USER MOD reduce.3.24.130724 H: found=0, std=0, add=1820, rem=0, adj=39 USER MOD reduce.3.24.130724 removed 1814 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: W 74 SER OG : rot 17:sc= 1.41 USER MOD Set 1.2: W 100 ASN : amide:sc= 0.0192 K(o=1.4,f=0.026!) USER MOD Set 2.1: W 21 TYR OH : rot 30:sc= -0.529 USER MOD Set 2.2: W 62 ASN : amide:sc= -0.59 X(o=-1.1,f=-0.85!) USER MOD Set 3.1: V 74 SER OG : rot 25:sc= 1.34 USER MOD Set 3.2: V 100 ASN : amide:sc= -0.014 K(o=1.3,f=0.29!) USER MOD Set 4.1: V 21 TYR OH : rot 80:sc= -0.374 USER MOD Set 4.2: V 62 ASN : amide:sc= -0.698 K(o=-1.1,f=-3!) USER MOD Single : V 11 HIS : no HD1:sc= 0 X(o=0,f=-0.14) USER MOD Single : V 12 HIS : no HD1:sc= -0.356 X(o=-0.36,f=-0.42) USER MOD Single : V 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : V 18 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : V 22 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : V 24 SER OG : rot -120:sc= 0.169 USER MOD Single : V 25 TYR OH : rot 180:sc= -0.0464 USER MOD Single : V 27 HIS :FLIP no HE2:sc= -0.525 F(o=-1.5,f=-0.53) USER MOD Single : V 31 THR OG1 : rot 180:sc= 0 USER MOD Single : V 37 GLN : amide:sc= -0.222 X(o=-0.22,f=0) USER MOD Single : V 39 TYR OH : rot 175:sc= 0.478 USER MOD Single : V 45 TYR OH : rot 180:sc= 0 USER MOD Single : V 48 LYS NZ :NH3+ 162:sc= -0.2 (180deg=-0.796) USER MOD Single : V 50 SER OG : rot 9:sc= 1.22 USER MOD Single : V 55 MET CE :methyl 160:sc= -0.197 (180deg=-0.454) USER MOD Single : V 71 THR OG1 : rot 180:sc= -1.13 USER MOD Single : V 75 ASN : amide:sc= -0.148 X(o=-0.15,f=-0.23) USER MOD Single : V 77 THR OG1 : rot 180:sc= 0 USER MOD Single : V 78 MET CE :methyl -160:sc= -1.9 (180deg=-2.77) USER MOD Single : V 79 GLN : amide:sc= -0.0535 K(o=-0.054,f=-0.79) USER MOD Single : V 81 MET CE :methyl -142:sc= -0.461 (180deg=-3.22!) USER MOD Single : V 84 LYS NZ :NH3+ -179:sc= 0.0955 (180deg=0.0915) USER MOD Single : V 86 HIS : no HD1:sc= -0.229 X(o=-0.23,f=0.02) USER MOD Single : V 87 GLN : amide:sc= -0.303 X(o=-0.3,f=-0.033) USER MOD Single : V 89 GLN : amide:sc= -0.0447 X(o=-0.045,f=0) USER MOD Single : V 90 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : V 94 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : V 95 SER OG : rot 180:sc= 0 USER MOD Single : V 98 GLN : amide:sc= -1.52 K(o=-1.5,f=-4.3) USER MOD Single : V 99 HIS : no HD1:sc= -1.85 X(o=-1.9,f=-1.4) USER MOD Single : V 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : V 107 LYS NZ :NH3+ -143:sc= 0 (180deg=-0.128) USER MOD Single : V 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : W 11 HIS : no HD1:sc= 0 X(o=0,f=-0.084) USER MOD Single : W 12 HIS : no HD1:sc= -0.223 X(o=-0.22,f=-0.4) USER MOD Single : W 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : W 18 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : W 22 GLN : amide:sc= -0.0208 X(o=-0.021,f=0) USER MOD Single : W 24 SER OG : rot -117:sc= 0.261 USER MOD Single : W 25 TYR OH : rot 180:sc= 0 USER MOD Single : W 27 HIS :FLIP no HE2:sc= -0.351 F(o=-1.4,f=-0.35) USER MOD Single : W 31 THR OG1 : rot 72:sc= 0.0718 USER MOD Single : W 37 GLN : amide:sc= -0.0777 X(o=-0.078,f=0) USER MOD Single : W 39 TYR OH : rot 165:sc= 0.461 USER MOD Single : W 45 TYR OH : rot 180:sc= 0 USER MOD Single : W 48 LYS NZ :NH3+ 163:sc= -0.361 (180deg=-0.881) USER MOD Single : W 50 SER OG : rot 11:sc= 1.29 USER MOD Single : W 55 MET CE :methyl -110:sc= -0.296 (180deg=-0.981) USER MOD Single : W 71 THR OG1 : rot 180:sc= -1.1 USER MOD Single : W 75 ASN : amide:sc= -0.168 X(o=-0.17,f=-0.23) USER MOD Single : W 77 THR OG1 : rot 180:sc= 0 USER MOD Single : W 78 MET CE :methyl -178:sc= -1.65 (180deg=-1.67) USER MOD Single : W 79 GLN : amide:sc= -0.0268 K(o=-0.027,f=-0.81) USER MOD Single : W 81 MET CE :methyl -137:sc= -0.894 (180deg=-2.75!) USER MOD Single : W 84 LYS NZ :NH3+ 180:sc= 0.217 (180deg=0.217) USER MOD Single : W 86 HIS : no HD1:sc= -0.246 X(o=-0.25,f=0.022) USER MOD Single : W 87 GLN : amide:sc= -0.232 X(o=-0.23,f=-0.019) USER MOD Single : W 89 GLN : amide:sc= -0.0273 X(o=-0.027,f=-0.46) USER MOD Single : W 90 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : W 94 MET CE :methyl -178:sc= 0 (180deg=-0.0102) USER MOD Single : W 95 SER OG : rot 180:sc= 0 USER MOD Single : W 98 GLN : amide:sc= -1.55 K(o=-1.6,f=-4.6) USER MOD Single : W 99 HIS :FLIP no HD1:sc= -1.2 F(o=-1.8,f=-1.2) USER MOD Single : W 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : W 107 LYS NZ :NH3+ -124:sc= 0 (180deg=-0.125) USER MOD Single : W 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 3 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : X 10 MET CE :methyl -175:sc= -0.212 (180deg=-0.28) USER MOD Single : Y 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : Y 3 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : Y 10 MET CE :methyl -178:sc= -0.509 (180deg=-0.528) USER MOD ----------------------------------------------------------------- ATOM 1 N HIS V 11 -25.243 4.964 17.799 1.00 0.00 N ATOM 2 CA HIS V 11 -24.144 4.924 16.794 1.00 0.00 C ATOM 3 C HIS V 11 -23.227 6.134 16.938 1.00 0.00 C ATOM 4 O HIS V 11 -23.506 7.045 17.717 1.00 0.00 O ATOM 5 CB HIS V 11 -24.751 4.883 15.387 1.00 0.00 C ATOM 6 CG HIS V 11 -25.295 3.541 15.007 1.00 0.00 C ATOM 7 ND1 HIS V 11 -26.336 2.932 15.676 1.00 0.00 N ATOM 8 CD2 HIS V 11 -24.936 2.685 14.019 1.00 0.00 C ATOM 9 CE1 HIS V 11 -26.592 1.762 15.119 1.00 0.00 C ATOM 10 NE2 HIS V 11 -25.758 1.589 14.112 1.00 0.00 N ATOM 0 HA HIS V 11 -23.544 4.030 16.962 1.00 0.00 H new ATOM 0 HB2 HIS V 11 -25.551 5.621 15.324 1.00 0.00 H new ATOM 0 HB3 HIS V 11 -23.990 5.175 14.664 1.00 0.00 H new ATOM 0 HD2 HIS V 11 -24.150 2.837 13.294 1.00 0.00 H new ATOM 0 HE1 HIS V 11 -27.355 1.065 15.435 1.00 0.00 H new ATOM 0 HE2 HIS V 11 -25.728 0.773 13.501 1.00 0.00 H new ATOM 20 N HIS V 12 -22.131 6.135 16.186 1.00 0.00 N ATOM 21 CA HIS V 12 -21.172 7.232 16.234 1.00 0.00 C ATOM 22 C HIS V 12 -21.685 8.444 15.464 1.00 0.00 C ATOM 23 O HIS V 12 -22.043 8.342 14.291 1.00 0.00 O ATOM 24 CB HIS V 12 -19.825 6.787 15.664 1.00 0.00 C ATOM 25 CG HIS V 12 -18.674 7.623 16.131 1.00 0.00 C ATOM 26 ND1 HIS V 12 -18.441 7.907 17.459 1.00 0.00 N ATOM 27 CD2 HIS V 12 -17.689 8.241 15.437 1.00 0.00 C ATOM 28 CE1 HIS V 12 -17.363 8.664 17.563 1.00 0.00 C ATOM 29 NE2 HIS V 12 -16.888 8.879 16.351 1.00 0.00 N ATOM 0 H HIS V 12 -21.885 5.388 15.536 1.00 0.00 H new ATOM 0 HA HIS V 12 -21.042 7.517 17.278 1.00 0.00 H new ATOM 0 HB2 HIS V 12 -19.646 5.749 15.943 1.00 0.00 H new ATOM 0 HB3 HIS V 12 -19.871 6.821 14.575 1.00 0.00 H new ATOM 0 HD2 HIS V 12 -17.558 8.233 14.365 1.00 0.00 H new ATOM 0 HE1 HIS V 12 -16.942 9.042 18.483 1.00 0.00 H new ATOM 0 HE2 HIS V 12 -16.059 9.430 16.129 1.00 0.00 H new ATOM 37 N GLU V 13 -21.714 9.592 16.132 1.00 39.25 N ATOM 38 CA GLU V 13 -22.176 10.829 15.515 1.00 36.85 C ATOM 39 C GLU V 13 -21.049 11.475 14.695 1.00 35.98 C ATOM 40 O GLU V 13 -20.066 10.811 14.363 1.00 37.72 O ATOM 41 CB GLU V 13 -22.692 11.788 16.595 1.00 40.98 C ATOM 42 CG GLU V 13 -23.982 12.495 16.212 1.00 52.61 C ATOM 43 CD GLU V 13 -24.836 12.850 17.414 1.00 68.32 C ATOM 44 OE1 GLU V 13 -24.327 13.541 18.320 1.00 74.53 O ATOM 45 OE2 GLU V 13 -26.016 12.440 17.447 1.00 72.77 O ATOM 0 H GLU V 13 -21.422 9.691 17.104 1.00 39.25 H new ATOM 0 HA GLU V 13 -22.996 10.603 14.833 1.00 36.85 H new ATOM 0 HB2 GLU V 13 -22.853 11.231 17.518 1.00 40.98 H new ATOM 0 HB3 GLU V 13 -21.926 12.535 16.803 1.00 40.98 H new ATOM 0 HG2 GLU V 13 -23.743 13.404 15.661 1.00 52.61 H new ATOM 0 HG3 GLU V 13 -24.556 11.856 15.540 1.00 52.61 H new ATOM 52 N VAL V 14 -21.198 12.761 14.364 1.00 31.23 N ATOM 53 CA VAL V 14 -20.188 13.477 13.576 1.00 28.23 C ATOM 54 C VAL V 14 -18.825 13.458 14.270 1.00 27.93 C ATOM 55 O VAL V 14 -18.703 13.839 15.435 1.00 28.07 O ATOM 56 CB VAL V 14 -20.601 14.947 13.319 1.00 29.48 C ATOM 57 CG1 VAL V 14 -19.664 15.605 12.314 1.00 22.12 C ATOM 58 CG2 VAL V 14 -22.042 15.031 12.834 1.00 31.96 C ATOM 0 H VAL V 14 -22.005 13.327 14.628 1.00 31.23 H new ATOM 0 HA VAL V 14 -20.114 12.957 12.621 1.00 28.23 H new ATOM 0 HB VAL V 14 -20.526 15.485 14.264 1.00 29.48 H new ATOM 0 HG11 VAL V 14 -19.974 16.637 12.149 1.00 22.12 H new ATOM 0 HG12 VAL V 14 -18.645 15.589 12.702 1.00 22.12 H new ATOM 0 HG13 VAL V 14 -19.701 15.060 11.371 1.00 22.12 H new ATOM 0 HG21 VAL V 14 -22.307 16.074 12.661 1.00 31.96 H new ATOM 0 HG22 VAL V 14 -22.146 14.471 11.905 1.00 31.96 H new ATOM 0 HG23 VAL V 14 -22.705 14.608 13.589 1.00 31.96 H new ATOM 68 N VAL V 15 -17.800 13.014 13.543 1.00 23.48 N ATOM 69 CA VAL V 15 -16.445 12.945 14.085 1.00 20.20 C ATOM 70 C VAL V 15 -15.796 14.328 14.110 1.00 23.59 C ATOM 71 O VAL V 15 -16.208 15.232 13.382 1.00 21.68 O ATOM 72 CB VAL V 15 -15.552 11.983 13.266 1.00 18.05 C ATOM 73 CG1 VAL V 15 -14.218 11.757 13.963 1.00 17.78 C ATOM 74 CG2 VAL V 15 -16.260 10.655 13.032 1.00 24.83 C ATOM 0 H VAL V 15 -17.883 12.697 12.577 1.00 23.48 H new ATOM 0 HA VAL V 15 -16.531 12.564 15.103 1.00 20.20 H new ATOM 0 HB VAL V 15 -15.360 12.446 12.298 1.00 18.05 H new ATOM 0 HG11 VAL V 15 -13.607 11.077 13.368 1.00 17.78 H new ATOM 0 HG12 VAL V 15 -13.699 12.709 14.073 1.00 17.78 H new ATOM 0 HG13 VAL V 15 -14.391 11.322 14.947 1.00 17.78 H new ATOM 0 HG21 VAL V 15 -15.613 9.995 12.454 1.00 24.83 H new ATOM 0 HG22 VAL V 15 -16.489 10.191 13.991 1.00 24.83 H new ATOM 0 HG23 VAL V 15 -17.186 10.828 12.483 1.00 24.83 H new ATOM 84 N LYS V 16 -14.781 14.487 14.954 1.00 21.21 N ATOM 85 CA LYS V 16 -14.075 15.760 15.077 1.00 21.98 C ATOM 86 C LYS V 16 -13.090 15.957 13.922 1.00 20.97 C ATOM 87 O LYS V 16 -12.372 15.033 13.546 1.00 18.49 O ATOM 88 CB LYS V 16 -13.332 15.824 16.412 1.00 27.51 C ATOM 89 CG LYS V 16 -14.256 15.961 17.611 1.00 31.73 C ATOM 90 CD LYS V 16 -13.477 16.010 18.916 1.00 39.99 C ATOM 91 CE LYS V 16 -14.378 16.366 20.089 1.00 44.14 C ATOM 92 NZ LYS V 16 -13.633 16.374 21.378 1.00 39.75 N ATOM 0 H LYS V 16 -14.428 13.750 15.564 1.00 21.21 H new ATOM 0 HA LYS V 16 -14.813 16.561 15.038 1.00 21.98 H new ATOM 0 HB2 LYS V 16 -12.730 14.923 16.528 1.00 27.51 H new ATOM 0 HB3 LYS V 16 -12.643 16.668 16.396 1.00 27.51 H new ATOM 0 HG2 LYS V 16 -14.853 16.867 17.509 1.00 31.73 H new ATOM 0 HG3 LYS V 16 -14.951 15.122 17.633 1.00 31.73 H new ATOM 0 HD2 LYS V 16 -13.007 15.043 19.097 1.00 39.99 H new ATOM 0 HD3 LYS V 16 -12.675 16.744 18.835 1.00 39.99 H new ATOM 0 HE2 LYS V 16 -14.823 17.347 19.921 1.00 44.14 H new ATOM 0 HE3 LYS V 16 -15.198 15.650 20.148 1.00 44.14 H new ATOM 0 HZ1 LYS V 16 -14.282 16.621 22.152 1.00 39.75 H new ATOM 0 HZ2 LYS V 16 -13.230 15.431 21.552 1.00 39.75 H new ATOM 0 HZ3 LYS V 16 -12.867 17.075 21.332 1.00 39.75 H new ATOM 106 N PHE V 17 -13.073 17.171 13.369 1.00 16.83 N ATOM 107 CA PHE V 17 -12.186 17.516 12.253 1.00 19.34 C ATOM 108 C PHE V 17 -10.714 17.221 12.595 1.00 19.03 C ATOM 109 O PHE V 17 -10.038 16.477 11.880 1.00 17.02 O ATOM 110 CB PHE V 17 -12.395 19.003 11.883 1.00 20.45 C ATOM 111 CG PHE V 17 -11.418 19.560 10.880 1.00 15.56 C ATOM 112 CD1 PHE V 17 -11.110 18.861 9.730 1.00 16.77 C ATOM 113 CD2 PHE V 17 -10.809 20.788 11.098 1.00 18.99 C ATOM 114 CE1 PHE V 17 -10.208 19.367 8.814 1.00 14.17 C ATOM 115 CE2 PHE V 17 -9.908 21.302 10.187 1.00 23.93 C ATOM 116 CZ PHE V 17 -9.606 20.591 9.042 1.00 18.97 C ATOM 0 H PHE V 17 -13.669 17.939 13.678 1.00 16.83 H new ATOM 0 HA PHE V 17 -12.436 16.897 11.392 1.00 19.34 H new ATOM 0 HB2 PHE V 17 -13.404 19.124 11.489 1.00 20.45 H new ATOM 0 HB3 PHE V 17 -12.335 19.599 12.794 1.00 20.45 H new ATOM 0 HD1 PHE V 17 -11.580 17.907 9.544 1.00 16.77 H new ATOM 0 HD2 PHE V 17 -11.043 21.348 11.991 1.00 18.99 H new ATOM 0 HE1 PHE V 17 -9.973 18.807 7.921 1.00 14.17 H new ATOM 0 HE2 PHE V 17 -9.440 22.258 10.369 1.00 23.93 H new ATOM 0 HZ PHE V 17 -8.902 20.990 8.327 1.00 18.97 H new ATOM 126 N MET V 18 -10.224 17.811 13.681 1.00 20.51 N ATOM 127 CA MET V 18 -8.837 17.621 14.110 1.00 19.57 C ATOM 128 C MET V 18 -8.490 16.142 14.319 1.00 17.54 C ATOM 129 O MET V 18 -7.319 15.759 14.258 1.00 18.06 O ATOM 130 CB MET V 18 -8.579 18.399 15.402 1.00 22.25 C ATOM 131 CG MET V 18 -7.148 18.891 15.539 1.00 28.38 C ATOM 132 SD MET V 18 -6.720 20.137 14.309 1.00 33.32 S ATOM 133 CE MET V 18 -5.160 20.732 14.956 1.00 28.65 C ATOM 0 H MET V 18 -10.768 18.428 14.284 1.00 20.51 H new ATOM 0 HA MET V 18 -8.197 17.999 13.313 1.00 19.57 H new ATOM 0 HB2 MET V 18 -9.254 19.254 15.443 1.00 22.25 H new ATOM 0 HB3 MET V 18 -8.819 17.763 16.254 1.00 22.25 H new ATOM 0 HG2 MET V 18 -7.005 19.307 16.536 1.00 28.38 H new ATOM 0 HG3 MET V 18 -6.467 18.045 15.446 1.00 28.38 H new ATOM 0 HE1 MET V 18 -4.768 21.510 14.301 1.00 28.65 H new ATOM 0 HE2 MET V 18 -5.313 21.141 15.955 1.00 28.65 H new ATOM 0 HE3 MET V 18 -4.449 19.908 15.006 1.00 28.65 H new ATOM 143 N ASP V 19 -9.502 15.314 14.577 1.00 19.73 N ATOM 144 CA ASP V 19 -9.287 13.885 14.801 1.00 19.98 C ATOM 145 C ASP V 19 -9.187 13.122 13.482 1.00 17.84 C ATOM 146 O ASP V 19 -8.438 12.150 13.373 1.00 18.61 O ATOM 147 CB ASP V 19 -10.425 13.305 15.642 1.00 21.13 C ATOM 148 CG ASP V 19 -9.982 12.124 16.482 1.00 31.76 C ATOM 149 OD1 ASP V 19 -9.063 12.295 17.310 1.00 40.49 O ATOM 150 OD2 ASP V 19 -10.553 11.026 16.311 1.00 36.40 O ATOM 0 H ASP V 19 -10.477 15.608 14.636 1.00 19.73 H new ATOM 0 HA ASP V 19 -8.343 13.773 15.335 1.00 19.98 H new ATOM 0 HB2 ASP V 19 -10.823 14.082 16.295 1.00 21.13 H new ATOM 0 HB3 ASP V 19 -11.237 12.995 14.984 1.00 21.13 H new ATOM 155 N VAL V 20 -9.951 13.563 12.484 1.00 15.39 N ATOM 156 CA VAL V 20 -9.950 12.912 11.176 1.00 15.59 C ATOM 157 C VAL V 20 -8.596 13.064 10.485 1.00 15.95 C ATOM 158 O VAL V 20 -8.152 12.172 9.763 1.00 15.11 O ATOM 159 CB VAL V 20 -11.048 13.477 10.245 1.00 15.70 C ATOM 160 CG1 VAL V 20 -11.205 12.591 9.017 1.00 17.37 C ATOM 161 CG2 VAL V 20 -12.378 13.620 10.982 1.00 20.97 C ATOM 0 H VAL V 20 -10.576 14.366 12.556 1.00 15.39 H new ATOM 0 HA VAL V 20 -10.153 11.857 11.360 1.00 15.59 H new ATOM 0 HB VAL V 20 -10.741 14.471 9.921 1.00 15.70 H new ATOM 0 HG11 VAL V 20 -11.981 13.000 8.370 1.00 17.37 H new ATOM 0 HG12 VAL V 20 -10.261 12.553 8.473 1.00 17.37 H new ATOM 0 HG13 VAL V 20 -11.485 11.585 9.328 1.00 17.37 H new ATOM 0 HG21 VAL V 20 -13.130 14.019 10.301 1.00 20.97 H new ATOM 0 HG22 VAL V 20 -12.699 12.644 11.345 1.00 20.97 H new ATOM 0 HG23 VAL V 20 -12.255 14.299 11.826 1.00 20.97 H new ATOM 171 N TYR V 21 -7.950 14.204 10.708 1.00 15.82 N ATOM 172 CA TYR V 21 -6.650 14.485 10.106 1.00 16.35 C ATOM 173 C TYR V 21 -5.523 13.772 10.860 1.00 17.15 C ATOM 174 O TYR V 21 -4.641 13.166 10.251 1.00 17.55 O ATOM 175 CB TYR V 21 -6.410 16.003 10.089 1.00 14.90 C ATOM 176 CG TYR V 21 -5.060 16.421 9.542 1.00 17.98 C ATOM 177 CD1 TYR V 21 -3.957 16.530 10.379 1.00 19.57 C ATOM 178 CD2 TYR V 21 -4.888 16.711 8.192 1.00 18.30 C ATOM 179 CE1 TYR V 21 -2.722 16.913 9.889 1.00 19.38 C ATOM 180 CE2 TYR V 21 -3.655 17.094 7.695 1.00 20.04 C ATOM 181 CZ TYR V 21 -2.576 17.192 8.548 1.00 20.14 C ATOM 182 OH TYR V 21 -1.346 17.569 8.058 1.00 24.48 O ATOM 0 H TYR V 21 -8.307 14.951 11.304 1.00 15.82 H new ATOM 0 HA TYR V 21 -6.652 14.108 9.083 1.00 16.35 H new ATOM 0 HB2 TYR V 21 -7.191 16.475 9.493 1.00 14.90 H new ATOM 0 HB3 TYR V 21 -6.510 16.385 11.105 1.00 14.90 H new ATOM 0 HD1 TYR V 21 -4.066 16.312 11.431 1.00 19.57 H new ATOM 0 HD2 TYR V 21 -5.731 16.636 7.521 1.00 18.30 H new ATOM 0 HE1 TYR V 21 -1.875 16.993 10.555 1.00 19.38 H new ATOM 0 HE2 TYR V 21 -3.538 17.315 6.644 1.00 20.04 H new ATOM 0 HH TYR V 21 -0.787 16.774 7.931 1.00 24.48 H new ATOM 192 N GLN V 22 -5.556 13.856 12.186 1.00 21.25 N ATOM 193 CA GLN V 22 -4.535 13.232 13.025 1.00 21.83 C ATOM 194 C GLN V 22 -4.471 11.718 12.826 1.00 21.26 C ATOM 195 O GLN V 22 -3.405 11.114 12.962 1.00 21.66 O ATOM 196 CB GLN V 22 -4.799 13.549 14.497 1.00 20.12 C ATOM 197 CG GLN V 22 -3.533 13.642 15.335 1.00 29.07 C ATOM 198 CD GLN V 22 -3.303 12.414 16.198 1.00 35.92 C ATOM 199 OE1 GLN V 22 -3.988 12.206 17.199 1.00 41.94 O ATOM 200 NE2 GLN V 22 -2.329 11.594 15.816 1.00 32.99 N ATOM 0 H GLN V 22 -6.281 14.351 12.706 1.00 21.25 H new ATOM 0 HA GLN V 22 -3.572 13.646 12.725 1.00 21.83 H new ATOM 0 HB2 GLN V 22 -5.341 14.492 14.566 1.00 20.12 H new ATOM 0 HB3 GLN V 22 -5.446 12.779 14.916 1.00 20.12 H new ATOM 0 HG2 GLN V 22 -2.676 13.782 14.676 1.00 29.07 H new ATOM 0 HG3 GLN V 22 -3.590 14.523 15.974 1.00 29.07 H new ATOM 0 HE21 GLN V 22 -1.785 11.804 14.979 1.00 32.99 H new ATOM 0 HE22 GLN V 22 -2.126 10.755 16.360 1.00 32.99 H new ATOM 209 N ARG V 23 -5.612 11.107 12.524 1.00 19.65 N ATOM 210 CA ARG V 23 -5.677 9.658 12.330 1.00 18.18 C ATOM 211 C ARG V 23 -5.542 9.254 10.857 1.00 18.60 C ATOM 212 O ARG V 23 -5.233 8.101 10.558 1.00 17.54 O ATOM 213 CB ARG V 23 -6.994 9.117 12.892 1.00 15.72 C ATOM 214 CG ARG V 23 -7.113 9.258 14.402 1.00 20.43 C ATOM 215 CD ARG V 23 -8.490 8.843 14.898 1.00 20.55 C ATOM 216 NE ARG V 23 -8.606 7.392 15.050 1.00 26.44 N ATOM 217 CZ ARG V 23 -8.123 6.700 16.086 1.00 33.47 C ATOM 218 NH1 ARG V 23 -7.480 7.310 17.080 1.00 34.04 N ATOM 219 NH2 ARG V 23 -8.283 5.385 16.129 1.00 31.59 N ATOM 0 H ARG V 23 -6.503 11.589 12.408 1.00 19.65 H new ATOM 0 HA ARG V 23 -4.832 9.225 12.865 1.00 18.18 H new ATOM 0 HB2 ARG V 23 -7.824 9.642 12.420 1.00 15.72 H new ATOM 0 HB3 ARG V 23 -7.089 8.065 12.625 1.00 15.72 H new ATOM 0 HG2 ARG V 23 -6.352 8.646 14.886 1.00 20.43 H new ATOM 0 HG3 ARG V 23 -6.919 10.292 14.688 1.00 20.43 H new ATOM 0 HD2 ARG V 23 -8.690 9.325 15.855 1.00 20.55 H new ATOM 0 HD3 ARG V 23 -9.248 9.196 14.199 1.00 20.55 H new ATOM 0 HE ARG V 23 -9.088 6.874 14.315 1.00 26.44 H new ATOM 0 HH11 ARG V 23 -7.350 8.321 17.058 1.00 34.04 H new ATOM 0 HH12 ARG V 23 -7.118 6.766 17.863 1.00 34.04 H new ATOM 0 HH21 ARG V 23 -8.773 4.906 15.373 1.00 31.59 H new ATOM 0 HH22 ARG V 23 -7.916 4.852 16.918 1.00 31.59 H new ATOM 233 N SER V 24 -5.791 10.190 9.938 1.00 17.48 N ATOM 234 CA SER V 24 -5.712 9.893 8.506 1.00 16.14 C ATOM 235 C SER V 24 -4.328 10.206 7.913 1.00 17.00 C ATOM 236 O SER V 24 -3.967 9.664 6.869 1.00 15.84 O ATOM 237 CB SER V 24 -6.787 10.681 7.754 1.00 18.15 C ATOM 238 OG SER V 24 -6.483 12.064 7.733 1.00 21.05 O ATOM 0 H SER V 24 -6.047 11.153 10.157 1.00 17.48 H new ATOM 0 HA SER V 24 -5.879 8.822 8.389 1.00 16.14 H new ATOM 0 HB2 SER V 24 -6.869 10.308 6.733 1.00 18.15 H new ATOM 0 HB3 SER V 24 -7.756 10.525 8.229 1.00 18.15 H new ATOM 0 HG SER V 24 -7.203 12.564 8.172 1.00 21.05 H new ATOM 244 N TYR V 25 -3.566 11.083 8.567 1.00 16.27 N ATOM 245 CA TYR V 25 -2.229 11.462 8.084 1.00 15.57 C ATOM 246 C TYR V 25 -1.322 10.235 7.900 1.00 17.47 C ATOM 247 O TYR V 25 -1.269 9.352 8.759 1.00 18.54 O ATOM 248 CB TYR V 25 -1.592 12.459 9.061 1.00 17.47 C ATOM 249 CG TYR V 25 -0.225 12.958 8.639 1.00 19.96 C ATOM 250 CD1 TYR V 25 -0.044 13.626 7.432 1.00 26.02 C ATOM 251 CD2 TYR V 25 0.885 12.764 9.452 1.00 23.64 C ATOM 252 CE1 TYR V 25 1.204 14.083 7.049 1.00 26.06 C ATOM 253 CE2 TYR V 25 2.135 13.219 9.075 1.00 26.28 C ATOM 254 CZ TYR V 25 2.288 13.877 7.873 1.00 28.77 C ATOM 255 OH TYR V 25 3.533 14.328 7.495 1.00 29.63 O ATOM 0 H TYR V 25 -3.847 11.546 9.431 1.00 16.27 H new ATOM 0 HA TYR V 25 -2.341 11.932 7.107 1.00 15.57 H new ATOM 0 HB2 TYR V 25 -2.259 13.314 9.176 1.00 17.47 H new ATOM 0 HB3 TYR V 25 -1.507 11.987 10.040 1.00 17.47 H new ATOM 0 HD1 TYR V 25 -0.892 13.790 6.784 1.00 26.02 H new ATOM 0 HD2 TYR V 25 0.769 12.249 10.394 1.00 23.64 H new ATOM 0 HE1 TYR V 25 1.328 14.599 6.108 1.00 26.06 H new ATOM 0 HE2 TYR V 25 2.987 13.060 9.719 1.00 26.28 H new ATOM 0 HH TYR V 25 4.187 14.103 8.189 1.00 29.63 H new ATOM 265 N CYS V 26 -0.603 10.197 6.763 1.00 18.76 N ATOM 266 CA CYS V 26 0.323 9.093 6.404 1.00 19.28 C ATOM 267 C CYS V 26 1.119 8.546 7.605 1.00 20.07 C ATOM 268 O CYS V 26 2.022 9.201 8.122 1.00 21.15 O ATOM 269 CB CYS V 26 1.290 9.586 5.314 1.00 21.88 C ATOM 270 SG CYS V 26 2.527 8.363 4.751 1.00 24.02 S ATOM 0 H CYS V 26 -0.645 10.934 6.059 1.00 18.76 H new ATOM 0 HA CYS V 26 -0.286 8.266 6.039 1.00 19.28 H new ATOM 0 HB2 CYS V 26 0.705 9.909 4.453 1.00 21.88 H new ATOM 0 HB3 CYS V 26 1.816 10.464 5.689 1.00 21.88 H new ATOM 275 N HIS V 27 0.769 7.329 8.029 1.00 15.69 N ATOM 276 CA HIS V 27 1.433 6.673 9.155 1.00 18.39 C ATOM 277 C HIS V 27 1.270 5.150 9.060 1.00 18.67 C ATOM 278 O HIS V 27 0.465 4.670 8.261 1.00 18.98 O ATOM 279 CB HIS V 27 0.857 7.181 10.479 1.00 18.57 C ATOM 280 CG HIS V 27 -0.628 7.017 10.591 1.00 18.27 C ATOM 281 ND1 HIS V 27 -1.525 6.444 9.752 1.00 17.95 N flip ATOM 282 CD2 HIS V 27 -1.356 7.472 11.671 1.00 16.28 C flip ATOM 283 CE1 HIS V 27 -2.762 6.562 10.336 1.00 17.23 C flip ATOM 284 NE2 HIS V 27 -2.634 7.185 11.492 1.00 18.25 N flip ATOM 0 H HIS V 27 0.024 6.776 7.605 1.00 15.69 H new ATOM 0 HA HIS V 27 2.495 6.914 9.117 1.00 18.39 H new ATOM 0 HB2 HIS V 27 1.336 6.649 11.301 1.00 18.57 H new ATOM 0 HB3 HIS V 27 1.107 8.236 10.593 1.00 18.57 H new ATOM 0 HD1 HIS V 27 -1.319 6.006 8.854 1.00 17.95 H new ATOM 0 HD2 HIS V 27 -0.946 7.983 12.529 1.00 16.28 H new ATOM 0 HE1 HIS V 27 -3.690 6.203 9.917 1.00 17.23 H new ATOM 292 N PRO V 28 2.024 4.356 9.859 1.00 18.40 N ATOM 293 CA PRO V 28 1.926 2.892 9.818 1.00 21.42 C ATOM 294 C PRO V 28 0.608 2.381 10.398 1.00 17.80 C ATOM 295 O PRO V 28 0.217 2.750 11.506 1.00 17.60 O ATOM 296 CB PRO V 28 3.121 2.412 10.666 1.00 22.86 C ATOM 297 CG PRO V 28 3.965 3.622 10.894 1.00 22.30 C ATOM 298 CD PRO V 28 3.027 4.794 10.847 1.00 21.24 C ATOM 0 HA PRO V 28 1.948 2.516 8.795 1.00 21.42 H new ATOM 0 HB2 PRO V 28 2.785 1.985 11.611 1.00 22.86 H new ATOM 0 HB3 PRO V 28 3.682 1.635 10.147 1.00 22.86 H new ATOM 0 HG2 PRO V 28 4.474 3.567 11.856 1.00 22.30 H new ATOM 0 HG3 PRO V 28 4.737 3.709 10.130 1.00 22.30 H new ATOM 0 HD2 PRO V 28 2.578 4.995 11.820 1.00 21.24 H new ATOM 0 HD3 PRO V 28 3.533 5.707 10.535 1.00 21.24 H new ATOM 306 N ILE V 29 -0.076 1.528 9.637 1.00 17.13 N ATOM 307 CA ILE V 29 -1.350 0.961 10.065 1.00 17.66 C ATOM 308 C ILE V 29 -1.426 -0.524 9.705 1.00 16.33 C ATOM 309 O ILE V 29 -0.792 -0.973 8.749 1.00 17.06 O ATOM 310 CB ILE V 29 -2.544 1.726 9.437 1.00 21.25 C ATOM 311 CG1 ILE V 29 -3.877 1.199 9.975 1.00 17.85 C ATOM 312 CG2 ILE V 29 -2.508 1.638 7.917 1.00 18.95 C ATOM 313 CD1 ILE V 29 -5.033 2.157 9.764 1.00 21.81 C ATOM 0 H ILE V 29 0.234 1.214 8.717 1.00 17.13 H new ATOM 0 HA ILE V 29 -1.412 1.064 11.148 1.00 17.66 H new ATOM 0 HB ILE V 29 -2.454 2.775 9.720 1.00 21.25 H new ATOM 0 HG12 ILE V 29 -4.107 0.251 9.489 1.00 17.85 H new ATOM 0 HG13 ILE V 29 -3.775 0.994 11.041 1.00 17.85 H new ATOM 0 HG21 ILE V 29 -3.356 2.182 7.501 1.00 18.95 H new ATOM 0 HG22 ILE V 29 -1.580 2.075 7.549 1.00 18.95 H new ATOM 0 HG23 ILE V 29 -2.563 0.593 7.612 1.00 18.95 H new ATOM 0 HD11 ILE V 29 -5.946 1.720 10.169 1.00 21.81 H new ATOM 0 HD12 ILE V 29 -4.824 3.098 10.274 1.00 21.81 H new ATOM 0 HD13 ILE V 29 -5.162 2.343 8.698 1.00 21.81 H new ATOM 325 N GLU V 30 -2.185 -1.287 10.488 1.00 16.71 N ATOM 326 CA GLU V 30 -2.326 -2.723 10.258 1.00 18.33 C ATOM 327 C GLU V 30 -3.000 -3.002 8.918 1.00 17.12 C ATOM 328 O GLU V 30 -4.134 -2.581 8.683 1.00 18.34 O ATOM 329 CB GLU V 30 -3.132 -3.361 11.391 1.00 19.14 C ATOM 330 CG GLU V 30 -2.928 -4.863 11.507 1.00 25.02 C ATOM 331 CD GLU V 30 -1.638 -5.221 12.219 1.00 30.60 C ATOM 332 OE1 GLU V 30 -1.445 -4.762 13.365 1.00 31.09 O ATOM 333 OE2 GLU V 30 -0.820 -5.959 11.630 1.00 36.19 O ATOM 0 H GLU V 30 -2.712 -0.935 11.287 1.00 16.71 H new ATOM 0 HA GLU V 30 -1.328 -3.161 10.235 1.00 18.33 H new ATOM 0 HB2 GLU V 30 -2.854 -2.890 12.334 1.00 19.14 H new ATOM 0 HB3 GLU V 30 -4.191 -3.157 11.233 1.00 19.14 H new ATOM 0 HG2 GLU V 30 -3.769 -5.300 12.045 1.00 25.02 H new ATOM 0 HG3 GLU V 30 -2.923 -5.304 10.510 1.00 25.02 H new ATOM 340 N THR V 31 -2.300 -3.723 8.046 1.00 16.42 N ATOM 341 CA THR V 31 -2.832 -4.063 6.729 1.00 16.04 C ATOM 342 C THR V 31 -2.464 -5.491 6.335 1.00 18.40 C ATOM 343 O THR V 31 -1.324 -5.922 6.512 1.00 20.25 O ATOM 344 CB THR V 31 -2.308 -3.085 5.674 1.00 19.23 C ATOM 345 OG1 THR V 31 -2.464 -1.748 6.110 1.00 19.83 O ATOM 346 CG2 THR V 31 -3.008 -3.215 4.337 1.00 17.46 C ATOM 0 H THR V 31 -1.363 -4.083 8.227 1.00 16.42 H new ATOM 0 HA THR V 31 -3.918 -3.990 6.781 1.00 16.04 H new ATOM 0 HB THR V 31 -1.256 -3.338 5.542 1.00 19.23 H new ATOM 0 HG1 THR V 31 -2.122 -1.138 5.423 1.00 19.83 H new ATOM 0 HG21 THR V 31 -2.589 -2.494 3.635 1.00 17.46 H new ATOM 0 HG22 THR V 31 -2.866 -4.224 3.949 1.00 17.46 H new ATOM 0 HG23 THR V 31 -4.073 -3.021 4.464 1.00 17.46 H new ATOM 354 N LEU V 32 -3.437 -6.216 5.791 1.00 21.87 N ATOM 355 CA LEU V 32 -3.221 -7.595 5.358 1.00 21.64 C ATOM 356 C LEU V 32 -2.720 -7.626 3.915 1.00 26.90 C ATOM 357 O LEU V 32 -3.298 -6.985 3.039 1.00 29.41 O ATOM 358 CB LEU V 32 -4.513 -8.405 5.487 1.00 20.94 C ATOM 359 CG LEU V 32 -4.821 -8.897 6.902 1.00 25.03 C ATOM 360 CD1 LEU V 32 -6.284 -9.293 7.025 1.00 29.99 C ATOM 361 CD2 LEU V 32 -3.919 -10.068 7.265 1.00 29.72 C ATOM 0 H LEU V 32 -4.385 -5.872 5.639 1.00 21.87 H new ATOM 0 HA LEU V 32 -2.464 -8.044 6.001 1.00 21.64 H new ATOM 0 HB2 LEU V 32 -5.346 -7.793 5.141 1.00 20.94 H new ATOM 0 HB3 LEU V 32 -4.453 -9.267 4.822 1.00 20.94 H new ATOM 0 HG LEU V 32 -4.628 -8.082 7.599 1.00 25.03 H new ATOM 0 HD11 LEU V 32 -6.483 -9.640 8.039 1.00 29.99 H new ATOM 0 HD12 LEU V 32 -6.914 -8.431 6.807 1.00 29.99 H new ATOM 0 HD13 LEU V 32 -6.505 -10.092 6.318 1.00 29.99 H new ATOM 0 HD21 LEU V 32 -4.151 -10.406 8.275 1.00 29.72 H new ATOM 0 HD22 LEU V 32 -4.083 -10.885 6.562 1.00 29.72 H new ATOM 0 HD23 LEU V 32 -2.877 -9.753 7.218 1.00 29.72 H new ATOM 373 N VAL V 33 -1.638 -8.366 3.677 1.00 29.03 N ATOM 374 CA VAL V 33 -1.055 -8.470 2.339 1.00 26.45 C ATOM 375 C VAL V 33 -1.196 -9.884 1.779 1.00 24.55 C ATOM 376 O VAL V 33 -0.994 -10.867 2.492 1.00 23.03 O ATOM 377 CB VAL V 33 0.443 -8.084 2.338 1.00 23.07 C ATOM 378 CG1 VAL V 33 0.977 -7.972 0.915 1.00 19.35 C ATOM 379 CG2 VAL V 33 0.673 -6.780 3.093 1.00 25.49 C ATOM 0 H VAL V 33 -1.147 -8.902 4.392 1.00 29.03 H new ATOM 0 HA VAL V 33 -1.606 -7.772 1.708 1.00 26.45 H new ATOM 0 HB VAL V 33 0.988 -8.877 2.849 1.00 23.07 H new ATOM 0 HG11 VAL V 33 2.032 -7.700 0.943 1.00 19.35 H new ATOM 0 HG12 VAL V 33 0.863 -8.930 0.407 1.00 19.35 H new ATOM 0 HG13 VAL V 33 0.419 -7.207 0.376 1.00 19.35 H new ATOM 0 HG21 VAL V 33 1.734 -6.532 3.077 1.00 25.49 H new ATOM 0 HG22 VAL V 33 0.106 -5.979 2.618 1.00 25.49 H new ATOM 0 HG23 VAL V 33 0.343 -6.894 4.126 1.00 25.49 H new ATOM 389 N ASP V 34 -1.542 -9.974 0.497 1.00 27.04 N ATOM 390 CA ASP V 34 -1.703 -11.263 -0.166 1.00 28.71 C ATOM 391 C ASP V 34 -0.342 -11.853 -0.520 1.00 25.48 C ATOM 392 O ASP V 34 0.528 -11.155 -1.044 1.00 24.33 O ATOM 393 CB ASP V 34 -2.553 -11.107 -1.429 1.00 35.64 C ATOM 394 CG ASP V 34 -3.332 -12.364 -1.763 1.00 48.43 C ATOM 395 OD1 ASP V 34 -4.394 -12.587 -1.144 1.00 58.30 O ATOM 396 OD2 ASP V 34 -2.881 -13.124 -2.645 1.00 51.55 O ATOM 0 H ASP V 34 -1.716 -9.168 -0.103 1.00 27.04 H new ATOM 0 HA ASP V 34 -2.211 -11.943 0.518 1.00 28.71 H new ATOM 0 HB2 ASP V 34 -3.248 -10.278 -1.296 1.00 35.64 H new ATOM 0 HB3 ASP V 34 -1.907 -10.850 -2.268 1.00 