USER MOD reduce.3.24.130724 H: found=0, std=0, add=607, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 603 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 44 GLN : amide:sc= -0.179 K(o=-3,f=-4.7!) USER MOD Set 1.2: A 46 HIS : no HD1:sc= -2.78! X(o=-3!,f=-3.1) USER MOD Single : A 1 GLY N :NH3+ -125:sc= 0.113 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 9 ASN : amide:sc= -0.498 X(o=-0.5,f=-0.4) USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot 180:sc= -0.11 USER MOD Single : A 17 THR OG1 : rot 60:sc= 0.892 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 THR OG1 : rot 118:sc= 0.156 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 THR OG1 : rot 180:sc= -0.0287 USER MOD Single : A 28 GLN : amide:sc= -6.83! C(o=-6.8!,f=-9.6!) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ -122:sc= -0.3 (180deg=-3.79!) USER MOD Single : A 32 MET CE :methyl -168:sc= -0.0481 (180deg=-0.52) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 GLN : amide:sc= -0.013 X(o=-0.013,f=-0.11) USER MOD Single : A 55 CYS SG : rot 109:sc= -0.586 USER MOD Single : A 58 THR OG1 : rot -162:sc= 1.15 USER MOD Single : A 63 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 MET CE :methyl -175:sc= -4.14 (180deg=-4.39!) USER MOD Single : A 70 HIS : no HD1:sc= 0 X(o=0,f=-0.21) USER MOD Single : A 71 ASN : amide:sc= 0.0335 X(o=0.034,f=0) USER MOD Single : A 72 ASN : amide:sc= 0.855 K(o=0.85,f=-0.72) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 ASN :FLIP amide:sc= -0.405 F(o=-2,f=-0.41) USER MOD Single : A 75 SER OG : rot 51:sc= 0.197 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 79 SER OG : rot 23:sc= 1.37 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 23.791 -17.581 4.070 1.00 0.00 N ATOM 2 CA GLY A 1 23.833 -16.679 2.932 1.00 0.00 C ATOM 3 C GLY A 1 24.096 -15.240 3.382 1.00 0.00 C ATOM 4 O GLY A 1 24.404 -14.997 4.548 1.00 0.00 O ATOM 0 H1 GLY A 1 24.474 -18.352 3.927 1.00 0.00 H new ATOM 0 H2 GLY A 1 24.034 -17.059 4.936 1.00 0.00 H new ATOM 0 H3 GLY A 1 22.835 -17.979 4.162 1.00 0.00 H new ATOM 0 HA2 GLY A 1 24.614 -16.996 2.241 1.00 0.00 H new ATOM 0 HA3 GLY A 1 22.889 -16.727 2.390 1.00 0.00 H new ATOM 8 N SER A 2 23.966 -14.324 2.434 1.00 0.00 N ATOM 9 CA SER A 2 24.186 -12.916 2.718 1.00 0.00 C ATOM 10 C SER A 2 25.655 -12.678 3.075 1.00 0.00 C ATOM 11 O SER A 2 26.003 -12.579 4.251 1.00 0.00 O ATOM 12 CB SER A 2 23.279 -12.435 3.852 1.00 0.00 C ATOM 13 OG SER A 2 23.236 -11.013 3.934 1.00 0.00 O ATOM 0 H SER A 2 23.711 -14.529 1.468 1.00 0.00 H new ATOM 0 HA SER A 2 23.939 -12.343 1.824 1.00 0.00 H new ATOM 0 HB2 SER A 2 22.271 -12.820 3.698 1.00 0.00 H new ATOM 0 HB3 SER A 2 23.635 -12.842 4.798 1.00 0.00 H new ATOM 0 HG SER A 2 22.645 -10.745 4.669 1.00 0.00 H new ATOM 19 N SER A 3 26.476 -12.592 2.039 1.00 0.00 N ATOM 20 CA SER A 3 27.899 -12.367 2.229 1.00 0.00 C ATOM 21 C SER A 3 28.573 -12.113 0.880 1.00 0.00 C ATOM 22 O SER A 3 28.263 -12.777 -0.108 1.00 0.00 O ATOM 23 CB SER A 3 28.555 -13.555 2.935 1.00 0.00 C ATOM 24 OG SER A 3 29.669 -13.156 3.729 1.00 0.00 O ATOM 0 H SER A 3 26.183 -12.674 1.065 1.00 0.00 H new ATOM 0 HA SER A 3 28.025 -11.489 2.862 1.00 0.00 H new ATOM 0 HB2 SER A 3 27.819 -14.052 3.567 1.00 0.00 H new ATOM 0 HB3 SER A 3 28.881 -14.283 2.192 1.00 0.00 H new ATOM 0 HG SER A 3 30.059 -13.943 4.164 1.00 0.00 H new ATOM 30 N GLY A 4 29.484 -11.150 0.881 1.00 0.00 N ATOM 31 CA GLY A 4 30.205 -10.800 -0.331 1.00 0.00 C ATOM 32 C GLY A 4 30.736 -9.368 -0.259 1.00 0.00 C ATOM 33 O GLY A 4 30.293 -8.579 0.575 1.00 0.00 O ATOM 0 H GLY A 4 29.739 -10.601 1.702 1.00 0.00 H new ATOM 0 HA2 GLY A 4 31.034 -11.492 -0.478 1.00 0.00 H new ATOM 0 HA3 GLY A 4 29.546 -10.904 -1.193 1.00 0.00 H new ATOM 37 N SER A 5 31.678 -9.075 -1.143 1.00 0.00 N ATOM 38 CA SER A 5 32.275 -7.751 -1.190 1.00 0.00 C ATOM 39 C SER A 5 32.783 -7.455 -2.602 1.00 0.00 C ATOM 40 O SER A 5 33.188 -8.366 -3.324 1.00 0.00 O ATOM 41 CB SER A 5 33.417 -7.625 -0.178 1.00 0.00 C ATOM 42 OG SER A 5 34.616 -8.232 -0.649 1.00 0.00 O ATOM 0 H SER A 5 32.043 -9.732 -1.833 1.00 0.00 H new ATOM 0 HA SER A 5 31.509 -7.022 -0.926 1.00 0.00 H new ATOM 0 HB2 SER A 5 33.602 -6.571 0.031 1.00 0.00 H new ATOM 0 HB3 SER A 5 33.121 -8.089 0.763 1.00 0.00 H new ATOM 0 HG SER A 5 35.321 -8.129 0.024 1.00 0.00 H new ATOM 48 N SER A 6 32.745 -6.179 -2.955 1.00 0.00 N ATOM 49 CA SER A 6 33.196 -5.752 -4.269 1.00 0.00 C ATOM 50 C SER A 6 32.246 -6.281 -5.346 1.00 0.00 C ATOM 51 O SER A 6 31.501 -5.513 -5.953 1.00 0.00 O ATOM 52 CB SER A 6 34.625 -6.226 -4.542 1.00 0.00 C ATOM 53 OG SER A 6 35.565 -5.158 -4.471 1.00 0.00 O ATOM 0 H SER A 6 32.409 -5.426 -2.354 1.00 0.00 H new ATOM 0 HA SER A 6 33.193 -4.662 -4.294 1.00 0.00 H new ATOM 0 HB2 SER A 6 34.896 -6.996 -3.819 1.00 0.00 H new ATOM 0 HB3 SER A 6 34.672 -6.685 -5.529 1.00 0.00 H new ATOM 0 HG SER A 6 36.465 -5.502 -4.649 1.00 0.00 H new ATOM 59 N GLY A 7 32.304 -7.588 -5.550 1.00 0.00 N ATOM 60 CA GLY A 7 31.459 -8.229 -6.543 1.00 0.00 C ATOM 61 C GLY A 7 29.978 -8.029 -6.213 1.00 0.00 C ATOM 62 O GLY A 7 29.627 -7.154 -5.424 1.00 0.00 O ATOM 0 H GLY A 7 32.923 -8.221 -5.044 1.00 0.00 H new ATOM 0 HA2 GLY A 7 31.674 -7.818 -7.529 1.00 0.00 H new ATOM 0 HA3 GLY A 7 31.685 -9.294 -6.585 1.00 0.00 H new ATOM 66 N SER A 8 29.150 -8.856 -6.834 1.00 0.00 N ATOM 67 CA SER A 8 27.715 -8.782 -6.616 1.00 0.00 C ATOM 68 C SER A 8 27.200 -7.392 -6.994 1.00 0.00 C ATOM 69 O SER A 8 26.976 -6.551 -6.124 1.00 0.00 O ATOM 70 CB SER A 8 27.361 -9.103 -5.163 1.00 0.00 C ATOM 71 OG SER A 8 26.127 -9.806 -5.056 1.00 0.00 O ATOM 0 H SER A 8 29.445 -9.581 -7.488 1.00 0.00 H new ATOM 0 HA SER A 8 27.234 -9.526 -7.251 1.00 0.00 H new ATOM 0 HB2 SER A 8 28.158 -9.700 -4.719 1.00 0.00 H new ATOM 0 HB3 SER A 8 27.301 -8.177 -4.592 1.00 0.00 H new ATOM 0 HG SER A 8 25.938 -9.993 -4.113 1.00 0.00 H new ATOM 77 N ASN A 9 27.027 -7.192 -8.292 1.00 0.00 N ATOM 78 CA ASN A 9 26.542 -5.918 -8.795 1.00 0.00 C ATOM 79 C ASN A 9 25.394 -6.166 -9.776 1.00 0.00 C ATOM 80 O ASN A 9 25.495 -7.023 -10.652 1.00 0.00 O ATOM 81 CB ASN A 9 27.646 -5.164 -9.540 1.00 0.00 C ATOM 82 CG ASN A 9 27.134 -3.821 -10.065 1.00 0.00 C ATOM 83 OD1 ASN A 9 26.671 -3.700 -11.187 1.00 0.00 O ATOM 84 ND2 ASN A 9 27.243 -2.823 -9.193 1.00 0.00 N ATOM 0 H ASN A 9 27.214 -7.891 -9.011 1.00 0.00 H new ATOM 0 HA ASN A 9 26.210 -5.323 -7.944 1.00 0.00 H new ATOM 0 HB2 ASN A 9 28.492 -4.999 -8.873 1.00 0.00 H new ATOM 0 HB3 ASN A 9 28.008 -5.769 -10.371 1.00 0.00 H new ATOM 0 HD21 ASN A 9 26.929 -1.887 -9.448 1.00 0.00 H new ATOM 0 HD22 ASN A 9 27.641 -2.994 -8.269 1.00 0.00 H new ATOM 91 N PRO A 10 24.300 -5.379 -9.592 1.00 0.00 N ATOM 92 CA PRO A 10 23.135 -5.504 -10.450 1.00 0.00 C ATOM 93 C PRO A 10 23.395 -4.880 -11.823 1.00 0.00 C ATOM 94 O PRO A 10 23.616 -3.675 -11.929 1.00 0.00 O ATOM 95 CB PRO A 10 22.011 -4.819 -9.690 1.00 0.00 C ATOM 96 CG PRO A 10 22.687 -3.935 -8.654 1.00 0.00 C ATOM 97 CD PRO A 10 24.145 -4.353 -8.565 1.00 0.00 C ATOM 0 HA PRO A 10 22.879 -6.542 -10.663 1.00 0.00 H new ATOM 0 HB2 PRO A 10 21.389 -4.228 -10.362 1.00 0.00 H new ATOM 0 HB3 PRO A 10 21.359 -5.551 -9.213 1.00 0.00 H new ATOM 0 HG2 PRO A 10 22.607 -2.885 -8.937 1.00 0.00 H new ATOM 0 HG3 PRO A 10 22.200 -4.041 -7.685 1.00 0.00 H new ATOM 0 HD2 PRO A 10 24.811 -3.509 -8.745 1.00 0.00 H new ATOM 0 HD3 PRO A 10 24.385 -4.743 -7.576 1.00 0.00 H new ATOM 105 N SER A 11 23.360 -5.729 -12.839 1.00 0.00 N ATOM 106 CA SER A 11 23.589 -5.276 -14.201 1.00 0.00 C ATOM 107 C SER A 11 22.340 -4.571 -14.735 1.00 0.00 C ATOM 108 O SER A 11 21.268 -4.663 -14.139 1.00 0.00 O ATOM 109 CB SER A 11 23.970 -6.443 -15.113 1.00 0.00 C ATOM 110 OG SER A 11 24.994 -6.086 -16.037 1.00 0.00 O ATOM 0 H SER A 11 23.177 -6.728 -12.747 1.00 0.00 H new ATOM 0 HA SER A 11 24.420 -4.571 -14.192 1.00 0.00 H new ATOM 0 HB2 SER A 11 24.307 -7.283 -14.505 1.00 0.00 H new ATOM 0 HB3 SER A 11 23.089 -6.778 -15.660 1.00 0.00 H new ATOM 0 HG SER A 11 25.210 -6.858 -16.600 1.00 0.00 H new ATOM 116 N SER A 12 22.521 -3.882 -15.852 1.00 0.00 N ATOM 117 CA SER A 12 21.422 -3.162 -16.473 1.00 0.00 C ATOM 118 C SER A 12 20.258 -4.117 -16.746 1.00 0.00 C ATOM 119 O SER A 12 20.460 -5.322 -16.891 1.00 0.00 O ATOM 120 CB SER A 12 21.870 -2.487 -17.771 1.00 0.00 C ATOM 121 OG SER A 12 22.552 -1.260 -17.527 1.00 0.00 O ATOM 0 H SER A 12 23.412 -3.807 -16.343 1.00 0.00 H new ATOM 0 HA SER A 12 21.091 -2.384 -15.785 1.00 0.00 H new ATOM 0 HB2 SER A 12 22.524 -3.162 -18.323 1.00 0.00 H new ATOM 0 HB3 SER A 12 21.000 -2.299 -18.401 1.00 0.00 H new ATOM 0 HG SER A 12 22.823 -0.861 -18.380 1.00 0.00 H new ATOM 127 N SER A 13 19.066 -3.543 -16.807 1.00 0.00 N ATOM 128 CA SER A 13 17.869 -4.328 -17.060 1.00 0.00 C ATOM 129 C SER A 13 16.657 -3.405 -17.199 1.00 0.00 C ATOM 130 O SER A 13 16.738 -2.217 -16.889 1.00 0.00 O ATOM 131 CB SER A 13 17.634 -5.348 -15.944 1.00 0.00 C ATOM 132 OG SER A 13 17.264 -4.722 -14.718 1.00 0.00 O ATOM 0 H SER A 13 18.903 -2.543 -16.686 1.00 0.00 H new ATOM 0 HA SER A 13 18.009 -4.875 -17.992 1.00 0.00 H new ATOM 0 HB2 SER A 13 16.851 -6.043 -16.247 1.00 0.00 H new ATOM 0 HB3 SER A 13 18.540 -5.935 -15.793 1.00 0.00 H new ATOM 0 HG SER A 13 17.121 -5.406 -14.031 1.00 0.00 H new ATOM 138 N GLY A 14 15.562 -3.986 -17.666 1.00 0.00 N ATOM 139 CA GLY A 14 14.334 -3.230 -17.850 1.00 0.00 C ATOM 140 C GLY A 14 13.697 -3.542 -19.206 1.00 0.00 C ATOM 141 O GLY A 14 14.334 -3.385 -20.246 1.00 0.00 O ATOM 0 H GLY A 14 15.499 -4.971 -17.923 1.00 0.00 H new ATOM 0 HA2 GLY A 14 13.632 -3.469 -17.051 1.00 0.00 H new ATOM 0 HA3 GLY A 14 14.545 -2.163 -17.780 1.00 0.00 H new ATOM 145 N GLY A 15 12.447 -3.977 -19.150 1.00 0.00 N ATOM 146 CA GLY A 15 11.716 -4.312 -20.360 1.00 0.00 C ATOM 147 C GLY A 15 10.601 -5.318 -20.066 1.00 0.00 C ATOM 148 O GLY A 15 9.879 -5.179 -19.080 1.00 0.00 O ATOM 0 H GLY A 15 11.922 -4.105 -18.285 1.00 0.00 H new ATOM 0 HA2 GLY A 15 11.290 -3.407 -20.794 1.00 0.00 H new ATOM 0 HA3 GLY A 15 12.400 -4.728 -21.099 1.00 0.00 H new ATOM 152 N THR A 16 10.494 -6.307 -20.941 1.00 0.00 N ATOM 153 CA THR A 16 9.479 -7.335 -20.788 1.00 0.00 C ATOM 154 C THR A 16 9.880 -8.321 -19.688 1.00 0.00 C ATOM 155 O THR A 16 11.043 -8.376 -19.293 1.00 0.00 O ATOM 156 CB THR A 16 9.268 -7.998 -22.151 1.00 0.00 C ATOM 157 OG1 THR A 16 8.158 -8.867 -21.946 1.00 0.00 O ATOM 158 CG2 THR A 16 10.414 -8.940 -22.528 1.00 0.00 C ATOM 0 H THR A 16 11.094 -6.418 -21.759 1.00 0.00 H new ATOM 0 HA THR A 16 8.529 -6.908 -20.468 1.00 0.00 H new ATOM 0 HB THR A 16 9.164 -7.229 -22.916 1.00 0.00 H new ATOM 0 HG1 THR A 16 7.951 -9.336 -22.781 1.00 0.00 H new ATOM 0 HG21 THR A 16 10.214 -9.384 -23.503 1.00 0.00 H new ATOM 0 HG22 THR A 16 11.348 -8.379 -22.569 1.00 0.00 H new ATOM 0 HG23 THR A 16 10.497 -9.729 -21.781 1.00 0.00 H new ATOM 166 N THR A 17 8.894 -9.075 -19.226 1.00 0.00 N ATOM 167 CA THR A 17 9.129 -10.056 -18.180 1.00 0.00 C ATOM 168 C THR A 17 7.878 -10.909 -17.958 1.00 0.00 C ATOM 169 O THR A 17 6.765 -10.474 -18.251 1.00 0.00 O ATOM 170 CB THR A 17 9.586 -9.309 -16.925 1.00 0.00 C ATOM 171 OG1 THR A 17 10.985 -9.567 -16.858 1.00 0.00 O ATOM 172 CG2 THR A 17 9.030 -9.928 -15.641 1.00 0.00 C ATOM 0 H THR A 17 7.930 -9.027 -19.557 1.00 0.00 H new ATOM 0 HA THR A 17 9.915 -10.756 -18.463 1.00 0.00 H new ATOM 0 HB THR A 17 9.275 -8.266 -16.989 1.00 0.00 H new ATOM 0 HG1 THR A 17 11.420 -9.223 -17.666 1.00 0.00 H new ATOM 0 HG21 THR A 17 9.384 -9.361 -14.780 1.00 0.00 H new ATOM 0 HG22 THR A 17 7.941 -9.904 -15.668 1.00 0.00 H new ATOM 0 HG23 THR A 17 9.368 -10.961 -15.559 1.00 0.00 H new ATOM 180 N LYS A 18 8.103 -12.108 -17.442 1.00 0.00 N ATOM 181 CA LYS A 18 7.008 -13.026 -17.177 1.00 0.00 C ATOM 182 C LYS A 18 5.865 -12.268 -16.499 1.00 0.00 C ATOM 183 O LYS A 18 4.921 -11.838 -17.160 1.00 0.00 O ATOM 184 CB LYS A 18 7.502 -14.234 -16.379 1.00 0.00 C ATOM 185 CG LYS A 18 8.557 -13.819 -15.352 1.00 0.00 C ATOM 186 CD LYS A 18 8.252 -14.421 -13.979 1.00 0.00 C ATOM 187 CE LYS A 18 9.307 -15.457 -13.588 1.00 0.00 C ATOM 188 NZ LYS A 18 10.109 -14.974 -12.441 1.00 0.00 N ATOM 0 H LYS A 18 9.027 -12.465 -17.200 1.00 0.00 H new ATOM 0 HA LYS A 18 6.615 -13.429 -18.111 1.00 0.00 H new ATOM 0 HB2 LYS A 18 6.662 -14.707 -15.871 1.00 0.00 H new ATOM 0 HB3 LYS A 18 7.923 -14.976 -17.058 1.00 0.00 H new ATOM 0 HG2 LYS A 18 9.542 -14.145 -15.685 1.00 0.00 H new ATOM 0 HG3 LYS A 18 8.589 -12.732 -15.277 1.00 0.00 H new ATOM 0 HD2 LYS A 18 8.219 -13.630 -13.230 1.00 0.00 H new ATOM 0 HD3 LYS A 18 7.267 -14.887 -13.993 1.00 0.00 H new ATOM 0 HE2 LYS A 18 8.822 -16.398 -13.329 1.00 0.00 H new ATOM 0 HE3 LYS A 18 9.960 -15.658 -14.437 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 10.820 -15.690 -12.189 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 10.587 -14.087 -12.700 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 9.484 -14.805 -11.627 1.00 0.00 H new ATOM 202 N ARG A 19 5.988 -12.126 -15.187 1.00 0.00 N ATOM 203 CA ARG A 19 4.977 -11.427 -14.412 1.00 0.00 C ATOM 204 C ARG A 19 4.883 -9.966 -14.857 1.00 0.00 C ATOM 205 O ARG A 19 5.893 -9.268 -14.926 1.00 0.00 O ATOM 206 CB ARG A 19 5.297 -11.477 -12.917 1.00 0.00 C ATOM 207 CG ARG A 19 6.640 -10.805 -12.620 1.00 0.00 C ATOM 208 CD ARG A 19 6.435 -9.413 -12.018 1.00 0.00 C ATOM 209 NE ARG A 19 7.700 -8.648 -12.069 1.00 0.00 N ATOM 210 CZ ARG A 19 7.894 -7.474 -11.454 1.00 0.00 C ATOM 211 NH1 ARG A 19 6.905 -6.922 -10.737 1.00 0.00 N ATOM 212 NH2 ARG A 19 9.076 -6.850 -11.556 1.00 0.00 N ATOM 0 H ARG A 19 6.772 -12.483 -14.641 1.00 0.00 H new ATOM 0 HA ARG A 19 4.023 -11.926 -14.585 1.00 0.00 H new ATOM 0 HB2 ARG A 19 4.506 -10.980 -12.355 1.00 0.00 H new ATOM 0 HB3 ARG A 19 5.323 -12.514 -12.582 1.00 0.00 H new ATOM 0 HG2 ARG A 19 7.215 -11.423 -11.930 1.00 0.00 H new ATOM 0 HG3 ARG A 19 7.222 -10.726 -13.538 1.00 0.00 H new ATOM 0 HD2 ARG A 19 5.657 -8.882 -12.566 1.00 0.00 H new ATOM 0 HD3 ARG A 19 6.095 -9.501 -10.986 1.00 0.00 H new ATOM 0 HE ARG A 19 8.474 -9.039 -12.607 1.00 0.00 H new ATOM 0 HH11 ARG A 19 6.005 -7.396 -10.660 1.00 0.00 H new ATOM 0 HH12 ARG A 19 7.052 -6.028 -10.269 1.00 0.00 H new ATOM 0 HH21 ARG A 19 9.829 -7.269 -12.102 1.00 0.00 H new ATOM 0 HH22 ARG A 19 9.223 -5.956 -11.087 1.00 0.00 H new ATOM 226 N PHE A 20 3.660 -9.547 -15.149 1.00 0.00 N ATOM 227 CA PHE A 20 3.421 -8.183 -15.586 1.00 0.00 C ATOM 228 C PHE A 20 2.925 -7.315 -14.427 1.00 0.00 C ATOM 229 O PHE A 20 2.439 -7.833 -13.423 1.00 0.00 O ATOM 230 CB PHE A 20 2.336 -8.242 -16.664 1.00 0.00 C ATOM 231 CG PHE A 20 2.732 -7.576 -17.983 1.00 0.00 C ATOM 232 CD1 PHE A 20 2.761 -6.219 -18.078 1.00 0.00 C ATOM 233 CD2 PHE A 20 3.056 -8.340 -19.060 1.00 0.00 C ATOM 234 CE1 PHE A 20 3.129 -5.601 -19.302 1.00 0.00 C ATOM 235 CE2 PHE A 20 3.423 -7.721 -20.284 1.00 0.00 C ATOM 236 CZ PHE A 20 3.452 -6.365 -20.380 1.00 0.00 C ATOM 0 H PHE A 20 2.824 -10.129 -15.091 1.00 0.00 H new ATOM 0 HA PHE A 20 4.346 -7.746 -15.963 1.00 0.00 H new ATOM 0 HB2 PHE A 20 2.086 -9.285 -16.856 1.00 0.00 H new ATOM 0 HB3 PHE A 20 1.434 -7.763 -16.284 1.00 0.00 H new ATOM 0 HD1 PHE A 20 2.504 -5.612 -17.222 1.00 0.00 H new ATOM 0 HD2 PHE A 20 3.034 -9.417 -18.985 1.00 0.00 H new ATOM 0 HE1 PHE A 20 3.152 -4.524 -19.377 1.00 0.00 H new ATOM 0 HE2 PHE A 20 3.679 -8.328 -21.140 1.00 0.00 H new ATOM 0 HZ PHE A 20 3.731 -5.895 -21.311 1.00 0.00 H new ATOM 246 N ARG A 21 3.065 -6.009 -14.606 1.00 0.00 N ATOM 247 CA ARG A 21 2.638 -5.065 -13.588 1.00 0.00 C ATOM 248 C ARG A 21 3.448 -5.264 -12.306 1.00 0.00 C ATOM 249 O ARG A 21 4.144 -6.267 -12.156 1.00 0.00 O ATOM 250 CB ARG A 21 1.150 -5.230 -13.273 1.00 0.00 C ATOM 251 CG ARG A 21 0.291 -4.401 -14.231 1.00 0.00 C ATOM 252 CD ARG A 21 -0.856 -5.237 -14.802 1.00 0.00 C ATOM 253 NE ARG A 21 -2.143 -4.532 -14.604 1.00 0.00 N ATOM 254 CZ ARG A 21 -2.435 -3.338 -15.138 1.00 0.00 C ATOM 255 NH1 ARG A 21 -1.534 -2.708 -15.905 1.00 0.00 N ATOM 256 NH2 ARG A 21 -3.627 -2.773 -14.905 1.00 0.00 N ATOM 0 H ARG A 21 3.468 -5.583 -15.441 1.00 0.00 H new ATOM 0 HA ARG A 21 2.807 -4.061 -13.976 1.00 0.00 H new ATOM 0 HB2 ARG A 21 0.873 -6.282 -13.348 1.00 0.00 H new ATOM 0 HB3 ARG A 21 0.956 -4.922 -12.246 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -0.112 -3.534 -13.707 1.00 0.00 H new ATOM 0 HG3 ARG A 21 0.910 -4.022 -15.045 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -0.691 -5.419 -15.864 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -0.886 -6.211 -14.313 1.00 0.00 H new ATOM 0 HE ARG A 21 -2.851 -4.983 -14.025 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -0.626 -3.137 -16.082 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -1.757 -1.799 -16.311 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -4.313 -3.252 -14.321 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -3.849 -1.864 -15.312 1.00 0.00 H new ATOM 270 N THR A 22 3.331 -4.292 -11.413 1.00 0.00 N ATOM 271 CA THR A 22 4.045 -4.347 -10.148 1.00 0.00 C ATOM 272 C THR A 22 3.159 -4.964 -9.063 1.00 0.00 C ATOM 273 O THR A 22 1.978 -4.636 -8.961 1.00 0.00 O ATOM 274 CB THR A 22 4.522 -2.933 -9.812 1.00 0.00 C ATOM 275 OG1 THR A 22 3.329 -2.154 -9.814 1.00 0.00 O ATOM 276 CG2 THR A 22 5.369 -2.320 -10.929 1.00 0.00 C ATOM 0 H THR A 22 2.752 -3.462 -11.540 1.00 0.00 H new ATOM 0 HA THR A 22 4.921 -4.993 -10.215 1.00 0.00 H new ATOM 0 HB THR A 22 5.100 -2.955 -8.888 1.00 0.00 H new ATOM 0 HG1 THR A 22 3.182 -1.778 -8.921 1.00 