USER MOD reduce.3.24.130724 H: found=0, std=0, add=1114, rem=0, adj=38 USER MOD reduce.3.24.130724 removed 1109 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 109 ASN : amide:sc= 0.411 K(o=-1.9,f=-6!) USER MOD Set 1.2: A 112 ASN : amide:sc= -2.28! C(o=-1.9!,f=-12!) USER MOD Set 2.1: A 13 MET CE :methyl 179:sc= 0 (180deg=-0.00223) USER MOD Set 2.2: A 32 THR OG1 : rot 138:sc= 0.902 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= -0.252 USER MOD Single : A 3 SER OG : rot 35:sc= 0.124 USER MOD Single : A 5 SER OG : rot 60:sc= 0.445 USER MOD Single : A 6 SER OG : rot 26:sc= 0.186 USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 SER OG : rot -104:sc= 1.04 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 17 ASN : amide:sc= 0 K(o=0,f=-0.95) USER MOD Single : A 20 ASN :FLIP amide:sc= -0.177 F(o=-0.83,f=-0.18) USER MOD Single : A 24 SER OG : rot 28:sc= -1.16 USER MOD Single : A 25 GLN :FLIP amide:sc= -0.173 F(o=-0.81,f=-0.17) USER MOD Single : A 26 GLN : amide:sc= -0.139 K(o=-0.14,f=-2.1!) USER MOD Single : A 27 LYS NZ :NH3+ -160:sc= 0.178 (180deg=0.0578) USER MOD Single : A 31 SER OG : rot -91:sc= 1.32 USER MOD Single : A 33 THR OG1 : rot 71:sc= -0.967 USER MOD Single : A 35 SER OG : rot -39:sc=1.23e-05 USER MOD Single : A 36 ASN :FLIP amide:sc= -3.78 F(o=-4.9!,f=-3.8) USER MOD Single : A 39 LYS NZ :NH3+ -120:sc= 0.698 (180deg=-0.496) USER MOD Single : A 41 ASN : amide:sc= -2.04 K(o=-2,f=-16!) USER MOD Single : A 47 SER OG : rot -105:sc= 0.714 USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot 180:sc= -0.696 USER MOD Single : A 57 GLN : amide:sc= -3.34! C(o=-3.3!,f=-3.1!) USER MOD Single : A 59 SER OG : rot -65:sc= 1.21 USER MOD Single : A 61 HIS : no HD1:sc= -1.72 K(o=-1.7,f=-4.5!) USER MOD Single : A 63 GLN :FLIP amide:sc= -1.08 F(o=-1.6,f=-1.1) USER MOD Single : A 66 SER OG : rot -132:sc= 0.0274! USER MOD Single : A 68 MET CE :methyl -179:sc= -0.712 (180deg=-0.734) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot -160:sc= 0 USER MOD Single : A 76 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0101) USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 78 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 90 LYS NZ :NH3+ 150:sc= 0.616 (180deg=-0.647) USER MOD Single : A 96 LYS NZ :NH3+ -150:sc= 0 (180deg=-0.967) USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 102 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 105 HIS : no HE2:sc= -1.51! C(o=-1.5!,f=-7.4!) USER MOD Single : A 106 HIS : no HD1:sc= -5.16 K(o=-5.2,f=-7!) USER MOD Single : A 114 ASN : amide:sc= -1.17 X(o=-1.2,f=-1.4) USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 116 LYS NZ :NH3+ -135:sc= 0 (180deg=-0.701) USER MOD Single : A 118 GLN : amide:sc= -4.05! C(o=-4!,f=-13!) USER MOD Single : A 120 SER OG : rot -95:sc= 0.206 USER MOD Single : A 124 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 129 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 133 GLN :FLIP amide:sc= -2.55 F(o=-3.5!,f=-2.6) USER MOD Single : A 136 GLN : amide:sc= -2.27! C(o=-2.3!,f=-2.7!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -24.580 -12.553 2.097 1.00 0.00 N ATOM 2 CA GLY A 1 -23.672 -12.883 3.180 1.00 0.00 C ATOM 3 C GLY A 1 -24.180 -12.410 4.527 1.00 0.00 C ATOM 4 O GLY A 1 -24.248 -13.187 5.480 1.00 0.00 O ATOM 0 H1 GLY A 1 -24.187 -12.898 1.198 1.00 0.00 H new ATOM 0 H2 GLY A 1 -25.502 -13.003 2.268 1.00 0.00 H new ATOM 0 H3 GLY A 1 -24.702 -11.521 2.049 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -23.524 -13.962 3.210 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -22.699 -12.433 2.984 1.00 0.00 H new ATOM 8 N SER A 2 -24.537 -11.133 4.609 1.00 0.00 N ATOM 9 CA SER A 2 -25.036 -10.556 5.851 1.00 0.00 C ATOM 10 C SER A 2 -24.277 -11.112 7.052 1.00 0.00 C ATOM 11 O SER A 2 -24.867 -11.410 8.090 1.00 0.00 O ATOM 12 CB SER A 2 -26.532 -10.839 6.004 1.00 0.00 C ATOM 13 OG SER A 2 -26.811 -12.218 5.835 1.00 0.00 O ATOM 0 H SER A 2 -24.490 -10.477 3.829 1.00 0.00 H new ATOM 0 HA SER A 2 -24.879 -9.478 5.811 1.00 0.00 H new ATOM 0 HB2 SER A 2 -26.867 -10.515 6.989 1.00 0.00 H new ATOM 0 HB3 SER A 2 -27.092 -10.259 5.270 1.00 0.00 H new ATOM 0 HG SER A 2 -27.773 -12.372 5.939 1.00 0.00 H new ATOM 19 N SER A 3 -22.963 -11.249 6.902 1.00 0.00 N ATOM 20 CA SER A 3 -22.122 -11.772 7.971 1.00 0.00 C ATOM 21 C SER A 3 -21.617 -10.645 8.867 1.00 0.00 C ATOM 22 O SER A 3 -21.746 -10.702 10.089 1.00 0.00 O ATOM 23 CB SER A 3 -20.937 -12.543 7.386 1.00 0.00 C ATOM 24 OG SER A 3 -21.373 -13.705 6.702 1.00 0.00 O ATOM 0 H SER A 3 -22.458 -11.005 6.050 1.00 0.00 H new ATOM 0 HA SER A 3 -22.725 -12.450 8.575 1.00 0.00 H new ATOM 0 HB2 SER A 3 -20.383 -11.900 6.702 1.00 0.00 H new ATOM 0 HB3 SER A 3 -20.251 -12.823 8.185 1.00 0.00 H new ATOM 0 HG SER A 3 -22.235 -13.527 6.271 1.00 0.00 H new ATOM 30 N GLY A 4 -21.041 -9.618 8.248 1.00 0.00 N ATOM 31 CA GLY A 4 -20.525 -8.492 9.003 1.00 0.00 C ATOM 32 C GLY A 4 -19.847 -7.463 8.119 1.00 0.00 C ATOM 33 O GLY A 4 -20.501 -6.793 7.321 1.00 0.00 O ATOM 0 H GLY A 4 -20.923 -9.547 7.237 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -21.342 -8.018 9.546 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -19.814 -8.852 9.747 1.00 0.00 H new ATOM 37 N SER A 5 -18.532 -7.337 8.263 1.00 0.00 N ATOM 38 CA SER A 5 -17.765 -6.379 7.475 1.00 0.00 C ATOM 39 C SER A 5 -16.526 -7.037 6.875 1.00 0.00 C ATOM 40 O SER A 5 -15.432 -6.474 6.912 1.00 0.00 O ATOM 41 CB SER A 5 -17.355 -5.187 8.342 1.00 0.00 C ATOM 42 OG SER A 5 -16.340 -5.550 9.262 1.00 0.00 O ATOM 0 H SER A 5 -17.975 -7.886 8.918 1.00 0.00 H new ATOM 0 HA SER A 5 -18.397 -6.026 6.660 1.00 0.00 H new ATOM 0 HB2 SER A 5 -17.000 -4.376 7.706 1.00 0.00 H new ATOM 0 HB3 SER A 5 -18.223 -4.811 8.883 1.00 0.00 H new ATOM 0 HG SER A 5 -15.556 -5.875 8.772 1.00 0.00 H new ATOM 48 N SER A 6 -16.707 -8.232 6.323 1.00 0.00 N ATOM 49 CA SER A 6 -15.604 -8.970 5.718 1.00 0.00 C ATOM 50 C SER A 6 -15.254 -8.397 4.348 1.00 0.00 C ATOM 51 O SER A 6 -16.103 -8.316 3.462 1.00 0.00 O ATOM 52 CB SER A 6 -15.964 -10.451 5.588 1.00 0.00 C ATOM 53 OG SER A 6 -17.177 -10.620 4.874 1.00 0.00 O ATOM 0 H SER A 6 -17.607 -8.710 6.282 1.00 0.00 H new ATOM 0 HA SER A 6 -14.734 -8.871 6.367 1.00 0.00 H new ATOM 0 HB2 SER A 6 -15.160 -10.980 5.076 1.00 0.00 H new ATOM 0 HB3 SER A 6 -16.057 -10.894 6.579 1.00 0.00 H new ATOM 0 HG SER A 6 -17.314 -9.855 4.277 1.00 0.00 H new ATOM 59 N GLY A 7 -13.995 -8.000 4.183 1.00 0.00 N ATOM 60 CA GLY A 7 -13.554 -7.440 2.920 1.00 0.00 C ATOM 61 C GLY A 7 -12.085 -7.065 2.933 1.00 0.00 C ATOM 62 O GLY A 7 -11.402 -7.239 3.942 1.00 0.00 O ATOM 0 H GLY A 7 -13.274 -8.057 4.902 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -13.734 -8.162 2.123 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -14.149 -6.556 2.690 1.00 0.00 H new ATOM 66 N VAL A 8 -11.597 -6.550 1.809 1.00 0.00 N ATOM 67 CA VAL A 8 -10.200 -6.150 1.696 1.00 0.00 C ATOM 68 C VAL A 8 -9.965 -4.784 2.331 1.00 0.00 C ATOM 69 O VAL A 8 -10.833 -3.912 2.290 1.00 0.00 O ATOM 70 CB VAL A 8 -9.747 -6.103 0.224 1.00 0.00 C ATOM 71 CG1 VAL A 8 -10.746 -5.324 -0.618 1.00 0.00 C ATOM 72 CG2 VAL A 8 -8.357 -5.496 0.113 1.00 0.00 C ATOM 0 H VAL A 8 -12.148 -6.400 0.964 1.00 0.00 H new ATOM 0 HA VAL A 8 -9.613 -6.900 2.226 1.00 0.00 H new ATOM 0 HB VAL A 8 -9.704 -7.123 -0.157 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -10.409 -5.302 -1.654 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -11.722 -5.807 -0.564 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -10.824 -4.305 -0.240 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -8.053 -5.471 -0.934 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -8.370 -4.482 0.511 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -7.650 -6.100 0.681 1.00 0.00 H new ATOM 82 N ARG A 9 -8.786 -4.606 2.918 1.00 0.00 N ATOM 83 CA ARG A 9 -8.437 -3.346 3.564 1.00 0.00 C ATOM 84 C ARG A 9 -7.485 -2.533 2.691 1.00 0.00 C ATOM 85 O ARG A 9 -6.973 -3.027 1.686 1.00 0.00 O ATOM 86 CB ARG A 9 -7.797 -3.608 4.929 1.00 0.00 C ATOM 87 CG ARG A 9 -8.646 -4.477 5.842 1.00 0.00 C ATOM 88 CD ARG A 9 -9.585 -3.638 6.695 1.00 0.00 C ATOM 89 NE ARG A 9 -10.865 -3.404 6.031 1.00 0.00 N ATOM 90 CZ ARG A 9 -11.665 -2.382 6.316 1.00 0.00 C ATOM 91 NH1 ARG A 9 -11.318 -1.505 7.248 1.00 0.00 N ATOM 92 NH2 ARG A 9 -12.813 -2.237 5.669 1.00 0.00 N ATOM 0 H ARG A 9 -8.057 -5.318 2.960 1.00 0.00 H new ATOM 0 HA ARG A 9 -9.353 -2.772 3.704 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -6.829 -4.088 4.781 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -7.608 -2.654 5.422 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -9.226 -5.178 5.242 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -7.998 -5.070 6.488 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -9.757 -4.141 7.647 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -9.113 -2.682 6.920 1.00 0.00 H new ATOM 0 HE ARG A 9 -11.161 -4.061 5.309 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -10.436 -1.614 7.748 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -11.934 -0.721 7.465 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -13.083 -2.910 4.952 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -13.426 -1.452 5.888 1.00 0.00 H new ATOM 106 N TYR A 10 -7.253 -1.285 3.082 1.00 0.00 N ATOM 107 CA TYR A 10 -6.365 -0.403 2.334 1.00 0.00 C ATOM 108 C TYR A 10 -5.323 0.228 3.253 1.00 0.00 C ATOM 109 O TYR A 10 -5.661 0.845 4.263 1.00 0.00 O ATOM 110 CB TYR A 10 -7.172 0.691 1.632 1.00 0.00 C ATOM 111 CG TYR A 10 -8.230 0.156 0.694 1.00 0.00 C ATOM 112 CD1 TYR A 10 -9.282 -0.616 1.170 1.00 0.00 C ATOM 113 CD2 TYR A 10 -8.178 0.424 -0.668 1.00 0.00 C ATOM 114 CE1 TYR A 10 -10.251 -1.107 0.316 1.00 0.00 C ATOM 115 CE2 TYR A 10 -9.143 -0.062 -1.529 1.00 0.00 C ATOM 116 CZ TYR A 10 -10.177 -0.827 -1.032 1.00 0.00 C ATOM 117 OH TYR A 10 -11.140 -1.314 -1.886 1.00 0.00 O ATOM 0 H TYR A 10 -7.667 -0.861 3.912 1.00 0.00 H new ATOM 0 HA TYR A 10 -5.847 -1.001 1.584 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -7.650 1.318 2.385 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -6.490 1.330 1.071 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -9.344 -0.836 2.226 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -7.369 1.023 -1.061 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -11.062 -1.707 0.702 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -9.088 0.156 -2.585 1.00 0.00 H new ATOM 0 HH TYR A 10 -10.942 -1.025 -2.801 1.00 0.00 H new ATOM 127 N PHE A 11 -4.054 0.068 2.894 1.00 0.00 N ATOM 128 CA PHE A 11 -2.960 0.621 3.685 1.00 0.00 C ATOM 129 C PHE A 11 -2.034 1.467 2.816 1.00 0.00 C ATOM 130 O PHE A 11 -2.067 1.380 1.588 1.00 0.00 O ATOM 131 CB PHE A 11 -2.166 -0.504 4.352 1.00 0.00 C ATOM 132 CG PHE A 11 -2.959 -1.279 5.365 1.00 0.00 C ATOM 133 CD1 PHE A 11 -3.139 -0.787 6.648 1.00 0.00 C ATOM 134 CD2 PHE A 11 -3.526 -2.500 5.035 1.00 0.00 C ATOM 135 CE1 PHE A 11 -3.868 -1.497 7.583 1.00 0.00 C ATOM 136 CE2 PHE A 11 -4.257 -3.214 5.965 1.00 0.00 C ATOM 137 CZ PHE A 11 -4.427 -2.713 7.241 1.00 0.00 C ATOM 0 H PHE A 11 -3.757 -0.440 2.061 1.00 0.00 H new ATOM 0 HA PHE A 11 -3.389 1.260 4.457 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -1.806 -1.188 3.584 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -1.288 -0.079 4.838 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -2.704 0.163 6.921 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -3.395 -2.898 4.040 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -4.000 -1.102 8.579 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -4.695 -4.163 5.694 1.00 0.00 H new ATOM 0 HZ PHE A 11 -4.996 -3.271 7.970 1.00 0.00 H new ATOM 147 N ILE A 12 -1.210 2.284 3.463 1.00 0.00 N ATOM 148 CA ILE A 12 -0.274 3.145 2.750 1.00 0.00 C ATOM 149 C ILE A 12 1.168 2.817 3.122 1.00 0.00 C ATOM 150 O ILE A 12 1.549 2.884 4.290 1.00 0.00 O ATOM 151 CB ILE A 12 -0.542 4.633 3.045 1.00 0.00 C ATOM 152 CG1 ILE A 12 -1.903 5.049 2.483 1.00 0.00 C ATOM 153 CG2 ILE A 12 0.565 5.497 2.459 1.00 0.00 C ATOM 154 CD1 ILE A 12 -1.922 5.177 0.976 1.00 0.00 C ATOM 0 H ILE A 12 -1.171 2.368 4.479 1.00 0.00 H new ATOM 0 HA ILE A 12 -0.423 2.961 1.686 1.00 0.00 H new ATOM 0 HB ILE A 12 -0.556 4.778 4.125 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -2.651 4.317 2.787 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -2.193 6.003 2.924 1.00 0.00 H new ATOM 0 HG21 ILE A 12 0.361 6.546 2.676 1.00 0.00 H new ATOM 0 HG22 ILE A 12 1.520 5.214 2.901 1.00 0.00 H new ATOM 0 HG23 ILE A 12 0.608 5.351 1.380 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -2.918 5.475 0.649 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -1.198 5.930 0.666 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -1.664 4.218 0.526 1.00 0.00 H new ATOM 166 N MET A 13 1.965 2.463 2.120 1.00 0.00 N ATOM 167 CA MET A 13 3.367 2.127 2.341 1.00 0.00 C ATOM 168 C MET A 13 4.282 3.194 1.748 1.00 0.00 C ATOM 169 O MET A 13 4.426 3.295 0.529 1.00 0.00 O ATOM 170 CB MET A 13 3.690 0.763 1.728 1.00 0.00 C ATOM 171 CG MET A 13 3.484 -0.398 2.687 1.00 0.00 C ATOM 172 SD MET A 13 4.327 -0.155 4.263 1.00 0.00 S ATOM 173 CE MET A 13 3.020 -0.575 5.414 1.00 0.00 C ATOM 0 H MET A 13 1.665 2.401 1.147 1.00 0.00 H new ATOM 0 HA MET A 13 3.539 2.083 3.416 1.00 0.00 H new ATOM 0 HB2 MET A 13 3.065 0.612 0.848 1.00 0.00 H new ATOM 0 HB3 MET A 13 4.725 0.763 1.387 1.00 0.00 H new ATOM 0 HG2 MET A 13 2.417 -0.531 2.867 1.00 0.00 H new ATOM 0 HG3 MET A 13 3.846 -1.316 2.223 1.00 0.00 H new ATOM 0 HE1 MET A 13 3.393 -0.490 6.435 1.00 0.00 H new ATOM 0 HE2 MET A 13 2.181 0.107 5.276 1.00 0.00 H new ATOM 0 HE3 MET A 13 2.690 -1.598 5.232 1.00 0.00 H new ATOM 183 N LYS A 14 4.899 3.988 2.616 1.00 0.00 N ATOM 184 CA LYS A 14 5.801 5.046 2.179 1.00 0.00 C ATOM 185 C LYS A 14 7.236 4.536 2.090 1.00 0.00 C ATOM 186 O LYS A 14 7.715 3.843 2.987 1.00 0.00 O ATOM 187 CB LYS A 14 5.730 6.235 3.140 1.00 0.00 C ATOM 188 CG LYS A 14 4.314 6.595 3.558 1.00 0.00 C ATOM 189 CD LYS A 14 3.591 7.369 2.468 1.00 0.00 C ATOM 190 CE LYS A 14 4.327 8.652 2.113 1.00 0.00 C ATOM 191 NZ LYS A 14 3.446 9.617 1.400 1.00 0.00 N ATOM 0 H LYS A 14 4.790 3.918 3.628 1.00 0.00 H new ATOM 0 HA LYS A 14 5.487 5.369 1.187 1.00 0.00 H new ATOM 0 HB2 LYS A 14 6.316 6.007 4.030 1.00 0.00 H new ATOM 0 HB3 LYS A 14 6.192 7.102 2.667 1.00 0.00 H new ATOM 0 HG2 LYS A 14 3.759 5.685 3.789 1.00 0.00 H new ATOM 0 HG3 LYS A 14 4.343 7.191 4.470 1.00 0.00 H new ATOM 0 HD2 LYS A 14 3.496 6.745 1.579 1.00 0.00 H new ATOM 0 HD3 LYS A 14 2.580 7.608 2.799 1.00 0.00 H new ATOM 0 HE2 LYS A 14 4.711 9.114 3.023 1.00 0.00 H new ATOM 0 HE3 LYS A 14 5.188 8.416 1.488 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 3.984 10.478 1.176 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 3.100 9.186 0.519 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 2.638 9.862 2.006 1.00 0.00 H new ATOM 205 N SER A 15 7.917 4.886 1.003 1.00 0.00 N ATOM 206 CA SER A 15 9.297 4.461 0.797 1.00 0.00 C ATOM 207 C SER A 15 10.225 5.666 0.684 1.00 0.00 C ATOM 208 O SER A 15 9.934 6.623 -0.034 1.00 0.00 O ATOM 209 CB SER A 15 9.404 3.601 -0.464 1.00 0.00 C ATOM 210 OG SER A 15 10.758 3.323 -0.778 1.00 0.00 O ATOM 0 H SER A 15 7.536 5.462 0.252 1.00 0.00 H new ATOM 0 HA SER A 15 9.602 3.869 1.660 1.00 0.00 H new ATOM 0 HB2 SER A 15 8.862 2.667 -0.318 1.00 0.00 H new ATOM 0 HB3 SER A 15 8.932 4.116 -1.301 1.00 0.00 H new ATOM 0 HG SER A 15 11.038 3.877 -1.536 1.00 0.00 H new ATOM 216 N SER A 16 11.344 5.613 1.399 1.00 0.00 N ATOM 217 CA SER A 16 12.314 6.701 1.383 1.00 0.00 C ATOM 218 C SER A 16 12.943 6.848 0.001 1.00 0.00 C ATOM 219 O SER A 16 13.103 7.958 -0.505 1.00 0.00 O ATOM 220 CB SER A 16 13.404 6.456 2.429 1.00 0.00 C ATOM 221 OG SER A 16 12.993 6.904 3.709 1.00 0.00 O ATOM 0 H SER A 16 11.601 4.828 1.997 1.00 0.00 H new ATOM 0 HA SER A 16 11.790 7.626 1.624 1.00 0.00 H new ATOM 0 HB2 SER A 16 13.640 5.393 2.471 1.00 0.00 H new ATOM 0 HB3 SER A 16 14.317 6.973 2.135 1.00 0.00 H new ATOM 0 HG SER A 16 13.706 6.735 4.359 1.00 0.00 H new ATOM 227 N ASN A 17 13.299 5.719 -0.604 1.00 0.00 N ATOM 228 CA ASN A 17 13.911 5.721 -1.927 1.00 0.00 C ATOM 229 C ASN A 17 13.162 4.789 -2.874 1.00 0.00 C ATOM 230 O ASN A 17 12.483 3.858 -2.439 1.00 0.00 O ATOM 231 CB ASN A 17 15.379 5.299 -1.833 1.00 0.00 C ATOM 232 CG ASN A 17 16.225 5.900 -2.939 1.00 0.00 C ATOM 