USER MOD reduce.3.24.130724 H: found=0, std=0, add=983, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 982 hydrogens (32 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 NoAdj-H: A 53 HIS HE2 : A 53 HIS NE2 : A 125 HECFE :(H bumps) USER MOD NoAdj-H: A 95 HIS HE2 : A 95 HIS NE2 : A 125 HECFE :(H bumps) USER MOD NoAdj-H: A 125 HEC HAC : A 125 HEC CAC : A 52 CYS SG :(H bumps) USER MOD NoAdj-H: A 125 HEC HAB : A 125 HEC CAB : A 49 CYS SG :(H bumps) USER MOD Set 1.1: A 41 THR OG1 : rot -116:sc= 1.11 USER MOD Set 1.2: A 43 SER OG : rot 63:sc= 0.613 USER MOD Single : A 1 ASP N :NH3+ -160:sc= -2.76! (180deg=-4.21!) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 4 ASN : amide:sc= -5.24! C(o=-5.2!,f=-5.1!) USER MOD Single : A 7 LYS NZ :NH3+ -142:sc= -0.823 (180deg=-2.94!) USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 TYR OH : rot -30:sc= -1.87 USER MOD Single : A 13 THR OG1 : rot 103:sc= 0.339 USER MOD Single : A 14 ASN : amide:sc= -0.0165 X(o=-0.016,f=-0.14) USER MOD Single : A 17 HIS : no HE2:sc= 1.09 K(o=1.1,f=-3.4!) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 20 ASN : amide:sc= 0.355 X(o=0.36,f=-0.068) USER MOD Single : A 22 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 23 TYR OH : rot 80:sc= 0.102 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot -7:sc= 0.562 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 ASN : amide:sc= -1.13 X(o=-1.1,f=-1.1) USER MOD Single : A 38 LYS NZ :NH3+ -166:sc= -0.0246 (180deg=-0.37) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 SER OG : rot -105:sc= -3.42! USER MOD Single : A 54 THR OG1 : rot 45:sc= -1.23! USER MOD Single : A 55 ASN : amide:sc= -0.651 K(o=-0.65,f=-2.6) USER MOD Single : A 56 ASN : amide:sc= -1 K(o=-1,f=-2.6!) USER MOD Single : A 59 ASN : amide:sc= 0.438 K(o=0.44,f=-4.6!) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 ASN : amide:sc= -8.36! C(o=-8.4!,f=-7.5!) USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 ASN : amide:sc= -4.79! C(o=-4.8!,f=-13!) USER MOD Single : A 79 THR OG1 : rot 180:sc= 0.118 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 THR OG1 : rot -148:sc= -1.93! USER MOD Single : A 94 LYS NZ :NH3+ 159:sc= 0.113 (180deg=-0.424) USER MOD Single : A 97 ASN : amide:sc= -0.345 K(o=-0.34,f=-2.2!) USER MOD Single : A 105 SER OG : rot 180:sc= 0 USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD Single : A 109 LYS NZ :NH3+ 161:sc= -0.632 (180deg=-0.955) USER MOD Single : A 111 ASN : amide:sc= -5.07! C(o=-5.1!,f=-2.8!) USER MOD Single : A 115 TYR OH : rot -115:sc=-0.00142 USER MOD Single : A 118 THR OG1 : rot 75:sc= 1.25 USER MOD Single : A 120 THR OG1 : rot 180:sc= 0 USER MOD Single : A 121 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0666) USER MOD Single : A 123 THR OG1 : rot -61:sc= 0.535 USER MOD Single : A 124 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0374) USER MOD Single : A 125 HEC O2A : rot 165:sc= -0.331 USER MOD Single : A 125 HEC O2D : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 1 -7.989 -0.048 11.049 1.00 0.00 N ATOM 2 CA ASP A 1 -7.661 0.593 12.311 1.00 0.00 C ATOM 3 C ASP A 1 -6.374 -0.018 12.868 1.00 0.00 C ATOM 4 O ASP A 1 -5.817 -0.944 12.281 1.00 0.00 O ATOM 5 CB ASP A 1 -8.771 0.378 13.342 1.00 0.00 C ATOM 6 CG ASP A 1 -10.067 -0.213 12.784 1.00 0.00 C ATOM 7 OD1 ASP A 1 -10.889 0.589 12.289 1.00 0.00 O ATOM 8 OD2 ASP A 1 -10.207 -1.452 12.864 1.00 0.00 O ATOM 0 H1 ASP A 1 -8.635 0.561 10.508 1.00 0.00 H new ATOM 0 H2 ASP A 1 -7.118 -0.202 10.501 1.00 0.00 H new ATOM 0 H3 ASP A 1 -8.448 -0.963 11.233 1.00 0.00 H new ATOM 0 HA ASP A 1 -7.541 1.661 12.127 1.00 0.00 H new ATOM 0 HB2 ASP A 1 -8.396 -0.282 14.125 1.00 0.00 H new ATOM 0 HB3 ASP A 1 -8.999 1.334 13.813 1.00 0.00 H new ATOM 15 N VAL A 2 -5.939 0.525 13.996 1.00 0.00 N ATOM 16 CA VAL A 2 -4.727 0.045 14.639 1.00 0.00 C ATOM 17 C VAL A 2 -4.890 -1.438 14.980 1.00 0.00 C ATOM 18 O VAL A 2 -3.926 -2.200 14.923 1.00 0.00 O ATOM 19 CB VAL A 2 -4.407 0.908 15.861 1.00 0.00 C ATOM 20 CG1 VAL A 2 -3.187 0.366 16.610 1.00 0.00 C ATOM 21 CG2 VAL A 2 -4.200 2.370 15.460 1.00 0.00 C ATOM 0 H VAL A 2 -6.404 1.292 14.481 1.00 0.00 H new ATOM 0 HA VAL A 2 -3.875 0.132 13.964 1.00 0.00 H new ATOM 0 HB VAL A 2 -5.261 0.864 16.536 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -2.981 0.997 17.474 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -3.388 -0.652 16.944 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -2.323 0.366 15.946 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -3.974 2.962 16.347 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -3.371 2.440 14.756 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -5.107 2.751 14.991 1.00 0.00 H new ATOM 31 N THR A 3 -6.115 -1.802 15.327 1.00 0.00 N ATOM 32 CA THR A 3 -6.416 -3.180 15.677 1.00 0.00 C ATOM 33 C THR A 3 -6.641 -4.014 14.415 1.00 0.00 C ATOM 34 O THR A 3 -7.073 -5.163 14.494 1.00 0.00 O ATOM 35 CB THR A 3 -7.616 -3.175 16.625 1.00 0.00 C ATOM 36 OG1 THR A 3 -7.136 -2.512 17.791 1.00 0.00 O ATOM 37 CG2 THR A 3 -7.979 -4.578 17.117 1.00 0.00 C ATOM 0 H THR A 3 -6.912 -1.167 15.373 1.00 0.00 H new ATOM 0 HA THR A 3 -5.578 -3.649 16.193 1.00 0.00 H new ATOM 0 HB THR A 3 -8.475 -2.733 16.120 1.00 0.00 H new ATOM 0 HG1 THR A 3 -7.852 -2.464 18.458 1.00 0.00 H new ATOM 0 HG21 THR A 3 -8.837 -4.518 17.787 1.00 0.00 H new ATOM 0 HG22 THR A 3 -8.228 -5.210 16.264 1.00 0.00 H new ATOM 0 HG23 THR A 3 -7.131 -5.007 17.651 1.00 0.00 H new ATOM 45 N ASN A 4 -6.339 -3.403 13.278 1.00 0.00 N ATOM 46 CA ASN A 4 -6.504 -4.075 12.000 1.00 0.00 C ATOM 47 C ASN A 4 -5.144 -4.182 11.307 1.00 0.00 C ATOM 48 O ASN A 4 -4.626 -5.281 11.117 1.00 0.00 O ATOM 49 CB ASN A 4 -7.443 -3.289 11.082 1.00 0.00 C ATOM 50 CG ASN A 4 -8.897 -3.718 11.289 1.00 0.00 C ATOM 51 OD1 ASN A 4 -9.632 -3.982 10.352 1.00 0.00 O ATOM 52 ND2 ASN A 4 -9.269 -3.772 12.564 1.00 0.00 N ATOM 0 H ASN A 4 -5.981 -2.450 13.216 1.00 0.00 H new ATOM 0 HA ASN A 4 -6.927 -5.062 12.189 1.00 0.00 H new ATOM 0 HB2 ASN A 4 -7.343 -2.222 11.281 1.00 0.00 H new ATOM 0 HB3 ASN A 4 -7.158 -3.448 10.042 1.00 0.00 H new ATOM 0 HD21 ASN A 4 -10.221 -4.048 12.806 1.00 0.00 H new ATOM 0 HD22 ASN A 4 -8.603 -3.538 13.300 1.00 0.00 H new ATOM 59 N ALA A 5 -4.607 -3.026 10.948 1.00 0.00 N ATOM 60 CA ALA A 5 -3.317 -2.976 10.279 1.00 0.00 C ATOM 61 C ALA A 5 -2.384 -4.015 10.903 1.00 0.00 C ATOM 62 O ALA A 5 -1.674 -4.724 10.191 1.00 0.00 O ATOM 63 CB ALA A 5 -2.752 -1.557 10.366 1.00 0.00 C ATOM 0 H ALA A 5 -5.041 -2.117 11.107 1.00 0.00 H new ATOM 0 HA ALA A 5 -3.422 -3.220 9.222 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -1.785 -1.519 9.865 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -3.439 -0.862 9.883 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -2.629 -1.278 11.412 1.00 0.00 H new ATOM 69 N GLU A 6 -2.414 -4.072 12.226 1.00 0.00 N ATOM 70 CA GLU A 6 -1.579 -5.013 12.954 1.00 0.00 C ATOM 71 C GLU A 6 -1.804 -6.434 12.434 1.00 0.00 C ATOM 72 O GLU A 6 -0.847 -7.153 12.151 1.00 0.00 O ATOM 73 CB GLU A 6 -1.844 -4.931 14.458 1.00 0.00 C ATOM 74 CG GLU A 6 -1.380 -6.205 15.167 1.00 0.00 C ATOM 75 CD GLU A 6 0.095 -6.489 14.875 1.00 0.00 C ATOM 76 OE1 GLU A 6 0.904 -5.559 15.084 1.00 0.00 O ATOM 77 OE2 GLU A 6 0.380 -7.628 14.448 1.00 0.00 O ATOM 0 H GLU A 6 -3.003 -3.482 12.813 1.00 0.00 H new ATOM 0 HA GLU A 6 -0.535 -4.747 12.788 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -1.325 -4.068 14.876 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -2.909 -4.779 14.636 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -1.528 -6.102 16.242 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -1.988 -7.049 14.841 1.00 0.00 H new ATOM 84 N LYS A 7 -3.073 -6.796 12.325 1.00 0.00 N ATOM 85 CA LYS A 7 -3.436 -8.119 11.844 1.00 0.00 C ATOM 86 C LYS A 7 -2.867 -8.319 10.438 1.00 0.00 C ATOM 87 O LYS A 7 -2.183 -9.307 10.176 1.00 0.00 O ATOM 88 CB LYS A 7 -4.949 -8.324 11.931 1.00 0.00 C ATOM 89 CG LYS A 7 -5.377 -9.578 11.165 1.00 0.00 C ATOM 90 CD LYS A 7 -5.403 -9.317 9.658 1.00 0.00 C ATOM 91 CE LYS A 7 -6.704 -9.828 9.035 1.00 0.00 C ATOM 92 NZ LYS A 7 -6.420 -10.625 7.821 1.00 0.00 N ATOM 0 H LYS A 7 -3.864 -6.197 12.561 1.00 0.00 H new ATOM 0 HA LYS A 7 -2.997 -8.889 12.478 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -5.248 -8.412 12.975 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -5.462 -7.452 11.524 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -4.690 -10.395 11.384 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -6.365 -9.894 11.500 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -5.300 -8.249 9.469 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -4.552 -9.808 9.186 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -7.246 -10.437 9.759 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -7.348 -8.986 8.782 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -7.145 -10.432 7.101 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -5.484 -10.367 7.447 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -6.430 -11.637 8.060 1.00 0.00 H new ATOM 106 N LEU A 8 -3.172 -7.366 9.570 1.00 0.00 N ATOM 107 CA LEU A 8 -2.701 -7.425 8.197 1.00 0.00 C ATOM 108 C LEU A 8 -1.196 -7.705 8.191 1.00 0.00 C ATOM 109 O LEU A 8 -0.720 -8.542 7.425 1.00 0.00 O ATOM 110 CB LEU A 8 -3.093 -6.154 7.440 1.00 0.00 C ATOM 111 CG LEU A 8 -4.530 -6.102 6.918 1.00 0.00 C ATOM 112 CD1 LEU A 8 -4.718 -4.933 5.948 1.00 0.00 C ATOM 113 CD2 LEU A 8 -4.935 -7.437 6.291 1.00 0.00 C ATOM 0 H LEU A 8 -3.740 -6.548 9.791 1.00 0.00 H new ATOM 0 HA LEU A 8 -3.181 -8.246 7.664 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -2.935 -5.299 8.098 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -2.416 -6.035 6.594 1.00 0.00 H new ATOM 0 HG LEU A 8 -5.195 -5.930 7.764 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -5.748 -4.918 5.591 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -4.498 -3.996 6.460 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -4.042 -5.051 5.101 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -5.961 -7.372 5.928 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -4.269 -7.665 5.458 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -4.864 -8.227 7.039 1.00 0.00 H new ATOM 125 N VAL A 9 -0.490 -6.988 9.053 1.00 0.00 N ATOM 126 CA VAL A 9 0.950 -7.149 9.156 1.00 0.00 C ATOM 127 C VAL A 9 1.269 -8.573 9.614 1.00 0.00 C ATOM 128 O VAL A 9 2.045 -9.299 8.997 1.00 0.00 O ATOM 129 CB VAL A 9 1.531 -6.079 10.084 1.00 0.00 C ATOM 130 CG1 VAL A 9 3.055 -6.188 10.160 1.00 0.00 C ATOM 131 CG2 VAL A 9 1.102 -4.679 9.642 1.00 0.00 C ATOM 0 H VAL A 9 -0.888 -6.295 9.686 1.00 0.00 H new ATOM 0 HA VAL A 9 1.420 -7.008 8.183 1.00 0.00 H new ATOM 0 HB VAL A 9 1.133 -6.251 11.084 1.00 0.00 H new ATOM 0 HG11 VAL A 9 3.442 -5.417 10.826 1.00 0.00 H new ATOM 0 HG12 VAL A 9 3.331 -7.170 10.544 1.00 0.00 H new ATOM 0 HG13 VAL A 9 3.479 -6.055 9.165 1.00 0.00 H new ATOM 0 HG21 VAL A 9 1.528 -3.938 10.318 1.00 0.00 H new ATOM 0 HG22 VAL A 9 1.457 -4.493 8.628 1.00 0.00 H new ATOM 0 HG23 VAL A 9 0.015 -4.608 9.664 1.00 0.00 H new ATOM 141 N TYR A 10 0.642 -8.962 10.726 1.00 0.00 N ATOM 142 CA TYR A 10 0.837 -10.282 11.291 1.00 0.00 C ATOM 143 C TYR A 10 0.280 -11.336 10.345 1.00 0.00 C ATOM 144 O TYR A 10 0.524 -12.521 10.564 1.00 0.00 O ATOM 145 CB TYR A 10 0.151 -10.359 12.651 1.00 0.00 C ATOM 146 CG TYR A 10 0.645 -11.497 13.513 1.00 0.00 C ATOM 147 CD1 TYR A 10 0.029 -12.752 13.434 1.00 0.00 C ATOM 148 CD2 TYR A 10 1.717 -11.297 14.389 1.00 0.00 C ATOM 149 CE1 TYR A 10 0.487 -13.807 14.232 1.00 0.00 C ATOM 150 CE2 TYR A 10 2.175 -12.352 15.187 1.00 0.00 C ATOM 151 CZ TYR A 10 1.560 -13.608 15.108 1.00 0.00 C ATOM 152 OH TYR A 10 2.007 -14.636 15.886 1.00 0.00 O ATOM 0 H TYR A 10 -0.006 -8.373 11.249 1.00 0.00 H new ATOM 0 HA TYR A 10 1.902 -10.470 11.425 1.00 0.00 H new ATOM 0 HB2 TYR A 10 0.306 -9.419 13.181 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -0.923 -10.467 12.501 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -0.799 -12.906 12.758 1.00 0.00 H new ATOM 0 HD2 TYR A 10 2.191 -10.329 14.450 1.00 0.00 H new ATOM 0 HE1 TYR A 10 0.012 -14.775 14.172 1.00 0.00 H new ATOM 0 HE2 TYR A 10 3.003 -12.198 15.864 1.00 0.00 H new ATOM 0 HH TYR A 10 2.758 -14.328 16.435 1.00 0.00 H new ATOM 162 N LYS A 11 -0.447 -10.896 9.328 1.00 0.00 N ATOM 163 CA LYS A 11 -1.026 -11.819 8.367 1.00 0.00 C ATOM 164 C LYS A 11 -0.086 -11.955 7.167 1.00 0.00 C ATOM 165 O LYS A 11 0.595 -12.961 6.981 1.00 0.00 O ATOM 166 CB LYS A 11 -2.443 -11.382 7.991 1.00 0.00 C ATOM 167 CG LYS A 11 -3.489 -12.256 8.687 1.00 0.00 C ATOM 168 CD LYS A 11 -3.634 -13.605 7.980 1.00 0.00 C ATOM 169 CE LYS A 11 -5.016 -14.210 8.234 1.00 0.00 C ATOM 170 NZ LYS A 11 -4.901 -15.443 9.045 1.00 0.00 N ATOM 0 H LYS A 11 -0.648 -9.912 9.149 1.00 0.00 H new ATOM 0 HA LYS A 11 -1.129 -12.811 8.806 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -2.592 -10.339 8.270 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -2.572 -11.445 6.910 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -3.202 -12.415 9.726 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -4.450 -11.741 8.697 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -3.480 -13.477 6.909 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -2.863 -14.290 8.333 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -5.647 -13.486 8.749 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -5.501 -14.436 7.284 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -5.848 -15.841 9.208 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -4.316 -16.138 8.539 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -4.458 -15.218 9.959 1.00 0.00 H new ATOM 184 N TYR A 12 -0.064 -10.903 6.346 1.00 0.00 N ATOM 185 CA TYR A 12 0.773 -10.875 5.163 1.00 0.00 C ATOM 186 C TYR A 12 2.187 -11.314 5.520 1.00 0.00 C ATOM 187 O TYR A 12 2.902 -11.789 4.640 1.00 0.00 O ATOM 188 CB TYR A 12 0.776 -9.467 4.576 1.00 0.00 C ATOM 189 CG TYR A 12 -0.500 -9.114 3.850 1.00 0.00 C ATOM 190 CD1 TYR A 12 -0.759 -9.656 2.586 1.00 0.00 C ATOM 191 CD2 TYR A 12 -1.424 -8.245 4.442 1.00 0.00 C ATOM 192 CE1 TYR A 12 -1.943 -9.329 1.913 1.00 0.00 C ATOM 193 CE2 TYR A 12 -2.608 -7.918 3.770 1.00 0.00 C ATOM 194 CZ TYR A 12 -2.867 -8.460 2.505 1.00 0.00 C ATOM 195 OH TYR A 12 -4.020 -8.142 1.850 1.00 0.00 O ATOM 0 H TYR A 12 -0.621 -10.060 6.487 1.00 0.00 H new ATOM 0 HA TYR A 12 0.378 -11.564 4.417 1.00 0.00 H new ATOM 0 HB2 TYR A 12 0.939 -8.748 5.379 1.00 0.00 H new ATOM 0 HB3 TYR A 12 1.615 -9.371 3.887 1.00 0.00 H new ATOM 0 HD1 TYR A 12 -0.046 -10.326 2.129 1.00 0.00 H new ATOM 0 HD2 TYR A 12 -1.224 -7.827 5.417 