0.00 H new ATOM 0 HG21 THR A 22 5.682 -1.317 -10.640 1.00 0.00 H new ATOM 0 HG22 THR A 22 6.250 -2.939 -11.100 1.00 0.00 H new ATOM 0 HG23 THR A 22 4.780 -2.267 -11.845 1.00 0.00 H new ATOM 284 N LYS A 23 3.764 -5.845 -8.281 1.00 0.00 N ATOM 285 CA LYS A 23 3.045 -6.510 -7.207 1.00 0.00 C ATOM 286 C LYS A 23 3.788 -6.289 -5.888 1.00 0.00 C ATOM 287 O LYS A 23 4.925 -6.733 -5.730 1.00 0.00 O ATOM 288 CB LYS A 23 2.820 -7.985 -7.546 1.00 0.00 C ATOM 289 CG LYS A 23 4.152 -8.718 -7.719 1.00 0.00 C ATOM 290 CD LYS A 23 4.017 -9.875 -8.710 1.00 0.00 C ATOM 291 CE LYS A 23 4.318 -11.214 -8.034 1.00 0.00 C ATOM 292 NZ LYS A 23 3.287 -12.216 -8.385 1.00 0.00 N ATOM 0 H LYS A 23 4.744 -6.114 -8.369 1.00 0.00 H new ATOM 0 HA LYS A 23 2.051 -6.078 -7.090 1.00 0.00 H new ATOM 0 HB2 LYS A 23 2.240 -8.459 -6.754 1.00 0.00 H new ATOM 0 HB3 LYS A 23 2.235 -8.066 -8.462 1.00 0.00 H new ATOM 0 HG2 LYS A 23 4.912 -8.020 -8.071 1.00 0.00 H new ATOM 0 HG3 LYS A 23 4.490 -9.098 -6.755 1.00 0.00 H new ATOM 0 HD2 LYS A 23 3.008 -9.890 -9.122 1.00 0.00 H new ATOM 0 HD3 LYS A 23 4.700 -9.724 -9.546 1.00 0.00 H new ATOM 0 HE2 LYS A 23 5.300 -11.571 -8.343 1.00 0.00 H new ATOM 0 HE3 LYS A 23 4.352 -11.082 -6.953 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 3.507 -13.119 -7.918 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 2.355 -11.880 -8.069 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 3.274 -12.354 -9.416 1.00 0.00 H new ATOM 306 N PHE A 24 3.116 -5.603 -4.975 1.00 0.00 N ATOM 307 CA PHE A 24 3.699 -5.318 -3.675 1.00 0.00 C ATOM 308 C PHE A 24 2.892 -5.978 -2.556 1.00 0.00 C ATOM 309 O PHE A 24 1.857 -6.593 -2.811 1.00 0.00 O ATOM 310 CB PHE A 24 3.657 -3.800 -3.490 1.00 0.00 C ATOM 311 CG PHE A 24 4.168 -3.011 -4.697 1.00 0.00 C ATOM 312 CD1 PHE A 24 5.449 -3.176 -5.125 1.00 0.00 C ATOM 313 CD2 PHE A 24 3.341 -2.146 -5.344 1.00 0.00 C ATOM 314 CE1 PHE A 24 5.923 -2.444 -6.245 1.00 0.00 C ATOM 315 CE2 PHE A 24 3.816 -1.414 -6.465 1.00 0.00 C ATOM 316 CZ PHE A 24 5.096 -1.578 -6.892 1.00 0.00 C ATOM 0 H PHE A 24 2.174 -5.236 -5.110 1.00 0.00 H new ATOM 0 HA PHE A 24 4.717 -5.706 -3.630 1.00 0.00 H new ATOM 0 HB2 PHE A 24 2.631 -3.498 -3.280 1.00 0.00 H new ATOM 0 HB3 PHE A 24 4.253 -3.534 -2.617 1.00 0.00 H new ATOM 0 HD1 PHE A 24 6.105 -3.864 -4.613 1.00 0.00 H new ATOM 0 HD2 PHE A 24 2.324 -2.016 -5.006 1.00 0.00 H new ATOM 0 HE1 PHE A 24 6.940 -2.574 -6.584 1.00 0.00 H new ATOM 0 HE2 PHE A 24 3.160 -0.727 -6.978 1.00 0.00 H new ATOM 0 HZ PHE A 24 5.457 -1.021 -7.744 1.00 0.00 H new ATOM 326 N THR A 25 3.395 -5.829 -1.339 1.00 0.00 N ATOM 327 CA THR A 25 2.734 -6.404 -0.180 1.00 0.00 C ATOM 328 C THR A 25 2.042 -5.310 0.636 1.00 0.00 C ATOM 329 O THR A 25 2.452 -4.151 0.600 1.00 0.00 O ATOM 330 CB THR A 25 3.777 -7.190 0.618 1.00 0.00 C ATOM 331 OG1 THR A 25 3.043 -7.724 1.716 1.00 0.00 O ATOM 332 CG2 THR A 25 4.819 -6.281 1.273 1.00 0.00 C ATOM 0 H THR A 25 4.253 -5.318 -1.131 1.00 0.00 H new ATOM 0 HA THR A 25 1.944 -7.094 -0.477 1.00 0.00 H new ATOM 0 HB THR A 25 4.277 -7.901 -0.039 1.00 0.00 H new ATOM 0 HG1 THR A 25 3.642 -8.250 2.285 1.00 0.00 H new ATOM 0 HG21 THR A 25 5.535 -6.888 1.827 1.00 0.00 H new ATOM 0 HG22 THR A 25 5.343 -5.714 0.503 1.00 0.00 H new ATOM 0 HG23 THR A 25 4.323 -5.592 1.956 1.00 0.00 H new ATOM 340 N ALA A 26 1.005 -5.718 1.352 1.00 0.00 N ATOM 341 CA ALA A 26 0.252 -4.787 2.175 1.00 0.00 C ATOM 342 C ALA A 26 1.220 -3.817 2.856 1.00 0.00 C ATOM 343 O ALA A 26 1.114 -2.604 2.681 1.00 0.00 O ATOM 344 CB ALA A 26 -0.596 -5.566 3.182 1.00 0.00 C ATOM 0 H ALA A 26 0.668 -6.680 1.379 1.00 0.00 H new ATOM 0 HA ALA A 26 -0.429 -4.197 1.562 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -1.161 -4.868 3.799 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -1.287 -6.219 2.648 1.00 0.00 H new ATOM 0 HB3 ALA A 26 0.054 -6.168 3.817 1.00 0.00 H new ATOM 350 N GLU A 27 2.141 -4.387 3.618 1.00 0.00 N ATOM 351 CA GLU A 27 3.127 -3.588 4.326 1.00 0.00 C ATOM 352 C GLU A 27 3.570 -2.406 3.462 1.00 0.00 C ATOM 353 O GLU A 27 3.459 -1.253 3.877 1.00 0.00 O ATOM 354 CB GLU A 27 4.325 -4.441 4.745 1.00 0.00 C ATOM 355 CG GLU A 27 4.792 -4.076 6.156 1.00 0.00 C ATOM 356 CD GLU A 27 3.724 -4.426 7.194 1.00 0.00 C ATOM 357 OE1 GLU A 27 2.879 -3.544 7.458 1.00 0.00 O ATOM 358 OE2 GLU A 27 3.777 -5.568 7.700 1.00 0.00 O ATOM 0 H GLU A 27 2.226 -5.393 3.761 1.00 0.00 H new ATOM 0 HA GLU A 27 2.667 -3.197 5.234 1.00 0.00 H new ATOM 0 HB2 GLU A 27 4.055 -5.496 4.709 1.00 0.00 H new ATOM 0 HB3 GLU A 27 5.143 -4.297 4.039 1.00 0.00 H new ATOM 0 HG2 GLU A 27 5.716 -4.607 6.386 1.00 0.00 H new ATOM 0 HG3 GLU A 27 5.016 -3.010 6.205 1.00 0.00 H new ATOM 365 N GLN A 28 4.064 -2.732 2.277 1.00 0.00 N ATOM 366 CA GLN A 28 4.525 -1.712 1.351 1.00 0.00 C ATOM 367 C GLN A 28 3.422 -0.680 1.106 1.00 0.00 C ATOM 368 O GLN A 28 3.619 0.512 1.337 1.00 0.00 O ATOM 369 CB GLN A 28 4.994 -2.336 0.036 1.00 0.00 C ATOM 370 CG GLN A 28 6.478 -2.053 -0.207 1.00 0.00 C ATOM 371 CD GLN A 28 6.943 -2.663 -1.531 1.00 0.00 C ATOM 372 OE1 GLN A 28 6.254 -2.627 -2.537 1.00 0.00 O ATOM 373 NE2 GLN A 28 8.148 -3.224 -1.475 1.00 0.00 N ATOM 0 H GLN A 28 4.155 -3.689 1.937 1.00 0.00 H new ATOM 0 HA GLN A 28 5.379 -1.203 1.798 1.00 0.00 H new ATOM 0 HB2 GLN A 28 4.825 -3.412 0.059 1.00 0.00 H new ATOM 0 HB3 GLN A 28 4.404 -1.938 -0.790 1.00 0.00 H new ATOM 0 HG2 GLN A 28 6.649 -0.977 -0.218 1.00 0.00 H new ATOM 0 HG3 GLN A 28 7.069 -2.461 0.613 1.00 0.00 H new ATOM 0 HE21 GLN A 28 8.672 -3.220 -0.600 1.00 0.00 H new ATOM 0 HE22 GLN A 28 8.547 -3.659 -2.307 1.00 0.00 H new ATOM 382 N LYS A 29 2.285 -1.176 0.642 1.00 0.00 N ATOM 383 CA LYS A 29 1.150 -0.313 0.363 1.00 0.00 C ATOM 384 C LYS A 29 0.874 0.570 1.582 1.00 0.00 C ATOM 385 O LYS A 29 0.678 1.776 1.447 1.00 0.00 O ATOM 386 CB LYS A 29 -0.057 -1.141 -0.083 1.00 0.00 C ATOM 387 CG LYS A 29 0.211 -1.823 -1.426 1.00 0.00 C ATOM 388 CD LYS A 29 0.347 -3.338 -1.254 1.00 0.00 C ATOM 389 CE LYS A 29 -0.792 -4.074 -1.962 1.00 0.00 C ATOM 390 NZ LYS A 29 -1.760 -4.603 -0.976 1.00 0.00 N ATOM 0 H LYS A 29 2.125 -2.165 0.452 1.00 0.00 H new ATOM 0 HA LYS A 29 1.374 0.354 -0.470 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -0.285 -1.894 0.672 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -0.933 -0.498 -0.166 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -0.602 -1.603 -2.118 1.00 0.00 H new ATOM 0 HG3 LYS A 29 1.123 -1.420 -1.867 1.00 0.00 H new ATOM 0 HD2 LYS A 29 1.304 -3.669 -1.657 1.00 0.00 H new ATOM 0 HD3 LYS A 29 0.343 -3.589 -0.193 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -1.298 -3.397 -2.650 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -0.389 -4.892 -2.559 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -2.526 -5.099 -1.474 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -1.277 -5.265 -0.336 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -2.158 -3.817 -0.424 1.00 0.00 H new ATOM 404 N GLU A 30 0.869 -0.067 2.744 1.00 0.00 N ATOM 405 CA GLU A 30 0.620 0.645 3.986 1.00 0.00 C ATOM 406 C GLU A 30 1.705 1.699 4.219 1.00 0.00 C ATOM 407 O GLU A 30 1.405 2.884 4.355 1.00 0.00 O ATOM 408 CB GLU A 30 0.535 -0.324 5.166 1.00 0.00 C ATOM 409 CG GLU A 30 -0.643 -1.286 5.001 1.00 0.00 C ATOM 410 CD GLU A 30 -1.071 -1.865 6.351 1.00 0.00 C ATOM 411 OE1 GLU A 30 -1.604 -1.078 7.163 1.00 0.00 O ATOM 412 OE2 GLU A 30 -0.856 -3.082 6.541 1.00 0.00 O ATOM 0 H GLU A 30 1.033 -1.068 2.851 1.00 0.00 H new ATOM 0 HA GLU A 30 -0.341 1.152 3.905 1.00 0.00 H new ATOM 0 HB2 GLU A 30 1.463 -0.890 5.244 1.00 0.00 H new ATOM 0 HB3 GLU A 30 0.424 0.236 6.094 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -1.483 -0.763 4.543 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -0.365 -2.095 4.326 1.00 0.00 H new ATOM 419 N LYS A 31 2.943 1.230 4.258 1.00 0.00 N ATOM 420 CA LYS A 31 4.074 2.117 4.473 1.00 0.00 C ATOM 421 C LYS A 31 3.937 3.339 3.563 1.00 0.00 C ATOM 422 O LYS A 31 4.000 4.475 4.029 1.00 0.00 O ATOM 423 CB LYS A 31 5.391 1.359 4.293 1.00 0.00 C ATOM 424 CG LYS A 31 5.898 0.816 5.630 1.00 0.00 C ATOM 425 CD LYS A 31 5.815 -0.712 5.668 1.00 0.00 C ATOM 426 CE LYS A 31 7.169 -1.325 6.030 1.00 0.00 C ATOM 427 NZ LYS A 31 7.402 -2.562 5.251 1.00 0.00 N ATOM 0 H LYS A 31 3.188 0.246 4.144 1.00 0.00 H new ATOM 0 HA LYS A 31 4.082 2.483 5.500 1.00 0.00 H new ATOM 0 HB2 LYS A 31 5.248 0.536 3.593 1.00 0.00 H new ATOM 0 HB3 LYS A 31 6.139 2.021 3.858 1.00 0.00 H new ATOM 0 HG2 LYS A 31 6.929 1.132 5.787 1.00 0.00 H new ATOM 0 HG3 LYS A 31 5.308 1.236 6.445 1.00 0.00 H new ATOM 0 HD2 LYS A 31 5.065 -1.021 6.396 1.00 0.00 H new ATOM 0 HD3 LYS A 31 5.490 -1.087 4.697 1.00 0.00 H new ATOM 0 HE2 LYS A 31 7.965 -0.607 5.831 1.00 0.00 H new