233 OD1 ASN A 17 16.418 5.289 -3.990 1.00 0.00 O ATOM 234 ND2 ASN A 17 16.735 7.104 -2.705 1.00 0.00 N ATOM 0 H ASN A 17 13.174 4.791 -0.199 1.00 0.00 H new ATOM 0 HA ASN A 17 13.856 6.735 -2.324 1.00 0.00 H new ATOM 0 HB2 ASN A 17 15.780 5.603 -0.866 1.00 0.00 H new ATOM 0 HB3 ASN A 17 15.445 4.212 -1.878 1.00 0.00 H new ATOM 0 HD21 ASN A 17 17.313 7.559 -3.412 1.00 0.00 H new ATOM 0 HD22 ASN A 17 16.549 7.573 -1.819 1.00 0.00 H new ATOM 241 N LEU A 18 13.289 5.046 -4.172 1.00 0.00 N ATOM 242 CA LEU A 18 12.625 4.230 -5.182 1.00 0.00 C ATOM 243 C LEU A 18 13.226 2.829 -5.232 1.00 0.00 C ATOM 244 O LEU A 18 12.504 1.832 -5.233 1.00 0.00 O ATOM 245 CB LEU A 18 12.736 4.894 -6.556 1.00 0.00 C ATOM 246 CG LEU A 18 11.745 4.412 -7.616 1.00 0.00 C ATOM 247 CD1 LEU A 18 11.292 2.991 -7.317 1.00 0.00 C ATOM 248 CD2 LEU A 18 10.549 5.349 -7.693 1.00 0.00 C ATOM 0 H LEU A 18 13.846 5.813 -4.549 1.00 0.00 H new ATOM 0 HA LEU A 18 11.573 4.144 -4.910 1.00 0.00 H new ATOM 0 HB2 LEU A 18 12.608 5.969 -6.429 1.00 0.00 H new ATOM 0 HB3 LEU A 18 13.746 4.736 -6.933 1.00 0.00 H new ATOM 0 HG LEU A 18 12.247 4.415 -8.583 1.00 0.00 H new ATOM 0 HD11 LEU A 18 10.587 2.665 -8.082 1.00 0.00 H new ATOM 0 HD12 LEU A 18 12.156 2.327 -7.313 1.00 0.00 H new ATOM 0 HD13 LEU A 18 10.808 2.961 -6.341 1.00 0.00 H new ATOM 0 HD21 LEU A 18 9.854 4.990 -8.452 1.00 0.00 H new ATOM 0 HD22 LEU A 18 10.047 5.378 -6.726 1.00 0.00 H new ATOM 0 HD23 LEU A 18 10.888 6.351 -7.956 1.00 0.00 H new ATOM 260 N ARG A 19 14.553 2.761 -5.271 1.00 0.00 N ATOM 261 CA ARG A 19 15.251 1.482 -5.320 1.00 0.00 C ATOM 262 C ARG A 19 14.593 0.467 -4.390 1.00 0.00 C ATOM 263 O ARG A 19 14.153 -0.596 -4.826 1.00 0.00 O ATOM 264 CB ARG A 19 16.721 1.664 -4.935 1.00 0.00 C ATOM 265 CG ARG A 19 17.443 0.357 -4.654 1.00 0.00 C ATOM 266 CD ARG A 19 17.552 -0.500 -5.905 1.00 0.00 C ATOM 267 NE ARG A 19 18.733 -1.359 -5.880 1.00 0.00 N ATOM 268 CZ ARG A 19 19.315 -1.841 -6.972 1.00 0.00 C ATOM 269 NH1 ARG A 19 18.829 -1.548 -8.170 1.00 0.00 N ATOM 270 NH2 ARG A 19 20.387 -2.616 -6.867 1.00 0.00 N ATOM 0 H ARG A 19 15.166 3.576 -5.270 1.00 0.00 H new ATOM 0 HA ARG A 19 15.193 1.104 -6.341 1.00 0.00 H new ATOM 0 HB2 ARG A 19 17.236 2.188 -5.740 1.00 0.00 H new ATOM 0 HB3 ARG A 19 16.780 2.299 -4.051 1.00 0.00 H new ATOM 0 HG2 ARG A 19 18.440 0.567 -4.268 1.00 0.00 H new ATOM 0 HG3 ARG A 19 16.911 -0.195 -3.879 1.00 0.00 H new ATOM 0 HD2 ARG A 19 16.658 -1.116 -6.001 1.00 0.00 H new ATOM 0 HD3 ARG A 19 17.591 0.144 -6.783 1.00 0.00 H new ATOM 0 HE ARG A 19 19.133 -1.602 -4.974 1.00 0.00 H new ATOM 0 HH11 ARG A 19 18.006 -0.951 -8.255 1.00 0.00 H new ATOM 0 HH12 ARG A 19 19.278 -1.919 -9.007 1.00 0.00 H new ATOM 0 HH21 ARG A 19 20.765 -2.842 -5.947 1.00 0.00 H new ATOM 0 HH22 ARG A 19 20.833 -2.986 -7.706 1.00 0.00 H new ATOM 284 N ASN A 20 14.530 0.803 -3.105 1.00 0.00 N ATOM 285 CA ASN A 20 13.927 -0.080 -2.113 1.00 0.00 C ATOM 286 C ASN A 20 12.633 -0.691 -2.644 1.00 0.00 C ATOM 287 O ASN A 20 12.296 -1.832 -2.324 1.00 0.00 O ATOM 288 CB ASN A 20 13.648 0.688 -0.820 1.00 0.00 C ATOM 289 CG ASN A 20 14.867 1.436 -0.317 1.00 0.00 C ATOM 290 OD1 ASN A 20 14.682 2.706 0.027 1.00 0.00 O flip ATOM 291 ND2 ASN A 20 15.962 0.879 -0.238 1.00 0.00 N flip ATOM 0 H ASN A 20 14.889 1.680 -2.727 1.00 0.00 H new ATOM 0 HA ASN A 20 14.630 -0.886 -1.905 1.00 0.00 H new ATOM 0 HB2 ASN A 20 12.836 1.395 -0.989 1.00 0.00 H new ATOM 0 HB3 ASN A 20 13.310 -0.009 -0.053 1.00 0.00 H new ATOM 0 HD21 ASN A 20 16.058 -0.098 -0.513 1.00 0.00 H new ATOM 0 HD22 ASN A 20 16.773 1.395 0.103 1.00 0.00 H new ATOM 298 N LEU A 21 11.914 0.075 -3.457 1.00 0.00 N ATOM 299 CA LEU A 21 10.657 -0.391 -4.033 1.00 0.00 C ATOM 300 C LEU A 21 10.912 -1.369 -5.176 1.00 0.00 C ATOM 301 O LEU A 21 10.158 -2.323 -5.368 1.00 0.00 O ATOM 302 CB LEU A 21 9.834 0.795 -4.537 1.00 0.00 C ATOM 303 CG LEU A 21 8.358 0.514 -4.825 1.00 0.00 C ATOM 304 CD1 LEU A 21 7.556 0.501 -3.533 1.00 0.00 C ATOM 305 CD2 LEU A 21 7.798 1.546 -5.793 1.00 0.00 C ATOM 0 H LEU A 21 12.179 1.021 -3.732 1.00 0.00 H new ATOM 0 HA LEU A 21 10.098 -0.909 -3.253 1.00 0.00 H new ATOM 0 HB2 LEU A 21 9.894 1.593 -3.797 1.00 0.00 H new ATOM 0 HB3 LEU A 21 10.296 1.171 -5.450 1.00 0.00 H new ATOM 0 HG LEU A 21 8.278 -0.470 -5.288 1.00 0.00 H new ATOM 0 HD11 LEU A 21 6.508 0.300 -3.757 1.00 0.00 H new ATOM 0 HD12 LEU A 21 7.942 -0.276 -2.873 1.00 0.00 H new ATOM 0 HD13 LEU A 21 7.642 1.470 -3.042 1.00 0.00 H new ATOM 0 HD21 LEU A 21 6.747 1.331 -5.987 1.00 0.00 H new ATOM 0 HD22 LEU A 21 7.890 2.541 -5.358 1.00 0.00 H new ATOM 0 HD23 LEU A 21 8.355 1.507 -6.729 1.00 0.00 H new ATOM 317 N GLU A 22 11.981 -1.127 -5.928 1.00 0.00 N ATOM 318 CA GLU A 22 12.335 -1.988 -7.051 1.00 0.00 C ATOM 319 C GLU A 22 12.336 -3.455 -6.631 1.00 0.00 C ATOM 320 O GLU A 22 11.865 -4.323 -7.368 1.00 0.00 O ATOM 321 CB GLU A 22 13.708 -1.603 -7.604 1.00 0.00 C ATOM 322 CG GLU A 22 13.747 -0.218 -8.227 1.00 0.00 C ATOM 323 CD GLU A 22 12.770 -0.068 -9.377 1.00 0.00 C ATOM 324 OE1 GLU A 22 11.565 0.118 -9.112 1.00 0.00 O ATOM 325 OE2 GLU A 22 13.213 -0.138 -10.543 1.00 0.00 O ATOM 0 H GLU A 22 12.616 -0.343 -5.780 1.00 0.00 H new ATOM 0 HA GLU A 22 11.586 -1.852 -7.831 1.00 0.00 H new ATOM 0 HB2 GLU A 22 14.441 -1.651 -6.799 1.00 0.00 H new ATOM 0 HB3 GLU A 22 14.008 -2.337 -8.352 1.00 0.00 H new ATOM 0 HG2 GLU A 22 13.521 0.526 -7.463 1.00 0.00 H new ATOM 0 HG3 GLU A 22 14.756 -0.012 -8.583 1.00 0.00 H new ATOM 332 N ILE A 23 12.869 -3.725 -5.444 1.00 0.00 N ATOM 333 CA ILE A 23 12.931 -5.086 -4.927 1.00 0.00 C ATOM 334 C ILE A 23 11.562 -5.756 -4.976 1.00 0.00 C ATOM 335 O ILE A 23 11.450 -6.940 -5.295 1.00 0.00 O ATOM 336 CB ILE A 23 13.452 -5.114 -3.478 1.00 0.00 C ATOM 337 CG1 ILE A 23 14.910 -4.654 -3.428 1.00 0.00 C ATOM 338 CG2 ILE A 23 13.311 -6.511 -2.891 1.00 0.00 C ATOM 339 CD1 ILE A 23 15.072 -3.151 -3.477 1.00 0.00 C ATOM 0 H ILE A 23 13.264 -3.019 -4.823 1.00 0.00 H new ATOM 0 HA ILE A 23 13.624 -5.635 -5.565 1.00 0.00 H new ATOM 0 HB ILE A 23 12.854 -4.427 -2.879 1.00 0.00 H new ATOM 0 HG12 ILE A 23 15.370 -5.031 -2.515 1.00 0.00 H new ATOM 0 HG13 ILE A 23 15.451 -5.097 -4.264 1.00 0.00 H new ATOM 0 HG21 ILE A 23 13.683 -6.515 -1.867 1.00 0.00 H new ATOM 0 HG22 ILE A 23 12.261 -6.804 -2.896 1.00 0.00 H new ATOM 0 HG23 ILE A 23 13.887 -7.217 -3.489 1.00 0.00 H new ATOM 0 HD11 ILE A 23 16.131 -2.898 -3.438 1.00 0.00 H new ATOM 0 HD12 ILE A 23 14.642 -2.769 -4.403 1.00 0.00 H new ATOM 0 HD13 ILE A 23 14.560 -2.702 -2.626 1.00 0.00 H new ATOM 351 N SER A 24 10.523 -4.990 -4.660 1.00 0.00 N ATOM 352 CA SER A 24 9.160 -5.510 -4.667 1.00 0.00 C ATOM 353 C SER A 24 8.638 -5.649 -6.094 1.00 0.00 C ATOM 354 O SER A 24 7.634 -6.318 -6.336 1.00 0.00 O ATOM 355 CB SER A 24 8.238 -4.593 -3.862 1.00 0.00 C ATOM 356 OG SER A 24 7.024 -5.247 -3.537 1.00 0.00 O ATOM 0 H SER A 24 10.598 -4.008 -4.396 1.00 0.00 H new ATOM 0 HA SER A 24 9.172 -6.497 -4.206 1.00 0.00 H new ATOM 0 HB2 SER A 24 8.741 -4.278 -2.948 1.00 0.00 H new ATOM 0 HB3 SER A 24 8.026 -3.691 -4.436 1.00 0.00 H new ATOM 0 HG SER A 24 7.177 -6.213 -3.483 1.00 0.00 H new ATOM 362 N GLN A 25 9.328 -5.012 -7.034 1.00 0.00 N ATOM 363 CA GLN A 25 8.935 -5.063 -8.437 1.00 0.00 C ATOM 364 C GLN A 25 9.581 -6.252 -9.140 1.00 0.00 C ATOM 365 O GLN A 25 8.995 -6.840 -10.050 1.00 0.00 O ATOM 366 CB GLN A 25 9.323 -3.764 -9.146 1.00 0.00 C ATOM 367 CG GLN A 25 8.340 -2.628 -8.914 1.00 0.00 C ATOM 368 CD GLN A 25 8.660 -1.401 -9.744 1.00 0.00 C ATOM 369 OE1 GLN A 25 8.927 -0.286 -9.073 1.00 0.00 O flip ATOM 370 NE2 GLN A 25 8.668 -1.453 -10.974 1.00 0.00 N flip ATOM 0 H GLN A 25 10.162 -4.454 -6.850 1.00 0.00 H new ATOM 0 HA GLN A 25 7.852 -5.182 -8.480 1.00 0.00 H new ATOM 0 HB2 GLN A 25 10.311 -3.454 -8.804 1.00 0.00 H new ATOM 0 HB3 GLN A 25 9.401 -3.953 -10.217 1.00 0.00 H new ATOM 0 HG2 GLN A 25 7.333 -2.970 -9.152 1.00 0.00 H new ATOM 0 HG3 GLN A 25 8.344 -2.359 -7.858 1.00 0.00 H new ATOM 0 HE21 GLN A 25 8.457 -2.331 -11.449 1.00 0.00 H new ATOM 0 HE22 GLN A 25 8.886 -0.618 -11.518 1.00 0.00 H new ATOM 379 N GLN A 26 10.790 -6.601 -8.713 1.00 0.00 N ATOM 380 CA GLN A 26 11.516 -7.719 -9.304 1.00 0.00 C ATOM 381 C GLN A 26 11.381 -8.971 -8.442 1.00 0.00 C ATOM 382 O GLN A 26 10.941 -10.019 -8.916 1.00 0.00 O ATOM 383 CB GLN A 26 12.993 -7.362 -9.477 1.00 0.00 C ATOM 384 CG GLN A 26 13.219 -6.009 -10.133 1.00 0.00 C ATOM 385 CD GLN A 26 13.274 -6.096 -11.646 1.00 0.00 C ATOM 386 OE1 GLN A 26 13.530 -7.161 -12.209 1.00 0.00 O ATOM 387 NE2 GLN A 26 13.034 -4.973 -12.312 1.00 0.00 N ATOM 0 H GLN A 26 11.288 -6.126 -7.960 1.00 0.00 H new ATOM 0 HA GLN A 26 11.083 -7.924 -10.283 1.00 0.00 H new ATOM 0 HB2 GLN A 26 13.477 -7.368 -8.500 1.00 0.00 H new ATOM 0 HB3 GLN A 26 13.477 -8.133 -10.077 1.00 0.00 H new ATOM 0 HG2 GLN A 26 12.418 -5.329 -9.841 1.00 0.00 H new ATOM 0 HG3 GLN A 26 14.151 -5.581 -9.763 1.00 0.00 H new ATOM 0 HE21 GLN A 26 12.826 -4.113 -11.804 1.00 0.00 H new ATOM 0 HE22 GLN A 26 13.057 -4.970 -13.332 1.00 0.00 H new ATOM 396 N LYS A 27 11.762 -8.855 -7.175 1.00 0.00 N ATOM 397 CA LYS A 27 11.684 -9.976 -6.246 1.00 0.00 C ATOM 398 C LYS A 27 10.232 -10.366 -5.986 1.00 0.00 C ATOM 399 O LYS A 27 9.917 -11.542 -5.812 1.00 0.00 O ATOM 400 CB LYS A 27 12.372 -9.620 -4.926 1.00 0.00 C ATOM 401 CG LYS A 27 13.685 -8.878 -5.105 1.00 0.00 C ATOM 402 CD LYS A 27 14.644 -9.650 -5.996 1.00 0.00 C ATOM 403 CE LYS A 27 16.062 -9.110 -5.887 1.00 0.00 C ATOM 404 NZ LYS A 27 17.080 -10.171 -6.124 1.00 0.00 N ATOM 0 H LYS A 27 12.128 -7.995 -6.767 1.00 0.00 H new ATOM 0 HA LYS A 27 12.195 -10.826 -6.697 1.00 0.00 H new ATOM 0 HB2 LYS A 27 11.697 -9.008 -4.328 1.00 0.00 H new ATOM 0 HB3 LYS A 27 12.555 -10.535 -4.363 1.00 0.00 H new ATOM 0 HG2 LYS A 27 13.493 -7.897 -5.539 1.00 0.00 H new ATOM 0 HG3 LYS A 27 14.146 -8.711 -4.131 1.00 0.00 H new ATOM 0 HD2 LYS A 27 14.632 -10.704 -5.718 1.00 0.00 H new ATOM 0 HD3 LYS A 27 14.309 -9.590 -7.031 1.00 0.00 H new ATOM 0 HE2 LYS A 27 16.201 -8.306 -6.610 1.00 0.00 H new ATOM 0 HE3 LYS A 27 16.211 -8.678 -4.897 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 17.992 -9.874 -5.721 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 16.773 -11.055 -5.670 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 17.187 -10.327 -7.147 1.00 0.00 H new ATOM 418 N GLY A 28 9.351 -9.370 -5.962 1.00 0.00 N ATOM 419 CA GLY A 28 7.944 -9.630 -5.723 1.00 0.00 C ATOM 420 C GLY A 28 7.612 -9.720 -4.247 1.00 0.00 C ATOM 421 O GLY A 28 6.699 -10.446 -3.852 1.00 0.00 O ATOM 0 H GLY A 28 9.587 -8.388 -6.104 1.00 0.00 H new ATOM 0 HA2 GLY A 28 7.349 -8.838 -6.178 1.00 0.00 H new ATOM 0 HA3 GLY A 28 7.662 -10.562 -6.213 1.00 0.00 H new ATOM 425 N ILE A 29 8.356 -8.982 -3.430 1.00 0.00 N ATOM 426 CA ILE A 29 8.136 -8.982 -1.989 1.00 0.00 C ATOM 427 C ILE A 29 8.379 -7.598 -1.396 1.00 0.00 C ATOM 428 O ILE A 29 8.993 -6.740 -2.028 1.00 0.00 O ATOM 429 CB ILE A 29 9.051 -9.999 -1.280 1.00 0.00 C ATOM 430 CG1 ILE A 29 10.446 -9.988 -1.907 1.00 0.00 C ATOM 431 CG2 ILE A 29 8.445 -11.393 -1.348 1.00 0.00 C ATOM 432 CD1 ILE A 29 11.296 -8.817 -1.468 1.00 0.00 C ATOM 0 H ILE A 29 9.116 -8.377 -3.741 1.00 0.00 H new ATOM 0 HA ILE A 29 7.096 -9.267 -1.828 1.00 0.00 H new ATOM 0 HB ILE A 29 9.143 -9.714 -0.232 1.00 0.00 H new ATOM 0 HG12 ILE A 29 10.958 -10.915 -1.650 1.00 0.00 H new ATOM 0 HG13 ILE A 29 10.348 -9.969 -2.992 1.00 0.00 H new ATOM 0 HG21 ILE A 29 9.103 -12.101 -0.843 1.00 0.00 H new ATOM 0 HG22 ILE A 29 7.471 -11.390 -0.859 1.00 0.00 H new ATOM 0 HG23 ILE A 29 8.327 -11.688 -2.391 1.00 0.00 H new ATOM 0 HD11 ILE A 29 12.271 -8.874 -1.952 1.00 0.00 H new ATOM 0 HD12 ILE A 29 10.805 -7.885 -1.749 1.00 0.00 H new ATOM 0 HD13 ILE A 29 11.425 -8.847 -0.386 1.00 0.00 H new ATOM 444 N TRP A 30 7.893 -7.390 -0.177 1.00 0.00 N ATOM 445 CA TRP A 30 8.058 -6.111 0.503 1.00 0.00 C ATOM 446 C TRP A 30 8.376 -6.316 1.980 1.00 0.00 C ATOM 447 O TRP A 30 7.790 -7.177 2.636 1.00 0.00 O ATOM 448 CB TRP A 30 6.794 -5.263 0.353 1.00 0.00 C ATOM 449 CG TRP A 30 6.909 -3.908 0.982 1.00 0.00 C ATOM 450 CD1 TRP A 30 6.189 -3.431 2.040 1.00 0.00 C ATOM 451 CD2 TRP A 30 7.797 -2.854 0.592 1.00 0.00 C ATOM 452 NE1 TRP A 30 6.575 -2.145 2.330 1.00 0.00 N ATOM 453 CE2 TRP A 30 7.560 -1.768 1.457 1.00 0.00 C ATOM 454 CE3 TRP A 30 8.769 -2.724 -0.403 1.00 0.00 C ATOM 455 CZ2 TRP A 30 8.261 -0.569 1.354 1.00 0.00 C ATOM 456 CZ3 TRP A 30 9.463 -1.533 -0.504 1.00 0.00 C ATOM 457 CH2 TRP A 30 9.207 -0.469 0.371 1.00 0.00 C ATOM 0 H TRP A 30 7.382 -8.091 0.360 1.00 0.00 H new ATOM 0 HA TRP A 30 8.895 -5.588 0.040 1.00 0.00 H new ATOM 0 HB2 TRP A 30 6.568 -5.146 -0.707 1.00 0.00 H new ATOM 0 HB3 TRP A 30 5.954 -5.794 0.801 1.00 0.00 H new ATOM 0 HD1 TRP A 30 5.428 -3.984 2.571 1.00 0.00 H new ATOM 0 HE1 TRP A 30 6.190 -1.565 3.075 1.00 0.00 H new ATOM 0 HE3 TRP A 30 8.974 -3.539 -1.081 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 8.065 0.253 2.027 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 10.215 -1.421 -1.270 1.00 0.00 H new ATOM 0 HH2 TRP A 30 9.768 0.448 0.267 1.00 0.00 H new ATOM 468 N SER A 31 9.307 -5.520 2.497 1.00 0.00 N ATOM 469 CA SER A 31 9.704 -5.618 3.897 1.00 0.00 C ATOM 470 C SER A 31 9.418 -4.314 4.635 1.00 0.00 C ATOM 471 O SER A 31 10.061 -3.293 4.391 1.00 0.00 O ATOM 472 CB SER A 31 11.191 -5.961 4.004 1.00 0.00 C ATOM 473 OG SER A 31 11.978 -5.064 3.239 1.00 0.00 O ATOM 0 H SER A 31 9.800 -4.801 1.968 1.00 0.00 H new ATOM 0 HA SER A 31 9.120 -6.413 4.360 1.00 0.00 H new ATOM 0 HB2 SER A 31 11.502 -5.923 5.048 1.00 0.00 H new ATOM 0 HB3 SER A 31 11.358 -6.981 3.659 1.00 0.00 H new ATOM 0 HG SER A 31 12.100 -5.425 2.336 1.00 0.00 H new ATOM 479 N THR A 32 8.445 -4.356 5.541 1.00 0.00 N ATOM 480 CA THR A 32 8.071 -3.179 6.315 1.00 0.00 C ATOM 481 C THR A 32 8.347 -3.387 7.799 1.00 0.00 C ATOM 482 O THR A 32 8.663 -4.495 8.234 1.00 0.00 O ATOM 483 CB THR A 32 6.582 -2.832 6.125 1.00 0.00 C ATOM 484 OG1 THR A 32 6.346 -1.468 6.494 1.00 0.00 O ATOM 485 CG2 THR A 32 5.702 -3.748 6.962 1.00 0.00 C ATOM 0 H THR A 32 7.902 -5.192 5.756 1.00 0.00 H new ATOM 0 HA THR A 32 8.679 -2.352 5.948 1.00 0.00 H new ATOM 0 HB THR A 32 6.330 -2.973 5.074 1.00 0.00 H new ATOM 0 HG1 THR A 32 5.746 -1.052 5.841 1.00 0.00 H new ATOM 0 HG21 THR A 32 4.655 -3.484 6.812 1.00 0.00 H new ATOM 0 HG22 THR A 32 5.862 -4.783 6.659 1.00 0.00 H new ATOM 0 HG23 THR A 32 5.957 -3.634 8.016 1.00 0.00 H new ATOM 493 N THR A 33 8.227 -2.314 8.575 1.00 0.00 N ATOM 494 CA THR A 33 8.464 -2.378 10.012 1.00 0.00 C ATOM 495 C THR A 33 7.534 -3.386 10.678 1.00 0.00 C ATOM 496 O THR A 33 6.357 -3.501 10.335 1.00 0.00 O ATOM 497 CB THR A 33 8.271 -1.002 10.675 1.00 0.00 C ATOM 498 OG1 THR A 33 8.929 -0.975 11.947 1.00 0.00 O ATOM 499 CG2 THR A 33 6.793 -0.690 10.856 1.00 0.00 C ATOM 0 H THR A 33 7.967 -1.389 8.232 1.00 0.00 H new ATOM 0 HA THR A 33 9.498 -2.696 10.148 1.00 0.00 H new ATOM 0 HB THR A 33 8.708 -0.245 10.024 1.00 0.00 H new ATOM 0 HG1 THR A 33 9.900 -0.967 11.813 1.00 0.00 H new ATOM 0 HG21 THR A 33 6.682 0.287 11.326 1.00 0.00 H new ATOM 0 HG22 THR A 33 6.301 -0.682 9.883 1.00 0.00 H new ATOM 0 HG23 THR A 33 6.335 -1.451 11.488 1.00 0.00 H new ATOM 507 N PRO A 34 8.071 -4.133 11.654 1.00 0.00 N ATOM 508 CA PRO A 34 7.305 -5.143 12.389 1.00 0.00 C ATOM 509 C PRO A 34 6.258 -4.522 13.307 1.00 0.00 C ATOM 510 O PRO A 34 5.517 -5.231 13.988 1.00 0.00 O ATOM 511 CB PRO A 34 8.374 -5.869 13.211 1.00 0.00 C ATOM 512 CG PRO A 34 9.470 -4.872 13.372 1.00 0.00 C ATOM 513 CD PRO A 34 9.467 -4.048 12.114 1.00 0.00 C ATOM 0 HA PRO A 34 6.745 -5.796 11.720 1.00 0.00 H new ATOM 0 HB2 PRO A 34 7.982 -6.186 14.177 1.00 0.00 H new ATOM 0 HB3 PRO A 34 8.726 -6.765 12.700 1.00 0.00 H new ATOM 0 HG2 PRO A 34 9.303 -4.246 14.249 1.00 0.00 H new ATOM 0 HG3 PRO A 34 10.431 -5.367 13.512 1.00 0.00 H new ATOM 0 HD2 PRO A 34 9.764 -3.017 12.308 1.00 0.00 H new ATOM 0 HD3 PRO A 34 10.160 -4.445 11.372 1.00 0.00 H new ATOM 521 N SER A 35 6.201 -3.194 13.320 1.00 0.00 N ATOM 522 CA SER A 35 5.246 -2.478 14.157 1.00 0.00 C ATOM 523 C SER A 35 3.910 -2.314 13.439 1.00 0.00 C ATOM 524 O SER A 35 2.893 -2.009 14.059 1.00 0.00 O ATOM 525 CB SER A 35 5.803 -1.105 14.542 1.00 0.00 C ATOM 526 OG SER A 35 5.154 -0.598 15.695 1.00 0.00 O ATOM 0 H SER A 35 6.805 -2.592 12.760 1.00 0.00 H new ATOM 0 HA SER A 35 5.083 -3.063 15.062 1.00 0.00 H new ATOM 0 HB2 SER A 35 6.874 -1.182 14.728 1.00 0.00 H new ATOM 0 HB3 SER A 35 5.673 -0.410 13.712 1.00 0.00 H new ATOM 0 HG SER A 35 4.198 -0.809 15.652 1.00 0.00 H new ATOM 532 N ASN A 36 3.922 -2.520 12.126 1.00 0.00 N ATOM 533 CA ASN A 36 2.712 -2.395 11.321 1.00 0.00 C ATOM 534 C ASN A 36 2.371 -3.718 10.643 1.00 0.00 C ATOM 535 O ASN A 36 1.322 -3.851 10.014 1.00 0.00 O ATOM 536 CB ASN A 36 2.887 -1.299 10.267 1.00 0.00 C ATOM 537 CG ASN A 36 3.603 -0.080 10.814 1.00 0.00 C ATOM 538 OD1 ASN A 36 4.378 0.582 9.963 1.00 0.00 O flip ATOM 539 ND2 ASN A 36 3.461 0.263 11.988 1.00 0.00 N flip ATOM 0 H ASN A 36 4.756 -2.774 11.597 1.00 0.00 H new ATOM 0 HA ASN A 36 1.890 -2.125 11.984 1.00 0.00 H new ATOM 0 HB2 ASN A 36 3.448 -1.698 9.422 1.00 0.00 H new ATOM 0 HB3 ASN A 36 1.909 -1.003 9.889 1.00 0.00 H new ATOM 0 HD21 ASN A 36 2.855 -0.276 12.607 1.00 0.00 H new ATOM 0 HD22 ASN A 36 3.949 1.086 12.342 1.00 0.00 H new ATOM 546 N GLU A 37 3.263 -4.694 10.778 1.00 0.00 N ATOM 547 CA GLU A 37 3.056 -6.007 10.179 1.00 0.00 C ATOM 548 C GLU A 37 1.824 -6.686 10.769 1.00 0.00 C ATOM 549 O GLU A 37 1.168 -7.491 10.107 1.00 0.00 O ATOM 550 CB GLU A 37 4.288 -6.889 10.389 1.00 0.00 C ATOM 551 CG GLU A 37 5.417 -6.600 9.414 1.00 0.00 C ATOM 552 CD GLU A 37 6.710 -7.294 9.796 1.00 0.00 C ATOM 553 OE1 GLU A 37 6.703 -8.063 10.780 1.00 0.00 O ATOM 554 OE2 GLU A 37 7.729 -7.069 9.110 1.00 0.00 O ATOM 0 H GLU A 37 4.136 -4.600 11.297 1.00 0.00 H new ATOM 0 HA GLU A 37 2.896 -5.868 9.110 1.00 0.00 H new ATOM 0 HB2 GLU A 37 4.654 -6.751 11.406 1.00 0.00 H new ATOM 0 HB3 GLU A 37 3.996 -7.935 10.294 1.00 0.00 H new ATOM 0 HG2 GLU A 37 5.120 -6.918 8.415 1.00 0.00 H new ATOM 0 HG3 GLU A 37 5.586 -5.524 9.368 1.00 0.00 H new ATOM 561 N ARG A 38 1.516 -6.356 12.019 1.00 0.00 N ATOM 562 CA ARG A 38 0.364 -6.935 12.701 1.00 0.00 C ATOM 563 C ARG A 38 -0.842 -7.003 11.768 1.00 0.00 C ATOM 564 O ARG A 38 -1.217 -8.077 11.298 1.00 0.00 O ATOM 565 CB ARG A 38 0.015 -6.115 13.944 1.00 0.00 C ATOM 566 CG ARG A 38 -1.339 -6.462 14.542 1.00 0.00 C ATOM 567 CD ARG A 38 -2.002 -5.243 15.163 1.00 0.00 C ATOM 568 NE ARG A 38 -1.595 -5.045 16.551 1.00 0.00 N ATOM 569 CZ ARG A 38 -1.903 -3.965 17.261 1.00 0.00 C ATOM 570 NH1 ARG A 38 -2.618 -2.991 16.715 1.00 0.00 N ATOM 571 NH2 ARG A 38 -1.495 -3.858 18.519 1.00 0.00 N ATOM 0 H ARG A 38 2.048 -5.691 12.580 1.00 0.00 H new ATOM 0 HA ARG A 38 0.625 -7.949 13.005 1.00 0.00 H new ATOM 0 HB2 ARG A 38 0.786 -6.269 14.699 1.00 0.00 H new ATOM 0 HB3 ARG A 38 0.028 -5.056 13.686 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -1.985 -6.874 13.767 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -1.216 -7.236 15.299 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -1.748 -4.357 14.581 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -3.085 -5.356 15.116 1.00 0.00 H new ATOM 0 HE ARG A 38 -1.044 -5.776 17.000 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -2.933 -3.070 15.748 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -2.853 -2.163 17.262 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -0.944 -4.605 18.942 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -1.732 -3.028 19.063 1.00 0.00 H new ATOM 585 N LYS A 39 -1.445 -5.849 11.505 1.00 0.00 N ATOM 586 CA LYS A 39 -2.608 -5.776 10.629 1.00 0.00 C ATOM 587 C LYS A 39 -2.362 -6.541 9.332 1.00 0.00 C ATOM 588 O LYS A 39 -3.051 -7.517 9.034 1.00 0.00 O ATOM 589 CB LYS A 39 -2.946 -4.316 10.316 1.00 0.00 C ATOM 590 CG LYS A 39 -1.734 -3.477 9.948 1.00 0.00 C ATOM 591 CD LYS A 39 -1.914 -2.026 10.362 1.00 0.00 C ATOM 592 CE LYS A 39 -1.288 -1.077 9.352 1.00 0.00 C ATOM 593 NZ LYS A 39 -1.669 0.339 9.611 1.00 0.00 N ATOM 0 H LYS A 39 -1.147 -4.951 11.886 1.00 0.00 H new ATOM 0 HA LYS A 39 -3.450 -6.235 11.147 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -3.662 -4.285 9.494 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -3.436 -3.871 11.182 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -0.847 -3.887 10.431 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -1.566 -3.531 8.872 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -2.976 -1.804 10.462 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -1.462 -1.867 11.341 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -0.203 -1.173 9.387 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -1.600 -1.359 8.347 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -2.167 0.722 8.782 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -2.293 0.384 10.442 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -0.813 0.902 9.790 1.00 0.00 H new ATOM 607 N LEU A 40 -1.374 -6.093 8.565 1.00 0.00 N ATOM 608 CA LEU A 40 -1.035 -6.736 7.301 1.00 0.00 C ATOM 609 C LEU A 40 -1.161 -8.252 7.411 1.00 0.00 C ATOM 610 O LEU A 40 -1.735 -8.902 6.538 1.00 0.00 O ATOM 611 CB LEU A 40 0.387 -6.360 6.880 1.00 0.00 C ATOM 612 CG LEU A 40 0.729 -4.871 6.925 1.00 0.00 C ATOM 613 CD1 LEU A 40 2.136 -4.630 6.401 1.00 0.00 C ATOM 614 CD2 LEU A 40 -0.286 -4.066 6.125 1.00 0.00 C ATOM 0 H LEU A 40 -0.794 -5.287 8.797 1.00 0.00 H new ATOM 0 HA LEU A 40 -1.736 -6.385 6.544 1.00 0.00 H new ATOM 0 HB2 LEU A 40 1.088 -6.893 7.523 1.00 0.00 H new ATOM 0 HB3 LEU A 40 0.551 -6.719 5.864 1.00 0.00 H new ATOM 0 HG LEU A 40 0.689 -4.540 7.963 1.00 0.00 H new ATOM 0 HD11 LEU A 40 2.361 -3.564 6.441 1.00 0.00 H new ATOM 0 HD12 LEU A 40 2.852 -5.176 7.016 1.00 0.00 H new ATOM 0 HD13 LEU A 40 2.205 -4.977 5.370 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -0.027 -3.008 6.168 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -0.278 -4.399 5.087 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -1.281 -4.213 6.546 1.00 0.00 H new ATOM 626 N ASN A 41 -0.621 -8.809 8.490 1.00 0.00 N ATOM 627 CA ASN A 41 -0.675 -10.249 8.715 1.00 0.00 C ATOM 628 C ASN A 41 -2.089 -10.690 9.081 1.00 0.00 C ATOM 629 O ASN A 41 -2.762 -11.362 8.299 1.00 0.00 O ATOM 630 CB ASN A 41 0.300 -10.650 9.825 1.00 0.00 C ATOM 631 CG ASN A 41 1.646 -11.088 9.282 1.00 0.00 C ATOM 632 OD1 ASN A 41 1.849 -11.147 8.069 1.00 0.00 O ATOM 633 ND2 ASN A 41 2.573 -11.400 10.180 1.00 0.00 N ATOM 0 H ASN A 41 -0.141 -8.285 9.222 1.00 0.00 H new ATOM 0 HA ASN A 41 -0.386 -10.747 7.789 1.00 0.00 H new ATOM 0 HB2 ASN A 41 0.441 -9.808 10.502 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -0.134 -11.461 10.410 1.00 0.00 H new ATOM 0 HD21 ASN A 41 3.498 -11.703 9.874 1.00 0.00 H new ATOM 0 HD22 ASN A 41 2.360 -11.336 11.176 1.00 0.00 H new ATOM 640 N ARG A 42 -2.532 -10.308 10.274 1.00 0.00 N ATOM 641 CA ARG A 42 -3.865 -10.664 10.743 1.00 0.00 C ATOM 642 C ARG A 42 -4.915 -10.370 9.676 1.00 0.00 C ATOM 643 O ARG A 42 -5.610 -11.272 9.209 1.00 0.00 O ATOM 644 CB ARG A 42 -4.199 -9.900 12.026 1.00 0.00 C ATOM 645 CG ARG A 42 -5.331 -10.520 12.828 1.00 0.00 C ATOM 646 CD ARG A 42 -4.848 -11.708 13.646 1.00 0.00 C ATOM 647 NE ARG A 42 -5.958 -12.508 14.157 1.00 0.00 N ATOM 648 CZ ARG A 42 -5.862 -13.308 15.213 1.00 0.00 C ATOM 649 NH1 ARG A 42 -4.713 -13.415 15.865 1.00 0.00 N ATOM 650 NH2 ARG A 42 -6.917 -14.004 15.618 1.00 0.00 N ATOM 0 H ARG A 42 -1.987 -9.752 10.933 1.00 0.00 H new ATOM 0 HA ARG A 42 -3.874 -11.734 10.952 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -3.308 -9.850 12.651 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -4.466 -8.875 11.769 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -5.761 -9.770 13.492 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -6.124 -10.840 12.152 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -4.203 -12.334 13.030 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -4.243 -11.352 14.480 1.00 0.00 H new ATOM 0 HE ARG A 42 -6.856 -12.449 13.677 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -3.900 -12.882 15.556 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -4.642 -14.030 16.676 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -7.803 -13.925 15.118 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -6.842 -14.618 16.429 1.00 0.00 H new ATOM 664 N ALA A 43 -5.023 -9.102 9.294 1.00 0.00 N ATOM 665 CA ALA A 43 -5.986 -8.689 8.280 1.00 0.00 C ATOM 666 C ALA A 43 -6.029 -9.683 7.126 1.00 0.00 C ATOM 667 O ALA A 43 -7.071 -10.272 6.838 1.00 0.00 O ATOM 668 CB ALA A 43 -5.649 -7.296 7.768 1.00 0.00 C ATOM 0 H ALA A 43 -4.456 -8.343 9.671 1.00 0.00 H new ATOM 0 HA ALA A 43 -6.974 -8.666 8.741 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -6.376 -7.001 7.012 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -5.678 -6.587 8.596 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -4.651 -7.301 7.330 1.00 0.00 H new ATOM 674 N PHE A 44 -4.889 -9.866 6.466 1.00 0.00 N ATOM 675 CA PHE A 44 -4.797 -10.789 5.341 1.00 0.00 C ATOM 676 C PHE A 44 -5.589 -12.064 5.616 1.00 0.00 C ATOM 677 O PHE A 44 -6.121 -12.688 4.698 1.00 0.00 O ATOM 678 CB PHE A 44 -3.334 -11.136 5.057 1.00 0.00 C ATOM 679 CG PHE A 44 -3.148 -11.999 3.842 1.00 0.00 C ATOM 680 CD1 PHE A 44 -3.489 -11.529 2.583 1.00 0.00 C ATOM 681 CD2 PHE A 44 -2.632 -13.279 3.958 1.00 0.00 C ATOM 682 CE1 PHE A 44 -3.318 -12.321 1.463 1.00 0.00 C ATOM 683 CE2 PHE A 44 -2.458 -14.075 2.841 1.00 0.00 C ATOM 684 CZ PHE A 44 -2.803 -13.596 1.592 1.00 0.00 C ATOM 0 H PHE A 44 -4.017 -9.387 6.691 1.00 0.00 H new ATOM 0 HA PHE A 44 -5.224 -10.299 4.466 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -2.769 -10.213 4.927 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -2.915 -11.647 5.924 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -3.893 -10.533 2.476 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -2.362 -13.660 4.932 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -3.587 -11.943 0.488 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -2.053 -15.071 2.945 1.00 0.00 H new ATOM 0 HZ PHE A 44 -2.670 -14.217 0.718 1.00 0.00 H new ATOM 694 N TRP A 45 -5.663 -12.444 6.887 1.00 0.00 N ATOM 695 CA TRP A 45 -6.390 -13.645 7.284 1.00 0.00 C ATOM 696 C TRP A 45 -7.841 -13.318 7.616 1.00 0.00 C ATOM 697 O TRP A 45 -8.763 -13.912 7.060 1.00 0.00 O ATOM 698 CB TRP A 45 -5.713 -14.300 8.489 1.00 0.00 C ATOM 699 CG TRP A 45 -4.220 -14.370 8.367 1.00 0.00 C ATOM 700 CD1 TRP A 45 -3.486 -14.264 7.220 1.00 0.00 C ATOM 701 CD2 TRP A 45 -3.282 -14.562 9.430 1.00 0.00 C ATOM 702 NE1 TRP A 45 -2.147 -14.380 7.507 1.00 0.00 N ATOM 703 CE2 TRP A 45 -1.995 -14.562 8.856 1.00 0.00 C ATOM 704 CE3 TRP A 45 -3.402 -14.733 10.812 1.00 0.00 C ATOM 705 CZ2 TRP A 45 -0.841 -14.727 9.616 1.00 0.00 C ATOM 706 CZ3 TRP A 45 -2.255 -14.896 11.565 1.00 0.00 C ATOM 707 CH2 TRP A 45 -0.988 -14.892 10.967 1.00 0.00 C ATOM 0 H TRP A 45 -5.229 -11.939 7.659 1.00 0.00 H new ATOM 0 HA TRP A 45 -6.377 -14.342 6.446 1.00 0.00 H new ATOM 0 HB2 TRP A 45 -5.971 -13.742 9.389 1.00 0.00 H new ATOM 0 HB3 TRP A 45 -6.108 -15.308 8.615 1.00 0.00 H new ATOM 0 HD1 TRP A 45 -3.897 -14.112 6.233 1.00 0.00 H new ATOM 0 HE1 TRP A 45 -1.389 -14.337 6.826 1.00 0.00 H new ATOM 0 HE3 TRP A 45 -4.374 -14.738 11.283 1.00 0.00 H new ATOM 0 HZ2 TRP A 45 0.136 -14.725 9.156 1.00 0.00 H new ATOM 0 HZ3 TRP A 45 -2.337 -15.029 12.634 1.00 0.00 H new ATOM 0 HH2 TRP A 45 -0.111 -15.022 11.583 1.00 0.00 H new ATOM 718 N GLU A 46 -8.036 -12.368 8.527 1.00 0.00 N ATOM 719 CA GLU A 46 -9.377 -11.964 8.933 1.00 0.00 C ATOM 720 C GLU A 46 -10.109 -11.276 7.784 1.00 0.00 C ATOM 721 O GLU A 46 -11.282 -10.924 7.904 1.00 0.00 O ATOM 722 CB GLU A 46 -9.307 -11.028 10.141 1.00 0.00 C ATOM 723 CG GLU A 46 -8.744 -11.686 11.389 1.00 0.00 C ATOM 724 CD GLU A 46 -8.661 -10.732 12.565 1.00 0.00 C ATOM 725 OE1 GLU A 46 -8.535 -9.512 12.330 1.00 0.00 O ATOM 726 OE2 GLU A 46 -8.722 -11.205 13.719 1.00 0.00 O ATOM 0 H GLU A 46 -7.283 -11.865 8.997 1.00 0.00 H new ATOM 0 HA GLU A 46 -9.932 -12.861 9.209 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -8.691 -10.165 9.886 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -10.307 -10.653 10.358 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -9.369 -12.537 11.660 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -7.750 -12.077 11.172 1.00 0.00 H new ATOM 733 N SER A 47 -9.407 -11.088 6.671 1.00 0.00 N ATOM 734 CA SER A 47 -9.987 -10.438 5.502 1.00 0.00 C ATOM 735 C SER A 47 -9.709 -11.246 4.237 1.00 0.00 C ATOM 736 O SER A 47 -8.941 -12.208 4.258 1.00 0.00 O ATOM 737 CB SER A 47 -9.428 -9.022 5.348 1.00 0.00 C ATOM 738 OG SER A 47 -10.079 -8.119 6.225 1.00 0.00 O ATOM 0 H SER A 47 -8.436 -11.377 6.554 1.00 0.00 H new ATOM 0 HA SER A 47 -11.066 -10.381 5.647 1.00 0.00 H new ATOM 0 HB2 SER A 47 -8.358 -9.026 5.554 1.00 0.00 H new ATOM 0 HB3 SER A 47 -9.554 -8.688 4.318 1.00 0.00 H new ATOM 0 HG SER A 47 -10.707 -7.564 5.716 1.00 0.00 H new ATOM 744 N SER A 48 -10.341 -10.848 3.138 1.00 0.00 N ATOM 745 CA SER A 48 -10.166 -11.536 1.864 1.00 0.00 C ATOM 746 C SER A 48 -8.846 -11.140 1.209 1.00 0.00 C ATOM 747 O SER A 48 -8.062 -11.996 0.799 1.00 0.00 O ATOM 748 CB SER A 48 -11.330 -11.219 0.924 1.00 0.00 C ATOM 749 OG SER A 48 -12.380 -12.158 1.077 1.00 0.00 O ATOM 0 H SER A 48 -10.979 -10.053 3.104 1.00 0.00 H new ATOM 0 HA SER A 48 -10.148 -12.608 2.059 1.00 0.00 H new ATOM 0 HB2 SER A 48 -11.703 -10.215 1.128 1.00 0.00 H new ATOM 0 HB3 SER A 48 -10.980 -11.225 -0.108 1.00 0.00 H new ATOM 0 HG SER A 48 -13.112 -11.932 0.466 1.00 0.00 H new ATOM 755 N ILE A 49 -8.608 -9.836 1.114 1.00 0.00 N ATOM 756 CA ILE A 49 -7.384 -9.325 0.510 1.00 0.00 C ATOM 757 C ILE A 49 -6.851 -8.122 1.281 1.00 0.00 C ATOM 758 O ILE A 49 -7.520 -7.595 2.170 1.00 0.00 O ATOM 759 CB ILE A 49 -7.607 -8.921 -0.959 1.00 0.00 C ATOM 760 CG1 ILE A 49 -8.509 -9.939 -1.660 1.00 0.00 C ATOM 761 CG2 ILE A 49 -6.275 -8.799 -1.683 1.00 0.00 C ATOM 762 CD1 ILE A 49 -9.076 -9.443 -2.971 1.00 0.00 C ATOM 0 H ILE A 49 -9.247 -9.114 1.448 1.00 0.00 H new ATOM 0 HA ILE A 49 -6.652 -10.132 0.549 1.00 0.00 H new ATOM 0 HB ILE A 49 -8.101 -7.950 -0.982 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -7.941 -10.851 -1.841 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -9.331 -10.203 -0.995 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -6.450 -8.513 -2.720 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -5.664 -8.040 -1.195 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -5.756 -9.757 -1.653 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -9.705 -10.217 -3.411 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -9.672 -8.548 -2.794 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -8.260 -9.207 -3.654 1.00 0.00 H new ATOM 774 N VAL A 50 -5.642 -7.691 0.933 1.00 0.00 N ATOM 775 CA VAL A 50 -5.020 -6.549 1.591 1.00 0.00 C ATOM 776 C VAL A 50 -4.405 -5.597 0.571 1.00 0.00 C ATOM 777 O VAL A 50 -3.331 -5.861 0.028 1.00 0.00 O ATOM 778 CB VAL A 50 -3.929 -6.996 2.582 1.00 0.00 C ATOM 779 CG1 VAL A 50 -3.266 -5.790 3.227 1.00 0.00 C ATOM 780 CG2 VAL A 50 -4.517 -7.920 3.638 1.00 0.00 C ATOM 0 H VAL A 50 -5.075 -8.116 0.199 1.00 0.00 H new ATOM 0 HA VAL A 50 -5.808 -6.032 2.139 1.00 0.00 H new ATOM 0 HB VAL A 50 -3.166 -7.548 2.032 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -2.498 -6.126 3.924 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -2.809 -5.170 2.456 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -4.014 -5.208 3.765 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -3.733 -8.227 4.330 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -5.300 -7.395 4.186 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -4.940 -8.801 3.156 1.00 0.00 H new ATOM 790 N TYR A 51 -5.090 -4.488 0.316 1.00 0.00 N ATOM 791 CA TYR A 51 -4.612 -3.496 -0.640 1.00 0.00 C ATOM 792 C TYR A 51 -3.587 -2.569 0.004 1.00 0.00 C ATOM 793 O TYR A 51 -3.909 -1.803 0.913 1.00 0.00 O ATOM 794 CB TYR A 51 -5.783 -2.679 -1.187 1.00 0.00 C ATOM 795 CG TYR A 51 -6.553 -3.381 -2.283 1.00 0.00 C ATOM 796 CD1 TYR A 51 -5.892 -3.990 -3.342 1.00 0.00 C ATOM 797 CD2 TYR A 51 -7.941 -3.435 -2.259 1.00 0.00 C ATOM 798 CE1 TYR A 51 -6.590 -4.632 -4.346 1.00 0.00 C ATOM 799 CE2 TYR A 51 -8.648 -4.076 -3.258 1.00 0.00 C ATOM 800 CZ TYR A 51 -7.968 -4.672 -4.300 1.00 0.00 C ATOM 801 OH TYR A 51 -8.668 -5.312 -5.297 1.00 0.00 O ATOM 0 H TYR A 51 -5.979 -4.253 0.758 1.00 0.00 H new ATOM 0 HA TYR A 51 -4.130 -4.024 -1.463 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -6.464 -2.444 -0.369 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -5.406 -1.731 -1.570 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -4.813 -3.961 -3.381 