1.00 0.00 H new ATOM 0 HE1 TYR A 12 -2.143 -9.747 0.938 1.00 0.00 H new ATOM 0 HE2 TYR A 12 -3.321 -7.248 4.227 1.00 0.00 H new ATOM 0 HH TYR A 12 -3.865 -8.171 0.883 1.00 0.00 H new ATOM 205 N THR A 13 2.557 -11.150 6.782 1.00 0.00 N ATOM 206 CA THR A 13 3.885 -11.536 7.227 1.00 0.00 C ATOM 207 C THR A 13 3.978 -13.056 7.375 1.00 0.00 C ATOM 208 O THR A 13 4.912 -13.677 6.870 1.00 0.00 O ATOM 209 CB THR A 13 4.188 -10.780 8.523 1.00 0.00 C ATOM 210 OG1 THR A 13 4.272 -9.417 8.118 1.00 0.00 O ATOM 211 CG2 THR A 13 5.581 -11.093 9.072 1.00 0.00 C ATOM 0 H THR A 13 1.961 -10.755 7.509 1.00 0.00 H new ATOM 0 HA THR A 13 4.642 -11.266 6.491 1.00 0.00 H new ATOM 0 HB THR A 13 3.438 -11.031 9.273 1.00 0.00 H new ATOM 0 HG1 THR A 13 3.445 -8.951 8.364 1.00 0.00 H new ATOM 0 HG21 THR A 13 5.744 -10.531 9.991 1.00 0.00 H new ATOM 0 HG22 THR A 13 5.659 -12.160 9.280 1.00 0.00 H new ATOM 0 HG23 THR A 13 6.334 -10.811 8.336 1.00 0.00 H new ATOM 219 N ASN A 14 2.996 -13.612 8.069 1.00 0.00 N ATOM 220 CA ASN A 14 2.954 -15.047 8.290 1.00 0.00 C ATOM 221 C ASN A 14 2.860 -15.764 6.941 1.00 0.00 C ATOM 222 O ASN A 14 3.676 -16.632 6.637 1.00 0.00 O ATOM 223 CB ASN A 14 1.732 -15.442 9.121 1.00 0.00 C ATOM 224 CG ASN A 14 2.081 -16.551 10.116 1.00 0.00 C ATOM 225 OD1 ASN A 14 2.988 -16.434 10.923 1.00 0.00 O ATOM 226 ND2 ASN A 14 1.311 -17.631 10.014 1.00 0.00 N ATOM 0 H ASN A 14 2.223 -13.094 8.486 1.00 0.00 H new ATOM 0 HA ASN A 14 3.860 -15.332 8.824 1.00 0.00 H new ATOM 0 HB2 ASN A 14 1.356 -14.571 9.658 1.00 0.00 H new ATOM 0 HB3 ASN A 14 0.932 -15.779 8.461 1.00 0.00 H new ATOM 0 HD21 ASN A 14 1.463 -18.426 10.634 1.00 0.00 H new ATOM 0 HD22 ASN A 14 0.568 -17.664 9.316 1.00 0.00 H new ATOM 233 N ILE A 15 1.856 -15.373 6.169 1.00 0.00 N ATOM 234 CA ILE A 15 1.644 -15.967 4.860 1.00 0.00 C ATOM 235 C ILE A 15 2.976 -16.024 4.109 1.00 0.00 C ATOM 236 O ILE A 15 3.335 -17.060 3.552 1.00 0.00 O ATOM 237 CB ILE A 15 0.544 -15.219 4.104 1.00 0.00 C ATOM 238 CG1 ILE A 15 -0.841 -15.733 4.502 1.00 0.00 C ATOM 239 CG2 ILE A 15 0.770 -15.292 2.593 1.00 0.00 C ATOM 240 CD1 ILE A 15 -1.859 -14.592 4.541 1.00 0.00 C ATOM 0 H ILE A 15 1.181 -14.652 6.425 1.00 0.00 H new ATOM 0 HA ILE A 15 1.289 -16.993 4.960 1.00 0.00 H new ATOM 0 HB ILE A 15 0.590 -14.167 4.386 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -1.168 -16.493 3.793 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -0.788 -16.211 5.480 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -0.026 -14.752 2.080 1.00 0.00 H new ATOM 0 HG22 ILE A 15 1.731 -14.841 2.347 1.00 0.00 H new ATOM 0 HG23 ILE A 15 0.766 -16.334 2.274 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -2.835 -14.985 4.827 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -1.541 -13.846 5.269 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -1.927 -14.132 3.555 1.00 0.00 H new ATOM 252 N ALA A 16 3.673 -14.897 4.118 1.00 0.00 N ATOM 253 CA ALA A 16 4.957 -14.806 3.445 1.00 0.00 C ATOM 254 C ALA A 16 5.897 -15.877 4.002 1.00 0.00 C ATOM 255 O ALA A 16 6.448 -16.677 3.247 1.00 0.00 O ATOM 256 CB ALA A 16 5.521 -13.393 3.609 1.00 0.00 C ATOM 0 H ALA A 16 3.372 -14.039 4.581 1.00 0.00 H new ATOM 0 HA ALA A 16 4.844 -14.990 2.377 1.00 0.00 H new ATOM 0 HB1 ALA A 16 6.485 -13.325 3.104 1.00 0.00 H new ATOM 0 HB2 ALA A 16 4.830 -12.672 3.171 1.00 0.00 H new ATOM 0 HB3 ALA A 16 5.651 -13.174 4.669 1.00 0.00 H new ATOM 262 N HIS A 17 6.052 -15.857 5.317 1.00 0.00 N ATOM 263 CA HIS A 17 6.916 -16.816 5.984 1.00 0.00 C ATOM 264 C HIS A 17 6.452 -18.237 5.659 1.00 0.00 C ATOM 265 O HIS A 17 7.260 -19.163 5.612 1.00 0.00 O ATOM 266 CB HIS A 17 6.975 -16.541 7.488 1.00 0.00 C ATOM 267 CG HIS A 17 7.913 -17.452 8.243 1.00 0.00 C ATOM 268 ND1 HIS A 17 9.284 -17.261 8.269 1.00 0.00 N ATOM 269 CD2 HIS A 17 7.664 -18.560 8.998 1.00 0.00 C ATOM 270 CE1 HIS A 17 9.825 -18.218 9.009 1.00 0.00 C ATOM 271 NE2 HIS A 17 8.820 -19.022 9.459 1.00 0.00 N ATOM 0 H HIS A 17 5.594 -15.191 5.939 1.00 0.00 H new ATOM 0 HA HIS A 17 7.936 -16.710 5.614 1.00 0.00 H new ATOM 0 HB2 HIS A 17 7.283 -15.508 7.646 1.00 0.00 H new ATOM 0 HB3 HIS A 17 5.973 -16.642 7.905 1.00 0.00 H new ATOM 0 HD1 HIS A 17 9.791 -16.511 7.799 1.00 0.00 H new ATOM 0 HD2 HIS A 17 6.691 -18.989 9.189 1.00 0.00 H new ATOM 0 HE1 HIS A 17 10.877 -18.340 9.219 1.00 0.00 H new ATOM 279 N SER A 18 5.151 -18.366 5.443 1.00 0.00 N ATOM 280 CA SER A 18 4.569 -19.659 5.124 1.00 0.00 C ATOM 281 C SER A 18 4.981 -20.083 3.713 1.00 0.00 C ATOM 282 O SER A 18 4.901 -21.261 3.368 1.00 0.00 O ATOM 283 CB SER A 18 3.044 -19.621 5.243 1.00 0.00 C ATOM 284 OG SER A 18 2.459 -20.900 5.017 1.00 0.00 O ATOM 0 H SER A 18 4.483 -17.596 5.483 1.00 0.00 H new ATOM 0 HA SER A 18 4.944 -20.390 5.841 1.00 0.00 H new ATOM 0 HB2 SER A 18 2.767 -19.266 6.235 1.00 0.00 H new ATOM 0 HB3 SER A 18 2.642 -18.906 4.525 1.00 0.00 H new ATOM 0 HG SER A 18 1.485 -20.834 5.103 1.00 0.00 H new ATOM 290 N ALA A 19 5.411 -19.101 2.935 1.00 0.00 N ATOM 291 CA ALA A 19 5.836 -19.358 1.570 1.00 0.00 C ATOM 292 C ALA A 19 7.358 -19.511 1.533 1.00 0.00 C ATOM 293 O ALA A 19 7.882 -20.367 0.822 1.00 0.00 O ATOM 294 CB ALA A 19 5.341 -18.232 0.660 1.00 0.00 C ATOM 0 H ALA A 19 5.474 -18.125 3.224 1.00 0.00 H new ATOM 0 HA ALA A 19 5.403 -20.288 1.203 1.00 0.00 H new ATOM 0 HB1 ALA A 19 5.660 -18.425 -0.364 1.00 0.00 H new ATOM 0 HB2 ALA A 19 4.253 -18.185 0.698 1.00 0.00 H new ATOM 0 HB3 ALA A 19 5.757 -17.283 0.997 1.00 0.00 H new ATOM 300 N ASN A 20 8.024 -18.668 2.309 1.00 0.00 N ATOM 301 CA ASN A 20 9.475 -18.699 2.374 1.00 0.00 C ATOM 302 C ASN A 20 9.921 -18.460 3.818 1.00 0.00 C ATOM 303 O ASN A 20 9.563 -17.473 4.457 1.00 0.00 O ATOM 304 CB ASN A 20 10.089 -17.602 1.502 1.00 0.00 C ATOM 305 CG ASN A 20 10.831 -18.203 0.306 1.00 0.00 C ATOM 306 OD1 ASN A 20 11.934 -17.809 -0.034 1.00 0.00 O ATOM 307 ND2 ASN A 20 10.166 -19.176 -0.310 1.00 0.00 N ATOM 0 H ASN A 20 7.585 -17.960 2.898 1.00 0.00 H new ATOM 0 HA ASN A 20 9.808 -19.673 2.016 1.00 0.00 H new ATOM 0 HB2 ASN A 20 9.305 -16.932 1.149 1.00 0.00 H new ATOM 0 HB3 ASN A 20 10.777 -17.002 2.097 1.00 0.00 H new ATOM 0 HD21 ASN A 20 10.577 -19.641 -1.120 1.00 0.00 H new ATOM 0 HD22 ASN A 20 9.245 -19.457 0.027 1.00 0.00 H new ATOM 314 N PRO A 21 10.724 -19.400 4.323 1.00 0.00 N ATOM 315 CA PRO A 21 11.265 -19.375 5.665 1.00 0.00 C ATOM 316 C PRO A 21 12.279 -18.246 5.785 1.00 0.00 C ATOM 317 O PRO A 21 12.792 -18.023 6.881 1.00 0.00 O ATOM 318 CB PRO A 21 11.937 -20.735 5.841 1.00 0.00 C ATOM 319 CG PRO A 21 12.250 -21.192 4.477 1.00 0.00 C ATOM 320 CD PRO A 21 11.165 -20.572 3.599 1.00 0.00 C ATOM 0 HA PRO A 21 10.504 -19.202 6.427 1.00 0.00 H new ATOM 0 HB2 PRO A 21 12.840 -20.652 6.445 1.00 0.00 H new ATOM 0 HB3 PRO A 21 11.277 -21.437 6.350 1.00 0.00 H new ATOM 0 HG2 PRO A 21 13.243 -20.865 4.169 1.00 0.00 H new ATOM 0 HG3 PRO A 21 12.238 -22.280 4.412 1.00 0.00 H new ATOM 0 HD2 PRO A 21 11.556 -20.306 2.617 1.00 0.00 H new ATOM 0 HD3 PRO A 21 10.343 -21.269 3.436 1.00 0.00 H new ATOM 328 N MET A 22 12.547 -17.568 4.679 1.00 0.00 N ATOM 329 CA MET A 22 13.501 -16.472 4.686 1.00 0.00 C ATOM 330 C MET A 22 12.869 -15.198 5.250 1.00 0.00 C ATOM 331 O MET A 22 13.458 -14.475 6.050 1.00 0.00 O ATOM 332 CB MET A 22 13.989 -16.211 3.259 1.00 0.00 C ATOM 333 CG MET A 22 14.509 -17.498 2.614 1.00 0.00 C ATOM 334 SD MET A 22 16.294 -17.504 2.617 1.00 0.00 S ATOM 335 CE MET A 22 16.597 -18.773 3.836 1.00 0.00 C ATOM 0 H MET A 22 12.120 -17.756 3.772 1.00 0.00 H new ATOM 0 HA MET A 22 14.341 -16.751 5.322 1.00 0.00 H new ATOM 0 HB2 MET A 22 13.174 -15.804 2.661 1.00 0.00 H new ATOM 0 HB3 MET A 22 14.780 -15.461 3.273 1.00 0.00 H new ATOM 0 HG2 MET A 22 14.133 -18.365 3.158 1.00 0.00 H new ATOM 0 HG3 MET A 22 14.139 -17.578 1.592 1.00 0.00 H new ATOM 0 HE1 MET A 22 17.671 -18.907 3.963 1.00 0.00 H new ATOM 0 HE2 MET A 22 16.153 -18.478 4.787 1.00 0.00 H new ATOM 0 HE3 MET A 22 16.151 -19.711 3.504 1.00 0.00 H new ATOM 345 N TYR A 23 11.637 -14.936 4.807 1.00 0.00 N ATOM 346 CA TYR A 23 10.902 -13.766 5.245 1.00 0.00 C ATOM 347 C TYR A 23 10.306 -14.016 6.623 1.00 0.00 C ATOM 348 O TYR A 23 9.610 -15.015 6.798 1.00 0.00 O ATOM 349 CB TYR A 23 9.806 -13.448 4.231 1.00 0.00 C ATOM 350 CG TYR A 23 9.289 -12.032 4.328 1.00 0.00 C ATOM 351 CD1 TYR A 23 9.939 -11.001 3.640 1.00 0.00 C ATOM 352 CD2 TYR A 23 8.158 -11.752 5.105 1.00 0.00 C ATOM 353 CE1 TYR A 23 9.460 -9.688 3.730 1.00 0.00 C ATOM 354 CE2 TYR A 23 7.679 -10.439 5.195 1.00 0.00 C ATOM 355 CZ TYR A 23 8.330 -9.408 4.507 1.00 0.00 C ATOM 356 OH TYR A 23 7.863 -8.129 4.595 1.00 0.00 O ATOM 0 H TYR A 23 11.134 -15.525 4.144 1.00 0.00 H new ATOM 0 HA TYR A 23 11.576 -12.912 5.313 1.00 0.00 H new ATOM 0 HB2 TYR A 23 10.192 -13.618 3.226 1.00 0.00 H new ATOM 0 HB3 TYR A 23 8.976 -14.140 4.375 1.00 0.00 H new ATOM 0 HD1 TYR A 23 10.810 -11.218 3.040 1.00 0.00 H new ATOM 0 HD2 TYR A 23 7.656 -12.548 5.634 1.00 0.00 H new ATOM 0 HE1 TYR A 23 9.962 -8.892 3.200 1.00 0.00 H new ATOM 0 HE2 TYR A 23 6.808 -10.222 5.795 1.00 0.00 H new ATOM 0 HH TYR A 23 7.337 -7.917 3.796 1.00 0.00 H new ATOM 366 N GLU A 24 10.583 -13.121 7.560 1.00 0.00 N ATOM 367 CA GLU A 24 10.064 -13.265 8.909 1.00 0.00 C ATOM 368 C GLU A 24 9.264 -12.023 9.306 1.00 0.00 C ATOM 369 O GLU A 24 8.177 -12.135 9.871 1.00 0.00 O ATOM 370 CB GLU A 24 11.194 -13.531 9.906 1.00 0.00 C ATOM 371 CG GLU A 24 11.978 -14.788 9.524 1.00 0.00 C ATOM 372 CD GLU A 24 11.961 -15.811 10.661 1.00 0.00 C ATOM 373 OE1 GLU A 24 10.918 -15.881 11.346 1.00 0.00 O ATOM 374 OE2 GLU A 24 12.992 -16.501 10.819 1.00 0.00 O ATOM 0 H GLU A 24 11.160 -12.293 7.411 1.00 0.00 H new ATOM 0 HA GLU A 24 9.395 -14.126 8.930 1.00 0.00 H new ATOM 0 HB2 GLU A 24 11.867 -12.674 9.936 1.00 0.00 H new ATOM 0 HB3 GLU A 24 10.780 -13.647 10.908 1.00 0.00 H new ATOM 0 HG2 GLU A 24 11.548 -15.230 8.626 1.00 0.00 H new ATOM 0 HG3 GLU A 24 13.008 -14.521 9.286 1.00 0.00 H new ATOM 381 N ALA A 25 9.832 -10.868 8.994 1.00 0.00 N ATOM 382 CA ALA A 25 9.185 -9.606 9.311 1.00 0.00 C ATOM 383 C ALA A 25 9.807 -8.493 8.464 1.00 0.00 C ATOM 384 O ALA A 25 10.939 -8.584 7.996 1.00 0.00 O ATOM 385 CB ALA A 25 9.305 -9.333 10.811 1.00 0.00 C ATOM 0 H ALA A 25 10.733 -10.779 8.525 1.00 0.00 H new ATOM 0 HA ALA A 25 8.122 -9.648 9.072 1.00 0.00 H new ATOM 0 HB1 ALA A 25 8.820 -8.386 11.049 1.00 0.00 H new ATOM 0 HB2 ALA A 25 8.823 -10.137 11.367 1.00 0.00 H new ATOM 0 HB3 ALA A 25 10.358 -9.280 11.088 1.00 0.00 H new ATOM 391 N PRO A 26 9.028 -7.424 8.278 1.00 0.00 N ATOM 392 CA PRO A 26 9.414 -6.257 7.514 1.00 0.00 C ATOM 393 C PRO A 26 10.583 -5.563 8.198 1.00 0.00 C ATOM 394 O PRO A 26 11.006 -6.018 9.259 1.00 0.00 O ATOM 395 CB PRO A 26 8.174 -5.365 7.509 1.00 0.00 C ATOM 396 CG PRO A 26 7.363 -5.800 8.669 1.00 0.00 C ATOM 397 CD PRO A 26 7.692 -7.284 8.814 1.00 0.00 C ATOM 0 HA PRO A 26 9.737 -6.500 6.502 1.00 0.00 H new ATOM 0 HB2 PRO A 26 8.448 -4.313 7.595 1.00 0.00 H new ATOM 0 HB3 PRO A 26 7.617 -5.474 6.579 1.00 0.00 H new ATOM 0 HG2 PRO A 26 7.624 -5.244 9.569 1.00 0.00 H new ATOM 0 HG3 PRO A 26 6.299 -5.642 8.494 1.00 0.00 H new ATOM 0 HD2 PRO A 26 7.650 -7.598 9.857 1.00 0.00 H new ATOM 0 HD3 PRO A 26 6.980 -7.902 8.267 1.00 0.00 H new ATOM 405 N SER A 27 11.076 -4.494 7.590 1.00 0.00 N ATOM 406 CA SER A 27 12.193 -3.759 8.158 1.00 0.00 C ATOM 407 C SER A 27 12.018 -2.260 7.904 1.00 0.00 C ATOM 408 O SER A 27 12.971 -1.492 8.020 1.00 0.00 O ATOM 409 CB SER A 27 13.523 -4.243 7.578 1.00 0.00 C ATOM 410 OG SER A 27 14.467 -4.560 8.597 1.00 0.00 O ATOM 0 H SER A 27 10.722 -4.119 6.710 1.00 0.00 H new ATOM 0 HA SER A 27 12.209 -3.939 9.233 1.00 0.00 H new ATOM 0 HB2 SER A 27 13.349 -5.123 6.959 1.00 0.00 H new ATOM 0 HB3 SER A 27 13.937 -3.472 6.928 1.00 0.00 H new ATOM 0 HG SER A 27 15.302 -4.867 8.186 1.00 0.00 H new ATOM 416 N ILE A 28 10.792 -1.890 7.563 1.00 0.00 N ATOM 417 CA ILE A 28 10.479 -0.498 7.291 1.00 0.00 C ATOM 418 C ILE A 28 11.602 0.119 6.455 1.00 0.00 C ATOM 419 O ILE A 28 12.167 1.146 6.828 1.00 0.00 O ATOM 420 CB ILE A 28 10.201 0.253 8.595 1.00 0.00 C ATOM 421 CG1 ILE A 28 11.368 0.105 9.573 1.00 0.00 C ATOM 422 CG2 ILE A 28 8.875 -0.196 9.214 1.00 0.00 C ATOM 423 CD1 ILE A 28 11.181 1.011 10.792 1.00 0.00 C ATOM 0 H ILE A 28 10.004 -2.531 7.469 1.00 0.00 H new ATOM 0 HA ILE A 28 9.564 -0.421 6.704 1.00 0.00 H new ATOM 0 HB ILE A 28 10.107 1.314 8.364 1.00 0.00 H new ATOM 0 HG12 ILE A 28 11.447 -0.933 9.896 1.00 0.00 H new ATOM 0 HG13 ILE A 28 12.302 0.354 9.070 1.00 0.00 H new ATOM 0 HG21 ILE A 28 8.701 0.353 10.140 1.00 0.00 H new ATOM 0 HG22 ILE A 28 8.062 0.003 8.516 1.00 0.00 H new ATOM 0 HG23 ILE A 28 8.916 -1.264 9.428 1.00 0.00 H new ATOM 0 HD11 ILE A 28 12.024 0.886 11.471 1.00 0.00 H new ATOM 0 HD12 ILE A 28 11.127 2.050 10.468 1.00 0.00 H new ATOM 0 HD13 ILE A 28 10.258 0.743 11.307 1.00 0.00 H new ATOM 435 N THR A 29 11.893 -0.534 5.339 1.00 0.00 N ATOM 436 CA THR A 29 12.938 -0.063 4.447 1.00 0.00 C ATOM 437 C THR A 29 12.799 -0.717 3.071 1.00 0.00 C ATOM 438 O THR A 29 13.798 -1.052 2.435 1.00 0.00 O ATOM 439 CB THR A 29 14.288 -0.333 5.115 1.00 0.00 C ATOM 440 OG1 THR A 29 14.403 0.697 6.093 1.00 0.00 O ATOM 441 CG2 THR A 29 15.467 -0.085 4.172 1.00 0.00 C ATOM 0 H THR A 29 11.423 -1.386 5.033 1.00 0.00 H new ATOM 0 HA THR A 29 12.855 1.010 4.272 1.00 0.00 H new ATOM 0 HB THR A 29 14.318 -1.363 5.471 1.00 0.00 H new ATOM 0 HG1 THR A 29 13.662 1.330 5.990 1.00 0.00 H new ATOM 0 HG21 THR A 29 16.401 -0.291 4.695 1.00 0.00 H new ATOM 0 HG22 THR A 29 15.384 -0.741 3.305 1.00 0.00 H new ATOM 0 HG23 THR A 29 15.457 0.954 3.843 1.00 0.00 H new ATOM 449 N ASP A 30 11.553 -0.878 2.651 1.00 0.00 N ATOM 450 CA ASP A 30 11.271 -1.486 1.362 1.00 0.00 C ATOM 451 C ASP A 30 10.043 -0.815 0.744 1.00 0.00 C ATOM 452 O ASP A 30 10.056 -0.448 -0.431 1.00 0.00 O ATOM 453 CB ASP A 30 10.968 -2.979 1.511 1.00 0.00 C ATOM 454 CG ASP A 30 10.616 -3.701 0.209 1.00 0.00 C ATOM 455 OD1 ASP A 30 11.546 -3.893 -0.603 1.00 0.00 O ATOM 456 OD2 ASP A 30 9.424 -4.043 0.054 1.00 0.00 O ATOM 0 H ASP A 30 10.727 -0.598 3.180 1.00 0.00 H new ATOM 0 HA ASP A 30 12.149 -1.357 0.730 1.00 0.00 H new ATOM 0 HB2 ASP A 30 11.835 -3.467 1.957 1.00 0.00 H new ATOM 0 HB3 ASP A 30 10.140 -3.098 2.210 1.00 0.00 H new ATOM 461 N GLY A 31 9.010 -0.674 1.562 1.00 0.00 N ATOM 462 CA GLY A 31 7.777 -0.052 1.111 1.00 0.00 C ATOM 463 C GLY A 31 8.059 1.271 0.396 1.00 0.00 C ATOM 464 O GLY A 31 7.637 1.468 -0.742 1.00 0.00 O ATOM 0 H GLY A 31 9.002 -0.980 2.535 1.00 0.00 H new ATOM 0 HA2 GLY A 31 7.250 -0.728 0.438 1.00 0.00 H new ATOM 0 HA3 GLY A 31 7.121 0.124 1.964 1.00 0.00 H new ATOM 468 N LYS A 32 8.771 