USER MOD reduce.3.24.130724 H: found=0, std=0, add=913, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 914 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 74 ASN : amide:sc= 0.323 K(o=1.6,f=0.82) USER MOD Set 1.2: A 100 LYS NZ :NH3+ -100:sc= 1.28 (180deg=0.0527) USER MOD Set 2.1: A 23 GLN :FLIP amide:sc= -1.55 F(o=-1.5,f=-0.1) USER MOD Set 2.2: A 46 LYS NZ :NH3+ -147:sc= 1.45 (180deg=-0.166) USER MOD Single : A 8 SER OG : rot 180:sc= 0.127 USER MOD Single : A 10 LYS NZ :NH3+ 161:sc= 0 (180deg=-0.199) USER MOD Single : A 11 ASN : amide:sc= -0.0487 X(o=-0.049,f=-0.00015) USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 76:sc= 0.252 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 THR OG1 : rot 180:sc= -0.792 USER MOD Single : A 21 ASN : amide:sc= 0.136 X(o=0.14,f=0) USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 GLN : amide:sc= -0.0243 K(o=-0.024,f=-3.3!) USER MOD Single : A 38 SER OG : rot -91:sc= 0.3 USER MOD Single : A 40 ASN : amide:sc= -0.228 K(o=-0.23,f=-7.2!) USER MOD Single : A 42 LYS NZ :NH3+ 178:sc= 0.414 (180deg=0.414) USER MOD Single : A 47 LYS NZ :NH3+ -152:sc= 0 (180deg=-0.354) USER MOD Single : A 50 SER OG : rot 180:sc= 0.0413 USER MOD Single : A 51 THR OG1 : rot 0:sc= 0.52 USER MOD Single : A 53 TYR OH : rot 180:sc= -0.796 USER MOD Single : A 54 ASN : amide:sc= -0.0486 X(o=-0.049,f=-0.049) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 THR OG1 : rot 76:sc= 1.23 USER MOD Single : A 76 THR OG1 : rot 102:sc= 1.29 USER MOD Single : A 78 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 87 SER OG : rot -89:sc= 0.527 USER MOD Single : A 97 ASN : amide:sc= 0.702 K(o=0.7,f=0) USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 103 TYR OH : rot 180:sc= 0 USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 ASN : amide:sc= -0.0454 K(o=-0.045,f=-1.1) USER MOD Single : A 118 SER OG : rot -150:sc= -0.278 USER MOD Single : A 119 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 59 N GLY A 7 -2.694 8.787 -8.478 1.00 0.00 N ATOM 60 CA GLY A 7 -2.001 10.049 -8.404 1.00 0.00 C ATOM 61 C GLY A 7 -0.504 9.820 -8.236 1.00 0.00 C ATOM 62 O GLY A 7 -0.023 8.687 -8.167 1.00 0.00 O ATOM 0 HA2 GLY A 7 -2.188 10.628 -9.308 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -2.383 10.633 -7.567 1.00 0.00 H new ATOM 66 N SER A 8 0.221 10.930 -8.165 1.00 0.00 N ATOM 67 CA SER A 8 1.644 10.983 -7.864 1.00 0.00 C ATOM 68 C SER A 8 1.911 10.251 -6.548 1.00 0.00 C ATOM 69 O SER A 8 1.007 10.150 -5.720 1.00 0.00 O ATOM 70 CB SER A 8 2.060 12.459 -7.734 1.00 0.00 C ATOM 71 OG SER A 8 1.154 13.340 -8.389 1.00 0.00 O ATOM 0 H SER A 8 -0.183 11.853 -8.322 1.00 0.00 H new ATOM 0 HA SER A 8 2.217 10.505 -8.658 1.00 0.00 H new ATOM 0 HB2 SER A 8 2.121 12.724 -6.679 1.00 0.00 H new ATOM 0 HB3 SER A 8 3.057 12.590 -8.154 1.00 0.00 H new ATOM 0 HG SER A 8 1.459 14.265 -8.278 1.00 0.00 H new ATOM 77 N ALA A 9 3.153 9.858 -6.279 1.00 0.00 N ATOM 78 CA ALA A 9 3.494 9.099 -5.086 1.00 0.00 C ATOM 79 C ALA A 9 2.994 9.763 -3.803 1.00 0.00 C ATOM 80 O ALA A 9 2.245 9.128 -3.067 1.00 0.00 O ATOM 81 CB ALA A 9 4.983 8.785 -5.053 1.00 0.00 C ATOM 0 H ALA A 9 3.949 10.058 -6.884 1.00 0.00 H new ATOM 0 HA ALA A 9 2.965 8.147 -5.138 1.00 0.00 H new ATOM 0 HB1 ALA A 9 5.215 8.217 -4.152 1.00 0.00 H new ATOM 0 HB2 ALA A 9 5.251 8.198 -5.931 1.00 0.00 H new ATOM 0 HB3 ALA A 9 5.551 9.715 -5.052 1.00 0.00 H new ATOM 87 N LYS A 10 3.303 11.040 -3.544 1.00 0.00 N ATOM 88 CA LYS A 10 2.749 11.736 -2.373 1.00 0.00 C ATOM 89 C LYS A 10 1.224 11.779 -2.346 1.00 0.00 C ATOM 90 O LYS A 10 0.683 11.967 -1.268 1.00 0.00 O ATOM 91 CB LYS A 10 3.236 13.189 -2.291 1.00 0.00 C ATOM 92 CG LYS A 10 4.620 13.324 -1.653 1.00 0.00 C ATOM 93 CD LYS A 10 4.822 14.729 -1.074 1.00 0.00 C ATOM 94 CE LYS A 10 4.032 14.989 0.221 1.00 0.00 C ATOM 95 NZ LYS A 10 4.597 14.312 1.405 1.00 0.00 N ATOM 0 H LYS A 10 3.925 11.607 -4.120 1.00 0.00 H new ATOM 0 HA LYS A 10 3.106 11.150 -1.526 1.00 0.00 H new ATOM 0 HB2 LYS A 10 3.262 13.614 -3.294 1.00 0.00 H new ATOM 0 HB3 LYS A 10 2.519 13.774 -1.716 1.00 0.00 H new ATOM 0 HG2 LYS A 10 4.735 12.581 -0.864 1.00 0.00 H new ATOM 0 HG3 LYS A 10 5.389 13.119 -2.397 1.00 0.00 H new ATOM 0 HD2 LYS A 10 5.883 14.881 -0.877 1.00 0.00 H new ATOM 0 HD3 LYS A 10 4.528 15.465 -1.822 1.00 0.00 H new ATOM 0 HE2 LYS A 10 4.000 16.062 0.408 1.00 0.00 H new ATOM 0 HE3 LYS A 10 3.003 14.659 0.081 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 4.237 14.765 2.269 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 4.318 13.310 1.398 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 5.634 14.383 1.383 1.00 0.00 H new ATOM 109 N ASN A 11 0.518 11.682 -3.474 1.00 0.00 N ATOM 110 CA ASN A 11 -0.932 11.872 -3.509 1.00 0.00 C ATOM 111 C ASN A 11 -1.632 10.924 -2.537 1.00 0.00 C ATOM 112 O ASN A 11 -2.656 11.296 -1.972 1.00 0.00 O ATOM 113 CB ASN A 11 -1.479 11.679 -4.930 1.00 0.00 C ATOM 114 CG ASN A 11 -2.827 12.349 -5.171 1.00 0.00 C ATOM 115 OD1 ASN A 11 -2.936 13.153 -6.096 1.00 0.00 O ATOM 116 ND2 ASN A 11 -3.856 12.062 -4.396 1.00 0.00 N ATOM 0 H ASN A 11 0.932 11.471 -4.382 1.00 0.00 H new ATOM 0 HA ASN A 11 -1.138 12.896 -3.199 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -0.756 12.074 -5.644 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -1.574 10.612 -5.130 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -4.758 12.509 -4.560 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -3.749 11.393 -3.633 1.00 0.00 H new ATOM 123 N ALA A 12 -1.085 9.723 -2.329 1.00 0.00 N ATOM 124 CA ALA A 12 -1.565 8.825 -1.297 1.00 0.00 C ATOM 125 C ALA A 12 -1.091 9.292 0.083 1.00 0.00 C ATOM 126 O ALA A 12 -1.927 9.684 0.885 1.00 0.00 O ATOM 127 CB ALA A 12 -1.170 7.388 -1.642 1.00 0.00 C ATOM 0 H ALA A 12 -0.303 9.356 -2.871 1.00 0.00 H new ATOM 0 HA ALA A 12 -2.654 8.843 -1.253 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -1.532 6.715 -0.865 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -1.612 7.109 -2.599 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -0.084 7.315 -1.709 1.00 0.00 H new ATOM 133 N TYR A 13 0.218 9.316 0.363 1.00 0.00 N ATOM 134 CA TYR A 13 0.784 9.649 1.676 1.00 0.00 C ATOM 135 C TYR A 13 0.225 10.941 2.272 1.00 0.00 C ATOM 136 O TYR A 13 -0.097 10.959 3.458 1.00 0.00 O ATOM 137 CB TYR A 13 2.303 9.753 1.625 1.00 0.00 C ATOM 138 CG TYR A 13 2.917 10.112 2.964 1.00 0.00 C ATOM 139 CD1 TYR A 13 3.151 9.110 3.928 1.00 0.00 C ATOM 140 CD2 TYR A 13 3.194 11.459 3.267 1.00 0.00 C ATOM 141 CE1 TYR A 13 3.680 9.448 5.188 1.00 0.00 C ATOM 142 CE2 TYR A 13 3.761 11.798 4.503 1.00 0.00 C ATOM 143 CZ TYR A 13 4.010 10.794 5.464 1.00 0.00 C ATOM 144 OH TYR A 13 4.554 11.134 6.661 1.00 0.00 O ATOM 0 H TYR A 13 0.930 9.099 -0.334 1.00 0.00 H new ATOM 0 HA TYR A 13 0.488 8.823 2.323 1.00 0.00 H new ATOM 0 HB2 TYR A 13 2.716 8.803 1.285 1.00 0.00 H new ATOM 0 HB3 TYR A 13 2.586 10.505 0.888 1.00 0.00 H new ATOM 0 HD1 TYR A 13 2.924 8.079 3.699 1.00 0.00 H new ATOM 0 HD2 TYR A 13 2.969 12.231 2.546 1.00 0.00 H new ATOM 0 HE1 TYR A 13 3.832 8.685 5.937 1.00 0.00 H new ATOM 0 HE2 TYR A 13 4.007 12.827 4.720 1.00 0.00 H new ATOM 0 HH TYR A 13 4.720 12.100 6.683 1.00 0.00 H new ATOM 154 N THR A 14 0.109 12.000 1.467 1.00 0.00 N ATOM 155 CA THR A 14 -0.513 13.238 1.886 1.00 0.00 C ATOM 156 C THR A 14 -1.867 12.916 2.537 1.00 0.00 C ATOM 157 O THR A 14 -2.094 13.222 3.708 1.00 0.00 O ATOM 158 CB THR A 14 -0.644 14.188 0.679 1.00 0.00 C ATOM 159 OG1 THR A 14 0.613 14.489 0.098 1.00 0.00 O ATOM 160 CG2 THR A 14 -1.293 15.512 1.076 1.00 0.00 C ATOM 0 H THR A 14 0.448 12.013 0.505 1.00 0.00 H new ATOM 0 HA THR A 14 0.100 13.751 2.627 1.00 0.00 H new ATOM 0 HB THR A 14 -1.267 13.660 -0.042 1.00 0.00 H new ATOM 0 HG1 THR A 14 0.924 13.721 -0.425 1.00 0.00 H new ATOM 0 HG21 THR A 14 -1.369 16.157 0.200 1.00 0.00 H new ATOM 0 HG22 THR A 14 -2.289 15.323 1.476 1.00 0.00 H new ATOM 0 HG23 THR A 14 -0.684 16.002 1.836 1.00 0.00 H new ATOM 168 N LYS A 15 -2.765 12.288 1.771 1.00 0.00 N ATOM 169 CA LYS A 15 -4.126 11.970 2.187 1.00 0.00 C ATOM 170 C LYS A 15 -4.206 10.891 3.253 1.00 0.00 C ATOM 171 O LYS A 15 -5.206 10.820 3.957 1.00 0.00 O ATOM 172 CB LYS A 15 -4.970 11.609 0.959 1.00 0.00 C ATOM 173 CG LYS A 15 -5.033 12.726 -0.092 1.00 0.00 C ATOM 174 CD LYS A 15 -5.474 14.065 0.521 1.00 0.00 C ATOM 175 CE LYS A 15 -5.711 15.135 -0.538 1.00 0.00 C ATOM 176 NZ LYS A 15 -7.032 14.988 -1.191 1.00 0.00 N ATOM 0 H LYS A 15 -2.556 11.981 0.821 1.00 0.00 H new ATOM 0 HA LYS A 15 -4.532 12.865 2.659 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -4.560 10.710 0.498 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -5.983 11.368 1.282 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -4.054 12.844 -0.556 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -5.728 12.442 -0.882 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -6.389 13.916 1.095 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -4.712 14.411 1.220 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -5.642 16.121 -0.079 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -4.926 15.079 -1.292 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -7.152 15.736 -1.904 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -7.090 14.058 -1.652 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -7.783 15.068 -0.476 1.00 0.00 H new ATOM 190 N LEU A 16 -3.168 10.085 3.424 1.00 0.00 N ATOM 191 CA LEU A 16 -2.972 9.163 4.491 1.00 0.00 C ATOM 192 C LEU A 16 -2.973 9.891 5.830 1.00 0.00 C ATOM 193 O LEU A 16 -3.701 9.493 6.733 1.00 0.00 O ATOM 194 CB LEU A 16 -1.645 8.451 4.176 1.00 0.00 C ATOM 195 CG LEU A 16 -1.874 6.961 4.083 1.00 0.00 C ATOM 196 CD1 LEU A 16 -2.516 6.580 2.754 1.00 0.00 C ATOM 197 CD2 LEU A 16 -0.569 6.181 4.218 1.00 0.00 C ATOM 0 H LEU A 16 -2.393 10.071 2.761 1.00 0.00 H new ATOM 0 HA LEU A 16 -3.774 8.429 4.575 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -1.235 8.825 3.238 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -0.912 8.668 4.953 1.00 0.00 H new ATOM 0 HG LEU A 16 -2.541 6.704 4.906 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -2.667 5.501 2.719 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -3.477 7.085 2.656 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -1.863 6.881 1.935 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -0.774 5.113 4.146 1.00 0.00 H new ATOM 0 HD22 LEU A 16 0.114 6.474 3.421 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -0.113 6.399 5.184 1.00 0.00 H new ATOM 209 N GLY A 17 -2.162 10.943 5.964 1.00 0.00 N ATOM 210 CA GLY A 17 -2.083 11.699 7.206 1.00 0.00 C ATOM 211 C GLY A 17 -3.281 12.626 7.374 1.00 0.00 C ATOM 212 O GLY A 17 -3.827 12.735 8.474 1.00 0.00 O ATOM 0 H GLY A 17 -1.551 11.287 5.223 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -2.034 11.010 8.050 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -1.164 12.285 7.218 1.00 0.00 H new ATOM 216 N THR A 18 -3.691 13.312 6.304 1.00 0.00 N ATOM 217 CA THR A 18 -4.711 14.355 6.411 1.00 0.00 C ATOM 218 C THR A 18 -6.116 13.787 6.648 1.00 0.00 C ATOM 219 O THR A 18 -6.963 14.481 7.216 1.00 0.00 O ATOM 220 CB THR A 18 -4.673 15.313 5.207 1.00 0.00 C ATOM 221 OG1 THR A 18 -4.928 14.660 3.992 1.00 0.00 O ATOM 222 CG2 THR A 18 -3.328 16.034 5.063 1.00 0.00 C ATOM 0 H THR A 18 -3.334 13.164 5.360 1.00 0.00 H new ATOM 0 HA THR A 18 -4.465 14.938 7.298 1.00 0.00 H new ATOM 0 HB THR A 18 -5.460 16.038 5.416 1.00 0.00 H new ATOM 0 HG1 THR A 18 -4.895 15.309 3.258 1.00 0.00 H new ATOM 0 HG21 THR A 18 -3.361 16.696 4.197 1.00 0.00 H new ATOM 0 HG22 THR A 18 -3.132 16.620 5.961 1.00 0.00 H new ATOM 0 HG23 THR A 18 -2.534 15.299 4.928 1.00 0.00 H new ATOM 230 N ASP A 19 -6.389 12.534 6.279 1.00 0.00 N ATOM 231 CA ASP A 19 -7.717 11.937 6.440 1.00 0.00 C ATOM 232 C ASP A 19 -7.980 11.427 7.846 1.00 0.00 C ATOM 233 O ASP A 19 -9.135 11.260 8.239 1.00 0.00 O ATOM 234 CB ASP A 19 -7.862 10.780 5.460 1.00 0.00 C ATOM 235 CG ASP A 19 -9.266 10.191 5.404 1.00 0.00 C ATOM 236 OD1 ASP A 19 -10.206 10.956 5.093 1.00 0.00 O ATOM 237 OD2 ASP A 19 -9.451 8.960 5.506 1.00 0.00 O ATOM 0 H ASP A 19 -5.700 11.907 5.862 1.00 0.00 H new ATOM 0 HA ASP A 19 -8.446 12.723 6.243 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -7.583 11.123 4.464 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -7.159 9.993 5.735 1.00 0.00 H new ATOM 242 N ASP A 20 -6.897 11.139 8.573 1.00 0.00 N ATOM 243 CA ASP A 20 -6.810 10.539 9.916 1.00 0.00 C ATOM 244 C ASP A 20 -7.478 9.151 10.030 1.00 0.00 C ATOM 245 O ASP A 20 -7.156 8.368 10.921 1.00 0.00 O ATOM 246 CB ASP A 20 -7.323 11.567 10.937 1.00 0.00 C ATOM 247 CG ASP A 20 -7.161 11.208 12.414 1.00 0.00 C ATOM 248 OD1 ASP A 20 -6.259 10.439 12.809 1.00 0.00 O ATOM 249 OD2 ASP A 20 -7.934 11.787 13.220 1.00 0.00 O ATOM 0 H ASP A 20 -5.967 11.338 8.204 1.00 0.00 H new ATOM 0 HA ASP A 20 -5.766 10.315 10.135 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -6.808 12.511 10.758 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -8.382 11.740 10.743 1.00 0.00 H new ATOM 254 N ASN A 21 -8.325 8.773 9.072 1.00 0.00 N ATOM 255 CA ASN A 21 -9.018 7.495 8.971 1.00 0.00 C ATOM 256 C ASN A 21 -8.392 6.599 7.908 1.00 0.00 C ATOM 257 O ASN A 21 -8.703 5.407 7.872 1.00 0.00 O ATOM 258 CB ASN A 21 -10.492 7.733 8.618 1.00 0.00 C ATOM 259 CG ASN A 21 -11.226 8.377 9.769 1.00 0.00 C ATOM 260 OD1 ASN A 21 -11.672 7.695 10.689 1.00 0.00 O ATOM 261 ND2 ASN A 21 -11.310 9.693 9.763 1.00 0.00 