USER MOD reduce.3.24.130724 H: found=0, std=0, add=828, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 828 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 111 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 129 GLN : amide:sc= -0.243 K(o=-0.24,f=-1.2) USER MOD Set 2.1: A 84 THR OG1 : rot -40:sc= 0.91 USER MOD Set 2.2: A 108 ASN : amide:sc= 0 X(o=0.91,f=0.82) USER MOD Set 3.1: A 89 HIS : no HD1:sc= -0.228 K(o=0.96,f=-1.5) USER MOD Set 3.2: A 110 THR OG1 : rot 89:sc= 1.19 USER MOD Single : A 5 ASN : amide:sc= 0 X(o=0,f=-0.045) USER MOD Single : A 7 THR OG1 : rot 38:sc= 0.0744 USER MOD Single : A 11 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot -69:sc= 0.825 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot 69:sc= 0.952 USER MOD Single : A 52 LYS NZ :NH3+ -170:sc=-0.00262 (180deg=-0.108) USER MOD Single : A 56 ASN : amide:sc= 1.1 K(o=1.1,f=-0.14) USER MOD Single : A 65 GLN : amide:sc= 1.68 K(o=1.7,f=-0.2) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 HIS : no HE2:sc= -1.16 K(o=-1.2,f=-2.9!) USER MOD Single : A 76 SER OG : rot -43:sc= 1.24 USER MOD Single : A 86 SER OG : rot -109:sc= 0.864 USER MOD Single : A 95 ASN : amide:sc= -0.481 K(o=-0.48,f=-2.5) USER MOD Single : A 106 SER OG : rot -43:sc= 1.31 USER MOD Single : A 113 ASN : amide:sc= -1.25 K(o=-1.2,f=-0.18) USER MOD Single : A 118 ASN : amide:sc= -0.0207 X(o=-0.021,f=0) USER MOD Single : A 120 GLN : amide:sc= -0.354 K(o=-0.35,f=-0.87) USER MOD Single : A 122 MET CE :methyl -153:sc= -0.74 (180deg=-1.54) USER MOD Single : A 123 GLN : amide:sc= 0 K(o=0,f=-0.6) USER MOD Single : A 124 THR OG1 : rot 47:sc= 0.14 USER MOD Single : A 132 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 57 N ASN A 5 -51.822 30.226 4.751 1.00 43.25 N ATOM 58 CA ASN A 5 -51.899 28.798 4.558 1.00 43.22 C ATOM 59 C ASN A 5 -51.618 28.114 5.870 1.00 61.40 C ATOM 60 O ASN A 5 -50.491 28.120 6.355 1.00 23.31 O ATOM 61 CB ASN A 5 -50.904 28.312 3.489 1.00 35.43 C ATOM 62 CG ASN A 5 -51.003 26.809 3.229 1.00 32.31 C ATOM 63 OD1 ASN A 5 -50.353 26.005 3.895 1.00 75.22 O ATOM 64 ND2 ASN A 5 -51.780 26.426 2.249 1.00 5.34 N ATOM 0 HA ASN A 5 -52.901 28.550 4.207 1.00 43.22 H new ATOM 0 HB2 ASN A 5 -51.086 28.850 2.559 1.00 35.43 H new ATOM 0 HB3 ASN A 5 -49.890 28.556 3.805 1.00 35.43 H new ATOM 0 HD21 ASN A 5 -51.860 25.436 2.019 1.00 5.34 H new ATOM 0 HD22 ASN A 5 -52.306 27.118 1.715 1.00 5.34 H new ATOM 71 N GLY A 6 -52.635 27.599 6.474 1.00 71.23 N ATOM 72 CA GLY A 6 -52.480 26.894 7.717 1.00 21.43 C ATOM 73 C GLY A 6 -53.562 25.887 7.863 1.00 4.23 C ATOM 74 O GLY A 6 -54.016 25.597 8.963 1.00 31.11 O ATOM 0 H GLY A 6 -53.594 27.650 6.130 1.00 71.23 H new ATOM 0 HA2 GLY A 6 -51.507 26.403 7.748 1.00 21.43 H new ATOM 0 HA3 GLY A 6 -52.510 27.596 8.550 1.00 21.43 H new ATOM 78 N THR A 7 -53.971 25.351 6.746 1.00 41.31 N ATOM 79 CA THR A 7 -55.036 24.408 6.683 1.00 72.31 C ATOM 80 C THR A 7 -54.562 23.031 7.177 1.00 21.15 C ATOM 81 O THR A 7 -53.496 22.552 6.753 1.00 40.34 O ATOM 82 CB THR A 7 -55.543 24.345 5.235 1.00 5.43 C ATOM 83 OG1 THR A 7 -54.403 24.368 4.353 1.00 43.04 O ATOM 84 CG2 THR A 7 -56.435 25.541 4.928 1.00 50.22 C ATOM 0 H THR A 7 -53.559 25.567 5.838 1.00 41.31 H new ATOM 0 HA THR A 7 -55.854 24.717 7.334 1.00 72.31 H new ATOM 0 HB THR A 7 -56.123 23.433 5.095 1.00 5.43 H new ATOM 0 HG1 THR A 7 -53.676 23.841 4.745 1.00 43.04 H new ATOM 0 HG21 THR A 7 -56.785 25.479 3.897 1.00 50.22 H new ATOM 0 HG22 THR A 7 -57.291 25.539 5.603 1.00 50.22 H new ATOM 0 HG23 THR A 7 -55.868 26.462 5.064 1.00 50.22 H new ATOM 92 N PRO A 8 -55.309 22.403 8.108 1.00 35.23 N ATOM 93 CA PRO A 8 -54.948 21.099 8.682 1.00 11.30 C ATOM 94 C PRO A 8 -54.745 20.025 7.616 1.00 1.12 C ATOM 95 O PRO A 8 -55.531 19.913 6.662 1.00 5.33 O ATOM 96 CB PRO A 8 -56.156 20.737 9.559 1.00 20.15 C ATOM 97 CG PRO A 8 -56.815 22.032 9.863 1.00 14.33 C ATOM 98 CD PRO A 8 -56.577 22.913 8.673 1.00 31.04 C ATOM 0 HA PRO A 8 -54.005 21.153 9.225 1.00 11.30 H new ATOM 0 HB2 PRO A 8 -56.834 20.062 9.037 1.00 20.15 H new ATOM 0 HB3 PRO A 8 -55.843 20.230 10.472 1.00 20.15 H new ATOM 0 HG2 PRO A 8 -57.882 21.894 10.038 1.00 14.33 H new ATOM 0 HG3 PRO A 8 -56.399 22.478 10.767 1.00 14.33 H new ATOM 0 HD2 PRO A 8 -57.393 22.843 7.953 1.00 31.04 H new ATOM 0 HD3 PRO A 8 -56.494 23.961 8.961 1.00 31.04 H new ATOM 106 N GLU A 9 -53.670 19.293 7.734 1.00 52.24 N ATOM 107 CA GLU A 9 -53.414 18.200 6.846 1.00 44.32 C ATOM 108 C GLU A 9 -53.886 16.932 7.519 1.00 40.32 C ATOM 109 O GLU A 9 -53.482 16.662 8.660 1.00 1.50 O ATOM 110 CB GLU A 9 -51.931 18.087 6.514 1.00 32.13 C ATOM 111 CG GLU A 9 -51.348 19.319 5.853 1.00 25.55 C ATOM 112 CD GLU A 9 -49.945 19.089 5.388 1.00 31.12 C ATOM 113 OE1 GLU A 9 -49.001 19.298 6.169 1.00 33.35 O ATOM 114 OE2 GLU A 9 -49.768 18.676 4.230 1.00 33.34 O ATOM 0 H GLU A 9 -52.953 19.439 8.445 1.00 52.24 H new ATOM 0 HA GLU A 9 -53.946 18.365 5.909 1.00 44.32 H new ATOM 0 HB2 GLU A 9 -51.379 17.885 7.432 1.00 32.13 H new ATOM 0 HB3 GLU A 9 -51.781 17.230 5.857 1.00 32.13 H new ATOM 0 HG2 GLU A 9 -51.970 19.605 5.005 1.00 25.55 H new ATOM 0 HG3 GLU A 9 -51.366 20.152 6.556 1.00 25.55 H new ATOM 121 N PRO A 10 -54.756 16.152 6.861 1.00 32.50 N ATOM 122 CA PRO A 10 -55.305 14.920 7.426 1.00 32.00 C ATOM 123 C PRO A 10 -54.209 13.948 7.864 1.00 54.35 C ATOM 124 O PRO A 10 -53.196 13.766 7.164 1.00 34.23 O ATOM 125 CB PRO A 10 -56.143 14.319 6.287 1.00 4.43 C ATOM 126 CG PRO A 10 -55.721 15.051 5.061 1.00 2.05 C ATOM 127 CD PRO A 10 -55.288 16.407 5.515 1.00 61.34 C ATOM 0 HA PRO A 10 -55.889 15.117 8.325 1.00 32.00 H new ATOM 0 HB2 PRO A 10 -55.962 13.249 6.188 1.00 4.43 H new ATOM 0 HB3 PRO A 10 -57.209 14.446 6.474 1.00 4.43 H new ATOM 0 HG2 PRO A 10 -54.906 14.530 4.557 1.00 2.05 H new ATOM 0 HG3 PRO A 10 -56.542 15.123 4.348 1.00 2.05 H new ATOM 0 HD2 PRO A 10 -54.531 16.830 4.855 1.00 61.34 H new ATOM 0 HD3 PRO A 10 -56.121 17.110 5.537 1.00 61.34 H new ATOM 135 N GLN A 11 -54.389 13.373 9.029 1.00 25.10 N ATOM 136 CA GLN A 11 -53.437 12.450 9.595 1.00 75.34 C ATOM 137 C GLN A 11 -53.496 11.143 8.830 1.00 50.41 C ATOM 138 O GLN A 11 -54.489 10.416 8.900 1.00 5.45 O ATOM 139 CB GLN A 11 -53.744 12.237 11.072 1.00 2.11 C ATOM 140 CG GLN A 11 -52.778 11.319 11.787 1.00 61.55 C ATOM 141 CD GLN A 11 -53.128 11.165 13.242 1.00 61.42 C ATOM 142 OE1 GLN A 11 -52.665 11.928 14.086 1.00 52.35 O ATOM 143 NE2 GLN A 11 -53.942 10.196 13.549 1.00 44.42 N ATOM 0 H GLN A 11 -55.208 13.535 9.615 1.00 25.10 H new ATOM 0 HA GLN A 11 -52.428 12.855 9.514 1.00 75.34 H new ATOM 0 HB2 GLN A 11 -53.744 13.205 11.573 1.00 2.11 H new ATOM 0 HB3 GLN A 11 -54.750 11.829 11.166 1.00 2.11 H new ATOM 0 HG2 GLN A 11 -52.783 10.341 11.306 1.00 61.55 H new ATOM 0 HG3 GLN A 11 -51.766 11.714 11.696 1.00 61.55 H new ATOM 0 HE21 GLN A 11 -54.305 9.584 12.818 1.00 44.42 H new ATOM 0 HE22 GLN A 11 -54.217 10.049 14.520 1.00 44.42 H new ATOM 152 N VAL A 12 -52.477 10.875 8.067 1.00 2.44 N ATOM 153 CA VAL A 12 -52.457 9.696 7.244 1.00 53.12 C ATOM 154 C VAL A 12 -51.896 8.537 8.031 1.00 42.42 C ATOM 155 O VAL A 12 -50.740 8.567 8.463 1.00 15.32 O ATOM 156 CB VAL A 12 -51.620 9.893 5.951 1.00 32.52 C ATOM 157 CG1 VAL A 12 -51.735 8.675 5.038 1.00 43.33 C ATOM 158 CG2 VAL A 12 -52.037 11.155 5.213 1.00 13.15 C ATOM 0 H VAL A 12 -51.644 11.459 7.996 1.00 2.44 H new ATOM 0 HA VAL A 12 -53.485 9.491 6.945 1.00 53.12 H new ATOM 0 HB VAL A 12 -50.576 10.004 6.246 1.00 32.52 H new ATOM 0 HG11 VAL A 12 -51.140 8.837 4.139 1.00 43.33 H new ATOM 0 HG12 VAL A 12 -51.369 7.792 5.562 1.00 43.33 H new ATOM 0 HG13 VAL A 12 -52.778 8.525 4.761 1.00 43.33 H new ATOM 0 HG21 VAL A 12 -51.433 11.266 4.312 1.00 13.15 H new ATOM 0 HG22 VAL A 12 -53.089 11.085 4.938 1.00 13.15 H new ATOM 0 HG23 VAL A 12 -51.888 12.020 5.859 1.00 13.15 H new ATOM 168 N GLU A 13 -52.710 7.553 8.252 1.00 70.22 N ATOM 169 CA GLU A 13 -52.285 6.375 8.929 1.00 1.21 C ATOM 170 C GLU A 13 -52.812 5.179 8.178 1.00 22.43 C ATOM 171 O GLU A 13 -54.021 5.052 7.981 1.00 42.13 O ATOM 172 CB GLU A 13 -52.784 6.352 10.375 1.00 14.05 C ATOM 173 CG GLU A 13 -52.325 5.127 11.150 1.00 40.23 C ATOM 174 CD GLU A 13 -52.938 5.027 12.508 1.00 71.25 C ATOM 175 OE1 GLU A 13 -54.088 4.566 12.601 1.00 22.43 O ATOM 176 OE2 GLU A 13 -52.280 5.397 13.515 1.00 61.34 O ATOM 0 H GLU A 13 -53.689 7.547 7.966 1.00 70.22 H new ATOM 0 HA GLU A 13 -51.196 6.354 8.961 1.00 1.21 H new ATOM 0 HB2 GLU A 13 -52.435 7.249 10.887 1.00 14.05 H new ATOM 0 HB3 GLU A 13 -53.873 6.387 10.377 1.00 14.05 H new ATOM 0 HG2 GLU A 13 -52.571 4.231 10.580 1.00 40.23 H new ATOM 0 HG3 GLU A 13 -51.240 5.153 11.249 1.00 40.23 H new ATOM 183 N THR A 14 -51.925 4.326 7.748 1.00 62.55 N ATOM 184 CA THR A 14 -52.313 3.132 7.037 1.00 31.44 C ATOM 185 C THR A 14 -52.813 2.067 8.037 1.00 71.35 C ATOM 186 O THR A 14 -53.616 1.187 7.691 1.00 23.23 O ATOM 187 CB THR A 14 -51.141 2.603 6.124 1.00 32.55 C ATOM 188 OG1 THR A 14 -51.463 1.355 5.503 1.00 70.43 O ATOM 189 CG2 THR A 14 -49.835 2.474 6.885 1.00 3.44 C ATOM 0 H THR A 14 -50.919 4.434 7.877 1.00 62.55 H new ATOM 0 HA THR A 14 -53.137 3.369 6.364 1.00 31.44 H new ATOM 0 HB THR A 14 -51.011 3.353 5.344 1.00 32.55 H new ATOM 0 HG1 THR A 14 -50.712 1.064 4.945 1.00 70.43 H new ATOM 0 HG21 THR A 14 -49.058 2.106 6.215 1.00 3.44 H new ATOM 0 HG22 THR A 14 -49.545 3.449 7.277 1.00 3.44 H new ATOM 0 HG23 THR A 14 -49.963 1.774 7.711 1.00 3.44 H new ATOM 197 N THR A 15 -52.334 2.180 9.293 1.00 4.52 N ATOM 198 CA THR A 15 -52.721 1.309 10.411 1.00 42.54 C ATOM 199 C THR A 15 -52.183 -0.143 10.194 1.00 74.13 C ATOM 200 O THR A 15 -52.524 -1.089 10.913 1.00 55.14 O ATOM 201 CB THR A 15 -54.269 1.334 10.626 1.00 71.23 C ATOM 202 OG1 THR A 15 -54.756 2.706 10.543 1.00 22.43 O ATOM 203 CG2 THR A 15 -54.636 0.805 12.005 1.00 21.32 C ATOM 0 H THR A 15 -51.655 2.894 9.559 1.00 4.52 H new ATOM 0 HA THR A 15 -52.263 1.692 11.323 1.00 42.54 H new ATOM 0 HB THR A 15 -54.719 0.709 9.855 1.00 71.23 H new ATOM 0 HG1 THR A 15 -54.442 3.212 11.321 1.00 22.43 H new ATOM 0 HG21 THR A 15 -55.719 0.833 12.129 1.00 21.32 H new ATOM 0 HG22 THR A 15 -54.286 -0.222 12.106 1.00 21.32 H new ATOM 0 HG23 THR A 15 -54.167 1.425 12.769 1.00 21.32 H new ATOM 211 N SER A 16 -51.302 -0.272 9.236 1.00 33.11 N ATOM 212 CA SER A 16 -50.690 -1.514 8.862 1.00 44.12 C ATOM 213 C SER A 16 -49.271 -1.203 8.415 1.00 22.44 C ATOM 214 O SER A 16 -49.067 -0.548 7.398 1.00 50.41 O ATOM 215 CB SER A 16 -51.497 -2.168 7.716 1.00 43.41 C ATOM 216 OG SER A 16 -50.900 -3.377 7.258 1.00 33.22 O ATOM 0 H SER A 16 -50.981 0.517 8.675 1.00 33.11 H new ATOM 0 HA SER A 16 -50.674 -2.213 9.698 1.00 44.12 H new ATOM 0 HB2 SER A 16 -52.511 -2.373 8.059 1.00 43.41 H new ATOM 0 HB3 SER A 16 -51.577 -1.467 6.885 1.00 43.41 H new ATOM 0 HG SER A 16 -51.443 -3.757 6.536 1.00 33.22 H new ATOM 222 N VAL A 17 -48.308 -1.621 9.177 1.00 54.41 N ATOM 223 CA VAL A 17 -46.933 -1.309 8.876 1.00 71.21 C ATOM 224 C VAL A 17 -46.227 -2.546 8.360 1.00 25.53 C ATOM 225 O VAL A 17 -46.223 -3.584 9.023 1.00 45.41 O ATOM 226 CB VAL A 17 -46.189 -0.783 10.137 1.00 71.24 C ATOM 227 CG1 VAL A 17 -44.756 -0.372 9.810 1.00 20.11 C ATOM 228 CG2 VAL A 17 -46.948 0.373 10.768 1.00 72.21 C ATOM 0 H VAL A 17 -48.443 -2.182 10.018 1.00 54.41 H new ATOM 0 HA VAL A 17 -46.922 -0.529 8.114 1.00 71.21 H new ATOM 0 HB VAL A 17 -46.143 -1.600 10.857 1.00 71.24 H new ATOM 0 HG11 VAL A 17 -44.266 -0.010 10.714 1.00 20.11 H new ATOM 0 HG12 VAL A 17 -44.210 -1.232 9.422 1.00 20.11 H new ATOM 0 HG13 VAL A 17 -44.766 0.420 9.061 1.00 20.11 H new ATOM 0 HG21 VAL A 17 -46.409 0.725 11.648 1.00 72.21 H new ATOM 0 HG22 VAL A 17 -47.037 1.186 10.048 1.00 72.21 H new ATOM 0 HG23 VAL A 17 -47.943 0.038 11.061 1.00 72.21 H new ATOM 616 N GLY A 45 4.335 -15.530 1.996 1.00 40.55 N ATOM 617 CA GLY A 45 2.922 -15.537 2.257 1.00 64.15 C ATOM 618 C GLY A 45 2.437 -14.139 2.094 1.00 74.15 C ATOM 619 O GLY A 45 