ATOM 0 HE3 LYS A 31 7.201 -1.548 7.096 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 7.554 -3.359 5.902 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 6.574 -2.757 4.653 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 8.242 -2.441 4.650 1.00 0.00 H new ATOM 441 N MET A 32 3.754 3.064 2.280 1.00 0.00 N ATOM 442 CA MET A 32 3.609 4.126 1.300 1.00 0.00 C ATOM 443 C MET A 32 2.436 5.043 1.655 1.00 0.00 C ATOM 444 O MET A 32 2.593 6.262 1.715 1.00 0.00 O ATOM 445 CB MET A 32 3.379 3.517 -0.085 1.00 0.00 C ATOM 446 CG MET A 32 4.679 2.945 -0.655 1.00 0.00 C ATOM 447 SD MET A 32 4.572 2.841 -2.434 1.00 0.00 S ATOM 448 CE MET A 32 4.023 1.152 -2.612 1.00 0.00 C ATOM 0 H MET A 32 3.703 2.120 1.897 1.00 0.00 H new ATOM 0 HA MET A 32 4.523 4.719 1.298 1.00 0.00 H new ATOM 0 HB2 MET A 32 2.629 2.729 -0.020 1.00 0.00 H new ATOM 0 HB3 MET A 32 2.985 4.277 -0.760 1.00 0.00 H new ATOM 0 HG2 MET A 32 5.520 3.577 -0.369 1.00 0.00 H new ATOM 0 HG3 MET A 32 4.866 1.957 -0.235 1.00 0.00 H new ATOM 0 HE1 MET A 32 4.108 0.850 -3.656 1.00 0.00 H new ATOM 0 HE2 MET A 32 4.642 0.501 -1.995 1.00 0.00 H new ATOM 0 HE3 MET A 32 2.983 1.072 -2.294 1.00 0.00 H new ATOM 458 N LEU A 33 1.288 4.422 1.880 1.00 0.00 N ATOM 459 CA LEU A 33 0.090 5.166 2.228 1.00 0.00 C ATOM 460 C LEU A 33 0.453 6.275 3.219 1.00 0.00 C ATOM 461 O LEU A 33 0.048 7.423 3.046 1.00 0.00 O ATOM 462 CB LEU A 33 -1.000 4.221 2.736 1.00 0.00 C ATOM 463 CG LEU A 33 -2.086 3.845 1.725 1.00 0.00 C ATOM 464 CD1 LEU A 33 -3.139 4.950 1.615 1.00 0.00 C ATOM 465 CD2 LEU A 33 -1.474 3.499 0.367 1.00 0.00 C ATOM 0 H LEU A 33 1.162 3.411 1.828 1.00 0.00 H new ATOM 0 HA LEU A 33 -0.327 5.650 1.345 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -0.525 3.305 3.086 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -1.479 4.682 3.600 1.00 0.00 H new ATOM 0 HG LEU A 33 -2.594 2.951 2.086 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -3.899 4.658 0.890 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -3.606 5.106 2.588 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -2.663 5.875 1.289 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -2.267 3.236 -0.333 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -0.925 4.360 -0.014 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -0.794 2.655 0.479 1.00 0.00 H new ATOM 477 N ALA A 34 1.212 5.891 4.234 1.00 0.00 N ATOM 478 CA ALA A 34 1.634 6.838 5.253 1.00 0.00 C ATOM 479 C ALA A 34 2.789 7.683 4.710 1.00 0.00 C ATOM 480 O ALA A 34 2.689 8.907 4.642 1.00 0.00 O ATOM 481 CB ALA A 34 2.014 6.082 6.527 1.00 0.00 C ATOM 0 H ALA A 34 1.546 4.937 4.373 1.00 0.00 H new ATOM 0 HA ALA A 34 0.820 7.516 5.507 1.00 0.00 H new ATOM 0 HB1 ALA A 34 2.330 6.792 7.291 1.00 0.00 H new ATOM 0 HB2 ALA A 34 1.152 5.521 6.888 1.00 0.00 H new ATOM 0 HB3 ALA A 34 2.831 5.393 6.311 1.00 0.00 H new ATOM 487 N PHE A 35 3.859 6.995 4.338 1.00 0.00 N ATOM 488 CA PHE A 35 5.032 7.667 3.804 1.00 0.00 C ATOM 489 C PHE A 35 4.631 8.853 2.925 1.00 0.00 C ATOM 490 O PHE A 35 5.124 9.964 3.113 1.00 0.00 O ATOM 491 CB PHE A 35 5.782 6.644 2.949 1.00 0.00 C ATOM 492 CG PHE A 35 7.224 7.041 2.627 1.00 0.00 C ATOM 493 CD1 PHE A 35 8.148 7.116 3.623 1.00 0.00 C ATOM 494 CD2 PHE A 35 7.583 7.319 1.345 1.00 0.00 C ATOM 495 CE1 PHE A 35 9.486 7.484 3.324 1.00 0.00 C ATOM 496 CE2 PHE A 35 8.921 7.688 1.046 1.00 0.00 C ATOM 497 CZ PHE A 35 9.845 7.762 2.042 1.00 0.00 C ATOM 0 H PHE A 35 3.938 5.980 4.396 1.00 0.00 H new ATOM 0 HA PHE A 35 5.648 8.046 4.620 1.00 0.00 H new ATOM 0 HB2 PHE A 35 5.787 5.686 3.468 1.00 0.00 H new ATOM 0 HB3 PHE A 35 5.239 6.498 2.015 1.00 0.00 H new ATOM 0 HD1 PHE A 35 7.863 6.896 4.641 1.00 0.00 H new ATOM 0 HD2 PHE A 35 6.850 7.259 0.554 1.00 0.00 H new ATOM 0 HE1 PHE A 35 10.219 7.543 4.115 1.00 0.00 H new ATOM 0 HE2 PHE A 35 9.205 7.910 0.028 1.00 0.00 H new ATOM 0 HZ PHE A 35 10.863 8.041 1.815 1.00 0.00 H new ATOM 507 N ALA A 36 3.740 8.577 1.984 1.00 0.00 N ATOM 508 CA ALA A 36 3.267 9.608 1.075 1.00 0.00 C ATOM 509 C ALA A 36 2.570 10.708 1.878 1.00 0.00 C ATOM 510 O ALA A 36 2.850 11.891 1.689 1.00 0.00 O ATOM 511 CB ALA A 36 2.348 8.980 0.025 1.00 0.00 C ATOM 0 H ALA A 36 3.333 7.654 1.831 1.00 0.00 H new ATOM 0 HA ALA A 36 4.102 10.066 0.545 1.00 0.00 H new ATOM 0 HB1 ALA A 36 1.993 9.753 -0.657 1.00 0.00 H new ATOM 0 HB2 ALA A 36 2.899 8.226 -0.537 1.00 0.00 H new ATOM 0 HB3 ALA A 36 1.496 8.513 0.520 1.00 0.00 H new ATOM 517 N GLU A 37 1.675 10.280 2.756 1.00 0.00 N ATOM 518 CA GLU A 37 0.935 11.214 3.587 1.00 0.00 C ATOM 519 C GLU A 37 1.898 12.161 4.306 1.00 0.00 C ATOM 520 O GLU A 37 1.581 13.331 4.518 1.00 0.00 O ATOM 521 CB GLU A 37 0.046 10.473 4.587 1.00 0.00 C ATOM 522 CG GLU A 37 -1.416 10.486 4.136 1.00 0.00 C ATOM 523 CD GLU A 37 -2.034 11.873 4.321 1.00 0.00 C ATOM 524 OE1 GLU A 37 -1.631 12.550 5.291 1.00 0.00 O ATOM 525 OE2 GLU A 37 -2.897 12.225 3.487 1.00 0.00 O ATOM 0 H GLU A 37 1.446 9.298 2.910 1.00 0.00 H new ATOM 0 HA GLU A 37 0.285 11.807 2.944 1.00 0.00 H new ATOM 0 HB2 GLU A 37 0.389 9.444 4.691 1.00 0.00 H new ATOM 0 HB3 GLU A 37 0.131 10.938 5.569 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -1.480 10.192 3.088 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -1.983 9.752 4.708 1.00 0.00 H new ATOM 532 N ARG A 38 3.054 11.621 4.662 1.00 0.00 N ATOM 533 CA ARG A 38 4.065 12.403 5.353 1.00 0.00 C ATOM 534 C ARG A 38 4.713 13.401 4.391 1.00 0.00 C ATOM 535 O ARG A 38 4.851 14.580 4.713 1.00 0.00 O ATOM 536 CB ARG A 38 5.148 11.501 5.948 1.00 0.00 C ATOM 537 CG ARG A 38 4.565 10.153 6.375 1.00 0.00 C ATOM 538 CD ARG A 38 5.350 9.563 7.549 1.00 0.00 C ATOM 539 NE ARG A 38 4.904 8.176 7.810 1.00 0.00 N ATOM 540 CZ ARG A 38 5.056 7.547 8.983 1.00 0.00 C ATOM 541 NH1 ARG A 38 5.644 8.175 10.009 1.00 0.00 N ATOM 542 NH2 ARG A 38 4.620 6.288 9.129 1.00 0.00 N ATOM 0 H ARG A 38 3.313 10.651 4.485 1.00 0.00 H new ATOM 0 HA ARG A 38 3.572 12.941 6.163 1.00 0.00 H new ATOM 0 HB2 ARG A 38 5.939 11.343 5.214 1.00 0.00 H new ATOM 0 HB3 ARG A 38 5.604 11.993 6.807 1.00 0.00 H new ATOM 0 HG2 ARG A 38 3.520 10.278 6.658 1.00 0.00 H new ATOM 0 HG3 ARG A 38 4.587 9.460 5.534 1.00 0.00 H new ATOM 0 HD2 ARG A 38 6.417 9.575 7.326 1.00 0.00 H new ATOM 0 HD3 ARG A 38 5.203 10.175 8.439 1.00 0.00 H new ATOM 0 HE ARG A 38 4.453 7.668 7.050 1.00 0.00 H new ATOM 0 HH11 ARG A 38 5.976 9.133 9.898 1.00 0.00 H new ATOM 0 HH12 ARG A 38 5.759 7.696 10.902 1.00 0.00 H new ATOM 0 HH21 ARG A 38 4.173 5.809 8.347 1.00 0.00 H new ATOM 0 HH22 ARG A 38 4.735 5.809 10.022 1.00 0.00 H new ATOM 556 N LEU A 39 5.095 12.891 3.229 1.00 0.00 N ATOM 557 CA LEU A 39 5.725 13.722 2.218 1.00 0.00 C ATOM 558 C LEU A 39 4.660 14.578 1.530 1.00 0.00 C ATOM 559 O LEU A 39 4.982 15.434 0.707 1.00 0.00 O ATOM 560 CB LEU A 39 6.543 12.863 1.251 1.00 0.00 C ATOM 561 CG LEU A 39 7.264 11.662 1.866 1.00 0.00 C ATOM 562 CD1 LEU A 39 6.967 10.383 1.081 1.00 0.00 C ATOM 563 CD2 LEU A 39 8.766 11.926 1.985 1.00 0.00 C ATOM 0 H LEU A 39 4.980 11.912 2.966 1.00 0.00 H new ATOM 0 HA LEU A 39 6.436 14.408 2.679 1.00 0.00 H new ATOM 0 HB2 LEU A 39 5.878 12.500 0.467 1.00 0.00 H new ATOM 0 HB3 LEU A 39 7.285 13.500 0.770 1.00 0.00 H new ATOM 0 HG LEU A 39 6.882 11.515 2.876 1.00 0.00 H new ATOM 0 HD11 LEU A 39 7.492 9.545 1.539 1.00 0.00 H new ATOM 0 HD12 LEU A 39 5.894 10.190 1.093 1.00 0.00 H new ATOM 0 HD13 LEU A 39 7.303 10.502 0.051 1.00 0.00 H new ATOM 0 HD21 LEU A 39 9.254 11.057 2.425 1.00 0.00 H new ATOM 0 HD22 LEU A 39 9.182 12.114 0.995 1.00 0.00 H new ATOM 0 HD23 LEU A 39 8.933 12.796 2.620 1.00 0.00 H new ATOM 575 N GLY A 40 3.412 14.317 1.892 1.00 0.00 N ATOM 576 CA GLY A 40 2.297 15.052 1.320 1.00 0.00 C ATOM 577 C GLY A 40 2.013 14.591 -0.111 1.00 0.00 C ATOM 578 O GLY A 40 1.481 15.352 -0.918 1.00 0.00 O ATOM 0 H GLY A 40 3.149 13.606 2.575 1.00 0.00 H new ATOM 0 HA2 GLY A 40 1.409 14.909 1.935 1.00 0.00 H new ATOM 0 HA3 GLY A 40 2.519 16.119 1.325 1.00 0.00 H new ATOM 582 N TRP A 41 2.380 13.348 -0.382 1.00 0.00 N ATOM 583 CA TRP A 41 2.171 12.776 -1.701 1.00 0.00 C ATOM 584 C TRP A 41 3.063 13.530 -2.690 1.00 0.00 C ATOM 585 O TRP A 41 2.750 13.612 -3.876 1.00 0.00 O ATOM 586 CB TRP A 41 0.691 12.811 -2.086 1.00 0.00 C ATOM 587 CG TRP A 41 -0.199 11.920 -1.217 1.00 0.00 C ATOM 588 CD1 TRP A 41 -0.965 12.281 -0.179 1.00 0.00 C ATOM 589 CD2 TRP A 41 -0.385 10.495 -1.354 1.00 0.00 C ATOM 590 NE1 TRP A 41 -1.629 11.198 0.361 1.00 0.00 N ATOM 591 CE2 TRP A 41 -1.264 10.077 -0.377 1.00 0.00 C ATOM 592 CE3 TRP A 41 0.172 9.590 -2.275 1.00 0.00 C ATOM 593 CZ2 TRP A 41 -1.665 8.745 -0.225 1.00 0.00 C ATOM 594 CZ3 TRP A 41 -0.239 8.261 -2.110 1.00 0.00 C ATOM 595 CH2 TRP A 41 -1.123 7.825 -1.130 1.00 0.00 C ATOM 0 H