USER MOD reduce.3.24.130724 H: found=0, std=0, add=965, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 967 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 26 SER OG : rot -170:sc= 0 USER MOD Set 1.2: A 133 GLN : amide:sc= 0 X(o=0,f=0.024) USER MOD Single : A 4 TYR OH : rot 180:sc= 0.814 USER MOD Single : A 5 TYR OH : rot -26:sc= -4.62! USER MOD Single : A 11 SER OG : rot 180:sc= 0.099 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 SER OG : rot 83:sc= -7.18! USER MOD Single : A 23 LYS NZ :NH3+ -130:sc= 0.315 (180deg=0) USER MOD Single : A 27 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 180:sc= -0.718 USER MOD Single : A 38 GLN : amide:sc= -0.0881 X(o=-0.088,f=-0.56!) USER MOD Single : A 40 MET CE :methyl 149:sc= -1.65 (180deg=-3.49!) USER MOD Single : A 41 THR OG1 : rot -48:sc= 0.832 USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 SER OG : rot -84:sc= 0.947 USER MOD Single : A 51 THR OG1 : rot 70:sc= -6.42! USER MOD Single : A 57 GLN : amide:sc= -0.966 K(o=-0.97,f=-5.7!) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 63 ASN : amide:sc= -0.0108 X(o=-0.011,f=-0.095) USER MOD Single : A 64 TYR OH : rot -152:sc= -0.294 USER MOD Single : A 67 HIS : no HD1:sc= -5.59! C(o=-5.6!,f=-7!) USER MOD Single : A 69 TYR OH : rot 115:sc= 1.7 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 76 CYS SG : rot 2:sc= 0.635 USER MOD Single : A 81 THR OG1 : rot 173:sc= -2.95! USER MOD Single : A 83 LYS NZ :NH3+ -165:sc= -0.0287 (180deg=-0.266) USER MOD Single : A 84 GLN : amide:sc= -0.685 K(o=-0.68,f=-2.1!) USER MOD Single : A 85 TYR OH : rot 114:sc= 0.77 USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 THR OG1 : rot 65:sc= 0.241 USER MOD Single : A 95 ASN : amide:sc= -0.0795 K(o=-0.08,f=-1.6) USER MOD Single : A 96 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.00856) USER MOD Single : A 101 TYR OH : rot 120:sc= -5.6! USER MOD Single : A 105 HIS : no HD1:sc= -5.65! K(o=-5.7!,f=-6.2) USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 123 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 124 GLN : amide:sc= -1.2 K(o=-1.2,f=-3!) USER MOD Single : A 127 THR OG1 : rot 74:sc= 1.17 USER MOD Single : A 128 TYR OH : rot 165:sc= -0.0398 USER MOD Single : A 130 SER OG : rot 180:sc= 0 USER MOD Single : A 131 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 132 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 20 N ARG A 2 -9.651 10.665 2.641 1.00 0.00 N ATOM 21 CA ARG A 2 -9.330 9.666 3.654 1.00 0.00 C ATOM 22 C ARG A 2 -8.787 8.390 3.014 1.00 0.00 C ATOM 23 O ARG A 2 -9.389 7.839 2.093 1.00 0.00 O ATOM 24 CB ARG A 2 -10.571 9.342 4.494 1.00 0.00 C ATOM 25 CG ARG A 2 -10.468 9.817 5.935 1.00 0.00 C ATOM 26 CD ARG A 2 -10.742 8.690 6.920 1.00 0.00 C ATOM 27 NE ARG A 2 -11.730 9.069 7.927 1.00 0.00 N ATOM 28 CZ ARG A 2 -13.006 9.326 7.653 1.00 0.00 C ATOM 29 NH1 ARG A 2 -13.453 9.249 6.405 1.00 0.00 N ATOM 30 NH2 ARG A 2 -13.840 9.663 8.628 1.00 0.00 N ATOM 0 HA ARG A 2 -8.558 10.081 4.302 1.00 0.00 H new ATOM 0 HB2 ARG A 2 -11.444 9.801 4.030 1.00 0.00 H new ATOM 0 HB3 ARG A 2 -10.735 8.264 4.486 1.00 0.00 H new ATOM 0 HG2 ARG A 2 -9.472 10.223 6.114 1.00 0.00 H new ATOM 0 HG3 ARG A 2 -11.177 10.627 6.103 1.00 0.00 H new ATOM 0 HD2 ARG A 2 -11.096 7.813 6.378 1.00 0.00 H new ATOM 0 HD3 ARG A 2 -9.812 8.406 7.413 1.00 0.00 H new ATOM 0 HE ARG A 2 -11.423 9.141 8.897 1.00 0.00 H new ATOM 0 HH11 ARG A 2 -12.817 8.992 5.650 1.00 0.00 H new ATOM 0 HH12 ARG A 2 -14.433 9.447 6.201 1.00 0.00 H new ATOM 0 HH21 ARG A 2 -13.503 9.725 9.589 1.00 0.00 H new ATOM 0 HH22 ARG A 2 -14.818 9.860 8.417 1.00 0.00 H new ATOM 44 N ILE A 3 -7.648 7.925 3.518 1.00 0.00 N ATOM 45 CA ILE A 3 -7.021 6.711 3.009 1.00 0.00 C ATOM 46 C ILE A 3 -7.908 5.501 3.276 1.00 0.00 C ATOM 47 O ILE A 3 -8.639 5.466 4.265 1.00 0.00 O ATOM 48 CB ILE A 3 -5.634 6.506 3.652 1.00 0.00 C ATOM 49 CG1 ILE A 3 -4.962 5.231 3.153 1.00 0.00 C ATOM 50 CG2 ILE A 3 -5.760 6.475 5.165 1.00 0.00 C ATOM 51 CD1 ILE A 3 -3.455 5.307 3.237 1.00 0.00 C ATOM 0 H ILE A 3 -7.140 8.372 4.281 1.00 0.00 H new ATOM 0 HA ILE A 3 -6.892 6.819 1.932 1.00 0.00 H new ATOM 0 HB ILE A 3 -5.005 7.346 3.359 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -5.314 4.383 3.741 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -5.257 5.047 2.120 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -4.775 6.330 5.609 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -6.180 7.418 5.514 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -6.415 5.655 5.459 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -3.023 4.376 2.871 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -3.098 6.137 2.628 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -3.156 5.463 4.273 1.00 0.00 H new ATOM 63 N TYR A 4 -7.862 4.522 2.377 1.00 0.00 N ATOM 64 CA TYR A 4 -8.692 3.332 2.517 1.00 0.00 C ATOM 65 C TYR A 4 -7.861 2.066 2.692 1.00 0.00 C ATOM 66 O TYR A 4 -8.212 1.200 3.491 1.00 0.00 O ATOM 67 CB TYR A 4 -9.610 3.191 1.304 1.00 0.00 C ATOM 68 CG TYR A 4 -10.440 4.425 1.036 1.00 0.00 C ATOM 69 CD1 TYR A 4 -11.494 4.770 1.873 1.00 0.00 C ATOM 70 CD2 TYR A 4 -10.170 5.247 -0.051 1.00 0.00 C ATOM 71 CE1 TYR A 4 -12.255 5.898 1.635 1.00 0.00 C ATOM 72 CE2 TYR A 4 -10.927 6.376 -0.295 1.00 0.00 C ATOM 73 CZ TYR A 4 -11.968 6.698 0.549 1.00 0.00 C ATOM 74 OH TYR A 4 -12.722 7.823 0.309 1.00 0.00 O ATOM 0 H TYR A 4 -7.264 4.529 1.551 1.00 0.00 H new ATOM 0 HA TYR A 4 -9.290 3.456 3.420 1.00 0.00 H new ATOM 0 HB2 TYR A 4 -9.006 2.969 0.424 1.00 0.00 H new ATOM 0 HB3 TYR A 4 -10.275 2.341 1.457 1.00 0.00 H new ATOM 0 HD1 TYR A 4 -11.722 4.146 2.724 1.00 0.00 H new ATOM 0 HD2 TYR A 4 -9.355 4.999 -0.716 1.00 0.00 H new ATOM 0 HE1 TYR A 4 -13.070 6.152 2.296 1.00 0.00 H new ATOM 0 HE2 TYR A 4 -10.704 7.005 -1.144 1.00 0.00 H new ATOM 0 HH TYR A 4 -12.388 8.275 -0.494 1.00 0.00 H new ATOM 84 N TYR A 5 -6.770 1.944 1.942 1.00 0.00 N ATOM 85 CA TYR A 5 -5.934 0.753 2.046 1.00 0.00 C ATOM 86 C TYR A 5 -4.468 1.044 1.764 1.00 0.00 C ATOM 87 O TYR A 5 -4.124 1.968 1.029 1.00 0.00 O ATOM 88 CB TYR A 5 -6.441 -0.335 1.093 1.00 0.00 C ATOM 89 CG TYR A 5 -5.569 -1.583 1.029 1.00 0.00 C ATOM 90 CD1 TYR A 5 -4.303 -1.555 0.446 1.00 0.00 C ATOM 91 CD2 TYR A 5 -6.021 -2.793 1.541 1.00 0.00 C ATOM 92 CE1 TYR A 5 -3.521 -2.689 0.374 1.00 0.00 C ATOM 93 CE2 TYR A 5 -5.239 -3.932 1.476 1.00 0.00 C ATOM 94 CZ TYR A 5 -3.991 -3.875 0.891 1.00 0.00 C ATOM 95 OH TYR A 5 -3.215 -5.010 0.821 1.00 0.00 O ATOM 0 H TYR A 5 -6.449 2.640 1.269 1.00 0.00 H new ATOM 0 HA TYR A 5 -6.004 0.404 3.076 1.00 0.00 H new ATOM 0 HB2 TYR A 5 -7.446 -0.626 1.398 1.00 0.00 H new ATOM 0 HB3 TYR A 5 -6.521 0.087 0.091 1.00 0.00 H new ATOM 0 HD1 TYR A 5 -3.927 -0.627 0.042 1.00 0.00 H new ATOM 0 HD2 TYR A 5 -6.999 -2.845 1.997 1.00 0.00 H new ATOM 0 HE1 TYR A 5 -2.545 -2.647 -0.086 1.00 0.00 H new ATOM 0 HE2 TYR A 5 -5.604 -4.864 1.882 1.00 0.00 H new ATOM 0 HH TYR A 5 -2.602 -4.940 0.060 1.00 0.00 H new ATOM 105 N ILE A 6 -3.613 0.216 2.344 1.00 0.00 N ATOM 106 CA ILE A 6 -2.181 0.323 2.162 1.00 0.00 C ATOM 107 C ILE A 6 -1.566 -1.068 2.194 1.00 0.00 C ATOM 108 O ILE A 6 -2.215 -2.029 2.610 1.00 0.00 O ATOM 109 CB ILE A 6 -1.548 1.234 3.244 1.00 0.00 C ATOM 110 CG1 ILE A 6 -1.505 2.677 2.736 1.00 0.00 C ATOM 111 CG2 ILE A 6 -0.153 0.770 3.648 1.00 0.00 C ATOM 112 CD1 ILE A 6 -0.626 3.598 3.557 1.00 0.00 C ATOM 0 H ILE A 6 -3.897 -0.550 2.955 1.00 0.00 H new ATOM 0 HA ILE A 6 -1.979 0.782 1.194 1.00 0.00 H new ATOM 0 HB ILE A 6 -2.171 1.175 4.136 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -1.150 2.677 1.706 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -2.519 3.076 2.724 1.00 0.00 H new ATOM 0 HG21 ILE A 6 0.248 1.441 4.408 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -0.208 -0.242 4.049 1.00 0.00 H new ATOM 0 HG23 ILE A 6 0.500 0.779 2.776 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -0.651 4.601 3.130 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -0.992 3.631 4.583 1.00 0.00 H new ATOM 0 HD13 ILE A 6 0.398 3.226 3.549 1.00 0.00 H new ATOM 124 N GLY A 7 -0.327 -1.180 1.754 1.00 0.00 N ATOM 125 CA GLY A 7 0.327 -2.471 1.752 1.00 0.00 C ATOM 126 C GLY A 7 1.505 -2.533 0.811 1.00 0.00 C ATOM 127 O GLY A 7 2.016 -1.503 0.370 1.00 0.00 O ATOM 0 H GLY A 7 0.237 -0.407 1.400 1.00 0.00 H new ATOM 0 HA2 GLY A 7 0.663 -2.703 2.762 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -0.395 -3.238 1.472 1.00 0.00 H new ATOM 131 N VAL A 8 1.941 -3.746 0.508 1.00 0.00 N ATOM 132 CA VAL A 8 3.073 -3.943 -0.378 1.00 0.00 C ATOM 133 C VAL A 8 2.900 -5.195 -1.226 1.00 0.00 C ATOM 134 O VAL A 8 2.274 -6.164 -0.798 1.00 0.00 O ATOM 135 CB VAL A 8 4.390 -4.059 0.404 1.00 0.00 C ATOM 136 CG1 VAL A 8 5.534 -3.463 -0.400 1.00 0.00 C ATOM 137 CG2 VAL A 8 4.283 -3.388 1.764 1.00 0.00 C ATOM 0 H VAL A 8 1.527 -4.608 0.864 1.00 0.00 H new ATOM 0 HA VAL A 8 3.115 -3.067 -1.025 1.00 0.00 H new ATOM 0 HB VAL A 8 4.594 -5.117 0.571 1.00 0.00 H new ATOM 0 HG11 VAL A 8 6.461 -3.552 0.166 1.00 0.00 H new ATOM 0 HG12 VAL A 8 5.633 -3.998 -1.344 1.00 0.00 H new ATOM 0 HG13 VAL A 8 5.330 -2.411 -0.599 1.00 0.00 H new ATOM 0 HG21 VAL A 8 5.230 -3.487 2.294 1.00 0.00 H new ATOM 0 HG22 VAL A 8 4.050 -2.332 1.631 1.00 0.00 H new ATOM 0 HG23 VAL A 8 3.492 -3.864 2.343 1.00 0.00 H new ATOM 147 N PHE A 9 3.455 -5.163 -2.433 1.00 0.00 N ATOM 148 CA PHE A 9 3.363 -6.291 -3.354 1.00 0.00 C ATOM 149 C PHE A 9 4.447 -6.200 -4.417 1.00 0.00 C ATOM 150 O PHE A 9 4.505 -5.232 -5.175 1.00 0.00 O ATOM 151 CB PHE A 9 1.992 -6.353 -4.045 1.00 0.00 C ATOM 152 CG PHE A 9 0.868 -5.665 -3.322 1.00 0.00 C ATOM 153 CD1 PHE A 9 0.969 -4.338 -2.935 1.00 0.00 C ATOM 154 CD2 PHE A 9 -0.303 -6.349 -3.047 1.00 0.00 C ATOM 155 CE1 PHE A 9 -0.070 -3.716 -2.281 1.00 0.00 C ATOM 156 CE2 PHE A 9 -1.349 -5.726 -2.398 1.00 0.00 C ATOM 157 CZ PHE A 9 -1.229 -4.408 -2.013 1.00 0.00 C ATOM 0 H PHE A 9 3.975 -4.365 -2.798 1.00 0.00 H new ATOM 0 HA PHE A 9 3.496 -7.197 -2.763 1.00 0.00 H new ATOM 0 HB2 PHE A 9 2.085 -5.912 -5.038 1.00 0.00 H new ATOM 0 HB3 PHE A 9 1.723 -7.400 -4.185 1.00 0.00 H new ATOM 0 HD1 PHE A 9 1.872 -3.786 -3.149 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -0.399 -7.383 -3.344 1.00 0.00 H new ATOM 0 HE1 PHE A 9 0.024 -2.684 -1.978 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -2.259 -6.270 -2.192 1.00 0.00 H new ATOM 0 HZ PHE A 9 -2.044 -3.918 -1.501 1.00 0.00 H new ATOM 167 N ARG A 10 5.295 -7.216 -4.479 1.00 0.00 N ATOM 168 CA ARG A 10 6.364 -7.244 -5.467 1.00 0.00 C ATOM 169 C ARG A 10 5.866 -7.860 -6.768 1.00 0.00 C ATOM 170 O ARG A 10 5.133 -8.848 -6.757 1.00 0.00 O ATOM 171 CB ARG A 10 7.570 -8.024 -4.945 1.00 0.00 C ATOM 172 CG ARG A 10 8.636 -8.267 -6.001 1.00 0.00 C ATOM 173 CD ARG A 10 8.494 -9.644 -6.629 1.00 0.00 C ATOM 174 NE ARG A 10 9.274 -9.768 -7.857 1.00 0.00 N ATOM 175 CZ ARG A 10 9.472 -10.917 -8.498 1.00 0.00 C ATOM 176 NH1 ARG A 10 8.950 -12.045 -8.029 1.00 0.00 N ATOM 177 NH2 ARG A 10 10.192 -10.940 -9.611 1.00 0.00 N ATOM 0 H ARG A 10 5.265 -8.027 -3.861 1.00 0.00 H new ATOM 0 HA ARG A 10 6.676 -6.217 -5.657 1.00 0.00 H new ATOM 0 HB2 ARG A 10 8.013 -7.479 -4.111 1.00 0.00 H new ATOM 0 HB3 ARG A 10 7.231 -8.983 -4.554 1.00 0.00 H new ATOM 0 HG2 ARG A 10 8.563 -7.503 -6.775 1.00 0.00 H new ATOM 0 HG3 ARG A 10 9.624 -8.171 -5.551 1.00 0.00 H new ATOM 0 HD2 ARG A 10 8.817 -10.403 -5.916 1.00 0.00 H new ATOM 0 HD3 ARG A 10 7.443 -9.837 -6.846 1.00 0.00 H new ATOM 0 HE ARG A 10 9.692 -8.923 -8.247 1.00 0.00 H new ATOM 0 HH11 ARG A 10 8.394 -12.033 -7.174 1.00 0.00 H new ATOM 0 HH12 ARG A 10 9.105 -12.923 -8.524 1.00 0.00 H new ATOM 0 HH21 ARG A 10 10.594 -10.077 -9.976 1.00 0.00 H new ATOM 0 HH22 ARG A 10 10.344 -11.821 -10.102 1.00 0.00 H new ATOM 191 N SER A 11 6.267 -7.268 -7.885 1.00 0.00 N ATOM 192 CA SER A 11 5.858 -7.758 -9.195 1.00 0.00 C ATOM 193 C SER A 11 6.416 -9.153 -9.453 1.00 0.00 C ATOM 194 O SER A 11 7.598 -9.314 -9.753 1.00 0.00 O ATOM 195 CB SER A 11 6.321 -6.798 -10.288 1.00 0.00 C ATOM 196 OG SER A 11 7.502 -6.117 -9.904 1.00 0.00 O ATOM 0 H SER A 11 6.874 -6.449 -7.911 1.00 0.00 H new ATOM 0 HA SER A 11 4.770 -7.815 -9.211 1.00 0.00 H new ATOM 0 HB2 SER A 11 6.500 -7.351 -11.210 1.00 0.00 H new ATOM 0 HB3 SER A 11 5.533 -6.075 -10.498 1.00 0.00 H new ATOM 0 HG SER A 11 7.778 -5.510 -10.622 1.00 0.00 H new ATOM 202 N GLY A 12 5.556 -10.159 -9.332 1.00 0.00 N ATOM 203 CA GLY A 12 5.981 -11.530 -9.552 1.00 0.00 C ATOM 204 C GLY A 12 5.620 -12.041 -10.933 1.00 0.00 C ATOM 205 O GLY A 12 4.764 -12.915 -11.074 1.00 0.00 O ATOM 0 H GLY A 12 4.572 -10.050 -9.086 1.00 0.00 H new ATOM 0 HA2 GLY A 12 7.060 -11.598 -9.415 1.00 0.00 H new ATOM 0 HA3 GLY A 12 5.523 -12.173 -8.800 1.00 0.00 H new ATOM 209 N GLY A 13 6.278 -11.500 -11.954 1.00 0.00 N ATOM 210 CA GLY A 13 6.014 -11.924 -13.317 1.00 0.00 C ATOM 211 C GLY A 13 4.560 -11.745 -13.715 1.00 0.00 C ATOM 212 O GLY A 13 4.169 -10.680 -14.195 1.00 0.00 O ATOM 0 H GLY A 13 6.990 -10.775 -11.861 1.00 0.00 H new ATOM 0 HA2 GLY A 13 6.646 -11.355 -13.999 1.00 0.00 H new ATOM 0 HA3 GLY A 13 6.290 -12.973 -13.427 1.00 0.00 H new ATOM 216 N GLU A 14 3.761 -12.788 -13.519 1.00 0.00 N ATOM 217 CA GLU A 14 2.343 -12.744 -13.864 1.00 0.00 C ATOM 218 C GLU A 14 1.651 -11.566 -13.184 1.00 0.00 C ATOM 219 O GLU A 14 0.799 -10.906 -13.778 1.00 0.00 O ATOM 220 CB GLU A 14 1.659 -14.055 -13.467 1.00 0.00 C ATOM 221 CG GLU A 14 1.272 -14.922 -14.654 1.00 0.00 C ATOM 222 CD GLU A 14 2.040 -16.228 -14.699 1.00 0.00 C ATOM 223 OE1 GLU A 14 3.287 -16.182 -14.741 1.00 0.00 O ATOM 224 OE2 GLU A 14 1.394 -17.298 -14.693 1.00 0.00 O ATOM 0 H GLU A 14 4.071 -13.675 -13.123 1.00 0.00 H new ATOM 0 HA GLU A 14 2.262 -12.613 -14.943 1.00 0.00 H new ATOM 0 HB2 GLU A 14 2.326 -14.621 -12.816 1.00 0.00 H new ATOM 0 HB3 GLU A 14 0.765 -13.828 -12.887 1.00 0.00 H new ATOM 0 HG2 GLU A 14 0.204 -15.135 -14.611 1.00 0.00 H new ATOM 0 HG3 GLU A 14 1.450 -14.369 -15.576 1.00 0.00 H new ATOM 231 N LYS A 15 2.029 -11.308 -11.938 1.00 0.00 N ATOM 232 CA LYS A 15 1.452 -10.211 -11.175 1.00 0.00 C ATOM 233 C LYS A 15 2.113 -10.102 -9.808 1.00 0.00 C ATOM 234 O LYS A 15 3.066 -10.821 -9.508 1.00 0.00 O ATOM 235 CB LYS A 15 -0.058 -10.406 -11.013 1.00 0.00 