35.64 H new ATOM 401 N ILE V 35 -0.160 -13.139 -0.233 1.00 23.60 N ATOM 402 CA ILE V 35 1.101 -13.814 -0.523 1.00 25.58 C ATOM 403 C ILE V 35 1.339 -13.877 -2.031 1.00 31.22 C ATOM 404 O ILE V 35 2.454 -13.661 -2.504 1.00 33.35 O ATOM 405 CB ILE V 35 1.136 -15.247 0.074 1.00 21.03 C ATOM 406 CG1 ILE V 35 0.799 -15.220 1.569 1.00 17.90 C ATOM 407 CG2 ILE V 35 2.500 -15.893 -0.135 1.00 22.78 C ATOM 408 CD1 ILE V 35 0.445 -16.582 2.128 1.00 23.95 C ATOM 0 H ILE V 35 -0.868 -13.733 0.199 1.00 23.60 H new ATOM 0 HA ILE V 35 1.896 -13.233 -0.055 1.00 25.58 H new ATOM 0 HB ILE V 35 0.385 -15.841 -0.448 1.00 21.03 H new ATOM 0 HG12 ILE V 35 1.650 -14.819 2.119 1.00 17.90 H new ATOM 0 HG13 ILE V 35 -0.036 -14.539 1.734 1.00 17.90 H new ATOM 0 HG21 ILE V 35 2.497 -16.896 0.292 1.00 22.78 H new ATOM 0 HG22 ILE V 35 2.714 -15.954 -1.202 1.00 22.78 H new ATOM 0 HG23 ILE V 35 3.266 -15.292 0.355 1.00 22.78 H new ATOM 0 HD11 ILE V 35 0.217 -16.491 3.190 1.00 23.95 H new ATOM 0 HD12 ILE V 35 -0.425 -16.976 1.603 1.00 23.95 H new ATOM 0 HD13 ILE V 35 1.288 -17.260 1.994 1.00 23.95 H new ATOM 420 N PHE V 36 0.280 -14.163 -2.782 1.00 33.36 N ATOM 421 CA PHE V 36 0.370 -14.245 -4.237 1.00 38.26 C ATOM 422 C PHE V 36 0.777 -12.897 -4.849 1.00 39.05 C ATOM 423 O PHE V 36 1.354 -12.854 -5.934 1.00 42.04 O ATOM 424 CB PHE V 36 -0.975 -14.716 -4.827 1.00 41.69 C ATOM 425 CG PHE V 36 -1.175 -16.225 -4.924 1.00 53.59 C ATOM 426 CD1 PHE V 36 -0.334 -17.139 -4.281 1.00 58.79 C ATOM 427 CD2 PHE V 36 -2.233 -16.725 -5.670 1.00 58.41 C ATOM 428 CE1 PHE V 36 -0.554 -18.503 -4.389 1.00 57.95 C ATOM 429 CE2 PHE V 36 -2.453 -18.088 -5.776 1.00 62.31 C ATOM 430 CZ PHE V 36 -1.614 -18.976 -5.137 1.00 60.35 C ATOM 0 H PHE V 36 -0.652 -14.342 -2.407 1.00 33.36 H new ATOM 0 HA PHE V 36 1.143 -14.972 -4.486 1.00 38.26 H new ATOM 0 HB2 PHE V 36 -1.780 -14.302 -4.219 1.00 41.69 H new ATOM 0 HB3 PHE V 36 -1.079 -14.292 -5.826 1.00 41.69 H new ATOM 0 HD1 PHE V 36 0.497 -16.777 -3.693 1.00 58.79 H new ATOM 0 HD2 PHE V 36 -2.896 -16.039 -6.177 1.00 58.41 H new ATOM 0 HE1 PHE V 36 0.104 -19.197 -3.888 1.00 57.95 H new ATOM 0 HE2 PHE V 36 -3.283 -18.456 -6.360 1.00 62.31 H new ATOM 0 HZ PHE V 36 -1.785 -20.039 -5.221 1.00 60.35 H new ATOM 440 N GLN V 37 0.477 -11.798 -4.150 1.00 37.14 N ATOM 441 CA GLN V 37 0.820 -10.462 -4.639 1.00 34.63 C ATOM 442 C GLN V 37 2.318 -10.191 -4.504 1.00 32.71 C ATOM 443 O GLN V 37 2.899 -9.460 -5.306 1.00 37.25 O ATOM 444 CB GLN V 37 0.027 -9.395 -3.881 1.00 36.36 C ATOM 445 CG GLN V 37 -0.084 -8.078 -4.635 1.00 43.30 C ATOM 446 CD GLN V 37 -0.707 -6.969 -3.806 1.00 50.72 C ATOM 447 OE1 GLN V 37 -0.230 -5.835 -3.813 1.00 56.21 O ATOM 448 NE2 GLN V 37 -1.780 -7.288 -3.091 1.00 43.65 N ATOM 0 H GLN V 37 -0.000 -11.808 -3.249 1.00 37.14 H new ATOM 0 HA GLN V 37 0.558 -10.418 -5.696 1.00 34.63 H new ATOM 0 HB2 GLN V 37 -0.974 -9.774 -3.676 1.00 36.36 H new ATOM 0 HB3 GLN V 37 0.503 -9.215 -2.917 1.00 36.36 H new ATOM 0 HG2 GLN V 37 0.909 -7.767 -4.960 1.00 43.30 H new ATOM 0 HG3 GLN V 37 -0.680 -8.230 -5.535 1.00 43.30 H new ATOM 0 HE21 GLN V 37 -2.143 -8.241 -3.114 1.00 43.65 H new ATOM 0 HE22 GLN V 37 -2.241 -6.580 -2.519 1.00 43.65 H new ATOM 457 N GLU V 38 2.940 -10.790 -3.491 1.00 32.32 N ATOM 458 CA GLU V 38 4.372 -10.617 -3.260 1.00 34.05 C ATOM 459 C GLU V 38 5.166 -11.682 -4.016 1.00 38.46 C ATOM 460 O GLU V 38 6.197 -11.390 -4.620 1.00 38.66 O ATOM 461 CB GLU V 38 4.684 -10.686 -1.765 1.00 32.80 C ATOM 462 CG GLU V 38 4.065 -9.554 -0.963 1.00 32.07 C ATOM 463 CD GLU V 38 4.768 -8.229 -1.185 1.00 34.57 C ATOM 464 OE1 GLU V 38 5.870 -8.041 -0.630 1.00 37.52 O ATOM 465 OE2 GLU V 38 4.215 -7.378 -1.914 1.00 23.69 O ATOM 0 H GLU V 38 2.475 -11.399 -2.818 1.00 32.32 H new ATOM 0 HA GLU V 38 4.665 -9.635 -3.631 1.00 34.05 H new ATOM 0 HB2 GLU V 38 4.326 -11.637 -1.371 1.00 32.80 H new ATOM 0 HB3 GLU V 38 5.765 -10.670 -1.627 1.00 32.80 H new ATOM 0 HG2 GLU V 38 3.014 -9.453 -1.235 1.00 32.07 H new ATOM 0 HG3 GLU V 38 4.097 -9.805 0.097 1.00 32.07 H new ATOM 472 N TYR V 39 4.664 -12.913 -3.981 1.00 36.96 N ATOM 473 CA TYR V 39 5.305 -14.031 -4.671 1.00 36.72 C ATOM 474 C TYR V 39 4.368 -14.606 -5.745 1.00 35.52 C ATOM 475 O TYR V 39 3.685 -15.600 -5.500 1.00 32.49 O ATOM 476 CB TYR V 39 5.686 -15.127 -3.665 1.00 35.21 C ATOM 477 CG TYR V 39 6.478 -14.623 -2.477 1.00 41.17 C ATOM 478 CD1 TYR V 39 7.551 -13.756 -2.647 1.00 39.53 C ATOM 479 CD2 TYR V 39 6.153 -15.015 -1.183 1.00 44.49 C ATOM 480 CE1 TYR V 39 8.277 -13.297 -1.564 1.00 41.04 C ATOM 481 CE2 TYR V 39 6.874 -14.560 -0.096 1.00 46.75 C ATOM 482 CZ TYR V 39 7.934 -13.701 -0.292 1.00 47.01 C ATOM 483 OH TYR V 39 8.655 -13.246 0.789 1.00 43.06 O ATOM 0 H TYR V 39 3.811 -13.163 -3.480 1.00 36.96 H new ATOM 0 HA TYR V 39 6.210 -13.665 -5.156 1.00 36.72 H new ATOM 0 HB2 TYR V 39 4.776 -15.608 -3.305 1.00 35.21 H new ATOM 0 HB3 TYR V 39 6.268 -15.892 -4.179 1.00 35.21 H new ATOM 0 HD1 TYR V 39 7.822 -13.436 -3.642 1.00 39.53 H new ATOM 0 HD2 TYR V 39 5.322 -15.687 -1.025 1.00 44.49 H new ATOM 0 HE1 TYR V 39 9.109 -12.625 -1.714 1.00 41.04 H new ATOM 0 HE2 TYR V 39 6.609 -14.876 0.902 1.00 46.75 H new ATOM 0 HH TYR V 39 8.234 -13.558 1.617 1.00 43.06 H new ATOM 493 N PRO V 40 4.298 -13.985 -6.950 1.00 36.79 N ATOM 494 CA PRO V 40 3.410 -14.460 -8.020 1.00 38.34 C ATOM 495 C PRO V 40 3.964 -15.646 -8.820 1.00 39.28 C ATOM 496 O PRO V 40 3.306 -16.123 -9.744 1.00 41.59 O ATOM 497 CB PRO V 40 3.279 -13.235 -8.922 1.00 33.94 C ATOM 498 CG PRO V 40 4.583 -12.530 -8.783 1.00 34.82 C ATOM 499 CD PRO V 40 5.046 -12.771 -7.365 1.00 37.37 C ATOM 0 HA PRO V 40 2.472 -14.836 -7.611 1.00 38.34 H new ATOM 0 HB2 PRO V 40 3.091 -13.522 -9.957 1.00 33.94 H new ATOM 0 HB3 PRO V 40 2.449 -12.600 -8.611 1.00 33.94 H new ATOM 0 HG2 PRO V 40 5.310 -12.912 -9.500 1.00 34.82 H new ATOM 0 HG3 PRO V 40 4.472 -11.464 -8.980 1.00 34.82 H new ATOM 0 HD2 PRO V 40 6.123 -12.929 -7.317 1.00 37.37 H new ATOM 0 HD3 PRO V 40 4.820 -11.922 -6.720 1.00 37.37 H new ATOM 507 N ASP V 41 5.164 -16.123 -8.477 1.00 39.84 N ATOM 508 CA ASP V 41 5.765 -17.249 -9.196 1.00 42.97 C ATOM 509 C ASP V 41 5.428 -18.581 -8.529 1.00 39.40 C ATOM 510 O ASP V 41 5.330 -19.608 -9.199 1.00 40.22 O ATOM 511 CB ASP V 41 7.284 -17.080 -9.269 1.00 52.48 C ATOM 512 CG ASP V 41 7.910 -16.906 -7.901 1.00 60.11 C ATOM 513 OD1 ASP V 41 7.465 -16.011 -7.153 1.00 68.07 O ATOM 514 OD2 ASP V 41 8.845 -17.668 -7.576 1.00 61.00 O ATOM 0 H ASP V 41 5.732 -15.752 -7.715 1.00 39.84 H new ATOM 0 HA ASP V 41 5.350 -17.257 -10.204 1.00 42.97 H new ATOM 0 HB2 ASP V 41 7.721 -17.951 -9.758 1.00 52.48 H new ATOM 0 HB3 ASP V 41 7.522 -16.214 -9.887 1.00 52.48 H new ATOM 519 N GLU V 42 5.250 -18.559 -7.211 1.00 32.89 N ATOM 520 CA GLU V 42 4.921 -19.771 -6.466 1.00 32.14 C ATOM 521 C GLU V 42 3.414 -20.027 -6.493 1.00 30.80 C ATOM 522 O GLU V 42 2.663 -19.429 -5.723 1.00 30.92 O ATOM 523 CB GLU V 42 5.410 -19.653 -5.020 1.00 31.12 C ATOM 524 CG GLU V 42 6.886 -19.304 -4.908 1.00 40.83 C ATOM 525 CD GLU V 42 7.791 -20.437 -5.352 1.00 51.91 C ATOM 526 OE1 GLU V 42 7.356 -21.607 -5.289 1.00 49.67 O ATOM 527 OE2 GLU V 42 8.936 -20.154 -5.763 1.00 52.68 O ATOM 0 H GLU V 42 5.328 -17.719 -6.638 1.00 32.89 H new ATOM 0 HA GLU V 42 5.423 -20.614 -6.941 1.00 32.14 H new ATOM 0 HB2 GLU V 42 4.824 -18.890 -4.507 1.00 31.12 H new ATOM 0 HB3 GLU V 42 5.227 -20.596 -4.504 1.00 31.12 H new ATOM 0 HG2 GLU V 42 7.093 -18.421 -5.512 1.00 40.83 H new ATOM 0 HG3 GLU V 42 7.116 -19.044 -3.875 1.00 40.83 H new ATOM 534 N ILE V 43 2.982 -20.916 -7.390 1.00 31.26 N ATOM 535 CA ILE V 43 1.562 -21.249 -7.525 1.00 32.91 C ATOM 536 C ILE V 43 1.302 -22.729 -7.221 1.00 32.87 C ATOM 537 O ILE V 43 0.291 -23.076 -6.610 1.00 33.89 O ATOM 538 CB ILE V 43 1.018 -20.946 -8.943 1.00 31.51 C ATOM 539 CG1 ILE V 43 1.581 -19.633 -9.509 1.00 35.56 C ATOM 540 CG2 ILE V 43 -0.502 -20.896 -8.918 1.00 29.65 C ATOM 541 CD1 ILE V 43 1.406 -18.438 -8.599 1.00 38.61 C ATOM 0 H ILE V 43 3.594 -21.418 -8.033 1.00 31.26 H new ATOM 0 HA ILE V 43 1.043 -20.621 -6.801 1.00 32.91 H new ATOM 0 HB ILE V 43 1.346 -21.752 -9.600 1.00 31.51 H new ATOM 0 HG12 ILE V 43 2.643 -19.766 -9.715 1.00 35.56 H new ATOM 0 HG13 ILE V 43 1.095 -19.424 -10.462 1.00 35.56 H new ATOM 0 HG21 ILE V 43 -0.876 -20.682 -9.919 1.00 29.65 H new ATOM 0 HG22 ILE V 43 -0.892 -21.857 -8.582 1.00 29.65 H new ATOM 0 HG23 ILE V 43 -0.829 -20.113 -8.234 1.00 29.65 H new ATOM 0 HD11 ILE V 43 1.831 -17.554 -9.074 1.00 38.61 H new ATOM 0 HD12 ILE V 43 0.345 -18.275 -8.412 1.00 38.61 H new ATOM 0 HD13 ILE V 43 1.917 -18.623 -7.654 1.00 38.61 H new ATOM 553 N GLU V 44 2.209 -23.593 -7.669 1.00 31.09 N ATOM 554 CA GLU V 44 2.070 -25.036 -7.465 1.00 31.11 C ATOM 555 C GLU V 44 1.923 -25.410 -5.984 1.00 32.38 C ATOM 556 O GLU V 44 1.409 -26.482 -5.665 1.00 32.31 O ATOM 557 CB GLU V 44 3.271 -25.770 -8.068 1.00 34.26 C ATOM 558 CG GLU V 44 3.024 -27.254 -8.291 1.00 36.88 C ATOM 559 CD GLU V 44 1.943 -27.517 -9.320 1.00 40.01 C ATOM 560 OE1 GLU V 44 2.082 -27.039 -10.465 1.00 44.37 O ATOM 561 OE2 GLU V 44 0.954 -28.200 -8.979 1.00 45.13 O ATOM 0 H GLU V 44 3.050 -23.320 -8.177 1.00 31.09 H new ATOM 0 HA GLU V 44 1.154 -25.343 -7.970 1.00 31.11 H new ATOM 0 HB2 GLU V 44 3.531 -25.306 -9.019 1.00 34.26 H new ATOM 0 HB3 GLU V 44 4.130 -25.648 -7.409 1.00 34.26 H new ATOM 0 HG2 GLU V 44 3.951 -27.728 -8.614 1.00 36.88 H new ATOM 0 HG3 GLU V 44 2.741 -27.717 -7.346 1.00 36.88 H new ATOM 568 N TYR V 45 2.378 -24.535 -5.087 1.00 28.78 N ATOM 569 CA TYR V 45 2.289 -24.796 -3.648 1.00 28.10 C ATOM 570 C TYR V 45 1.254 -23.883 -2.985 1.00 27.54 C ATOM 571 O TYR V 45 1.565 -22.751 -2.617 1.00 26.89 O ATOM 572 CB TYR V 45 3.657 -24.594 -2.988 1.00 29.96 C ATOM 573 CG TYR V 45 4.756 -25.430 -3.603 1.00 28.72 C ATOM 574 CD1 TYR V 45 4.642 -26.813 -3.683 1.00 26.29 C ATOM 575 CD2 TYR V 45 5.908 -24.836 -4.103 1.00 28.55 C ATOM 576 CE1 TYR V 45 5.646 -27.579 -4.246 1.00 28.09 C ATOM 577 CE2 TYR V 45 6.915 -25.596 -4.668 1.00 29.18 C ATOM 578 CZ TYR V 45 6.779 -26.966 -4.737 1.00 27.81 C ATOM 579 OH TYR V 45 7.780 -27.726 -5.297 1.00 31.45 O ATOM 0 H TYR V 45 2.810 -23.643 -5.328 1.00 28.78 H new ATOM 0 HA TYR V 45 1.972 -25.830 -3.513 1.00 28.10 H new ATOM 0 HB2 TYR V 45 3.932 -23.541 -3.056 1.00 29.96 H new ATOM 0 HB3 TYR V 45 3.579 -24.835 -1.928 1.00 29.96 H new ATOM 0 HD1 TYR V 45 3.756 -27.297 -3.300 1.00 26.29 H new ATOM 0 HD2 TYR V 45 6.019 -23.763 -4.049 1.00 28.55 H new ATOM 0 HE1 TYR V 45 5.543 -28.653 -4.301 1.00 28.09 H new ATOM 0 HE2 TYR V 45 7.804 -25.119 -5.053 1.00 29.18 H new ATOM 0 HH TYR V 45 8.507 -27.141 -5.595 1.00 31.45 H new ATOM 589 N ILE V 46 0.024 -24.386 -2.835 1.00 28.26 N ATOM 590 CA ILE V 46 -1.058 -23.614 -2.216 1.00 31.50 C ATOM 591 C ILE V 46 -0.679 -23.189 -0.792 1.00 30.03 C ATOM 592 O ILE V 46 -0.312 -24.017 0.042 1.00 27.67 O ATOM 593 CB ILE V 46 -2.390 -24.420 -2.194 1.00 34.29 C ATOM 594 CG1 ILE V 46 -2.768 -24.878 -3.607 1.00 32.76 C ATOM 595 CG2 ILE V 46 -3.533 -23.601 -1.600 1.00 33.68 C ATOM 596 CD1 ILE V 46 -3.668 -26.095 -3.627 1.00 35.09 C ATOM 0 H ILE V 46 -0.247 -25.323 -3.133 1.00 28.26 H new ATOM 0 HA ILE V 46 -1.209 -22.721 -2.822 1.00 31.50 H new ATOM 0 HB ILE V 46 -2.228 -25.293 -1.562 1.00 34.29 H new ATOM 0 HG12 ILE V 46 -3.267 -24.059 -4.125 1.00 32.76 H new ATOM 0 HG13 ILE V 46 -1.858 -25.100 -4.164 1.00 32.76 H new ATOM 0 HG21 ILE V 46 -4.446 -24.196 -1.601 1.00 33.68 H new ATOM 0 HG22 ILE V 46 -3.285 -23.319 -0.577 1.00 33.68 H new ATOM 0 HG23 ILE V 46 -3.685 -22.702 -2.197 1.00 33.68 H new ATOM 0 HD11 ILE V 46 -3.895 -26.363 -4.659 1.00 35.09 H new ATOM 0 HD12 ILE V 46 -3.164 -26.929 -3.138 1.00 35.09 H new ATOM 0 HD13 ILE V 46 -4.594 -25.871 -3.098 1.00 35.09 H new ATOM 608 N PHE V 47 -0.755 -21.885 -0.528 1.00 26.65 N ATOM 609 CA PHE V 47 -0.406 -21.344 0.785 1.00 24.15 C ATOM 610 C PHE V 47 -1.640 -21.186 1.671 1.00 24.08 C ATOM 611 O PHE V 47 -2.673 -20.681 1.230 1.00 24.75 O ATOM 612 CB PHE V 47 0.283 -19.986 0.630 1.00 20.77 C ATOM 613 CG PHE V 47 1.485 -20.016 -0.270 1.00 27.71 C ATOM 614 CD1 PHE V 47 2.645 -20.664 0.122 1.00 29.86 C ATOM 615 CD2 PHE V 47 1.455 -19.393 -1.507 1.00 27.73 C ATOM 616 CE1 PHE V 47 3.753 -20.689 -0.703 1.00 29.96 C ATOM 617 CE2 PHE V 47 2.560 -19.416 -2.337 1.00 25.52 C ATOM 618 CZ PHE V 47 3.709 -20.065 -1.934 1.00 33.54 C ATOM 0 H PHE V 47 -1.055 -21.184 -1.206 1.00 26.65 H new ATOM 0 HA PHE V 47 0.273 -22.051 1.262 1.00 24.15 H new ATOM 0 HB2 PHE V 47 -0.436 -19.267 0.237 1.00 20.77 H new ATOM 0 HB3 PHE V 47 0.586 -19.628 1.614 1.00 20.77 H new ATOM 0 HD1 PHE V 47 2.684 -21.155 1.083 1.00 29.86 H new ATOM 0 HD2 PHE V 47 0.558 -18.884 -1.826 1.00 27.73 H new ATOM 0 HE1 PHE V 47 4.652 -21.196 -0.386 1.00 29.96 H new ATOM 0 HE2 PHE V 47 2.524 -18.927 -3.299 1.00 25.52 H new ATOM 0 HZ PHE V 47 4.573 -20.085 -2.581 1.00 33.54 H new ATOM 628 N LYS V 48 -1.514 -21.608 2.925 1.00 20.31 N ATOM 629 CA LYS V 48 -2.605 -21.508 3.891 1.00 19.08 C ATOM 630 C LYS V 48 -2.079 -20.949 5.225 1.00 23.12 C ATOM 631 O LYS V 48 -1.292 -21.622 5.890 1.00 22.10 O ATOM 632 CB LYS V 48 -3.233 -22.888 4.118 1.00 23.20 C ATOM 633 CG LYS V 48 -4.287 -23.253 3.084 1.00 30.92 C ATOM 634 CD LYS V 48 -5.267 -24.285 3.621 1.00 42.77 C ATOM 635 CE LYS V 48 -6.300 -23.655 4.543 1.00 44.46 C ATOM 636 NZ LYS V 48 -6.968 -22.480 3.916 1.00 39.82 N ATOM 0 H LYS V 48 -0.662 -22.025 3.299 1.00 20.31 H new ATOM 0 HA LYS V 48 -3.363 -20.832 3.496 1.00 19.08 H new ATOM 0 HB2 LYS V 48 -2.447 -23.643 4.105 1.00 23.20 H new ATOM 0 HB3 LYS V 48 -3.684 -22.914 5.110 1.00 23.20 H new ATOM 0 HG2 LYS V 48 -4.830 -22.356 2.785 1.00 30.92 H new ATOM 0 HG3 LYS V 48 -3.800 -23.644 2.190 1.00 30.92 H new ATOM 0 HD2 LYS V 48 -5.773 -24.774 2.788 1.00 42.77 H new ATOM 0 HD3 LYS V 48 -4.721 -25.059 4.161 1.00 42.77 H new ATOM 0 HE2 LYS V 48 -7.051 -24.399 4.808 1.00 44.46 H new ATOM 0 HE3 LYS V 48 -5.817 -23.345 5.470 1.00 44.46 H new ATOM 0 HZ1 LYS V 48 -7.851 -22.270 4.425 1.00 39.82 H new ATOM 0 HZ2 LYS V 48 -6.336 -21.655 3.964 1.00 39.82 H new ATOM 0 HZ3 LYS V 48 -7.184 -22.693 2.921 1.00 39.82 H new ATOM 650 N PRO V 49 -2.474 -19.717 5.654 1.00 21.57 N ATOM 651 CA PRO V 49 -3.412 -18.829 4.937 1.00 21.36 C ATOM 652 C PRO V 49 -2.791 -18.199 3.693 1.00 18.95 C ATOM 653 O PRO V 49 -1.570 -18.082 3.587 1.00 18.93 O ATOM 654 CB PRO V 49 -3.734 -17.746 5.974 1.00 22.80 C ATOM 655 CG PRO V 49 -2.535 -17.696 6.851 1.00 22.04 C ATOM 656 CD PRO V 49 -2.016 -19.106 6.920 1.00 22.58 C ATOM 0 HA PRO V 49 -4.284 -19.372 4.574 1.00 21.36 H new ATOM 0 HB2 PRO V 49 -3.917 -16.783 5.497 1.00 22.80 H new ATOM 0 HB3 PRO V 49 -4.630 -17.995 6.542 1.00 22.80 H new ATOM 0 HG2 PRO V 49 -1.781 -17.022 6.444 1.00 22.04 H new ATOM 0 HG3 PRO V 49 -2.792 -17.325 7.843 1.00 22.04 H new ATOM 0 HD2 PRO V 49 -0.929 -19.128 7.004 1.00 22.58 H new ATOM 0 HD3 PRO V 49 -2.413 -19.636 7.786 1.00 22.58 H new ATOM 664 N SER V 50 -3.643 -17.795 2.757 1.00 19.61 N ATOM 665 CA SER V 50 -3.186 -17.176 1.515 1.00 20.56 C ATOM 666 C SER V 50 -2.700 -15.732 1.721 1.00 21.13 C ATOM 667 O SER V 50 -2.055 -15.169 0.837 1.00 20.77 O ATOM 668 CB SER V 50 -4.311 -17.198 0.478 1.00 20.41 C ATOM 669 OG SER V 50 -5.474 -16.561 0.977 1.00 24.61 O ATOM 0 H SER V 50 -4.656 -17.885 2.834 1.00 19.61 H new ATOM 0 HA SER V 50 -2.336 -17.758 1.159 1.00 20.56 H new ATOM 0 HB2 SER V 50 -3.981 -16.698 -0.433 1.00 20.41 H new ATOM 0 HB3 SER V 50 -4.543 -18.229 0.210 1.00 20.41 H new ATOM 0 HG SER V 50 -5.264 -16.111 1.822 1.00 24.61 H new ATOM 675 N CYS V 51 -3.008 -15.131 2.876 1.00 22.81 N ATOM 676 CA CYS V 51 -2.591 -13.758 3.159 1.00 20.12 C ATOM 677 C CYS V 51 -1.952 -13.668 4.544 1.00 18.06 C ATOM 678 O CYS V 51 -2.120 -14.566 5.368 1.00 18.18 O ATOM 679 CB CYS V 51 -3.791 -12.809 3.065 1.00 20.70 C ATOM 680 SG CYS V 51 -5.153 -13.198 4.216 1.00 23.19 S ATOM 0 H CYS V 51 -3.542 -15.573 3.624 1.00 22.81 H new ATOM 0 HA CYS V 51 -1.850 -13.461 2.416 1.00 20.12 H new ATOM 0 HB2 CYS V 51 -3.450 -11.792 3.256 1.00 20.70 H new ATOM 0 HB3 CYS V 51 -4.176 -12.830 2.046 1.00 20.70 H new ATOM 685 N VAL V 52 -1.210 -12.589 4.794 1.00 16.97 N ATOM 686 CA VAL V 52 -0.542 -12.405 6.084 1.00 16.88 C ATOM 687 C VAL V 52 -0.644 -10.955 6.574 1.00 17.01 C ATOM 688 O VAL V 52 -0.586 -10.027 5.766 1.00 18.22 O ATOM 689 CB VAL V 52 0.948 -12.795 5.996 1.00 19.17 C ATOM 690 CG1 VAL V 52 1.099 -14.290 5.759 1.00 20.57 C ATOM 691 CG2 VAL V 52 1.650 -12.004 4.899 1.00 17.34 C ATOM 0 H VAL V 52 -1.056 -11.834 4.126 1.00 16.97 H new ATOM 0 HA VAL V 52 -1.051 -13.056 6.795 1.00 16.88 H new ATOM 0 HB VAL V 52 1.420 -12.550 6.948 1.00 19.17 H new ATOM 0 HG11 VAL V 52 2.157 -14.544 5.700 1.00 20.57 H new ATOM 0 HG12 VAL V 52 0.640 -14.837 6.582 1.00 20.57 H new ATOM 0 HG13 VAL V 52 0.608 -14.562 4.824 1.00 20.57 H new ATOM 0 HG21 VAL V 52 2.699 -12.295 4.855 1.00 17.34 H new ATOM 0 HG22 VAL V 52 1.175 -12.212 3.940 1.00 17.34 H new ATOM 0 HG23 VAL V 52 1.578 -10.938 5.116 1.00 17.34 H new ATOM 701 N PRO V 53 -0.790 -10.724 7.904 1.00 18.94 N ATOM 702 CA PRO V 53 -0.889 -9.365 8.449 1.00 19.12 C ATOM 703 C PRO V 53 0.472 -8.680 8.547 1.00 17.23 C ATOM 704 O PRO V 53 1.401 -9.210 9.155 1.00 18.14 O ATOM 705 CB PRO V 53 -1.477 -9.591 9.840 1.00 17.45 C ATOM 706 CG PRO V 53 -0.967 -10.930 10.246 1.00 17.44 C ATOM 707 CD PRO V 53 -0.870 -11.745 8.978 1.00 19.44 C ATOM 0 HA PRO V 53 -1.489 -8.711 7.817 1.00 19.12 H new ATOM 0 HB2 PRO V 53 -1.157 -8.816 10.537 1.00 17.45 H new ATOM 0 HB3 PRO V 53 -2.567 -9.571 9.819 1.00 17.45 H new ATOM 0 HG2 PRO V 53 0.006 -10.846 10.730 1.00 17.44 H new ATOM 0 HG3 PRO V 53 -1.640 -11.402 10.962 1.00 17.44 H new ATOM 0 HD2 PRO V 53 0.009 -12.389 8.983 1.00 19.44 H new ATOM 0 HD3 PRO V 53 -1.738 -12.392 8.851 1.00 19.44 H new ATOM 715 N LEU V 54 0.583 -7.500 7.942 1.00 16.75 N ATOM 716 CA LEU V 54 1.831 -6.744 7.958 1.00 16.12 C ATOM 717 C LEU V 54 1.564 -5.257 8.163 1.00 15.47 C ATOM 718 O LEU V 54 0.567 -4.723 7.678 1.00 16.25 O ATOM 719 CB LEU V 54 2.596 -6.962 6.652 1.00 17.16 C ATOM 720 CG LEU V 54 2.852 -8.426 6.298 1.00 16.95 C ATOM 721 CD1 LEU V 54 3.324 -8.554 4.859 1.00 17.26 C ATOM 722 CD2 LEU V 54 3.872 -9.032 7.252 1.00 20.94 C ATOM 0 H LEU V 54 -0.177 -7.047 7.434 1.00 16.75 H new ATOM 0 HA LEU V 54 2.435 -7.103 8.791 1.00 16.12 H new ATOM 0 HB2 LEU V 54 2.038 -6.498 5.839 1.00 17.16 H new ATOM 0 HB3 LEU V 54 3.554 -6.445 6.717 1.00 17.16 H new ATOM 0 HG LEU V 54 1.915 -8.974 6.400 1.00 16.95 H new ATOM 0 HD11 LEU V 54 3.501 -9.604 4.626 1.00 17.26 H new ATOM 0 HD12 LEU V 54 2.561 -8.157 4.189 1.00 17.26 H new ATOM 0 HD13 LEU V 54 4.249 -7.993 4.728 1.00 17.26 H new ATOM 0 HD21 LEU V 54 4.043 -10.075 6.987 1.00 20.94 H new ATOM 0 HD22 LEU V 54 4.810 -8.481 7.181 1.00 20.94 H new ATOM 0 HD23 LEU V 54 3.494 -8.975 8.273 1.00 20.94 H new ATOM 734 N MET V 55 2.465 -4.593 8.882 1.00 15.98 N ATOM 735 CA MET V 55 2.328 -3.164 9.149 1.00 17.19 C ATOM 736 C MET V 55 2.837 -2.339 7.966 1.00 18.67 C ATOM 737 O MET V 55 4.041 -2.266 7.723 1.00 18.80 O ATOM 738 CB MET V 55 3.094 -2.787 10.422 1.00 16.07 C ATOM 739 CG MET V 55 2.431 -3.285 11.702 1.00 19.97 C ATOM 740 SD MET V 55 2.250 -2.004 12.962 1.00 29.17 S ATOM 741 CE MET V 55 1.154 -0.858 12.132 1.00 23.25 C ATOM 0 H MET V 55 3.296 -5.021 9.290 1.00 15.98 H new ATOM 0 HA MET V 55 1.270 -2.943 9.293 1.00 17.19 H new ATOM 0 HB2 MET V 55 4.103 -3.194 10.363 1.00 16.07 H new ATOM 0 HB3 MET V 55 3.190 -1.702 10.471 1.00 16.07 H new ATOM 0 HG2 MET V 55 1.447 -3.687 11.460 1.00 19.97 H new ATOM 0 HG3 MET V 55 3.019 -4.106 12.111 1.00 19.97 H new ATOM 0 HE1 MET V 55 0.671 -0.218 12.870 1.00 23.25 H new ATOM 0 HE2 MET V 55 1.728 -0.243 11.438 1.00 23.25 H new ATOM 0 HE3 MET V 55 0.395 -1.414 11.581 1.00 23.25 H new ATOM 751 N ARG V 56 1.909 -1.723 7.236 1.00 17.20 N ATOM 752 CA ARG V 56 2.257 -0.902 6.077 1.00 21.77 C ATOM 753 C ARG V 56 1.757 0.529 6.257 1.00 22.40 C ATOM 754 O ARG V 56 1.043 0.829 7.213 1.00 23.40 O ATOM 755 CB ARG V 56 1.657 -1.502 4.802 1.00 23.14 C ATOM 756 CG ARG V 56 2.102 -2.933 4.535 1.00 21.82 C ATOM 757 CD ARG V 56 3.240 -3.007 3.520 1.00 18.41 C ATOM 758 NE ARG V 56 2.862 -3.764 2.324 1.00 21.00 N ATOM 759 CZ ARG V 56 2.216 -3.250 1.273 1.00 21.95 C ATOM 760 NH1 ARG V 56 1.860 -1.969 1.245 1.00 18.10 N ATOM 761 NH2 ARG V 56 1.921 -4.028 0.239 1.00 23.26 N ATOM 0 H ARG V 56 0.908 -1.777 7.427 1.00 17.20 H new ATOM 0 HA ARG V 56 3.343 -0.884 5.989 1.00 21.77 H new ATOM 0 HB2 ARG V 56 0.570 -1.476 4.875 1.00 23.14 H new ATOM 0 HB3 ARG V 56 1.935 -0.879 3.952 1.00 23.14 H new ATOM 0 HG2 ARG V 56 2.422 -3.392 5.470 1.00 21.82 H new ATOM 0 HG3 ARG V 56 1.254 -3.512 4.170 1.00 21.82 H new ATOM 0 HD2 ARG V 56 3.535 -1.998 3.232 1.00 18.41 H new ATOM 0 HD3 ARG V 56 4.109 -3.473 3.984 1.00 18.41 H new ATOM 0 HE ARG V 56 3.109 -4.753 2.291 1.00 21.00 H new ATOM 0 HH11 ARG V 56 2.080 -1.361 2.034 1.00 18.10 H new ATOM 0 HH12 ARG V 56 1.367 -1.594 0.434 1.00 18.10 H new ATOM 0 HH21 ARG V 56 2.187 -5.013 0.249 1.00 23.26 H new ATOM 0 HH22 ARG V 56 1.428 -3.641 -0.566 1.00 23.26 H new ATOM 775 N CYS V 57 2.131 1.406 5.329 1.00 18.45 N ATOM 776 CA CYS V 57 1.713 2.805 5.385 1.00 19.81 C ATOM 777 C CYS V 57 0.430 3.015 4.585 1.00 18.50 C ATOM 778 O CYS V 57 0.319 2.564 3.445 1.00 21.04 O ATOM 779 CB CYS V 57 2.816 3.716 4.843 1.00 22.84 C ATOM 780 SG CYS V 57 4.427 3.521 5.675 1.00 25.39 S ATOM 0 H CYS V 57 2.722 1.174 4.530 1.00 18.45 H new ATOM 0 HA CYS V 57 1.524 3.060 6.428 1.00 19.81 H new ATOM 0 HB2 CYS V 57 2.944 3.519 3.779 1.00 22.84 H new ATOM 0 HB3 CYS V 57 2.494 4.753 4.938 1.00 22.84 H new ATOM 785 N GLY V 58 -0.537 3.701 5.192 1.00 20.11 N ATOM 786 CA GLY V 58 -1.802 3.960 4.522 1.00 20.29 C ATOM 787 C GLY V 58 -2.377 5.324 4.862 1.00 20.36 C ATOM 788 O GLY V 58 -2.078 5.885 5.917 1.00 19.59 O ATOM 0 H GLY V 58 -0.467 4.082 6.136 1.00 20.11 H new ATOM 0 HA2 GLY V 58 -1.658 3.889 3.444 1.00 20.29 H new ATOM 0 HA3 GLY V 58 -2.520 3.188 4.799 1.00 20.29 H new ATOM 792 N GLY V 59 -3.208 5.855 3.964 1.00 21.32 N ATOM 793 CA GLY V 59 -3.821 7.157 4.183 1.00 20.02 C ATOM 794 C GLY V 59 -3.582 8.116 3.030 1.00 21.66 C ATOM 795 O GLY V 59 -3.721 7.744 1.866 1.00 19.64 O ATOM 0 H GLY V 59 -3.468 5.405 3.086 1.00 21.32 H new ATOM 0 HA2 GLY V 59 -4.894 7.030 4.328 1.00 20.02 H new ATOM 0 HA3 GLY V 59 -3.424 7.592 5.101 1.00 20.02 H new ATOM 799 N CYS V 60 -3.224 9.354 3.361 1.00 19.18 N ATOM 800 CA CYS V 60 -2.965 10.372 2.350 1.00 20.85 C ATOM 801 C CYS V 60 -2.005 11.434 2.881 1.00 19.94 C ATOM 802 O CYS V 60 -1.725 11.484 4.079 1.00 20.67 O ATOM 803 CB CYS V 60 -4.280 11.020 1.904 1.00 18.47 C ATOM 804 SG CYS V 60 -5.248 11.760 3.259 1.00 23.55 S ATOM 0 H CYS V 60 -3.107 9.675 4.322 1.00 19.18 H new ATOM 0 HA CYS V 60 -2.499 9.891 1.490 1.00 20.85 H new ATOM 0 HB2 CYS V 60 -4.059 11.792 1.167 1.00 18.47 H new ATOM 0 HB3 CYS V 60 -4.891 10.268 1.405 1.00 18.47 H new ATOM 809 N CYS V 61 -1.496 12.274 1.984 1.00 19.40 N ATOM 810 CA CYS V 61 -0.558 13.328 2.367 1.00 21.79 C ATOM 811 C CYS V 61 -1.273 14.661 2.578 1.00 22.41 C ATOM 812 O CYS V 61 -2.493 14.752 2.444 1.00 23.61 O ATOM 813 CB CYS V 61 0.527 13.478 1.299 1.00 20.07 C ATOM 814 SG CYS V 61 1.765 12.141 1.307 1.00 23.92 S ATOM 0 H CYS V 61 -1.716 12.247 0.988 1.00 19.40 H new ATOM 0 HA CYS V 61 -0.097 13.041 3.312 1.00 21.79 H new ATOM 0 HB2 CYS V 61 0.054 13.515 0.318 1.00 20.07 H new ATOM 0 HB3 CYS V 61 1.036 14.431 1.444 1.00 20.07 H new ATOM 819 N ASN V 62 -0.501 15.692 2.914 1.00 22.74 N ATOM 820 CA ASN V 62 -1.050 17.024 3.153 1.00 26.84 C ATOM 821 C ASN V 62 -1.429 17.720 1.846 1.00 27.79 C ATOM 822 O ASN V 62 -2.364 18.520 1.811 1.00 24.02 O ATOM 823 CB ASN V 62 -0.038 17.882 3.915 1.00 27.25 C ATOM 824 CG ASN V 62 0.109 17.458 5.362 1.00 33.71 C ATOM 825 OD1 ASN V 62 -0.123 16.299 5.707 1.00 30.90 O ATOM 826 ND2 ASN V 62 0.496 18.396 6.221 1.00 30.60 N ATOM 0 H ASN V 62 0.511 15.629 3.027 1.00 22.74 H new ATOM 0 HA ASN V 62 -1.954 16.905 3.750 1.00 26.84 H new ATOM 0 HB2 ASN V 62 0.932 17.819 3.421 1.00 27.25 H new ATOM 0 HB3 ASN V 62 -0.349 18.926 3.875 1.00 27.25 H new ATOM 0 HD21 ASN V 62 0.611 18.167 7.208 1.00 30.60 H new ATOM 0 HD22 ASN V 62 0.678 19.344 5.893 1.00 30.60 H new ATOM 833 N ASP V 63 -0.692 17.421 0.778 1.00 28.86 N ATOM 834 CA ASP V 63 -0.947 18.031 -0.526 1.00 30.93 C ATOM 835 C ASP V 63 -1.109 16.969 -1.609 1.00 31.43 C ATOM 836 O ASP V 63 -0.783 15.801 -1.403 1.00 29.18 O ATOM 837 CB ASP V 63 0.197 18.978 -0.899 1.00 34.12 C ATOM 838 CG ASP V 63 -0.233 20.044 -1.888 1.00 40.73 C ATOM 839 OD1 ASP V 63 -1.209 20.765 -1.595 1.00 38.66 O ATOM 840 OD2 ASP V 63 0.406 20.155 -2.956 1.00 39.72 O ATOM 0 H ASP V 63 0.086 16.761 0.790 1.00 28.86 H new ATOM 0 HA ASP V 63 -1.877 18.595 -0.456 1.00 30.93 H new ATOM 0 HB2 ASP V 63 0.578 19.456 0.003 1.00 34.12 H new ATOM 0 HB3 ASP V 63 1.018 18.401 -1.325 1.00 34.12 H new ATOM 845 N GLU V 64 -1.620 17.388 -2.764 1.00 34.90 N ATOM 846 CA GLU V 64 -1.835 16.479 -3.885 1.00 38.97 C ATOM 847 C GLU V 64 -0.513 16.089 -4.549 1.00 39.22 C ATOM 848 O GLU V 64 -0.397 15.004 -5.120 1.00 41.33 O ATOM 849 CB GLU V 64 -2.763 17.125 -4.916 1.00 46.28 C ATOM 850 CG GLU V 64 -3.377 16.129 -5.884 1.00 61.78 C ATOM 851 CD GLU V 64 -4.066 16.802 -7.056 1.00 73.79 C ATOM 852 OE1 GLU V 64 -3.373 17.487 -7.837 1.00 79.34 O ATOM 853 OE2 GLU V 64 -5.296 16.642 -7.192 1.00 79.76 O ATOM 0 H GLU V 64 -1.893 18.353 -2.948 1.00 34.90 H new ATOM 0 HA GLU V 64 -2.299 15.573 -3.496 1.00 38.97 H new ATOM 0 HB2 GLU V 64 -3.561 17.653 -4.395 1.00 46.28 H new ATOM 0 HB3 GLU V 64 -2.203 17.871 -5.480 1.00 46.28 H new ATOM 0 HG2 GLU V 64 -2.598 15.464 -6.258 1.00 61.78 H new ATOM 0 HG3 GLU V 64 -4.097 15.508 -5.352 1.00 61.78 H new ATOM 860 N GLY V 65 0.473 16.984 -4.485 1.00 35.37 N ATOM 861 CA GLY V 65 1.767 16.718 -5.098 1.00 32.97 C ATOM 862 C GLY V 65 2.705 15.871 -4.240 1.00 32.72 C ATOM 863 O GLY V 65 3.877 15.717 -4.584 1.00 34.09 O ATOM 0 H GLY V 65 0.399 17.889 -4.020 1.00 35.37 H new ATOM 0 HA2 GLY V 65 1.608 16.212 -6.050 1.00 32.97 H new ATOM 0 HA3 GLY V 65 2.254 17.668 -5.319 1.00 32.97 H new ATOM 867 N LEU V 66 2.205 15.316 -3.131 1.00 33.64 N ATOM 868 CA LEU V 66 3.031 14.483 -2.253 1.00 31.47 C ATOM 869 C LEU V 66 2.670 13.010 -2.416 1.00 30.71 C ATOM 870 O LEU V 66 1.775 12.667 -3.188 1.00 30.46 O ATOM 871 CB LEU V 66 2.852 14.904 -0.794 1.00 25.00 C ATOM 872 CG LEU V 66 3.499 16.238 -0.429 1.00 28.20 C ATOM 873 CD1 LEU V 66 3.134 16.642 0.990 1.00 20.32 C ATOM 874 CD2 LEU V 66 5.010 16.157 -0.588 1.00 31.13 C ATOM 0 H LEU V 66 1.239 15.428 -2.822 1.00 33.64 H new ATOM 0 HA LEU V 66 4.075 14.622 -2.535 1.00 31.47 H new ATOM 0 HB2 LEU V 66 1.786 14.961 -0.575 1.00 25.00 H new ATOM 0 HB3 LEU V 66 3.268 14.127 -0.153 1.00 25.00 H new ATOM 0 HG LEU V 66 3.119 17.000 -1.109 1.00 28.20 H new ATOM 0 HD11 LEU V 66 3.605 17.595 1.230 1.00 20.32 H new ATOM 0 HD12 LEU V 66 2.052 16.741 1.073 1.00 20.32 H new ATOM 0 HD13 LEU V 66 3.483 15.880 1.686 1.00 20.32 H new ATOM 0 HD21 LEU V 66 5.456 17.116 -0.324 1.00 31.13 H new ATOM 0 HD22 LEU V 66 5.404 15.381 0.068 1.00 31.13 H new ATOM 0 HD23 LEU V 66 5.255 15.916 -1.622 1.00 