TRP A 41 2.821 12.720 0.290 1.00 0.00 H new ATOM 0 HA TRP A 41 2.450 11.722 -1.713 1.00 0.00 H new ATOM 0 HB2 TRP A 41 0.333 13.839 -2.021 1.00 0.00 H new ATOM 0 HB3 TRP A 41 0.589 12.504 -3.127 1.00 0.00 H new ATOM 0 HD1 TRP A 41 -1.052 13.293 0.189 1.00 0.00 H new ATOM 0 HE1 TRP A 41 -2.269 11.216 1.155 1.00 0.00 H new ATOM 0 HE3 TRP A 41 0.862 9.895 -3.048 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 -2.355 8.443 0.549 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 0.159 7.524 -2.792 1.00 0.00 H new ATOM 0 HH2 TRP A 41 -1.391 6.781 -1.067 1.00 0.00 H new ATOM 606 N ARG A 42 4.157 14.062 -2.164 1.00 0.00 N ATOM 607 CA ARG A 42 5.097 14.806 -2.985 1.00 0.00 C ATOM 608 C ARG A 42 6.526 14.590 -2.484 1.00 0.00 C ATOM 609 O ARG A 42 6.774 14.605 -1.279 1.00 0.00 O ATOM 610 CB ARG A 42 4.778 16.302 -2.968 1.00 0.00 C ATOM 611 CG ARG A 42 4.816 16.855 -1.541 1.00 0.00 C ATOM 612 CD ARG A 42 4.744 18.383 -1.543 1.00 0.00 C ATOM 613 NE ARG A 42 4.532 18.881 -0.166 1.00 0.00 N ATOM 614 CZ ARG A 42 4.736 20.150 0.214 1.00 0.00 C ATOM 615 NH1 ARG A 42 5.157 21.057 -0.678 1.00 0.00 N ATOM 616 NH2 ARG A 42 4.518 20.513 1.485 1.00 0.00 N ATOM 0 H ARG A 42 4.413 13.992 -1.179 1.00 0.00 H new ATOM 0 HA ARG A 42 5.008 14.439 -4.007 1.00 0.00 H new ATOM 0 HB2 ARG A 42 5.496 16.838 -3.589 1.00 0.00 H new ATOM 0 HB3 ARG A 42 3.793 16.472 -3.402 1.00 0.00 H new ATOM 0 HG2 ARG A 42 3.983 16.449 -0.968 1.00 0.00 H new ATOM 0 HG3 ARG A 42 5.732 16.531 -1.046 1.00 0.00 H new ATOM 0 HD2 ARG A 42 5.666 18.798 -1.951 1.00 0.00 H new ATOM 0 HD3 ARG A 42 3.931 18.716 -2.188 1.00 0.00 H new ATOM 0 HE ARG A 42 4.210 18.217 0.538 1.00 0.00 H new ATOM 0 HH11 ARG A 42 5.322 20.782 -1.646 1.00 0.00 H new ATOM 0 HH12 ARG A 42 5.312 22.023 -0.389 1.00 0.00 H new ATOM 0 HH21 ARG A 42 4.197 19.823 2.164 1.00 0.00 H new ATOM 0 HH22 ARG A 42 4.674 21.479 1.773 1.00 0.00 H new ATOM 630 N ILE A 43 7.429 14.395 -3.434 1.00 0.00 N ATOM 631 CA ILE A 43 8.827 14.176 -3.104 1.00 0.00 C ATOM 632 C ILE A 43 9.643 15.401 -3.523 1.00 0.00 C ATOM 633 O ILE A 43 9.381 15.999 -4.565 1.00 0.00 O ATOM 634 CB ILE A 43 9.324 12.867 -3.719 1.00 0.00 C ATOM 635 CG1 ILE A 43 8.576 11.667 -3.134 1.00 0.00 C ATOM 636 CG2 ILE A 43 10.840 12.728 -3.564 1.00 0.00 C ATOM 637 CD1 ILE A 43 8.694 10.447 -4.050 1.00 0.00 C ATOM 0 H ILE A 43 7.220 14.384 -4.432 1.00 0.00 H new ATOM 0 HA ILE A 43 8.951 14.062 -2.027 1.00 0.00 H new ATOM 0 HB ILE A 43 9.111 12.890 -4.788 1.00 0.00 H new ATOM 0 HG12 ILE A 43 8.979 11.428 -2.150 1.00 0.00 H new ATOM 0 HG13 ILE A 43 7.525 11.922 -2.995 1.00 0.00 H new ATOM 0 HG21 ILE A 43 11.167 11.789 -4.010 1.00 0.00 H new ATOM 0 HG22 ILE A 43 11.335 13.559 -4.066 1.00 0.00 H new ATOM 0 HG23 ILE A 43 11.100 12.737 -2.505 1.00 0.00 H new ATOM 0 HD11 ILE A 43 8.154 9.609 -3.611 1.00 0.00 H new ATOM 0 HD12 ILE A 43 8.268 10.682 -5.026 1.00 0.00 H new ATOM 0 HD13 ILE A 43 9.744 10.180 -4.167 1.00 0.00 H new ATOM 649 N GLN A 44 10.615 15.738 -2.688 1.00 0.00 N ATOM 650 CA GLN A 44 11.471 16.881 -2.959 1.00 0.00 C ATOM 651 C GLN A 44 12.943 16.464 -2.917 1.00 0.00 C ATOM 652 O GLN A 44 13.274 15.315 -3.204 1.00 0.00 O ATOM 653 CB GLN A 44 11.195 18.018 -1.973 1.00 0.00 C ATOM 654 CG GLN A 44 9.718 18.051 -1.574 1.00 0.00 C ATOM 655 CD GLN A 44 9.283 19.469 -1.198 1.00 0.00 C ATOM 656 OE1 GLN A 44 9.848 20.456 -1.639 1.00 0.00 O ATOM 657 NE2 GLN A 44 8.251 19.514 -0.362 1.00 0.00 N ATOM 0 H GLN A 44 10.829 15.240 -1.824 1.00 0.00 H new ATOM 0 HA GLN A 44 11.247 17.249 -3.960 1.00 0.00 H new ATOM 0 HB2 GLN A 44 11.813 17.891 -1.084 1.00 0.00 H new ATOM 0 HB3 GLN A 44 11.475 18.970 -2.423 1.00 0.00 H new ATOM 0 HG2 GLN A 44 9.106 17.686 -2.399 1.00 0.00 H new ATOM 0 HG3 GLN A 44 9.550 17.380 -0.732 1.00 0.00 H new ATOM 0 HE21 GLN A 44 7.825 18.648 -0.031 1.00 0.00 H new ATOM 0 HE22 GLN A 44 7.885 20.414 -0.051 1.00 0.00 H new ATOM 666 N LYS A 45 13.785 17.420 -2.556 1.00 0.00 N ATOM 667 CA LYS A 45 15.214 17.166 -2.472 1.00 0.00 C ATOM 668 C LYS A 45 15.556 16.660 -1.070 1.00 0.00 C ATOM 669 O LYS A 45 16.516 15.911 -0.893 1.00 0.00 O ATOM 670 CB LYS A 45 16.004 18.409 -2.887 1.00 0.00 C ATOM 671 CG LYS A 45 17.509 18.179 -2.733 1.00 0.00 C ATOM 672 CD LYS A 45 18.245 19.501 -2.508 1.00 0.00 C ATOM 673 CE LYS A 45 18.603 19.685 -1.032 1.00 0.00 C ATOM 674 NZ LYS A 45 19.844 18.948 -0.704 1.00 0.00 N ATOM 0 H LYS A 45 13.506 18.372 -2.318 1.00 0.00 H new ATOM 0 HA LYS A 45 15.504 16.383 -3.173 1.00 0.00 H new ATOM 0 HB2 LYS A 45 15.775 18.661 -3.923 1.00 0.00 H new ATOM 0 HB3 LYS A 45 15.698 19.259 -2.277 1.00 0.00 H new ATOM 0 HG2 LYS A 45 17.694 17.508 -1.894 1.00 0.00 H new ATOM 0 HG3 LYS A 45 17.899 17.689 -3.625 1.00 0.00 H new ATOM 0 HD2 LYS A 45 19.152 19.523 -3.111 1.00 0.00 H new ATOM 0 HD3 LYS A 45 17.621 20.330 -2.841 1.00 0.00 H new ATOM 0 HE2 LYS A 45 18.734 20.745 -0.813 1.00 0.00 H new ATOM 0 HE3 LYS A 45 17.785 19.328 -0.406 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 20.073 19.083 0.301 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 19.707 17.935 -0.894 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 20.626 19.307 -1.288 1.00 0.00 H new ATOM 688 N HIS A 46 14.752 17.088 -0.108 1.00 0.00 N ATOM 689 CA HIS A 46 14.958 16.687 1.274 1.00 0.00 C ATOM 690 C HIS A 46 14.396 15.280 1.489 1.00 0.00 C ATOM 691 O HIS A 46 14.853 14.554 2.370 1.00 0.00 O ATOM 692 CB HIS A 46 14.360 17.718 2.233 1.00 0.00 C ATOM 693 CG HIS A 46 12.854 17.666 2.330 1.00 0.00 C ATOM 694 ND1 HIS A 46 12.022 18.305 1.427 1.00 0.00 N ATOM 695 CD2 HIS A 46 12.039 17.044 3.230 1.00 0.00 C ATOM 696 CE1 HIS A 46 10.766 18.072 1.778 1.00 0.00 C ATOM 697 NE2 HIS A 46 10.778 17.291 2.896 1.00 0.00 N ATOM 0 H HIS A 46 13.956 17.709 -0.258 1.00 0.00 H new ATOM 0 HA HIS A 46 16.025 16.651 1.491 1.00 0.00 H new ATOM 0 HB2 HIS A 46 14.783 17.564 3.226 1.00 0.00 H new ATOM 0 HB3 HIS A 46 14.659 18.715 1.910 1.00 0.00 H new ATOM 0 HD2 HIS A 46 12.365 16.451 4.072 1.00 0.00 H new ATOM 0 HE1 HIS A 46 9.887 18.437 1.268 1.00 0.00 H new ATOM 0 HE2 HIS A 46 9.954 16.953 3.393 1.00 0.00 H new ATOM 705 N ASP A 47 13.413 14.939 0.669 1.00 0.00 N ATOM 706 CA ASP A 47 12.784 13.632 0.759 1.00 0.00 C ATOM 707 C ASP A 47 13.638 12.607 0.009 1.00 0.00 C ATOM 708 O ASP A 47 13.563 11.411 0.285 1.00 0.00 O ATOM 709 CB ASP A 47 11.393 13.645 0.121 1.00 0.00 C ATOM 710 CG ASP A 47 10.539 14.869 0.457 1.00 0.00 C ATOM 711 OD1 ASP A 47 11.034 15.991 0.214 1.00 0.00 O ATOM 712 OD2 ASP A 47 9.411 14.656 0.950 1.00 0.00 O ATOM 0 H ASP A 47 13.037 15.545 -0.060 1.00 0.00 H new ATOM 0 HA ASP A 47 12.695 13.373 1.814 1.00 0.00 H new ATOM 0 HB2 ASP A 47 11.506 13.585 -0.962 1.00 0.00 H new ATOM 0 HB3 ASP A 47 10.857 12.749 0.435 1.00 0.00 H new ATOM 717 N ASP A 48 14.430 13.114 -0.924 1.00 0.00 N ATOM 718 CA ASP A 48 15.297 12.258 -1.715 1.00 0.00 C ATOM 719 C ASP A 48 15.948 11.216 -0.803 1.00 0.00 C ATOM 720 O ASP A 48 16.142 10.069 -1.204 1.00 0.00 O ATOM 721 CB ASP A 48 16.412 13.067 -2.380 1.00 0.00 C ATOM 722 CG ASP A 48 17.103 12.372 -3.556 1.00 0.00 C ATOM 723 OD1 ASP A 48 18.031 11.581 -3.282 1.00 0.00 O ATOM 724 OD2 ASP A 48 16.686 12.648 -4.702 1.00 0.00 O ATOM 0 H ASP A 48 14.489 14.107 -1.150 1.00 0.00 H new ATOM 0 HA ASP A 48 14.689 11.782 -2.484 1.00 0.00 H new ATOM 0 HB2 ASP A 48 15.996 14.012 -2.730 1.00 0.00 H new ATOM 0 HB3 ASP A 48 17.163 13.308 -1.628 1.00 0.00 H new ATOM 729 N VAL A 49 16.267 11.652 0.406 1.00 0.00 N ATOM 730 CA VAL A 49 16.892 10.772 1.379 1.00 0.00 C ATOM 731 C VAL A 49 15.842 9.813 1.942 1.00 0.00 C ATOM 732 O VAL A 49 15.940 8.601 1.756 1.00 0.00 O ATOM 733 CB VAL A 49 17.588 11.599 2.462 1.00 0.00 C ATOM 734 CG1 VAL A 49 18.189 10.695 3.540 1.00 0.00 C ATOM 735 CG2 VAL A 49 18.655 12.512 1.854 1.00 0.00 C ATOM 0 H VAL A 49 16.104 12.604 0.735 1.00 0.00 H new ATOM 0 HA VAL A 49 17.664 10.166 0.905 1.00 0.00 H new ATOM 0 HB VAL A 49 16.837 12.231 2.936 1.00 0.00 H new ATOM 0 HG11 VAL A 49 18.678 11.308 4.298 1.00 0.00 H new ATOM 0 HG12 VAL A 49 17.398 10.107 4.004 1.00 0.00 H new ATOM 0 HG13 VAL A 49 18.921 10.026 3.087 1.00 0.00 H new ATOM 0 HG21 VAL A 49 19.134 13.089 2.645 1.00 0.00 H new ATOM 0 HG22 VAL A 49 19.403 11.907 1.342 1.00 0.00 H new ATOM 0 HG23 VAL A 49 18.189 13.192 1.141 1.00 0.00 H new ATOM 745 N ALA A 50 14.860 10.391 2.618 1.00 0.00 N ATOM 746 CA ALA A 50 13.792 9.603 3.209 1.00 0.00 C ATOM 747 C ALA A 50 13.299 8.575 2.189 1.00 0.00 C ATOM 748 O ALA A 50 12.931 7.459 2.555 1.00 0.00 O ATOM 749 CB ALA A 50 12.675 10.533 3.686 1.00 0.00 C ATOM 0 H ALA A 50 14.782 11.397 2.770 1.00 0.00 H new ATOM 0 HA ALA A 50 14.155 9.056 4.079 1.00 0.00 H new ATOM 0 HB1 ALA A 50 11.874 9.942 4.129 1.00 0.00 H new ATOM 0 HB2 