N ATOM 0 H ASN A 21 -8.558 9.394 8.297 1.00 0.00 H new ATOM 0 HA ASN A 21 -8.934 6.995 9.936 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -10.560 8.370 7.736 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -10.967 6.785 8.364 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -11.757 10.179 10.540 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -10.928 10.225 8.981 1.00 0.00 H new ATOM 268 N ALA A 22 -7.531 7.147 7.049 1.00 0.00 N ATOM 269 CA ALA A 22 -6.960 6.439 5.919 1.00 0.00 C ATOM 270 C ALA A 22 -6.023 5.315 6.374 1.00 0.00 C ATOM 271 O ALA A 22 -5.579 5.266 7.526 1.00 0.00 O ATOM 272 CB ALA A 22 -6.219 7.430 5.027 1.00 0.00 C ATOM 0 H ALA A 22 -7.210 8.112 7.127 1.00 0.00 H new ATOM 0 HA ALA A 22 -7.769 5.974 5.355 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -5.788 6.902 4.176 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -6.915 8.188 4.669 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -5.423 7.909 5.598 1.00 0.00 H new ATOM 278 N GLN A 23 -5.689 4.412 5.452 1.00 0.00 N ATOM 279 CA GLN A 23 -4.855 3.239 5.695 1.00 0.00 C ATOM 280 C GLN A 23 -3.979 2.911 4.488 1.00 0.00 C ATOM 281 O GLN A 23 -4.137 3.501 3.420 1.00 0.00 O ATOM 282 CB GLN A 23 -5.760 2.038 6.008 1.00 0.00 C ATOM 283 CG GLN A 23 -6.165 1.944 7.487 1.00 0.00 C ATOM 284 CD GLN A 23 -5.004 1.641 8.432 1.00 0.00 C ATOM 285 OE1 GLN A 23 -5.259 1.648 9.730 1.00 0.00 O flip ATOM 286 NE2 GLN A 23 -3.864 1.416 8.027 1.00 0.00 N flip ATOM 0 H GLN A 23 -6.003 4.481 4.484 1.00 0.00 H new ATOM 0 HA GLN A 23 -4.198 3.455 6.538 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -6.660 2.102 5.397 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -5.245 1.121 5.722 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -6.628 2.884 7.787 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -6.922 1.167 7.597 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -3.670 1.411 7.026 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -3.113 1.234 8.693 1.00 0.00 H new ATOM 295 N LEU A 24 -3.083 1.930 4.644 1.00 0.00 N ATOM 296 CA LEU A 24 -2.194 1.437 3.597 1.00 0.00 C ATOM 297 C LEU A 24 -2.314 -0.089 3.520 1.00 0.00 C ATOM 298 O LEU A 24 -2.208 -0.745 4.559 1.00 0.00 O ATOM 299 CB LEU A 24 -0.761 1.891 3.927 1.00 0.00 C ATOM 300 CG LEU A 24 0.245 1.985 2.768 1.00 0.00 C ATOM 301 CD1 LEU A 24 0.459 0.679 1.999 1.00 0.00 C ATOM 302 CD2 LEU A 24 -0.146 3.106 1.803 1.00 0.00 C ATOM 0 H LEU A 24 -2.956 1.445 5.532 1.00 0.00 H new ATOM 0 HA LEU A 24 -2.464 1.839 2.620 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -0.821 2.871 4.399 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -0.354 1.204 4.669 1.00 0.00 H new ATOM 0 HG LEU A 24 1.202 2.211 3.239 1.00 0.00 H new ATOM 0 HD11 LEU A 24 1.184 0.841 1.201 1.00 0.00 H new ATOM 0 HD12 LEU A 24 0.833 -0.086 2.679 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -0.487 0.351 1.569 1.00 0.00 H new ATOM 0 HD21 LEU A 24 0.579 3.156 0.990 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -1.136 2.905 1.394 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -0.159 4.057 2.336 1.00 0.00 H new ATOM 314 N LEU A 25 -2.522 -0.645 2.322 1.00 0.00 N ATOM 315 CA LEU A 25 -2.530 -2.086 2.037 1.00 0.00 C ATOM 316 C LEU A 25 -1.336 -2.376 1.131 1.00 0.00 C ATOM 317 O LEU A 25 -1.404 -2.176 -0.085 1.00 0.00 O ATOM 318 CB LEU A 25 -3.881 -2.531 1.411 1.00 0.00 C ATOM 319 CG LEU A 25 -4.415 -3.934 1.772 1.00 0.00 C ATOM 320 CD1 LEU A 25 -3.663 -5.073 1.089 1.00 0.00 C ATOM 321 CD2 LEU A 25 -4.408 -4.193 3.266 1.00 0.00 C ATOM 0 H LEU A 25 -2.697 -0.082 1.490 1.00 0.00 H new ATOM 0 HA LEU A 25 -2.436 -2.664 2.956 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -4.639 -1.801 1.696 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -3.781 -2.480 0.327 1.00 0.00 H new ATOM 0 HG LEU A 25 -5.440 -3.924 1.402 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -4.095 -6.027 1.391 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -3.743 -4.965 0.007 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -2.613 -5.042 1.380 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -4.793 -5.193 3.464 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -3.389 -4.115 3.644 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -5.037 -3.457 3.766 1.00 0.00 H new ATOM 333 N ASP A 26 -0.191 -2.752 1.702 1.00 0.00 N ATOM 334 CA ASP A 26 0.977 -3.101 0.931 1.00 0.00 C ATOM 335 C ASP A 26 0.749 -4.471 0.277 1.00 0.00 C ATOM 336 O ASP A 26 0.975 -5.519 0.892 1.00 0.00 O ATOM 337 CB ASP A 26 2.303 -3.032 1.720 1.00 0.00 C ATOM 338 CG ASP A 26 2.404 -2.883 3.237 1.00 0.00 C ATOM 339 OD1 ASP A 26 1.439 -3.120 3.985 1.00 0.00 O ATOM 340 OD2 ASP A 26 3.520 -2.532 3.684 1.00 0.00 O ATOM 0 H ASP A 26 -0.059 -2.819 2.711 1.00 0.00 H new ATOM 0 HA ASP A 26 1.102 -2.344 0.157 1.00 0.00 H new ATOM 0 HB2 ASP A 26 2.850 -3.941 1.470 1.00 0.00 H new ATOM 0 HB3 ASP A 26 2.862 -2.197 1.297 1.00 0.00 H new ATOM 345 N ILE A 27 0.323 -4.462 -0.993 1.00 0.00 N ATOM 346 CA ILE A 27 0.139 -5.670 -1.805 1.00 0.00 C ATOM 347 C ILE A 27 1.456 -6.248 -2.319 1.00 0.00 C ATOM 348 O ILE A 27 1.444 -7.304 -2.951 1.00 0.00 O ATOM 349 CB ILE A 27 -0.858 -5.457 -2.965 1.00 0.00 C ATOM 350 CG1 ILE A 27 -0.362 -4.467 -4.044 1.00 0.00 C ATOM 351 CG2 ILE A 27 -2.244 -5.116 -2.387 1.00 0.00 C ATOM 352 CD1 ILE A 27 -1.169 -4.571 -5.348 1.00 0.00 C ATOM 0 H ILE A 27 0.093 -3.602 -1.492 1.00 0.00 H new ATOM 0 HA ILE A 27 -0.294 -6.407 -1.129 1.00 0.00 H new ATOM 0 HB ILE A 27 -0.944 -6.392 -3.519 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -0.429 -3.450 -3.658 1.00 0.00 H new ATOM 0 HG13 ILE A 27 0.690 -4.660 -4.254 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -2.951 -4.965 -3.203 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -2.587 -5.936 -1.757 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -2.176 -4.205 -1.792 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -0.782 -3.856 -6.074 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -1.081 -5.580 -5.751 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -2.217 -4.351 -5.146 1.00 0.00 H new ATOM 364 N ARG A 28 2.583 -5.575 -2.070 1.00 0.00 N ATOM 365 CA ARG A 28 3.897 -6.055 -2.485 1.00 0.00 C ATOM 366 C ARG A 28 4.151 -7.411 -1.843 1.00 0.00 C ATOM 367 O ARG A 28 3.679 -7.677 -0.734 1.00 0.00 O ATOM 368 CB ARG A 28 5.001 -5.050 -2.112 1.00 0.00 C ATOM 369 CG ARG A 28 4.647 -3.655 -2.638 1.00 0.00 C ATOM 370 CD ARG A 28 5.806 -2.651 -2.671 1.00 0.00 C ATOM 371 NE ARG A 28 6.431 -2.472 -1.364 1.00 0.00 N ATOM 372 CZ ARG A 28 5.866 -2.070 -0.230 1.00 0.00 C ATOM 373 NH1 ARG A 28 4.642 -1.551 -0.230 1.00 0.00 N ATOM 374 NH2 ARG A 28 6.529 -2.220 0.905 1.00 0.00 N ATOM 0 H ARG A 28 2.606 -4.683 -1.575 