C ATOM 236 CG LYS A 15 -0.430 -11.612 -10.166 1.00 0.00 C ATOM 237 CD LYS A 15 -0.951 -12.756 -11.021 1.00 0.00 C ATOM 238 CE LYS A 15 -2.172 -13.408 -10.394 1.00 0.00 C ATOM 239 NZ LYS A 15 -1.805 -14.579 -9.550 1.00 0.00 N ATOM 0 H LYS A 15 2.734 -11.846 -11.434 1.00 0.00 H new ATOM 0 HA LYS A 15 1.630 -9.286 -11.723 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -0.485 -9.510 -10.562 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -0.510 -10.512 -11.999 1.00 0.00 H new ATOM 0 HG2 LYS A 15 0.442 -11.945 -9.603 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -1.189 -11.326 -9.438 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -1.205 -12.384 -12.013 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -0.166 -13.501 -11.152 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -2.703 -12.675 -9.787 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -2.857 -13.727 -11.180 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -2.666 -14.995 -9.141 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -1.321 -15.290 -10.134 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -1.172 -14.271 -8.785 1.00 0.00 H new ATOM 253 N ALA A 16 1.602 -9.197 -8.985 1.00 0.00 N ATOM 254 CA ALA A 16 2.141 -8.989 -7.649 1.00 0.00 C ATOM 255 C ALA A 16 1.989 -10.239 -6.788 1.00 0.00 C ATOM 256 O ALA A 16 1.083 -11.044 -7.003 1.00 0.00 O ATOM 257 CB ALA A 16 1.452 -7.808 -6.993 1.00 0.00 C ATOM 0 H ALA A 16 0.813 -8.594 -9.220 1.00 0.00 H new ATOM 0 HA ALA A 16 3.206 -8.777 -7.740 1.00 0.00 H new ATOM 0 HB1 ALA A 16 1.860 -7.658 -5.993 1.00 0.00 H new ATOM 0 HB2 ALA A 16 1.618 -6.912 -7.591 1.00 0.00 H new ATOM 0 HB3 ALA A 16 0.382 -8.004 -6.922 1.00 0.00 H new ATOM 263 N LEU A 17 2.880 -10.397 -5.812 1.00 0.00 N ATOM 264 CA LEU A 17 2.835 -11.552 -4.921 1.00 0.00 C ATOM 265 C LEU A 17 2.296 -11.169 -3.545 1.00 0.00 C ATOM 266 O LEU A 17 2.473 -11.900 -2.570 1.00 0.00 O ATOM 267 CB LEU A 17 4.225 -12.182 -4.788 1.00 0.00 C ATOM 268 CG LEU A 17 5.128 -11.552 -3.721 1.00 0.00 C ATOM 269 CD1 LEU A 17 5.198 -12.438 -2.485 1.00 0.00 C ATOM 270 CD2 LEU A 17 6.520 -11.303 -4.279 1.00 0.00 C ATOM 0 H LEU A 17 3.638 -9.743 -5.619 1.00 0.00 H new ATOM 0 HA LEU A 17 2.156 -12.284 -5.359 1.00 0.00 H new ATOM 0 HB2 LEU A 17 4.106 -13.241 -4.561 1.00 0.00 H new ATOM 0 HB3 LEU A 17 4.729 -12.117 -5.752 1.00 0.00 H new ATOM 0 HG LEU A 17 4.697 -10.594 -3.431 1.00 0.00 H new ATOM 0 HD11 LEU A 17 5.844 -11.973 -1.740 1.00 0.00 H new ATOM 0 HD12 LEU A 17 4.198 -12.564 -2.070 1.00 0.00 H new ATOM 0 HD13 LEU A 17 5.603 -13.412 -2.758 1.00 0.00 H new ATOM 0 HD21 LEU A 17 7.147 -10.856 -3.507 1.00 0.00 H new ATOM 0 HD22 LEU A 17 6.958 -12.248 -4.599 1.00 0.00 H new ATOM 0 HD23 LEU A 17 6.455 -10.626 -5.131 1.00 0.00 H new ATOM 282 N GLU A 18 1.632 -10.025 -3.482 1.00 0.00 N ATOM 283 CA GLU A 18 1.052 -9.528 -2.237 1.00 0.00 C ATOM 284 C GLU A 18 2.004 -9.696 -1.051 1.00 0.00 C ATOM 285 O GLU A 18 2.009 -10.736 -0.392 1.00 0.00 O ATOM 286 CB GLU A 18 -0.267 -10.247 -1.949 1.00 0.00 C ATOM 287 CG GLU A 18 -1.233 -10.239 -3.123 1.00 0.00 C ATOM 288 CD GLU A 18 -2.521 -10.981 -2.823 1.00 0.00 C ATOM 289 OE1 GLU A 18 -3.468 -10.346 -2.315 1.00 0.00 O ATOM 290 OE2 GLU A 18 -2.582 -12.197 -3.098 1.00 0.00 O ATOM 0 H GLU A 18 1.479 -9.416 -4.286 1.00 0.00 H new ATOM 0 HA GLU A 18 0.870 -8.461 -2.366 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -0.055 -11.279 -1.670 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -0.747 -9.777 -1.091 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -1.466 -9.208 -3.390 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -0.750 -10.692 -3.989 1.00 0.00 H new ATOM 297 N LEU A 19 2.791 -8.659 -0.773 1.00 0.00 N ATOM 298 CA LEU A 19 3.725 -8.686 0.347 1.00 0.00 C ATOM 299 C LEU A 19 2.966 -8.537 1.655 1.00 0.00 C ATOM 300 O LEU A 19 2.746 -9.515 2.370 1.00 0.00 O ATOM 301 CB LEU A 19 4.758 -7.576 0.214 1.00 0.00 C ATOM 302 CG LEU A 19 5.701 -7.708 -0.979 1.00 0.00 C ATOM 303 CD1 LEU A 19 6.640 -6.517 -1.032 1.00 0.00 C ATOM 304 CD2 LEU A 19 6.485 -9.012 -0.905 1.00 0.00 C ATOM 0 H LEU A 19 2.800 -7.791 -1.308 1.00 0.00 H new ATOM 0 HA LEU A 19 4.247 -9.643 0.341 1.00 0.00 H new ATOM 0 HB2 LEU A 19 4.236 -6.622 0.141 1.00 0.00 H new ATOM 0 HB3 LEU A 19 5.354 -7.544 1.126 1.00 0.00 H new ATOM 0 HG LEU A 19 5.108 -7.726 -1.893 1.00 0.00 H new ATOM 0 HD11 LEU A 19 7.309 -6.619 -1.886 1.00 0.00 H new ATOM 0 HD12 LEU A 19 6.059 -5.600 -1.134 1.00 0.00 H new ATOM 0 HD13 LEU A 19 7.227 -6.475 -0.114 1.00 0.00 H new ATOM 0 HD21 LEU A 19 7.151 -9.086 -1.765 1.00 0.00 H new ATOM 0 HD22 LEU A 19 7.073 -9.031 0.012 1.00 0.00 H new ATOM 0 HD23 LEU A 19 5.792 -9.854 -0.909 1.00 0.00 H new ATOM 316 N SER A 20 2.536 -7.313 1.952 1.00 0.00 N ATOM 317 CA SER A 20 1.768 -7.059 3.159 1.00 0.00 C ATOM 318 C SER A 20 0.439 -6.403 2.810 1.00 0.00 C ATOM 319 O SER A 20 0.361 -5.615 1.866 1.00 0.00 O ATOM 320 CB SER A 20 2.547 -6.210 4.156 1.00 0.00 C ATOM 321 OG SER A 20 2.427 -4.831 3.859 1.00 0.00 O ATOM 0 H SER A 20 2.707 -6.489 1.375 1.00 0.00 H new ATOM 0 HA SER A 20 1.571 -8.018 3.637 1.00 0.00 H new ATOM 0 HB2 SER A 20 2.180 -6.401 5.165 1.00 0.00 H new ATOM 0 HB3 SER A 20 3.598 -6.498 4.140 1.00 0.00 H new ATOM 0 HG SER A 20 1.591 -4.486 4.237 1.00 0.00 H new ATOM 327 N GLU A 21 -0.616 -6.749 3.544 1.00 0.00 N ATOM 328 CA GLU A 21 -1.936 -6.203 3.262 1.00 0.00 C ATOM 329 C GLU A 21 -2.586 -5.561 4.488 1.00 0.00 C ATOM 330 O GLU A 21 -2.960 -6.245 5.441 1.00 0.00 O ATOM 331 CB GLU A 21 -2.840 -7.314 2.718 1.00 0.00 C ATOM 332 CG GLU A 21 -4.281 -6.888 2.494 1.00 0.00 C ATOM 333 CD GLU A 21 -5.278 -7.916 2.994 1.00 0.00 C ATOM 334 OE1 GLU A 21 -4.985 -8.580 4.011 1.00 0.00 O ATOM 335 OE2 GLU A 21 -6.350 -8.057 2.368 1.00 0.00 O ATOM 0 H GLU A 21 -0.582 -7.398 4.330 1.00 0.00 H new ATOM 0 HA GLU A 21 -1.810 -5.415 2.520 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -2.428 -7.674 1.775 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -2.825 -8.153 3.413 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -4.458 -5.939 3.000 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -4.444 -6.717 1.430 1.00 0.00 H new ATOM 342 N VAL A 22 -2.752 -4.243 4.425 1.00 0.00 N ATOM 343 CA VAL A 22 -3.393 -3.487 5.486 1.00 0.00 C ATOM 344 C VAL A 22 -4.571 -2.704 4.912 1.00 0.00 C ATOM 345 O VAL A 22 -4.459 -2.102 3.844 1.00 0.00 O ATOM 346 CB VAL A 22 -2.406 -2.524 6.165 1.00 0.00 C ATOM 347 CG1 VAL A 22 -1.888 -1.480 5.190 1.00 0.00 C ATOM 348 CG2 VAL A 22 -3.051 -1.863 7.374 1.00 0.00 C ATOM 0 H VAL A 22 -2.445 -3.674 3.636 1.00 0.00 H new ATOM 0 HA VAL A 22 -3.747 -4.189 6.241 1.00 0.00 H new ATOM 0 HB VAL A 22 -1.551 -3.108 6.506 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -1.193 -0.816 5.703 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -1.375 -1.975 4.365 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -2.724 -0.899 4.801 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -2.337 -1.185 7.842 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -3.930 -1.302 7.056 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -3.348 -2.628 8.091 1.00 0.00 H new ATOM 358 N LYS A 23 -5.708 -2.735 5.599 1.00 0.00 N ATOM 359 CA LYS A 23 -6.894 -2.041 5.109 1.00 0.00 C ATOM 360 C LYS A 23 -7.423 -1.015 6.094 1.00 0.00 C ATOM 361 O LYS A 23 -7.040 -0.983 7.264 1.00 0.00 O ATOM 362 CB LYS A 23 -8.012 -3.039 4.810 1.00 0.00 C ATOM 363 CG LYS A 23 -7.556 -4.254 4.018 1.00 0.00 C ATOM 364 CD LYS A 23 -7.794 -5.545 4.785 1.00 0.00 C ATOM 365 CE LYS A 23 -6.521 -6.037 5.455 1.00 0.00 C ATOM 366 NZ LYS A 23 -6.725 -7.343 6.142 1.00 0.00 N ATOM 0 H LYS A 23 -5.834 -3.226 6.484 1.00 0.00 H new ATOM 0 HA LYS A 23 -6.587 -1.521 4.202 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -8.449 -3.374 5.751 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -8.801 -2.531 4.255 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -8.090 -4.291 3.068 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -6.496 -4.159 3.784 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -8.565 -5.385 5.539 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -8.168 -6.310 4.105 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -5.733 -6.139 4.708 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -6.181 -5.295 6.178 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -6.361 -7.284 7.115 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -7.740 -7.568 6.165 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -6.216 -8.089 5.627 1.00 0.00 H new ATOM 380 N ASP A 24 -8.346 -0.205 5.596 1.00 0.00 N ATOM 381 CA ASP A 24 -9.005 0.811 6.389 1.00 0.00 C ATOM 382 C ASP A 24 -10.452 0.921 5.932 1.00 0.00 C ATOM 383 O ASP A 24 -10.736 1.421 4.843 1.00 0.00 O ATOM 384 CB ASP A 24 -8.297 2.159 6.241 1.00 0.00 C ATOM 385 CG ASP A 24 -8.768 3.175 7.264 1.00 0.00 C ATOM 386 OD1 ASP A 24 -8.791 2.839 8.467 1.00 0.00 O ATOM 387 OD2 ASP A 24 -9.114 4.306 6.862 1.00 0.00 O ATOM 0 H ASP A 24 -8.657 -0.238 4.625 1.00 0.00 H new ATOM 0 HA ASP A 24 -8.968 0.531 7.442 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -7.222 2.015 6.345 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -8.471 2.550 5.238 1.00 0.00 H new ATOM 392 N LEU A 25 -11.358 0.429 6.760 1.00 0.00 N ATOM 393 CA LEU A 25 -12.777 0.446 6.441 1.00 0.00 C ATOM 394 C LEU A 25 -13.535 1.391 7.366 1.00 0.00 C ATOM 395 O LEU A 25 -14.223 0.960 8.291 1.00 0.00 O ATOM 396 CB LEU A 25 -13.350 -0.968 6.533 1.00 0.00 C ATOM 397 CG LEU A 25 -12.828 -1.941 5.472 1.00 0.00 C ATOM 398 CD1 LEU A 25 -12.892 -1.313 4.087 1.00 0.00 C ATOM 399 CD2 LEU A 25 -11.404 -2.374 5.800 1.00 0.00 C ATOM 0 H LEU A 25 -11.135 0.011 7.663 1.00 0.00 H new ATOM 0 HA LEU A 25 -12.896 0.811 5.421 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -13.125 -1.373 7.520 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -14.435 -0.911 6.452 1.00 0.00 H new ATOM 0 HG LEU A 25 -13.466 -2.825 5.474 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -12.516 -2.021 3.349 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -13.925 -1.056 3.851 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -12.281 -0.411 4.068 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -11.049 -3.065 5.036 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -10.755 -1.499 5.828 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -11.389 -2.868 6.771 1.00 0.00 H new ATOM 411 N SER A 26 -13.393 2.682 7.104 1.00 0.00 N ATOM 412 CA SER A 26 -14.050 3.713 7.903 1.00 0.00 C ATOM 413 C SER A 26 -15.574 3.615 7.810 1.00 0.00 C ATOM 414 O SER A 26 -16.224 3.080 8.708 1.00 0.00 O ATOM 415 CB SER A 26 -13.589 5.101 7.456 1.00 0.00 C ATOM 416 OG SER A 26 -12.239 5.331 7.817 1.00 0.00 O ATOM 0 H SER A 26 -12.825 3.045 6.339 1.00 0.00 H new ATOM 0 HA SER A 26 -13.767 3.554 8.944 1.00 0.00 H new ATOM 0 HB2 SER A 26 -13.701 5.194 6.376 1.00 0.00 H new ATOM 0 HB3 SER A 26 -14.224 5.862 7.909 1.00 0.00 H new ATOM 0 HG SER A 26 -12.016 6.273 7.665 1.00 0.00 H new ATOM 422 N GLN A 27 -16.141 4.145 6.727 1.00 0.00 N ATOM 423 CA GLN A 27 -17.590 4.126 6.532 1.00 0.00 C ATOM 424 C GLN A 27 -18.077 2.757 6.060 1.00 0.00 C ATOM 425 O GLN A 27 -19.268 2.453 6.129 1.00 0.00 O ATOM 426 CB GLN A 27 -18.002 5.199 5.522 1.00 0.00 C ATOM 427 CG GLN A 27 -17.756 6.618 6.008 1.00 0.00 C ATOM 428 CD GLN A 27 -18.341 7.662 5.078 1.00 0.00 C ATOM 429 OE1 GLN A 27 -19.144 8.498 5.491 1.00 0.00 O ATOM 430 NE2 GLN A 27 -17.940 7.619 3.812 1.00 0.00 N ATOM 0 H GLN A 27 -15.620 4.592 5.973 1.00 0.00 H new ATOM 0 HA GLN A 27 -18.055 4.336 7.495 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -17.454 5.042 4.593 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -19.061 5.081 5.291 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -18.189 6.738 7.001 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -16.683 6.784 6.106 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -17.272 6.908 3.512 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -18.300 8.297 3.140 1.00 0.00 H new ATOM 439 N PHE A 28 -17.151 1.938 5.582 1.00 0.00 N ATOM 440 CA PHE A 28 -17.481 0.600 5.097 1.00 0.00 C ATOM 441 C PHE A 28 -17.837 -0.319 6.263 1.00 0.00 C ATOM 442 O PHE A 28 -16.957 -0.801 6.977 1.00 0.00 O ATOM 443 CB PHE A 28 -16.309 0.018 4.299 1.00 0.00 C ATOM 444 CG PHE A 28 -15.573 1.047 3.487 1.00 0.00 C ATOM 445 CD1 PHE A 28 -14.620 1.857 4.080 1.00 0.00 C ATOM 446 CD2 PHE A 28 -15.841 1.213 2.139 1.00 0.00 C ATOM 447 CE1 PHE A 28 -13.948 2.811 3.351 1.00 0.00 C ATOM 448 CE2 PHE A 28 -15.170 2.170 1.402 1.00 0.00 C ATOM 449 CZ PHE A 28 -14.222 2.969 2.012 1.00 0.00 C ATOM 0 H PHE A 28 -16.161 2.175 5.518 1.00 0.00 H new ATOM 0 HA PHE A 28 -18.347 0.675 4.439 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -15.611 -0.459 4.987 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -16.682 -0.760 3.634 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -14.401 1.738 5.131 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -16.581 0.589 1.659 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -13.207 3.435 3.829 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -15.386 2.293 0.351 1.00 0.00 H new ATOM 0 HZ PHE A 28 -13.696 3.717 1.438 1.00 0.00 H new ATOM 459 N GLY A 29 -19.134 -0.547 6.455 1.00 0.00 N ATOM 460 CA GLY A 29 -19.592 -1.397 7.541 1.00 0.00 C ATOM 461 C GLY A 29 -18.947 -2.770 7.530 1.00 0.00 C ATOM 462 O GLY A 29 -18.001 -3.011 6.784 1.00 0.00 O ATOM 0 H GLY A 29 -19.878 -0.157 5.876 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -19.379 -0.909 8.492 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -20.674 -1.509 7.476 1.00 0.00 H new ATOM 466 N PHE A 30 -19.459 -3.669 8.364 1.00 0.00 N ATOM 467 CA PHE A 30 -18.923 -5.024 8.448 1.00 0.00 C ATOM 468 C PHE A 30 -19.069 -5.752 7.114 1.00 0.00 C ATOM 469 O PHE A 30 -18.118 -6.357 6.620 1.00 0.00 O ATOM 470 CB PHE A 30 -19.630 -5.809 9.555 1.00 0.00 C ATOM 471 CG PHE A 30 -21.126 -5.832 9.419 1.00 0.00 C ATOM 472 CD1 PHE A 30 -21.752 -6.824 8.681 1.00 0.00 C ATOM 473 CD2 PHE A 30 -21.905 -4.863 10.029 1.00 0.00 C ATOM 474 CE1 PHE A 30 -23.128 -6.849 8.556 1.00 0.00 C ATOM 475 CE2 PHE A 30 -23.281 -4.882 9.907 1.00 0.00 C ATOM 476 CZ PHE A 30 -23.894 -5.877 9.169 1.00 0.00 C ATOM 