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -8.476 -2.968 -1.446 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -6.060 -5.100 -5.162 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -9.727 -4.110 -3.223 1.00 0.00 H new ATOM 0 HH TYR A 51 -9.629 -5.250 -5.114 1.00 0.00 H new ATOM 811 N LEU A 52 -2.349 -2.643 -0.474 1.00 0.00 N ATOM 812 CA LEU A 52 -1.274 -1.810 0.053 1.00 0.00 C ATOM 813 C LEU A 52 -0.777 -0.829 -1.004 1.00 0.00 C ATOM 814 O LEU A 52 -0.032 -1.201 -1.910 1.00 0.00 O ATOM 815 CB LEU A 52 -0.116 -2.684 0.538 1.00 0.00 C ATOM 816 CG LEU A 52 -0.506 -3.952 1.299 1.00 0.00 C ATOM 817 CD1 LEU A 52 0.641 -4.951 1.294 1.00 0.00 C ATOM 818 CD2 LEU A 52 -0.915 -3.614 2.725 1.00 0.00 C ATOM 0 H LEU A 52 -2.065 -3.271 -1.226 1.00 0.00 H new ATOM 0 HA LEU A 52 -1.669 -1.240 0.894 1.00 0.00 H new ATOM 0 HB2 LEU A 52 0.482 -2.972 -0.326 1.00 0.00 H new ATOM 0 HB3 LEU A 52 0.524 -2.080 1.181 1.00 0.00 H new ATOM 0 HG LEU A 52 -1.359 -4.407 0.796 1.00 0.00 H new ATOM 0 HD11 LEU A 52 0.346 -5.847 1.840 1.00 0.00 H new ATOM 0 HD12 LEU A 52 0.887 -5.217 0.266 1.00 0.00 H new ATOM 0 HD13 LEU A 52 1.513 -4.506 1.772 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -1.189 -4.528 3.251 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -0.081 -3.136 3.239 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -1.768 -2.936 2.708 1.00 0.00 H new ATOM 830 N VAL A 53 -1.194 0.427 -0.880 1.00 0.00 N ATOM 831 CA VAL A 53 -0.788 1.463 -1.823 1.00 0.00 C ATOM 832 C VAL A 53 0.594 2.007 -1.481 1.00 0.00 C ATOM 833 O VAL A 53 0.783 2.649 -0.448 1.00 0.00 O ATOM 834 CB VAL A 53 -1.795 2.629 -1.843 1.00 0.00 C ATOM 835 CG1 VAL A 53 -1.323 3.726 -2.784 1.00 0.00 C ATOM 836 CG2 VAL A 53 -3.177 2.132 -2.240 1.00 0.00 C ATOM 0 H VAL A 53 -1.812 0.752 -0.137 1.00 0.00 H new ATOM 0 HA VAL A 53 -0.759 0.999 -2.809 1.00 0.00 H new ATOM 0 HB VAL A 53 -1.859 3.048 -0.839 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -2.047 4.541 -2.785 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -0.355 4.101 -2.450 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -1.228 3.324 -3.793 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -3.876 2.969 -2.249 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -3.132 1.686 -3.234 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -3.515 1.385 -1.522 1.00 0.00 H new ATOM 846 N PHE A 54 1.560 1.745 -2.357 1.00 0.00 N ATOM 847 CA PHE A 54 2.927 2.208 -2.148 1.00 0.00 C ATOM 848 C PHE A 54 3.192 3.491 -2.929 1.00 0.00 C ATOM 849 O PHE A 54 2.750 3.640 -4.068 1.00 0.00 O ATOM 850 CB PHE A 54 3.923 1.126 -2.569 1.00 0.00 C ATOM 851 CG PHE A 54 3.661 -0.210 -1.934 1.00 0.00 C ATOM 852 CD1 PHE A 54 2.582 -0.982 -2.334 1.00 0.00 C ATOM 853 CD2 PHE A 54 4.493 -0.694 -0.938 1.00 0.00 C ATOM 854 CE1 PHE A 54 2.339 -2.212 -1.753 1.00 0.00 C ATOM 855 CE2 PHE A 54 4.255 -1.923 -0.353 1.00 0.00 C ATOM 856 CZ PHE A 54 3.175 -2.683 -0.760 1.00 0.00 C ATOM 0 H PHE A 54 1.421 1.215 -3.217 1.00 0.00 H new ATOM 0 HA PHE A 54 3.055 2.418 -1.086 1.00 0.00 H new ATOM 0 HB2 PHE A 54 3.892 1.016 -3.653 1.00 0.00 H new ATOM 0 HB3 PHE A 54 4.931 1.451 -2.311 1.00 0.00 H new ATOM 0 HD1 PHE A 54 1.923 -0.618 -3.109 1.00 0.00 H new ATOM 0 HD2 PHE A 54 5.338 -0.104 -0.615 1.00 0.00 H new ATOM 0 HE1 PHE A 54 1.496 -2.805 -2.075 1.00 0.00 H new ATOM 0 HE2 PHE A 54 4.912 -2.289 0.422 1.00 0.00 H new ATOM 0 HZ PHE A 54 2.985 -3.643 -0.303 1.00 0.00 H new ATOM 866 N SER A 55 3.917 4.416 -2.308 1.00 0.00 N ATOM 867 CA SER A 55 4.238 5.689 -2.942 1.00 0.00 C ATOM 868 C SER A 55 5.540 6.259 -2.388 1.00 0.00 C ATOM 869 O SER A 55 5.649 6.546 -1.196 1.00 0.00 O ATOM 870 CB SER A 55 3.100 6.690 -2.731 1.00 0.00 C ATOM 871 OG SER A 55 3.232 7.803 -3.598 1.00 0.00 O ATOM 0 H SER A 55 4.293 4.307 -1.366 1.00 0.00 H new ATOM 0 HA SER A 55 4.364 5.512 -4.010 1.00 0.00 H new ATOM 0 HB2 SER A 55 2.143 6.199 -2.907 1.00 0.00 H new ATOM 0 HB3 SER A 55 3.098 7.030 -1.695 1.00 0.00 H new ATOM 0 HG SER A 55 2.492 8.427 -3.445 1.00 0.00 H new ATOM 877 N VAL A 56 6.528 6.419 -3.263 1.00 0.00 N ATOM 878 CA VAL A 56 7.824 6.955 -2.864 1.00 0.00 C ATOM 879 C VAL A 56 7.698 8.396 -2.384 1.00 0.00 C ATOM 880 O VAL A 56 7.103 9.236 -3.059 1.00 0.00 O ATOM 881 CB VAL A 56 8.836 6.899 -4.023 1.00 0.00 C ATOM 882 CG1 VAL A 56 10.085 7.697 -3.682 1.00 0.00 C ATOM 883 CG2 VAL A 56 9.189 5.456 -4.352 1.00 0.00 C ATOM 0 H VAL A 56 6.455 6.185 -4.253 1.00 0.00 H new ATOM 0 HA VAL A 56 8.185 6.332 -2.046 1.00 0.00 H new ATOM 0 HB VAL A 56 8.377 7.348 -4.904 1.00 0.00 H new ATOM 0 HG11 VAL A 56 10.788 7.645 -4.513 1.00 0.00 H new ATOM 0 HG12 VAL A 56 9.814 8.737 -3.500 1.00 0.00 H new ATOM 0 HG13 VAL A 56 10.549 7.281 -2.788 1.00 0.00 H new ATOM 0 HG21 VAL A 56 9.905 5.435 -5.173 1.00 0.00 H new ATOM 0 HG22 VAL A 56 9.628 4.980 -3.475 1.00 0.00 H new ATOM 0 HG23 VAL A 56 8.287 4.918 -4.643 1.00 0.00 H new ATOM 893 N GLN A 57 8.262 8.676 -1.213 1.00 0.00 N ATOM 894 CA GLN A 57 8.213 10.017 -0.642 1.00 0.00 C ATOM 895 C GLN A 57 9.041 10.992 -1.472 1.00 0.00 C ATOM 896 O GLN A 57 10.269 10.924 -1.485 1.00 0.00 O ATOM 897 CB GLN A 57 8.719 9.998 0.801 1.00 0.00 C ATOM 898 CG GLN A 57 8.406 11.271 1.571 1.00 0.00 C ATOM 899 CD GLN A 57 8.755 12.525 0.794 1.00 0.00 C ATOM 900 OE1 GLN A 57 9.929 12.849 0.612 1.00 0.00 O ATOM 901 NE2 GLN A 57 7.735 13.237 0.330 1.00 0.00 N ATOM 0 H GLN A 57 8.758 7.992 -0.641 1.00 0.00 H new ATOM 0 HA GLN A 57 7.176 10.351 -0.651 1.00 0.00 H new ATOM 0 HB2 GLN A 57 8.275 9.150 1.322 1.00 0.00 H new ATOM 0 HB3 GLN A 57 9.798 9.841 0.797 1.00 0.00 H new ATOM 0 HG2 GLN A 57 7.345 11.287 1.822 1.00 0.00 H new ATOM 0 HG3 GLN A 57 8.956 11.266 2.512 1.00 0.00 H new ATOM 0 HE21 GLN A 57 6.778 12.931 0.505 1.00 0.00 H new ATOM 0 HE22 GLN A 57 7.908 14.090 -0.201 1.00 0.00 H new ATOM 910 N GLY A 58 8.359 11.901 -2.164 1.00 0.00 N ATOM 911 CA GLY A 58 9.049 12.877 -2.987 1.00 0.00 C ATOM 912 C GLY A 58 8.709 12.739 -4.457 1.00 0.00 C ATOM 913 O GLY A 58 8.395 13.724 -5.124 1.00 0.00 O ATOM 0 H GLY A 58 7.342 11.978 -2.169 1.00 0.00 H new ATOM 0 HA2 GLY A 58 8.789 13.881 -2.650 1.00 0.00 H new ATOM 0 HA3 GLY A 58 10.125 12.764 -2.854 1.00 0.00 H new ATOM 917 N SER A 59 8.774 11.512 -4.965 1.00 0.00 N ATOM 918 CA SER A 59 8.477 11.249 -6.368 1.00 0.00 C ATOM 919 C SER A 59 7.375 12.176 -6.873 1.00 0.00 C ATOM 920 O SER A 59 7.481 12.753 -7.955 1.00 0.00 O ATOM 921 CB SER A 59 8.057 9.790 -6.558 1.00 0.00 C ATOM 922 OG SER A 59 6.927 9.477 -5.762 1.00 0.00 O ATOM 0 H SER A 59 9.030 10.685 -4.426 1.00 0.00 H new ATOM 0 HA SER A 59 9.381 11.438 -6.946 1.00 0.00 H new ATOM 0 HB2 SER A 59 7.828 9.608 -7.608 1.00 0.00 H new ATOM 0 HB3 SER A 59 8.885 9.132 -6.294 1.00 0.00 H new ATOM 0 HG SER A 59 7.166 9.543 -4.814 1.00 0.00 H new ATOM 928 N GLY A 60 6.317 12.314 -6.081 1.00 0.00 N ATOM 929 CA GLY A 60 5.210 13.172 -6.463 1.00 0.00 C ATOM 930 C GLY A 60 3.947 12.390 -6.764 1.00 0.00 C ATOM 931 O GLY A 60 2.868 12.729 -6.278 1.00 0.00 O ATOM 0 H GLY A 60 6.206 11.847 -5.181 1.00 0.00 H new ATOM 0 HA2 GLY A 60 5.011 13.882 -5.660 1.00 0.00 H new ATOM 0 HA3 GLY A 60 5.491 13.754 -7.341 1.00 0.00 H new ATOM 935 N HIS A 61 4.081 11.340 -7.569 1.00 0.00 N ATOM 936 CA HIS A 61 2.940 10.508 -7.935 1.00 0.00 C ATOM 937 C HIS A 61 2.931 9.213 -7.128 1.00 0.00 C ATOM 938 O HIS A 61 3.876 8.920 -6.396 1.00 0.00 O ATOM 939 CB HIS A 61 2.973 10.190 -9.430 1.00 0.00 C ATOM 940 CG HIS A 61 2.973 11.408 -10.301 1.00 0.00 C ATOM 941 ND1 HIS A 61 3.603 12.584 -9.952 1.00 0.00 N ATOM 942 CD2 HIS A 61 2.416 11.628 -11.515 1.00 0.00 C ATOM 943 CE1 HIS A 61 3.432 13.475 -10.912 1.00 0.00 C ATOM 944 NE2 HIS A 61 2.715 12.920 -11.873 1.00 0.00 N ATOM 0 H HIS A 61 4.967 11.046 -7.980 1.00 0.00 H new ATOM 0 HA HIS A 61 2.030 11.063 -7.709 1.00 0.00 H new ATOM 0 HB2 HIS A 61 3.862 9.598 -9.648 1.00 0.00 H new ATOM 0 HB3 HIS A 61 2.110 9.574 -9.681 1.00 0.00 H new ATOM 0 HD2 HIS A 61 1.843 10.919 -12.094 1.00 0.00 H new ATOM 0 HE1 HIS A 61 3.813 14.485 -10.911 1.00 0.00 H new ATOM 0 HE2 HIS A 61 2.430 13.376 -12.739 1.00 0.00 H new ATOM 952 N PHE A 62 1.857 8.443 -7.266 1.00 0.00 N ATOM 953 CA PHE A 62 1.724 7.181 -6.548 1.00 0.00 C ATOM 954 C PHE A 62 2.435 6.055 -7.292 1.00 0.00 C ATOM 955 O PHE A 62 1.978 5.608 -8.344 1.00 0.00 O ATOM 956 CB PHE A 62 0.246 6.830 -6.360 1.00 0.00 C ATOM 957 CG PHE A 62 -0.368 7.457 -5.141 1.00 0.00 C ATOM 958 CD1 PHE A 62 -0.227 6.866 -3.896 1.00 0.00 C ATOM 959 CD2 PHE A 62 -1.088 8.637 -5.241 1.00 0.00 C ATOM 960 CE1 PHE A 62 -0.790 7.441 -2.772 1.00 0.00 C ATOM 961 CE2 PHE A 62 -1.653 9.216 -4.121 1.00 0.00 C ATOM 962 CZ PHE A 62 -1.506 8.617 -2.885 1.00 0.00 C ATOM 0 H PHE A 62 1.066 8.671 -7.868 1.00 0.00 H new ATOM 0 HA PHE A 62 2.190 7.297 -5.569 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -0.310 7.148 -7.242 1.00 0.00 H new ATOM 0 HB3 PHE A 62 0.144 5.747 -6.293 1.00 0.00 H new ATOM 0 HD1 PHE A 62 0.329 5.945 -3.802 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -1.209 9.109 -6.205 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -0.670 6.971 -1.807 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -2.210 10.137 -4.212 1.00 0.00 H new ATOM 0 HZ PHE A 62 -1.950 9.067 -2.009 1.00 0.00 H new ATOM 972 N GLN A 63 3.555 5.602 -6.738 1.00 0.00 N ATOM 973 CA GLN A 63 4.330 4.529 -7.350 1.00 0.00 C ATOM 974 C GLN A 63 3.429 3.363 -7.744 1.00 0.00 C ATOM 975 O GLN A 63 3.798 2.533 -8.573 1.00 0.00 O ATOM 976 CB GLN A 63 5.419 4.046 -6.390 1.00 0.00 C ATOM 977 CG GLN A 63 6.735 4.792 -6.538 1.00 0.00 C ATOM 978 CD GLN A 63 7.290 4.722 -7.947 1.00 0.00 C ATOM 979 OE1 GLN A 63 7.617 5.878 -8.513 1.00 0.00 O flip ATOM 980 NE2 GLN A 63 7.424 3.641 -8.520 1.00 0.00 N flip ATOM 0 H GLN A 63 3.946 5.961 -5.867 1.00 0.00 H new ATOM 0 HA GLN A 63 4.799 4.923 -8.252 1.00 0.00 H new ATOM 0 HB2 GLN A 63 5.063 4.154 -5.366 1.00 0.00 H new ATOM 0 HB3 GLN A 63 5.593 2.983 -6.556 1.00 0.00 H new ATOM 0 HG2 GLN A 63 6.590 5.836 -6.260 1.00 0.00 H new ATOM 0 HG3 GLN A 63 7.464 4.376 -5.843 1.00 0.00 H new ATOM 0 HE21 GLN A 63 7.160 2.777 -8.047 1.00 0.00 H new ATOM 0 HE22 GLN A 63 7.799 3.609 -9.468 1.00 0.00 H new ATOM 989 N GLY A 64 2.245 3.307 -7.141 1.00 0.00 N ATOM 990 CA GLY A 64 1.310 2.238 -7.442 1.00 0.00 C ATOM 991 C GLY A 64 0.836 1.515 -6.196 1.00 0.00 C ATOM 992 O GLY A 64 1.216 1.871 -5.081 1.00 0.00 O ATOM 0 H GLY A 64 1.917 3.982 -6.450 1.00 0.00 H new ATOM 0 HA2 GLY A 64 0.449 2.650 -7.969 1.00 0.00 H new ATOM 0 HA3 GLY A 64 1.784 1.523 -8.115 1.00 0.00 H new ATOM 996 N PHE A 65 0.003 0.497 -6.386 1.00 0.00 N ATOM 997 CA PHE A 65 -0.526 -0.276 -5.269 1.00 0.00 C ATOM 998 C PHE A 65 -0.400 -1.773 -5.536 1.00 0.00 C ATOM 999 O PHE A 65 -0.409 -2.212 -6.685 1.00 0.00 O ATOM 1000 CB PHE A 65 -1.991 0.087 -5.017 1.00 0.00 C ATOM 1001 CG PHE A 65 -2.950 -0.632 -5.921 1.00 0.00 C ATOM 1002 CD1 PHE A 65 -3.183 -0.177 -7.209 1.00 0.00 C ATOM 1003 CD2 PHE A 65 -3.619 -1.764 -5.484 1.00 0.00 C ATOM 1004 CE1 PHE A 65 -4.067 -0.837 -8.042 1.00 0.00 C ATOM 1005 CE2 PHE A 65 -4.503 -2.429 -6.313 1.00 0.00 C ATOM 1006 CZ PHE A 65 -4.726 -1.965 -7.594 1.00 0.00 C ATOM 0 H PHE A 65 -0.320 0.188 -7.303 1.00 0.00 H new ATOM 0 HA PHE A 65 0.059 -0.032 -4.382 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -2.240 -0.141 -3.981 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -2.118 1.162 -5.146 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -2.668 0.703 -7.566 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -3.448 -2.131 -4.483 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -4.242 -0.471 -9.043 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -5.018 -3.310 -5.959 1.00 0.00 H new ATOM 0 HZ PHE A 65 -5.415 -2.483 -8.245 1.00 0.00 H new ATOM 1016 N SER A 66 -0.282 -2.551 -4.464 1.00 0.00 N ATOM 1017 CA SER A 66 -0.149 -3.999 -4.582 1.00 0.00 C ATOM 1018 C SER A 66 -0.925 -4.707 -3.475 1.00 0.00 C ATOM 1019 O SER A 66 -0.816 -4.352 -2.301 1.00 0.00 O ATOM 1020 CB SER A 66 1.325 -4.403 -4.527 1.00 0.00 C ATOM 1021 OG SER A 66 2.067 -3.771 -5.555 1.00 0.00 O ATOM 0 H SER A 66 -0.276 -2.203 -3.505 1.00 0.00 H new ATOM 0 HA SER A 66 -0.565 -4.301 -5.543 1.00 0.00 H new ATOM 0 HB2 SER A 66 1.742 -4.135 -3.556 1.00 0.00 H new ATOM 0 HB3 SER A 66 1.412 -5.485 -4.624 1.00 0.00 H new ATOM 0 HG SER A 66 2.623 -4.435 -6.013 1.00 0.00 H new ATOM 1027 N ARG A 67 -1.708 -5.710 -3.859 1.00 0.00 N ATOM 1028 CA ARG A 67 -2.503 -6.468 -2.900 1.00 0.00 C ATOM 1029 C ARG A 67 -1.702 -7.635 -2.332 1.00 0.00 C ATOM 1030 O ARG A 67 -1.193 -8.473 -3.076 1.00 0.00 O ATOM 1031 CB ARG A 67 -3.780 -6.987 -3.563 1.00 0.00 C ATOM 1032 CG ARG A 67 -3.524 -7.850 -4.787 1.00 0.00 C ATOM 1033 CD ARG A 67 -4.822 -8.366 -5.387 1.00 0.00 C ATOM 1034 NE ARG A 67 -4.646 -8.826 -6.762 1.00 0.00 N ATOM 1035 CZ ARG A 67 -5.579 -9.480 -7.444 1.00 0.00 C ATOM 1036 NH1 ARG A 67 -6.749 -9.749 -6.882 1.00 0.00 N ATOM 1037 NH2 ARG A 67 -5.344 -9.865 -8.692 1.00 0.00 N ATOM 0 H ARG A 67 -1.809 -6.016 -4.827 1.00 0.00 H new ATOM 0 HA ARG A 67 -2.772 -5.801 -2.081 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -4.348 -7.565 -2.834 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -4.400 -6.138 -3.851 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -2.981 -7.271 -5.534 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -2.889 -8.692 -4.513 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -5.203 -9.185 -4.777 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -5.572 -7.575 -5.363 1.00 0.00 H new ATOM 0 HE ARG A 67 -3.757 -8.634 -7.224 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -6.934 -9.453 -5.924 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -7.464 -10.251 -7.408 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -4.446 -9.659 -9.129 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -6.062 -10.367 -9.214 1.00 0.00 H new ATOM 1051 N MET A 68 -1.593 -7.682 -1.008 1.00 0.00 N ATOM 1052 CA MET A 68 -0.854 -8.747 -0.339 1.00 0.00 C ATOM 1053 C MET A 68 -1.255 -10.113 -0.886 1.00 0.00 C ATOM 1054 O MET A 68 -2.441 -10.411 -1.030 1.00 0.00 O ATOM 1055 CB MET A 68 -1.099 -8.697 1.170 1.00 0.00 C ATOM 1056 CG MET A 68 0.037 -9.287 1.990 1.00 0.00 C ATOM 1057 SD MET A 68 0.200 -8.513 3.610 1.00 0.00 S ATOM 1058 CE MET A 68 0.359 -9.955 4.660 1.00 0.00 C ATOM 0 H MET A 68 -2.007 -6.995 -0.377 1.00 0.00 H new ATOM 0 HA MET A 68 0.208 -8.595 -0.532 1.00 0.00 H new ATOM 0 HB2 MET A 68 -1.253 -7.661 1.471 1.00 0.00 H new ATOM 0 HB3 MET A 68 -2.019 -9.235 1.399 1.00 0.00 H new ATOM 0 HG2 MET A 68 -0.130 -10.357 2.118 1.00 0.00 H new ATOM 0 HG3 MET A 68 0.972 -9.174 1.442 1.00 0.00 H new ATOM 0 HE1 MET A 68 0.450 -9.640 5.699 1.00 0.00 H new ATOM 0 HE2 MET A 68 -0.523 -10.586 4.548 1.00 0.00 H new ATOM 0 HE3 MET A 68 1.247 -10.518 4.372 1.00 0.00 H new ATOM 1068 N SER A 69 -0.259 -10.940 -1.190 1.00 0.00 N ATOM 1069 CA SER A 69 -0.509 -12.273 -1.725 1.00 0.00 C ATOM 1070 C SER A 69 -0.095 -13.347 -0.724 1.00 0.00 C ATOM 1071 O SER A 69 -0.661 -14.440 -0.700 1.00 0.00 O ATOM 1072 CB SER A 69 0.249 -12.468 -3.040 1.00 0.00 C ATOM 1073 OG SER A 69 0.134 -13.803 -3.502 1.00 0.00 O ATOM 0 H SER A 69 0.728 -10.710 -1.075 1.00 0.00 H new ATOM 0 HA SER A 69 -1.579 -12.367 -1.912 1.00 0.00 H new ATOM 0 HB2 SER A 69 -0.142 -11.784 -3.793 1.00 0.00 H new ATOM 0 HB3 SER A 69 1.300 -12.218 -2.898 1.00 0.00 H new ATOM 0 HG SER A 69 0.626 -13.901 -4.344 1.00 0.00 H new ATOM 1079 N SER A 70 0.896 -13.026 0.102 1.00 0.00 N ATOM 1080 CA SER A 70 1.389 -13.964 1.104 1.00 0.00 C ATOM 1081 C SER A 70 1.538 -13.281 2.460 1.00 0.00 C ATOM 1082 O SER A 70 1.628 -12.056 2.543 1.00 0.00 O ATOM 1083 CB SER A 70 2.732 -14.552 0.666 1.00 0.00 C ATOM 1084 OG SER A 70 2.973 -15.798 1.296 1.00 0.00 O ATOM 0 H SER A 70 1.373 -12.124 0.097 1.00 0.00 H new ATOM 0 HA SER A 70 0.662 -14.770 1.200 1.00 0.00 H new ATOM 0 HB2 SER A 70 2.741 -14.681 -0.416 1.00 0.00 H new ATOM 0 HB3 SER A 70 3.534 -13.856 0.911 1.00 0.00 H new ATOM 0 HG SER A 70 3.931 -16.001 1.264 1.00 0.00 H new ATOM 1090 N GLU A 71 1.565 -14.083 3.520 1.00 0.00 N ATOM 1091 CA GLU A 71 1.702 -13.556 4.873 1.00 0.00 C ATOM 1092 C GLU A 71 3.150 -13.168 5.161 1.00 0.00 C ATOM 1093 O GLU A 71 4.053 -13.477 4.383 1.00 0.00 O ATOM 1094 CB GLU A 71 1.225 -14.587 5.897 1.00 0.00 C ATOM 1095 CG GLU A 71 1.804 -15.975 5.678 1.00 0.00 C ATOM 1096 CD GLU A 71 0.937 -16.833 4.778 1.00 0.00 C ATOM 1097 OE1 GLU