1.00 0.00 H new ATOM 0 HA ARG A 28 3.915 -6.159 -3.570 1.00 0.00 H new ATOM 0 HB2 ARG A 28 5.123 -5.018 -1.029 1.00 0.00 H new ATOM 0 HB3 ARG A 28 5.954 -5.373 -2.531 1.00 0.00 H new ATOM 0 HG2 ARG A 28 4.247 -3.756 -3.647 1.00 0.00 H new ATOM 0 HG3 ARG A 28 3.850 -3.243 -2.019 1.00 0.00 H new ATOM 0 HD2 ARG A 28 6.556 -2.991 -3.385 1.00 0.00 H new ATOM 0 HD3 ARG A 28 5.439 -1.689 -3.029 1.00 0.00 H new ATOM 0 HE ARG A 28 7.428 -2.682 -1.315 1.00 0.00 H new ATOM 0 HH11 ARG A 28 4.127 -1.458 -1.106 1.00 0.00 H new ATOM 0 HH12 ARG A 28 4.218 -1.246 0.646 1.00 0.00 H new ATOM 0 HH21 ARG A 28 7.459 -2.639 0.901 1.00 0.00 H new ATOM 0 HH22 ARG A 28 6.110 -1.917 1.784 1.00 0.00 H new ATOM 388 N ALA A 29 4.912 -8.259 -2.526 1.00 0.00 N ATOM 389 CA ALA A 29 5.167 -9.612 -2.071 1.00 0.00 C ATOM 390 C ALA A 29 5.819 -9.625 -0.692 1.00 0.00 C ATOM 391 O ALA A 29 6.570 -8.713 -0.354 1.00 0.00 O ATOM 392 CB ALA A 29 6.051 -10.306 -3.094 1.00 0.00 C ATOM 0 H ALA A 29 5.367 -8.024 -3.408 1.00 0.00 H new ATOM 0 HA ALA A 29 4.220 -10.144 -1.977 1.00 0.00 H new ATOM 0 HB1 ALA A 29 6.253 -11.326 -2.768 1.00 0.00 H new ATOM 0 HB2 ALA A 29 5.544 -10.327 -4.058 1.00 0.00 H new ATOM 0 HB3 ALA A 29 6.991 -9.763 -3.191 1.00 0.00 H new ATOM 398 N THR A 30 5.637 -10.707 0.068 1.00 0.00 N ATOM 399 CA THR A 30 6.206 -10.811 1.407 1.00 0.00 C ATOM 400 C THR A 30 7.744 -10.771 1.381 1.00 0.00 C ATOM 401 O THR A 30 8.386 -10.333 2.343 1.00 0.00 O ATOM 402 CB THR A 30 5.654 -12.054 2.116 1.00 0.00 C ATOM 403 OG1 THR A 30 4.242 -12.076 1.984 1.00 0.00 O ATOM 404 CG2 THR A 30 6.031 -12.045 3.601 1.00 0.00 C ATOM 0 H THR A 30 5.099 -11.523 -0.224 1.00 0.00 H new ATOM 0 HA THR A 30 5.901 -9.939 1.985 1.00 0.00 H new ATOM 0 HB THR A 30 6.086 -12.943 1.657 1.00 0.00 H new ATOM 0 HG1 THR A 30 3.884 -12.869 2.434 1.00 0.00 H new ATOM 0 HG21 THR A 30 5.629 -12.936 4.084 1.00 0.00 H new ATOM 0 HG22 THR A 30 7.116 -12.037 3.701 1.00 0.00 H new ATOM 0 HG23 THR A 30 5.616 -11.156 4.076 1.00 0.00 H new ATOM 412 N ALA A 31 8.341 -11.187 0.263 1.00 0.00 N ATOM 413 CA ALA A 31 9.760 -11.059 -0.004 1.00 0.00 C ATOM 414 C ALA A 31 10.211 -9.605 -0.104 1.00 0.00 C ATOM 415 O ALA A 31 11.361 -9.303 0.204 1.00 0.00 O ATOM 416 CB ALA A 31 10.056 -11.745 -1.325 1.00 0.00 C ATOM 0 H ALA A 31 7.830 -11.634 -0.498 1.00 0.00 H new ATOM 0 HA ALA A 31 10.299 -11.515 0.826 1.00 0.00 H new ATOM 0 HB1 ALA A 31 11.120 -11.662 -1.548 1.00 0.00 H new ATOM 0 HB2 ALA A 31 9.780 -12.797 -1.258 1.00 0.00 H new ATOM 0 HB3 ALA A 31 9.481 -11.269 -2.119 1.00 0.00 H new ATOM 422 N ASP A 32 9.341 -8.699 -0.539 1.00 0.00 N ATOM 423 CA ASP A 32 9.727 -7.320 -0.794 1.00 0.00 C ATOM 424 C ASP A 32 9.970 -6.593 0.525 1.00 0.00 C ATOM 425 O ASP A 32 10.888 -5.786 0.615 1.00 0.00 O ATOM 426 CB ASP A 32 8.741 -6.642 -1.748 1.00 0.00 C ATOM 427 CG ASP A 32 9.471 -5.660 -2.664 1.00 0.00 C ATOM 428 OD1 ASP A 32 10.176 -6.095 -3.607 1.00 0.00 O ATOM 429 OD2 ASP A 32 9.288 -4.445 -2.457 1.00 0.00 O ATOM 0 H ASP A 32 8.358 -8.899 -0.723 1.00 0.00 H new ATOM 0 HA ASP A 32 10.679 -7.284 -1.323 1.00 0.00 H new ATOM 0 HB2 ASP A 32 8.229 -7.395 -2.347 1.00 0.00 H new ATOM 0 HB3 ASP A 32 7.977 -6.116 -1.176 1.00 0.00 H new ATOM 434 N PHE A 33 9.313 -7.001 1.616 1.00 0.00 N ATOM 435 CA PHE A 33 9.669 -6.557 2.968 1.00 0.00 C ATOM 436 C PHE A 33 10.990 -7.150 3.476 1.00 0.00 C ATOM 437 O PHE A 33 11.459 -6.759 4.551 1.00 0.00 O ATOM 438 CB PHE A 33 8.543 -6.864 3.961 1.00 0.00 C ATOM 439 CG PHE A 33 7.154 -6.602 3.429 1.00 0.00 C ATOM 440 CD1 PHE A 33 6.725 -5.293 3.156 1.00 0.00 C ATOM 441 CD2 PHE A 33 6.308 -7.686 3.156 1.00 0.00 C ATOM 442 CE1 PHE A 33 5.448 -5.066 2.621 1.00 0.00 C ATOM 443 CE2 PHE A 33 5.036 -7.462 2.608 1.00 0.00 C ATOM 444 CZ PHE A 33 4.608 -6.152 2.336 1.00 0.00 C ATOM 0 H PHE A 33 8.523 -7.645 1.587 1.00 0.00 H new ATOM 0 HA PHE A 33 9.810 -5.478 2.898 1.00 0.00 H new ATOM 0 HB2 PHE A 33 8.613 -7.910 4.259 1.00 0.00 H new ATOM 0 HB3 PHE A 33 8.694 -6.265 4.859 1.00 0.00 H new ATOM 0 HD1 PHE A 33 7.380 -4.459 3.358 1.00 0.00 H new ATOM 0 HD2 PHE A 33 6.635 -8.693 3.367 1.00 0.00 H new ATOM 0 HE1 PHE A 33 5.113 -4.057 2.429 1.00 0.00 H new ATOM 0 HE2 PHE A 33 4.385 -8.297 2.395 1.00 0.00 H new ATOM 0 HZ PHE A 33 3.632 -5.981 1.907 1.00 0.00 H new ATOM 454 N ARG A 34 11.588 -8.110 2.758 1.00 0.00 N ATOM 455 CA ARG A 34 12.935 -8.612 3.022 1.00 0.00 C ATOM 456 C ARG A 34 13.967 -7.875 2.181 1.00 0.00 C ATOM 457 O ARG A 34 15.087 -7.705 2.657 1.00 0.00 O ATOM 458 CB ARG A 34 13.071 -10.114 2.705 1.00 0.00 C ATOM 459 CG ARG A 34 11.946 -11.004 3.248 1.00 0.00 C ATOM 460 CD ARG A 34 12.210 -12.486 2.977 1.00 0.00 C ATOM 461 NE ARG A 34 13.475 -12.947 3.583 1.00 0.00 N ATOM 462 CZ ARG A 34 13.662 -13.574 4.748 1.00 0.00 C ATOM 463 NH1 ARG A 34 12.638 -13.891 5.532 1.00 0.00 N ATOM 464 NH2 ARG A 34 14.901 -13.859 5.127 1.00 0.00 N ATOM 0 H ARG A 34 11.138 -8.565 1.964 1.00 0.00 H new ATOM 0 HA ARG A 34 13.111 -8.446 4.085 1.00 0.00 H new ATOM 0 HB2 ARG A 34 13.119 -10.237 1.623 1.00 0.00 H new ATOM 0 HB3 ARG A 34 14.019 -10.469 3.108 1.00 0.00 H new ATOM 0 HG2 ARG A 34 11.843 -10.844 4.321 1.00 0.00 H new ATOM 0 HG3 ARG A 34 11.000 -10.714 2.790 1.00 0.00 H new ATOM 0 HD2 ARG A 34 11.384 -13.078 3.370 1.00 0.00 H new ATOM 0 HD3 ARG A 34 12.241 -12.657 1.901 1.00 0.00 H new ATOM 0 HE ARG A 34 14.318 -12.762 3.040 1.00 0.00 H new ATOM 0 HH11 ARG A 34 11.687 -13.656 5.249 1.00 0.00 H new ATOM 0 HH12 ARG A 34 12.803 -14.370 6.418 1.00 0.00 H new ATOM 0 HH21 ARG A 34 15.688 -13.600 4.533 1.00 0.00 H new ATOM 0 HH22 ARG A 34 15.066 -14.337 6.013 1.00 0.00 H new ATOM 478 N GLN A 35 13.608 -7.494 0.952 1.00 0.00 N ATOM 479 CA GLN A 35 14.563 -7.147 -0.097 1.00 0.00 C ATOM 480 C GLN A 35 14.532 -5.660 -0.463 1.00 0.00 C ATOM 481 O GLN A 35 15.470 -5.176 -1.089 1.00 0.00 O ATOM 482 CB GLN A 35 14.320 -8.085 -1.293 1.00 0.00 C ATOM 483 CG GLN A 35 13.293 -7.613 -2.333 1.00 0.00 C ATOM 484 CD GLN A 35 12.628 -8.770 -3.088 1.00 0.00 C ATOM 485 OE1 GLN A 35 11.426 -9.018 -2.995 1.00 0.00 O ATOM 486 NE2 GLN A 35 13.404 -9.505 -3.861 1.00 0.00 N ATOM 0 H GLN A 35 12.635 -7.418 0.657 1.00 0.00 H new ATOM 0 HA GLN A 35 15.579 -7.298 0.267 1.00 0.00 H new ATOM 0 HB2 GLN A 35 15.271 -8.245 -1.800 1.00 0.00 H new ATOM 0 HB3 GLN A 35 13.997 -9.052 -0.908 1.00 0.00 H new ATOM 0 HG2 GLN A 35 12.524 -7.023 -1.834 1.00 0.00 H new ATOM 0 HG3 GLN A 35 13.786 -6.955 -3.049 1.00 0.00 H new ATOM 0 HE21 GLN A 35 14.399 -9.294 -3.933 1.00 0.00 H new ATOM 0 HE22 GLN A 35 13.009 -10.285 -4.387 1.00 0.00 H new ATOM 495 N VAL A 36 13.487 -4.958 -0.022 1.00 0.00 N ATOM 496 CA VAL A 36 13.275 -3.517 -0.167 1.00 0.00 C ATOM 497 C VAL A 36 12.863 -2.895 1.184 1.00 0.00 C ATOM 498 O VAL A 36 