0 H PHE A 30 -20.243 -3.485 8.990 1.00 0.00 H new ATOM 0 HA PHE A 30 -17.862 -4.953 8.687 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -19.258 -6.834 9.556 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -19.369 -5.375 10.520 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -21.158 -7.586 8.198 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -21.431 -4.083 10.607 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -23.604 -7.628 7.979 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -23.877 -4.120 10.388 1.00 0.00 H new ATOM 0 HZ PHE A 30 -24.969 -5.894 9.072 1.00 0.00 H new ATOM 486 N PHE A 31 -20.265 -5.687 6.536 1.00 0.00 N ATOM 487 CA PHE A 31 -20.531 -6.337 5.259 1.00 0.00 C ATOM 488 C PHE A 31 -19.725 -5.678 4.145 1.00 0.00 C ATOM 489 O PHE A 31 -19.126 -6.358 3.311 1.00 0.00 O ATOM 490 CB PHE A 31 -22.024 -6.278 4.931 1.00 0.00 C ATOM 491 CG PHE A 31 -22.552 -4.880 4.786 1.00 0.00 C ATOM 492 CD1 PHE A 31 -23.043 -4.194 5.887 1.00 0.00 C ATOM 493 CD2 PHE A 31 -22.558 -4.251 3.552 1.00 0.00 C ATOM 494 CE1 PHE A 31 -23.530 -2.907 5.757 1.00 0.00 C ATOM 495 CE2 PHE A 31 -23.045 -2.965 3.417 1.00 0.00 C ATOM 496 CZ PHE A 31 -23.532 -2.292 4.520 1.00 0.00 C ATOM 0 H PHE A 31 -21.064 -5.191 6.932 1.00 0.00 H new ATOM 0 HA PHE A 31 -20.229 -7.381 5.337 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -22.206 -6.824 4.005 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -22.581 -6.788 5.717 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -23.045 -4.671 6.856 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -22.178 -4.772 2.686 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -23.909 -2.383 6.622 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -23.045 -2.486 2.449 1.00 0.00 H new ATOM 0 HZ PHE A 31 -23.914 -1.287 4.416 1.00 0.00 H new ATOM 506 N GLU A 32 -19.710 -4.350 4.142 1.00 0.00 N ATOM 507 CA GLU A 32 -18.970 -3.597 3.137 1.00 0.00 C ATOM 508 C GLU A 32 -17.469 -3.746 3.357 1.00 0.00 C ATOM 509 O GLU A 32 -16.686 -3.726 2.409 1.00 0.00 O ATOM 510 CB GLU A 32 -19.366 -2.119 3.182 1.00 0.00 C ATOM 511 CG GLU A 32 -19.762 -1.554 1.828 1.00 0.00 C ATOM 512 CD GLU A 32 -20.817 -0.471 1.933 1.00 0.00 C ATOM 513 OE1 GLU A 32 -21.758 -0.635 2.738 1.00 0.00 O ATOM 514 OE2 GLU A 32 -20.705 0.541 1.210 1.00 0.00 O ATOM 0 H GLU A 32 -20.202 -3.773 4.824 1.00 0.00 H new ATOM 0 HA GLU A 32 -19.219 -3.997 2.154 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -20.198 -1.995 3.875 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -18.532 -1.540 3.578 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -18.878 -1.148 1.335 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -20.136 -2.361 1.198 1.00 0.00 H new ATOM 521 N ARG A 33 -17.076 -3.898 4.617 1.00 0.00 N ATOM 522 CA ARG A 33 -15.670 -4.056 4.970 1.00 0.00 C ATOM 523 C ARG A 33 -15.076 -5.270 4.263 1.00 0.00 C ATOM 524 O ARG A 33 -13.903 -5.272 3.888 1.00 0.00 O ATOM 525 CB ARG A 33 -15.526 -4.198 6.491 1.00 0.00 C ATOM 526 CG ARG A 33 -14.124 -4.570 6.959 1.00 0.00 C ATOM 527 CD ARG A 33 -14.165 -5.506 8.157 1.00 0.00 C ATOM 528 NE ARG A 33 -13.842 -4.814 9.402 1.00 0.00 N ATOM 529 CZ ARG A 33 -13.439 -5.432 10.511 1.00 0.00 C ATOM 530 NH1 ARG A 33 -13.312 -6.753 10.535 1.00 0.00 N ATOM 531 NH2 ARG A 33 -13.163 -4.726 11.599 1.00 0.00 N ATOM 0 H ARG A 33 -17.714 -3.915 5.413 1.00 0.00 H new ATOM 0 HA ARG A 33 -15.124 -3.170 4.646 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -15.815 -3.258 6.960 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -16.226 -4.957 6.841 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -13.581 -5.046 6.142 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -13.575 -3.666 7.221 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -15.157 -5.951 8.236 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -13.461 -6.323 8.003 1.00 0.00 H new ATOM 0 HE ARG A 33 -13.930 -3.798 9.423 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -13.523 -7.301 9.701 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -13.003 -7.220 11.387 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -13.259 -3.711 11.586 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -12.854 -5.198 12.449 1.00 0.00 H new ATOM 545 N SER A 34 -15.896 -6.297 4.084 1.00 0.00 N ATOM 546 CA SER A 34 -15.460 -7.519 3.421 1.00 0.00 C ATOM 547 C SER A 34 -15.353 -7.306 1.915 1.00 0.00 C ATOM 548 O SER A 34 -14.329 -7.617 1.304 1.00 0.00 O ATOM 549 CB SER A 34 -16.437 -8.658 3.721 1.00 0.00 C ATOM 550 OG SER A 34 -15.929 -9.901 3.269 1.00 0.00 O ATOM 0 H SER A 34 -16.869 -6.308 4.389 1.00 0.00 H new ATOM 0 HA SER A 34 -14.475 -7.785 3.803 1.00 0.00 H new ATOM 0 HB2 SER A 34 -16.624 -8.707 4.794 1.00 0.00 H new ATOM 0 HB3 SER A 34 -17.394 -8.456 3.239 1.00 0.00 H new ATOM 0 HG SER A 34 -16.572 -10.611 3.475 1.00 0.00 H new ATOM 556 N SER A 35 -16.416 -6.774 1.323 1.00 0.00 N ATOM 557 CA SER A 35 -16.447 -6.520 -0.111 1.00 0.00 C ATOM 558 C SER A 35 -15.401 -5.483 -0.509 1.00 0.00 C ATOM 559 O SER A 35 -14.554 -5.742 -1.364 1.00 0.00 O ATOM 560 CB SER A 35 -17.837 -6.050 -0.540 1.00 0.00 C ATOM 561 OG SER A 35 -18.503 -5.390 0.522 1.00 0.00 O ATOM 0 H SER A 35 -17.269 -6.510 1.816 1.00 0.00 H new ATOM 0 HA SER A 35 -16.214 -7.455 -0.621 1.00 0.00 H new ATOM 0 HB2 SER A 35 -17.749 -5.377 -1.393 1.00 0.00 H new ATOM 0 HB3 SER A 35 -18.428 -6.905 -0.868 1.00 0.00 H new ATOM 0 HG SER A 35 -19.389 -5.098 0.221 1.00 0.00 H new ATOM 567 N VAL A 36 -15.464 -4.306 0.108 1.00 0.00 N ATOM 568 CA VAL A 36 -14.515 -3.242 -0.199 1.00 0.00 C ATOM 569 C VAL A 36 -13.090 -3.677 0.113 1.00 0.00 C ATOM 570 O VAL A 36 -12.171 -3.413 -0.660 1.00 0.00 O ATOM 571 CB VAL A 36 -14.813 -1.937 0.566 1.00 0.00 C ATOM 572 CG1 VAL A 36 -14.087 -0.778 -0.094 1.00 0.00 C ATOM 573 CG2 VAL A 36 -16.310 -1.666 0.635 1.00 0.00 C ATOM 0 H VAL A 36 -16.156 -4.067 0.818 1.00 0.00 H new ATOM 0 HA VAL A 36 -14.623 -3.044 -1.266 1.00 0.00 H new ATOM 0 HB VAL A 36 -14.453 -2.046 1.589 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -14.300 0.142 0.450 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -13.013 -0.966 -0.081 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -14.425 -0.677 -1.125 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -16.487 -0.739 1.181 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -16.710 -1.575 -0.375 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -16.806 -2.490 1.149 1.00 0.00 H new ATOM 583 N GLY A 37 -12.908 -4.355 1.243 1.00 0.00 N ATOM 584 CA GLY A 37 -11.583 -4.821 1.614 1.00 0.00 C ATOM 585 C GLY A 37 -10.929 -5.591 0.487 1.00 0.00 C ATOM 586 O GLY A 37 -9.796 -5.301 0.101 1.00 0.00 O ATOM 0 H GLY A 37 -13.649 -4.589 1.904 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -10.959 -3.969 1.884 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -11.654 -5.456 2.497 1.00 0.00 H new ATOM 590 N GLN A 38 -11.655 -6.560 -0.058 1.00 0.00 N ATOM 591 CA GLN A 38 -11.149 -7.354 -1.167 1.00 0.00 C ATOM 592 C GLN A 38 -10.911 -6.450 -2.372 1.00 0.00 C ATOM 593 O GLN A 38 -9.990 -6.672 -3.158 1.00 0.00 O ATOM 594 CB GLN A 38 -12.140 -8.467 -1.521 1.00 0.00 C ATOM 595 CG GLN A 38 -11.805 -9.205 -2.808 1.00 0.00 C ATOM 596 CD GLN A 38 -10.461 -9.904 -2.747 1.00 0.00 C ATOM 597 OE1 GLN A 38 -9.438 -9.341 -3.134 1.00 0.00 O ATOM 598 NE2 GLN A 38 -10.458 -11.139 -2.260 1.00 0.00 N ATOM 0 H GLN A 38 -12.594 -6.813 0.250 1.00 0.00 H new ATOM 0 HA GLN A 38 -10.206 -7.817 -0.876 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -12.174 -9.184 -0.701 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -13.138 -8.037 -1.610 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -12.583 -9.940 -3.014 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -11.806 -8.499 -3.638 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -11.330 -11.567 -1.950 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -9.583 -11.660 -2.195 1.00 0.00 H new ATOM 607 N PHE A 39 -11.742 -5.418 -2.495 1.00 0.00 N ATOM 608 CA PHE A 39 -11.620 -4.462 -3.585 1.00 0.00 C ATOM 609 C PHE A 39 -10.333 -3.663 -3.439 1.00 0.00 C ATOM 610 O PHE A 39 -9.648 -3.370 -4.421 1.00 0.00 O ATOM 611 CB PHE A 39 -12.823 -3.517 -3.605 1.00 0.00 C ATOM 612 CG PHE A 39 -12.824 -2.571 -4.771 1.00 0.00 C ATOM 613 CD1 PHE A 39 -12.877 -3.053 -6.070 1.00 0.00 C ATOM 614 CD2 PHE A 39 -12.772 -1.202 -4.570 1.00 0.00 C ATOM 615 CE1 PHE A 39 -12.878 -2.184 -7.146 1.00 0.00 C ATOM 616 CE2 PHE A 39 -12.772 -0.329 -5.641 1.00 0.00 C ATOM 617 CZ PHE A 39 -12.825 -0.821 -6.931 1.00 0.00 C ATOM 0 H PHE A 39 -12.508 -5.225 -1.850 1.00 0.00 H new ATOM 0 HA PHE A 39 -11.592 -5.011 -4.526 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -13.739 -4.108 -3.626 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -12.837 -2.941 -2.680 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -12.918 -4.118 -6.243 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -12.731 -0.812 -3.564 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -12.920 -2.571 -8.153 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -12.731 0.737 -5.470 1.00 0.00 H new ATOM 0 HZ PHE A 39 -12.825 -0.141 -7.770 1.00 0.00 H new ATOM 627 N MET A 40 -10.009 -3.321 -2.197 1.00 0.00 N ATOM 628 CA MET A 40 -8.807 -2.560 -1.897 1.00 0.00 C ATOM 629 C MET A 40 -7.557 -3.315 -2.335 1.00 0.00 C ATOM 630 O MET A 40 -6.780 -2.829 -3.156 1.00 0.00 O ATOM 631 CB MET A 40 -8.736 -2.263 -0.399 1.00 0.00 C ATOM 632 CG MET A 40 -9.665 -1.145 0.047 1.00 0.00 C ATOM 633 SD MET A 40 -9.324 0.419 -0.785 1.00 0.00 S ATOM 634 CE MET A 40 -10.968 1.127 -0.855 1.00 0.00 C ATOM 0 H MET A 40 -10.568 -3.562 -1.378 1.00 0.00 H new ATOM 0 HA MET A 40 -8.852 -1.622 -2.450 1.00 0.00 H new ATOM 0 HB2 MET A 40 -8.981 -3.170 0.154 1.00 0.00 H new ATOM 0 HB3 MET A 40 -7.711 -1.998 -0.138 1.00 0.00 H new ATOM 0 HG2 MET A 40 -10.697 -1.437 -0.147 1.00 0.00 H new ATOM 0 HG3 MET A 40 -9.570 -1.007 1.124 1.00 0.00 H new ATOM 0 HE1 MET A 40 -10.898 2.214 -0.807 1.00 0.00 H new ATOM 0 HE2 MET A 40 -11.451 0.835 -1.788 1.00 0.00 H new ATOM 0 HE3 MET A 40 -11.557 0.764 -0.013 1.00 0.00 H new ATOM 644 N THR A 41 -7.370 -4.505 -1.778 1.00 0.00 N ATOM 645 CA THR A 41 -6.211 -5.328 -2.104 1.00 0.00 C ATOM 646 C THR A 41 -6.195 -5.695 -3.581 1.00 0.00 C ATOM 647 O THR A 41 -5.252 -5.369 -4.286 1.00 0.00 O ATOM 648 CB THR A 41 -6.203 -6.598 -1.251 1.00 0.00 C ATOM 649 OG1 THR A 41 -6.815 -6.371 0.008 1.00 0.00 O ATOM 650 CG2 THR A 41 -4.813 -7.141 -0.996 1.00 0.00 C ATOM 0 H THR A 41 -8.006 -4.922 -1.098 1.00 0.00 H new ATOM 0 HA THR A 41 -5.316 -4.745 -1.886 1.00 0.00 H new ATOM 0 HB THR A 41 -6.763 -7.332 -1.831 1.00 0.00 H new ATOM 0 HG1 THR A 41 -6.451 -5.552 0.406 1.00 0.00 H new ATOM 0 HG21 THR A 41 -4.880 -8.041 -0.385 1.00 0.00 H new ATOM 0 HG22 THR A 41 -4.336 -7.382 -1.946 1.00 0.00 H new ATOM 0 HG23 THR A 41 -4.220 -6.391 -0.472 1.00 0.00 H new ATOM 658 N PHE A 42 -7.242 -6.376 -4.047 1.00 0.00 N ATOM 659 CA PHE A 42 -7.334 -6.782 -5.452 1.00 0.00 C ATOM 660 C PHE A 42 -6.791 -5.689 -6.372 1.00 0.00 C ATOM 661 O PHE A 42 -5.984 -5.951 -7.267 1.00 0.00 O ATOM 662 CB PHE A 42 -8.785 -7.098 -5.818 1.00 0.00 C ATOM 663 CG PHE A 42 -8.929 -7.851 -7.109 1.00 0.00 C ATOM 664 CD1 PHE A 42 -8.734 -7.214 -8.324 1.00 0.00 C ATOM 665 CD2 PHE A 42 -9.259 -9.198 -7.108 1.00 0.00 C ATOM 666 CE1 PHE A 42 -8.867 -7.904 -9.513 1.00 0.00 C ATOM 667 CE2 PHE A 42 -9.393 -9.893 -8.295 1.00 0.00 C ATOM 668 CZ PHE A 42 -9.197 -9.246 -9.499 1.00 0.00 C ATOM 0 H PHE A 42 -8.038 -6.658 -3.474 1.00 0.00 H new ATOM 0 HA PHE A 42 -6.729 -7.678 -5.586 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -9.235 -7.681 -5.015 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -9.345 -6.165 -5.887 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -8.475 -6.166 -8.341 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -9.413 -9.709 -6.169 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -8.713 -7.395 -10.453 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -9.651 -10.942 -8.281 1.00 0.00 H new ATOM 0 HZ PHE A 42 -9.301 -9.787 -10.428 1.00 0.00 H new ATOM 678 N PHE A 43 -7.224 -4.459 -6.127 1.00 0.00 N ATOM 679 CA PHE A 43 -6.770 -3.321 -6.912 1.00 0.00 C ATOM 680 C PHE A 43 -5.296 -3.054 -6.636 1.00 0.00 C ATOM 681 O PHE A 43 -4.533 -2.712 -7.537 1.00 0.00 O ATOM 682 CB PHE A 43 -7.604 -2.082 -6.579 1.00 0.00 C ATOM 683 CG PHE A 43 -7.997 -1.277 -7.783 1.00 0.00 C ATOM 684 CD1 PHE A 43 -8.444 -1.901 -8.936 1.00 0.00 C ATOM 685 CD2 PHE A 43 -7.920 0.106 -7.761 1.00 0.00 C ATOM 686 CE1 PHE A 43 -8.807 -1.162 -10.045 1.00 0.00 C ATOM 687 CE2 PHE A 43 -8.281 0.851 -8.867 1.00 0.00 C ATOM 688 CZ PHE A 43 -8.725 0.216 -10.010 1.00 0.00 C ATOM 0 H PHE A 43 -7.889 -4.225 -5.390 1.00 0.00 H new ATOM 0 HA PHE A 43 -6.895 -3.550 -7.970 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -8.505 -2.393 -6.051 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -7.038 -1.447 -5.897 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -8.509 -2.979 -8.968 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -7.574 0.607 -6.869 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -9.154 -1.661 -10.938 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -8.216 1.929 -8.838 1.00 0.00 H new ATOM 0 HZ PHE A 43 -9.008 0.797 -10.876 1.00 0.00 H new ATOM 698 N ALA A 44 -4.910 -3.224 -5.375 1.00 0.00 N ATOM 699 CA ALA A 44 -3.531 -3.018 -4.945 1.00 0.00 C ATOM 700 C ALA A 44 -2.593 -4.043 -5.577 1.00 0.00 C ATOM 701 O ALA A 44 -1.582 -3.693 -6.184 1.00 0.00 O ATOM 702 CB ALA A 44 -3.445 -3.085 -3.430 1.00 0.00 C ATOM 0 H ALA A 44 -5.541 -3.507 -4.625 1.00 0.00 H new ATOM 0 HA ALA A 44 -3.215 -2.029 -5.278 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -2.412 -2.930 -3.117 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -4.076 -2.310 -2.995 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -3.785 -4.063 -3.089 1.00 0.00 H new ATOM 708 N GLU A 45 -2.933 -5.314 -5.444 1.00 0.00 N ATOM 709 CA GLU A 45 -2.126 -6.377 -6.019 1.00 0.00 C ATOM 710 C GLU A 45 -1.909 -6.103 -7.503 1.00 0.00 C ATOM 711 O GLU A 45 -0.819 -6.309 -8.035 1.00 0.00 O ATOM 712 CB GLU A 45 -2.812 -7.729 -5.821 1.00 0.00 C ATOM 713 CG GLU A 45 -4.245 -7.755 -6.320 1.00 0.00 C ATOM 714 