31.13 H new ATOM 886 N GLU V 67 3.364 12.144 -1.685 1.00 29.54 N ATOM 887 CA GLU V 67 3.103 10.711 -1.751 1.00 29.72 C ATOM 888 C GLU V 67 3.463 10.034 -0.430 1.00 28.65 C ATOM 889 O GLU V 67 4.536 10.265 0.126 1.00 26.01 O ATOM 890 CB GLU V 67 3.900 10.078 -2.894 1.00 28.23 C ATOM 891 CG GLU V 67 5.381 10.418 -2.863 1.00 34.16 C ATOM 892 CD GLU V 67 6.216 9.468 -3.700 1.00 39.49 C ATOM 893 OE1 GLU V 67 5.916 8.257 -3.701 1.00 44.55 O ATOM 894 OE2 GLU V 67 7.170 9.937 -4.356 1.00 37.93 O ATOM 0 H GLU V 67 4.110 12.409 -1.041 1.00 29.54 H new ATOM 0 HA GLU V 67 2.039 10.568 -1.937 1.00 29.72 H new ATOM 0 HB2 GLU V 67 3.783 8.995 -2.851 1.00 28.23 H new ATOM 0 HB3 GLU V 67 3.480 10.407 -3.845 1.00 28.23 H new ATOM 0 HG2 GLU V 67 5.524 11.436 -3.225 1.00 34.16 H new ATOM 0 HG3 GLU V 67 5.734 10.394 -1.832 1.00 34.16 H new ATOM 901 N CYS V 68 2.557 9.195 0.062 1.00 27.04 N ATOM 902 CA CYS V 68 2.769 8.476 1.315 1.00 25.80 C ATOM 903 C CYS V 68 3.640 7.239 1.084 1.00 26.88 C ATOM 904 O CYS V 68 3.179 6.237 0.540 1.00 29.88 O ATOM 905 CB CYS V 68 1.414 8.077 1.915 1.00 19.87 C ATOM 906 SG CYS V 68 1.509 7.144 3.481 1.00 25.81 S ATOM 0 H CYS V 68 1.665 8.995 -0.390 1.00 27.04 H new ATOM 0 HA CYS V 68 3.289 9.129 2.016 1.00 25.80 H new ATOM 0 HB2 CYS V 68 0.828 8.980 2.083 1.00 19.87 H new ATOM 0 HB3 CYS V 68 0.872 7.477 1.184 1.00 19.87 H new ATOM 911 N VAL V 69 4.908 7.327 1.491 1.00 24.49 N ATOM 912 CA VAL V 69 5.857 6.223 1.322 1.00 24.97 C ATOM 913 C VAL V 69 6.607 5.930 2.628 1.00 22.87 C ATOM 914 O VAL V 69 6.657 6.784 3.513 1.00 22.18 O ATOM 915 CB VAL V 69 6.881 6.538 0.214 1.00 27.35 C ATOM 916 CG1 VAL V 69 6.213 6.520 -1.153 1.00 30.42 C ATOM 917 CG2 VAL V 69 7.555 7.880 0.467 1.00 20.60 C ATOM 0 H VAL V 69 5.303 8.153 1.941 1.00 24.49 H new ATOM 0 HA VAL V 69 5.278 5.344 1.038 1.00 24.97 H new ATOM 0 HB VAL V 69 7.649 5.765 0.230 1.00 27.35 H new ATOM 0 HG11 VAL V 69 6.952 6.745 -1.922 1.00 30.42 H new ATOM 0 HG12 VAL V 69 5.786 5.534 -1.337 1.00 30.42 H new ATOM 0 HG13 VAL V 69 5.421 7.269 -1.181 1.00 30.42 H new ATOM 0 HG21 VAL V 69 8.274 8.082 -0.327 1.00 20.60 H new ATOM 0 HG22 VAL V 69 6.802 8.668 0.484 1.00 20.60 H new ATOM 0 HG23 VAL V 69 8.072 7.852 1.426 1.00 20.60 H new ATOM 927 N PRO V 70 7.203 4.720 2.782 1.00 22.85 N ATOM 928 CA PRO V 70 7.934 4.361 4.001 1.00 23.87 C ATOM 929 C PRO V 70 9.376 4.869 3.998 1.00 26.02 C ATOM 930 O PRO V 70 10.001 4.979 2.944 1.00 27.01 O ATOM 931 CB PRO V 70 7.908 2.837 3.970 1.00 21.90 C ATOM 932 CG PRO V 70 7.954 2.498 2.521 1.00 24.47 C ATOM 933 CD PRO V 70 7.214 3.604 1.802 1.00 20.00 C ATOM 0 HA PRO V 70 7.488 4.802 4.892 1.00 23.87 H new ATOM 0 HB2 PRO V 70 8.758 2.414 4.505 1.00 21.90 H new ATOM 0 HB3 PRO V 70 7.007 2.445 4.442 1.00 21.90 H new ATOM 0 HG2 PRO V 70 8.984 2.428 2.171 1.00 24.47 H new ATOM 0 HG3 PRO V 70 7.487 1.531 2.333 1.00 24.47 H new ATOM 0 HD2 PRO V 70 7.719 3.888 0.878 1.00 20.00 H new ATOM 0 HD3 PRO V 70 6.203 3.299 1.532 1.00 20.00 H new ATOM 941 N THR V 71 9.898 5.174 5.187 1.00 25.47 N ATOM 942 CA THR V 71 11.266 5.668 5.321 1.00 27.81 C ATOM 943 C THR V 71 12.195 4.581 5.858 1.00 28.47 C ATOM 944 O THR V 71 13.386 4.567 5.550 1.00 32.15 O ATOM 945 CB THR V 71 11.298 6.884 6.248 1.00 28.81 C ATOM 946 OG1 THR V 71 10.705 6.577 7.497 1.00 30.56 O ATOM 947 CG2 THR V 71 10.576 8.087 5.680 1.00 24.74 C ATOM 0 H THR V 71 9.393 5.087 6.069 1.00 25.47 H new ATOM 0 HA THR V 71 11.617 5.959 4.331 1.00 27.81 H new ATOM 0 HB THR V 71 12.353 7.134 6.363 1.00 28.81 H new ATOM 0 HG1 THR V 71 10.736 7.366 8.077 1.00 30.56 H new ATOM 0 HG21 THR V 71 10.636 8.915 6.387 1.00 24.74 H new ATOM 0 HG22 THR V 71 11.041 8.379 4.738 1.00 24.74 H new ATOM 0 HG23 THR V 71 9.530 7.835 5.505 1.00 24.74 H new ATOM 955 N GLU V 72 11.646 3.662 6.652 1.00 27.26 N ATOM 956 CA GLU V 72 12.427 2.565 7.217 1.00 28.56 C ATOM 957 C GLU V 72 11.652 1.253 7.077 1.00 30.76 C ATOM 958 O GLU V 72 10.450 1.213 7.330 1.00 26.98 O ATOM 959 CB GLU V 72 12.742 2.835 8.691 1.00 30.51 C ATOM 960 CG GLU V 72 13.875 1.980 9.236 1.00 41.88 C ATOM 961 CD GLU V 72 14.444 2.520 10.532 1.00 50.42 C ATOM 962 OE1 GLU V 72 13.677 2.652 11.510 1.00 53.03 O ATOM 963 OE2 GLU V 72 15.658 2.811 10.572 1.00 48.69 O ATOM 0 H GLU V 72 10.661 3.657 6.918 1.00 27.26 H new ATOM 0 HA GLU V 72 13.368 2.486 6.672 1.00 28.56 H new ATOM 0 HB2 GLU V 72 13.001 3.887 8.812 1.00 30.51 H new ATOM 0 HB3 GLU V 72 11.845 2.657 9.284 1.00 30.51 H new ATOM 0 HG2 GLU V 72 13.513 0.965 9.398 1.00 41.88 H new ATOM 0 HG3 GLU V 72 14.670 1.920 8.492 1.00 41.88 H new ATOM 970 N GLU V 73 12.338 0.193 6.652 1.00 29.52 N ATOM 971 CA GLU V 73 11.693 -1.108 6.455 1.00 27.80 C ATOM 972 C GLU V 73 12.249 -2.176 7.396 1.00 28.67 C ATOM 973 O GLU V 73 13.152 -1.917 8.190 1.00 28.45 O ATOM 974 CB GLU V 73 11.870 -1.558 5.004 1.00 23.36 C ATOM 975 CG GLU V 73 11.137 -0.679 4.006 1.00 28.84 C ATOM 976 CD GLU V 73 11.676 -0.820 2.596 1.00 36.82 C ATOM 977 OE1 GLU V 73 11.271 -1.772 1.898 1.00 37.95 O ATOM 978 OE2 GLU V 73 12.502 0.024 2.190 1.00 43.84 O ATOM 0 H GLU V 73 13.335 0.207 6.438 1.00 29.52 H new ATOM 0 HA GLU V 73 10.634 -0.987 6.684 1.00 27.80 H new ATOM 0 HB2 GLU V 73 12.932 -1.564 4.760 1.00 23.36 H new ATOM 0 HB3 GLU V 73 11.514 -2.583 4.904 1.00 23.36 H new ATOM 0 HG2 GLU V 73 10.077 -0.934 4.013 1.00 28.84 H new ATOM 0 HG3 GLU V 73 11.216 0.362 4.318 1.00 28.84 H new ATOM 985 N SER V 74 11.697 -3.383 7.284 1.00 24.56 N ATOM 986 CA SER V 74 12.126 -4.514 8.108 1.00 27.91 C ATOM 987 C SER V 74 11.432 -5.801 7.673 1.00 27.84 C ATOM 988 O SER V 74 10.309 -5.766 7.174 1.00 27.88 O ATOM 989 CB SER V 74 11.836 -4.236 9.584 1.00 27.06 C ATOM 990 OG SER V 74 12.863 -3.454 10.170 1.00 28.46 O ATOM 0 H SER V 74 10.948 -3.604 6.628 1.00 24.56 H new ATOM 0 HA SER V 74 13.200 -4.641 7.974 1.00 27.91 H new ATOM 0 HB2 SER V 74 10.882 -3.718 9.678 1.00 27.06 H new ATOM 0 HB3 SER V 74 11.741 -5.179 10.123 1.00 27.06 H new ATOM 0 HG SER V 74 13.317 -2.936 9.473 1.00 28.46 H new ATOM 996 N ASN V 75 12.103 -6.934 7.860 1.00 25.22 N ATOM 997 CA ASN V 75 11.541 -8.228 7.477 1.00 22.57 C ATOM 998 C ASN V 75 10.957 -8.954 8.686 1.00 21.68 C ATOM 999 O ASN V 75 11.380 -8.731 9.820 1.00 23.70 O ATOM 1000 CB ASN V 75 12.611 -9.097 6.816 1.00 32.70 C ATOM 1001 CG ASN V 75 13.839 -9.266 7.690 1.00 37.70 C ATOM 1002 OD1 ASN V 75 13.864 -10.106 8.589 1.00 36.91 O ATOM 1003 ND2 ASN V 75 14.868 -8.466 7.430 1.00 43.53 N ATOM 0 H ASN V 75 13.034 -6.984 8.273 1.00 25.22 H new ATOM 0 HA ASN V 75 10.737 -8.046 6.764 1.00 22.57 H new ATOM 0 HB2 ASN V 75 12.191 -10.077 6.591 1.00 32.70 H new ATOM 0 HB3 ASN V 75 12.903 -8.649 5.866 1.00 32.70 H new ATOM 0 HD21 ASN V 75 15.721 -8.535 7.985 1.00 43.53 H new ATOM 0 HD22 ASN V 75 14.805 -7.783 6.675 1.00 43.53 H new ATOM 1010 N ILE V 76 9.981 -9.822 8.433 1.00 19.19 N ATOM 1011 CA ILE V 76 9.332 -10.579 9.497 1.00 16.71 C ATOM 1012 C ILE V 76 9.055 -12.017 9.054 1.00 17.89 C ATOM 1013 O ILE V 76 8.490 -12.254 7.986 1.00 19.29 O ATOM 1014 CB ILE V 76 8.014 -9.896 9.938 1.00 14.75 C ATOM 1015 CG1 ILE V 76 7.393 -10.621 11.135 1.00 17.42 C ATOM 1016 CG2 ILE V 76 7.021 -9.824 8.784 1.00 15.54 C ATOM 1017 CD1 ILE V 76 6.290 -9.832 11.810 1.00 18.82 C ATOM 0 H ILE V 76 9.622 -10.018 7.498 1.00 19.19 H new ATOM 0 HA ILE V 76 10.012 -10.603 10.348 1.00 16.71 H new ATOM 0 HB ILE V 76 8.256 -8.878 10.243 1.00 14.75 H new ATOM 0 HG12 ILE V 76 6.993 -11.579 10.803 1.00 17.42 H new ATOM 0 HG13 ILE V 76 8.174 -10.837 11.864 1.00 17.42 H new ATOM 0 HG21 ILE V 76 6.105 -9.340 9.122 1.00 15.54 H new ATOM 0 HG22 ILE V 76 7.455 -9.249 7.966 1.00 15.54 H new ATOM 0 HG23 ILE V 76 6.792 -10.832 8.437 1.00 15.54 H new ATOM 0 HD11 ILE V 76 5.895 -10.404 12.649 1.00 18.82 H new ATOM 0 HD12 ILE V 76 6.690 -8.885 12.173 1.00 18.82 H new ATOM 0 HD13 ILE V 76 5.491 -9.638 11.094 1.00 18.82 H new ATOM 1029 N THR V 77 9.471 -12.979 9.878 1.00 20.92 N ATOM 1030 CA THR V 77 9.276 -14.394 9.568 1.00 20.91 C ATOM 1031 C THR V 77 7.913 -14.874 10.058 1.00 21.17 C ATOM 1032 O THR V 77 7.436 -14.446 11.109 1.00 19.45 O ATOM 1033 CB THR V 77 10.384 -15.232 10.207 1.00 20.49 C ATOM 1034 OG1 THR V 77 11.620 -14.541 10.172 1.00 23.29 O ATOM 1035 CG2 THR V 77 10.591 -16.570 9.530 1.00 20.19 C ATOM 0 H THR V 77 9.945 -12.804 10.764 1.00 20.92 H new ATOM 0 HA THR V 77 9.316 -14.514 8.485 1.00 20.91 H new ATOM 0 HB THR V 77 10.056 -15.407 11.232 1.00 20.49 H new ATOM 0 HG1 THR V 77 12.315 -15.093 10.587 1.00 23.29 H new ATOM 0 HG21 THR V 77 11.391 -17.113 10.034 1.00 20.19 H new ATOM 0 HG22 THR V 77 9.670 -17.151 9.582 1.00 20.19 H new ATOM 0 HG23 THR V 77 10.861 -16.412 8.486 1.00 20.19 H new ATOM 1043 N MET V 78 7.289 -15.764 9.291 1.00 21.06 N ATOM 1044 CA MET V 78 5.978 -16.300 9.648 1.00 20.85 C ATOM 1045 C MET V 78 5.875 -17.779 9.288 1.00 19.66 C ATOM 1046 O MET V 78 6.716 -18.311 8.564 1.00 22.11 O ATOM 1047 CB MET V 78 4.872 -15.514 8.941 1.00 22.21 C ATOM 1048 CG MET V 78 4.676 -14.114 9.495 1.00 24.83 C ATOM 1049 SD MET V 78 3.557 -13.117 8.492 1.00 25.49 S ATOM 1050 CE MET V 78 3.671 -11.539 9.333 1.00 17.04 C ATOM 0 H MET V 78 7.670 -16.129 8.418 1.00 21.06 H new ATOM 0 HA MET V 78 5.855 -16.198 10.726 1.00 20.85 H new ATOM 0 HB2 MET V 78 5.107 -15.446 7.879 1.00 22.21 H new ATOM 0 HB3 MET V 78 3.935 -16.064 9.026 1.00 22.21 H new ATOM 0 HG2 MET V 78 4.285 -14.181 10.510 1.00 24.83 H new ATOM 0 HG3 MET V 78 5.643 -13.614 9.558 1.00 24.83 H new ATOM 0 HE1 MET V 78 2.805 -10.928 9.079 1.00 17.04 H new ATOM 0 HE2 MET V 78 3.697 -11.702 10.410 1.00 17.04 H new ATOM 0 HE3 MET V 78 4.581 -11.026 9.022 1.00 17.04 H new ATOM 1060 N GLN V 79 4.834 -18.434 9.797 1.00 18.85 N ATOM 1061 CA GLN V 79 4.609 -19.853 9.528 1.00 20.85 C ATOM 1062 C GLN V 79 3.447 -20.040 8.554 1.00 21.48 C ATOM 1063 O GLN V 79 2.334 -19.586 8.812 1.00 23.73 O ATOM 1064 CB GLN V 79 4.318 -20.597 10.834 1.00 20.75 C ATOM 1065 CG GLN V 79 5.553 -20.829 11.689 1.00 19.93 C ATOM 1066 CD GLN V 79 5.363 -21.947 12.696 1.00 21.54 C ATOM 1067 OE1 GLN V 79 4.765 -22.978 12.391 1.00 25.72 O ATOM 1068 NE2 GLN V 79 5.871 -21.746 13.907 1.00 25.09 N ATOM 0 H GLN V 79 4.132 -18.004 10.399 1.00 18.85 H new ATOM 0 HA GLN V 79 5.512 -20.264 9.075 1.00 20.85 H new ATOM 0 HB2 GLN V 79 3.588 -20.029 11.411 1.00 20.75 H new ATOM 0 HB3 GLN V 79 3.862 -21.559 10.601 1.00 20.75 H new ATOM 0 HG2 GLN V 79 6.398 -21.066 11.043 1.00 19.93 H new ATOM 0 HG3 GLN V 79 5.804 -19.909 12.216 1.00 19.93 H new ATOM 0 HE21 GLN V 79 6.360 -20.876 14.117 1.00 25.09 H new ATOM 0 HE22 GLN V 79 5.772 -22.462 14.627 1.00 25.09 H new ATOM 1077 N ILE V 80 3.714 -20.714 7.436 1.00 19.06 N ATOM 1078 CA ILE V 80 2.689 -20.964 6.424 1.00 23.90 C ATOM 1079 C ILE V 80 2.627 -22.447 6.071 1.00 24.16 C ATOM 1080 O ILE V 80 3.653 -23.123 6.018 1.00 24.64 O ATOM 1081 CB ILE V 80 2.943 -20.157 5.130 1.00 27.40 C ATOM 1082 CG1 ILE V 80 3.298 -18.700 5.447 1.00 27.18 C ATOM 1083 CG2 ILE V 80 1.723 -20.218 4.223 1.00 25.74 C ATOM 1084 CD1 ILE V 80 2.204 -17.952 6.179 1.00 21.61 C ATOM 0 H ILE V 80 4.632 -21.097 7.208 1.00 19.06 H new ATOM 0 HA ILE V 80 1.741 -20.643 6.856 1.00 23.90 H new ATOM 0 HB ILE V 80 3.791 -20.606 4.613 1.00 27.40 H new ATOM 0 HG12 ILE V 80 4.206 -18.680 6.050 1.00 27.18 H new ATOM 0 HG13 ILE V 80 3.522 -18.179 4.516 1.00 27.18 H new ATOM 0 HG21 ILE V 80 1.915 -19.646 3.316 1.00 25.74 H new ATOM 0 HG22 ILE V 80 1.516 -21.256 3.961 1.00 25.74 H new ATOM 0 HG23 ILE V 80 0.862 -19.797 4.742 1.00 25.74 H new ATOM 0 HD11 ILE V 80 2.527 -16.928 6.369 1.00 21.61 H new ATOM 0 HD12 ILE V 80 1.301 -17.940 5.569 1.00 21.61 H new ATOM 0 HD13 ILE V 80 1.995 -18.448 7.127 1.00 21.61 H new ATOM 1096 N MET V 81 1.417 -22.946 5.829 1.00 23.63 N ATOM 1097 CA MET V 81 1.224 -24.348 5.481 1.00 25.49 C ATOM 1098 C MET V 81 1.200 -24.536 3.965 1.00 26.34 C ATOM 1099 O MET V 81 0.242 -24.147 3.297 1.00 25.53 O ATOM 1100 CB MET V 81 -0.076 -24.878 6.093 1.00 27.62 C ATOM 1101 CG MET V 81 -0.247 -26.385 5.939 1.00 37.06 C ATOM 1102 SD MET V 81 -0.880 -27.185 7.428 1.00 40.87 S ATOM 1103 CE MET V 81 -2.466 -26.376 7.614 1.00 39.81 C ATOM 0 H MET V 81 0.557 -22.399 5.868 1.00 23.63 H new ATOM 0 HA MET V 81 2.063 -24.913 5.887 1.00 25.49 H new ATOM 0 HB2 MET V 81 -0.100 -24.623 7.153 1.00 27.62 H new ATOM 0 HB3 MET V 81 -0.921 -24.374 5.625 1.00 27.62 H new ATOM 0 HG2 MET V 81 -0.927 -26.584 5.111 1.00 37.06 H new ATOM 0 HG3 MET V 81 0.714 -26.828 5.677 1.00 37.06 H new ATOM 0 HE1 MET V 81 -2.664 -26.203 8.672 1.00 39.81 H new ATOM 0 HE2 MET V 81 -2.452 -25.422 7.086 1.00 39.81 H new ATOM 0 HE3 MET V 81 -3.249 -27.010 7.197 1.00 39.81 H new ATOM 1113 N ARG V 82 2.259 -25.138 3.429 1.00 22.68 N ATOM 1114 CA ARG V 82 2.360 -25.380 1.994 1.00 26.03 C ATOM 1115 C ARG V 82 1.752 -26.731 1.623 1.00 29.02 C ATOM 1116 O ARG V 82 2.270 -27.777 2.008 1.00 26.53 O ATOM 1117 CB ARG V 82 3.823 -25.334 1.547 1.00 28.90 C ATOM 1118 CG ARG V 82 4.439 -23.947 1.612 1.00 29.08 C ATOM 1119 CD ARG V 82 5.586 -23.796 0.625 1.00 32.85 C ATOM 1120 NE ARG V 82 6.861 -24.252 1.181 1.00 34.24 N ATOM 1121 CZ ARG V 82 7.484 -23.681 2.217 1.00 29.89 C ATOM 1122 NH1 ARG V 82 6.962 -22.622 2.829 1.00 31.52 N ATOM 1123 NH2 ARG V 82 8.644 -24.172 2.637 1.00 30.29 N ATOM 0 H ARG V 82 3.060 -25.467 3.968 1.00 22.68 H new ATOM 0 HA ARG V 82 1.803 -24.595 1.482 1.00 26.03 H new ATOM 0 HB2 ARG V 82 4.406 -26.010 2.172 1.00 28.90 H new ATOM 0 HB3 ARG V 82 3.893 -25.705 0.525 1.00 28.90 H new ATOM 0 HG2 ARG V 82 3.675 -23.199 1.400 1.00 29.08 H new ATOM 0 HG3 ARG V 82 4.800 -23.756 2.622 1.00 29.08 H new ATOM 0 HD2 ARG V 82 5.362 -24.364 -0.278 1.00 32.85 H new ATOM 0 HD3 ARG V 82 5.674 -22.750 0.331 1.00 32.85 H new ATOM 0 HE ARG V 82 7.305 -25.062 0.748 1.00 34.24 H new ATOM 0 HH11 ARG V 82 6.074 -22.234 2.509 1.00 31.52 H new ATOM 0 HH12 ARG V 82 7.449 -22.197 3.618 1.00 31.52 H new ATOM 0 HH21 ARG V 82 9.055 -24.980 2.170 1.00 30.29 H new ATOM 0 HH22 ARG V 82 9.124 -23.741 3.427 1.00 30.29 H new ATOM 1137 N ILE V 83 0.654 -26.698 0.871 1.00 28.50 N ATOM 1138 CA ILE V 83 -0.023 -27.920 0.438 1.00 33.90 C ATOM 1139 C ILE V 83 -0.004 -28.035 -1.088 1.00 36.63 C ATOM 1140 O ILE V 83 -0.318 -27.077 -1.791 1.00 33.08 O ATOM 1141 CB ILE V 83 -1.486 -27.968 0.934 1.00 35.04 C ATOM 1142 CG1 ILE V 83 -1.559 -27.648 2.429 1.00 32.40 C ATOM 1143 CG2 ILE V 83 -2.102 -29.335 0.657 1.00 32.49 C ATOM 1144 CD1 ILE V 83 -2.966 -27.376 2.918 1.00 27.01 C ATOM 0 H ILE V 83 0.213 -25.837 0.548 1.00 28.50 H new ATOM 0 HA ILE V 83 0.519 -28.759 0.875 1.00 33.90 H new ATOM 0 HB ILE V 83 -2.054 -27.214 0.389 1.00 35.04 H new ATOM 0 HG12 ILE V 83 -1.142 -28.483 2.992 1.00 32.40 H new ATOM 0 HG13 ILE V 83 -0.935 -26.779 2.638 1.00 32.40 H new ATOM 0 HG21 ILE V 83 -3.132 -29.349 1.013 1.00 32.49 H new ATOM 0 HG22 ILE V 83 -2.086 -29.531 -0.415 1.00 32.49 H new ATOM 0 HG23 ILE V 83 -1.529 -30.104 1.175 1.00 32.49 H new ATOM 0 HD11 ILE V 83 -2.944 -27.156 3.985 1.00 27.01 H new ATOM 0 HD12 ILE V 83 -3.379 -26.523 2.380 1.00 27.01 H new ATOM 0 HD13 ILE V 83 -3.589 -28.253 2.741 1.00 27.01 H new ATOM 1156 N LYS V 84 0.372 -29.210 -1.592 1.00 42.34 N ATOM 1157 CA LYS V 84 0.438 -29.447 -3.037 1.00 48.29 C ATOM 1158 C LYS V 84 -0.563 -30.532 -3.456 1.00 55.07 C ATOM 1159 O LYS V 84 -0.608 -31.595 -2.836 1.00 53.34 O ATOM 1160 CB LYS V 84 1.861 -29.875 -3.430 1.00 46.22 C ATOM 1161 CG LYS V 84 2.289 -29.385 -4.811 1.00 39.33 C ATOM 1162 CD LYS V 84 2.615 -30.530 -5.763 1.00 39.44 C ATOM 1163 CE LYS V 84 4.012 -31.077 -5.523 1.00 38.90 C ATOM 1164 NZ LYS V 84 5.041 -30.341 -6.310 1.00 37.73 N ATOM 0 H LYS V 84 0.636 -30.014 -1.022 1.00 42.34 H new ATOM 0 HA LYS V 84 0.181 -28.521 -3.551 1.00 48.29 H new ATOM 0 HB2 LYS V 84 2.563 -29.498 -2.686 1.00 46.22 H new ATOM 0 HB3 LYS V 84 1.924 -30.963 -3.404 1.00 46.22 H new ATOM 0 HG2 LYS V 84 1.493 -28.776 -5.240 1.00 39.33 H new ATOM 0 HG3 LYS V 84 3.163 -28.741 -4.710 1.00 39.33 H new ATOM 0 HD2 LYS V 84 1.884 -31.329 -5.636 1.00 39.44 H new ATOM 0 HD3 LYS V 84 2.532 -30.183 -6.793 1.00 39.44 H new ATOM 0 HE2 LYS V 84 4.250 -31.010 -4.462 1.00 38.90 H new ATOM 0 HE3 LYS V 84 4.039 -32.134 -5.789 1.00 38.90 H new ATOM 0 HZ1 LYS V 84 5.978 -30.756 -6.131 1.00 37.73 H new ATOM 0 HZ2 LYS V 84 4.819 -30.412 -7.324 1.00 37.73 H new ATOM 0 HZ3 LYS V 84 5.046 -29.341 -6.026 1.00 37.73 H new ATOM 1178 N PRO V 85 -1.389 -30.299 -4.507 1.00 61.70 N ATOM 1179 CA PRO V 85 -2.371 -31.299 -4.958 1.00 63.34 C ATOM 1180 C PRO V 85 -1.713 -32.620 -5.363 1.00 64.98 C ATOM 1181 O PRO V 85 -0.640 -32.629 -5.967 1.00 65.56 O ATOM 1182 CB PRO V 85 -3.046 -30.635 -6.168 1.00 68.37 C ATOM 1183 CG PRO V 85 -2.794 -29.178 -5.996 1.00 67.86 C ATOM 1184 CD PRO V 85 -1.447 -29.073 -5.332 1.00 65.70 C ATOM 0 HA PRO V 85 -3.070 -31.563 -4.165 1.00 63.34 H new ATOM 0 HB2 PRO V 85 -2.626 -31.001 -7.105 1.00 68.37 H new ATOM 0 HB3 PRO V 85 -4.114 -30.851 -6.192 1.00 68.37 H new ATOM 0 HG2 PRO V 85 -2.798 -28.664 -6.957 1.00 67.86 H new ATOM 0 HG3 PRO V 85 -3.569 -28.716 -5.384 1.00 67.86 H new ATOM 0 HD2 PRO V 85 -0.638 -29.039 -6.062 1.00 65.70 H new ATOM 0 HD3 PRO V 85 -1.366 -28.172 -4.724 1.00 65.70 H new ATOM 1192 N HIS V 86 -2.372 -33.735 -5.026 1.00 65.55 N ATOM 1193 CA HIS V 86 -1.880 -35.090 -5.345 1.00 67.37 C ATOM 1194 C HIS V 86 -0.697 -35.529 -4.459 1.00 66.73 C ATOM 1195 O HIS V 86 -0.201 -36.645 -4.620 1.00 65.90 O ATOM 1196 CB HIS V 86 -1.477 -35.211 -6.828 1.00 73.07 C ATOM 1197 CG HIS V 86 -1.773 -36.554 -7.425 1.00 78.17 C ATOM 1198 ND1 HIS V 86 -2.115 -36.730 -8.752 1.00 78.80 N ATOM 1199 CD2 HIS V 86 -1.773 -37.791 -6.874 1.00 79.03 C ATOM 1200 CE1 HIS V 86 -2.314 -38.014 -8.987 1.00 78.80 C ATOM 1201 NE2 HIS V 86 -2.112 -38.680 -7.866 1.00 81.65 N ATOM 0 H HIS V 86 -3.261 -33.729 -4.525 1.00 65.55 H new ATOM 0 HA HIS V 86 -2.717 -35.757 -5.139 1.00 67.37 H new ATOM 0 HB2 HIS V 86 -2.000 -34.445 -7.401 1.00 73.07 H new ATOM 0 HB3 HIS V 86 -0.410 -35.008 -6.923 1.00 73.07 H new ATOM 0 HD2 HIS V 86 -1.548 -38.034 -5.846 1.00 79.03 H new ATOM 0 HE1 HIS V 86 -2.595 -38.446 -9.936 1.00 78.80 H new ATOM 0 HE2 HIS V 86 -2.194 -39.690 -7.754 1.00 81.65 H new ATOM 1209 N GLN V 87 -0.241 -34.673 -3.534 1.00 67.29 N ATOM 1210 CA GLN V 87 0.881 -35.020 -2.657 1.00 64.97 C ATOM 1211 C GLN V 87 0.472 -34.888 -1.164 1.00 61.54 C ATOM 1212 O GLN V 87 -0.412 -35.623 -0.721 1.00 63.28 O ATOM 1213 CB GLN V 87 2.093 -34.157 -3.041 1.00 68.32 C ATOM 1214 CG GLN V 87 3.404 -34.637 -2.444 1.00 68.50 C ATOM 1215 CD GLN V 87 4.611 -34.216 -3.263 1.00 69.03 C ATOM 1216 OE1 GLN V 87 5.540 -33.597 -2.745 1.00 69.28 O ATOM 1217 NE2 GLN V 87 4.606 -34.554 -4.549 1.00 57.72 N ATOM 0 H GLN V 87 -0.629 -33.743 -3.376 1.00 67.29 H new ATOM 0 HA GLN V 87 1.165 -36.064 -2.790 1.00 64.97 H new ATOM 0 HB2 GLN V 87 2.185 -34.139 -4.127 1.00 68.32 H new ATOM 0 HB3 GLN V 87 1.913 -33.131 -2.720 1.00 68.32 H new ATOM 0 HG2 GLN V 87 3.502 -34.245 -1.432 1.00 68.50 H new ATOM 0 HG3 GLN V 87 3.386 -35.724 -2.364 1.00 68.50 H new ATOM 0 HE21 GLN V 87 3.815 -35.067 -4.938 1.00 57.72 H new ATOM 0 HE22 GLN V 87 5.393 -34.300 -5.146 1.00 57.72 H new ATOM 1226 N GLY V 88 1.082 -33.971 -0.376 1.00 55.55 N ATOM 1227 CA GLY V 88 0.702 -33.829 1.029 1.00 50.17 C ATOM 1228 C GLY V 88 0.908 -32.416 1.548 1.00 43.42 C ATOM 1229 O GLY V 88 1.158 -31.496 0.767 1.00 40.90 O ATOM 0 H GLY V 88 1.819 -33.339 -0.688 1.00 55.55 H new ATOM 0 HA2 GLY V 88 -0.345 -34.107 1.149 1.00 50.17 H new ATOM 0 HA3 GLY V 88 1.287 -34.523 1.632 1.00 50.17 H new ATOM 1233 N GLN V 89 0.801 -32.239 2.866 1.00 41.25 N ATOM 1234 CA GLN V 89 0.977 -30.927 3.482 1.00 40.25 C ATOM 1235 C GLN V 89 2.387 -30.772 4.050 1.00 38.52 C ATOM 1236 O GLN V 89 3.107 -31.757 4.218 1.00 36.80 O ATOM 1237 CB GLN V 89 -0.057 -30.722 4.591 1.00 45.54 C ATOM 1238 CG GLN V 89 -1.485 -31.021 4.154 1.00 60.10 C ATOM 1239 CD GLN V 89 -2.283 -31.769 5.207 1.00 66.90 C ATOM 1240 OE1 GLN V 89 -3.279 -31.259 5.723 1.00 72.17 O ATOM 1241 NE2 GLN V 89 -1.854 -32.984 5.527 1.00 66.90 N ATOM 0 H GLN V 89 0.593 -32.989 3.526 1.00 41.25 H new ATOM 0 HA GLN V 89 0.833 -30.170 2.712 1.00 40.25 H new ATOM 0 HB2 GLN V 89 0.197 -31.361 5.436 1.00 45.54 H new ATOM 0 HB3 GLN V 89 -0.001 -29.692 4.943 1.00 45.54 H new ATOM 0 HG2 GLN V 89 -1.991 -30.084 3.920 1.00 60.10 H new ATOM 0 HG3 GLN V 89 -1.463 -31.609 3.237 1.00 60.10 H new ATOM 0 HE21 GLN V 89 -1.024 -33.367 5.074 1.00 66.90 H new ATOM 0 HE22 GLN V 89 -2.354 -33.534 6.225 1.00 66.90 H new ATOM 1250 N HIS V 90 2.775 -29.533 4.342 1.00 30.16 N ATOM 1251 CA HIS V 90 4.100 -29.257 4.891 1.00 26.80 C ATOM 1252 C HIS V 90 4.210 -27.806 5.357 1.00 23.14 C ATOM 1253 O HIS V 90 3.950 -26.879 4.591 1.00 22.13 O ATOM 1254 CB HIS V 90 5.176 -29.548 3.845 1.00 28.84 C ATOM 1255 CG HIS V 90 6.565 -29.549 4.402 1.00 37.61 C ATOM 1256 ND1 HIS V 90 7.060 -30.568 5.189 1.00 39.79 N ATOM 1257 CD2 HIS V 90 7.570 -28.649 4.281 1.00 35.51 C ATOM 1258 CE1 HIS V 90 8.307 -30.293 5.529 1.00 37.08 C ATOM 1259 NE2 HIS V 90 8.641 -29.135 4.990 1.00 32.52 N ATOM 0 H HIS V 90 2.193 -28.706 4.208 1.00 30.16 H new ATOM 0 HA HIS V 90 4.250 -29.908 5.753 1.00 26.80 H new ATOM 0 HB2 HIS V 90 4.975 -30.517 3.389 1.00 28.84 H new ATOM 0 HB3 HIS V 90 5.112 -28.803 3.052 1.00 28.84 H new ATOM 0 HD2 HIS V 90 7.535 -27.721 3.729 1.00 35.51 H new ATOM 0 HE1 HIS V 90 8.945 -30.911 6.144 1.00 37.08 H new ATOM 0 HE2 HIS V 90 9.547 -28.676 5.085 1.00 32.52 H new ATOM 1267 N ILE V 91 4.607 -27.619 6.615 1.00 21.74 N ATOM 1268 CA ILE V 91 4.760 -26.281 7.178 1.00 20.39 C ATOM 1269 C ILE V 91 6.107 -25.681 6.785 1.00 22.91 C ATOM 1270 O ILE V 91 7.124 -26.378 6.755 1.00 22.73 O ATOM 1271 CB ILE V 91 4.640 -26.290 8.719 1.00 19.29 C ATOM 1272 CG1 ILE V 91 3.404 -27.081 9.161 1.00 20.85 C ATOM 1273 CG2 ILE V 91 4.581 -24.868 9.261 1.00 19.00 C ATOM 1274 CD1 ILE V 91 2.099 -26.494 8.667 1.00 23.79 C ATOM 0 H ILE V 91 4.828 -28.376 7.261 1.00 21.74 H new ATOM 0 HA ILE V 91 3.954 -25.671 6.771 1.00 20.39 H new ATOM 0 HB ILE V 91 5.525 -26.778 9.126 1.00 19.29 H new ATOM 0 HG12 ILE V 91 3.491 -28.106 8.800 1.00 20.85 H new ATOM 0 HG13 ILE V 91 3.383 -27.127 10.250 1.00 20.85 H new ATOM 0 HG21 ILE V 91 4.497 -24.896 10.347 1.00 19.00 H new ATOM 0 HG22 ILE V 91 5.489 -24.334 8.981 1.00 19.00 H new ATOM 0 HG23 ILE V 91 3.715 -24.355 8.843 1.00 19.00 H new ATOM 0 HD11 ILE V 91 1.268 -27.106 9.018 1.00 23.79 H new ATOM 0 HD12 ILE V 91 1.989 -25.479 9.049 1.00 23.79 H new ATOM 0 HD13 ILE V 91 2.099 -26.473 7.577 1.00 23.79 H new ATOM 1286 N GLY V 92 6.107 -24.386 6.479 1.00 23.71 N ATOM 1287 CA GLY V 92 7.335 -23.711 6.086 1.00 25.28 C ATOM 1288 C GLY V 92 7.411 -22.286 6.601 1.00 30.60 C ATOM 1289 O GLY V 92 6.392 -21.682 6.936 1.00 28.06 O ATOM 0 H GLY V 92 5.279 -23.791 6.496 1.00 23.71 H new ATOM 0 HA2 GLY V 92 8.190 -24.274 6.460 1.00 25.28 H new ATOM 0 HA3 GLY V 92 7.409 -23.704 4.999 1.00 25.28 H new ATOM 1293 N GLU V 93 8.625 -21.746 6.659 1.00 26.91 N ATOM 1294 CA GLU V 93 8.835 -20.381 7.131 1.00 30.60 C ATOM 1295 C GLU V 93 8.932 -19.414 5.956 1.00 29.58 C ATOM 1296 O GLU V 93 9.628 -19.683 4.977 1.00 32.17 O ATOM 1297 CB GLU V 93 10.105 -20.305 7.981 1.00 28.12 C ATOM 1298 CG GLU V 93 10.069 -21.203 9.206 1.00 32.39 C ATOM 1299 CD GLU V 93 11.357 -21.155 10.005 1.00 32.67 C ATOM 1300 OE1 GLU V 93 11.504 -20.237 10.839 1.00 30.48 O ATOM 1301 OE2 GLU V 93 12.217 -22.036 9.798 1.00 32.48 O ATOM 0 H GLU V 93 9.478 -22.233 6.385 1.00 26.91 H new ATOM 0 HA GLU V 93 7.981 -20.095 7.744 1.00 30.60 H new ATOM 0 HB2 GLU V 93 10.962 -20.578 7.365 1.00 28.12 H new ATOM 0 HB3 GLU V 93 10.258 -19.274 8.300 1.00 28.12 H new ATOM 0 HG2 GLU V 93 9.238 -20.905 9.846 1.00 32.39 H new ATOM 0 HG3 GLU V 93 9.878 -22.230 8.893 1.00 32.39 H new ATOM 1308 N MET V 94 8.228 -18.291 6.059 1.00 27.52 N ATOM 1309 CA MET V 94 8.232 -17.283 5.001 1.00 24.89 C ATOM 1310 C MET V 94 8.450 -15.890 5.579 1.00 26.54 C ATOM 1311 O MET V 94 7.759 -15.478 6.511 1.00 25.12 O ATOM 1312 CB MET V 94 6.914 -17.322 4.228 1.00 28.07 C ATOM 1313 CG MET V 94 6.722 -18.594 3.421 1.00 30.85 C ATOM 1314 SD MET V 94 7.579 -18.546 1.836 1.00 33.81 S ATOM 1315 CE MET V 94 6.239 -18.087 0.740 1.00 19.26 C ATOM 0 H MET V 94 7.647 -18.055 6.864 1.00 27.52 H new ATOM 0 HA MET V 94 9.053 -17.509 4.321 1.00 24.89 H new ATOM 0 HB2 MET V 94 6.087 -17.219 4.930 1.00 28.07 H new ATOM 0 HB3 MET V 94 6.871 -16.465 3.556 1.00 28.07 H new ATOM 0 HG2 MET V 94 7.083 -19.445 3.999 1.00 30.85 H new ATOM 0 HG3 MET V 94 5.658 -18.754 3.249 1.00 30.85 H new ATOM 0 HE1 MET V 94 6.612 -18.017 -0.282 1.00 19.26 H new ATOM 0 HE2 MET V 94 5.454 -18.842 0.788 1.00 19.26 H new ATOM 0 HE3 MET V 94 5.833 -17.122 1.045 1.00 19.26 H new ATOM 1325 N SER V 95 9.412 -15.169 5.015 1.00 24.42 N ATOM 1326 CA SER V 95 9.721 -13.819 5.468 1.00 25.66 C ATOM 1327 C SER V 95 9.026 -12.783 4.591 1.00 23.92 C ATOM 1328 O SER V 95 8.910 -12.963 3.378 1.00 25.40 O ATOM 1329 CB SER V 95 11.233 -13.587 5.455 1.00 22.91 C ATOM 1330 OG SER V 95 11.778 -13.847 4.173 1.00 33.51 O ATOM 0 H SER V 95 9.992 -15.497 4.243 1.00 24.42 H new ATOM 0 HA SER V 95 9.355 -13.710 6.489 1.00 25.66 H new ATOM 0 HB2 SER V 95 11.449 -12.558 5.743 1.00 22.91 H new ATOM 0 HB3 SER V 95 11.709 -14.232 6.194 1.00 22.91 H new ATOM 0 HG SER V 95 12.745 -13.690 4.191 1.00 33.51 H new ATOM 1336 N PHE V 96 8.566 -11.700 5.210 1.00 22.47 N ATOM 1337 CA PHE V 96 7.882 -10.634 4.487 1.00 21.67 C ATOM 1338 C PHE V 96 8.413 -9.269 4.915 1.00 22.75 C ATOM 1339 O PHE V 96 8.867 -9.095 6.046 1.00 21.39 O ATOM 1340 CB PHE V 96 6.372 -10.709 4.732 1.00 19.19 C ATOM 1341 CG PHE V 96 5.747 -11.991 4.254 1.00 18.62 C ATOM 1342 CD1 PHE V 96 5.710 -13.107 5.075 1.00 22.40 C ATOM 1343 CD2 PHE V 96 5.197 -12.080 2.984 1.00 21.41 C ATOM 1344 CE1 PHE V 96 5.137 -14.288 4.640 1.00 24.54 C ATOM 1345 CE2 PHE V 96 4.623 -13.257 2.544 1.00 20.38 C ATOM 1346 CZ PHE V 96 4.593 -14.362 3.372 1.00 23.19 C ATOM 0 H PHE V 96 8.655 -11.538 6.213 1.00 22.47 H new ATOM 0 HA PHE V 96 8.074 -10.764 3.422 1.00 21.67 H new ATOM 0 HB2 PHE V 96 6.180 -10.597 5.799 1.00 19.19 H new ATOM 0 HB3 PHE V 96 5.889 -9.870 4.231 1.00 19.19 H new ATOM 0 HD1 PHE V 96 6.134 -13.054 6.067 1.00 22.40 H new ATOM 0 HD2 PHE V 96 5.218 -11.220 2.332 1.00 21.41 H new ATOM 0 HE1 PHE V 96 5.115 -15.150 5.290 1.00 24.54 H new ATOM 0 HE2 PHE V 96 4.198 -13.313 1.553 1.00 20.38 H new ATOM 0 HZ PHE V 96 4.145 -15.283 3.029 1.00 23.19 H new ATOM 1356 N LEU V 97 8.356 -8.305 4.002 1.00 20.56 N ATOM 1357 CA LEU V 97 8.833 -6.955 4.281 1.00 24.42 C ATOM 1358 C LEU V 97 7.700 -6.070 4.788 1.00 21.90 C ATOM 1359 O LEU V 97 6.605 -6.067 4.225 1.00 22.02 O ATOM 1360 CB LEU V 97 9.449 -6.342 3.019 1.00 24.26 C ATOM 1361 CG LEU V 97 10.226 -5.040 3.247 1.00 27.32 C ATOM 1362 CD1 LEU V 97 11.417 -4.943 2.306 1.00 31.58 C ATOM 1363 CD2 LEU V 97 9.313 -3.835 3.068 1.00 27.02 C ATOM 0 H LEU V 97 7.984 -8.434 3.061 1.00 20.56 H new ATOM 0 HA LEU V 97 9.594 -7.018 5.058 1.00 24.42 H new ATOM 0 HB2 LEU V 97 10.119 -7.073 2.567 1.00 24.26 H new ATOM 0 HB3 LEU V 97 8.653 -6.152 2.299 1.00 24.26 H new ATOM 0 HG LEU V 97 10.600 -5.047 4.271 1.00 27.32 H new ATOM 0 HD11 LEU V 97 11.950 -4.010 2.489 1.00 