2.144 1.094 1.00 0.00 N ATOM 469 CA LYS A 32 9.114 3.442 0.541 1.00 0.00 C ATOM 470 C LYS A 32 9.599 3.266 -0.899 1.00 0.00 C ATOM 471 O LYS A 32 8.890 3.609 -1.843 1.00 0.00 O ATOM 472 CB LYS A 32 10.117 4.161 1.445 1.00 0.00 C ATOM 473 CG LYS A 32 11.164 3.186 1.987 1.00 0.00 C ATOM 474 CD LYS A 32 12.578 3.631 1.607 1.00 0.00 C ATOM 475 CE LYS A 32 13.543 3.452 2.781 1.00 0.00 C ATOM 476 NZ LYS A 32 14.844 4.090 2.483 1.00 0.00 N ATOM 0 H LYS A 32 9.120 1.977 2.038 1.00 0.00 H new ATOM 0 HA LYS A 32 8.235 4.085 0.505 1.00 0.00 H new ATOM 0 HB2 LYS A 32 10.610 4.956 0.886 1.00 0.00 H new ATOM 0 HB3 LYS A 32 9.591 4.633 2.275 1.00 0.00 H new ATOM 0 HG2 LYS A 32 11.079 3.121 3.072 1.00 0.00 H new ATOM 0 HG3 LYS A 32 10.975 2.188 1.592 1.00 0.00 H new ATOM 0 HD2 LYS A 32 12.928 3.052 0.752 1.00 0.00 H new ATOM 0 HD3 LYS A 32 12.564 4.677 1.299 1.00 0.00 H new ATOM 0 HE2 LYS A 32 13.114 3.890 3.682 1.00 0.00 H new ATOM 0 HE3 LYS A 32 13.689 2.391 2.981 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 15.487 3.960 3.290 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 15.259 3.653 1.635 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 14.702 5.106 2.315 1.00 0.00 H new ATOM 490 N ILE A 33 10.806 2.733 -1.022 1.00 0.00 N ATOM 491 CA ILE A 33 11.395 2.507 -2.331 1.00 0.00 C ATOM 492 C ILE A 33 10.364 1.834 -3.239 1.00 0.00 C ATOM 493 O ILE A 33 10.094 2.313 -4.340 1.00 0.00 O ATOM 494 CB ILE A 33 12.704 1.727 -2.202 1.00 0.00 C ATOM 495 CG1 ILE A 33 13.868 2.661 -1.865 1.00 0.00 C ATOM 496 CG2 ILE A 33 12.977 0.902 -3.461 1.00 0.00 C ATOM 497 CD1 ILE A 33 14.906 1.952 -0.994 1.00 0.00 C ATOM 0 H ILE A 33 11.392 2.451 -0.236 1.00 0.00 H new ATOM 0 HA ILE A 33 11.661 3.455 -2.798 1.00 0.00 H new ATOM 0 HB ILE A 33 12.604 1.026 -1.373 1.00 0.00 H new ATOM 0 HG12 ILE A 33 14.337 3.009 -2.785 1.00 0.00 H new ATOM 0 HG13 ILE A 33 13.493 3.542 -1.345 1.00 0.00 H new ATOM 0 HG21 ILE A 33 13.914 0.357 -3.343 1.00 0.00 H new ATOM 0 HG22 ILE A 33 12.163 0.194 -3.616 1.00 0.00 H new ATOM 0 HG23 ILE A 33 13.050 1.566 -4.322 1.00 0.00 H new ATOM 0 HD11 ILE A 33 15.722 2.638 -0.769 1.00 0.00 H new ATOM 0 HD12 ILE A 33 14.439 1.626 -0.064 1.00 0.00 H new ATOM 0 HD13 ILE A 33 15.297 1.085 -1.527 1.00 0.00 H new ATOM 509 N PHE A 34 9.817 0.733 -2.745 1.00 0.00 N ATOM 510 CA PHE A 34 8.822 -0.012 -3.499 1.00 0.00 C ATOM 511 C PHE A 34 7.632 0.878 -3.865 1.00 0.00 C ATOM 512 O PHE A 34 6.854 0.544 -4.756 1.00 0.00 O ATOM 513 CB PHE A 34 8.336 -1.148 -2.597 1.00 0.00 C ATOM 514 CG PHE A 34 7.026 -1.791 -3.058 1.00 0.00 C ATOM 515 CD1 PHE A 34 6.989 -2.504 -4.215 1.00 0.00 C ATOM 516 CD2 PHE A 34 5.899 -1.649 -2.310 1.00 0.00 C ATOM 517 CE1 PHE A 34 5.773 -3.101 -4.643 1.00 0.00 C ATOM 518 CE2 PHE A 34 4.684 -2.246 -2.737 1.00 0.00 C ATOM 519 CZ PHE A 34 4.647 -2.959 -3.895 1.00 0.00 C ATOM 0 H PHE A 34 10.044 0.339 -1.832 1.00 0.00 H new ATOM 0 HA PHE A 34 9.260 -0.386 -4.425 1.00 0.00 H new ATOM 0 HB2 PHE A 34 9.108 -1.916 -2.549 1.00 0.00 H new ATOM 0 HB3 PHE A 34 8.204 -0.764 -1.585 1.00 0.00 H new ATOM 0 HD1 PHE A 34 7.884 -2.617 -4.809 1.00 0.00 H new ATOM 0 HD2 PHE A 34 5.928 -1.082 -1.391 1.00 0.00 H new ATOM 0 HE1 PHE A 34 5.743 -3.667 -5.562 1.00 0.00 H new ATOM 0 HE2 PHE A 34 3.789 -2.134 -2.143 1.00 0.00 H new ATOM 0 HZ PHE A 34 3.722 -3.413 -4.220 1.00 0.00 H new ATOM 529 N PHE A 35 7.529 1.993 -3.157 1.00 0.00 N ATOM 530 CA PHE A 35 6.447 2.934 -3.395 1.00 0.00 C ATOM 531 C PHE A 35 6.959 4.190 -4.103 1.00 0.00 C ATOM 532 O PHE A 35 6.242 5.184 -4.207 1.00 0.00 O ATOM 533 CB PHE A 35 5.885 3.326 -2.027 1.00 0.00 C ATOM 534 CG PHE A 35 4.747 4.346 -2.092 1.00 0.00 C ATOM 535 CD1 PHE A 35 3.530 3.977 -2.573 1.00 0.00 C ATOM 536 CD2 PHE A 35 4.952 5.622 -1.668 1.00 0.00 C ATOM 537 CE1 PHE A 35 2.473 4.924 -2.632 1.00 0.00 C ATOM 538 CE2 PHE A 35 3.896 6.569 -1.727 1.00 0.00 C ATOM 539 CZ PHE A 35 2.678 6.200 -2.208 1.00 0.00 C ATOM 0 H PHE A 35 8.177 2.266 -2.418 1.00 0.00 H new ATOM 0 HA PHE A 35 5.688 2.476 -4.029 1.00 0.00 H new ATOM 0 HB2 PHE A 35 5.527 2.429 -1.522 1.00 0.00 H new ATOM 0 HB3 PHE A 35 6.691 3.735 -1.418 1.00 0.00 H new ATOM 0 HD1 PHE A 35 3.367 2.964 -2.910 1.00 0.00 H new ATOM 0 HD2 PHE A 35 5.919 5.915 -1.286 1.00 0.00 H new ATOM 0 HE1 PHE A 35 1.506 4.631 -3.014 1.00 0.00 H new ATOM 0 HE2 PHE A 35 4.059 7.582 -1.390 1.00 0.00 H new ATOM 0 HZ PHE A 35 1.874 6.920 -2.253 1.00 0.00 H new ATOM 549 N ASN A 36 8.196 4.105 -4.570 1.00 0.00 N ATOM 550 CA ASN A 36 8.812 5.223 -5.264 1.00 0.00 C ATOM 551 C ASN A 36 9.683 4.692 -6.405 1.00 0.00 C ATOM 552 O ASN A 36 10.611 5.367 -6.848 1.00 0.00 O ATOM 553 CB ASN A 36 9.708 6.030 -4.322 1.00 0.00 C ATOM 554 CG ASN A 36 8.871 6.818 -3.312 1.00 0.00 C ATOM 555 OD1 ASN A 36 8.762 8.032 -3.369 1.00 0.00 O ATOM 556 ND2 ASN A 36 8.289 6.062 -2.385 1.00 0.00 N ATOM 0 H ASN A 36 8.788 3.279 -4.481 1.00 0.00 H new ATOM 0 HA ASN A 36 8.016 5.864 -5.643 1.00 0.00 H new ATOM 0 HB2 ASN A 36 10.385 5.359 -3.794 1.00 0.00 H new ATOM 0 HB3 ASN A 36 10.327 6.716 -4.901 1.00 0.00 H new ATOM 0 HD21 ASN A 36 7.710 6.494 -1.665 1.00 0.00 H new ATOM 0 HD22 ASN A 36 8.421 5.051 -2.395 1.00 0.00 H new ATOM 563 N ARG A 37 9.352 3.488 -6.848 1.00 0.00 N ATOM 564 CA ARG A 37 10.092 2.859 -7.929 1.00 0.00 C ATOM 565 C ARG A 37 9.291 2.925 -9.230 1.00 0.00 C ATOM 566 O ARG A 37 8.282 2.238 -9.378 1.00 0.00 O ATOM 567 CB ARG A 37 10.404 1.397 -7.604 1.00 0.00 C ATOM 568 CG ARG A 37 11.405 0.814 -8.604 1.00 0.00 C ATOM 569 CD ARG A 37 12.330 -0.199 -7.927 1.00 0.00 C ATOM 570 NE ARG A 37 13.721 -0.007 -8.395 1.00 0.00 N ATOM 571 CZ ARG A 37 14.166 -0.381 -9.602 1.00 0.00 C ATOM 572 NH1 ARG A 37 13.333 -0.970 -10.471 1.00 0.00 N ATOM 573 NH2 ARG A 37 15.444 -0.166 -9.941 1.00 0.00 N ATOM 0 H ARG A 37 8.581 2.931 -6.478 1.00 0.00 H new ATOM 0 HA ARG A 37 11.030 3.402 -8.048 1.00 0.00 H new ATOM 0 HB2 ARG A 37 10.808 1.324 -6.594 1.00 0.00 H new ATOM 0 HB3 ARG A 37 9.484 0.812 -7.622 1.00 0.00 H new ATOM 0 HG2 ARG A 37 10.869 0.332 -9.422 1.00 0.00 H new ATOM 0 HG3 ARG A 37 11.998 1.618 -9.041 1.00 0.00 H new ATOM 0 HD2 ARG A 37 12.282 -0.080 -6.845 1.00 0.00 H new ATOM 0 HD3 ARG A 37 11.999 -1.213 -8.152 1.00 0.00 H new ATOM 0 HE ARG A 37 14.382 0.438 -7.759 1.00 0.00 H new ATOM 0 HH11 ARG A 37 12.360 -1.134 -10.214 1.00 0.00 H new ATOM 0 HH12 ARG A 37 13.672 -1.255 -11.390 1.00 0.00 H new ATOM 0 HH21 ARG A 37 16.078 0.282 -9.280 1.00 0.00 H new ATOM 0 HH22 ARG A 37 15.783 -0.451 -10.860 1.00 0.00 H new ATOM 587 N LYS A 38 9.770 3.760 -10.141 1.00 0.00 N ATOM 588 CA LYS A 38 9.111 3.925 -11.425 1.00 0.00 C ATOM 589 C LYS A 38 9.163 2.604 -12.194 1.00 0.00 C ATOM 590 O LYS A 38 10.161 2.300 -12.847 1.00 0.00 O ATOM 591 CB LYS A 38 9.714 5.106 -12.189 1.00 0.00 C ATOM 592 CG LYS A 38 9.168 5.171 -13.617 1.00 0.00 C ATOM 593 CD LYS A 38 10.102 5.975 -14.524 1.00 0.00 C ATOM 594 CE LYS A 38 10.239 7.417 -14.032 1.00 0.00 C ATOM 595 NZ LYS A 38 8.918 8.084 -14.009 1.00 0.00 N ATOM 0 H LYS A 38 10.607 4.329 -10.015 1.00 0.00 H new ATOM 0 HA LYS A 38 8.058 4.170 -11.284 1.00 0.00 H new ATOM 0 HB2 LYS A 38 9.488 6.035 -11.667 1.00 0.00 H new ATOM 0 HB3 LYS A 38 10.800 5.011 -12.215 1.00 0.00 H new ATOM 0 HG2 LYS A 38 9.051 4.162 -14.012 1.00 0.00 H new ATOM 0 HG3 LYS A 38 8.178 5.628 -13.612 1.00 0.00 H new ATOM 0 HD2 LYS A 38 11.084 5.502 -14.552 1.00 0.00 H new ATOM 0 HD3 LYS A 38 9.717 5.970 -15.544 1.00 0.00 H new ATOM 0 HE2 LYS A 38 10.676 7.427 -13.033 1.00 0.00 H new ATOM 0 HE3 LYS A 38 10.919 7.967 -14.683 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 9.049 9.111 -13.906 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 8.414 7.887 -14.897 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 8.361 7.724 -13.208 1.00 0.00 H new ATOM 609 N PHE A 39 8.076 1.853 -12.092 1.00 0.00 N ATOM 610 CA PHE A 39 7.985 0.571 -12.770 1.00 0.00 C ATOM 611 C PHE A 39 7.177 0.691 -14.063 1.00 0.00 C ATOM 612 O PHE A 39 6.459 1.669 -14.262 1.00 0.00 O ATOM 613 CB PHE A 39 7.266 -0.388 -11.819 1.00 0.00 C ATOM 614 CG PHE A 39 5.918 0.131 -11.314 1.00 0.00 C ATOM 615 CD1 PHE A 39 4.820 0.061 -12.114 1.00 0.00 C ATOM 616 CD2 PHE A 39 5.818 0.663 -10.067 1.00 0.00 C ATOM 617 CE1 PHE A 39 3.569 0.542 -11.645 1.00 0.00 C ATOM 618 CE2 PHE A 39 4.567 1.145 -9.598 1.00 0.00 C ATOM 619 CZ PHE A 39 3.469 1.074 -10.398 1.00 0.00 C ATOM 0 H PHE A 39 7.251 2.108 -11.550 1.00 0.00 H new ATOM 0 HA PHE A 39 8.982 0.215 -13.029 1.00 0.00 H new ATOM 0 HB2 PHE A 39 7.110 -1.339 -12.328 1.00 0.00 H new ATOM 0 HB3 PHE A 39 7.911 -0.586 -10.963 1.00 0.00 H new ATOM 0 HD1 PHE A 39 4.900 -0.360 -13.105 1.00 0.00 H new ATOM 0 HD2 PHE A 39 6.690 0.719 -9.433 1.00 0.00 H new ATOM 0 HE1 PHE A 39 2.697 0.485 -12.279 1.00 0.00 H new ATOM 0 HE2 PHE A 39 4.488 1.567 -8.607 1.00 0.00 H new ATOM 0 HZ PHE A 39 2.517 1.440 -10.042 1.00 0.00 H new ATOM 629 N LYS A 40 7.320 -0.319 -14.909 1.00 0.00 N ATOM 630 CA LYS A 40 6.612 -0.340 -16.177 1.00 0.00 C ATOM 631 C LYS A 40 5.460 -1.344 -16.097 1.00 0.00 C ATOM 632 O LYS A 40 5.606 -2.416 -15.512 1.00 0.00 O ATOM 633 CB LYS A 40 7.583 -0.608 -17.329 1.00 0.00 C ATOM 634 CG LYS A 40 7.195 0.197 -18.571 1.00 0.00 C ATOM 635 CD LYS A 40 7.991 -0.265 -19.794 1.00 0.00 C ATOM 636 CE LYS A 40 7.101 -0.328 -21.036 1.00 0.00 C ATOM 637 NZ LYS A 40 6.799 1.036 -21.526 1.00 0.00 N ATOM 0 H LYS A 40 7.916 -1.129 -14.740 1.00 0.00 H new ATOM 0 HA LYS A 40 6.171 0.635 -16.383 1.00 0.00 H new ATOM 0 HB2 LYS A 40 8.596 -0.347 -17.024 1.00 0.00 H new ATOM 0 HB3 LYS A 40 7.586 -1.672 -17.567 1.00 0.00 H new ATOM 0 HG2 LYS A 40 6.128 0.084 -18.763 1.00 0.00 H new ATOM 0 HG3 LYS A 40 7.377 1.257 -18.393 1.00 0.00 H new ATOM 0 HD2 LYS A 40 8.821 0.419 -19.971 1.00 0.00 H new ATOM 0 HD3 LYS A 40 8.423 -1.247 -19.601 1.00 0.00 H new ATOM 0 HE2 LYS A 40 7.599 -0.900 -21.819 1.00 0.00 H new ATOM 0 HE3 LYS A 40 6.174 -0.850 -20.800 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 6.194 0.976 -22.370 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 6.305 1.570 -20.783 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 7.686 1.521 -21.770 1.00 0.00 H new ATOM 651 N THR A 41 4.341 -0.961 -16.694 1.00 0.00 N ATOM 652 CA THR A 41 3.165 -1.814 -16.697 1.00 0.00 C ATOM 653 C THR A 41 3.128 -2.666 -17.967 1.00 0.00 C ATOM 654 O THR A 41 3.662 -2.303 -19.013 1.00 0.00 O ATOM 655 CB THR A 41 1.933 -0.923 -16.528 1.00 0.00 C ATOM 656 OG1 THR A 41 1.872 -0.180 -17.742 1.00 0.00 O ATOM 657 CG2 THR A 41 2.126 0.144 -15.448 1.00 0.00 C ATOM 0 H THR A 41 4.224 -0.071 -17.179 1.00 0.00 H new ATOM 0 HA THR A 41 3.188 -2.522 -15.868 1.00 0.00 H new ATOM 0 HB THR A 41 1.070 -1.541 -16.279 1.00 0.00 H new ATOM 0 HG1 THR A 41 1.992 0.773 -17.549 1.00 0.00 H new ATOM 0 HG21 THR A 41 1.223 0.749 -15.369 1.00 0.00 H new ATOM 0 HG22 THR A 41 2.325 -0.339 -14.491 1.00 0.00 H new ATOM 0 HG23 THR A 41 2.968 0.783 -15.714 1.00 0.00 H new ATOM 665 N PRO A 42 2.476 -3.825 -17.851 1.00 0.00 N ATOM 666 CA PRO A 42 2.316 -4.783 -18.923 1.00 0.00 C ATOM 667 C PRO A 42 1.400 -4.205 -19.992 1.00 0.00 C ATOM 668 O PRO A 42 1.188 -4.861 -21.011 1.00 0.00 O ATOM 669 CB PRO A 42 1.684 -6.007 -18.264 1.00 0.00 C ATOM 670 CG PRO A 42 0.848 -5.355 -17.092 1.00 0.00 C ATOM 671 CD PRO A 42 1.836 -4.284 -16.636 1.00 0.00 C ATOM 0 HA PRO A 42 3.257 -5.033 -19.412 1.00 0.00 H new ATOM 0 HB2 PRO A 42 1.051 -6.562 -18.957 1.00 0.00 H new ATOM 0 HB3 PRO A 42 2.435 -6.703 -17.891 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -0.096 -4.933 -17.437 1.00 0.00 H new ATOM 0 HG3 PRO A 42 0.610 -6.067 -16.302 1.00 0.00 H new ATOM 0 HD2 PRO A 42 1.325 -3.467 -16.126 1.00 0.00 H new ATOM 0 HD3 PRO A 42 2.565 -4.692 -15.935 1.00 0.00 H new ATOM 679 N SER A 43 0.882 -3.010 -19.748 1.00 0.00 N ATOM 680 CA SER A 43 -0.006 -2.369 -20.703 1.00 0.00 C ATOM 681 C SER A 43 0.722 -1.221 -21.405 1.00 0.00 C ATOM 682 O SER A 43 0.086 -0.306 -21.927 1.00 0.00 O ATOM 683 CB SER A 43 -1.273 -1.855 -20.017 1.00 0.00 C ATOM 684 OG SER A 43 -1.164 -0.480 -19.657 1.00 0.00 O ATOM 0 H SER A 43 1.060 -2.469 -18.902 1.00 0.00 H new ATOM 0 HA SER A 43 -0.303 -3.110 -21.446 1.00 0.00 H new ATOM 0 HB2 SER A 43 -2.126 -1.989 -20.683 1.00 0.00 H new ATOM 0 HB3 SER A 43 -1.469 -2.449 -19.124 1.00 0.00 H new ATOM 0 HG SER A 43 -1.062 0.063 -20.466 1.00 0.00 H new ATOM 690 N GLY A 44 2.044 -1.307 -21.397 1.00 0.00 N ATOM 691 CA GLY A 44 2.864 -0.287 -22.027 1.00 0.00 C ATOM 692 C GLY A 44 2.524 1.103 -21.484 1.00 0.00 C ATOM 693 O GLY A 44 1.768 1.848 -22.106 1.00 0.00 O ATOM 0 H GLY A 44 2.568 -2.068 -20.964 1.00 0.00 H new ATOM 0 HA2 GLY A 44 3.918 -0.502 -21.851 1.00 0.00 H new ATOM 0 HA3 GLY A 44 2.711 -0.307 -23.106 1.00 0.00 H new ATOM 697 N LYS A 45 3.098 1.409 -20.330 1.00 0.00 N ATOM 698 CA LYS A 45 2.865 2.696 -19.697 1.00 0.00 C ATOM 699 C LYS A 45 3.475 2.687 -18.293 1.00 0.00 C ATOM 700 O LYS A 45 2.956 2.030 -17.392 1.00 0.00 O ATOM 701 CB LYS A 45 1.375 3.041 -19.718 1.00 0.00 C ATOM 702 CG LYS A 45 1.017 3.996 -18.576 1.00 0.00 C ATOM 703 CD LYS A 45 -0.105 4.949 -18.991 1.00 0.00 C ATOM 704 CE LYS A 45 -1.080 5.184 -17.834 1.00 0.00 C ATOM 705 NZ LYS A 45 -1.631 6.556 -17.892 1.00 0.00 N ATOM 0 H LYS A 45 3.724 0.788 -19.817 1.00 0.00 H new ATOM 0 HA LYS A 45 3.360 3.491 -20.255 1.00 0.00 H new ATOM 0 HB2 LYS A 45 1.117 3.498 -20.673 1.00 0.00 H new ATOM 0 HB3 LYS A 45 0.785 2.128 -19.632 1.00 0.00 H new ATOM 0 HG2 LYS A 45 0.708 3.423 -17.701 1.00 0.00 H new ATOM 0 HG3 LYS A 45 1.898 4.569 -18.287 1.00 0.00 H new ATOM 0 HD2 LYS A 45 0.320 5.900 -19.312 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -0.641 4.535 -19.845 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -1.891 4.458 -17.881 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -0.569 5.031 -16.883 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -2.290 6.699 -17.101 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -0.855 7.245 -17.825 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -2.136 6.690 -18.791 1.00 0.00 H new ATOM 719 N GLU A 46 4.567 3.423 -18.153 1.00 0.00 N ATOM 720 CA GLU A 46 5.253 3.508 -16.874 1.00 0.00 C ATOM 721 C GLU A 46 4.356 4.182 -15.834 1.00 0.00 C ATOM 722 O GLU A 46 3.484 4.977 -16.183 1.00 0.00 O ATOM 723 CB GLU A 46 6.584 4.250 -17.014 1.00 0.00 C ATOM 724 CG GLU A 46 6.356 5.729 -17.332 1.00 0.00 C ATOM 725 CD GLU A 46 6.230 5.952 -18.840 1.00 0.00 C ATOM 726 OE1 GLU A 46 7.237 5.702 -19.537 1.00 0.00 O ATOM 727 OE2 GLU A 46 5.129 6.368 -19.262 1.00 0.00 O ATOM 0 H GLU A 46 4.994 3.966 -18.903 1.00 0.00 H new ATOM 0 HA GLU A 46 5.473 2.496 -16.534 1.00 0.00 H new ATOM 0 HB2 GLU A 46 7.155 4.157 -16.090 1.00 0.00 H new ATOM 0 HB3 GLU A 46 7.179 