CD GLU A 45 -4.846 -9.146 -6.299 1.00 0.00 C ATOM 715 OE1 GLU A 45 -4.473 -9.941 -5.411 1.00 0.00 O ATOM 716 OE2 GLU A 45 -5.690 -9.441 -7.171 1.00 0.00 O ATOM 0 H GLU A 45 -3.762 -5.635 -4.943 1.00 0.00 H new ATOM 0 HA GLU A 45 -1.159 -6.407 -5.516 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -2.240 -8.498 -6.340 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -2.799 -7.983 -4.761 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -4.852 -7.092 -5.704 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -4.278 -7.364 -7.337 1.00 0.00 H new ATOM 723 N THR A 46 -2.961 -5.614 -8.155 1.00 0.00 N ATOM 724 CA THR A 46 -2.896 -5.285 -9.572 1.00 0.00 C ATOM 725 C THR A 46 -1.836 -4.218 -9.830 1.00 0.00 C ATOM 726 O THR A 46 -0.933 -4.417 -10.643 1.00 0.00 O ATOM 727 CB THR A 46 -4.268 -4.803 -10.064 1.00 0.00 C ATOM 728 OG1 THR A 46 -5.066 -5.900 -10.471 1.00 0.00 O ATOM 729 CG2 THR A 46 -4.197 -3.834 -11.229 1.00 0.00 C ATOM 0 H THR A 46 -3.868 -5.438 -7.722 1.00 0.00 H new ATOM 0 HA THR A 46 -2.618 -6.183 -10.124 1.00 0.00 H new ATOM 0 HB THR A 46 -4.705 -4.282 -9.212 1.00 0.00 H new ATOM 0 HG1 THR A 46 -5.937 -5.574 -10.780 1.00 0.00 H new ATOM 0 HG21 THR A 46 -5.206 -3.539 -11.519 1.00 0.00 H new ATOM 0 HG22 THR A 46 -3.632 -2.950 -10.933 1.00 0.00 H new ATOM 0 HG23 THR A 46 -3.703 -4.315 -12.073 1.00 0.00 H new ATOM 737 N VAL A 47 -1.956 -3.079 -9.148 1.00 0.00 N ATOM 738 CA VAL A 47 -1.001 -1.986 -9.332 1.00 0.00 C ATOM 739 C VAL A 47 0.428 -2.492 -9.278 1.00 0.00 C ATOM 740 O VAL A 47 1.162 -2.396 -10.256 1.00 0.00 O ATOM 741 CB VAL A 47 -1.135 -0.847 -8.295 1.00 0.00 C ATOM 742 CG1 VAL A 47 -1.850 0.341 -8.879 1.00 0.00 C ATOM 743 CG2 VAL A 47 -1.823 -1.281 -7.020 1.00 0.00 C ATOM 0 H VAL A 47 -2.695 -2.890 -8.471 1.00 0.00 H new ATOM 0 HA VAL A 47 -1.240 -1.580 -10.315 1.00 0.00 H new ATOM 0 HB VAL A 47 -0.115 -0.564 -8.034 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -1.929 1.125 -8.126 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -1.291 0.716 -9.736 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -2.849 0.044 -9.199 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -1.885 -0.436 -6.334 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -2.827 -1.636 -7.251 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -1.253 -2.085 -6.554 1.00 0.00 H new ATOM 753 N ALA A 48 0.822 -3.043 -8.140 1.00 0.00 N ATOM 754 CA ALA A 48 2.169 -3.568 -8.006 1.00 0.00 C ATOM 755 C ALA A 48 2.462 -4.514 -9.167 1.00 0.00 C ATOM 756 O ALA A 48 3.600 -4.624 -9.625 1.00 0.00 O ATOM 757 CB ALA A 48 2.351 -4.247 -6.660 1.00 0.00 C ATOM 0 H ALA A 48 0.238 -3.137 -7.309 1.00 0.00 H new ATOM 0 HA ALA A 48 2.885 -2.747 -8.045 1.00 0.00 H new ATOM 0 HB1 ALA A 48 3.367 -4.633 -6.582 1.00 0.00 H new ATOM 0 HB2 ALA A 48 2.174 -3.526 -5.862 1.00 0.00 H new ATOM 0 HB3 ALA A 48 1.642 -5.070 -6.569 1.00 0.00 H new ATOM 763 N SER A 49 1.408 -5.164 -9.666 1.00 0.00 N ATOM 764 CA SER A 49 1.531 -6.062 -10.803 1.00 0.00 C ATOM 765 C SER A 49 1.842 -5.253 -12.060 1.00 0.00 C ATOM 766 O SER A 49 2.749 -5.591 -12.821 1.00 0.00 O ATOM 767 CB SER A 49 0.239 -6.867 -10.993 1.00 0.00 C ATOM 768 OG SER A 49 -0.519 -6.383 -12.090 1.00 0.00 O ATOM 0 H SER A 49 0.461 -5.081 -9.296 1.00 0.00 H new ATOM 0 HA SER A 49 2.345 -6.763 -10.617 1.00 0.00 H new ATOM 0 HB2 SER A 49 0.484 -7.917 -11.154 1.00 0.00 H new ATOM 0 HB3 SER A 49 -0.360 -6.815 -10.084 1.00 0.00 H new ATOM 0 HG SER A 49 -1.072 -5.628 -11.798 1.00 0.00 H new ATOM 774 N ARG A 50 1.089 -4.168 -12.262 1.00 0.00 N ATOM 775 CA ARG A 50 1.297 -3.300 -13.415 1.00 0.00 C ATOM 776 C ARG A 50 2.577 -2.500 -13.248 1.00 0.00 C ATOM 777 O ARG A 50 3.211 -2.108 -14.228 1.00 0.00 O ATOM 778 CB ARG A 50 0.115 -2.353 -13.623 1.00 0.00 C ATOM 779 CG ARG A 50 -0.242 -1.572 -12.378 1.00 0.00 C ATOM 780 CD ARG A 50 -1.255 -0.461 -12.636 1.00 0.00 C ATOM 781 NE ARG A 50 -1.391 -0.126 -14.056 1.00 0.00 N ATOM 782 CZ ARG A 50 -1.474 1.119 -14.524 1.00 0.00 C ATOM 783 NH1 ARG A 50 -1.455 2.158 -13.697 1.00 0.00 N ATOM 784 NH2 ARG A 50 -1.586 1.327 -15.830 1.00 0.00 N ATOM 0 H ARG A 50 0.334 -3.874 -11.643 1.00 0.00 H new ATOM 0 HA ARG A 50 1.381 -3.935 -14.297 1.00 0.00 H new ATOM 0 HB2 ARG A 50 0.352 -1.656 -14.427 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -0.753 -2.929 -13.945 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -0.645 -2.256 -11.631 1.00 0.00 H new ATOM 0 HG3 ARG A 50 0.665 -1.138 -11.957 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -2.226 -0.765 -12.246 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -0.955 0.431 -12.085 1.00 0.00 H new ATOM 0 HE ARG A 50 -1.424 -0.893 -14.728 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -1.376 2.008 -12.691 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -1.519 3.106 -14.068 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -1.608 0.535 -16.472 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -1.650 2.279 -16.191 1.00 0.00 H new ATOM 798 N THR A 51 2.964 -2.272 -11.998 1.00 0.00 N ATOM 799 CA THR A 51 4.176 -1.538 -11.711 1.00 0.00 C ATOM 800 C THR A 51 5.380 -2.434 -11.966 1.00 0.00 C ATOM 801 O THR A 51 5.648 -3.365 -11.206 1.00 0.00 O ATOM 802 CB THR A 51 4.158 -1.047 -10.261 1.00 0.00 C ATOM 803 OG1 THR A 51 3.075 -0.162 -10.055 1.00 0.00 O ATOM 804 CG2 THR A 51 5.424 -0.325 -9.853 1.00 0.00 C ATOM 0 H THR A 51 2.453 -2.587 -11.174 1.00 0.00 H new ATOM 0 HA THR A 51 4.242 -0.667 -12.363 1.00 0.00 H new ATOM 0 HB THR A 51 4.064 -1.945 -9.651 1.00 0.00 H new ATOM 0 HG1 THR A 51 2.233 -0.662 -10.090 1.00 0.00 H new ATOM 0 HG21 THR A 51 5.342 -0.005 -8.814 1.00 0.00 H new ATOM 0 HG22 THR A 51 6.276 -0.996 -9.960 1.00 0.00 H new ATOM 0 HG23 THR A 51 5.567 0.547 -10.491 1.00 0.00 H new ATOM 812 N GLY A 52 6.093 -2.156 -13.050 1.00 0.00 N ATOM 813 CA GLY A 52 7.252 -2.958 -13.406 1.00 0.00 C ATOM 814 C GLY A 52 8.506 -2.582 -12.638 1.00 0.00 C ATOM 815 O GLY A 52 9.601 -2.584 -13.199 1.00 0.00 O ATOM 0 H GLY A 52 5.891 -1.389 -13.691 1.00 0.00 H new ATOM 0 HA2 GLY A 52 7.026 -4.009 -13.226 1.00 0.00 H new ATOM 0 HA3 GLY A 52 7.444 -2.852 -14.474 1.00 0.00 H new ATOM 819 N ALA A 53 8.353 -2.272 -11.356 1.00 0.00 N ATOM 820 CA ALA A 53 9.489 -1.906 -10.516 1.00 0.00 C ATOM 821 C ALA A 53 10.192 -0.658 -11.039 1.00 0.00 C ATOM 822 O ALA A 53 10.404 -0.507 -12.242 1.00 0.00 O ATOM 823 CB ALA A 53 10.471 -3.061 -10.427 1.00 0.00 C ATOM 0 H ALA A 53 7.454 -2.267 -10.875 1.00 0.00 H new ATOM 0 HA ALA A 53 9.107 -1.683 -9.520 1.00 0.00 H new ATOM 0 HB1 ALA A 53 11.314 -2.775 -9.798 1.00 0.00 H new ATOM 0 HB2 ALA A 53 9.973 -3.929 -9.994 1.00 0.00 H new ATOM 0 HB3 ALA A 53 10.832 -3.310 -11.425 1.00 0.00 H new ATOM 829 N GLY A 54 10.552 0.237 -10.125 1.00 0.00 N ATOM 830 CA GLY A 54 11.225 1.460 -10.512 1.00 0.00 C ATOM 831 C GLY A 54 10.262 2.519 -11.005 1.00 0.00 C ATOM 832 O GLY A 54 10.673 3.627 -11.351 1.00 0.00 O ATOM 0 H GLY A 54 10.389 0.136 -9.123 1.00 0.00 H new ATOM 0 HA2 GLY A 54 11.783 1.849 -9.661 1.00 0.00 H new ATOM 0 HA3 GLY A 54 11.950 1.240 -11.295 1.00 0.00 H new ATOM 836 N GLU A 55 8.975 2.183 -11.041 1.00 0.00 N ATOM 837 CA GLU A 55 7.960 3.120 -11.497 1.00 0.00 C ATOM 838 C GLU A 55 6.818 3.227 -10.492 1.00 0.00 C ATOM 839 O GLU A 55 6.578 2.310 -9.707 1.00 0.00 O ATOM 840 CB GLU A 55 7.416 2.690 -12.862 1.00 0.00 C ATOM 841 CG GLU A 55 8.501 2.410 -13.888 1.00 0.00 C ATOM 842 CD GLU A 55 9.463 3.571 -14.051 1.00 0.00 C ATOM 843 OE1 GLU A 55 8.991 4.711 -14.247 1.00 0.00 O ATOM 844 OE2 GLU A 55 10.688 3.340 -13.982 1.00 0.00 O ATOM 0 H GLU A 55 8.614 1.271 -10.760 1.00 0.00 H new ATOM 0 HA GLU A 55 8.426 4.101 -11.590 1.00 0.00 H new ATOM 0 HB2 GLU A 55 6.807 1.795 -12.736 1.00 0.00 H new ATOM 0 HB3 GLU A 55 6.759 3.471 -13.244 1.00 0.00 H new ATOM 0 HG2 GLU A 55 9.057 1.521 -13.590 1.00 0.00 H new ATOM 0 HG3 GLU A 55 8.038 2.189 -14.850 1.00 0.00 H new ATOM 851 N ARG A 56 6.117 4.356 -10.524 1.00 0.00 N ATOM 852 CA ARG A 56 4.997 4.591 -9.618 1.00 0.00 C ATOM 853 C ARG A 56 3.672 4.517 -10.369 1.00 0.00 C ATOM 854 O ARG A 56 3.625 4.716 -11.583 1.00 0.00 O ATOM 855 CB ARG A 56 5.138 5.957 -8.944 1.00 0.00 C ATOM 856 CG ARG A 56 6.363 6.074 -8.052 1.00 0.00 C ATOM 857 CD ARG A 56 7.037 7.427 -8.204 1.00 0.00 C ATOM 858 NE ARG A 56 7.807 7.519 -9.443 1.00 0.00 N ATOM 859 CZ ARG A 56 9.027 7.010 -9.598 1.00 0.00 C ATOM 860 NH1 ARG A 56 9.622 6.376 -8.595 1.00 0.00 N ATOM 861 NH2 ARG A 56 9.655 7.136 -10.759 1.00 0.00 N ATOM 0 H ARG A 56 6.305 5.124 -11.169 1.00 0.00 H new ATOM 0 HA ARG A 56 5.008 3.814 -8.853 1.00 0.00 H new ATOM 0 HB2 ARG A 56 5.184 6.729 -9.713 1.00 0.00 H new ATOM 0 HB3 ARG A 56 4.246 6.153 -8.349 1.00 0.00 H new ATOM 0 HG2 ARG A 56 6.072 5.926 -7.012 1.00 0.00 H new ATOM 0 HG3 ARG A 56 7.072 5.284 -8.300 1.00 0.00 H new ATOM 0 HD2 ARG A 56 6.281 8.212 -8.188 1.00 0.00 H new ATOM 0 HD3 ARG A 56 7.696 7.601 -7.354 1.00 0.00 H new ATOM 0 HE ARG A 56 7.384 8.002 -10.236 1.00 0.00 H new ATOM 0 HH11 ARG A 56 9.144 6.277 -7.699 1.00 0.00 H new ATOM 0 HH12 ARG A 56 10.557 5.988 -8.720 1.00 0.00 H new ATOM 0 HH21 ARG A 56 9.203 7.623 -11.533 1.00 0.00 H new ATOM 0 HH22 ARG A 56 10.590 6.746 -10.878 1.00 0.00 H new ATOM 875 N GLN A 57 2.597 4.233 -9.642 1.00 0.00 N ATOM 876 CA GLN A 57 1.272 4.136 -10.254 1.00 0.00 C ATOM 877 C GLN A 57 0.191 4.747 -9.370 1.00 0.00 C ATOM 878 O GLN A 57 0.195 4.584 -8.154 1.00 0.00 O ATOM 879 CB GLN A 57 0.910 2.675 -10.554 1.00 0.00 C ATOM 880 CG GLN A 57 1.914 1.970 -11.450 1.00 0.00 C ATOM 881 CD GLN A 57 1.862 2.459 -12.884 1.00 0.00 C ATOM 882 OE1 GLN A 57 1.534 3.617 -13.145 1.00 0.00 O ATOM 883 NE2 GLN A 57 2.183 1.577 -13.824 1.00 0.00 N ATOM 0 H GLN A 57 2.613 4.067 -8.636 1.00 0.00 H new ATOM 0 HA GLN A 57 1.318 4.699 -11.186 1.00 0.00 H new ATOM 0 HB2 GLN A 57 0.829 2.129 -9.614 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -0.072 2.643 -11.027 1.00 0.00 H new ATOM 0 HG2 GLN A 57 2.918 2.123 -11.054 1.00 0.00 H new ATOM 0 HG3 GLN A 57 1.723 0.897 -11.429 1.00 0.00 H new ATOM 0 HE21 GLN A 57 2.449 0.628 -13.563 1.00 0.00 H new ATOM 0 HE22 GLN A 57 2.164 1.849 -14.807 1.00 0.00 H new ATOM 892 N SER A 58 -0.756 5.427 -10.000 1.00 0.00 N ATOM 893 CA SER A 58 -1.866 6.030 -9.294 1.00 0.00 C ATOM 894 C SER A 58 -3.163 5.639 -9.991 1.00 0.00 C ATOM 895 O SER A 58 -3.499 6.170 -11.050 1.00 0.00 O ATOM 896 CB SER A 58 -1.721 7.553 -9.251 1.00 0.00 C ATOM 897 OG SER A 58 -1.023 8.032 -10.387 1.00 0.00 O ATOM 0 H SER A 58 -0.773 5.573 -11.009 1.00 0.00 H new ATOM 0 HA SER A 58 -1.878 5.669 -8.266 1.00 0.00 H new ATOM 0 HB2 SER A 58 -2.708 8.014 -9.206 1.00 0.00 H new ATOM 0 HB3 SER A 58 -1.191 7.845 -8.345 1.00 0.00 H new ATOM 0 HG SER A 58 -0.945 9.008 -10.336 1.00 0.00 H new ATOM 903 N ILE A 59 -3.871 4.691 -9.400 1.00 0.00 N ATOM 904 CA ILE A 59 -5.125 4.196 -9.970 1.00 0.00 C ATOM 905 C ILE A 59 -6.307 5.018 -9.483 1.00 0.00 C ATOM 906 O ILE A 59 -6.745 4.883 -8.343 1.00 0.00 O ATOM 907 CB ILE A 59 -5.367 2.701 -9.635 1.00 0.00 C ATOM 908 CG1 ILE A 59 -4.303 2.191 -8.670 1.00 0.00 C ATOM 909 CG2 ILE A 59 -5.364 1.858 -10.900 1.00 0.00 C ATOM 910 CD1 ILE A 59 -4.630 0.857 -8.050 1.00 0.00 C ATOM 0 H ILE A 59 -3.603 4.244 -8.523 1.00 0.00 H new ATOM 0 HA ILE A 59 -5.035 4.295 -11.052 1.00 0.00 H new ATOM 0 HB ILE A 59 -6.345 2.616 -9.161 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -3.354 2.111 -9.200 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -4.164 2.925 -7.876 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -5.535 0.813 -10.641 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -6.154 2.201 -11.568 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -4.400 1.955 -11.399 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -3.826 0.562 -7.376 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -5.562 0.935 -7.490 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -4.739 0.108 -8.834 1.00 0.00 H new ATOM 922 N GLU A 60 -6.816 5.871 -10.361 1.00 0.00 N ATOM 923 CA GLU A 60 -7.948 6.728 -10.033 1.00 0.00 C ATOM 924 C GLU A 60 -9.272 6.013 -10.281 1.00 0.00 C ATOM 925 O GLU A 60 -9.665 5.792 -11.426 1.00 0.00 O ATOM 926 CB GLU A 60 -7.891 8.016 -10.856 1.00 0.00 C ATOM 927 CG GLU A 60 -8.623 9.183 -10.212 1.00 0.00 C ATOM 928 CD GLU A 60 -8.477 10.468 -11.002 1.00 0.00 C ATOM 929 OE1 GLU A 60 -7.333 10.819 -11.360 1.00 0.00 O ATOM 930 OE2 GLU A 60 -9.507 11.123 -11.265 1.00 0.00 O ATOM 0 H GLU A 60 -6.461 5.989 -11.310 1.00 0.00 H new ATOM 0 HA GLU A 60 -7.886 6.974 -8.973 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -6.848 8.293 -11.010 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -8.320 7.828 -11.840 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -9.681 8.937 -10.118 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -8.240 9.335 -9.203 1.00 0.00 H new ATOM 937 N GLU A 61 -9.956 5.664 -9.200 1.00 0.00 N ATOM 938 CA GLU A 61 -11.242 4.983 -9.291 1.00 0.00 C ATOM 939 C GLU A 61 -12.383 5.993 -9.233 1.00 0.00 C ATOM 940 O GLU A 61 -12.157 7.180 -8.996 1.00 0.00 O ATOM 941 CB GLU A 61 -11.385 3.959 -8.163 1.00 0.00 C ATOM 942 CG GLU A 61 -11.698 2.554 -8.653 1.00 0.00 C ATOM 943 CD GLU A 61 -13.186 2.258 -8.659 1.00 0.00 C ATOM 944 OE1 GLU A 61 -13.803 2.295 -7.574 1.00 0.00 O ATOM 945 OE2 GLU A 61 -13.732 1.988 -9.750 1.00 0.00 O ATOM 0 H GLU A 61 -9.641 5.842 -8.246 1.00 0.00 H new ATOM 0 HA GLU A 61 -11.288 4.459 -10.245 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -10.461 3.936 -7.585 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -12.176 4.284 -7.487 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -11.302 2.428 -9.661 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -11.189 1.829 -8.017 1.00 0.00 H new ATOM 952 N GLY A 62 -13.607 5.519 -9.452 1.00 0.00 N ATOM 953 CA GLY A 62 -14.768 6.396 -9.421 1.00 0.00 C ATOM 954 C GLY A 62 -14.730 7.383 -8.268 1.00 0.00 C ATOM 955 O GLY A 62 -15.265 8.487 -8.368 1.00 0.00 O ATOM 0 H GLY A 62 -13.817 4.541 -9.651 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -14.828 6.945 -10.361 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -15.672 5.792 -9.346 1.00 0.00 H new ATOM 959 N ASN A 63 -14.090 6.986 -7.172 1.00 0.00 N ATOM 960 CA ASN A 63 -13.977 7.843 -5.997 1.00 0.00 C ATOM 961 C ASN