ALA A 50 13.070 11.224 4.430 1.00 0.00 H new ATOM 0 HB3 ALA A 50 12.284 11.096 2.839 1.00 0.00 H new ATOM 755 N VAL A 51 13.307 8.986 0.930 1.00 0.00 N ATOM 756 CA VAL A 51 12.866 8.115 -0.146 1.00 0.00 C ATOM 757 C VAL A 51 13.798 6.905 -0.231 1.00 0.00 C ATOM 758 O VAL A 51 13.340 5.772 -0.375 1.00 0.00 O ATOM 759 CB VAL A 51 12.784 8.900 -1.456 1.00 0.00 C ATOM 760 CG1 VAL A 51 12.640 7.957 -2.652 1.00 0.00 C ATOM 761 CG2 VAL A 51 11.639 9.914 -1.417 1.00 0.00 C ATOM 0 H VAL A 51 13.612 9.912 0.630 1.00 0.00 H new ATOM 0 HA VAL A 51 11.863 7.739 0.054 1.00 0.00 H new ATOM 0 HB VAL A 51 13.716 9.452 -1.575 1.00 0.00 H new ATOM 0 HG11 VAL A 51 12.584 8.541 -3.571 1.00 0.00 H new ATOM 0 HG12 VAL A 51 13.502 7.292 -2.697 1.00 0.00 H new ATOM 0 HG13 VAL A 51 11.731 7.366 -2.542 1.00 0.00 H new ATOM 0 HG21 VAL A 51 11.603 10.459 -2.361 1.00 0.00 H new ATOM 0 HG22 VAL A 51 10.695 9.391 -1.264 1.00 0.00 H new ATOM 0 HG23 VAL A 51 11.802 10.616 -0.599 1.00 0.00 H new ATOM 771 N GLU A 52 15.090 7.186 -0.140 1.00 0.00 N ATOM 772 CA GLU A 52 16.091 6.135 -0.205 1.00 0.00 C ATOM 773 C GLU A 52 15.999 5.237 1.030 1.00 0.00 C ATOM 774 O GLU A 52 16.251 4.036 0.949 1.00 0.00 O ATOM 775 CB GLU A 52 17.495 6.723 -0.353 1.00 0.00 C ATOM 776 CG GLU A 52 18.368 6.369 0.853 1.00 0.00 C ATOM 777 CD GLU A 52 19.714 7.093 0.788 1.00 0.00 C ATOM 778 OE1 GLU A 52 19.690 8.310 0.505 1.00 0.00 O ATOM 779 OE2 GLU A 52 20.736 6.413 1.022 1.00 0.00 O ATOM 0 H GLU A 52 15.466 8.127 -0.022 1.00 0.00 H new ATOM 0 HA GLU A 52 15.894 5.526 -1.087 1.00 0.00 H new ATOM 0 HB2 GLU A 52 17.957 6.345 -1.265 1.00 0.00 H new ATOM 0 HB3 GLU A 52 17.431 7.806 -0.454 1.00 0.00 H new ATOM 0 HG2 GLU A 52 17.850 6.639 1.773 1.00 0.00 H new ATOM 0 HG3 GLU A 52 18.532 5.292 0.884 1.00 0.00 H new ATOM 786 N GLN A 53 15.638 5.854 2.146 1.00 0.00 N ATOM 787 CA GLN A 53 15.510 5.126 3.396 1.00 0.00 C ATOM 788 C GLN A 53 14.301 4.190 3.345 1.00 0.00 C ATOM 789 O GLN A 53 14.337 3.093 3.898 1.00 0.00 O ATOM 790 CB GLN A 53 15.410 6.087 4.583 1.00 0.00 C ATOM 791 CG GLN A 53 16.793 6.387 5.165 1.00 0.00 C ATOM 792 CD GLN A 53 16.830 6.095 6.666 1.00 0.00 C ATOM 793 OE1 GLN A 53 16.461 5.027 7.126 1.00 0.00 O ATOM 794 NE2 GLN A 53 17.296 7.100 7.401 1.00 0.00 N ATOM 0 H GLN A 53 15.430 6.851 2.210 1.00 0.00 H new ATOM 0 HA GLN A 53 16.406 4.522 3.534 1.00 0.00 H new ATOM 0 HB2 GLN A 53 14.937 7.016 4.264 1.00 0.00 H new ATOM 0 HB3 GLN A 53 14.774 5.653 5.354 1.00 0.00 H new ATOM 0 HG2 GLN A 53 17.545 5.785 4.655 1.00 0.00 H new ATOM 0 HG3 GLN A 53 17.048 7.432 4.988 1.00 0.00 H new ATOM 0 HE21 GLN A 53 17.588 7.968 6.952 1.00 0.00 H new ATOM 0 HE22 GLN A 53 17.361 7.003 8.414 1.00 0.00 H new ATOM 803 N PHE A 54 13.258 4.659 2.675 1.00 0.00 N ATOM 804 CA PHE A 54 12.040 3.878 2.544 1.00 0.00 C ATOM 805 C PHE A 54 12.270 2.647 1.666 1.00 0.00 C ATOM 806 O PHE A 54 11.889 1.537 2.035 1.00 0.00 O ATOM 807 CB PHE A 54 11.001 4.780 1.875 1.00 0.00 C ATOM 808 CG PHE A 54 9.592 4.183 1.836 1.00 0.00 C ATOM 809 CD1 PHE A 54 8.753 4.351 2.893 1.00 0.00 C ATOM 810 CD2 PHE A 54 9.180 3.484 0.744 1.00 0.00 C ATOM 811 CE1 PHE A 54 7.446 3.797 2.856 1.00 0.00 C ATOM 812 CE2 PHE A 54 7.873 2.930 0.708 1.00 0.00 C ATOM 813 CZ PHE A 54 7.033 3.099 1.765 1.00 0.00 C ATOM 0 H PHE A 54 13.232 5.570 2.217 1.00 0.00 H new ATOM 0 HA PHE A 54 11.710 3.535 3.525 1.00 0.00 H new ATOM 0 HB2 PHE A 54 10.967 5.732 2.404 1.00 0.00 H new ATOM 0 HB3 PHE A 54 11.323 4.993 0.856 1.00 0.00 H new ATOM 0 HD1 PHE A 54 9.081 4.905 3.760 1.00 0.00 H new ATOM 0 HD2 PHE A 54 9.847 3.351 -0.095 1.00 0.00 H new ATOM 0 HE1 PHE A 54 6.780 3.930 3.695 1.00 0.00 H new ATOM 0 HE2 PHE A 54 7.546 2.374 -0.158 1.00 0.00 H new ATOM 0 HZ PHE A 54 6.039 2.679 1.737 1.00 0.00 H new ATOM 823 N CYS A 55 12.893 2.884 0.521 1.00 0.00 N ATOM 824 CA CYS A 55 13.179 1.808 -0.413 1.00 0.00 C ATOM 825 C CYS A 55 14.076 0.787 0.290 1.00 0.00 C ATOM 826 O CYS A 55 13.848 -0.417 0.192 1.00 0.00 O ATOM 827 CB CYS A 55 13.813 2.331 -1.703 1.00 0.00 C ATOM 828 SG CYS A 55 14.354 0.930 -2.748 1.00 0.00 S ATOM 0 H CYS A 55 13.208 3.806 0.219 1.00 0.00 H new ATOM 0 HA CYS A 55 12.248 1.327 -0.713 1.00 0.00 H new ATOM 0 HB2 CYS A 55 13.096 2.945 -2.247 1.00 0.00 H new ATOM 0 HB3 CYS A 55 14.665 2.969 -1.467 1.00 0.00 H new ATOM 0 HG CYS A 55 13.578 0.839 -3.787 1.00 0.00 H new ATOM 834 N ALA A 56 15.078 1.307 0.985 1.00 0.00 N ATOM 835 CA ALA A 56 16.011 0.456 1.704 1.00 0.00 C ATOM 836 C ALA A 56 15.232 -0.467 2.643 1.00 0.00 C ATOM 837 O ALA A 56 15.745 -1.501 3.069 1.00 0.00 O ATOM 838 CB ALA A 56 17.025 1.326 2.450 1.00 0.00 C ATOM 0 H ALA A 56 15.264 2.307 1.065 1.00 0.00 H new ATOM 0 HA ALA A 56 16.569 -0.173 1.011 1.00 0.00 H new ATOM 0 HB1 ALA A 56 17.725 0.688 2.989 1.00 0.00 H new ATOM 0 HB2 ALA A 56 17.572 1.941 1.736 1.00 0.00 H new ATOM 0 HB3 ALA A 56 16.502 1.969 3.157 1.00 0.00 H new ATOM 844 N GLU A 57 14.006 -0.060 2.939 1.00 0.00 N ATOM 845 CA GLU A 57 13.152 -0.838 3.820 1.00 0.00 C ATOM 846 C GLU A 57 12.176 -1.685 3.001 1.00 0.00 C ATOM 847 O GLU A 57 12.300 -2.907 2.950 1.00 0.00 O ATOM 848 CB GLU A 57 12.403 0.069 4.799 1.00 0.00 C ATOM 849 CG GLU A 57 12.975 -0.060 6.212 1.00 0.00 C ATOM 850 CD GLU A 57 11.935 0.337 7.262 1.00 0.00 C ATOM 851 OE1 GLU A 57 11.062 -0.512 7.546 1.00 0.00 O ATOM 852 OE2 GLU A 57 12.037 1.480 7.758 1.00 0.00 O ATOM 0 H GLU A 57 13.584 0.798 2.584 1.00 0.00 H new ATOM 0 HA GLU A 57 13.781 -1.508 4.406 1.00 0.00 H new ATOM 0 HB2 GLU A 57 12.473 1.105 4.467 1.00 0.00 H new ATOM 0 HB3 GLU A 57 11.345 -0.192 4.806 1.00 0.00 H new ATOM 0 HG2 GLU A 57 13.299 -1.086 6.385 1.00 0.00 H new ATOM 0 HG3 GLU A 57 13.857 0.573 6.311 1.00 0.00 H new ATOM 859 N THR A 58 11.226 -1.001 2.380 1.00 0.00 N ATOM 860 CA THR A 58 10.228 -1.675 1.566 1.00 0.00 C ATOM 861 C THR A 58 10.884 -2.311 0.339 1.00 0.00 C ATOM 862 O THR A 58 10.703 -3.500 0.080 1.00 0.00 O ATOM 863 CB THR A 58 9.139 -0.659 1.216 1.00 0.00 C ATOM 864 OG1 THR A 58 9.852 0.557 1.007 1.00 0.00 O ATOM 865 CG2 THR A 58 8.220 -0.354 2.400 1.00 0.00 C ATOM 0 H THR A 58 11.126 0.013 2.424 1.00 0.00 H new ATOM 0 HA THR A 58 9.762 -2.497 2.110 1.00 0.00 H new ATOM 0 HB THR A 58 8.545 -1.037 0.384 1.00 0.00 H new ATOM 0 HG1 THR A 58 9.232 1.314 1.065 1.00 0.00 H new ATOM 0 HG21 THR A 58 7.466 0.372 2.097 1.00 0.00 H new ATOM 0 HG22 THR A 58 7.730 -1.271 2.726 1.00 0.00 H new ATOM 0 HG23 THR A 58 8.808 0.055 3.221 1.00 0.00 H new ATOM 873 N GLY A 59 11.631 -1.491 -0.385 1.00 0.00 N ATOM 874 CA GLY A 59 12.314 -1.958 -1.580 1.00 0.00 C ATOM 875 C GLY A 59 11.700 -1.343 -2.839 1.00 0.00 C ATOM 876 O GLY A 59 12.080 -1.695 -3.954 1.00 0.00 O ATOM 0 H GLY A 59 11.779 -0.505 -0.167 1.00 0.00 H new ATOM 0 HA2 GLY A 59 13.371 -1.699 -1.523 1.00 0.00 H new ATOM 0 HA3 GLY A 59 12.254 -3.045 -1.636 1.00 0.00 H new ATOM 880 N VAL A 60 10.761 -0.435 -2.617 1.00 0.00 N ATOM 881 CA VAL A 60 10.091 0.233 -3.720 1.00 0.00 C ATOM 882 C VAL A 60 11.060 1.215 -4.381 1.00 0.00 C ATOM 883 O VAL A 60 11.846 1.871 -3.699 1.00 0.00 O ATOM 884 CB VAL A 60 8.807 0.901 -3.225 1.00 0.00 C ATOM 885 CG1 VAL A 60 8.151 1.720 -4.338 1.00 0.00 C ATOM 886 CG2 VAL A 60 7.833 -0.134 -2.659 1.00 0.00 C ATOM 0 H VAL A 60 10.448 -0.146 -1.690 1.00 0.00 H new ATOM 0 HA VAL A 60 9.793 -0.490 -4.480 1.00 0.00 H new ATOM 0 HB VAL A 60 9.075 1.585 -2.419 1.00 0.00 H new ATOM 0 HG11 VAL A 60 7.240 2.184 -3.960 1.00 0.00 H new ATOM 0 HG12 VAL A 60 8.840 2.494 -4.674 1.00 0.00 H new ATOM 0 HG13 VAL A 60 7.904 1.066 -5.174 1.00 0.00 H new ATOM 0 HG21 VAL A 60 6.929 0.368 -2.314 1.00 0.00 H new ATOM 0 HG22 VAL A 60 7.575 -0.854 -3.436 1.00 0.00 H new ATOM 0 HG23 VAL A 60 8.300 -0.654 -1.823 1.00 0.00 H new ATOM 896 N ARG A 61 10.973 1.285 -5.701 1.00 0.00 N ATOM 897 CA ARG A 61 11.832 2.177 -6.462 1.00 0.00 C ATOM 898 C ARG A 61 11.260 3.596 -6.460 1.00 0.00 C ATOM 899 O ARG A 61 10.068 3.788 -6.695 1.00 0.00 O ATOM 900 CB ARG A 61 11.982 1.697 -7.907 1.00 0.00 C ATOM 901 CG ARG A 61 12.694 0.344 -7.964 1.00 0.00 C ATOM 902 CD ARG A 61 13.294 0.098 -9.350 1.00 0.00 C ATOM 903 NE ARG A 61 14.528 -0.711 -9.231 1.00 0.00 N ATOM 904 CZ ARG A 61 15.190 -1.228 -10.274 1.00 0.00 C ATOM 905 NH1 ARG A 61 14.742 -1.024 -11.520 1.00 0.00 N ATOM 906 NH2 ARG A 61 16.301 -1.950 -10.072 1.00 0.00 N ATOM 0 H ARG A 61 10.321 0.739 -6.263 1.00 0.00 H new ATOM 0 HA ARG A 61 12.813 2.177 -5.987 1.00 0.00 H new ATOM 0 HB2 ARG A 61 10.999 1.614 -8.370 1.00 0.00 H new ATOM 0 HB3 ARG A 61 12.545 2.433 -8.482 1.00 0.00 H new ATOM 0 HG2 ARG A 61 13.482 0.312 -7.212 1.00 0.00 H new ATOM 0 HG3 ARG A 61 11.990 -0.452 -7.722 1.00 0.00 H new ATOM 0 HD2 ARG A 61 12.571 -0.417 -9.982 1.00 0.00 H new ATOM 0 HD3 ARG A 61 13.518 