A 71 -0.286 -16.590 4.724 1.00 0.00 O ATOM 1098 OE2 GLU A 71 1.483 -17.749 4.127 1.00 0.00 O ATOM 0 H GLU A 71 1.494 -15.099 3.468 1.00 0.00 H new ATOM 0 HA GLU A 71 1.082 -12.663 4.952 1.00 0.00 H new ATOM 0 HB2 GLU A 71 1.492 -14.244 6.897 1.00 0.00 H new ATOM 0 HB3 GLU A 71 0.137 -14.646 5.861 1.00 0.00 H new ATOM 0 HG2 GLU A 71 2.798 -15.885 5.240 1.00 0.00 H new ATOM 0 HG3 GLU A 71 1.924 -16.471 6.641 1.00 0.00 H new ATOM 1105 N ILE A 72 3.362 -12.490 6.284 1.00 0.00 N ATOM 1106 CA ILE A 72 4.699 -12.061 6.675 1.00 0.00 C ATOM 1107 C ILE A 72 5.357 -13.082 7.597 1.00 0.00 C ATOM 1108 O ILE A 72 4.722 -13.610 8.509 1.00 0.00 O ATOM 1109 CB ILE A 72 4.667 -10.693 7.383 1.00 0.00 C ATOM 1110 CG1 ILE A 72 3.770 -9.719 6.617 1.00 0.00 C ATOM 1111 CG2 ILE A 72 6.075 -10.133 7.516 1.00 0.00 C ATOM 1112 CD1 ILE A 72 3.430 -8.469 7.398 1.00 0.00 C ATOM 0 H ILE A 72 2.626 -12.226 6.939 1.00 0.00 H new ATOM 0 HA ILE A 72 5.282 -11.974 5.758 1.00 0.00 H new ATOM 0 HB ILE A 72 4.255 -10.827 8.383 1.00 0.00 H new ATOM 0 HG12 ILE A 72 4.266 -9.434 5.689 1.00 0.00 H new ATOM 0 HG13 ILE A 72 2.846 -10.228 6.342 1.00 0.00 H new ATOM 0 HG21 ILE A 72 6.036 -9.166 8.018 1.00 0.00 H new ATOM 0 HG22 ILE A 72 6.686 -10.821 8.100 1.00 0.00 H new ATOM 0 HG23 ILE A 72 6.513 -10.010 6.525 1.00 0.00 H new ATOM 0 HD11 ILE A 72 2.792 -7.825 6.793 1.00 0.00 H new ATOM 0 HD12 ILE A 72 2.906 -8.743 8.313 1.00 0.00 H new ATOM 0 HD13 ILE A 72 4.347 -7.937 7.651 1.00 0.00 H new ATOM 1124 N GLY A 73 6.635 -13.356 7.352 1.00 0.00 N ATOM 1125 CA GLY A 73 7.359 -14.312 8.170 1.00 0.00 C ATOM 1126 C GLY A 73 7.930 -15.456 7.355 1.00 0.00 C ATOM 1127 O GLY A 73 9.115 -15.459 7.024 1.00 0.00 O ATOM 0 H GLY A 73 7.182 -12.933 6.602 1.00 0.00 H new ATOM 0 HA2 GLY A 73 8.169 -13.801 8.690 1.00 0.00 H new ATOM 0 HA3 GLY A 73 6.692 -14.711 8.934 1.00 0.00 H new ATOM 1131 N ARG A 74 7.086 -16.430 7.033 1.00 0.00 N ATOM 1132 CA ARG A 74 7.514 -17.586 6.255 1.00 0.00 C ATOM 1133 C ARG A 74 8.469 -17.168 5.140 1.00 0.00 C ATOM 1134 O ARG A 74 9.558 -17.723 5.003 1.00 0.00 O ATOM 1135 CB ARG A 74 6.302 -18.305 5.659 1.00 0.00 C ATOM 1136 CG ARG A 74 6.666 -19.515 4.815 1.00 0.00 C ATOM 1137 CD ARG A 74 7.157 -20.668 5.676 1.00 0.00 C ATOM 1138 NE ARG A 74 8.592 -20.586 5.935 1.00 0.00 N ATOM 1139 CZ ARG A 74 9.252 -21.452 6.696 1.00 0.00 C ATOM 1140 NH1 ARG A 74 8.610 -22.460 7.270 1.00 0.00 N ATOM 1141 NH2 ARG A 74 10.558 -21.310 6.884 1.00 0.00 N ATOM 0 H ARG A 74 6.101 -16.442 7.299 1.00 0.00 H new ATOM 0 HA ARG A 74 8.039 -18.267 6.924 1.00 0.00 H new ATOM 0 HB2 ARG A 74 5.644 -18.622 6.468 1.00 0.00 H new ATOM 0 HB3 ARG A 74 5.738 -17.602 5.046 1.00 0.00 H new ATOM 0 HG2 ARG A 74 5.797 -19.834 4.240 1.00 0.00 H new ATOM 0 HG3 ARG A 74 7.439 -19.240 4.098 1.00 0.00 H new ATOM 0 HD2 ARG A 74 6.617 -20.669 6.623 1.00 0.00 H new ATOM 0 HD3 ARG A 74 6.932 -21.612 5.180 1.00 0.00 H new ATOM 0 HE ARG A 74 9.116 -19.822 5.508 1.00 0.00 H new ATOM 0 HH11 ARG A 74 7.606 -22.572 7.128 1.00 0.00 H new ATOM 0 HH12 ARG A 74 9.120 -23.123 7.854 1.00 0.00 H new ATOM 0 HH21 ARG A 74 11.055 -20.536 6.444 1.00 0.00 H new ATOM 0 HH22 ARG A 74 11.064 -21.975 7.468 1.00 0.00 H new ATOM 1155 N GLU A 75 8.051 -16.186 4.348 1.00 0.00 N ATOM 1156 CA GLU A 75 8.869 -15.694 3.245 1.00 0.00 C ATOM 1157 C GLU A 75 10.015 -14.829 3.761 1.00 0.00 C ATOM 1158 O GLU A 75 9.868 -14.106 4.747 1.00 0.00 O ATOM 1159 CB GLU A 75 8.012 -14.893 2.263 1.00 0.00 C ATOM 1160 CG GLU A 75 8.662 -14.703 0.903 1.00 0.00 C ATOM 1161 CD GLU A 75 8.401 -15.865 -0.036 1.00 0.00 C ATOM 1162 OE1 GLU A 75 7.898 -16.907 0.434 1.00 0.00 O ATOM 1163 OE2 GLU A 75 8.701 -15.733 -1.241 1.00 0.00 O ATOM 0 H GLU A 75 7.152 -15.716 4.449 1.00 0.00 H new ATOM 0 HA GLU A 75 9.292 -16.555 2.728 1.00 0.00 H new ATOM 0 HB2 GLU A 75 7.056 -15.399 2.132 1.00 0.00 H new ATOM 0 HB3 GLU A 75 7.798 -13.915 2.694 1.00 0.00 H new ATOM 0 HG2 GLU A 75 8.288 -13.784 0.451 1.00 0.00 H new ATOM 0 HG3 GLU A 75 9.737 -14.580 1.032 1.00 0.00 H new ATOM 1170 N LYS A 76 11.158 -14.907 3.088 1.00 0.00 N ATOM 1171 CA LYS A 76 12.330 -14.132 3.476 1.00 0.00 C ATOM 1172 C LYS A 76 13.113 -13.679 2.248 1.00 0.00 C ATOM 1173 O LYS A 76 12.873 -14.152 1.137 1.00 0.00 O ATOM 1174 CB LYS A 76 13.233 -14.959 4.394 1.00 0.00 C ATOM 1175 CG LYS A 76 12.829 -14.902 5.856 1.00 0.00 C ATOM 1176 CD LYS A 76 13.331 -13.634 6.525 1.00 0.00 C ATOM 1177 CE LYS A 76 12.411 -13.199 7.657 1.00 0.00 C ATOM 1178 NZ LYS A 76 12.377 -14.200 8.759 1.00 0.00 N ATOM 0 H LYS A 76 11.297 -15.500 2.270 1.00 0.00 H new ATOM 0 HA LYS A 76 11.988 -13.248 4.014 1.00 0.00 H new ATOM 0 HB2 LYS A 76 13.221 -15.997 4.063 1.00 0.00 H new ATOM 0 HB3 LYS A 76 14.259 -14.605 4.295 1.00 0.00 H new ATOM 0 HG2 LYS A 76 11.743 -14.951 5.936 1.00 0.00 H new ATOM 0 HG3 LYS A 76 13.227 -15.772 6.378 1.00 0.00 H new ATOM 0 HD2 LYS A 76 14.335 -13.800 6.914 1.00 0.00 H new ATOM 0 HD3 LYS A 76 13.403 -12.836 5.786 1.00 0.00 H new ATOM 0 HE2 LYS A 76 12.746 -12.239 8.049 1.00 0.00 H new ATOM 0 HE3 LYS A 76 11.403 -13.051 7.269 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 11.794 -13.837 9.540 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 11.970 -15.090 8.407 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 13.344 -14.373 9.101 1.00 0.00 H new ATOM 1192 N SER A 77 14.052 -12.761 2.456 1.00 0.00 N ATOM 1193 CA SER A 77 14.869 -12.243 1.365 1.00 0.00 C ATOM 1194 C SER A 77 16.164 -11.635 1.897 1.00 0.00 C ATOM 1195 O SER A 77 16.355 -11.519 3.107 1.00 0.00 O ATOM 1196 CB SER A 77 14.090 -11.194 0.569 1.00 0.00 C ATOM 1197 OG SER A 77 14.620 -11.046 -0.737 1.00 0.00 O ATOM 0 H SER A 77 14.266 -12.361 3.370 1.00 0.00 H new ATOM 0 HA SER A 77 15.121 -13.075 0.707 1.00 0.00 H new ATOM 0 HB2 SER A 77 13.041 -11.484 0.508 1.00 0.00 H new ATOM 0 HB3 SER A 77 14.126 -10.237 1.090 1.00 0.00 H new ATOM 0 HG SER A 77 14.103 -10.371 -1.225 1.00 0.00 H new ATOM 1203 N GLN A 78 17.048 -11.248 0.983 1.00 0.00 N ATOM 1204 CA GLN A 78 18.325 -10.653 1.360 1.00 0.00 C ATOM 1205 C GLN A 78 18.410 -9.205 0.890 1.00 0.00 C ATOM 1206 O GLN A 78 18.467 -8.281 1.702 1.00 0.00 O ATOM 1207 CB GLN A 78 19.482 -11.462 0.772 1.00 0.00 C ATOM 1208 CG GLN A 78 19.703 -12.799 1.461 1.00 0.00 C ATOM 1209 CD GLN A 78 20.953 -13.505 0.977 1.00 0.00 C ATOM 1210 OE1 GLN A 78 22.027 -13.364 1.563 1.00 0.00 O ATOM 1211 NE2 GLN A 78 20.821 -14.273 -0.099 1.00 0.00 N ATOM 0 H GLN A 78 16.904 -11.336 -0.023 1.00 0.00 H new ATOM 0 HA GLN A 78 18.397 -10.668 2.447 1.00 0.00 H new ATOM 0 HB2 GLN A 78 19.291 -11.636 -0.287 1.00 0.00 H new ATOM 0 HB3 GLN A 78 20.397 -10.873 0.839 1.00 0.00 H new ATOM 0 HG2 GLN A 78 19.773 -12.642 2.537 1.00 0.00 H new ATOM 0 HG3 GLN A 78 18.838 -13.440 1.288 1.00 0.00 H new ATOM 0 HE21 GLN A 78 19.912 -14.362 -0.554 1.00 0.00 H new ATOM 0 HE22 GLN A 78 21.628 -14.774 -0.470 1.00 0.00 H new ATOM 1220 N ASP A 79 18.419 -9.014 -0.424 1.00 0.00 N ATOM 1221 CA ASP A 79 18.496 -7.678 -1.003 1.00 0.00 C ATOM 1222 C ASP A 79 17.587 -6.708 -0.254 1.00 0.00 C ATOM 1223 O ASP A 79 16.363 -6.827 -0.302 1.00 0.00 O ATOM 1224 CB ASP A 79 18.113 -7.717 -2.483 1.00 0.00 C ATOM 1225 CG ASP A 79 19.288 -8.058 -3.377 1.00 0.00 C ATOM 1226 OD1 ASP A 79 20.438 -7.993 -2.895 1.00 0.00 O ATOM 1227 OD2 ASP A 79 19.059 -8.390 -4.559 1.00 0.00 O ATOM 0 H ASP A 79 18.374 -9.768 -1.109 1.00 0.00 H new ATOM 0 HA ASP A 79 19.524 -7.328 -0.912 1.00 0.00 H new ATOM 0 HB2 ASP A 79 17.322 -8.452 -2.631 1.00 0.00 H new ATOM 0 HB3 ASP A 79 17.707 -6.749 -2.776 1.00 0.00 H new ATOM 1232 N TRP A 80 18.195 -5.751 0.437 1.00 0.00 N ATOM 1233 CA TRP A 80 17.440 -4.761 1.197 1.00 0.00 C ATOM 1234 C TRP A 80 18.338 -3.609 1.635 1.00 0.00 C ATOM 1235 O TRP A 80 19.562 -3.698 1.551 1.00 0.00 O ATOM 1236 CB TRP A 80 16.792 -5.412 2.420 1.00 0.00 C ATOM 1237 CG TRP A 80 15.535 -6.162 2.098 1.00 0.00 C ATOM 1238 CD1 TRP A 80 15.237 -7.448 2.446 1.00 0.00 C ATOM 1239 CD2 TRP A 80 14.409 -5.671 1.363 1.00 0.00 C ATOM 1240 NE1 TRP A 80 13.993 -7.787 1.971 1.00 0.00 N ATOM 1241 CE2 TRP A 80 13.464 -6.714 1.304 1.00 0.00 C ATOM 1242 CE3 TRP A 80 14.107 -4.452 0.750 1.00 0.00 C ATOM 1243 CZ2 TRP A 80 12.240 -6.573 0.655 1.00 0.00 C ATOM 1244 CZ3 TRP A 80 12.891 -4.314 0.107 1.00 0.00 C ATOM 1245 CH2 TRP A 80 11.970 -5.368 0.064 1.00 0.00 C ATOM 0 H TRP A 80 19.208 -5.639 0.487 1.00 0.00 H new ATOM 0 HA TRP A 80 16.659 -4.362 0.550 1.00 0.00 H new ATOM 0 HB2 TRP A 80 17.506 -6.095 2.880 1.00 0.00 H new ATOM 0 HB3 TRP A 80 16.568 -4.641 3.157 1.00 0.00 H new ATOM 0 HD1 TRP A 80 15.884 -8.103 3.011 1.00 0.00 H new ATOM 0 HE1 TRP A 80 13.537 -8.691 2.095 1.00 0.00 H new ATOM 0 HE3 TRP A 80 14.810 -3.633 0.778 1.00 0.00 H new ATOM 0 HZ2 TRP A 80 11.529 -7.385 0.619 1.00 0.00 H new ATOM 0 HZ3 TRP A 80 12.647 -3.377 -0.371 1.00 0.00 H new ATOM 0 HH2 TRP A 80 11.028 -5.227 -0.445 1.00 0.00 H new ATOM 1256 N GLY A 81 17.722 -2.528 2.102 1.00 0.00 N ATOM 1257 CA GLY A 81 18.483 -1.374 2.546 1.00 0.00 C ATOM 1258 C GLY A 81 18.912 -1.486 3.996 1.00 0.00 C ATOM 1259 O GLY A 81 20.100 -1.400 4.307 1.00 0.00 O ATOM 0 H GLY A 81 16.710 -2.430 2.181 1.00 0.00 H new ATOM 0 HA2 GLY A 81 19.366 -1.261 1.917 1.00 0.00 H new ATOM 0 HA3 GLY A 81 17.882 -0.474 2.417 1.00 0.00 H new ATOM 1263 N SER A 82 17.943 -1.676 4.886 1.00 0.00 N ATOM 1264 CA SER A 82 18.226 -1.793 6.311 1.00 0.00 C ATOM 1265 C SER A 82 17.976 -3.217 6.799 1.00 0.00 C ATOM 1266 O SER A 82 16.847 -3.705 6.771 1.00 0.00 O ATOM 1267 CB SER A 82 17.365 -0.811 7.107 1.00 0.00 C ATOM 1268 OG SER A 82 17.556 0.518 6.653 1.00 0.00 O ATOM 0 H SER A 82 16.955 -1.752 4.645 1.00 0.00 H new ATOM 0 HA SER A 82 19.277 -1.552 6.468 1.00 0.00 H new ATOM 0 HB2 SER A 82 16.314 -1.084 7.012 1.00 0.00 H new ATOM 0 HB3 SER A 82 17.617 -0.877 8.165 1.00 0.00 H new ATOM 0 HG SER A 82 16.994 1.126 7.176 1.00 0.00 H new ATOM 1274 N ALA A 83 19.039 -3.878 7.246 1.00 0.00 N ATOM 1275 CA ALA A 83 18.936 -5.245 7.742 1.00 0.00 C ATOM 1276 C ALA A 83 18.007 -5.322 8.948 1.00 0.00 C ATOM 1277 O ALA A 83 17.352 -6.339 9.175 1.00 0.00 O ATOM 1278 CB ALA A 83 20.314 -5.782 8.100 1.00 0.00 C ATOM 0 H ALA A 83 19.981 -3.489 7.275 1.00 0.00 H new ATOM 0 HA ALA A 83 18.512 -5.862 6.950 1.00 0.00 H new ATOM 0 HB1 ALA A 83 20.222 -6.804 8.469 1.00 0.00 H new ATOM 0 HB2 ALA A 83 20.950 -5.772 7.215 1.00 0.00 H new ATOM 0 HB3 ALA A 83 20.759 -5.156 8.873 1.00 0.00 H new ATOM 1284 N GLY A 84 17.955 -4.241 9.720 1.00 0.00 N ATOM 1285 CA GLY A 84 17.103 -4.208 10.894 1.00 0.00 C ATOM 1286 C GLY A 84 15.750 -4.846 10.647 1.00 0.00 C ATOM 1287 O GLY A 84 15.138 -5.396 11.564 1.00 0.00 O ATOM 0 H GLY A 84 18.488 -3.387 9.553 1.00 0.00 H new ATOM 0 HA2 GLY A 84 17.600 -4.725 11.715 1.00 0.00 H new ATOM 0 HA3 GLY A 84 16.962 -3.174 11.208 1.00 0.00 H new ATOM 1291 N LEU A 85 15.281 -4.772 9.407 1.00 0.00 N ATOM 1292 CA LEU A 85 13.990 -5.346 9.042 1.00 0.00 C ATOM 1293 C LEU A 85 13.798 -6.713 9.691 1.00 0.00 C ATOM 1294 O LEU A 85 14.755 -7.328 10.161 1.00 0.00 O ATOM 1295 CB LEU A 85 13.877 -5.470 7.521 1.00 0.00 C ATOM 1296 CG LEU A 85 13.825 -4.155 6.743 1.00 0.00 C ATOM 1297 CD1 LEU A 85 14.202 -4.382 5.287 1.00 0.00 C ATOM 1298 CD2 LEU A 85 12.442 -3.529 6.846 1.00 0.00 C ATOM 0 H LEU A 85 15.775 -4.320 8.637 1.00 0.00 H new ATOM 0 HA LEU A 85 13.208 -4.679 9.405 1.00 0.00 H new ATOM 0 HB2 LEU A 85 14.726 -6.050 7.160 1.00 0.00 H new ATOM 0 HB3 LEU A 85 12.979 -6.042 7.289 1.00 0.00 H new ATOM 0 HG LEU A 85 14.547 -3.466 7.181 1.00 0.00 H new ATOM 0 HD11 LEU A 85 14.160 -3.435 4.748 1.00 0.00 H new ATOM 0 HD12 LEU A 85 15.213 -4.786 5.232 1.00 0.00 H new ATOM 0 HD13 LEU A 85 13.504 -5.088 4.836 1.00 0.00 H new ATOM 0 HD21 LEU A 85 12.423 -2.594 6.286 1.00 0.00 H new ATOM 0 HD22 LEU A 85 11.701 -4.214 6.433 1.00 0.00 H new ATOM 0 HD23 LEU A 85 12.210 -3.330 7.892 1.00 0.00 H new ATOM 1310 N GLY A 86 12.555 -7.184 9.711 1.00 0.00 N ATOM 1311 CA GLY A 86 12.261 -8.476 10.302 1.00 0.00 C ATOM 1312 C GLY A 86 10.928 -9.034 9.844 1.00 0.00 C ATOM 1313 O GLY A 86 9.926 -8.926 10.550 1.00 0.00 O ATOM 0 H GLY A 86 11.746 -6.694 9.328 1.00 0.00 H new ATOM 0 HA2 GLY A 86 13.053 -9.179 10.044 1.00 0.00 H new ATOM 0 HA3 GLY A 86 12.259 -8.383 11.388 1.00 0.00 H new ATOM 1317 N GLY A 87 10.914 -9.631 8.656 1.00 0.00 N ATOM 1318 CA GLY A 87 9.688 -10.196 8.124 1.00 0.00 C ATOM 1319 C GLY A 87 9.394 -9.722 6.715 1.00 0.00 C ATOM 1320 O GLY A 87 9.116 -8.543 6.494 1.00 0.00 O ATOM 0 H GLY A 87 11.730 -9.733 8.053 1.00 0.00 H new ATOM 0 HA2 GLY A 87 9.760 -11.284 8.130 1.00 0.00 H new ATOM 0 HA3 GLY A 87 8.856 -9.928 8.775 1.00 0.00 H new ATOM 1324 N VAL A 88 9.458 -10.641 5.757 1.00 0.00 N ATOM 1325 CA VAL A 88 9.197 -10.310 4.361 1.00 0.00 C ATOM 1326 C VAL A 88 7.959 -11.037 3.846 1.00 0.00 C ATOM 1327 O VAL A 88 7.723 -12.198 4.182 1.00 0.00 O ATOM 1328 CB VAL A 88 10.398 -10.667 3.466 1.00 0.00 C ATOM 1329 CG1 VAL A 88 10.106 -10.315 2.015 1.00 0.00 C ATOM 1330 CG2 VAL A 88 11.653 -9.959 3.952 1.00 0.00 C ATOM 0 H VAL A 88 9.688 -11.621 5.922 1.00 0.00 H new ATOM 0 HA VAL A 88 9.028 -9.234 4.317 1.00 0.00 H new ATOM 0 HB VAL A 88 10.568 -11.742 3.527 1.00 0.00 H new ATOM 0 HG11 VAL A 88 10.966 -10.574 1.398 1.00 0.00 H new ATOM 0 HG12 VAL A 88 9.233 -10.872 1.674 1.00 0.00 H new ATOM 0 HG13 VAL A 88 9.909 -9.246 1.932 1.00 0.00 H new ATOM 0 HG21 VAL A 88 12.492 -10.223 3.308 1.00 0.00 H new ATOM 0 HG22 VAL A 88 11.497 -8.881 3.922 1.00 0.00 H new ATOM 0 HG23 VAL A 88 11.871 -10.266 4.975 1.00 0.00 H new ATOM 1340 N PHE A 89 7.172 -10.347 3.028 1.00 0.00 N ATOM 1341 CA PHE A 89 5.958 -10.926 2.466 1.00 0.00 C ATOM 1342 C PHE A 89 5.808 -10.554 0.994 1.00 0.00 C ATOM 1343 O PHE A 89 6.294 -9.513 0.552 1.00 0.00 O ATOM 1344 CB PHE A 89 4.732 -10.454 3.251 1.00 0.00 C ATOM 1345 CG PHE A 89 4.485 -8.976 3.145 1.00 0.00 C ATOM 1346 CD1 PHE A 89 5.215 -8.082 3.911 1.00 0.00 C ATOM 1347 CD2 PHE A 89 3.524 -8.481 2.278 1.00 0.00 C ATOM 1348 CE1 PHE A 89 4.989 -6.722 3.816 1.00 0.00 C ATOM 1349 CE2 PHE A 89 3.294 -7.122 2.178 1.00 0.00 C ATOM 1350 CZ PHE A 89 4.028 -6.241 2.948 1.00 0.00 C ATOM 0 H PHE A 89 7.353 -9.386 2.739 1.00 0.00 H new ATOM 0 HA PHE A 89 6.034 -12.011 2.542 1.00 0.00 H new ATOM 0 HB2 PHE A 89 3.852 -10.988 2.891 1.00 0.00 H new ATOM 0 HB3 PHE A 89 4.859 -10.719 4.301 1.00 0.00 H new ATOM 0 HD1 PHE A 89 5.969 -8.452 4.590 1.00 0.00 H new ATOM 0 HD2 PHE A 89 2.948 -9.166 1.673 1.00 0.00 H new ATOM 0 HE1 PHE A 89 5.563 -6.035 4.420 1.00 0.00 H new ATOM 0 HE2 PHE A 89 2.541 -6.749 1.499 1.00 0.00 H new ATOM 0 HZ PHE A 89 3.851 -5.178 2.872 1.00 0.00 H new ATOM 1360 N LYS A 90 5.132 -11.413 0.239 1.00 0.00 N ATOM 1361 CA LYS A 90 4.916 -11.176 -1.184 1.00 0.00 C ATOM 1362 C LYS A 90 3.802 -10.157 -1.403 1.00 0.00 C ATOM 1363 O LYS A 90 2.950 -9.958 -0.537 1.00 0.00 O ATOM 1364 CB LYS A 90 4.570 -12.487 -1.893 1.00 0.00 C ATOM 1365 CG LYS A 90 5.784 -13.233 -2.420 1.00 0.00 C ATOM 1366 CD LYS A 90 5.496 -14.714 -2.596 1.00 0.00 C ATOM 1367 CE LYS A 90 5.553 -15.455 -1.269 1.00 0.00 C ATOM 1368 NZ LYS A 90 5.903 -16.891 -1.451 1.00 0.00 N ATOM 0 H LYS A 90 4.724 -12.280 0.589 1.00 0.00 H new ATOM 0 HA LYS A 90 5.838 -10.775 -1.605 1.00 0.00 H new ATOM 0 HB2 LYS A 90 4.030 -13.133 -1.201 1.00 0.00 H new ATOM 0 HB3 LYS A 90 3.896 -12.274 -2.723 1.00 0.00 H new ATOM 0 HG2 LYS A 90 6.089 -12.805 -3.375 1.00 0.00 H new ATOM 0 HG3 LYS A 90 6.619 -13.103 -1.731 1.00 0.00 H new ATOM 0 HD2 LYS A 90 4.511 -14.843 -3.044 1.00 0.00 H new ATOM 0 HD3 LYS A 90 6.220 -15.147 -3.287 1.00 0.00 H new ATOM 0 HE2 LYS A 90 6.289 -14.981 -0.620 1.00 0.00 H new ATOM 0 HE3 LYS A 90 4.588 -15.377 -0.768 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 6.415 -17.233 -0.612 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 5.033 -17.447 -1.576 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 6.506 -16.997 -2.292 1.00 0.00 H new ATOM 1382 N VAL A 91 3.813 -9.516 -2.567 1.00 0.00 N ATOM 1383 CA VAL A 91 2.802 -8.520 -2.901 1.00 0.00 C ATOM 1384 C VAL A 91 2.467 -8.554 -4.388 1.00 0.00 C ATOM 1385 O VAL A 91 3.360 -8.575 -5.235 1.00 0.00 O ATOM 1386 CB VAL A 91 3.266 -7.101 -2.523 1.00 0.00 C ATOM 1387 CG1 VAL A 91 3.255 -6.919 -1.013 1.00 0.00 C ATOM 1388 CG2 VAL A 91 4.650 -6.824 -3.092 1.00 0.00 C ATOM 0 H VAL A 91 4.511 -9.669 -3.295 1.00 0.00 H new ATOM 0 HA VAL A 91 1.911 -8.768 -2.325 1.00 0.00 H new ATOM 0 HB VAL A 91 2.570 -6.383 -2.956 1.00 