A 63 -12.841 7.377 -5.091 1.00 0.00 C ATOM 962 O ASN A 63 -12.887 7.565 -3.875 1.00 0.00 O ATOM 963 CB ASN A 63 -15.297 7.854 -5.221 1.00 0.00 C ATOM 964 CG ASN A 63 -15.748 9.257 -4.868 1.00 0.00 C ATOM 965 OD1 ASN A 63 -15.778 10.146 -5.720 1.00 0.00 O ATOM 966 ND2 ASN A 63 -16.103 9.465 -3.606 1.00 0.00 N ATOM 0 H ASN A 63 -13.641 6.075 -7.073 1.00 0.00 H new ATOM 0 HA ASN A 63 -13.754 8.855 -6.334 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -16.069 7.366 -5.816 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -15.183 7.271 -4.307 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -16.416 10.390 -3.310 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -16.063 8.700 -2.932 1.00 0.00 H new ATOM 973 N TYR A 64 -11.823 6.763 -5.690 1.00 0.00 N ATOM 974 CA TYR A 64 -10.677 6.266 -4.934 1.00 0.00 C ATOM 975 C TYR A 64 -9.380 6.432 -5.722 1.00 0.00 C ATOM 976 O TYR A 64 -9.395 6.725 -6.917 1.00 0.00 O ATOM 977 CB TYR A 64 -10.861 4.781 -4.596 1.00 0.00 C ATOM 978 CG TYR A 64 -12.074 4.471 -3.745 1.00 0.00 C ATOM 979 CD1 TYR A 64 -13.360 4.580 -4.259 1.00 0.00 C ATOM 980 CD2 TYR A 64 -11.929 4.055 -2.426 1.00 0.00 C ATOM 981 CE1 TYR A 64 -14.466 4.285 -3.484 1.00 0.00 C ATOM 982 CE2 TYR A 64 -13.031 3.758 -1.645 1.00 0.00 C ATOM 983 CZ TYR A 64 -14.296 3.875 -2.180 1.00 0.00 C ATOM 984 OH TYR A 64 -15.397 3.583 -1.407 1.00 0.00 O ATOM 0 H TYR A 64 -11.769 6.598 -6.695 1.00 0.00 H new ATOM 0 HA TYR A 64 -10.615 6.851 -4.017 1.00 0.00 H new ATOM 0 HB2 TYR A 64 -10.933 4.217 -5.526 1.00 0.00 H new ATOM 0 HB3 TYR A 64 -9.970 4.428 -4.077 1.00 0.00 H new ATOM 0 HD1 TYR A 64 -13.498 4.901 -5.281 1.00 0.00 H new ATOM 0 HD2 TYR A 64 -10.939 3.962 -2.004 1.00 0.00 H new ATOM 0 HE1 TYR A 64 -15.459 4.376 -3.899 1.00 0.00 H new ATOM 0 HE2 TYR A 64 -12.901 3.436 -0.622 1.00 0.00 H new ATOM 0 HH TYR A 64 -15.187 3.746 -0.464 1.00 0.00 H new ATOM 994 N ILE A 65 -8.260 6.206 -5.042 1.00 0.00 N ATOM 995 CA ILE A 65 -6.942 6.286 -5.661 1.00 0.00 C ATOM 996 C ILE A 65 -6.077 5.141 -5.170 1.00 0.00 C ATOM 997 O ILE A 65 -6.174 4.733 -4.015 1.00 0.00 O ATOM 998 CB ILE A 65 -6.197 7.606 -5.350 1.00 0.00 C ATOM 999 CG1 ILE A 65 -6.763 8.759 -6.179 1.00 0.00 C ATOM 1000 CG2 ILE A 65 -4.697 7.443 -5.623 1.00 0.00 C ATOM 1001 CD1 ILE A 65 -5.839 9.957 -6.238 1.00 0.00 C ATOM 0 H ILE A 65 -8.240 5.963 -4.051 1.00 0.00 H new ATOM 0 HA ILE A 65 -7.110 6.237 -6.737 1.00 0.00 H new ATOM 0 HB ILE A 65 -6.342 7.841 -4.295 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -6.959 8.408 -7.192 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -7.720 9.066 -5.758 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -4.183 8.378 -5.401 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -4.296 6.650 -4.992 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -4.544 7.185 -6.671 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -6.298 10.741 -6.841 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -5.663 10.331 -5.229 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -4.890 9.663 -6.686 1.00 0.00 H new ATOM 1013 N GLY A 66 -5.211 4.649 -6.041 1.00 0.00 N ATOM 1014 CA GLY A 66 -4.320 3.577 -5.660 1.00 0.00 C ATOM 1015 C GLY A 66 -2.885 3.901 -5.985 1.00 0.00 C ATOM 1016 O GLY A 66 -2.320 3.387 -6.950 1.00 0.00 O ATOM 0 H GLY A 66 -5.110 4.973 -7.003 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -4.417 3.386 -4.591 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -4.612 2.661 -6.175 1.00 0.00 H new ATOM 1020 N HIS A 67 -2.293 4.767 -5.173 1.00 0.00 N ATOM 1021 CA HIS A 67 -0.917 5.169 -5.377 1.00 0.00 C ATOM 1022 C HIS A 67 0.002 3.953 -5.399 1.00 0.00 C ATOM 1023 O HIS A 67 -0.361 2.880 -4.916 1.00 0.00 O ATOM 1024 CB HIS A 67 -0.475 6.148 -4.289 1.00 0.00 C ATOM 1025 CG HIS A 67 -1.321 7.380 -4.219 1.00 0.00 C ATOM 1026 ND1 HIS A 67 -1.109 8.488 -5.012 1.00 0.00 N ATOM 1027 CD2 HIS A 67 -2.391 7.673 -3.444 1.00 0.00 C ATOM 1028 CE1 HIS A 67 -2.012 9.410 -4.727 1.00 0.00 C ATOM 1029 NE2 HIS A 67 -2.801 8.939 -3.779 1.00 0.00 N ATOM 0 H HIS A 67 -2.747 5.201 -4.370 1.00 0.00 H new ATOM 0 HA HIS A 67 -0.850 5.670 -6.343 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -0.501 5.643 -3.324 1.00 0.00 H new ATOM 0 HB3 HIS A 67 0.560 6.437 -4.469 1.00 0.00 H new ATOM 0 HD2 HIS A 67 -2.839 7.030 -2.700 1.00 0.00 H new ATOM 0 HE1 HIS A 67 -2.091 10.382 -5.190 1.00 0.00 H new ATOM 0 HE2 HIS A 67 -3.588 9.436 -3.363 1.00 0.00 H new ATOM 1038 N VAL A 68 1.183 4.121 -5.975 1.00 0.00 N ATOM 1039 CA VAL A 68 2.146 3.035 -6.075 1.00 0.00 C ATOM 1040 C VAL A 68 3.565 3.585 -6.121 1.00 0.00 C ATOM 1041 O VAL A 68 3.842 4.555 -6.826 1.00 0.00 O ATOM 1042 CB VAL A 68 1.857 2.174 -7.336 1.00 0.00 C ATOM 1043 CG1 VAL A 68 3.118 1.743 -8.068 1.00 0.00 C ATOM 1044 CG2 VAL A 68 1.038 0.953 -6.977 1.00 0.00 C ATOM 0 H VAL A 68 1.498 5.002 -6.381 1.00 0.00 H new ATOM 0 HA VAL A 68 2.050 2.403 -5.192 1.00 0.00 H new ATOM 0 HB VAL A 68 1.291 2.814 -8.013 1.00 0.00 H new ATOM 0 HG11 VAL A 68 2.847 1.145 -8.938 1.00 0.00 H new ATOM 0 HG12 VAL A 68 3.671 2.625 -8.391 1.00 0.00 H new ATOM 0 HG13 VAL A 68 3.742 1.149 -7.400 1.00 0.00 H new ATOM 0 HG21 VAL A 68 0.848 0.365 -7.875 1.00 0.00 H new ATOM 0 HG22 VAL A 68 1.586 0.347 -6.256 1.00 0.00 H new ATOM 0 HG23 VAL A 68 0.089 1.266 -6.541 1.00 0.00 H new ATOM 1054 N TYR A 69 4.464 2.951 -5.380 1.00 0.00 N ATOM 1055 CA TYR A 69 5.854 3.376 -5.355 1.00 0.00 C ATOM 1056 C TYR A 69 6.783 2.171 -5.389 1.00 0.00 C ATOM 1057 O TYR A 69 6.851 1.392 -4.434 1.00 0.00 O ATOM 1058 CB TYR A 69 6.137 4.232 -4.121 1.00 0.00 C ATOM 1059 CG TYR A 69 6.466 5.670 -4.450 1.00 0.00 C ATOM 1060 CD1 TYR A 69 5.455 6.601 -4.662 1.00 0.00 C ATOM 1061 CD2 TYR A 69 7.783 6.098 -4.552 1.00 0.00 C ATOM 1062 CE1 TYR A 69 5.750 7.917 -4.965 1.00 0.00 C ATOM 1063 CE2 TYR A 69 8.086 7.410 -4.855 1.00 0.00 C ATOM 1064 CZ TYR A 69 7.066 8.316 -5.062 1.00 0.00 C ATOM 1065 OH TYR A 69 7.363 9.626 -5.364 1.00 0.00 O ATOM 0 H TYR A 69 4.256 2.144 -4.791 1.00 0.00 H new ATOM 0 HA TYR A 69 6.040 3.981 -6.242 1.00 0.00 H new ATOM 0 HB2 TYR A 69 5.268 4.207 -3.464 1.00 0.00 H new ATOM 0 HB3 TYR A 69 6.968 3.795 -3.567 1.00 0.00 H new ATOM 0 HD1 TYR A 69 4.423 6.291 -4.589 1.00 0.00 H new ATOM 0 HD2 TYR A 69 8.584 5.392 -4.391 1.00 0.00 H new ATOM 0 HE1 TYR A 69 4.954 8.629 -5.125 1.00 0.00 H new ATOM 0 HE2 TYR A 69 9.116 7.726 -4.930 1.00 0.00 H new ATOM 0 HH TYR A 69 7.811 10.045 -4.599 1.00 0.00 H new ATOM 1075 N ALA A 70 7.490 2.022 -6.501 1.00 0.00 N ATOM 1076 CA ALA A 70 8.416 0.911 -6.672 1.00 0.00 C ATOM 1077 C ALA A 70 9.865 1.373 -6.573 1.00 0.00 C ATOM 1078 O ALA A 70 10.181 2.531 -6.846 1.00 0.00 O ATOM 1079 CB ALA A 70 8.171 0.223 -8.003 1.00 0.00 C ATOM 0 H ALA A 70 7.440 2.657 -7.298 1.00 0.00 H new ATOM 0 HA ALA A 70 8.238 0.199 -5.866 1.00 0.00 H new ATOM 0 HB1 ALA A 70 8.870 -0.606 -8.118 1.00 0.00 H new ATOM 0 HB2 ALA A 70 7.150 -0.157 -8.034 1.00 0.00 H new ATOM 0 HB3 ALA A 70 8.317 0.937 -8.814 1.00 0.00 H new ATOM 1085 N ARG A 71 10.743 0.454 -6.181 1.00 0.00 N ATOM 1086 CA ARG A 71 12.164 0.756 -6.045 1.00 0.00 C ATOM 1087 C ARG A 71 12.967 0.083 -7.153 1.00 0.00 C ATOM 1088 O ARG A 71 12.406 -0.582 -8.024 1.00 0.00 O ATOM 1089 CB ARG A 71 12.673 0.298 -4.675 1.00 0.00 C ATOM 1090 CG ARG A 71 13.295 1.415 -3.851 1.00 0.00 C ATOM 1091 CD ARG A 71 13.532 0.982 -2.414 1.00 0.00 C ATOM 1092 NE ARG A 71 14.540 1.806 -1.751 1.00 0.00 N ATOM 1093 CZ ARG A 71 14.298 3.019 -1.258 1.00 0.00 C ATOM 1094 NH1 ARG A 71 13.087 3.552 -1.355 1.00 0.00 N ATOM 1095 NH2 ARG A 71 15.271 3.700 -0.667 1.00 0.00 N ATOM 0 H ARG A 71 10.494 -0.508 -5.952 1.00 0.00 H new ATOM 0 HA ARG A 71 12.295 1.835 -6.130 1.00 0.00 H new ATOM 0 HB2 ARG A 71 11.844 -0.136 -4.116 1.00 0.00 H new ATOM 0 HB3 ARG A 71 13.411 -0.492 -4.816 1.00 0.00 H new ATOM 0 HG2 ARG A 71 14.240 1.718 -4.301 1.00 0.00 H new ATOM 0 HG3 ARG A 71 12.641 2.287 -3.866 1.00 0.00 H new ATOM 0 HD2 ARG A 71 12.595 1.039 -1.859 1.00 0.00 H new ATOM 0 HD3 ARG A 71 13.849 -0.061 -2.398 1.00 0.00 H new ATOM 0 HE ARG A 71 15.484 1.430 -1.661 1.00 0.00 H new ATOM 0 HH11 ARG A 71 12.336 3.032 -1.809 1.00 0.00 H new ATOM 0 HH12 ARG A 71 12.907 4.482 -0.976 1.00 0.00 H new ATOM 0 HH21 ARG A 71 16.204 3.294 -0.591 1.00 0.00 H new ATOM 0 HH22 ARG A 71 15.086 4.629 -0.289 1.00 0.00 H new ATOM 1109 N SER A 72 14.284 0.260 -7.117 1.00 0.00 N ATOM 1110 CA SER A 72 15.164 -0.330 -8.121 1.00 0.00 C ATOM 1111 C SER A 72 15.712 -1.675 -7.649 1.00 0.00 C ATOM 1112 O SER A 72 16.822 -2.065 -8.013 1.00 0.00 O ATOM 1113 CB SER A 72 16.320 0.620 -8.438 1.00 0.00 C ATOM 1114 OG SER A 72 17.253 0.664 -7.372 1.00 0.00 O ATOM 0 H SER A 72 14.766 0.807 -6.404 1.00 0.00 H new ATOM 0 HA SER A 72 14.578 -0.496 -9.025 1.00 0.00 H new ATOM 0 HB2 SER A 72 16.821 0.296 -9.350 1.00 0.00 H new ATOM 0 HB3 SER A 72 15.931 1.621 -8.626 1.00 0.00 H new ATOM 0 HG SER A 72 17.983 1.277 -7.601 1.00 0.00 H new ATOM 1120 N GLU A 73 14.929 -2.380 -6.837 1.00 0.00 N ATOM 1121 CA GLU A 73 15.339 -3.681 -6.319 1.00 0.00 C ATOM 1122 C GLU A 73 14.512 -4.803 -6.942 1.00 0.00 C ATOM 1123 O GLU A 73 15.006 -5.912 -7.143 1.00 0.00 O ATOM 1124 CB GLU A 73 15.199 -3.714 -4.796 1.00 0.00 C ATOM 1125 CG GLU A 73 15.883 -2.551 -4.096 1.00 0.00 C ATOM 1126 CD GLU A 73 17.394 -2.628 -4.179 1.00 0.00 C ATOM 1127 OE1 GLU A 73 17.924 -2.694 -5.309 1.00 0.00 O ATOM 1128 OE2 GLU A 73 18.049 -2.622 -3.116 1.00 0.00 O ATOM 0 H GLU A 73 14.008 -2.072 -6.524 1.00 0.00 H new ATOM 0 HA GLU A 73 16.385 -3.836 -6.585 1.00 0.00 H new ATOM 0 HB2 GLU A 73 14.140 -3.711 -4.537 1.00 0.00 H new ATOM 0 HB3 GLU A 73 15.616 -4.649 -4.421 1.00 0.00 H new ATOM 0 HG2 GLU A 73 15.546 -1.615 -4.541 1.00 0.00 H new ATOM 0 HG3 GLU A 73 15.581 -2.533 -3.049 1.00 0.00 H new ATOM 1135 N GLY A 74 13.252 -4.505 -7.245 1.00 0.00 N ATOM 1136 CA GLY A 74 12.377 -5.500 -7.841 1.00 0.00 C ATOM 1137 C GLY A 74 11.064 -5.644 -7.094 1.00 0.00 C ATOM 1138 O GLY A 74 10.072 -6.107 -7.656 1.00 0.00 O ATOM 0 H GLY A 74 12.821 -3.594 -7.089 1.00 0.00 H new ATOM 0 HA2 GLY A 74 12.174 -5.226 -8.876 1.00 0.00 H new ATOM 0 HA3 GLY A 74 12.888 -6.463 -7.860 1.00 0.00 H new ATOM 1142 N ILE A 75 11.059 -5.248 -5.825 1.00 0.00 N ATOM 1143 CA ILE A 75 9.857 -5.334 -5.002 1.00 0.00 C ATOM 1144 C ILE A 75 9.302 -3.940 -4.712 1.00 0.00 C ATOM 1145 O ILE A 75 10.015 -3.063 -4.224 1.00 0.00 O ATOM 1146 CB ILE A 75 10.131 -6.118 -3.683 1.00 0.00 C ATOM 1147 CG1 ILE A 75 9.186 -5.693 -2.547 1.00 0.00 C ATOM 1148 CG2 ILE A 75 11.585 -5.986 -3.253 1.00 0.00 C ATOM 1149 CD1 ILE A 75 9.830 -5.680 -1.170 1.00 0.00 C ATOM 0 H ILE A 75 11.873 -4.865 -5.344 1.00 0.00 H new ATOM 0 HA ILE A 75 9.103 -5.888 -5.561 1.00 0.00 H new ATOM 0 HB ILE A 75 9.931 -7.168 -3.895 1.00 0.00 H new ATOM 0 HG12 ILE A 75 8.800 -4.697 -2.764 1.00 0.00 H new ATOM 0 HG13 ILE A 75 8.331 -6.369 -2.529 1.00 0.00 H new ATOM 0 HG21 ILE A 75 11.744 -6.544 -2.330 1.00 0.00 H new ATOM 0 HG22 ILE A 75 12.233 -6.384 -4.034 1.00 0.00 H new ATOM 0 HG23 ILE A 75 11.821 -4.935 -3.087 1.00 0.00 H new ATOM 0 HD11 ILE A 75 9.095 -5.369 -0.428 1.00 0.00 H new ATOM 0 HD12 ILE A 75 10.191 -6.680 -0.927 1.00 0.00 H new ATOM 0 HD13 ILE A 75 10.667 -4.982 -1.166 1.00 0.00 H new ATOM 1161 N CYS A 76 8.024 -3.744 -5.034 1.00 0.00 N ATOM 1162 CA CYS A 76 7.363 -2.459 -4.828 1.00 0.00 C ATOM 1163 C CYS A 76 6.163 -2.589 -3.894 1.00 0.00 C ATOM 1164 O CYS A 76 5.691 -3.692 -3.622 1.00 0.00 O ATOM 1165 CB CYS A 76 6.914 -1.885 -6.173 1.00 0.00 C ATOM 1166 SG CYS A 76 5.587 -2.818 -6.973 1.00 0.00 S ATOM 0 H CYS A 76 7.425 -4.463 -5.440 1.00 0.00 H new ATOM 0 HA CYS A 76 8.080 -1.784 -4.361 1.00 0.00 H new ATOM 0 HB2 CYS A 76 6.581 -0.858 -6.024 1.00 0.00 H new ATOM 0 HB3 CYS A 76 7.772 -1.848 -6.844 1.00 0.00 H new ATOM 0 HG CYS A 76 5.229 -3.806 -6.208 1.00 0.00 H new ATOM 1172 N GLY A 77 5.669 -1.448 -3.414 1.00 0.00 N ATOM 1173 CA GLY A 77 4.520 -1.452 -2.521 1.00 0.00 C ATOM 1174 C GLY A 77 3.380 -0.609 -3.057 1.00 0.00 C ATOM 1175 O GLY A 77 3.590 0.233 -3.932 1.00 0.00 O ATOM 0 H GLY A 77 6.043 -0.523 -3.627 1.00 0.00 H new ATOM 0 HA2 GLY A 77 4.177 -2.476 -2.377 1.00 0.00 H new ATOM 0 HA3 GLY A 77 4.820 -1.076 -1.543 1.00 0.00 H new ATOM 1179 N VAL A 78 2.165 -0.827 -2.546 1.00 0.00 N ATOM 1180 CA VAL A 78 1.017 -0.058 -3.015 1.00 0.00 C ATOM 1181 C VAL A 78 0.374 0.756 -1.895 1.00 0.00 C ATOM 1182 O VAL A 78 0.359 0.345 -0.730 1.00 0.00 O ATOM 1183 CB VAL A 78 -0.051 -0.959 -3.674 1.00 0.00 C ATOM 1184 CG1 VAL A 78 -1.158 -0.138 -4.313 1.00 0.00 C ATOM 1185 CG2 VAL A 78 0.595 -1.892 -4.686 1.00 0.00 C ATOM 0 H VAL A 78 1.956 -1.515 -1.823 1.00 0.00 H new ATOM 0 HA VAL A 78 1.406 0.631 -3.765 1.00 0.00 H new ATOM 0 HB VAL A 78 -0.510 -1.564 -2.892 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -1.891 -0.806 -4.766 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -1.645 0.472 -3.552 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -0.734 0.510 -5.080 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -0.170 -2.520 -5.142 1.00 0.00 H new ATOM 0 HG22 VAL A 78 1.090 -1.304 -5.459 1.00 0.00 H new ATOM 0 HG23 VAL A 78 1.329 -2.521 -4.184 1.00 0.00 H new ATOM 1195 N LEU A 79 -0.152 1.920 -2.268 1.00 0.00 N ATOM 1196 CA LEU A 79 -0.800 2.825 -1.325 1.00 0.00 C ATOM 1197 C LEU A 79 -2.124 3.331 -1.897 1.00 0.00 C ATOM 1198 O LEU A 79 -2.139 4.233 -2.731 1.00 0.00 O ATOM 1199 CB LEU A 79 0.129 4.008 -1.032 1.00 0.00 C ATOM 1200 CG LEU A 79 0.187 4.453 0.428 1.00 0.00 C ATOM 1201 CD1 LEU A 79 1.276 5.496 0.621 1.00 0.00 C ATOM 1202 CD2 LEU A 79 -1.161 5.003 0.865 1.00 0.00 C ATOM 0 H LEU A 79 -0.141 2.261 -3.229 1.00 0.00 H new ATOM 0 HA LEU A 79 -1.005 2.287 -0.400 1.00 0.00 H new ATOM 0 HB2 LEU A 79 1.137 3.744 -1.354 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -0.188 4.856 -1.640 1.00 0.00 H new ATOM 0 HG LEU A 79 0.425 3.588 1.047 1.00 0.00 H new ATOM 0 HD11 LEU A 79 1.305 5.803 1.666 1.00 0.00 H new ATOM 0 HD12 LEU A 79 2.240 5.072 0.341 1.00 0.00 H new ATOM 0 HD13 LEU A 79 1.065 6.362 -0.006 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -1.105 5.316 1.907 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -1.424 5.858 0.243 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -1.921 4.229 0.759 1.00 0.00 H