31.58 H new ATOM 0 HD12 LEU V 97 12.088 -5.785 2.480 1.00 31.58 H new ATOM 0 HD13 LEU V 97 11.068 -4.965 1.274 1.00 31.58 H new ATOM 0 HD21 LEU V 97 9.882 -2.920 3.234 1.00 27.02 H new ATOM 0 HD22 LEU V 97 8.908 -3.832 2.056 1.00 27.02 H new ATOM 0 HD23 LEU V 97 8.495 -3.889 3.786 1.00 27.02 H new ATOM 1375 N GLN V 98 7.966 -5.318 5.855 1.00 20.00 N ATOM 1376 CA GLN V 98 6.972 -4.421 6.442 1.00 17.91 C ATOM 1377 C GLN V 98 7.514 -2.995 6.507 1.00 21.86 C ATOM 1378 O GLN V 98 8.698 -2.763 6.260 1.00 22.17 O ATOM 1379 CB GLN V 98 6.592 -4.887 7.853 1.00 18.24 C ATOM 1380 CG GLN V 98 6.322 -6.378 7.959 1.00 18.23 C ATOM 1381 CD GLN V 98 6.038 -6.818 9.384 1.00 17.45 C ATOM 1382 OE1 GLN V 98 4.969 -7.350 9.680 1.00 18.68 O ATOM 1383 NE2 GLN V 98 6.998 -6.596 10.276 1.00 19.34 N ATOM 0 H GLN V 98 8.867 -5.313 6.333 1.00 20.00 H new ATOM 0 HA GLN V 98 6.084 -4.440 5.809 1.00 17.91 H new ATOM 0 HB2 GLN V 98 7.396 -4.624 8.540 1.00 18.24 H new ATOM 0 HB3 GLN V 98 5.705 -4.343 8.177 1.00 18.24 H new ATOM 0 HG2 GLN V 98 5.473 -6.636 7.327 1.00 18.23 H new ATOM 0 HG3 GLN V 98 7.182 -6.928 7.577 1.00 18.23 H new ATOM 0 HE21 GLN V 98 7.870 -6.152 9.987 1.00 19.34 H new ATOM 0 HE22 GLN V 98 6.863 -6.870 11.249 1.00 19.34 H new ATOM 1392 N HIS V 99 6.640 -2.048 6.842 1.00 19.16 N ATOM 1393 CA HIS V 99 7.026 -0.642 6.941 1.00 18.12 C ATOM 1394 C HIS V 99 7.073 -0.181 8.400 1.00 20.77 C ATOM 1395 O HIS V 99 6.087 -0.288 9.129 1.00 22.28 O ATOM 1396 CB HIS V 99 6.048 0.227 6.146 1.00 19.03 C ATOM 1397 CG HIS V 99 6.029 -0.085 4.679 1.00 19.86 C ATOM 1398 ND1 HIS V 99 5.227 0.584 3.777 1.00 18.07 N ATOM 1399 CD2 HIS V 99 6.716 -1.004 3.956 1.00 16.80 C ATOM 1400 CE1 HIS V 99 5.420 0.090 2.566 1.00 19.28 C ATOM 1401 NE2 HIS V 99 6.318 -0.873 2.648 1.00 20.20 N ATOM 0 H HIS V 99 5.658 -2.229 7.050 1.00 19.16 H new ATOM 0 HA HIS V 99 8.026 -0.535 6.521 1.00 18.12 H new ATOM 0 HB2 HIS V 99 5.045 0.095 6.551 1.00 19.03 H new ATOM 0 HB3 HIS V 99 6.311 1.276 6.283 1.00 19.03 H new ATOM 0 HD2 HIS V 99 7.441 -1.708 4.338 1.00 16.80 H new ATOM 0 HE1 HIS V 99 4.927 0.419 1.663 1.00 19.28 H new ATOM 0 HE2 HIS V 99 6.661 -1.431 1.866 1.00 20.20 H new ATOM 1409 N ASN V 100 8.231 0.325 8.811 1.00 20.31 N ATOM 1410 CA ASN V 100 8.422 0.800 10.178 1.00 21.30 C ATOM 1411 C ASN V 100 8.005 2.263 10.320 1.00 22.42 C ATOM 1412 O ASN V 100 7.228 2.610 11.209 1.00 22.11 O ATOM 1413 CB ASN V 100 9.879 0.627 10.605 1.00 22.57 C ATOM 1414 CG ASN V 100 10.169 -0.774 11.110 1.00 23.44 C ATOM 1415 OD1 ASN V 100 9.326 -1.398 11.754 1.00 24.17 O ATOM 1416 ND2 ASN V 100 11.362 -1.276 10.818 1.00 23.29 N ATOM 0 H ASN V 100 9.054 0.417 8.216 1.00 20.31 H new ATOM 0 HA ASN V 100 7.787 0.200 10.830 1.00 21.30 H new ATOM 0 HB2 ASN V 100 10.531 0.849 9.760 1.00 22.57 H new ATOM 0 HB3 ASN V 100 10.114 1.349 11.387 1.00 22.57 H new ATOM 0 HD21 ASN V 100 11.611 -2.215 11.130 1.00 23.29 H new ATOM 0 HD22 ASN V 100 12.030 -0.723 10.281 1.00 23.29 H new ATOM 1423 N LYS V 101 8.529 3.113 9.441 1.00 23.60 N ATOM 1424 CA LYS V 101 8.215 4.541 9.472 1.00 23.04 C ATOM 1425 C LYS V 101 7.654 5.010 8.131 1.00 23.90 C ATOM 1426 O LYS V 101 8.001 4.471 7.080 1.00 22.19 O ATOM 1427 CB LYS V 101 9.470 5.346 9.819 1.00 21.43 C ATOM 1428 CG LYS V 101 9.964 5.112 11.237 1.00 31.70 C ATOM 1429 CD LYS V 101 10.937 6.194 11.677 1.00 42.57 C ATOM 1430 CE LYS V 101 12.285 6.047 10.988 1.00 45.78 C ATOM 1431 NZ LYS V 101 13.085 7.301 11.059 1.00 49.66 N ATOM 0 H LYS V 101 9.173 2.839 8.699 1.00 23.60 H new ATOM 0 HA LYS V 101 7.456 4.704 10.237 1.00 23.04 H new ATOM 0 HB2 LYS V 101 10.264 5.087 9.118 1.00 21.43 H new ATOM 0 HB3 LYS V 101 9.260 6.407 9.686 1.00 21.43 H new ATOM 0 HG2 LYS V 101 9.114 5.087 11.919 1.00 31.70 H new ATOM 0 HG3 LYS V 101 10.450 4.138 11.297 1.00 31.70 H new ATOM 0 HD2 LYS V 101 10.518 7.175 11.452 1.00 42.57 H new ATOM 0 HD3 LYS V 101 11.072 6.145 12.757 1.00 42.57 H new ATOM 0 HE2 LYS V 101 12.843 5.234 11.452 1.00 45.78 H new ATOM 0 HE3 LYS V 101 12.131 5.773 9.944 1.00 45.78 H new ATOM 0 HZ1 LYS V 101 13.996 7.159 10.578 1.00 49.66 H new ATOM 0 HZ2 LYS V 101 12.564 8.072 10.594 1.00 49.66 H new ATOM 0 HZ3 LYS V 101 13.254 7.549 12.055 1.00 49.66 H new ATOM 1445 N CYS V 102 6.786 6.020 8.180 1.00 19.72 N ATOM 1446 CA CYS V 102 6.173 6.575 6.974 1.00 20.21 C ATOM 1447 C CYS V 102 6.406 8.082 6.897 1.00 20.99 C ATOM 1448 O CYS V 102 6.533 8.753 7.918 1.00 23.04 O ATOM 1449 CB CYS V 102 4.668 6.279 6.944 1.00 21.66 C ATOM 1450 SG CYS V 102 4.221 4.570 7.402 1.00 24.96 S ATOM 0 H CYS V 102 6.491 6.472 9.045 1.00 19.72 H new ATOM 0 HA CYS V 102 6.641 6.101 6.111 1.00 20.21 H new ATOM 0 HB2 CYS V 102 4.162 6.967 7.621 1.00 21.66 H new ATOM 0 HB3 CYS V 102 4.291 6.483 5.942 1.00 21.66 H new ATOM 1455 N GLU V 103 6.455 8.608 5.676 1.00 22.70 N ATOM 1456 CA GLU V 103 6.671 10.035 5.461 1.00 25.14 C ATOM 1457 C GLU V 103 6.216 10.446 4.060 1.00 25.78 C ATOM 1458 O GLU V 103 6.185 9.625 3.143 1.00 23.24 O ATOM 1459 CB GLU V 103 8.148 10.384 5.657 1.00 28.75 C ATOM 1460 CG GLU V 103 8.378 11.818 6.106 1.00 38.47 C ATOM 1461 CD GLU V 103 8.525 12.779 4.941 1.00 43.39 C ATOM 1462 OE1 GLU V 103 9.189 12.411 3.950 1.00 33.80 O ATOM 1463 OE2 GLU V 103 7.976 13.897 5.021 1.00 50.96 O ATOM 0 H GLU V 103 6.348 8.066 4.819 1.00 22.70 H new ATOM 0 HA GLU V 103 6.078 10.584 6.192 1.00 25.14 H new ATOM 0 HB2 GLU V 103 8.578 9.707 6.395 1.00 28.75 H new ATOM 0 HB3 GLU V 103 8.680 10.215 4.721 1.00 28.75 H new ATOM 0 HG2 GLU V 103 7.544 12.137 6.732 1.00 38.47 H new ATOM 0 HG3 GLU V 103 9.275 11.862 6.723 1.00 38.47 H new ATOM 1470 N CYS V 104 5.856 11.719 3.904 1.00 26.48 N ATOM 1471 CA CYS V 104 5.397 12.234 2.614 1.00 28.23 C ATOM 1472 C CYS V 104 6.507 12.984 1.883 1.00 28.32 C ATOM 1473 O CYS V 104 7.310 13.681 2.503 1.00 28.96 O ATOM 1474 CB CYS V 104 4.195 13.160 2.813 1.00 25.46 C ATOM 1475 SG CYS V 104 2.628 12.289 3.140 1.00 25.12 S ATOM 0 H CYS V 104 5.873 12.412 4.653 1.00 26.48 H new ATOM 0 HA CYS V 104 5.104 11.380 2.003 1.00 28.23 H new ATOM 0 HB2 CYS V 104 4.403 13.834 3.644 1.00 25.46 H new ATOM 0 HB3 CYS V 104 4.075 13.778 1.923 1.00 25.46 H new ATOM 1480 N ARG V 105 6.538 12.846 0.559 1.00 29.34 N ATOM 1481 CA ARG V 105 7.543 13.520 -0.263 1.00 33.00 C ATOM 1482 C ARG V 105 6.959 13.900 -1.631 1.00 35.92 C ATOM 1483 O ARG V 105 5.972 13.303 -2.065 1.00 37.93 O ATOM 1484 CB ARG V 105 8.772 12.624 -0.445 1.00 33.97 C ATOM 1485 CG ARG V 105 8.461 11.291 -1.110 1.00 37.95 C ATOM 1486 CD ARG V 105 9.600 10.286 -0.947 1.00 43.05 C ATOM 1487 NE ARG V 105 10.907 10.855 -1.284 1.00 47.72 N ATOM 1488 CZ ARG V 105 12.033 10.141 -1.405 1.00 47.76 C ATOM 1489 NH1 ARG V 105 12.029 8.819 -1.238 1.00 49.87 N ATOM 1490 NH2 ARG V 105 13.172 10.755 -1.704 1.00 53.61 N ATOM 0 H ARG V 105 5.879 12.274 0.032 1.00 29.34 H new ATOM 0 HA ARG V 105 7.846 14.433 0.249 1.00 33.00 H new ATOM 0 HB2 ARG V 105 9.513 13.155 -1.043 1.00 33.97 H new ATOM 0 HB3 ARG V 105 9.223 12.438 0.530 1.00 33.97 H new ATOM 0 HG2 ARG V 105 7.549 10.877 -0.681 1.00 37.95 H new ATOM 0 HG3 ARG V 105 8.270 11.452 -2.171 1.00 37.95 H new ATOM 0 HD2 ARG V 105 9.619 9.928 0.082 1.00 43.05 H new ATOM 0 HD3 ARG V 105 9.410 9.421 -1.582 1.00 43.05 H new ATOM 0 HE ARG V 105 10.963 11.862 -1.437 1.00 47.72 H new ATOM 0 HH11 ARG V 105 11.159 8.336 -1.014 1.00 49.87 H new ATOM 0 HH12 ARG V 105 12.896 8.290 -1.334 1.00 49.87 H new ATOM 0 HH21 ARG V 105 13.186 11.766 -1.840 1.00 53.61 H new ATOM 0 HH22 ARG V 105 14.033 10.216 -1.797 1.00 53.61 H new ATOM 1504 N PRO V 106 7.543 14.900 -2.340 1.00 36.22 N ATOM 1505 CA PRO V 106 7.032 15.323 -3.655 1.00 33.33 C ATOM 1506 C PRO V 106 7.027 14.189 -4.679 1.00 33.31 C ATOM 1507 O PRO V 106 7.995 13.436 -4.793 1.00 37.82 O ATOM 1508 CB PRO V 106 8.000 16.435 -4.086 1.00 32.32 C ATOM 1509 CG PRO V 106 8.630 16.909 -2.822 1.00 28.15 C ATOM 1510 CD PRO V 106 8.720 15.700 -1.933 1.00 32.35 C ATOM 0 HA PRO V 106 5.994 15.649 -3.593 1.00 33.33 H new ATOM 0 HB2 PRO V 106 8.749 16.058 -4.783 1.00 32.32 H new ATOM 0 HB3 PRO V 106 7.472 17.244 -4.591 1.00 32.32 H new ATOM 0 HG2 PRO V 106 9.617 17.330 -3.011 1.00 28.15 H new ATOM 0 HG3 PRO V 106 8.033 17.693 -2.357 1.00 28.15 H new ATOM 0 HD2 PRO V 106 9.651 15.155 -2.086 1.00 32.35 H new ATOM 0 HD3 PRO V 106 8.679 15.971 -0.878 1.00 32.35 H new ATOM 1518 N LYS V 107 5.928 14.075 -5.422 1.00 34.65 N ATOM 1519 CA LYS V 107 5.792 13.037 -6.440 1.00 35.10 C ATOM 1520 C LYS V 107 6.658 13.349 -7.655 1.00 35.76 C ATOM 1521 O LYS V 107 7.316 14.388 -7.711 1.00 0.00 O ATOM 1522 CB LYS V 107 4.330 12.904 -6.873 1.00 32.01 C ATOM 1523 CG LYS V 107 3.360 12.765 -5.711 1.00 30.43 C ATOM 1524 CD LYS V 107 1.950 13.167 -6.112 1.00 31.12 C ATOM 1525 CE LYS V 107 1.155 11.979 -6.632 1.00 35.95 C ATOM 1526 NZ LYS V 107 1.373 11.762 -8.089 1.00 33.41 N ATOM 0 H LYS V 107 5.118 14.690 -5.338 1.00 34.65 H new ATOM 0 HA LYS V 107 6.126 12.095 -6.005 1.00 35.10 H new ATOM 0 HB2 LYS V 107 4.054 13.778 -7.463 1.00 32.01 H new ATOM 0 HB3 LYS V 107 4.230 12.035 -7.524 1.00 32.01 H new ATOM 0 HG2 LYS V 107 3.359 11.734 -5.358 1.00 30.43 H new ATOM 0 HG3 LYS V 107 3.694 13.386 -4.880 1.00 30.43 H new ATOM 0 HD2 LYS V 107 1.437 13.601 -5.254 1.00 31.12 H new ATOM 0 HD3 LYS V 107 1.996 13.939 -6.880 1.00 31.12 H new ATOM 0 HE2 LYS V 107 1.442 11.082 -6.084 1.00 35.95 H new ATOM 0 HE3 LYS V 107 0.094 12.141 -6.444 1.00 35.95 H new ATOM 0 HZ1 LYS V 107 0.483 11.455 -8.531 1.00 33.41 H new ATOM 0 HZ2 LYS V 107 1.690 12.650 -8.529 1.00 33.41 H new ATOM 0 HZ3 LYS V 107 2.098 11.029 -8.226 1.00 33.41 H new ATOM 1540 N LYS V 108 6.649 12.443 -8.628 1.00 0.00 N ATOM 1541 CA LYS V 108 7.429 12.619 -9.847 1.00 0.00 C ATOM 1542 C LYS V 108 6.647 12.136 -11.064 1.00 0.00 C ATOM 1543 O LYS V 108 6.312 12.920 -11.950 1.00 0.00 O ATOM 1544 CB LYS V 108 8.752 11.860 -9.744 1.00 0.00 C ATOM 1545 CG LYS V 108 9.697 12.429 -8.698 1.00 0.00 C ATOM 1546 CD LYS V 108 10.399 13.679 -9.202 1.00 0.00 C ATOM 1547 CE LYS V 108 11.731 13.347 -9.856 1.00 0.00 C ATOM 1548 NZ LYS V 108 12.847 13.335 -8.872 1.00 0.00 N ATOM 0 H LYS V 108 6.109 11.578 -8.595 1.00 0.00 H new ATOM 0 HA LYS V 108 7.637 13.682 -9.967 1.00 0.00 H new ATOM 0 HB2 LYS V 108 8.546 10.816 -9.507 1.00 0.00 H new ATOM 0 HB3 LYS V 108 9.247 11.874 -10.715 1.00 0.00 H new ATOM 0 HG2 LYS V 108 9.139 12.664 -7.792 1.00 0.00 H new ATOM 0 HG3 LYS V 108 10.439 11.677 -8.429 1.00 0.00 H new ATOM 0 HD2 LYS V 108 9.759 14.193 -9.919 1.00 0.00 H new ATOM 0 HD3 LYS V 108 10.562 14.366 -8.371 1.00 0.00 H new ATOM 0 HE2 LYS V 108 11.664 12.373 -10.340 1.00 0.00 H new ATOM 0 HE3 LYS V 108 11.944 14.077 -10.637 1.00 0.00 H new ATOM 0 HZ1 LYS V 108 13.737 13.105 -9.359 1.00 0.00 H new ATOM 0 HZ2 LYS V 108 12.928 14.272 -8.428 1.00 0.00 H new ATOM 0 HZ3 LYS V 108 12.657 12.620 -8.141 1.00 0.00 H new ATOM 1562 N ASP V 109 6.358 10.838 -11.098 1.00 0.00 N ATOM 1563 CA ASP V 109 5.611 10.247 -12.203 1.00 0.00 C ATOM 1564 C ASP V 109 4.621 9.205 -11.693 1.00 0.00 C ATOM 1565 O ASP V 109 3.500 9.136 -12.241 1.00 0.00 O ATOM 1566 CB ASP V 109 6.567 9.606 -13.210 1.00 0.00 C ATOM 1567 CG ASP V 109 7.309 10.637 -14.038 1.00 0.00 C ATOM 1568 OD1 ASP V 109 6.643 11.406 -14.763 1.00 0.00 O ATOM 1569 OD2 ASP V 109 8.554 10.674 -13.963 1.00 0.00 O ATOM 1570 OXT ASP V 109 4.976 8.466 -10.750 1.00 0.00 O ATOM 0 H ASP V 109 6.630 10.175 -10.372 1.00 0.00 H new ATOM 0 HA ASP V 109 5.054 11.043 -12.698 1.00 0.00 H new ATOM 0 HB2 ASP V 109 7.287 8.984 -12.678 1.00 0.00 H new ATOM 0 HB3 ASP V 109 6.005 8.948 -13.873 1.00 0.00 H new TER 1575 ASP V 109 ATOM 1576 N HIS W 11 13.972 -8.087 17.967 1.00 0.00 N ATOM 1577 CA HIS W 11 12.774 -7.903 17.099 1.00 0.00 C ATOM 1578 C HIS W 11 11.808 -9.073 17.253 1.00 0.00 C ATOM 1579 O HIS W 11 12.045 -9.981 18.049 1.00 0.00 O ATOM 1580 CB HIS W 11 13.223 -7.783 15.638 1.00 0.00 C ATOM 1581 CG HIS W 11 13.732 -6.421 15.273 1.00 0.00 C ATOM 1582 ND1 HIS W 11 14.123 -5.485 16.208 1.00 0.00 N ATOM 1583 CD2 HIS W 11 13.919 -5.841 14.063 1.00 0.00 C ATOM 1584 CE1 HIS W 11 14.528 -4.390 15.589 1.00 0.00 C ATOM 1585 NE2 HIS W 11 14.415 -4.580 14.289 1.00 0.00 N ATOM 0 HA HIS W 11 12.255 -6.993 17.401 1.00 0.00 H new ATOM 0 HB2 HIS W 11 14.006 -8.517 15.446 1.00 0.00 H new ATOM 0 HB3 HIS W 11 12.385 -8.034 14.988 1.00 0.00 H new ATOM 0 HD2 HIS W 11 13.716 -6.287 13.100 1.00 0.00 H new ATOM 0 HE1 HIS W 11 14.890 -3.492 16.067 1.00 0.00 H new ATOM 0 HE2 HIS W 11 14.657 -3.900 13.568 1.00 0.00 H new ATOM 1595 N HIS W 12 10.722 -9.051 16.485 1.00 47.08 N ATOM 1596 CA HIS W 12 9.728 -10.117 16.539 1.00 44.68 C ATOM 1597 C HIS W 12 10.214 -11.349 15.782 1.00 40.06 C ATOM 1598 O HIS W 12 10.524 -11.277 14.593 1.00 41.02 O ATOM 1599 CB HIS W 12 8.397 -9.639 15.956 1.00 59.04 C ATOM 1600 CG HIS W 12 7.225 -10.455 16.403 1.00 74.89 C ATOM 1601 ND1 HIS W 12 6.993 -10.779 17.723 1.00 80.34 N ATOM 1602 CD2 HIS W 12 6.217 -11.020 15.697 1.00 80.84 C ATOM 1603 CE1 HIS W 12 5.894 -11.507 17.809 1.00 85.20 C ATOM 1604 NE2 HIS W 12 5.404 -11.668 16.594 1.00 85.99 N ATOM 0 H HIS W 12 10.509 -8.308 15.819 1.00 47.08 H new ATOM 0 HA HIS W 12 9.579 -10.387 17.585 1.00 44.68 H new ATOM 0 HB2 HIS W 12 8.236 -8.599 16.241 1.00 59.04 H new ATOM 0 HB3 HIS W 12 8.455 -9.666 14.868 1.00 59.04 H new ATOM 0 HD2 HIS W 12 6.078 -10.970 14.627 1.00 80.84 H new ATOM 0 HE1 HIS W 12 5.469 -11.903 18.719 1.00 85.20 H new ATOM 0 HE2 HIS W 12 4.559 -12.189 16.360 1.00 85.99 H new ATOM 1612 N GLU W 13 10.279 -12.477 16.481 1.00 31.73 N ATOM 1613 CA GLU W 13 10.727 -13.727 15.878 1.00 25.72 C ATOM 1614 C GLU W 13 9.602 -14.369 15.055 1.00 22.91 C ATOM 1615 O GLU W 13 8.618 -13.706 14.723 1.00 20.68 O ATOM 1616 CB GLU W 13 11.222 -14.682 16.971 1.00 33.79 C ATOM 1617 CG GLU W 13 12.508 -15.406 16.608 1.00 47.90 C ATOM 1618 CD GLU W 13 13.354 -15.744 17.820 1.00 53.27 C ATOM 1619 OE1 GLU W 13 12.850 -16.450 18.719 1.00 47.91 O ATOM 1620 OE2 GLU W 13 14.522 -15.304 17.869 1.00 56.44 O ATOM 0 H GLU W 13 10.027 -12.551 17.467 1.00 31.73 H new ATOM 0 HA GLU W 13 11.553 -13.515 15.199 1.00 25.72 H new ATOM 0 HB2 GLU W 13 11.379 -14.118 17.891 1.00 33.79 H new ATOM 0 HB3 GLU W 13 10.446 -15.419 17.177 1.00 33.79 H new ATOM 0 HG2 GLU W 13 12.264 -16.324 16.073 1.00 47.90 H new ATOM 0 HG3 GLU W 13 13.089 -14.785 15.927 1.00 47.90 H new ATOM 1627 N VAL W 14 9.755 -15.653 14.718 1.00 23.36 N ATOM 1628 CA VAL W 14 8.750 -16.371 13.925 1.00 23.87 C ATOM 1629 C VAL W 14 7.382 -16.355 14.609 1.00 19.07 C ATOM 1630 O VAL W 14 7.256 -16.723 15.778 1.00 21.93 O ATOM 1631 CB VAL W 14 9.168 -17.840 13.671 1.00 23.18 C ATOM 1632 CG1 VAL W 14 8.241 -18.500 12.659 1.00 28.65 C ATOM 1633 CG2 VAL W 14 10.613 -17.923 13.195 1.00 25.60 C ATOM 0 H VAL W 14 10.563 -16.217 14.981 1.00 23.36 H new ATOM 0 HA VAL W 14 8.680 -15.850 12.970 1.00 23.87 H new ATOM 0 HB VAL W 14 9.087 -18.376 14.617 1.00 23.18 H new ATOM 0 HG11 VAL W 14 8.555 -19.531 12.497 1.00 28.65 H new ATOM 0 HG12 VAL W 14 7.219 -18.487 13.039 1.00 28.65 H new ATOM 0 HG13 VAL W 14 8.285 -17.955 11.716 1.00 28.65 H new ATOM 0 HG21 VAL W 14 10.880 -18.966 13.024 1.00 25.60 H new ATOM 0 HG22 VAL W 14 10.723 -17.363 12.266 1.00 25.60 H new ATOM 0 HG23 VAL W 14 11.271 -17.499 13.954 1.00 25.60 H new ATOM 1643 N VAL W 15 6.359 -15.928 13.870 1.00 19.82 N ATOM 1644 CA VAL W 15 4.999 -15.863 14.400 1.00 21.20 C ATOM 1645 C VAL W 15 4.355 -17.246 14.421 1.00 16.90 C ATOM 1646 O VAL W 15 4.776 -18.151 13.700 1.00 19.23 O ATOM 1647 CB VAL W 15 4.109 -14.906 13.574 1.00 19.69 C ATOM 1648 CG1 VAL W 15 2.770 -14.682 14.261 1.00 17.86 C ATOM 1649 CG2 VAL W 15 4.813 -13.577 13.335 1.00 21.56 C ATOM 0 H VAL W 15 6.447 -15.622 12.901 1.00 19.82 H new ATOM 0 HA VAL W 15 5.076 -15.481 15.418 1.00 21.20 H new ATOM 0 HB VAL W 15 3.925 -15.374 12.607 1.00 19.69 H new ATOM 0 HG11 VAL W 15 2.162 -14.005 13.661 1.00 17.86 H new ATOM 0 HG12 VAL W 15 2.253 -15.635 14.370 1.00 17.86 H new ATOM 0 HG13 VAL W 15 2.935 -14.245 15.246 1.00 17.86 H new ATOM 0 HG21 VAL W 15 4.166 -12.922 12.752 1.00 21.56 H new ATOM 0 HG22 VAL W 15 5.037 -13.107 14.292 1.00 21.56 H new ATOM 0 HG23 VAL W 15 5.741 -13.750 12.789 1.00 21.56 H new ATOM 1659 N LYS W 16 3.332 -17.404 15.257 1.00 18.53 N ATOM 1660 CA LYS W 16 2.628 -18.680 15.377 1.00 22.39 C ATOM 1661 C LYS W 16 1.656 -18.890 14.216 1.00 24.57 C ATOM 1662 O LYS W 16 0.929 -17.973 13.830 1.00 20.90 O ATOM 1663 CB LYS W 16 1.877 -18.746 16.707 1.00 26.14 C ATOM 1664 CG LYS W 16 2.791 -18.841 17.918 1.00 35.34 C ATOM 1665 CD LYS W 16 1.998 -18.867 19.216 1.00 42.27 C ATOM 1666 CE LYS W 16 2.883 -19.204 20.406 1.00 46.10 C ATOM 1667 NZ LYS W 16 2.114 -19.223 21.682 1.00 52.07 N ATOM 0 H LYS W 16 2.971 -16.666 15.861 1.00 18.53 H new ATOM 0 HA LYS W 16 3.371 -19.477 15.344 1.00 22.39 H new ATOM 0 HB2 LYS W 16 1.249 -17.860 16.805 1.00 26.14 H new ATOM 0 HB3 LYS W 16 1.211 -19.609 16.696 1.00 26.14 H new ATOM 0 HG2 LYS W 16 3.401 -19.742 17.845 1.00 35.34 H new ATOM 0 HG3 LYS W 16 3.475 -17.993 17.926 1.00 35.34 H new ATOM 0 HD2 LYS W 16 1.527 -17.897 19.375 1.00 42.27 H new ATOM 0 HD3 LYS W 16 1.196 -19.601 19.139 1.00 42.27 H new ATOM 0 HE2 LYS W 16 3.349 -20.177 20.248 1.00 46.10 H new ATOM 0 HE3 LYS W 16 3.688 -18.473 20.478 1.00 46.10 H new ATOM 0 HZ1 LYS W 16 2.753 -19.457 22.469 1.00 52.07 H new ATOM 0 HZ2 LYS W 16 1.690 -18.287 21.846 1.00 52.07 H new ATOM 0 HZ3 LYS W 16 1.361 -19.938 21.623 1.00 52.07 H new ATOM 1681 N PHE W 17 1.654 -20.105 13.672 1.00 24.53 N ATOM 1682 CA PHE W 17 0.782 -20.467 12.550 1.00 22.46 C ATOM 1683 C PHE W 17 -0.694 -20.155 12.861 1.00 20.51 C ATOM 1684 O PHE W 17 -1.353 -19.420 12.121 1.00 22.81 O ATOM 1685 CB PHE W 17 0.979 -21.963 12.206 1.00 23.42 C ATOM 1686 CG PHE W 17 0.033 -22.507 11.170 1.00 17.59 C ATOM 1687 CD1 PHE W 17 -0.208 -21.813 9.999 1.00 21.18 C ATOM 1688 CD2 PHE W 17 -0.620 -23.710 11.378 1.00 15.57 C ATOM 1689 CE1 PHE W 17 -1.084 -22.307 9.050 1.00 19.54 C ATOM 1690 CE2 PHE W 17 -1.496 -24.213 10.433 1.00 17.13 C ATOM 1691 CZ PHE W 17 -1.730 -23.508 9.268 1.00 14.86 C ATOM 0 H PHE W 17 2.253 -20.866 13.993 1.00 24.53 H new ATOM 0 HA PHE W 17 1.057 -19.865 11.684 1.00 22.46 H new ATOM 0 HB2 PHE W 17 2.001 -22.108 11.855 1.00 23.42 H new ATOM 0 HB3 PHE W 17 0.869 -22.548 13.119 1.00 23.42 H new ATOM 0 HD1 PHE W 17 0.294 -20.873 9.823 1.00 21.18 H new ATOM 0 HD2 PHE W 17 -0.443 -24.262 12.289 1.00 15.57 H new ATOM 0 HE1 PHE W 17 -1.263 -21.754 8.139 1.00 19.54 H new ATOM 0 HE2 PHE W 17 -1.996 -25.155 10.605 1.00 17.13 H new ATOM 0 HZ PHE W 17 -2.416 -23.895 8.530 1.00 14.86 H new ATOM 1701 N MET W 18 -1.207 -20.721 13.951 1.00 21.16 N ATOM 1702 CA MET W 18 -2.601 -20.510 14.353 1.00 22.84 C ATOM 1703 C MET W 18 -2.937 -19.023 14.538 1.00 23.65 C ATOM 1704 O MET W 18 -4.106 -18.637 14.478 1.00 20.30 O ATOM 1705 CB MET W 18 -2.888 -21.267 15.650 1.00 25.71 C ATOM 1706 CG MET W 18 -4.328 -21.741 15.768 1.00 29.87 C ATOM 1707 SD MET W 18 -4.742 -23.008 14.553 1.00 31.56 S ATOM 1708 CE MET W 18 -6.321 -23.575 15.179 1.00 31.20 C ATOM 0 H MET W 18 -0.679 -21.331 14.575 1.00 21.16 H new ATOM 0 HA MET W 18 -3.231 -20.891 13.549 1.00 22.84 H new ATOM 0 HB2 MET W 18 -2.224 -22.129 15.713 1.00 25.71 H new ATOM 0 HB3 MET W 18 -2.655 -20.622 16.497 1.00 25.71 H new ATOM 0 HG2 MET W 18 -4.496 -22.135 16.770 1.00 29.87 H new ATOM 0 HG3 MET W 18 -4.998 -20.890 15.643 1.00 29.87 H new ATOM 0 HE1 MET W 18 -6.707 -24.363 14.532 1.00 31.20 H new ATOM 0 HE2 MET W 18 -6.193 -23.965 16.189 1.00 31.20 H new ATOM 0 HE3 MET W 18 -7.025 -22.743 15.198 1.00 31.20 H new ATOM 1718 N ASP W 19 -1.920 -18.194 14.773 1.00 21.12 N ATOM 1719 CA ASP W 19 -2.131 -16.759 14.974 1.00 23.81 C ATOM 1720 C ASP W 19 -2.220 -16.016 13.642 1.00 19.30 C ATOM 1721 O ASP W 19 -2.975 -15.052 13.509 1.00 19.45 O ATOM 1722 CB ASP W 19 -0.995 -16.170 15.813 1.00 22.57 C ATOM 1723 CG ASP W 19 -1.440 -14.971 16.628 1.00 30.12 C ATOM 1724 OD1 ASP W 19 -2.378 -15.117 17.437 1.00 34.16 O ATOM 1725 OD2 ASP W 19 -0.848 -13.883 16.455 1.00 30.22 O ATOM 0 H ASP W 19 -0.945 -18.489 14.829 1.00 21.12 H new ATOM 0 HA ASP W 19 -3.077 -16.635 15.500 1.00 23.81 H new ATOM 0 HB2 ASP W 19 -0.606 -16.937 16.483 1.00 22.57 H new ATOM 0 HB3 ASP W 19 -0.177 -15.876 15.156 1.00 22.57 H new ATOM 1730 N VAL W 20 -1.440 -16.465 12.659 1.00 20.96 N ATOM 1731 CA VAL W 20 -1.430 -15.835 11.340 1.00 18.89 C ATOM 1732 C VAL W 20 -2.777 -16.005 10.640 1.00 20.42 C ATOM 1733 O VAL W 20 -3.218 -15.130 9.895 1.00 18.50 O ATOM 1734 CB VAL W 20 -0.321 -16.412 10.428 1.00 18.74 C ATOM 1735 CG1 VAL W 20 -0.141 -15.538 9.195 1.00 16.55 C ATOM 1736 CG2 VAL W 20 0.998 -16.555 11.181 1.00 17.13 C ATOM 0 H VAL W 20 -0.808 -17.261 12.751 1.00 20.96 H new ATOM 0 HA VAL W 20 -1.231 -14.777 11.508 1.00 18.89 H new ATOM 0 HB VAL W 20 -0.631 -17.407 10.110 1.00 18.74 H new ATOM 0 HG11 VAL W 20 0.642 -15.957 8.563 1.00 16.55 H new ATOM 0 HG12 VAL W 20 -1.076 -15.500 8.636 1.00 16.55 H new ATOM 0 HG13 VAL W 20 0.140 -14.530 9.501 1.00 16.55 H new ATOM 0 HG21 VAL W 20 1.756 -16.963 10.513 1.00 17.13 H new ATOM 0 HG22 VAL W 20 1.319 -15.578 11.541 1.00 17.13 H new ATOM 0 HG23 VAL W 20 0.862 -17.227 12.028 1.00 17.13 H new ATOM 1746 N TYR W 21 -3.421 -17.142 10.883 1.00 17.94 N ATOM 1747 CA TYR W 21 -4.715 -17.444 10.277 1.00 17.90 C ATOM 1748 C TYR W 21 -5.850 -16.718 11.005 1.00 17.06 C ATOM 1749 O TYR W 21 -6.711 -16.102 10.377 1.00 18.51 O ATOM 1750 CB TYR W 21 -4.938 -18.964 10.294 1.00 18.26 C ATOM 1751 CG TYR W 21 -6.290 -19.413 9.779 1.00 19.76 C ATOM 1752 CD1 TYR W 21 -7.389 -19.473 10.626 1.00 19.42 C ATOM 1753 CD2 TYR W 21 -6.467 -19.783 8.450 1.00 18.11 C ATOM 1754 CE1 TYR W 21 -8.624 -19.889 10.167 1.00 19.42 C ATOM 1755 CE2 TYR W 21 -7.702 -20.199 7.983 1.00 19.37 C ATOM 1756 CZ TYR W 21 -8.776 -20.250 8.845 1.00 22.34 C ATOM 1757 OH TYR W 21 -10.004 -20.663 8.386 1.00 24.40 O ATOM 0 H TYR W 21 -3.066 -17.874 11.499 1.00 17.94 H new ATOM 0 HA TYR W 21 -4.715 -17.091 9.246 1.00 17.90 H new ATOM 0 HB2 TYR W 21 -4.161 -19.438 9.694 1.00 18.26 H new ATOM 0 HB3 TYR W 21 -4.816 -19.324 11.316 1.00 18.26 H new ATOM 0 HD1 TYR W 21 -7.276 -19.189 11.662 1.00 19.42 H new ATOM 0 HD2 TYR W 21 -5.628 -19.745 7.772 1.00 18.11 H new ATOM 0 HE1 TYR W 21 -9.467 -19.931 10.841 1.00 19.42 H new ATOM 0 HE2 TYR W 21 -7.823 -20.482 6.948 1.00 19.37 H new ATOM 0 HH TYR W 21 -10.711 -20.222 8.901 1.00 24.40 H new ATOM 1767 N GLN W 22 -5.848 -16.803 12.332 1.00 15.33 N ATOM 1768 CA GLN W 22 -6.882 -16.168 13.148 1.00 18.73 C ATOM 1769 C GLN W 22 -6.930 -14.653 12.944 1.00 19.49 C ATOM 1770 O GLN W 22 -7.986 -14.035 13.094 1.00 19.85 O ATOM 1771 CB GLN W 22 -6.650 -16.483 14.626 1.00 22.86 C ATOM 1772 CG GLN W 22 -7.930 -16.518 15.448 1.00 26.30 C ATOM 1773 CD GLN W 22 -8.168 -15.234 16.220 1.00 28.54 C ATOM 1774 OE1 GLN W 22 -7.514 -14.973 17.229 1.00 26.07 O ATOM 1775 NE2 GLN W 22 -9.111 -14.424 15.749 1.00 27.46 N ATOM 0 H GLN W 22 -5.141 -17.306 12.868 1.00 15.33 H new ATOM 0 HA GLN W 22 -7.842 -16.574 12.829 1.00 18.73 H new ATOM 0 HB2 GLN W 22 -6.148 -17.447 14.709 1.00 22.86 H new ATOM 0 HB3 GLN W 22 -5.978 -15.736 15.047 1.00 22.86 H new ATOM 0 HG2 GLN W 22 -8.777 -16.701 14.786 1.00 26.30 H new ATOM 0 HG3 GLN W 22 -7.885 -17.354 16.146 1.00 26.30 H new ATOM 0 HE21 GLN W 22 -9.630 -14.679 14.909 1.00 27.46 H new ATOM 0 HE22 GLN W 22 -9.316 -13.547 16.228 1.00 27.46 H new ATOM 1784 N ARG W 23 -5.788 -14.057 12.621 1.00 18.14 N ATOM 1785 CA ARG W 23 -5.708 -12.610 12.419 1.00 18.42 C ATOM 1786 C ARG W 23 -5.825 -12.216 10.942 1.00 19.43 C ATOM 1787 O ARG W 23 -6.122 -11.064 10.631 1.00 19.95 O ATOM 1788 CB ARG W 23 -4.395 -12.074 12.991 1.00 16.10 C ATOM 1789 CG ARG W 23 -4.311 -12.168 14.507 1.00 21.03 C ATOM 1790 CD ARG W 23 -2.941 -11.752 15.019 1.00 18.57 C ATOM 1791 NE ARG W 23 -2.827 -10.302 15.173 1.00 31.49 N ATOM 1792 CZ ARG W 23 -3.319 -9.610 16.206 1.00 34.03 C ATOM 1793 NH1 ARG W 23 -3.969 -10.221 17.194 1.00 37.44 N ATOM 1794 NH2 ARG W 23 -3.162 -8.294 16.250 1.00 29.66 N ATOM 0 H ARG W 23 -4.904 -14.550 12.493 1.00 18.14 H new ATOM 0 HA ARG W 23 -6.554 -12.166 12.944 1.00 18.42 H new ATOM 0 HB2 ARG W 23 -3.564 -12.628 12.554 1.00 16.10 H new ATOM 0 HB3 ARG W 23 -4.276 -11.033 12.692 1.00 16.10 H new ATOM 0 HG2 ARG W 23 -5.075 -11.533 14.954 1.00 21.03 H new ATOM 0 HG3 ARG W 23 -4.522 -13.190 14.821 1.00 21.03 H new ATOM 0 HD2 ARG W 23 -2.752 -12.234 15.978 1.00 18.57 H new ATOM 0 HD3 ARG W 23 -2.174 -12.104 14.329 1.00 18.57 H new ATOM 0 HE ARG W 23 -2.339 -9.783 14.443 1.00 31.49 H new ATOM 0 HH11 ARG W 23 -4.098 -11.233 17.171 1.00 37.44 H new ATOM 0 HH12 ARG W 23 -4.338 -9.678 17.974 1.00 37.44 H new ATOM 0 HH21 ARG W 23 -2.668 -7.814 15.498 1.00 29.66 H new ATOM 0 HH22 ARG W 23 -3.536 -7.762 17.036 1.00 29.66 H new ATOM 1808 N SER W 24 -5.573 -13.161 10.032 1.00 16.38 N ATOM 1809 CA SER W 24 -5.636 -12.873 8.598 1.00 16.05 C ATOM 1810 C SER W 24 -7.019 -13.179 7.995 1.00 16.34 C ATOM 1811 O SER W 24 -7.374 -12.628 6.954 1.00 14.73 O ATOM 1812 CB SER W 24 -4.559 -13.674 7.861 1.00 16.67 C ATOM 1813 OG SER W 24 -4.859 -15.058 7.870 1.00 20.86 O ATOM 0 H SER W 24 -5.326 -14.124 10.261 1.00 16.38 H new ATOM 0 HA SER W 24 -5.459 -11.805 8.474 1.00 16.05 H new ATOM 0 HB2 SER W 24 -4.480 -13.322 6.832 1.00 16.67 H new ATOM 0 HB3 SER W 24 -3.590 -13.505 8.331 1.00 16.67 H new ATOM 0 HG SER W 24 -4.156 -15.542 8.352 1.00 20.86 H new ATOM 1819 N TYR W 25 -7.787 -14.058 8.642 1.00 16.77 N ATOM 1820 CA TYR W 25 -9.123 -14.433 8.155 1.00 16.89 C ATOM 1821 C TYR W 25 -10.024 -13.201 7.951 1.00 19.77 C ATOM 1822 O TYR W 25 -10.078 -12.316 8.801 1.00 15.97 O ATOM 1823 CB TYR W 25 -9.772 -15.418 9.138 1.00 14.80 C ATOM 1824 CG TYR W 25 -11.159 -15.884 8.737 1.00 20.40 C ATOM 1825 CD1 TYR W 25 -11.386 -16.484 7.503 1.00 19.91 C ATOM 1826 CD2 TYR W 25 -12.241 -15.719 9.593 1.00 19.91 C ATOM 1827 CE1 TYR W 25 -12.650 -16.909 7.139 1.00 19.78 C ATOM 1828 CE2 TYR W 25 -13.507 -16.143 9.236 1.00 23.91 C ATOM 1829 CZ TYR W 25 -13.707 -16.733 8.008 1.00 20.72 C ATOM 1830 OH TYR W 25 -14.967 -17.156 7.647 1.00 21.03 O ATOM 0 H TYR W 25 -7.510 -14.525 9.505 1.00 16.77 H new ATOM 0 HA TYR W 25 -9.008 -14.912 7.183 1.00 16.89 H new ATOM 0 HB2 TYR W 25 -9.125 -16.289 9.240 1.00 14.80 H new ATOM 0 HB3 TYR W 25 -9.830 -14.947 10.119 1.00 14.80 H new ATOM 0 HD1 TYR W 25 -10.562 -16.620 6.818 1.00 19.91 H new ATOM 0 HD2 TYR W 25 -12.090 -15.251 10.555 1.00 19.91 H new ATOM 0 HE1 TYR W 25 -12.809 -17.377 6.179 1.00 19.78 H new ATOM 0 HE2 TYR W 25 -14.335 -16.012 9.917 1.00 23.91 H new ATOM 0 HH TYR W 25 -15.598 -16.959 8.371 1.00 21.03 H new ATOM 1840 N CYS W 26 -10.736 -13.165 6.805 1.00 18.44 N ATOM 1841 CA CYS W 26 -11.649 -12.059 6.433 1.00 16.48 C ATOM 1842 C CYS W 26 -12.457 -11.509 7.625 1.00 18.19 C ATOM 1843 O CYS W 26 -13.359 -12.167 8.143 1.00 16.75 O ATOM 1844 CB CYS W 26 -12.599 -12.550 5.328 1.00 19.93 C ATOM 1845 SG CYS W 26 -13.823 -11.328 4.744 1.00 19.41 S ATOM 0 H CYS W 26 -10.695 -13.907 6.106 1.00 18.44 H new ATOM 0 HA CYS W 26 -11.036 -11.232 6.076 1.00 16.48 H new ATOM 0 HB2 CYS W 26 -12.001 -12.875 4.477 1.00 19.93 H new ATOM 0 HB3 CYS W 26 -13.133 -13.426 5.695 1.00 19.93 H new ATOM 1850 