2.079 -13.461 3.049 1.00 11.13 O ATOM 0 HA2 GLY A 45 2.407 -16.206 1.567 1.00 64.15 H new ATOM 0 HA3 GLY A 45 2.719 -15.900 3.265 1.00 64.15 H new ATOM 623 N SER A 46 2.437 -13.724 0.883 1.00 13.41 N ATOM 624 CA SER A 46 2.207 -12.373 0.521 1.00 72.31 C ATOM 625 C SER A 46 0.754 -12.027 0.304 1.00 74.45 C ATOM 626 O SER A 46 -0.077 -12.868 -0.038 1.00 61.22 O ATOM 627 CB SER A 46 2.995 -12.110 -0.746 1.00 43.11 C ATOM 628 OG SER A 46 2.871 -13.219 -1.654 1.00 33.14 O ATOM 0 H SER A 46 2.603 -14.337 0.085 1.00 13.41 H new ATOM 0 HA SER A 46 2.528 -11.743 1.351 1.00 72.31 H new ATOM 0 HB2 SER A 46 2.634 -11.199 -1.223 1.00 43.11 H new ATOM 0 HB3 SER A 46 4.045 -11.948 -0.502 1.00 43.11 H new ATOM 0 HG SER A 46 1.953 -13.261 -1.995 1.00 33.14 H new ATOM 634 N ALA A 47 0.481 -10.776 0.529 1.00 61.43 N ATOM 635 CA ALA A 47 -0.800 -10.175 0.323 1.00 52.13 C ATOM 636 C ALA A 47 -0.586 -9.038 -0.647 1.00 41.35 C ATOM 637 O ALA A 47 0.576 -8.775 -1.035 1.00 62.44 O ATOM 638 CB ALA A 47 -1.363 -9.667 1.638 1.00 5.44 C ATOM 0 H ALA A 47 1.178 -10.118 0.877 1.00 61.43 H new ATOM 0 HA ALA A 47 -1.518 -10.893 -0.073 1.00 52.13 H new ATOM 0 HB1 ALA A 47 -2.338 -9.212 1.465 1.00 5.44 H new ATOM 0 HB2 ALA A 47 -1.469 -10.499 2.334 1.00 5.44 H new ATOM 0 HB3 ALA A 47 -0.686 -8.924 2.061 1.00 5.44 H new ATOM 644 N LEU A 48 -1.625 -8.340 -1.028 1.00 51.51 N ATOM 645 CA LEU A 48 -1.441 -7.303 -2.004 1.00 5.33 C ATOM 646 C LEU A 48 -2.124 -6.021 -1.597 1.00 55.41 C ATOM 647 O LEU A 48 -3.174 -6.032 -0.937 1.00 41.43 O ATOM 648 CB LEU A 48 -1.876 -7.745 -3.437 1.00 52.42 C ATOM 649 CG LEU A 48 -3.382 -7.739 -3.812 1.00 5.32 C ATOM 650 CD1 LEU A 48 -3.547 -8.189 -5.247 1.00 61.41 C ATOM 651 CD2 LEU A 48 -4.213 -8.625 -2.903 1.00 30.52 C ATOM 0 H LEU A 48 -2.579 -8.466 -0.689 1.00 51.51 H new ATOM 0 HA LEU A 48 -0.369 -7.109 -2.044 1.00 5.33 H new ATOM 0 HB2 LEU A 48 -1.359 -7.101 -4.149 1.00 52.42 H new ATOM 0 HB3 LEU A 48 -1.504 -8.757 -3.594 1.00 52.42 H new ATOM 0 HG LEU A 48 -3.744 -6.718 -3.688 1.00 5.32 H new ATOM 0 HD11 LEU A 48 -4.605 -8.185 -5.510 1.00 61.41 H new ATOM 0 HD12 LEU A 48 -3.006 -7.510 -5.906 1.00 61.41 H new ATOM 0 HD13 LEU A 48 -3.149 -9.197 -5.360 1.00 61.41 H new ATOM 0 HD21 LEU A 48 -5.258 -8.583 -3.210 1.00 30.52 H new ATOM 0 HD22 LEU A 48 -3.856 -9.653 -2.971 1.00 30.52 H new ATOM 0 HD23 LEU A 48 -4.123 -8.277 -1.874 1.00 30.52 H new ATOM 663 N LEU A 49 -1.522 -4.935 -1.970 1.00 25.24 N ATOM 664 CA LEU A 49 -2.065 -3.641 -1.723 1.00 74.44 C ATOM 665 C LEU A 49 -2.507 -3.082 -3.042 1.00 34.50 C ATOM 666 O LEU A 49 -1.764 -3.130 -4.024 1.00 51.24 O ATOM 667 CB LEU A 49 -1.042 -2.674 -1.049 1.00 54.35 C ATOM 668 CG LEU A 49 0.336 -2.465 -1.735 1.00 72.22 C ATOM 669 CD1 LEU A 49 0.954 -1.155 -1.287 1.00 23.42 C ATOM 670 CD2 LEU A 49 1.295 -3.587 -1.379 1.00 53.14 C ATOM 0 H LEU A 49 -0.628 -4.925 -2.461 1.00 25.24 H new ATOM 0 HA LEU A 49 -2.897 -3.736 -1.026 1.00 74.44 H new ATOM 0 HB2 LEU A 49 -1.519 -1.698 -0.956 1.00 54.35 H new ATOM 0 HB3 LEU A 49 -0.858 -3.037 -0.038 1.00 54.35 H new ATOM 0 HG LEU A 49 0.167 -2.454 -2.812 1.00 72.22 H new ATOM 0 HD11 LEU A 49 1.919 -1.022 -1.776 1.00 23.42 H new ATOM 0 HD12 LEU A 49 0.294 -0.330 -1.557 1.00 23.42 H new ATOM 0 HD13 LEU A 49 1.094 -1.169 -0.206 1.00 23.42 H new ATOM 0 HD21 LEU A 49 2.252 -3.417 -1.872 1.00 53.14 H new ATOM 0 HD22 LEU A 49 1.442 -3.611 -0.299 1.00 53.14 H new ATOM 0 HD23 LEU A 49 0.880 -4.539 -1.710 1.00 53.14 H new ATOM 682 N VAL A 50 -3.689 -2.578 -3.077 1.00 61.42 N ATOM 683 CA VAL A 50 -4.243 -2.030 -4.269 1.00 14.31 C ATOM 684 C VAL A 50 -4.424 -0.556 -4.060 1.00 71.45 C ATOM 685 O VAL A 50 -5.163 -0.128 -3.163 1.00 61.05 O ATOM 686 CB VAL A 50 -5.613 -2.670 -4.624 1.00 22.32 C ATOM 687 CG1 VAL A 50 -6.146 -2.130 -5.944 1.00 31.43 C ATOM 688 CG2 VAL A 50 -5.527 -4.192 -4.659 1.00 22.42 C ATOM 0 H VAL A 50 -4.309 -2.533 -2.269 1.00 61.42 H new ATOM 0 HA VAL A 50 -3.564 -2.236 -5.096 1.00 14.31 H new ATOM 0 HB VAL A 50 -6.314 -2.394 -3.836 1.00 22.32 H new ATOM 0 HG11 VAL A 50 -7.106 -2.596 -6.167 1.00 31.43 H new ATOM 0 HG12 VAL A 50 -6.275 -1.050 -5.870 1.00 31.43 H new ATOM 0 HG13 VAL A 50 -5.439 -2.357 -6.742 1.00 31.43 H new ATOM 0 HG21 VAL A 50 -6.503 -4.606 -4.910 1.00 22.42 H new ATOM 0 HG22 VAL A 50 -4.799 -4.498 -5.410 1.00 22.42 H new ATOM 0 HG23 VAL A 50 -5.217 -4.561 -3.681 1.00 22.42 H new ATOM 698 N VAL A 51 -3.762 0.216 -4.848 1.00 51.41 N ATOM 699 CA VAL A 51 -3.853 1.625 -4.727 1.00 31.44 C ATOM 700 C VAL A 51 -4.946 2.092 -5.668 1.00 34.44 C ATOM 701 O VAL A 51 -4.859 1.880 -6.872 1.00 1.13 O ATOM 702 CB VAL A 51 -2.500 2.317 -5.073 1.00 42.43 C ATOM 703 CG1 VAL A 51 -2.539 3.742 -4.618 1.00 11.22 C ATOM 704 CG2 VAL A 51 -1.332 1.595 -4.404 1.00 31.15 C ATOM 0 H VAL A 51 -3.145 -0.111 -5.591 1.00 51.41 H new ATOM 0 HA VAL A 51 -4.088 1.894 -3.697 1.00 31.44 H new ATOM 0 HB VAL A 51 -2.355 2.277 -6.153 1.00 42.43 H new ATOM 0 HG11 VAL A 51 -1.593 4.227 -4.859 1.00 11.22 H new ATOM 0 HG12 VAL A 51 -3.353 4.263 -5.122 1.00 11.22 H new ATOM 0 HG13 VAL A 51 -2.699 3.776 -3.540 1.00 11.22 H new ATOM 0 HG21 VAL A 51 -0.399 2.097 -4.661 1.00 31.15 H new ATOM 0 HG22 VAL A 51 -1.466 1.610 -3.322 1.00 31.15 H new ATOM 0 HG23 VAL A 51 -1.296 0.562 -4.751 1.00 31.15 H new ATOM 714 N LYS A 52 -6.003 2.654 -5.110 1.00 21.21 N ATOM 715 CA LYS A 52 -7.131 3.123 -5.912 1.00 42.45 C ATOM 716 C LYS A 52 -6.729 4.401 -6.615 1.00 42.21 C ATOM 717 O LYS A 52 -7.121 4.666 -7.741 1.00 63.44 O ATOM 718 CB LYS A 52 -8.367 3.362 -5.029 1.00 60.02 C ATOM 719 CG LYS A 52 -8.813 2.142 -4.209 1.00 43.42 C ATOM 720 CD LYS A 52 -9.208 0.944 -5.084 1.00 43.52 C ATOM 721 CE LYS A 52 -10.447 1.224 -5.940 1.00 44.05 C ATOM 722 NZ LYS A 52 -11.652 1.504 -5.123 1.00 62.33 N ATOM 0 H LYS A 52 -6.109 2.799 -4.106 1.00 21.21 H new ATOM 0 HA LYS A 52 -7.393 2.363 -6.649 1.00 42.45 H new ATOM 0 HB2 LYS A 52 -8.156 4.185 -4.346 1.00 60.02 H new ATOM 0 HB3 LYS A 52 -9.195 3.679 -5.663 1.00 60.02 H new ATOM 0 HG2 LYS A 52 -8.005 1.846 -3.540 1.00 43.42 H new ATOM 0 HG3 LYS A 52 -9.660 2.422 -3.582 1.00 43.42 H new ATOM 0 HD2 LYS A 52 -8.373 0.683 -5.734 1.00 43.52 H new ATOM 0 HD3 LYS A 52 -9.399 0.080 -4.447 1.00 43.52 H new ATOM 0 HE2 LYS A 52 -10.249 2.075 -6.592 1.00 44.05 H new ATOM 0 HE3 LYS A 52 -10.640 0.366 -6.584 1.00 44.05 H new ATOM 0 HZ1 LYS A 52 -12.492 1.519 -5.737 1.00 62.33 H new ATOM 0 HZ2 LYS A 52 -11.763 0.762 -4.402 1.00 62.33 H new ATOM 0 HZ3 LYS A 52 -11.548 2.428 -4.656 1.00 62.33 H new ATOM 736 N ARG A 53 -5.937 5.161 -5.921 1.00 45.52 N ATOM 737 CA ARG A 53 -5.344 6.386 -6.380 1.00 4.21 C ATOM 738 C ARG A 53 -4.362 6.717 -5.318 1.00 0.12 C ATOM 739 O ARG A 53 -4.731 6.701 -4.138 1.00 4.10 O ATOM 740 CB ARG A 53 -6.376 7.515 -6.504 1.00 13.33 C ATOM 741 CG ARG A 53 -5.816 8.804 -7.100 1.00 20.33 C ATOM 742 CD ARG A 53 -6.885 9.871 -7.178 1.00 33.31 C ATOM 743 NE ARG A 53 -6.406 11.131 -7.768 1.00 62.45 N ATOM 744 CZ ARG A 53 -7.202 12.169 -8.075 1.00 24.42 C ATOM 745 NH1 ARG A 53 -8.502 12.114 -7.804 1.00 41.25 N ATOM 746 NH2 ARG A 53 -6.686 13.261 -8.626 1.00 71.14 N ATOM 0 H ARG A 53 -5.670 4.932 -4.964 1.00 45.52 H new ATOM 0 HA ARG A 53 -4.904 6.276 -7.371 1.00 4.21 H new ATOM 0 HB2 ARG A 53 -7.204 7.170 -7.123 1.00 13.33 H new ATOM 0 HB3 ARG A 53 -6.784 7.730 -5.517 1.00 13.33 H new ATOM 0 HG2 ARG A 53 -4.985 9.160 -6.491 1.00 20.33 H new ATOM 0 HG3 ARG A 53 -5.420 8.607 -8.096 1.00 20.33 H new ATOM 0 HD2 ARG A 53 -7.721 9.496 -7.768 1.00 33.31 H new ATOM 0 HD3 ARG A 53 -7.266 10.068 -6.176 1.00 33.31 H new ATOM 0 HE ARG A 53 -5.408 11.222 -7.956 1.00 62.45 H new ATOM 0 HH11 ARG A 53 -8.896 11.283 -7.363 1.00 41.25 H new ATOM 0 HH12 ARG A 53 -9.105 12.903 -8.037 1.00 41.25 H new ATOM 0 HH21 ARG A 53 -5.685 13.312 -8.816 1.00 71.14 H new ATOM 0 HH22 ARG A 53 -7.290 14.049 -8.859 1.00 71.14 H new ATOM 760 N GLY A 54 -3.137 6.943 -5.667 1.00 43.23 N ATOM 761 CA GLY A 54 -2.172 7.148 -4.644 1.00 52.51 C ATOM 762 C GLY A 54 -1.033 8.013 -5.028 1.00 22.12 C ATOM 763 O GLY A 54 -0.919 8.424 -6.178 1.00 12.13 O ATOM 0 H GLY A 54 -2.790 6.989 -6.625 1.00 43.23 H new ATOM 0 HA2 GLY A 54 -2.668 7.588 -3.779 1.00 52.51 H new ATOM 0 HA3 GLY A 54 -1.784 6.179 -4.330 1.00 52.51 H new ATOM 767 N PRO A 55 -0.177 8.320 -4.052 1.00 52.30 N ATOM 768 CA PRO A 55 0.996 9.164 -4.251 1.00 42.44 C ATOM 769 C PRO A 55 2.051 8.474 -5.125 1.00 54.33 C ATOM 770 O PRO A 55 2.666 9.092 -5.995 1.00 21.42 O ATOM 771 CB PRO A 55 1.520 9.366 -2.823 1.00 34.50 C ATOM 772 CG PRO A 55 1.005 8.217 -2.040 1.00 21.30 C ATOM 773 CD PRO A 55 -0.305 7.867 -2.646 1.00 53.25 C ATOM 0 HA PRO A 55 0.762 10.095 -4.767 1.00 42.44 H new ATOM 0 HB2 PRO A 55 2.610 9.394 -2.806 1.00 34.50 H new ATOM 0 HB3 PRO A 55 1.170 10.311 -2.408 1.00 34.50 H new ATOM 0 HG2 PRO A 55 1.694 7.374 -2.085 1.00 21.30 H new ATOM 0 HG3 PRO A 55 0.891 8.480 -0.988 1.00 21.30 H new ATOM 0 HD2 PRO A 55 -0.500 6.796 -2.587 1.00 53.25 H new ATOM 0 HD3 PRO A 55 -1.128 8.369 -2.137 1.00 53.25 H new ATOM 781 N ASN A 56 2.225 7.189 -4.899 1.00 25.11 N ATOM 782 CA ASN A 56 3.195 6.381 -5.628 1.00 72.35 C ATOM 783 C ASN A 56 2.644 5.988 -6.985 1.00 13.22 C ATOM 784 O ASN A 56 3.237 6.290 -8.018 1.00 54.45 O ATOM 785 CB ASN A 56 3.538 5.113 -4.813 1.00 54.33 C ATOM 786 CG ASN A 56 4.405 4.072 -5.551 1.00 4.41 C ATOM 787 OD1 ASN A 56 4.238 2.886 -5.342 1.00 3.00 O ATOM 788 ND2 ASN A 56 5.352 4.494 -6.358 1.00 54.22 N ATOM 0 H ASN A 56 1.696 6.667 -4.200 1.00 25.11 H new ATOM 0 HA ASN A 56 4.100 6.970 -5.777 1.00 72.35 H new ATOM 0 HB2 ASN A 56 4.057 5.415 -3.903 1.00 54.33 H new ATOM 0 HB3 ASN A 56 2.608 4.635 -4.506 1.00 54.33 H new ATOM 0 HD21 ASN A 56 5.963 3.822 -6.822 1.00 54.22 H new ATOM 0 HD22 ASN A 56 5.476 5.493 -6.520 1.00 54.22 H new ATOM 795 N ALA A 57 1.499 5.351 -6.971 1.00 73.44 N ATOM 796 CA ALA A 57 0.889 4.834 -8.163 1.00 25.10 C ATOM 797 C ALA A 57 -0.596 4.641 -7.907 1.00 11.14 C ATOM 798 O ALA A 57 -1.127 5.190 -6.959 1.00 71.10 O ATOM 799 CB ALA A 57 1.549 3.506 -8.542 1.00 40.01 C ATOM 0 H ALA A 57 0.962 5.177 -6.121 1.00 73.44 H new ATOM 0 HA ALA A 57 1.022 5.532 -8.990 1.00 25.10 H new ATOM 0 HB1 ALA A 57 1.085 3.114 -9.447 1.00 40.01 H new ATOM 0 HB2 ALA A 57 2.613 3.666 -8.719 1.00 40.01 H new ATOM 0 HB3 ALA A 57 1.420 2.791 -7.730 1.00 40.01 H new ATOM 805 N GLY A 58 -1.221 3.838 -8.725 1.00 14.25 N ATOM 806 CA GLY A 58 -2.621 3.553 -8.660 1.00 51.25 C ATOM 807 C GLY A 58 -2.825 2.182 -9.225 1.00 62.24 C ATOM 808 O GLY A 58 -3.697 1.943 -10.063 1.00 70.44 O ATOM 0 H GLY A 58 -0.746 3.347 -9.483 1.00 14.25 H new ATOM 0 HA2 GLY A 58 -2.975 3.600 -7.630 1.00 51.25 H new ATOM 0 HA3 GLY A 58 -3.190 4.290 -9.227 1.00 51.25 H new ATOM 812 N ALA A 59 -1.991 1.285 -8.772 1.00 40.40 N ATOM 813 CA ALA A 59 -1.946 -0.071 -9.243 1.00 60.45 C ATOM 814 C ALA A 59 -1.881 -0.968 -8.030 1.00 11.11 C ATOM 815 O ALA A 59 -2.004 -0.477 -6.907 1.00 65.43 O ATOM 816 CB ALA A 59 -0.715 -0.259 -10.121 1.00 42.03 C ATOM 0 H ALA A 59 -1.305 1.484 -8.044 1.00 40.40 H new ATOM 0 HA ALA A 59 -2.826 -0.314 -9.839 1.00 60.45 H new ATOM 0 HB1 ALA A 59 -0.678 -1.287 -10.480 1.00 42.03 H new ATOM 0 HB2 ALA A 59 -0.767 0.421 -10.971 1.00 42.03 H new ATOM 0 HB3 ALA A 59 0.182 -0.045 -9.540 1.00 42.03 H new ATOM 822 N ARG A 60 -1.689 -2.238 -8.216 1.00 61.34 N ATOM 823 CA ARG A 60 -1.617 -3.121 -7.088 1.00 33.23 C ATOM 824 C ARG A 60 -0.251 -3.763 -6.995 1.00 73.34 C ATOM 825 O ARG A 60 0.352 -4.110 -8.004 1.00 13.22 O ATOM 826 CB ARG A 60 -2.751 -4.146 -7.104 1.00 2.54 C ATOM 827 CG ARG A 60 -2.774 -5.063 -8.302 1.00 3.41 C ATOM 828 CD ARG A 60 -3.977 -5.980 -8.254 1.00 23.03 C ATOM 829 NE ARG A 60 -3.979 -6.929 -9.361 1.00 14.05 N ATOM 830 CZ ARG A 60 -4.790 -7.985 -9.467 1.00 41.04 C ATOM 831 NH1 ARG A 60 -5.677 -8.246 -8.517 1.00 12.54 N ATOM 832 NH2 ARG A 60 -4.711 -8.777 -10.528 1.00 31.40 N ATOM 0 H ARG A 60 -1.580 -2.685 -9.127 1.00 61.34 H new ATOM 0 HA ARG A 