0.00 H new ATOM 0 HG11 VAL A 91 3.586 -5.910 -0.766 1.00 0.00 H new ATOM 0 HG12 VAL A 91 2.244 -7.072 -0.635 1.00 0.00 H new ATOM 0 HG13 VAL A 91 3.927 -7.644 -0.554 1.00 0.00 H new ATOM 0 HG21 VAL A 91 4.962 -5.817 -2.815 1.00 0.00 H new ATOM 0 HG22 VAL A 91 5.360 -7.547 -2.691 1.00 0.00 H new ATOM 0 HG23 VAL A 91 4.621 -6.909 -4.178 1.00 0.00 H new ATOM 1398 N GLU A 92 1.174 -8.559 -4.698 1.00 0.00 N ATOM 1399 CA GLU A 92 0.722 -8.591 -6.084 1.00 0.00 C ATOM 1400 C GLU A 92 0.607 -7.179 -6.651 1.00 0.00 C ATOM 1401 O GLU A 92 -0.177 -6.365 -6.164 1.00 0.00 O ATOM 1402 CB GLU A 92 -0.627 -9.305 -6.186 1.00 0.00 C ATOM 1403 CG GLU A 92 -0.979 -9.743 -7.598 1.00 0.00 C ATOM 1404 CD GLU A 92 -0.386 -8.832 -8.656 1.00 0.00 C ATOM 1405 OE1 GLU A 92 -0.878 -7.694 -8.803 1.00 0.00 O ATOM 1406 OE2 GLU A 92 0.571 -9.258 -9.336 1.00 0.00 O ATOM 0 H GLU A 92 0.422 -8.541 -4.009 1.00 0.00 H new ATOM 0 HA GLU A 92 1.461 -9.139 -6.669 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -0.616 -10.180 -5.536 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -1.408 -8.642 -5.815 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -0.622 -10.760 -7.758 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -2.063 -9.764 -7.708 1.00 0.00 H new ATOM 1413 N TRP A 93 1.394 -6.897 -7.683 1.00 0.00 N ATOM 1414 CA TRP A 93 1.382 -5.584 -8.317 1.00 0.00 C ATOM 1415 C TRP A 93 0.316 -5.515 -9.406 1.00 0.00 C ATOM 1416 O TRP A 93 0.369 -6.259 -10.386 1.00 0.00 O ATOM 1417 CB TRP A 93 2.756 -5.268 -8.910 1.00 0.00 C ATOM 1418 CG TRP A 93 3.758 -4.829 -7.886 1.00 0.00 C ATOM 1419 CD1 TRP A 93 4.637 -5.623 -7.207 1.00 0.00 C ATOM 1420 CD2 TRP A 93 3.982 -3.492 -7.424 1.00 0.00 C ATOM 1421 NE1 TRP A 93 5.394 -4.860 -6.350 1.00 0.00 N ATOM 1422 CE2 TRP A 93 5.012 -3.550 -6.466 1.00 0.00 C ATOM 1423 CE3 TRP A 93 3.414 -2.252 -7.729 1.00 0.00 C ATOM 1424 CZ2 TRP A 93 5.483 -2.415 -5.810 1.00 0.00 C ATOM 1425 CZ3 TRP A 93 3.882 -1.127 -7.077 1.00 0.00 C ATOM 1426 CH2 TRP A 93 4.909 -1.214 -6.128 1.00 0.00 C ATOM 0 H TRP A 93 2.048 -7.560 -8.098 1.00 0.00 H new ATOM 0 HA TRP A 93 1.144 -4.842 -7.554 1.00 0.00 H new ATOM 0 HB2 TRP A 93 3.135 -6.152 -9.423 1.00 0.00 H new ATOM 0 HB3 TRP A 93 2.648 -4.486 -9.661 1.00 0.00 H new ATOM 0 HD1 TRP A 93 4.725 -6.693 -7.326 1.00 0.00 H new ATOM 0 HE1 TRP A 93 6.122 -5.212 -5.729 1.00 0.00 H new ATOM 0 HE3 TRP A 93 2.624 -2.174 -8.461 1.00 0.00 H new ATOM 0 HZ2 TRP A 93 6.273 -2.480 -5.077 1.00 0.00 H new ATOM 0 HZ3 TRP A 93 3.449 -0.164 -7.303 1.00 0.00 H new ATOM 0 HH2 TRP A 93 5.254 -0.316 -5.638 1.00 0.00 H new ATOM 1437 N ILE A 94 -0.648 -4.619 -9.228 1.00 0.00 N ATOM 1438 CA ILE A 94 -1.725 -4.453 -10.196 1.00 0.00 C ATOM 1439 C ILE A 94 -1.337 -3.457 -11.284 1.00 0.00 C ATOM 1440 O ILE A 94 -1.329 -3.789 -12.470 1.00 0.00 O ATOM 1441 CB ILE A 94 -3.024 -3.977 -9.519 1.00 0.00 C ATOM 1442 CG1 ILE A 94 -3.423 -4.940 -8.399 1.00 0.00 C ATOM 1443 CG2 ILE A 94 -4.142 -3.855 -10.544 1.00 0.00 C ATOM 1444 CD1 ILE A 94 -2.652 -4.725 -7.115 1.00 0.00 C ATOM 0 H ILE A 94 -0.706 -3.996 -8.422 1.00 0.00 H new ATOM 0 HA ILE A 94 -1.898 -5.431 -10.646 1.00 0.00 H new ATOM 0 HB ILE A 94 -2.850 -2.994 -9.082 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -4.488 -4.828 -8.197 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -3.269 -5.964 -8.739 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -5.053 -3.518 -10.050 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -3.856 -3.134 -11.310 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -4.318 -4.826 -11.007 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -2.987 -5.442 -6.365 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -1.587 -4.866 -7.302 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -2.826 -3.712 -6.751 1.00 0.00 H new ATOM 1456 N ARG A 95 -1.014 -2.235 -10.872 1.00 0.00 N ATOM 1457 CA ARG A 95 -0.625 -1.191 -11.811 1.00 0.00 C ATOM 1458 C ARG A 95 0.714 -0.574 -11.414 1.00 0.00 C ATOM 1459 O ARG A 95 0.902 -0.154 -10.272 1.00 0.00 O ATOM 1460 CB ARG A 95 -1.700 -0.104 -11.873 1.00 0.00 C ATOM 1461 CG ARG A 95 -3.096 -0.644 -12.137 1.00 0.00 C ATOM 1462 CD ARG A 95 -3.280 -1.026 -13.597 1.00 0.00 C ATOM 1463 NE ARG A 95 -4.460 -1.863 -13.800 1.00 0.00 N ATOM 1464 CZ ARG A 95 -5.013 -2.078 -14.988 1.00 0.00 C ATOM 1465 NH1 ARG A 95 -4.495 -1.521 -16.074 1.00 0.00 N ATOM 1466 NH2 ARG A 95 -6.085 -2.852 -15.092 1.00 0.00 N ATOM 0 H ARG A 95 -1.014 -1.944 -9.894 1.00 0.00 H new ATOM 0 HA ARG A 95 -0.519 -1.645 -12.796 1.00 0.00 H new ATOM 0 HB2 ARG A 95 -1.704 0.446 -10.932 1.00 0.00 H new ATOM 0 HB3 ARG A 95 -1.440 0.608 -12.657 1.00 0.00 H new ATOM 0 HG2 ARG A 95 -3.275 -1.515 -11.507 1.00 0.00 H new ATOM 0 HG3 ARG A 95 -3.836 0.107 -11.861 1.00 0.00 H new ATOM 0 HD2 ARG A 95 -3.369 -0.122 -14.200 1.00 0.00 H new ATOM 0 HD3 ARG A 95 -2.395 -1.557 -13.947 1.00 0.00 H new ATOM 0 HE ARG A 95 -4.882 -2.307 -12.984 1.00 0.00 H new ATOM 0 HH11 ARG A 95 -3.670 -0.926 -15.998 1.00 0.00 H new ATOM 0 HH12 ARG A 95 -4.921 -1.688 -16.985 1.00 0.00 H new ATOM 0 HH21 ARG A 95 -6.486 -3.283 -14.259 1.00 0.00 H new ATOM 0 HH22 ARG A 95 -6.509 -3.016 -16.005 1.00 0.00 H new ATOM 1480 N LYS A 96 1.641 -0.524 -12.364 1.00 0.00 N ATOM 1481 CA LYS A 96 2.962 0.041 -12.116 1.00 0.00 C ATOM 1482 C LYS A 96 3.073 1.444 -12.703 1.00 0.00 C ATOM 1483 O LYS A 96 4.173 1.964 -12.887 1.00 0.00 O ATOM 1484 CB LYS A 96 4.045 -0.860 -12.712 1.00 0.00 C ATOM 1485 CG LYS A 96 4.201 -2.186 -11.988 1.00 0.00 C ATOM 1486 CD LYS A 96 4.789 -3.253 -12.896 1.00 0.00 C ATOM 1487 CE LYS A 96 5.524 -4.320 -12.099 1.00 0.00 C ATOM 1488 NZ LYS A 96 4.608 -5.405 -11.650 1.00 0.00 N ATOM 0 H LYS A 96 1.502 -0.868 -13.314 1.00 0.00 H new ATOM 0 HA LYS A 96 3.105 0.105 -11.037 1.00 0.00 H new ATOM 0 HB2 LYS A 96 3.810 -1.053 -13.759 1.00 0.00 H new ATOM 0 HB3 LYS A 96 4.998 -0.331 -12.692 1.00 0.00 H new ATOM 0 HG2 LYS A 96 4.844 -2.053 -11.118 1.00 0.00 H new ATOM 0 HG3 LYS A 96 3.230 -2.516 -11.619 1.00 0.00 H new ATOM 0 HD2 LYS A 96 3.992 -3.716 -13.478 1.00 0.00 H new ATOM 0 HD3 LYS A 96 5.475 -2.791 -13.606 1.00 0.00 H new ATOM 0 HE2 LYS A 96 6.320 -4.746 -12.710 1.00 0.00 H new ATOM 0 HE3 LYS A 96 5.999 -3.863 -11.231 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 4.956 -5.805 -10.755 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 3.653 -5.017 -11.508 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 4.574 -6.152 -12.373 1.00 0.00 H new ATOM 1502 N GLU A 97 1.927 2.051 -12.994 1.00 0.00 N ATOM 1503 CA GLU A 97 1.897 3.395 -13.560 1.00 0.00 C ATOM 1504 C GLU A 97 1.995 4.450 -12.462 1.00 0.00 C ATOM 1505 O GLU A 97 1.849 4.145 -11.279 1.00 0.00 O ATOM 1506 CB GLU A 97 0.616 3.603 -14.370 1.00 0.00 C ATOM 1507 CG GLU A 97 0.776 4.580 -15.523 1.00 0.00 C ATOM 1508 CD GLU A 97 2.003 4.291 -16.366 1.00 0.00 C ATOM 1509 OE1 GLU A 97 2.104 3.168 -16.902 1.00 0.00 O ATOM 1510 OE2 GLU A 97 2.862 5.189 -16.489 1.00 0.00 O ATOM 0 H GLU A 97 1.008 1.634 -12.847 1.00 0.00 H new ATOM 0 HA GLU A 97 2.757 3.502 -14.221 1.00 0.00 H new ATOM 0 HB2 GLU A 97 0.285 2.642 -14.763 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -0.169 3.964 -13.706 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -0.112 4.540 -16.154 1.00 0.00 H new ATOM 0 HG3 GLU A 97 0.841 5.594 -15.129 1.00 0.00 H new ATOM 1517 N SER A 98 2.242 5.693 -12.864 1.00 0.00 N ATOM 1518 CA SER A 98 2.364 6.793 -11.915 1.00 0.00 C ATOM 1519 C SER A 98 1.137 7.698 -11.973 1.00 0.00 C ATOM 1520 O SER A 98 0.763 8.189 -13.039 1.00 0.00 O ATOM 1521 CB SER A 98 3.627 7.607 -12.205 1.00 0.00 C ATOM 1522 OG SER A 98 4.632 6.798 -12.790 1.00 0.00 O ATOM 0 H SER A 98 2.361 5.963 -13.840 1.00 0.00 H new ATOM 0 HA SER A 98 2.435 6.370 -10.913 1.00 0.00 H new ATOM 0 HB2 SER A 98 3.385 8.433 -12.874 1.00 0.00 H new ATOM 0 HB3 SER A 98 4.001 8.045 -11.280 1.00 0.00 H new ATOM 0 HG SER A 98 5.428 7.342 -12.967 1.00 0.00 H new ATOM 1528 N LEU A 99 0.516 7.915 -10.819 1.00 0.00 N ATOM 1529 CA LEU A 99 -0.670 8.761 -10.736 1.00 0.00 C ATOM 1530 C LEU A 99 -0.369 10.047 -9.972 1.00 0.00 C ATOM 1531 O LEU A 99 0.083 10.026 -8.826 1.00 0.00 O ATOM 1532 CB LEU A 99 -1.813 8.006 -10.056 1.00 0.00 C ATOM 1533 CG LEU A 99 -3.094 8.805 -9.813 1.00 0.00 C ATOM 1534 CD1 LEU A 99 -3.904 8.918 -11.096 1.00 0.00 C ATOM 1535 CD2 LEU A 99 -3.924 8.161 -8.712 1.00 0.00 C ATOM 0 H LEU A 99 0.814 7.517 -9.928 1.00 0.00 H new ATOM 0 HA LEU A 99 -0.970 9.024 -11.750 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -2.061 7.137 -10.665 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -1.455 7.632 -9.097 1.00 0.00 H new ATOM 0 HG LEU A 99 -2.817 9.809 -9.492 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -4.812 9.490 -10.904 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -3.311 9.424 -11.857 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -4.170 7.921 -11.447 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -4.832 8.743 -8.553 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -4.191 7.145 -9.004 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -3.345 8.132 -7.789 1.00 0.00 H new ATOM 1547 N PRO A 100 -0.626 11.194 -10.618 1.00 0.00 N ATOM 1548 CA PRO A 100 -0.392 12.510 -10.017 1.00 0.00 C ATOM 1549 C PRO A 100 -1.371 12.813 -8.887 1.00 0.00 C ATOM 1550 O PRO A 100 -2.563 12.527 -8.992 1.00 0.00 O ATOM 1551 CB PRO A 100 -0.608 13.476 -11.184 1.00 0.00 C ATOM 1552 CG PRO A 100 -1.517 12.750 -12.114 1.00 0.00 C ATOM 1553 CD PRO A 100 -1.164 11.294 -11.985 1.00 0.00 C ATOM 0 HA PRO A 100 0.597 12.581 -9.564 1.00 0.00 H new ATOM 0 HB2 PRO A 100 -1.053 14.412 -10.846 1.00 0.00 H new ATOM 0 HB3 PRO A 100 0.335 13.728 -11.669 1.00 0.00 H new ATOM 0 HG2 PRO A 100 -2.561 12.923 -11.854 1.00 0.00 H new ATOM 0 HG3 PRO A 100 -1.383 13.095 -13.139 1.00 0.00 H new ATOM 0 HD2 PRO A 100 -2.037 10.655 -12.121 1.00 0.00 H new ATOM 0 HD3 PRO A 100 -0.428 10.991 -12.730 1.00 0.00 H new ATOM 1561 N PHE A 101 -0.859 13.395 -7.807 1.00 0.00 N ATOM 1562 CA PHE A 101 -1.688 13.736 -6.657 1.00 0.00 C ATOM 1563 C PHE A 101 -2.872 14.602 -7.078 1.00 0.00 C ATOM 1564 O PHE A 101 -3.825 14.778 -6.320 1.00 0.00 O ATOM 1565 CB PHE A 101 -0.856 14.469 -5.602 1.00 0.00 C ATOM 1566 CG PHE A 101 0.038 13.560 -4.807 1.00 0.00 C ATOM 1567 CD1 PHE A 101 -0.446 12.368 -4.292 1.00 0.00 C ATOM 1568 CD2 PHE A 101 1.361 13.898 -4.575 1.00 0.00 C ATOM 1569 CE1 PHE A 101 0.374 11.531 -3.559 1.00 0.00 C ATOM 1570 CE2 PHE A 101 2.186 13.065 -3.843 1.00 0.00 C ATOM 1571 CZ PHE A 101 1.692 11.879 -3.335 1.00 0.00 C ATOM 0 H PHE A 101 0.126 13.640 -7.705 1.00 0.00 H new ATOM 0 HA PHE A 101 -2.071 12.810 -6.229 1.00 0.00 H new ATOM 0 HB2 PHE A 101 -0.246 15.227 -6.094 1.00 0.00 H new ATOM 0 HB3 PHE A 101 -1.527 14.993 -4.921 1.00 0.00 H new ATOM 0 HD1 PHE A 101 -1.475 12.090 -4.465 1.00 0.00 H new ATOM 0 HD2 PHE A 101 1.753 14.823 -4.971 1.00 0.00 H new ATOM 0 HE1 PHE A 101 -0.015 10.605 -3.162 1.00 0.00 H new ATOM 0 HE2 PHE A 101 3.215 13.341 -3.668 1.00 0.00 H new ATOM 0 HZ PHE A 101 2.335 11.225 -2.764 1.00 0.00 H new ATOM 1581 N GLN A 102 -2.802 15.140 -8.292 1.00 0.00 N ATOM 1582 CA GLN A 102 -3.868 15.988 -8.813 1.00 0.00 C ATOM 1583 C GLN A 102 -5.144 15.183 -9.035 1.00 0.00 C ATOM 1584 O GLN A 102 -6.250 15.688 -8.839 1.00 0.00 O ATOM 1585 CB GLN A 102 -3.430 16.644 -10.124 1.00 0.00 C ATOM 1586 CG GLN A 102 -2.039 17.254 -10.064 1.00 0.00 C ATOM 1587 CD GLN A 102 -2.043 18.664 -9.508 1.00 0.00 C ATOM 1588 OE1 GLN A 102 -1.649 18.893 -8.364 1.00 0.00 O ATOM 1589 NE2 GLN A 102 -2.489 19.618 -10.316 1.00 0.00 N ATOM 0 H GLN A 102 -2.020 15.004 -8.932 1.00 0.00 H new ATOM 0 HA GLN A 102 -4.074 16.765 -8.077 1.00 0.00 H new ATOM 0 HB2 GLN A 102 -3.457 15.900 -10.920 1.00 0.00 H new ATOM 0 HB3 GLN A 102 -4.147 17.421 -10.389 1.00 0.00 H new ATOM 0 HG2 GLN A 102 -1.397 16.626 -9.446 1.00 0.00 H new ATOM 0 HG3 GLN A 102 -1.607 17.264 -11.065 1.00 0.00 H new ATOM 0 HE21 GLN A 102 -2.806 19.383 -11.257 1.00 0.00 H new ATOM 0 HE22 GLN A 102 -2.515 20.586 -9.996 1.00 0.00 H new ATOM 1598 N PHE A 103 -4.984 13.930 -9.446 1.00 0.00 N ATOM 1599 CA PHE A 103 -6.124 13.055 -9.696 1.00 0.00 C ATOM 1600 C PHE A 103 -6.807 12.664 -8.388 1.00 0.00 C ATOM 1601 O PHE A 103 -8.022 12.476 -8.342 1.00 0.00 O ATOM 1602 CB PHE A 103 -5.676 11.799 -10.446 1.00 0.00 C ATOM 1603 CG PHE A 103 -5.557 11.998 -11.930 1.00 0.00 C ATOM 1604 CD1 PHE A 103 -4.836 13.062 -12.444 1.00 0.00 C ATOM 1605 CD2 PHE A 103 -6.167 11.119 -12.810 1.00 0.00 C ATOM 1606 CE1 PHE A 103 -4.724 13.248 -13.809 1.00 0.00 C ATOM 1607 CE2 PHE A 103 -6.059 11.299 -14.176 1.00 0.00 C ATOM 1608 CZ PHE A 103 -5.337 12.365 -14.677 1.00 0.00 C ATOM 0 H PHE A 103 -4.076 13.497 -9.613 1.00 0.00 H new ATOM 0 HA PHE A 103 -6.840 13.600 -10.311 1.00 0.00 H new ATOM 0 HB2 PHE A 103 -4.713 11.475 -10.052 1.00 0.00 H new ATOM 0 HB3 PHE A 103 -6.387 10.996 -10.251 1.00 0.00 H new ATOM 0 HD1 PHE A 103 -4.355 13.755 -11.770 1.00 0.00 H new ATOM 0 HD2 PHE A 103 -6.733 10.284 -12.424 1.00 0.00 H new ATOM 0 HE1 PHE A 103 -4.158 14.082 -14.197 1.00 0.00 H new ATOM 0 HE2 PHE A 103 -6.539 10.606 -14.852 1.00 0.00 H new ATOM 0 HZ PHE A 103 -5.252 12.508 -15.744 1.00 0.00 H new ATOM 1618 N ALA A 104 -6.015 12.544 -7.327 1.00 0.00 N ATOM 1619 CA ALA A 104 -6.542 12.178 -6.019 1.00 0.00 C ATOM 1620 C ALA A 104 -6.668 13.400 -5.115 1.00 0.00 C ATOM 1621 O ALA A 104 -6.889 13.273 -3.910 1.00 0.00 O ATOM 1622 CB ALA A 104 -5.655 11.127 -5.368 1.00 0.00 C ATOM 0 H ALA A 104 -5.006 12.695 -7.348 1.00 0.00 H new ATOM 0 HA ALA A 104 -7.539 11.760 -6.161 1.00 0.00 H new ATOM 0 HB1 ALA A 104 -6.061 10.863 -4.391 1.00 0.00 H new ATOM 0 HB2 ALA A 104 -5.620 10.239 -5.999 1.00 0.00 H new ATOM 0 HB3 ALA A 104 -4.648 11.525 -5.247 1.00 0.00 H new ATOM 1628 N HIS A 105 -6.525 14.583 -5.704 1.00 0.00 N ATOM 1629 CA HIS A 105 -6.622 15.828 -4.952 1.00 0.00 C ATOM 1630 C HIS A 105 -8.024 16.007 -4.376 1.00 0.00 C ATOM 1631 O HIS A 105 -8.237 16.819 -3.475 1.00 0.00 O ATOM 1632 CB HIS A 105 -6.269 17.018 -5.845 1.00 0.00 C ATOM 1633 CG HIS A 105 -5.995 18.278 -5.084 1.00 0.00 C ATOM 1634 ND1 HIS A 105 -6.310 18.436 -3.751 1.00 0.00 N ATOM 1635 CD2 HIS A 105 -5.428 19.443 -5.476 1.00 0.00 C ATOM 1636 CE1 HIS A 105 -5.952 19.645 -3.356 1.00 0.00 C ATOM 1637 NE2 HIS A 105 -5.414 20.276 -4.384 1.00 0.00 N ATOM 0 H HIS A 105 -6.342 14.705 -6.700 1.00 0.00 H new ATOM 0 HA HIS A 105 -5.912 15.781 -4.126 1.00 0.00 H new ATOM 0 HB2 HIS A 105 -5.393 16.766 -6.442 1.00 0.00 H new ATOM 0 HB3 HIS A 105 -7.089 17.195 -6.541 1.00 0.00 H new ATOM 0 HD1 HIS A 105 -6.751 17.730 -3.162 1.00 0.00 H new ATOM 0 HD2 HIS A 105 -5.056 19.674 -6.463 1.00 0.00 H new ATOM 0 HE1 HIS A 105 -6.078 20.048 -2.362 1.00 0.00 H new ATOM 1645 N HIS A 106 -8.976 15.245 -4.904 1.00 0.00 N ATOM 1646 CA HIS A 106 -10.358 15.319 -4.442 1.00 0.00 C ATOM 1647 C HIS A 106 -10.627 14.276 -3.362 1.00 0.00 C ATOM 1648 O HIS A 106 -11.579 14.398 -2.590 1.00 0.00 O ATOM 1649 CB HIS A 106 -11.320 15.118 -5.613 1.00 0.00 C ATOM 1650 CG HIS A 106 -11.305 13.728 -6.170 1.00 0.00 C ATOM 1651 ND1 HIS A 106 -10.242 13.215 -6.884 1.00 0.00 N ATOM 1652 CD2 HIS A 106 -12.229 12.741 -6.113 1.00 0.00 C ATOM 1653 CE1 HIS A 106 -10.514 11.973 -7.243 1.00 0.00 C ATOM 1654 NE2 HIS A 106 -11.714 11.661 -6.787 1.00 0.00 N ATOM 0 H HIS A 106 -8.817 14.570 -5.652 1.00 0.00 H new ATOM 0 HA HIS A 106 -10.520 16.308 -4.014 1.00 0.00 H new ATOM 0 HB2 HIS A 106 -12.332 15.359 -5.286 1.00 0.00 H new ATOM 0 HB3 HIS A 106 -11.065 15.821 -6.406 1.00 0.00 H new ATOM 0 HD2 HIS A 106 -13.192 12.793 -5.628 1.00 0.00 H new ATOM 0 HE1 HIS A 106 -9.866 11.323 -7.812 1.00 0.00 H new ATOM 0 HE2 HIS A 106 -12.182 10.764 -6.915 1.00 0.00 H new ATOM 1662 N LEU A 107 -9.785 13.250 -3.315 1.00 0.00 N ATOM 1663 CA LEU A 107 -9.932 12.184 -2.330 1.00 0.00 C ATOM 1664 C LEU A 107 -9.233 12.549 -1.024 1.00 0.00 C ATOM 1665 O LEU A 107 -8.184 13.193 -1.028 1.00 0.00 O ATOM 1666 CB LEU A 107 -9.363 10.874 -2.877 1.00 0.00 C ATOM 1667 CG LEU A 107 -9.858 10.454 -4.262 1.00 0.00 C ATOM 1668 CD1 LEU A 107 -9.107 9.224 -4.747 1.00 0.00 C ATOM 1669 CD2 LEU A 107 -11.357 10.190 -4.234 1.00 0.00 C ATOM 0 H LEU A 107 -8.993 13.133 -3.947 1.00 0.00 H new ATOM 0 HA LEU A 107 -10.995 12.054 -2.128 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -8.277 10.959 -2.912 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -9.598 10.077 -2.172 1.00 