N HIS W 27 -12.121 -10.284 8.036 1.00 16.33 N ATOM 1851 CA HIS W 27 -12.804 -9.620 9.147 1.00 15.17 C ATOM 1852 C HIS W 27 -12.645 -8.097 9.038 1.00 15.48 C ATOM 1853 O HIS W 27 -11.830 -7.620 8.247 1.00 17.26 O ATOM 1854 CB HIS W 27 -12.243 -10.113 10.481 1.00 20.02 C ATOM 1855 CG HIS W 27 -10.759 -9.949 10.606 1.00 20.26 C ATOM 1856 ND1 HIS W 27 -9.853 -9.381 9.774 1.00 22.75 N flip ATOM 1857 CD2 HIS W 27 -10.043 -10.400 11.695 1.00 19.86 C flip ATOM 1858 CE1 HIS W 27 -8.622 -9.498 10.371 1.00 21.17 C flip ATOM 1859 NE2 HIS W 27 -8.763 -10.116 11.528 1.00 20.82 N flip ATOM 0 H HIS W 27 -11.376 -9.730 7.613 1.00 16.33 H new ATOM 0 HA HIS W 27 -13.865 -9.864 9.099 1.00 15.17 H new ATOM 0 HB2 HIS W 27 -12.729 -9.571 11.292 1.00 20.02 H new ATOM 0 HB3 HIS W 27 -12.495 -11.166 10.605 1.00 20.02 H new ATOM 0 HD1 HIS W 27 -10.049 -8.947 8.872 1.00 22.75 H new ATOM 0 HD2 HIS W 27 -10.463 -10.907 12.551 1.00 19.86 H new ATOM 0 HE1 HIS W 27 -7.689 -9.142 9.960 1.00 21.17 H new ATOM 1867 N PRO W 28 -13.417 -7.298 9.816 1.00 16.87 N ATOM 1868 CA PRO W 28 -13.326 -5.834 9.764 1.00 18.28 C ATOM 1869 C PRO W 28 -12.021 -5.309 10.365 1.00 19.62 C ATOM 1870 O PRO W 28 -11.669 -5.635 11.499 1.00 17.77 O ATOM 1871 CB PRO W 28 -14.538 -5.352 10.585 1.00 21.22 C ATOM 1872 CG PRO W 28 -15.379 -6.566 10.812 1.00 20.58 C ATOM 1873 CD PRO W 28 -14.433 -7.731 10.793 1.00 16.49 C ATOM 0 HA PRO W 28 -13.331 -5.469 8.737 1.00 18.28 H new ATOM 0 HB2 PRO W 28 -14.221 -4.913 11.531 1.00 21.22 H new ATOM 0 HB3 PRO W 28 -15.095 -4.584 10.048 1.00 21.22 H new ATOM 0 HG2 PRO W 28 -15.904 -6.505 11.765 1.00 20.58 H new ATOM 0 HG3 PRO W 28 -16.138 -6.666 10.036 1.00 20.58 H new ATOM 0 HD2 PRO W 28 -13.999 -7.918 11.775 1.00 16.49 H new ATOM 0 HD3 PRO W 28 -14.928 -8.651 10.483 1.00 16.49 H new ATOM 1881 N ILE W 29 -11.305 -4.494 9.591 1.00 18.35 N ATOM 1882 CA ILE W 29 -10.039 -3.919 10.036 1.00 20.97 C ATOM 1883 C ILE W 29 -9.964 -2.436 9.668 1.00 16.97 C ATOM 1884 O ILE W 29 -10.589 -1.994 8.703 1.00 19.51 O ATOM 1885 CB ILE W 29 -8.834 -4.682 9.430 1.00 21.02 C ATOM 1886 CG1 ILE W 29 -7.511 -4.148 9.983 1.00 31.48 C ATOM 1887 CG2 ILE W 29 -8.848 -4.604 7.909 1.00 17.26 C ATOM 1888 CD1 ILE W 29 -6.349 -5.102 9.795 1.00 33.12 C ATOM 0 H ILE W 29 -11.583 -4.217 8.649 1.00 18.35 H new ATOM 0 HA ILE W 29 -9.992 -4.015 11.121 1.00 20.97 H new ATOM 0 HB ILE W 29 -8.925 -5.729 9.719 1.00 21.02 H new ATOM 0 HG12 ILE W 29 -7.277 -3.202 9.494 1.00 31.48 H new ATOM 0 HG13 ILE W 29 -7.629 -3.937 11.046 1.00 31.48 H new ATOM 0 HG21 ILE W 29 -7.992 -5.147 7.509 1.00 17.26 H new ATOM 0 HG22 ILE W 29 -9.769 -5.048 7.530 1.00 17.26 H new ATOM 0 HG23 ILE W 29 -8.793 -3.561 7.598 1.00 17.26 H new ATOM 0 HD11 ILE W 29 -5.444 -4.659 10.210 1.00 33.12 H new ATOM 0 HD12 ILE W 29 -6.562 -6.040 10.308 1.00 33.12 H new ATOM 0 HD13 ILE W 29 -6.204 -5.294 8.732 1.00 33.12 H new ATOM 1900 N GLU W 30 -9.214 -1.666 10.454 1.00 20.06 N ATOM 1901 CA GLU W 30 -9.073 -0.232 10.217 1.00 20.90 C ATOM 1902 C GLU W 30 -8.386 0.039 8.881 1.00 18.24 C ATOM 1903 O GLU W 30 -7.254 -0.387 8.656 1.00 20.23 O ATOM 1904 CB GLU W 30 -8.279 0.417 11.351 1.00 26.27 C ATOM 1905 CG GLU W 30 -8.481 1.920 11.450 1.00 27.65 C ATOM 1906 CD GLU W 30 -9.762 2.288 12.169 1.00 33.60 C ATOM 1907 OE1 GLU W 30 -9.945 1.842 13.322 1.00 28.73 O ATOM 1908 OE2 GLU W 30 -10.584 3.022 11.581 1.00 34.53 O ATOM 0 H GLU W 30 -8.695 -2.012 11.261 1.00 20.06 H new ATOM 0 HA GLU W 30 -10.072 0.203 10.184 1.00 20.90 H new ATOM 0 HB2 GLU W 30 -8.568 -0.043 12.296 1.00 26.27 H new ATOM 0 HB3 GLU W 30 -7.219 0.210 11.206 1.00 26.27 H new ATOM 0 HG2 GLU W 30 -7.634 2.363 11.974 1.00 27.65 H new ATOM 0 HG3 GLU W 30 -8.495 2.348 10.448 1.00 27.65 H new ATOM 1915 N THR W 31 -9.078 0.756 7.998 1.00 14.97 N ATOM 1916 CA THR W 31 -8.532 1.085 6.685 1.00 16.18 C ATOM 1917 C THR W 31 -8.893 2.511 6.276 1.00 18.68 C ATOM 1918 O THR W 31 -10.035 2.945 6.429 1.00 21.93 O ATOM 1919 CB THR W 31 -9.046 0.102 5.632 1.00 17.30 C ATOM 1920 OG1 THR W 31 -8.898 -1.232 6.080 1.00 23.53 O ATOM 1921 CG2 THR W 31 -8.333 0.220 4.302 1.00 14.47 C ATOM 0 H THR W 31 -10.016 1.119 8.168 1.00 14.97 H new ATOM 0 HA THR W 31 -7.447 1.009 6.750 1.00 16.18 H new ATOM 0 HB THR W 31 -10.096 0.358 5.486 1.00 17.30 H new ATOM 0 HG1 THR W 31 -9.550 -1.413 6.789 1.00 23.53 H new ATOM 0 HG21 THR W 31 -8.747 -0.506 3.602 1.00 14.47 H new ATOM 0 HG22 THR W 31 -8.468 1.226 3.905 1.00 14.47 H new ATOM 0 HG23 THR W 31 -7.270 0.025 4.441 1.00 14.47 H new ATOM 1929 N LEU W 32 -7.910 3.233 5.745 1.00 17.96 N ATOM 1930 CA LEU W 32 -8.121 4.609 5.299 1.00 14.98 C ATOM 1931 C LEU W 32 -8.597 4.635 3.849 1.00 18.77 C ATOM 1932 O LEU W 32 -7.990 4.011 2.982 1.00 21.37 O ATOM 1933 CB LEU W 32 -6.833 5.423 5.449 1.00 15.66 C ATOM 1934 CG LEU W 32 -6.553 5.924 6.865 1.00 18.81 C ATOM 1935 CD1 LEU W 32 -5.092 6.317 7.015 1.00 25.42 C ATOM 1936 CD2 LEU W 32 -7.459 7.098 7.204 1.00 24.45 C ATOM 0 H LEU W 32 -6.959 2.889 5.613 1.00 17.96 H new ATOM 0 HA LEU W 32 -8.892 5.058 5.925 1.00 14.98 H new ATOM 0 HB2 LEU W 32 -5.993 4.810 5.123 1.00 15.66 H new ATOM 0 HB3 LEU W 32 -6.882 6.281 4.778 1.00 15.66 H new ATOM 0 HG LEU W 32 -6.763 5.114 7.563 1.00 18.81 H new ATOM 0 HD11 LEU W 32 -4.913 6.671 8.030 1.00 25.42 H new ATOM 0 HD12 LEU W 32 -4.460 5.451 6.816 1.00 25.42 H new ATOM 0 HD13 LEU W 32 -4.854 7.111 6.307 1.00 25.42 H new ATOM 0 HD21 LEU W 32 -7.246 7.442 8.216 1.00 24.45 H new ATOM 0 HD22 LEU W 32 -7.281 7.910 6.500 1.00 24.45 H new ATOM 0 HD23 LEU W 32 -8.501 6.784 7.139 1.00 24.45 H new ATOM 1948 N VAL W 33 -9.692 5.353 3.597 1.00 18.45 N ATOM 1949 CA VAL W 33 -10.252 5.449 2.250 1.00 18.41 C ATOM 1950 C VAL W 33 -10.099 6.858 1.683 1.00 19.41 C ATOM 1951 O VAL W 33 -10.328 7.848 2.379 1.00 20.16 O ATOM 1952 CB VAL W 33 -11.752 5.066 2.230 1.00 17.90 C ATOM 1953 CG1 VAL W 33 -12.264 4.949 0.800 1.00 18.32 C ATOM 1954 CG2 VAL W 33 -11.996 3.768 2.989 1.00 21.03 C ATOM 0 H VAL W 33 -10.207 5.875 4.306 1.00 18.45 H new ATOM 0 HA VAL W 33 -9.693 4.747 1.632 1.00 18.41 H new ATOM 0 HB VAL W 33 -12.304 5.862 2.729 1.00 17.90 H new ATOM 0 HG11 VAL W 33 -13.320 4.679 0.813 1.00 18.32 H new ATOM 0 HG12 VAL W 33 -12.140 5.904 0.290 1.00 18.32 H new ATOM 0 HG13 VAL W 33 -11.699 4.180 0.273 1.00 18.32 H new ATOM 0 HG21 VAL W 33 -13.058 3.523 2.959 1.00 21.03 H new ATOM 0 HG22 VAL W 33 -11.425 2.963 2.527 1.00 21.03 H new ATOM 0 HG23 VAL W 33 -11.681 3.888 4.025 1.00 21.03 H new ATOM 1964 N ASP W 34 -9.720 6.940 0.410 1.00 19.50 N ATOM 1965 CA ASP W 34 -9.551 8.228 -0.259 1.00 18.81 C ATOM 1966 C ASP W 34 -10.911 8.816 -0.637 1.00 17.77 C ATOM 1967 O ASP W 34 -11.771 8.101 -1.150 1.00 16.63 O ATOM 1968 CB ASP W 34 -8.688 8.060 -1.514 1.00 28.26 C ATOM 1969 CG ASP W 34 -7.959 9.334 -1.886 1.00 43.50 C ATOM 1970 OD1 ASP W 34 -8.603 10.244 -2.450 1.00 52.14 O ATOM 1971 OD2 ASP W 34 -6.742 9.426 -1.616 1.00 46.19 O ATOM 0 H ASP W 34 -9.524 6.131 -0.179 1.00 19.50 H new ATOM 0 HA ASP W 34 -9.052 8.912 0.427 1.00 18.81 H new ATOM 0 HB2 ASP W 34 -7.962 7.264 -1.349 1.00 28.26 H new ATOM 0 HB3 ASP W 34 -9.319 7.749 -2.347 1.00 28.26 H new ATOM 1976 N ILE W 35 -11.097 10.107 -0.381 1.00 18.59 N ATOM 1977 CA ILE W 35 -12.356 10.772 -0.698 1.00 19.40 C ATOM 1978 C ILE W 35 -12.560 10.827 -2.210 1.00 18.09 C ATOM 1979 O ILE W 35 -13.660 10.595 -2.711 1.00 17.68 O ATOM 1980 CB ILE W 35 -12.412 12.205 -0.108 1.00 16.41 C ATOM 1981 CG1 ILE W 35 -12.100 12.183 1.392 1.00 16.93 C ATOM 1982 CG2 ILE W 35 -13.775 12.845 -0.345 1.00 14.27 C ATOM 1983 CD1 ILE W 35 -11.754 13.544 1.955 1.00 13.20 C ATOM 0 H ILE W 35 -10.394 10.712 0.044 1.00 18.59 H new ATOM 0 HA ILE W 35 -13.158 10.189 -0.244 1.00 19.40 H new ATOM 0 HB ILE W 35 -11.657 12.803 -0.619 1.00 16.41 H new ATOM 0 HG12 ILE W 35 -12.961 11.785 1.929 1.00 16.93 H new ATOM 0 HG13 ILE W 35 -11.269 11.502 1.572 1.00 16.93 H new ATOM 0 HG21 ILE W 35 -13.784 13.849 0.080 1.00 14.27 H new ATOM 0 HG22 ILE W 35 -13.969 12.902 -1.416 1.00 14.27 H new ATOM 0 HG23 ILE W 35 -14.548 12.242 0.132 1.00 14.27 H new ATOM 0 HD11 ILE W 35 -11.545 13.454 3.021 1.00 13.20 H new ATOM 0 HD12 ILE W 35 -10.875 13.936 1.444 1.00 13.20 H new ATOM 0 HD13 ILE W 35 -12.593 14.223 1.806 1.00 13.20 H new ATOM 1995 N PHE W 36 -11.483 11.123 -2.933 1.00 18.88 N ATOM 1996 CA PHE W 36 -11.532 11.201 -4.389 1.00 23.43 C ATOM 1997 C PHE W 36 -11.915 9.846 -5.006 1.00 24.91 C ATOM 1998 O PHE W 36 -12.442 9.793 -6.117 1.00 25.52 O ATOM 1999 CB PHE W 36 -10.174 11.675 -4.933 1.00 25.30 C ATOM 2000 CG PHE W 36 -10.049 13.173 -5.148 1.00 25.22 C ATOM 2001 CD1 PHE W 36 -10.768 14.091 -4.384 1.00 32.83 C ATOM 2002 CD2 PHE W 36 -9.190 13.661 -6.123 1.00 28.07 C ATOM 2003 CE1 PHE W 36 -10.628 15.455 -4.596 1.00 33.96 C ATOM 2004 CE2 PHE W 36 -9.049 15.021 -6.336 1.00 29.32 C ATOM 2005 CZ PHE W 36 -9.768 15.917 -5.572 1.00 31.36 C ATOM 0 H PHE W 36 -10.564 11.313 -2.533 1.00 18.88 H new ATOM 0 HA PHE W 36 -12.300 11.922 -4.669 1.00 23.43 H new ATOM 0 HB2 PHE W 36 -9.393 11.357 -4.242 1.00 25.30 H new ATOM 0 HB3 PHE W 36 -9.985 11.171 -5.881 1.00 25.30 H new ATOM 0 HD1 PHE W 36 -11.442 13.736 -3.618 1.00 32.83 H new ATOM 0 HD2 PHE W 36 -8.622 12.968 -6.726 1.00 28.07 H new ATOM 0 HE1 PHE W 36 -11.192 16.155 -3.997 1.00 33.96 H new ATOM 0 HE2 PHE W 36 -8.376 15.381 -7.100 1.00 29.32 H new ATOM 0 HZ PHE W 36 -9.658 16.979 -5.737 1.00 31.36 H new ATOM 2015 N GLN W 37 -11.656 8.751 -4.284 1.00 24.19 N ATOM 2016 CA GLN W 37 -11.986 7.414 -4.778 1.00 26.30 C ATOM 2017 C GLN W 37 -13.485 7.133 -4.661 1.00 25.41 C ATOM 2018 O GLN W 37 -14.049 6.387 -5.462 1.00 25.23 O ATOM 2019 CB GLN W 37 -11.195 6.349 -4.013 1.00 24.43 C ATOM 2020 CG GLN W 37 -11.262 4.970 -4.653 1.00 40.88 C ATOM 2021 CD GLN W 37 -10.106 4.068 -4.254 1.00 46.28 C ATOM 2022 OE1 GLN W 37 -9.561 3.341 -5.083 1.00 54.14 O ATOM 2023 NE2 GLN W 37 -9.729 4.108 -2.980 1.00 40.20 N ATOM 0 H GLN W 37 -11.221 8.765 -3.361 1.00 24.19 H new ATOM 0 HA GLN W 37 -11.712 7.374 -5.832 1.00 26.30 H new ATOM 0 HB2 GLN W 37 -10.152 6.660 -3.946 1.00 24.43 H new ATOM 0 HB3 GLN W 37 -11.575 6.287 -2.993 1.00 24.43 H new ATOM 0 HG2 GLN W 37 -12.201 4.492 -4.373 1.00 40.88 H new ATOM 0 HG3 GLN W 37 -11.271 5.080 -5.737 1.00 40.88 H new ATOM 0 HE21 GLN W 37 -10.209 4.726 -2.325 1.00 40.20 H new ATOM 0 HE22 GLN W 37 -8.960 3.521 -2.657 1.00 40.20 H new ATOM 2032 N GLU W 38 -14.128 7.739 -3.664 1.00 23.91 N ATOM 2033 CA GLU W 38 -15.562 7.557 -3.456 1.00 22.27 C ATOM 2034 C GLU W 38 -16.349 8.607 -4.237 1.00 20.33 C ATOM 2035 O GLU W 38 -17.362 8.298 -4.864 1.00 18.93 O ATOM 2036 CB GLU W 38 -15.896 7.645 -1.967 1.00 24.44 C ATOM 2037 CG GLU W 38 -15.291 6.519 -1.145 1.00 35.81 C ATOM 2038 CD GLU W 38 -15.997 5.194 -1.362 1.00 39.54 C ATOM 2039 OE1 GLU W 38 -17.113 5.021 -0.828 1.00 39.77 O ATOM 2040 OE2 GLU W 38 -15.434 4.331 -2.067 1.00 30.51 O ATOM 0 H GLU W 38 -13.679 8.359 -2.990 1.00 23.91 H new ATOM 0 HA GLU W 38 -15.844 6.569 -3.820 1.00 22.27 H new ATOM 0 HB2 GLU W 38 -15.541 8.600 -1.578 1.00 24.44 H new ATOM 0 HB3 GLU W 38 -16.979 7.633 -1.844 1.00 24.44 H new ATOM 0 HG2 GLU W 38 -14.237 6.412 -1.403 1.00 35.81 H new ATOM 0 HG3 GLU W 38 -15.335 6.781 -0.088 1.00 35.81 H new ATOM 2047 N TYR W 39 -15.862 9.844 -4.201 1.00 18.02 N ATOM 2048 CA TYR W 39 -16.497 10.951 -4.914 1.00 19.86 C ATOM 2049 C TYR W 39 -15.544 11.514 -5.982 1.00 20.70 C ATOM 2050 O TYR W 39 -14.875 12.519 -5.744 1.00 18.82 O ATOM 2051 CB TYR W 39 -16.892 12.058 -3.924 1.00 20.12 C ATOM 2052 CG TYR W 39 -17.702 11.565 -2.743 1.00 17.98 C ATOM 2053 CD1 TYR W 39 -18.773 10.699 -2.922 1.00 20.00 C ATOM 2054 CD2 TYR W 39 -17.396 11.971 -1.449 1.00 14.97 C ATOM 2055 CE1 TYR W 39 -19.516 10.249 -1.845 1.00 17.74 C ATOM 2056 CE2 TYR W 39 -18.134 11.527 -0.368 1.00 15.04 C ATOM 2057 CZ TYR W 39 -19.192 10.666 -0.571 1.00 20.10 C ATOM 2058 OH TYR W 39 -19.929 10.222 0.503 1.00 21.25 O ATOM 0 H TYR W 39 -15.024 10.107 -3.682 1.00 18.02 H new ATOM 0 HA TYR W 39 -17.395 10.580 -5.407 1.00 19.86 H new ATOM 0 HB2 TYR W 39 -15.987 12.542 -3.555 1.00 20.12 H new ATOM 0 HB3 TYR W 39 -17.466 12.818 -4.454 1.00 20.12 H new ATOM 0 HD1 TYR W 39 -19.030 10.371 -3.918 1.00 20.00 H new ATOM 0 HD2 TYR W 39 -16.568 12.645 -1.286 1.00 14.97 H new ATOM 0 HE1 TYR W 39 -20.345 9.575 -2.001 1.00 17.74 H new ATOM 0 HE2 TYR W 39 -17.883 11.853 0.631 1.00 15.04 H new ATOM 0 HH TYR W 39 -19.440 10.404 1.333 1.00 21.25 H new ATOM 2068 N PRO W 40 -15.446 10.871 -7.173 1.00 20.82 N ATOM 2069 CA PRO W 40 -14.543 11.335 -8.235 1.00 21.35 C ATOM 2070 C PRO W 40 -15.082 12.522 -9.047 1.00 20.40 C ATOM 2071 O PRO W 40 -14.418 12.984 -9.976 1.00 24.35 O ATOM 2072 CB PRO W 40 -14.407 10.104 -9.129 1.00 23.15 C ATOM 2073 CG PRO W 40 -15.711 9.399 -8.995 1.00 22.70 C ATOM 2074 CD PRO W 40 -16.176 9.642 -7.580 1.00 22.48 C ATOM 0 HA PRO W 40 -13.607 11.707 -7.818 1.00 21.35 H new ATOM 0 HB2 PRO W 40 -14.212 10.385 -10.164 1.00 23.15 H new ATOM 0 HB3 PRO W 40 -13.579 9.471 -8.809 1.00 23.15 H new ATOM 0 HG2 PRO W 40 -16.436 9.781 -9.714 1.00 22.70 H new ATOM 0 HG3 PRO W 40 -15.599 8.333 -9.191 1.00 22.70 H new ATOM 0 HD2 PRO W 40 -17.256 9.784 -7.533 1.00 22.48 H new ATOM 0 HD3 PRO W 40 -15.936 8.801 -6.930 1.00 22.48 H new ATOM 2082 N ASP W 41 -16.272 13.021 -8.705 1.00 21.05 N ATOM 2083 CA ASP W 41 -16.861 14.148 -9.429 1.00 26.81 C ATOM 2084 C ASP W 41 -16.540 15.488 -8.754 1.00 22.71 C ATOM 2085 O ASP W 41 -16.496 16.525 -9.416 1.00 22.40 O ATOM 2086 CB ASP W 41 -18.378 13.975 -9.533 1.00 30.80 C ATOM 2087 CG ASP W 41 -19.034 13.797 -8.176 1.00 34.63 C ATOM 2088 OD1 ASP W 41 -18.598 12.904 -7.420 1.00 42.50 O ATOM 2089 OD2 ASP W 41 -19.980 14.552 -7.871 1.00 36.87 O ATOM 0 H ASP W 41 -16.842 12.666 -7.938 1.00 21.05 H new ATOM 0 HA ASP W 41 -16.424 14.159 -10.427 1.00 26.81 H new ATOM 0 HB2 ASP W 41 -18.807 14.845 -10.030 1.00 30.80 H new ATOM 0 HB3 ASP W 41 -18.600 13.110 -10.157 1.00 30.80 H new ATOM 2094 N GLU W 42 -16.324 15.463 -7.441 1.00 21.09 N ATOM 2095 CA GLU W 42 -16.014 16.682 -6.693 1.00 22.89 C ATOM 2096 C GLU W 42 -14.508 16.942 -6.654 1.00 21.00 C ATOM 2097 O GLU W 42 -13.795 16.394 -5.812 1.00 20.70 O ATOM 2098 CB GLU W 42 -16.563 16.580 -5.269 1.00 24.38 C ATOM 2099 CG GLU W 42 -18.030 16.184 -5.215 1.00 23.49 C ATOM 2100 CD GLU W 42 -18.958 17.313 -5.621 1.00 28.75 C ATOM 2101 OE1 GLU W 42 -18.513 18.210 -6.367 1.00 31.85 O ATOM 2102 OE2 GLU W 42 -20.131 17.300 -5.193 1.00 28.52 O ATOM 0 H GLU W 42 -16.357 14.616 -6.873 1.00 21.09 H new ATOM 0 HA GLU W 42 -16.489 17.519 -7.204 1.00 22.89 H new ATOM 0 HB2 GLU W 42 -15.976 15.849 -4.713 1.00 24.38 H new ATOM 0 HB3 GLU W 42 -16.435 17.540 -4.768 1.00 24.38 H new ATOM 0 HG2 GLU W 42 -18.196 15.330 -5.871 1.00 23.49 H new ATOM 0 HG3 GLU W 42 -18.278 15.862 -4.204 1.00 23.49 H new ATOM 2109 N ILE W 43 -14.034 17.788 -7.570 1.00 20.51 N ATOM 2110 CA ILE W 43 -12.613 18.131 -7.650 1.00 22.94 C ATOM 2111 C ILE W 43 -12.392 19.635 -7.413 1.00 21.50 C ATOM 2112 O ILE W 43 -11.403 20.032 -6.802 1.00 20.46 O ATOM 2113 CB ILE W 43 -12.011 17.709 -9.021 1.00 22.82 C ATOM 2114 CG1 ILE W 43 -12.224 16.212 -9.265 1.00 26.23 C ATOM 2115 CG2 ILE W 43 -10.519 18.025 -9.102 1.00 25.20 C ATOM 2116 CD1 ILE W 43 -13.640 15.840 -9.635 1.00 27.36 C ATOM 0 H ILE W 43 -14.616 18.250 -8.269 1.00 20.51 H new ATOM 0 HA ILE W 43 -12.098 17.579 -6.863 1.00 22.94 H new ATOM 0 HB ILE W 43 -12.529 18.283 -9.790 1.00 22.82 H new ATOM 0 HG12 ILE W 43 -11.555 15.886 -10.061 1.00 26.23 H new ATOM 0 HG13 ILE W 43 -11.940 15.665 -8.366 1.00 26.23 H new ATOM 0 HG21 ILE W 43 -10.134 17.716 -10.074 1.00 25.20 H new ATOM 0 HG22 ILE W 43 -10.367 19.097 -8.975 1.00 25.20 H new ATOM 0 HG23 ILE W 43 -9.990 17.488 -8.315 1.00 25.20 H new ATOM 0 HD11 ILE W 43 -13.704 14.763 -9.790 1.00 27.36 H new ATOM 0 HD12 ILE W 43 -14.315 16.132 -8.830 1.00 27.36 H new ATOM 0 HD13 ILE W 43 -13.924 16.357 -10.552 1.00 27.36 H new ATOM 2128 N GLU W 44 -13.319 20.468 -7.896 1.00 21.14 N ATOM 2129 CA GLU W 44 -13.211 21.923 -7.733 1.00 21.66 C ATOM 2130 C GLU W 44 -13.095 22.331 -6.256 1.00 24.30 C ATOM 2131 O GLU W 44 -12.581 23.408 -5.948 1.00 28.19 O ATOM 2132 CB GLU W 44 -14.415 22.623 -8.368 1.00 19.84 C ATOM 2133 CG GLU W 44 -14.196 24.111 -8.602 1.00 19.76 C ATOM 2134 CD GLU W 44 -13.102 24.386 -9.614 1.00 31.19 C ATOM 2135 OE1 GLU W 44 -13.218 23.901 -10.759 1.00 31.83 O ATOM 2136 OE2 GLU W 44 -12.130 25.085 -9.262 1.00 31.14 O ATOM 0 H GLU W 44 -14.150 20.162 -8.402 1.00 21.14 H new ATOM 0 HA GLU W 44 -12.298 22.235 -8.240 1.00 21.66 H new ATOM 0 HB2 GLU W 44 -14.644 22.143 -9.319 1.00 19.84 H new ATOM 0 HB3 GLU W 44 -15.285 22.488 -7.725 1.00 19.84 H new ATOM 0 HG2 GLU W 44 -15.127 24.562 -8.947 1.00 19.76 H new ATOM 0 HG3 GLU W 44 -13.941 24.590 -7.657 1.00 19.76 H new ATOM 2143 N TYR W 45 -13.572 21.477 -5.349 1.00 24.94 N ATOM 2144 CA TYR W 45 -13.509 21.767 -3.912 1.00 22.85 C ATOM 2145 C TYR W 45 -12.493 20.862 -3.215 1.00 24.15 C ATOM 2146 O TYR W 45 -12.816 19.738 -2.836 1.00 23.40 O ATOM 2147 CB TYR W 45 -14.887 21.578 -3.273 1.00 19.22 C ATOM 2148 CG TYR W 45 -15.978 22.400 -3.920 1.00 20.95 C ATOM 2149 CD1 TYR W 45 -15.875 23.782 -4.008 1.00 21.39 C ATOM 2150 CD2 TYR W 45 -17.112 21.790 -4.444 1.00 27.32 C ATOM 2151 CE1 TYR W 45 -16.873 24.534 -4.598 1.00 25.10 C ATOM 2152 CE2 TYR W 45 -18.113 22.535 -5.035 1.00 29.09 C ATOM 2153 CZ TYR W 45 -17.989 23.906 -5.110 1.00 32.05 C ATOM 2154 OH TYR W 45 -18.985 24.651 -5.698 1.00 31.20 O ATOM 0 H TYR W 45 -14.005 20.583 -5.580 1.00 24.94 H new ATOM 0 HA TYR W 45 -13.193 22.803 -3.792 1.00 22.85 H new ATOM 0 HB2 TYR W 45 -15.160 20.524 -3.325 1.00 19.22 H new ATOM 0 HB3 TYR W 45 -14.826 21.839 -2.217 1.00 19.22 H new ATOM 0 HD1 TYR W 45 -15.002 24.277 -3.609 1.00 21.39 H new ATOM 0 HD2 TYR W 45 -17.212 20.716 -4.388 1.00 27.32 H new ATOM 0 HE1 TYR W 45 -16.779 25.608 -4.658 1.00 25.10 H new ATOM 0 HE2 TYR W 45 -18.988 22.046 -5.436 1.00 29.09 H new ATOM 0 HH TYR W 45 -19.699 24.056 -6.008 1.00 31.20 H new ATOM 2164 N ILE W 46 -11.263 21.358 -3.063 1.00 24.18 N ATOM 2165 CA ILE W 46 -10.192 20.591 -2.416 1.00 21.43 C ATOM 2166 C ILE W 46 -10.590 20.177 -0.995 1.00 21.60 C ATOM 2167 O ILE W 46 -10.936 21.016 -0.160 1.00 20.52 O ATOM 2168 CB ILE W 46 -8.859 21.393 -2.385 1.00 25.52 C ATOM 2169 CG1 ILE W 46 -8.462 21.837 -3.798 1.00 21.82 C ATOM 2170 CG2 ILE W 46 -7.726 20.573 -1.772 1.00 21.16 C ATOM 2171 CD1 ILE W 46 -7.559 23.053 -3.817 1.00 29.98 C ATOM 0 H ILE W 46 -10.982 22.287 -3.378 1.00 24.18 H new ATOM 0 HA ILE W 46 -10.036 19.690 -3.010 1.00 21.43 H new ATOM 0 HB ILE W 46 -9.025 22.272 -1.763 1.00 25.52 H new ATOM 0 HG12 ILE W 46 -7.958 21.012 -4.302 1.00 21.82 H new ATOM 0 HG13 ILE W 46 -9.365 22.055 -4.369 1.00 21.82 H new ATOM 0 HG21 ILE W 46 -6.810 21.164 -1.767 1.00 21.16 H new ATOM 0 HG22 ILE W 46 -7.987 20.299 -0.750 1.00 21.16 H new ATOM 0 HG23 ILE W 46 -7.571 19.669 -2.361 1.00 21.16 H new ATOM 0 HD11 ILE W 46 -7.318 23.311 -4.848 1.00 29.98 H new ATOM 0 HD12 ILE W 46 -8.068 23.892 -3.342 1.00 29.98 H new ATOM 0 HD13 ILE W 46 -6.640 22.832 -3.274 1.00 29.98 H new ATOM 2183 N PHE W 47 -10.553 18.871 -0.733 1.00 20.05 N ATOM 2184 CA PHE W 47 -10.918 18.337 0.577 1.00 17.98 C ATOM 2185 C PHE W 47 -9.690 18.156 1.464 1.00 17.21 C ATOM 2186 O PHE W 47 -8.662 17.645 1.022 1.00 17.75 O ATOM 2187 CB PHE W 47 -11.634 16.993 0.420 1.00 17.67 C ATOM 2188 CG PHE W 47 -12.846 17.053 -0.462 1.00 22.55 C ATOM 2189 CD1 PHE W 47 -13.990 17.714 -0.046 1.00 22.18 C ATOM 2190 CD2 PHE W 47 -12.845 16.441 -1.705 1.00 19.49 C ATOM 2191 CE1 PHE W 47 -15.109 17.766 -0.855 1.00 25.50 C ATOM 2192 CE2 PHE W 47 -13.960 16.490 -2.519 1.00 17.66 C ATOM 2193 CZ PHE W 47 -15.095 17.153 -2.093 1.00 18.70 C ATOM 0 H PHE W 47 -10.273 18.163 -1.412 1.00 20.05 H new ATOM 0 HA PHE W 47 -11.586 19.055 1.052 1.00 17.98 H new ATOM 0 HB2 PHE W 47 -10.934 16.264 0.011 1.00 17.67 H new ATOM 0 HB3 PHE W 47 -11.930 16.632 1.405 1.00 17.67 H new ATOM 0 HD1 PHE W 47 -14.008 18.194 0.921 1.00 22.18 H new ATOM 0 HD2 PHE W 47 -11.961 15.919 -2.042 1.00 19.49 H new ATOM 0 HE1 PHE W 47 -15.994 18.286 -0.520 1.00 25.50 H new ATOM 0 HE2 PHE W 47 -13.945 16.011 -3.487 1.00 17.66 H new ATOM 0 HZ PHE W 47 -15.969 17.192 -2.726 1.00 18.70 H new ATOM 2203 N LYS W 48 -9.812 18.574 2.719 1.00 18.90 N ATOM 2204 CA LYS W 48 -8.722 18.454 3.684 1.00 19.54 C ATOM 2205 C LYS W 48 -9.256 17.927 5.028 1.00 19.08 C ATOM 2206 O LYS W 48 -10.045 18.616 5.673 1.00 20.00 O ATOM 2207 CB LYS W 48 -8.054 19.819 3.885 1.00 23.03 C ATOM 2208 CG LYS W 48 -7.006 20.139 2.832 1.00 28.93 C ATOM 2209 CD LYS W 48 -6.043 21.216 3.307 1.00 34.45 C ATOM 2210 CE LYS W 48 -4.968 20.647 4.221 1.00 30.35 C ATOM 2211 NZ LYS W 48 -4.326 19.428 3.651 1.00 31.52 N ATOM 0 H LYS W 48 -10.659 19.001 3.095 1.00 18.90 H new ATOM 0 HA LYS W 48 -7.986 17.748 3.299 1.00 19.54 H new ATOM 0 HB2 LYS W 48 -8.819 20.595 3.873 1.00 23.03 H new ATOM 0 HB3 LYS W 48 -7.588 19.846 4.870 1.00 23.03 H new ATOM 0 HG2 LYS W 48 -6.449 19.235 2.586 1.00 28.93 H new ATOM 0 HG3 LYS W 48 -7.498 20.469 1.917 1.00 28.93 H new ATOM 0 HD2 LYS W 48 -5.574 21.690 2.445 1.00 34.45 H new ATOM 0 HD3 LYS W 48 -6.597 21.992 3.836 1.00 34.45 H new ATOM 0 HE2 LYS W 48 -4.206 21.406 4.399 1.00 30.35 H new ATOM 0 HE3 LYS W 48 -5.408 20.404 5.188 1.00 30.35 H new ATOM 0 HZ1 LYS W 48 -3.430 19.244 4.146 1.00 31.52 H new ATOM 0 HZ2 LYS W 48 -4.961 18.613 3.771 1.00 31.52 H new ATOM 0 HZ3 LYS W 48 -4.139 19.575 2.639 1.00 31.52 H new ATOM 2225 N PRO W 49 -8.860 16.708 5.490 1.00 18.89 N ATOM 2226 CA PRO W 49 -7.919 15.801 4.800 1.00 18.40 C ATOM 2227 C PRO W 49 -8.524 15.165 3.553 1.00 15.52 C ATOM 2228 O PRO W 49 -9.742 15.035 3.437 1.00 18.94 O ATOM 2229 CB PRO W 49 -7.625 14.728 5.855 1.00 14.98 C ATOM 2230 CG PRO W 49 -8.833 14.709 6.722 1.00 14.79 C ATOM 2231 CD PRO W 49 -9.325 16.129 6.769 1.00 18.07 C ATOM 0 HA PRO W 49 -7.034 16.330 4.446 1.00 18.40 H new ATOM 0 HB2 PRO W 49 -7.454 13.756 5.393 1.00 14.98 H new ATOM 0 HB3 PRO W 49 -6.730 14.971 6.428 1.00 14.98 H new ATOM 0 HG2 PRO W 49 -9.595 14.044 6.316 1.00 14.79 H new ATOM 0 HG3 PRO W 49 -8.592 14.345 7.721 1.00 14.79 H new ATOM 0 HD2 PRO W 49 -10.411 16.173 6.856 1.00 18.07 H new ATOM 0 HD3 PRO W 49 -8.914 16.666 7.624 1.00 18.07 H new ATOM 2239 N SER W 50 -7.661 14.767 2.622 1.00 15.44 N ATOM 2240 CA SER W 50 -8.104 14.143 1.378 1.00 16.83 C ATOM 2241 C SER W 50 -8.603 12.704 1.586 1.00 15.34 C ATOM 2242 O SER W 50 -9.240 12.140 0.696 1.00 17.23 O ATOM 2243 CB SER W 50 -6.963 14.150 0.358 1.00 18.85 C ATOM 2244 OG SER W 50 -5.804 13.533 0.890 1.00 21.16 O ATOM 0 H SER W 50 -6.649 14.866 2.706 1.00 15.44 H new ATOM 0 HA SER W 50 -8.945 14.728 1.006 1.00 16.83 H new ATOM 0 HB2 SER W 50 -7.275 13.627 -0.546 1.00 18.85 H new ATOM 0 HB3 SER W 50 -6.734 15.176 0.070 1.00 18.85 H new ATOM 0 HG SER W 50 -6.031 13.078 1.728 1.00 21.16 H new ATOM 2250 N CYS W 51 -8.318 12.108 2.749 1.00 15.45 N ATOM 2251 CA CYS W 51 -8.749 10.741 3.036 1.00 16.40 C ATOM 2252 C CYS W 51 -9.408 10.667 4.413 1.00 17.08 C ATOM 2253 O CYS W 51 -9.262 11.580 5.223 1.00 16.57 O ATOM 2254 CB CYS W 51 -7.554 9.782 2.966 1.00 19.71 C ATOM 2255 SG CYS W 51 -6.197 10.181 4.119 1.00 21.21 S ATOM 0 H CYS W 51 -7.792 12.551 3.502 1.00 15.45 H new ATOM 0 HA CYS W 51 -9.481 10.443 2.285 1.00 16.40 H new ATOM 0 HB2 CYS W 51 -7.903 8.770 3.172 1.00 19.71 H new ATOM 0 HB3 CYS W 51 -7.162 9.783 1.949 1.00 19.71 H new ATOM 2260 N VAL W 52 -10.144 9.586 4.669 1.00 14.15 N ATOM 2261 CA VAL W 52 -10.830 9.417 5.952 1.00 15.98 C ATOM 2262 C VAL W 52 -10.739 7.970 6.455 1.00 15.04 C ATOM 2263 O VAL W 52 -10.809 7.035 5.658 1.00 16.97 O ATOM 2264 CB VAL W 52 -12.318 9.810 5.840 1.00 16.18 C ATOM 2265 CG1 VAL W 52 -12.461 11.302 5.579 1.00 19.43 C ATOM 2266 CG2 VAL W 52 -13.011 9.007 4.747 1.00 12.40 C ATOM 0 H VAL W 52 -10.281 8.819 4.011 1.00 14.15 H new ATOM 0 HA VAL W 52 -10.329 10.074 6.664 1.00 15.98 H new ATOM 0 HB VAL W 52 -12.801 9.579 6.789 1.00 16.18 H new ATOM 0 HG11 VAL W 52 -13.518 11.558 5.503 1.00 19.43 H new ATOM 0 HG12 VAL W 52 -12.010 11.860 6.400 1.00 19.43 H new ATOM 0 HG13 VAL W 52 -11.958 11.558 4.647 1.00 19.43 H new ATOM 0 HG21 VAL W 52 -14.059 9.302 4.688 1.00 12.40 H new ATOM 0 HG22 VAL W 52 -12.525 9.199 3.791 1.00 12.40 H new ATOM 0 HG23 VAL W 52 -12.946 7.944 4.980 1.00 12.40 H new ATOM 2276 N PRO W 53 -10.585 7.751 7.786 1.00 18.15 N ATOM 2277 CA PRO W 53 -10.496 6.396 8.343 1.00 16.28 C ATOM 2278 C PRO W 53 -11.859 5.713 8.422 1.00 15.53 C ATOM 2279 O PRO W 53 -12.805 6.258 8.989 1.00 18.35 O ATOM 2280 CB PRO W 53 -9.932 6.630 9.744 1.00 17.65 C ATOM 2281 CG PRO W 53 -10.430 7.979 10.126 1.00 16.29 C ATOM 2282 CD PRO W 53 -10.491 8.782 8.851 1.00 14.81 C ATOM 0 HA PRO W 53 -9.884 5.738 7.726 1.00 16.28 H new ATOM 0 HB2 PRO W 53 -10.276 5.867 10.443 1.00 17.65 H new ATOM 0 HB3 PRO W 53 -8.843 6.594 9.744 1.00 17.65 H new ATOM 0 HG2 PRO W 53 -11.413 7.913 10.592 1.00 16.29 H new ATOM 0 HG3 PRO W 53 -9.765 8.449 10.850 1.00 16.29 H new ATOM 0 HD2 PRO W 53 -11.353 9.449 8.839 1.00 14.81 H new ATOM 0 HD3 PRO W 53 -9.605 9.405 8.728 1.00 14.81 H new ATOM 2290 N LEU W 54 -11.951 4.518 7.845 1.00 14.44 N ATOM 2291 CA LEU W 54 -13.200 3.761 7.845 1.00 18.24 C ATOM 2292 C LEU W 54 -12.940 2.275 8.072 1.00 18.04 C ATOM 2293 O LEU W 54 -11.932 1.735 7.618 1.00 20.24 O ATOM 2294 CB LEU W 54 -13.941 3.965 6.523 1.00 17.00 C ATOM 2295 CG LEU W 54 -14.200 5.426 6.155 1.00 16.21 C ATOM 2296 CD1 LEU W 54 -14.650 5.540 4.707 1.00 17.26 C ATOM 2297 CD2 LEU W 54 -15.237 6.031 7.088 1.00 14.05 C ATOM 0 H LEU W 54 -11.176 4.053 7.372 1.00 14.44 H new ATOM 0 HA LEU W 54 -13.819 4.130 8.663 1.00 18.24 H new ATOM 0 HB2 LEU W 54 -13.364 3.500 5.723 1.00 17.00 H new ATOM 0 HB3 LEU W 54 -14.896 3.442 6.573 1.00 17.00 H new ATOM 0 HG LEU W 54 -13.269 5.982 6.268 1.00 16.21 H new ATOM 0 HD11 LEU W 54 -14.830 6.587 4.463 1.00 17.26 H new ATOM 0 HD12 LEU W 54 -13.874 5.143 4.053 1.00 17.26 H new ATOM 0 HD13 LEU W 54 -15.569 4.972 4.566 1.00 17.26 H new ATOM 0 HD21 LEU W 54 -15.411 7.071 6.813 1.00 14.05 H new ATOM 0 HD22 LEU W 54 -16.170 5.473 7.006 1.00 14.05 H new ATOM 0 HD23 LEU W 54 -14.875 5.982 8.115 1.00 14.05 H new ATOM 2309 N MET W 55 -13.859 1.620 8.774 1.00 18.63 N ATOM 2310 CA MET W 55 -13.733 0.194 9.059 1.00 16.26 C ATOM 2311 C MET W 55 -14.219 -0.639 7.873 1.00 17.32 C ATOM 2312 O MET W 55 -15.419 -0.724 7.615 1.00 17.67 O ATOM 2313 CB MET W 55 -14.528 -0.169 10.319 1.00 17.69 C ATOM 2314 CG MET W 55 -13.903 0.355 11.609 1.00 26.18 C ATOM 2315 SD MET W 55 -13.582 -0.938 12.829 1.00 29.95 S ATOM 2316 CE MET W 55 -12.517 -2.036 11.899 1.00 27.46 C ATOM 0 H MET W 55 -14.699 2.053 9.156 1.00 18.63 H new ATOM 0 HA MET W 55 -12.680 -0.029 9.230 1.00 16.26 H new ATOM 0 HB2 MET W 55 -15.539 0.228 10.228 1.00 17.69 H new ATOM 0 HB3 MET W 55 -14.616 -1.254 10.383 1.00 17.69 H new ATOM 0 HG2 MET W 55 -12.967 0.860 11.371 1.00 26.18 H new ATOM 0 HG3 MET W 55 -14.565 1.101 12.048 1.00 26.18 H new ATOM 0 HE1 MET W 55 -13.052 -2.959 11.676 1.00 27.46 H new ATOM 0 HE2 MET W 55 -12.222 -1.554 10.967 1.00 27.46 H new ATOM 0 HE3 MET W 55 -11.628 -2.265 12.487 1.00 27.46 