USER MOD reduce.3.24.130724 H: found=0, std=0, add=739, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 729 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 82 GLN : amide:sc= 0.684 K(o=1.5,f=-0.18) USER MOD Set 1.2: A 84 TYR OH : rot -15:sc= 0.772 USER MOD Set 2.1: A 74 THR OG1 : rot -61:sc= 0.858 USER MOD Set 2.2: A 85 THR OG1 : rot 180:sc= 0.759 USER MOD Set 3.1: A 2 CYS SG : rot -68:sc= 0.363! USER MOD Set 3.2: A 5 CYS SG : rot 48:sc= -0.61! USER MOD Set 3.3: A 30 CYS SG : rot 36:sc= 0.252 USER MOD Set 3.4: A 33 CYS SG : rot -52:sc= 2.63 USER MOD Set 3.5: A 61 CYS SG : rot -155:sc= 0.629 USER MOD Set 3.6: A 63 ASN : amide:sc= 0.161 K(o=4.5,f=2.7) USER MOD Set 3.7: A 64 CYS SG : rot -109:sc= 0.82 USER MOD Set 3.8: A 66 HIS : no HE2:sc= 0.227 K(o=4.5,f=-0.46) USER MOD Set 4.1: A 22 SER OG : rot -51:sc= 0.531 USER MOD Set 4.2: A 57 TYR OH : rot -168:sc= 0.191 USER MOD Set 4.3: A 59 HIS : no HD1:sc= 0.524 K(o=3.4,f=0.42) USER MOD Set 4.4: A 71 HIS : no HD1:sc= 0.46 K(o=3.4,f=-0.43!) USER MOD Set 4.5: A 88 CYS SG : rot 41:sc= 1.77 USER MOD Set 4.6: A 91 CYS SG : rot 144:sc= -0.115 USER MOD Set 5.1: A 20 ASN : amide:sc= 0.966 K(o=2.1,f=-5.2) USER MOD Set 5.2: A 44 LYS NZ :NH3+ -165:sc= 1.15 (180deg=0) USER MOD Single : A 8 LYS NZ :NH3+ 166:sc= 1.09 (180deg=0.985) USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 ASN : amide:sc= 0.781 K(o=0.78,f=0) USER MOD Single : A 15 ASN : amide:sc= 0.993 K(o=0.99,f=-1.4) USER MOD Single : A 16 THR OG1 : rot 89:sc= 0.513 USER MOD Single : A 17 CYS SG : rot 63:sc= 0.199 USER MOD Single : A 26 ASN : amide:sc= 2.12 K(o=2.1,f=-8.5!) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot -49:sc= 0.00823 USER MOD Single : A 35 LYS NZ :NH3+ -144:sc= 0.116 (180deg=0) USER MOD Single : A 39 MET CE :methyl -157:sc= 0 (180deg=-0.79) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 ASN : amide:sc= 2.11 K(o=2.1,f=-0.097) USER MOD Single : A 45 SER OG : rot 58:sc= 0.11 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 73 TYR OH : rot 180:sc=-0.00381 USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 78 MET CE :methyl 172:sc= 0 (180deg=-0.0767) USER MOD Single : A 86 MET CE :methyl -162:sc= 0 (180deg=-0.253) USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 THR OG1 : rot 180:sc= 0 USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N CYS A 2 -1.111 14.897 -8.577 1.00 0.00 N ATOM 2 CA CYS A 2 -0.671 15.353 -9.884 1.00 0.00 C ATOM 3 C CYS A 2 0.739 14.837 -10.262 1.00 0.00 C ATOM 4 O CYS A 2 1.338 15.277 -11.249 1.00 0.00 O ATOM 5 CB CYS A 2 -0.877 16.896 -9.981 1.00 0.00 C ATOM 6 SG CYS A 2 -0.756 17.872 -8.416 1.00 0.00 S ATOM 0 HA CYS A 2 -1.293 14.906 -10.660 1.00 0.00 H new ATOM 0 HB2 CYS A 2 -0.141 17.290 -10.681 1.00 0.00 H new ATOM 0 HB3 CYS A 2 -1.860 17.078 -10.416 1.00 0.00 H new ATOM 0 HG CYS A 2 -1.756 17.574 -7.641 1.00 0.00 H new ATOM 11 N GLY A 3 1.279 13.905 -9.467 1.00 0.00 N ATOM 12 CA GLY A 3 2.621 13.314 -9.585 1.00 0.00 C ATOM 13 C GLY A 3 3.703 14.287 -9.107 1.00 0.00 C ATOM 14 O GLY A 3 4.652 13.876 -8.444 1.00 0.00 O ATOM 0 H GLY A 3 0.762 13.519 -8.677 1.00 0.00 H new ATOM 0 HA2 GLY A 3 2.669 12.397 -8.998 1.00 0.00 H new ATOM 0 HA3 GLY A 3 2.809 13.039 -10.623 1.00 0.00 H new ATOM 18 N ASP A 4 3.518 15.590 -9.336 1.00 0.00 N ATOM 19 CA ASP A 4 4.360 16.633 -8.749 1.00 0.00 C ATOM 20 C ASP A 4 4.165 16.665 -7.213 1.00 0.00 C ATOM 21 O ASP A 4 5.038 17.167 -6.499 1.00 0.00 O ATOM 22 CB ASP A 4 4.045 17.994 -9.383 1.00 0.00 C ATOM 23 CG ASP A 4 4.685 18.142 -10.775 1.00 0.00 C ATOM 24 OD1 ASP A 4 5.936 18.204 -10.861 1.00 0.00 O ATOM 25 OD2 ASP A 4 3.949 18.228 -11.787 1.00 0.00 O ATOM 0 H ASP A 4 2.777 15.951 -9.936 1.00 0.00 H new ATOM 0 HA ASP A 4 5.407 16.408 -8.954 1.00 0.00 H new ATOM 0 HB2 ASP A 4 2.965 18.114 -9.466 1.00 0.00 H new ATOM 0 HB3 ASP A 4 4.406 18.790 -8.731 1.00 0.00 H new ATOM 30 N CYS A 5 3.061 16.084 -6.711 1.00 0.00 N ATOM 31 CA CYS A 5 2.744 15.912 -5.295 1.00 0.00 C ATOM 32 C CYS A 5 3.780 15.033 -4.549 1.00 0.00 C ATOM 33 O CYS A 5 3.933 15.156 -3.332 1.00 0.00 O ATOM 34 CB CYS A 5 1.363 15.221 -5.137 1.00 0.00 C ATOM 35 SG CYS A 5 -0.098 16.222 -5.564 1.00 0.00 S ATOM 0 H CYS A 5 2.334 15.705 -7.318 1.00 0.00 H new ATOM 0 HA CYS A 5 2.749 16.913 -4.863 1.00 0.00 H new ATOM 0 HB2 CYS A 5 1.356 14.325 -5.758 1.00 0.00 H new ATOM 0 HB3 CYS A 5 1.262 14.893 -4.103 1.00 0.00 H new ATOM 0 HG CYS A 5 0.091 16.796 -6.715 1.00 0.00 H new ATOM 40 N VAL A 6 4.470 14.116 -5.248 1.00 0.00 N ATOM 41 CA VAL A 6 5.403 13.140 -4.648 1.00 0.00 C ATOM 42 C VAL A 6 6.865 13.434 -5.032 1.00 0.00 C ATOM 43 O VAL A 6 7.168 13.781 -6.176 1.00 0.00 O ATOM 44 CB VAL A 6 4.998 11.685 -4.993 1.00 0.00 C ATOM 45 CG1 VAL A 6 3.539 11.394 -4.612 1.00 0.00 C ATOM 46 CG2 VAL A 6 5.162 11.263 -6.457 1.00 0.00 C ATOM 0 H VAL A 6 4.396 14.029 -6.262 1.00 0.00 H new ATOM 0 HA VAL A 6 5.333 13.248 -3.566 1.00 0.00 H new ATOM 0 HB VAL A 6 5.708 11.106 -4.402 1.00 0.00 H new ATOM 0 HG11 VAL A 6 3.294 10.364 -4.870 1.00 0.00 H new ATOM 0 HG12 VAL A 6 3.407 11.541 -3.540 1.00 0.00 H new ATOM 0 HG13 VAL A 6 2.879 12.071 -5.155 1.00 0.00 H new ATOM 0 HG21 VAL A 6 4.847 10.226 -6.574 1.00 0.00 H new ATOM 0 HG22 VAL A 6 4.548 11.903 -7.091 1.00 0.00 H new ATOM 0 HG23 VAL A 6 6.208 11.360 -6.749 1.00 0.00 H new ATOM 56 N GLU A 7 7.798 13.290 -4.086 1.00 0.00 N ATOM 57 CA GLU A 7 9.244 13.478 -4.292 1.00 0.00 C ATOM 58 C GLU A 7 9.791 12.421 -5.274 1.00 0.00 C ATOM 59 O GLU A 7 10.595 12.737 -6.156 1.00 0.00 O ATOM 60 CB GLU A 7 9.973 13.421 -2.928 1.00 0.00 C ATOM 61 CG GLU A 7 11.493 13.539 -3.034 1.00 0.00 C ATOM 62 CD GLU A 7 12.180 13.322 -1.676 1.00 0.00 C ATOM 63 OE1 GLU A 7 12.305 14.288 -0.884 1.00 0.00 O ATOM 64 OE2 GLU A 7 12.636 12.180 -1.421 1.00 0.00 O ATOM 0 H GLU A 7 7.565 13.032 -3.127 1.00 0.00 H new ATOM 0 HA GLU A 7 9.424 14.457 -4.736 1.00 0.00 H new ATOM 0 HB2 GLU A 7 9.599 14.224 -2.293 1.00 0.00 H new ATOM 0 HB3 GLU A 7 9.725 12.482 -2.433 1.00 0.00 H new ATOM 0 HG2 GLU A 7 11.865 12.807 -3.750 1.00 0.00 H new ATOM 0 HG3 GLU A 7 11.755 14.524 -3.420 1.00 0.00 H new ATOM 71 N LYS A 8 9.320 11.173 -5.138 1.00 0.00 N ATOM 72 CA LYS A 8 9.648 10.010 -5.968 1.00 0.00 C ATOM 73 C LYS A 8 8.360 9.265 -6.325 1.00 0.00 C ATOM 74 O LYS A 8 7.472 9.123 -5.483 1.00 0.00 O ATOM 75 CB LYS A 8 10.582 9.064 -5.187 1.00 0.00 C ATOM 76 CG LYS A 8 11.883 9.715 -4.683 1.00 0.00 C ATOM 77 CD LYS A 8 12.825 8.657 -4.090 1.00 0.00 C ATOM 78 CE LYS A 8 14.115 9.268 -3.520 1.00 0.00 C ATOM 79 NZ LYS A 8 13.931 9.848 -2.162 1.00 0.00 N ATOM 0 H LYS A 8 8.659 10.937 -4.398 1.00 0.00 H new ATOM 0 HA LYS A 8 10.147 10.343 -6.878 1.00 0.00 H new ATOM 0 HB2 LYS A 8 10.038 8.663 -4.332 1.00 0.00 H new ATOM 0 HB3 LYS A 8 10.839 8.219 -5.827 1.00 0.00 H new ATOM 0 HG2 LYS A 8 12.379 10.231 -5.505 1.00 0.00 H new ATOM 0 HG3 LYS A 8 11.651 10.466 -3.928 1.00 0.00 H new ATOM 0 HD2 LYS A 8 12.305 8.114 -3.301 1.00 0.00 H new ATOM 0 HD3 LYS A 8 13.081 7.931 -4.861 1.00 0.00 H new ATOM 0 HE2 LYS A 8 14.888 8.500 -3.480 1.00 0.00 H new ATOM 0 HE3 LYS A 8 14.472 10.045 -4.196 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 14.861 10.028 -1.732 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 13.404 10.742 -2.235 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 13.399 9.180 -1.568 1.00 0.00 H new ATOM 93 N GLU A 9 8.267 8.753 -7.549 1.00 0.00 N ATOM 94 CA GLU A 9 7.140 7.923 -8.001 1.00 0.00 C ATOM 95 C GLU A 9 7.361 6.476 -7.529 1.00 0.00 C ATOM 96 O GLU A 9 8.391 5.879 -7.850 1.00 0.00 O ATOM 97 CB GLU A 9 7.048 7.952 -9.539 1.00 0.00 C ATOM 98 CG GLU A 9 6.362 9.210 -10.080 1.00 0.00 C ATOM 99 CD GLU A 9 6.909 9.590 -11.471 1.00 0.00 C ATOM 100 OE1 GLU A 9 6.370 9.105 -12.496 1.00 0.00 O ATOM 101 OE2 GLU A 9 7.884 10.375 -11.550 1.00 0.00 O ATOM 0 H GLU A 9 8.976 8.901 -8.267 1.00 0.00 H new ATOM 0 HA GLU A 9 6.212 8.313 -7.582 1.00 0.00 H new ATOM 0 HB2 GLU A 9 8.052 7.885 -9.958 1.00 0.00 H new ATOM 0 HB3 GLU A 9 6.501 7.073 -9.880 1.00 0.00 H new ATOM 0 HG2 GLU A 9 5.287 9.042 -10.143 1.00 0.00 H new ATOM 0 HG3 GLU A 9 6.516 10.038 -9.387 1.00 0.00 H new ATOM 108 N TYR A 10 6.404 5.910 -6.782 1.00 0.00 N ATOM 109 CA TYR A 10 6.460 4.538 -6.243 1.00 0.00 C ATOM 110 C TYR A 10 7.811 4.207 -5.566 1.00 0.00 C ATOM 111 O TYR A 10 8.517 3.283 -5.991 1.00 0.00 O ATOM 112 CB TYR A 10 6.047 3.503 -7.308 1.00 0.00 C ATOM 113 CG TYR A 10 4.690 3.715 -7.963 1.00 0.00 C ATOM 114 CD1 TYR A 10 4.508 4.750 -8.904 1.00 0.00 C ATOM 115 CD2 TYR A 10 3.605 2.874 -7.634 1.00 0.00 C ATOM 116 CE1 TYR A 10 3.248 4.971 -9.485 1.00 0.00 C ATOM 117 CE2 TYR A 10 2.334 3.106 -8.202 1.00 0.00 C ATOM 118 CZ TYR A 10 2.154 4.152 -9.134 1.00 0.00 C ATOM 119 OH TYR A 10 0.932 4.381 -9.690 1.00 0.00 O ATOM 0 H TYR A 10 5.548 6.402 -6.528 1.00 0.00 H new ATOM 0 HA TYR A 10 5.724 4.480 -5.441 1.00 0.00 H new ATOM 0 HB2 TYR A 10 6.807 3.495 -8.090 1.00 0.00 H new ATOM 0 HB3 TYR A 10 6.054 2.516 -6.846 1.00 0.00 H new ATOM 0 HD1 TYR A 10 5.343 5.377 -9.180 1.00 0.00 H new ATOM 0 HD2 TYR A 10 3.748 2.053 -6.947 1.00 0.00 H new ATOM 0 HE1 TYR A 10 3.117 5.769 -10.201 1.00 0.00 H new ATOM 0 HE2 TYR A 10 1.497 2.482 -7.923 1.00 0.00 H new ATOM 0 HH TYR A 10 0.288 3.729 -9.344 1.00 0.00 H new ATOM 129 N PRO A 11 8.196 4.953 -4.511 1.00 0.00 N ATOM 130 CA PRO A 11 9.456 4.743 -3.797 1.00 0.00 C ATOM 131 C PRO A 11 9.503 3.358 -3.140 1.00 0.00 C ATOM 132 O PRO A 11 8.480 2.865 -2.671 1.00 0.00 O ATOM 133 CB PRO A 11 9.491 5.851 -2.737 1.00 0.00 C ATOM 134 CG PRO A 11 8.022 6.160 -2.483 1.00 0.00 C ATOM 135 CD PRO A 11 7.438 6.033 -3.885 1.00 0.00 C ATOM 0 HA PRO A 11 10.314 4.782 -4.468 1.00 0.00 H new ATOM 0 HB2 PRO A 11 9.993 5.519 -1.828 1.00 0.00 H new ATOM 0 HB3 PRO A 11 10.028 6.729 -3.095 1.00 0.00 H new ATOM 0 HG2 PRO A 11 7.569 5.456 -1.785 1.00 0.00 H new ATOM 0 HG3 PRO A 11 7.878 7.157 -2.068 1.00 0.00 H new ATOM 0 HD2 PRO A 11 6.374 5.800 -3.850 1.00 0.00 H new ATOM 0 HD3 PRO A 11 7.543 6.964 -4.442 1.00 0.00 H new ATOM 143 N ASN A 12 10.669 2.718 -3.049 1.00 0.00 N ATOM 144 CA ASN A 12 10.760 1.444 -2.332 1.00 0.00 C ATOM 145 C ASN A 12 10.792 1.711 -0.815 1.00 0.00 C ATOM 146 O ASN A 12 11.340 2.722 -0.363 1.00 0.00 O ATOM 147 CB ASN A 12 11.985 0.652 -2.813 1.00 0.00 C ATOM 148 CG ASN A 12 11.927 0.283 -4.290 1.00 0.00 C ATOM 149 OD1 ASN A 12 12.822 0.594 -5.062 1.00 0.00 O ATOM 150 ND2 ASN A 12 10.883 -0.378 -4.740 1.00 0.00 N ATOM 0 H ASN A 12 11.545 3.050 -3.452 1.00 0.00 H new ATOM 0 HA ASN A 12 9.883 0.832 -2.543 1.00 0.00 H new ATOM 0 HB2 ASN A 12 12.884 1.240 -2.628 1.00 0.00 H new ATOM 0 HB3 ASN A 12 12.074 -0.259 -2.222 1.00 0.00 H new ATOM 0 HD21 ASN A 12 10.824 -0.628 -5.727 1.00 0.00 H new ATOM 0 HD22 ASN A 12 10.132 -0.641 -4.102 1.00 0.00 H new ATOM 157 N ARG A 13 10.184 0.813 -0.027 1.00 0.00 N ATOM 158 CA ARG A 13 10.012 0.962 1.436 1.00 0.00 C ATOM 159 C ARG A 13 10.681 -0.131 2.272 1.00 0.00 C ATOM 160 O ARG A 13 10.196 -0.479 3.349 1.00 0.00 O ATOM 161 CB ARG A 13 8.508 1.086 1.751 1.00 0.00 C ATOM 162 CG ARG A 13 7.788 2.231 1.028 1.00 0.00 C ATOM 