13.405 -1.871 1.600 1.00 0.00 O ATOM 499 CB VAL A 36 12.249 -3.230 -1.286 1.00 0.00 C ATOM 500 CG1 VAL A 36 12.042 -1.727 -1.518 1.00 0.00 C ATOM 501 CG2 VAL A 36 12.630 -3.852 -2.638 1.00 0.00 C ATOM 0 H VAL A 36 12.719 -5.408 0.476 1.00 0.00 H new ATOM 0 HA VAL A 36 14.212 -3.046 -0.465 1.00 0.00 H new ATOM 0 HB VAL A 36 11.330 -3.690 -0.923 1.00 0.00 H new ATOM 0 HG11 VAL A 36 11.312 -1.579 -2.314 1.00 0.00 H new ATOM 0 HG12 VAL A 36 11.678 -1.264 -0.601 1.00 0.00 H new ATOM 0 HG13 VAL A 36 12.989 -1.269 -1.804 1.00 0.00 H new ATOM 0 HG21 VAL A 36 11.866 -3.611 -3.377 1.00 0.00 H new ATOM 0 HG22 VAL A 36 13.590 -3.453 -2.965 1.00 0.00 H new ATOM 0 HG23 VAL A 36 12.704 -4.934 -2.533 1.00 0.00 H new ATOM 511 N GLY A 37 11.937 -3.509 1.932 1.00 0.00 N ATOM 512 CA GLY A 37 11.448 -2.995 3.213 1.00 0.00 C ATOM 513 C GLY A 37 9.947 -2.731 3.188 1.00 0.00 C ATOM 514 O GLY A 37 9.255 -3.264 2.325 1.00 0.00 O ATOM 0 H GLY A 37 11.502 -4.390 1.658 1.00 0.00 H new ATOM 0 HA2 GLY A 37 11.677 -3.711 4.002 1.00 0.00 H new ATOM 0 HA3 GLY A 37 11.974 -2.072 3.458 1.00 0.00 H new ATOM 518 N SER A 38 9.449 -1.894 4.101 1.00 0.00 N ATOM 519 CA SER A 38 8.051 -1.465 4.123 1.00 0.00 C ATOM 520 C SER A 38 7.958 0.056 4.318 1.00 0.00 C ATOM 521 O SER A 38 8.899 0.641 4.850 1.00 0.00 O ATOM 522 CB SER A 38 7.264 -2.221 5.215 1.00 0.00 C ATOM 523 OG SER A 38 7.859 -3.448 5.606 1.00 0.00 O ATOM 0 H SER A 38 10.011 -1.492 4.852 1.00 0.00 H new ATOM 0 HA SER A 38 7.598 -1.708 3.162 1.00 0.00 H new ATOM 0 HB2 SER A 38 7.169 -1.579 6.091 1.00 0.00 H new ATOM 0 HB3 SER A 38 6.255 -2.417 4.852 1.00 0.00 H new ATOM 0 HG SER A 38 7.506 -4.174 5.051 1.00 0.00 H new ATOM 529 N PRO A 39 6.839 0.707 3.960 1.00 0.00 N ATOM 530 CA PRO A 39 6.647 2.143 4.137 1.00 0.00 C ATOM 531 C PRO A 39 6.416 2.505 5.609 1.00 0.00 C ATOM 532 O PRO A 39 5.562 1.915 6.279 1.00 0.00 O ATOM 533 CB PRO A 39 5.435 2.469 3.265 1.00 0.00 C ATOM 534 CG PRO A 39 4.602 1.189 3.319 1.00 0.00 C ATOM 535 CD PRO A 39 5.677 0.114 3.316 1.00 0.00 C ATOM 0 HA PRO A 39 7.525 2.721 3.847 1.00 0.00 H new ATOM 0 HB2 PRO A 39 4.881 3.325 3.651 1.00 0.00 H new ATOM 0 HB3 PRO A 39 5.729 2.714 2.244 1.00 0.00 H new ATOM 0 HG2 PRO A 39 3.981 1.143 4.214 1.00 0.00 H new ATOM 0 HG3 PRO A 39 3.934 1.100 2.463 1.00 0.00 H new ATOM 0 HD2 PRO A 39 5.343 -0.773 3.854 1.00 0.00 H new ATOM 0 HD3 PRO A 39 5.912 -0.200 2.299 1.00 0.00 H new ATOM 543 N ASN A 40 7.165 3.479 6.140 1.00 0.00 N ATOM 544 CA ASN A 40 7.030 3.865 7.546 1.00 0.00 C ATOM 545 C ASN A 40 5.976 4.955 7.689 1.00 0.00 C ATOM 546 O ASN A 40 6.298 6.130 7.844 1.00 0.00 O ATOM 547 CB ASN A 40 8.359 4.294 8.183 1.00 0.00 C ATOM 548 CG ASN A 40 8.218 4.481 9.691 1.00 0.00 C ATOM 549 OD1 ASN A 40 7.118 4.507 10.234 1.00 0.00 O ATOM 550 ND2 ASN A 40 9.325 4.540 10.410 1.00 0.00 N ATOM 0 H ASN A 40 7.865 4.009 5.621 1.00 0.00 H new ATOM 0 HA ASN A 40 6.708 2.979 8.093 1.00 0.00 H new ATOM 0 HB2 ASN A 40 9.122 3.543 7.978 1.00 0.00 H new ATOM 0 HB3 ASN A 40 8.698 5.225 7.729 1.00 0.00 H new ATOM 0 HD21 ASN A 40 9.270 4.608 11.426 1.00 0.00 H new ATOM 0 HD22 ASN A 40 10.234 4.518 9.949 1.00 0.00 H new ATOM 557 N ILE A 41 4.704 4.574 7.668 1.00 0.00 N ATOM 558 CA ILE A 41 3.598 5.495 7.930 1.00 0.00 C ATOM 559 C ILE A 41 3.286 5.646 9.432 1.00 0.00 C ATOM 560 O ILE A 41 2.254 6.220 9.781 1.00 0.00 O ATOM 561 CB ILE A 41 2.363 5.086 7.104 1.00 0.00 C ATOM 562 CG1 ILE A 41 1.904 3.624 7.302 1.00 0.00 C ATOM 563 CG2 ILE A 41 2.651 5.308 5.613 1.00 0.00 C ATOM 564 CD1 ILE A 41 0.373 3.528 7.338 1.00 0.00 C ATOM 0 H ILE A 41 4.408 3.619 7.469 1.00 0.00 H new ATOM 0 HA ILE A 41 3.907 6.489 7.607 1.00 0.00 H new ATOM 0 HB ILE A 41 1.550 5.716 7.465 1.00 0.00 H new ATOM 0 HG12 ILE A 41 2.292 3.005 6.493 1.00 0.00 H new ATOM 0 HG13 ILE A 41 2.318 3.232 8.231 1.00 0.00 H new ATOM 0 HG21 ILE A 41 1.778 5.019 5.027 1.00 0.00 H new ATOM 0 HG22 ILE A 41 2.873 6.361 5.438 1.00 0.00 H new ATOM 0 HG23 ILE A 41 3.506 4.702 5.313 1.00 0.00 H new ATOM 0 HD11 ILE A 41 0.077 2.488 7.478 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -0.010 4.129 8.163 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -0.037 3.898 6.398 1.00 0.00 H new ATOM 576 N LYS A 42 4.124 5.109 10.330 1.00 0.00 N ATOM 577 CA LYS A 42 3.785 5.019 11.750 1.00 0.00 C ATOM 578 C LYS A 42 3.532 6.400 12.352 1.00 0.00 C ATOM 579 O LYS A 42 2.651 6.515 13.194 1.00 0.00 O ATOM 580 CB LYS A 42 4.863 4.236 12.517 1.00 0.00 C ATOM 581 CG LYS A 42 4.347 3.357 13.671 1.00 0.00 C ATOM 582 CD LYS A 42 3.526 4.037 14.775 1.00 0.00 C ATOM 583 CE LYS A 42 4.296 5.166 15.479 1.00 0.00 C ATOM 584 NZ LYS A 42 3.399 6.212 16.007 1.00 0.00 N ATOM 0 H LYS A 42 5.042 4.731 10.094 1.00 0.00 H new ATOM 0 HA LYS A 42 2.852 4.464 11.845 1.00 0.00 H new ATOM 0 HB2 LYS A 42 5.398 3.601 11.811 1.00 0.00 H new ATOM 0 HB3 LYS A 42 5.586 4.946 12.919 1.00 0.00 H new ATOM 0 HG2 LYS A 42 3.737 2.563 13.241 1.00 0.00 H new ATOM 0 HG3 LYS A 42 5.208 2.879 14.139 1.00 0.00 H new ATOM 0 HD2 LYS A 42 2.610 4.442 14.344 1.00 0.00 H new ATOM 0 HD3 LYS A 42 3.229 3.291 15.512 1.00 0.00 H new ATOM 0 HE2 LYS A 42 4.883 4.747 16.297 1.00 0.00 H new ATOM 0 HE3 LYS A 42 5.000 5.614 14.778 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 3.961 6.934 16.502 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 2.882 6.655 15.221 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 2.721 5.786 16.671 1.00 0.00 H new ATOM 598 N GLY A 43 4.241 7.444 11.927 1.00 0.00 N ATOM 599 CA GLY A 43 4.024 8.791 12.437 1.00 0.00 C ATOM 600 C GLY A 43 2.643 9.352 12.102 1.00 0.00 C ATOM 601 O GLY A 43 2.174 10.239 12.811 1.00 0.00 O ATOM 0 H GLY A 43 4.977 7.378 11.224 1.00 0.00 H new ATOM 0 HA2 GLY A 43 4.153 8.787 13.519 1.00 0.00 H new ATOM 0 HA3 GLY A 43 4.786 9.454 12.027 1.00 0.00 H new ATOM 605 N LEU A 44 1.965 8.848 11.065 1.00 0.00 N ATOM 606 CA LEU A 44 0.578 9.229 10.799 1.00 0.00 C ATOM 607 C LEU A 44 -0.356 8.566 11.817 1.00 0.00 C ATOM 608 O LEU A 44 -1.409 9.114 12.151 1.00 0.00 O ATOM 609 CB LEU A 44 0.222 8.971 9.320 1.00 0.00 C ATOM 610 CG LEU A 44 -0.645 7.751 8.979 1.00 0.00 C ATOM 611 CD1 LEU A 44 -2.138 7.925 9.295 1.00 0.00 C ATOM 612 CD2 LEU A 44 -0.566 7.535 7.472 1.00 0.00 C ATOM 0 H LEU A 44 2.354 8.179 10.401 1.00 0.00 H new ATOM 0 HA LEU A 44 0.443 10.302 10.939 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -0.289 9.857 8.942 1.00 0.00 H new ATOM 0 HB3 LEU A 44 1.156 8.880 8.765 1.00 0.00 H new ATOM 0 HG LEU A 44 -0.263 6.927 9.582 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -2.676 7.017 9.023 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -2.264 8.117 10.361 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -2.535 8.766 8.726 