3.792 -17.804 1.00 0.00 H new ATOM 0 HG2 GLU A 46 5.452 6.077 -16.832 1.00 0.00 H new ATOM 0 HG3 GLU A 46 7.184 6.321 -16.941 1.00 0.00 H new ATOM 734 N ALA A 47 4.600 3.840 -14.578 1.00 0.00 N ATOM 735 CA ALA A 47 3.825 4.403 -13.485 1.00 0.00 C ATOM 736 C ALA A 47 4.560 4.157 -12.165 1.00 0.00 C ATOM 737 O ALA A 47 5.614 3.523 -12.146 1.00 0.00 O ATOM 738 CB ALA A 47 2.420 3.798 -13.491 1.00 0.00 C ATOM 0 H ALA A 47 5.323 3.180 -14.292 1.00 0.00 H new ATOM 0 HA ALA A 47 3.717 5.481 -13.606 1.00 0.00 H new ATOM 0 HB1 ALA A 47 1.839 4.220 -12.671 1.00 0.00 H new ATOM 0 HB2 ALA A 47 1.930 4.025 -14.438 1.00 0.00 H new ATOM 0 HB3 ALA A 47 2.489 2.717 -13.368 1.00 0.00 H new ATOM 744 N ALA A 48 3.975 4.673 -11.094 1.00 0.00 N ATOM 745 CA ALA A 48 4.561 4.518 -9.774 1.00 0.00 C ATOM 746 C ALA A 48 3.462 4.638 -8.716 1.00 0.00 C ATOM 747 O ALA A 48 2.448 5.298 -8.941 1.00 0.00 O ATOM 748 CB ALA A 48 5.670 5.554 -9.583 1.00 0.00 C ATOM 0 H ALA A 48 3.101 5.199 -11.114 1.00 0.00 H new ATOM 0 HA ALA A 48 5.014 3.532 -9.668 1.00 0.00 H new ATOM 0 HB1 ALA A 48 6.110 5.438 -8.592 1.00 0.00 H new ATOM 0 HB2 ALA A 48 6.439 5.407 -10.341 1.00 0.00 H new ATOM 0 HB3 ALA A 48 5.252 6.556 -9.679 1.00 0.00 H new ATOM 754 N CYS A 49 3.700 3.990 -7.585 1.00 0.00 N ATOM 755 CA CYS A 49 2.743 4.016 -6.492 1.00 0.00 C ATOM 756 C CYS A 49 2.647 5.451 -5.972 1.00 0.00 C ATOM 757 O CYS A 49 1.735 5.781 -5.215 1.00 0.00 O ATOM 758 CB CYS A 49 3.123 3.031 -5.384 1.00 0.00 C ATOM 759 SG CYS A 49 3.308 1.295 -5.930 1.00 0.00 S ATOM 0 H CYS A 49 4.542 3.444 -7.402 1.00 0.00 H new ATOM 0 HA CYS A 49 1.766 3.696 -6.853 1.00 0.00 H new ATOM 0 HB2 CYS A 49 4.060 3.357 -4.933 1.00 0.00 H new ATOM 0 HB3 CYS A 49 2.363 3.073 -4.604 1.00 0.00 H new ATOM 764 N ALA A 50 3.600 6.266 -6.399 1.00 0.00 N ATOM 765 CA ALA A 50 3.634 7.659 -5.986 1.00 0.00 C ATOM 766 C ALA A 50 3.101 8.536 -7.120 1.00 0.00 C ATOM 767 O ALA A 50 3.141 9.763 -7.033 1.00 0.00 O ATOM 768 CB ALA A 50 5.060 8.036 -5.578 1.00 0.00 C ATOM 0 H ALA A 50 4.355 5.989 -7.027 1.00 0.00 H new ATOM 0 HA ALA A 50 2.994 7.818 -5.118 1.00 0.00 H new ATOM 0 HB1 ALA A 50 5.086 9.081 -5.268 1.00 0.00 H new ATOM 0 HB2 ALA A 50 5.381 7.404 -4.750 1.00 0.00 H new ATOM 0 HB3 ALA A 50 5.731 7.892 -6.425 1.00 0.00 H new ATOM 774 N SER A 51 2.612 7.874 -8.158 1.00 0.00 N ATOM 775 CA SER A 51 2.071 8.578 -9.308 1.00 0.00 C ATOM 776 C SER A 51 0.674 9.111 -8.986 1.00 0.00 C ATOM 777 O SER A 51 0.250 10.125 -9.537 1.00 0.00 O ATOM 778 CB SER A 51 2.022 7.668 -10.538 1.00 0.00 C ATOM 779 OG SER A 51 1.076 6.613 -10.383 1.00 0.00 O ATOM 0 H SER A 51 2.579 6.857 -8.227 1.00 0.00 H new ATOM 0 HA SER A 51 2.729 9.417 -9.536 1.00 0.00 H new ATOM 0 HB2 SER A 51 1.765 8.259 -11.417 1.00 0.00 H new ATOM 0 HB3 SER A 51 3.011 7.245 -10.716 1.00 0.00 H new ATOM 0 HG SER A 51 1.549 5.773 -10.206 1.00 0.00 H new ATOM 785 N CYS A 52 -0.003 8.403 -8.093 1.00 0.00 N ATOM 786 CA CYS A 52 -1.344 8.792 -7.690 1.00 0.00 C ATOM 787 C CYS A 52 -1.322 9.111 -6.194 1.00 0.00 C ATOM 788 O CYS A 52 -1.885 10.112 -5.755 1.00 0.00 O ATOM 789 CB CYS A 52 -2.372 7.712 -8.029 1.00 0.00 C ATOM 790 SG CYS A 52 -2.544 7.557 -9.844 1.00 0.00 S ATOM 0 H CYS A 52 0.352 7.562 -7.637 1.00 0.00 H new ATOM 0 HA CYS A 52 -1.651 9.679 -8.245 1.00 0.00 H new ATOM 0 HB2 CYS A 52 -2.063 6.758 -7.602 1.00 0.00 H new ATOM 0 HB3 CYS A 52 -3.335 7.963 -7.585 1.00 0.00 H new ATOM 795 N HIS A 53 -0.660 8.234 -5.440 1.00 0.00 N ATOM 796 CA HIS A 53 -0.531 8.370 -3.994 1.00 0.00 C ATOM 797 C HIS A 53 0.686 9.252 -3.660 1.00 0.00 C ATOM 798 O HIS A 53 1.135 9.278 -2.515 1.00 0.00 O ATOM 799 CB HIS A 53 -0.489 6.970 -3.364 1.00 0.00 C ATOM 800 CG HIS A 53 -1.617 6.030 -3.722 1.00 0.00 C ATOM 801 ND1 HIS A 53 -2.882 6.251 -3.355 1.00 0.00 N ATOM 802 CD2 HIS A 53 -1.624 4.852 -4.430 1.00 0.00 C ATOM 803 CE1 HIS A 53 -3.649 5.250 -3.815 1.00 0.00 C ATOM 804 NE2 HIS A 53 -2.922 4.359 -4.487 1.00 0.00 N ATOM 0 H HIS A 53 -0.197 7.407 -5.818 1.00 0.00 H new ATOM 0 HA HIS A 53 -1.393 8.880 -3.563 1.00 0.00 H new ATOM 0 HB2 HIS A 53 0.451 6.497 -3.648 1.00 0.00 H new ATOM 0 HB3 HIS A 53 -0.473 7.085 -2.280 1.00 0.00 H new ATOM 0 HD1 HIS A 53 -3.212 7.050 -2.813 1.00 0.00 H new ATOM 0 HD2 HIS A 53 -0.757 4.383 -4.872 1.00 0.00 H new ATOM 0 HE1 HIS A 53 -4.715 5.177 -3.661 1.00 0.00 H new ATOM 812 N THR A 54 1.179 9.946 -4.676 1.00 0.00 N ATOM 813 CA THR A 54 2.327 10.819 -4.499 1.00 0.00 C ATOM 814 C THR A 54 3.459 10.073 -3.790 1.00 0.00 C ATOM 815 O THR A 54 3.274 8.948 -3.330 1.00 0.00 O ATOM 816 CB THR A 54 1.860 12.068 -3.749 1.00 0.00 C ATOM 817 OG1 THR A 54 1.226 11.555 -2.581 1.00 0.00 O ATOM 818 CG2 THR A 54 0.741 12.809 -4.485 1.00 0.00 C ATOM 0 H THR A 54 0.804 9.921 -5.624 1.00 0.00 H new ATOM 0 HA THR A 54 2.737 11.133 -5.459 1.00 0.00 H new ATOM 0 HB THR A 54 2.705 12.740 -3.602 1.00 0.00 H new ATOM 0 HG1 THR A 54 1.782 10.848 -2.191 1.00 0.00 H new ATOM 0 HG21 THR A 54 0.447 13.687 -3.910 1.00 0.00 H new ATOM 0 HG22 THR A 54 1.096 13.121 -5.467 1.00 0.00 H new ATOM 0 HG23 THR A 54 -0.117 12.148 -4.602 1.00 0.00 H new ATOM 826 N ASN A 55 4.608 10.731 -3.726 1.00 0.00 N ATOM 827 CA ASN A 55 5.771 10.144 -3.081 1.00 0.00 C ATOM 828 C ASN A 55 5.396 9.707 -1.664 1.00 0.00 C ATOM 829 O ASN A 55 6.030 8.818 -1.097 1.00 0.00 O ATOM 830 CB ASN A 55 6.912 11.158 -2.977 1.00 0.00 C ATOM 831 CG ASN A 55 6.448 12.437 -2.277 1.00 0.00 C ATOM 832 OD1 ASN A 55 6.283 12.489 -1.070 1.00 0.00 O ATOM 833 ND2 ASN A 55 6.248 13.462 -3.101 1.00 0.00 N ATOM 0 H ASN A 55 4.758 11.664 -4.110 1.00 0.00 H new ATOM 0 HA ASN A 55 6.097 9.294 -3.680 1.00 0.00 H new ATOM 0 HB2 ASN A 55 7.744 10.719 -2.426 1.00 0.00 H new ATOM 0 HB3 ASN A 55 7.281 11.398 -3.974 1.00 0.00 H new ATOM 0 HD21 ASN A 55 5.937 14.360 -2.731 1.00 0.00 H new ATOM 0 HD22 ASN A 55 6.405 13.349 -4.102 1.00 0.00 H new ATOM 840 N ASN A 56 4.368 10.351 -1.132 1.00 0.00 N ATOM 841 CA ASN A 56 3.902 10.040 0.208 1.00 0.00 C ATOM 842 C ASN A 56 2.380 9.881 0.190 1.00 0.00 C ATOM 843 O ASN A 56 1.641 10.725 -0.312 1.00 0.00 O ATOM 844 CB ASN A 56 4.248 11.164 1.187 1.00 0.00 C ATOM 845 CG ASN A 56 4.598 10.601 2.566 1.00 0.00 C ATOM 846 OD1 ASN A 56 5.223 9.562 2.701 1.00 0.00 O ATOM 847 ND2 ASN A 56 4.163 11.344 3.580 1.00 0.00 N ATOM 0 H ASN A 56 3.844 11.087 -1.605 1.00 0.00 H new ATOM 0 HA ASN A 56 4.390 9.120 0.529 1.00 0.00 H new ATOM 0 HB2 ASN A 56 5.089 11.741 0.802 1.00 0.00 H new ATOM 0 HB3 ASN A 56 3.404 11.849 1.273 1.00 0.00 H new ATOM 0 HD21 ASN A 56 4.347 11.054 4.540 1.00 0.00 H new ATOM 0 HD22 ASN A 56 3.645 12.204 3.397 1.00 0.00 H new ATOM 854 N PRO A 57 1.923 8.763 0.759 1.00 0.00 N ATOM 855 CA PRO A 57 0.523 8.410 0.854 1.00 0.00 C ATOM 856 C PRO A 57 -0.153 9.281 1.904 1.00 0.00 C ATOM 857 O PRO A 57 -1.261 9.753 1.660 1.00 0.00 O ATOM 858 CB PRO A 57 0.517 6.942 1.275 1.00 0.00 C ATOM 859 CG PRO A 57 1.803 6.851 2.136 1.00 0.00 C ATOM 860 CD PRO A 57 2.763 7.749 1.359 1.00 0.00 C ATOM 0 HA PRO A 57 -0.017 8.561 -0.081 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -0.375 6.684 1.845 1.00 0.00 H new ATOM 0 HB3 PRO A 57 0.552 6.271 0.417 1.00 0.00 H new ATOM 0 HG2 PRO A 57 1.641 7.209 3.153 1.00 0.00 H new ATOM 0 HG3 PRO A 57 2.172 5.828 2.213 1.00 0.00 H new ATOM 0 HD2 PRO A 57 3.509 8.193 2.018 1.00 0.00 H new ATOM 0 HD3 PRO A 57 3.304 7.185 0.600 1.00 0.00 H new ATOM 868 N ALA A 58 0.513 9.472 3.034 1.00 0.00 N ATOM 869 CA ALA A 58 -0.043 10.286 4.101 1.00 0.00 C ATOM 870 C ALA A 58 -0.403 11.667 3.550 1.00 0.00 C ATOM 871 O ALA A 58 -1.178 12.401 4.161 1.00 0.00 O ATOM 872 CB ALA A 58 0.954 10.362 5.259 1.00 0.00 C ATOM 0 H ALA A 58 1.432 9.077 3.233 1.00 0.00 H new ATOM 0 HA ALA A 58 -0.958 9.837 4.488 1.00 0.00 H new ATOM 0 HB1 ALA A 58 0.536 10.973 6.059 1.00 0.00 H new ATOM 0 HB2 ALA A 58 1.153 9.358 5.635 1.00 0.00 H new ATOM 0 HB3 ALA A 58 1.885 10.809 4.909 1.00 0.00 H new ATOM 878 N ASN A 59 0.177 11.979 2.400 1.00 0.00 N ATOM 879 CA ASN A 59 -0.073 13.259 1.759 1.00 0.00 C ATOM 880 C ASN A 59 -1.275 13.129 0.821 1.00 0.00 C ATOM 881 O ASN A 59 -1.781 12.029 0.604 1.00 0.00 O ATOM 882 CB ASN A 59 1.132 13.702 0.926 1.00 0.00 C ATOM 883 CG ASN A 59 1.241 15.227 0.888 1.00 0.00 C ATOM 884 OD1 ASN A 59 0.325 15.950 1.243 1.00 0.00 O ATOM 885 ND2 ASN A 59 2.411 15.675 0.440 1.00 0.00 N ATOM 0 H ASN A 59 0.819 11.368 1.896 1.00 0.00 H new ATOM 0 HA ASN A 59 -0.262 13.996 2.539 1.00 0.00 H new ATOM 0 HB2 ASN A 59 2.044 13.279 1.346 1.00 0.00 H new ATOM 0 HB3 ASN A 59 1.039 13.315 -0.089 1.00 0.00 H new ATOM 0 HD21 ASN A 59 2.583 16.678 0.378 1.00 0.00 H new ATOM 0 HD22 ASN A 59 3.136 15.015 0.159 1.00 0.00 H new ATOM 892 N VAL A 60 -1.696 14.267 0.289 1.00 0.00 N ATOM 893 CA VAL A 60 -2.829 14.295 -0.620 1.00 0.00 C ATOM 894 C VAL A 60 -2.428 13.645 -1.946 1.00 0.00 C ATOM 895 O VAL A 60 -1.347 13.911 -2.470 1.00 0.00 O ATOM 896 CB VAL A 60 -3.333 15.729 -0.785 1.00 0.00 C ATOM 897 CG1 VAL A 60 -4.295 15.839 -1.969 1.00 0.00 C ATOM 898 CG2 VAL A 60 -3.988 16.232 0.503 1.00 0.00 C ATOM 0 H VAL A 60 -1.272 15.177 0.470 1.00 0.00 H new ATOM 0 HA VAL A 60 -3.660 13.719 -0.213 1.00 0.00 H new ATOM 0 HB VAL A 60 -2.472 16.365 -0.993 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -4.639 16.869 -2.064 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -3.782 15.542 -2.884 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -5.151 15.185 -1.804 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -4.338 17.254 0.358 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -4.833 15.592 0.755 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -3.260 16.209 1.314 1.00 0.00 H new ATOM 908 N GLY A 61 -3.320 12.807 -2.452 1.00 0.00 N ATOM 909 CA GLY A 61 -3.073 12.118 -3.707 1.00 0.00 C ATOM 910 C GLY A 61 -3.993 12.643 -4.811 1.00 0.00 C ATOM 911 O GLY A 61 -4.738 13.599 -4.601 1.00 0.00 O ATOM 0 H GLY A 61 -4.216 12.589 -2.015 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -2.032 12.253 -4.001 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -3.231 11.048 -3.576 1.00 0.00 H new ATOM 915 N LYS A 62 -3.910 11.995 -5.964 1.00 0.00 N ATOM 916 CA LYS A 62 -4.725 12.385 -7.102 1.00 0.00 C ATOM 917 C LYS A 62 -4.679 11.280 -8.159 1.00 0.00 C ATOM 918 O LYS A 62 -3.611 10.754 -8.466 1.00 0.00 O ATOM 919 CB LYS A 62 -4.294 13.756 -7.625 1.00 0.00 C ATOM 920 CG LYS A 62 -5.173 14.197 -8.797 1.00 0.00 C ATOM 921 CD LYS A 62 -4.837 15.626 -9.227 1.00 0.00 C ATOM 922 CE LYS A 62 -6.027 16.282 -9.931 1.00 0.00 C ATOM 923 NZ LYS A 62 -5.559 17.239 -10.958 1.00 0.00 N ATOM 0 H LYS A 62 -3.291 11.203 -6.134 1.00 0.00 H new ATOM 0 HA LYS A 62 -5.767 12.498 -6.804 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -4.356 14.491 -6.823 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -3.252 13.717 -7.942 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -5.032 13.518 -9.638 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -6.223 14.137 -8.511 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -4.556 16.216 -8.354 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -3.976 15.615 -9.895 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -6.649 15.517 -10.395 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -6.649 16.799 -9.201 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -6.379 17.675 -11.426 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -4.984 17.979 -10.507 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -4.984 16.737 -11.664 1.00 0.00 H new ATOM 937 N ASN A 63 -5.852 10.962 -8.688 1.00 0.00 N ATOM 938 CA ASN A 63 -5.958 9.929 -9.705 1.00 0.00 C ATOM 939 C ASN A 63 -5.903 10.576 -11.090 1.00 0.00 C ATOM 940 O ASN A 63 -6.566 11.582 -11.336 1.00 0.00 O ATOM 941 CB ASN A 63 -7.285 9.176 -9.588 1.00 0.00 C ATOM 942 CG ASN A 63 -7.407 8.488 -8.227 1.00 0.00 C ATOM 943 OD1 ASN A 63 -6.428 8.199 -7.558 1.00 0.00 O ATOM 944 ND2 ASN A 63 -8.660 8.242 -7.855 1.00 0.00 N ATOM 0 H ASN A 63 -6.736 11.401 -8.432 1.00 0.00 H new ATOM 0 HA ASN A 63 -5.133 9.231 -9.564 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -8.114 9.870 -9.724 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -7.357 8.433 -10.383 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -8.847 7.785 -6.962 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -9.434 8.510 -8.463 1.00 0.00 H new ATOM 951 N ILE A 64 -5.105 9.972 -11.958 1.00 0.00 N ATOM 952 CA ILE A 64 -4.954 10.476 -13.312 1.00 0.00 C ATOM 953 C ILE A 64 -6.080 9.922 -14.187 1.00 0.00 C ATOM 954 O ILE A 64 -6.023 10.017 -15.412 1.00 0.00 O ATOM 955 CB ILE A 64 -3.553 10.169 -13.845 1.00 0.00 C ATOM 956 CG1 ILE A 64 -3.419 8.690 -14.214 1.00 0.00 C ATOM 957 CG2 ILE A 64 -2.478 10.612 -12.850 1.00 0.00 C ATOM 958 CD1 ILE A 64 -1.951 8.305 -14.408 1.00 0.00 C ATOM 0 H ILE A 64 -4.556 9.138 -11.750 1.00 0.00 H new ATOM 0 HA ILE A 64 -5.044 11.562 -13.326 1.00 0.00 H new ATOM 0 HB ILE A 64 -3.401 10.744 -14.759 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -3.860 8.074 -13.430 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -3.976 8.488 -15.129 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -1.492 10.382 -13.254 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -2.559 11.686 -12.680 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -2.616 10.084 -11.906 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -1.883 7.249 -14.670 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -1.520 8.906 -15.209 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -1.402 8.486 -13.484 1.00 0.00 H new ATOM 970 N VAL A 65 -7.077 9.356 -13.524 1.00 0.00 N ATOM 971 CA VAL A 65 -8.215 8.786 -14.226 1.00 0.00 C ATOM 972 C VAL A 65 -9.277 9.868 -14.429 1.00 0.00 C ATOM 973 O VAL A 65 -9.637 10.184 -15.562 1.00 0.00 O ATOM 974 CB VAL A 65 -8.741 7.567 -13.466 1.00 0.00 C ATOM 975 CG1 VAL A 65 -10.049 7.061 -14.079 1.00 0.00 C ATOM 976 CG2 VAL A 65 -7.692 6.455 -13.419 1.00 0.00 C ATOM 0 H VAL A 65 -7.121 9.280 -12.508 1.00 0.00 H new ATOM 0 HA VAL A 65 -7.917 8.433 -15.213 1.00 0.00 H new ATOM 0 HB VAL A 65 -8.948 7.875 -12.441 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -10.401 6.194 -13.520 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -10.800 7.850 -14.036 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -9.879 6.778 -15.118 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -8.092 5.600 -12.873 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -7.439 6.151 -14.435 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -6.797 6.820 -12.916 1.00 0.00 H new ATOM 986 N THR A 66 -9.748 10.407 -13.314 1.00 0.00 N ATOM 987 CA THR A 66 -10.762 11.447 -13.356 1.00 0.00 C ATOM 988 C THR A 66 -10.189 12.771 -12.847 1.00 