1.049 -9.832 1.00 0.00 H new ATOM 0 HE ARG A 61 14.897 -0.886 -8.296 1.00 0.00 H new ATOM 0 HH11 ARG A 61 13.896 -0.475 -11.674 1.00 0.00 H new ATOM 0 HH12 ARG A 61 15.246 -1.418 -12.314 1.00 0.00 H new ATOM 0 HH21 ARG A 61 16.643 -2.106 -9.124 1.00 0.00 H new ATOM 0 HH22 ARG A 61 16.805 -2.344 -10.867 1.00 0.00 H new ATOM 920 N ARG A 62 12.136 4.552 -6.191 1.00 0.00 N ATOM 921 CA ARG A 62 11.733 5.948 -6.155 1.00 0.00 C ATOM 922 C ARG A 62 10.718 6.236 -7.263 1.00 0.00 C ATOM 923 O ARG A 62 9.671 6.831 -7.012 1.00 0.00 O ATOM 924 CB ARG A 62 12.939 6.874 -6.324 1.00 0.00 C ATOM 925 CG ARG A 62 12.509 8.342 -6.311 1.00 0.00 C ATOM 926 CD ARG A 62 13.591 9.236 -6.920 1.00 0.00 C ATOM 927 NE ARG A 62 13.360 9.391 -8.374 1.00 0.00 N ATOM 928 CZ ARG A 62 14.147 10.109 -9.187 1.00 0.00 C ATOM 929 NH1 ARG A 62 15.219 10.743 -8.693 1.00 0.00 N ATOM 930 NH2 ARG A 62 13.861 10.194 -10.493 1.00 0.00 N ATOM 0 H ARG A 62 13.124 4.388 -5.996 1.00 0.00 H new ATOM 0 HA ARG A 62 11.278 6.137 -5.183 1.00 0.00 H new ATOM 0 HB2 ARG A 62 13.655 6.694 -5.522 1.00 0.00 H new ATOM 0 HB3 ARG A 62 13.447 6.648 -7.262 1.00 0.00 H new ATOM 0 HG2 ARG A 62 11.580 8.457 -6.870 1.00 0.00 H new ATOM 0 HG3 ARG A 62 12.306 8.656 -5.287 1.00 0.00 H new ATOM 0 HD2 ARG A 62 13.583 10.213 -6.436 1.00 0.00 H new ATOM 0 HD3 ARG A 62 14.575 8.801 -6.744 1.00 0.00 H new ATOM 0 HE ARG A 62 12.551 8.922 -8.782 1.00 0.00 H new ATOM 0 HH11 ARG A 62 15.436 10.679 -7.698 1.00 0.00 H new ATOM 0 HH12 ARG A 62 15.818 11.290 -9.312 1.00 0.00 H new ATOM 0 HH21 ARG A 62 13.044 9.712 -10.869 1.00 0.00 H new ATOM 0 HH22 ARG A 62 14.460 10.741 -11.112 1.00 0.00 H new ATOM 944 N GLN A 63 11.063 5.799 -8.466 1.00 0.00 N ATOM 945 CA GLN A 63 10.194 6.003 -9.613 1.00 0.00 C ATOM 946 C GLN A 63 8.841 5.328 -9.380 1.00 0.00 C ATOM 947 O GLN A 63 7.795 5.923 -9.636 1.00 0.00 O ATOM 948 CB GLN A 63 10.851 5.488 -10.895 1.00 0.00 C ATOM 949 CG GLN A 63 10.572 3.996 -11.093 1.00 0.00 C ATOM 950 CD GLN A 63 11.224 3.482 -12.378 1.00 0.00 C ATOM 951 OE1 GLN A 63 10.607 3.397 -13.427 1.00 0.00 O ATOM 952 NE2 GLN A 63 12.503 3.146 -12.238 1.00 0.00 N ATOM 0 H GLN A 63 11.932 5.305 -8.671 1.00 0.00 H new ATOM 0 HA GLN A 63 10.027 7.073 -9.734 1.00 0.00 H new ATOM 0 HB2 GLN A 63 10.475 6.049 -11.751 1.00 0.00 H new ATOM 0 HB3 GLN A 63 11.927 5.658 -10.850 1.00 0.00 H new ATOM 0 HG2 GLN A 63 10.951 3.435 -10.239 1.00 0.00 H new ATOM 0 HG3 GLN A 63 9.496 3.826 -11.134 1.00 0.00 H new ATOM 0 HE21 GLN A 63 12.959 3.242 -11.331 1.00 0.00 H new ATOM 0 HE22 GLN A 63 13.028 2.792 -13.038 1.00 0.00 H new ATOM 961 N VAL A 64 8.905 4.096 -8.898 1.00 0.00 N ATOM 962 CA VAL A 64 7.697 3.334 -8.629 1.00 0.00 C ATOM 963 C VAL A 64 6.919 4.004 -7.494 1.00 0.00 C ATOM 964 O VAL A 64 5.708 4.193 -7.594 1.00 0.00 O ATOM 965 CB VAL A 64 8.054 1.877 -8.329 1.00 0.00 C ATOM 966 CG1 VAL A 64 6.795 1.046 -8.074 1.00 0.00 C ATOM 967 CG2 VAL A 64 8.889 1.273 -9.460 1.00 0.00 C ATOM 0 H VAL A 64 9.774 3.606 -8.687 1.00 0.00 H new ATOM 0 HA VAL A 64 7.049 3.323 -9.506 1.00 0.00 H new ATOM 0 HB VAL A 64 8.657 1.860 -7.421 1.00 0.00 H new ATOM 0 HG11 VAL A 64 7.077 0.014 -7.863 1.00 0.00 H new ATOM 0 HG12 VAL A 64 6.255 1.456 -7.221 1.00 0.00 H new ATOM 0 HG13 VAL A 64 6.155 1.075 -8.956 1.00 0.00 H new ATOM 0 HG21 VAL A 64 9.129 0.237 -9.222 1.00 0.00 H new ATOM 0 HG22 VAL A 64 8.322 1.309 -10.390 1.00 0.00 H new ATOM 0 HG23 VAL A 64 9.812 1.842 -9.575 1.00 0.00 H new ATOM 977 N LEU A 65 7.648 4.346 -6.442 1.00 0.00 N ATOM 978 CA LEU A 65 7.041 4.992 -5.290 1.00 0.00 C ATOM 979 C LEU A 65 6.444 6.334 -5.718 1.00 0.00 C ATOM 980 O LEU A 65 5.270 6.603 -5.469 1.00 0.00 O ATOM 981 CB LEU A 65 8.050 5.105 -4.146 1.00 0.00 C ATOM 982 CG LEU A 65 7.714 6.122 -3.053 1.00 0.00 C ATOM 983 CD1 LEU A 65 6.503 5.668 -2.236 1.00 0.00 C ATOM 984 CD2 LEU A 65 8.931 6.397 -2.168 1.00 0.00 C ATOM 0 H LEU A 65 8.653 4.188 -6.363 1.00 0.00 H new ATOM 0 HA LEU A 65 6.221 4.387 -4.903 1.00 0.00 H new ATOM 0 HB2 LEU A 65 8.155 4.124 -3.682 1.00 0.00 H new ATOM 0 HB3 LEU A 65 9.021 5.363 -4.569 1.00 0.00 H new ATOM 0 HG LEU A 65 7.445 7.063 -3.533 1.00 0.00 H new ATOM 0 HD11 LEU A 65 6.285 6.408 -1.466 1.00 0.00 H new ATOM 0 HD12 LEU A 65 5.640 5.563 -2.893 1.00 0.00 H new ATOM 0 HD13 LEU A 65 6.720 4.709 -1.766 1.00 0.00 H new ATOM 0 HD21 LEU A 65 8.665 7.123 -1.399 1.00 0.00 H new ATOM 0 HD22 LEU A 65 9.254 5.470 -1.695 1.00 0.00 H new ATOM 0 HD23 LEU A 65 9.742 6.795 -2.778 1.00 0.00 H new ATOM 996 N LYS A 66 7.280 7.141 -6.355 1.00 0.00 N ATOM 997 CA LYS A 66 6.849 8.448 -6.820 1.00 0.00 C ATOM 998 C LYS A 66 5.591 8.291 -7.677 1.00 0.00 C ATOM 999 O LYS A 66 4.568 8.918 -7.404 1.00 0.00 O ATOM 1000 CB LYS A 66 7.995 9.166 -7.536 1.00 0.00 C ATOM 1001 CG LYS A 66 7.654 10.638 -7.778 1.00 0.00 C ATOM 1002 CD LYS A 66 8.741 11.323 -8.609 1.00 0.00 C ATOM 1003 CE LYS A 66 8.127 12.145 -9.744 1.00 0.00 C ATOM 1004 NZ LYS A 66 9.178 12.603 -10.679 1.00 0.00 N ATOM 0 H LYS A 66 8.253 6.915 -6.560 1.00 0.00 H new ATOM 0 HA LYS A 66 6.582 9.084 -5.976 1.00 0.00 H new ATOM 0 HB2 LYS A 66 8.904 9.093 -6.939 1.00 0.00 H new ATOM 0 HB3 LYS A 66 8.198 8.675 -8.488 1.00 0.00 H new ATOM 0 HG2 LYS A 66 6.696 10.713 -8.293 1.00 0.00 H new ATOM 0 HG3 LYS A 66 7.544 11.151 -6.823 1.00 0.00 H new ATOM 0 HD2 LYS A 66 9.339 11.971 -7.968 1.00 0.00 H new ATOM 0 HD3 LYS A 66 9.415 10.573 -9.022 1.00 0.00 H new ATOM 0 HE2 LYS A 66 7.392 11.544 -10.280 1.00 0.00 H new ATOM 0 HE3 LYS A 66 7.598 13.005 -9.333 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 8.744 13.159 -11.443 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 9.864 13.194 -10.167 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 9.665 11.778 -11.085 1.00 0.00 H new ATOM 1018 N ILE A 67 5.708 7.451 -8.695 1.00 0.00 N ATOM 1019 CA ILE A 67 4.593 7.204 -9.593 1.00 0.00 C ATOM 1020 C ILE A 67 3.434 6.593 -8.803 1.00 0.00 C ATOM 1021 O ILE A 67 2.270 6.879 -9.080 1.00 0.00 O ATOM 1022 CB ILE A 67 5.042 6.355 -10.783 1.00 0.00 C ATOM 1023 CG1 ILE A 67 6.247 6.986 -11.484 1.00 0.00 C ATOM 1024 CG2 ILE A 67 3.881 6.107 -11.749 1.00 0.00 C ATOM 1025 CD1 ILE A 67 7.118 5.917 -12.147 1.00 0.00 C ATOM 0 H ILE A 67 6.558 6.933 -8.918 1.00 0.00 H new ATOM 0 HA ILE A 67 4.231 8.140 -10.018 1.00 0.00 H new ATOM 0 HB ILE A 67 5.361 5.383 -10.408 1.00 0.00 H new ATOM 0 HG12 ILE A 67 5.904 7.698 -12.235 1.00 0.00 H new ATOM 0 HG13 ILE A 67 6.840 7.547 -10.761 1.00 0.00 H new ATOM 0 HG21 ILE A 67 4.227 5.501 -12.586 1.00 0.00 H new ATOM 0 HG22 ILE A 67 3.080 5.582 -11.228 1.00 0.00 H new ATOM 0 HG23 ILE A 67 3.508 7.061 -12.122 1.00 0.00 H new ATOM 0 HD11 ILE A 67 7.967 6.393 -12.638 1.00 0.00 H new ATOM 0 HD12 ILE A 67 7.480 5.221 -11.390 1.00 0.00 H new ATOM 0 HD13 ILE A 67 6.529 5.375 -12.886 1.00 0.00 H new ATOM 1037 N TRP A 68 3.792 5.761 -7.836 1.00 0.00 N ATOM 1038 CA TRP A 68 2.797 5.107 -7.004 1.00 0.00 C ATOM 1039 C TRP A 68 1.960 6.193 -6.325 1.00 0.00 C ATOM 1040 O TRP A 68 0.735 6.097 -6.273 1.00 0.00 O ATOM 1041 CB TRP A 68 3.456 4.150 -6.009 1.00 0.00 C ATOM 1042 CG TRP A 68 2.481 3.516 -5.015 1.00 0.00 C ATOM 1043 CD1 TRP A 68 1.948 2.287 -5.052 1.00 0.00 C ATOM 1044 CD2 TRP A 68 1.941 4.134 -3.828 1.00 0.00 C ATOM 1045 NE1 TRP A 68 1.107 2.068 -3.980 1.00 0.00 N ATOM 1046 CE2 TRP A 68 1.103 3.227 -3.212 1.00 0.00 C ATOM 1047 CE3 TRP A 68 2.153 5.416 -3.293 1.00 0.00 C ATOM 1048 CZ2 TRP A 68 0.410 3.505 -2.027 1.00 0.00 C ATOM 1049 CZ3 TRP A 68 1.454 5.679 -2.109 1.00 0.00 C ATOM 1050 CH2 TRP A 68 0.607 4.777 -1.476 1.00 0.00 C ATOM 0 H TRP A 68 4.758 5.525 -7.610 1.00 0.00 H new ATOM 0 HA TRP A 68 2.137 4.486 -7.610 1.00 0.00 H new ATOM 0 HB2 TRP A 68 3.961 3.358 -6.562 1.00 0.00 H new ATOM 0 HB3 TRP A 68 4.223 4.690 -5.455 1.00 0.00 H new ATOM 0 HD1 TRP A 68 2.151 1.559 -5.824 1.00 0.00 H new ATOM 0 HE1 TRP A 68 0.585 1.213 -3.787 1.00 0.00 H new ATOM 0 HE3 TRP A 68 2.804 6.141 -3.759 1.00 0.00 H new ATOM 0 HZ2 TRP A 68 -0.241 2.778 -1.564 1.00 0.00 H new ATOM 0 HZ3 TRP A 68 1.582 6.651 -1.656 1.00 0.00 H new ATOM 0 HH2 TRP A 68 0.103 5.056 -0.563 1.00 0.00 H new ATOM 1061 N MET A 69 2.656 7.201 -5.820 1.00 0.00 N ATOM 1062 CA MET A 69 1.993 8.304 -5.146 1.00 0.00 C ATOM 1063 C MET A 69 1.107 9.087 -6.117 1.00 0.00 C ATOM 1064 O MET A 69 -0.078 9.291 -5.856 1.00 0.00 O ATOM 1065 CB MET A 69 3.042 9.241 -4.544 1.00 0.00 C ATOM 1066 CG MET A 69 3.708 8.605 -3.322 1.00 0.00 C ATOM 1067 SD MET A 69 4.191 9.872 -2.162 1.00 0.00 S ATOM 1068 CE MET A 69 5.905 10.073 -2.618 1.00 0.00 C ATOM 0 H MET A 69 3.672 7.277 -5.864 1.00 0.00 H new ATOM 0 HA MET A 69 1.363 7.895 -4.356 1.00 0.00 H new ATOM 0 HB2 MET A 69 3.798 9.476 -5.293 1.00 0.00 H new ATOM 0 HB3 MET A 69 2.573 10.182 -4.258 1.00 0.00 H new ATOM 0 HG2 MET A 69 3.020 7.907 -2.845 1.00 0.00 H new ATOM 0 HG3 MET A 69 4.582 8.031 -3.631 1.00 0.00 H new ATOM 0 HE1 MET A 69 6.385 10.768 -1.930 1.00 0.00 H new ATOM 0 HE2 MET A 69 6.410 9.108 -2.570 1.00 0.00 H new ATOM 0 HE3 MET A 69 5.968 10.465 -3.633 1.00 0.00 H new ATOM 1078 N HIS A 70 1.715 9.506 -7.217 1.00 0.00 N ATOM 1079 CA HIS A 70 0.996 10.262 -8.229 1.00 0.00 C ATOM 1080 C HIS A 70 -0.198 9.446 -8.728 1.00 0.00 C ATOM 1081 O HIS A 70 -1.185 10.008 -9.199 1.00 0.00 O ATOM 1082 CB HIS A 70 1.936 10.689 -9.358 1.00 0.00 C ATOM 1083 CG HIS A 70 1.284 11.565 -10.401 1.00 0.00 C ATOM 1084 ND1 HIS A 70 1.214 12.942 -10.286 1.00 0.00 N ATOM 1085 CD2 HIS A 70 0.676 11.245 -11.579 1.00 0.00 C ATOM 1086 CE1 HIS A 70 0.588 13.419 -11.352 1.00 0.00 C ATOM 1087 NE2 HIS A 70 0.255 12.366 -12.152 1.00 0.00 N ATOM 0 H HIS A 70 2.698 9.336 -7.430 1.00 0.00 H new ATOM 0 HA HIS A 70 0.606 11.181 -7.792 1.00 0.00 H new ATOM 0 HB2 HIS A 70 2.784 11.222 -8.929 1.00 0.00 H new ATOM 0 HB3 HIS A 70 2.333 9.797 -9.843 1.00 0.00 H new ATOM 0 HD2 HIS A 70 0.557 10.249 -11.978 1.00 0.00 H new ATOM 0 HE1 HIS A 70 0.378 14.459 -11.552 1.00 0.00 H new ATOM 0 HE2 HIS A 70 -0.236 12.429 -13.044 1.00 0.00 H new ATOM 1095 N ASN A 71 -0.068 8.133 -8.608 1.00 0.00 N ATOM 1096 CA ASN A 71 -1.123 7.233 -9.041 1.00 0.00 C ATOM 1097 C ASN A 71 -2.201 7.160 -7.958 1.00 0.00 C ATOM 1098 O ASN A 71 -3.306 6.681 -8.208 1.00 0.00 O ATOM 1099 CB ASN A 71 -0.584 5.819 -9.267 1.00 0.00 C ATOM 1100 CG ASN A 71 -0.293 5.575 -10.749 1.00 0.00 C ATOM 1101 OD1 ASN A 71 -0.778 4.635 -11.357 1.00 0.00 O ATOM 1102 ND2 ASN A 71 0.525 6.471 -11.295 1.00 0.00 N ATOM 0 H ASN A 71 0.753 7.671 -8.217 1.00 0.00 H new ATOM 0 HA ASN A 71 -1.530 7.617 -9.976 1.00 0.00 H new ATOM 0 HB2 ASN A 71 0.327 5.676 -8.685 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -1.309 5.088 -8.910 1.00 0.00 H new ATOM 0 HD21 ASN A 71 0.781 6.395 -12.279 1.00 0.00 H new ATOM 0 HD22 ASN A 71 0.896 7.234 -10.729 1.00 0.00 H new ATOM 1109 N ASN A 72 -1.842 7.642 -6.777 1.00 0.00 N ATOM 1110 CA ASN A 72 -2.765 7.637 -5.654 1.00 0.00 C ATOM 1111 C ASN A 72 -3.418 9.015 -5.531 1.00 0.00 C ATOM 1112 O ASN A 72 -4.608 9.169 -5.803 1.00 0.00 O ATOM 1113 CB ASN A 72 -2.035 7.340 -4.343 1.00 0.00 C ATOM 1114 CG ASN A 72 -1.989 5.836 -4.069 1.00 0.00 C ATOM 1115 OD1 ASN A 72 -2.879 5.260 -3.466 1.00 0.00 O ATOM 1116 ND2 ASN A 72 -0.903 5.233 -4.546 1.00 0.00 N ATOM 0 H ASN A 72 -0.925 8.039 -6.573 1.00 0.00 H new ATOM 0 HA ASN A 72 -3.512 6.863 -5.834 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -1.020 7.736 -4.390 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -2.537 7.848 -3.520 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -0.778 4.229 -4.416 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -0.195 5.775 -5.042 1.00 0.00 H new ATOM 1123 N LYS A 73 -2.611 9.982 -5.120 1.00 0.00 N ATOM 1124 CA LYS A 73 -3.096 11.342 -4.957 1.00 0.00 C ATOM 1125 C LYS A 73 -4.018 11.694 -6.126 1.00 0.00 C ATOM 1126 O LYS A 73 -5.086 12.272 -5.928 1.00 0.00 O ATOM 1127 CB LYS A 73 -1.925 12.312 -4.784 1.00 0.00 C ATOM 1128 CG LYS A 73 -0.801 11.995 -5.773 1.00 0.00 C ATOM 1129 CD LYS A 73 -0.472 13.213 -6.638 1.00 0.00 C ATOM 1130 CE LYS A 73 1.015 13.563 -6.550 1.00 0.00 C ATOM 1131 NZ LYS A 73 1.194 15.013 -6.317 1.00 0.00 N ATOM 0 H LYS A 73 -1.625 9.851 -4.895 1.00 0.00 H new ATOM 0 HA LYS A 73 -3.688 11.428 -4.046 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -2.270 13.335 -4.935 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -1.545 12.251 -3.764 1.00 0.00 H new ATOM 0 HG2 LYS A 73 0.089 11.680 -5.229 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -1.097 11.161 -6.410 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -0.741 13.010 -7.675 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -1.070 14.065 -6.315 1.00 0.00 H new ATOM 0 HE2 LYS A 73 1.480 12.999 -5.742 1.00 0.00 H new ATOM 0 HE3 LYS A 73 1.518 13.272 -7.472 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 2.209 15.233 -6.260 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 0.768 15.546 -7.102 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 0.731 15.281 -5.425 1.00 0.00 H new ATOM 1145 N ASN A 74 -3.572 11.332 -7.320 1.00 0.00 N ATOM 1146 CA ASN A 74 -4.343 11.602 -8.521 1.00 0.00 C ATOM 1147 C ASN A 74 -4.944 13.006 -8.431 1.00 0.00 C ATOM 1148 O ASN A 74 -6.122 13.162 -8.116 1.00 0.00 O ATOM 1149 CB ASN A 74 -5.494 10.604 -8.673 1.00 0.00 C ATOM 1150 CG ASN A 74 -5.121 9.481 -9.642 1.00 0.00 C ATOM 1151 OD1 ASN A 74 -3.890 9.007 -9.473 1.00 0.00 O flip ATOM 1152 ND2 ASN A 74 -5.900 9.071 -10.487 1.00 0.00 N flip ATOM 0 H ASN A 74 -2.686 10.854 -7.481 1.00 0.00 H new ATOM 0 HA ASN A 74 -3.674 11.515 -9.377 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -5.745 10.181 -7.700 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -6.383 11.121 -9.035 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -6.831 9.480 -10.563 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -5.620 8.320 -11.117 1.00 0.00 H new ATOM 1159 N SER A 75 -4.106 13.992 -8.714 1.00 0.00 N ATOM 1160 CA SER A 75 -4.539 15.379 -8.670 1.00 0.00 C ATOM 1161 C SER A 75 -3.473 16.281 -9.294 1.00 0.00 C ATOM 1162 O SER A 75 -2.494 15.793 -9.858 1.00 0.00 O ATOM 1163 CB SER A 75 -4.832 15.818 -7.233 1.00 0.00 C ATOM 1164 OG SER A 75 -6.231 15.901 -6.975 1.00 0.00 O ATOM 0 H SER A 75 -3.129 13.858 -8.975 1.00 0.00 H new ATOM 0 HA SER A 75 -5.461 15.468 -9.244 1.00 0.00 H new ATOM 0 HB2 SER A 75 -4.376 15.112 -6.538 1.00 0.00 H new ATOM 0 HB3 SER A 75 -4.371 16.789 -7.049 1.00 0.00 H new ATOM 0 HG SER A 75 -6.664 15.066 -7.250 1.00 0.00 H new ATOM 1170 N GLY A 76 -3.698 17.581 -9.172 1.00 0.00 N ATOM 1171 CA GLY A 76 -2.768 18.556 -9.717 1.00 0.00 C ATOM 1172 C GLY A 76 -3.496 19.577 -10.592 1.00 0.00 C ATOM 1173 O GLY A 76 -4.237 19.206 -11.501 1.00 0.00 O ATOM 0 H GLY A 76 -4.511 17.982 -8.704 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -2.255 19.069 -8.904 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -2.004 18.047 -10.305 1.00 0.00 H new ATOM 1177 N PRO A 77 -3.254 20.879 -10.280 1.00 0.00 N ATOM 1178 CA PRO A 77 -3.878 21.957 -11.028 1.00 0.00 C ATOM 1179 C PRO A 77 -3.219 22.127 -12.398 1.00 0.00 C ATOM 1180 O PRO A 77 -2.611 23.160 -12.674 1.00 0.00 O ATOM 1181 CB PRO A 77 -3.734 23.184 -10.143 1.00 0.00 C ATOM 1182 CG PRO A 77 -2.633 22.854 -9.148 1.00 0.00 C ATOM 1183 CD PRO A 77 -2.382 21.356 -9.210 1.00 0.00 C ATOM 0 HA PRO A 77 -4.927 21.763 -11.250 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -3.476 24.063 -10.733 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -4.670 23.408 -9.630 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -1.723 23.404 -9.389 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -2.927 23.150 -8.141 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -1.336 21.138 -9.425 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -2.620 20.875 -8.261 1.00 0.00 H new ATOM 1191 N SER A 78 -3.361 21.097 -13.220 1.00 0.00 N ATOM 1192 CA SER A 78 -2.787 21.120 -14.554 1.00 0.00 C ATOM 1193 C SER A 78 -3.900 21.091 -15.603 1.00 0.00 C ATOM 1194 O SER A 78 -4.690 20.150 -15.650 1.00 0.00 O ATOM 1195 CB SER A 78 -1.831 19.944 -14.762 1.00 0.00 C ATOM 1196 OG SER A 78 -0.658 20.060 -13.961 1.00 0.00 O ATOM 0 H SER A 78 -3.865 20.241 -12.987 1.00 0.00 H new ATOM 0 HA SER A 78 -2.216 22.042 -14.665 1.00 0.00 H new ATOM 0 HB2 SER A 78 -2.344 19.013 -14.521 1.00 0.00 H new ATOM 0 HB3 SER A 78 -1.548 19.889 -15.813 1.00 0.00 H new ATOM 0 HG SER A 78 -0.075 19.289 -14.122 1.00 0.00 H new ATOM 1202 N SER A 79 -3.926 22.134 -16.420 1.00 0.00 N ATOM 1203 CA SER A 79 -4.930 22.240 -17.466 1.00 0.00 C ATOM 1204 C SER A 79 -6.302 21.846 -16.916 1.00 0.00 C ATOM 1205 O SER A 79 -6.710 20.690 -17.027 1.00 0.00 O ATOM 1206 CB SER A 79 -4.567 21.366 -18.667 1.00 0.00 C ATOM 1207 OG SER A 79 -4.573 19.979 -18.340 1.00 0.00 O ATOM 0 H SER A 79 -3.269 22.913 -16.379 1.00 0.00 H new ATOM 0 HA SER A 79 -4.966 23.276 -17.803 1.00 0.00 H new ATOM 0 HB2 SER A 79 -5.274 21.551 -19.476 1.00 0.00 H new ATOM 0 HB3 SER A 79 -3.580 21.647 -19.035 1.00 0.00 H new ATOM 0 HG SER A 79 -5.142 19.830 -17.556 1.00 0.00 H new ATOM 1213 N GLY A 80 -6.977 22.827 -16.336 1.00 0.00 N ATOM 1214 CA GLY A 80 -8.294 22.597 -15.770 1.00 0.00 C ATOM 1215 C GLY A 80 -9.372 22.630 -16.855 1.00 0.00 C ATOM 1216 O GLY A 80 -9.276 23.404 -17.806 1.00 0.00 O ATOM 0 H GLY A 80 -6.636 23.784 -16.246 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -8.312 21.632 -15.264 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -8.508 23.356 -15.017 1.00 0.00 H new TER 1220 GLY A 80