163 CD ARG A 13 8.334 3.623 1.383 1.00 0.00 C ATOM 164 NE ARG A 13 8.209 3.919 2.827 1.00 0.00 N ATOM 165 CZ ARG A 13 7.098 4.179 3.496 1.00 0.00 C ATOM 166 NH1 ARG A 13 5.937 4.285 2.917 1.00 0.00 N ATOM 167 NH2 ARG A 13 7.133 4.323 4.790 1.00 0.00 N ATOM 0 H ARG A 13 9.789 -0.055 -0.389 1.00 0.00 H new ATOM 0 HA ARG A 13 10.535 1.872 1.730 1.00 0.00 H new ATOM 0 HB2 ARG A 13 8.019 0.147 1.491 1.00 0.00 H new ATOM 0 HB3 ARG A 13 8.387 1.222 2.826 1.00 0.00 H new ATOM 0 HG2 ARG A 13 7.873 2.080 -0.048 1.00 0.00 H new ATOM 0 HG3 ARG A 13 6.726 2.193 1.272 1.00 0.00 H new ATOM 0 HD2 ARG A 13 9.382 3.686 1.090 1.00 0.00 H new ATOM 0 HD3 ARG A 13 7.797 4.379 0.811 1.00 0.00 H new ATOM 0 HE ARG A 13 9.075 3.923 3.366 1.00 0.00 H new ATOM 0 HH11 ARG A 13 5.858 4.166 1.907 1.00 0.00 H new ATOM 0 HH12 ARG A 13 5.106 4.487 3.473 1.00 0.00 H new ATOM 0 HH21 ARG A 13 8.018 4.235 5.289 1.00 0.00 H new ATOM 0 HH22 ARG A 13 6.275 4.523 5.304 1.00 0.00 H new ATOM 181 N GLY A 14 11.767 -0.714 1.765 1.00 0.00 N ATOM 182 CA GLY A 14 12.499 -1.794 2.448 1.00 0.00 C ATOM 183 C GLY A 14 11.610 -3.001 2.781 1.00 0.00 C ATOM 184 O GLY A 14 11.748 -3.599 3.849 1.00 0.00 O ATOM 0 H GLY A 14 12.170 -0.453 0.865 1.00 0.00 H new ATOM 0 HA2 GLY A 14 13.326 -2.121 1.817 1.00 0.00 H new ATOM 0 HA3 GLY A 14 12.935 -1.405 3.368 1.00 0.00 H new ATOM 188 N ASN A 15 10.682 -3.311 1.864 1.00 0.00 N ATOM 189 CA ASN A 15 9.690 -4.396 1.891 1.00 0.00 C ATOM 190 C ASN A 15 8.407 -4.085 2.714 1.00 0.00 C ATOM 191 O ASN A 15 7.573 -4.972 2.901 1.00 0.00 O ATOM 192 CB ASN A 15 10.324 -5.753 2.285 1.00 0.00 C ATOM 193 CG ASN A 15 11.531 -6.234 1.488 1.00 0.00 C ATOM 194 OD1 ASN A 15 12.165 -5.529 0.711 1.00 0.00 O ATOM 195 ND2 ASN A 15 11.890 -7.485 1.666 1.00 0.00 N ATOM 0 H ASN A 15 10.599 -2.760 1.009 1.00 0.00 H new ATOM 0 HA ASN A 15 9.341 -4.479 0.862 1.00 0.00 H new ATOM 0 HB2 ASN A 15 10.617 -5.693 3.333 1.00 0.00 H new ATOM 0 HB3 ASN A 15 9.550 -6.517 2.214 1.00 0.00 H new ATOM 0 HD21 ASN A 15 12.691 -7.863 1.160 1.00 0.00 H new ATOM 0 HD22 ASN A 15 11.368 -8.079 2.311 1.00 0.00 H new ATOM 202 N THR A 16 8.205 -2.852 3.201 1.00 0.00 N ATOM 203 CA THR A 16 7.016 -2.468 3.997 1.00 0.00 C ATOM 204 C THR A 16 5.750 -2.418 3.130 1.00 0.00 C ATOM 205 O THR A 16 5.692 -1.614 2.202 1.00 0.00 O ATOM 206 CB THR A 16 7.244 -1.094 4.658 1.00 0.00 C ATOM 207 OG1 THR A 16 8.363 -1.144 5.519 1.00 0.00 O ATOM 208 CG2 THR A 16 6.063 -0.596 5.490 1.00 0.00 C ATOM 0 H THR A 16 8.862 -2.085 3.056 1.00 0.00 H new ATOM 0 HA THR A 16 6.872 -3.227 4.766 1.00 0.00 H new ATOM 0 HB THR A 16 7.392 -0.405 3.826 1.00 0.00 H new ATOM 0 HG1 THR A 16 9.175 -0.930 5.013 1.00 0.00 H new ATOM 0 HG21 THR A 16 6.305 0.376 5.920 1.00 0.00 H new ATOM 0 HG22 THR A 16 5.183 -0.502 4.853 1.00 0.00 H new ATOM 0 HG23 THR A 16 5.857 -1.306 6.291 1.00 0.00 H new ATOM 216 N CYS A 17 4.731 -3.241 3.424 1.00 0.00 N ATOM 217 CA CYS A 17 3.468 -3.307 2.677 1.00 0.00 C ATOM 218 C CYS A 17 2.275 -3.031 3.615 1.00 0.00 C ATOM 219 O CYS A 17 1.975 -3.846 4.491 1.00 0.00 O ATOM 220 CB CYS A 17 3.355 -4.687 2.010 1.00 0.00 C ATOM 221 SG CYS A 17 4.759 -5.019 0.904 1.00 0.00 S ATOM 0 H CYS A 17 4.765 -3.894 4.207 1.00 0.00 H new ATOM 0 HA CYS A 17 3.453 -2.541 1.901 1.00 0.00 H new ATOM 0 HB2 CYS A 17 3.307 -5.459 2.778 1.00 0.00 H new ATOM 0 HB3 CYS A 17 2.425 -4.742 1.444 1.00 0.00 H new ATOM 0 HG CYS A 17 5.861 -5.036 1.594 1.00 0.00 H new ATOM 227 N LEU A 18 1.620 -1.875 3.450 1.00 0.00 N ATOM 228 CA LEU A 18 0.518 -1.368 4.289 1.00 0.00 C ATOM 229 C LEU A 18 -0.800 -1.165 3.529 1.00 0.00 C ATOM 230 O LEU A 18 -0.828 -0.733 2.377 1.00 0.00 O ATOM 231 CB LEU A 18 0.959 -0.035 4.938 1.00 0.00 C ATOM 232 CG LEU A 18 1.657 -0.126 6.309 1.00 0.00 C ATOM 233 CD1 LEU A 18 2.732 -1.203 6.403 1.00 0.00 C ATOM 234 CD2 LEU A 18 2.290 1.225 6.646 1.00 0.00 C ATOM 0 H LEU A 18 1.853 -1.234 2.692 1.00 0.00 H new ATOM 0 HA LEU A 18 0.315 -2.129 5.043 1.00 0.00 H new ATOM 0 HB2 LEU A 18 1.632 0.473 4.247 1.00 0.00 H new ATOM 0 HB3 LEU A 18 0.078 0.597 5.047 1.00 0.00 H new ATOM 0 HG LEU A 18 0.878 -0.402 7.020 1.00 0.00 H new ATOM 0 HD11 LEU A 18 3.169 -1.195 7.402 1.00 0.00 H new ATOM 0 HD12 LEU A 18 2.287 -2.179 6.210 1.00 0.00 H new ATOM 0 HD13 LEU A 18 3.510 -1.006 5.665 1.00 0.00 H new ATOM 0 HD21 LEU A 18 2.784 1.163 7.615 1.00 0.00 H new ATOM 0 HD22 LEU A 18 3.022 1.485 5.881 1.00 0.00 H new ATOM 0 HD23 LEU A 18 1.515 1.991 6.682 1.00 0.00 H new ATOM 246 N GLU A 19 -1.896 -1.436 4.237 1.00 0.00 N ATOM 247 CA GLU A 19 -3.289 -1.280 3.801 1.00 0.00 C ATOM 248 C GLU A 19 -3.922 0.060 4.226 1.00 0.00 C ATOM 249 O GLU A 19 -5.049 0.357 3.828 1.00 0.00 O ATOM 250 CB GLU A 19 -4.141 -2.436 4.363 1.00 0.00 C ATOM 251 CG GLU A 19 -4.358 -2.451 5.884 1.00 0.00 C ATOM 252 CD GLU A 19 -3.153 -3.001 6.673 1.00 0.00 C ATOM 253 OE1 GLU A 19 -2.184 -2.238 6.906 1.00 0.00 O ATOM 254 OE2 GLU A 19 -3.177 -4.187 7.080 1.00 0.00 O ATOM 0 H GLU A 19 -1.834 -1.793 5.191 1.00 0.00 H new ATOM 0 HA GLU A 19 -3.273 -1.295 2.711 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -5.117 -2.407 3.879 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -3.671 -3.377 4.076 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -4.571 -1.437 6.222 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -5.237 -3.054 6.111 1.00 0.00 H new ATOM 261 N ASN A 20 -3.224 0.852 5.049 1.00 0.00 N ATOM 262 CA ASN A 20 -3.689 2.148 5.560 1.00 0.00 C ATOM 263 C ASN A 20 -2.514 3.123 5.779 1.00 0.00 C ATOM 264 O ASN A 20 -1.416 2.702 6.156 1.00 0.00 O ATOM 265 CB ASN A 20 -4.432 1.941 6.899 1.00 0.00 C ATOM 266 CG ASN A 20 -5.866 1.457 6.752 1.00 0.00 C ATOM 267 OD1 ASN A 20 -6.697 2.070 6.094 1.00 0.00 O ATOM 268 ND2 ASN A 20 -6.231 0.379 7.408 1.00 0.00 N ATOM 0 H ASN A 20 -2.295 0.603 5.387 1.00 0.00 H new ATOM 0 HA ASN A 20 -4.360 2.580 4.818 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -3.878 1.221 7.501 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -4.433 2.882 7.449 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -7.199 0.060 7.366 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -5.547 -0.139 7.959 1.00 0.00 H new ATOM 275 N GLY A 21 -2.761 4.426 5.592 1.00 0.00 N ATOM 276 CA GLY A 21 -1.788 5.508 5.813 1.00 0.00 C ATOM 277 C GLY A 21 -1.588 6.458 4.623 1.00 0.00 C ATOM 278 O GLY A 21 -2.288 6.373 3.612 1.00 0.00 O ATOM 0 H GLY A 21 -3.668 4.768 5.274 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -2.108 6.093 6.675 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -0.826 5.064 6.069 1.00 0.00 H new ATOM 282 N SER A 22 -0.615 7.363 4.774 1.00 0.00 N ATOM 283 CA SER A 22 -0.152 8.367 3.796 1.00 0.00 C ATOM 284 C SER A 22 1.321 8.684 4.086 1.00 0.00 C ATOM 285 O SER A 22 1.679 8.954 5.236 1.00 0.00 O ATOM 286 CB SER A 22 -0.972 9.662 3.902 1.00 0.00 C ATOM 287 OG SER A 22 -2.243 9.505 3.288 1.00 0.00 O ATOM 0 H SER A 22 -0.088 7.421 5.646 1.00 0.00 H new ATOM 0 HA SER A 22 -0.275 7.964 2.791 1.00 0.00 H new ATOM 0 HB2 SER A 22 -1.100 9.932 4.950 1.00 0.00 H new ATOM 0 HB3 SER A 22 -0.432 10.480 3.426 1.00 0.00 H new ATOM 0 HG SER A 22 -2.127 9.148 2.383 1.00 0.00 H new ATOM 293 N PHE A 23 2.198 8.618 3.080 1.00 0.00 N ATOM 294 CA PHE A 23 3.649 8.797 3.247 1.00 0.00 C ATOM 295 C PHE A 23 4.135 10.250 3.154 1.00 0.00 C ATOM 296 O PHE A 23 4.714 10.688 2.159 1.00 0.00 O ATOM 297 CB PHE A 23 4.380 7.846 2.295 1.00 0.00 C ATOM 298 CG PHE A 23 5.878 7.662 2.497 1.00 0.00 C ATOM 299 CD1 PHE A 23 6.477 7.767 3.771 1.00 0.00 C ATOM 300 CD2 PHE A 23 6.679 7.313 1.393 1.00 0.00 C ATOM 301 CE1 PHE A 23 7.858 7.549 3.921 1.00 0.00 C ATOM 302 CE2 PHE A 23 8.063 7.119 1.541 1.00 0.00 C ATOM 303 CZ PHE A 23 8.659 7.263 2.804 1.00 0.00 C ATOM 0 H PHE A 23 1.921 8.437 2.115 1.00 0.00 H new ATOM 0 HA PHE A 23 3.897 8.533 4.275 1.00 0.00 H new ATOM 0 HB2 PHE A 23 3.908 6.866 2.370 1.00 0.00 H new ATOM 0 HB3 PHE A 23 4.219 8.200 1.277 1.00 0.00 H new ATOM 0 HD1 PHE A 23 5.874 8.015 4.632 1.00 0.00 H new ATOM 0 HD2 PHE A 23 6.224 7.193 0.421 1.00 0.00 H new ATOM 0 HE1 PHE A 23 8.306 7.602 4.902 1.00 0.00 H new ATOM 0 HE2 PHE A 23 8.667 6.859 0.684 1.00 0.00 H new ATOM 0 HZ PHE A 23 9.728 7.154 2.916 1.00 0.00 H new ATOM 313 N LEU A 24 3.899 11.019 4.219 1.00 0.00 N ATOM 314 CA LEU A 24 4.251 12.441 4.318 1.00 0.00 C ATOM 315 C LEU A 24 5.728 12.781 4.017 1.00 0.00 C ATOM 316 O LEU A 24 6.017 13.891 3.570 1.00 0.00 O ATOM 317 CB LEU A 24 3.799 12.992 5.689 1.00 0.00 C ATOM 318 CG LEU A 24 2.315 13.398 5.816 1.00 0.00 C ATOM 319 CD1 LEU A 24 1.978 14.600 4.934 1.00 0.00 C ATOM 320 CD2 LEU A 24 1.321 12.282 5.500 1.00 0.00 C ATOM 0 H LEU A 24 3.446 10.662 5.060 1.00 0.00 H new ATOM 0 HA LEU A 24 3.708 12.943 3.517 1.00 0.00 H new ATOM 0 HB2 LEU A 24 4.012 12.237 6.446 1.00 0.00 H new ATOM 0 HB3 LEU A 24 4.412 13.862 5.925 1.00 0.00 H new ATOM 0 HG LEU A 24 2.205 13.650 6.871 1.00 0.00 H new ATOM 0 HD11 LEU A 24 0.925 14.854 5.052 1.00 0.00 H new ATOM 0 HD12 LEU A 24 2.592 15.451 5.229 1.00 0.00 H new ATOM 0 HD13 LEU A 24 2.177 14.353 3.891 1.00 0.00 H new ATOM 0 HD21 LEU A 24 0.304 12.657 5.615 1.00 0.00 H new ATOM 0 HD22 LEU A 24 1.469 11.943 4.475 1.00 0.00 H new ATOM 0 HD23 LEU A 24 1.480 11.449 6.184 1.00 0.00 H new ATOM 332 N LEU A 25 6.659 11.837 4.203 1.00 0.00 N ATOM 333 CA LEU A 25 8.085 12.009 3.870 1.00 0.00 C ATOM 334 C LEU A 25 8.357 12.015 2.349 1.00 0.00 C ATOM 335 O LEU A 25 9.391 12.531 1.922 1.00 0.00 O ATOM 336 CB LEU A 25 8.910 10.920 4.581 1.00 0.00 C ATOM 337 CG LEU A 25 9.107 11.152 6.093 1.00 0.00 C ATOM 338 CD1 LEU A 25 9.788 9.935 6.718 1.00 0.00 C ATOM 339 CD2 LEU A 25 9.976 12.377 6.396 1.00 0.00 C ATOM 0 H LEU A 25 6.444 10.920 4.594 1.00 0.00 H new ATOM 0 HA LEU A 25 8.391 12.993 4.226 1.00 0.00 H new ATOM 0 HB2 LEU A 25 8.420 9.957 4.435 1.00 0.00 H new ATOM 0 HB3 LEU A 25 9.889 10.855 4.106 1.00 0.00 H new ATOM 0 HG LEU A 25 8.114 11.317 6.512 1.00 0.00 H new ATOM 0 HD11 LEU A 25 9.925 10.103 7.786 1.00 0.00 H new ATOM 0 HD12 LEU A 25 9.166 9.053 6.567 1.00 0.00 H new ATOM 0 HD13 LEU A 25 10.759 9.780 6.248 1.00 0.00 H new ATOM 0 HD21 LEU A 25 10.080 12.491 7.475 1.00 0.00 H new ATOM 0 HD22 LEU A 25 10.961 12.244 5.948 1.00 0.00 H new ATOM 0 HD23 LEU A 25 9.506 13.268 5.981 1.00 0.00 H new ATOM 351 N ASN A 26 7.429 11.506 1.528 1.00 0.00 N ATOM 352 CA ASN A 26 7.498 11.541 0.061 1.00 0.00 C ATOM 353 C ASN A 26 6.562 12.633 -0.474 1.00 0.00 C ATOM 354 O ASN A 26 6.884 13.274 -1.467 1.00 0.00 O ATOM 355 CB ASN A 26 7.112 10.161 -0.496 1.00 0.00 C ATOM 356 CG ASN A 26 7.319 10.054 -2.001 1.00 0.00 C ATOM 357 OD1 ASN A 26 8.195 10.664 -2.581 1.00 0.00 O ATOM 358 ND2 ASN A 26 6.553 9.272 -2.711 1.00 0.00 N ATOM 0 H ASN A 26 6.587 11.046 1.875 1.00 0.00 H new ATOM 0 HA ASN A 26 8.513 11.775 -0.261 1.00 0.00 H new ATOM 0 HB2 ASN A 26 7.704 9.394 0.003 1.00 0.00 H new ATOM 0 HB3 ASN A 26 6.067 9.959 -0.262 1.00 0.00 H new ATOM 0 HD21 ASN A 26 6.701 9.189 -3.717 1.00 0.00 H new ATOM 0 HD22 ASN A 26 5.806 8.743 -2.260 1.00 0.00 H new ATOM 365 N PHE A 27 5.423 12.883 0.180 1.00 0.00 N ATOM 366 CA PHE A 27 4.515 