0.00 C ATOM 989 O THR A 66 -10.642 13.842 -13.247 1.00 0.00 O ATOM 990 CB THR A 66 -11.972 10.961 -12.555 1.00 0.00 C ATOM 991 OG1 THR A 66 -11.606 11.195 -11.198 1.00 0.00 O ATOM 992 CG2 THR A 66 -12.155 9.444 -12.634 1.00 0.00 C ATOM 0 H THR A 66 -9.446 10.143 -12.376 1.00 0.00 H new ATOM 0 HA THR A 66 -11.087 11.641 -14.378 1.00 0.00 H new ATOM 0 HB THR A 66 -12.872 11.455 -12.921 1.00 0.00 H new ATOM 0 HG1 THR A 66 -12.335 10.910 -10.609 1.00 0.00 H new ATOM 0 HG21 THR A 66 -13.027 9.152 -12.049 1.00 0.00 H new ATOM 0 HG22 THR A 66 -12.300 9.149 -13.673 1.00 0.00 H new ATOM 0 HG23 THR A 66 -11.269 8.949 -12.236 1.00 0.00 H new ATOM 1000 N GLY A 67 -9.201 12.654 -11.972 1.00 0.00 N ATOM 1001 CA GLY A 67 -8.561 13.828 -11.405 1.00 0.00 C ATOM 1002 C GLY A 67 -9.358 14.366 -10.215 1.00 0.00 C ATOM 1003 O GLY A 67 -9.701 15.547 -10.176 1.00 0.00 O ATOM 0 H GLY A 67 -8.828 11.764 -11.642 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -7.549 13.577 -11.086 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -8.472 14.602 -12.167 1.00 0.00 H new ATOM 1007 N LYS A 68 -9.630 13.474 -9.274 1.00 0.00 N ATOM 1008 CA LYS A 68 -10.381 13.845 -8.086 1.00 0.00 C ATOM 1009 C LYS A 68 -9.458 13.795 -6.868 1.00 0.00 C ATOM 1010 O LYS A 68 -9.213 12.724 -6.313 1.00 0.00 O ATOM 1011 CB LYS A 68 -11.630 12.972 -7.948 1.00 0.00 C ATOM 1012 CG LYS A 68 -12.675 13.647 -7.057 1.00 0.00 C ATOM 1013 CD LYS A 68 -13.276 12.649 -6.065 1.00 0.00 C ATOM 1014 CE LYS A 68 -14.209 11.665 -6.774 1.00 0.00 C ATOM 1015 NZ LYS A 68 -15.205 11.119 -5.825 1.00 0.00 N ATOM 0 H LYS A 68 -9.344 12.496 -9.310 1.00 0.00 H new ATOM 0 HA LYS A 68 -10.744 14.870 -8.169 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -12.055 12.781 -8.933 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -11.357 12.005 -7.526 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -12.216 14.473 -6.514 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -13.466 14.072 -7.675 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -12.477 12.102 -5.565 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -13.827 13.186 -5.292 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -14.719 12.167 -7.597 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -13.627 10.852 -7.208 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -15.830 10.453 -6.323 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -14.714 10.623 -5.054 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -15.772 11.897 -5.431 1.00 0.00 H new ATOM 1029 N GLU A 69 -8.969 14.966 -6.486 1.00 0.00 N ATOM 1030 CA GLU A 69 -8.078 15.068 -5.344 1.00 0.00 C ATOM 1031 C GLU A 69 -8.374 13.955 -4.337 1.00 0.00 C ATOM 1032 O GLU A 69 -9.328 14.048 -3.566 1.00 0.00 O ATOM 1033 CB GLU A 69 -8.187 16.445 -4.685 1.00 0.00 C ATOM 1034 CG GLU A 69 -9.650 16.866 -4.533 1.00 0.00 C ATOM 1035 CD GLU A 69 -10.107 17.704 -5.729 1.00 0.00 C ATOM 1036 OE1 GLU A 69 -9.438 18.726 -5.994 1.00 0.00 O ATOM 1037 OE2 GLU A 69 -11.114 17.303 -6.351 1.00 0.00 O ATOM 0 H GLU A 69 -9.174 15.852 -6.948 1.00 0.00 H new ATOM 0 HA GLU A 69 -7.054 14.949 -5.697 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -7.708 16.423 -3.706 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -7.653 17.182 -5.285 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -10.279 15.981 -4.443 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -9.773 17.439 -3.614 1.00 0.00 H new ATOM 1044 N ILE A 70 -7.539 12.927 -4.378 1.00 0.00 N ATOM 1045 CA ILE A 70 -7.700 11.796 -3.479 1.00 0.00 C ATOM 1046 C ILE A 70 -7.177 12.175 -2.092 1.00 0.00 C ATOM 1047 O ILE A 70 -6.103 12.750 -1.934 1.00 0.00 O ATOM 1048 CB ILE A 70 -7.038 10.547 -4.066 1.00 0.00 C ATOM 1049 CG1 ILE A 70 -7.723 10.124 -5.367 1.00 0.00 C ATOM 1050 CG2 ILE A 70 -7.004 9.412 -3.040 1.00 0.00 C ATOM 1051 CD1 ILE A 70 -8.908 9.197 -5.087 1.00 0.00 C ATOM 0 H ILE A 70 -6.749 12.853 -5.019 1.00 0.00 H new ATOM 0 HA ILE A 70 -8.755 11.546 -3.365 1.00 0.00 H new ATOM 0 HB ILE A 70 -6.004 10.791 -4.311 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -8.067 11.007 -5.905 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -7.005 9.618 -6.012 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -6.529 8.536 -3.482 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -6.437 9.730 -2.165 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -8.022 9.161 -2.742 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -9.377 8.911 -6.029 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -8.557 8.304 -4.571 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -9.635 9.715 -4.462 1.00 0.00 H new ATOM 1063 N PRO A 71 -7.974 11.834 -1.077 1.00 0.00 N ATOM 1064 CA PRO A 71 -7.678 12.093 0.316 1.00 0.00 C ATOM 1065 C PRO A 71 -6.554 11.176 0.777 1.00 0.00 C ATOM 1066 O PRO A 71 -6.399 10.072 0.261 1.00 0.00 O ATOM 1067 CB PRO A 71 -8.976 11.783 1.057 1.00 0.00 C ATOM 1068 CG PRO A 71 -9.658 10.776 0.193 1.00 0.00 C ATOM 1069 CD PRO A 71 -9.245 11.158 -1.227 1.00 0.00 C ATOM 0 HA PRO A 71 -7.349 13.116 0.497 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -8.781 11.386 2.053 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -9.586 12.678 1.184 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -9.344 9.762 0.440 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -10.740 10.813 0.316 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -9.151 10.277 -1.862 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -9.986 11.808 -1.692 1.00 0.00 H new ATOM 1077 N PRO A 72 -5.767 11.638 1.752 1.00 0.00 N ATOM 1078 CA PRO A 72 -4.652 10.908 2.316 1.00 0.00 C ATOM 1079 C PRO A 72 -4.958 9.417 2.299 1.00 0.00 C ATOM 1080 O PRO A 72 -6.085 9.038 2.617 1.00 0.00 O ATOM 1081 CB PRO A 72 -4.528 11.425 3.747 1.00 0.00 C ATOM 1082 CG PRO A 72 -5.098 12.845 3.666 1.00 0.00 C ATOM 1083 CD PRO A 72 -5.920 12.932 2.382 1.00 0.00 C ATOM 0 HA PRO A 72 -3.726 11.050 1.758 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -5.090 10.807 4.447 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -3.492 11.427 4.084 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -5.719 13.060 4.535 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -4.295 13.582 3.659 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -6.967 13.145 2.597 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -5.558 13.731 1.735 1.00 0.00 H new ATOM 1091 N LEU A 73 -3.971 8.612 1.935 1.00 0.00 N ATOM 1092 CA LEU A 73 -4.159 7.172 1.885 1.00 0.00 C ATOM 1093 C LEU A 73 -3.725 6.558 3.217 1.00 0.00 C ATOM 1094 O LEU A 73 -4.236 5.514 3.619 1.00 0.00 O ATOM 1095 CB LEU A 73 -3.439 6.580 0.672 1.00 0.00 C ATOM 1096 CG LEU A 73 -2.718 5.250 0.903 1.00 0.00 C ATOM 1097 CD1 LEU A 73 -3.672 4.202 1.478 1.00 0.00 C ATOM 1098 CD2 LEU A 73 -2.039 4.765 -0.379 1.00 0.00 C ATOM 0 H LEU A 73 -3.038 8.930 1.672 1.00 0.00 H new ATOM 0 HA LEU A 73 -5.213 6.930 1.751 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -4.168 6.441 -0.126 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -2.711 7.308 0.316 1.00 0.00 H new ATOM 0 HG LEU A 73 -1.933 5.411 1.642 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -3.134 3.266 1.633 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -4.068 4.554 2.430 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -4.494 4.037 0.781 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -1.534 3.818 -0.187 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -2.789 4.625 -1.157 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -1.309 5.506 -0.707 1.00 0.00 H new ATOM 1110 N ALA A 74 -2.787 7.233 3.866 1.00 0.00 N ATOM 1111 CA ALA A 74 -2.279 6.767 5.145 1.00 0.00 C ATOM 1112 C ALA A 74 -3.413 6.103 5.928 1.00 0.00 C ATOM 1113 O ALA A 74 -4.214 6.754 6.594 1.00 0.00 O ATOM 1114 CB ALA A 74 -1.654 7.939 5.904 1.00 0.00 C ATOM 0 H ALA A 74 -2.366 8.099 3.530 1.00 0.00 H new ATOM 0 HA ALA A 74 -1.498 6.020 4.999 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -1.273 7.589 6.863 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -0.835 8.356 5.318 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -2.408 8.708 6.072 1.00 0.00 H new ATOM 1120 N PRO A 75 -3.463 4.772 5.831 1.00 0.00 N ATOM 1121 CA PRO A 75 -4.449 3.942 6.489 1.00 0.00 C ATOM 1122 C PRO A 75 -4.238 3.995 7.995 1.00 0.00 C ATOM 1123 O PRO A 75 -4.114 2.939 8.614 1.00 0.00 O ATOM 1124 CB PRO A 75 -4.200 2.536 5.949 1.00 0.00 C ATOM 1125 CG PRO A 75 -3.293 2.686 4.742 1.00 0.00 C ATOM 1126 CD PRO A 75 -2.537 3.975 5.056 1.00 0.00 C ATOM 0 HA PRO A 75 -5.472 4.267 6.300 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -3.734 1.907 6.708 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -5.139 2.057 5.671 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -2.619 1.836 4.633 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -3.861 2.764 3.815 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -1.625 3.771 5.618 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -2.240 4.491 4.143 1.00 0.00 H new ATOM 1134 N ARG A 76 -4.199 5.198 8.547 1.00 0.00 N ATOM 1135 CA ARG A 76 -4.000 5.359 9.978 1.00 0.00 C ATOM 1136 C ARG A 76 -4.273 6.806 10.392 1.00 0.00 C ATOM 1137 O ARG A 76 -5.040 7.056 11.321 1.00 0.00 O ATOM 1138 CB ARG A 76 -2.574 4.980 10.382 1.00 0.00 C ATOM 1139 CG ARG A 76 -2.381 5.104 11.894 1.00 0.00 C ATOM 1140 CD ARG A 76 -1.124 4.360 12.350 1.00 0.00 C ATOM 1141 NE ARG A 76 -1.500 3.103 13.035 1.00 0.00 N ATOM 1142 CZ ARG A 76 -0.654 2.365 13.767 1.00 0.00 C ATOM 1143 NH1 ARG A 76 0.620 2.753 13.913 1.00 0.00 N ATOM 1144 NH2 ARG A 76 -1.083 1.238 14.352 1.00 0.00 N ATOM 0 H ARG A 76 -4.302 6.071 8.030 1.00 0.00 H new ATOM 0 HA ARG A 76 -4.698 4.694 10.487 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -2.363 3.958 10.068 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -1.863 5.626 9.867 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -2.305 6.156 12.169 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -3.253 4.702 12.410 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -0.490 4.140 11.491 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -0.542 4.990 13.023 1.00 0.00 H new ATOM 0 HE ARG A 76 -2.463 2.778 12.944 1.00 0.00 H new ATOM 0 HH11 ARG A 76 0.946 3.610 13.467 1.00 0.00 H new ATOM 0 HH12 ARG A 76 1.264 2.191 14.470 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -2.053 0.942 14.240 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -0.440 0.676 14.909 1.00 0.00 H new ATOM 1158 N VAL A 77 -3.628 7.722 9.685 1.00 0.00 N ATOM 1159 CA VAL A 77 -3.791 9.138 9.967 1.00 0.00 C ATOM 1160 C VAL A 77 -5.279 9.453 10.130 1.00 0.00 C ATOM 1161 O VAL A 77 -5.662 10.219 11.013 1.00 0.00 O ATOM 1162 CB VAL A 77 -3.120 9.971 8.873 1.00 0.00 C ATOM 1163 CG1 VAL A 77 -3.564 11.433 8.948 1.00 0.00 C ATOM 1164 CG2 VAL A 77 -1.596 9.855 8.953 1.00 0.00 C ATOM 0 H VAL A 77 -2.991 7.511 8.917 1.00 0.00 H new ATOM 0 HA VAL A 77 -3.299 9.400 10.904 1.00 0.00 H new ATOM 0 HB VAL A 77 -3.436 9.574 7.908 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -3.073 12.003 8.160 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -4.645 11.492 8.819 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -3.291 11.847 9.919 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -1.143 10.456 8.165 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -1.254 10.213 9.924 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -1.303 8.813 8.827 1.00 0.00 H new ATOM 1174 N ASN A 78 -6.078 8.846 9.265 1.00 0.00 N ATOM 1175 CA ASN A 78 -7.516 9.052 9.302 1.00 0.00 C ATOM 1176 C ASN A 78 -8.201 7.760 9.751 1.00 0.00 C ATOM 1177 O ASN A 78 -7.779 6.667 9.377 1.00 0.00 O ATOM 1178 CB ASN A 78 -8.056 9.416 7.917 1.00 0.00 C ATOM 1179 CG ASN A 78 -7.064 10.299 7.157 1.00 0.00 C ATOM 1180 OD1 ASN A 78 -6.046 10.724 7.677 1.00 0.00 O ATOM 1181 ND2 ASN A 78 -7.418 10.551 5.900 1.00 0.00 N ATOM 0 H ASN A 78 -5.757 8.211 8.534 1.00 0.00 H new ATOM 0 HA ASN A 78 -7.722 9.867 9.996 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -8.250 8.507 7.348 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -9.008 9.937 8.019 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -6.823 11.132 5.309 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -8.285 10.163 5.527 1.00 0.00 H new ATOM 1188 N THR A 79 -9.247 7.928 10.547 1.00 0.00 N ATOM 1189 CA THR A 79 -9.994 6.788 11.052 1.00 0.00 C ATOM 1190 C THR A 79 -10.946 6.257 9.978 1.00 0.00 C ATOM 1191 O THR A 79 -11.582 5.221 10.165 1.00 0.00 O ATOM 1192 CB THR A 79 -10.707 7.221 12.335 1.00 0.00 C ATOM 1193 OG1 THR A 79 -10.215 8.536 12.579 1.00 0.00 O ATOM 1194 CG2 THR A 79 -10.250 6.420 13.556 1.00 0.00 C ATOM 0 H THR A 79 -9.595 8.836 10.855 1.00 0.00 H new ATOM 0 HA THR A 79 -9.332 5.957 11.295 1.00 0.00 H new ATOM 0 HB THR A 79 -11.784 7.108 12.208 1.00 0.00 H new ATOM 0 HG1 THR A 79 -10.627 8.894 13.393 1.00 0.00 H new ATOM 0 HG21 THR A 79 -10.786 6.766 14.440 1.00 0.00 H new ATOM 0 HG22 THR A 79 -10.459 5.362 13.396 1.00 0.00 H new ATOM 0 HG23 THR A 79 -9.179 6.560 13.703 1.00 0.00 H new ATOM 1202 N LYS A 80 -11.013 6.991 8.877 1.00 0.00 N ATOM 1203 CA LYS A 80 -11.876 6.607 7.773 1.00 0.00 C ATOM 1204 C LYS A 80 -11.050 5.870 6.718 1.00 0.00 C ATOM 1205 O LYS A 80 -11.173 6.143 5.525 1.00 0.00 O ATOM 1206 CB LYS A 80 -12.624 7.826 7.228 1.00 0.00 C ATOM 1207 CG LYS A 80 -13.731 8.264 8.188 1.00 0.00 C ATOM 1208 CD LYS A 80 -13.193 9.241 9.236 1.00 0.00 C ATOM 1209 CE LYS A 80 -14.331 9.833 10.069 1.00 0.00 C ATOM 1210 NZ LYS A 80 -14.713 8.907 11.158 1.00 0.00 N ATOM 0 H LYS A 80 -10.484 7.850 8.726 1.00 0.00 H new ATOM 0 HA LYS A 80 -12.647 5.916 8.115 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -11.924 8.648 7.075 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -13.054 7.588 6.255 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -14.538 8.735 7.627 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -14.154 7.390 8.683 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -12.488 8.727 9.890 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -12.643 10.043 8.743 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -14.022 10.790 10.489 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -15.193 10.028 9.431 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -15.487 9.325 11.713 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -15.028 8.003 10.751 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -13.893 8.741 11.776 1.00 0.00 H new ATOM 1224 N ARG A 81 -10.225 4.949 7.195 1.00 0.00 N ATOM 1225 CA ARG A 81 -9.379 4.170 6.307 1.00 0.00 C ATOM 1226 C ARG A 81 -9.283 2.724 6.798 1.00 0.00 C ATOM 1227 O ARG A 81 -9.597 2.434 7.951 1.00 0.00 O ATOM 1228 CB ARG