60 -1.754 -2.530 -6.182 1.00 33.23 H new ATOM 0 HB2 ARG A 60 -2.681 -4.755 -6.202 1.00 2.54 H new ATOM 0 HB3 ARG A 60 -3.701 -3.613 -7.056 1.00 2.54 H new ATOM 0 HG2 ARG A 60 -2.798 -4.472 -9.218 1.00 3.41 H new ATOM 0 HG3 ARG A 60 -1.860 -5.656 -8.329 1.00 3.41 H new ATOM 0 HD2 ARG A 60 -3.982 -6.524 -7.309 1.00 23.03 H new ATOM 0 HD3 ARG A 60 -4.889 -5.384 -8.284 1.00 23.03 H new ATOM 0 HE ARG A 60 -3.308 -6.774 -10.114 1.00 14.05 H new ATOM 0 HH11 ARG A 60 -5.743 -7.639 -7.700 1.00 12.54 H new ATOM 0 HH12 ARG A 60 -6.294 -9.054 -8.603 1.00 12.54 H new ATOM 0 HH21 ARG A 60 -4.031 -8.579 -11.262 1.00 31.40 H new ATOM 0 HH22 ARG A 60 -5.330 -9.584 -10.610 1.00 31.40 H new ATOM 846 N PHE A 61 0.242 -3.879 -5.802 1.00 11.51 N ATOM 847 CA PHE A 61 1.558 -4.417 -5.560 1.00 63.41 C ATOM 848 C PHE A 61 1.451 -5.539 -4.558 1.00 31.51 C ATOM 849 O PHE A 61 0.516 -5.571 -3.761 1.00 44.31 O ATOM 850 CB PHE A 61 2.497 -3.326 -5.014 1.00 63.00 C ATOM 851 CG PHE A 61 2.614 -2.110 -5.890 1.00 0.55 C ATOM 852 CD1 PHE A 61 3.488 -2.092 -6.960 1.00 62.11 C ATOM 853 CD2 PHE A 61 1.841 -0.984 -5.642 1.00 54.11 C ATOM 854 CE1 PHE A 61 3.590 -0.978 -7.768 1.00 3.33 C ATOM 855 CE2 PHE A 61 1.940 0.131 -6.447 1.00 13.53 C ATOM 856 CZ PHE A 61 2.817 0.135 -7.512 1.00 71.13 C ATOM 0 H PHE A 61 -0.256 -3.602 -4.956 1.00 11.51 H new ATOM 0 HA PHE A 61 1.970 -4.789 -6.498 1.00 63.41 H new ATOM 0 HB2 PHE A 61 2.142 -3.017 -4.031 1.00 63.00 H new ATOM 0 HB3 PHE A 61 3.489 -3.755 -4.874 1.00 63.00 H new ATOM 0 HD1 PHE A 61 4.098 -2.959 -7.166 1.00 62.11 H new ATOM 0 HD2 PHE A 61 1.154 -0.981 -4.809 1.00 54.11 H new ATOM 0 HE1 PHE A 61 4.276 -0.978 -8.602 1.00 3.33 H new ATOM 0 HE2 PHE A 61 1.332 1.000 -6.244 1.00 13.53 H new ATOM 0 HZ PHE A 61 2.898 1.007 -8.143 1.00 71.13 H new ATOM 866 N LEU A 62 2.373 -6.450 -4.603 1.00 21.32 N ATOM 867 CA LEU A 62 2.407 -7.558 -3.687 1.00 60.03 C ATOM 868 C LEU A 62 3.581 -7.379 -2.755 1.00 65.20 C ATOM 869 O LEU A 62 4.641 -6.897 -3.182 1.00 53.04 O ATOM 870 CB LEU A 62 2.518 -8.924 -4.415 1.00 31.22 C ATOM 871 CG LEU A 62 1.292 -9.428 -5.220 1.00 11.33 C ATOM 872 CD1 LEU A 62 1.028 -8.595 -6.472 1.00 75.25 C ATOM 873 CD2 LEU A 62 1.461 -10.896 -5.582 1.00 11.24 C ATOM 0 H LEU A 62 3.134 -6.449 -5.283 1.00 21.32 H new ATOM 0 HA LEU A 62 1.469 -7.568 -3.132 1.00 60.03 H new ATOM 0 HB2 LEU A 62 3.365 -8.869 -5.099 1.00 31.22 H new ATOM 0 HB3 LEU A 62 2.760 -9.680 -3.668 1.00 31.22 H new ATOM 0 HG LEU A 62 0.420 -9.315 -4.575 1.00 11.33 H new ATOM 0 HD11 LEU A 62 0.159 -8.992 -6.997 1.00 75.25 H new ATOM 0 HD12 LEU A 62 0.838 -7.560 -6.187 1.00 75.25 H new ATOM 0 HD13 LEU A 62 1.898 -8.637 -7.127 1.00 75.25 H new ATOM 0 HD21 LEU A 62 0.592 -11.234 -6.147 1.00 11.24 H new ATOM 0 HD22 LEU A 62 2.358 -11.020 -6.188 1.00 11.24 H new ATOM 0 HD23 LEU A 62 1.554 -11.487 -4.671 1.00 11.24 H new ATOM 885 N LEU A 63 3.402 -7.702 -1.490 1.00 35.12 N ATOM 886 CA LEU A 63 4.505 -7.602 -0.545 1.00 74.20 C ATOM 887 C LEU A 63 5.498 -8.688 -0.836 1.00 74.43 C ATOM 888 O LEU A 63 5.189 -9.878 -0.743 1.00 70.20 O ATOM 889 CB LEU A 63 4.057 -7.675 0.929 1.00 11.20 C ATOM 890 CG LEU A 63 3.346 -6.444 1.528 1.00 71.01 C ATOM 891 CD1 LEU A 63 4.196 -5.187 1.401 1.00 22.33 C ATOM 892 CD2 LEU A 63 1.972 -6.240 0.933 1.00 10.03 C ATOM 0 H LEU A 63 2.521 -8.031 -1.094 1.00 35.12 H new ATOM 0 HA LEU A 63 4.957 -6.619 -0.677 1.00 74.20 H new ATOM 0 HB2 LEU A 63 3.390 -8.531 1.034 1.00 11.20 H new ATOM 0 HB3 LEU A 63 4.938 -7.881 1.537 1.00 11.20 H new ATOM 0 HG LEU A 63 3.211 -6.644 2.591 1.00 71.01 H new ATOM 0 HD11 LEU A 63 3.662 -4.341 1.834 1.00 22.33 H new ATOM 0 HD12 LEU A 63 5.138 -5.330 1.930 1.00 22.33 H new ATOM 0 HD13 LEU A 63 4.397 -4.989 0.348 1.00 22.33 H new ATOM 0 HD21 LEU A 63 1.507 -5.363 1.383 1.00 10.03 H new ATOM 0 HD22 LEU A 63 2.060 -6.092 -0.143 1.00 10.03 H new ATOM 0 HD23 LEU A 63 1.356 -7.118 1.130 1.00 10.03 H new ATOM 904 N ASP A 64 6.662 -8.282 -1.225 1.00 21.21 N ATOM 905 CA ASP A 64 7.679 -9.219 -1.634 1.00 64.11 C ATOM 906 C ASP A 64 9.030 -8.861 -1.048 1.00 31.04 C ATOM 907 O ASP A 64 9.882 -9.724 -0.861 1.00 74.12 O ATOM 908 CB ASP A 64 7.733 -9.255 -3.158 1.00 2.14 C ATOM 909 CG ASP A 64 8.694 -10.276 -3.709 1.00 25.40 C ATOM 910 OD1 ASP A 64 8.334 -11.467 -3.777 1.00 31.30 O ATOM 911 OD2 ASP A 64 9.788 -9.895 -4.156 1.00 0.33 O ATOM 0 H ASP A 64 6.942 -7.302 -1.271 1.00 21.21 H new ATOM 0 HA ASP A 64 7.425 -10.209 -1.256 1.00 64.11 H new ATOM 0 HB2 ASP A 64 6.735 -9.465 -3.543 1.00 2.14 H new ATOM 0 HB3 ASP A 64 8.016 -8.268 -3.526 1.00 2.14 H new ATOM 916 N GLN A 65 9.224 -7.596 -0.762 1.00 21.13 N ATOM 917 CA GLN A 65 10.455 -7.122 -0.186 1.00 75.40 C ATOM 918 C GLN A 65 10.191 -6.732 1.270 1.00 20.31 C ATOM 919 O GLN A 65 9.278 -5.933 1.518 1.00 23.55 O ATOM 920 CB GLN A 65 10.930 -5.917 -0.974 1.00 54.00 C ATOM 921 CG GLN A 65 12.245 -5.333 -0.519 1.00 12.33 C ATOM 922 CD GLN A 65 12.559 -4.076 -1.271 1.00 45.42 C ATOM 923 OE1 GLN A 65 13.199 -4.093 -2.315 1.00 63.51 O ATOM 924 NE2 GLN A 65 12.100 -2.980 -0.760 1.00 71.23 N ATOM 0 H GLN A 65 8.530 -6.866 -0.923 1.00 21.13 H new ATOM 0 HA GLN A 65 11.222 -7.896 -0.220 1.00 75.40 H new ATOM 0 HB2 GLN A 65 11.019 -6.200 -2.023 1.00 54.00 H new ATOM 0 HB3 GLN A 65 10.166 -5.141 -0.917 1.00 54.00 H new ATOM 0 HG2 GLN A 65 12.204 -5.122 0.550 1.00 12.33 H new ATOM 0 HG3 GLN A 65 13.042 -6.061 -0.670 1.00 12.33 H new ATOM 0 HE21 GLN A 65 11.571 -3.006 0.112 1.00 71.23 H new ATOM 0 HE22 GLN A 65 12.267 -2.090 -1.229 1.00 71.23 H new ATOM 933 N PRO A 66 10.981 -7.297 2.236 1.00 1.34 N ATOM 934 CA PRO A 66 10.814 -7.080 3.690 1.00 71.23 C ATOM 935 C PRO A 66 10.497 -5.630 4.092 1.00 73.42 C ATOM 936 O PRO A 66 9.466 -5.368 4.719 1.00 25.03 O ATOM 937 CB PRO A 66 12.158 -7.535 4.296 1.00 31.03 C ATOM 938 CG PRO A 66 13.010 -7.982 3.148 1.00 3.14 C ATOM 939 CD PRO A 66 12.094 -8.224 1.985 1.00 14.42 C ATOM 0 HA PRO A 66 9.951 -7.637 4.055 1.00 71.23 H new ATOM 0 HB2 PRO A 66 12.635 -6.719 4.839 1.00 31.03 H new ATOM 0 HB3 PRO A 66 12.008 -8.347 5.008 1.00 31.03 H new ATOM 0 HG2 PRO A 66 13.753 -7.223 2.902 1.00 3.14 H new ATOM 0 HG3 PRO A 66 13.555 -8.890 3.404 1.00 3.14 H new ATOM 0 HD2 PRO A 66 12.586 -8.015 1.035 1.00 14.42 H new ATOM 0 HD3 PRO A 66 11.755 -9.259 1.948 1.00 14.42 H new ATOM 947 N THR A 67 11.351 -4.703 3.743 1.00 60.34 N ATOM 948 CA THR A 67 11.096 -3.330 4.067 1.00 51.51 C ATOM 949 C THR A 67 10.771 -2.556 2.792 1.00 74.14 C ATOM 950 O THR A 67 11.589 -2.468 1.887 1.00 34.02 O ATOM 951 CB THR A 67 12.313 -2.694 4.772 1.00 63.21 C ATOM 952 OG1 THR A 67 12.717 -3.524 5.880 1.00 31.54 O ATOM 953 CG2 THR A 67 11.973 -1.300 5.297 1.00 41.21 C ATOM 0 H THR A 67 12.221 -4.875 3.239 1.00 60.34 H new ATOM 0 HA THR A 67 10.247 -3.286 4.749 1.00 51.51 H new ATOM 0 HB THR A 67 13.122 -2.611 4.047 1.00 63.21 H new ATOM 0 HG1 THR A 67 13.491 -3.120 6.326 1.00 31.54 H new ATOM 0 HG21 THR A 67 12.847 -0.874 5.789 1.00 41.21 H new ATOM 0 HG22 THR A 67 11.677 -0.660 4.466 1.00 41.21 H new ATOM 0 HG23 THR A 67 11.152 -1.370 6.011 1.00 41.21 H new ATOM 961 N THR A 68 9.580 -2.056 2.706 1.00 61.14 N ATOM 962 CA THR A 68 9.156 -1.237 1.599 1.00 42.23 C ATOM 963 C THR A 68 8.828 0.152 2.164 1.00 0.45 C ATOM 964 O THR A 68 7.938 0.282 2.991 1.00 53.33 O ATOM 965 CB THR A 68 7.900 -1.866 0.942 1.00 61.24 C ATOM 966 OG1 THR A 68 8.193 -3.223 0.516 1.00 30.12 O ATOM 967 CG2 THR A 68 7.421 -1.042 -0.250 1.00 50.33 C ATOM 0 H THR A 68 8.858 -2.203 3.411 1.00 61.14 H new ATOM 0 HA THR A 68 9.934 -1.163 0.839 1.00 42.23 H new ATOM 0 HB THR A 68 7.103 -1.879 1.685 1.00 61.24 H new ATOM 0 HG1 THR A 68 7.396 -3.616 0.103 1.00 30.12 H new ATOM 0 HG21 THR A 68 6.539 -1.512 -0.686 1.00 50.33 H new ATOM 0 HG22 THR A 68 7.169 -0.035 0.082 1.00 50.33 H new ATOM 0 HG23 THR A 68 8.212 -0.990 -0.998 1.00 50.33 H new ATOM 975 N THR A 69 9.551 1.174 1.771 1.00 14.11 N ATOM 976 CA THR A 69 9.315 2.458 2.365 1.00 22.14 C ATOM 977 C THR A 69 8.673 3.421 1.366 1.00 5.30 C ATOM 978 O THR A 69 9.161 3.603 0.234 1.00 52.32 O ATOM 979 CB THR A 69 10.606 3.044 3.037 1.00 71.11 C ATOM 980 OG1 THR A 69 10.324 4.261 3.737 1.00 65.13 O ATOM 981 CG2 THR A 69 11.725 3.284 2.034 1.00 62.22 C ATOM 0 H THR A 69 10.285 1.141 1.064 1.00 14.11 H new ATOM 0 HA THR A 69 8.597 2.321 3.174 1.00 22.14 H new ATOM 0 HB THR A 69 10.944 2.290 3.748 1.00 71.11 H new ATOM 0 HG1 THR A 69 11.147 4.601 4.146 1.00 65.13 H new ATOM 0 HG21 THR A 69 12.595 3.690 2.550 1.00 62.22 H new ATOM 0 HG22 THR A 69 11.993 2.342 1.556 1.00 62.22 H new ATOM 0 HG23 THR A 69 11.389 3.993 1.277 1.00 62.22 H new ATOM 989 N ALA A 70 7.544 3.972 1.765 1.00 43.40 N ATOM 990 CA ALA A 70 6.817 4.904 0.959 1.00 12.01 C ATOM 991 C ALA A 70 7.110 6.304 1.436 1.00 31.30 C ATOM 992 O ALA A 70 6.702 6.698 2.544 1.00 0.14 O ATOM 993 CB ALA A 70 5.322 4.623 1.035 1.00 43.40 C ATOM 0 H ALA A 70 7.110 3.777 2.667 1.00 43.40 H new ATOM 0 HA ALA A 70 7.129 4.801 -0.080 1.00 12.01 H new ATOM 0 HB1 ALA A 70 4.785 5.342 0.416 1.00 43.40 H new ATOM 0 HB2 ALA A 70 5.123 3.614 0.675 1.00 43.40 H new ATOM 0 HB3 ALA A 70 4.987 4.713 2.068 1.00 43.40 H new ATOM 999 N GLY A 71 7.824 7.041 0.644 1.00 22.44 N ATOM 1000 CA GLY A 71 8.161 8.370 1.000 1.00 13.30 C ATOM 1001 C GLY A 71 8.947 8.971 -0.085 1.00 4.11 C ATOM 1002 O GLY A 71 8.702 8.673 -1.261 1.00 23.33 O ATOM 0 H GLY A 71 8.184 6.735 -0.260 1.00 22.44 H new ATOM 0 HA2 GLY A 71 7.257 8.953 1.178 1.00 13.30 H new ATOM 0 HA3 GLY A 71 8.733 8.378 1.928 1.00 13.30 H new ATOM 1006 N ARG A 72 9.891 9.781 0.259 1.00 11.01 N ATOM 1007 CA ARG A 72 10.701 10.354 -0.734 1.00 40.12 C ATOM 1008 C ARG A 72 12.129 9.840 -0.641 1.00 3.41 C ATOM 1009 O ARG A 72 12.423 8.792 -1.205 1.00 52.33 O ATOM 1010 CB ARG A 72 10.594 11.884 -0.756 1.00 41.22 C ATOM 1011 CG ARG A 72 11.373 12.537 -1.879 1.00 22.43 C ATOM 1012 CD ARG A 72 11.036 14.004 -2.001 1.00 71.05 C ATOM 1013 NE ARG A 72 11.859 14.660 -3.014 1.00 61.40 N ATOM 1014 CZ ARG A 72 11.403 15.316 -4.087 1.00 14.54 C ATOM 1015 NH1 ARG A 72 10.099 15.303 -4.396 1.00 23.33 N ATOM 1016 NH2 ARG A 72 12.257 15.969 -4.866 1.00 44.11 N ATOM 0 H ARG A 72 10.111 10.053 1.217 1.00 11.01 H new ATOM 0 HA ARG A 72 10.325 10.031 -1.705 1.00 40.12 H new ATOM 0 HB2 ARG A 72 9.544 12.164 -0.844 1.00 41.22 H new ATOM 0 HB3 ARG A 72 10.950 12.277 0.196 1.00 41.22 H new ATOM 0 HG2 ARG A 72 12.442 12.421 -1.698 1.00 22.43 H new ATOM 0 HG3 ARG A 72 11.152 12.032 -2.819 1.00 22.43 H new ATOM 0 HD2 ARG A 72 9.983 14.116 -2.258 1.00 71.05 H new ATOM 0 HD3 ARG A 72 11.183 14.493 -1.038 1.00 71.05 H new ATOM 0 HE ARG A 72 12.871 14.614 -2.892 1.00 61.40 H new ATOM 0 HH11 ARG A 72 9.441 14.789 -3.810 1.00 23.33 H new ATOM 0 HH12 ARG A 72 9.764 15.807 -5.217 1.00 23.33 H new ATOM 0 HH21 ARG A 72 13.253 15.968 -4.644 1.00 44.11 H new ATOM 0 HH22 ARG A 72 11.917 16.472 -5.686 1.00 44.11 H new ATOM 1030 N HIS A 73 12.988 10.517 0.137 1.00 64.11 N ATOM 1031 CA HIS A 73 14.426 10.222 0.200 1.00 41.44 C ATOM 1032 C HIS A 73 15.101 10.383 -1.183 1.00 32.14 C ATOM 1033 O HIS A 73 14.446 10.357 -2.226 1.00 24.03 O ATOM 1034 CB HIS A 73 14.734 8.797 0.730 1.00 22.13 C ATOM 1035 CG HIS A 73 14.445 8.524 2.173 1.00 63.05 C ATOM 1036 ND1 HIS A 73 14.004 7.303 2.637 1.00 70.15 N ATOM 1037 CD2 HIS A 73 14.639 9.289 3.271 1.00 63.41 C ATOM 1038 CE1 HIS A 73 13.940 7.354 3.956 1.00 74.54 C ATOM 1039 NE2 HIS A 73 14.319 8.542 4.407 1.00 52.40 N ATOM 0 H HIS A 73 12.703 11.287 0.742 1.00 64.11 H new ATOM 0 HA HIS A 73 14.833 10.948 0.904 1.00 41.44 H new ATOM 0 HB2 HIS A 73 14.166 8.085 0.132 1.00 22.13 H new ATOM 0 HB3 HIS A 73 15.790 8.592 0.553 1.00 22.13 H new ATOM 0 HD1 HIS A 73 13.767 6.496 2.060 1.00 70.15 H new ATOM 0 HD2 HIS A 73 14.985 10.312 3.270 1.00 63.41 H new ATOM 0 HE1 HIS A 73 13.621 6.535 4.584 1.00 74.54 H new ATOM 1047 N PRO A 74 16.410 10.612 -1.226 1.00 14.32 N ATOM 1048 CA PRO A 74 17.153 10.529 -2.481 1.00 34.03 C ATOM 1049 