new ATOM 1214 N ILE A 80 -3.235 2.744 -1.456 1.00 0.00 N ATOM 1215 CA ILE A 80 -4.554 3.147 -1.954 1.00 0.00 C ATOM 1216 C ILE A 80 -5.267 4.085 -0.981 1.00 0.00 C ATOM 1217 O ILE A 80 -5.387 3.795 0.208 1.00 0.00 O ATOM 1218 CB ILE A 80 -5.474 1.930 -2.252 1.00 0.00 C ATOM 1219 CG1 ILE A 80 -4.868 0.631 -1.729 1.00 0.00 C ATOM 1220 CG2 ILE A 80 -5.734 1.811 -3.746 1.00 0.00 C ATOM 1221 CD1 ILE A 80 -5.651 -0.601 -2.132 1.00 0.00 C ATOM 0 H ILE A 80 -3.252 1.996 -0.763 1.00 0.00 H new ATOM 0 HA ILE A 80 -4.365 3.676 -2.888 1.00 0.00 H new ATOM 0 HB ILE A 80 -6.419 2.099 -1.735 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -3.846 0.540 -2.098 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -4.811 0.677 -0.641 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -6.380 0.954 -3.936 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -6.221 2.718 -4.104 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -4.788 1.676 -4.270 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -5.166 -1.489 -1.727 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -6.666 -0.532 -1.740 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -5.686 -0.670 -3.219 1.00 0.00 H new ATOM 1233 N THR A 81 -5.741 5.213 -1.503 1.00 0.00 N ATOM 1234 CA THR A 81 -6.447 6.198 -0.689 1.00 0.00 C ATOM 1235 C THR A 81 -7.381 7.048 -1.549 1.00 0.00 C ATOM 1236 O THR A 81 -7.523 6.810 -2.744 1.00 0.00 O ATOM 1237 CB THR A 81 -5.451 7.082 0.075 1.00 0.00 C ATOM 1238 OG1 THR A 81 -6.000 8.360 0.337 1.00 0.00 O ATOM 1239 CG2 THR A 81 -4.143 7.291 -0.648 1.00 0.00 C ATOM 0 H THR A 81 -5.649 5.468 -2.486 1.00 0.00 H new ATOM 0 HA THR A 81 -7.056 5.663 0.039 1.00 0.00 H new ATOM 0 HB THR A 81 -5.253 6.539 0.999 1.00 0.00 H new ATOM 0 HG1 THR A 81 -5.391 8.865 0.915 1.00 0.00 H new ATOM 0 HG21 THR A 81 -3.492 7.925 -0.046 1.00 0.00 H new ATOM 0 HG22 THR A 81 -3.660 6.328 -0.812 1.00 0.00 H new ATOM 0 HG23 THR A 81 -4.331 7.771 -1.608 1.00 0.00 H new ATOM 1247 N ASP A 82 -8.022 8.034 -0.929 1.00 0.00 N ATOM 1248 CA ASP A 82 -8.951 8.912 -1.632 1.00 0.00 C ATOM 1249 C ASP A 82 -8.216 9.832 -2.601 1.00 0.00 C ATOM 1250 O ASP A 82 -6.988 9.916 -2.586 1.00 0.00 O ATOM 1251 CB ASP A 82 -9.750 9.741 -0.626 1.00 0.00 C ATOM 1252 CG ASP A 82 -11.058 10.249 -1.200 1.00 0.00 C ATOM 1253 OD1 ASP A 82 -11.785 9.445 -1.823 1.00 0.00 O ATOM 1254 OD2 ASP A 82 -11.357 11.449 -1.027 1.00 0.00 O ATOM 0 H ASP A 82 -7.914 8.245 0.063 1.00 0.00 H new ATOM 0 HA ASP A 82 -9.634 8.289 -2.210 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -9.955 9.136 0.257 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -9.147 10.588 -0.298 1.00 0.00 H new ATOM 1259 N LYS A 83 -8.981 10.521 -3.444 1.00 0.00 N ATOM 1260 CA LYS A 83 -8.408 11.438 -4.424 1.00 0.00 C ATOM 1261 C LYS A 83 -7.751 12.636 -3.741 1.00 0.00 C ATOM 1262 O LYS A 83 -6.942 13.338 -4.348 1.00 0.00 O ATOM 1263 CB LYS A 83 -9.487 11.917 -5.396 1.00 0.00 C ATOM 1264 CG LYS A 83 -10.617 12.680 -4.725 1.00 0.00 C ATOM 1265 CD LYS A 83 -11.765 12.936 -5.688 1.00 0.00 C ATOM 1266 CE LYS A 83 -12.846 13.795 -5.052 1.00 0.00 C ATOM 1267 NZ LYS A 83 -13.226 13.300 -3.700 1.00 0.00 N ATOM 0 H LYS A 83 -9.999 10.461 -3.468 1.00 0.00 H new ATOM 0 HA LYS A 83 -7.640 10.899 -4.979 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -9.027 12.555 -6.150 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -9.902 11.055 -5.918 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -10.980 12.115 -3.867 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -10.241 13.630 -4.345 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -11.387 13.429 -6.583 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -12.194 11.985 -6.005 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -12.494 14.824 -4.976 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -13.726 13.806 -5.695 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -14.122 13.741 -3.408 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -13.342 12.267 -3.728 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -12.481 13.546 -3.018 1.00 0.00 H new ATOM 1281 N GLN A 84 -8.095 12.862 -2.474 1.00 0.00 N ATOM 1282 CA GLN A 84 -7.528 13.972 -1.715 1.00 0.00 C ATOM 1283 C GLN A 84 -6.285 13.521 -0.948 1.00 0.00 C ATOM 1284 O GLN A 84 -5.969 14.053 0.114 1.00 0.00 O ATOM 1285 CB GLN A 84 -8.563 14.538 -0.742 1.00 0.00 C ATOM 1286 CG GLN A 84 -9.759 15.177 -1.431 1.00 0.00 C ATOM 1287 CD GLN A 84 -9.378 16.397 -2.245 1.00 0.00 C ATOM 1288 OE1 GLN A 84 -8.715 16.287 -3.277 1.00 0.00 O ATOM 1289 NE2 GLN A 84 -9.797 17.570 -1.786 1.00 0.00 N ATOM 0 H GLN A 84 -8.762 12.292 -1.954 1.00 0.00 H new ATOM 0 HA GLN A 84 -7.241 14.753 -2.419 1.00 0.00 H new ATOM 0 HB2 GLN A 84 -8.914 13.737 -0.091 1.00 0.00 H new ATOM 0 HB3 GLN A 84 -8.082 15.280 -0.104 1.00 0.00 H new ATOM 0 HG2 GLN A 84 -10.233 14.443 -2.083 1.00 0.00 H new ATOM 0 HG3 GLN A 84 -10.497 15.461 -0.681 1.00 0.00 H new ATOM 0 HE21 GLN A 84 -10.344 17.615 -0.926 1.00 0.00 H new ATOM 0 HE22 GLN A 84 -9.572 18.426 -2.293 1.00 0.00 H new ATOM 1298 N TYR A 85 -5.586 12.540 -1.505 1.00 0.00 N ATOM 1299 CA TYR A 85 -4.378 12.003 -0.902 1.00 0.00 C ATOM 1300 C TYR A 85 -3.223 12.138 -1.887 1.00 0.00 C ATOM 1301 O TYR A 85 -2.748 11.150 -2.445 1.00 0.00 O ATOM 1302 CB TYR A 85 -4.604 10.535 -0.545 1.00 0.00 C ATOM 1303 CG TYR A 85 -3.688 9.988 0.530 1.00 0.00 C ATOM 1304 CD1 TYR A 85 -2.349 9.721 0.265 1.00 0.00 C ATOM 1305 CD2 TYR A 85 -4.172 9.708 1.803 1.00 0.00 C ATOM 1306 CE1 TYR A 85 -1.521 9.195 1.239 1.00 0.00 C ATOM 1307 CE2 TYR A 85 -3.351 9.179 2.780 1.00 0.00 C ATOM 1308 CZ TYR A 85 -2.027 8.925 2.493 1.00 0.00 C ATOM 1309 OH TYR A 85 -1.206 8.398 3.462 1.00 0.00 O ATOM 0 H TYR A 85 -5.842 12.096 -2.387 1.00 0.00 H new ATOM 0 HA TYR A 85 -4.135 12.555 0.006 1.00 0.00 H new ATOM 0 HB2 TYR A 85 -5.637 10.411 -0.219 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -4.480 9.935 -1.446 1.00 0.00 H new ATOM 0 HD1 TYR A 85 -1.950 9.928 -0.717 1.00 0.00 H new ATOM 0 HD2 TYR A 85 -5.208 9.908 2.032 1.00 0.00 H new ATOM 0 HE1 TYR A 85 -0.483 8.996 1.019 1.00 0.00 H new ATOM 0 HE2 TYR A 85 -3.744 8.966 3.763 1.00 0.00 H new ATOM 0 HH TYR A 85 -1.091 9.051 4.184 1.00 0.00 H new ATOM 1319 N PRO A 86 -2.775 13.382 -2.128 1.00 0.00 N ATOM 1320 CA PRO A 86 -1.691 13.677 -3.063 1.00 0.00 C ATOM 1321 C PRO A 86 -0.571 12.642 -3.040 1.00 0.00 C ATOM 1322 O PRO A 86 -0.418 11.892 -2.075 1.00 0.00 O ATOM 1323 CB PRO A 86 -1.191 15.027 -2.567 1.00 0.00 C ATOM 1324 CG PRO A 86 -2.410 15.704 -2.038 1.00 0.00 C ATOM 1325 CD PRO A 86 -3.312 14.614 -1.513 1.00 0.00 C ATOM 0 HA PRO A 86 -2.030 13.670 -4.099 1.00 0.00 H new ATOM 0 HB2 PRO A 86 -0.434 14.910 -1.792 1.00 0.00 H new ATOM 0 HB3 PRO A 86 -0.735 15.602 -3.373 1.00 0.00 H new ATOM 0 HG2 PRO A 86 -2.151 16.407 -1.247 1.00 0.00 H new ATOM 0 HG3 PRO A 86 -2.907 16.275 -2.822 1.00 0.00 H new ATOM 0 HD2 PRO A 86 -3.284 14.562 -0.425 1.00 0.00 H new ATOM 0 HD3 PRO A 86 -4.350 14.783 -1.798 1.00 0.00 H new ATOM 1333 N VAL A 87 0.204 12.607 -4.118 1.00 0.00 N ATOM 1334 CA VAL A 87 1.310 11.665 -4.244 1.00 0.00 C ATOM 1335 C VAL A 87 2.487 12.061 -3.358 1.00 0.00 C ATOM 1336 O VAL A 87 3.283 11.214 -2.961 1.00 0.00 O ATOM 1337 CB VAL A 87 1.801 11.559 -5.701 1.00 0.00 C ATOM 1338 CG1 VAL A 87 2.646 10.309 -5.890 1.00 0.00 C ATOM 1339 CG2 VAL A 87 0.627 11.567 -6.668 1.00 0.00 C ATOM 0 H VAL A 87 0.086 13.224 -4.922 1.00 0.00 H new ATOM 0 HA VAL A 87 0.926 10.697 -3.922 1.00 0.00 H new ATOM 0 HB VAL A 87 2.422 12.428 -5.916 1.00 0.00 H new ATOM 0 HG11 VAL A 87 2.984 10.251 -6.925 1.00 0.00 H new ATOM 0 HG12 VAL A 87 3.511 10.351 -5.228 1.00 0.00 H new ATOM 0 HG13 VAL A 87 2.050 9.428 -5.653 1.00 0.00 H new ATOM 0 HG21 VAL A 87 0.997 11.491 -7.690 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -0.026 10.720 -6.455 1.00 0.00 H new ATOM 0 HG23 VAL A 87 0.067 12.495 -6.553 1.00 0.00 H new ATOM 1349 N ARG A 88 2.601 13.352 -3.060 1.00 0.00 N ATOM 1350 CA ARG A 88 3.696 13.845 -2.227 1.00 0.00 C ATOM 1351 C ARG A 88 3.723 13.134 -0.876 1.00 0.00 C ATOM 1352 O ARG A 88 4.735 12.537 -0.508 1.00 0.00 O ATOM 1353 CB ARG A 88 3.596 15.361 -2.040 1.00 0.00 C ATOM 1354 CG ARG A 88 3.211 16.103 -3.309 1.00 0.00 C ATOM 1355 CD ARG A 88 4.273 17.111 -3.719 1.00 0.00 C ATOM 1356 NE ARG A 88 4.031 18.429 -3.140 1.00 0.00 N ATOM 1357 CZ ARG A 88 3.151 19.303 -3.623 1.00 0.00 C ATOM 1358 NH1 ARG A 88 2.425 19.001 -4.693 1.00 0.00 N ATOM 1359 NH2 ARG A 88 2.995 20.481 -3.037 1.00 0.00 N ATOM 0 H ARG A 88 1.954 14.073 -3.380 1.00 0.00 H new ATOM 0 HA ARG A 88 4.632 13.625 -2.740 1.00 0.00 H new ATOM 0 HB2 ARG A 88 2.860 15.576 -1.265 1.00 0.00 H new ATOM 0 HB3 ARG A 88 4.554 15.739 -1.684 1.00 0.00 H new ATOM 0 HG2 ARG A 88 3.059 15.387 -4.117 1.00 0.00 H new ATOM 0 HG3 ARG A 88 2.262 16.617 -3.156 1.00 0.00 H new ATOM 0 HD2 ARG A 88 5.253 16.752 -3.405 1.00 0.00 H new ATOM 0 HD3 ARG A 88 4.296 17.191 -4.806 1.00 0.00 H new ATOM 0 HE ARG A 88 4.569 18.696 -2.316 1.00 0.00 H new ATOM 0 HH11 ARG A 88 2.540 18.096 -5.149 1.00 0.00 H new ATOM 0 HH12 ARG A 88 1.752 19.674 -5.059 1.00 0.00 H new ATOM 0 HH21 ARG A 88 3.550 20.719 -2.215 1.00 0.00 H new ATOM 0 HH22 ARG A 88 2.320 21.150 -3.408 1.00 0.00 H new ATOM 1373 N PRO A 89 2.613 13.165 -0.114 1.00 0.00 N ATOM 1374 CA PRO A 89 2.550 12.492 1.183 1.00 0.00 C ATOM 1375 C PRO A 89 2.558 10.984 1.014 1.00 0.00 C ATOM 1376 O PRO A 89 3.175 10.264 1.799 1.00 0.00 O ATOM 1377 CB PRO A 89 1.223 12.969 1.774 1.00 0.00 C ATOM 1378 CG PRO A 89 0.388 13.304 0.586 1.00 0.00 C ATOM 1379 CD PRO A 89 1.341 13.830 -0.452 1.00 0.00 C ATOM 0 HA PRO A 89 3.404 12.723 1.820 1.00 0.00 H new ATOM 0 HB2 PRO A 89 0.757 12.193 2.382 1.00 0.00 H new ATOM 0 HB3 PRO A 89 1.364 13.837 2.418 1.00 0.00 H new ATOM 0 HG2 PRO A 89 -0.142 12.424 0.220 1.00 0.00 H new ATOM 0 HG3 PRO A 89 -0.367 14.049 0.837 1.00 0.00 H new ATOM 0 HD2 PRO A 89 1.013 13.582 -1.461 1.00 0.00 H new ATOM 0 HD3 PRO A 89 1.429 14.915 -0.404 1.00 0.00 H new ATOM 1387 N ALA A 90 1.903 10.512 -0.041 1.00 0.00 N ATOM 1388 CA ALA A 90 1.879 9.092 -0.332 1.00 0.00 C ATOM 1389 C ALA A 90 3.283 8.652 -0.696 1.00 0.00 C ATOM 1390 O ALA A 90 3.664 7.503 -0.481 1.00 0.00 O ATOM 1391 CB ALA A 90 0.897 8.782 -1.452 1.00 0.00 C ATOM 0 H ALA A 90 1.386 11.091 -0.702 1.00 0.00 H new ATOM 0 HA ALA A 90 1.542 8.542 0.547 1.00 0.00 H new ATOM 0 HB1 ALA A 90 0.898 7.710 -1.651 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -0.104 9.095 -1.155 1.00 0.00 H new ATOM 0 HB3 ALA A 90 1.192 9.319 -2.354 1.00 0.00 H new ATOM 1397 N TYR A 91 4.066 9.596 -1.218 1.00 0.00 N ATOM 1398 CA TYR A 91 5.443 9.323 -1.565 1.00 0.00 C ATOM 1399 C TYR A 91 6.243 9.216 -0.277 1.00 0.00 C ATOM 1400 O TYR A 91 7.118 8.361 -0.142 1.00 0.00 O ATOM 1401 CB TYR A 91 6.007 10.425 -2.471 1.00 0.00 C ATOM 1402 CG TYR A 91 7.521 10.436 -2.562 1.00 0.00 C ATOM 1403 CD1 TYR A 91 8.252 9.256 -2.491 1.00 0.00 C ATOM 1404 CD2 TYR A 91 8.214 11.629 -2.721 1.00 0.00 C ATOM 1405 CE1 TYR A 91 9.632 9.266 -2.573 1.00 0.00 C ATOM 1406 CE2 TYR A 91 9.595 11.647 -2.805 1.00 0.00 C ATOM 1407 CZ TYR A 91 10.297 10.463 -2.731 1.00 0.00 C ATOM 1408 OH TYR A 91 11.671 10.476 -2.814 1.00 0.00 O ATOM 0 H TYR A 91 3.763 10.552 -1.406 1.00 0.00 H new ATOM 0 HA TYR A 91 5.508 8.387 -2.120 1.00 0.00 H new ATOM 0 HB2 TYR A 91 5.594 10.304 -3.473 1.00 0.00 H new ATOM 0 HB3 TYR A 91 5.669 11.393 -2.102 1.00 0.00 H new ATOM 0 HD1 TYR A 91 7.734 8.316 -2.370 1.00 0.00 H new ATOM 0 HD2 TYR A 91 7.666 12.558 -2.780 1.00 0.00 H new ATOM 0 HE1 TYR A 91 10.186 8.341 -2.514 1.00 0.00 H new ATOM 0 HE2 TYR A 91 10.120 12.583 -2.928 1.00 0.00 H new ATOM 0 HH TYR A 91 11.983 11.398 -2.925 1.00 0.00 H new ATOM 1418 N THR A 92 5.903 10.075 0.686 1.00 0.00 N ATOM 1419 CA THR A 92 6.562 10.057 1.980 1.00 0.00 C ATOM 1420 C THR A 92 6.224 8.760 2.696 1.00 0.00 C ATOM 1421 O THR A 92 7.086 8.123 3.300 1.00 0.00 O ATOM 1422 CB THR A 92 6.111 11.246 2.823 1.00 0.00 C ATOM 1423 OG1 THR A 92 6.182 12.449 2.079 1.00 0.00 O ATOM 1424 CG2 THR A 92 6.930 11.431 4.081 1.00 0.00 C ATOM 0 H THR A 92 5.178 10.786 0.589 1.00 0.00 H new ATOM 0 HA THR A 92 7.640 10.126 1.833 1.00 0.00 H new ATOM 0 HB THR A 92 5.083 11.023 3.108 1.00 0.00 H new ATOM 0 HG1 THR A 92 5.545 12.411 1.335 1.00 0.00 H new ATOM 0 HG21 THR A 92 6.557 12.293 4.634 1.00 0.00 H new ATOM 0 HG22 THR A 92 6.850 10.539 4.702 1.00 0.00 H new ATOM 0 HG23 THR A 92 7.974 11.595 3.815 1.00 0.00 H new ATOM 1432 N LEU A 93 4.957 8.368 2.604 1.00 0.00 N ATOM 1433 CA LEU A 93 4.498 7.136 3.224 1.00 0.00 C ATOM 1434 C LEU A 93 5.114 5.948 2.513 1.00 0.00 C ATOM 1435 O LEU A 93 5.624 5.023 3.143 1.00 0.00 O ATOM 1436 CB LEU A 93 2.972 7.041 3.186 1.00 0.00 C ATOM 1437 CG LEU A 93 2.360 6.009 4.139 1.00 0.00 C ATOM 1438 CD1 LEU A 93 0.843 6.094 4.109 1.00 0.00 C ATOM 1439 CD2 LEU A 93 2.821 4.601 3.783 1.00 0.00 C ATOM 0 H LEU A 93 4.233 8.887 2.106 1.00 0.00 H new ATOM 0 HA LEU A 93 4.810 7.134 4.268 1.00 0.00 H new ATOM 0 HB2 LEU A 93 2.557 8.021 3.421 1.00 0.00 H new ATOM 0 HB3 LEU A 93 2.664 6.800 2.169 1.00 0.00 H new ATOM 0 HG LEU A 93 2.702 6.234 5.149 1.00 0.00 H new ATOM 0 HD11 LEU A 93 0.424 5.355 4.791 1.00 0.00 H new ATOM 0 HD12 LEU A 93 0.528 7.091 4.417 1.00 0.00 H new ATOM 0 HD13 LEU A 93 0.487 5.897 3.098 1.00 0.00 H new ATOM 0 HD21 LEU A 93 2.373 3.886 4.473 1.00 0.00 H new ATOM 0 HD22 LEU A 93 2.513 4.364 2.765 1.00 0.00 H new ATOM 0 HD23 LEU A 93 3.907 4.544 3.856 1.00 0.00 H new ATOM 1451 N LEU A 94 5.085 5.997 1.189 1.00 0.00 N ATOM 1452 CA LEU A 94 5.664 4.940 0.385 1.00 0.00 C ATOM 1453 C LEU A 94 7.184 4.956 0.524 1.00 0.00 C ATOM 1454 O LEU A 94 7.868 3.999 0.146 1.00 0.00 O ATOM 1455 CB LEU A 94 5.263 5.104 -1.082 1.00 0.00 C ATOM 1456 CG LEU A 94 3.874 4.562 -1.429 1.00 0.00 C ATOM 1457 CD1 LEU A 94 3.263 5.349 -2.580 1.00 0.00 C ATOM 1458 CD2 LEU A 94 3.947 3.080 -1.771 1.00 0.00 C ATOM 0 H LEU A 94 4.667 6.757 0.653 1.00 0.00 H new ATOM 0 HA LEU A 94 5.286 3.981 0.739 1.00 0.00 H new ATOM 0 HB2 LEU A 94 5.300 6.163 -1.339 1.00 0.00 H new ATOM 0 HB3 LEU A 94 6.001 4.599 -1.705 1.00 0.00 H new ATOM 0 HG LEU A 94 3.232 4.680 -0.556 1.00 0.00 H new ATOM 0 HD11 LEU A 94 2.276 4.948 -2.811 1.00 0.00 H new ATOM 0 HD12 LEU A 94 