H new ATOM 2326 N ARG W 56 -13.276 -1.248 7.156 1.00 17.52 N ATOM 2327 CA ARG W 56 -13.602 -2.075 5.995 1.00 16.72 C ATOM 2328 C ARG W 56 -13.116 -3.507 6.195 1.00 20.36 C ATOM 2329 O ARG W 56 -12.439 -3.810 7.177 1.00 17.67 O ATOM 2330 CB ARG W 56 -12.968 -1.486 4.731 1.00 15.54 C ATOM 2331 CG ARG W 56 -13.407 -0.058 4.439 1.00 17.48 C ATOM 2332 CD ARG W 56 -14.532 0.004 3.410 1.00 18.06 C ATOM 2333 NE ARG W 56 -14.145 0.765 2.219 1.00 20.35 N ATOM 2334 CZ ARG W 56 -13.467 0.260 1.184 1.00 19.64 C ATOM 2335 NH1 ARG W 56 -13.087 -1.016 1.169 1.00 22.42 N ATOM 2336 NH2 ARG W 56 -13.166 1.038 0.153 1.00 17.11 N ATOM 0 H ARG W 56 -12.278 -1.184 7.359 1.00 17.52 H new ATOM 0 HA ARG W 56 -14.686 -2.088 5.882 1.00 16.72 H new ATOM 0 HB2 ARG W 56 -11.883 -1.510 4.833 1.00 15.54 H new ATOM 0 HB3 ARG W 56 -13.222 -2.117 3.879 1.00 15.54 H new ATOM 0 HG2 ARG W 56 -13.738 0.414 5.364 1.00 17.48 H new ATOM 0 HG3 ARG W 56 -12.554 0.515 4.076 1.00 17.48 H new ATOM 0 HD2 ARG W 56 -14.813 -1.008 3.118 1.00 18.06 H new ATOM 0 HD3 ARG W 56 -15.412 0.461 3.862 1.00 18.06 H new ATOM 0 HE ARG W 56 -14.412 1.749 2.177 1.00 20.35 H new ATOM 0 HH11 ARG W 56 -13.313 -1.625 1.956 1.00 22.42 H new ATOM 0 HH12 ARG W 56 -12.570 -1.385 0.371 1.00 22.42 H new ATOM 0 HH21 ARG W 56 -13.452 2.017 0.152 1.00 17.11 H new ATOM 0 HH22 ARG W 56 -12.649 0.657 -0.639 1.00 17.11 H new ATOM 2350 N CYS W 57 -13.459 -4.384 5.256 1.00 18.88 N ATOM 2351 CA CYS W 57 -13.049 -5.783 5.327 1.00 20.25 C ATOM 2352 C CYS W 57 -11.756 -6.004 4.550 1.00 20.97 C ATOM 2353 O CYS W 57 -11.617 -5.539 3.418 1.00 18.96 O ATOM 2354 CB CYS W 57 -14.148 -6.695 4.776 1.00 20.58 C ATOM 2355 SG CYS W 57 -15.766 -6.504 5.596 1.00 25.83 S ATOM 0 H CYS W 57 -14.020 -4.151 4.437 1.00 18.88 H new ATOM 0 HA CYS W 57 -12.877 -6.031 6.374 1.00 20.25 H new ATOM 0 HB2 CYS W 57 -14.268 -6.496 3.711 1.00 20.58 H new ATOM 0 HB3 CYS W 57 -13.825 -7.732 4.872 1.00 20.58 H new ATOM 2360 N GLY W 58 -10.811 -6.714 5.164 1.00 22.11 N ATOM 2361 CA GLY W 58 -9.539 -6.984 4.516 1.00 19.61 C ATOM 2362 C GLY W 58 -8.969 -8.344 4.885 1.00 21.83 C ATOM 2363 O GLY W 58 -9.264 -8.878 5.954 1.00 18.82 O ATOM 0 H GLY W 58 -10.905 -7.107 6.100 1.00 22.11 H new ATOM 0 HA2 GLY W 58 -9.668 -6.930 3.435 1.00 19.61 H new ATOM 0 HA3 GLY W 58 -8.824 -6.208 4.791 1.00 19.61 H new ATOM 2367 N GLY W 59 -8.147 -8.900 3.995 1.00 24.57 N ATOM 2368 CA GLY W 59 -7.540 -10.199 4.239 1.00 20.99 C ATOM 2369 C GLY W 59 -7.762 -11.171 3.093 1.00 21.40 C ATOM 2370 O GLY W 59 -7.606 -10.812 1.926 1.00 23.09 O ATOM 0 H GLY W 59 -7.890 -8.471 3.106 1.00 24.57 H new ATOM 0 HA2 GLY W 59 -6.470 -10.071 4.400 1.00 20.99 H new ATOM 0 HA3 GLY W 59 -7.952 -10.622 5.155 1.00 20.99 H new ATOM 2374 N CYS W 60 -8.125 -12.405 3.430 1.00 19.78 N ATOM 2375 CA CYS W 60 -8.369 -13.434 2.424 1.00 21.68 C ATOM 2376 C CYS W 60 -9.333 -14.493 2.955 1.00 21.45 C ATOM 2377 O CYS W 60 -9.669 -14.500 4.138 1.00 17.64 O ATOM 2378 CB CYS W 60 -7.049 -14.082 1.998 1.00 21.05 C ATOM 2379 SG CYS W 60 -6.087 -14.796 3.373 1.00 27.37 S ATOM 0 H CYS W 60 -8.257 -12.717 4.392 1.00 19.78 H new ATOM 0 HA CYS W 60 -8.826 -12.962 1.554 1.00 21.68 H new ATOM 0 HB2 CYS W 60 -7.261 -14.867 1.272 1.00 21.05 H new ATOM 0 HB3 CYS W 60 -6.438 -13.335 1.491 1.00 21.05 H new ATOM 2384 N CYS W 61 -9.781 -15.382 2.070 1.00 21.80 N ATOM 2385 CA CYS W 61 -10.715 -16.439 2.449 1.00 20.14 C ATOM 2386 C CYS W 61 -9.998 -17.774 2.646 1.00 20.95 C ATOM 2387 O CYS W 61 -8.778 -17.861 2.509 1.00 23.30 O ATOM 2388 CB CYS W 61 -11.805 -16.582 1.387 1.00 22.63 C ATOM 2389 SG CYS W 61 -13.040 -15.242 1.408 1.00 23.44 S ATOM 0 H CYS W 61 -9.512 -15.391 1.086 1.00 21.80 H new ATOM 0 HA CYS W 61 -11.170 -16.159 3.399 1.00 20.14 H new ATOM 0 HB2 CYS W 61 -11.337 -16.616 0.403 1.00 22.63 H new ATOM 0 HB3 CYS W 61 -12.315 -17.535 1.530 1.00 22.63 H new ATOM 2394 N ASN W 62 -10.768 -18.809 2.977 1.00 21.56 N ATOM 2395 CA ASN W 62 -10.216 -20.142 3.204 1.00 23.91 C ATOM 2396 C ASN W 62 -9.815 -20.820 1.894 1.00 23.42 C ATOM 2397 O ASN W 62 -8.876 -21.614 1.865 1.00 25.24 O ATOM 2398 CB ASN W 62 -11.236 -21.015 3.938 1.00 23.74 C ATOM 2399 CG ASN W 62 -11.548 -20.497 5.327 1.00 25.11 C ATOM 2400 OD1 ASN W 62 -11.874 -19.325 5.505 1.00 23.95 O ATOM 2401 ND2 ASN W 62 -11.450 -21.372 6.323 1.00 23.99 N ATOM 0 H ASN W 62 -11.779 -18.749 3.094 1.00 21.56 H new ATOM 0 HA ASN W 62 -9.320 -20.026 3.814 1.00 23.91 H new ATOM 0 HB2 ASN W 62 -12.156 -21.061 3.356 1.00 23.74 H new ATOM 0 HB3 ASN W 62 -10.853 -22.033 4.011 1.00 23.74 H new ATOM 0 HD21 ASN W 62 -11.649 -21.080 7.280 1.00 23.99 H new ATOM 0 HD22 ASN W 62 -11.176 -22.335 6.130 1.00 23.99 H new ATOM 2408 N ASP W 63 -10.539 -20.516 0.820 1.00 25.40 N ATOM 2409 CA ASP W 63 -10.262 -21.114 -0.486 1.00 24.08 C ATOM 2410 C ASP W 63 -10.111 -20.045 -1.564 1.00 25.95 C ATOM 2411 O ASP W 63 -10.463 -18.884 -1.358 1.00 22.93 O ATOM 2412 CB ASP W 63 -11.384 -22.080 -0.869 1.00 21.47 C ATOM 2413 CG ASP W 63 -10.940 -23.111 -1.889 1.00 28.33 C ATOM 2414 OD1 ASP W 63 -9.952 -23.827 -1.618 1.00 24.70 O ATOM 2415 OD2 ASP W 63 -11.579 -23.205 -2.958 1.00 27.06 O ATOM 0 H ASP W 63 -11.321 -19.861 0.827 1.00 25.40 H new ATOM 0 HA ASP W 63 -9.321 -21.660 -0.413 1.00 24.08 H new ATOM 0 HB2 ASP W 63 -11.742 -22.590 0.026 1.00 21.47 H new ATOM 0 HB3 ASP W 63 -12.225 -21.514 -1.271 1.00 21.47 H new ATOM 2420 N GLU W 64 -9.582 -20.451 -2.715 1.00 24.75 N ATOM 2421 CA GLU W 64 -9.375 -19.537 -3.833 1.00 31.24 C ATOM 2422 C GLU W 64 -10.698 -19.158 -4.501 1.00 31.24 C ATOM 2423 O GLU W 64 -10.823 -18.073 -5.068 1.00 31.71 O ATOM 2424 CB GLU W 64 -8.442 -20.174 -4.866 1.00 37.81 C ATOM 2425 CG GLU W 64 -7.816 -19.167 -5.817 1.00 43.99 C ATOM 2426 CD GLU W 64 -7.102 -19.829 -6.978 1.00 49.03 C ATOM 2427 OE1 GLU W 64 -7.777 -20.502 -7.786 1.00 47.54 O ATOM 2428 OE2 GLU W 64 -5.866 -19.675 -7.080 1.00 49.47 O ATOM 0 H GLU W 64 -9.288 -21.411 -2.898 1.00 24.75 H new ATOM 0 HA GLU W 64 -8.921 -18.628 -3.438 1.00 31.24 H new ATOM 0 HB2 GLU W 64 -7.650 -20.712 -4.346 1.00 37.81 H new ATOM 0 HB3 GLU W 64 -9.001 -20.910 -5.444 1.00 37.81 H new ATOM 0 HG2 GLU W 64 -8.592 -18.505 -6.202 1.00 43.99 H new ATOM 0 HG3 GLU W 64 -7.110 -18.544 -5.268 1.00 43.99 H new ATOM 2435 N GLY W 65 -11.673 -20.062 -4.441 1.00 28.34 N ATOM 2436 CA GLY W 65 -12.967 -19.810 -5.057 1.00 26.74 C ATOM 2437 C GLY W 65 -13.912 -18.956 -4.213 1.00 27.08 C ATOM 2438 O GLY W 65 -15.078 -18.799 -4.572 1.00 24.33 O ATOM 0 H GLY W 65 -11.591 -20.966 -3.976 1.00 28.34 H new ATOM 0 HA2 GLY W 65 -12.809 -19.316 -6.016 1.00 26.74 H new ATOM 0 HA3 GLY W 65 -13.449 -20.765 -5.266 1.00 26.74 H new ATOM 2442 N LEU W 66 -13.425 -18.400 -3.101 1.00 26.08 N ATOM 2443 CA LEU W 66 -14.258 -17.560 -2.238 1.00 23.78 C ATOM 2444 C LEU W 66 -13.876 -16.090 -2.387 1.00 21.33 C ATOM 2445 O LEU W 66 -12.953 -15.761 -3.129 1.00 21.06 O ATOM 2446 CB LEU W 66 -14.113 -17.989 -0.777 1.00 22.97 C ATOM 2447 CG LEU W 66 -14.735 -19.345 -0.445 1.00 25.62 C ATOM 2448 CD1 LEU W 66 -14.367 -19.771 0.967 1.00 23.62 C ATOM 2449 CD2 LEU W 66 -16.245 -19.289 -0.613 1.00 18.27 C ATOM 0 H LEU W 66 -12.464 -18.515 -2.779 1.00 26.08 H new ATOM 0 HA LEU W 66 -15.297 -17.684 -2.543 1.00 23.78 H new ATOM 0 HB2 LEU W 66 -13.053 -18.019 -0.525 1.00 22.97 H new ATOM 0 HB3 LEU W 66 -14.570 -17.230 -0.142 1.00 22.97 H new ATOM 0 HG LEU W 66 -14.338 -20.087 -1.138 1.00 25.62 H new ATOM 0 HD11 LEU W 66 -14.819 -20.739 1.185 1.00 23.62 H new ATOM 0 HD12 LEU W 66 -13.283 -19.849 1.053 1.00 23.62 H new ATOM 0 HD13 LEU W 66 -14.734 -19.031 1.678 1.00 23.62 H new ATOM 0 HD21 LEU W 66 -16.674 -20.262 -0.373 1.00 18.27 H new ATOM 0 HD22 LEU W 66 -16.658 -18.535 0.057 1.00 18.27 H new ATOM 0 HD23 LEU W 66 -16.487 -19.030 -1.644 1.00 18.27 H new ATOM 2461 N GLU W 67 -14.586 -15.214 -1.680 1.00 19.14 N ATOM 2462 CA GLU W 67 -14.309 -13.784 -1.741 1.00 19.47 C ATOM 2463 C GLU W 67 -14.685 -13.102 -0.427 1.00 19.79 C ATOM 2464 O GLU W 67 -15.756 -13.348 0.129 1.00 21.58 O ATOM 2465 CB GLU W 67 -15.075 -13.141 -2.898 1.00 19.75 C ATOM 2466 CG GLU W 67 -16.560 -13.463 -2.894 1.00 25.71 C ATOM 2467 CD GLU W 67 -17.367 -12.517 -3.763 1.00 32.53 C ATOM 2468 OE1 GLU W 67 -17.406 -11.309 -3.449 1.00 33.41 O ATOM 2469 OE2 GLU W 67 -17.961 -12.984 -4.756 1.00 36.04 O ATOM 0 H GLU W 67 -15.355 -15.470 -1.060 1.00 19.14 H new ATOM 0 HA GLU W 67 -13.240 -13.654 -1.907 1.00 19.47 H new ATOM 0 HB2 GLU W 67 -14.946 -12.060 -2.853 1.00 19.75 H new ATOM 0 HB3 GLU W 67 -14.641 -13.475 -3.841 1.00 19.75 H new ATOM 0 HG2 GLU W 67 -16.707 -14.485 -3.243 1.00 25.71 H new ATOM 0 HG3 GLU W 67 -16.934 -13.419 -1.871 1.00 25.71 H new ATOM 2476 N CYS W 68 -13.796 -12.241 0.058 1.00 19.05 N ATOM 2477 CA CYS W 68 -14.025 -11.511 1.302 1.00 17.37 C ATOM 2478 C CYS W 68 -14.897 -10.280 1.045 1.00 21.39 C ATOM 2479 O CYS W 68 -14.438 -9.293 0.471 1.00 20.70 O ATOM 2480 CB CYS W 68 -12.677 -11.102 1.916 1.00 19.41 C ATOM 2481 SG CYS W 68 -12.794 -10.136 3.459 1.00 22.04 S ATOM 0 H CYS W 68 -12.906 -12.030 -0.393 1.00 19.05 H new ATOM 0 HA CYS W 68 -14.551 -12.158 2.005 1.00 17.37 H new ATOM 0 HB2 CYS W 68 -12.096 -12.003 2.112 1.00 19.41 H new ATOM 0 HB3 CYS W 68 -12.122 -10.519 1.181 1.00 19.41 H new ATOM 2486 N VAL W 69 -16.163 -10.355 1.458 1.00 18.94 N ATOM 2487 CA VAL W 69 -17.108 -9.253 1.262 1.00 20.75 C ATOM 2488 C VAL W 69 -17.886 -8.952 2.549 1.00 18.63 C ATOM 2489 O VAL W 69 -17.957 -9.801 3.438 1.00 18.78 O ATOM 2490 CB VAL W 69 -18.107 -9.571 0.130 1.00 21.24 C ATOM 2491 CG1 VAL W 69 -17.402 -9.587 -1.219 1.00 20.66 C ATOM 2492 CG2 VAL W 69 -18.809 -10.899 0.383 1.00 25.00 C ATOM 0 H VAL W 69 -16.559 -11.168 1.931 1.00 18.94 H new ATOM 0 HA VAL W 69 -16.522 -8.376 0.987 1.00 20.75 H new ATOM 0 HB VAL W 69 -18.862 -8.785 0.114 1.00 21.24 H new ATOM 0 HG11 VAL W 69 -18.124 -9.813 -2.004 1.00 20.66 H new ATOM 0 HG12 VAL W 69 -16.955 -8.611 -1.407 1.00 20.66 H new ATOM 0 HG13 VAL W 69 -16.622 -10.348 -1.213 1.00 20.66 H new ATOM 0 HG21 VAL W 69 -19.508 -11.101 -0.428 1.00 25.00 H new ATOM 0 HG22 VAL W 69 -18.069 -11.698 0.432 1.00 25.00 H new ATOM 0 HG23 VAL W 69 -19.353 -10.849 1.326 1.00 25.00 H new ATOM 2502 N PRO W 70 -18.482 -7.739 2.686 1.00 22.59 N ATOM 2503 CA PRO W 70 -19.236 -7.374 3.889 1.00 24.42 C ATOM 2504 C PRO W 70 -20.677 -7.880 3.864 1.00 26.07 C ATOM 2505 O PRO W 70 -21.283 -7.997 2.799 1.00 28.44 O ATOM 2506 CB PRO W 70 -19.206 -5.849 3.851 1.00 22.16 C ATOM 2507 CG PRO W 70 -19.227 -5.519 2.399 1.00 20.82 C ATOM 2508 CD PRO W 70 -18.468 -6.626 1.701 1.00 20.55 C ATOM 0 HA PRO W 70 -18.808 -7.812 4.790 1.00 24.42 H new ATOM 0 HB2 PRO W 70 -20.064 -5.421 4.369 1.00 22.16 H new ATOM 0 HB3 PRO W 70 -18.312 -5.456 4.336 1.00 22.16 H new ATOM 0 HG2 PRO W 70 -20.250 -5.456 2.029 1.00 20.82 H new ATOM 0 HG3 PRO W 70 -18.761 -4.551 2.213 1.00 20.82 H new ATOM 0 HD2 PRO W 70 -18.949 -6.913 0.766 1.00 20.55 H new ATOM 0 HD3 PRO W 70 -17.451 -6.321 1.456 1.00 20.55 H new ATOM 2516 N THR W 71 -21.220 -8.175 5.046 1.00 24.45 N ATOM 2517 CA THR W 71 -22.589 -8.666 5.161 1.00 29.82 C ATOM 2518 C THR W 71 -23.525 -7.574 5.679 1.00 33.78 C ATOM 2519 O THR W 71 -24.713 -7.563 5.356 1.00 36.87 O ATOM 2520 CB THR W 71 -22.638 -9.878 6.093 1.00 27.96 C ATOM 2521 OG1 THR W 71 -22.066 -9.564 7.350 1.00 29.95 O ATOM 2522 CG2 THR W 71 -21.905 -11.083 5.545 1.00 25.06 C ATOM 0 H THR W 71 -20.730 -8.082 5.936 1.00 24.45 H new ATOM 0 HA THR W 71 -22.925 -8.962 4.167 1.00 29.82 H new ATOM 0 HB THR W 71 -23.695 -10.128 6.189 1.00 27.96 H new ATOM 0 HG1 THR W 71 -22.107 -10.350 7.934 1.00 29.95 H new ATOM 0 HG21 THR W 71 -21.978 -11.907 6.254 1.00 25.06 H new ATOM 0 HG22 THR W 71 -22.352 -11.380 4.596 1.00 25.06 H new ATOM 0 HG23 THR W 71 -20.856 -10.831 5.389 1.00 25.06 H new ATOM 2530 N GLU W 72 -22.986 -6.651 6.471 1.00 32.57 N ATOM 2531 CA GLU W 72 -23.774 -5.549 7.019 1.00 30.55 C ATOM 2532 C GLU W 72 -22.998 -4.238 6.879 1.00 29.68 C ATOM 2533 O GLU W 72 -21.796 -4.198 7.136 1.00 24.96 O ATOM 2534 CB GLU W 72 -24.109 -5.809 8.491 1.00 30.80 C ATOM 2535 CG GLU W 72 -25.243 -4.945 9.016 1.00 39.83 C ATOM 2536 CD GLU W 72 -25.826 -5.471 10.314 1.00 45.91 C ATOM 2537 OE1 GLU W 72 -25.071 -5.583 11.302 1.00 47.19 O ATOM 2538 OE2 GLU W 72 -27.039 -5.771 10.341 1.00 42.53 O ATOM 0 H GLU W 72 -22.005 -6.644 6.749 1.00 32.57 H new ATOM 0 HA GLU W 72 -24.708 -5.474 6.461 1.00 30.55 H new ATOM 0 HB2 GLU W 72 -24.375 -6.859 8.615 1.00 30.80 H new ATOM 0 HB3 GLU W 72 -23.219 -5.632 9.095 1.00 30.80 H new ATOM 0 HG2 GLU W 72 -24.879 -3.929 9.171 1.00 39.83 H new ATOM 0 HG3 GLU W 72 -26.031 -4.890 8.264 1.00 39.83 H new ATOM 2545 N GLU W 73 -23.680 -3.178 6.447 1.00 28.69 N ATOM 2546 CA GLU W 73 -23.032 -1.879 6.248 1.00 24.67 C ATOM 2547 C GLU W 73 -23.597 -0.806 7.177 1.00 28.33 C ATOM 2548 O GLU W 73 -24.509 -1.061 7.963 1.00 25.96 O ATOM 2549 CB GLU W 73 -23.196 -1.438 4.794 1.00 25.59 C ATOM 2550 CG GLU W 73 -22.460 -2.329 3.808 1.00 33.70 C ATOM 2551 CD GLU W 73 -22.997 -2.206 2.396 1.00 38.93 C ATOM 2552 OE1 GLU W 73 -22.610 -1.249 1.694 1.00 42.77 O ATOM 2553 OE2 GLU W 73 -23.805 -3.069 1.991 1.00 43.37 O ATOM 0 H GLU W 73 -24.676 -3.191 6.229 1.00 28.69 H new ATOM 0 HA GLU W 73 -21.975 -1.999 6.486 1.00 24.67 H new ATOM 0 HB2 GLU W 73 -24.256 -1.428 4.542 1.00 25.59 H new ATOM 0 HB3 GLU W 73 -22.834 -0.415 4.689 1.00 25.59 H new ATOM 0 HG2 GLU W 73 -21.401 -2.072 3.813 1.00 33.70 H new ATOM 0 HG3 GLU W 73 -22.538 -3.366 4.133 1.00 33.70 H new ATOM 2560 N SER W 74 -23.042 0.403 7.067 1.00 26.58 N ATOM 2561 CA SER W 74 -23.478 1.534 7.884 1.00 25.81 C ATOM 2562 C SER W 74 -22.765 2.814 7.458 1.00 25.60 C ATOM 2563 O SER W 74 -21.610 2.779 7.039 1.00 27.32 O ATOM 2564 CB SER W 74 -23.212 1.256 9.365 1.00 24.33 C ATOM 2565 OG SER W 74 -24.257 0.487 9.936 1.00 30.19 O ATOM 0 H SER W 74 -22.287 0.623 6.417 1.00 26.58 H new ATOM 0 HA SER W 74 -24.550 1.667 7.736 1.00 25.81 H new ATOM 0 HB2 SER W 74 -22.265 0.727 9.474 1.00 24.33 H new ATOM 0 HB3 SER W 74 -23.114 2.199 9.903 1.00 24.33 H new ATOM 0 HG SER W 74 -24.780 0.066 9.223 1.00 30.19 H new ATOM 2571 N ASN W 75 -23.458 3.946 7.565 1.00 26.09 N ATOM 2572 CA ASN W 75 -22.882 5.234 7.185 1.00 23.96 C ATOM 2573 C ASN W 75 -22.316 5.965 8.399 1.00 25.00 C ATOM 2574 O ASN W 75 -22.751 5.744 9.530 1.00 22.54 O ATOM 2575 CB ASN W 75 -23.936 6.104 6.497 1.00 29.90 C ATOM 2576 CG ASN W 75 -25.178 6.288 7.349 1.00 35.30 C ATOM 2577 OD1 ASN W 75 -25.213 7.136 8.241 1.00 40.64 O ATOM 2578 ND2 ASN W 75 -26.207 5.491 7.080 1.00 47.51 N ATOM 0 H ASN W 75 -24.416 3.998 7.911 1.00 26.09 H new ATOM 0 HA ASN W 75 -22.065 5.043 6.490 1.00 23.96 H new ATOM 0 HB2 ASN W 75 -23.506 7.080 6.270 1.00 29.90 H new ATOM 0 HB3 ASN W 75 -24.215 5.649 5.546 1.00 29.90 H new ATOM 0 HD21 ASN W 75 -27.068 5.569 7.622 1.00 47.51 H new ATOM 0 HD22 ASN W 75 -26.136 4.801 6.332 1.00 47.51 H new ATOM 2585 N ILE W 76 -21.341 6.837 8.155 1.00 20.66 N ATOM 2586 CA ILE W 76 -20.709 7.601 9.225 1.00 21.89 C ATOM 2587 C ILE W 76 -20.426 9.037 8.776 1.00 21.21 C ATOM 2588 O ILE W 76 -19.852 9.265 7.712 1.00 20.17 O ATOM 2589 CB ILE W 76 -19.397 6.922 9.691 1.00 19.96 C ATOM 2590 CG1 ILE W 76 -18.794 7.657 10.891 1.00 25.33 C ATOM 2591 CG2 ILE W 76 -18.386 6.843 8.552 1.00 16.90 C ATOM 2592 CD1 ILE W 76 -17.707 6.870 11.597 1.00 22.08 C ATOM 0 H ILE W 76 -20.972 7.032 7.224 1.00 20.66 H new ATOM 0 HA ILE W 76 -21.402 7.629 10.066 1.00 21.89 H new ATOM 0 HB ILE W 76 -19.643 5.906 10.000 1.00 19.96 H new ATOM 0 HG12 ILE W 76 -18.383 8.609 10.555 1.00 25.33 H new ATOM 0 HG13 ILE W 76 -19.587 7.886 11.603 1.00 25.33 H new ATOM 0 HG21 ILE W 76 -17.475 6.362 8.907 1.00 16.90 H new ATOM 0 HG22 ILE W 76 -18.807 6.262 7.732 1.00 16.90 H new ATOM 0 HG23 ILE W 76 -18.153 7.849 8.202 1.00 16.90 H new ATOM 0 HD11 ILE W 76 -17.325 7.450 12.437 1.00 22.08 H new ATOM 0 HD12 ILE W 76 -18.118 5.929 11.963 1.00 22.08 H new ATOM 0 HD13 ILE W 76 -16.896 6.664 10.899 1.00 22.08 H new ATOM 2604 N THR W 77 -20.848 10.004 9.589 1.00 18.94 N ATOM 2605 CA THR W 77 -20.650 11.416 9.274 1.00 18.98 C ATOM 2606 C THR W 77 -19.297 11.903 9.785 1.00 18.83 C ATOM 2607 O THR W 77 -18.836 11.479 10.845 1.00 20.61 O ATOM 2608 CB THR W 77 -21.771 12.258 9.885 1.00 18.29 C ATOM 2609 OG1 THR W 77 -23.009 11.574 9.807 1.00 23.14 O ATOM 2610 CG2 THR W 77 -21.949 13.601 9.210 1.00 21.34 C ATOM 0 H THR W 77 -21.330 9.834 10.472 1.00 18.94 H new ATOM 0 HA THR W 77 -20.671 11.527 8.190 1.00 18.98 H new ATOM 0 HB THR W 77 -21.474 12.426 10.920 1.00 18.29 H new ATOM 0 HG1 THR W 77 -23.714 12.127 10.204 1.00 23.14 H new ATOM 0 HG21 THR W 77 -22.760 14.146 9.693 1.00 21.34 H new ATOM 0 HG22 THR W 77 -21.026 14.175 9.293 1.00 21.34 H new ATOM 0 HG23 THR W 77 -22.189 13.450 8.158 1.00 21.34 H new ATOM 2618 N MET W 78 -18.664 12.797 9.027 1.00 18.34 N ATOM 2619 CA MET W 78 -17.363 13.341 9.406 1.00 19.36 C ATOM 2620 C MET W 78 -17.252 14.814 9.017 1.00 19.63 C ATOM 2621 O MET W 78 -18.079 15.330 8.267 1.00 20.18 O ATOM 2622 CB MET W 78 -16.240 12.538 8.746 1.00 22.60 C ATOM 2623 CG MET W 78 -16.079 11.141 9.321 1.00 22.79 C ATOM 2624 SD MET W 78 -14.647 10.270 8.656 1.00 24.24 S ATOM 2625 CE MET W 78 -15.000 8.595 9.186 1.00 21.32 C ATOM 0 H MET W 78 -19.032 13.159 8.147 1.00 18.34 H new ATOM 0 HA MET W 78 -17.266 13.264 10.489 1.00 19.36 H new ATOM 0 HB2 MET W 78 -16.438 12.462 7.677 1.00 22.60 H new ATOM 0 HB3 MET W 78 -15.301 13.080 8.859 1.00 22.60 H new ATOM 0 HG2 MET W 78 -15.986 11.208 10.405 1.00 22.79 H new ATOM 0 HG3 MET W 78 -16.979 10.562 9.113 1.00 22.79 H new ATOM 0 HE1 MET W 78 -14.186 7.938 8.881 1.00 21.32 H new ATOM 0 HE2 MET W 78 -15.100 8.570 10.271 1.00 21.32 H new ATOM 0 HE3 MET W 78 -15.930 8.257 8.728 1.00 21.32 H new ATOM 2635 N GLN W 79 -16.223 15.480 9.535 1.00 17.14 N ATOM 2636 CA GLN W 79 -15.996 16.892 9.247 1.00 17.47 C ATOM 2637 C GLN W 79 -14.824 17.066 8.281 1.00 16.60 C ATOM 2638 O GLN W 79 -13.716 16.610 8.553 1.00 17.39 O ATOM 2639 CB GLN W 79 -15.719 17.657 10.543 1.00 18.57 C ATOM 2640 CG GLN W 79 -16.966 17.911 11.374 1.00 20.10 C ATOM 2641 CD GLN W 79 -16.782 19.039 12.371 1.00 27.29 C ATOM 2642 OE1 GLN W 79 -16.165 20.059 12.063 1.00 22.92 O ATOM 2643 NE2 GLN W 79 -17.316 18.862 13.574 1.00 26.98 N ATOM 0 H GLN W 79 -15.532 15.062 10.158 1.00 17.14 H new ATOM 0 HA GLN W 79 -16.895 17.294 8.779 1.00 17.47 H new ATOM 0 HB2 GLN W 79 -15.001 17.095 11.141 1.00 18.57 H new ATOM 0 HB3 GLN W 79 -15.253 18.612 10.300 1.00 18.57 H new ATOM 0 HG2 GLN W 79 -17.798 18.149 10.711 1.00 20.10 H new ATOM 0 HG3 GLN W 79 -17.235 16.999 11.908 1.00 20.10 H new ATOM 0 HE21 GLN W 79 -17.819 18.001 13.787 1.00 26.98 H new ATOM 0 HE22 GLN W 79 -17.223 19.587 14.285 1.00 26.98 H new ATOM 2652 N ILE W 80 -15.077 17.733 7.156 1.00 16.86 N ATOM 2653 CA ILE W 80 -14.041 17.971 6.153 1.00 13.37 C ATOM 2654 C ILE W 80 -13.970 19.451 5.787 1.00 16.68 C ATOM 2655 O ILE W 80 -14.994 20.129 5.707 1.00 19.51 O ATOM 2656 CB ILE W 80 -14.283 17.155 4.863 1.00 16.37 C ATOM 2657 CG1 ILE W 80 -14.643 15.700 5.190 1.00 16.26 C ATOM 2658 CG2 ILE W 80 -13.054 17.207 3.967 1.00 14.67 C ATOM 2659 CD1 ILE W 80 -13.557 14.957 5.939 1.00 15.20 C ATOM 0 H ILE W 80 -15.991 18.118 6.916 1.00 16.86 H new ATOM 0 HA ILE W 80 -13.100 17.650 6.599 1.00 13.37 H new ATOM 0 HB ILE W 80 -15.125 17.601 4.333 1.00 16.37 H new ATOM 0 HG12 ILE W 80 -15.557 15.686 5.784 1.00 16.26 H new ATOM 0 HG13 ILE W 80 -14.859 15.171 4.262 1.00 16.26 H new ATOM 0 HG21 ILE W 80 -13.239 16.628 3.062 1.00 14.67 H new ATOM 0 HG22 ILE W 80 -12.843 18.242 3.699 1.00 14.67 H new ATOM 0 HG23 ILE W 80 -12.199 16.788 4.498 1.00 14.67 H new ATOM 0 HD11 ILE W 80 -13.884 13.936 6.135 1.00 15.20 H new ATOM 0 HD12 ILE W 80 -12.648 14.938 5.338 1.00 15.20 H new ATOM 0 HD13 ILE W 80 -13.357 15.461 6.884 1.00 15.20 H new ATOM 2671 N MET W 81 -12.754 19.946 5.563 1.00 17.01 N ATOM 2672 CA MET W 81 -12.554 21.344 5.205 1.00 18.54 C ATOM 2673 C MET W 81 -12.509 21.518 3.690 1.00 22.45 C ATOM 2674 O MET W 81 -11.552 21.106 3.035 1.00 19.65 O ATOM 2675 CB MET W 81 -11.263 21.877 5.829 1.00 19.24 C ATOM 2676 CG MET W 81 -11.118 23.388 5.719 1.00 33.86 C ATOM 2677 SD MET W 81 -10.339 24.129 7.167 1.00 44.44 S ATOM 2678 CE MET W 81 -8.717 23.375 7.108 1.00 39.91 C ATOM 0 H MET W 81 -11.895 19.399 5.624 1.00 17.01 H new ATOM 0 HA MET W 81 -13.398 21.914 5.594 1.00 18.54 H new ATOM 0 HB2 MET W 81 -11.232 21.592 6.881 1.00 19.24 H new ATOM 0 HB3 MET W 81 -10.410 21.401 5.344 1.00 19.24 H new ATOM 0 HG2 MET W 81 -10.529 23.627 4.834 1.00 33.86 H new ATOM 0 HG3 MET W 81 -12.103 23.832 5.576 1.00 33.86 H new ATOM 0 HE1 MET W 81 -8.422 23.068 8.111 1.00 39.91 H new ATOM 0 HE2 MET W 81 -8.745 22.502 6.455 1.00 39.91 H new ATOM 0 HE3 MET W 81 -7.995 24.094 6.721 1.00 39.91 H new ATOM 2688 N ARG W 82 -13.551 22.134 3.140 1.00 23.41 N ATOM 2689 CA ARG W 82 -13.634 22.366 1.702 1.00 21.96 C ATOM 2690 C ARG W 82 -13.019 23.714 1.328 1.00 23.10 C ATOM 2691 O ARG W 82 -13.548 24.765 1.688 1.00 23.00 O ATOM 2692 CB ARG W 82 -15.094 22.320 1.240 1.00 19.45 C ATOM 2693 CG ARG W 82 -15.668 20.911 1.151 1.00 19.44 C ATOM 2694 CD ARG W 82 -16.809 20.821 0.141 1.00 20.97 C ATOM 2695 NE ARG W 82 -17.984 20.134 0.684 1.00 25.77 N ATOM 2696 CZ ARG W 82 -18.704 20.568 1.723 1.00 26.79 C ATOM 2697 NH1 ARG W 82 -18.383 21.689 2.358 1.00 20.90 N ATOM 2698 NH2 ARG W 82 -19.758 19.874 2.128 1.00 22.34 N ATOM 0 H ARG W 82 -14.351 22.482 3.669 1.00 23.41 H new ATOM 0 HA ARG W 82 -13.072 21.577 1.202 1.00 21.96 H new ATOM 0 HB2 ARG W 82 -15.702 22.907 1.929 1.00 19.45 H new ATOM 0 HB3 ARG W 82 -15.171 22.796 0.262 1.00 19.45 H new ATOM 0 HG2 ARG W 82 -14.878 20.215 0.869 1.00 19.44 H new ATOM 0 HG3 ARG W 82 -16.028 20.603 2.133 1.00 19.44 H new ATOM 0 HD2 ARG W 82 -17.092 21.826 -0.173 1.00 20.97 H new ATOM 0 HD3 ARG W 82 -16.463 20.294 -0.748 1.00 20.97 H new ATOM 0 HE ARG W 82 -18.273 19.263 0.238 1.00 25.77 H new ATOM 0 HH11 ARG W 82 -17.576 22.234 2.055 1.00 20.90 H new ATOM 0 HH12 ARG W 82 -18.944 22.005 3.149 1.00 20.90 H new ATOM 0 HH21 ARG W 82 -20.017 19.012 1.647 1.00 22.34 H new ATOM 0 HH22 ARG W 82 -20.310 20.201 2.921 1.00 22.34 H new ATOM 2712 N ILE W 83 -11.907 23.674 0.599 1.00 22.68 N ATOM 2713 CA ILE W 83 -11.225 24.891 0.163 1.00 25.57 C ATOM 2714 C ILE W 83 -11.222 24.990 -1.363 1.00 27.41 C ATOM 2715 O ILE W 83 -10.909 24.020 -2.053 1.00 27.82 O ATOM 2716 CB ILE W 83 -9.766 24.943 0.677 1.00 23.78 C ATOM 2717 CG1 ILE W 83 -9.710 24.632 2.175 1.00 24.40 C ATOM 2718 CG2 ILE W 83 -9.148 26.307 0.399 1.00 20.45 C ATOM 2719 CD1 ILE W 83 -8.314 24.325 2.677 1.00 33.21 C ATOM 0 H ILE W 83 -11.457 22.810 0.297 1.00 22.68 H new ATOM 0 HA ILE W 83 -11.773 25.733 0.585 1.00 25.57 H new ATOM 0 HB ILE W 83 -9.191 24.186 0.144 1.00 23.78 H new ATOM 0 HG12 ILE W 83 -10.108 25.482 2.729 1.00 24.40 H new ATOM 0 HG13 ILE W 83 -10.359 23.782 2.386 1.00 24.40 H new ATOM 0 HG21 ILE W 83 -8.122 26.324 0.768 1.00 20.45 H new ATOM 0 HG22 ILE W 83 -9.151 26.496 -0.675 1.00 20.45 H new ATOM 0 HG23 ILE W 83 -9.728 27.079 0.905 1.00 20.45 H new ATOM 0 HD11 ILE W 83 -8.350 24.114 3.746 1.00 33.21 H new ATOM 0 HD12 ILE W 83 -7.920 23.457 2.149 1.00 33.21 H new ATOM 0 HD13 ILE W 83 -7.666 25.183 2.498 1.00 33.21 H new ATOM 2731 N LYS W 84 -11.579 26.163 -1.884 1.00 33.58 N ATOM 2732 CA LYS W 84 -11.623 26.386 -3.335 1.00 36.90 C ATOM 2733 C LYS W 84 -10.623 27.474 -3.748 1.00 38.45 C ATOM 2734 O LYS W 84 -10.591 28.541 -3.135 1.00 33.60 O ATOM 2735 CB LYS W 84 -13.042 26.796 -3.760 1.00 37.94 C ATOM 2736 CG LYS W 84 -13.435 26.287 -5.144 1.00 45.74 C ATOM 2737 CD LYS W 84 -13.833 27.412 -6.094 1.00 50.46 C ATOM 2738 CE LYS W 84 -15.245 27.908 -5.819 1.00 53.04 C ATOM 2739 NZ LYS W 84 -16.260 27.165 -6.617 1.00 53.93 N ATOM 0 H LYS W 84 -11.842 26.975 -1.326 1.00 33.58 H new ATOM 0 HA LYS W 84 -11.350 25.456 -3.834 1.00 36.90 H new ATOM 0 HB2 LYS W 84 -13.755 26.419 -3.027 1.00 37.94 H new ATOM 0 HB3 LYS W 84 -13.116 27.883 -3.747 1.00 37.94 H new ATOM 0 HG2 LYS W 84 -12.600 25.733 -5.573 1.00 45.74 H new ATOM 0 HG3 LYS W 84 -14.266 25.588 -5.047 1.00 45.74 H new ATOM 0 HD2 LYS W 84 -13.131 28.239 -5.993 1.00 50.46 H new ATOM 0 HD3 LYS W 84 -13.765 27.060 -7.123 1.00 50.46 H new ATOM 0 HE2 LYS W 84 -15.468 27.800 -4.757 1.00 53.04 H new ATOM 0 HE3 LYS W 84 -15.308 28.971 -6.051 1.00 53.04 H new ATOM 0 HZ1 LYS W 84 -17.209 27.533 -6.401 1.00 53.93 H new ATOM 0 HZ2 LYS W 84 -16.063 27.289 -7.631 1.00 53.93 H new ATOM 0 HZ3 LYS W 84 -16.218 26.154 -6.377 1.00 53.93 H new ATOM 2753 N PRO W 85 -9.784 27.240 -4.788 1.00 43.34 N ATOM 2754 CA PRO W 85 -8.801 28.240 -5.233 1.00 49.23 C ATOM 2755 C PRO W 85 -9.465 29.552 -5.660 1.00 50.07 C ATOM 2756 O PRO W 85 -10.526 29.549 -6.281 1.00 50.09 O ATOM 2757 CB PRO W 85 -8.104 27.571 -6.427 1.00 49.65 C ATOM 2758 CG PRO W 85 -8.355 26.113 -6.252 1.00 49.39 C ATOM 2759 CD PRO W 85 -9.711 26.009 -5.608 1.00 47.57 C ATOM 0 HA PRO W 85 -8.113 28.514 -4.433 1.00 49.23 H new ATOM 0 HB2 PRO W 85 -8.509 27.931 -7.373 1.00 49.65 H new ATOM 0 HB3 PRO W 85 -7.036 27.790 -6.434 1.00 49.65 H new ATOM 0 HG2 PRO W 85 -8.336 25.594 -7.211 1.00 49.39 H new ATOM 0 HG3 PRO W 85 -7.588 25.656 -5.627 1.00 49.39 H new ATOM 0 HD2 PRO W 85 -10.509 25.970 -6.350 1.00 47.57 H new ATOM 0 HD3 PRO W 85 -9.800 25.111 -4.997 1.00 47.57 H new ATOM 2767 N HIS W 86 -8.818 30.674 -5.321 1.00 50.38 N ATOM 2768 CA HIS W 86 -9.313 32.024 -5.656 1.00 52.70 C ATOM 2769 C HIS W 86 -10.505 32.468 -4.783 1.00 55.24 C ATOM 2770 O HIS W 86 -10.998 33.582 -4.955 1.00 59.65 O ATOM 2771 CB HIS W 86 -9.699 32.131 -7.145 1.00 53.99 C ATOM 2772 CG HIS W 86 -9.403 33.470 -7.752 1.00 57.38 C ATOM 2773 ND1 HIS W 86 -9.048 33.636 -9.075 1.00 63.31 N ATOM 2774 CD2 HIS W 86 -9.413 34.713 -7.212 1.00 59.30 C ATOM 2775 CE1 HIS W 86 -8.852 34.919 -9.321 1.00 63.47 C ATOM 2776 NE2 HIS W 86 -9.067 35.593 -8.208 1.00 59.78 N ATOM 0 H HIS W 86 -7.937 30.676 -4.807 1.00 50.38 H new ATOM 0 HA HIS W 86 -8.482 32.697 -5.447 1.00 52.70 H new ATOM 0 HB2 HIS W 86 -9.166 31.363 -7.705 1.00 53.99 H new ATOM 0 HB3 HIS W 86 -10.763 31.922 -7.251 1.00 53.99 H new ATOM 0 HD2 HIS W 86 -9.649 34.965 -6.189 1.00 59.30 H new ATOM 0 HE1 HIS W 86 -8.565 35.344 -10.272 1.00 63.47 H new ATOM 0 HE2 HIS W 86 -8.989 36.605 -8.104 1.00 59.78 H new ATOM 2784 N GLN W 87 -10.973 31.613 -3.865 1.00 52.97 N ATOM 2785 CA GLN W 87 -12.107 31.959 -3.006 1.00 54.30 C ATOM 2786 C GLN W 87 -11.714 31.834 -1.508 1.00 56.88 C ATOM 2787 O GLN W 87 -10.818 32.557 -1.065 1.00 57.20 O ATOM 2788 CB GLN W 87 -13.311 31.092 -3.401 1.00 57.18 C ATOM 2789 CG GLN W 87 -14.635 31.587 -2.845 1.00 56.63 C ATOM 2790 CD GLN W 87 -15.822 31.156 -3.686 1.00 61.37 C ATOM 2791 OE1 GLN W 87 -16.762 30.540 -3.184 1.00 60.02 O ATOM 2792 NE2 GLN W 87 -15.788 31.482 -4.975 1.00 64.60 N ATOM 0 H GLN W 87 -10.586 30.684 -3.700 1.00 52.97 H new ATOM 0 HA GLN W 87 -12.395 33.001 -3.148 1.00 54.30 H new ATOM 0 HB2 GLN W 87 -13.377 31.053 -4.488 1.00 57.18 H new ATOM 0 HB3 GLN W 87 -13.141 30.072 -3.055 1.00 57.18 H new ATOM 0 HG2 GLN W 87 -14.760 31.213 -1.829 1.00 56.63 H new ATOM 0 HG3 GLN W 87 -14.614 32.675 -2.784 1.00 56.63 H new ATOM 0 HE21 