C PRO A 74 17.160 9.066 -2.958 1.00 54.21 C ATOM 1050 O PRO A 74 17.237 8.767 -4.146 1.00 65.12 O ATOM 1051 CB PRO A 74 18.572 10.969 -2.094 1.00 32.42 C ATOM 1052 CG PRO A 74 18.423 11.673 -0.788 1.00 73.23 C ATOM 1053 CD PRO A 74 17.261 11.035 -0.102 1.00 45.45 C ATOM 0 HA PRO A 74 16.733 11.137 -3.282 1.00 34.03 H new ATOM 0 HB2 PRO A 74 19.239 10.112 -2.005 1.00 32.42 H new ATOM 0 HB3 PRO A 74 18.999 11.628 -2.850 1.00 32.42 H new ATOM 0 HG2 PRO A 74 19.329 11.578 -0.189 1.00 73.23 H new ATOM 0 HG3 PRO A 74 18.250 12.739 -0.938 1.00 73.23 H new ATOM 0 HD2 PRO A 74 17.569 10.189 0.513 1.00 45.45 H new ATOM 0 HD3 PRO A 74 16.745 11.735 0.555 1.00 45.45 H new ATOM 1061 N GLU A 75 17.019 8.177 -1.991 1.00 11.22 N ATOM 1062 CA GLU A 75 17.049 6.754 -2.193 1.00 14.33 C ATOM 1063 C GLU A 75 15.648 6.200 -1.930 1.00 13.14 C ATOM 1064 O GLU A 75 15.384 5.605 -0.879 1.00 30.30 O ATOM 1065 CB GLU A 75 18.031 6.128 -1.199 1.00 54.51 C ATOM 1066 CG GLU A 75 19.388 6.817 -1.130 1.00 11.34 C ATOM 1067 CD GLU A 75 20.168 6.718 -2.405 1.00 25.14 C ATOM 1068 OE1 GLU A 75 20.900 5.735 -2.573 1.00 21.54 O ATOM 1069 OE2 GLU A 75 20.079 7.633 -3.251 1.00 34.12 O ATOM 0 H GLU A 75 16.876 8.442 -1.016 1.00 11.22 H new ATOM 0 HA GLU A 75 17.362 6.522 -3.211 1.00 14.33 H new ATOM 0 HB2 GLU A 75 17.581 6.141 -0.206 1.00 54.51 H new ATOM 0 HB3 GLU A 75 18.182 5.082 -1.467 1.00 54.51 H new ATOM 0 HG2 GLU A 75 19.242 7.868 -0.882 1.00 11.34 H new ATOM 0 HG3 GLU A 75 19.971 6.377 -0.321 1.00 11.34 H new ATOM 1076 N SER A 76 14.748 6.495 -2.822 1.00 11.14 N ATOM 1077 CA SER A 76 13.365 6.064 -2.707 1.00 45.45 C ATOM 1078 C SER A 76 13.244 4.561 -3.007 1.00 52.54 C ATOM 1079 O SER A 76 13.846 4.077 -3.967 1.00 21.51 O ATOM 1080 CB SER A 76 12.528 6.846 -3.730 1.00 61.32 C ATOM 1081 OG SER A 76 12.914 8.222 -3.748 1.00 74.20 O ATOM 0 H SER A 76 14.943 7.044 -3.659 1.00 11.14 H new ATOM 0 HA SER A 76 13.011 6.249 -1.693 1.00 45.45 H new ATOM 0 HB2 SER A 76 12.658 6.413 -4.722 1.00 61.32 H new ATOM 0 HB3 SER A 76 11.470 6.763 -3.482 1.00 61.32 H new ATOM 0 HG SER A 76 13.038 8.539 -2.829 1.00 74.20 H new ATOM 1087 N ASP A 77 12.508 3.820 -2.176 1.00 21.31 N ATOM 1088 CA ASP A 77 12.246 2.413 -2.482 1.00 63.24 C ATOM 1089 C ASP A 77 11.142 2.374 -3.520 1.00 32.53 C ATOM 1090 O ASP A 77 11.245 1.714 -4.561 1.00 1.24 O ATOM 1091 CB ASP A 77 11.837 1.652 -1.229 1.00 43.43 C ATOM 1092 CG ASP A 77 11.650 0.179 -1.482 1.00 73.15 C ATOM 1093 OD1 ASP A 77 12.663 -0.535 -1.681 1.00 45.01 O ATOM 1094 OD2 ASP A 77 10.522 -0.304 -1.425 1.00 22.11 O ATOM 0 H ASP A 77 12.093 4.159 -1.308 1.00 21.31 H new ATOM 0 HA ASP A 77 13.147 1.933 -2.865 1.00 63.24 H new ATOM 0 HB2 ASP A 77 12.596 1.791 -0.460 1.00 43.43 H new ATOM 0 HB3 ASP A 77 10.909 2.071 -0.840 1.00 43.43 H new ATOM 1099 N ILE A 78 10.094 3.102 -3.230 1.00 51.43 N ATOM 1100 CA ILE A 78 9.048 3.377 -4.172 1.00 22.23 C ATOM 1101 C ILE A 78 8.912 4.881 -4.222 1.00 33.33 C ATOM 1102 O ILE A 78 9.078 5.551 -3.195 1.00 1.30 O ATOM 1103 CB ILE A 78 7.679 2.706 -3.830 1.00 3.55 C ATOM 1104 CG1 ILE A 78 7.176 3.117 -2.438 1.00 32.05 C ATOM 1105 CG2 ILE A 78 7.778 1.186 -3.950 1.00 2.24 C ATOM 1106 CD1 ILE A 78 5.793 2.595 -2.109 1.00 45.25 C ATOM 0 H ILE A 78 9.944 3.526 -2.315 1.00 51.43 H new ATOM 0 HA ILE A 78 9.319 2.948 -5.137 1.00 22.23 H new ATOM 0 HB ILE A 78 6.947 3.061 -4.556 1.00 3.55 H new ATOM 0 HG12 ILE A 78 7.879 2.756 -1.687 1.00 32.05 H new ATOM 0 HG13 ILE A 78 7.169 4.205 -2.371 1.00 32.05 H new ATOM 0 HG21 ILE A 78 6.814 0.738 -3.708 1.00 2.24 H new ATOM 0 HG22 ILE A 78 8.056 0.919 -4.969 1.00 2.24 H new ATOM 0 HG23 ILE A 78 8.534 0.815 -3.259 1.00 2.24 H new ATOM 0 HD11 ILE A 78 5.507 2.926 -1.111 1.00 45.25 H new ATOM 0 HD12 ILE A 78 5.077 2.977 -2.837 1.00 45.25 H new ATOM 0 HD13 ILE A 78 5.798 1.506 -2.142 1.00 45.25 H new ATOM 1118 N PHE A 79 8.675 5.420 -5.371 1.00 51.11 N ATOM 1119 CA PHE A 79 8.654 6.851 -5.503 1.00 22.34 C ATOM 1120 C PHE A 79 7.248 7.409 -5.391 1.00 52.45 C ATOM 1121 O PHE A 79 6.332 7.006 -6.116 1.00 42.31 O ATOM 1122 CB PHE A 79 9.335 7.314 -6.818 1.00 12.02 C ATOM 1123 CG PHE A 79 8.590 6.962 -8.100 1.00 54.11 C ATOM 1124 CD1 PHE A 79 8.555 5.661 -8.583 1.00 61.11 C ATOM 1125 CD2 PHE A 79 7.914 7.947 -8.806 1.00 23.34 C ATOM 1126 CE1 PHE A 79 7.867 5.352 -9.739 1.00 24.32 C ATOM 1127 CE2 PHE A 79 7.226 7.643 -9.959 1.00 53.53 C ATOM 1128 CZ PHE A 79 7.201 6.345 -10.428 1.00 41.33 C ATOM 0 H PHE A 79 8.493 4.902 -6.231 1.00 51.11 H new ATOM 0 HA PHE A 79 9.232 7.253 -4.671 1.00 22.34 H new ATOM 0 HB2 PHE A 79 9.465 8.396 -6.779 1.00 12.02 H new ATOM 0 HB3 PHE A 79 10.332 6.875 -6.865 1.00 12.02 H new ATOM 0 HD1 PHE A 79 9.073 4.880 -8.047 1.00 61.11 H new ATOM 0 HD2 PHE A 79 7.928 8.965 -8.446 1.00 23.34 H new ATOM 0 HE1 PHE A 79 7.850 4.335 -10.103 1.00 24.32 H new ATOM 0 HE2 PHE A 79 6.705 8.421 -10.497 1.00 53.53 H new ATOM 0 HZ PHE A 79 6.661 6.107 -11.333 1.00 41.33 H new ATOM 1138 N LEU A 80 7.065 8.272 -4.453 1.00 32.14 N ATOM 1139 CA LEU A 80 5.839 8.991 -4.339 1.00 72.40 C ATOM 1140 C LEU A 80 5.955 10.244 -5.191 1.00 72.14 C ATOM 1141 O LEU A 80 6.819 11.097 -4.976 1.00 4.22 O ATOM 1142 CB LEU A 80 5.449 9.236 -2.874 1.00 24.14 C ATOM 1143 CG LEU A 80 4.851 8.004 -2.114 1.00 62.43 C ATOM 1144 CD1 LEU A 80 5.802 6.821 -2.072 1.00 32.42 C ATOM 1145 CD2 LEU A 80 4.427 8.375 -0.705 1.00 51.11 C ATOM 0 H LEU A 80 7.759 8.501 -3.742 1.00 32.14 H new ATOM 0 HA LEU A 80 5.004 8.404 -4.722 1.00 72.40 H new ATOM 0 HB2 LEU A 80 6.332 9.578 -2.335 1.00 24.14 H new ATOM 0 HB3 LEU A 80 4.722 10.047 -2.842 1.00 24.14 H new ATOM 0 HG LEU A 80 3.972 7.700 -2.682 1.00 62.43 H new ATOM 0 HD11 LEU A 80 5.334 5.997 -1.533 1.00 32.42 H new ATOM 0 HD12 LEU A 80 6.034 6.504 -3.089 1.00 32.42 H new ATOM 0 HD13 LEU A 80 6.722 7.111 -1.564 1.00 32.42 H new ATOM 0 HD21 LEU A 80 4.016 7.497 -0.206 1.00 51.11 H new ATOM 0 HD22 LEU A 80 5.291 8.738 -0.149 1.00 51.11 H new ATOM 0 HD23 LEU A 80 3.668 9.156 -0.747 1.00 51.11 H new ATOM 1157 N ASP A 81 5.095 10.312 -6.166 1.00 71.50 N ATOM 1158 CA ASP A 81 5.195 11.247 -7.283 1.00 0.41 C ATOM 1159 C ASP A 81 4.358 12.507 -7.084 1.00 61.35 C ATOM 1160 O ASP A 81 4.447 13.472 -7.852 1.00 61.44 O ATOM 1161 CB ASP A 81 4.791 10.483 -8.569 1.00 3.44 C ATOM 1162 CG ASP A 81 4.591 11.345 -9.785 1.00 24.33 C ATOM 1163 OD1 ASP A 81 5.595 11.762 -10.406 1.00 21.15 O ATOM 1164 OD2 ASP A 81 3.406 11.611 -10.152 1.00 20.35 O ATOM 0 H ASP A 81 4.276 9.707 -6.220 1.00 71.50 H new ATOM 0 HA ASP A 81 6.221 11.607 -7.360 1.00 0.41 H new ATOM 0 HB2 ASP A 81 5.560 9.742 -8.790 1.00 3.44 H new ATOM 0 HB3 ASP A 81 3.868 9.937 -8.374 1.00 3.44 H new ATOM 1169 N ASP A 82 3.598 12.522 -6.041 1.00 54.23 N ATOM 1170 CA ASP A 82 2.703 13.641 -5.753 1.00 44.41 C ATOM 1171 C ASP A 82 3.493 14.822 -5.137 1.00 44.34 C ATOM 1172 O ASP A 82 4.736 14.812 -5.103 1.00 52.20 O ATOM 1173 CB ASP A 82 1.623 13.194 -4.787 1.00 34.50 C ATOM 1174 CG ASP A 82 2.195 12.925 -3.436 1.00 65.11 C ATOM 1175 OD1 ASP A 82 2.898 11.919 -3.286 1.00 21.04 O ATOM 1176 OD2 ASP A 82 1.972 13.742 -2.544 1.00 32.30 O ATOM 0 H ASP A 82 3.564 11.770 -5.352 1.00 54.23 H new ATOM 0 HA ASP A 82 2.246 13.973 -6.686 1.00 44.41 H new ATOM 0 HB2 ASP A 82 0.854 13.963 -4.714 1.00 34.50 H new ATOM 0 HB3 ASP A 82 1.139 12.294 -5.167 1.00 34.50 H new ATOM 1181 N VAL A 83 2.779 15.827 -4.644 1.00 14.50 N ATOM 1182 CA VAL A 83 3.416 17.022 -4.115 1.00 11.52 C ATOM 1183 C VAL A 83 3.013 17.279 -2.628 1.00 73.43 C ATOM 1184 O VAL A 83 3.383 18.294 -2.028 1.00 11.54 O ATOM 1185 CB VAL A 83 3.082 18.262 -5.015 1.00 3.12 C ATOM 1186 CG1 VAL A 83 1.614 18.666 -4.916 1.00 43.24 C ATOM 1187 CG2 VAL A 83 4.018 19.446 -4.749 1.00 72.45 C ATOM 0 H VAL A 83 1.760 15.836 -4.600 1.00 14.50 H new ATOM 0 HA VAL A 83 4.494 16.864 -4.132 1.00 11.52 H new ATOM 0 HB VAL A 83 3.257 17.949 -6.044 1.00 3.12 H new ATOM 0 HG11 VAL A 83 1.430 19.529 -5.556 1.00 43.24 H new ATOM 0 HG12 VAL A 83 0.986 17.835 -5.237 1.00 43.24 H new ATOM 0 HG13 VAL A 83 1.376 18.923 -3.884 1.00 43.24 H new ATOM 0 HG21 VAL A 83 3.745 20.279 -5.397 1.00 72.45 H new ATOM 0 HG22 VAL A 83 3.929 19.753 -3.707 1.00 72.45 H new ATOM 0 HG23 VAL A 83 5.047 19.150 -4.953 1.00 72.45 H new ATOM 1197 N THR A 84 2.321 16.349 -2.023 1.00 24.12 N ATOM 1198 CA THR A 84 1.900 16.506 -0.644 1.00 23.53 C ATOM 1199 C THR A 84 2.487 15.367 0.185 1.00 22.21 C ATOM 1200 O THR A 84 2.077 15.110 1.324 1.00 10.42 O ATOM 1201 CB THR A 84 0.334 16.578 -0.501 1.00 2.01 C ATOM 1202 OG1 THR A 84 -0.042 16.722 0.884 1.00 72.32 O ATOM 1203 CG2 THR A 84 -0.357 15.345 -1.086 1.00 0.30 C ATOM 0 H THR A 84 2.034 15.472 -2.459 1.00 24.12 H new ATOM 0 HA THR A 84 2.277 17.458 -0.271 1.00 23.53 H new ATOM 0 HB THR A 84 0.006 17.451 -1.066 1.00 2.01 H new ATOM 0 HG1 THR A 84 0.536 16.158 1.440 1.00 72.32 H new ATOM 0 HG21 THR A 84 -1.436 15.440 -0.964 1.00 0.30 H new ATOM 0 HG22 THR A 84 -0.118 15.262 -2.146 1.00 0.30 H new ATOM 0 HG23 THR A 84 -0.011 14.452 -0.565 1.00 0.30 H new ATOM 1211 N VAL A 85 3.513 14.781 -0.355 1.00 54.41 N ATOM 1212 CA VAL A 85 4.154 13.643 0.222 1.00 1.24 C ATOM 1213 C VAL A 85 5.130 14.043 1.326 1.00 32.34 C ATOM 1214 O VAL A 85 5.944 14.979 1.175 1.00 12.51 O ATOM 1215 CB VAL A 85 4.883 12.802 -0.876 1.00 0.12 C ATOM 1216 CG1 VAL A 85 5.870 13.644 -1.684 1.00 52.02 C ATOM 1217 CG2 VAL A 85 5.585 11.607 -0.271 1.00 61.51 C ATOM 0 H VAL A 85 3.936 15.090 -1.230 1.00 54.41 H new ATOM 0 HA VAL A 85 3.378 13.027 0.675 1.00 1.24 H new ATOM 0 HB VAL A 85 4.114 12.445 -1.561 1.00 0.12 H new ATOM 0 HG11 VAL A 85 6.353 13.018 -2.435 1.00 52.02 H new ATOM 0 HG12 VAL A 85 5.336 14.456 -2.177 1.00 52.02 H new ATOM 0 HG13 VAL A 85 6.626 14.059 -1.017 1.00 52.02 H new ATOM 0 HG21 VAL A 85 6.083 11.041 -1.058 1.00 61.51 H new ATOM 0 HG22 VAL A 85 6.324 11.948 0.454 1.00 61.51 H new ATOM 0 HG23 VAL A 85 4.855 10.970 0.228 1.00 61.51 H new ATOM 1227 N SER A 86 5.001 13.365 2.442 1.00 50.14 N ATOM 1228 CA SER A 86 5.879 13.527 3.563 1.00 1.43 C ATOM 1229 C SER A 86 7.246 12.939 3.187 1.00 31.33 C ATOM 1230 O SER A 86 7.332 12.102 2.281 1.00 24.34 O ATOM 1231 CB SER A 86 5.270 12.790 4.778 1.00 23.53 C ATOM 1232 OG SER A 86 6.092 12.868 5.935 1.00 43.12 O ATOM 0 H SER A 86 4.267 12.673 2.593 1.00 50.14 H new ATOM 0 HA SER A 86 6.004 14.578 3.824 1.00 1.43 H new ATOM 0 HB2 SER A 86 4.292 13.215 5.003 1.00 23.53 H new ATOM 0 HB3 SER A 86 5.111 11.743 4.520 1.00 23.53 H new ATOM 0 HG SER A 86 6.489 11.990 6.114 1.00 43.12 H new ATOM 1238 N ARG A 87 8.301 13.386 3.861 1.00 12.32 N ATOM 1239 CA ARG A 87 9.662 12.896 3.614 1.00 34.10 C ATOM 1240 C ARG A 87 9.700 11.366 3.686 1.00 14.12 C ATOM 1241 O ARG A 87 10.332 10.697 2.866 1.00 41.14 O ATOM 1242 CB ARG A 87 10.661 13.569 4.569 1.00 45.44 C ATOM 1243 CG ARG A 87 10.303 13.471 6.044 1.00 70.22 C ATOM 1244 CD ARG A 87 11.283 14.235 6.909 1.00 41.44 C ATOM 1245 NE ARG A 87 12.653 13.725 6.777 1.00 41.45 N ATOM 1246 CZ ARG A 87 13.554 13.671 7.763 1.00 32.14 C ATOM 1247 NH1 ARG A 87 13.229 14.049 8.995 1.00 13.14 N ATOM 1248 NH2 ARG A 87 14.771 13.220 7.510 1.00 15.51 N ATOM 0 H ARG A 87 8.242 14.095 4.592 1.00 12.32 H new ATOM 0 HA ARG A 87 9.967 13.170 2.604 1.00 34.10 H new ATOM 0 HB2 ARG A 87 11.643 13.121 4.418 1.00 45.44 H new ATOM 0 HB3 ARG A 87 10.746 14.622 4.300 1.00 45.44 H new ATOM 0 HG2 ARG A 87 9.297 13.861 6.201 1.00 70.22 H new ATOM 0 HG3 ARG A 87 10.290 12.424 6.347 1.00 70.22 H new ATOM 0 HD2 ARG A 87 11.262 15.290 6.635 1.00 41.44 H new ATOM 0 HD3 ARG A 87 10.972 14.170 7.952 1.00 41.44 H new ATOM 0 HE ARG A 87 12.941 13.385 5.859 1.00 41.45 H new ATOM 0 HH11 ARG A 87 12.286 14.383 9.194 1.00 13.14 H new ATOM 0 HH12 ARG A 87 13.922 14.005 9.742 1.00 13.14 H new ATOM 0 HH21 ARG A 87 15.017 12.916 6.568 1.00 15.51 H new ATOM 0 HH22 ARG A 87 15.464 13.176 8.257 1.00 15.51 H new ATOM 1262 N ARG A 88 9.006 10.839 4.656 1.00 51.02 N ATOM 1263 CA ARG A 88 8.714 