13.968 -0.210 1.00 0.00 C ATOM 367 C PHE A 27 5.198 15.329 -0.007 1.00 0.00 C ATOM 368 O PHE A 27 5.425 15.765 1.125 1.00 0.00 O ATOM 369 CB PHE A 27 3.199 13.911 0.569 1.00 0.00 C ATOM 370 CG PHE A 27 2.168 14.959 0.156 1.00 0.00 C ATOM 371 CD1 PHE A 27 1.690 15.016 -1.168 1.00 0.00 C ATOM 372 CD2 PHE A 27 1.660 15.867 1.106 1.00 0.00 C ATOM 373 CE1 PHE A 27 0.688 15.938 -1.538 1.00 0.00 C ATOM 374 CE2 PHE A 27 0.650 16.778 0.746 1.00 0.00 C ATOM 375 CZ PHE A 27 0.154 16.802 -0.569 1.00 0.00 C ATOM 0 H PHE A 27 5.106 12.345 0.987 1.00 0.00 H new ATOM 0 HA PHE A 27 4.278 13.841 -1.266 1.00 0.00 H new ATOM 0 HB2 PHE A 27 2.761 12.921 0.444 1.00 0.00 H new ATOM 0 HB3 PHE A 27 3.415 14.032 1.630 1.00 0.00 H new ATOM 0 HD1 PHE A 27 2.096 14.345 -1.910 1.00 0.00 H new ATOM 0 HD2 PHE A 27 2.047 15.864 2.114 1.00 0.00 H new ATOM 0 HE1 PHE A 27 0.335 15.979 -2.558 1.00 0.00 H new ATOM 0 HE2 PHE A 27 0.254 17.461 1.483 1.00 0.00 H new ATOM 0 HZ PHE A 27 -0.639 17.486 -0.834 1.00 0.00 H new ATOM 385 N THR A 28 5.507 16.020 -1.099 1.00 0.00 N ATOM 386 CA THR A 28 6.147 17.354 -1.088 1.00 0.00 C ATOM 387 C THR A 28 5.120 18.493 -1.067 1.00 0.00 C ATOM 388 O THR A 28 5.489 19.670 -1.117 1.00 0.00 O ATOM 389 CB THR A 28 7.081 17.536 -2.299 1.00 0.00 C ATOM 390 OG1 THR A 28 6.394 17.288 -3.505 1.00 0.00 O ATOM 391 CG2 THR A 28 8.263 16.573 -2.242 1.00 0.00 C ATOM 0 H THR A 28 5.321 15.672 -2.040 1.00 0.00 H new ATOM 0 HA THR A 28 6.731 17.402 -0.169 1.00 0.00 H new ATOM 0 HB THR A 28 7.436 18.566 -2.264 1.00 0.00 H new ATOM 0 HG1 THR A 28 7.005 17.411 -4.261 1.00 0.00 H new ATOM 0 HG21 THR A 28 8.901 16.729 -3.112 1.00 0.00 H new ATOM 0 HG22 THR A 28 8.837 16.755 -1.333 1.00 0.00 H new ATOM 0 HG23 THR A 28 7.896 15.547 -2.240 1.00 0.00 H new ATOM 399 N GLY A 29 3.831 18.150 -1.003 1.00 0.00 N ATOM 400 CA GLY A 29 2.709 19.078 -1.076 1.00 0.00 C ATOM 401 C GLY A 29 2.165 19.119 -2.509 1.00 0.00 C ATOM 402 O GLY A 29 2.926 18.930 -3.465 1.00 0.00 O ATOM 0 H GLY A 29 3.533 17.180 -0.895 1.00 0.00 H new ATOM 0 HA2 GLY A 29 1.923 18.768 -0.387 1.00 0.00 H new ATOM 0 HA3 GLY A 29 3.028 20.074 -0.769 1.00 0.00 H new ATOM 406 N CYS A 30 0.862 19.358 -2.644 1.00 0.00 N ATOM 407 CA CYS A 30 0.137 19.391 -3.907 1.00 0.00 C ATOM 408 C CYS A 30 0.743 20.333 -4.953 1.00 0.00 C ATOM 409 O CYS A 30 1.550 21.224 -4.653 1.00 0.00 O ATOM 410 CB CYS A 30 -1.340 19.746 -3.629 1.00 0.00 C ATOM 411 SG CYS A 30 -2.466 19.286 -5.011 1.00 0.00 S ATOM 0 H CYS A 30 0.260 19.541 -1.841 1.00 0.00 H new ATOM 0 HA CYS A 30 0.214 18.397 -4.348 1.00 0.00 H new ATOM 0 HB2 CYS A 30 -1.664 19.239 -2.720 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -1.421 20.817 -3.443 1.00 0.00 H new ATOM 0 HG CYS A 30 -2.062 18.173 -5.548 1.00 0.00 H new ATOM 416 N ALA A 31 0.276 20.182 -6.182 1.00 0.00 N ATOM 417 CA ALA A 31 0.587 21.070 -7.293 1.00 0.00 C ATOM 418 C ALA A 31 -0.680 21.627 -7.968 1.00 0.00 C ATOM 419 O ALA A 31 -0.570 22.609 -8.715 1.00 0.00 O ATOM 420 CB ALA A 31 1.571 20.426 -8.272 1.00 0.00 C ATOM 0 H ALA A 31 -0.347 19.418 -6.442 1.00 0.00 H new ATOM 0 HA ALA A 31 1.099 21.941 -6.883 1.00 0.00 H new ATOM 0 HB1 ALA A 31 1.779 21.119 -9.087 1.00 0.00 H new ATOM 0 HB2 ALA A 31 2.499 20.189 -7.752 1.00 0.00 H new ATOM 0 HB3 ALA A 31 1.137 19.511 -8.675 1.00 0.00 H new ATOM 426 N VAL A 32 -1.880 21.103 -7.671 1.00 0.00 N ATOM 427 CA VAL A 32 -3.138 21.696 -8.145 1.00 0.00 C ATOM 428 C VAL A 32 -3.420 22.984 -7.350 1.00 0.00 C ATOM 429 O VAL A 32 -3.924 23.955 -7.925 1.00 0.00 O ATOM 430 CB VAL A 32 -4.331 20.706 -8.059 1.00 0.00 C ATOM 431 CG1 VAL A 32 -5.716 21.354 -8.233 1.00 0.00 C ATOM 432 CG2 VAL A 32 -4.250 19.638 -9.159 1.00 0.00 C ATOM 0 H VAL A 32 -2.004 20.266 -7.102 1.00 0.00 H new ATOM 0 HA VAL A 32 -3.025 21.938 -9.202 1.00 0.00 H new ATOM 0 HB VAL A 32 -4.241 20.294 -7.054 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -6.488 20.588 -8.158 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -5.869 22.101 -7.454 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -5.773 21.833 -9.210 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -5.099 18.960 -9.072 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -4.270 20.120 -10.136 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -3.323 19.074 -9.051 1.00 0.00 H new ATOM 442 N CYS A 33 -3.065 23.014 -6.056 1.00 0.00 N ATOM 443 CA CYS A 33 -3.275 24.133 -5.132 1.00 0.00 C ATOM 444 C CYS A 33 -2.054 24.562 -4.277 1.00 0.00 C ATOM 445 O CYS A 33 -2.067 25.666 -3.718 1.00 0.00 O ATOM 446 CB CYS A 33 -4.431 23.753 -4.205 1.00 0.00 C ATOM 447 SG CYS A 33 -3.932 22.376 -3.118 1.00 0.00 S ATOM 0 H CYS A 33 -2.603 22.222 -5.608 1.00 0.00 H new ATOM 0 HA CYS A 33 -3.482 25.003 -5.756 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -4.724 24.614 -3.604 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -5.301 23.465 -4.795 1.00 0.00 H new ATOM 0 HG CYS A 33 -3.442 21.411 -3.838 1.00 0.00 H new ATOM 452 N SER A 34 -1.000 23.736 -4.189 1.00 0.00 N ATOM 453 CA SER A 34 0.250 23.992 -3.438 1.00 0.00 C ATOM 454 C SER A 34 0.192 23.756 -1.904 1.00 0.00 C ATOM 455 O SER A 34 1.027 24.289 -1.165 1.00 0.00 O ATOM 456 CB SER A 34 0.849 25.363 -3.817 1.00 0.00 C ATOM 457 OG SER A 34 2.266 25.368 -3.703 1.00 0.00 O ATOM 0 H SER A 34 -0.990 22.830 -4.658 1.00 0.00 H new ATOM 0 HA SER A 34 0.935 23.210 -3.764 1.00 0.00 H new ATOM 0 HB2 SER A 34 0.565 25.614 -4.839 1.00 0.00 H new ATOM 0 HB3 SER A 34 0.429 26.134 -3.171 1.00 0.00 H new ATOM 0 HG SER A 34 2.525 25.006 -2.830 1.00 0.00 H new ATOM 463 N LYS A 35 -0.758 22.963 -1.377 1.00 0.00 N ATOM 464 CA LYS A 35 -0.876 22.660 0.074 1.00 0.00 C ATOM 465 C LYS A 35 -0.071 21.421 0.499 1.00 0.00 C ATOM 466 O LYS A 35 -0.003 20.439 -0.235 1.00 0.00 O ATOM 467 CB LYS A 35 -2.354 22.432 0.433 1.00 0.00 C ATOM 468 CG LYS A 35 -3.134 23.752 0.558 1.00 0.00 C ATOM 469 CD LYS A 35 -3.637 23.966 1.988 1.00 0.00 C ATOM 470 CE LYS A 35 -4.271 25.355 2.123 1.00 0.00 C ATOM 471 NZ LYS A 35 -4.699 25.630 3.520 1.00 0.00 N ATOM 0 H LYS A 35 -1.474 22.508 -1.944 1.00 0.00 H new ATOM 0 HA LYS A 35 -0.466 23.518 0.607 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -2.819 21.808 -0.330 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -2.417 21.885 1.374 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -2.494 24.585 0.267 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -3.979 23.744 -0.130 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -4.367 23.198 2.243 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -2.810 23.866 2.691 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -3.556 26.114 1.805 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -5.131 25.429 1.458 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -5.579 26.184 3.511 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -4.861 24.731 4.017 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -3.957 26.168 4.011 1.00 0.00 H new ATOM 485 N ARG A 36 0.473 21.423 1.724 1.00 0.00 N ATOM 486 CA ARG A 36 1.189 20.286 2.353 1.00 0.00 C ATOM 487 C ARG A 36 0.498 19.895 3.670 1.00 0.00 C ATOM 488 O ARG A 36 -0.303 20.671 4.182 1.00 0.00 O ATOM 489 CB ARG A 36 2.687 20.594 2.499 1.00 0.00 C ATOM 490 CG ARG A 36 3.486 19.307 2.777 1.00 0.00 C ATOM 491 CD ARG A 36 4.966 19.472 2.458 1.00 0.00 C ATOM 492 NE ARG A 36 5.670 18.181 2.606 1.00 0.00 N ATOM 493 CZ ARG A 36 6.721 17.892 3.349 1.00 0.00 C ATOM 494 NH1 ARG A 36 7.364 18.788 4.043 1.00 0.00 N ATOM 495 NH2 ARG A 36 7.142 16.663 3.405 1.00 0.00 N ATOM 0 H ARG A 36 0.429 22.241 2.332 1.00 0.00 H new ATOM 0 HA ARG A 36 1.136 19.411 1.705 1.00 0.00 H new ATOM 0 HB2 ARG A 36 3.056 21.067 1.589 1.00 0.00 H new ATOM 0 HB3 ARG A 36 2.839 21.304 3.312 1.00 0.00 H new ATOM 0 HG2 ARG A 36 3.370 19.028 3.824 1.00 0.00 H new ATOM 0 HG3 ARG A 36 3.076 18.491 2.182 1.00 0.00 H new ATOM 0 HD2 ARG A 36 5.086 19.845 1.441 1.00 0.00 H new ATOM 0 HD3 ARG A 36 5.408 20.213 3.124 1.00 0.00 H new ATOM 0 HE ARG A 36 5.292 17.408 2.059 1.00 0.00 H new ATOM 0 HH11 ARG A 36 7.059 19.761 4.026 1.00 0.00 H new ATOM 0 HH12 ARG A 36 8.172 18.516 4.603 1.00 0.00 H new ATOM 0 HH21 ARG A 36 6.661 15.934 2.878 1.00 0.00 H new ATOM 0 HH22 ARG A 36 7.954 16.427 3.976 1.00 0.00 H new ATOM 509 N ASP A 37 0.766 18.691 4.191 1.00 0.00 N ATOM 510 CA ASP A 37 0.136 18.100 5.395 1.00 0.00 C ATOM 511 C ASP A 37 -1.410 18.082 5.377 1.00 0.00 C ATOM 512 O ASP A 37 -2.094 18.067 6.402 1.00 0.00 O ATOM 513 CB ASP A 37 0.768 18.615 6.695 1.00 0.00 C ATOM 514 CG ASP A 37 0.571 20.108 7.024 1.00 0.00 C ATOM 515 OD1 ASP A 37 -0.452 20.475 7.651 1.00 0.00 O ATOM 516 OD2 ASP A 37 1.498 20.909 6.747 1.00 0.00 O ATOM 0 H ASP A 37 1.457 18.069 3.772 1.00 0.00 H new ATOM 0 HA ASP A 37 0.375 17.037 5.361 1.00 0.00 H new ATOM 0 HB2 ASP A 37 0.366 18.030 7.522 1.00 0.00 H new ATOM 0 HB3 ASP A 37 1.839 18.415 6.654 1.00 0.00 H new ATOM 521 N PHE A 38 -1.944 18.066 4.157 1.00 0.00 N ATOM 522 CA PHE A 38 -3.353 18.100 3.774 1.00 0.00 C ATOM 523 C PHE A 38 -3.724 16.900 2.893 1.00 0.00 C ATOM 524 O PHE A 38 -3.505 16.906 1.684 1.00 0.00 O ATOM 525 CB PHE A 38 -3.672 19.432 3.070 1.00 0.00 C ATOM 526 CG PHE A 38 -4.128 20.567 3.973 1.00 0.00 C ATOM 527 CD1 PHE A 38 -3.385 20.978 5.097 1.00 0.00 C ATOM 528 CD2 PHE A 38 -5.346 21.213 3.687 1.00 0.00 C ATOM 529 CE1 PHE A 38 -3.842 22.037 5.902 1.00 0.00 C ATOM 530 CE2 PHE A 38 -5.801 22.277 4.484 1.00 0.00 C ATOM 531 CZ PHE A 38 -5.049 22.689 5.598 1.00 0.00 C ATOM 0 H PHE A 38 -1.343 18.025 3.334 1.00 0.00 H new ATOM 0 HA PHE A 38 -3.959 18.030 4.677 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -2.783 19.758 2.530 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -4.448 19.251 2.326 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -2.460 20.477 5.342 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -5.938 20.887 2.845 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -3.262 22.350 6.758 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -6.727 22.777 4.241 1.00 0.00 H new ATOM 0 HZ PHE A 38 -5.397 23.503 6.217 1.00 0.00 H new ATOM 541 N MET A 39 -4.332 15.881 3.504 1.00 0.00 N ATOM 542 CA MET A 39 -4.833 14.692 2.794 1.00 0.00 C ATOM 543 C MET A 39 -5.891 13.880 3.557 1.00 0.00 C ATOM 544 O MET A 39 -5.891 13.796 4.787 1.00 0.00 O ATOM 545 CB MET A 39 -3.711 13.745 2.316 1.00 0.00 C ATOM 546 CG MET A 39 -2.614 13.453 3.353 1.00 0.00 C ATOM 547 SD MET A 39 -0.949 14.016 2.905 1.00 0.00 S ATOM 548 CE MET A 39 -0.640 12.988 1.442 1.00 0.00 C ATOM 0 H MET A 39 -4.494 15.853 4.511 1.00 0.00 H new ATOM 0 HA MET A 39 -5.325 15.127 1.924 1.00 0.00 H new ATOM 0 HB2 MET A 39 -4.161 12.800 2.011 1.00 0.00 H new ATOM 0 HB3 MET A 39 -3.245 14.177 1.430 1.00 0.00 H new ATOM 0 HG2 MET A 39 -2.896 13.921 4.296 1.00 0.00 H new ATOM 0 HG3 MET A 39 -2.581 12.378 3.528 1.00 0.00 H new ATOM 0 HE1 MET A 39 0.434 12.893 1.284 1.00 0.00 H new ATOM 0 HE2 MET A 39 -1.073 11.999 1.594 1.00 0.00 H new ATOM 0 HE3 MET A 39 -1.095 13.453 0.568 1.00 0.00 H new ATOM 558 N LEU A 40 -6.758 13.252 2.761 1.00 0.00 N ATOM 559 CA LEU A 40 -7.881 12.362 