0.00 H new ATOM 0 HG LEU A 107 -9.665 11.270 -4.959 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -9.473 8.940 -5.734 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -8.042 9.448 -4.805 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -9.267 8.401 -4.050 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -11.693 9.892 -5.227 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -11.573 9.392 -3.524 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -11.881 11.097 -3.931 1.00 0.00 H new ATOM 1681 N LEU A 108 -9.820 12.131 0.092 1.00 0.00 N ATOM 1682 CA LEU A 108 -9.253 12.411 1.406 1.00 0.00 C ATOM 1683 C LEU A 108 -9.459 11.232 2.351 1.00 0.00 C ATOM 1684 O LEU A 108 -10.088 10.238 1.991 1.00 0.00 O ATOM 1685 CB LEU A 108 -9.887 13.671 1.999 1.00 0.00 C ATOM 1686 CG LEU A 108 -9.882 14.910 1.103 1.00 0.00 C ATOM 1687 CD1 LEU A 108 -10.875 15.942 1.615 1.00 0.00 C ATOM 1688 CD2 LEU A 108 -8.484 15.505 1.024 1.00 0.00 C ATOM 0 H LEU A 108 -10.689 11.597 0.113 1.00 0.00 H new ATOM 0 HA LEU A 108 -8.182 12.573 1.285 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -10.919 13.444 2.265 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -9.366 13.915 2.925 1.00 0.00 H new ATOM 0 HG LEU A 108 -10.185 14.611 0.099 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -10.858 16.817 0.965 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -11.877 15.512 1.619 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -10.603 16.237 2.628 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -8.499 16.386 0.382 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -8.153 15.789 2.023 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -7.797 14.767 0.610 1.00 0.00 H new ATOM 1700 N ASN A 109 -8.925 11.350 3.563 1.00 0.00 N ATOM 1701 CA ASN A 109 -9.052 10.294 4.561 1.00 0.00 C ATOM 1702 C ASN A 109 -9.712 10.822 5.831 1.00 0.00 C ATOM 1703 O ASN A 109 -9.070 11.430 6.687 1.00 0.00 O ATOM 1704 CB ASN A 109 -7.677 9.710 4.892 1.00 0.00 C ATOM 1705 CG ASN A 109 -7.773 8.421 5.685 1.00 0.00 C ATOM 1706 OD1 ASN A 109 -8.640 7.585 5.430 1.00 0.00 O ATOM 1707 ND2 ASN A 109 -6.879 8.253 6.653 1.00 0.00 N ATOM 0 H ASN A 109 -8.400 12.166 3.877 1.00 0.00 H new ATOM 0 HA ASN A 109 -9.683 9.509 4.145 1.00 0.00 H new ATOM 0 HB2 ASN A 109 -7.132 9.525 3.967 1.00 0.00 H new ATOM 0 HB3 ASN A 109 -7.102 10.441 5.460 1.00 0.00 H new ATOM 0 HD21 ASN A 109 -6.894 7.405 7.219 1.00 0.00 H new ATOM 0 HD22 ASN A 109 -6.178 8.972 6.830 1.00 0.00 H new ATOM 1714 N PRO A 110 -11.026 10.585 5.957 1.00 0.00 N ATOM 1715 CA PRO A 110 -11.803 11.027 7.119 1.00 0.00 C ATOM 1716 C PRO A 110 -11.443 10.256 8.384 1.00 0.00 C ATOM 1717 O PRO A 110 -12.046 10.457 9.438 1.00 0.00 O ATOM 1718 CB PRO A 110 -13.249 10.738 6.710 1.00 0.00 C ATOM 1719 CG PRO A 110 -13.148 9.640 5.709 1.00 0.00 C ATOM 1720 CD PRO A 110 -11.855 9.867 4.974 1.00 0.00 C ATOM 0 HA PRO A 110 -11.615 12.073 7.361 1.00 0.00 H new ATOM 0 HB2 PRO A 110 -13.850 10.437 7.568 1.00 0.00 H new ATOM 0 HB3 PRO A 110 -13.723 11.621 6.282 1.00 0.00 H new ATOM 0 HG2 PRO A 110 -13.154 8.665 6.197 1.00 0.00 H new ATOM 0 HG3 PRO A 110 -13.995 9.658 5.023 1.00 0.00 H new ATOM 0 HD2 PRO A 110 -11.395 8.927 4.670 1.00 0.00 H new ATOM 0 HD3 PRO A 110 -12.005 10.455 4.069 1.00 0.00 H new ATOM 1728 N TRP A 111 -10.457 9.373 8.272 1.00 0.00 N ATOM 1729 CA TRP A 111 -10.016 8.571 9.408 1.00 0.00 C ATOM 1730 C TRP A 111 -8.975 9.321 10.232 1.00 0.00 C ATOM 1731 O TRP A 111 -8.781 9.035 11.413 1.00 0.00 O ATOM 1732 CB TRP A 111 -9.441 7.239 8.926 1.00 0.00 C ATOM 1733 CG TRP A 111 -10.491 6.247 8.528 1.00 0.00 C ATOM 1734 CD1 TRP A 111 -11.797 6.513 8.228 1.00 0.00 C ATOM 1735 CD2 TRP A 111 -10.325 4.832 8.389 1.00 0.00 C ATOM 1736 NE1 TRP A 111 -12.453 5.347 7.911 1.00 0.00 N ATOM 1737 CE2 TRP A 111 -11.572 4.302 8.002 1.00 0.00 C ATOM 1738 CE3 TRP A 111 -9.245 3.961 8.552 1.00 0.00 C ATOM 1739 CZ2 TRP A 111 -11.765 2.942 7.777 1.00 0.00 C ATOM 1740 CZ3 TRP A 111 -9.438 2.611 8.329 1.00 0.00 C ATOM 1741 CH2 TRP A 111 -10.690 2.112 7.944 1.00 0.00 C ATOM 0 H TRP A 111 -9.948 9.194 7.406 1.00 0.00 H new ATOM 0 HA TRP A 111 -10.881 8.376 10.041 1.00 0.00 H new ATOM 0 HB2 TRP A 111 -8.784 7.422 8.076 1.00 0.00 H new ATOM 0 HB3 TRP A 111 -8.827 6.809 9.717 1.00 0.00 H new ATOM 0 HD1 TRP A 111 -12.248 7.494 8.238 1.00 0.00 H new ATOM 0 HE1 TRP A 111 -13.436 5.272 7.650 1.00 0.00 H new ATOM 0 HE3 TRP A 111 -8.276 4.336 8.847 1.00 0.00 H new ATOM 0 HZ2 TRP A 111 -12.729 2.556 7.481 1.00 0.00 H new ATOM 0 HZ3 TRP A 111 -8.610 1.929 8.453 1.00 0.00 H new ATOM 0 HH2 TRP A 111 -10.809 1.052 7.776 1.00 0.00 H new ATOM 1752 N ASN A 112 -8.307 10.281 9.601 1.00 0.00 N ATOM 1753 CA ASN A 112 -7.284 11.072 10.277 1.00 0.00 C ATOM 1754 C ASN A 112 -7.446 12.555 9.961 1.00 0.00 C ATOM 1755 O ASN A 112 -6.797 13.082 9.056 1.00 0.00 O ATOM 1756 CB ASN A 112 -5.889 10.599 9.864 1.00 0.00 C ATOM 1757 CG ASN A 112 -5.566 10.943 8.423 1.00 0.00 C ATOM 1758 OD1 ASN A 112 -6.399 10.777 7.532 1.00 0.00 O ATOM 1759 ND2 ASN A 112 -4.351 11.424 8.188 1.00 0.00 N ATOM 0 H ASN A 112 -8.455 10.530 8.623 1.00 0.00 H new ATOM 0 HA ASN A 112 -7.403 10.933 11.352 1.00 0.00 H new ATOM 0 HB2 ASN A 112 -5.145 11.053 10.519 1.00 0.00 H new ATOM 0 HB3 ASN A 112 -5.818 9.520 10.002 1.00 0.00 H new ATOM 0 HD21 ASN A 112 -4.076 11.673 7.238 1.00 0.00 H new ATOM 0 HD22 ASN A 112 -3.693 11.545 8.958 1.00 0.00 H new ATOM 1766 N ASP A 113 -8.314 13.224 10.711 1.00 0.00 N ATOM 1767 CA ASP A 113 -8.560 14.647 10.512 1.00 0.00 C ATOM 1768 C ASP A 113 -8.864 14.947 9.048 1.00 0.00 C ATOM 1769 O ASP A 113 -8.381 15.933 8.493 1.00 0.00 O ATOM 1770 CB ASP A 113 -7.352 15.465 10.973 1.00 0.00 C ATOM 1771 CG ASP A 113 -7.059 15.282 12.449 1.00 0.00 C ATOM 1772 OD1 ASP A 113 -8.010 15.344 13.256 1.00 0.00 O ATOM 1773 OD2 ASP A 113 -5.878 15.077 12.798 1.00 0.00 O ATOM 0 H ASP A 113 -8.860 12.803 11.463 1.00 0.00 H new ATOM 0 HA ASP A 113 -9.428 14.927 11.109 1.00 0.00 H new ATOM 0 HB2 ASP A 113 -6.477 15.173 10.393 1.00 0.00 H new ATOM 0 HB3 ASP A 113 -7.532 16.521 10.769 1.00 0.00 H new ATOM 1778 N ASN A 114 -9.666 14.088 8.427 1.00 0.00 N ATOM 1779 CA ASN A 114 -10.033 14.259 7.026 1.00 0.00 C ATOM 1780 C ASN A 114 -8.885 14.879 6.235 1.00 0.00 C ATOM 1781 O ASN A 114 -9.086 15.803 5.447 1.00 0.00 O ATOM 1782 CB ASN A 114 -11.280 15.137 6.908 1.00 0.00 C ATOM 1783 CG ASN A 114 -11.136 16.451 7.652 1.00 0.00 C ATOM 1784 OD1 ASN A 114 -11.419 16.534 8.847 1.00 0.00 O ATOM 1785 ND2 ASN A 114 -10.693 17.485 6.947 1.00 0.00 N ATOM 0 H ASN A 114 -10.074 13.266 8.872 1.00 0.00 H new ATOM 0 HA ASN A 114 -10.248 13.275 6.610 1.00 0.00 H new ATOM 0 HB2 ASN A 114 -11.480 15.339 5.856 1.00 0.00 H new ATOM 0 HB3 ASN A 114 -12.141 14.594 7.298 1.00 0.00 H new ATOM 0 HD21 ASN A 114 -10.575 18.394 7.394 1.00 0.00 H new ATOM 0 HD22 ASN A 114 -10.471 17.370 5.958 1.00 0.00 H new ATOM 1792 N LYS A 115 -7.679 14.363 6.451 1.00 0.00 N ATOM 1793 CA LYS A 115 -6.498 14.862 5.758 1.00 0.00 C ATOM 1794 C LYS A 115 -6.369 14.229 4.376 1.00 0.00 C ATOM 1795 O LYS A 115 -6.898 13.145 4.127 1.00 0.00 O ATOM 1796 CB LYS A 115 -5.240 14.577 6.581 1.00 0.00 C ATOM 1797 CG LYS A 115 -4.888 15.685 7.558 1.00 0.00 C ATOM 1798 CD LYS A 115 -4.420 16.937 6.837 1.00 0.00 C ATOM 1799 CE LYS A 115 -4.180 18.083 7.808 1.00 0.00 C ATOM 1800 NZ LYS A 115 -3.320 19.144 7.213 1.00 0.00 N ATOM 0 H LYS A 115 -7.495 13.599 7.101 1.00 0.00 H new ATOM 0 HA LYS A 115 -6.608 15.939 5.635 1.00 0.00 H new ATOM 0 HB2 LYS A 115 -5.380 13.648 7.134 1.00 0.00 H new ATOM 0 HB3 LYS A 115 -4.400 14.421 5.904 1.00 0.00 H new ATOM 0 HG2 LYS A 115 -5.758 15.921 8.171 1.00 0.00 H new ATOM 0 HG3 LYS A 115 -4.106 15.340 8.234 1.00 0.00 H new ATOM 0 HD2 LYS A 115 -3.501 16.722 6.292 1.00 0.00 H new ATOM 0 HD3 LYS A 115 -5.166 17.234 6.100 1.00 0.00 H new ATOM 0 HE2 LYS A 115 -5.136 18.514 8.104 1.00 0.00 H new ATOM 0 HE3 LYS A 115 -3.709 17.699 8.713 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 -3.180 19.907 7.906 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 -2.398 18.739 6.954 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 -3.781 19.528 6.363 1.00 0.00 H new ATOM 1814 N LYS A 116 -5.661 14.910 3.482 1.00 0.00 N ATOM 1815 CA LYS A 116 -5.460 14.414 2.125 1.00 0.00 C ATOM 1816 C LYS A 116 -4.928 12.984 2.143 1.00 0.00 C ATOM 1817 O LYS A 116 -4.160 12.608 3.029 1.00 0.00 O ATOM 1818 CB LYS A 116 -4.489 15.321 1.367 1.00 0.00 C ATOM 1819 CG LYS A 116 -4.236 14.880 -0.064 1.00 0.00 C ATOM 1820 CD LYS A 116 -5.178 15.570 -1.036 1.00 0.00 C ATOM 1821 CE LYS A 116 -4.590 16.876 -1.550 1.00 0.00 C ATOM 1822 NZ LYS A 116 -3.681 16.657 -2.709 1.00 0.00 N ATOM 0 H LYS A 116 -5.216 15.808 3.672 1.00 0.00 H new ATOM 0 HA LYS A 116 -6.424 14.419 1.616 1.00 0.00 H new ATOM 0 HB2 LYS A 116 -4.884 16.337 1.361 1.00 0.00 H new ATOM 0 HB3 LYS A 116 -3.540 15.351 1.902 1.00 0.00 H new ATOM 0 HG2 LYS A 116 -3.204 15.102 -0.337 1.00 0.00 H new ATOM 0 HG3 LYS A 116 -4.361 13.800 -0.140 1.00 0.00 H new ATOM 0 HD2 LYS A 116 -5.385 14.907 -1.876 1.00 0.00 H new ATOM 0 HD3 LYS A 116 -6.130 15.767 -0.544 1.00 0.00 H new ATOM 0 HE2 LYS A 116 -5.397 17.547 -1.843 1.00 0.00 H new ATOM 0 HE3 LYS A 116 -4.042 17.369 -0.747 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 -2.814 17.217 -2.581 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 -3.435 15.648 -2.772 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 -4.158 16.952 -3.585 1.00 0.00 H new ATOM 1836 N VAL A 117 -5.339 12.192 1.158 1.00 0.00 N ATOM 1837 CA VAL A 117 -4.902 10.805 1.059 1.00 0.00 C ATOM 1838 C VAL A 117 -3.381 10.710 1.007 1.00 0.00 C ATOM 1839 O VAL A 117 -2.778 9.879 1.685 1.00 0.00 O ATOM 1840 CB VAL A 117 -5.491 10.118 -0.187 1.00 0.00 C ATOM 1841 CG1 VAL A 117 -5.338 8.608 -0.088 1.00 0.00 C ATOM 1842 CG2 VAL A 117 -6.951 10.503 -0.367 1.00 0.00 C ATOM 0 H VAL A 117 -5.974 12.488 0.417 1.00 0.00 H new ATOM 0 HA VAL A 117 -5.265 10.295 1.951 1.00 0.00 H new ATOM 0 HB VAL A 117 -4.938 10.458 -1.063 1.00 0.00 H new ATOM 0 HG11 VAL A 117 -5.760 8.140 -0.978 1.00 0.00 H new ATOM 0 HG12 VAL A 117 -4.281 8.354 -0.011 1.00 0.00 H new ATOM 0 HG13 VAL A 117 -5.863 8.246 0.796 1.00 0.00 H new ATOM 0 HG21 VAL A 117 -7.351 10.009 -1.252 1.00 0.00 H new ATOM 0 HG22 VAL A 117 -7.520 10.193 0.510 1.00 0.00 H new ATOM 0 HG23 VAL A 117 -7.030 11.583 -0.488 1.00 0.00 H new ATOM 1852 N GLN A 118 -2.768 11.569 0.199 1.00 0.00 N ATOM 1853 CA GLN A 118 -1.316 11.582 0.058 1.00 0.00 C ATOM 1854 C GLN A 118 -0.642 11.826 1.404 1.00 0.00 C ATOM 1855 O GLN A 118 0.445 11.309 1.667 1.00 0.00 O ATOM 1856 CB GLN A 118 -0.889 12.657 -0.942 1.00 0.00 C ATOM 1857 CG GLN A 118 -0.714 14.032 -0.320 1.00 0.00 C ATOM 1858 CD GLN A 118 0.665 14.232 0.276 1.00 0.00 C ATOM 1859 OE1 GLN A 118 0.866 14.057 1.478 1.00 0.00 O ATOM 1860 NE2 GLN A 118 1.625 14.601 -0.564 1.00 0.00 N ATOM 0 H GLN A 118 -3.253 12.265 -0.368 1.00 0.00 H new ATOM 0 HA GLN A 118 -1.003 10.606 -0.314 1.00 0.00 H new ATOM 0 HB2 GLN A 118 0.050 12.356 -1.407 1.00 0.00 H new ATOM 0 HB3 GLN A 118 -1.633 12.719 -1.736 1.00 0.00 H new ATOM 0 HG2 GLN A 118 -0.892 14.795 -1.078 1.00 0.00 H new ATOM 0 HG3 GLN A 118 -1.465 14.173 0.457 1.00 0.00 H new ATOM 0 HE21 GLN A 118 1.414 14.735 -1.553 1.00 0.00 H new ATOM 0 HE22 GLN A 118 2.574 14.751 -0.220 1.00 0.00 H new ATOM 1869 N ILE A 119 -1.292 12.616 2.252 1.00 0.00 N ATOM 1870 CA ILE A 119 -0.754 12.928 3.570 1.00 0.00 C ATOM 1871 C ILE A 119 -0.894 11.740 4.516 1.00 0.00 C ATOM 1872 O ILE A 119 -1.651 11.790 5.485 1.00 0.00 O ATOM 1873 CB ILE A 119 -1.458 14.149 4.191 1.00 0.00 C ATOM 1874 CG1 ILE A 119 -1.367 15.351 3.249 1.00 0.00 C ATOM 1875 CG2 ILE A 119 -0.847 14.482 5.544 1.00 0.00 C ATOM 1876 CD1 ILE A 119 -2.316 16.474 3.607 1.00 0.00 C ATOM 0 H ILE A 119 -2.192 13.052 2.050 1.00 0.00 H new ATOM 0 HA ILE A 119 0.302 13.158 3.433 1.00 0.00 H new ATOM 0 HB ILE A 119 -2.510 13.906 4.340 1.00 0.00 H new ATOM 0 HG12 ILE A 119 -0.346 15.733 3.258 1.00 0.00 H new ATOM 0 HG13 ILE A 119 -1.575 15.021 2.231 1.00 0.00 H new ATOM 0 HG21 ILE A 119 -1.355 15.347 5.970 1.00 0.00 H new ATOM 0 HG22 ILE A 119 -0.959 13.629 6.214 1.00 0.00 H new ATOM 0 HG23 ILE A 119 0.212 14.709 5.419 1.00 0.00 H new ATOM 0 HD11 ILE A 119 -2.196 17.292 2.897 1.00 0.00 H new ATOM 0 HD12 ILE A 119 -3.342 16.109 3.570 1.00 0.00 H new ATOM 0 HD13 ILE A 119 -2.094 16.831 4.613 1.00 0.00 H new ATOM 1888 N SER A 120 -0.157 10.672 4.228 1.00 0.00 N ATOM 1889 CA SER A 120 -0.199 9.469 5.051 1.00 0.00 C ATOM 1890 C SER A 120 1.210 8.973 5.362 1.00 0.00 C ATOM 1891 O SER A 120 2.112 9.073 4.530 1.00 0.00 O ATOM 1892 CB SER A 120 -0.995 8.370 4.345 1.00 0.00 C ATOM 1893 OG SER A 120 -0.811 8.428 2.942 1.00 0.00 O ATOM 0 H SER A 120 0.477 10.615 3.431 1.00 0.00 H new ATOM 0 HA SER A 120 -0.692 9.719 5.990 1.00 0.00 H new ATOM 0 HB2 SER A 120 -0.681 7.394 4.716 1.00 0.00 H new ATOM 0 HB3 SER A 120 -2.054 8.475 4.581 1.00 0.00 H new ATOM 0 HG SER A 120 -1.543 8.939 2.537 1.00 0.00 H new ATOM 1899 N ARG A 121 1.390 8.438 6.565 1.00 0.00 N ATOM 1900 CA ARG A 121 2.689 7.927 6.986 1.00 0.00 C ATOM 1901 C ARG A 121 2.796 6.428 6.720 1.00 0.00 C ATOM 1902 O ARG A 121 1.794 5.760 6.464 1.00 0.00 O ATOM 1903 CB ARG A 121 2.913 8.209 8.473 1.00 0.00 C ATOM 1904 CG ARG A 121 2.748 9.673 8.847 1.00 0.00 C ATOM 1905 CD ARG A 121 3.389 9.980 10.191 1.00 0.00 C ATOM 1906 NE ARG A 121 2.954 11.269 10.724 1.00 0.00 N ATOM 1907 CZ ARG A 121 1.830 11.437 11.412 1.00 0.00 C ATOM 1908 NH1 ARG A 121 1.034 10.405 11.651 1.00 0.00 N ATOM 1909 NH2 ARG A 121 1.502 12.641 11.864 1.00 0.00 N ATOM 0 H ARG A 121 0.654 8.347 7.265 1.00 0.00 H new ATOM 0 HA ARG A 121 3.458 8.437 6.406 1.00 0.00 H new ATOM 0 HB2 ARG A 121 2.212 7.612 9.057 1.00 0.00 H new ATOM 0 HB3 ARG A 121 3.916 7.883 8.749 1.00 0.00 H new ATOM 0 HG2 ARG A 121 3.198 10.299 8.077 1.00 0.00 H new ATOM 0 HG3 ARG A 121 1.688 9.923 8.883 1.00 0.00 H new ATOM 0 HD2 ARG A 121 3.139 9.191 10.901 1.00 0.00 H new ATOM 0 HD3 ARG A 121 4.474 9.980 10.084 1.00 0.00 H new ATOM 0 HE ARG A 121 3.545 12.084 10.559 1.00 0.00 H new ATOM 0 HH11 ARG A 121 1.283 9.478 11.306 1.00 0.00 H new ATOM 0 HH12 ARG A 121 0.172 10.538 12.180 1.00 0.00 H new ATOM 0 HH21 ARG A 121 2.113 13.438 11.683 1.00 0.00 H new ATOM 0 HH22 ARG A 121 0.639 12.770 12.392 1.00 0.00 H new ATOM 1923 N ASP A 122 4.016 5.907 6.782 1.00 0.00 N ATOM 1924 CA ASP A 122 4.255 4.488 6.548 1.00 0.00 C ATOM 1925 C ASP A 122 3.560 3.638 7.608 1.00 0.00 C ATOM 1926 O ASP A 122 3.781 3.819 8.805 1.00 0.00 O ATOM 1927 CB ASP A 122 5.756 4.195 6.545 1.00 0.00 C ATOM 1928 CG ASP A 122 6.435 4.636 7.827 1.00 0.00 C ATOM 1929 OD1 ASP A 122 6.208 5.787 8.252 1.00 0.00 O ATOM 1930 OD2 ASP A 122 7.194 3.829 8.405 1.00 0.00 O ATOM 0 H ASP A 122 4.856 6.447 6.993 1.00 0.00 H new ATOM 0 HA ASP A 122 3.841 4.231 5.573 1.00 0.00 H new ATOM 0 HB2 ASP A 122 5.914 3.126 6.403 1.00 0.00 H new ATOM 0 HB3 ASP A 122 6.220 4.701 5.699 1.00 0.00 H new ATOM 1935 N GLY A 123 2.719 2.712 7.159 1.00 0.00 N ATOM 1936 CA GLY A 123 2.004 1.850 8.082 1.00 0.00 C ATOM 1937 C GLY A 123 0.768 2.513 8.656 1.00 0.00 C ATOM 1938 O GLY A 123 0.457 2.344 9.835 1.00 0.00 O ATOM 0 H GLY A 123 2.520 2.543 6.173 1.00 0.00 H new ATOM 0 HA2 GLY A 123 1.715 0.933 7.568 1.00 0.00 H new ATOM 0 HA3 GLY A 123 2.670 1.563 8.896 1.00 0.00 H new ATOM 1942 N GLN A 124 0.064 3.272 7.823 1.00 0.00 N ATOM 1943 CA GLN A 124 -1.143 3.965 8.256 1.00 0.00 C ATOM 1944 C GLN A 124 -2.385 3.344 7.624 1.00 0.00 C ATOM 1945 O GLN A 124 -2.305 2.708 6.574 1.00 0.00 O ATOM 1946 CB GLN A 124 -1.062 5.449 7.896 1.00 0.00 C ATOM 1947 CG GLN A 124 -0.417 6.303 8.976 1.00 0.00 C ATOM 1948 CD GLN A 124 -1.420 6.824 9.985 1.00 0.00 C ATOM 1949 OE1 GLN A 124 -2.173 7.758 9.705 1.00 0.00 O ATOM 1950 NE2 GLN A 124 -1.437 6.222 11.168 1.00 0.00 N ATOM 0 H GLN A 124 0.309 3.423 6.844 1.00 0.00 H new ATOM 0 HA GLN A 124 -1.220 3.864 9.339 1.00 0.00 H new ATOM 0 HB2 GLN A 124 -0.496 5.560 6.971 1.00 0.00 H new ATOM 0 HB3 GLN A 124 -2.067 5.822 7.701 1.00 0.00 H new ATOM 0 HG2 GLN A 124 0.341 5.716 9.494 1.00 0.00 H new ATOM 0 HG3 GLN A 124 0.095 7.145 8.510 1.00 0.00 H new ATOM 0 HE21 GLN A 124 -0.796 5.452 11.358 1.00 0.00 H new ATOM 0 HE22 GLN A 124 -2.092 6.529 11.887 1.00 0.00 H new ATOM 1959 N GLU A 125 -3.530 3.532 8.272 1.00 0.00 N ATOM 1960 CA GLU A 125 -4.788 2.988 7.773 1.00 0.00 C