9.442 4.755 1.00 53.13 C ATOM 1264 C ARG A 88 7.289 9.407 5.182 1.00 71.34 C ATOM 1265 O ARG A 88 6.918 10.151 6.104 1.00 75.53 O ATOM 1266 CB ARG A 88 9.578 8.664 5.781 1.00 1.52 C ATOM 1267 CG ARG A 88 11.082 8.631 5.532 1.00 42.50 C ATOM 1268 CD ARG A 88 11.780 9.927 5.928 1.00 5.41 C ATOM 1269 NE ARG A 88 11.594 10.222 7.354 1.00 71.32 N ATOM 1270 CZ ARG A 88 12.549 10.136 8.291 1.00 3.30 C ATOM 1271 NH1 ARG A 88 13.798 9.790 7.951 1.00 1.35 N ATOM 1272 NH2 ARG A 88 12.253 10.396 9.564 1.00 51.22 N ATOM 0 H ARG A 88 8.617 11.390 5.422 1.00 51.02 H new ATOM 0 HA ARG A 88 8.926 8.954 3.804 1.00 53.13 H new ATOM 0 HB2 ARG A 88 9.407 9.097 6.766 1.00 1.52 H new ATOM 0 HB3 ARG A 88 9.218 7.636 5.818 1.00 1.52 H new ATOM 0 HG2 ARG A 88 11.519 7.804 6.091 1.00 42.50 H new ATOM 0 HG3 ARG A 88 11.266 8.434 4.476 1.00 42.50 H new ATOM 0 HD2 ARG A 88 12.845 9.851 5.707 1.00 5.41 H new ATOM 0 HD3 ARG A 88 11.388 10.750 5.331 1.00 5.41 H new ATOM 0 HE ARG A 88 10.665 10.516 7.656 1.00 71.32 H new ATOM 0 HH11 ARG A 88 14.025 9.591 6.977 1.00 1.35 H new ATOM 0 HH12 ARG A 88 14.522 9.726 8.667 1.00 1.35 H new ATOM 0 HH21 ARG A 88 11.302 10.659 9.823 1.00 51.22 H new ATOM 0 HH22 ARG A 88 12.977 10.331 10.279 1.00 51.22 H new ATOM 1286 N HIS A 89 6.476 8.640 4.530 1.00 15.43 N ATOM 1287 CA HIS A 89 5.080 8.641 4.868 1.00 13.51 C ATOM 1288 C HIS A 89 4.702 7.353 5.584 1.00 12.21 C ATOM 1289 O HIS A 89 4.354 7.365 6.751 1.00 20.43 O ATOM 1290 CB HIS A 89 4.209 8.880 3.618 1.00 0.30 C ATOM 1291 CG HIS A 89 2.758 9.111 3.930 1.00 11.32 C ATOM 1292 ND1 HIS A 89 2.269 10.373 4.146 1.00 11.44 N ATOM 1293 CD2 HIS A 89 1.759 8.215 4.087 1.00 71.43 C ATOM 1294 CE1 HIS A 89 0.987 10.213 4.434 1.00 32.54 C ATOM 1295 NE2 HIS A 89 0.635 8.923 4.415 1.00 32.51 N ATOM 0 H HIS A 89 6.743 8.012 3.772 1.00 15.43 H new ATOM 0 HA HIS A 89 4.891 9.467 5.554 1.00 13.51 H new ATOM 0 HB2 HIS A 89 4.597 9.742 3.075 1.00 0.30 H new ATOM 0 HB3 HIS A 89 4.297 8.020 2.955 1.00 0.30 H new ATOM 0 HD2 HIS A 89 1.833 7.143 3.975 1.00 71.43 H new ATOM 0 HE1 HIS A 89 0.309 11.024 4.657 1.00 32.54 H new ATOM 0 HE2 HIS A 89 -0.291 8.541 4.608 1.00 32.51 H new ATOM 1303 N ALA A 90 4.819 6.253 4.916 1.00 55.21 N ATOM 1304 CA ALA A 90 4.431 5.010 5.508 1.00 43.30 C ATOM 1305 C ALA A 90 5.457 3.963 5.219 1.00 51.25 C ATOM 1306 O ALA A 90 5.835 3.754 4.064 1.00 75.15 O ATOM 1307 CB ALA A 90 3.063 4.576 4.998 1.00 3.20 C ATOM 0 H ALA A 90 5.178 6.186 3.964 1.00 55.21 H new ATOM 0 HA ALA A 90 4.362 5.144 6.588 1.00 43.30 H new ATOM 0 HB1 ALA A 90 2.786 3.628 5.460 1.00 3.20 H new ATOM 0 HB2 ALA A 90 2.322 5.334 5.253 1.00 3.20 H new ATOM 0 HB3 ALA A 90 3.100 4.454 3.915 1.00 3.20 H new ATOM 1313 N GLU A 91 5.946 3.340 6.239 1.00 34.32 N ATOM 1314 CA GLU A 91 6.861 2.266 6.035 1.00 4.21 C ATOM 1315 C GLU A 91 6.077 0.976 6.120 1.00 42.01 C ATOM 1316 O GLU A 91 5.342 0.749 7.090 1.00 30.14 O ATOM 1317 CB GLU A 91 7.997 2.286 7.070 1.00 33.11 C ATOM 1318 CG GLU A 91 9.095 1.261 6.789 1.00 11.33 C ATOM 1319 CD GLU A 91 10.198 1.266 7.821 1.00 51.44 C ATOM 1320 OE1 GLU A 91 11.064 2.175 7.789 1.00 30.42 O ATOM 1321 OE2 GLU A 91 10.249 0.347 8.654 1.00 54.01 O ATOM 0 H GLU A 91 5.731 3.552 7.213 1.00 34.32 H new ATOM 0 HA GLU A 91 7.333 2.363 5.057 1.00 4.21 H new ATOM 0 HB2 GLU A 91 8.438 3.282 7.094 1.00 33.11 H new ATOM 0 HB3 GLU A 91 7.580 2.098 8.059 1.00 33.11 H new ATOM 0 HG2 GLU A 91 8.651 0.266 6.747 1.00 11.33 H new ATOM 0 HG3 GLU A 91 9.525 1.460 5.807 1.00 11.33 H new ATOM 1328 N PHE A 92 6.213 0.161 5.119 1.00 61.30 N ATOM 1329 CA PHE A 92 5.547 -1.101 5.063 1.00 61.54 C ATOM 1330 C PHE A 92 6.570 -2.164 5.322 1.00 64.21 C ATOM 1331 O PHE A 92 7.508 -2.355 4.536 1.00 5.32 O ATOM 1332 CB PHE A 92 4.895 -1.329 3.689 1.00 52.11 C ATOM 1333 CG PHE A 92 3.834 -0.328 3.320 1.00 11.05 C ATOM 1334 CD1 PHE A 92 2.517 -0.525 3.699 1.00 73.33 C ATOM 1335 CD2 PHE A 92 4.152 0.803 2.585 1.00 0.44 C ATOM 1336 CE1 PHE A 92 1.538 0.387 3.354 1.00 32.11 C ATOM 1337 CE2 PHE A 92 3.178 1.717 2.240 1.00 62.51 C ATOM 1338 CZ PHE A 92 1.869 1.509 2.624 1.00 10.21 C ATOM 0 H PHE A 92 6.798 0.358 4.307 1.00 61.30 H new ATOM 0 HA PHE A 92 4.753 -1.129 5.809 1.00 61.54 H new ATOM 0 HB2 PHE A 92 5.673 -1.311 2.926 1.00 52.11 H new ATOM 0 HB3 PHE A 92 4.455 -2.326 3.672 1.00 52.11 H new ATOM 0 HD1 PHE A 92 2.252 -1.402 4.271 1.00 73.33 H new ATOM 0 HD2 PHE A 92 5.174 0.971 2.279 1.00 0.44 H new ATOM 0 HE1 PHE A 92 0.514 0.221 3.656 1.00 32.11 H new ATOM 0 HE2 PHE A 92 3.440 2.596 1.669 1.00 62.51 H new ATOM 0 HZ PHE A 92 1.106 2.223 2.353 1.00 10.21 H new ATOM 1348 N ARG A 93 6.433 -2.814 6.413 1.00 62.22 N ATOM 1349 CA ARG A 93 7.349 -3.829 6.794 1.00 61.05 C ATOM 1350 C ARG A 93 6.624 -5.160 6.785 1.00 24.22 C ATOM 1351 O ARG A 93 5.574 -5.309 7.411 1.00 60.51 O ATOM 1352 CB ARG A 93 7.901 -3.510 8.177 1.00 65.13 C ATOM 1353 CG ARG A 93 9.043 -4.395 8.606 1.00 23.32 C ATOM 1354 CD ARG A 93 9.564 -3.992 9.969 1.00 21.30 C ATOM 1355 NE ARG A 93 9.997 -2.581 10.005 1.00 61.54 N ATOM 1356 CZ ARG A 93 10.505 -1.964 11.071 1.00 5.45 C ATOM 1357 NH1 ARG A 93 10.725 -2.642 12.198 1.00 1.02 N ATOM 1358 NH2 ARG A 93 10.800 -0.671 11.001 1.00 62.42 N ATOM 0 H ARG A 93 5.675 -2.659 7.078 1.00 62.22 H new ATOM 0 HA ARG A 93 8.186 -3.880 6.097 1.00 61.05 H new ATOM 0 HB2 ARG A 93 8.235 -2.472 8.192 1.00 65.13 H new ATOM 0 HB3 ARG A 93 7.095 -3.596 8.906 1.00 65.13 H new ATOM 0 HG2 ARG A 93 8.712 -5.433 8.632 1.00 23.32 H new ATOM 0 HG3 ARG A 93 9.848 -4.335 7.874 1.00 23.32 H new ATOM 0 HD2 ARG A 93 8.786 -4.151 10.715 1.00 21.30 H new ATOM 0 HD3 ARG A 93 10.402 -4.634 10.241 1.00 21.30 H new ATOM 0 HE ARG A 93 9.900 -2.037 9.148 1.00 61.54 H new ATOM 0 HH11 ARG A 93 10.504 -3.637 12.246 1.00 1.02 H new ATOM 0 HH12 ARG A 93 11.114 -2.166 13.012 1.00 1.02 H new ATOM 0 HH21 ARG A 93 10.637 -0.157 10.135 1.00 62.42 H new ATOM 0 HH22 ARG A 93 11.189 -0.192 11.813 1.00 62.42 H new ATOM 1372 N ILE A 94 7.158 -6.114 6.098 1.00 75.41 N ATOM 1373 CA ILE A 94 6.518 -7.387 6.011 1.00 62.33 C ATOM 1374 C ILE A 94 7.375 -8.439 6.662 1.00 13.33 C ATOM 1375 O ILE A 94 8.532 -8.671 6.284 1.00 61.02 O ATOM 1376 CB ILE A 94 6.094 -7.752 4.516 1.00 25.52 C ATOM 1377 CG1 ILE A 94 5.364 -9.135 4.371 1.00 70.35 C ATOM 1378 CG2 ILE A 94 7.262 -7.657 3.545 1.00 50.31 C ATOM 1379 CD1 ILE A 94 6.237 -10.392 4.413 1.00 34.13 C ATOM 0 H ILE A 94 8.038 -6.038 5.587 1.00 75.41 H new ATOM 0 HA ILE A 94 5.580 -7.342 6.564 1.00 62.33 H new ATOM 0 HB ILE A 94 5.360 -6.991 4.250 1.00 25.52 H new ATOM 0 HG12 ILE A 94 4.623 -9.211 5.166 1.00 70.35 H new ATOM 0 HG13 ILE A 94 4.819 -9.133 3.427 1.00 70.35 H new ATOM 0 HG21 ILE A 94 6.923 -7.915 2.542 1.00 50.31 H new ATOM 0 HG22 ILE A 94 7.654 -6.640 3.546 1.00 50.31 H new ATOM 0 HG23 ILE A 94 8.047 -8.348 3.851 1.00 50.31 H new ATOM 0 HD11 ILE A 94 5.608 -11.275 4.302 1.00 34.13 H new ATOM 0 HD12 ILE A 94 6.962 -10.358 3.600 1.00 34.13 H new ATOM 0 HD13 ILE A 94 6.763 -10.438 5.367 1.00 34.13 H new ATOM 1391 N ASN A 95 6.835 -9.002 7.693 1.00 33.11 N ATOM 1392 CA ASN A 95 7.437 -10.093 8.371 1.00 23.14 C ATOM 1393 C ASN A 95 6.607 -11.286 8.047 1.00 54.24 C ATOM 1394 O ASN A 95 5.402 -11.151 7.860 1.00 71.43 O ATOM 1395 CB ASN A 95 7.487 -9.876 9.897 1.00 71.13 C ATOM 1396 CG ASN A 95 8.181 -11.029 10.628 1.00 55.53 C ATOM 1397 OD1 ASN A 95 9.075 -11.677 10.086 1.00 12.21 O ATOM 1398 ND2 ASN A 95 7.761 -11.309 11.838 1.00 22.43 N ATOM 0 H ASN A 95 5.944 -8.707 8.093 1.00 33.11 H new ATOM 0 HA ASN A 95 8.472 -10.211 8.050 1.00 23.14 H new ATOM 0 HB2 ASN A 95 8.012 -8.945 10.112 1.00 71.13 H new ATOM 0 HB3 ASN A 95 6.472 -9.766 10.279 1.00 71.13 H new ATOM 0 HD21 ASN A 95 8.178 -12.082 12.356 1.00 22.43 H new ATOM 0 HD22 ASN A 95 7.018 -10.753 12.261 1.00 22.43 H new ATOM 1405 N GLU A 96 7.243 -12.424 7.935 1.00 64.12 N ATOM 1406 CA GLU A 96 6.588 -13.696 7.630 1.00 71.45 C ATOM 1407 C GLU A 96 5.382 -13.965 8.557 1.00 60.13 C ATOM 1408 O GLU A 96 4.429 -14.616 8.169 1.00 11.10 O ATOM 1409 CB GLU A 96 7.629 -14.817 7.727 1.00 32.34 C ATOM 1410 CG GLU A 96 8.374 -14.841 9.051 1.00 52.14 C ATOM 1411 CD GLU A 96 9.493 -15.838 9.083 1.00 33.22 C ATOM 1412 OE1 GLU A 96 10.640 -15.478 8.705 1.00 73.41 O ATOM 1413 OE2 GLU A 96 9.277 -16.975 9.513 1.00 23.21 O ATOM 0 H GLU A 96 8.253 -12.507 8.054 1.00 64.12 H new ATOM 0 HA GLU A 96 6.186 -13.654 6.618 1.00 71.45 H new ATOM 0 HB2 GLU A 96 7.132 -15.776 7.581 1.00 32.34 H new ATOM 0 HB3 GLU A 96 8.349 -14.704 6.916 1.00 32.34 H new ATOM 0 HG2 GLU A 96 8.776 -13.848 9.252 1.00 52.14 H new ATOM 0 HG3 GLU A 96 7.671 -15.069 9.852 1.00 52.14 H new ATOM 1420 N GLY A 97 5.431 -13.419 9.763 1.00 2.22 N ATOM 1421 CA GLY A 97 4.356 -13.593 10.683 1.00 3.01 C ATOM 1422 C GLY A 97 3.243 -12.580 10.483 1.00 24.32 C ATOM 1423 O GLY A 97 2.064 -12.951 10.340 1.00 14.34 O ATOM 0 H GLY A 97 6.208 -12.857 10.111 1.00 2.22 H new ATOM 0 HA2 GLY A 97 3.950 -14.599 10.575 1.00 3.01 H new ATOM 0 HA3 GLY A 97 4.738 -13.511 11.701 1.00 3.01 H new ATOM 1427 N GLU A 98 3.605 -11.303 10.441 1.00 32.11 N ATOM 1428 CA GLU A 98 2.631 -10.231 10.387 1.00 33.12 C ATOM 1429 C GLU A 98 3.124 -9.090 9.522 1.00 53.24 C ATOM 1430 O GLU A 98 4.338 -8.874 9.377 1.00 3.50 O ATOM 1431 CB GLU A 98 2.353 -9.697 11.794 1.00 54.21 C ATOM 1432 CG GLU A 98 1.691 -10.691 12.733 1.00 73.22 C ATOM 1433 CD GLU A 98 1.759 -10.256 14.164 1.00 75.33 C ATOM 1434 OE1 GLU A 98 2.862 -10.322 14.740 1.00 14.21 O ATOM 1435 OE2 GLU A 98 0.717 -9.924 14.770 1.00 42.03 O ATOM 0 H GLU A 98 4.575 -10.988 10.444 1.00 32.11 H new ATOM 0 HA GLU A 98 1.717 -10.638 9.955 1.00 33.12 H new ATOM 0 HB2 GLU A 98 3.295 -9.372 12.237 1.00 54.21 H new ATOM 0 HB3 GLU A 98 1.717 -8.815 11.714 1.00 54.21 H new ATOM 0 HG2 GLU A 98 0.648 -10.820 12.444 1.00 73.22 H new ATOM 0 HG3 GLU A 98 2.173 -11.663 12.628 1.00 73.22 H new ATOM 1442 N PHE A 99 2.193 -8.366 8.973 1.00 43.42 N ATOM 1443 CA PHE A 99 2.471 -7.204 8.168 1.00 44.12 C ATOM 1444 C PHE A 99 2.377 -5.968 9.064 1.00 55.32 C ATOM 1445 O PHE A 99 1.347 -5.743 9.695 1.00 61.32 O ATOM 1446 CB PHE A 99 1.433 -7.090 7.035 1.00 74.23 C ATOM 1447 CG PHE A 99 1.436 -8.202 6.013 1.00 5.54 C ATOM 1448 CD1 PHE A 99 0.862 -9.434 6.292 1.00 4.20 C ATOM 1449 CD2 PHE A 99 1.984 -8.002 4.762 1.00 50.54 C ATOM 1450 CE1 PHE A 99 0.844 -10.441 5.353 1.00 22.41 C ATOM 1451 CE2 PHE A 99 1.970 -9.013 3.816 1.00 72.13 C ATOM 1452 CZ PHE A 99 1.398 -10.229 4.112 1.00 33.33 C ATOM 0 H PHE A 99 1.198 -8.568 9.072 1.00 43.42 H new ATOM 0 HA PHE A 99 3.466 -7.285 7.729 1.00 44.12 H new ATOM 0 HB2 PHE A 99 0.441 -7.040 7.483 1.00 74.23 H new ATOM 0 HB3 PHE A 99 1.596 -6.146 6.515 1.00 74.23 H new ATOM 0 HD1 PHE A 99 0.421 -9.606 7.263 1.00 4.20 H new ATOM 0 HD2 PHE A 99 2.428 -7.048 4.519 1.00 50.54 H new ATOM 0 HE1 PHE A 99 0.396 -11.395 5.590 1.00 22.41 H new ATOM 0 HE2 PHE A 99 2.409 -8.847 2.843 1.00 72.13 H new ATOM 0 HZ PHE A 99 1.384 -11.015 3.372 1.00 33.33 H new ATOM 1462 N GLU A 100 3.416 -5.183 9.124 1.00 34.44 N ATOM 1463 CA GLU A 100 3.420 -4.010 9.976 1.00 23.23 C ATOM 1464 C GLU A 100 3.527 -2.754 9.123 1.00 12.20 C ATOM 1465 O GLU A 100 4.319 -2.695 8.184 1.00 31.34 O ATOM 1466 CB GLU A 100 4.581 -4.081 10.990 1.00 52.14 C ATOM 1467 CG GLU A 100 4.577 -2.963 12.038 1.00 72.22 C ATOM 1468 CD GLU A 100 5.716 -3.082 13.026 1.00 61.03 C ATOM 1469 OE1 GLU A 100 5.741 -4.041 13.805 1.00 25.44 O ATOM 1470 OE2 GLU A 100 6.603 -2.204 13.062 1.00 73.10 O ATOM 0 H GLU A 100 4.276 -5.328 8.595 1.00 34.44 H new ATOM 0 HA GLU A 100 2.485 -3.976 10.536 1.00 23.23 H new ATOM 0 HB2 GLU A 100 4.541 -5.042 11.502 1.00 52.14 H new ATOM 0 HB3 GLU A 100 5.525 -4.049 10.446 1.00 52.14 H new ATOM 0 HG2 GLU A 100 4.639 -1.998 11.534 1.00 72.22 H new ATOM 0 HG3 GLU A 100 3.630 -2.981 12.578 1.00 72.22 H new ATOM 1477 N VAL A 101 2.720 -1.782 9.421 1.00 25.20 N ATOM 1478 CA VAL A 101 2.761 -0.525 8.725 1.00 15.12 C ATOM 1479 C VAL A 101 2.930 0.604 