3.171 6.397 -2.296 1.00 0.00 H new ATOM 0 HD13 LEU A 94 3.903 5.266 -3.458 1.00 0.00 H new ATOM 0 HD21 LEU A 94 2.950 2.713 -2.015 1.00 0.00 H new ATOM 0 HD22 LEU A 94 4.606 2.936 -2.627 1.00 0.00 H new ATOM 0 HD23 LEU A 94 4.338 2.528 -0.916 1.00 0.00 H new ATOM 1470 N ASN A 95 7.706 6.043 1.093 1.00 0.00 N ATOM 1471 CA ASN A 95 9.142 6.179 1.301 1.00 0.00 C ATOM 1472 C ASN A 95 9.579 5.361 2.504 1.00 0.00 C ATOM 1473 O ASN A 95 10.454 4.501 2.404 1.00 0.00 O ATOM 1474 CB ASN A 95 9.527 7.647 1.498 1.00 0.00 C ATOM 1475 CG ASN A 95 11.028 7.843 1.579 1.00 0.00 C ATOM 1476 OD1 ASN A 95 11.800 6.916 1.337 1.00 0.00 O ATOM 1477 ND2 ASN A 95 11.448 9.055 1.922 1.00 0.00 N ATOM 0 H ASN A 95 7.155 6.838 1.416 1.00 0.00 H new ATOM 0 HA ASN A 95 9.651 5.805 0.413 1.00 0.00 H new ATOM 0 HB2 ASN A 95 9.130 8.238 0.673 1.00 0.00 H new ATOM 0 HB3 ASN A 95 9.064 8.022 2.411 1.00 0.00 H new ATOM 0 HD21 ASN A 95 12.447 9.247 1.994 1.00 0.00 H new ATOM 0 HD22 ASN A 95 10.771 9.794 2.114 1.00 0.00 H new ATOM 1484 N LYS A 96 8.957 5.638 3.642 1.00 0.00 N ATOM 1485 CA LYS A 96 9.269 4.932 4.872 1.00 0.00 C ATOM 1486 C LYS A 96 8.948 3.449 4.734 1.00 0.00 C ATOM 1487 O LYS A 96 9.694 2.604 5.215 1.00 0.00 O ATOM 1488 CB LYS A 96 8.489 5.534 6.044 1.00 0.00 C ATOM 1489 CG LYS A 96 9.373 6.202 7.084 1.00 0.00 C ATOM 1490 CD LYS A 96 10.220 7.304 6.469 1.00 0.00 C ATOM 1491 CE LYS A 96 10.643 8.326 7.511 1.00 0.00 C ATOM 1492 NZ LYS A 96 11.535 7.731 8.544 1.00 0.00 N ATOM 0 H LYS A 96 8.232 6.349 3.736 1.00 0.00 H new ATOM 0 HA LYS A 96 10.336 5.039 5.068 1.00 0.00 H new ATOM 0 HB2 LYS A 96 7.779 6.266 5.659 1.00 0.00 H new ATOM 0 HB3 LYS A 96 7.907 4.747 6.525 1.00 0.00 H new ATOM 0 HG2 LYS A 96 8.752 6.618 7.877 1.00 0.00 H new ATOM 0 HG3 LYS A 96 10.022 5.457 7.545 1.00 0.00 H new ATOM 0 HD2 LYS A 96 11.105 6.868 6.004 1.00 0.00 H new ATOM 0 HD3 LYS A 96 9.656 7.800 5.679 1.00 0.00 H new ATOM 0 HE2 LYS A 96 11.157 9.153 7.021 1.00 0.00 H new ATOM 0 HE3 LYS A 96 9.758 8.741 7.992 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 11.855 8.475 9.197 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 11.014 7.005 9.076 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 12.360 7.297 8.082 1.00 0.00 H new ATOM 1506 N ILE A 97 7.830 3.141 4.081 1.00 0.00 N ATOM 1507 CA ILE A 97 7.410 1.764 3.891 1.00 0.00 C ATOM 1508 C ILE A 97 8.444 0.955 3.116 1.00 0.00 C ATOM 1509 O ILE A 97 8.954 -0.043 3.616 1.00 0.00 O ATOM 1510 CB ILE A 97 6.041 1.716 3.183 1.00 0.00 C ATOM 1511 CG1 ILE A 97 5.395 0.354 3.317 1.00 0.00 C ATOM 1512 CG2 ILE A 97 6.134 2.091 1.721 1.00 0.00 C ATOM 1513 CD1 ILE A 97 3.986 0.345 2.790 1.00 0.00 C ATOM 0 H ILE A 97 7.200 3.833 3.675 1.00 0.00 H new ATOM 0 HA ILE A 97 7.316 1.309 4.877 1.00 0.00 H new ATOM 0 HB ILE A 97 5.417 2.457 3.683 1.00 0.00 H new ATOM 0 HG12 ILE A 97 5.989 -0.384 2.777 1.00 0.00 H new ATOM 0 HG13 ILE A 97 5.392 0.056 4.365 1.00 0.00 H new ATOM 0 HG21 ILE A 97 5.143 2.041 1.269 1.00 0.00 H new ATOM 0 HG22 ILE A 97 6.524 3.105 1.629 1.00 0.00 H new ATOM 0 HG23 ILE A 97 6.801 1.398 1.209 1.00 0.00 H new ATOM 0 HD11 ILE A 97 3.561 -0.652 2.906 1.00 0.00 H new ATOM 0 HD12 ILE A 97 3.385 1.063 3.347 1.00 0.00 H new ATOM 0 HD13 ILE A 97 3.991 0.617 1.735 1.00 0.00 H new ATOM 1525 N LEU A 98 8.761 1.385 1.901 1.00 0.00 N ATOM 1526 CA LEU A 98 9.746 0.678 1.092 1.00 0.00 C ATOM 1527 C LEU A 98 11.081 0.610 1.826 1.00 0.00 C ATOM 1528 O LEU A 98 11.718 -0.446 1.887 1.00 0.00 O ATOM 1529 CB LEU A 98 9.912 1.355 -0.270 1.00 0.00 C ATOM 1530 CG LEU A 98 8.686 1.280 -1.189 1.00 0.00 C ATOM 1531 CD1 LEU A 98 9.064 1.643 -2.616 1.00 0.00 C ATOM 1532 CD2 LEU A 98 8.057 -0.107 -1.140 1.00 0.00 C ATOM 0 H LEU A 98 8.356 2.210 1.458 1.00 0.00 H new ATOM 0 HA LEU A 98 9.391 -0.339 0.924 1.00 0.00 H new ATOM 0 HB2 LEU A 98 10.162 2.404 -0.109 1.00 0.00 H new ATOM 0 HB3 LEU A 98 10.759 0.901 -0.783 1.00 0.00 H new ATOM 0 HG LEU A 98 7.950 2.001 -0.833 1.00 0.00 H new ATOM 0 HD11 LEU A 98 8.181 1.584 -3.252 1.00 0.00 H new ATOM 0 HD12 LEU A 98 9.462 2.658 -2.640 1.00 0.00 H new ATOM 0 HD13 LEU A 98 9.821 0.948 -2.980 1.00 0.00 H new ATOM 0 HD21 LEU A 98 7.190 -0.137 -1.799 1.00 0.00 H new ATOM 0 HD22 LEU A 98 8.786 -0.849 -1.466 1.00 0.00 H new ATOM 0 HD23 LEU A 98 7.745 -0.329 -0.120 1.00 0.00 H new ATOM 1544 N ASP A 99 11.477 1.731 2.421 1.00 0.00 N ATOM 1545 CA ASP A 99 12.713 1.785 3.186 1.00 0.00 C ATOM 1546 C ASP A 99 12.572 0.903 4.414 1.00 0.00 C ATOM 1547 O ASP A 99 13.548 0.357 4.929 1.00 0.00 O ATOM 1548 CB ASP A 99 13.028 3.224 3.602 1.00 0.00 C ATOM 1549 CG ASP A 99 14.517 3.475 3.731 1.00 0.00 C ATOM 1550 OD1 ASP A 99 15.261 2.510 4.007 1.00 0.00 O ATOM 1551 OD2 ASP A 99 14.941 4.636 3.556 1.00 0.00 O ATOM 0 H ASP A 99 10.961 2.610 2.387 1.00 0.00 H new ATOM 0 HA ASP A 99 13.535 1.426 2.567 1.00 0.00 H new ATOM 0 HB2 ASP A 99 12.609 3.912 2.868 1.00 0.00 H new ATOM 0 HB3 ASP A 99 12.542 3.439 4.554 1.00 0.00 H new ATOM 1556 N GLU A 100 11.329 0.758 4.860 1.00 0.00 N ATOM 1557 CA GLU A 100 11.009 -0.067 6.007 1.00 0.00 C ATOM 1558 C GLU A 100 11.002 -1.533 5.595 1.00 0.00 C ATOM 1559 O GLU A 100 11.341 -2.412 6.386 1.00 0.00 O ATOM 1560 CB GLU A 100 9.658 0.343 6.591 1.00 0.00 C ATOM 1561 CG GLU A 100 9.177 -0.557 7.719 1.00 0.00 C ATOM 1562 CD GLU A 100 10.112 -0.542 8.913 1.00 0.00 C ATOM 1563 OE1 GLU A 100 10.309 0.543 9.500 1.00 0.00 O ATOM 1564 OE2 GLU A 100 10.646 -1.615 9.262 1.00 0.00 O ATOM 0 H GLU A 100 10.520 1.210 4.434 1.00 0.00 H new ATOM 0 HA GLU A 100 11.766 0.075 6.778 1.00 0.00 H new ATOM 0 HB2 GLU A 100 9.728 1.366 6.960 1.00 0.00 H new ATOM 0 HB3 GLU A 100 8.913 0.341 5.795 1.00 0.00 H new ATOM 0 HG2 GLU A 100 8.184 -0.238 8.035 1.00 0.00 H new ATOM 0 HG3 GLU A 100 9.081 -1.578 7.349 1.00 0.00 H new ATOM 1571 N TYR A 101 10.648 -1.788 4.334 1.00 0.00 N ATOM 1572 CA TYR A 101 10.646 -3.144 3.820 1.00 0.00 C ATOM 1573 C TYR A 101 12.072 -3.667 3.806 1.00 0.00 C ATOM 1574 O TYR A 101 12.313 -4.855 3.996 1.00 0.00 O ATOM 1575 CB TYR A 101 10.048 -3.214 2.415 1.00 0.00 C ATOM 1576 CG TYR A 101 9.411 -4.554 2.124 1.00 0.00 C ATOM 1577 CD1 TYR A 101 10.193 -5.688 1.941 1.00 0.00 C ATOM 1578 CD2 TYR A 101 8.030 -4.692 2.055 1.00 0.00 C ATOM 1579 CE1 TYR A 101 9.618 -6.920 1.694 1.00 0.00 C ATOM 1580 CE2 TYR A 101 7.448 -5.922 1.814 1.00 0.00 C ATOM 1581 CZ TYR A 101 8.246 -7.031 1.634 1.00 0.00 C ATOM 1582 OH TYR A 101 7.671 -8.256 1.399 1.00 0.00 O ATOM 0 H TYR A 101 10.363 -1.076 3.662 1.00 0.00 H new ATOM 0 HA TYR A 101 10.025 -3.761 4.469 1.00 0.00 H new ATOM 0 HB2 TYR A 101 9.301 -2.428 2.302 1.00 0.00 H new ATOM 0 HB3 TYR A 101 10.830 -3.020 1.681 1.00 0.00 H new ATOM 0 HD1 TYR A 101 11.269 -5.605 1.993 1.00 0.00 H new ATOM 0 HD2 TYR A 101 7.402 -3.824 2.192 1.00 0.00 H new ATOM 0 HE1 TYR A 101 10.240 -7.791 1.549 1.00 0.00 H new ATOM 0 HE2 TYR A 101 6.373 -6.014 1.767 1.00 0.00 H new ATOM 0 HH TYR A 101 7.093 -8.496 2.153 1.00 0.00 H new ATOM 1592 N LEU A 102 13.021 -2.757 3.589 1.00 0.00 N ATOM 1593 CA LEU A 102 14.435 -3.117 3.567 1.00 0.00 C ATOM 1594 C LEU A 102 14.967 -3.319 4.982 1.00 0.00 C ATOM 1595 O LEU A 102 15.872 -4.123 5.206 1.00 0.00 O ATOM 1596 CB LEU A 102 15.268 -2.042 2.860 1.00 0.00 C ATOM 1597 CG LEU A 102 14.526 -1.204 1.820 1.00 0.00 C ATOM 1598 CD1 LEU A 102 15.498 -0.288 1.093 1.00 0.00 C ATOM 1599 CD2 LEU A 102 13.792 -2.099 0.831 1.00 0.00 C ATOM 0 H LEU A 102 12.835 -1.767 3.426 1.00 0.00 H new ATOM 0 HA LEU A 102 14.523 -4.053 3.015 1.00 0.00 H new ATOM 0 HB2 LEU A 102 15.677 -1.371 3.615 1.00 0.00 H new ATOM 0 HB3 LEU A 102 16.114 -2.527 2.372 1.00 0.00 H new ATOM 0 HG LEU A 102 13.787 -0.590 2.334 1.00 0.00 H new ATOM 0 HD11 LEU A 102 14.957 0.304 0.355 1.00 0.00 H new ATOM 0 HD12 LEU A 102 15.977 0.377 1.811 1.00 0.00 H new ATOM 0 HD13 LEU A 102 16.257 -0.888 0.591 1.00 0.00 H new ATOM 0 HD21 LEU A 102 13.270 -1.482 0.099 1.00 0.00 H new ATOM 0 HD22 LEU A 102 14.509 -2.741 0.319 1.00 0.00 H new ATOM 0 HD23 LEU A 102 13.070 -2.716 1.365 1.00 0.00 H new ATOM 1611 N VAL A 103 14.413 -2.572 5.936 1.00 0.00 N ATOM 1612 CA VAL A 103 14.852 -2.662 7.325 1.00 0.00 C ATOM 1613 C VAL A 103 14.352 -3.930 8.000 1.00 0.00 C ATOM 1614 O VAL A 103 15.139 -4.676 8.585 1.00 0.00 O ATOM 1615 CB VAL A 103 14.398 -1.445 8.153 1.00 0.00 C ATOM 1616 CG1 VAL A 103 14.468 -1.763 9.640 1.00 0.00 C ATOM 1617 CG2 VAL A 103 15.242 -0.225 7.819 1.00 0.00 C ATOM 0 H VAL A 103 13.663 -1.901 5.772 1.00 0.00 H new ATOM 0 HA VAL A 103 15.941 -2.683 7.290 1.00 0.00 H new ATOM 0 HB VAL A 103 13.363 -1.218 7.899 1.00 0.00 H new ATOM 0 HG11 VAL A 103 14.144 -0.894 10.213 1.00 0.00 H new ATOM 0 HG12 VAL A 103 13.816 -2.608 9.862 1.00 0.00 H new ATOM 0 HG13 VAL A 103 15.493 -2.015 9.910 1.00 0.00 H new ATOM 0 HG21 VAL A 103 14.906 0.624 8.414 1.00 0.00 H new ATOM 0 HG22 VAL A 103 16.288 -0.434 8.043 1.00 0.00 H new ATOM 0 HG23 VAL A 103 15.138 0.010 6.760 1.00 0.00 H new ATOM 1627 N ALA A 104 13.045 -4.175 7.923 1.00 0.00 N ATOM 1628 CA ALA A 104 12.458 -5.366 8.534 1.00 0.00 C ATOM 1629 C ALA A 104 13.301 -6.603 8.232 1.00 0.00 C ATOM 1630 O ALA A 104 13.242 -7.603 8.946 1.00 0.00 O ATOM 1631 CB ALA A 104 11.032 -5.560 8.045 1.00 0.00 C ATOM 0 H ALA A 104 12.376 -3.569 7.447 1.00 0.00 H new ATOM 0 HA ALA A 104 12.440 -5.224 9.615 1.00 0.00 H new ATOM 0 HB1 ALA A 104 10.607 -6.451 8.508 1.00 0.00 H new ATOM 0 HB2 ALA A 104 10.433 -4.690 8.314 1.00 0.00 H new ATOM 0 HB3 ALA A 104 11.032 -5.679 6.962 1.00 0.00 H new ATOM 1637 N HIS A 105 14.090 -6.511 7.167 1.00 0.00 N ATOM 1638 CA HIS A 105 14.959 -7.590 6.748 1.00 0.00 C ATOM 1639 C HIS A 105 15.871 -7.111 5.618 1.00 0.00 C ATOM 1640 O HIS A 105 15.401 -6.500 4.658 1.00 0.00 O ATOM 1641 CB HIS A 105 14.134 -8.795 6.288 1.00 0.00 C ATOM 1642 CG HIS A 105 12.924 -8.433 5.480 1.00 0.00 C ATOM 1643 ND1 HIS A 105 12.128 -9.373 4.859 1.00 0.00 N ATOM 1644 CD2 HIS A 105 12.373 -7.229 5.190 1.00 0.00 C ATOM 1645 CE1 HIS A 105 11.143 -8.764 4.223 1.00 0.00 C ATOM 1646 NE2 HIS A 105 11.268 -7.463 4.409 1.00 0.00 N ATOM 0 H HIS A 105 14.141 -5.683 6.573 1.00 0.00 H new ATOM 0 HA HIS A 105 15.572 -7.897 7.595 1.00 0.00 H new ATOM 0 HB2 HIS A 105 14.770 -9.453 5.696 1.00 0.00 H new ATOM 0 HB3 HIS A 105 13.817 -9.361 7.164 1.00 0.00 H new ATOM 0 HD2 HIS A 105 12.736 -6.264 5.513 1.00 0.00 H new ATOM 0 HE1 HIS A 105 10.367 -9.248 3.648 1.00 0.00 H new ATOM 0 HE2 HIS A 105 10.645 -6.748 4.034 1.00 0.00 H new ATOM 1655 N PRO A 106 17.190 -7.367 5.726 1.00 0.00 N ATOM 1656 CA PRO A 106 18.179 -6.953 4.729 1.00 0.00 C ATOM 1657 C PRO A 106 17.643 -6.932 3.299 1.00 0.00 C ATOM 1658 O PRO A 106 16.680 -7.623 2.966 1.00 0.00 O ATOM 1659 CB PRO A 106 19.259 -8.016 4.888 1.00 0.00 C ATOM 1660 CG PRO A 106 19.231 -8.369 6.342 1.00 0.00 C ATOM 1661 CD PRO A 106 17.837 -8.069 6.848 1.00 0.00 C ATOM 0 HA PRO A 106 18.516 -5.929 4.889 1.00 0.00 H new ATOM 0 HB2 PRO A 106 19.053 -8.886 4.265 1.00 0.00 H new ATOM 0 HB3 PRO A 106 20.236 -7.635 4.591 1.00 0.00 H new ATOM 0 HG2 PRO A 106 19.475 -9.421 6.487 1.00 0.00 H new ATOM 0 HG3 PRO A 106 19.973 -7.791 6.893 1.00 0.00 H new ATOM 0 HD2 PRO A 106 17.302 -8.983 7.108 1.00 0.00 H new ATOM 0 HD3 PRO A 106 17.863 -7.449 7.744 1.00 0.00 H new ATOM 1669 N LYS A 107 18.274 -6.112 2.466 1.00 0.00 N ATOM 1670 CA LYS A 107 17.874 -5.957 1.072 1.00 0.00 C ATOM 1671 C LYS A 107 17.683 -7.298 0.362 1.00 0.00 C ATOM 1672 O LYS A 107 16.592 -7.609 -0.112 1.00 0.00 O ATOM 1673 CB LYS A 107 18.913 -5.125 0.318 1.00 0.00 C ATOM 1674 CG LYS A 107 19.078 -3.716 0.867 1.00 0.00 C ATOM 1675 CD LYS A 107 20.542 -3.313 0.941 1.00 0.00 C ATOM 1676 CE LYS A 107 21.202 -3.350 -0.430 1.00 0.00 C ATOM 1677 NZ LYS A 107 22.508 -4.065 -0.397 1.00 0.00 N ATOM 0 H LYS A 107 19.073 -5.539 2.736 1.00 0.00 H new ATOM 0 HA LYS A 107 16.911 -5.446 1.074 1.00 0.00 H new ATOM 0 HB2 LYS A 107 19.875 -5.637 0.358 1.00 0.00 H new ATOM 0 HB3 LYS A 107 18.627 -5.066 -0.732 1.00 0.00 H new ATOM 0 HG2 LYS A 107 18.538 -3.012 0.234 1.00 0.00 H new ATOM 0 HG3 LYS A 107 18.633 -3.657 1.860 1.00 0.00 H new ATOM 0 HD2 LYS A 107 20.623 -2.309 1.358 1.00 0.00 H new ATOM 0 HD3 LYS A 107 21.071 -3.983 1.619 1.00 0.00 H new ATOM 0 HE2 LYS A 107 20.537 -3.841 -1.140 1.00 0.00 H new ATOM 0 HE3 LYS A 107 21.354 -2.332 -0.788 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 22.926 -4.069 -1.349 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 23.152 -3.582 0.262 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 22.360 -5.044 -0.080 1.00 0.00 H new ATOM 1691 N GLU A 108 18.757 -8.069 0.268 1.00 0.00 N ATOM 1692 CA GLU A 108 18.720 -9.359 -0.413 1.00 0.00 C ATOM 1693 C GLU A 108 17.802 -10.363 0.281 1.00 0.00 C ATOM 1694 O GLU A 108 17.280 -11.272 -0.365 1.00 0.00 O ATOM 1695 CB GLU A 108 20.133 -9.936 -0.531 1.00 0.00 C ATOM 1696 CG GLU A 108 20.675 -9.932 -1.951 1.00 0.00 C ATOM 1697 CD GLU A 108 21.546 -8.724 -2.239 1.00 0.00 C ATOM 1698 OE1 GLU A 108 21.021 -7.592 -2.200 1.00 0.00 O ATOM 1699 OE2 GLU A 108 22.753 -8.911 -2.502 1.00 0.00 O ATOM 0 H GLU A 108 19.668 -7.824 0.655 1.00 0.00 H new ATOM 0 HA GLU A 108 18.311 -9.182 -1.408 1.00 0.00 H new ATOM 0 HB2 GLU A 108 20.805 -9.362 0.107 1.00 0.00 H new ATOM 0 HB3 GLU A 108 20.131 -10.959 -0.154 1.00 0.00 H new ATOM 0 HG2 GLU A 108 21.254 -10.841 -2.118 1.00 0.00 H new ATOM 0 HG3 GLU A 108 19.842 -9.951 -2.654 1.00 0.00 H new ATOM 1706 N GLU A 109 17.612 -10.214 1.591 1.00 0.00 N ATOM 1707 CA GLU A 109 16.758 -11.138 2.341 1.00 0.00 C ATOM 1708 C GLU A 109 15.466 -11.426 1.584 1.00 0.00 C ATOM 1709 O GLU A 109 15.061 -12.581 1.447 1.00 0.00 O ATOM 1710 CB GLU A 109 16.429 -10.581 3.726 1.00 0.00 C ATOM 1711 CG GLU A 109 15.460 -11.457 4.503 1.00 0.00 C ATOM 1712 CD GLU A 109 15.949 -11.780 5.901 1.00 0.00 C ATOM 1713 OE1 GLU A 109 16.154 -10.835 6.692 1.00 0.00 O ATOM 1714 OE2 GLU A 109 16.129 -12.978 6.205 1.00 0.00 O ATOM 0 H GLU A 109 18.032 -9.472 2.151 1.00 0.00 H new ATOM 0 HA GLU A 109 17.312 -12.069 2.459 1.00 0.00 H new ATOM 0 HB2 GLU A 109 17.351 -10.474 4.297 1.00 0.00 H new ATOM 0 HB3 GLU A 109 16.003 -9.584 3.619 1.00 0.00 H new ATOM 0 HG2 GLU A 109 14.495 -10.954 4.568 1.00 0.00 H new ATOM 0 HG3 GLU A 109 15.299 -12.386 3.956 1.00 0.00 H new ATOM 1721 N TRP A 110 14.831 -10.373 