GLN W 87 -14.989 31.993 -5.351 1.00 64.60 H new ATOM 0 HE22 GLN W 87 -16.561 31.221 -5.588 1.00 64.60 H new ATOM 2801 N GLY W 88 -12.349 30.939 -0.713 1.00 56.29 N ATOM 2802 CA GLY W 88 -11.984 30.807 0.696 1.00 52.06 C ATOM 2803 C GLY W 88 -12.182 29.393 1.219 1.00 49.02 C ATOM 2804 O GLY W 88 -12.389 28.461 0.443 1.00 44.62 O ATOM 0 H GLY W 88 -13.096 30.318 -1.024 1.00 56.29 H new ATOM 0 HA2 GLY W 88 -10.941 31.096 0.826 1.00 52.06 H new ATOM 0 HA3 GLY W 88 -12.583 31.498 1.289 1.00 52.06 H new ATOM 2808 N GLN W 89 -12.121 29.234 2.541 1.00 46.52 N ATOM 2809 CA GLN W 89 -12.297 27.925 3.166 1.00 44.06 C ATOM 2810 C GLN W 89 -13.711 27.775 3.722 1.00 41.43 C ATOM 2811 O GLN W 89 -14.432 28.760 3.881 1.00 45.63 O ATOM 2812 CB GLN W 89 -11.272 27.733 4.287 1.00 45.45 C ATOM 2813 CG GLN W 89 -9.843 28.032 3.858 1.00 52.04 C ATOM 2814 CD GLN W 89 -9.068 28.833 4.888 1.00 53.84 C ATOM 2815 OE1 GLN W 89 -8.063 28.365 5.428 1.00 49.86 O ATOM 2816 NE2 GLN W 89 -9.526 30.049 5.164 1.00 49.38 N ATOM 0 H GLN W 89 -11.951 29.995 3.199 1.00 46.52 H new ATOM 0 HA GLN W 89 -12.142 27.160 2.405 1.00 44.06 H new ATOM 0 HB2 GLN W 89 -11.535 28.380 5.124 1.00 45.45 H new ATOM 0 HB3 GLN W 89 -11.328 26.706 4.648 1.00 45.45 H new ATOM 0 HG2 GLN W 89 -9.322 27.093 3.670 1.00 52.04 H new ATOM 0 HG3 GLN W 89 -9.860 28.581 2.917 1.00 52.04 H new ATOM 0 HE21 GLN W 89 -10.361 30.398 4.694 1.00 49.38 H new ATOM 0 HE22 GLN W 89 -9.042 30.634 5.846 1.00 49.38 H new ATOM 2825 N HIS W 90 -14.103 26.538 4.011 1.00 33.72 N ATOM 2826 CA HIS W 90 -15.434 26.264 4.547 1.00 28.93 C ATOM 2827 C HIS W 90 -15.545 24.816 5.021 1.00 26.51 C ATOM 2828 O HIS W 90 -15.252 23.885 4.271 1.00 24.88 O ATOM 2829 CB HIS W 90 -16.497 26.545 3.486 1.00 28.94 C ATOM 2830 CG HIS W 90 -17.893 26.540 4.025 1.00 31.98 C ATOM 2831 ND1 HIS W 90 -18.396 27.548 4.819 1.00 39.86 N ATOM 2832 CD2 HIS W 90 -18.895 25.640 3.882 1.00 31.78 C ATOM 2833 CE1 HIS W 90 -19.648 27.270 5.142 1.00 36.42 C ATOM 2834 NE2 HIS W 90 -19.974 26.118 4.586 1.00 32.71 N ATOM 0 H HIS W 90 -13.520 25.711 3.884 1.00 33.72 H new ATOM 0 HA HIS W 90 -15.597 26.920 5.402 1.00 28.93 H new ATOM 0 HB2 HIS W 90 -16.296 27.514 3.029 1.00 28.94 H new ATOM 0 HB3 HIS W 90 -16.418 25.798 2.697 1.00 28.94 H new ATOM 0 HD2 HIS W 90 -18.854 24.719 3.320 1.00 31.78 H new ATOM 0 HE1 HIS W 90 -20.293 27.881 5.756 1.00 36.42 H new ATOM 0 HE2 HIS W 90 -20.880 25.657 4.666 1.00 32.71 H new ATOM 2842 N ILE W 91 -15.972 24.634 6.269 1.00 26.43 N ATOM 2843 CA ILE W 91 -16.124 23.299 6.840 1.00 26.29 C ATOM 2844 C ILE W 91 -17.466 22.692 6.438 1.00 28.47 C ATOM 2845 O ILE W 91 -18.489 23.377 6.405 1.00 29.83 O ATOM 2846 CB ILE W 91 -16.018 23.316 8.382 1.00 24.72 C ATOM 2847 CG1 ILE W 91 -14.791 24.116 8.828 1.00 26.12 C ATOM 2848 CG2 ILE W 91 -15.952 21.896 8.930 1.00 26.60 C ATOM 2849 CD1 ILE W 91 -13.482 23.542 8.330 1.00 28.12 C ATOM 0 H ILE W 91 -16.218 25.394 6.903 1.00 26.43 H new ATOM 0 HA ILE W 91 -15.310 22.691 6.445 1.00 26.29 H new ATOM 0 HB ILE W 91 -16.910 23.799 8.780 1.00 24.72 H new ATOM 0 HG12 ILE W 91 -14.887 25.142 8.473 1.00 26.12 H new ATOM 0 HG13 ILE W 91 -14.770 24.157 9.917 1.00 26.12 H new ATOM 0 HG21 ILE W 91 -15.878 21.929 10.017 1.00 26.60 H new ATOM 0 HG22 ILE W 91 -16.853 21.353 8.644 1.00 26.60 H new ATOM 0 HG23 ILE W 91 -15.078 21.389 8.522 1.00 26.60 H new ATOM 0 HD11 ILE W 91 -12.656 24.159 8.684 1.00 28.12 H new ATOM 0 HD12 ILE W 91 -13.363 22.526 8.707 1.00 28.12 H new ATOM 0 HD13 ILE W 91 -13.483 23.527 7.240 1.00 28.12 H new ATOM 2861 N GLY W 92 -17.457 21.396 6.130 1.00 28.15 N ATOM 2862 CA GLY W 92 -18.678 20.714 5.729 1.00 26.38 C ATOM 2863 C GLY W 92 -18.761 19.294 6.262 1.00 26.49 C ATOM 2864 O GLY W 92 -17.747 18.694 6.618 1.00 23.99 O ATOM 0 H GLY W 92 -16.625 20.806 6.151 1.00 28.15 H new ATOM 0 HA2 GLY W 92 -19.539 21.281 6.083 1.00 26.38 H new ATOM 0 HA3 GLY W 92 -18.736 20.693 4.641 1.00 26.38 H new ATOM 2868 N GLU W 93 -19.975 18.755 6.312 1.00 22.23 N ATOM 2869 CA GLU W 93 -20.192 17.397 6.797 1.00 24.56 C ATOM 2870 C GLU W 93 -20.273 16.418 5.630 1.00 29.07 C ATOM 2871 O GLU W 93 -20.956 16.678 4.639 1.00 33.67 O ATOM 2872 CB GLU W 93 -21.477 17.329 7.628 1.00 23.18 C ATOM 2873 CG GLU W 93 -21.470 18.258 8.832 1.00 24.32 C ATOM 2874 CD GLU W 93 -22.772 18.221 9.607 1.00 30.54 C ATOM 2875 OE1 GLU W 93 -23.694 18.984 9.252 1.00 32.27 O ATOM 2876 OE2 GLU W 93 -22.867 17.429 10.568 1.00 31.81 O ATOM 0 H GLU W 93 -20.825 19.239 6.022 1.00 22.23 H new ATOM 0 HA GLU W 93 -19.348 17.119 7.428 1.00 24.56 H new ATOM 0 HB2 GLU W 93 -22.326 17.579 6.991 1.00 23.18 H new ATOM 0 HB3 GLU W 93 -21.625 16.305 7.970 1.00 23.18 H new ATOM 0 HG2 GLU W 93 -20.650 17.981 9.494 1.00 24.32 H new ATOM 0 HG3 GLU W 93 -21.280 19.278 8.498 1.00 24.32 H new ATOM 2883 N MET W 94 -19.570 15.298 5.751 1.00 22.65 N ATOM 2884 CA MET W 94 -19.557 14.282 4.702 1.00 20.50 C ATOM 2885 C MET W 94 -19.782 12.894 5.290 1.00 22.39 C ATOM 2886 O MET W 94 -19.102 12.492 6.233 1.00 21.42 O ATOM 2887 CB MET W 94 -18.228 14.317 3.947 1.00 19.69 C ATOM 2888 CG MET W 94 -18.028 15.582 3.131 1.00 19.76 C ATOM 2889 SD MET W 94 -18.865 15.520 1.536 1.00 22.72 S ATOM 2890 CE MET W 94 -17.513 15.046 0.462 1.00 17.39 C ATOM 0 H MET W 94 -19.000 15.069 6.566 1.00 22.65 H new ATOM 0 HA MET W 94 -20.368 14.501 4.007 1.00 20.50 H new ATOM 0 HB2 MET W 94 -17.411 14.222 4.662 1.00 19.69 H new ATOM 0 HB3 MET W 94 -18.173 13.454 3.284 1.00 19.69 H new ATOM 0 HG2 MET W 94 -18.397 16.437 3.697 1.00 19.76 H new ATOM 0 HG3 MET W 94 -16.962 15.742 2.971 1.00 19.76 H new ATOM 0 HE1 MET W 94 -17.866 15.001 -0.568 1.00 17.39 H new ATOM 0 HE2 MET W 94 -16.712 15.781 0.540 1.00 17.39 H new ATOM 0 HE3 MET W 94 -17.137 14.067 0.760 1.00 17.39 H new ATOM 2900 N SER W 95 -20.736 12.167 4.721 1.00 18.84 N ATOM 2901 CA SER W 95 -21.050 10.821 5.183 1.00 20.81 C ATOM 2902 C SER W 95 -20.342 9.778 4.325 1.00 17.57 C ATOM 2903 O SER W 95 -20.202 9.950 3.115 1.00 15.74 O ATOM 2904 CB SER W 95 -22.562 10.588 5.150 1.00 20.52 C ATOM 2905 OG SER W 95 -23.088 10.840 3.858 1.00 26.22 O ATOM 0 H SER W 95 -21.306 12.488 3.938 1.00 18.84 H new ATOM 0 HA SER W 95 -20.699 10.721 6.210 1.00 20.81 H new ATOM 0 HB2 SER W 95 -22.781 9.561 5.442 1.00 20.52 H new ATOM 0 HB3 SER W 95 -23.049 11.237 5.878 1.00 20.52 H new ATOM 0 HG SER W 95 -24.055 10.683 3.862 1.00 26.22 H new ATOM 2911 N PHE W 96 -19.896 8.699 4.960 1.00 17.49 N ATOM 2912 CA PHE W 96 -19.201 7.627 4.257 1.00 17.05 C ATOM 2913 C PHE W 96 -19.733 6.266 4.690 1.00 16.36 C ATOM 2914 O PHE W 96 -20.183 6.097 5.823 1.00 18.73 O ATOM 2915 CB PHE W 96 -17.695 7.707 4.520 1.00 15.81 C ATOM 2916 CG PHE W 96 -17.065 8.985 4.038 1.00 14.77 C ATOM 2917 CD1 PHE W 96 -17.033 10.106 4.852 1.00 12.92 C ATOM 2918 CD2 PHE W 96 -16.507 9.064 2.771 1.00 14.42 C ATOM 2919 CE1 PHE W 96 -16.454 11.283 4.411 1.00 17.01 C ATOM 2920 CE2 PHE W 96 -15.927 10.237 2.326 1.00 15.66 C ATOM 2921 CZ PHE W 96 -15.901 11.348 3.147 1.00 17.82 C ATOM 0 H PHE W 96 -20.004 8.544 5.962 1.00 17.49 H new ATOM 0 HA PHE W 96 -19.381 7.747 3.189 1.00 17.05 H new ATOM 0 HB2 PHE W 96 -17.516 7.605 5.590 1.00 15.81 H new ATOM 0 HB3 PHE W 96 -17.205 6.864 4.033 1.00 15.81 H new ATOM 0 HD1 PHE W 96 -17.464 10.061 5.841 1.00 12.92 H new ATOM 0 HD2 PHE W 96 -16.526 8.199 2.125 1.00 14.42 H new ATOM 0 HE1 PHE W 96 -16.435 12.150 5.055 1.00 17.01 H new ATOM 0 HE2 PHE W 96 -15.495 10.285 1.338 1.00 15.66 H new ATOM 0 HZ PHE W 96 -15.449 12.266 2.801 1.00 17.82 H new ATOM 2931 N LEU W 97 -19.680 5.299 3.781 1.00 17.21 N ATOM 2932 CA LEU W 97 -20.161 3.951 4.065 1.00 21.04 C ATOM 2933 C LEU W 97 -19.032 3.069 4.588 1.00 21.44 C ATOM 2934 O LEU W 97 -17.933 3.059 4.032 1.00 20.67 O ATOM 2935 CB LEU W 97 -20.766 3.330 2.803 1.00 23.77 C ATOM 2936 CG LEU W 97 -21.542 2.029 3.034 1.00 30.52 C ATOM 2937 CD1 LEU W 97 -22.719 1.920 2.076 1.00 31.43 C ATOM 2938 CD2 LEU W 97 -20.625 0.825 2.883 1.00 32.15 C ATOM 0 H LEU W 97 -19.308 5.423 2.839 1.00 17.21 H new ATOM 0 HA LEU W 97 -20.930 4.019 4.835 1.00 21.04 H new ATOM 0 HB2 LEU W 97 -21.434 4.058 2.342 1.00 23.77 H new ATOM 0 HB3 LEU W 97 -19.964 3.136 2.090 1.00 23.77 H new ATOM 0 HG LEU W 97 -21.931 2.045 4.052 1.00 30.52 H new ATOM 0 HD11 LEU W 97 -23.253 0.988 2.261 1.00 31.43 H new ATOM 0 HD12 LEU W 97 -23.394 2.762 2.231 1.00 31.43 H new ATOM 0 HD13 LEU W 97 -22.354 1.932 1.049 1.00 31.43 H new ATOM 0 HD21 LEU W 97 -21.194 -0.089 3.051 1.00 32.15 H new ATOM 0 HD22 LEU W 97 -20.205 0.812 1.877 1.00 32.15 H new ATOM 0 HD23 LEU W 97 -19.818 0.889 3.613 1.00 32.15 H new ATOM 2950 N GLN W 98 -19.307 2.326 5.660 1.00 22.03 N ATOM 2951 CA GLN W 98 -18.318 1.434 6.261 1.00 24.15 C ATOM 2952 C GLN W 98 -18.857 0.007 6.327 1.00 24.42 C ATOM 2953 O GLN W 98 -20.036 -0.232 6.058 1.00 26.42 O ATOM 2954 CB GLN W 98 -17.955 1.907 7.673 1.00 24.63 C ATOM 2955 CG GLN W 98 -17.679 3.397 7.772 1.00 32.63 C ATOM 2956 CD GLN W 98 -17.403 3.846 9.195 1.00 35.97 C ATOM 2957 OE1 GLN W 98 -16.330 4.371 9.495 1.00 25.15 O ATOM 2958 NE2 GLN W 98 -18.371 3.639 10.082 1.00 33.17 N ATOM 0 H GLN W 98 -20.212 2.325 6.131 1.00 22.03 H new ATOM 0 HA GLN W 98 -17.424 1.452 5.638 1.00 24.15 H new ATOM 0 HB2 GLN W 98 -18.770 1.653 8.351 1.00 24.63 H new ATOM 0 HB3 GLN W 98 -17.075 1.361 8.013 1.00 24.63 H new ATOM 0 HG2 GLN W 98 -16.824 3.647 7.144 1.00 32.63 H new ATOM 0 HG3 GLN W 98 -18.534 3.948 7.380 1.00 32.63 H new ATOM 0 HE21 GLN W 98 -19.245 3.201 9.790 1.00 33.17 H new ATOM 0 HE22 GLN W 98 -18.240 3.919 11.054 1.00 33.17 H new ATOM 2967 N HIS W 99 -17.989 -0.935 6.688 1.00 21.69 N ATOM 2968 CA HIS W 99 -18.373 -2.342 6.791 1.00 20.66 C ATOM 2969 C HIS W 99 -18.441 -2.793 8.252 1.00 23.67 C ATOM 2970 O HIS W 99 -17.470 -2.672 8.998 1.00 23.66 O ATOM 2971 CB HIS W 99 -17.381 -3.213 6.017 1.00 18.52 C ATOM 2972 CG HIS W 99 -17.340 -2.913 4.548 1.00 20.12 C ATOM 2973 ND1 HIS W 99 -18.021 -2.004 3.807 1.00 20.31 N flip ATOM 2974 CD2 HIS W 99 -16.522 -3.586 3.664 1.00 21.83 C flip ATOM 2975 CE1 HIS W 99 -17.602 -2.143 2.507 1.00 21.73 C flip ATOM 2976 NE2 HIS W 99 -16.698 -3.102 2.447 1.00 23.22 N flip ATOM 0 H HIS W 99 -17.012 -0.749 6.915 1.00 21.69 H new ATOM 0 HA HIS W 99 -19.367 -2.455 6.357 1.00 20.66 H new ATOM 0 HB2 HIS W 99 -16.384 -3.074 6.436 1.00 18.52 H new ATOM 0 HB3 HIS W 99 -17.643 -4.262 6.158 1.00 18.52 H new ATOM 0 HD2 HIS W 99 -15.843 -4.384 3.926 1.00 21.83 H new ATOM 0 HE1 HIS W 99 -17.955 -1.561 1.669 1.00 21.73 H new ATOM 0 HE2 HIS W 99 -16.217 -3.416 1.604 1.00 23.22 H new ATOM 2984 N ASN W 100 -19.604 -3.306 8.646 1.00 22.19 N ATOM 2985 CA ASN W 100 -19.816 -3.771 10.014 1.00 24.91 C ATOM 2986 C ASN W 100 -19.395 -5.231 10.177 1.00 20.68 C ATOM 2987 O ASN W 100 -18.637 -5.567 11.084 1.00 21.82 O ATOM 2988 CB ASN W 100 -21.279 -3.598 10.415 1.00 27.12 C ATOM 2989 CG ASN W 100 -21.579 -2.196 10.907 1.00 30.85 C ATOM 2990 OD1 ASN W 100 -20.737 -1.555 11.537 1.00 31.66 O ATOM 2991 ND2 ASN W 100 -22.781 -1.708 10.622 1.00 28.04 N ATOM 0 H ASN W 100 -20.415 -3.410 8.036 1.00 22.19 H new ATOM 0 HA ASN W 100 -19.193 -3.164 10.671 1.00 24.91 H new ATOM 0 HB2 ASN W 100 -21.917 -3.825 9.561 1.00 27.12 H new ATOM 0 HB3 ASN W 100 -21.526 -4.316 11.197 1.00 27.12 H new ATOM 0 HD21 ASN W 100 -23.036 -0.769 10.928 1.00 28.04 H new ATOM 0 HD22 ASN W 100 -23.449 -2.272 10.098 1.00 28.04 H new ATOM 2998 N LYS W 101 -19.899 -6.093 9.296 1.00 22.62 N ATOM 2999 CA LYS W 101 -19.580 -7.519 9.345 1.00 23.38 C ATOM 3000 C LYS W 101 -18.999 -7.997 8.014 1.00 19.79 C ATOM 3001 O LYS W 101 -19.324 -7.458 6.958 1.00 16.77 O ATOM 3002 CB LYS W 101 -20.837 -8.323 9.688 1.00 30.55 C ATOM 3003 CG LYS W 101 -21.351 -8.067 11.095 1.00 42.23 C ATOM 3004 CD LYS W 101 -22.323 -9.148 11.542 1.00 48.06 C ATOM 3005 CE LYS W 101 -23.667 -9.015 10.844 1.00 52.96 C ATOM 3006 NZ LYS W 101 -24.473 -10.264 10.948 1.00 56.30 N ATOM 0 H LYS W 101 -20.530 -5.829 8.539 1.00 22.62 H new ATOM 0 HA LYS W 101 -18.829 -7.676 10.120 1.00 23.38 H new ATOM 0 HB2 LYS W 101 -21.622 -8.079 8.972 1.00 30.55 H new ATOM 0 HB3 LYS W 101 -20.622 -9.386 9.575 1.00 30.55 H new ATOM 0 HG2 LYS W 101 -20.510 -8.024 11.788 1.00 42.23 H new ATOM 0 HG3 LYS W 101 -21.844 -7.096 11.132 1.00 42.23 H new ATOM 0 HD2 LYS W 101 -21.898 -10.130 11.331 1.00 48.06 H new ATOM 0 HD3 LYS W 101 -22.465 -9.087 12.621 1.00 48.06 H new ATOM 0 HE2 LYS W 101 -24.223 -8.186 11.282 1.00 52.96 H new ATOM 0 HE3 LYS W 101 -23.508 -8.772 9.793 1.00 52.96 H new ATOM 0 HZ1 LYS W 101 -25.382 -10.132 10.460 1.00 56.30 H new ATOM 0 HZ2 LYS W 101 -23.954 -11.050 10.507 1.00 56.30 H new ATOM 0 HZ3 LYS W 101 -24.647 -10.483 11.950 1.00 56.30 H new ATOM 3020 N CYS W 102 -18.139 -9.015 8.078 1.00 19.97 N ATOM 3021 CA CYS W 102 -17.511 -9.573 6.880 1.00 21.94 C ATOM 3022 C CYS W 102 -17.729 -11.083 6.811 1.00 21.50 C ATOM 3023 O CYS W 102 -17.855 -11.747 7.839 1.00 20.73 O ATOM 3024 CB CYS W 102 -16.007 -9.268 6.862 1.00 21.39 C ATOM 3025 SG CYS W 102 -15.573 -7.556 7.325 1.00 25.96 S ATOM 0 H CYS W 102 -17.862 -9.470 8.948 1.00 19.97 H new ATOM 0 HA CYS W 102 -17.976 -9.107 6.011 1.00 21.94 H new ATOM 0 HB2 CYS W 102 -15.502 -9.954 7.543 1.00 21.39 H new ATOM 0 HB3 CYS W 102 -15.621 -9.469 5.863 1.00 21.39 H new ATOM 3030 N GLU W 103 -17.775 -11.620 5.593 1.00 21.16 N ATOM 3031 CA GLU W 103 -17.980 -13.052 5.394 1.00 26.88 C ATOM 3032 C GLU W 103 -17.493 -13.487 4.011 1.00 22.55 C ATOM 3033 O GLU W 103 -17.414 -12.676 3.090 1.00 20.64 O ATOM 3034 CB GLU W 103 -19.459 -13.402 5.562 1.00 31.25 C ATOM 3035 CG GLU W 103 -19.693 -14.828 6.033 1.00 51.91 C ATOM 3036 CD GLU W 103 -19.813 -15.809 4.884 1.00 57.46 C ATOM 3037 OE1 GLU W 103 -20.471 -15.467 3.878 1.00 62.00 O ATOM 3038 OE2 GLU W 103 -19.251 -16.918 4.989 1.00 61.52 O ATOM 0 H GLU W 103 -17.673 -11.085 4.731 1.00 21.16 H new ATOM 0 HA GLU W 103 -17.399 -13.586 6.146 1.00 26.88 H new ATOM 0 HB2 GLU W 103 -19.909 -12.713 6.277 1.00 31.25 H new ATOM 0 HB3 GLU W 103 -19.970 -13.253 4.611 1.00 31.25 H new ATOM 0 HG2 GLU W 103 -18.871 -15.132 6.681 1.00 51.91 H new ATOM 0 HG3 GLU W 103 -20.602 -14.864 6.633 1.00 51.91 H new ATOM 3045 N CYS W 104 -17.164 -14.771 3.877 1.00 20.03 N ATOM 3046 CA CYS W 104 -16.681 -15.312 2.606 1.00 16.85 C ATOM 3047 C CYS W 104 -17.789 -16.045 1.853 1.00 22.04 C ATOM 3048 O CYS W 104 -18.613 -16.730 2.458 1.00 25.48 O ATOM 3049 CB CYS W 104 -15.506 -16.265 2.847 1.00 19.82 C ATOM 3050 SG CYS W 104 -13.931 -15.430 3.222 1.00 20.91 S ATOM 0 H CYS W 104 -17.223 -15.455 4.631 1.00 20.03 H new ATOM 0 HA CYS W 104 -16.350 -14.472 1.995 1.00 16.85 H new ATOM 0 HB2 CYS W 104 -15.757 -16.931 3.673 1.00 19.82 H new ATOM 0 HB3 CYS W 104 -15.372 -16.889 1.963 1.00 19.82 H new ATOM 3055 N ARG W 105 -17.790 -15.909 0.526 1.00 23.34 N ATOM 3056 CA ARG W 105 -18.786 -16.579 -0.318 1.00 22.90 C ATOM 3057 C ARG W 105 -18.181 -16.956 -1.677 1.00 23.83 C ATOM 3058 O ARG W 105 -17.193 -16.353 -2.099 1.00 23.21 O ATOM 3059 CB ARG W 105 -20.037 -15.700 -0.521 1.00 22.81 C ATOM 3060 CG ARG W 105 -19.752 -14.207 -0.658 1.00 35.78 C ATOM 3061 CD ARG W 105 -20.817 -13.469 -1.486 1.00 44.62 C ATOM 3062 NE ARG W 105 -22.199 -13.885 -1.184 1.00 51.18 N ATOM 3063 CZ ARG W 105 -23.286 -13.140 -1.434 1.00 53.25 C ATOM 3064 NH1 ARG W 105 -23.172 -11.920 -1.973 1.00 52.58 N ATOM 3065 NH2 ARG W 105 -24.494 -13.625 -1.139 1.00 55.43 N ATOM 0 H ARG W 105 -17.115 -15.343 0.012 1.00 23.34 H new ATOM 0 HA ARG W 105 -19.091 -17.490 0.197 1.00 22.90 H new ATOM 0 HB2 ARG W 105 -20.562 -16.039 -1.414 1.00 22.81 H new ATOM 0 HB3 ARG W 105 -20.711 -15.851 0.322 1.00 22.81 H new ATOM 0 HG2 ARG W 105 -19.696 -13.760 0.335 1.00 35.78 H new ATOM 0 HG3 ARG W 105 -18.776 -14.070 -1.124 1.00 35.78 H new ATOM 0 HD2 ARG W 105 -20.723 -12.398 -1.309 1.00 44.62 H new ATOM 0 HD3 ARG W 105 -20.620 -13.636 -2.545 1.00 44.62 H new ATOM 0 HE ARG W 105 -22.338 -14.801 -0.756 1.00 51.18 H new ATOM 0 HH11 ARG W 105 -22.250 -11.546 -2.199 1.00 52.58 H new ATOM 0 HH12 ARG W 105 -24.007 -11.364 -2.158 1.00 52.58 H new ATOM 0 HH21 ARG W 105 -24.584 -14.554 -0.727 1.00 55.43 H new ATOM 0 HH22 ARG W 105 -25.327 -13.067 -1.325 1.00 55.43 H new ATOM 3079 N PRO W 106 -18.749 -17.964 -2.389 1.00 25.83 N ATOM 3080 CA PRO W 106 -18.221 -18.389 -3.695 1.00 26.92 C ATOM 3081 C PRO W 106 -18.209 -17.259 -4.725 1.00 26.85 C ATOM 3082 O PRO W 106 -19.181 -16.517 -4.860 1.00 28.45 O ATOM 3083 CB PRO W 106 -19.178 -19.507 -4.135 1.00 28.04 C ATOM 3084 CG PRO W 106 -19.817 -19.982 -2.876 1.00 24.21 C ATOM 3085 CD PRO W 106 -19.925 -18.772 -1.991 1.00 22.68 C ATOM 0 HA PRO W 106 -17.182 -18.709 -3.618 1.00 26.92 H new ATOM 0 HB2 PRO W 106 -19.922 -19.136 -4.840 1.00 28.04 H new ATOM 0 HB3 PRO W 106 -18.641 -20.313 -4.634 1.00 28.04 H new ATOM 0 HG2 PRO W 106 -20.799 -20.411 -3.074 1.00 24.21 H new ATOM 0 HG3 PRO W 106 -19.218 -20.760 -2.403 1.00 24.21 H new ATOM 0 HD2 PRO W 106 -20.859 -18.234 -2.155 1.00 22.68 H new ATOM 0 HD3 PRO W 106 -19.892 -19.040 -0.935 1.00 22.68 H new ATOM 3093 N LYS W 107 -17.098 -17.142 -5.449 1.00 29.68 N ATOM 3094 CA LYS W 107 -16.952 -16.108 -6.470 1.00 32.65 C ATOM 3095 C LYS W 107 -17.802 -16.432 -7.694 1.00 38.51 C ATOM 3096 O LYS W 107 -18.458 -17.471 -7.749 1.00 38.65 O ATOM 3097 CB LYS W 107 -15.485 -15.971 -6.884 1.00 25.64 C ATOM 3098 CG LYS W 107 -14.532 -15.814 -5.710 1.00 20.56 C ATOM 3099 CD LYS W 107 -13.109 -16.188 -6.092 1.00 20.20 C ATOM 3100 CE LYS W 107 -12.335 -14.986 -6.611 1.00 24.31 C ATOM 3101 NZ LYS W 107 -12.524 -14.793 -8.075 1.00 31.36 N ATOM 0 H LYS W 107 -16.286 -17.751 -5.347 1.00 29.68 H new ATOM 0 HA LYS W 107 -17.294 -15.164 -6.045 1.00 32.65 H new ATOM 0 HB2 LYS W 107 -15.196 -16.849 -7.461 1.00 25.64 H new ATOM 0 HB3 LYS W 107 -15.381 -15.109 -7.543 1.00 25.64 H new ATOM 0 HG2 LYS W 107 -14.556 -14.783 -5.356 1.00 20.56 H new ATOM 0 HG3 LYS W 107 -14.865 -16.442 -4.884 1.00 20.56 H new ATOM 0 HD2 LYS W 107 -12.596 -16.605 -5.225 1.00 20.20 H new ATOM 0 HD3 LYS W 107 -13.129 -16.966 -6.855 1.00 20.20 H new ATOM 0 HE2 LYS W 107 -12.659 -14.090 -6.082 1.00 24.31 H new ATOM 0 HE3 LYS W 107 -11.274 -15.117 -6.396 1.00 24.31 H new ATOM 0 HZ1 LYS W 107 -11.597 -14.786 -8.547 1.00 31.36 H new ATOM 0 HZ2 LYS W 107 -13.101 -15.570 -8.456 1.00 31.36 H new ATOM 0 HZ3 LYS W 107 -13.006 -13.888 -8.246 1.00 31.36 H new ATOM 3115 N LYS W 108 -17.781 -15.536 -8.675 1.00 42.95 N ATOM 3116 CA LYS W 108 -18.545 -15.726 -9.902 1.00 48.50 C ATOM 3117 C LYS W 108 -17.750 -15.251 -11.114 1.00 53.85 C ATOM 3118 O LYS W 108 -17.400 -16.043 -11.989 1.00 53.50 O ATOM 3119 CB LYS W 108 -19.874 -14.973 -9.822 1.00 46.84 C ATOM 3120 CG LYS W 108 -20.827 -15.535 -8.780 1.00 45.80 C ATOM 3121 CD LYS W 108 -21.533 -16.785 -9.283 1.00 42.29 C ATOM 3122 CE LYS W 108 -22.891 -16.458 -9.884 1.00 51.17 C ATOM 3123 NZ LYS W 108 -23.974 -16.496 -8.862 1.00 53.13 N ATOM 0 H LYS W 108 -17.243 -14.670 -8.644 1.00 42.95 H new ATOM 0 HA LYS W 108 -18.746 -16.791 -10.015 1.00 48.50 H new ATOM 0 HB2 LYS W 108 -19.676 -13.926 -9.594 1.00 46.84 H new ATOM 0 HB3 LYS W 108 -20.358 -15.001 -10.798 1.00 46.84 H new ATOM 0 HG2 LYS W 108 -20.275 -15.770 -7.870 1.00 45.80 H new ATOM 0 HG3 LYS W 108 -21.567 -14.779 -8.518 1.00 45.80 H new ATOM 0 HD2 LYS W 108 -20.912 -17.278 -10.032 1.00 42.29 H new ATOM 0 HD3 LYS W 108 -21.659 -17.489 -8.460 1.00 42.29 H new ATOM 0 HE2 LYS W 108 -22.857 -15.469 -10.341 1.00 51.17 H new ATOM 0 HE3 LYS W 108 -23.117 -17.169 -10.679 1.00 51.17 H new ATOM 0 HZ1 LYS W 108 -24.884 -16.268 -9.311 1.00 53.13 H new ATOM 0 HZ2 LYS W 108 -24.023 -17.447 -8.444 1.00 53.13 H new ATOM 0 HZ3 LYS W 108 -23.772 -15.800 -8.116 1.00 53.13 H new ATOM 3137 N ASP W 109 -17.463 -13.954 -11.154 1.00 62.09 N ATOM 3138 CA ASP W 109 -16.705 -13.370 -12.255 1.00 68.83 C ATOM 3139 C ASP W 109 -15.730 -12.314 -11.740 1.00 68.45 C ATOM 3140 O ASP W 109 -14.604 -12.238 -12.275 1.00 0.00 O ATOM 3141 CB ASP W 109 -17.650 -12.748 -13.283 1.00 78.52 C ATOM 3142 CG ASP W 109 -18.375 -13.794 -14.108 1.00 89.01 C ATOM 3143 OD1 ASP W 109 -17.707 -14.500 -14.893 1.00 93.54 O ATOM 3144 OD2 ASP W 109 -19.611 -13.906 -13.970 1.00 95.68 O ATOM 3145 OXT ASP W 109 -16.103 -11.573 -10.808 1.00 0.00 O ATOM 0 H ASP W 109 -17.744 -13.287 -10.436 1.00 62.09 H new ATOM 0 HA ASP W 109 -16.135 -14.167 -12.734 1.00 68.83 H new ATOM 0 HB2 ASP W 109 -18.381 -12.123 -12.770 1.00 78.52 H new ATOM 0 HB3 ASP W 109 -17.082 -12.095 -13.946 1.00 78.52 H new TER 3150 ASP W 109 ATOM 3151 N GLY X 1 -24.102 -32.755 17.375 1.00 0.00 N ATOM 3152 CA GLY X 1 -24.389 -32.382 15.963 1.00 0.00 C ATOM 3153 C GLY X 1 -23.464 -33.073 14.980 1.00 0.00 C ATOM 3154 O GLY X 1 -23.916 -33.830 14.120 1.00 0.00 O ATOM 0 H1 GLY X 1 -24.761 -32.256 18.007 1.00 0.00 H new ATOM 0 H2 GLY X 1 -24.219 -33.782 17.493 1.00 0.00 H new ATOM 0 H3 GLY X 1 -23.125 -32.488 17.613 1.00 0.00 H new ATOM 0 HA2 GLY X 1 -25.422 -32.637 15.726 1.00 0.00 H new ATOM 0 HA3 GLY X 1 -24.293 -31.302 15.849 1.00 0.00 H new ATOM 3160 N GLY X 2 -22.165 -32.811 15.110 1.00 0.00 N ATOM 3161 CA GLY X 2 -21.187 -33.417 14.224 1.00 0.00 C ATOM 3162 C GLY X 2 -20.005 -32.504 13.956 1.00 0.00 C ATOM 3163 O GLY X 2 -20.119 -31.283 14.065 1.00 0.00 O ATOM 0 H GLY X 2 -21.773 -32.188 15.816 1.00 0.00 H new ATOM 0 HA2 GLY X 2 -20.831 -34.349 14.664 1.00 0.00 H new ATOM 0 HA3 GLY X 2 -21.666 -33.673 13.279 1.00 0.00 H new ATOM 3167 N ASN X 3 -18.869 -33.097 13.604 1.00 0.00 N ATOM 3168 CA ASN X 3 -17.663 -32.329 13.319 1.00 0.00 C ATOM 3169 C ASN X 3 -17.601 -31.947 11.839 1.00 0.00 C ATOM 3170 O ASN X 3 -16.724 -32.395 11.100 1.00 0.00 O ATOM 3171 CB ASN X 3 -16.422 -33.130 13.728 1.00 0.00 C ATOM 3172 CG ASN X 3 -16.045 -32.904 15.182 1.00 0.00 C ATOM 3173 OD1 ASN X 3 -15.187 -32.079 15.492 1.00 0.00 O ATOM 3174 ND2 ASN X 3 -16.686 -33.642 16.085 1.00 0.00 N ATOM 0 H ASN X 3 -18.759 -34.107 13.509 1.00 0.00 H new ATOM 0 HA ASN X 3 -17.690 -31.408 13.901 1.00 0.00 H new ATOM 0 HB2 ASN X 3 -16.607 -34.192 13.563 1.00 0.00 H new ATOM 0 HB3 ASN X 3 -15.584 -32.849 13.090 1.00 0.00 H new ATOM 0 HD21 ASN X 3 -16.472 -33.534 17.076 1.00 0.00 H new ATOM 0 HD22 ASN X 3 -17.391 -34.315 15.786 1.00 0.00 H new ATOM 3181 N GLU X 4 -18.545 -31.110 11.416 1.00 0.00 N ATOM 3182 CA GLU X 4 -18.608 -30.657 10.032 1.00 0.00 C ATOM 3183 C GLU X 4 -17.763 -29.401 9.844 1.00 0.00 C ATOM 3184 O GLU X 4 -17.896 -28.435 10.595 1.00 0.00 O ATOM 3185 CB GLU X 4 -20.060 -30.382 9.631 1.00 0.00 C ATOM 3186 CG GLU X 4 -20.313 -30.496 8.137 1.00 0.00 C ATOM 3187 CD GLU X 4 -20.046 -31.887 7.595 1.00 0.00 C ATOM 3188 OE1 GLU X 4 -18.862 -32.226 7.383 1.00 0.00 O ATOM 3189 OE2 GLU X 4 -21.021 -32.636 7.377 1.00 0.00 O ATOM 0 H GLU X 4 -19.278 -30.732 12.015 1.00 0.00 H new ATOM 0 HA GLU X 4 -18.209 -31.443 9.391 1.00 0.00 H new ATOM 0 HB2 GLU X 4 -20.711 -31.081 10.155 1.00 0.00 H new ATOM 0 HB3 GLU X 4 -20.336 -29.381 9.962 1.00 0.00 H new ATOM 0 HG2 GLU X 4 -21.347 -30.223 7.927 1.00 0.00 H new ATOM 0 HG3 GLU X 4 -19.681 -29.780 7.611 1.00 0.00 H new ATOM 3196 N CYS X 5 -16.886 -29.424 8.845 1.00 0.00 N ATOM 3197 CA CYS X 5 -16.010 -28.290 8.570 1.00 0.00 C ATOM 3198 C CYS X 5 -16.595 -27.382 7.492 1.00 0.00 C ATOM 3199 O CYS X 5 -16.739 -27.784 6.338 1.00 0.00 O ATOM 3200 CB CYS X 5 -14.628 -28.783 8.135 1.00 0.00 C ATOM 3201 SG CYS X 5 -13.634 -29.500 9.483 1.00 0.00 S ATOM 0 H CYS X 5 -16.763 -30.215 8.213 1.00 0.00 H new ATOM 0 HA CYS X 5 -15.917 -27.712 9.489 1.00 0.00 H new ATOM 0 HB2 CYS X 5 -14.751 -29.531 7.352 1.00 0.00 H new ATOM 0 HB3 CYS X 5 -14.079 -27.950 7.697 1.00 0.00 H new ATOM 3206 N ASP X 6 -16.915 -26.147 7.874 1.00 0.00 N ATOM 3207 CA ASP X 6 -17.466 -25.175 6.937 1.00 0.00 C ATOM 3208 C ASP X 6 -16.338 -24.474 6.185 1.00 0.00 C ATOM 3209 O ASP X 6 -15.383 -23.994 6.794 1.00 0.00 O ATOM 3210 CB ASP X 6 -18.328 -24.148 7.677 1.00 0.00 C ATOM 3211 CG ASP X 6 -19.733 -24.656 7.938 1.00 0.00 C ATOM 3212 OD1 ASP X 6 -20.436 -24.985 6.960 1.00 0.00 O ATOM 3213 OD2 ASP X 6 -20.129 -24.727 9.121 1.00 0.00 O ATOM 0 H ASP X 6 -16.802 -25.798 8.826 1.00 0.00 H new ATOM 0 HA ASP X 6 -18.095 -25.701 6.219 1.00 0.00 H new ATOM 0 HB2 ASP X 6 -17.854 -23.895 8.625 1.00 0.00 H new ATOM 0 HB3 ASP X 6 -18.379 -23.230 7.091 1.00 0.00 H new ATOM 3218 N ILE X 7 -16.446 -24.435 4.861 1.00 0.00 N ATOM 3219 CA ILE X 7 -15.424 -23.811 4.025 1.00 0.00 C ATOM 3220 C ILE X 7 -15.267 -22.321 4.341 1.00 0.00 C ATOM 3221 O ILE X 7 -14.151 -21.796 4.361 1.00 0.00 O ATOM 3222 CB ILE X 7 -15.739 -24.007 2.520 1.00 0.00 C ATOM 3223 CG1 ILE X 7 -14.579 -23.511 1.653 1.00 0.00 C ATOM 3224 CG2 ILE X 7 -17.037 -23.307 2.132 1.00 0.00 C ATOM 3225 CD1 ILE X 7 -14.363 -24.342 0.406 1.00 0.00 C ATOM 0 H ILE X 7 -17.231 -24.828 4.342 1.00 0.00 H new ATOM 0 HA ILE X 7 -14.480 -24.306 4.252 1.00 0.00 H new ATOM 0 HB ILE X 7 -15.868 -25.075 2.344 1.00 0.00 H new ATOM 0 HG12 ILE X 7 -14.767 -22.477 1.364 1.00 0.00 H new ATOM 0 HG13 ILE X 7 -13.664 -23.514 2.246 1.00 0.00 H new ATOM 0 HG21 ILE X 7 -17.231 -23.462 1.071 1.00 0.00 H new ATOM 0 HG22 ILE X 7 -17.861 -23.718 2.716 1.00 0.00 H new ATOM 0 HG23 ILE X 7 -16.948 -22.239 2.332 1.00 0.00 H new ATOM 0 HD11 ILE X 7 -13.526 -23.935 -0.162 1.00 0.00 H new ATOM 0 HD12 ILE X 7 -14.144 -25.372 0.688 1.00 0.00 H new ATOM 0 HD13 ILE X 7 -15.264 -24.318 -0.208 1.00 0.00 H new ATOM 3237 N ALA X 8 -16.383 -21.642 4.594 1.00 0.00 N ATOM 3238 CA ALA X 8 -16.359 -20.214 4.910 1.00 0.00 C ATOM 3239 C ALA X 8 -16.429 -19.973 6.421 1.00 0.00 C ATOM 3240 O ALA X 8 -17.026 -18.997 6.876 1.00 0.00 O ATOM 3241 CB ALA X 8 -17.510 -19.506 4.206 1.00 0.00 C ATOM 0 H ALA X 8 -17.315 -22.056 4.587 1.00 0.00 H new ATOM 0 HA ALA X 8 -15.414 -19.804 4.553 1.00 0.00 H new ATOM 0 HB1 ALA X 8 -17.485 -18.443 4.447 1.00 0.00 H new ATOM 0 HB2 ALA X 8 -17.413 -19.637 3.128 1.00 0.00 H new ATOM 0 HB3 ALA X 8 -18.457 -19.931 4.539 1.00 0.00 H new ATOM 3247 N ARG X 9 -15.811 -20.866 7.192 1.00 0.00 N ATOM 3248 CA ARG X 9 -15.802 -20.747 8.648 1.00 0.00 C ATOM 3249 C ARG X 9 -14.417 -21.076 9.214 1.00 0.00 C ATOM 3250 O ARG X 9 -13.581 -21.659 8.523 1.00 0.00 O ATOM 3251 CB ARG X 9 -16.862 -21.668 9.262 1.00 0.00 C ATOM 3252 CG ARG X 9 -17.510 -21.100 10.524 1.00 0.00 C ATOM 3253 CD ARG X 9 -19.031 -20.991 10.407 1.00 0.00 C ATOM 3254 NE ARG X 9 -19.453 -19.707 9.843 1.00 0.00 N ATOM 3255 CZ ARG X 9 -20.642 -19.484 9.275 1.00 0.00 C ATOM 3256 NH1 ARG X 9 -21.553 -20.448 9.186 1.00 0.00 N ATOM 3257 NH2 ARG X 9 -20.923 -18.283 8.794 1.00 0.00 N ATOM 0 H ARG X 9 -15.311 -21.679 6.833 1.00 0.00 H new ATOM 0 HA ARG X 9 -16.039 -19.715 8.908 1.00 0.00 H new ATOM 0 HB2 ARG X 9 -17.638 -21.860 8.521 1.00 0.00 H new ATOM 0 HB3 ARG X 9 -16.403 -22.628 9.500 1.00 0.00 H new ATOM 0 HG2 ARG X 9 -17.259 -21.735 11.374 1.00 0.00 H new ATOM 0 HG3 ARG X 9 -17.094 -20.114 10.729 1.00 0.00 H new ATOM 0 HD2 ARG X 9 -19.404 -21.801 9.780 1.00 0.00 H new ATOM 0 HD3 ARG X 9 -19.479 -21.118 11.392 1.00 0.00 H new ATOM 0 HE ARG X 9 -18.794 -18.930 9.887 1.00 0.00 H new ATOM 0 HH11 ARG X 9 -21.350 -21.377 9.555 1.00 0.00 H new ATOM 0 HH12 ARG X 9 -22.455 -20.259 8.749 1.00 0.00 H new ATOM 0 HH21 ARG X 9 -20.234 -17.534 8.858 1.00 0.00 H new ATOM 0 HH22 ARG X 9 -21.829 -18.107 8.359 1.00 0.00 H new ATOM 3271 N MET X 10 -14.182 -20.684 10.466 1.00 0.00 N ATOM 3272 CA MET X 10 -12.894 -20.919 11.132 1.00 0.00 C ATOM 3273 C MET X 10 -12.495 -22.394 11.113 1.00 0.00 C ATOM 3274 O MET X 10 -12.917 -23.176 11.966 1.00 0.00 O ATOM 3275 CB MET X 10 -12.951 -20.416 12.576 1.00 0.00 C ATOM 3276 CG MET X 10 -11.598 -19.996 13.129 1.00 0.00 C ATOM 3277 SD MET X 10 -11.727 -18.680 14.354 1.00 0.00 S ATOM 3278 CE MET X 10 -11.066 -17.293 13.431 1.00 0.00 C ATOM 0 H MET X 10 -14.868 -20.200 11.045 1.00 0.00 H new ATOM 0 HA MET X 10 -12.136 -20.366 10.577 1.00 0.00 H new ATOM 0 HB2 MET X 10 -13.635 -19.569 12.630 1.00 0.00 H new ATOM 0 HB3 MET X 10 -13.365 -21.201 13.209 1.00 0.00 H new ATOM 0 HG2 MET X 10 -11.110 -20.860 13.580 1.00 0.00 H new ATOM 0 HG3 MET X 10 -10.962 -19.663 12.309 1.00 0.00 H new ATOM 0 HE1 MET X 10 -10.997 -16.422 14.083 1.00 0.00 H new ATOM 0 HE2 MET X 10 -10.074 -17.545 13.056 1.00 0.00 H new ATOM 0 HE3 MET X 10 -11.725 -17.067 12.592 1.00 0.00 H new ATOM 3288 N TRP X 11 -11.664 -22.761 10.138 1.00 0.00 N ATOM 3289 CA TRP X 11 -11.188 -24.136 9.997 1.00 0.00 C ATOM 3290 C TRP X 11 -10.218 -24.508 11.131 1.00 0.00 C ATOM 3291 O TRP X 11 -9.008 -24.328 11.004 1.00 0.00 O ATOM 3292 CB TRP X 11 -10.492 -24.315 8.638 1.00 0.00 C ATOM 3293 CG TRP X 11 -11.410 -24.726 7.515 1.00 0.00 C ATOM 3294 CD1 TRP X 11 -12.727 -25.091 7.599 1.00 0.00 C ATOM 3295 CD2 TRP X 11 -11.061 -24.812 6.129 1.00 0.00 C ATOM 3296 NE1 TRP X 11 -13.211 -25.399 6.347 1.00 0.00 N ATOM 3297 CE2 TRP X 11 -12.208 -25.235 5.430 1.00 0.00 C ATOM 3298 CE3 TRP X 11 -9.888 -24.571 5.413 1.00 0.00 C ATOM 3299 CZ2 TRP X 11 -12.212 -25.422 4.050 1.00 0.00 C ATOM 3300 CZ3 TRP X 11 -9.892 -24.758 4.044 1.00 0.00 C ATOM 3301 CH2 TRP X 11 -11.048 -25.178 3.375 1.00 0.00 C ATOM 0 H TRP X 11 -11.305 -22.120 9.430 1.00 0.00 H new ATOM 0 HA TRP X 11 -12.051 -24.799 10.054 1.00 0.00 H new ATOM 0 HB2 TRP X 11 -10.004 -23.378 8.368 1.00 0.00 H new ATOM 0 HB3 TRP X 11 -9.707 -25.064 8.742 1.00 0.00 H new ATOM 0 HD1 TRP X 11 -13.302 -25.131 8.513 1.00 0.00 H new ATOM 0 HE1 TRP X 11 -14.163 -25.700 6.137 1.00 0.00 H new ATOM 0 HE3 TRP X 11 -8.992 -24.244 5.920 1.00 0.00 H new ATOM 0 HZ2 TRP X 11 -13.102 -25.748 3.532 1.00 0.00 H new ATOM 0 HZ3 TRP X 11 -8.988 -24.577 3.481 1.00 0.00 H new ATOM 0 HH2 TRP X 11 -11.020 -25.312 2.304 1.00 0.00 H new ATOM 3312 N GLU X 12 -10.760 -25.031 12.233 1.00 0.00 N ATOM 3313 CA GLU X 12 -9.941 -25.433 13.383 1.00 0.00 C ATOM 3314 C GLU X 12 -8.877 -26.464 12.977 1.00 0.00 C ATOM 3315 O GLU X 12 -8.678 -26.718 11.793 1.00 0.00 O ATOM 3316 CB GLU X 12 -10.835 -25.994 14.491 1.00 0.00 C ATOM 3317 CG GLU X 12 -11.947 -25.043 14.905 1.00 0.00 C ATOM 3318 CD GLU X 12 -12.683 -25.512 16.144 1.00 0.00 C ATOM 3319 OE1 GLU X 12 -12.012 -25.897 17.124 1.00 0.00 O ATOM 3320 OE2 GLU X 12 -13.932 -25.493 16.134 1.00 0.00 O ATOM 0 H GLU X 12 -11.761 -25.187 12.355 1.00 0.00 H new ATOM 0 HA GLU X 12 -9.422 -24.551 13.757 1.00 0.00 H new ATOM 0 HB2 GLU X 12 -11.275 -26.932 14.153 1.00 0.00 H new ATOM 0 HB3 GLU X 12 -10.221 -26.225 15.362 1.00 0.00 H new ATOM 0 HG2 GLU X 12 -11.525 -24.055 15.089 1.00 0.00 H new ATOM 0 HG3 GLU X 12 -12.656 -24.939 14.083 1.00 0.00 H new ATOM 3327 N TRP X 13 -8.186 -27.041 13.966 1.00 0.00 N ATOM 3328 CA TRP X 13 -7.134 -28.030 13.703 1.00 0.00 C ATOM 3329 C TRP X 13 -7.637 -29.211 12.860 1.00 0.00 C ATOM 3330 O TRP X 13 -7.049 -29.537 11.825 1.00 0.00 O ATOM 3331 CB TRP X 13 -6.538 -28.529 15.025 1.00 0.00 C ATOM 3332 CG TRP X 13 -5.359 -27.724 15.476 1.00 0.00 C ATOM 3333 CD1 TRP X 13 -5.156 -27.174 16.711 1.00 0.00 C ATOM 3334 CD2 TRP X 13 -4.217 -27.372 14.687 1.00 0.00 C ATOM 3335 NE1 TRP X 13 -3.956 -26.503 16.736 1.00 0.00 N ATOM 3336 CE2 TRP X 13 -3.361 -26.611 15.505 1.00 0.00 C ATOM 3337 CE3 TRP X 13 -3.837 -27.630 13.367 1.00 0.00 C ATOM 3338 CZ2 TRP X 13 -2.148 -26.106 15.044 1.00 0.00 C ATOM 3339 CZ3 TRP X 13 -2.633 -27.129 12.911 1.00 0.00 C ATOM 3340 CH2 TRP X 13 -1.801 -26.374 13.747 1.00 0.00 C ATOM 0 H TRP X 13 -8.336 -26.841 14.955 1.00 0.00 H new ATOM 0 HA TRP X 13 -6.358 -27.533 13.121 1.00 0.00 H new ATOM 0 HB2 TRP X 13 -7.307 -28.501 15.797 1.00 0.00 H new ATOM 0 HB3 TRP X 13 -6.238 -29.571 14.912 1.00 0.00 H new ATOM 0 HD1 TRP X 13 -5.838 -27.255 17.545 1.00 0.00 H new ATOM 0 HE1 TRP X 13 -3.571 -26.006 17.539 1.00 0.00 H new ATOM 0 HE3 TRP X 13 -4.473 -28.211 12.715 1.00 0.00 H new ATOM 0 HZ2 TRP X 13 -1.504 -25.524 15.686 1.00 0.00 H new ATOM 0 HZ3 TRP X 13 -2.328 -27.323 11.893 1.00 0.00 H new ATOM 0 HH2 TRP X 13 -0.866 -25.995 13.361 1.00 0.00 H new ATOM 3351 N GLU X 14 -8.714 -29.859 13.306 1.00 0.00 N ATOM 3352 CA GLU X 14 -9.284 -31.015 12.591 1.00 0.00 C ATOM 3353 C GLU X 14 -9.531 -30.718 11.107 1.00 0.00 C ATOM 3354 O GLU X 14 -9.264 -31.557 10.240 1.00 0.00 O ATOM 3355 CB GLU X 14 -10.593 -31.449 13.250 1.00 0.00 C ATOM 3356 CG GLU X 14 -10.900 -32.930 13.073 1.00 0.00 C ATOM 3357 CD GLU X 14 -10.577 -33.748 14.309 1.00 0.00 C ATOM 3358 OE1 GLU X 14 -11.174 -33.481 15.372 1.00 0.00 O ATOM 3359 OE2 GLU X 14 -9.730 -34.661 14.211 1.00 0.00 O ATOM 0 H GLU X 14 -9.213 -29.607 14.159 1.00 0.00 H new ATOM 0 HA GLU X 14 -8.552 -31.820 12.651 1.00 0.00 H new ATOM 0 HB2 GLU X 14 -10.548 -31.220 14.315 1.00 0.00 H new ATOM 0 HB3 GLU X 14 -11.412 -30.864 12.833 1.00 0.00 H new ATOM 0 HG2 GLU X 14 -11.955 -33.051 12.828 1.00 0.00 H new ATOM 0 HG3 GLU X 14 -10.330 -33.316 12.228 1.00 0.00 H new ATOM 3366 N CYS X 15 -10.043 -29.526 10.819 1.00 0.00 N ATOM 3367 CA CYS X 15 -10.318 -29.124 9.443 1.00 0.00 C ATOM 3368 C CYS X 15 -9.016 -28.963 8.662 1.00 0.00 C ATOM 3369 O CYS X 15 -8.957 -29.260 7.468 1.00 0.00 O ATOM 3370 CB CYS X 15 -11.111 -27.815 9.418 1.00 0.00 C ATOM 3371 SG CYS X 15 -12.701 -27.894 10.303 1.00 0.00 S ATOM 0 H CYS X 15 -10.276 -28.822 11.519 1.00 0.00 H new ATOM 0 HA CYS X 15 -10.914 -29.905 8.970 1.00 0.00 H new ATOM 0 HB2 CYS X 15 -10.502 -27.025 9.857 1.00 0.00 H new ATOM 0 HB3 CYS X 15 -11.298 -27.535 8.381 1.00 0.00 H new ATOM 3376 N PHE X 16 -7.973 -28.499 9.346 1.00 0.00 N ATOM 3377 CA PHE X 16 -6.670 -28.313 8.718 1.00 0.00 C ATOM 3378 C PHE X 16 -6.095 -29.656 8.284 1.00 0.00 C ATOM 3379 O PHE X 16 -5.486 -29.771 7.221 1.00 0.00 O ATOM 3380 CB PHE X 16 -5.706 -27.614 9.680 1.00 0.00 C ATOM 3381 CG PHE X 16 -5.825 -26.117 9.667 1.00 0.00 C ATOM 3382 CD1 PHE X 16 -5.689 -25.406 8.485 1.00 0.00 C ATOM 3383 CD2 PHE X 16 -6.076 -25.419 10.838 1.00 0.00 C ATOM 3384 CE1 PHE X 16 -5.799 -24.030 8.470 1.00 0.00 C ATOM 3385 CE2 PHE X 16 -6.188 -24.042 10.831 1.00 0.00 C ATOM 3386 CZ PHE X 16 -6.049 -23.347 9.645 1.00 0.00 C ATOM 0 H PHE X 16 -8.006 -28.246 10.333 1.00 0.00 H new ATOM 0 HA PHE X 16 -6.799 -27.685 7.837 1.00 0.00 H new ATOM 0 HB2 PHE X 16 -5.889 -27.976 10.692 1.00 0.00 H new ATOM 0 HB3 PHE X 16 -4.684 -27.891 9.422 1.00 0.00 H new ATOM 0 HD1 PHE X 16 -5.494 -25.935 7.564 1.00 0.00 H new ATOM 0 HD2 PHE X 16 -6.185 -25.958 11.767 1.00 0.00 H new ATOM 0 HE1 PHE X 16 -5.690 -23.488 7.542 1.00 0.00 H new ATOM 0 HE2 PHE X 16 -6.384 -23.510 11.750 1.00 0.00 H new ATOM 0 HZ PHE X 16 -6.136 -22.271 9.636 1.00 0.00 H new ATOM 3396 N GLU X 17 -6.304 -30.672 9.113 1.00 0.00 N ATOM 3397 CA GLU X 17 -5.819 -32.015 8.815 1.00 0.00 C ATOM 3398 C GLU X 17 -6.595 -32.633 7.650 1.00 0.00 C ATOM 3399 O GLU X 17 -6.077 -33.497 6.944 1.00 0.00 O ATOM 3400 CB GLU X 17 -5.933 -32.906 10.053 1.00 0.00 C ATOM 3401 CG GLU X 17 -4.935 -32.555 11.145 1.00 0.00 C ATOM 3402 CD GLU X 17 -4.497 -33.765 11.947 1.00 0.00 C ATOM 3403 OE1 GLU X 17 -5.362 -34.396 12.589 1.00 0.00 O ATOM 3404 OE2 GLU X 17 -3.288 -34.080 11.934 1.00 0.00 O ATOM 0 H GLU X 17 -6.806 -30.592 9.997 1.00 0.00 H new ATOM 0 HA GLU X 17 -4.771 -31.940 8.526 1.00 0.00 H new ATOM 0 HB2 GLU X 17 -6.943 -32.828 10.456 1.00 0.00 H new ATOM 0 HB3 GLU X 17 -5.787 -33.945 9.758 1.00 0.00 H new ATOM 0 HG2 GLU X 17 -4.060 -32.086 10.695 1.00 0.00 H new ATOM 0 HG3 GLU X 17 -5.380 -31.821 11.816 1.00 0.00 H new ATOM 3411 N ARG X 18 -7.843 -32.196 7.457 1.00 0.00 N ATOM 3412 CA ARG X 18 -8.682 -32.724 6.382 1.00 0.00 C ATOM 3413 C ARG X 18 -8.578 -31.886 5.101 1.00 0.00 C ATOM 3414 O ARG X 18 -9.485 -31.913 4.268 1.00 0.00 O ATOM 3415 CB ARG X 18 -10.140 -32.781 6.840 1.00 0.00 C ATOM 3416 CG ARG X 18 -10.377 -33.751 7.987 1.00 0.00 C ATOM 3417 CD ARG X 18 -11.486 -33.273 8.917 1.00 0.00 C ATOM 3418 NE ARG X 18 -12.813 -33.459 8.331 1.00 0.00 N ATOM 3419 CZ ARG X 18 -13.947 -33.536 9.034 1.00 0.00 C ATOM 3420 NH1 ARG X 18 -13.941 -33.438 10.362 1.00 0.00 N ATOM 3421 NH2 ARG X 18 -15.099 -33.706 8.403 1.00 0.00 N ATOM 0 H ARG X 18 -8.291 -31.481 8.030 1.00 0.00 H new ATOM 0 HA ARG X 18 -8.323 -33.727 6.152 1.00 0.00 H new ATOM 0 HB2 ARG X 18 -10.456 -31.784 7.147 1.00 0.00 H new ATOM 0 HB3 ARG X 18 -10.767 -33.068 5.996 1.00 0.00 H new ATOM 0 HG2 ARG X 18 -10.637 -34.731 7.586 1.00 0.00 H new ATOM 0 HG3 ARG X 18 -9.455 -33.874 8.555 1.00 0.00 H new ATOM 0 HD2 ARG X 18 -11.427 -33.816 9.860 1.00 0.00 H new ATOM 0 HD3 ARG X 18 -11.336 -32.218 9.147 1.00 0.00 H new ATOM 0 HE ARG X 18 -12.877 -33.535 7.316 1.00 0.00 H new ATOM 0 HH11 ARG X 18 -13.061 -33.302 10.859 1.00 0.00 H new ATOM 0 HH12 ARG X 18 -14.816 -33.499 10.882 1.00 0.00 H new ATOM 0 HH21 ARG X 18 -15.118 -33.777 7.386 1.00 0.00 H new ATOM 0 HH22 ARG X 18 -15.968 -33.765 8.934 1.00 0.00 H new ATOM 3435 N LEU X 19 -7.476 -31.152 4.937 1.00 0.00 N ATOM 3436 CA LEU X 19 -7.280 -30.327 3.746 1.00 0.00 C ATOM 3437 C LEU X 19 -6.869 -31.192 2.557 1.00 0.00 C ATOM 3438 O LEU X 19 -7.195 -32.398 2.566 1.00 0.00 O ATOM 3439 CB LEU X 19 -6.227 -29.243 4.014 1.00 0.00 C ATOM 3440 CG LEU X 19 -6.787 -27.925 4.552 1.00 0.00 C ATOM 3441 CD1 LEU X 19 -5.734 -27.179 5.354 1.00 0.00 C ATOM 3442 CD2 LEU X 19 -7.298 -27.061 3.411 1.00 0.00 C ATOM 3443 OXT LEU X 19 -6.228 -30.660 1.626 1.00 0.00 O ATOM 0 H LEU X 19 -6.711 -31.112 5.610 1.00 0.00 H new ATOM 0 HA LEU X 19 -8.224 -29.839 3.504 1.00 0.00 H new ATOM 0 HB2 LEU X 19 -5.500 -29.631 4.727 1.00 0.00 H new ATOM 0 HB3 LEU X 19 -5.689 -29.042 3.088 1.00 0.00 H new ATOM 0 HG LEU X 19 -7.621 -28.153 5.215 1.00 0.00 H new ATOM 0 HD11 LEU X 19 -6.155 -26.245 5.727 1.00 0.00 H new ATOM 0 HD12 LEU X 19 -5.414 -27.794 6.195 1.00 0.00 H new ATOM 0 HD13 LEU X 19 -4.877 -26.962 4.716 1.00 0.00 H new ATOM 0 HD21 LEU X 19 -7.693 -26.127 3.811 1.00 0.00 H new ATOM 0 HD22 LEU X 19 -6.480 -26.845 2.724 1.00 0.00 H new ATOM 0 HD23 LEU X 19 -8.088 -27.591 2.879 1.00 0.00 H new TER 3455 LEU X 19 ATOM 3456 N GLY Y 1 12.428 29.977 17.307 1.00 0.00 N ATOM 3457 CA GLY Y 1 12.796 29.547 15.931 1.00 0.00 C ATOM 3458 C GLY Y 1 11.927 30.194 14.869 1.00 0.00 C ATOM 3459 O GLY Y 1 12.425 30.919 14.007 1.00 0.00 O ATOM 0 H1 GLY Y 1 13.050 29.508 17.995 1.00 0.00 H new ATOM 0 H2 GLY Y 1 12.536 31.008 17.389 1.00 0.00 H new ATOM 0 H3 GLY Y 1 11.440 29.716 17.500 1.00 0.00 H new ATOM 0 HA2 GLY Y 1 13.840 29.796 15.743 1.00 0.00 H new ATOM 0 HA3 GLY Y 1 12.709 28.463 15.857 1.00 0.00 H new ATOM 3465 N GLY Y 2 10.625 29.929 14.934 1.00 0.00 N ATOM 3466 CA GLY Y 2 9.697 30.494 13.970 1.00 0.00 C ATOM 3467 C GLY Y 2 8.515 29.581 13.703 1.00 0.00 C ATOM 3468 O GLY Y 2 8.606 28.368 13.890 1.00 0.00 O ATOM 0 H GLY Y 2 10.195 29.331 15.640 1.00 0.00 H new ATOM 0 HA2 GLY Y 2 9.335 31.454 14.337 1.00 0.00 H new ATOM 0 HA3 GLY Y 2 10.222 30.688 13.035 1.00 0.00 H new ATOM 3472 N ASN Y 3 7.404 30.166 13.267 1.00 0.00 N ATOM 3473 CA ASN Y 3 6.200 29.398 12.976 1.00 0.00 C ATOM 3474 C ASN Y 3 6.170 28.963 11.509 1.00 0.00 C ATOM 3475 O ASN Y 3 5.317 29.398 10.733 1.00 0.00 O ATOM 3476 CB ASN Y 3 4.955 30.221 13.326 1.00 0.00 C ATOM 3477 CG ASN Y 3 4.524 30.029 14.771 1.00 0.00 C ATOM 3478 OD1 ASN Y 3 3.700 29.167 15.075 1.00 0.00 O ATOM 3479 ND2 ASN Y 3 5.079 30.837 15.670 1.00 0.00 N ATOM 0 H ASN Y 3 7.313 31.169 13.108 1.00 0.00 H new ATOM 0 HA ASN Y 3 6.207 28.497 13.589 1.00 0.00 H new ATOM 0 HB2 ASN Y 3 5.158 31.277 13.147 1.00 0.00 H new ATOM 0 HB3 ASN Y 3 4.137 29.937 12.664 1.00 0.00 H new ATOM 0 HD21 ASN Y 3 4.825 30.755 16.655 1.00 0.00 H new ATOM 0 HD22 ASN Y 3 5.758 31.538 15.375 1.00 0.00 H new ATOM 3486 N GLU Y 4 7.108 28.093 11.139 1.00 0.00 N ATOM 3487 CA GLU Y 4 7.190 27.589 9.772 1.00 0.00 C ATOM 3488 C GLU Y 4 6.292 26.366 9.604 1.00 0.00 C ATOM 3489 O GLU Y 4 6.295 25.463 10.442 1.00 0.00 O ATOM 3490 CB GLU Y 4 8.643 27.245 9.415 1.00 0.00 C ATOM 3491 CG GLU Y 4 9.369 28.363 8.681 1.00 0.00 C ATOM 3492 CD GLU Y 4 8.875 28.553 7.260 1.00 0.00 C ATOM 3493 OE1 GLU Y 4 7.691 28.909 7.084 1.00 0.00 O ATOM 3494 OE2 GLU Y 4 9.675 28.350 6.323 1.00 0.00 O ATOM 0 H GLU Y 4 7.821 27.723 11.768 1.00 0.00 H new ATOM 0 HA GLU Y 4 6.844 28.367 9.092 1.00 0.00 H new ATOM 0 HB2 GLU Y 4 9.187 27.008 10.329 1.00 0.00 H new ATOM 0 HB3 GLU Y 4 8.654 26.348 8.796 1.00 0.00 H new ATOM 0 HG2 GLU Y 4 9.242 29.295 9.232 1.00 0.00 H new ATOM 0 HG3 GLU Y 4 10.437 28.146 8.663 1.00 0.00 H new ATOM 3501 N CYS Y 5 5.511 26.351 8.529 1.00 0.00 N ATOM 3502 CA CYS Y 5 4.593 25.246 8.264 1.00 0.00 C ATOM 3503 C CYS Y 5 5.179 24.267 7.252 1.00 0.00 C ATOM 3504 O CYS Y 5 5.206 24.543 6.052 1.00 0.00 O ATOM 3505 CB CYS Y 5 3.257 25.784 7.748 1.00 0.00 C ATOM 3506 SG CYS Y 5 2.205 26.520 9.040 1.00 0.00 S ATOM 0 H CYS Y 5 5.494 27.091 7.827 1.00 0.00 H new ATOM 0 HA CYS Y 5 4.434 24.713 9.201 1.00 0.00 H new ATOM 0 HB2 CYS Y 5 3.451 26.534 6.981 1.00 0.00 H new ATOM 0 HB3 CYS Y 5 2.711 24.972 7.268 1.00 0.00 H new ATOM 3511 N ASP Y 6 5.634 23.116 7.739 1.00 0.00 N ATOM 3512 CA ASP Y 6 6.202 22.090 6.872 1.00 0.00 C ATOM 3513 C ASP Y 6 5.090 21.377 6.109 1.00 0.00 C ATOM 3514 O ASP Y 6 4.113 20.923 6.704 1.00 0.00 O ATOM 3515 CB ASP Y 6 7.013 21.086 7.693 1.00 0.00 C ATOM 3516 CG ASP Y 6 8.413 21.585 7.995 1.00 0.00 C ATOM 3517 OD1 ASP Y 6 9.162 21.866 7.036 1.00 0.00 O ATOM 3518 OD2 ASP Y 6 8.758 21.696 9.190 1.00 0.00 O ATOM 0 H ASP Y 6 5.620 22.871 8.729 1.00 0.00 H new ATOM 0 HA ASP Y 6 6.870 22.567 6.155 1.00 0.00 H new ATOM 0 HB2 ASP Y 6 6.493 20.882 8.629 1.00 0.00 H new ATOM 0 HB3 ASP Y 6 7.075 20.143 7.150 1.00 0.00 H new ATOM 3523 N ILE Y 7 5.236 21.298 4.790 1.00 0.00 N ATOM 3524 CA ILE Y 7 4.232 20.660 3.944 1.00 0.00 C ATOM 3525 C ILE Y 7 4.056 19.180 4.293 1.00 0.00 C ATOM 3526 O ILE Y 7 2.938 18.659 4.278 1.00 0.00 O ATOM 3527 CB ILE Y 7 4.585 20.816 2.444 1.00 0.00 C ATOM 3528 CG1 ILE Y 7 3.442 20.310 1.565 1.00 0.00 C ATOM 3529 CG2 ILE Y 7 5.885 20.097 2.101 1.00 0.00 C ATOM 3530 CD1 ILE Y 7 3.282 21.091 0.277 1.00 0.00 C ATOM 0 H ILE Y 7 6.040 21.668 4.283 1.00 0.00 H new ATOM 0 HA ILE Y 7 3.286 21.167 4.134 1.00 0.00 H new ATOM 0 HB ILE Y 7 4.730 21.878 2.246 1.00 0.00 H new ATOM 0 HG12 ILE Y 7 3.615 19.261 1.326 1.00 0.00 H new ATOM 0 HG13 ILE Y 7 2.511 20.359 2.129 1.00 0.00 H new ATOM 0 HG21 ILE Y 7 6.104 20.226 1.041 1.00 0.00 H new ATOM 0 HG22 ILE Y 7 6.699 20.515 2.693 1.00 0.00 H new ATOM 0 HG23 ILE Y 7 5.783 19.035 2.323 1.00 0.00 H new ATOM 0 HD11 ILE Y 7 2.453 20.678 -0.298 1.00 0.00 H new ATOM 0 HD12 ILE Y 7 3.078 22.136 0.508 1.00 0.00 H new ATOM 0 HD13 ILE Y 7 4.199 21.021 -0.307 1.00 0.00 H new ATOM 3542 N ALA Y 8 5.158 18.510 4.615 1.00 0.00 N ATOM 3543 CA ALA Y 8 5.119 17.094 4.971 1.00 0.00 C ATOM 3544 C ALA Y 8 5.132 16.898 6.488 1.00 0.00 C ATOM 3545 O ALA Y 8 5.696 15.927 6.992 1.00 0.00 O ATOM 3546 CB ALA Y 8 6.288 16.361 4.327 1.00 0.00 C ATOM 0 H ALA Y 8 6.090 18.924 4.637 1.00 0.00 H new ATOM 0 HA ALA Y 8 4.186 16.676 4.593 1.00 0.00 H new ATOM 0 HB1 ALA Y 8 6.250 15.306 4.598 1.00 0.00 H new ATOM 0 HB2 ALA Y 8 6.226 16.459 3.243 1.00 0.00 H new ATOM 0 HB3 ALA Y 8 7.226 16.792 4.678 1.00 0.00 H new ATOM 3552 N ARG Y 9 4.505 17.823 7.209 1.00 0.00 N ATOM 3553 CA ARG Y 9 4.444 17.748 8.667 1.00 0.00 C ATOM 3554 C ARG Y 9 3.046 18.116 9.175 1.00 0.00 C ATOM 3555 O ARG Y 9 2.260 18.735 8.457 1.00 0.00 O ATOM 3556 CB ARG Y 9 5.505 18.668 9.287 1.00 0.00 C ATOM 3557 CG ARG Y 9 6.089 18.129 10.592 1.00 0.00 C ATOM 3558 CD ARG Y 9 7.613 17.997 10.545 1.00 0.00 C ATOM 3559 NE ARG Y 9 8.039 16.692 10.036 1.00 0.00 N ATOM 3560 CZ ARG Y 9 9.244 16.438 9.511 1.00 0.00 C ATOM 3561 NH1 ARG Y 9 10.166 17.396 9.417 1.00 0.00 N ATOM 3562 NH2 ARG Y 9 9.524 15.213 9.077 1.00 0.00 N ATOM 0 H ARG Y 9 4.032 18.633 6.809 1.00 0.00 H new ATOM 0 HA ARG Y 9 4.651 16.721 8.969 1.00 0.00 H new ATOM 0 HB2 ARG Y 9 6.312 18.814 8.569 1.00 0.00 H new ATOM 0 HB3 ARG Y 9 5.063 19.647 9.473 1.00 0.00 H new ATOM 0 HG2 ARG Y 9 5.811 18.792 11.411 1.00 0.00 H new ATOM 0 HG3 ARG Y 9 5.650 17.155 10.807 1.00 0.00 H new ATOM 0 HD2 ARG Y 9 8.025 18.784 9.913 1.00 0.00 H new ATOM 0 HD3 ARG Y 9 8.020 18.146 11.545 1.00 0.00 H new ATOM 0 HE ARG Y 9 7.371 15.923 10.085 1.00 0.00 H new ATOM 0 HH11 ARG Y 9 9.958 18.338 9.748 1.00 0.00 H new ATOM 0 HH12 ARG Y 9 11.080 17.187 9.015 1.00 0.00 H new ATOM 0 HH21 ARG Y 9 8.823 14.475 9.145 1.00 0.00 H new ATOM 0 HH22 ARG Y 9 10.440 15.011 8.676 1.00 0.00 H new ATOM 3576 N MET Y 10 2.743 17.717 10.413 1.00 0.00 N ATOM 3577 CA MET Y 10 1.437 17.981 11.029 1.00 0.00 C ATOM 3578 C MET Y 10 1.046 19.458 10.959 1.00 0.00 C ATOM 3579 O MET Y 10 1.447 20.262 11.805 1.00 0.00 O ATOM 3580 CB MET Y 10 1.442 17.521 12.487 1.00 0.00 C ATOM 3581 CG MET Y 10 0.070 17.118 13.002 1.00 0.00 C ATOM 3582 SD MET Y 10 0.154 15.853 14.284 1.00 0.00 S ATOM 3583 CE MET Y 10 -0.451 14.427 13.385 1.00 0.00 C ATOM 0 H MET Y 10 3.389 17.206 11.014 1.00 0.00 H new ATOM 0 HA MET Y 10 0.696 17.417 10.462 1.00 0.00 H new ATOM 0 HB2 MET Y 10 2.122 16.676 12.590 1.00 0.00 H new ATOM 0 HB3 MET Y 10 1.834 18.324 13.111 1.00 0.00 H new ATOM 0 HG2 MET Y 10 -0.438 17.997 13.397 1.00 0.00 H new ATOM 0 HG3 MET Y 10 -0.532 16.749 12.171 1.00 0.00 H new ATOM 0 HE1 MET Y 10 -0.493 13.567 14.053 1.00 0.00 H new ATOM 0 HE2 MET Y 10 -1.449 14.636 13.000 1.00 0.00 H new ATOM 0 HE3 MET Y 10 0.220 14.209 12.554 1.00 0.00 H new ATOM 3593 N TRP Y 11 0.256 19.802 9.946 1.00 0.00 N ATOM 3594 CA TRP Y 11 -0.207 21.175 9.750 1.00 0.00 C ATOM 3595 C TRP Y 11 -1.209 21.589 10.837 1.00 0.00 C ATOM 3596 O TRP Y 11 -2.416 21.406 10.681 1.00 0.00 O ATOM 3597 CB TRP Y 11 -0.854 21.316 8.361 1.00 0.00 C ATOM 3598 CG TRP Y 11 0.104 21.672 7.254 1.00 0.00 C ATOM 3599 CD1 TRP Y 11 1.424 22.032 7.367 1.00 0.00 C ATOM 3600 CD2 TRP Y 11 -0.198 21.706 5.852 1.00 0.00 C ATOM 3601 NE1 TRP Y 11 1.950 22.286 6.118 1.00 0.00 N ATOM 3602 CE2 TRP Y 11 0.975 22.092 5.176 1.00 0.00 C ATOM 3603 CE3 TRP Y 11 -1.351 21.446 5.106 1.00 0.00 C ATOM 3604 CZ2 TRP Y 11 1.025 22.223 3.789 1.00 0.00 C ATOM 3605 CZ3 TRP Y 11 -1.299 21.577 3.731 1.00 0.00 C ATOM 3606 CH2 TRP Y 11 -0.118 21.962 3.085 1.00 0.00 C ATOM 0 H TRP Y 11 -0.080 19.144 9.242 1.00 0.00 H new ATOM 0 HA TRP Y 11 0.658 21.835 9.819 1.00 0.00 H new ATOM 0 HB2 TRP Y 11 -1.348 20.378 8.108 1.00 0.00 H new ATOM 0 HB3 TRP Y 11 -1.629 22.080 8.412 1.00 0.00 H new ATOM 0 HD1 TRP Y 11 1.969 22.105 8.296 1.00 0.00 H new ATOM 0 HE1 TRP Y 11 2.910 22.572 5.927 1.00 0.00 H new ATOM 0 HE3 TRP Y 11 -2.266 21.148 5.595 1.00 0.00 H new ATOM 0 HZ2 TRP Y 11 1.934 22.520 3.288 1.00 0.00 H new ATOM 0 HZ3 TRP Y 11 -2.184 21.379 3.145 1.00 0.00 H new ATOM 0 HH2 TRP Y 11 -0.110 22.055 2.009 1.00 0.00 H new ATOM 3617 N GLU Y 12 -0.702 22.147 11.938 1.00 0.00 N ATOM 3618 CA GLU Y 12 -1.552 22.596 13.046 1.00 0.00 C ATOM 3619 C GLU Y 12 -2.597 23.617 12.569 1.00 0.00 C ATOM 3620 O GLU Y 12 -2.757 23.836 11.370 1.00 0.00 O ATOM 3621 CB GLU Y 12 -0.682 23.196 14.156 1.00 0.00 C ATOM 3622 CG GLU Y 12 0.398 22.246 14.655 1.00 0.00 C ATOM 3623 CD GLU Y 12 1.075 22.742 15.917 1.00 0.00 C ATOM 3624 OE1 GLU Y 12 0.358 23.155 16.852 1.00 0.00 O ATOM 3625 OE2 GLU Y 12 2.323 22.717 15.970 1.00 0.00 O ATOM 0 H GLU Y 12 0.295 22.300 12.088 1.00 0.00 H new ATOM 0 HA GLU Y 12 -2.090 21.733 13.439 1.00 0.00 H new ATOM 0 HB2 GLU Y 12 -0.212 24.108 13.787 1.00 0.00 H new ATOM 0 HB3 GLU Y 12 -1.319 23.482 14.993 1.00 0.00 H new ATOM 0 HG2 GLU Y 12 -0.044 21.268 14.845 1.00 0.00 H new ATOM 0 HG3 GLU Y 12 1.147 22.112 13.875 1.00 0.00 H new ATOM 3632 N TRP Y 13 -3.317 24.230 13.513 1.00 0.00 N ATOM 3633 CA TRP Y 13 -4.355 25.214 13.181 1.00 0.00 C ATOM 3634 C TRP Y 13 -3.823 26.369 12.318 1.00 0.00 C ATOM 3635 O TRP Y 13 -4.411 26.691 11.286 1.00 0.00 O ATOM 3636 CB TRP Y 13 -4.992 25.760 14.464 1.00 0.00 C ATOM 3637 CG TRP Y 13 -6.190 24.974 14.900 1.00 0.00 C ATOM 3638 CD1 TRP Y 13 -6.436 24.462 16.141 1.00 0.00 C ATOM 3639 CD2 TRP Y 13 -7.308 24.608 14.084 1.00 0.00 C ATOM 3640 NE1 TRP Y 13 -7.640 23.798 16.146 1.00 0.00 N ATOM 3641 CE2 TRP Y 13 -8.194 23.875 14.893 1.00 0.00 C ATOM 3642 CE3 TRP Y 13 -7.644 24.831 12.746 1.00 0.00 C ATOM 3643 CZ2 TRP Y 13 -9.394 23.362 14.408 1.00 0.00 C ATOM 3644 CZ3 TRP Y 13 -8.834 24.324 12.264 1.00 0.00 C ATOM 3645 CH2 TRP Y 13 -9.698 23.596 13.094 1.00 0.00 C ATOM 0 H TRP Y 13 -3.201 24.063 14.513 1.00 0.00 H new ATOM 0 HA TRP Y 13 -5.109 24.697 12.588 1.00 0.00 H new ATOM 0 HB2 TRP Y 13 -4.250 25.755 15.263 1.00 0.00 H new ATOM 0 HB3 TRP Y 13 -5.283 26.798 14.306 1.00 0.00 H new ATOM 0 HD1 TRP Y 13 -5.781 24.563 16.994 1.00 0.00 H new ATOM 0 HE1 TRP Y 13 -8.054 23.325 16.950 1.00 0.00 H new ATOM 0 HE3 TRP Y 13 -6.984 25.391 12.100 1.00 0.00 H new ATOM 0 HZ2 TRP Y 13 -10.061 22.800 15.045 1.00 0.00 H new ATOM 0 HZ3 TRP Y 13 -9.104 24.491 11.232 1.00 0.00 H new ATOM 0 HH2 TRP Y 13 -10.622 23.212 12.688 1.00 0.00 H new ATOM 3656 N GLU Y 14 -2.727 26.997 12.750 1.00 0.00 N ATOM 3657 CA GLU Y 14 -2.135 28.126 12.017 1.00 0.00 C ATOM 3658 C GLU Y 14 -1.874 27.780 10.548 1.00 0.00 C ATOM 3659 O GLU Y 14 -2.120 28.593 9.652 1.00 0.00 O ATOM 3660 CB GLU Y 14 -0.831 28.567 12.685 1.00 0.00 C ATOM 3661 CG GLU Y 14 -0.506 30.039 12.472 1.00 0.00 C ATOM 3662 CD GLU Y 14 -0.875 30.902 13.663 1.00 0.00 C ATOM 3663 OE1 GLU Y 14 -0.314 30.677 14.756 1.00 0.00 O ATOM 3664 OE2 GLU Y 14 -1.722 31.807 13.502 1.00 0.00 O ATOM 0 H GLU Y 14 -2.229 26.745 13.604 1.00 0.00 H new ATOM 0 HA GLU Y 14 -2.854 28.944 12.045 1.00 0.00 H new ATOM 0 HB2 GLU Y 14 -0.895 28.369 13.755 1.00 0.00 H new ATOM 0 HB3 GLU Y 14 -0.011 27.962 12.297 1.00 0.00 H new ATOM 0 HG2 GLU Y 14 0.560 30.145 12.269 1.00 0.00 H new ATOM 0 HG3 GLU Y 14 -1.036 30.399 11.590 1.00 0.00 H new ATOM 3671 N CYS Y 15 -1.375 26.574 10.308 1.00 0.00 N ATOM 3672 CA CYS Y 15 -1.085 26.122 8.951 1.00 0.00 C ATOM 3673 C CYS Y 15 -2.379 25.936 8.165 1.00 0.00 C ATOM 3674 O CYS Y 15 -2.429 26.189 6.962 1.00 0.00 O ATOM 3675 CB CYS Y 15 -0.297 24.811 8.983 1.00 0.00 C ATOM 3676 SG CYS Y 15 1.284 24.918 9.881 1.00 0.00 S ATOM 0 H CYS Y 15 -1.162 25.890 11.035 1.00 0.00 H new ATOM 0 HA CYS Y 15 -0.481 26.882 8.456 1.00 0.00 H new ATOM 0 HB2 CYS Y 15 -0.914 24.040 9.445 1.00 0.00 H new ATOM 0 HB3 CYS Y 15 -0.101 24.492 7.959 1.00 0.00 H new ATOM 3681 N PHE Y 16 -3.427 25.498 8.858 1.00 0.00 N ATOM 3682 CA PHE Y 16 -4.725 25.286 8.228 1.00 0.00 C ATOM 3683 C PHE Y 16 -5.297 26.607 7.722 1.00 0.00 C ATOM 3684 O PHE Y 16 -5.973 26.651 6.695 1.00 0.00 O ATOM 3685 CB PHE Y 16 -5.697 24.633 9.214 1.00 0.00 C ATOM 3686 CG PHE Y 16 -5.598 23.134 9.246 1.00 0.00 C ATOM 3687 CD1 PHE Y 16 -5.759 22.391 8.089 1.00 0.00 C ATOM 3688 CD2 PHE Y 16 -5.340 22.469 10.435 1.00 0.00 C ATOM 3689 CE1 PHE Y 16 -5.667 21.012 8.114 1.00 0.00 C ATOM 3690 CE2 PHE Y 16 -5.246 21.090 10.467 1.00 0.00 C ATOM 3691 CZ PHE Y 16 -5.411 20.361 9.305 1.00 0.00 C ATOM 0 H PHE Y 16 -3.402 25.283 9.855 1.00 0.00 H new ATOM 0 HA PHE Y 16 -4.588 24.618 7.377 1.00 0.00 H new ATOM 0 HB2 PHE Y 16 -5.506 25.024 10.213 1.00 0.00 H new ATOM 0 HB3 PHE Y 16 -6.716 24.917 8.950 1.00 0.00 H new ATOM 0 HD1 PHE Y 16 -5.959 22.895 7.155 1.00 0.00 H new ATOM 0 HD2 PHE Y 16 -5.211 23.034 11.346 1.00 0.00 H new ATOM 0 HE1 PHE Y 16 -5.795 20.445 7.204 1.00 0.00 H new ATOM 0 HE2 PHE Y 16 -5.044 20.583 11.399 1.00 0.00 H new ATOM 0 HZ PHE Y 16 -5.340 19.284 9.328 1.00 0.00 H new ATOM 3701 N GLU Y 17 -5.013 27.683 8.450 1.00 0.00 N ATOM 3702 CA GLU Y 17 -5.490 29.009 8.072 1.00 0.00 C ATOM 3703 C GLU Y 17 -4.663 29.590 6.921 1.00 0.00 C ATOM 3704 O GLU Y 17 -5.147 30.436 6.172 1.00 0.00 O ATOM 3705 CB GLU Y 17 -5.443 29.951 9.277 1.00 0.00 C ATOM 3706 CG GLU Y 17 -6.462 29.610 10.352 1.00 0.00 C ATOM 3707 CD GLU Y 17 -6.952 30.834 11.101 1.00 0.00 C ATOM 3708 OE1 GLU Y 17 -6.116 31.532 11.711 1.00 0.00 O ATOM 3709 OE2 GLU Y 17 -8.173 31.094 11.076 1.00 0.00 O ATOM 0 H GLU Y 17 -4.456 27.663 9.304 1.00 0.00 H new ATOM 0 HA GLU Y 17 -6.521 28.910 7.733 1.00 0.00 H new ATOM 0 HB2 GLU Y 17 -4.444 29.922 9.712 1.00 0.00 H new ATOM 0 HB3 GLU Y 17 -5.613 30.972 8.937 1.00 0.00 H new ATOM 0 HG2 GLU Y 17 -7.312 29.104 9.894 1.00 0.00 H new ATOM 0 HG3 GLU Y 17 -6.018 28.910 11.059 1.00 0.00 H new ATOM 3716 N ARG Y 18 -3.411 29.142 6.790 1.00 0.00 N ATOM 3717 CA ARG Y 18 -2.529 29.638 5.734 1.00 0.00 C ATOM 3718 C ARG Y 18 -2.583 28.768 4.474 1.00 0.00 C ATOM 3719 O ARG Y 18 -1.643 28.769 3.679 1.00 0.00 O ATOM 3720 CB ARG Y 18 -1.090 29.708 6.248 1.00 0.00 C ATOM 3721 CG ARG Y 18 -0.898 30.708 7.377 1.00 0.00 C ATOM 3722 CD ARG Y 18 0.180 30.259 8.356 1.00 0.00 C ATOM 3723 NE ARG Y 18 1.525 30.395 7.794 1.00 0.00 N ATOM 3724 CZ ARG Y 18 2.644 30.486 8.521 1.00 0.00 C ATOM 3725 NH1 ARG Y 18 2.602 30.456 9.851 1.00 0.00 N ATOM 3726 NH2 ARG Y 18 3.815 30.607 7.908 1.00 0.00 N ATOM 0 H ARG Y 18 -2.989 28.441 7.399 1.00 0.00 H new ATOM 0 HA ARG Y 18 -2.879 30.634 5.462 1.00 0.00 H new ATOM 0 HB2 ARG Y 18 -0.787 28.719 6.593 1.00 0.00 H new ATOM 0 HB3 ARG Y 18 -0.430 29.973 5.422 1.00 0.00 H new ATOM 0 HG2 ARG Y 18 -0.629 31.679 6.960 1.00 0.00 H new ATOM 0 HG3 ARG Y 18 -1.840 30.840 7.909 1.00 0.00 H new ATOM 0 HD2 ARG Y 18 0.108 30.849 9.270 1.00 0.00 H new ATOM 0 HD3 ARG Y 18 0.007 29.219 8.634 1.00 0.00 H new ATOM 0 HE ARG Y 18 1.615 30.422 6.778 1.00 0.00 H new ATOM 0 HH11 ARG Y 18 1.707 30.362 10.331 1.00 0.00 H new ATOM 0 HH12 ARG Y 18 3.465 30.527 10.390 1.00 0.00 H new ATOM 0 HH21 ARG Y 18 3.857 30.630 6.889 1.00 0.00 H new ATOM 0 HH22 ARG Y 18 4.673 30.677 8.456 1.00 0.00 H new ATOM 3740 N LEU Y 19 -3.682 28.035 4.284 1.00 0.00 N ATOM 3741 CA LEU Y 19 -3.833 27.180 3.107 1.00 0.00 C ATOM 3742 C LEU Y 19 -4.203 28.012 1.879 1.00 0.00 C ATOM 3743 O LEU Y 19 -3.277 28.505 1.200 1.00 0.00 O ATOM 3744 CB LEU Y 19 -4.891 26.096 3.359 1.00 0.00 C ATOM 3745 CG LEU Y 19 -4.345 24.789 3.940 1.00 0.00 C ATOM 3746 CD1 LEU Y 19 -5.402 24.086 4.776 1.00 0.00 C ATOM 3747 CD2 LEU Y 19 -3.858 23.877 2.825 1.00 0.00 C ATOM 3748 OXT LEU Y 19 -5.412 28.171 1.612 1.00 0.00 O ATOM 0 H LEU Y 19 -4.475 28.017 4.926 1.00 0.00 H new ATOM 0 HA LEU Y 19 -2.877 26.692 2.916 1.00 0.00 H new ATOM 0 HB2 LEU Y 19 -5.643 26.494 4.040 1.00 0.00 H new ATOM 0 HB3 LEU Y 19 -5.397 25.876 2.419 1.00 0.00 H new ATOM 0 HG LEU Y 19 -3.502 25.029 4.588 1.00 0.00 H new ATOM 0 HD11 LEU Y 19 -4.991 23.160 5.178 1.00 0.00 H new ATOM 0 HD12 LEU Y 19 -5.707 24.735 5.597 1.00 0.00 H new ATOM 0 HD13 LEU Y 19 -6.267 23.859 4.153 1.00 0.00 H new ATOM 0 HD21 LEU Y 19 -3.473 22.952 3.254 1.00 0.00 H new ATOM 0 HD22 LEU Y 19 -4.686 23.649 2.154 1.00 0.00 H new ATOM 0 HD23 LEU Y 19 -3.066 24.376 2.267 1.00 0.00 H new TER 3760 LEU Y 19