3.065 1.00 0.00 C ATOM 560 C LEU A 40 -7.730 11.056 2.260 1.00 0.00 C ATOM 561 O LEU A 40 -6.968 10.991 1.293 1.00 0.00 O ATOM 562 CB LEU A 40 -9.197 13.076 2.661 1.00 0.00 C ATOM 563 CG LEU A 40 -9.918 13.952 3.703 1.00 0.00 C ATOM 564 CD1 LEU A 40 -10.922 13.118 4.502 1.00 0.00 C ATOM 565 CD2 LEU A 40 -9.015 14.628 4.717 1.00 0.00 C ATOM 0 H LEU A 40 -6.677 13.373 1.751 1.00 0.00 H new ATOM 0 HA LEU A 40 -7.898 12.125 4.129 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -8.980 13.703 1.797 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -9.899 12.311 2.331 1.00 0.00 H new ATOM 0 HG LEU A 40 -10.392 14.730 3.104 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -11.422 13.753 5.233 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -11.662 12.692 3.825 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -10.398 12.314 5.018 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -9.619 15.220 5.404 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -8.465 13.871 5.277 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -8.311 15.279 4.200 1.00 0.00 H new ATOM 577 N ILE A 41 -8.503 10.034 2.629 1.00 0.00 N ATOM 578 CA ILE A 41 -8.584 8.728 1.962 1.00 0.00 C ATOM 579 C ILE A 41 -10.067 8.454 1.700 1.00 0.00 C ATOM 580 O ILE A 41 -10.903 8.636 2.590 1.00 0.00 O ATOM 581 CB ILE A 41 -7.950 7.626 2.847 1.00 0.00 C ATOM 582 CG1 ILE A 41 -6.420 7.831 2.959 1.00 0.00 C ATOM 583 CG2 ILE A 41 -8.278 6.213 2.308 1.00 0.00 C ATOM 584 CD1 ILE A 41 -5.748 6.937 4.011 1.00 0.00 C ATOM 0 H ILE A 41 -9.120 10.094 3.439 1.00 0.00 H new ATOM 0 HA ILE A 41 -8.030 8.729 1.023 1.00 0.00 H new ATOM 0 HB ILE A 41 -8.382 7.708 3.844 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -5.965 7.637 1.988 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -6.220 8.875 3.202 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -7.819 5.463 2.951 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -9.358 6.069 2.297 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -7.888 6.110 1.295 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -4.677 7.139 4.030 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -6.174 7.147 4.992 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -5.915 5.890 3.759 1.00 0.00 H new ATOM 596 N THR A 42 -10.398 8.007 0.489 1.00 0.00 N ATOM 597 CA THR A 42 -11.779 7.668 0.102 1.00 0.00 C ATOM 598 C THR A 42 -11.815 6.510 -0.898 1.00 0.00 C ATOM 599 O THR A 42 -10.774 6.089 -1.405 1.00 0.00 O ATOM 600 CB THR A 42 -12.533 8.911 -0.417 1.00 0.00 C ATOM 601 OG1 THR A 42 -13.903 8.750 -0.115 1.00 0.00 O ATOM 602 CG2 THR A 42 -12.442 9.142 -1.927 1.00 0.00 C ATOM 0 H THR A 42 -9.718 7.867 -0.258 1.00 0.00 H new ATOM 0 HA THR A 42 -12.301 7.326 0.995 1.00 0.00 H new ATOM 0 HB THR A 42 -12.063 9.766 0.069 1.00 0.00 H new ATOM 0 HG1 THR A 42 -14.402 9.530 -0.435 1.00 0.00 H new ATOM 0 HG21 THR A 42 -13.003 10.038 -2.192 1.00 0.00 H new ATOM 0 HG22 THR A 42 -11.398 9.270 -2.213 1.00 0.00 H new ATOM 0 HG23 THR A 42 -12.860 8.283 -2.452 1.00 0.00 H new ATOM 610 N ASN A 43 -13.015 5.997 -1.189 1.00 0.00 N ATOM 611 CA ASN A 43 -13.314 4.898 -2.128 1.00 0.00 C ATOM 612 C ASN A 43 -12.604 3.554 -1.817 1.00 0.00 C ATOM 613 O ASN A 43 -12.580 2.641 -2.645 1.00 0.00 O ATOM 614 CB ASN A 43 -13.220 5.426 -3.584 1.00 0.00 C ATOM 615 CG ASN A 43 -12.064 4.924 -4.440 1.00 0.00 C ATOM 616 OD1 ASN A 43 -12.251 4.348 -5.504 1.00 0.00 O ATOM 617 ND2 ASN A 43 -10.844 5.152 -4.023 1.00 0.00 N ATOM 0 H ASN A 43 -13.862 6.358 -0.749 1.00 0.00 H new ATOM 0 HA ASN A 43 -14.348 4.585 -1.982 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -14.150 5.175 -4.094 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -13.162 6.514 -3.544 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -10.048 4.850 -4.585 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -10.689 5.632 -3.136 1.00 0.00 H new ATOM 624 N LYS A 44 -12.043 3.441 -0.604 1.00 0.00 N ATOM 625 CA LYS A 44 -11.305 2.290 -0.070 1.00 0.00 C ATOM 626 C LYS A 44 -12.084 0.984 -0.207 1.00 0.00 C ATOM 627 O LYS A 44 -13.078 0.756 0.486 1.00 0.00 O ATOM 628 CB LYS A 44 -10.922 2.582 1.386 1.00 0.00 C ATOM 629 CG LYS A 44 -9.846 1.623 1.927 1.00 0.00 C ATOM 630 CD LYS A 44 -9.099 2.182 3.147 1.00 0.00 C ATOM 631 CE LYS A 44 -10.016 2.364 4.364 1.00 0.00 C ATOM 632 NZ LYS A 44 -9.295 3.019 5.486 1.00 0.00 N ATOM 0 H LYS A 44 -12.097 4.202 0.073 1.00 0.00 H new ATOM 0 HA LYS A 44 -10.399 2.148 -0.659 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -10.559 3.607 1.462 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -11.812 2.511 2.012 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -10.314 0.677 2.197 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -9.128 1.409 1.136 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -8.282 1.509 3.409 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -8.651 3.141 2.887 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -10.881 2.965 4.084 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -10.393 1.394 4.687 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -9.840 2.903 6.364 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -8.359 2.581 5.600 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -9.180 4.032 5.281 1.00 0.00 H new ATOM 646 N SER A 45 -11.619 0.145 -1.121 1.00 0.00 N ATOM 647 CA SER A 45 -12.192 -1.154 -1.449 1.00 0.00 C ATOM 648 C SER A 45 -11.338 -2.315 -0.942 1.00 0.00 C ATOM 649 O SER A 45 -10.126 -2.190 -0.759 1.00 0.00 O ATOM 650 CB SER A 45 -12.365 -1.256 -2.970 1.00 0.00 C ATOM 651 OG SER A 45 -13.373 -0.361 -3.418 1.00 0.00 O ATOM 0 H SER A 45 -10.794 0.361 -1.680 1.00 0.00 H new ATOM 0 HA SER A 45 -13.158 -1.229 -0.949 1.00 0.00 H new ATOM 0 HB2 SER A 45 -11.421 -1.027 -3.465 1.00 0.00 H new ATOM 0 HB3 SER A 45 -12.629 -2.277 -3.244 1.00 0.00 H new ATOM 0 HG SER A 45 -13.134 0.555 -3.163 1.00 0.00 H new ATOM 657 N LEU A 46 -11.984 -3.467 -0.750 1.00 0.00 N ATOM 658 CA LEU A 46 -11.368 -4.711 -0.294 1.00 0.00 C ATOM 659 C LEU A 46 -11.949 -5.912 -1.054 1.00 0.00 C ATOM 660 O LEU A 46 -13.159 -5.986 -1.293 1.00 0.00 O ATOM 661 CB LEU A 46 -11.522 -4.839 1.234 1.00 0.00 C ATOM 662 CG LEU A 46 -11.086 -6.209 1.810 1.00 0.00 C ATOM 663 CD1 LEU A 46 -10.468 -6.029 3.198 1.00 0.00 C ATOM 664 CD2 LEU A 46 -12.253 -7.190 1.968 1.00 0.00 C ATOM 0 H LEU A 46 -12.986 -3.561 -0.914 1.00 0.00 H new ATOM 0 HA LEU A 46 -10.300 -4.695 -0.513 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -10.936 -4.055 1.713 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -12.565 -4.663 1.498 1.00 0.00 H new ATOM 0 HG LEU A 46 -10.370 -6.615 1.095 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -10.166 -7.000 3.591 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -9.596 -5.379 3.126 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -11.201 -5.579 3.867 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -11.884 -8.131 2.376 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -12.995 -6.767 2.645 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -12.711 -7.370 0.995 1.00 0.00 H new ATOM 676 N LYS A 47 -11.072 -6.840 -1.445 1.00 0.00 N ATOM 677 CA LYS A 47 -11.354 -8.055 -2.198 1.00 0.00 C ATOM 678 C LYS A 47 -10.690 -9.266 -1.559 1.00 0.00 C ATOM 679 O LYS A 47 -9.608 -9.145 -0.994 1.00 0.00 O ATOM 680 CB LYS A 47 -10.845 -7.872 -3.631 1.00 0.00 C ATOM 681 CG LYS A 47 -11.841 -8.365 -4.677 1.00 0.00 C ATOM 682 CD LYS A 47 -13.060 -7.441 -4.832 1.00 0.00 C ATOM 683 CE LYS A 47 -13.992 -7.982 -5.923 1.00 0.00 C ATOM 684 NZ LYS A 47 -15.185 -7.114 -6.103 1.00 0.00 N ATOM 0 H LYS A 47 -10.080 -6.752 -1.227 1.00 0.00 H new ATOM 0 HA LYS A 47 -12.430 -8.231 -2.199 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -10.634 -6.817 -3.805 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -9.904 -8.409 -3.749 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -11.335 -8.453 -5.638 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -12.182 -9.363 -4.403 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -13.596 -7.371 -3.886 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -12.733 -6.433 -5.088 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -13.448 -8.053 -6.865 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -14.311 -8.991 -5.662 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -15.793 -7.510 -6.848 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -15.717 -7.066 -5.211 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -14.881 -6.158 -6.376 1.00 0.00 H new ATOM 698 N GLU A 48 -11.319 -10.430 -1.646 1.00 0.00 N ATOM 699 CA GLU A 48 -10.731 -11.673 -1.121 1.00 0.00 C ATOM 700 C GLU A 48 -10.972 -12.858 -2.075 1.00 0.00 C ATOM 701 O GLU A 48 -12.113 -13.272 -2.292 1.00 0.00 O ATOM 702 CB GLU A 48 -11.334 -11.992 0.260 1.00 0.00 C ATOM 703 CG GLU A 48 -11.105 -10.925 1.337 1.00 0.00 C ATOM 704 CD GLU A 48 -11.706 -11.389 2.679 1.00 0.00 C ATOM 705 OE1 GLU A 48 -11.050 -12.167 3.414 1.00 0.00 O ATOM 706 OE2 GLU A 48 -12.852 -10.990 3.006 1.00 0.00 O ATOM 0 H GLU A 48 -12.237 -10.548 -2.074 1.00 0.00 H new ATOM 0 HA GLU A 48 -9.655 -11.523 -1.031 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -12.407 -12.143 0.144 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -10.916 -12.935 0.612 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -10.038 -10.738 1.453 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -11.562 -9.984 1.031 1.00 0.00 H new ATOM 713 N GLU A 49 -9.895 -13.428 -2.626 1.00 0.00 N ATOM 714 CA GLU A 49 -9.909 -14.638 -3.464 1.00 0.00 C ATOM 715 C GLU A 49 -9.092 -15.798 -2.873 1.00 0.00 C ATOM 716 O GLU A 49 -7.877 -15.689 -2.752 1.00 0.00 O ATOM 717 CB GLU A 49 -9.448 -14.339 -4.897 1.00 0.00 C ATOM 718 CG GLU A 49 -10.406 -13.398 -5.640 1.00 0.00 C ATOM 719 CD GLU A 49 -10.018 -13.265 -7.126 1.00 0.00 C ATOM 720 OE1 GLU A 49 -10.406 -14.142 -7.938 1.00 0.00 O ATOM 721 OE2 GLU A 49 -9.339 -12.278 -7.499 1.00 0.00 O ATOM 0 H GLU A 49 -8.957 -13.049 -2.498 1.00 0.00 H new ATOM 0 HA GLU A 49 -10.949 -14.962 -3.489 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -8.454 -13.892 -4.869 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -9.362 -15.274 -5.450 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -11.425 -13.776 -5.560 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -10.393 -12.415 -5.169 1.00 0.00 H new ATOM 728 N ASP A 50 -9.708 -16.952 -2.623 1.00 0.00 N ATOM 729 CA ASP A 50 -9.056 -18.221 -2.213 1.00 0.00 C ATOM 730 C ASP A 50 -7.978 -18.170 -1.091 1.00 0.00 C ATOM 731 O ASP A 50 -7.134 -19.064 -0.979 1.00 0.00 O ATOM 732 CB ASP A 50 -8.508 -18.866 -3.502 1.00 0.00 C ATOM 733 CG ASP A 50 -8.244 -20.380 -3.374 1.00 0.00 C ATOM 734 OD1 ASP A 50 -9.125 -21.113 -2.860 1.00 0.00 O ATOM 735 OD2 ASP A 50 -7.183 -20.856 -3.847 1.00 0.00 O ATOM 0 H ASP A 50 -10.721 -17.045 -2.701 1.00 0.00 H new ATOM 0 HA ASP A 50 -9.825 -18.814 -1.718 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -9.217 -18.697 -4.312 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -7.580 -18.367 -3.781 1.00 0.00 H new ATOM 740 N GLY