ATOM 1961 C GLU A 125 -5.430 3.939 6.767 1.00 0.00 C ATOM 1962 O GLU A 125 -5.285 5.158 6.867 1.00 0.00 O ATOM 1963 CB GLU A 125 -5.752 2.727 8.932 1.00 0.00 C ATOM 1964 CG GLU A 125 -5.630 1.332 9.523 1.00 0.00 C ATOM 1965 CD GLU A 125 -5.988 1.289 10.995 1.00 0.00 C ATOM 1966 OE1 GLU A 125 -7.189 1.413 11.317 1.00 0.00 O ATOM 1967 OE2 GLU A 125 -5.069 1.131 11.826 1.00 0.00 O ATOM 0 H GLU A 125 -3.613 4.056 9.143 1.00 0.00 H new ATOM 0 HA GLU A 125 -4.573 2.045 7.270 1.00 0.00 H new ATOM 0 HB2 GLU A 125 -5.571 3.462 9.716 1.00 0.00 H new ATOM 0 HB3 GLU A 125 -6.774 2.877 8.584 1.00 0.00 H new ATOM 0 HG2 GLU A 125 -6.281 0.651 8.975 1.00 0.00 H new ATOM 0 HG3 GLU A 125 -4.609 0.973 9.391 1.00 0.00 H new ATOM 1974 N LEU A 126 -6.141 3.373 5.798 1.00 0.00 N ATOM 1975 CA LEU A 126 -6.806 4.169 4.772 1.00 0.00 C ATOM 1976 C LEU A 126 -8.259 3.737 4.605 1.00 0.00 C ATOM 1977 O LEU A 126 -8.544 2.565 4.365 1.00 0.00 O ATOM 1978 CB LEU A 126 -6.067 4.039 3.439 1.00 0.00 C ATOM 1979 CG LEU A 126 -6.542 4.962 2.316 1.00 0.00 C ATOM 1980 CD1 LEU A 126 -6.168 6.405 2.617 1.00 0.00 C ATOM 1981 CD2 LEU A 126 -5.955 4.524 0.982 1.00 0.00 C ATOM 0 H LEU A 126 -6.272 2.366 5.701 1.00 0.00 H new ATOM 0 HA LEU A 126 -6.790 5.212 5.089 1.00 0.00 H new ATOM 0 HB2 LEU A 126 -5.008 4.228 3.614 1.00 0.00 H new ATOM 0 HB3 LEU A 126 -6.155 3.008 3.097 1.00 0.00 H new ATOM 0 HG LEU A 126 -7.628 4.896 2.252 1.00 0.00 H new ATOM 0 HD11 LEU A 126 -6.514 7.047 1.807 1.00 0.00 H new ATOM 0 HD12 LEU A 126 -6.636 6.715 3.551 1.00 0.00 H new ATOM 0 HD13 LEU A 126 -5.085 6.489 2.709 1.00 0.00 H new ATOM 0 HD21 LEU A 126 -6.304 5.192 0.194 1.00 0.00 H new ATOM 0 HD22 LEU A 126 -4.867 4.561 1.034 1.00 0.00 H new ATOM 0 HD23 LEU A 126 -6.274 3.505 0.761 1.00 0.00 H new ATOM 1993 N GLU A 127 -9.174 4.694 4.732 1.00 0.00 N ATOM 1994 CA GLU A 127 -10.598 4.412 4.594 1.00 0.00 C ATOM 1995 C GLU A 127 -10.880 3.660 3.296 1.00 0.00 C ATOM 1996 O GLU A 127 -10.311 3.952 2.244 1.00 0.00 O ATOM 1997 CB GLU A 127 -11.404 5.712 4.629 1.00 0.00 C ATOM 1998 CG GLU A 127 -12.900 5.496 4.784 1.00 0.00 C ATOM 1999 CD GLU A 127 -13.692 6.782 4.642 1.00 0.00 C ATOM 2000 OE1 GLU A 127 -13.199 7.712 3.970 1.00 0.00 O ATOM 2001 OE2 GLU A 127 -14.805 6.856 5.203 1.00 0.00 O ATOM 0 H GLU A 127 -8.954 5.670 4.930 1.00 0.00 H new ATOM 0 HA GLU A 127 -10.901 3.783 5.431 1.00 0.00 H new ATOM 0 HB2 GLU A 127 -11.047 6.329 5.454 1.00 0.00 H new ATOM 0 HB3 GLU A 127 -11.219 6.269 3.711 1.00 0.00 H new ATOM 0 HG2 GLU A 127 -13.240 4.780 4.036 1.00 0.00 H new ATOM 0 HG3 GLU A 127 -13.101 5.056 5.761 1.00 0.00 H new ATOM 2008 N PRO A 128 -11.780 2.668 3.371 1.00 0.00 N ATOM 2009 CA PRO A 128 -12.158 1.854 2.212 1.00 0.00 C ATOM 2010 C PRO A 128 -12.968 2.642 1.189 1.00 0.00 C ATOM 2011 O PRO A 128 -12.830 2.436 -0.016 1.00 0.00 O ATOM 2012 CB PRO A 128 -13.011 0.740 2.825 1.00 0.00 C ATOM 2013 CG PRO A 128 -13.555 1.327 4.082 1.00 0.00 C ATOM 2014 CD PRO A 128 -12.497 2.265 4.592 1.00 0.00 C ATOM 0 HA PRO A 128 -11.286 1.492 1.666 1.00 0.00 H new ATOM 0 HB2 PRO A 128 -13.812 0.438 2.150 1.00 0.00 H new ATOM 0 HB3 PRO A 128 -12.414 -0.149 3.029 1.00 0.00 H new ATOM 0 HG2 PRO A 128 -14.488 1.857 3.893 1.00 0.00 H new ATOM 0 HG3 PRO A 128 -13.773 0.549 4.814 1.00 0.00 H new ATOM 0 HD2 PRO A 128 -12.933 3.123 5.103 1.00 0.00 H new ATOM 0 HD3 PRO A 128 -11.834 1.774 5.304 1.00 0.00 H new ATOM 2022 N GLN A 129 -13.811 3.546 1.678 1.00 0.00 N ATOM 2023 CA GLN A 129 -14.643 4.365 0.804 1.00 0.00 C ATOM 2024 C GLN A 129 -13.783 5.227 -0.114 1.00 0.00 C ATOM 2025 O GLN A 129 -14.107 5.418 -1.287 1.00 0.00 O ATOM 2026 CB GLN A 129 -15.571 5.253 1.634 1.00 0.00 C ATOM 2027 CG GLN A 129 -16.901 4.597 1.969 1.00 0.00 C ATOM 2028 CD GLN A 129 -17.521 5.149 3.238 1.00 0.00 C ATOM 2029 OE1 GLN A 129 -17.830 4.403 4.167 1.00 0.00 O ATOM 2030 NE2 GLN A 129 -17.707 6.463 3.283 1.00 0.00 N ATOM 0 H GLN A 129 -13.936 3.730 2.674 1.00 0.00 H new ATOM 0 HA GLN A 129 -15.245 3.698 0.187 1.00 0.00 H new ATOM 0 HB2 GLN A 129 -15.066 5.526 2.561 1.00 0.00 H new ATOM 0 HB3 GLN A 129 -15.759 6.178 1.089 1.00 0.00 H new ATOM 0 HG2 GLN A 129 -17.592 4.742 1.139 1.00 0.00 H new ATOM 0 HG3 GLN A 129 -16.754 3.522 2.078 1.00 0.00 H new ATOM 0 HE21 GLN A 129 -17.436 7.044 2.490 1.00 0.00 H new ATOM 0 HE22 GLN A 129 -18.121 6.891 4.111 1.00 0.00 H new ATOM 2039 N VAL A 130 -12.685 5.747 0.426 1.00 0.00 N ATOM 2040 CA VAL A 130 -11.778 6.589 -0.345 1.00 0.00 C ATOM 2041 C VAL A 130 -10.646 5.766 -0.950 1.00 0.00 C ATOM 2042 O VAL A 130 -10.101 6.116 -1.995 1.00 0.00 O ATOM 2043 CB VAL A 130 -11.177 7.709 0.524 1.00 0.00 C ATOM 2044 CG1 VAL A 130 -12.277 8.485 1.233 1.00 0.00 C ATOM 2045 CG2 VAL A 130 -10.188 7.133 1.527 1.00 0.00 C ATOM 0 H VAL A 130 -12.402 5.600 1.395 1.00 0.00 H new ATOM 0 HA VAL A 130 -12.366 7.037 -1.146 1.00 0.00 H new ATOM 0 HB VAL A 130 -10.640 8.400 -0.126 1.00 0.00 H new ATOM 0 HG11 VAL A 130 -11.832 9.272 1.842 1.00 0.00 H new ATOM 0 HG12 VAL A 130 -12.942 8.931 0.494 1.00 0.00 H new ATOM 0 HG13 VAL A 130 -12.845 7.809 1.872 1.00 0.00 H new ATOM 0 HG21 VAL A 130 -9.773 7.939 2.133 1.00 0.00 H new ATOM 0 HG22 VAL A 130 -10.699 6.419 2.173 1.00 0.00 H new ATOM 0 HG23 VAL A 130 -9.382 6.628 0.994 1.00 0.00 H new ATOM 2055 N GLY A 131 -10.297 4.669 -0.284 1.00 0.00 N ATOM 2056 CA GLY A 131 -9.232 3.813 -0.771 1.00 0.00 C ATOM 2057 C GLY A 131 -9.607 3.090 -2.049 1.00 0.00 C ATOM 2058 O GLY A 131 -8.782 2.938 -2.948 1.00 0.00 O ATOM 0 H GLY A 131 -10.733 4.358 0.584 1.00 0.00 H new ATOM 0 HA2 GLY A 131 -8.339 4.413 -0.946 1.00 0.00 H new ATOM 0 HA3 GLY A 131 -8.979 3.081 -0.004 1.00 0.00 H new ATOM 2062 N GLU A 132 -10.856 2.641 -2.127 1.00 0.00 N ATOM 2063 CA GLU A 132 -11.338 1.927 -3.304 1.00 0.00 C ATOM 2064 C GLU A 132 -11.392 2.851 -4.517 1.00 0.00 C ATOM 2065 O GLU A 132 -10.897 2.512 -5.591 1.00 0.00 O ATOM 2066 CB GLU A 132 -12.724 1.335 -3.038 1.00 0.00 C ATOM 2067 CG GLU A 132 -13.853 2.341 -3.185 1.00 0.00 C ATOM 2068 CD GLU A 132 -15.213 1.737 -2.892 1.00 0.00 C ATOM 2069 OE1 GLU A 132 -15.313 0.938 -1.937 1.00 0.00 O ATOM 2070 OE2 GLU A 132 -16.177 2.064 -3.616 1.00 0.00 O ATOM 0 H GLU A 132 -11.552 2.759 -1.390 1.00 0.00 H new ATOM 0 HA GLU A 132 -10.640 1.117 -3.516 1.00 0.00 H new ATOM 0 HB2 GLU A 132 -12.894 0.507 -3.726 1.00 0.00 H new ATOM 0 HB3 GLU A 132 -12.746 0.921 -2.030 1.00 0.00 H new ATOM 0 HG2 GLU A 132 -13.678 3.179 -2.510 1.00 0.00 H new ATOM 0 HG3 GLU A 132 -13.848 2.742 -4.199 1.00 0.00 H new ATOM 2077 N GLN A 133 -11.997 4.021 -4.336 1.00 0.00 N ATOM 2078 CA GLN A 133 -12.118 4.994 -5.415 1.00 0.00 C ATOM 2079 C GLN A 133 -10.762 5.607 -5.749 1.00 0.00 C ATOM 2080 O GLN A 133 -10.612 6.298 -6.757 1.00 0.00 O ATOM 2081 CB GLN A 133 -13.107 6.095 -5.030 1.00 0.00 C ATOM 2082 CG GLN A 133 -12.740 6.821 -3.746 1.00 0.00 C ATOM 2083 CD GLN A 133 -13.792 7.828 -3.324 1.00 0.00 C ATOM 2084 OE1 GLN A 133 -13.422 8.726 -2.418 1.00 0.00 O flip ATOM 2085 NE2 GLN A 133 -14.924 7.800 -3.807 1.00 0.00 N flip ATOM 0 H GLN A 133 -12.411 4.318 -3.452 1.00 0.00 H new ATOM 0 HA GLN A 133 -12.490 4.475 -6.298 1.00 0.00 H new ATOM 0 HB2 GLN A 133 -13.166 6.819 -5.843 1.00 0.00 H new ATOM 0 HB3 GLN A 133 -14.099 5.658 -4.919 1.00 0.00 H new ATOM 0 HG2 GLN A 133 -12.600 6.092 -2.948 1.00 0.00 H new ATOM 0 HG3 GLN A 133 -11.787 7.332 -3.882 1.00 0.00 H new ATOM 0 HE21 GLN A 133 -15.165 7.092 -4.501 1.00 0.00 H new ATOM 0 HE22 GLN A 133 -15.621 8.485 -3.514 1.00 0.00 H new ATOM 2094 N LEU A 134 -9.776 5.350 -4.896 1.00 0.00 N ATOM 2095 CA LEU A 134 -8.431 5.877 -5.100 1.00 0.00 C ATOM 2096 C LEU A 134 -7.676 5.056 -6.141 1.00 0.00 C ATOM 2097 O LEU A 134 -6.827 5.580 -6.863 1.00 0.00 O ATOM 2098 CB LEU A 134 -7.658 5.883 -3.780 1.00 0.00 C ATOM 2099 CG LEU A 134 -6.142 6.050 -3.890 1.00 0.00 C ATOM 2100 CD1 LEU A 134 -5.788 7.492 -4.218 1.00 0.00 C ATOM 2101 CD2 LEU A 134 -5.462 5.612 -2.601 1.00 0.00 C ATOM 0 H LEU A 134 -9.883 4.780 -4.057 1.00 0.00 H new ATOM 0 HA LEU A 134 -8.520 6.900 -5.466 1.00 0.00 H new ATOM 0 HB2 LEU A 134 -8.048 6.688 -3.158 1.00 0.00 H new ATOM 0 HB3 LEU A 134 -7.863 4.949 -3.258 1.00 0.00 H new ATOM 0 HG LEU A 134 -5.783 5.415 -4.700 1.00 0.00 H new ATOM 0 HD11 LEU A 134 -4.705 7.593 -4.293 1.00 0.00 H new ATOM 0 HD12 LEU A 134 -6.245 7.772 -5.167 1.00 0.00 H new ATOM 0 HD13 LEU A 134 -6.160 8.146 -3.430 1.00 0.00 H new ATOM 0 HD21 LEU A 134 -4.384 5.738 -2.698 1.00 0.00 H new ATOM 0 HD22 LEU A 134 -5.826 6.220 -1.773 1.00 0.00 H new ATOM 0 HD23 LEU A 134 -5.689 4.564 -2.408 1.00 0.00 H new ATOM 2113 N LEU A 135 -7.993 3.768 -6.214 1.00 0.00 N ATOM 2114 CA LEU A 135 -7.347 2.874 -7.168 1.00 0.00 C ATOM 2115 C LEU A 135 -7.916 3.071 -8.570 1.00 0.00 C ATOM 2116 O LEU A 135 -7.171 3.221 -9.537 1.00 0.00 O ATOM 2117 CB LEU A 135 -7.523 1.419 -6.733 1.00 0.00 C ATOM 2118 CG LEU A 135 -7.072 1.084 -5.311 1.00 0.00 C ATOM 2119 CD1 LEU A 135 -7.105 -0.419 -5.080 1.00 0.00 C ATOM 2120 CD2 LEU A 135 -5.677 1.634 -5.051 1.00 0.00 C ATOM 0 H LEU A 135 -8.694 3.319 -5.624 1.00 0.00 H new ATOM 0 HA LEU A 135 -6.284 3.113 -7.191 1.00 0.00 H new ATOM 0 HB2 LEU A 135 -8.577 1.157 -6.830 1.00 0.00 H new ATOM 0 HB3 LEU A 135 -6.972 0.784 -7.427 1.00 0.00 H new ATOM 0 HG LEU A 135 -7.763 1.554 -4.611 1.00 0.00 H new ATOM 0 HD11 LEU A 135 -6.781 -0.638 -4.063 1.00 0.00 H new ATOM 0 HD12 LEU A 135 -8.121 -0.787 -5.224 1.00 0.00 H new ATOM 0 HD13 LEU A 135 -6.437 -0.911 -5.787 1.00 0.00 H new ATOM 0 HD21 LEU A 135 -5.372 1.386 -4.034 1.00 0.00 H new ATOM 0 HD22 LEU A 135 -4.974 1.193 -5.758 1.00 0.00 H new ATOM 0 HD23 LEU A 135 -5.684 2.717 -5.174 1.00 0.00 H new ATOM 2132 N GLN A 136 -9.242 3.071 -8.670 1.00 0.00 N ATOM 2133 CA GLN A 136 -9.911 3.250 -9.953 1.00 0.00 C ATOM 2134 C GLN A 136 -9.266 4.380 -10.749 1.00 0.00 C ATOM 2135 O GLN A 136 -9.323 4.398 -11.980 1.00 0.00 O ATOM 2136 CB GLN A 136 -11.397 3.543 -9.741 1.00 0.00 C ATOM 2137 CG GLN A 136 -11.660 4.695 -8.785 1.00 0.00 C ATOM 2138 CD GLN A 136 -13.138 4.935 -8.553 1.00 0.00 C ATOM 2139 OE1 GLN A 136 -13.849 4.065 -8.050 1.00 0.00 O ATOM 2140 NE2 GLN A 136 -13.610 6.122 -8.919 1.00 0.00 N ATOM 0 H GLN A 136 -9.873 2.949 -7.878 1.00 0.00 H new ATOM 0 HA GLN A 136 -9.808 2.325 -10.520 1.00 0.00 H new ATOM 0 HB2 GLN A 136 -11.855 3.769 -10.704 1.00 0.00 H new ATOM 0 HB3 GLN A 136 -11.885 2.646 -9.359 1.00 0.00 H new ATOM 0 HG2 GLN A 136 -11.175 4.488 -7.831 1.00 0.00 H new ATOM 0 HG3 GLN A 136 -11.206 5.603 -9.183 1.00 0.00 H new ATOM 0 HE21 GLN A 136 -12.985 6.814 -9.332 1.00 0.00 H new ATOM 0 HE22 GLN A 136 -14.597 6.341 -8.787 1.00 0.00 H new ATOM 2149 N LEU A 137 -8.655 5.322 -10.040 1.00 0.00 N ATOM 2150 CA LEU A 137 -7.999 6.458 -10.681 1.00 0.00 C ATOM 2151 C LEU A 137 -6.973 5.986 -11.706 1.00 0.00 C ATOM 2152 O LEU A 137 -6.878 6.537 -12.803 1.00 0.00 O ATOM 2153 CB LEU A 137 -7.321 7.339 -9.631 1.00 0.00 C ATOM 2154 CG LEU A 137 -8.253 8.166 -8.745 1.00 0.00 C ATOM 2155 CD1 LEU A 137 -7.495 8.730 -7.553 1.00 0.00 C ATOM 2156 CD2 LEU A 137 -8.897 9.287 -9.549 1.00 0.00 C ATOM 0 H LEU A 137 -8.600 5.323 -9.022 1.00 0.00 H new ATOM 0 HA LEU A 137 -8.760 7.042 -11.199 1.00 0.00 H new ATOM 0 HB2 LEU A 137 -6.713 6.702 -8.989 1.00 0.00 H new ATOM 0 HB3 LEU A 137 -6.640 8.019 -10.142 1.00 0.00 H new ATOM 0 HG LEU A 137 -9.042 7.513 -8.372 1.00 0.00 H new ATOM 0 HD11 LEU A 137 -8.174 9.316 -6.934 1.00 0.00 H new ATOM 0 HD12 LEU A 137 -7.082 7.911 -6.964 1.00 0.00 H new ATOM 0 HD13 LEU A 137 -6.685 9.368 -7.906 1.00 0.00 H new ATOM 0 HD21 LEU A 137 -9.557 9.865 -8.903 1.00 0.00 H new ATOM 0 HD22 LEU A 137 -8.121 9.938 -9.951 1.00 0.00 H new ATOM 0 HD23 LEU A 137 -9.475 8.861 -10.369 1.00 0.00 H new ATOM 2168 N TRP A 138 -6.208 4.963 -11.342 1.00 0.00 N ATOM 2169 CA TRP A 138 -5.190 4.416 -12.231 1.00 0.00 C ATOM 2170 C TRP A 138 -5.772 4.122 -13.610 1.00 0.00 C ATOM 2171 O TRP A 138 -5.089 4.262 -14.624 1.00 0.00 O ATOM 2172 CB TRP A 138 -4.593 3.141 -11.634 1.00 0.00 C ATOM 2173 CG TRP A 138 -3.357 3.387 -10.822 1.00 0.00 C ATOM 2174 CD1 TRP A 138 -2.063 3.244 -11.236 1.00 0.00 C ATOM 2175 CD2 TRP A 138 -3.299 3.818 -9.458 1.00 0.00 C ATOM 2176 NE1 TRP A 138 -1.204 3.560 -10.211 1.00 0.00 N ATOM 2177 CE2 TRP A 138 -1.937 3.916 -9.110 1.00 0.00 C ATOM 2178 CE3 TRP A 138 -4.264 4.133 -8.498 1.00 0.00 C ATOM 2179 CZ2 TRP A 138 -1.520 4.314 -7.843 1.00 0.00 C ATOM 2180 CZ3 TRP A 138 -3.848 4.527 -7.241 1.00 0.00 C ATOM 2181 CH2 TRP A 138 -2.487 4.616 -6.922 1.00 0.00 C ATOM 0 H TRP A 138 -6.273 4.496 -10.438 1.00 0.00 H new ATOM 0 HA TRP A 138 -4.402 5.161 -12.341 1.00 0.00 H new ATOM 0 HB2 TRP A 138 -5.341 2.658 -11.006 1.00 0.00 H new ATOM 0 HB3 TRP A 138 -4.357 2.447 -12.440 1.00 0.00 H new ATOM 0 HD1 TRP A 138 -1.760 2.929 -12.224 1.00 0.00 H new ATOM 0 HE1 TRP A 138 -0.186 3.534 -10.262 1.00 0.00 H new ATOM 0 HE3 TRP A 138 -5.316 4.070 -8.734 1.00 0.00 H new ATOM 0 HZ2 TRP A 138 -0.471 4.382 -7.595 1.00 0.00 H new ATOM 0 HZ3 TRP A 138 -4.586 4.771 -6.491 1.00 0.00 H new ATOM 0 HH2 TRP A 138 -2.195 4.929 -5.930 1.00 0.00 H new ATOM 2192 N GLU A 139 -7.037 3.715 -13.639 1.00 0.00 N ATOM 2193 CA GLU A 139 -7.709 3.401 -14.894 1.00 0.00 C ATOM 2194 C GLU A 139 -7.915 4.660 -15.731 1.00 0.00 C ATOM 2195 O GLU A 139 -7.916 4.608 -16.961 1.00 0.00 O ATOM 2196 CB GLU A 139 -9.057 2.730 -14.623 1.00 0.00 C ATOM 2197 CG GLU A 139 -8.937 1.282 -14.178 1.00 0.00 C ATOM 2198 CD GLU A 139 -8.932 0.312 -15.344 1.00 0.00 C ATOM 2199 OE1 GLU A 139 -9.872 0.365 -16.165 1.00 0.00 O ATOM 2200 OE2 GLU A 139 -7.988 -0.500 -15.435 1.00 0.00 O ATOM 0 H GLU A 139 -7.617 3.595 -12.808 1.00 0.00 H new ATOM 0 HA GLU A 139 -7.075 2.713 -15.453 1.00 0.00 H new ATOM 0 HB2 GLU A 139 -9.587 3.295 -13.856 1.00 0.00 H new ATOM 0 HB3 GLU A 139 -9.664 2.774 -15.527 1.00 0.00 H new ATOM 0 HG2 GLU A 139 -8.020 1.157 -13.603 1.00 0.00 H new ATOM 0 HG3 GLU A 139 -9.766 1.040 -13.513 1.00 0.00 H new ATOM 2207 N ARG A 140 -8.089 5.791 -15.054 1.00 0.00 N ATOM 2208 CA ARG A 140 -8.297 7.063 -15.734 1.00 0.00 C ATOM 2209 C ARG A 140 -7.050 7.476 -16.511 1.00 0.00 C ATOM 2210 O ARG A 140 -7.093 8.390 -17.335 1.00 0.00 O ATOM 2211 CB ARG A 140 -8.665 8.152 -14.724 1.00 0.00 C ATOM 2212 CG ARG A 140 -9.893 7.820 -13.892 1.00 0.00 C ATOM 2213 CD ARG A 140 -10.620 9.079 -13.446 1.00 0.00 C ATOM 2214 NE ARG A 140 -11.369 9.694 -14.538 1.00 0.00 N ATOM 2215 CZ ARG A 140 -12.212 10.708 -14.372 1.00 0.00 C ATOM 2216 NH1 ARG A 140 -12.411 11.218 -13.164 1.00 0.00 N ATOM 2217 NH2 ARG A 140 -12.857 11.214 -15.415 1.00 0.00 N ATOM 0 H ARG A 140 -8.090 5.852 -14.036 1.00 0.00 H new ATOM 0 HA ARG A 140 -9.119 6.938 -16.439 1.00 0.00 H new ATOM 0 HB2 ARG A 140 -7.819 8.319 -14.057 1.00 0.00 H new ATOM 0 HB3 ARG A 140 -8.839 9.087 -15.257 1.00 0.00 H new ATOM 0 HG2 ARG A 140 -10.570 7.194 -14.474 1.00 0.00 H new ATOM 0 HG3 ARG A 140 -9.596 7.241 -13.018 1.00 0.00 H new ATOM 0 HD2 ARG A 140 -11.302 8.835 -12.631 1.00 0.00 H new ATOM 0 HD3 ARG A 140 -9.898 9.795 -13.053 1.00 0.00 H new ATOM 0 HE ARG A 140 -11.238 9.325 -15.480 1.00 0.00 H new ATOM 0 HH11 ARG A 140 -11.917 10.832 -12.360 1.00 0.00 H new ATOM 0 HH12 ARG A 140 -13.058 11.996 -13.039 1.00 0.00 H new ATOM 0 HH21 ARG A 140 -12.706 10.825 -16.346 1.00 0.00 H new ATOM 0 HH22 ARG A 140 -13.504 11.992 -15.286 1.00 0.00 H new ATOM 2231 N LEU A 141 -5.940 6.797 -16.241 1.00 0.00 N ATOM 2232 CA LEU A 141 -4.680 7.092 -16.914 1.00 0.00 C ATOM 2233 C LEU A 141 -4.642 6.459 -18.301 1.00 0.00 C ATOM 2234 O LEU A 141 -4.488 7.152 -19.307 1.00 0.00 O ATOM 2235 CB LEU A 141 -3.502 6.588 -16.078 1.00 0.00 C ATOM 2236 CG LEU A 141 -3.587 6.848 -14.574 1.00 0.00 C ATOM 2237 CD1 LEU A 141 -2.545 6.027 -13.830 1.00 0.00 C ATOM 2238 CD2 LEU A 141 -3.410 8.331 -14.278 1.00 0.00 C ATOM 0 H LEU A 141 -5.887 6.039 -15.561 1.00 0.00 H new ATOM 0 HA LEU A 141 -4.601 8.173 -17.026 1.00 0.00 H new ATOM 0 HB2 LEU A 141 -3.403 5.514 -16.236 1.00 0.00 H new ATOM 0 HB3 LEU A 141 -2.590 7.051 -16.456 1.00 0.00 H new ATOM 0 HG LEU A 141 -4.575 6.544 -14.228 1.00 0.00 H new ATOM 0 HD11 LEU A 141 -2.621 6.225 -12.761 1.00 0.00 H new ATOM 0 HD12 LEU A 141 -2.717 4.967 -14.015 1.00 0.00 H new ATOM 0 HD13 LEU A 141 -1.549 6.300 -14.180 1.00 0.00 H new ATOM 0 HD21 LEU A 141 -3.473 8.497 -13.203 1.00 0.00 H new ATOM 0 HD22 LEU A 141 -2.436 8.660 -14.639 1.00 0.00 H new ATOM 0 HD23 LEU A 141 -4.194 8.898 -14.780 1.00 0.00 H new TER 2250 LEU A 141