A 81 -7.972 4.766 6.224 1.00 0.00 C ATOM 1229 CG ARG A 81 -8.005 6.164 5.602 1.00 0.00 C ATOM 1230 CD ARG A 81 -7.659 6.109 4.112 1.00 0.00 C ATOM 1231 NE ARG A 81 -8.082 7.363 3.448 1.00 0.00 N ATOM 1232 CZ ARG A 81 -9.335 7.615 3.049 1.00 0.00 C ATOM 1233 NH1 ARG A 81 -10.297 6.703 3.243 1.00 0.00 N ATOM 1234 NH2 ARG A 81 -9.627 8.780 2.454 1.00 0.00 N ATOM 0 H ARG A 81 -10.125 4.725 8.185 1.00 0.00 H new ATOM 0 HA ARG A 81 -9.831 4.192 5.315 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -7.536 4.818 7.222 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -7.332 4.114 5.630 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -8.995 6.601 5.733 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -7.299 6.813 6.119 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -6.586 5.964 3.984 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -8.154 5.256 3.646 1.00 0.00 H new ATOM 0 HE ARG A 81 -7.375 8.080 3.284 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -10.075 5.816 3.695 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -11.251 6.896 2.939 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -8.895 9.474 2.305 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -10.581 8.972 2.150 1.00 0.00 H new ATOM 1248 N PHE A 82 -8.850 1.854 5.897 1.00 0.00 N ATOM 1249 CA PHE A 82 -8.709 0.445 6.224 1.00 0.00 C ATOM 1250 C PHE A 82 -9.869 -0.032 7.100 1.00 0.00 C ATOM 1251 O PHE A 82 -9.674 -0.357 8.270 1.00 0.00 O ATOM 1252 CB PHE A 82 -7.401 0.295 7.003 1.00 0.00 C ATOM 1253 CG PHE A 82 -6.181 0.019 6.122 1.00 0.00 C ATOM 1254 CD1 PHE A 82 -6.258 0.200 4.777 1.00 0.00 C ATOM 1255 CD2 PHE A 82 -5.018 -0.407 6.686 1.00 0.00 C ATOM 1256 CE1 PHE A 82 -5.125 -0.056 3.960 1.00 0.00 C ATOM 1257 CE2 PHE A 82 -3.886 -0.663 5.869 1.00 0.00 C ATOM 1258 CZ PHE A 82 -3.963 -0.482 4.523 1.00 0.00 C ATOM 0 H PHE A 82 -8.592 2.098 4.941 1.00 0.00 H new ATOM 0 HA PHE A 82 -8.709 -0.151 5.311 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -7.224 1.206 7.576 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -7.509 -0.518 7.722 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -7.181 0.539 4.330 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -4.956 -0.550 7.755 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -5.186 0.088 2.891 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -2.963 -1.002 6.316 1.00 0.00 H new ATOM 0 HZ PHE A 82 -3.101 -0.677 3.902 1.00 0.00 H new ATOM 1268 N THR A 83 -11.050 -0.060 6.500 1.00 0.00 N ATOM 1269 CA THR A 83 -12.241 -0.492 7.211 1.00 0.00 C ATOM 1270 C THR A 83 -12.432 -2.003 7.061 1.00 0.00 C ATOM 1271 O THR A 83 -12.311 -2.747 8.033 1.00 0.00 O ATOM 1272 CB THR A 83 -13.425 0.325 6.691 1.00 0.00 C ATOM 1273 OG1 THR A 83 -12.948 1.668 6.693 1.00 0.00 O ATOM 1274 CG2 THR A 83 -14.599 0.345 7.673 1.00 0.00 C ATOM 0 H THR A 83 -11.207 0.210 5.529 1.00 0.00 H new ATOM 0 HA THR A 83 -12.150 -0.312 8.282 1.00 0.00 H new ATOM 0 HB THR A 83 -13.757 -0.084 5.737 1.00 0.00 H new ATOM 0 HG1 THR A 83 -13.653 2.266 6.368 1.00 0.00 H new ATOM 0 HG21 THR A 83 -15.413 0.938 7.255 1.00 0.00 H new ATOM 0 HG22 THR A 83 -14.945 -0.674 7.847 1.00 0.00 H new ATOM 0 HG23 THR A 83 -14.277 0.785 8.617 1.00 0.00 H new ATOM 1282 N ASP A 84 -12.728 -2.411 5.836 1.00 0.00 N ATOM 1283 CA ASP A 84 -12.938 -3.819 5.546 1.00 0.00 C ATOM 1284 C ASP A 84 -11.582 -4.503 5.357 1.00 0.00 C ATOM 1285 O ASP A 84 -11.043 -4.526 4.252 1.00 0.00 O ATOM 1286 CB ASP A 84 -13.744 -4.002 4.259 1.00 0.00 C ATOM 1287 CG ASP A 84 -14.231 -5.429 3.999 1.00 0.00 C ATOM 1288 OD1 ASP A 84 -13.570 -6.357 4.513 1.00 0.00 O ATOM 1289 OD2 ASP A 84 -15.253 -5.560 3.291 1.00 0.00 O ATOM 0 H ASP A 84 -12.827 -1.791 5.032 1.00 0.00 H new ATOM 0 HA ASP A 84 -13.487 -4.258 6.380 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -14.609 -3.339 4.292 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -13.131 -3.684 3.416 1.00 0.00 H new ATOM 1294 N ILE A 85 -11.071 -5.044 6.453 1.00 0.00 N ATOM 1295 CA ILE A 85 -9.789 -5.728 6.421 1.00 0.00 C ATOM 1296 C ILE A 85 -9.945 -7.063 5.691 1.00 0.00 C ATOM 1297 O ILE A 85 -8.965 -7.772 5.470 1.00 0.00 O ATOM 1298 CB ILE A 85 -9.219 -5.863 7.835 1.00 0.00 C ATOM 1299 CG1 ILE A 85 -7.692 -5.953 7.804 1.00 0.00 C ATOM 1300 CG2 ILE A 85 -9.849 -7.048 8.569 1.00 0.00 C ATOM 1301 CD1 ILE A 85 -7.108 -5.851 9.215 1.00 0.00 C ATOM 0 H ILE A 85 -11.521 -5.023 7.368 1.00 0.00 H new ATOM 0 HA ILE A 85 -9.059 -5.143 5.862 1.00 0.00 H new ATOM 0 HB ILE A 85 -9.477 -4.964 8.395 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -7.389 -6.896 7.348 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -7.290 -5.154 7.181 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -9.427 -7.122 9.571 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -10.927 -6.901 8.639 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -9.643 -7.967 8.020 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -6.021 -5.918 9.165 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -7.393 -4.897 9.659 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -7.494 -6.666 9.828 1.00 0.00 H new ATOM 1313 N ASP A 86 -11.185 -7.365 5.337 1.00 0.00 N ATOM 1314 CA ASP A 86 -11.483 -8.603 4.636 1.00 0.00 C ATOM 1315 C ASP A 86 -11.574 -8.325 3.134 1.00 0.00 C ATOM 1316 O ASP A 86 -11.434 -9.237 2.320 1.00 0.00 O ATOM 1317 CB ASP A 86 -12.822 -9.186 5.091 1.00 0.00 C ATOM 1318 CG ASP A 86 -13.005 -10.679 4.815 1.00 0.00 C ATOM 1319 OD1 ASP A 86 -11.967 -11.360 4.666 1.00 0.00 O ATOM 1320 OD2 ASP A 86 -14.178 -11.107 4.759 1.00 0.00 O ATOM 0 H ASP A 86 -11.995 -6.774 5.522 1.00 0.00 H new ATOM 0 HA ASP A 86 -10.687 -9.314 4.856 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -12.931 -9.014 6.162 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -13.626 -8.640 4.597 1.00 0.00 H new ATOM 1325 N LYS A 87 -11.809 -7.061 2.812 1.00 0.00 N ATOM 1326 CA LYS A 87 -11.920 -6.651 1.423 1.00 0.00 C ATOM 1327 C LYS A 87 -10.618 -5.975 0.988 1.00 0.00 C ATOM 1328 O LYS A 87 -10.045 -6.328 -0.041 1.00 0.00 O ATOM 1329 CB LYS A 87 -13.162 -5.781 1.219 1.00 0.00 C ATOM 1330 CG LYS A 87 -13.342 -5.420 -0.257 1.00 0.00 C ATOM 1331 CD LYS A 87 -13.784 -3.963 -0.414 1.00 0.00 C ATOM 1332 CE LYS A 87 -15.243 -3.783 0.010 1.00 0.00 C ATOM 1333 NZ LYS A 87 -15.979 -2.981 -0.993 1.00 0.00 N ATOM 0 H LYS A 87 -11.926 -6.308 3.490 1.00 0.00 H new ATOM 0 HA LYS A 87 -12.058 -7.520 0.780 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -14.044 -6.311 1.578 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -13.074 -4.870 1.812 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -12.405 -5.579 -0.791 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -14.083 -6.080 -0.709 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -13.144 -3.318 0.189 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -13.662 -3.652 -1.452 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -15.718 -4.758 0.124 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -15.288 -3.291 0.982 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -16.967 -2.868 -0.690 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -15.535 -2.045 -1.082 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -15.952 -3.466 -1.913 1.00 0.00 H new ATOM 1347 N VAL A 88 -10.189 -5.016 1.796 1.00 0.00 N ATOM 1348 CA VAL A 88 -8.965 -4.288 1.508 1.00 0.00 C ATOM 1349 C VAL A 88 -7.881 -5.274 1.067 1.00 0.00 C ATOM 1350 O VAL A 88 -6.968 -4.910 0.329 1.00 0.00 O ATOM 1351 CB VAL A 88 -8.555 -3.453 2.722 1.00 0.00 C ATOM 1352 CG1 VAL A 88 -7.443 -4.145 3.514 1.00 0.00 C ATOM 1353 CG2 VAL A 88 -8.133 -2.044 2.302 1.00 0.00 C ATOM 0 H VAL A 88 -10.667 -4.727 2.649 1.00 0.00 H new ATOM 0 HA VAL A 88 -9.121 -3.589 0.687 1.00 0.00 H new ATOM 0 HB VAL A 88 -9.424 -3.362 3.374 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -7.170 -3.530 4.372 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -7.794 -5.117 3.861 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -6.571 -4.282 2.874 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -7.847 -1.472 3.184 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -7.286 -2.106 1.619 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -8.966 -1.548 1.803 1.00 0.00 H new ATOM 1363 N GLU A 89 -8.018 -6.505 1.540 1.00 0.00 N ATOM 1364 CA GLU A 89 -7.062 -7.546 1.204 1.00 0.00 C ATOM 1365 C GLU A 89 -7.207 -7.946 -0.266 1.00 0.00 C ATOM 1366 O GLU A 89 -6.215 -8.055 -0.984 1.00 0.00 O ATOM 1367 CB GLU A 89 -7.229 -8.759 2.121 1.00 0.00 C ATOM 1368 CG GLU A 89 -6.254 -9.875 1.737 1.00 0.00 C ATOM 1369 CD GLU A 89 -7.005 -11.117 1.253 1.00 0.00 C ATOM 1370 OE1 GLU A 89 -8.047 -11.426 1.870 1.00 0.00 O ATOM 1371 OE2 GLU A 89 -6.519 -11.729 0.278 1.00 0.00 O ATOM 0 H GLU A 89 -8.777 -6.804 2.153 1.00 0.00 H new ATOM 0 HA GLU A 89 -6.057 -7.152 1.355 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -7.059 -8.463 3.156 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -8.253 -9.128 2.059 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -5.583 -9.523 0.953 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -5.634 -10.132 2.596 1.00 0.00 H new ATOM 1378 N ASP A 90 -8.452 -8.153 -0.670 1.00 0.00 N ATOM 1379 CA ASP A 90 -8.740 -8.538 -2.041 1.00 0.00 C ATOM 1380 C ASP A 90 -8.484 -7.346 -2.965 1.00 0.00 C ATOM 1381 O ASP A 90 -7.847 -7.490 -4.008 1.00 0.00 O ATOM 1382 CB ASP A 90 -10.204 -8.954 -2.201 1.00 0.00 C ATOM 1383 CG ASP A 90 -10.653 -10.099 -1.291 1.00 0.00 C ATOM 1384 OD1 ASP A 90 -9.778 -10.632 -0.575 1.00 0.00 O ATOM 1385 OD2 ASP A 90 -11.862 -10.414 -1.331 1.00 0.00 O ATOM 0 H ASP A 90 -9.273 -8.061 -0.072 1.00 0.00 H new ATOM 0 HA ASP A 90 -8.096 -9.379 -2.297 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -10.836 -8.087 -2.008 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -10.372 -9.246 -3.238 1.00 0.00 H new ATOM 1390 N GLU A 91 -8.993 -6.196 -2.550 1.00 0.00 N ATOM 1391 CA GLU A 91 -8.828 -4.980 -3.328 1.00 0.00 C ATOM 1392 C GLU A 91 -7.345 -4.725 -3.606 1.00 0.00 C ATOM 1393 O GLU A 91 -7.000 -3.968 -4.512 1.00 0.00 O ATOM 1394 CB GLU A 91 -9.466 -3.784 -2.618 1.00 0.00 C ATOM 1395 CG GLU A 91 -10.983 -3.776 -2.814 1.00 0.00 C ATOM 1396 CD GLU A 91 -11.382 -2.861 -3.973 1.00 0.00 C ATOM 1397 OE1 GLU A 91 -11.021 -3.207 -5.119 1.00 0.00 O ATOM 1398 OE2 GLU A 91 -12.039 -1.837 -3.687 1.00 0.00 O ATOM 0 H GLU A 91 -9.520 -6.080 -1.685 1.00 0.00 H new ATOM 0 HA GLU A 91 -9.340 -5.110 -4.282 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -9.233 -3.822 -1.554 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -9.041 -2.858 -3.005 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -11.333 -4.790 -3.009 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -11.470 -3.441 -1.898 1.00 0.00 H new ATOM 1405 N PHE A 92 -6.507 -5.372 -2.809 1.00 0.00 N ATOM 1406 CA PHE A 92 -5.069 -5.225 -2.958 1.00 0.00 C ATOM 1407 C PHE A 92 -4.540 -6.118 -4.083 1.00 0.00 C ATOM 1408 O PHE A 92 -3.493 -5.835 -4.664 1.00 0.00 O ATOM 1409 CB PHE A 92 -4.435 -5.663 -1.636 1.00 0.00 C ATOM 1410 CG PHE A 92 -3.745 -4.531 -0.872 1.00 0.00 C ATOM 1411 CD1 PHE A 92 -2.814 -3.760 -1.495 1.00 0.00 C ATOM 1412 CD2 PHE A 92 -4.062 -4.296 0.429 1.00 0.00 C ATOM 1413 CE1 PHE A 92 -2.173 -2.709 -0.786 1.00 0.00 C ATOM 1414 CE2 PHE A 92 -3.421 -3.246 1.138 1.00 0.00 C ATOM 1415 CZ PHE A 92 -2.490 -2.474 0.515 1.00 0.00 C ATOM 0 H PHE A 92 -6.796 -5.999 -2.058 1.00 0.00 H new ATOM 0 HA PHE A 92 -4.825 -4.192 -3.204 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -5.207 -6.098 -1.001 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -3.707 -6.449 -1.837 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -2.562 -3.947 -2.528 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -4.802 -4.908 0.923 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -1.434 -2.097 -1.281 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -3.672 -3.060 2.172 1.00 0.00 H new ATOM 0 HZ PHE A 92 -2.003 -1.675 1.054 1.00 0.00 H new ATOM 1425 N THR A 93 -5.288 -7.177 -4.356 1.00 0.00 N ATOM 1426 CA THR A 93 -4.908 -8.112 -5.401 1.00 0.00 C ATOM 1427 C THR A 93 -5.495 -7.677 -6.745 1.00 0.00 C ATOM 1428 O THR A 93 -4.913 -7.943 -7.796 1.00 0.00 O ATOM 1429 CB THR A 93 -5.351 -9.511 -4.968 1.00 0.00 C ATOM 1430 OG1 THR A 93 -4.198 -10.061 -4.338 1.00 0.00 O ATOM 1431 CG2 THR A 93 -5.605 -10.439 -6.157 1.00 0.00 C ATOM 0 H THR A 93 -6.155 -7.408 -3.872 1.00 0.00 H new ATOM 0 HA THR A 93 -3.828 -8.128 -5.544 1.00 0.00 H new ATOM 0 HB THR A 93 -6.257 -9.435 -4.367 1.00 0.00 H new ATOM 0 HG1 THR A 93 -4.176 -11.030 -4.484 1.00 0.00 H new ATOM 0 HG21 THR A 93 -5.917 -11.418 -5.794 1.00 0.00 H new ATOM 0 HG22 THR A 93 -6.390 -10.018 -6.786 1.00 0.00 H new ATOM 0 HG23 THR A 93 -4.690 -10.543 -6.740 1.00 0.00 H new ATOM 1439 N LYS A 94 -6.641 -7.017 -6.668 1.00 0.00 N ATOM 1440 CA LYS A 94 -7.313 -6.543 -7.866 1.00 0.00 C ATOM 1441 C LYS A 94 -6.614 -5.280 -8.373 1.00 0.00 C ATOM 1442 O LYS A 94 -6.538 -5.042 -9.576 1.00 0.00 O ATOM 1443 CB LYS A 94 -8.808 -6.353 -7.601 1.00 0.00 C ATOM 1444 CG LYS A 94 -9.439 -7.642 -7.071 1.00 0.00 C ATOM 1445 CD LYS A 94 -10.538 -7.335 -6.051 1.00 0.00 C ATOM 1446 CE LYS A 94 -11.757 -6.707 -6.729 1.00 0.00 C ATOM 1447 NZ LYS A 94 -12.011 -5.353 -6.189 1.00 0.00 N ATOM 0 H LYS A 94 -7.121 -6.799 -5.795 1.00 0.00 H new ATOM 0 HA LYS A 94 -7.244 -7.286 -8.660 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -8.954 -5.549 -6.879 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -9.308 -6.050 -8.521 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -9.856 -8.214 -7.900 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -8.672 -8.263 -6.609 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -10.833 -8.253 -5.542 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -10.153 -6.658 -5.289 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -11.593 -6.651 -7.805 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -12.632 -7.337 -6.572 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -12.582 -4.810 -6.868 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -12.524 -5.429 -5.288 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -11.105 -4.867 -6.032 1.00 0.00 H new ATOM 1461 N HIS A 95 -6.111 -4.494 -7.421 1.00 0.00 N ATOM 1462 CA HIS A 95 -5.409 -3.248 -7.712 1.00 0.00 C ATOM 1463 C HIS A 95 -4.095 -3.552 -8.453 1.00 0.00 C ATOM 1464 O HIS A 95 -3.865 -3.100 -9.573 1.00 0.00 O ATOM 1465 CB HIS A 95 -5.230 -2.462 -6.404 1.00 0.00 C ATOM 1466 CG HIS A 95 -4.808 -1.017 -6.533 1.00 0.00 C ATOM 1467 ND1 HIS A 95 -4.782 -0.377 -7.706 1.00 0.00 N ATOM 1468 CD2 HIS A 95 -4.393 -0.106 -5.591 1.00 0.00 C ATOM 1469 CE1 HIS A 95 -4.368 0.884 -7.502 1.00 0.00 C ATOM 1470 NE2 HIS A 95 -4.114 1.104 -6.214 1.00 0.00 N ATOM 0 H HIS A 95 -6.180 -4.705 -6.426 1.00 0.00 H new ATOM 0 HA HIS A 95 -5.986 -2.612 -8.383 1.00 0.00 H new ATOM 0 HB2 HIS A 95 -6.172 -2.494 -5.856 1.00 0.00 H new ATOM 0 HB3 HIS A 95 -4.489 -2.980 -5.795 1.00 0.00 H new ATOM 0 HD1 HIS A 95 -5.035 -0.780 -8.608 1.00 0.00 H new ATOM 0 HD2 HIS A 95 -4.299 -0.300 -4.533 1.00 0.00 H new ATOM 0 HE1 HIS A 95 -4.256 1.623 -8.281 1.00 0.00 H new ATOM 1478 N CYS A 96 -3.236 -4.336 -7.797 1.00 0.00 N ATOM 1479 CA CYS A 96 -1.957 -4.715 -8.360 1.00 0.00 C ATOM 1480 C CYS A 96 -2.173 -5.392 -9.706 1.00 0.00 C ATOM 1481 O CYS A 96 -1.254 -5.389 -10.524 1.00 0.00 O ATOM 1482 CB CYS A 96 -1.233 -5.649 -7.394 1.00 0.00 C ATOM 1483 SG CYS A 96 -0.390 -4.650 -6.142 1.00 0.00 S ATOM 0 H CYS A 96 -3.414 -4.719 -6.868 1.00 0.00 H new ATOM 0 HA CYS A 96 -1.342 -3.828 -8.513 1.00 0.00 H new ATOM 0 HB2 CYS A 96 -1.943 -6.327 -6.921 1.00 0.00 H new ATOM 0 HB3 CYS A 96 -0.513 -6.266 -7.933 1.00 0.00 H new ATOM 1488 N ASN A 97 -3.357 -5.949 -9.911 1.00 0.00 N ATOM 1489 CA ASN A 97 -3.663 -6.619 -11.163 1.00 0.00 C ATOM 1490 C ASN A 97 -4.077 -5.579 -12.206 1.00 0.00 C ATOM 1491 O ASN A 97 -4.163 -5.886 -13.394 1.00 0.00 O ATOM 1492 CB ASN A 97 -4.821 -7.604 -10.992 1.00 0.00 C ATOM 1493 CG ASN A 97 -4.334 -9.049 -11.116 1.00 0.00 C ATOM 1494 OD1 ASN A 97 -3.908 -9.500 -12.167 1.00 0.00 O ATOM 1495 ND2 ASN A 97 -4.421 -9.748 -9.988 1.00 0.00 N ATOM 0 H ASN A 97 -4.117 -5.950 -9.230 1.00 0.00 H new ATOM 0 HA ASN A 97 -2.772 -7.161 -11.481 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -5.288 -7.456 -10.018 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -5.584 -7.408 -11.745 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -4.121 -10.723 -9.968 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -4.787 -9.309 -9.143 1.00 0.00 H new ATOM 1502 N ASP A 98 -4.322 -4.369 -11.724 1.00 0.00 N ATOM 1503 CA ASP A 98 -4.725 -3.282 -12.599 1.00 0.00 C ATOM 1504 C ASP A 98 -3.674 -2.172 -12.543 1.00 0.00 C ATOM 1505 O ASP A 98 -3.863 -1.104 -13.123 1.00 0.00 O ATOM 1506 CB ASP A 98 -6.065 -2.688 -12.158 1.00 0.00 C ATOM 1507 CG ASP A 98 -7.281 -3.181 -12.945 1.00 0.00 C ATOM 1508 OD1 ASP A 98 -7.074 -3.607 -14.102 1.00 0.00 O ATOM 1509 OD2 ASP A 98 -8.390 -3.120 -12.372 1.00 0.00 O ATOM 0 H ASP A 98 -4.249 -4.118 -10.738 1.00 0.00 H new ATOM 0 HA ASP A 98 -4.822 -3.680 -13.609 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -6.217 -2.916 -11.103 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -6.010 -1.603 -12.245 1.00 0.00 H new ATOM 1514 N ILE A 99 -2.590 -2.462 -11.839 1.00 0.00 N ATOM 1515 CA ILE A 99 -1.508 -1.502 -11.700 1.00 0.00 C ATOM 1516 C ILE A 99 -0.209 -2.125 -12.213 1.00 0.00 C ATOM 1517 O ILE A 99 0.486 -1.532 -13.037 1.00 0.00 O ATOM 1518 CB ILE A 99 -1.421 -0.998 -10.258 1.00 0.00 C ATOM 1519 CG1 ILE A 99 -2.736 -0.345 -9.825 1.00 0.00 C ATOM 1520 CG2 ILE A 99 -0.227 -0.059 -10.076 1.00 0.00 C ATOM 1521 CD1 ILE A 99 -2.946 0.991 -10.541 1.00 0.00 C ATOM 0 H ILE A 99 -2.438 -3.349 -11.358 1.00 0.00 H new ATOM 0 HA ILE A 99 -1.701 -0.620 -12.311 1.00 0.00 H new ATOM 0 HB ILE A 99 -1.258 -1.856 -9.606 1.00 0.00 H new ATOM 0 HG12 ILE A 99 -3.568 -1.014 -10.044 1.00 0.00 H new ATOM 0 HG13 ILE A 99 -2.730 -0.187 -8.747 1.00 0.00 H new ATOM 0 HG21 ILE A 99 -0.189 0.285 -9.042 1.00 0.00 H new ATOM 0 HG22 ILE A 99 0.694 -0.591 -10.316 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -0.334 0.799 -10.740 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -3.887 1.434 -10.216 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -2.125 1.666 -10.300 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -2.976 0.826 -11.618 1.00 0.00 H new ATOM 1533 N LEU A 100 0.081 -3.314 -11.705 1.00 0.00 N ATOM 1534 CA LEU A 100 1.285 -4.024 -12.101 1.00 0.00 C ATOM 1535 C LEU A 100 0.937 -5.038 -13.193 1.00 0.00 C ATOM 1536 O LEU A 100 1.773 -5.358 -14.037 1.00 0.00 O ATOM 1537 CB LEU A 100 1.967 -4.645 -10.881 1.00 0.00 C ATOM 1538 CG LEU A 100 2.646 -3.665 -9.922 1.00 0.00 C ATOM 1539 CD1 LEU A 100 3.210 -4.394 -8.701 1.00 0.00 C ATOM 1540 CD2 LEU A 100 3.717 -2.844 -10.644 1.00 0.00 C ATOM 0 H LEU A 100 -0.498 -3.804 -11.022 1.00 0.00 H new ATOM 0 HA LEU A 100 2.013 -3.333 -12.526 1.00 0.00 H new ATOM 0 HB2 LEU A 100 1.222 -5.212 -10.323 1.00 0.00 H new ATOM 0 HB3 LEU A 100 2.714 -5.357 -11.230 1.00 0.00 H new ATOM 0 HG LEU A 100 1.893 -2.965 -9.560 1.00 0.00 H new ATOM 0 HD11 LEU A 100 3.687 -3.674 -8.036 1.00 0.00 H new ATOM 0 HD12 LEU A 100 2.401 -4.897 -8.171 1.00 0.00 H new ATOM 0 HD13 LEU A 100 3.945 -5.131 -9.025 1.00 0.00 H new ATOM 0 HD21 LEU A 100 4.184 -2.155 -9.940 1.00 0.00 H new ATOM 0 HD22 LEU A 100 4.474 -3.513 -11.053 1.00 0.00 H new ATOM 0 HD23 LEU A 100 3.257 -2.278 -11.454 1.00 0.00 H new ATOM 1552 N GLY A 101 -0.298 -5.515 -13.142 1.00 0.00 N ATOM 1553 CA GLY A 101 -0.766 -6.486 -14.116 1.00 0.00 C ATOM 1554 C GLY A 101 -0.887 -7.877 -13.489 1.00 0.00 C ATOM 1555 O GLY A 101 -1.095 -8.863 -14.194 1.00 0.00 O ATOM 0 H GLY A 101 -0.989 -5.247 -12.441 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -1.734 -6.175 -14.509 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -0.076 -6.522 -14.959 1.00 0.00 H new ATOM 1559 N ALA A 102 -0.752 -7.911 -12.172 1.00 0.00 N ATOM 1560 CA ALA A 102 -0.844 -9.164 -11.442 1.00 0.00 C ATOM 1561 C ALA A 102 -0.945 -8.871 -9.944 1.00 0.00 C ATOM 1562 O ALA A 102 -1.052 -7.714 -9.540 1.00 0.00 O ATOM 1563 CB ALA A 102 0.360 -10.044 -11.784 1.00 0.00 C ATOM 0 H ALA A 102 -0.580 -7.091 -11.591 1.00 0.00 H new ATOM 0 HA ALA A 102 -1.741 -9.711 -11.732 1.00 0.00 H new ATOM 0 HB1 ALA A 102 0.291 -10.984 -11.236 1.00 0.00 H new ATOM 0 HB2 ALA A 102 0.369 -10.248 -12.855 1.00 0.00 H new ATOM 0 HB3 ALA A 102 1.279 -9.528 -11.505 1.00 0.00 H new ATOM 1569 N ASP A 103 -0.907 -9.939 -9.160 1.00 0.00 N ATOM 1570 CA ASP A 103 -0.993 -9.811 -7.716 1.00 0.00 C ATOM 1571 C ASP A 103 0.403 -9.546 -7.148 1.00 0.00 C ATOM 1572 O ASP A 103 1.354 -10.290 -7.381 1.00 0.00 O ATOM 1573 CB ASP A 103 -1.526 -11.096 -7.079 1.00 0.00 C ATOM 1574 CG ASP A 103 -2.154 -10.920 -5.695 1.00 0.00 C ATOM 1575 OD1 ASP A 103 -1.901 -9.857 -5.089 1.00 0.00 O ATOM 1576 OD2 ASP A 103 -2.872 -11.853 -5.275 1.00 0.00 O ATOM 0 H ASP A 103 -0.818 -10.897 -9.498 1.00 0.00 H new ATOM 0 HA ASP A 103 -1.672 -8.989 -7.491 1.00 0.00 H new ATOM 0 HB2 ASP A 103 -2.269 -11.533 -7.746 1.00 0.00 H new ATOM 0 HB3 ASP A 103 -0.708 -11.812 -7.002 1.00 0.00 H new ATOM 1581 N CYS A 104 0.505 -8.454 -6.387 1.00 0.00 N ATOM 1582 CA CYS A 104 1.756 -8.060 -5.771 1.00 0.00 C ATOM 1583 C CYS A 104 2.224 -9.153 -4.822 1.00 0.00 C ATOM 1584 O CYS A 104 1.407 -9.985 -4.429 1.00 0.00 O ATOM 1585 CB CYS A 104 1.563 -6.741 -5.027 1.00 0.00 C ATOM 1586 SG CYS A 104 1.469 -5.399 -6.238 1.00 0.00 S ATOM 0 H CYS A 104 -0.275 -7.828 -6.187 1.00 0.00 H new ATOM 0 HA CYS A 104 2.518 -7.919 -6.537 1.00 0.00 H new ATOM 0 HB2 CYS A 104 0.652 -6.774 -4.429 1.00 0.00 H new ATOM 0 HB3 CYS A 104 2.391 -6.571 -4.338 1.00 0.00 H new ATOM 1591 N SER A 105 3.503 -9.136 -4.476 1.00 0.00 N ATOM 1592 CA SER A 105 4.048 -10.136 -3.574 1.00 0.00 C ATOM 1593 C SER A 105 3.483 -9.936 -2.167 1.00 0.00 C ATOM 1594 O SER A 105 3.249 -8.819 -1.710 1.00 0.00 O ATOM 1595 CB SER A 105 5.577 -10.078 -3.546 1.00 0.00 C ATOM 1596 OG SER A 105 6.131 -9.959 -4.853 1.00 0.00 O ATOM 0 H SER A 105 4.178 -8.445 -4.804 1.00 0.00 H new ATOM 0 HA SER A 105 3.756 -11.121 -3.939 1.00 0.00 H new ATOM 0 HB2 SER A 105 5.897 -9.231 -2.938 1.00 0.00 H new ATOM 0 HB3 SER A 105 5.965 -10.978 -3.068 1.00 0.00 H new ATOM 0 HG SER A 105 7.108 -9.923 -4.792 1.00 0.00 H new ATOM 1602 N PRO A 106 3.266 -11.061 -1.480 1.00 0.00 N ATOM 1603 CA PRO A 106 2.739 -11.106 -0.134 1.00 0.00 C ATOM 1604 C PRO A 106 3.714 -10.429 0.819 1.00 0.00 C ATOM 1605 O PRO A 106 3.297 -10.014 1.900 1.00 0.00 O ATOM 1606 CB PRO A 106 2.605 -12.593 0.185 1.00 0.00 C ATOM 1607 CG PRO A 106 3.686 -13.262 -0.743 1.00 0.00 C ATOM 1608 CD PRO A 106 3.530 -12.390 -1.987 1.00 0.00 C ATOM 0 HA PRO A 106 1.785 -10.588 -0.034 1.00 0.00 H new ATOM 0 HB2 PRO A 106 2.797 -12.797 1.238 1.00 0.00 H new ATOM 0 HB3 PRO A 106 1.603 -12.963 -0.034 1.00 0.00 H new ATOM 0 HG2 PRO A 106 4.689 -13.212 -0.320 1.00 0.00 H new ATOM 0 HG3 PRO A 106 3.475 -14.313 -0.940 1.00 0.00 H new ATOM 0 HD2 PRO A 106 4.433 -12.408 -2.597 1.00 0.00 H new ATOM 0 HD3 PRO A 106 2.713 -12.742 -2.616 1.00 0.00 H new ATOM 1616 N SER A 107 4.971 -10.333 0.413 1.00 0.00 N ATOM 1617 CA SER A 107 5.982 -9.706 1.248 1.00 0.00 C ATOM 1618 C SER A 107 5.982 -8.193 1.022 1.00 0.00 C ATOM 1619 O SER A 107 6.185 -7.422 1.959 1.00 0.00 O ATOM 1620 CB SER A 107 7.369 -10.285 0.962 1.00 0.00 C ATOM 1621 OG SER A 107 7.864 -9.882 -0.312 1.00 0.00 O ATOM 0 H SER A 107 5.313 -10.679 -0.484 1.00 0.00 H new ATOM 0 HA SER A 107 5.740 -9.912 2.291 1.00 0.00 H new ATOM 0 HB2 SER A 107 8.063 -9.964 1.739 1.00 0.00 H new ATOM 0 HB3 SER A 107 7.323 -11.373 1.005 1.00 0.00 H new ATOM 0 HG SER A 107 8.752 -10.271 -0.456 1.00 0.00 H new ATOM 1627 N GLU A 108 5.753 -7.812 -0.226 1.00 0.00 N ATOM 1628 CA GLU A 108 5.724 -6.405 -0.586 1.00 0.00 C ATOM 1629 C GLU A 108 4.476 -5.734 -0.007 1.00 0.00 C ATOM 1630 O GLU A 108 4.353 -4.511 -0.041 1.00 0.00 O ATOM 1631 CB GLU A 108 5.788 -6.226 -2.104 1.00 0.00 C ATOM 1632 CG GLU A 108 6.911 -7.072 -2.709 1.00 0.00 C ATOM 1633 CD GLU A 108 8.180 -6.240 -2.901 1.00 0.00 C ATOM 1634 OE1 GLU A 108 8.044 -5.106 -3.410 1.00 0.00 O ATOM 1635 OE2 GLU A 108 9.258 -6.756 -2.535 1.00 0.00 O ATOM 0 H GLU A 108 5.586 -8.454 -1.001 1.00 0.00 H new ATOM 0 HA GLU A 108 6.603 -5.923 -0.159 1.00 0.00 H new ATOM 0 HB2 GLU A 108 4.834 -6.510 -2.548 1.00 0.00 H new ATOM 0 HB3 GLU A 108 5.950 -5.175 -2.343 1.00 0.00 H new ATOM 0 HG2 GLU A 108 7.123 -7.921 -2.059 1.00 0.00 H new ATOM 0 HG3 GLU A 108 6.589 -7.478 -3.668 1.00 0.00 H new ATOM 1642 N LYS A 109 3.583 -6.565 0.510 1.00 0.00 N ATOM 1643 CA LYS A 109 2.349 -6.068 1.095 1.00 0.00 C ATOM 1644 C LYS A 109 2.566 -5.810 2.587 1.00 0.00 C ATOM 1645 O LYS A 109 2.506 -4.667 3.038 1.00 0.00 O ATOM 1646 CB LYS A 109 1.192 -7.023 0.798 1.00 0.00 C ATOM 1647 CG LYS A 109 -0.157 -6.328 0.993 1.00 0.00 C ATOM 1648 CD LYS A 109 -0.716 -5.830 -0.342 1.00 0.00 C ATOM 1649 CE LYS A 109 -1.120 -7.002 -1.238 1.00 0.00 C ATOM 1650 NZ LYS A 109 -1.161 -6.580 -2.656 1.00 0.00 N ATOM 0 H LYS A 109 3.689 -7.579 0.536 1.00 0.00 H new ATOM 0 HA LYS A 109 2.069 -5.116 0.643 1.00 0.00 H new ATOM 0 HB2 LYS A 109 1.272 -7.389 -0.226 1.00 0.00 H new ATOM 0 HB3 LYS A 109 1.256 -7.892 1.453 1.00 0.00 H new ATOM 0 HG2 LYS A 109 -0.863 -7.020 1.452 1.00 0.00 H new ATOM 0 HG3 LYS A 109 -0.042 -5.489 1.679 1.00 0.00 H new ATOM 0 HD2 LYS A 109 -1.580 -5.190 -0.163 1.00 0.00 H new ATOM 0 HD3 LYS A 109 0.032 -5.221 -0.849 1.00 0.00 H new ATOM 0 HE2 LYS A 109 -0.411 -7.821 -1.117 1.00 0.00 H new ATOM 0 HE3 LYS A 109 -2.097 -7.378 -0.936 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 -1.115 -7.419 -3.269 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 -2.046 -6.065 -2.839 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 -0.351 -5.960 -2.857 1.00 0.00 H new ATOM 1664 N ALA A 110 2.813 -6.891 3.312 1.00 0.00 N ATOM 1665 CA ALA A 110 3.038 -6.796 4.745 1.00 0.00 C ATOM 1666 C ALA A 110 4.077 -5.707 5.022 1.00 0.00 C ATOM 1667 O ALA A 110 4.137 -5.169 6.126 1.00 0.00 O ATOM 1668 CB ALA A 110 3.466 -8.161 5.286 1.00 0.00 C ATOM 0 H ALA A 110 2.862 -7.837 2.934 1.00 0.00 H new ATOM 0 HA ALA A 110 2.120 -6.515 5.260 1.00 0.00 H new ATOM 0 HB1 ALA A 110 3.635 -8.090 6.361 1.00 0.00 H new ATOM 0 HB2 ALA A 110 2.682 -8.892 5.089 1.00 0.00 H new ATOM 0 HB3 ALA A 110 4.387 -8.475 4.794 1.00 0.00 H new ATOM 1674 N ASN A 111 4.868 -5.415 4.000 1.00 0.00 N ATOM 1675 CA ASN A 111 5.901 -4.400 4.120 1.00 0.00 C ATOM 1676 C ASN A 111 5.269 -3.015 3.968 1.00 0.00 C ATOM 1677 O ASN A 111 5.481 -2.137 4.803 1.00 0.00 O ATOM 1678 CB ASN A 111 6.960 -4.560 3.027 1.00 0.00 C ATOM 1679 CG ASN A 111 8.298 -3.963 3.468 1.00 0.00 C ATOM 1680 OD1 ASN A 111 9.299 -4.648 3.599 1.00 0.00 O ATOM 1681 ND2 ASN A 111 8.259 -2.652 3.689 1.00 0.00 N ATOM 0 H ASN A 111 4.814 -5.863 3.085 1.00 0.00 H new ATOM 0 HA ASN A 111 6.372 -4.511 5.097 1.00 0.00 H new ATOM 0 HB2 ASN A 111 7.089 -5.617 2.792 1.00 0.00 H new ATOM 0 HB3 ASN A 111 6.622 -4.070 2.114 1.00 0.00 H new ATOM 0 HD21 ASN A 111 9.101 -2.160 3.987 1.00 0.00 H new ATOM 0 HD22 ASN A 111 7.387 -2.139 3.560 1.00 0.00 H new ATOM 1688 N PHE A 112 4.507 -2.863 2.895 1.00 0.00 N ATOM 1689 CA PHE A 112 3.843 -1.599 2.622 1.00 0.00 C ATOM 1690 C PHE A 112 2.927 -1.200 3.781 1.00 0.00 C ATOM 1691 O PHE A 112 2.941 -0.052 4.221 1.00 0.00 O ATOM 1692 CB PHE A 112 2.996 -1.802 1.365 1.00 0.00 C ATOM 1693 CG PHE A 112 2.222 -0.556 0.928 1.00 0.00 C ATOM 1694 CD1 PHE A 112 2.888 0.600 0.664 1.00 0.00 C ATOM 1695 CD2 PHE A 112 0.869 -0.604 0.804 1.00 0.00 C ATOM 1696 CE1 PHE A 112 2.170 1.757 0.259 1.00 0.00 C ATOM 1697 CE2 PHE A 112 0.151 0.552 0.399 1.00 0.00 C ATOM 1698 CZ PHE A 112 0.817 1.708 0.135 1.00 0.00 C ATOM 0 H PHE A 112 4.334 -3.594 2.204 1.00 0.00 H new ATOM 0 HA PHE A 112 4.583 -0.810 2.491 1.00 0.00 H new ATOM 0 HB2 PHE A 112 3.646 -2.118 0.549 1.00 0.00 H new ATOM 0 HB3 PHE A 112 2.289 -2.613 1.543 1.00 0.00 H new ATOM 0 HD1 PHE A 112 3.963 0.638 0.762 1.00 0.00 H new ATOM 0 HD2 PHE A 112 0.340 -1.522 1.014 1.00 0.00 H new ATOM 0 HE1 PHE A 112 2.699 2.675 0.050 1.00 0.00 H new ATOM 0 HE2 PHE A 112 -0.924 0.513 0.301 1.00 0.00 H new ATOM 0 HZ PHE A 112 0.271 2.587 -0.173 1.00 0.00 H new ATOM 1708 N ILE A 113 2.152 -2.171 4.242 1.00 0.00 N ATOM 1709 CA ILE A 113 1.231 -1.936 5.341 1.00 0.00 C ATOM 1710 C ILE A 113 2.012 -1.431 6.556 1.00 0.00 C ATOM 1711 O ILE A 113 1.539 -0.561 7.286 1.00 0.00 O ATOM 1712 CB ILE A 113 0.399 -3.189 5.622 1.00 0.00 C ATOM 1713 CG1 ILE A 113 -0.793 -3.281 4.667 1.00 0.00 C ATOM 1714 CG2 ILE A 113 -0.035 -3.242 7.088 1.00 0.00 C ATOM 1715 CD1 ILE A 113 -0.792 -4.614 3.917 1.00 0.00 C ATOM 0 H ILE A 113 2.143 -3.122 3.874 1.00 0.00 H new ATOM 0 HA ILE A 113 0.514 -1.159 5.077 1.00 0.00 H new ATOM 0 HB ILE A 113 1.025 -4.063 5.440 1.00 0.00 H new ATOM 0 HG12 ILE A 113 -1.722 -3.176 5.228 1.00 0.00 H new ATOM 0 HG13 ILE A 113 -0.756 -2.458 3.953 1.00 0.00 H new ATOM 0 HG21 ILE A 113 -0.625 -4.142 7.261 1.00 0.00 H new ATOM 0 HG22 ILE A 113 0.847 -3.258 7.728 1.00 0.00 H new ATOM 0 HG23 ILE A 113 -0.637 -2.364 7.321 1.00 0.00 H new ATOM 0 HD11 ILE A 113 -1.649 -4.654 3.245 1.00 0.00 H new ATOM 0 HD12 ILE A 113 0.127 -4.705 3.338 1.00 0.00 H new ATOM 