1.084 1.00 0.00 N ATOM 1722 CA TRP A 110 13.597 -10.527 0.329 1.00 0.00 C ATOM 1723 C TRP A 110 13.903 -10.710 -1.146 1.00 0.00 C ATOM 1724 O TRP A 110 13.507 -11.701 -1.755 1.00 0.00 O ATOM 1725 CB TRP A 110 12.660 -9.325 0.513 1.00 0.00 C ATOM 1726 CG TRP A 110 13.335 -8.041 0.896 1.00 0.00 C ATOM 1727 CD1 TRP A 110 13.572 -7.594 2.161 1.00 0.00 C ATOM 1728 CD2 TRP A 110 13.837 -7.028 0.012 1.00 0.00 C ATOM 1729 NE1 TRP A 110 14.180 -6.364 2.120 1.00 0.00 N ATOM 1730 CE2 TRP A 110 14.354 -5.996 0.812 1.00 0.00 C ATOM 1731 CE3 TRP A 110 13.898 -6.894 -1.378 1.00 0.00 C ATOM 1732 CZ2 TRP A 110 14.920 -4.845 0.271 1.00 0.00 C ATOM 1733 CZ3 TRP A 110 14.463 -5.752 -1.915 1.00 0.00 C ATOM 1734 CH2 TRP A 110 14.966 -4.740 -1.091 1.00 0.00 C ATOM 0 H TRP A 110 15.149 -9.409 1.188 1.00 0.00 H new ATOM 0 HA TRP A 110 13.090 -11.412 0.713 1.00 0.00 H new ATOM 0 HB2 TRP A 110 12.113 -9.166 -0.416 1.00 0.00 H new ATOM 0 HB3 TRP A 110 11.924 -9.572 1.278 1.00 0.00 H new ATOM 0 HD1 TRP A 110 13.319 -8.129 3.064 1.00 0.00 H new ATOM 0 HE1 TRP A 110 14.457 -5.813 2.932 1.00 0.00 H new ATOM 0 HE3 TRP A 110 13.510 -7.670 -2.022 1.00 0.00 H new ATOM 0 HZ2 TRP A 110 15.309 -4.062 0.905 1.00 0.00 H new ATOM 0 HZ3 TRP A 110 14.517 -5.640 -2.988 1.00 0.00 H new ATOM 0 HH2 TRP A 110 15.399 -3.858 -1.540 1.00 0.00 H new ATOM 1745 N ALA A 111 14.611 -9.739 -1.713 1.00 0.00 N ATOM 1746 CA ALA A 111 14.974 -9.769 -3.126 1.00 0.00 C ATOM 1747 C ALA A 111 13.806 -10.268 -3.971 1.00 0.00 C ATOM 1748 O ALA A 111 13.955 -11.189 -4.773 1.00 0.00 O ATOM 1749 CB ALA A 111 16.206 -10.635 -3.345 1.00 0.00 C ATOM 0 H ALA A 111 14.947 -8.916 -1.212 1.00 0.00 H new ATOM 0 HA ALA A 111 15.212 -8.753 -3.440 1.00 0.00 H new ATOM 0 HB1 ALA A 111 16.460 -10.644 -4.405 1.00 0.00 H new ATOM 0 HB2 ALA A 111 17.042 -10.230 -2.775 1.00 0.00 H new ATOM 0 HB3 ALA A 111 15.999 -11.652 -3.012 1.00 0.00 H new ATOM 1755 N ASP A 112 12.642 -9.652 -3.750 1.00 0.00 N ATOM 1756 CA ASP A 112 11.397 -9.998 -4.442 1.00 0.00 C ATOM 1757 C ASP A 112 10.549 -10.918 -3.579 1.00 0.00 C ATOM 1758 O ASP A 112 9.323 -10.910 -3.669 1.00 0.00 O ATOM 1759 CB ASP A 112 11.652 -10.637 -5.814 1.00 0.00 C ATOM 1760 CG ASP A 112 12.591 -9.810 -6.672 1.00 0.00 C ATOM 1761 OD1 ASP A 112 12.295 -8.617 -6.894 1.00 0.00 O ATOM 1762 OD2 ASP A 112 13.620 -10.355 -7.122 1.00 0.00 O ATOM 0 H ASP A 112 12.536 -8.891 -3.079 1.00 0.00 H new ATOM 0 HA ASP A 112 10.855 -9.068 -4.615 1.00 0.00 H new ATOM 0 HB2 ASP A 112 12.073 -11.633 -5.675 1.00 0.00 H new ATOM 0 HB3 ASP A 112 10.703 -10.762 -6.335 1.00 0.00 H new ATOM 1767 N VAL A 113 11.210 -11.688 -2.724 1.00 0.00 N ATOM 1768 CA VAL A 113 10.524 -12.589 -1.817 1.00 0.00 C ATOM 1769 C VAL A 113 9.881 -13.756 -2.554 1.00 0.00 C ATOM 1770 O VAL A 113 10.252 -14.911 -2.345 1.00 0.00 O ATOM 1771 CB VAL A 113 9.450 -11.833 -1.013 1.00 0.00 C ATOM 1772 CG1 VAL A 113 8.796 -12.744 0.009 1.00 0.00 C ATOM 1773 CG2 VAL A 113 10.055 -10.614 -0.338 1.00 0.00 C ATOM 0 H VAL A 113 12.227 -11.704 -2.642 1.00 0.00 H new ATOM 0 HA VAL A 113 11.275 -12.990 -1.136 1.00 0.00 H new ATOM 0 HB VAL A 113 8.678 -11.497 -1.705 1.00 0.00 H new ATOM 0 HG11 VAL A 113 8.041 -12.186 0.564 1.00 0.00 H new ATOM 0 HG12 VAL A 113 8.324 -13.584 -0.501 1.00 0.00 H new ATOM 0 HG13 VAL A 113 9.552 -13.117 0.700 1.00 0.00 H new ATOM 0 HG21 VAL A 113 9.283 -10.090 0.226 1.00 0.00 H new ATOM 0 HG22 VAL A 113 10.849 -10.929 0.339 1.00 0.00 H new ATOM 0 HG23 VAL A 113 10.467 -9.946 -1.094 1.00 0.00 H new ATOM 1920 N LYS A 123 4.169 -4.709 10.096 1.00 0.00 N ATOM 1921 CA LYS A 123 3.299 -4.050 11.062 1.00 0.00 C ATOM 1922 C LYS A 123 3.506 -2.537 11.005 1.00 0.00 C ATOM 1923 O LYS A 123 2.619 -1.761 11.361 1.00 0.00 O ATOM 1924 CB LYS A 123 3.575 -4.573 12.475 1.00 0.00 C ATOM 1925 CG LYS A 123 2.334 -5.094 13.183 1.00 0.00 C ATOM 1926 CD LYS A 123 2.391 -6.602 13.382 1.00 0.00 C ATOM 1927 CE LYS A 123 2.659 -6.963 14.835 1.00 0.00 C ATOM 1928 NZ LYS A 123 1.410 -7.344 15.551 1.00 0.00 N ATOM 0 HA LYS A 123 2.262 -4.273 10.809 1.00 0.00 H new ATOM 0 HB2 LYS A 123 4.314 -5.372 12.420 1.00 0.00 H new ATOM 0 HB3 LYS A 123 4.014 -3.773 13.071 1.00 0.00 H new ATOM 0 HG2 LYS A 123 2.234 -4.603 14.151 1.00 0.00 H new ATOM 0 HG3 LYS A 123 1.448 -4.837 12.602 1.00 0.00 H new ATOM 0 HD2 LYS A 123 1.449 -7.048 13.063 1.00 0.00 H new ATOM 0 HD3 LYS A 123 3.173 -7.024 12.751 1.00 0.00 H new ATOM 0 HE2 LYS A 123 3.369 -7.789 14.879 1.00 0.00 H new ATOM 0 HE3 LYS A 123 3.123 -6.116 15.340 1.00 0.00 H new ATOM 0 HZ1 LYS A 123 1.635 -7.583 16.538 1.00 0.00 H new ATOM 0 HZ2 LYS A 123 0.742 -6.547 15.531 1.00 0.00 H new ATOM 0 HZ3 LYS A 123 0.980 -8.168 15.085 1.00 0.00 H new ATOM 1942 N GLN A 124 4.687 -2.132 10.542 1.00 0.00 N ATOM 1943 CA GLN A 124 5.029 -0.722 10.417 1.00 0.00 C ATOM 1944 C GLN A 124 4.037 -0.001 9.515 1.00 0.00 C ATOM 1945 O GLN A 124 3.195 0.766 9.982 1.00 0.00 O ATOM 1946 CB GLN A 124 6.437 -0.575 9.846 1.00 0.00 C ATOM 1947 CG GLN A 124 7.509 -0.385 10.906 1.00 0.00 C ATOM 1948 CD GLN A 124 8.065 -1.700 11.416 1.00 0.00 C ATOM 1949 OE1 GLN A 124 8.771 -2.408 10.698 1.00 0.00 O ATOM 1950 NE2 GLN A 124 7.749 -2.033 12.661 1.00 0.00 N ATOM 0 H GLN A 124 5.427 -2.769 10.246 1.00 0.00 H new ATOM 0 HA GLN A 124 4.989 -0.273 11.409 1.00 0.00 H new ATOM 0 HB2 GLN A 124 6.675 -1.460 9.256 1.00 0.00 H new ATOM 0 HB3 GLN A 124 6.457 0.276 9.165 1.00 0.00 H new ATOM 0 HG2 GLN A 124 8.321 0.213 10.493 1.00 0.00 H new ATOM 0 HG3 GLN A 124 7.093 0.178 11.742 1.00 0.00 H new ATOM 0 HE21 GLN A 124 7.161 -1.415 13.220 1.00 0.00 H new ATOM 0 HE22 GLN A 124 8.095 -2.906 13.059 1.00 0.00 H new ATOM 1959 N LEU A 125 4.146 -0.255 8.216 1.00 0.00 N ATOM 1960 CA LEU A 125 3.267 0.364 7.236 1.00 0.00 C ATOM 1961 C LEU A 125 1.811 0.244 7.661 1.00 0.00 C ATOM 1962 O LEU A 125 1.014 1.155 7.442 1.00 0.00 O ATOM 1963 CB LEU A 125 3.469 -0.279 5.865 1.00 0.00 C ATOM 1964 CG LEU A 125 2.828 -1.657 5.679 1.00 0.00 C ATOM 1965 CD1 LEU A 125 1.399 -1.524 5.180 1.00 0.00 C ATOM 1966 CD2 LEU A 125 3.647 -2.492 4.710 1.00 0.00 C ATOM 0 H LEU A 125 4.839 -0.889 7.817 1.00 0.00 H new ATOM 0 HA LEU A 125 3.519 1.423 7.172 1.00 0.00 H new ATOM 0 HB2 LEU A 125 3.069 0.393 5.106 1.00 0.00 H new ATOM 0 HB3 LEU A 125 4.539 -0.368 5.680 1.00 0.00 H new ATOM 0 HG LEU A 125 2.808 -2.158 6.647 1.00 0.00 H new ATOM 0 HD11 LEU A 125 0.963 -2.515 5.055 1.00 0.00 H new ATOM 0 HD12 LEU A 125 0.812 -0.958 5.904 1.00 0.00 H new ATOM 0 HD13 LEU A 125 1.395 -1.003 4.223 1.00 0.00 H new ATOM 0 HD21 LEU A 125 3.180 -3.469 4.587 1.00 0.00 H new ATOM 0 HD22 LEU A 125 3.694 -1.988 3.745 1.00 0.00 H new ATOM 0 HD23 LEU A 125 4.656 -2.619 5.102 1.00 0.00 H new ATOM 1978 N ASP A 126 1.470 -0.883 8.276 1.00 0.00 N ATOM 1979 CA ASP A 126 0.103 -1.099 8.731 1.00 0.00 C ATOM 1980 C ASP A 126 -0.300 -0.006 9.714 1.00 0.00 C ATOM 1981 O ASP A 126 -1.400 0.545 9.639 1.00 0.00 O ATOM 1982 CB ASP A 126 -0.050 -2.472 9.388 1.00 0.00 C ATOM 1983 CG ASP A 126 0.660 -3.571 8.619 1.00 0.00 C ATOM 1984 OD1 ASP A 126 1.076 -3.319 7.470 1.00 0.00 O ATOM 1985 OD2 ASP A 126 0.798 -4.684 9.168 1.00 0.00 O ATOM 0 H ASP A 126 2.112 -1.652 8.469 1.00 0.00 H new ATOM 0 HA ASP A 126 -0.552 -1.062 7.861 1.00 0.00 H new ATOM 0 HB2 ASP A 126 0.345 -2.431 10.403 1.00 0.00 H new ATOM 0 HB3 ASP A 126 -1.109 -2.716 9.468 1.00 0.00 H new ATOM 1990 N THR A 127 0.611 0.307 10.627 1.00 0.00 N ATOM 1991 CA THR A 127 0.374 1.340 11.625 1.00 0.00 C ATOM 1992 C THR A 127 0.309 2.718 10.973 1.00 0.00 C ATOM 1993 O THR A 127 -0.358 3.620 11.478 1.00 0.00 O ATOM 1994 CB THR A 127 1.475 1.316 12.686 1.00 0.00 C ATOM 1995 OG1 THR A 127 1.662 0.002 13.184 1.00 0.00 O ATOM 1996 CG2 THR A 127 1.189 2.217 13.867 1.00 0.00 C ATOM 0 H THR A 127 1.524 -0.142 10.696 1.00 0.00 H new ATOM 0 HA THR A 127 -0.584 1.137 12.103 1.00 0.00 H new ATOM 0 HB THR A 127 2.370 1.680 12.181 1.00 0.00 H new ATOM 0 HG1 THR A 127 2.124 -0.540 12.511 1.00 0.00 H new ATOM 0 HG21 THR A 127 2.010 2.152 14.581 1.00 0.00 H new ATOM 0 HG22 THR A 127 1.088 3.246 13.523 1.00 0.00 H new ATOM 0 HG23 THR A 127 0.263 1.903 14.349 1.00 0.00 H new ATOM 2004 N TYR A 128 1.004 2.873 9.847 1.00 0.00 N ATOM 2005 CA TYR A 128 1.021 4.138 9.130 1.00 0.00 C ATOM 2006 C TYR A 128 -0.346 4.426 8.528 1.00 0.00 C ATOM 2007 O TYR A 128 -0.964 5.446 8.828 1.00 0.00 O ATOM 2008 CB TYR A 128 2.088 4.114 8.030 1.00 0.00 C ATOM 2009 CG TYR A 128 3.340 4.885 8.386 1.00 0.00 C ATOM 2010 CD1 TYR A 128 3.298 6.259 8.585 1.00 0.00 C ATOM 2011 CD2 TYR A 128 4.561 4.238 8.522 1.00 0.00 C ATOM 2012 CE1 TYR A 128 4.440 6.967 8.910 1.00 0.00 C ATOM 2013 CE2 TYR A 128 5.707 4.940 8.848 1.00 0.00 C ATOM 2014 CZ TYR A 128 5.641 6.304 9.040 1.00 0.00 C ATOM 2015 OH TYR A 128 6.779 7.005 9.364 1.00 0.00 O ATOM 0 H TYR A 128 1.561 2.136 9.415 1.00 0.00 H new ATOM 0 HA TYR A 128 1.265 4.931 9.837 1.00 0.00 H new ATOM 0 HB2 TYR A 128 2.356 3.079 7.818 1.00 0.00 H new ATOM 0 HB3 TYR A 128 1.664 4.527 7.115 1.00 0.00 H new ATOM 0 HD1 TYR A 128 2.359 6.782 8.484 1.00 0.00 H new ATOM 0 HD2 TYR A 128 4.617 3.170 8.371 1.00 0.00 H new ATOM 0 HE1 TYR A 128 4.391 8.035 9.061 1.00 0.00 H new ATOM 0 HE2 TYR A 128 6.649 4.422 8.952 1.00 0.00 H new ATOM 0 HH TYR A 128 7.478 6.380 9.651 1.00 0.00 H new ATOM 2025 N ILE A 129 -0.820 3.517 7.685 1.00 0.00 N ATOM 2026 CA ILE A 129 -2.110 3.668 7.048 1.00 0.00 C ATOM 2027 C ILE A 129 -3.219 3.817 8.085 1.00 0.00 C ATOM 2028 O ILE A 129 -4.199 4.530 7.864 1.00 0.00 O ATOM 2029 CB ILE A 129 -2.408 2.458 6.149 1.00 0.00 C ATOM 2030 CG1 ILE A 129 -3.670 2.722 5.329 1.00 0.00 C ATOM 2031 CG2 ILE A 129 -2.539 1.190 6.987 1.00 0.00 C ATOM 2032 CD1 ILE A 129 -4.829 1.849 5.718 1.00 0.00 C ATOM 0 H ILE A 129 -0.322 2.664 7.429 1.00 0.00 H new ATOM 0 HA ILE A 129 -2.077 4.572 6.439 1.00 0.00 H new ATOM 0 HB ILE A 129 -1.578 2.309 5.458 1.00 0.00 H new ATOM 0 HG12 ILE A 129 -3.957 3.767 5.445 1.00 0.00 H new ATOM 0 HG13 ILE A 129 -3.447 2.568 4.273 1.00 0.00 H new ATOM 0 HG21 ILE A 129 -2.750 0.343 6.334 1.00 0.00 H new ATOM 0 HG22 ILE A 129 -1.608 1.011 7.524 1.00 0.00 H new ATOM 0 HG23 ILE A 129 -3.353 1.309 7.702 1.00 0.00 H new ATOM 0 HD11 ILE A 129 -5.691 2.090 5.096 1.00 0.00 H new ATOM 0 HD12 ILE A 129 -4.560 0.802 5.576 1.00 0.00 H new ATOM 0 HD13 ILE A 129 -5.078 2.020 6.765 1.00 0.00 H new ATOM 2044 N SER A 130 -3.057 3.139 9.216 1.00 0.00 N ATOM 2045 CA SER A 130 -4.043 3.194 10.289 1.00 0.00 C ATOM 2046 C SER A 130 -4.089 4.583 10.912 1.00 0.00 C ATOM 2047 O SER A 130 -5.158 5.176 11.054 1.00 0.00 O ATOM 2048 CB SER A 130 -3.720 2.149 11.359 1.00 0.00 C ATOM 2049 OG SER A 130 -4.893 1.486 11.794 1.00 0.00 O ATOM 0 H SER A 130 -2.252 2.545 9.413 1.00 0.00 H new ATOM 0 HA SER A 130 -5.022 2.975 9.863 1.00 0.00 H new ATOM 0 HB2 SER A 130 -3.014 1.421 10.959 1.00 0.00 H new ATOM 0 HB3 SER A 130 -3.235 2.631 12.208 1.00 0.00 H new ATOM 0 HG SER A 130 -4.660 0.822 12.476 1.00 0.00 H new ATOM 2055 N LYS A 131 -2.922 5.098 11.278 1.00 0.00 N ATOM 2056 CA LYS A 131 -2.828 6.421 11.881 1.00 0.00 C ATOM 2057 C LYS A 131 -3.000 7.506 10.825 1.00 0.00 C ATOM 2058 O LYS A 131 -3.425 8.620 11.130 1.00 0.00 O ATOM 2059 CB LYS A 131 -1.486 6.591 12.597 1.00 0.00 C ATOM 2060 CG LYS A 131 -0.284 6.502 11.670 1.00 0.00 C ATOM 2061 CD LYS A 131 -0.037 7.815 10.944 1.00 0.00 C ATOM 2062 CE LYS A 131 1.354 8.360 11.230 1.00 0.00 C ATOM 2063 NZ LYS A 131 1.420 9.838 11.048 1.00 0.00 N ATOM 0 H LYS A 131 -2.028 4.620 11.168 1.00 0.00 H new ATOM 0 HA LYS A 131 -3.629 6.518 12.613 1.00 0.00 H new ATOM 0 HB2 LYS A 131 -1.473 7.557 13.102 1.00 0.00 H new ATOM 0 HB3 LYS A 131 -1.396 5.826 13.369 1.00 0.00 H new ATOM 0 HG2 LYS A 131 0.601 6.232 12.246 1.00 0.00 H new ATOM 0 HG3 LYS A 131 -0.444 5.707 10.941 1.00 0.00 H new ATOM 0 HD2 LYS A 131 -0.156 7.666 9.871 1.00 0.00 H new ATOM 0 HD3 LYS A 131 -0.785 8.547 11.250 1.00 0.00 H new ATOM 0 HE2 LYS A 131 1.640 8.107 12.251 1.00 0.00 H new ATOM 0 HE3 LYS A 131 2.075 7.880 10.568 1.00 0.00 H new ATOM 0 HZ1 LYS A 131 2.384 10.170 11.252 1.00 0.00 H new ATOM 0 HZ2 LYS A 131 1.172 10.078 10.067 1.00 0.00 H new ATOM 0 HZ3 LYS A 131 0.750 10.298 11.697 1.00 0.00 H new ATOM 2077 N TYR A 132 -2.674 7.173 9.577 1.00 0.00 N ATOM 2078 CA TYR A 132 -2.800 8.121 8.480 1.00 0.00 C ATOM 2079 C TYR A 132 -4.243 8.599 8.350 1.00 0.00 C ATOM 2080 O TYR A 132 -4.505 9.800 8.395 1.00 0.00 O ATOM 2081 CB TYR A 132 -2.317 7.495 7.169 1.00 0.00 C ATOM 2082 CG TYR A 132 -1.015 8.090 6.676 1.00 0.00 C ATOM 2083 CD1 TYR A 132 -1.001 9.310 6.012 1.00 0.00 C ATOM 2084 CD2 TYR A 132 0.199 7.443 6.880 1.00 0.00 C ATOM 2085 CE1 TYR A 132 0.180 9.868 5.565 1.00 0.00 C ATOM 2086 CE2 TYR A 132 1.386 7.995 6.435 1.00 0.00 C ATOM 2087 CZ TYR A 132 1.371 9.207 5.778 1.00 0.00 C ATOM 2088 OH TYR A 132 2.550 9.760 5.335 1.00 0.00 O ATOM 0 H TYR A 132 -2.322 6.255 9.304 1.00 0.00 H new ATOM 0 HA TYR A 132 -2.171 8.985 8.697 1.00 0.00 H new ATOM 0 HB2 TYR A 132 -2.190 6.422 7.310 1.00 0.00 H new ATOM 0 HB3 TYR A 132 -3.083 7.627 6.405 1.00 0.00 H new ATOM 0 HD1 TYR A 132 -1.931 9.832 5.842 1.00 0.00 H new ATOM 0 HD2 TYR A 132 0.215 6.494 7.395 1.00 0.00 H new ATOM 0 HE1 TYR A 132 0.171 10.818 5.051 1.00 0.00 H new ATOM 0 HE2 TYR A 132 2.320 7.479 6.601 1.00 0.00 H new ATOM 0 HH TYR A 132 3.296 9.168 5.566 1.00 0.00 H new ATOM 2098 N GLN A 133 -5.168 7.643 8.209 1.00 0.00 N ATOM 2099 CA GLN A 133 -6.607 7.925 8.087 1.00 0.00 C ATOM 2100 C GLN A 133 -6.895 9.401 7.801 1.00 0.00 C ATOM 2101 O GLN A 133 -7.596 10.066 8.566 1.00 0.00 O ATOM 2102 CB GLN A 133 -7.333 7.497 9.364 1.00 0.00 C ATOM 2103 CG GLN A 133 -7.763 6.040 9.361 1.00 0.00 C ATOM 2104 CD GLN A 133 -8.739 5.717 10.476 1.00 0.00 C ATOM 2105 OE1 GLN A 133 -8.338 5.441 11.607 1.00 0.00 O ATOM 2106 NE2 GLN A 133 -10.029 5.750 10.163 1.00 0.00 N ATOM 0 H GLN A 133 -4.942 6.649 8.176 1.00 0.00 H new ATOM 0 HA GLN A 133 -6.974 7.351 7.236 1.00 0.00 H new ATOM 0 HB2 GLN A 133 -6.680 7.673 10.219 1.00 0.00 H new ATOM 0 HB3 GLN A 133 -8.213 8.126 9.500 1.00 0.00 H new ATOM 0 HG2 GLN A 133 -8.222 5.803 8.401 1.00 0.00 H new ATOM 0 HG3 GLN A 133 -6.882 5.405 9.459 1.00 0.00 H new ATOM 0 HE21 GLN A 133 -10.317 5.984 9.213 1.00 0.00 H new ATOM 0 HE22 GLN A 133 -10.731 5.542 10.873 1.00 0.00 H new