A 51 -7.978 -17.118 -0.270 1.00 0.00 N ATOM 741 CA GLY A 51 -7.007 -16.855 0.810 1.00 0.00 C ATOM 742 C GLY A 51 -6.217 -15.553 0.610 1.00 0.00 C ATOM 743 O GLY A 51 -5.711 -14.983 1.577 1.00 0.00 O ATOM 0 H GLY A 51 -8.686 -16.387 -0.338 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -7.536 -16.809 1.762 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -6.309 -17.690 0.873 1.00 0.00 H new ATOM 747 N GLU A 52 -6.145 -15.053 -0.626 1.00 0.00 N ATOM 748 CA GLU A 52 -5.538 -13.766 -0.972 1.00 0.00 C ATOM 749 C GLU A 52 -6.485 -12.641 -0.538 1.00 0.00 C ATOM 750 O GLU A 52 -7.688 -12.704 -0.790 1.00 0.00 O ATOM 751 CB GLU A 52 -5.257 -13.701 -2.490 1.00 0.00 C ATOM 752 CG GLU A 52 -4.706 -12.357 -3.011 1.00 0.00 C ATOM 753 CD GLU A 52 -4.530 -12.315 -4.549 1.00 0.00 C ATOM 754 OE1 GLU A 52 -4.941 -13.256 -5.274 1.00 0.00 O ATOM 755 OE2 GLU A 52 -3.985 -11.306 -5.062 1.00 0.00 O ATOM 0 H GLU A 52 -6.518 -15.547 -1.437 1.00 0.00 H new ATOM 0 HA GLU A 52 -4.586 -13.651 -0.454 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -4.546 -14.487 -2.743 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -6.182 -13.924 -3.022 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -5.380 -11.556 -2.709 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -3.744 -12.160 -2.538 1.00 0.00 H new ATOM 762 N GLU A 53 -5.943 -11.591 0.071 1.00 0.00 N ATOM 763 CA GLU A 53 -6.662 -10.393 0.500 1.00 0.00 C ATOM 764 C GLU A 53 -6.095 -9.187 -0.252 1.00 0.00 C ATOM 765 O GLU A 53 -4.884 -8.985 -0.287 1.00 0.00 O ATOM 766 CB GLU A 53 -6.533 -10.180 2.018 1.00 0.00 C ATOM 767 CG GLU A 53 -7.130 -11.324 2.850 1.00 0.00 C ATOM 768 CD GLU A 53 -7.081 -11.002 4.358 1.00 0.00 C ATOM 769 OE1 GLU A 53 -7.777 -10.060 4.811 1.00 0.00 O ATOM 770 OE2 GLU A 53 -6.352 -11.696 5.110 1.00 0.00 O ATOM 0 H GLU A 53 -4.947 -11.549 0.289 1.00 0.00 H new ATOM 0 HA GLU A 53 -7.722 -10.513 0.274 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -5.479 -10.068 2.273 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -7.028 -9.247 2.289 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -8.162 -11.498 2.546 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -6.581 -12.245 2.654 1.00 0.00 H new ATOM 777 N ILE A 54 -6.955 -8.372 -0.859 1.00 0.00 N ATOM 778 CA ILE A 54 -6.557 -7.210 -1.646 1.00 0.00 C ATOM 779 C ILE A 54 -7.232 -5.962 -1.086 1.00 0.00 C ATOM 780 O ILE A 54 -8.413 -6.000 -0.745 1.00 0.00 O ATOM 781 CB ILE A 54 -6.897 -7.397 -3.140 1.00 0.00 C ATOM 782 CG1 ILE A 54 -6.338 -8.711 -3.739 1.00 0.00 C ATOM 783 CG2 ILE A 54 -6.319 -6.203 -3.908 1.00 0.00 C ATOM 784 CD1 ILE A 54 -7.339 -9.876 -3.717 1.00 0.00 C ATOM 0 H ILE A 54 -7.965 -8.504 -0.816 1.00 0.00 H new ATOM 0 HA ILE A 54 -5.475 -7.095 -1.575 1.00 0.00 H new ATOM 0 HB ILE A 54 -7.982 -7.455 -3.231 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -6.030 -8.528 -4.768 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -5.445 -9.001 -3.186 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -6.545 -6.309 -4.969 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -6.762 -5.280 -3.533 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -5.238 -6.169 -3.769 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -6.876 -10.762 -4.153 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -7.629 -10.087 -2.688 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -8.223 -9.607 -4.295 1.00 0.00 H new ATOM 796 N VAL A 55 -6.496 -4.854 -1.021 1.00 0.00 N ATOM 797 CA VAL A 55 -6.978 -3.552 -0.557 1.00 0.00 C ATOM 798 C VAL A 55 -6.548 -2.481 -1.551 1.00 0.00 C ATOM 799 O VAL A 55 -5.353 -2.260 -1.757 1.00 0.00 O ATOM 800 CB VAL A 55 -6.406 -3.228 0.833 1.00 0.00 C ATOM 801 CG1 VAL A 55 -6.953 -1.896 1.348 1.00 0.00 C ATOM 802 CG2 VAL A 55 -6.716 -4.336 1.848 1.00 0.00 C ATOM 0 H VAL A 55 -5.515 -4.836 -1.299 1.00 0.00 H new ATOM 0 HA VAL A 55 -8.065 -3.579 -0.485 1.00 0.00 H new ATOM 0 HB VAL A 55 -5.324 -3.156 0.723 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -6.535 -1.687 2.333 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -6.675 -1.098 0.659 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -8.039 -1.952 1.420 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -6.295 -4.069 2.817 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -7.796 -4.453 1.941 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -6.278 -5.274 1.508 1.00 0.00 H new ATOM 812 N THR A 56 -7.511 -1.801 -2.167 1.00 0.00 N ATOM 813 CA THR A 56 -7.250 -0.703 -3.111 1.00 0.00 C ATOM 814 C THR A 56 -7.916 0.602 -2.662 1.00 0.00 C ATOM 815 O THR A 56 -9.077 0.597 -2.250 1.00 0.00 O ATOM 816 CB THR A 56 -7.585 -1.107 -4.556 1.00 0.00 C ATOM 817 OG1 THR A 56 -8.970 -1.321 -4.731 1.00 0.00 O ATOM 818 CG2 THR A 56 -6.871 -2.408 -4.950 1.00 0.00 C ATOM 0 H THR A 56 -8.503 -1.993 -2.029 1.00 0.00 H new ATOM 0 HA THR A 56 -6.179 -0.500 -3.104 1.00 0.00 H new ATOM 0 HB THR A 56 -7.251 -0.281 -5.184 1.00 0.00 H new ATOM 0 HG1 THR A 56 -9.147 -1.574 -5.661 1.00 0.00 H new ATOM 0 HG21 THR A 56 -7.128 -2.667 -5.977 1.00 0.00 H new ATOM 0 HG22 THR A 56 -5.793 -2.270 -4.869 1.00 0.00 H new ATOM 0 HG23 THR A 56 -7.185 -3.211 -4.284 1.00 0.00 H new ATOM 826 N TYR A 57 -7.213 1.734 -2.733 1.00 0.00 N ATOM 827 CA TYR A 57 -7.754 3.054 -2.369 1.00 0.00 C ATOM 828 C TYR A 57 -7.083 4.213 -3.125 1.00 0.00 C ATOM 829 O TYR A 57 -6.253 4.011 -4.015 1.00 0.00 O ATOM 830 CB TYR A 57 -7.729 3.262 -0.846 1.00 0.00 C ATOM 831 CG TYR A 57 -6.398 3.346 -0.120 1.00 0.00 C ATOM 832 CD1 TYR A 57 -5.805 2.172 0.385 1.00 0.00 C ATOM 833 CD2 TYR A 57 -5.830 4.600 0.188 1.00 0.00 C ATOM 834 CE1 TYR A 57 -4.677 2.255 1.223 1.00 0.00 C ATOM 835 CE2 TYR A 57 -4.708 4.687 1.032 1.00 0.00 C ATOM 836 CZ TYR A 57 -4.139 3.513 1.572 1.00 0.00 C ATOM 837 OH TYR A 57 -3.110 3.590 2.460 1.00 0.00 O ATOM 0 H TYR A 57 -6.243 1.765 -3.047 1.00 0.00 H new ATOM 0 HA TYR A 57 -8.796 3.064 -2.689 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -8.274 4.182 -0.634 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -8.294 2.446 -0.396 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -6.216 1.207 0.129 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -6.260 5.500 -0.227 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -4.221 1.352 1.601 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -4.282 5.651 1.267 1.00 0.00 H new ATOM 0 HH TYR A 57 -2.986 4.522 2.737 1.00 0.00 H new ATOM 847 N ASP A 58 -7.412 5.444 -2.731 1.00 0.00 N ATOM 848 CA ASP A 58 -6.901 6.675 -3.327 1.00 0.00 C ATOM 849 C ASP A 58 -6.662 7.704 -2.203 1.00 0.00 C ATOM 850 O ASP A 58 -7.298 7.649 -1.144 1.00 0.00 O ATOM 851 CB ASP A 58 -7.994 7.262 -4.260 1.00 0.00 C ATOM 852 CG ASP A 58 -8.284 6.508 -5.577 1.00 0.00 C ATOM 853 OD1 ASP A 58 -8.543 5.282 -5.568 1.00 0.00 O ATOM 854 OD2 ASP A 58 -8.351 7.175 -6.635 1.00 0.00 O ATOM 0 H ASP A 58 -8.062 5.615 -1.964 1.00 0.00 H new ATOM 0 HA ASP A 58 -5.982 6.468 -3.875 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -8.924 7.321 -3.694 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -7.709 8.283 -4.512 1.00 0.00 H new ATOM 859 N HIS A 59 -5.804 8.690 -2.467 1.00 0.00 N ATOM 860 CA HIS A 59 -5.489 9.801 -1.557 1.00 0.00 C ATOM 861 C HIS A 59 -6.024 11.095 -2.183 1.00 0.00 C ATOM 862 O HIS A 59 -5.945 11.267 -3.398 1.00 0.00 O ATOM 863 CB HIS A 59 -3.976 9.917 -1.301 1.00 0.00 C ATOM 864 CG HIS A 59 -3.284 8.666 -0.797 1.00 0.00 C ATOM 865 ND1 HIS A 59 -2.882 8.418 0.499 1.00 0.00 N ATOM 866 CD2 HIS A 59 -2.727 7.681 -1.576 1.00 0.00 C ATOM 867 CE1 HIS A 59 -2.091 7.329 0.490 1.00 0.00 C ATOM 868 NE2 HIS A 59 -1.965 6.840 -0.753 1.00 0.00 N ATOM 0 H HIS A 59 -5.291 8.743 -3.347 1.00 0.00 H new ATOM 0 HA HIS A 59 -5.960 9.618 -0.591 1.00 0.00 H new ATOM 0 HB2 HIS A 59 -3.494 10.225 -2.229 1.00 0.00 H new ATOM 0 HB3 HIS A 59 -3.811 10.715 -0.577 1.00 0.00 H new ATOM 0 HD2 HIS A 59 -2.855 7.573 -2.643 1.00 0.00 H new ATOM 0 HE1 HIS A 59 -1.621 6.906 1.365 1.00 0.00 H new ATOM 0 HE2 HIS A 59 -1.425 6.024 -1.040 1.00 0.00 H new ATOM 876 N LEU A 60 -6.575 12.008 -1.381 1.00 0.00 N ATOM 877 CA LEU A 60 -7.213 13.245 -1.843 1.00 0.00 C ATOM 878 C LEU A 60 -6.733 14.442 -1.033 1.00 0.00 C ATOM 879 O LEU A 60 -6.704 14.375 0.193 1.00 0.00 O ATOM 880 CB LEU A 60 -8.749 13.170 -1.710 1.00 0.00 C ATOM 881 CG LEU A 60 -9.467 12.271 -2.730 1.00 0.00 C ATOM 882 CD1 LEU A 60 -9.494 10.802 -2.316 1.00 0.00 C ATOM 883 CD2 LEU A 60 -10.930 12.696 -2.858 1.00 0.00 C ATOM 0 H LEU A 60 -6.591 11.906 -0.366 1.00 0.00 H new ATOM 0 HA LEU A 60 -6.938 13.364 -2.891 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -8.991 12.815 -0.708 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -9.152 14.179 -1.797 1.00 0.00 H new ATOM 0 HG LEU A 60 -8.911 12.380 -3.661 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -10.014 10.219 -3.076 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -8.473 10.434 -2.212 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -10.014 10.702 -1.363 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -11.433 12.055 -3.582 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -11.422 12.605 -1.889 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -10.980 13.732 -3.194 1.00 0.00 H new ATOM 895 N CYS A 61 -6.404 15.538 -1.709 1.00 0.00 N ATOM 896 CA CYS A 61 -5.979 16.787 -1.091 1.00 0.00 C ATOM 897 C CYS A 61 -7.082 17.343 -0.172 1.00 0.00 C ATOM 898 O CYS A 61 -8.213 17.563 -0.603 1.00 0.00 O ATOM 899 CB CYS A 61 -5.616 17.729 -2.250 1.00 0.00 C ATOM 900 SG CYS A 61 -4.653 19.175 -1.716 1.00 0.00 S ATOM 0 H CYS A 61 -6.426 15.582 -2.728 1.00 0.00 H new ATOM 0 HA CYS A 61 -5.115 16.656 -0.440 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -5.046 17.175 -2.996 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -6.531 18.068 -2.735 1.00 0.00 H new ATOM 0 HG CYS A 61 -4.821 20.146 -2.564 1.00 0.00 H new ATOM 905 N LYS A 62 -6.795 17.586 1.112 1.00 0.00 N ATOM 906 CA LYS A 62 -7.782 18.154 2.055 1.00 0.00 C ATOM 907 C LYS A 62 -8.226 19.576 1.632 1.00 0.00 C ATOM 908 O LYS A 62 -9.234 20.075 2.134 1.00 0.00 O ATOM 909 CB LYS A 62 -7.186 18.090 3.480 1.00 0.00 C ATOM 910 CG LYS A 62 -7.856 18.907 4.599 1.00 0.00 C ATOM 911 CD LYS A 62 -9.276 18.447 4.937 1.00 0.00 C ATOM 912 CE LYS A 62 -9.890 19.397 5.975 1.00 0.00 C ATOM 913 NZ LYS A 62 -11.258 18.974 6.375 1.00 0.00 N ATOM 0 H LYS A 62 -5.883 17.399 1.530 1.00 0.00 H new ATOM 0 HA LYS A 62 -8.699 17.565 2.042 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -7.183 17.045 3.790 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -6.145 18.407 3.417 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -7.242 18.847 5.497 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -7.885 19.955 4.302 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -9.889 18.432 4.036 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -9.257 17.429 5.327 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -9.250 19.434 6.856 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -9.928 20.406 5.565 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -11.637 