0 HD13 ILE A 113 -0.853 -5.434 4.632 1.00 0.00 H new ATOM 1727 N ALA A 114 3.195 -1.999 6.736 1.00 0.00 N ATOM 1728 CA ALA A 114 4.047 -1.618 7.850 1.00 0.00 C ATOM 1729 C ALA A 114 4.414 -0.138 7.722 1.00 0.00 C ATOM 1730 O ALA A 114 4.079 0.693 8.563 1.00 0.00 O ATOM 1731 CB ALA A 114 5.279 -2.524 7.885 1.00 0.00 C ATOM 0 H ALA A 114 3.584 -2.721 6.129 1.00 0.00 H new ATOM 0 HA ALA A 114 3.522 -1.747 8.796 1.00 0.00 H new ATOM 0 HB1 ALA A 114 5.918 -2.238 8.721 1.00 0.00 H new ATOM 0 HB2 ALA A 114 4.965 -3.561 8.007 1.00 0.00 H new ATOM 0 HB3 ALA A 114 5.834 -2.420 6.952 1.00 0.00 H new ATOM 1737 N TYR A 115 5.122 0.176 6.635 1.00 0.00 N ATOM 1738 CA TYR A 115 5.550 1.534 6.369 1.00 0.00 C ATOM 1739 C TYR A 115 4.366 2.482 6.490 1.00 0.00 C ATOM 1740 O TYR A 115 4.562 3.632 6.880 1.00 0.00 O ATOM 1741 CB TYR A 115 6.162 1.609 4.973 1.00 0.00 C ATOM 1742 CG TYR A 115 7.389 2.486 4.898 1.00 0.00 C ATOM 1743 CD1 TYR A 115 8.625 2.000 5.342 1.00 0.00 C ATOM 1744 CD2 TYR A 115 7.291 3.785 4.385 1.00 0.00 C ATOM 1745 CE1 TYR A 115 9.762 2.813 5.273 1.00 0.00 C ATOM 1746 CE2 TYR A 115 8.428 4.598 4.316 1.00 0.00 C ATOM 1747 CZ TYR A 115 9.664 4.112 4.760 1.00 0.00 C ATOM 1748 OH TYR A 115 10.773 4.904 4.692 1.00 0.00 O ATOM 0 H TYR A 115 5.408 -0.501 5.927 1.00 0.00 H new ATOM 0 HA TYR A 115 6.303 1.831 7.099 1.00 0.00 H new ATOM 0 HB2 TYR A 115 6.424 0.603 4.646 1.00 0.00 H new ATOM 0 HB3 TYR A 115 5.413 1.986 4.277 1.00 0.00 H new ATOM 0 HD1 TYR A 115 8.701 0.998 5.738 1.00 0.00 H new ATOM 0 HD2 TYR A 115 6.338 4.160 4.042 1.00 0.00 H new ATOM 0 HE1 TYR A 115 10.715 2.438 5.616 1.00 0.00 H new ATOM 0 HE2 TYR A 115 8.352 5.600 3.920 1.00 0.00 H new ATOM 0 HH TYR A 115 10.664 5.671 5.292 1.00 0.00 H new ATOM 1758 N LEU A 116 3.179 1.993 6.160 1.00 0.00 N ATOM 1759 CA LEU A 116 1.983 2.815 6.240 1.00 0.00 C ATOM 1760 C LEU A 116 1.623 3.041 7.709 1.00 0.00 C ATOM 1761 O LEU A 116 1.221 4.139 8.091 1.00 0.00 O ATOM 1762 CB LEU A 116 0.852 2.195 5.417 1.00 0.00 C ATOM 1763 CG LEU A 116 0.859 2.512 3.920 1.00 0.00 C ATOM 1764 CD1 LEU A 116 -0.465 2.111 3.268 1.00 0.00 C ATOM 1765 CD2 LEU A 116 1.197 3.984 3.673 1.00 0.00 C ATOM 0 H LEU A 116 3.020 1.039 5.837 1.00 0.00 H new ATOM 0 HA LEU A 116 2.164 3.796 5.802 1.00 0.00 H new ATOM 0 HB2 LEU A 116 0.892 1.113 5.539 1.00 0.00 H new ATOM 0 HB3 LEU A 116 -0.098 2.528 5.834 1.00 0.00 H new ATOM 0 HG LEU A 116 1.642 1.918 3.449 1.00 0.00 H new ATOM 0 HD11 LEU A 116 -0.433 2.347 2.204 1.00 0.00 H new ATOM 0 HD12 LEU A 116 -0.625 1.041 3.397 1.00 0.00 H new ATOM 0 HD13 LEU A 116 -1.282 2.659 3.737 1.00 0.00 H new ATOM 0 HD21 LEU A 116 1.195 4.183 2.601 1.00 0.00 H new ATOM 0 HD22 LEU A 116 0.453 4.615 4.160 1.00 0.00 H new ATOM 0 HD23 LEU A 116 2.183 4.204 4.081 1.00 0.00 H new ATOM 1777 N LEU A 117 1.779 1.985 8.493 1.00 0.00 N ATOM 1778 CA LEU A 117 1.474 2.054 9.912 1.00 0.00 C ATOM 1779 C LEU A 117 2.736 2.453 10.681 1.00 0.00 C ATOM 1780 O LEU A 117 2.837 2.212 11.883 1.00 0.00 O ATOM 1781 CB LEU A 117 0.851 0.742 10.392 1.00 0.00 C ATOM 1782 CG LEU A 117 1.823 -0.417 10.625 1.00 0.00 C ATOM 1783 CD1 LEU A 117 2.223 -0.508 12.099 1.00 0.00 C ATOM 1784 CD2 LEU A 117 1.241 -1.733 10.106 1.00 0.00 C ATOM 0 H LEU A 117 2.113 1.076 8.172 1.00 0.00 H new ATOM 0 HA LEU A 117 0.726 2.823 10.103 1.00 0.00 H new ATOM 0 HB2 LEU A 117 0.318 0.935 11.323 1.00 0.00 H new ATOM 0 HB3 LEU A 117 0.109 0.426 9.659 1.00 0.00 H new ATOM 0 HG LEU A 117 2.732 -0.221 10.056 1.00 0.00 H new ATOM 0 HD11 LEU A 117 2.914 -1.339 12.238 1.00 0.00 H new ATOM 0 HD12 LEU A 117 2.707 0.420 12.403 1.00 0.00 H new ATOM 0 HD13 LEU A 117 1.334 -0.670 12.708 1.00 0.00 H new ATOM 0 HD21 LEU A 117 1.951 -2.540 10.284 1.00 0.00 H new ATOM 0 HD22 LEU A 117 0.308 -1.949 10.627 1.00 0.00 H new ATOM 0 HD23 LEU A 117 1.048 -1.649 9.037 1.00 0.00 H new ATOM 1796 N THR A 118 3.667 3.055 9.956 1.00 0.00 N ATOM 1797 CA THR A 118 4.918 3.489 10.554 1.00 0.00 C ATOM 1798 C THR A 118 5.066 5.008 10.438 1.00 0.00 C ATOM 1799 O THR A 118 5.067 5.714 11.445 1.00 0.00 O ATOM 1800 CB THR A 118 6.055 2.715 9.887 1.00 0.00 C ATOM 1801 OG1 THR A 118 5.867 1.373 10.327 1.00 0.00 O ATOM 1802 CG2 THR A 118 7.429 3.099 10.440 1.00 0.00 C ATOM 0 H THR A 118 3.580 3.253 8.959 1.00 0.00 H new ATOM 0 HA THR A 118 4.942 3.272 11.622 1.00 0.00 H new ATOM 0 HB THR A 118 6.033 2.894 8.812 1.00 0.00 H new ATOM 0 HG1 THR A 118 5.111 0.974 9.847 1.00 0.00 H new ATOM 0 HG21 THR A 118 8.200 2.520 9.932 1.00 0.00 H new ATOM 0 HG22 THR A 118 7.604 4.162 10.273 1.00 0.00 H new ATOM 0 HG23 THR A 118 7.463 2.889 11.509 1.00 0.00 H new ATOM 1810 N GLU A 119 5.188 5.465 9.200 1.00 0.00 N ATOM 1811 CA GLU A 119 5.337 6.886 8.939 1.00 0.00 C ATOM 1812 C GLU A 119 3.977 7.513 8.622 1.00 0.00 C ATOM 1813 O GLU A 119 3.422 7.289 7.547 1.00 0.00 O ATOM 1814 CB GLU A 119 6.333 7.134 7.804 1.00 0.00 C ATOM 1815 CG GLU A 119 7.688 6.497 8.116 1.00 0.00 C ATOM 1816 CD GLU A 119 8.836 7.430 7.722 1.00 0.00 C ATOM 1817 OE1 GLU A 119 8.871 8.551 8.274 1.00 0.00 O ATOM 1818 OE2 GLU A 119 9.651 7.001 6.877 1.00 0.00 O ATOM 0 H GLU A 119 5.187 4.876 8.367 1.00 0.00 H new ATOM 0 HA GLU A 119 5.734 7.361 9.836 1.00 0.00 H new ATOM 0 HB2 GLU A 119 5.940 6.724 6.874 1.00 0.00 H new ATOM 0 HB3 GLU A 119 6.457 8.206 7.652 1.00 0.00 H new ATOM 0 HG2 GLU A 119 7.750 6.268 9.180 1.00 0.00 H new ATOM 0 HG3 GLU A 119 7.782 5.552 7.580 1.00 0.00 H new ATOM 1825 N THR A 120 3.480 8.285 9.577 1.00 0.00 N ATOM 1826 CA THR A 120 2.196 8.946 9.413 1.00 0.00 C ATOM 1827 C THR A 120 2.305 10.424 9.792 1.00 0.00 C ATOM 1828 O THR A 120 1.550 10.910 10.633 1.00 0.00 O ATOM 1829 CB THR A 120 1.162 8.180 10.241 1.00 0.00 C ATOM 1830 OG1 THR A 120 1.855 7.848 11.441 1.00 0.00 O ATOM 1831 CG2 THR A 120 0.808 6.824 9.627 1.00 0.00 C ATOM 0 H THR A 120 3.943 8.468 10.467 1.00 0.00 H new ATOM 0 HA THR A 120 1.874 8.934 8.372 1.00 0.00 H new ATOM 0 HB THR A 120 0.258 8.781 10.338 1.00 0.00 H new ATOM 0 HG1 THR A 120 1.257 7.351 12.037 1.00 0.00 H new ATOM 0 HG21 THR A 120 0.071 6.322 10.254 1.00 0.00 H new ATOM 0 HG22 THR A 120 0.395 6.973 8.629 1.00 0.00 H new ATOM 0 HG23 THR A 120 1.706 6.209 9.560 1.00 0.00 H new ATOM 1839 N LYS A 121 3.250 11.098 9.152 1.00 0.00 N ATOM 1840 CA LYS A 121 3.467 12.511 9.412 1.00 0.00 C ATOM 1841 C LYS A 121 3.537 13.264 8.082 1.00 0.00 C ATOM 1842 O LYS A 121 4.556 13.284 7.396 1.00 0.00 O ATOM 1843 CB LYS A 121 4.698 12.710 10.297 1.00 0.00 C ATOM 1844 CG LYS A 121 4.551 11.955 11.619 1.00 0.00 C ATOM 1845 CD LYS A 121 5.907 11.785 12.308 1.00 0.00 C ATOM 1846 CE LYS A 121 5.760 11.844 13.830 1.00 0.00 C ATOM 1847 NZ LYS A 121 4.904 10.737 14.311 1.00 0.00 N ATOM 0 H LYS A 121 3.874 10.692 8.454 1.00 0.00 H new ATOM 0 HA LYS A 121 2.630 12.929 9.972 1.00 0.00 H new ATOM 0 HB2 LYS A 121 5.588 12.362 9.772 1.00 0.00 H new ATOM 0 HB3 LYS A 121 4.840 13.772 10.495 1.00 0.00 H new ATOM 0 HG2 LYS A 121 3.870 12.496 12.277 1.00 0.00 H new ATOM 0 HG3 LYS A 121 4.107 10.976 11.436 1.00 0.00 H new ATOM 0 HD2 LYS A 121 6.349 10.832 12.018 1.00 0.00 H new ATOM 0 HD3 LYS A 121 6.589 12.567 11.974 1.00 0.00 H new ATOM 0 HE2 LYS A 121 6.742 11.782 14.299 1.00 0.00 H new ATOM 0 HE3 LYS A 121 5.327 12.800 14.123 1.00 0.00 H new ATOM 0 HZ1 LYS A 121 4.937 10.699 15.350 1.00 0.00 H new ATOM 0 HZ2 LYS A 121 3.924 10.896 14.001 1.00 0.00 H new ATOM 0 HZ3 LYS A 121 5.248 9.837 13.920 1.00 0.00 H new ATOM 1861 N PRO A 122 2.413 13.892 7.729 1.00 0.00 N ATOM 1862 CA PRO A 122 2.256 14.665 6.516 1.00 0.00 C ATOM 1863 C PRO A 122 3.339 15.731 6.446 1.00 0.00 C ATOM 1864 O PRO A 122 3.830 16.149 7.494 1.00 0.00 O ATOM 1865 CB PRO A 122 0.871 15.297 6.630 1.00 0.00 C ATOM 1866 CG PRO A 122 0.118 14.416 7.566 1.00 0.00 C ATOM 1867 CD PRO A 122 1.196 13.890 8.512 1.00 0.00 C ATOM 0 HA PRO A 122 2.346 14.061 5.613 1.00 0.00 H new ATOM 0 HB2 PRO A 122 0.933 16.316 7.012 1.00 0.00 H new ATOM 0 HB3 PRO A 122 0.381 15.350 5.658 1.00 0.00 H new ATOM 0 HG2 PRO A 122 -0.652 14.968 8.104 1.00 0.00 H new ATOM 0 HG3 PRO A 122 -0.382 13.604 7.038 1.00 0.00 H new ATOM 0 HD2 PRO A 122 1.292 14.525 9.393 1.00 0.00 H new ATOM 0 HD3 PRO A 122 0.956 12.887 8.866 1.00 0.00 H new ATOM 1875 N THR A 123 3.689 16.145 5.237 1.00 0.00 N ATOM 1876 CA THR A 123 4.714 17.160 5.060 1.00 0.00 C ATOM 1877 C THR A 123 4.517 17.891 3.731 1.00 0.00 C ATOM 1878 O THR A 123 5.423 17.928 2.899 1.00 0.00 O ATOM 1879 CB THR A 123 6.078 16.479 5.183 1.00 0.00 C ATOM 1880 OG1 THR A 123 7.013 17.545 5.041 1.00 0.00 O ATOM 1881 CG2 THR A 123 6.382 15.557 4.000 1.00 0.00 C ATOM 0 H THR A 123 3.281 15.796 4.370 1.00 0.00 H new ATOM 0 HA THR A 123 4.647 17.929 5.830 1.00 0.00 H new ATOM 0 HB THR A 123 6.114 15.905 6.109 1.00 0.00 H new ATOM 0 HG1 THR A 123 6.898 17.966 4.163 1.00 0.00 H new ATOM 0 HG21 THR A 123 7.362 15.099 4.138 1.00 0.00 H new ATOM 0 HG22 THR A 123 5.622 14.778 3.942 1.00 0.00 H new ATOM 0 HG23 THR A 123 6.379 16.137 3.077 1.00 0.00 H new ATOM 1889 N LYS A 124 3.329 18.454 3.572 1.00 0.00 N ATOM 1890 CA LYS A 124 3.002 19.182 2.358 1.00 0.00 C ATOM 1891 C LYS A 124 4.200 20.039 1.944 1.00 0.00 C ATOM 1892 O LYS A 124 4.595 20.038 0.779 1.00 0.00 O ATOM 1893 CB LYS A 124 1.710 19.980 2.543 1.00 0.00 C ATOM 1894 CG LYS A 124 1.877 21.051 3.622 1.00 0.00 C ATOM 1895 CD LYS A 124 2.079 22.433 2.997 1.00 0.00 C ATOM 1896 CE LYS A 124 3.549 22.851 3.056 1.00 0.00 C ATOM 1897 NZ LYS A 124 4.018 23.287 1.721 1.00 0.00 N ATOM 1898 OXT LYS A 124 4.742 20.725 2.837 1.00 0.00 O ATOM 0 H LYS A 124 2.580 18.421 4.264 1.00 0.00 H new ATOM 0 HA LYS A 124 2.807 18.489 1.539 1.00 0.00 H new ATOM 0 HB2 LYS A 124 1.430 20.449 1.600 1.00 0.00 H new ATOM 0 HB3 LYS A 124 0.898 19.306 2.817 1.00 0.00 H new ATOM 0 HG2 LYS A 124 0.997 21.064 4.265 1.00 0.00 H new ATOM 0 HG3 LYS A 124 2.731 20.806 4.254 1.00 0.00 H new ATOM 0 HD2 LYS A 124 1.742 22.420 1.960 1.00 0.00 H new ATOM 0 HD3 LYS A 124 1.467 23.167 3.522 1.00 0.00 H new ATOM 0 HE2 LYS A 124 3.674 23.661 3.774 1.00 0.00 H new ATOM 0 HE3 LYS A 124 4.157 22.017 3.407 1.00 0.00 H new ATOM 0 HZ1 LYS A 124 5.041 23.470 1.755 1.00 0.00 H new ATOM 0 HZ2 LYS A 124 3.823 22.540 1.024 1.00 0.00 H new ATOM 0 HZ3 LYS A 124 3.520 24.157 1.445 1.00 0.00 H new TER 1912 LYS A 124 HETATM 1913 FE HEC A 125 -3.502 2.714 -5.325 1.00 0.00 FE HETATM 1914 CHA HEC A 125 -6.367 2.666 -3.401 1.00 0.00 C HETATM 1915 CHB HEC A 125 -1.883 0.821 -2.937 1.00 0.00 C HETATM 1916 CHC HEC A 125 -0.655 2.602 -7.300 1.00 0.00 C HETATM 1917 CHD HEC A 125 -5.121 4.664 -7.665 1.00 0.00 C HETATM 1918 NA HEC A 125 -4.020 1.918 -3.542 1.00 0.00 N HETATM 1919 C1A HEC A 125 -5.250 1.996 -2.912 1.00 0.00 C HETATM 1920 C2A HEC A 125 -5.218 1.277 -1.660 1.00 0.00 C HETATM 1921 C3A HEC A 125 -3.977 0.765 -1.528 1.00 0.00 C HETATM 1922 C4A HEC A 125 -3.227 1.161 -2.698 1.00 0.00 C HETATM 1923 CMA HEC A 125 -3.434 -0.064 -0.401 1.00 0.00 C HETATM 1924 CAA HEC A 125 -6.376 1.151 -0.713 1.00 0.00 C HETATM 1925 CBA HEC A 125 -6.807 2.471 -0.081 1.00 0.00 C HETATM 1926 CGA HEC A 125 -8.304 2.481 0.198 1.00 0.00 C HETATM 1927 O1A HEC A 125 -8.659 2.430 1.395 1.00 0.00 O HETATM 1928 O2A HEC A 125 -9.065 2.540 -0.793 1.00 0.00 O HETATM 1929 NB HEC A 125 -1.627 1.942 -5.119 1.00 0.00 N HETATM 1930 C1B HEC A 125 -1.202 1.082 -4.121 1.00 0.00 C HETATM 1931 C2B HEC A 125 0.061 0.482 -4.480 1.00 0.00 C HETATM 1932 C3B HEC A 125 0.404 0.974 -5.689 1.00 0.00 C HETATM 1933 C4B HEC A 125 -0.643 1.883 -6.091 1.00 0.00 C HETATM 1934 CMB HEC A 125 0.816 -0.501 -3.634 1.00 0.00 C HETATM 1935 CAB HEC A 125 1.630 0.664 -6.499 1.00 0.00 C HETATM 1936 CBB HEC A 125 1.851 -0.826 -6.744 1.00 0.00 C HETATM 1937 NC HEC A 125 -3.024 3.441 -7.169 1.00 0.00 N HETATM 1938 C1C HEC A 125 -1.764 3.463 -7.741 1.00 0.00 C HETATM 1939 C2C HEC A 125 -1.727 4.404 -8.836 1.00 0.00 C HETATM 1940 C3C HEC A 125 -2.957 4.951 -8.931 1.00 0.00 C HETATM 1941 C4C HEC A 125 -3.768 4.354 -7.896 1.00 0.00 C HETATM 1942 CMC HEC A 125 -0.521 4.688 -9.684 1.00 0.00 C HETATM 1943 CAC HEC A 125 -3.436 5.984 -9.909 1.00 0.00 C HETATM 1944 CBC HEC A 125 -3.329 5.553 -11.369 1.00 0.00 C HETATM 1945 ND HEC A 125 -5.337 3.557 -5.470 1.00 0.00 N HETATM 1946 C1D HEC A 125 -5.854 4.225 -6.567 1.00 0.00 C HETATM 1947 C2D HEC A 125 -7.278 4.409 -6.416 1.00 0.00 C HETATM 1948 C3D HEC A 125 -7.627 3.856 -5.235 1.00 0.00 C HETATM 1949 C4D HEC A 125 -6.422 3.325 -4.643 1.00 0.00 C HETATM 1950 CMD HEC A 125 -8.166 5.094 -7.414 1.00 0.00 C HETATM 1951 CAD HEC A 125 -8.992 3.784 -4.616 1.00 0.00 C HETATM 1952 CBD HEC A 125 -9.193 4.739 -3.442 1.00 0.00 C HETATM 1953 CGD HEC A 125 -10.458 5.566 -3.619 1.00 0.00 C HETATM 1954 O1D HEC A 125 -11.499 4.951 -3.936 1.00 0.00 O HETATM 1955 O2D HEC A 125 -10.361 6.799 -3.435 1.00 0.00 O HETATM 0 HMD3 HEC A 125 -7.832 6.122 -7.553 1.00 0.00 H new HETATM 0 HMD2 HEC A 125 -8.119 4.565 -8.366 1.00 0.00 H new HETATM 0 HMD1 HEC A 125 -9.193 5.093 -7.049 1.00 0.00 H new HETATM 0 HMC3 HEC A 125 0.287 5.061 -9.054 1.00 0.00 H new HETATM 0 HMC2 HEC A 125 -0.201 3.772 -10.180 1.00 0.00 H new HETATM 0 HMC1 HEC A 125 -0.772 5.437 -10.435 1.00 0.00 H new HETATM 0 HMB3 HEC A 125 1.062 -0.043 -2.676 1.00 0.00 H new HETATM 0 HMB2 HEC A 125 0.200 -1.385 -3.466 1.00 0.00 H new HETATM 0 HMB1 HEC A 125 1.734 -0.790 -4.145 1.00 0.00 H new HETATM 0 HMA3 HEC A 125 -3.496 0.501 0.529 1.00 0.00 H new HETATM 0 HMA2 HEC A 125 -4.018 -0.980 -0.309 1.00 0.00 H new HETATM 0 HMA1 HEC A 125 -2.393 -0.316 -0.604 1.00 0.00 H new HETATM 0 HBD2 HEC A 125 -9.253 4.171 -2.513 1.00 0.00 H new HETATM 0 HBD1 HEC A 125 -8.331 5.401 -3.356 1.00 0.00 H new HETATM 0 HBC3 HEC A 125 -2.287 5.340 -11.610 1.00 0.00 H new HETATM 0 HBC2 HEC A 125 -3.929 4.657 -11.529 1.00 0.00 H new HETATM 0 HBC1 HEC A 125 -3.694 6.353 -12.012 1.00 0.00 H new HETATM 0 HBB3 HEC A 125 1.958 -1.340 -5.789 1.00 0.00 H new HETATM 0 HBB2 HEC A 125 0.997 -1.237 -7.283 1.00 0.00 H new HETATM 0 HBB1 HEC A 125 2.756 -0.967 -7.336 1.00 0.00 H new HETATM 0 HBA2 HEC A 125 -6.260 2.629 0.848 1.00 0.00 H new HETATM 0 HBA1 HEC A 125 -6.552 3.297 -0.746 1.00 0.00 H new HETATM 0 HAD2 HEC A 125 -9.738 4.002 -5.380 1.00 0.00 H new HETATM 0 HAD1 HEC A 125 -9.172 2.764 -4.276 1.00 0.00 H new HETATM 0 HAA2 HEC A 125 -7.224 0.722 -1.247 1.00 0.00 H new HETATM 0 HAA1 HEC A 125 -6.110 0.451 0.079 1.00 0.00 H new HETATM 0 HHD HEC A 125 -5.630 5.291 -8.397 1.00 0.00 H new HETATM 0 HHC HEC A 125 0.214 2.516 -7.953 1.00 0.00 H new HETATM 0 HHB HEC A 125 -1.337 0.318 -2.139 1.00 0.00 H new HETATM 0 HHA HEC A 125 -7.262 2.681 -2.779 1.00 0.00 H new HETATM 0 H2D HEC A 125 -11.234 7.221 -3.579 1.00 0.00 H new HETATM 0 H2A HEC A 125 -9.976 2.301 -0.521 1.00 0.00 H new