9.735 1.00 74.33 C ATOM 1480 O VAL A 101 2.198 0.688 10.737 1.00 41.31 O ATOM 1481 CB VAL A 101 1.507 -0.303 7.805 1.00 23.15 C ATOM 1482 CG1 VAL A 101 0.200 -0.335 8.589 1.00 34.20 C ATOM 1483 CG2 VAL A 101 1.630 0.999 7.018 1.00 4.22 C ATOM 0 H VAL A 101 2.012 -1.834 10.154 1.00 25.20 H new ATOM 0 HA VAL A 101 3.619 -0.534 8.052 1.00 15.12 H new ATOM 0 HB VAL A 101 1.481 -1.135 7.101 1.00 23.15 H new ATOM 0 HG11 VAL A 101 -0.637 -0.177 7.908 1.00 34.20 H new ATOM 0 HG12 VAL A 101 0.092 -1.304 9.077 1.00 34.20 H new ATOM 0 HG13 VAL A 101 0.208 0.452 9.343 1.00 34.20 H new ATOM 0 HG21 VAL A 101 0.749 1.129 6.389 1.00 4.22 H new ATOM 0 HG22 VAL A 101 1.708 1.837 7.711 1.00 4.22 H new ATOM 0 HG23 VAL A 101 2.521 0.963 6.391 1.00 4.22 H new ATOM 1493 N VAL A 102 3.925 1.415 9.523 1.00 71.01 N ATOM 1494 CA VAL A 102 4.203 2.520 10.416 1.00 13.12 C ATOM 1495 C VAL A 102 3.993 3.838 9.701 1.00 64.32 C ATOM 1496 O VAL A 102 4.597 4.085 8.644 1.00 61.51 O ATOM 1497 CB VAL A 102 5.656 2.469 10.961 1.00 43.21 C ATOM 1498 CG1 VAL A 102 5.912 3.599 11.958 1.00 61.21 C ATOM 1499 CG2 VAL A 102 5.942 1.127 11.602 1.00 72.44 C ATOM 0 H VAL A 102 4.567 1.337 8.734 1.00 71.01 H new ATOM 0 HA VAL A 102 3.514 2.435 11.256 1.00 13.12 H new ATOM 0 HB VAL A 102 6.332 2.602 10.116 1.00 43.21 H new ATOM 0 HG11 VAL A 102 6.937 3.537 12.322 1.00 61.21 H new ATOM 0 HG12 VAL A 102 5.759 4.560 11.466 1.00 61.21 H new ATOM 0 HG13 VAL A 102 5.223 3.507 12.797 1.00 61.21 H new ATOM 0 HG21 VAL A 102 6.965 1.114 11.977 1.00 72.44 H new ATOM 0 HG22 VAL A 102 5.251 0.964 12.429 1.00 72.44 H new ATOM 0 HG23 VAL A 102 5.816 0.336 10.862 1.00 72.44 H new ATOM 1509 N ASP A 103 3.144 4.667 10.255 1.00 4.55 N ATOM 1510 CA ASP A 103 2.899 5.977 9.717 1.00 61.20 C ATOM 1511 C ASP A 103 3.849 6.969 10.313 1.00 62.22 C ATOM 1512 O ASP A 103 3.870 7.195 11.525 1.00 40.52 O ATOM 1513 CB ASP A 103 1.463 6.449 9.953 1.00 1.23 C ATOM 1514 CG ASP A 103 1.275 7.914 9.560 1.00 13.43 C ATOM 1515 OD1 ASP A 103 1.372 8.237 8.365 1.00 15.02 O ATOM 1516 OD2 ASP A 103 1.053 8.762 10.454 1.00 13.03 O ATOM 0 H ASP A 103 2.604 4.450 11.093 1.00 4.55 H new ATOM 0 HA ASP A 103 3.054 5.908 8.640 1.00 61.20 H new ATOM 0 HB2 ASP A 103 0.777 5.827 9.378 1.00 1.23 H new ATOM 0 HB3 ASP A 103 1.206 6.319 11.004 1.00 1.23 H new ATOM 1521 N VAL A 104 4.662 7.508 9.482 1.00 32.21 N ATOM 1522 CA VAL A 104 5.556 8.569 9.844 1.00 12.24 C ATOM 1523 C VAL A 104 5.207 9.791 9.006 1.00 31.43 C ATOM 1524 O VAL A 104 5.919 10.805 8.993 1.00 41.04 O ATOM 1525 CB VAL A 104 7.059 8.174 9.687 1.00 41.15 C ATOM 1526 CG1 VAL A 104 7.464 7.171 10.758 1.00 62.13 C ATOM 1527 CG2 VAL A 104 7.326 7.580 8.314 1.00 54.22 C ATOM 0 H VAL A 104 4.734 7.224 8.505 1.00 32.21 H new ATOM 0 HA VAL A 104 5.428 8.792 10.903 1.00 12.24 H new ATOM 0 HB VAL A 104 7.652 9.082 9.800 1.00 41.15 H new ATOM 0 HG11 VAL A 104 8.514 6.908 10.632 1.00 62.13 H new ATOM 0 HG12 VAL A 104 7.316 7.612 11.744 1.00 62.13 H new ATOM 0 HG13 VAL A 104 6.852 6.274 10.666 1.00 62.13 H new ATOM 0 HG21 VAL A 104 8.380 7.314 8.231 1.00 54.22 H new ATOM 0 HG22 VAL A 104 6.715 6.688 8.178 1.00 54.22 H new ATOM 0 HG23 VAL A 104 7.075 8.312 7.546 1.00 54.22 H new ATOM 1537 N GLY A 105 4.068 9.693 8.346 1.00 15.42 N ATOM 1538 CA GLY A 105 3.558 10.737 7.528 1.00 55.13 C ATOM 1539 C GLY A 105 2.345 11.336 8.166 1.00 71.02 C ATOM 1540 O GLY A 105 1.418 11.796 7.480 1.00 33.42 O ATOM 0 H GLY A 105 3.474 8.865 8.375 1.00 15.42 H new ATOM 0 HA2 GLY A 105 4.320 11.503 7.384 1.00 55.13 H new ATOM 0 HA3 GLY A 105 3.306 10.348 6.541 1.00 55.13 H new ATOM 1544 N SER A 106 2.372 11.381 9.507 1.00 12.44 N ATOM 1545 CA SER A 106 1.300 11.925 10.353 1.00 42.12 C ATOM 1546 C SER A 106 1.114 13.420 10.079 1.00 43.31 C ATOM 1547 O SER A 106 0.161 14.056 10.537 1.00 64.31 O ATOM 1548 CB SER A 106 1.712 11.727 11.784 1.00 10.00 C ATOM 1549 OG SER A 106 2.398 10.480 11.927 1.00 14.25 O ATOM 0 H SER A 106 3.163 11.030 10.047 1.00 12.44 H new ATOM 0 HA SER A 106 0.358 11.418 10.141 1.00 42.12 H new ATOM 0 HB2 SER A 106 2.358 12.545 12.102 1.00 10.00 H new ATOM 0 HB3 SER A 106 0.834 11.745 12.430 1.00 10.00 H new ATOM 0 HG SER A 106 1.923 9.786 11.424 1.00 14.25 H new ATOM 1555 N LEU A 107 2.052 13.950 9.322 1.00 43.24 N ATOM 1556 CA LEU A 107 2.055 15.293 8.832 1.00 34.45 C ATOM 1557 C LEU A 107 0.780 15.495 8.012 1.00 50.35 C ATOM 1558 O LEU A 107 0.128 16.541 8.078 1.00 21.42 O ATOM 1559 CB LEU A 107 3.293 15.432 7.943 1.00 64.44 C ATOM 1560 CG LEU A 107 3.608 16.801 7.362 1.00 54.13 C ATOM 1561 CD1 LEU A 107 3.868 17.801 8.463 1.00 31.02 C ATOM 1562 CD2 LEU A 107 4.815 16.703 6.460 1.00 33.10 C ATOM 0 H LEU A 107 2.870 13.420 9.022 1.00 43.24 H new ATOM 0 HA LEU A 107 2.083 16.033 9.632 1.00 34.45 H new ATOM 0 HB2 LEU A 107 4.158 15.109 8.523 1.00 64.44 H new ATOM 0 HB3 LEU A 107 3.187 14.734 7.113 1.00 64.44 H new ATOM 0 HG LEU A 107 2.749 17.142 6.784 1.00 54.13 H new ATOM 0 HD11 LEU A 107 4.091 18.774 8.025 1.00 31.02 H new ATOM 0 HD12 LEU A 107 2.985 17.882 9.097 1.00 31.02 H new ATOM 0 HD13 LEU A 107 4.716 17.470 9.063 1.00 31.02 H new ATOM 0 HD21 LEU A 107 5.039 17.685 6.044 1.00 33.10 H new ATOM 0 HD22 LEU A 107 5.671 16.348 7.034 1.00 33.10 H new ATOM 0 HD23 LEU A 107 4.608 16.005 5.649 1.00 33.10 H new ATOM 1574 N ASN A 108 0.409 14.462 7.284 1.00 2.33 N ATOM 1575 CA ASN A 108 -0.805 14.466 6.511 1.00 4.44 C ATOM 1576 C ASN A 108 -1.797 13.514 7.135 1.00 21.30 C ATOM 1577 O ASN A 108 -2.988 13.830 7.260 1.00 32.43 O ATOM 1578 CB ASN A 108 -0.544 14.132 5.043 1.00 1.12 C ATOM 1579 CG ASN A 108 0.395 15.129 4.398 1.00 30.43 C ATOM 1580 OD1 ASN A 108 1.609 14.939 4.395 1.00 55.24 O ATOM 1581 ND2 ASN A 108 -0.142 16.212 3.886 1.00 33.32 N ATOM 0 H ASN A 108 0.945 13.597 7.215 1.00 2.33 H new ATOM 0 HA ASN A 108 -1.227 15.471 6.523 1.00 4.44 H new ATOM 0 HB2 ASN A 108 -0.119 13.131 4.968 1.00 1.12 H new ATOM 0 HB3 ASN A 108 -1.489 14.118 4.500 1.00 1.12 H new ATOM 0 HD21 ASN A 108 0.453 16.928 3.469 1.00 33.32 H new ATOM 0 HD22 ASN A 108 -1.154 16.338 3.905 1.00 33.32 H new ATOM 1588 N GLY A 109 -1.305 12.365 7.571 1.00 0.44 N ATOM 1589 CA GLY A 109 -2.137 11.438 8.297 1.00 71.41 C ATOM 1590 C GLY A 109 -2.514 10.199 7.533 1.00 24.50 C ATOM 1591 O GLY A 109 -3.068 10.271 6.437 1.00 40.44 O ATOM 0 H GLY A 109 -0.341 12.060 7.433 1.00 0.44 H new ATOM 0 HA2 GLY A 109 -1.618 11.142 9.208 1.00 71.41 H new ATOM 0 HA3 GLY A 109 -3.049 11.952 8.602 1.00 71.41 H new ATOM 1595 N THR A 110 -2.196 9.076 8.098 1.00 65.13 N ATOM 1596 CA THR A 110 -2.600 7.804 7.571 1.00 34.14 C ATOM 1597 C THR A 110 -3.661 7.210 8.508 1.00 53.11 C ATOM 1598 O THR A 110 -3.404 7.018 9.713 1.00 71.01 O ATOM 1599 CB THR A 110 -1.381 6.867 7.460 1.00 64.31 C ATOM 1600 OG1 THR A 110 -0.400 7.479 6.601 1.00 13.05 O ATOM 1601 CG2 THR A 110 -1.774 5.505 6.905 1.00 64.12 C ATOM 0 H THR A 110 -1.640 9.013 8.951 1.00 65.13 H new ATOM 0 HA THR A 110 -3.020 7.923 6.572 1.00 34.14 H new ATOM 0 HB THR A 110 -0.968 6.712 8.457 1.00 64.31 H new ATOM 0 HG1 THR A 110 0.194 8.047 7.135 1.00 13.05 H new ATOM 0 HG21 THR A 110 -0.891 4.870 6.840 1.00 64.12 H new ATOM 0 HG22 THR A 110 -2.507 5.041 7.565 1.00 64.12 H new ATOM 0 HG23 THR A 110 -2.206 5.628 5.912 1.00 64.12 H new ATOM 1609 N TYR A 111 -4.848 6.955 7.995 1.00 53.33 N ATOM 1610 CA TYR A 111 -5.895 6.442 8.836 1.00 64.52 C ATOM 1611 C TYR A 111 -6.488 5.132 8.367 1.00 40.52 C ATOM 1612 O TYR A 111 -6.755 4.937 7.181 1.00 5.42 O ATOM 1613 CB TYR A 111 -6.969 7.494 9.209 1.00 14.24 C ATOM 1614 CG TYR A 111 -7.713 8.222 8.105 1.00 35.51 C ATOM 1615 CD1 TYR A 111 -8.820 7.656 7.486 1.00 40.34 C ATOM 1616 CD2 TYR A 111 -7.351 9.515 7.746 1.00 63.14 C ATOM 1617 CE1 TYR A 111 -9.535 8.352 6.528 1.00 3.30 C ATOM 1618 CE2 TYR A 111 -8.069 10.221 6.805 1.00 35.00 C ATOM 1619 CZ TYR A 111 -9.157 9.638 6.200 1.00 11.33 C ATOM 1620 OH TYR A 111 -9.889 10.356 5.272 1.00 53.22 O ATOM 0 H TYR A 111 -5.103 7.093 7.017 1.00 53.33 H new ATOM 0 HA TYR A 111 -5.386 6.200 9.769 1.00 64.52 H new ATOM 0 HB2 TYR A 111 -7.713 6.996 9.831 1.00 14.24 H new ATOM 0 HB3 TYR A 111 -6.486 8.248 9.831 1.00 14.24 H new ATOM 0 HD1 TYR A 111 -9.127 6.657 7.757 1.00 40.34 H new ATOM 0 HD2 TYR A 111 -6.492 9.974 8.213 1.00 63.14 H new ATOM 0 HE1 TYR A 111 -10.382 7.893 6.041 1.00 3.30 H new ATOM 0 HE2 TYR A 111 -7.778 11.228 6.544 1.00 35.00 H new ATOM 0 HH TYR A 111 -9.490 11.243 5.156 1.00 53.22 H new ATOM 1630 N VAL A 112 -6.673 4.233 9.326 1.00 11.34 N ATOM 1631 CA VAL A 112 -7.229 2.918 9.081 1.00 73.23 C ATOM 1632 C VAL A 112 -8.657 2.904 9.586 1.00 10.32 C ATOM 1633 O VAL A 112 -8.943 3.410 10.700 1.00 11.25 O ATOM 1634 CB VAL A 112 -6.380 1.751 9.714 1.00 20.23 C ATOM 1635 CG1 VAL A 112 -4.942 1.805 9.236 1.00 62.33 C ATOM 1636 CG2 VAL A 112 -6.421 1.756 11.235 1.00 4.22 C ATOM 0 H VAL A 112 -6.437 4.403 10.304 1.00 11.34 H new ATOM 0 HA VAL A 112 -7.205 2.730 8.008 1.00 73.23 H new ATOM 0 HB VAL A 112 -6.837 0.821 9.377 1.00 20.23 H new ATOM 0 HG11 VAL A 112 -4.378 0.989 9.687 1.00 62.33 H new ATOM 0 HG12 VAL A 112 -4.915 1.708 8.151 1.00 62.33 H new ATOM 0 HG13 VAL A 112 -4.498 2.757 9.526 1.00 62.33 H new ATOM 0 HG21 VAL A 112 -5.820 0.931 11.618 1.00 4.22 H new ATOM 0 HG22 VAL A 112 -6.022 2.700 11.607 1.00 4.22 H new ATOM 0 HG23 VAL A 112 -7.451 1.640 11.572 1.00 4.22 H new ATOM 1646 N ASN A 113 -9.532 2.328 8.790 1.00 20.33 N ATOM 1647 CA ASN A 113 -10.983 2.389 8.965 1.00 13.13 C ATOM 1648 C ASN A 113 -11.427 3.839 8.861 1.00 4.14 C ATOM 1649 O ASN A 113 -11.794 4.322 7.780 1.00 33.44 O ATOM 1650 CB ASN A 113 -11.502 1.742 10.287 1.00 23.00 C ATOM 1651 CG ASN A 113 -11.278 0.236 10.405 1.00 20.20 C ATOM 1652 OD1 ASN A 113 -11.151 -0.300 11.514 1.00 14.51 O ATOM 1653 ND2 ASN A 113 -11.226 -0.451 9.305 1.00 41.14 N ATOM 0 H ASN A 113 -9.252 1.784 7.974 1.00 20.33 H new ATOM 0 HA ASN A 113 -11.426 1.789 8.170 1.00 13.13 H new ATOM 0 HB2 ASN A 113 -11.014 2.233 11.129 1.00 23.00 H new ATOM 0 HB3 ASN A 113 -12.570 1.943 10.376 1.00 23.00 H new ATOM 0 HD21 ASN A 113 -11.077 -1.459 9.340 1.00 41.14 H new ATOM 0 HD22 ASN A 113 -11.334 0.018 8.405 1.00 41.14 H new ATOM 1660 N ARG A 114 -11.310 4.539 9.955 1.00 10.25 N ATOM 1661 CA ARG A 114 -11.629 5.942 10.054 1.00 20.23 C ATOM 1662 C ARG A 114 -10.599 6.675 10.916 1.00 60.44 C ATOM 1663 O ARG A 114 -10.522 7.890 10.872 1.00 13.12 O ATOM 1664 CB ARG A 114 -13.017 6.130 10.694 1.00 23.41 C ATOM 1665 CG ARG A 114 -14.201 5.707 9.841 1.00 35.24 C ATOM 1666 CD ARG A 114 -14.363 6.629 8.651 1.00 50.01 C ATOM 1667 NE ARG A 114 -14.541 8.029 9.072 1.00 52.44 N ATOM 1668 CZ ARG A 114 -14.449 9.088 8.268 1.00 5.43 C ATOM 1669 NH1 ARG A 114 -14.182 8.929 6.979 1.00 63.32 N ATOM 1670 NH2 ARG A 114 -14.621 10.303 8.758 1.00 62.14 N ATOM 0 H ARG A 114 -10.979 4.138 10.833 1.00 10.25 H new ATOM 0 HA ARG A 114 -11.621 6.354 9.045 1.00 20.23 H new ATOM 0 HB2 ARG A 114 -13.046 5.567 11.627 1.00 23.41 H new ATOM 0 HB3 ARG A 114 -13.137 7.182 10.953 1.00 23.41 H new ATOM 0 HG2 ARG A 114 -14.059 4.683 9.496 1.00 35.24 H new ATOM 0 HG3 ARG A 114 -15.110 5.718 10.442 1.00 35.24 H new ATOM 0 HD2 ARG A 114 -13.487 6.550 8.007 1.00 50.01 H new ATOM 0 HD3 ARG A 114 -15.223 6.314 8.060 1.00 50.01 H new ATOM 0 HE ARG A 114 -14.751 8.202 10.055 1.00 52.44 H new ATOM 0 HH11 ARG A 114 -14.046 7.993 6.598 1.00 63.32 H new ATOM 0 HH12 ARG A 114 -14.113 9.743 6.368 1.00 63.32 H new ATOM 0 HH21 ARG A 114 -14.824 10.429 9.750 1.00 62.14 H new ATOM 0 HH22 ARG A 114 -14.551 11.115 8.145 1.00 62.14 H new ATOM 1684 N GLU A 115 -9.763 5.938 11.633 1.00 63.42 N ATOM 1685 CA GLU A 115 -8.920 6.548 12.677 1.00 71.45 C ATOM 1686 C GLU A 115 -7.445 6.575 12.336 1.00 50.35 C ATOM 1687 O GLU A 115 -6.876 5.558 11.899 1.00 11.23 O ATOM 1688 CB GLU A 115 -9.120 5.846 14.026 1.00 2.23 C ATOM 1689 CG GLU A 115 -9.995 6.600 15.021 1.00 41.21 C ATOM 1690 CD GLU A 115 -11.304 7.070 14.445 1.00 34.20 C ATOM 1691 OE1 GLU A 115 -12.165 6.231 14.110 1.00 52.43 O ATOM 1692 OE2 GLU A 115 -11.495 8.302 14.320 1.00 13.13 O ATOM 0 H GLU A 115 -9.643 4.931 11.522 1.00 63.42 H new ATOM 0 HA GLU A 115 -9.250 7.585 12.743 1.00 71.45 H new ATOM 0 HB2 GLU A 115 -9.562 4.866 13.847 1.00 2.23 H new ATOM 0 HB3 GLU A 115 -8.143 5.677 14.479 1.00 2.23 H new ATOM 0 HG2 GLU A 115 -10.196 5.954 15.876 1.00 41.21 H new ATOM 0 HG3 GLU A 115 -9.443 7.462 15.395 1.00 41.21 H new ATOM 1699 N PRO A 116 -6.794 7.756 12.500 1.00 42.22 N ATOM 1700 CA PRO A 116 -5.351 7.898 12.305 1.00 22.01 C ATOM 1701 C PRO A 116 -4.601 7.087 13.343 1.00 42.22 C ATOM 1702 O PRO A 116 -4.970 7.081 14.526 1.00 71.11 O ATOM 1703 CB PRO A 116 -5.088 9.401 12.514 1.00 32.14 C ATOM 1704 CG PRO A 116 -6.421 10.051 12.383 1.00 71.41 C ATOM 1705 CD PRO A 116 -7.419 9.045 12.872 1.00 12.52 C ATOM 0 HA PRO A 116 -5.022 7.546 11.327 1.00 22.01 H new ATOM 0 HB2 PRO A 116 -4.651 9.592 13.494 1.00 32.14 H new ATOM 0 HB3 PRO A 116 -4.388 9.785 11.772 1.00 32.14 H new ATOM 0 HG2 PRO A 116 -6.469 10.967 12.972 1.00 71.41 H new ATOM 0 HG3 PRO A 116 -6.621 10.328 11.348 1.00 71.41 H new ATOM 0 HD2 PRO A 116 -7.577 9.122 13.948 1.00 12.52 H new ATOM 0 HD3 PRO A 116 -8.391 9.175 12.396 1.00 12.52 H new ATOM 1713 N ARG A 117 -3.588 6.389 12.913 1.00 31.31 N ATOM 1714 CA ARG A 117 -2.810 5.539 13.795 1.00 3.45 C ATOM 1715 C ARG A 117 -1.347 5.808 13.594 1.00 52.52 C ATOM 1716 O ARG A 117 -0.964 6.428 12.602 1.00 32.24 O ATOM 1717 CB ARG A 117 -3.091 4.057 13.511 1.00 41.44 C ATOM 1718 CG ARG A 117 -4.514 3.605 13.785 1.00 53.34 C ATOM 1719 CD ARG A 117 -4.873 3.762 15.244 1.00 32.24 C ATOM 1720 NE ARG A 117 -6.210 3.248 15.534 1.00 13.50 N ATOM 1721 CZ ARG A 117 -6.632 2.877 16.741 1.00 23.52 C ATOM 1722 NH1 ARG A 117 -5.793 2.887 17.772 1.00 24.10 N ATOM 1723 NH2 ARG A 117 -7.886 2.467 16.914 1.00 12.35 N ATOM 0 H ARG A 117 -3.272 6.387 11.943 1.00 31.31 H new ATOM 0 HA ARG A 117 -3.094 5.762 14.824 1.00 3.45 H new ATOM 0 HB2 ARG A 117 -2.857 3.853 12.466 1.00 41.44 H new ATOM 0 HB3 ARG A 117 -2.413 3.453 14.114 1.00 41.44 H new ATOM 0 HG2 ARG A 117 -5.205 4.186 13.174 1.00 53.34 H new ATOM 0 HG3 ARG A 117 -4.629 2.562 13.491 1.00 53.34 H new ATOM 0 HD2 ARG A 117 -4.141 3.236 15.857 1.00 32.24 H new ATOM 0 HD3 ARG A 117 -4.821 4.815 15.519 1.00 32.24 H new ATOM 0 HE ARG A 117 -6.866 3.168 14.757 1.00 13.50 H new ATOM 0 HH11 ARG A 117 -4.825 3.179 17.639 1.00 24.10 H new ATOM 0 HH12 ARG A 117 -6.117 2.603 18.696 1.00 24.10 H new ATOM 0 HH21 ARG A 117 -8.527 2.436 16.121 1.00 12.35 H new ATOM 0 HH22 ARG A 117 -8.207 2.183 17.840 1.00 12.35 H new ATOM 1737 N ASN A 118 -0.547 5.364 14.528 1.00 20.31 N ATOM 1738 CA ASN A 118 0.895 5.491 14.431 1.00 72.44 C ATOM 1739 C ASN A 118 1.458 4.229 13.816 1.00 53.31 C ATOM 1740 O ASN A 118 2.135 4.264 12.797 1.00 34.22 O ATOM 1741 CB ASN A 118 1.522 5.710 15.814 1.00 31.01 C ATOM 1742 CG ASN A 118 3.037 5.860 15.760 1.00 21.34 C ATOM 1743 OD1 ASN A 118 3.553 6.965 15.593 1.00 61.24 O ATOM 1744 ND2 ASN A 118 3.759 4.780 15.942 1.00 5.04 N ATOM 0 H ASN A 118 -0.870 4.904 15.379 1.00 20.31 H new ATOM 0 HA ASN A 118 1.131 6.354 13.809 1.00 72.44 H new ATOM 0 HB2 ASN A 118 1.089 6.602 16.267 1.00 31.01 H new ATOM 0 HB3 ASN A 118 1.268 4.870 16.460 1.00 31.01 H new ATOM 0 HD21 ASN A 118 4.777 4.842 15.948 1.00 5.04 H new ATOM 0 HD22 ASN A 118 3.302 3.878 16.078 1.00 5.04 H new ATOM 1751 N ALA A 119 1.159 3.108 14.427 1.00 21.24 N ATOM 1752 CA ALA A 119 1.626 1.845 13.935 1.00 71.00 C ATOM 1753 C ALA A 119 0.469 0.895 13.870 1.00 42.12 C ATOM 1754 O ALA A 119 -0.391 0.884 14.760 1.00 50.31 O ATOM 1755 CB ALA A 119 2.727 1.289 14.826 1.00 22.44 C ATOM 0 H ALA A 119 0.590 3.050 15.272 1.00 21.24 H new ATOM 0 HA ALA A 119 2.047 1.978 12.939 1.00 71.00 H new ATOM 0 HB1 ALA A 119 3.065 0.330 14.432 1.00 22.44 H new ATOM 0 HB2 ALA A 119 3.564 1.987 14.849 1.00 22.44 H new ATOM 0 HB3 ALA A 119 2.342 1.151 15.836 1.00 22.44 H new ATOM 1761 N GLN A 120 0.422 0.123 12.839 1.00 42.04 N ATOM 1762 CA GLN A 120 -0.643 -0.806 12.636 1.00 53.55 C ATOM 1763 C GLN A 120 -0.176 -2.110 12.125 1.00 63.31 C ATOM 1764 O GLN A 120 0.839 -2.205 11.434 1.00 71.32 O ATOM 1765 CB GLN A 120 -1.717 -0.258 11.705 1.00 31.14 C ATOM 1766 CG GLN A 120 -2.852 0.421 12.415 1.00 60.20 C ATOM 1767 CD GLN A 120 -3.553 -0.516 13.368 1.00 22.22 C ATOM 1768 OE1 GLN A 120 -3.206 -0.608 14.535 1.00 51.52 O ATOM 1769 NE2 GLN A 120 -4.525 -1.226 12.880 1.00 33.51 N ATOM 0 H GLN A 120 1.128 0.117 12.103 1.00 42.04 H new ATOM 0 HA GLN A 120 -1.076 -0.960 13.624 1.00 53.55 H new ATOM 0 HB2 GLN A 120 -1.258 0.450 11.015 1.00 31.14 H new ATOM 0 HB3 GLN A 120 -2.115 -1.076 11.105 1.00 31.14 H new ATOM 0 HG2 GLN A 120 -2.474 1.283 12.964 1.00 60.20 H new ATOM 0 HG3 GLN A 120 -3.566 0.797 11.683 1.00 60.20 H new ATOM 0 HE21 GLN A 120 -4.789 -1.124 11.900 1.00 33.51 H new ATOM 0 HE22 GLN A 120 -5.024 -1.886 13.477 1.00 33.51 H new ATOM 1778 N VAL A 121 -0.903 -3.110 12.485 1.00 61.21 N ATOM 1779 CA VAL A 121 -0.695 -4.412 11.956 1.00 72.41 C ATOM 1780 C VAL A 121 -1.624 -4.479 10.767 1.00 52.32 C ATOM 1781 O VAL A 121 -2.846 -4.543 10.937 1.00 72.24 O ATOM 1782 CB VAL A 121 -1.030 -5.532 12.982 1.00 2.44 C ATOM 1783 CG1 VAL A 121 -0.676 -6.902 12.417 1.00 54.52 C ATOM 1784 CG2 VAL A 121 -0.294 -5.294 14.298 1.00 21.32 C ATOM 0 H VAL A 121 -1.665 -3.046 13.160 1.00 61.21 H new ATOM 0 HA VAL A 121 0.350 -4.575 11.694 1.00 72.41 H new ATOM 0 HB VAL A 121 -2.102 -5.505 13.176 1.00 2.44 H new ATOM 0 HG11 VAL A 121 -0.918 -7.671 13.150 1.00 54.52 H new ATOM 0 HG12 VAL A 121 -1.246 -7.078 11.505 1.00 54.52 H new ATOM 0 HG13 VAL A 121 0.390 -6.938 12.191 1.00 54.52 H new ATOM 0 HG21 VAL A 121 -0.542 -6.088 15.002 1.00 21.32 H new ATOM 0 HG22 VAL A 121 0.781 -5.291 14.118 1.00 21.32 H new ATOM 0 HG23 VAL A 121 -0.595 -4.333 14.715 1.00 21.32 H new ATOM 1794 N MET A 122 -1.039 -4.385 9.593 1.00 32.22 N ATOM 1795 CA MET A 122 -1.738 -4.248 8.313 1.00 22.41 C ATOM 1796 C MET A 122 -2.822 -5.317 8.184 1.00 71.55 C ATOM 1797 O MET A 122 -2.539 -6.516 8.231 1.00 21.50 O ATOM 1798 CB MET A 122 -0.716 -4.364 7.182 1.00 53.13 C ATOM 1799 CG MET A 122 -1.156 -3.809 5.847 1.00 44.50 C ATOM 1800 SD MET A 122 -1.388 -2.027 5.898 1.00 72.12 S ATOM 1801 CE MET A 122 -1.700 -1.671 4.177 1.00 23.22 C ATOM 0 H MET A 122 -0.024 -4.402 9.489 1.00 32.22 H new ATOM 0 HA MET A 122 -2.226 -3.275 8.258 1.00 22.41 H new ATOM 0 HB2 MET A 122 0.196 -3.851 7.486 1.00 53.13 H new ATOM 0 HB3 MET A 122 -0.462 -5.416 7.052 1.00 53.13 H new ATOM 0 HG2 MET A 122 -0.412 -4.056 5.090 1.00 44.50 H new ATOM 0 HG3 MET A 122 -2.088 -4.287 5.546 1.00 44.50 H new ATOM 0 HE1 MET A 122 -1.395 -0.648 3.956 1.00 23.22 H new ATOM 0 HE2 MET A 122 -1.132 -2.361 3.554 1.00 23.22 H new ATOM 0 HE3 MET A 122 -2.764 -1.786 3.969 1.00 23.22 H new ATOM 1811 N GLN A 123 -4.046 -4.881 8.031 1.00 12.12 N ATOM 1812 CA GLN A 123 -5.181 -5.771 8.065 1.00 53.51 C ATOM 1813 C GLN A 123 -5.738 -6.016 6.679 1.00 33.14 C ATOM 1814 O GLN A 123 -5.967 -5.083 5.908 1.00 74.31 O ATOM 1815 CB GLN A 123 -6.252 -5.198 8.999 1.00 53.53 C ATOM 1816 CG GLN A 123 -7.513 -6.040 9.135 1.00 55.34 C ATOM 1817 CD GLN A 123 -8.478 -5.457 10.139 1.00 42.03 C ATOM 1818 OE1 GLN A 123 -8.529 -4.243 10.344 1.00 11.12 O ATOM 1819 NE2 GLN A 123 -9.259 -6.290 10.760 1.00 2.20 N ATOM 0 H GLN A 123 -4.285 -3.901 7.880 1.00 12.12 H new ATOM 0 HA GLN A 123 -4.854 -6.737 8.449 1.00 53.51 H new ATOM 0 HB2 GLN A 123 -5.815 -5.065 9.989 1.00 53.53 H new ATOM 0 HB3 GLN A 123 -6.533 -4.208 8.639 1.00 53.53 H new ATOM 0 HG2 GLN A 123 -8.003 -6.118 8.164 1.00 55.34 H new ATOM 0 HG3 GLN A 123 -7.242 -7.052 9.438 1.00 55.34 H new ATOM 0 HE21 GLN A 123 -9.193 -7.290 10.569 1.00 2.20 H new ATOM 0 HE22 GLN A 123 -9.938 -5.944 11.438 1.00 2.20 H new ATOM 1828 N THR A 124 -5.959 -7.267 6.387 1.00 21.21 N ATOM 1829 CA THR A 124 -6.465 -7.709 5.131 1.00 3.03 C ATOM 1830 C THR A 124 -7.982 -7.504 5.054 1.00 75.21 C ATOM 1831 O THR A 124 -8.750 -8.084 5.845 1.00 42.01 O ATOM 1832 CB THR A 124 -6.122 -9.194 4.989 1.00 22.44 C ATOM 1833 OG1 THR A 124 -6.219 -9.795 6.294 1.00 32.32 O ATOM 1834 CG2 THR A 124 -4.716 -9.391 4.450 1.00 72.21 C ATOM 0 H THR A 124 -5.784 -8.028 7.044 1.00 21.21 H new ATOM 0 HA THR A 124 -6.016 -7.133 4.322 1.00 3.03 H new ATOM 0 HB THR A 124 -6.815 -9.656 4.286 1.00 22.44 H new ATOM 0 HG1 THR A 124 -7.056 -9.517 6.721 1.00 32.32 H new ATOM 0 HG21 THR A 124 -4.506 -10.457 4.362 1.00 72.21 H new ATOM 0 HG22 THR A 124 -4.633 -8.923 3.469 1.00 72.21 H new ATOM 0 HG23 THR A 124 -3.998 -8.935 5.131 1.00 72.21 H new ATOM 1842 N GLY A 125 -8.402 -6.657 4.154 1.00 24.45 N ATOM 1843 CA GLY A 125 -9.798 -6.421 3.959 1.00 53.13 C ATOM 1844 C GLY A 125 -10.187 -4.984 4.197 1.00 65.24 C ATOM 1845 O GLY A 125 -11.327 -4.598 3.925 1.00 32.04 O ATOM 0 H GLY A 125 -7.789 -6.118 3.543 1.00 24.45 H new ATOM 0 HA2 GLY A 125 -10.071 -6.703 2.942 1.00 53.13 H new ATOM 0 HA3 GLY A 125 -10.368 -7.063 4.631 1.00 53.13 H new ATOM 1849 N ASP A 126 -9.265 -4.177 4.679 1.00 55.04 N ATOM 1850 CA ASP A 126 -9.596 -2.790 4.976 1.00 25.24 C ATOM 1851 C ASP A 126 -8.993 -1.842 3.960 1.00 14.42 C ATOM 1852 O ASP A 126 -8.013 -2.177 3.266 1.00 35.04 O ATOM 1853 CB ASP A 126 -9.183 -2.379 6.409 1.00 32.54 C ATOM 1854 CG ASP A 126 -9.679 -0.977 6.758 1.00 32.01 C ATOM 1855 OD1 ASP A 126 -10.912 -0.740 6.637 1.00 23.30 O ATOM 1856 OD2 ASP A 126 -8.888 -0.111 7.150 1.00 25.12 O ATOM 0 H ASP A 126 -8.300 -4.444 4.872 1.00 55.04 H new ATOM 0 HA ASP A 126 -10.682 -2.716 4.913 1.00 25.24 H new ATOM 0 HB2 ASP A 126 -9.586 -3.096 7.124 1.00 32.54 H new ATOM 0 HB3 ASP A 126 -8.097 -2.414 6.499 1.00 32.54 H new ATOM 1861 N GLU A 127 -9.581 -0.678 3.871 1.00 64.44 N ATOM 1862 CA GLU A 127 -9.119 0.363 3.002 1.00 71.03 C ATOM 1863 C GLU A 127 -8.638 1.536 3.843 1.00 73.31 C ATOM 1864 O GLU A 127 -9.388 2.132 4.641 1.00 42.52 O ATOM 1865 CB GLU A 127 -10.171 0.756 1.955 1.00 73.35 C ATOM 1866 CG GLU A 127 -11.540 0.973 2.526 1.00 4.10 C ATOM 1867 CD GLU A 127 -12.574 1.401 1.512 1.00 20.44 C ATOM 1868 OE1 GLU A 127 -12.571 0.899 0.352 1.00 14.34 O ATOM 1869 OE2 GLU A 127 -13.439 2.221 1.876 1.00 4.42 O ATOM 0 H GLU A 127 -10.409 -0.426 4.411 1.00 64.44 H new ATOM 0 HA GLU A 127 -8.274 -0.004 2.419 1.00 71.03 H new ATOM 0 HB2 GLU A 127 -9.848 1.668 1.453 1.00 73.35 H new ATOM 0 HB3 GLU A 127 -10.224 -0.024 1.196 1.00 73.35 H new ATOM 0 HG2 GLU A 127 -11.874 0.050 3.001 1.00 4.10 H new ATOM 0 HG3 GLU A 127 -11.479 1.730 3.308 1.00 4.10 H new ATOM 1876 N ILE A 128 -7.412 1.852 3.643 1.00 2.12 N ATOM 1877 CA ILE A 128 -6.670 2.788 4.443 1.00 55.21 C ATOM 1878 C ILE A 128 -6.360 4.032 3.631 1.00 45.30 C ATOM 1879 O ILE A 128 -5.888 3.937 2.488 1.00 13.30 O ATOM 1880 CB ILE A 128 -5.338 2.121 4.893 1.00 74.23 C ATOM 1881 CG1 ILE A 128 -5.641 0.826 5.672 1.00 51.51 C ATOM 1882 CG2 ILE A 128 -4.481 3.078 5.724 1.00 13.12 C ATOM 1883 CD1 ILE A 128 -4.418 0.027 6.066 1.00 72.43 C ATOM 0 H ILE A 128 -6.861 1.452 2.883 1.00 2.12 H new ATOM 0 HA ILE A 128 -7.261 3.070 5.314 1.00 55.21 H new ATOM 0 HB ILE A 128 -4.761 1.870 4.003 1.00 74.23 H new ATOM 0 HG12 ILE A 128 -6.198 1.082 6.574 1.00 51.51 H new ATOM 0 HG13 ILE A 128 -6.290 0.196 5.065 1.00 51.51 H new ATOM 0 HG21 ILE A 128 -3.559 2.577 6.020 1.00 13.12 H new ATOM 0 HG22 ILE A 128 -4.240 3.960 5.130 1.00 13.12 H new ATOM 0 HG23 ILE A 128 -5.032 3.380 6.615 1.00 13.12 H new ATOM 0 HD11 ILE A 128 -4.726 -0.866 6.609 1.00 72.43 H new ATOM 0 HD12 ILE A 128 -3.870 -0.265 5.170 1.00 72.43 H new ATOM 0 HD13 ILE A 128 -3.776 0.635 6.703 1.00 72.43 H new ATOM 1895 N GLN A 129 -6.638 5.177 4.179 1.00 65.04 N ATOM 1896 CA GLN A 129 -6.334 6.391 3.490 1.00 73.24 C ATOM 1897 C GLN A 129 -5.017 6.979 3.958 1.00 42.53 C ATOM 1898 O GLN A 129 -4.799 7.201 5.156 1.00 21.43 O ATOM 1899 CB GLN A 129 -7.476 7.410 3.555 1.00 53.35 C ATOM 1900 CG GLN A 129 -7.107 8.756 2.934 1.00 72.01 C