19.642 7.077 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -11.876 18.963 5.539 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -11.219 18.021 6.790 1.00 0.00 H new ATOM 927 N ASN A 63 -7.518 20.219 0.697 1.00 0.00 N ATOM 928 CA ASN A 63 -7.820 21.559 0.211 1.00 0.00 C ATOM 929 C ASN A 63 -8.675 21.519 -1.068 1.00 0.00 C ATOM 930 O ASN A 63 -9.846 21.911 -1.027 1.00 0.00 O ATOM 931 CB ASN A 63 -6.506 22.320 0.006 1.00 0.00 C ATOM 932 CG ASN A 63 -6.760 23.713 -0.539 1.00 0.00 C ATOM 933 OD1 ASN A 63 -7.455 24.520 0.065 1.00 0.00 O ATOM 934 ND2 ASN A 63 -6.213 24.050 -1.677 1.00 0.00 N ATOM 0 H ASN A 63 -6.699 19.807 0.249 1.00 0.00 H new ATOM 0 HA ASN A 63 -8.419 22.087 0.953 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -5.971 22.389 0.953 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -5.866 21.768 -0.682 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -6.366 24.983 -2.060 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -5.633 23.380 -2.183 1.00 0.00 H new ATOM 941 N CYS A 64 -8.117 21.044 -2.188 1.00 0.00 N ATOM 942 CA CYS A 64 -8.795 20.989 -3.485 1.00 0.00 C ATOM 943 C CYS A 64 -9.525 19.659 -3.785 1.00 0.00 C ATOM 944 O CYS A 64 -10.241 19.560 -4.789 1.00 0.00 O ATOM 945 CB CYS A 64 -7.790 21.382 -4.590 1.00 0.00 C ATOM 946 SG CYS A 64 -6.282 20.347 -4.655 1.00 0.00 S ATOM 0 H CYS A 64 -7.164 20.681 -2.217 1.00 0.00 H new ATOM 0 HA CYS A 64 -9.611 21.711 -3.455 1.00 0.00 H new ATOM 0 HB2 CYS A 64 -8.293 21.328 -5.556 1.00 0.00 H new ATOM 0 HB3 CYS A 64 -7.495 22.421 -4.441 1.00 0.00 H new ATOM 0 HG CYS A 64 -5.262 21.040 -4.243 1.00 0.00 H new ATOM 951 N HIS A 65 -9.381 18.638 -2.926 1.00 0.00 N ATOM 952 CA HIS A 65 -9.959 17.281 -3.068 1.00 0.00 C ATOM 953 C HIS A 65 -9.645 16.577 -4.394 1.00 0.00 C ATOM 954 O HIS A 65 -10.289 15.596 -4.770 1.00 0.00 O ATOM 955 CB HIS A 65 -11.425 17.239 -2.615 1.00 0.00 C ATOM 956 CG HIS A 65 -11.568 17.575 -1.149 1.00 0.00 C ATOM 957 ND1 HIS A 65 -11.881 18.817 -0.623 1.00 0.00 N ATOM 958 CD2 HIS A 65 -11.338 16.722 -0.101 1.00 0.00 C ATOM 959 CE1 HIS A 65 -11.855 18.719 0.721 1.00 0.00 C ATOM 960 NE2 HIS A 65 -11.539 17.451 1.060 1.00 0.00 N ATOM 0 H HIS A 65 -8.833 18.735 -2.071 1.00 0.00 H new ATOM 0 HA HIS A 65 -9.424 16.643 -2.365 1.00 0.00 H new ATOM 0 HB2 HIS A 65 -12.009 17.943 -3.208 1.00 0.00 H new ATOM 0 HB3 HIS A 65 -11.835 16.247 -2.802 1.00 0.00 H new ATOM 0 HD2 HIS A 65 -11.055 15.682 -0.167 1.00 0.00 H new ATOM 0 HE1 HIS A 65 -12.054 19.523 1.414 1.00 0.00 H new ATOM 0 HE2 HIS A 65 -11.461 17.090 2.011 1.00 0.00 H new ATOM 969 N HIS A 66 -8.591 17.029 -5.063 1.00 0.00 N ATOM 970 CA HIS A 66 -7.999 16.377 -6.223 1.00 0.00 C ATOM 971 C HIS A 66 -7.359 15.062 -5.741 1.00 0.00 C ATOM 972 O HIS A 66 -6.842 14.999 -4.619 1.00 0.00 O ATOM 973 CB HIS A 66 -6.957 17.326 -6.804 1.00 0.00 C ATOM 974 CG HIS A 66 -5.634 16.713 -7.128 1.00 0.00 C ATOM 975 ND1 HIS A 66 -5.266 16.119 -8.315 1.00 0.00 N ATOM 976 CD2 HIS A 66 -4.504 16.914 -6.385 1.00 0.00 C ATOM 977 CE1 HIS A 66 -3.924 16.073 -8.330 1.00 0.00 C ATOM 978 NE2 HIS A 66 -3.425 16.593 -7.194 1.00 0.00 N ATOM 0 H HIS A 66 -8.109 17.889 -4.803 1.00 0.00 H new ATOM 0 HA HIS A 66 -8.733 16.148 -6.995 1.00 0.00 H new ATOM 0 HB2 HIS A 66 -7.363 17.771 -7.712 1.00 0.00 H new ATOM 0 HB3 HIS A 66 -6.797 18.139 -6.095 1.00 0.00 H new ATOM 0 HD1 HIS A 66 -5.893 15.779 -9.044 1.00 0.00 H new ATOM 0 HD2 HIS A 66 -4.460 17.258 -5.362 1.00 0.00 H new ATOM 0 HE1 HIS A 66 -3.330 15.675 -9.139 1.00 0.00 H new ATOM 986 N VAL A 67 -7.364 14.015 -6.570 1.00 0.00 N ATOM 987 CA VAL A 67 -6.730 12.739 -6.217 1.00 0.00 C ATOM 988 C VAL A 67 -5.208 12.861 -6.343 1.00 0.00 C ATOM 989 O VAL A 67 -4.659 12.859 -7.448 1.00 0.00 O ATOM 990 CB VAL A 67 -7.286 11.577 -7.056 1.00 0.00 C ATOM 991 CG1 VAL A 67 -6.594 10.267 -6.684 1.00 0.00 C ATOM 992 CG2 VAL A 67 -8.792 11.390 -6.816 1.00 0.00 C ATOM 0 H VAL A 67 -7.800 14.024 -7.492 1.00 0.00 H new ATOM 0 HA VAL A 67 -6.969 12.508 -5.179 1.00 0.00 H new ATOM 0 HB VAL A 67 -7.103 11.824 -8.102 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -7.001 9.456 -7.288 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -5.524 10.356 -6.869 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -6.763 10.053 -5.629 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -9.157 10.561 -7.423 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -8.968 11.174 -5.762 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -9.321 12.302 -7.092 1.00 0.00 H new ATOM 1002 N ILE A 68 -4.537 12.956 -5.193 1.00 0.00 N ATOM 1003 CA ILE A 68 -3.079 13.072 -5.059 1.00 0.00 C ATOM 1004 C ILE A 68 -2.367 11.849 -5.653 1.00 0.00 C ATOM 1005 O ILE A 68 -1.376 11.975 -6.376 1.00 0.00 O ATOM 1006 CB ILE A 68 -2.726 13.253 -3.564 1.00 0.00 C ATOM 1007 CG1 ILE A 68 -3.142 14.687 -3.170 1.00 0.00 C ATOM 1008 CG2 ILE A 68 -1.239 12.980 -3.241 1.00 0.00 C ATOM 1009 CD1 ILE A 68 -2.976 14.996 -1.687 1.00 0.00 C ATOM 0 H ILE A 68 -5.013 12.954 -4.291 1.00 0.00 H new ATOM 0 HA ILE A 68 -2.735 13.942 -5.619 1.00 0.00 H new ATOM 0 HB ILE A 68 -3.268 12.511 -2.977 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -2.550 15.397 -3.747 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -4.185 14.841 -3.448 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -1.065 13.126 -2.175 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -0.990 11.954 -3.512 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -0.611 13.667 -3.808 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -3.289 16.022 -1.492 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -3.590 14.311 -1.102 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -1.930 14.876 -1.405 1.00 0.00 H new ATOM 1021 N ALA A 69 -2.868 10.651 -5.325 1.00 0.00 N ATOM 1022 CA ALA A 69 -2.280 9.371 -5.713 1.00 0.00 C ATOM 1023 C ALA A 69 -3.267 8.195 -5.560 1.00 0.00 C ATOM 1024 O ALA A 69 -4.303 8.320 -4.900 1.00 0.00 O ATOM 1025 CB ALA A 69 -1.055 9.170 -4.802 1.00 0.00 C ATOM 0 H ALA A 69 -3.716 10.547 -4.768 1.00 0.00 H new ATOM 0 HA ALA A 69 -2.008 9.389 -6.768 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -0.571 8.224 -5.046 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -0.351 9.988 -4.954 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -1.375 9.155 -3.760 1.00 0.00 H new ATOM 1031 N ARG A 70 -2.909 7.033 -6.122 1.00 0.00 N ATOM 1032 CA ARG A 70 -3.640 5.758 -6.007 1.00 0.00 C ATOM 1033 C ARG A 70 -2.760 4.740 -5.285 1.00 0.00 C ATOM 1034 O ARG A 70 -1.563 4.669 -5.564 1.00 0.00 O ATOM 1035 CB ARG A 70 -4.018 5.187 -7.381 1.00 0.00 C ATOM 1036 CG ARG A 70 -5.370 5.668 -7.909 1.00 0.00 C ATOM 1037 CD ARG A 70 -5.336 7.069 -8.524 1.00 0.00 C ATOM 1038 NE ARG A 70 -6.706 7.491 -8.846 1.00 0.00 N ATOM 1039 CZ ARG A 70 -7.170 8.095 -9.920 1.00 0.00 C ATOM 1040 NH1 ARG A 70 -6.417 8.403 -10.939 1.00 0.00 N ATOM 1041 NH2 ARG A 70 -8.431 8.407 -9.973 1.00 0.00 N ATOM 0 H ARG A 70 -2.068 6.949 -6.693 1.00 0.00 H new ATOM 0 HA ARG A 70 -4.558 5.951 -5.451 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -3.244 5.456 -8.099 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -4.031 4.099 -7.319 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -5.728 4.962 -8.659 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -6.092 5.658 -7.092 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -4.880 7.773 -7.828 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -4.722 7.069 -9.425 1.00 0.00 H new ATOM 0 HE ARG A 70 -7.402 7.285 -8.130 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -5.423 8.176 -10.926 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -6.822 8.871 -11.750 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -9.045 8.184 -9.190 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -8.806 8.875 -10.798 1.00 0.00 H new ATOM 1055 N HIS A 71 -3.385 3.947 -4.415 1.00 0.00 N ATOM 1056 CA HIS A 71 -2.760 2.932 -3.561 1.00 0.00 C ATOM 1057 C HIS A 71 -3.341 1.539 -3.783 1.00 0.00 C ATOM 1058 O HIS A 71 -4.556 1.357 -3.890 1.00 0.00 O ATOM 1059 CB HIS A 71 -3.027 3.306 -2.095 1.00 0.00 C ATOM 1060 CG HIS A 71 -2.108 2.654 -1.082 1.00 0.00 C ATOM 1061 ND1 HIS A 71 -1.127 3.359 -0.384 1.00 0.00 N ATOM 1062 CD2 HIS A 71 -2.067 1.334 -0.689 1.00 0.00 C ATOM 1063 CE1 HIS A 71 -0.515 2.464 0.405 1.00 0.00 C ATOM 1064 NE2 HIS A 71 -1.075 1.249 0.265 1.00 0.00 N ATOM 0 H HIS A 71 -4.395 3.996 -4.278 1.00 0.00 H new ATOM 0 HA HIS A 71 -1.698 2.908 -3.806 1.00 0.00 H new ATOM 0 HB2 HIS A 71 -2.944 4.388 -1.993 1.00 0.00 H new ATOM 0 HB3 HIS A 71 -4.056 3.041 -1.851 1.00 0.00 H new ATOM 0 HD2 HIS A 71 -2.687 0.529 -1.054 1.00 0.00 H new ATOM 0 HE1 HIS A 71 0.313 2.688 1.062 1.00 0.00 H new ATOM 0 HE2 HIS A 71 -0.811 0.408 0.778 1.00 0.00 H new ATOM 1072 N GLU A 72 -2.478 0.533 -3.783 1.00 0.00 N ATOM 1073 CA GLU A 72 -2.846 -0.871 -3.865 1.00 0.00 C ATOM 1074 C GLU A 72 -1.945 -1.676 -2.924 1.00 0.00 C ATOM 1075 O GLU A 72 -0.724 -1.530 -2.924 1.00 0.00 O ATOM 1076 CB GLU A 72 -2.737 -1.350 -5.324 1.00 0.00 C ATOM 1077 CG GLU A 72 -2.804 -2.877 -5.440 1.00 0.00 C ATOM 1078 CD GLU A 72 -2.993 -3.315 -6.905 1.00 0.00 C ATOM 1079 OE1 GLU A 72 -4.154 -3.403 -7.372 1.00 0.00 O ATOM 1080 OE2 GLU A 72 -1.982 -3.573 -7.602 1.00 0.00 O ATOM 0 H GLU A 72 -1.470 0.678 -3.724 1.00 0.00 H new ATOM 0 HA GLU A 72 -3.880 -1.017 -3.551 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -3.542 -0.907 -5.911 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -1.799 -0.996 -5.752 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -1.889 -3.315 -5.041 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -3.628 -3.255 -4.835 1.00 0.00 H new ATOM 1087 N TYR A 73 -2.550 -2.561 -2.141 1.00 0.00 N ATOM 1088 CA TYR A 73 -1.877 -3.513 -1.268 1.00 0.00 C ATOM 1089 C TYR A 73 -2.533 -4.868 -1.514 1.00 0.00 C ATOM 1090 O TYR A 73 -3.754 -4.995 -1.428 1.00 0.00 O ATOM 1091 CB TYR A 73 -1.977 -3.093 0.204 1.00 0.00 C ATOM 1092 CG TYR A 73 -1.768 -4.226 1.202 1.00 0.00 C ATOM 1093 CD1 TYR A 73 -0.519 -4.868 1.336 1.00 0.00 C ATOM 1094 CD2 TYR A 73 -2.856 -4.677 1.971 1.00 0.00 C ATOM 1095 CE1 TYR A 73 -0.351 -5.927 2.248 1.00 0.00 C ATOM 1096 CE2 TYR A 73 -2.694 -5.726 2.893 1.00 0.00 C ATOM 1097 CZ TYR A 73 -1.433 -6.337 3.056 1.00 0.00 C ATOM 1098 OH TYR A 73 -1.261 -7.311 3.989 1.00 0.00 O ATOM 0 H TYR A 73 -3.566 -2.637 -2.096 1.00 0.00 H new ATOM 0 HA TYR A 73 -0.811 -3.557 -1.490 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -1.238 -2.315 0.397 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -2.958 -2.651 0.376 1.00 0.00 H new ATOM 0 HD1 TYR A 73 0.316 -4.544 0.733 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -3.824 -4.213 1.852 1.00 0.00 H new ATOM 0 HE1 TYR A 73 0.604 -6.425 2.329 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -3.537 -6.065 3.478 1.00 0.00 H new ATOM 0 HH TYR A 73 -2.108 -7.469 4.457 1.00 0.00 H new ATOM 1108 N THR A 74 -1.742 -5.882 -1.836 1.00 0.00 N ATOM 1109 CA THR A 74 -2.248 -7.236 -2.091 1.00 0.00 C ATOM 1110 C THR A 74 -1.448 -8.224 -1.238 1.00 0.00 C ATOM 1111 O THR A 74 -0.225 -8.129 -1.113 1.00 0.00 O ATOM 1112 CB THR A 74 -2.237 -7.611 -3.592 1.00 0.00 C ATOM 1113 OG1 THR A 74 -1.041 -8.222 -4.020 1.00 0.00 O ATOM 1114 CG2 THR A 74 -2.456 -6.424 -4.548 1.00 0.00 C ATOM 0 H THR A 74 -0.730 -5.796 -1.929 1.00 0.00 H new ATOM 0 HA THR A 74 -3.299 -7.278 -1.804 1.00 0.00 H new ATOM 0 HB THR A 74 -3.075 -8.306 -3.647 1.00 0.00 H new ATOM 0 HG1 THR A 74 -0.293 -7.602 -3.892 1.00 0.00 H new ATOM 0 HG21 THR A 74 -2.433 -6.778 -5.579 1.00 0.00 H new ATOM 0 HG22 THR A 74 -3.423 -5.966 -4.343 1.00 0.00 H new ATOM 0 HG23 THR A 74 -1.667 -5.687 -4.400 1.00 0.00 H new ATOM 1122 N PHE A 75 -2.139 -9.164 -0.605 1.00 0.00 N ATOM 1123 CA PHE A 75 -1.544 -10.169 0.277 1.00 0.00 C ATOM 1124 C PHE A 75 -2.014 -11.578 -0.126 1.00 0.00 C ATOM 1125 O PHE A 75 -3.213 -11.801 -0.218 1.00 0.00 O ATOM 1126 CB PHE A 75 -1.919 -9.846 1.726 1.00 0.00 C ATOM 1127 CG PHE A 75 -1.704 -11.015 2.656 1.00 0.00 C ATOM 1128 CD1 PHE A 75 -0.400 -11.316 3.064 1.00 0.00 C ATOM 1129 CD2 PHE A 75 -2.769 -11.862 3.022 1.00 0.00 C ATOM 1130 CE1 PHE A 75 -0.152 -12.450 3.841 1.00 0.00 C ATOM 1131 CE2 PHE A 75 -2.516 -13.016 3.783 1.00 0.00 C ATOM 1132 CZ PHE A 75 -1.201 -13.315 4.184 1.00 0.00 C ATOM 0 H PHE A 75 -3.151 -9.254 -0.690 1.00 0.00 H new ATOM 0 HA PHE A 75 -0.458 -10.149 0.184 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -1.326 -8.999 2.071 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -2.965 -9.541 1.767 1.00 0.00 H new ATOM 0 HD1 PHE A 75 0.417 -10.670 2.778 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -3.778 -11.625 2.718 1.00 0.00 H new ATOM 0 HE1 PHE A 75 0.852 -12.661 4.179 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -3.329 -13.671 4.059 1.00 0.00 H new ATOM 0 HZ PHE A 75 -1.000 -14.209 4.755 1.00 0.00 H new ATOM 1142 N SER A 76 -1.105 -12.528 -0.340 1.00 0.00 N ATOM 1143 CA SER A 76 -1.371 -13.910 -0.798 1.00 0.00 C ATOM 1144 C SER A 76 -0.718 -14.984 0.073 1.00 0.00 C ATOM 1145 O SER A 76 0.401 -14.813 0.531 1.00 0.00 O ATOM 1146 CB SER A 76 -0.852 -14.105 -2.232 1.00 0.00 C ATOM 1147 OG SER A 76 -1.837 -13.792 -3.197 1.00 0.00 O ATOM 0 H SER A 76 -0.110 -12.356 -0.194 1.00 0.00 H new ATOM 0 HA SER A 76 -2.453 -14.030 -0.737 1.00 0.00 H new ATOM 0 HB2 SER A 76 0.024 -13.475 -2.390 1.00 0.00 H new ATOM 0 HB3 SER A 76 -0.530 -15.138 -2.364 1.00 0.00 H new ATOM 0 HG SER A 76 -1.469 -13.927 -4.095 1.00 0.00 H new ATOM 1153 N ILE A 77 -1.386 -16.118 0.290 1.00 0.00 N ATOM 1154 CA ILE A 77 -0.810 -17.267 1.028 1.00 0.00 C ATOM 1155 C ILE A 77 -0.544 -18.432 0.063 1.00 0.00 C ATOM 1156 O ILE A 77 -1.470 -18.913 -0.597 1.00 0.00 O ATOM 1157 CB ILE A 77 -1.693 -17.697 2.220 1.00 0.00 C ATOM 1158 CG1 ILE A 77 -1.958 -16.476 3.123 1.00 0.00 C ATOM 1159 CG2 ILE A 77 -1.024 -18.872 2.962 1.00 0.00 C ATOM 1160 CD1 ILE A 77 -2.418 -16.784 4.552 1.00 0.00 C ATOM 0 H ILE A 77 -2.340 -16.276 -0.036 1.00 0.00 H new ATOM 0 HA ILE A 77 0.141 -16.951 1.456 1.00 0.00 H new ATOM 0 HB ILE A 77 -2.663 -18.056 1.877 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -1.045 -15.884 3.176 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -2.714 -15.853 2.645 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -1.648 -19.174 3.803 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -0.904 -19.713 2.279 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -0.046 -18.561 3.330 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -2.573 -15.851 5.093 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -3.352 -17.345 4.521 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -1.656 -17.376 5.060 1.00 0.00 H new ATOM 1172 N MET A 78 0.714 -18.885 -0.013 1.00 0.00 N ATOM 1173 CA MET A 78 1.152 -20.014 -0.846 1.00 0.00 C ATOM 1174 C MET A 78 1.763 -21.178 -0.047 1.00 0.00 C ATOM 1175 O MET A 78 2.836 -21.028 0.528 1.00 0.00 O ATOM 1176 CB MET A 78 2.094 -19.541 -1.970 1.00 0.00 C ATOM 1177 CG MET A 78 3.246 -18.628 -1.513 1.00 0.00 C ATOM 1178 SD MET A 78 4.678 -18.526 -2.630 1.00 0.00 S ATOM 1179 CE MET A 78 3.875 -18.327 -4.242 1.00 0.00 C ATOM 0 H MET A 78 1.477 -18.465 0.518 1.00 0.00 H new ATOM 0 HA MET A 78 0.248 -20.419 -1.300 1.00 0.00 H new ATOM 0 HB2 MET A 78 2.518 -20.417 -2.461 1.00 0.00 H new ATOM 0 HB3 MET A 78 1.505 -19.010 -2.718 1.00 0.00 H new ATOM 0 HG2 MET A 78 2.851 -17.622 -1.370 1.00 0.00 H new ATOM 0 HG3 MET A 78 3.594 -18.975 -0.540 1.00 0.00 H new ATOM 0 HE1 MET A 78 4.628 -18.110 -4.999 1.00 0.00 H new ATOM 0 HE2 MET A 78 3.352 -19.247 -4.504 1.00 0.00 H new ATOM 0 HE3 MET A 78 3.161 -17.505 -4.194 1.00 0.00 H new ATOM 1189 N ASP A 79 1.116 -22.348 -0.073 1.00 0.00 N ATOM 1190 CA ASP A 79 1.510 -23.631 0.551 1.00 0.00 C ATOM 1191 C ASP A 79 1.849 -23.595 2.062 1.00 0.00 C ATOM 1192 O ASP A 79 1.074 -24.086 2.885 1.00 0.00 O ATOM 1193 CB ASP A 79 2.654 -24.246 -0.277 1.00 0.00 C ATOM 1194 CG ASP A 79 2.943 -25.721 0.060 1.00 0.00 C ATOM 1195 OD1 ASP A 79 2.003 -26.473 0.415 1.00 0.00 O ATOM 1196 OD2 ASP A 79 4.112 -26.152 -0.084 1.00 0.00 O ATOM 0 H ASP A 79 0.230 -22.437 -0.570 1.00 0.00 H new ATOM 0 HA ASP A 79 0.620 -24.259 0.530 1.00 0.00 H new ATOM 0 HB2 ASP A 79 2.407 -24.167 -1.336 1.00 0.00 H new ATOM 0 HB3 ASP A 79 3.560 -23.662 -0.117 1.00 0.00 H new ATOM 1201 N GLU A 80 2.978 -22.988 2.438 1.00 0.00 N ATOM 1202 CA GLU A 80 3.465 -22.812 3.815 1.00 0.00 C ATOM 1203 C GLU A 80 4.025 -21.402 4.050 1.00 0.00 C ATOM 1204 O GLU A 80 4.663 -21.164 5.076 1.00 0.00 O ATOM 1205 CB GLU A 80 4.594 -23.805 4.156 1.00 0.00 C ATOM 1206 CG GLU A 80 4.365 -25.244 3.696 1.00 0.00 C ATOM 1207 CD GLU A 80 5.403 -26.201 4.315 1.00 0.00 C ATOM 1208 OE1 GLU A 80 6.568 -26.234 3.850 1.00 0.00 O ATOM 1209 OE2 GLU A 80 5.057 -26.942 5.269 1.00 0.00 O ATOM 0 H GLU A 80 3.615 -22.582 1.753 1.00 0.00 H new ATOM 0 HA GLU A 80 2.597 -22.987 4.451 1.00 0.00 H new ATOM 0 HB2 GLU A 80 5.520 -23.442 3.710 1.00 0.00 H new ATOM 0 HB3 GLU A 80 4.739 -23.806 5.236 1.00 0.00 H new ATOM 0 HG2 GLU A 80 3.361 -25.562 3.976 1.00 0.00 H new ATOM 0 HG3 GLU A 80 4.424 -25.294 2.609 1.00 0.00 H new ATOM 1216 N PHE A 81 3.860 -20.464 3.114 1.00 0.00 N ATOM 1217 CA PHE A 81 4.447 -19.128 3.243 1.00 0.00 C ATOM 1218 C PHE A 81 3.364 -18.073 2.980 1.00 0.00 C ATOM 1219 O PHE A 81 2.276 -18.360 2.472 1.00 0.00 O ATOM 1220 CB PHE A 81 5.563 -18.904 2.199 1.00 0.00 C ATOM 1221 CG PHE A 81 6.344 -20.116 1.730 1.00 0.00 C ATOM 1222 CD1 PHE A 81 6.955 -21.026 2.612 1.00 0.00 C ATOM 1223 CD2 PHE A 81 6.361 -20.375 0.349 1.00 0.00 C ATOM 1224 CE1 PHE A 81 7.613 -22.163 2.104 1.00 0.00 C ATOM 1225 CE2 PHE A 81 7.003 -21.512 -0.162 1.00 0.00 C ATOM 1226 CZ PHE A 81 7.640 -22.405 0.718 1.00 0.00 C ATOM 0 H PHE A 81 3.324 -20.605 2.258 1.00 0.00 H new ATOM 0 HA PHE A 81 4.860 -19.043 4.248 1.00 0.00 H new ATOM 0 HB2 PHE A 81 5.114 -18.435 1.323 1.00 0.00 H new ATOM 0 HB3 PHE A 81 6.272 -18.188 2.615 1.00 0.00 H new ATOM 0 HD1 PHE A 81 6.920 -20.853 3.677 1.00 0.00 H new ATOM 0 HD2 PHE A 81 5.873 -19.689 -0.328 1.00 0.00 H new ATOM 0 HE1 PHE A 81 8.098 -22.851 2.780 1.00 0.00 H new ATOM 0 HE2 PHE A 81 7.008 -21.701 -1.225 1.00 0.00 H new ATOM 0 HZ PHE A 81 8.149 -23.275 0.331 1.00 0.00 H new ATOM 1236 N GLN A 82 3.702 -16.822 3.258 1.00 0.00 N ATOM 1237 CA GLN A 82 2.856 -15.655 3.033 1.00 0.00 C ATOM 1238 C GLN A 82 3.590 -14.666 2.143 1.00 0.00 C ATOM 1239 O GLN A 82 4.786 -14.477 2.305 1.00 0.00 O ATOM 1240 CB GLN A 82 2.504 -14.959 4.351 1.00 0.00 C ATOM 1241 CG GLN A 82 2.418 -15.829 5.591 1.00 0.00 C ATOM 1242 CD GLN A 82 1.883 -15.038 6.776 1.00 0.00 C ATOM 1243 OE1 GLN A 82 2.386 -13.987 7.150 1.00 0.00 O ATOM 1244 NE2 GLN A 82 0.826 -15.507 7.391 1.00 0.00 N ATOM 0 H GLN A 82 4.607 -16.581 3.662 1.00 0.00 H new ATOM 0 HA GLN A 82 1.935 -15.993 2.558 1.00 0.00 H new ATOM 0 HB2 GLN A 82 3.248 -14.183 4.533 1.00 0.00 H new ATOM 0 HB3 GLN A 82 1.545 -14.457 4.223 1.00 0.00 H new ATOM 0 HG2 GLN A 82 1.769 -16.683 5.396 1.00 0.00 H new ATOM 0 HG3 GLN A 82 3.404 -16.226 5.830 1.00 0.00 H new ATOM 0 HE21 GLN A 82 0.403 -16.383 7.083 1.00 0.00 H new ATOM 0 HE22 GLN A 82 0.426 -14.997 8.178 1.00 0.00 H new ATOM 1253 N GLU A 83 2.867 -13.994 1.262 1.00 0.00 N ATOM 1254 CA GLU A 83 3.355 -13.008 0.303 1.00 0.00 C ATOM 1255 C GLU A 83 2.644 -11.683 0.539 1.00 0.00 C ATOM 1256 O GLU A 83 1.417 -11.615 0.567 1.00 0.00 O ATOM 1257 CB GLU A 83 3.052 -13.438 -1.147 1.00 0.00 C ATOM 1258 CG GLU A 83 4.127 -14.318 -1.781 1.00 0.00 C ATOM 1259 CD GLU A 83 3.811 -14.607 -3.266 1.00 0.00 C ATOM 1260 OE1 GLU A 83 2.662 -14.990 -3.592 1.00 0.00 O ATOM 1261 OE2 GLU A 83 4.715 -14.443 -4.122 1.00 0.00 O ATOM 0 H GLU A 83 1.859 -14.129 1.191 1.00 0.00 H new ATOM 0 HA GLU A 83 4.432 -12.917 0.441 1.00 0.00 H new ATOM 0 HB2 GLU A 83 2.104 -13.975 -1.163 1.00 0.00 H new ATOM 0 HB3 GLU A 83 2.923 -12.545 -1.759 1.00 0.00 H new ATOM 0 HG2 GLU A 83 5.096 -13.826 -1.702 1.00 0.00 H new ATOM 0 HG3 GLU A 83 4.201 -15.257 -1.233 1.00 0.00 H new ATOM 1268 N TYR A 84 3.426 -10.622 0.653 1.00 0.00 N ATOM 1269 CA TYR A 84 2.956 -9.256 0.849 1.00 0.00 C ATOM 1270 C TYR A 84 3.457 -8.390 -0.290 1.00 0.00 C ATOM 1271 O TYR A 84 4.651 -8.413 -0.586 1.00 0.00 O ATOM 1272 CB TYR A 84 3.527 -8.702 2.152 1.00 0.00 C ATOM 1273 CG TYR A 84 2.988 -9.381 3.395 1.00 0.00 C ATOM 1274 CD1 TYR A 84 3.591 -10.558 3.884 1.00 0.00 C ATOM 1275 CD2 TYR A 84 1.837 -8.867 4.022 1.00 0.00 C ATOM 1276 CE1 TYR A 84 3.063 -11.208 5.017 1.00 0.00 C ATOM 1277 CE2 TYR A 84 1.326 -9.493 5.176 1.00 0.00 C ATOM 1278 CZ TYR A 84 1.944 -10.660 5.683 1.00 0.00 C ATOM 1279 OH TYR A 84 1.438 -11.279 6.786 1.00 0.00 O ATOM 0 H TYR A 84 4.443 -10.688 0.610 1.00 0.00 H new ATOM 0 HA TYR A 84 1.867 -9.253 0.883 1.00 0.00 H new ATOM 0 HB2 TYR A 84 4.612 -8.805 2.135 1.00 0.00 H new ATOM 0 HB3 TYR A 84 3.309 -7.636 2.209 1.00 0.00 H new ATOM 0 HD1 TYR A 84 4.461 -10.963 3.388 1.00 0.00 H new ATOM 0 HD2 TYR A 84 1.346 -7.994 3.619 1.00 0.00 H new ATOM 0 HE1 TYR A 84 3.512 -12.122 5.375 1.00 0.00 H new ATOM 0 HE2 TYR A 84 0.461 -9.081 5.674 1.00 0.00 H new ATOM 0 HH TYR A 84 1.799 -12.188 6.846 1.00 0.00 H new ATOM 1289 N THR A 85 2.576 -7.625 -0.926 1.00 0.00 N ATOM 1290 CA THR A 85 2.959 -6.710 -2.002 1.00 0.00 C ATOM 1291 C THR A 85 2.177 -5.401 -1.863 1.00 0.00 C ATOM 1292 O THR A 85 1.003 -5.378 -1.499 1.00 0.00 O ATOM 1293 CB THR A 85 2.799 -7.315 -3.417 1.00 0.00 C ATOM 1294 OG1 THR A 85 1.519 -7.072 -3.962 1.00 0.00 O ATOM 1295 CG2 THR A 85 2.976 -8.841 -3.488 1.00 0.00 C ATOM 0 H THR A 85 1.579 -7.620 -0.713 1.00 0.00 H new ATOM 0 HA THR A 85 4.026 -6.514 -1.894 1.00 0.00 H new ATOM 0 HB THR A 85 3.594 -6.819 -3.974 1.00 0.00 H new ATOM 0 HG1 THR A 85 1.463 -7.470 -4.856 1.00 0.00 H new ATOM 0 HG21 THR A 85 2.846 -9.175 -4.518 1.00 0.00 H new ATOM 0 HG22 THR A 85 3.975 -9.108 -3.143 1.00 0.00 H new ATOM 0 HG23 THR A 85 2.232 -9.323 -2.854 1.00 0.00 H new ATOM 1303 N MET A 86 2.826 -4.282 -2.143 1.00 0.00 N ATOM 1304 CA MET A 86 2.259 -2.937 -2.118 1.00 0.00 C ATOM 1305 C MET A 86 2.762 -2.151 -3.328 1.00 0.00 C ATOM 1306 O MET A 86 3.895 -2.326 -3.778 1.00 0.00 O ATOM 1307 CB MET A 86 2.619 -2.263 -0.792 1.00 0.00 C ATOM 1308 CG MET A 86 2.163 -0.805 -0.708 1.00 0.00 C ATOM 1309 SD MET A 86 2.631 0.041 0.825 1.00 0.00 S ATOM 1310 CE MET A 86 4.332 0.518 0.401 1.00 0.00 C ATOM 0 H MET A 86 3.811 -4.284 -2.407 1.00 0.00 H new ATOM 0 HA MET A 86 1.172 -2.975 -2.184 1.00 0.00 H new ATOM 0 HB2 MET A 86 2.169 -2.825 0.026 1.00 0.00 H new ATOM 0 HB3 MET A 86 3.699 -2.307 -0.652 1.00 0.00 H new ATOM 0 HG2 MET A 86 2.581 -0.257 -1.553 1.00 0.00 H new ATOM 0 HG3 MET A 86 1.078 -0.770 -0.811 1.00 0.00 H new ATOM 0 HE1 MET A 86 4.880 0.758 1.312 1.00 0.00 H new ATOM 0 HE2 MET A 86 4.824 -0.308 -0.112 1.00 0.00 H new ATOM 0 HE3 MET A 86 4.313 1.391 -0.252 1.00 0.00 H new ATOM 1320 N LEU A 87 1.894 -1.291 -3.846 1.00 0.00 N ATOM 1321 CA LEU A 87 2.119 -0.429 -5.003 1.00 0.00 C ATOM 1322 C LEU A 87 1.265 0.855 -4.891 1.00 0.00 C ATOM 1323 O LEU A 87 0.053 0.834 -5.108 1.00 0.00 O ATOM 1324 CB LEU A 87 1.734 -1.225 -6.264 1.00 0.00 C ATOM 1325 CG LEU A 87 2.113 -0.520 -7.566 1.00 0.00 C ATOM 1326 CD1 LEU A 87 3.543 -0.861 -7.959 1.00 0.00 C ATOM 1327 CD2 LEU A 87 1.187 -0.906 -8.717 1.00 0.00 C ATOM 0 H LEU A 87 0.962 -1.168 -3.449 1.00 0.00 H new ATOM 0 HA LEU A 87 3.165 -0.126 -5.053 1.00 0.00 H new ATOM 0 HB2 LEU A 87 2.221 -2.200 -6.232 1.00 0.00 H new ATOM 0 HB3 LEU A 87 0.659 -1.405 -6.257 1.00 0.00 H new ATOM 0 HG LEU A 87 2.016 0.550 -7.383 1.00 0.00 H new ATOM 0 HD11 LEU A 87 3.796 -0.351 -8.888 1.00 0.00 H new ATOM 0 HD12 LEU A 87 4.224 -0.539 -7.171 1.00 0.00 H new ATOM 0 HD13 LEU A 87 3.635 -1.938 -8.100 1.00 0.00 H new ATOM 0 HD21 LEU A 87 1.493 -0.382 -9.622 1.00 0.00 H new ATOM 0 HD22 LEU A 87 1.243 -1.982 -8.884 1.00 0.00 H new ATOM 0 HD23 LEU A 87 0.162 -0.631 -8.468 1.00 0.00 H new ATOM 1339 N CYS A 88 1.906 1.973 -4.574 1.00 0.00 N ATOM 1340 CA CYS A 88 1.314 3.300 -4.446 1.00 0.00 C ATOM 1341 C CYS A 88 2.279 4.361 -4.994 1.00 0.00 C ATOM 1342 O CYS A 88 3.484 4.321 -4.713 1.00 0.00 O ATOM 1343 CB CYS A 88 1.015 3.579 -2.968 1.00 0.00 C ATOM 1344 SG CYS A 88 0.393 5.281 -2.729 1.00 0.00 S ATOM 0 H CYS A 88 2.909 1.979 -4.389 1.00 0.00 H new ATOM 0 HA CYS A 88 0.388 3.341 -5.019 1.00 0.00 H new ATOM 0 HB2 CYS A 88 0.277 2.865 -2.602 1.00 0.00 H new ATOM 0 HB3 CYS A 88 1.920 3.433 -2.378 1.00 0.00 H new ATOM 0 HG CYS A 88 -0.442 5.576 -3.681 1.00 0.00 H new ATOM 1349 N LEU A 89 1.750 5.322 -5.757 1.00 0.00 N ATOM 1350 CA LEU A 89 2.508 6.448 -6.307 1.00 0.00 C ATOM 1351 C LEU A 89 3.154 7.296 -5.198 1.00 0.00 C ATOM 1352 O LEU A 89 4.272 7.785 -5.385 1.00 0.00 O ATOM 1353 CB LEU A 89 1.566 7.276 -7.207 1.00 0.00 C ATOM 1354 CG LEU A 89 2.108 8.639 -7.673 1.00 0.00 C ATOM 1355 CD1 LEU A 89 3.339 8.521 -8.552 1.00 0.00 C ATOM 1356 CD2 LEU A 89 1.089 9.412 -8.509 1.00 0.00 C ATOM 0 H LEU A 89 0.763 5.339 -6.014 1.00 0.00 H new ATOM 0 HA LEU A 89 3.337 6.075 -6.908 1.00 0.00 H new ATOM 0 HB2 LEU A 89 1.323 6.683 -8.089 1.00 0.00 H new ATOM 0 HB3 LEU A 89 0.633 7.443 -6.668 1.00 0.00 H new ATOM 0 HG LEU A 89 2.343 9.156 -6.742 1.00 0.00 H new ATOM 0 HD11 LEU A 89 3.672 9.516 -8.847 1.00 0.00 H new ATOM 0 HD12 LEU A 89 4.134 8.021 -7.999 1.00 0.00 H new ATOM 0 HD13 LEU A 89 3.096 7.941 -9.442 1.00 0.00 H new ATOM 0 HD21 LEU A 89 1.518 10.367 -8.814 1.00 0.00 H new ATOM 0 HD22 LEU A 89 0.829 8.831 -9.394 1.00 0.00 H new ATOM 0 HD23 LEU A 89 0.192 9.590 -7.916 1.00 0.00 H new ATOM 1368 N LEU A 90 2.489 7.430 -4.049 1.00 0.00 N ATOM 1369 CA LEU A 90 2.965 8.174 -2.891 1.00 0.00 C ATOM 1370 C LEU A 90 3.650 7.248 -1.888 1.00 0.00 C ATOM 1371 O LEU A 90 4.834 7.425 -1.603 1.00 0.00 O ATOM 1372 CB LEU A 90 1.763 8.863 -2.219 1.00 0.00 C ATOM 1373 CG LEU A 90 2.079 9.464 -0.834 1.00 0.00 C ATOM 1374 CD1 LEU A 90 3.187 10.509 -0.909 1.00 0.00 C ATOM 1375 CD2 LEU A 90 0.832 10.106 -0.233 1.00 0.00 C ATOM 0 H LEU A 90 1.573 7.007 -3.898 1.00 0.00 H new ATOM 0 HA LEU A 90 3.694 8.915 -3.221 1.00 0.00 H new ATOM 0 HB2 LEU A 90 1.399 9.655 -2.873 1.00 0.00 H new ATOM 0 HB3 LEU A 90 0.954 8.140 -2.114 1.00 0.00 H new ATOM 0 HG LEU A 90 2.417 8.644 -0.201 1.00 0.00 H new ATOM 0 HD11 LEU A 90 3.379 10.908 0.087 1.00 0.00 H new ATOM 0 HD12 LEU A 90 4.096 10.049 -1.297 1.00 0.00 H new ATOM 0 HD13 LEU A 90 2.879 11.319 -1.571 1.00 0.00 H new ATOM 0 HD21 LEU A 90 1.073 10.525 0.744 1.00 0.00 H new ATOM 0 HD22 LEU A 90 0.478 10.900 -0.891 1.00 0.00 H new ATOM 0 HD23 LEU A 90 0.052 9.352 -0.122 1.00 0.00 H new ATOM 1387 N CYS A 91 2.905 6.310 -1.317 1.00 0.00 N ATOM 1388 CA CYS A 91 3.373 5.454 -0.246 1.00 0.00 C ATOM 1389 C CYS A 91 4.517 4.527 -0.658 1.00 0.00 C ATOM 1390 O CYS A 91 5.441 4.321 0.135 1.00 0.00 O ATOM 1391 CB CYS A 91 2.183 4.701 0.348 1.00 0.00 C ATOM 1392 SG CYS A 91 0.945 5.870 0.978 1.00 0.00 S ATOM 0 H CYS A 91 1.941 6.123 -1.594 1.00 0.00 H new ATOM 0 HA CYS A 91 3.813 6.086 0.525 1.00 0.00 H new ATOM 0 HB2 CYS A 91 1.734 4.060 -0.411 1.00 0.00 H new ATOM 0 HB3 CYS A 91 2.522 4.051 1.154 1.00 0.00 H new ATOM 0 HG CYS A 91 -0.247 5.396 0.766 1.00 0.00 H new ATOM 1397 N GLY A 92 4.493 4.010 -1.889 1.00 0.00 N ATOM 1398 CA GLY A 92 5.594 3.235 -2.451 1.00 0.00 C ATOM 1399 C GLY A 92 5.274 1.867 -3.039 1.00 0.00 C ATOM 1400 O GLY A 92 4.162 1.351 -2.928 1.00 0.00 O ATOM 0 H GLY A 92 3.703 4.120 -2.525 1.00 0.00 H new ATOM 0 HA2 GLY A 92 6.060 3.834 -3.233 1.00 0.00 H new ATOM 0 HA3 GLY A 92 6.340 3.097 -1.668 1.00 0.00 H new ATOM 1404 N LYS A 93 6.301 1.254 -3.636 1.00 0.00 N ATOM 1405 CA LYS A 93 6.273 -0.107 -4.183 1.00 0.00 C ATOM 1406 C LYS A 93 7.191 -1.018 -3.375 1.00 0.00 C ATOM 1407 O LYS A 93 8.400 -0.792 -3.303 1.00 0.00 O ATOM 1408 CB LYS A 93 6.629 -0.084 -5.670 1.00 0.00 C ATOM 1409 CG LYS A 93 6.834 -1.498 -6.249 1.00 0.00 C ATOM 1410 CD LYS A 93 7.222 -1.432 -7.733 1.00 0.00 C ATOM 1411 CE LYS A 93 7.360 -2.848 -8.305 1.00 0.00 C ATOM 1412 NZ LYS A 93 7.742 -2.825 -9.741 1.00 0.00 N ATOM 0 H LYS A 93 7.207 1.707 -3.756 1.00 0.00 H new ATOM 0 HA LYS A 93 5.265 -0.515 -4.101 1.00 0.00 H new ATOM 0 HB2 LYS A 93 5.836 0.420 -6.223 1.00 0.00 H new ATOM 0 HB3 LYS A 93 7.538 0.500 -5.814 1.00 0.00 H new ATOM 0 HG2 LYS A 93 7.612 -2.015 -5.688 1.00 0.00 H new ATOM 0 HG3 LYS A 93 5.919 -2.079 -6.134 1.00 0.00 H new ATOM 0 HD2 LYS A 93 6.466 -0.878 -8.290 1.00 0.00 H new ATOM 0 HD3 LYS A 93 8.162 -0.892 -7.848 1.00 0.00 H new ATOM 0 HE2 LYS A 93 8.110 -3.398 -7.737 1.00 0.00 H new ATOM 0 HE3 LYS A 93 6.417 -3.382 -8.188 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 7.826 -3.800 -10.094 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 7.013 -2.321 -10.286 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 8.654 -2.338 -9.850 1.00 0.00 H new ATOM 1426 N ALA A 94 6.611 -2.043 -2.764 1.00 0.00 N ATOM 1427 CA ALA A 94 7.315 -3.003 -1.921 1.00 0.00 C ATOM 1428 C ALA A 94 6.786 -4.444 -2.040 1.00 0.00 C ATOM 1429 O ALA A 94 5.636 -4.663 -2.417 1.00 0.00 O ATOM 1430 CB ALA A 94 7.224 -2.490 -0.482 1.00 0.00 C ATOM 0 H ALA A 94 5.612 -2.235 -2.842 1.00 0.00 H new ATOM 0 HA ALA A 94 8.351 -3.070 -2.254 1.00 0.00 H new ATOM 0 HB1 ALA A 94 7.740 -3.182 0.184 1.00 0.00 H new ATOM 0 HB2 ALA A 94 7.690 -1.507 -0.416 1.00 0.00 H new ATOM 0 HB3 ALA A 94 6.177 -2.416 -0.188 1.00 0.00 H new ATOM 1436 N GLU A 95 7.619 -5.430 -1.698 1.00 0.00 N ATOM 1437 CA GLU A 95 7.250 -6.851 -1.668 1.00 0.00 C ATOM 1438 C GLU A 95 8.076 -7.617 -0.617 1.00 0.00 C ATOM 1439 O GLU A 95 9.284 -7.406 -0.496 1.00 0.00 O ATOM 1440 CB GLU A 95 7.443 -7.450 -3.071 1.00 0.00 C ATOM 1441 CG GLU A 95 7.167 -8.955 -3.172 1.00 0.00 C ATOM 1442 CD GLU A 95 7.312 -9.436 -4.629 1.00 0.00 C ATOM 1443 OE1 GLU A 95 6.332 -9.342 -5.407 1.00 0.00 O ATOM 1444 OE2 GLU A 95 8.412 -9.906 -5.011 1.00 0.00 O ATOM 0 H GLU A 95 8.588 -5.262 -1.429 1.00 0.00 H new ATOM 0 HA GLU A 95 6.203 -6.944 -1.380 1.00 0.00 H new ATOM 0 HB2 GLU A 95 6.787 -6.927 -3.767 1.00 0.00 H new ATOM 0 HB3 GLU A 95 8.467 -7.260 -3.394 1.00 0.00 H new ATOM 0 HG2 GLU A 95 7.860 -9.501 -2.532 1.00 0.00 H new ATOM 0 HG3 GLU A 95 6.162 -9.171 -2.810 1.00 0.00 H new ATOM 1451 N ASP A 96 7.426 -8.508 0.138 1.00 0.00 N ATOM 1452 CA ASP A 96 8.018 -9.363 1.170 1.00 0.00 C ATOM 1453 C ASP A 96 7.394 -10.767 1.171 1.00 0.00 C ATOM 1454 O ASP A 96 6.220 -10.922 0.829 1.00 0.00 O ATOM 1455 CB ASP A 96 7.820 -8.733 2.561 1.00 0.00 C ATOM 1456 CG ASP A 96 8.899 -9.197 3.552 1.00 0.00 C ATOM 1457 OD1 ASP A 96 10.107 -9.034 3.252 1.00 0.00 O ATOM 1458 OD2 ASP A 96 8.543 -9.729 4.630 1.00 0.00 O ATOM 0 H ASP A 96 6.422 -8.660 0.041 1.00 0.00 H new ATOM 0 HA ASP A 96 9.081 -9.452 0.944 1.00 0.00 H new ATOM 0 HB2 ASP A 96 7.847 -7.647 2.476 1.00 0.00 H new ATOM 0 HB3 ASP A 96 6.835 -8.999 2.944 1.00 0.00 H new ATOM 1463 N THR A 97 8.139 -11.784 1.608 1.00 0.00 N ATOM 1464 CA THR A 97 7.611 -13.153 1.763 1.00 0.00 C ATOM 1465 C THR A 97 8.067 -13.758 3.096 1.00 0.00 C ATOM 1466 O THR A 97 9.244 -13.653 3.451 1.00 0.00 O ATOM 1467 CB THR A 97 7.999 -14.084 0.600 1.00 0.00 C ATOM 1468 OG1 THR A 97 8.049 -13.416 -0.648 1.00 0.00 O ATOM 1469 CG2 THR A 97 6.990 -15.218 0.437 1.00 0.00 C ATOM 0 H THR A 97 9.122 -11.689 1.865 1.00 0.00 H new ATOM 0 HA THR A 97 6.524 -13.067 1.752 1.00 0.00 H new ATOM 0 HB THR A 97 8.988 -14.460 0.862 1.00 0.00 H new ATOM 0 HG1 THR A 97 8.301 -14.052 -1.350 1.00 0.00 H new ATOM 0 HG21 THR A 97 7.292 -15.858 -0.392 1.00 0.00 H new ATOM 0 HG22 THR A 97 6.952 -15.806 1.354 1.00 0.00 H new ATOM 0 HG23 THR A 97 6.004 -14.801 0.233 1.00 0.00 H new ATOM 1477 N ILE A 98 7.146 -14.381 3.844 1.00 0.00 N ATOM 1478 CA ILE A 98 7.388 -14.974 5.171 1.00 0.00 C ATOM 1479 C ILE A 98 7.037 -16.460 5.182 1.00 0.00 C ATOM 1480 O ILE A 98 5.907 -16.821 4.876 1.00 0.00 O ATOM 1481 CB ILE A 98 6.547 -14.274 6.271 1.00 0.00 C ATOM 1482 CG1 ILE A 98 6.471 -12.741 6.093 1.00 0.00 C ATOM 1483 CG2 ILE A 98 7.131 -14.630 7.645 1.00 0.00 C ATOM 1484 CD1 ILE A 98 5.737 -11.990 7.213 1.00 0.00 C ATOM 0 H ILE A 98 6.180 -14.491 3.534 1.00 0.00 H new ATOM 0 HA ILE A 98 8.449 -14.838 5.380 1.00 0.00 H new ATOM 0 HB ILE A 98 5.522 -14.637 6.188 1.00 0.00 H new ATOM 0 HG12 ILE A 98 7.485 -12.349 6.018 1.00 0.00 H new ATOM 0 HG13 ILE A 98 5.975 -12.525 5.147 1.00 0.00 H new ATOM 0 HG21 ILE A 98 6.547 -14.143 8.426 1.00 0.00 H new ATOM 0 HG22 ILE A 98 7.096 -15.710 7.786 1.00 0.00 H new ATOM 0 HG23 ILE A 98 8.165 -14.290 7.700 1.00 0.00 H new ATOM 0 HD11 ILE A 98 5.738 -10.922 6.996 1.00 0.00 H new ATOM 0 HD12 ILE A 98 4.709 -12.347 7.277 1.00 0.00 H new ATOM 0 HD13 ILE A 98 6.242 -12.168 8.162 1.00 0.00 H new ATOM 1496 N SER A 99 7.946 -17.330 5.606 1.00 0.00 N ATOM 1497 CA SER A 99 7.642 -18.758 5.788 1.00 0.00 C ATOM 1498 C SER A 99 6.947 -18.955 7.143 1.00 0.00 C ATOM 1499 O SER A 99 7.361 -18.372 8.150 1.00 0.00 O ATOM 1500 CB SER A 99 8.900 -19.615 5.632 1.00 0.00 C ATOM 1501 OG SER A 99 9.957 -19.162 6.467 1.00 0.00 O ATOM 0 H SER A 99 8.907 -17.076 5.833 1.00 0.00 H new ATOM 0 HA SER A 99 6.958 -19.093 5.008 1.00 0.00 H new ATOM 0 HB2 SER A 99 8.665 -20.652 5.874 1.00 0.00 H new ATOM 0 HB3 SER A 99 9.225 -19.596 4.592 1.00 0.00 H new ATOM 0 HG SER A 99 10.742 -19.735 6.341 1.00 0.00 H new