ATOM 1901 CD GLN A 129 -8.277 9.666 2.694 1.00 64.50 C ATOM 1902 OE1 GLN A 129 -9.389 9.219 2.405 1.00 74.50 O ATOM 1903 NE2 GLN A 129 -8.053 10.940 2.831 1.00 73.53 N ATOM 0 H GLN A 129 -7.072 5.294 5.095 1.00 65.04 H new ATOM 0 HA GLN A 129 -6.221 6.134 2.437 1.00 73.24 H new ATOM 0 HB2 GLN A 129 -8.347 7.005 3.041 1.00 53.35 H new ATOM 0 HB3 GLN A 129 -7.762 7.562 4.596 1.00 53.35 H new ATOM 0 HG2 GLN A 129 -6.396 9.262 3.587 1.00 72.01 H new ATOM 0 HG3 GLN A 129 -6.599 8.579 1.986 1.00 72.01 H new ATOM 0 HE21 GLN A 129 -7.118 11.271 3.071 1.00 73.53 H new ATOM 0 HE22 GLN A 129 -8.812 11.608 2.699 1.00 73.53 H new ATOM 1912 N ILE A 130 -4.152 7.198 3.004 1.00 64.53 N ATOM 1913 CA ILE A 130 -2.857 7.779 3.207 1.00 12.20 C ATOM 1914 C ILE A 130 -2.887 9.218 2.698 1.00 34.13 C ATOM 1915 O ILE A 130 -2.898 9.476 1.479 1.00 45.21 O ATOM 1916 CB ILE A 130 -1.724 6.943 2.509 1.00 42.21 C ATOM 1917 CG1 ILE A 130 -2.086 6.597 1.042 1.00 61.55 C ATOM 1918 CG2 ILE A 130 -1.417 5.680 3.306 1.00 24.11 C ATOM 1919 CD1 ILE A 130 -1.028 5.798 0.304 1.00 2.33 C ATOM 0 H ILE A 130 -4.340 6.967 2.028 1.00 64.53 H new ATOM 0 HA ILE A 130 -2.623 7.773 4.272 1.00 12.20 H new ATOM 0 HB ILE A 130 -0.827 7.562 2.485 1.00 42.21 H new ATOM 0 HG12 ILE A 130 -3.019 6.034 1.035 1.00 61.55 H new ATOM 0 HG13 ILE A 130 -2.269 7.524 0.498 1.00 61.55 H new ATOM 0 HG21 ILE A 130 -0.630 5.116 2.805 1.00 24.11 H new ATOM 0 HG22 ILE A 130 -1.086 5.953 4.308 1.00 24.11 H new ATOM 0 HG23 ILE A 130 -2.315 5.066 3.375 1.00 24.11 H new ATOM 0 HD11 ILE A 130 -1.365 5.601 -0.714 1.00 2.33 H new ATOM 0 HD12 ILE A 130 -0.098 6.365 0.275 1.00 2.33 H new ATOM 0 HD13 ILE A 130 -0.860 4.853 0.820 1.00 2.33 H new ATOM 1931 N GLY A 131 -2.991 10.150 3.619 1.00 13.14 N ATOM 1932 CA GLY A 131 -3.103 11.537 3.261 1.00 61.14 C ATOM 1933 C GLY A 131 -4.471 11.820 2.683 1.00 61.51 C ATOM 1934 O GLY A 131 -5.458 11.901 3.411 1.00 74.44 O ATOM 0 H GLY A 131 -3.000 9.967 4.622 1.00 13.14 H new ATOM 0 HA2 GLY A 131 -2.935 12.161 4.139 1.00 61.14 H new ATOM 0 HA3 GLY A 131 -2.333 11.796 2.534 1.00 61.14 H new ATOM 1938 N LYS A 132 -4.542 11.919 1.376 1.00 34.33 N ATOM 1939 CA LYS A 132 -5.800 12.159 0.687 1.00 2.14 C ATOM 1940 C LYS A 132 -6.031 11.095 -0.377 1.00 53.32 C ATOM 1941 O LYS A 132 -6.961 11.183 -1.174 1.00 43.51 O ATOM 1942 CB LYS A 132 -5.831 13.562 0.059 1.00 30.11 C ATOM 1943 CG LYS A 132 -5.775 14.714 1.068 1.00 63.31 C ATOM 1944 CD LYS A 132 -6.993 14.754 2.000 1.00 10.44 C ATOM 1945 CE LYS A 132 -8.287 15.031 1.241 1.00 35.12 C ATOM 1946 NZ LYS A 132 -9.454 15.114 2.143 1.00 62.34 N ATOM 0 H LYS A 132 -3.735 11.837 0.757 1.00 34.33 H new ATOM 0 HA LYS A 132 -6.603 12.103 1.421 1.00 2.14 H new ATOM 0 HB2 LYS A 132 -4.990 13.657 -0.628 1.00 30.11 H new ATOM 0 HB3 LYS A 132 -6.740 13.660 -0.534 1.00 30.11 H new ATOM 0 HG2 LYS A 132 -4.869 14.621 1.667 1.00 63.31 H new ATOM 0 HG3 LYS A 132 -5.706 15.659 0.529 1.00 63.31 H new ATOM 0 HD2 LYS A 132 -7.078 13.803 2.526 1.00 10.44 H new ATOM 0 HD3 LYS A 132 -6.845 15.524 2.757 1.00 10.44 H new ATOM 0 HE2 LYS A 132 -8.190 15.965 0.688 1.00 35.12 H new ATOM 0 HE3 LYS A 132 -8.452 14.242 0.507 1.00 35.12 H new ATOM 0 HZ1 LYS A 132 -10.311 15.303 1.585 1.00 62.34 H new ATOM 0 HZ2 LYS A 132 -9.564 14.214 2.652 1.00 62.34 H new ATOM 0 HZ3 LYS A 132 -9.310 15.883 2.828 1.00 62.34 H new ATOM 1960 N PHE A 133 -5.208 10.078 -0.357 1.00 23.40 N ATOM 1961 CA PHE A 133 -5.292 9.000 -1.320 1.00 22.43 C ATOM 1962 C PHE A 133 -5.675 7.723 -0.596 1.00 5.24 C ATOM 1963 O PHE A 133 -5.423 7.610 0.592 1.00 72.14 O ATOM 1964 CB PHE A 133 -3.955 8.803 -2.001 1.00 70.34 C ATOM 1965 CG PHE A 133 -3.449 9.976 -2.811 1.00 1.14 C ATOM 1966 CD1 PHE A 133 -4.062 10.328 -4.004 1.00 40.10 C ATOM 1967 CD2 PHE A 133 -2.338 10.696 -2.398 1.00 73.44 C ATOM 1968 CE1 PHE A 133 -3.576 11.373 -4.769 1.00 73.44 C ATOM 1969 CE2 PHE A 133 -1.850 11.745 -3.158 1.00 4.12 C ATOM 1970 CZ PHE A 133 -2.470 12.082 -4.344 1.00 44.12 C ATOM 0 H PHE A 133 -4.459 9.970 0.326 1.00 23.40 H new ATOM 0 HA PHE A 133 -6.041 9.247 -2.072 1.00 22.43 H new ATOM 0 HB2 PHE A 133 -3.212 8.564 -1.240 1.00 70.34 H new ATOM 0 HB3 PHE A 133 -4.028 7.936 -2.658 1.00 70.34 H new ATOM 0 HD1 PHE A 133 -4.930 9.780 -4.340 1.00 40.10 H new ATOM 0 HD2 PHE A 133 -1.847 10.435 -1.472 1.00 73.44 H new ATOM 0 HE1 PHE A 133 -4.061 11.634 -5.698 1.00 73.44 H new ATOM 0 HE2 PHE A 133 -0.985 12.299 -2.823 1.00 4.12 H new ATOM 0 HZ PHE A 133 -2.091 12.899 -4.939 1.00 44.12 H new ATOM 1980 N ARG A 134 -6.227 6.741 -1.283 1.00 50.34 N ATOM 1981 CA ARG A 134 -6.668 5.559 -0.570 1.00 45.05 C ATOM 1982 C ARG A 134 -6.110 4.274 -1.161 1.00 34.13 C ATOM 1983 O ARG A 134 -6.094 4.068 -2.393 1.00 53.21 O ATOM 1984 CB ARG A 134 -8.199 5.502 -0.413 1.00 45.34 C ATOM 1985 CG ARG A 134 -8.655 4.443 0.591 1.00 65.32 C ATOM 1986 CD ARG A 134 -10.139 4.513 0.875 1.00 32.15 C ATOM 1987 NE ARG A 134 -10.971 4.086 -0.257 1.00 63.22 N ATOM 1988 CZ ARG A 134 -12.256 4.432 -0.417 1.00 73.43 C ATOM 1989 NH1 ARG A 134 -12.799 5.345 0.373 1.00 43.52 N ATOM 1990 NH2 ARG A 134 -12.982 3.877 -1.380 1.00 73.34 N ATOM 0 H ARG A 134 -6.377 6.734 -2.292 1.00 50.34 H new ATOM 0 HA ARG A 134 -6.252 5.645 0.434 1.00 45.05 H new ATOM 0 HB2 ARG A 134 -8.563 6.479 -0.094 1.00 45.34 H new ATOM 0 HB3 ARG A 134 -8.651 5.295 -1.383 1.00 45.34 H new ATOM 0 HG2 ARG A 134 -8.408 3.453 0.207 1.00 65.32 H new ATOM 0 HG3 ARG A 134 -8.104 4.570 1.523 1.00 65.32 H new ATOM 0 HD2 ARG A 134 -10.366 3.888 1.739 1.00 32.15 H new ATOM 0 HD3 ARG A 134 -10.402 5.536 1.144 1.00 32.15 H new ATOM 0 HE ARG A 134 -10.545 3.489 -0.966 1.00 63.22 H new ATOM 0 HH11 ARG A 134 -12.239 5.785 1.103 1.00 43.52 H new ATOM 0 HH12 ARG A 134 -13.777 5.608 0.251 1.00 43.52 H new ATOM 0 HH21 ARG A 134 -12.562 3.185 -2.001 1.00 73.34 H new ATOM 0 HH22 ARG A 134 -13.960 4.142 -1.499 1.00 73.34 H new ATOM 2004 N LEU A 135 -5.665 3.430 -0.277 1.00 42.25 N ATOM 2005 CA LEU A 135 -5.062 2.170 -0.588 1.00 23.23 C ATOM 2006 C LEU A 135 -5.878 1.088 0.109 1.00 25.51 C ATOM 2007 O LEU A 135 -6.204 1.222 1.275 1.00 22.34 O ATOM 2008 CB LEU A 135 -3.595 2.230 -0.074 1.00 54.14 C ATOM 2009 CG LEU A 135 -2.664 1.007 -0.227 1.00 62.34 C ATOM 2010 CD1 LEU A 135 -1.233 1.455 0.003 1.00 11.10 C ATOM 2011 CD2 LEU A 135 -2.993 -0.083 0.793 1.00 71.30 C ATOM 0 H LEU A 135 -5.716 3.611 0.726 1.00 42.25 H new ATOM 0 HA LEU A 135 -5.047 1.948 -1.655 1.00 23.23 H new ATOM 0 HB2 LEU A 135 -3.111 3.068 -0.576 1.00 54.14 H new ATOM 0 HB3 LEU A 135 -3.635 2.474 0.988 1.00 54.14 H new ATOM 0 HG LEU A 135 -2.801 0.599 -1.228 1.00 62.34 H new ATOM 0 HD11 LEU A 135 -0.563 0.601 -0.102 1.00 11.10 H new ATOM 0 HD12 LEU A 135 -0.968 2.217 -0.730 1.00 11.10 H new ATOM 0 HD13 LEU A 135 -1.138 1.869 1.007 1.00 11.10 H new ATOM 0 HD21 LEU A 135 -2.317 -0.927 0.654 1.00 71.30 H new ATOM 0 HD22 LEU A 135 -2.875 0.314 1.801 1.00 71.30 H new ATOM 0 HD23 LEU A 135 -4.022 -0.415 0.652 1.00 71.30 H new ATOM 2023 N VAL A 136 -6.226 0.056 -0.592 1.00 42.25 N ATOM 2024 CA VAL A 136 -6.966 -1.026 0.002 1.00 51.12 C ATOM 2025 C VAL A 136 -6.066 -2.249 0.072 1.00 43.50 C ATOM 2026 O VAL A 136 -5.329 -2.539 -0.870 1.00 0.21 O ATOM 2027 CB VAL A 136 -8.313 -1.314 -0.747 1.00 55.14 C ATOM 2028 CG1 VAL A 136 -8.098 -1.708 -2.197 1.00 43.40 C ATOM 2029 CG2 VAL A 136 -9.157 -2.353 -0.016 1.00 30.23 C ATOM 0 H VAL A 136 -6.011 -0.066 -1.582 1.00 42.25 H new ATOM 0 HA VAL A 136 -7.262 -0.743 1.012 1.00 51.12 H new ATOM 0 HB VAL A 136 -8.868 -0.376 -0.749 1.00 55.14 H new ATOM 0 HG11 VAL A 136 -9.062 -1.896 -2.670 1.00 43.40 H new ATOM 0 HG12 VAL A 136 -7.588 -0.900 -2.722 1.00 43.40 H new ATOM 0 HG13 VAL A 136 -7.489 -2.611 -2.242 1.00 43.40 H new ATOM 0 HG21 VAL A 136 -10.082 -2.524 -0.567 1.00 30.23 H new ATOM 0 HG22 VAL A 136 -8.600 -3.287 0.058 1.00 30.23 H new ATOM 0 HG23 VAL A 136 -9.393 -1.991 0.985 1.00 30.23 H new ATOM 2039 N PHE A 137 -6.073 -2.915 1.180 1.00 24.12 N ATOM 2040 CA PHE A 137 -5.197 -4.031 1.378 1.00 43.22 C ATOM 2041 C PHE A 137 -6.004 -5.292 1.490 1.00 63.43 C ATOM 2042 O PHE A 137 -6.863 -5.402 2.357 1.00 71.10 O ATOM 2043 CB PHE A 137 -4.370 -3.793 2.635 1.00 3.45 C ATOM 2044 CG PHE A 137 -3.323 -4.831 2.913 1.00 22.42 C ATOM 2045 CD1 PHE A 137 -2.191 -4.908 2.133 1.00 32.22 C ATOM 2046 CD2 PHE A 137 -3.468 -5.721 3.959 1.00 2.02 C ATOM 2047 CE1 PHE A 137 -1.223 -5.847 2.390 1.00 43.15 C ATOM 2048 CE2 PHE A 137 -2.499 -6.663 4.225 1.00 54.35 C ATOM 2049 CZ PHE A 137 -1.375 -6.727 3.438 1.00 62.55 C ATOM 0 H PHE A 137 -6.681 -2.705 1.972 1.00 24.12 H new ATOM 0 HA PHE A 137 -4.521 -4.137 0.529 1.00 43.22 H new ATOM 0 HB2 PHE A 137 -3.883 -2.821 2.553 1.00 3.45 H new ATOM 0 HB3 PHE A 137 -5.044 -3.741 3.490 1.00 3.45 H new ATOM 0 HD1 PHE A 137 -2.063 -4.222 1.309 1.00 32.22 H new ATOM 0 HD2 PHE A 137 -4.353 -5.678 4.577 1.00 2.02 H new ATOM 0 HE1 PHE A 137 -0.341 -5.896 1.769 1.00 43.15 H new ATOM 0 HE2 PHE A 137 -2.623 -7.349 5.050 1.00 54.35 H new ATOM 0 HZ PHE A 137 -0.613 -7.465 3.641 1.00 62.55 H new ATOM 2059 N LEU A 138 -5.747 -6.230 0.623 1.00 5.50 N ATOM 2060 CA LEU A 138 -6.490 -7.470 0.607 1.00 41.45 C ATOM 2061 C LEU A 138 -5.534 -8.629 0.750 1.00 64.22 C ATOM 2062 O LEU A 138 -4.308 -8.465 0.607 1.00 3.41 O ATOM 2063 CB LEU A 138 -7.300 -7.669 -0.713 1.00 43.54 C ATOM 2064 CG LEU A 138 -8.368 -6.623 -1.111 1.00 73.35 C ATOM 2065 CD1 LEU A 138 -9.325 -6.307 0.029 1.00 74.14 C ATOM 2066 CD2 LEU A 138 -7.743 -5.366 -1.696 1.00 75.41 C ATOM 0 H LEU A 138 -5.022 -6.163 -0.091 1.00 5.50 H new ATOM 0 HA LEU A 138 -7.195 -7.428 1.437 1.00 41.45 H new ATOM 0 HB2 LEU A 138 -6.583 -7.732 -1.531 1.00 43.54 H new ATOM 0 HB3 LEU A 138 -7.797 -8.637 -0.649 1.00 43.54 H new ATOM 0 HG LEU A 138 -8.967 -7.077 -1.900 1.00 73.35 H new ATOM 0 HD11 LEU A 138 -10.054 -5.568 -0.302 1.00 74.14 H new ATOM 0 HD12 LEU A 138 -9.843 -7.217 0.332 1.00 74.14 H new ATOM 0 HD13 LEU A 138 -8.764 -5.909 0.875 1.00 74.14 H new ATOM 0 HD21 LEU A 138 -8.529 -4.659 -1.962 1.00 75.41 H new ATOM 0 HD22 LEU A 138 -7.080 -4.912 -0.959 1.00 75.41 H new ATOM 0 HD23 LEU A 138 -7.171 -5.625 -2.587 1.00 75.41 H new ATOM 2078 N ALA A 139 -6.079 -9.787 1.037 1.00 72.40 N ATOM 2079 CA ALA A 139 -5.311 -10.999 1.082 1.00 74.44 C ATOM 2080 C ALA A 139 -4.937 -11.353 -0.337 1.00 63.41 C ATOM 2081 O ALA A 139 -5.796 -11.371 -1.233 1.00 33.13 O ATOM 2082 CB ALA A 139 -6.112 -12.116 1.719 1.00 33.14 C ATOM 0 H ALA A 139 -7.070 -9.911 1.246 1.00 72.40 H new ATOM 0 HA ALA A 139 -4.415 -10.859 1.687 1.00 74.44 H new ATOM 0 HB1 ALA A 139 -5.512 -13.026 1.743 1.00 33.14 H new ATOM 0 HB2 ALA A 139 -6.385 -11.834 2.736 1.00 33.14 H new ATOM 0 HB3 ALA A 139 -7.016 -12.293 1.137 1.00 33.14 H new ATOM 2088 N GLY A 140 -3.702 -11.620 -0.550 1.00 64.34 N ATOM 2089 CA GLY A 140 -3.237 -11.827 -1.873 1.00 32.41 C ATOM 2090 C GLY A 140 -2.713 -13.200 -2.095 1.00 11.52 C ATOM 2091 O GLY A 140 -2.828 -14.069 -1.216 1.00 23.13 O ATOM 0 H GLY A 140 -2.991 -11.701 0.177 1.00 64.34 H new ATOM 0 HA2 GLY A 140 -4.051 -11.637 -2.572 1.00 32.41 H new ATOM 0 HA3 GLY A 140 -2.452 -11.104 -2.094 1.00 32.41 H new ATOM 2095 N PRO A 141 -2.150 -13.448 -3.264 1.00 5.42 N ATOM 2096 CA PRO A 141 -1.616 -14.728 -3.602 1.00 3.34 C ATOM 2097 C PRO A 141 -0.245 -14.955 -2.993 1.00 53.43 C ATOM 2098 O PRO A 141 0.665 -14.107 -3.093 1.00 24.11 O ATOM 2099 CB PRO A 141 -1.515 -14.707 -5.135 1.00 1.12 C ATOM 2100 CG PRO A 141 -2.083 -13.388 -5.563 1.00 41.21 C ATOM 2101 CD PRO A 141 -1.997 -12.496 -4.367 1.00 54.00 C ATOM 0 HA PRO A 141 -2.246 -15.532 -3.222 1.00 3.34 H new ATOM 0 HB2 PRO A 141 -0.480 -14.811 -5.460 1.00 1.12 H new ATOM 0 HB3 PRO A 141 -2.072 -15.534 -5.575 1.00 1.12 H new ATOM 0 HG2 PRO A 141 -1.521 -12.974 -6.400 1.00 41.21 H new ATOM 0 HG3 PRO A 141 -3.115 -13.497 -5.895 1.00 41.21 H new ATOM 0 HD2 PRO A 141 -1.045 -11.967 -4.320 1.00 54.00 H new ATOM 0 HD3 PRO A 141 -2.782 -11.740 -4.365 1.00 54.00 H new