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -1.173 6.673 7.196 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -0.938 8.421 6.957 1.00 0.00 H new ATOM 0 HD23 LEU A 44 0.470 7.357 7.184 1.00 0.00 H new ATOM 624 N GLY A 45 0.014 7.385 12.317 1.00 0.00 N ATOM 625 CA GLY A 45 -0.698 6.717 13.393 1.00 0.00 C ATOM 626 C GLY A 45 -0.407 5.230 13.508 1.00 0.00 C ATOM 627 O GLY A 45 -0.638 4.637 14.561 1.00 0.00 O ATOM 0 H GLY A 45 0.824 6.866 11.979 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -0.442 7.199 14.336 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -1.769 6.855 13.245 1.00 0.00 H new ATOM 631 N LYS A 46 0.000 4.573 12.419 1.00 0.00 N ATOM 632 CA LYS A 46 -0.003 3.106 12.383 1.00 0.00 C ATOM 633 C LYS A 46 0.856 2.579 11.257 1.00 0.00 C ATOM 634 O LYS A 46 1.311 3.344 10.415 1.00 0.00 O ATOM 635 CB LYS A 46 -1.436 2.529 12.294 1.00 0.00 C ATOM 636 CG LYS A 46 -2.561 3.401 11.721 1.00 0.00 C ATOM 637 CD LYS A 46 -2.389 3.772 10.244 1.00 0.00 C ATOM 638 CE LYS A 46 -3.403 4.828 9.777 1.00 0.00 C ATOM 639 NZ LYS A 46 -4.807 4.546 10.136 1.00 0.00 N ATOM 0 H LYS A 46 0.330 5.022 11.565 1.00 0.00 H new ATOM 0 HA LYS A 46 0.428 2.769 13.326 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -1.387 1.621 11.693 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -1.732 2.231 13.300 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -3.508 2.876 11.842 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -2.627 4.318 12.307 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -1.379 4.148 10.083 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -2.497 2.876 9.633 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -3.122 5.792 10.201 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -3.333 4.923 8.693 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -5.436 4.911 9.392 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -4.942 3.519 10.230 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -5.034 5.009 11.039 1.00 0.00 H new ATOM 653 N LYS A 47 1.119 1.275 11.262 1.00 0.00 N ATOM 654 CA LYS A 47 1.831 0.594 10.188 1.00 0.00 C ATOM 655 C LYS A 47 0.845 0.209 9.089 1.00 0.00 C ATOM 656 O LYS A 47 -0.373 0.294 9.272 1.00 0.00 O ATOM 657 CB LYS A 47 2.593 -0.624 10.750 1.00 0.00 C ATOM 658 CG LYS A 47 4.086 -0.606 10.385 1.00 0.00 C ATOM 659 CD LYS A 47 4.895 0.542 11.021 1.00 0.00 C ATOM 660 CE LYS A 47 5.595 0.202 12.345 1.00 0.00 C ATOM 661 NZ LYS A 47 4.688 -0.133 13.463 1.00 0.00 N ATOM 0 H LYS A 47 0.840 0.655 12.022 1.00 0.00 H new ATOM 0 HA LYS A 47 2.573 1.259 9.747 1.00 0.00 H new ATOM 0 HB2 LYS A 47 2.488 -0.645 11.835 1.00 0.00 H new ATOM 0 HB3 LYS A 47 2.140 -1.539 10.368 1.00 0.00 H new ATOM 0 HG2 LYS A 47 4.530 -1.555 10.686 1.00 0.00 H new ATOM 0 HG3 LYS A 47 4.180 -0.540 9.301 1.00 0.00 H new ATOM 0 HD2 LYS A 47 5.649 0.872 10.306 1.00 0.00 H new ATOM 0 HD3 LYS A 47 4.225 1.385 11.190 1.00 0.00 H new ATOM 0 HE2 LYS A 47 6.267 -0.640 12.178 1.00 0.00 H new ATOM 0 HE3 LYS A 47 6.213 1.050 12.640 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 5.144 0.112 14.365 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 3.803 0.404 13.365 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 4.478 -1.152 13.447 1.00 0.00 H new ATOM 675 N ALA A 48 1.380 -0.182 7.937 1.00 0.00 N ATOM 676 CA ALA A 48 0.601 -0.651 6.805 1.00 0.00 C ATOM 677 C ALA A 48 0.194 -2.118 7.013 1.00 0.00 C ATOM 678 O ALA A 48 0.820 -2.835 7.799 1.00 0.00 O ATOM 679 CB ALA A 48 1.464 -0.469 5.558 1.00 0.00 C ATOM 0 H ALA A 48 2.385 -0.180 7.765 1.00 0.00 H new ATOM 0 HA ALA A 48 -0.324 -0.084 6.696 1.00 0.00 H new ATOM 0 HB1 ALA A 48 0.914 -0.811 4.681 1.00 0.00 H new ATOM 0 HB2 ALA A 48 1.716 0.585 5.440 1.00 0.00 H new ATOM 0 HB3 ALA A 48 2.380 -1.051 5.661 1.00 0.00 H new ATOM 685 N VAL A 49 -0.861 -2.574 6.339 1.00 0.00 N ATOM 686 CA VAL A 49 -1.312 -3.961 6.362 1.00 0.00 C ATOM 687 C VAL A 49 -0.700 -4.669 5.153 1.00 0.00 C ATOM 688 O VAL A 49 -1.155 -4.510 4.022 1.00 0.00 O ATOM 689 CB VAL A 49 -2.854 -4.033 6.370 1.00 0.00 C ATOM 690 CG1 VAL A 49 -3.308 -5.499 6.261 1.00 0.00 C ATOM 691 CG2 VAL A 49 -3.520 -3.395 7.605 1.00 0.00 C ATOM 0 H VAL A 49 -1.438 -1.974 5.749 1.00 0.00 H new ATOM 0 HA VAL A 49 -0.983 -4.462 7.272 1.00 0.00 H new ATOM 0 HB VAL A 49 -3.177 -3.448 5.509 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -4.397 -5.544 6.267 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -2.932 -5.928 5.332 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -2.917 -6.065 7.106 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -4.603 -3.492 7.525 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -3.176 -3.902 8.507 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -3.253 -2.339 7.658 1.00 0.00 H new ATOM 701 N SER A 50 0.329 -5.473 5.397 1.00 0.00 N ATOM 702 CA SER A 50 0.973 -6.251 4.354 1.00 0.00 C ATOM 703 C SER A 50 0.073 -7.458 4.054 1.00 0.00 C ATOM 704 O SER A 50 -0.186 -8.289 4.937 1.00 0.00 O ATOM 705 CB SER A 50 2.385 -6.626 4.816 1.00 0.00 C ATOM 706 OG SER A 50 2.474 -7.034 6.175 1.00 0.00 O ATOM 0 H SER A 50 0.737 -5.601 6.323 1.00 0.00 H new ATOM 0 HA SER A 50 1.095 -5.693 3.425 1.00 0.00 H new ATOM 0 HB2 SER A 50 2.758 -7.431 4.183 1.00 0.00 H new ATOM 0 HB3 SER A 50 3.042 -5.770 4.663 1.00 0.00 H new ATOM 0 HG SER A 50 3.404 -7.257 6.389 1.00 0.00 H new ATOM 712 N THR A 51 -0.464 -7.566 2.843 1.00 0.00 N ATOM 713 CA THR A 51 -1.152 -8.753 2.343 1.00 0.00 C ATOM 714 C THR A 51 -0.911 -8.795 0.835 1.00 0.00 C ATOM 715 O THR A 51 -1.402 -7.912 0.138 1.00 0.00 O ATOM 716 CB THR A 51 -2.653 -8.665 2.677 1.00 0.00 C ATOM 717 OG1 THR A 51 -2.838 -8.622 4.082 1.00 0.00 O ATOM 718 CG2 THR A 51 -3.447 -9.851 2.127 1.00 0.00 C ATOM 0 H THR A 51 -0.432 -6.808 2.161 1.00 0.00 H new ATOM 0 HA THR A 51 -0.778 -9.666 2.806 1.00 0.00 H new ATOM 0 HB THR A 51 -3.022 -7.754 2.206 1.00 0.00 H new ATOM 0 HG1 THR A 51 -1.966 -8.652 4.528 1.00 0.00 H new ATOM 0 HG21 THR A 51 -4.499 -9.739 2.391 1.00 0.00 H new ATOM 0 HG22 THR A 51 -3.347 -9.884 1.042 1.00 0.00 H new ATOM 0 HG23 THR A 51 -3.062 -10.776 2.555 1.00 0.00 H new ATOM 726 N VAL A 52 -0.141 -9.766 0.333 1.00 0.00 N ATOM 727 CA VAL A 52 0.193 -9.836 -1.088 1.00 0.00 C ATOM 728 C VAL A 52 -1.103 -10.034 -1.872 1.00 0.00 C ATOM 729 O VAL A 52 -1.859 -10.960 -1.562 1.00 0.00 O ATOM 730 CB VAL A 52 1.207 -10.961 -1.399 1.00 0.00 C ATOM 731 CG1 VAL A 52 1.813 -10.796 -2.797 1.00 0.00 C ATOM 732 CG2 VAL A 52 2.325 -11.083 -0.358 1.00 0.00 C ATOM 0 H VAL A 52 0.263 -10.516 0.895 1.00 0.00 H new ATOM 0 HA VAL A 52 0.677 -8.906 -1.385 1.00 0.00 H new ATOM 0 HB VAL A 52 0.632 -11.886 -1.360 1.00 0.00 H new ATOM 0 HG11 VAL A 52 2.522 -11.603 -2.984 1.00 0.00 H new ATOM 0 HG12 VAL A 52 1.020 -10.829 -3.544 1.00 0.00 H new ATOM 0 HG13 VAL A 52 2.329 -9.838 -2.859 1.00 0.00 H new ATOM 0 HG21 VAL A 52 2.999 -11.892 -0.641 1.00 0.00 H new ATOM 0 HG22 VAL A 52 2.882 -10.147 -0.311 1.00 0.00 H new ATOM 0 HG23 VAL A 52 1.891 -11.297 0.619 1.00 0.00 H new ATOM 742 N TYR A 53 -1.385 -9.169 -2.852 1.00 0.00 N ATOM 743 CA TYR A 53 -2.494 -9.422 -3.760 1.00 0.00 C ATOM 744 C TYR A 53 -2.116 -10.573 -4.679 1.00 0.00 C ATOM 745 O TYR A 53 -0.955 -10.725 -5.062 1.00 0.00 O ATOM 746 CB TYR A 53 -2.880 -8.179 -4.572 1.00 0.00 C ATOM 747 CG TYR A 53 -4.041 -8.400 -5.533 1.00 0.00 C ATOM 748 CD1 TYR A 53 -5.243 -8.974 -5.077 1.00 0.00 C ATOM 749 CD2 TYR A 53 -3.921 -8.048 -6.892 1.00 0.00 C ATOM 750 CE1 TYR A 53 -6.311 -9.179 -5.965 1.00 0.00 C ATOM 751 CE2 TYR A 53 -4.989 -8.241 -7.785 1.00 0.00 C ATOM 752 CZ TYR A 53 -6.196 -8.793 -7.318 1.00 0.00 C ATOM 753 OH TYR A 53 -7.266 -8.920 -8.142 1.00 0.00 O ATOM 0 H TYR A 53 -0.870 -8.307 -3.030 1.00 0.00 H new ATOM 0 HA TYR A 53 -3.372 -9.685 -3.170 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -3.140 -7.375 -3.884 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -2.011 -7.845 -5.139 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -5.344 -9.258 -4.040 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -2.995 -7.624 -7.253 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -7.224 -9.634 -5.611 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -4.884 -7.967 -8.824 1.00 0.00 H new ATOM 0 HH TYR A 53 -7.026 -8.610 -9.040 1.00 0.00 H new ATOM 763 N ASN A 54 -3.103 -11.378 -5.052 1.00 0.00 N ATOM 764 CA ASN A 54 -2.963 -12.411 -6.059 1.00 0.00 C ATOM 765 C ASN A 54 -4.278 -12.380 -6.811 1.00 0.00 C ATOM 766 O ASN A 54 -5.290 -12.803 -6.248 1.00 0.00 O ATOM 767 CB ASN A 54 -2.723 -13.805 -5.435 1.00 0.00 C ATOM 768 CG ASN A 54 -1.596 -13.832 -4.416 1.00 0.00 C ATOM 769 OD1 ASN A 54 -0.420 -13.896 -4.775 1.00 0.00 O ATOM 770 ND2 ASN A 54 -1.927 -13.787 -3.137 1.00 0.00 N ATOM 0 H ASN A 54 -4.040 -11.326 -4.652 1.00 0.00 H new ATOM 0 HA ASN A 54 -2.100 -12.231 -6.701 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -3.642 -14.142 -4.956 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -2.499 -14.516 -6.230 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -1.201 -13.805 -2.421 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -2.909 -13.734 -2.866 1.00 0.00 H new ATOM 777 N GLY A 55 -4.298 -11.911 -8.061 1.00 0.00 N ATOM 778 CA GLY A 55 -5.495 -11.956 -8.907 1.00 0.00 C ATOM 779 C GLY A 55 -6.055 -13.373 -9.082 1.00 0.00 C ATOM 780 O GLY A 55 -7.205 -13.529 -9.492 1.00 0.00 O ATOM 0 H GLY A 55 -3.487 -11.490 -8.515 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -6.265 -11.319 -8.471 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -5.256 -11.543 -9.887 1.00 0.00 H new ATOM 784 N GLU A 56 -5.270 -14.387 -8.718 1.00 0.00 N ATOM 785 CA GLU A 56 -5.652 -15.761 -8.451 1.00 0.00 C ATOM 786 C GLU A 56 -7.021 -15.879 -7.771 1.00 0.00 C ATOM 787 O GLU A 56 -7.951 -16.453 -8.335 1.00 0.00 O ATOM 788 CB GLU A 56 -4.571 -16.342 -7.525 1.00 0.00 C ATOM 789 CG GLU A 56 -4.726 -17.834 -7.297 1.00 0.00 C ATOM 790 CD GLU A 56 -4.113 -18.607 -8.454 1.00 0.00 C ATOM 791 OE1 GLU A 56 -4.817 -18.876 -9.450 1.00 0.00 O ATOM 792 OE2 GLU A 56 -2.903 -18.933 -8.390 1.00 0.00 O ATOM 0 H GLU A 56 -4.267 -14.249 -8.594 1.00 0.00 H new ATOM 0 HA GLU A 56 -5.732 -16.300 -9.395 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -3.589 -16.146 -7.954 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -4.608 -15.827 -6.565 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -4.242 -18.119 -6.363 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -5.782 -18.087 -7.200 1.00 0.00 H new ATOM 799 N ASP A 57 -7.108 -15.412 -6.525 1.00 0.00 N ATOM 800 CA ASP A 57 -8.066 -15.891 -5.535 1.00 0.00 C ATOM 801 C ASP A 57 -8.538 -14.699 -4.719 1.00 0.00 C ATOM 802 O ASP A 57 -7.961 -14.353 -3.688 1.00 0.00 O ATOM 803 CB ASP A 57 -7.384 -16.955 -4.668 1.00 0.00 C ATOM 804 CG ASP A 57 -8.308 -17.688 -3.702 1.00 0.00 C ATOM 805 OD1 ASP A 57 -9.420 -17.216 -3.387 1.00 0.00 O ATOM 806 OD2 ASP A 57 -7.892 -18.790 -3.269 1.00 0.00 O ATOM 0 H ASP A 57 -6.500 -14.674 -6.171 1.00 0.00 H new ATOM 0 HA ASP A 57 -8.937 -16.352 -6.002 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -6.912 -17.688 -5.323 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -6.588 -16.480 -4.095 1.00 0.00 H new ATOM 811 N LYS A 58 -9.542 -14.004 -5.260 1.00 0.00 N ATOM 812 CA LYS A 58 -10.160 -12.818 -4.668 1.00 0.00 C ATOM 813 C LYS A 58 -10.573 -13.048 -3.201 1.00 0.00 C ATOM 814 O LYS A 58 -10.105 -12.306 -2.329 1.00 0.00 O ATOM 815 CB LYS A 58 -11.305 -12.296 -5.570 1.00 0.00 C ATOM 816 CG LYS A 58 -10.922 -11.953 -7.028 1.00 0.00 C ATOM 817 CD LYS A 58 -10.524 -10.487 -7.238 1.00 0.00 C ATOM 818 CE LYS A 58 -9.849 -10.265 -8.598 1.00 0.00 C ATOM 819 NZ LYS A 58 -10.724 -10.513 -9.762 1.00 0.00 N ATOM 0 H LYS A 58 -9.961 -14.262 -6.154 1.00 0.00 H new ATOM 0 HA LYS A 58 -9.415 -12.024 -4.623 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -12.095 -13.047 -5.591 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -11.726 -11.403 -5.107 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -10.094 -12.592 -7.335 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -11.764 -12.187 -7.679 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -11.410 -9.857 -7.166 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -9.847 -10.177 -6.442 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -9.484 -9.239 -8.645 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -8.978 -10.917 -8.668 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -10.192 -10.341 -10.639 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -11.053 -11.499 -9.745 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -11.543 -9.874 -9.723 1.00 0.00 H new ATOM 833 N PRO A 59 -11.409 -14.050 -2.878 1.00 0.00 N ATOM 834 CA PRO A 59 -11.826 -14.298 -1.507 1.00 0.00 C ATOM 835 C PRO A 59 -10.660 -14.745 -0.621 1.00 0.00 C ATOM 836 O PRO A 59 -10.538 -14.256 0.508 1.00 0.00 O ATOM 837 CB PRO A 59 -12.933 -15.350 -1.599 1.00 0.00 C ATOM 838 CG PRO A 59 -12.674 -16.070 -2.918 1.00 0.00 C ATOM 839 CD PRO A 59 -12.032 -14.999 -3.786 1.00 0.00 C ATOM 0 HA PRO A 59 -12.191 -13.388 -1.030 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -12.894 -16.041 -0.757 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -13.920 -14.888 -1.587 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -12.014 -16.927 -2.785 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -13.598 -16.444 -3.359 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -11.293 -15.436 -4.458 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -12.778 -14.507 -4.410 1.00 0.00 H new ATOM 847 N GLY A 60 -9.764 -15.591 -1.137 1.00 0.00 N ATOM 848 CA GLY A 60 -8.565 -16.082 -0.466 1.00 0.00 C ATOM 849 C GLY A 60 -7.500 -15.010 -0.270 1.00 0.00 C ATOM 850 O GLY A 60 -6.393 -15.316 0.164 1.00 0.00 O ATOM 0 H GLY A 60 -9.863 -15.968 -2.080 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -8.843 -16.490 0.506 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -8.142 -16.902 -1.047 1.00 0.00 H new ATOM 854 N PHE A 61 -7.820 -13.752 -0.547 1.00 0.00 N ATOM 855 CA PHE A 61 -6.993 -12.591 -0.302 1.00 0.00 C ATOM 856 C PHE A 61 -7.735 -11.675 0.665 1.00 0.00 C ATOM 857 O PHE A 61 -7.229 -11.373 1.749 1.00 0.00 O ATOM 858 CB PHE A 61 -6.679 -11.949 -1.655 1.00 0.00 C ATOM 859 CG PHE A 61 -6.272 -10.502 -1.598 1.00 0.00 C ATOM 860 CD1 PHE A 61 -5.005 -10.131 -1.116 1.00 0.00 C ATOM 861 CD2 PHE A 61 -7.172 -9.524 -2.048 1.00 0.00 C ATOM 862 CE1 PHE A 61 -4.632 -8.775 -1.099 1.00 0.00 C ATOM 863 CE2 PHE A 61 -6.790 -8.179 -2.033 1.00 0.00 C ATOM 864 CZ PHE A 61 -5.523 -7.800 -1.571 1.00 0.00 C ATOM 0 H PHE A 61 -8.714 -13.508 -0.972 1.00 0.00 H new ATOM 0 HA PHE A 61 -6.039 -12.834 0.167 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -5.879 -12.516 -2.132 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -7.558 -12.038 -2.294 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -4.319 -10.885 -0.759 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -8.152 -9.808 -2.403 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -3.662 -8.485 -0.723 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -7.479 -7.424 -2.381 1.00 0.00 H new ATOM 0 HZ PHE A 61 -5.233 -6.760 -1.578 1.00 0.00 H new ATOM 874 N LEU A 62 -8.982 -11.322 0.340 1.00 0.00 N ATOM 875 CA LEU A 62 -9.841 -10.486 1.177 1.00 0.00 C ATOM 876 C LEU A 62 -10.063 -11.064 2.583 1.00 0.00 C ATOM 877 O LEU A 62 -10.381 -10.307 3.499 1.00 0.00 O ATOM 878 CB LEU A 62 -11.176 -10.242 0.455 1.00 0.00 C ATOM 879 CG LEU A 62 -11.063 -9.150 -0.630 1.00 0.00 C ATOM 880 CD1 LEU A 62 -12.133 -9.343 -1.705 1.00 0.00 C ATOM 881 CD2 LEU A 62 -11.204 -7.748 -0.028 1.00 0.00 C ATOM 0 H LEU A 62 -9.429 -11.616 -0.529 1.00 0.00 H new ATOM 0 HA LEU A 62 -9.329 -9.536 1.330 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -11.515 -11.172 -0.002 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -11.933 -9.951 1.183 1.00 0.00 H new ATOM 0 HG LEU A 62 -10.074 -9.243 -1.079 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -12.035 -8.563 -2.460 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -12.006 -10.319 -2.173 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -13.121 -9.285 -1.249 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -11.120 -7.002 -0.819 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -12.177 -7.656 0.456 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -10.416 -7.587 0.708 1.00 0.00 H new ATOM 893 N LYS A 63 -9.812 -12.362 2.815 1.00 0.00 N ATOM 894 CA LYS A 63 -9.835 -12.969 4.144 1.00 0.00 C ATOM 895 C LYS A 63 -8.869 -12.302 5.110 1.00 0.00 C ATOM 896 O LYS A 63 -8.997 -12.497 6.315 1.00 0.00 O ATOM 897 CB LYS A 63 -9.610 -14.494 4.090 1.00 0.00 C ATOM 898 CG LYS A 63 -8.421 -15.022 3.256 1.00 0.00 C ATOM 899 CD LYS A 63 -7.065 -14.470 3.706 1.00 0.00 C ATOM 900 CE LYS A 63 -5.847 -15.292 3.281 1.00 0.00 C ATOM 901 NZ LYS A 63 -5.719 -16.591 3.963 1.00 0.00 N ATOM 0 H LYS A 63 -9.585 -13.023 2.072 1.00 0.00 H new ATOM 0 HA LYS A 63 -10.839 -12.800 4.533 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -9.485 -14.850 5.113 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -10.520 -14.952 3.702 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -8.400 -16.110 3.317 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -8.580 -14.765 2.209 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -6.955 -13.459 3.313 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -7.067 -14.391 4.793 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -5.898 -15.464 2.206 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -4.946 -14.707 3.468 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -4.870 -17.082 3.618 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -5.638 -16.438 4.988 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -6.559 -17.171 3.765 1.00 0.00 H new ATOM 915 N LYS A 64 -7.879 -11.553 4.624 1.00 0.00 N ATOM 916 CA LYS A 64 -6.944 -10.871 5.495 1.00 0.00 C ATOM 917 C LYS A 64 -7.479 -9.516 5.922 1.00 0.00 C ATOM 918 O LYS A 64 -7.123 -9.039 6.997 1.00 0.00 O ATOM 919 CB LYS A 64 -5.591 -10.719 4.796 1.00 0.00 C ATOM 920 CG LYS A 64 -4.728 -11.985 4.933 1.00 0.00 C ATOM 921 CD LYS A 64 -3.544 -11.730 5.871 1.00 0.00 C ATOM 922 CE LYS A 64 -2.734 -13.008 6.091 1.00 0.00 C ATOM 923 NZ LYS A 64 -1.633 -12.783 7.048 1.00 0.00 N ATOM 0 H LYS A 64 -7.710 -11.408 3.629 1.00 0.00 H new ATOM 0 HA LYS A 64 -6.812 -11.474 6.394 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -5.751 -10.501 3.740 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -5.057 -9.868 5.220 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -5.334 -12.805 5.318 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -4.363 -12.291 3.953 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -2.902 -10.956 5.450 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -3.908 -11.356 6.828 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -3.388 -13.797 6.463 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -2.328 -13.353 5.140 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -1.100 -13.667 7.178 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -0.998 -12.047 6.679 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -2.024 -12.477 7.962 1.00 0.00 H new ATOM 937 N LEU A 65 -8.285 -8.864 5.082 1.00 0.00 N ATOM 938 CA LEU A 65 -8.703 -7.499 5.347 1.00 0.00 C ATOM 939 C LEU A 65 -9.760 -7.476 6.445 1.00 0.00 C ATOM 940 O LEU A 65 -9.631 -6.669 7.356 1.00 0.00 O ATOM 941 CB LEU A 65 -9.184 -6.786 4.073 1.00 0.00 C ATOM 942 CG LEU A 65 -8.032 -6.267 3.178 1.00 0.00 C ATOM 943 CD1 LEU A 65 -7.487 -7.321 2.207 1.00 0.00 C ATOM 944 CD2 LEU A 65 -8.509 -5.036 2.407 1.00 0.00 C ATOM 0 H LEU A 65 -8.656 -9.262 4.219 1.00 0.00 H new ATOM 0 HA LEU A 65 -7.835 -6.942 5.699 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -9.801 -7.473 3.494 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -9.820 -5.947 4.355 1.00 0.00 H new ATOM 0 HG LEU A 65 -7.204 -6.010 3.839 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -6.683 -6.887 1.613 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -7.103 -8.171 2.771 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -8.287 -7.655 1.546 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -7.701 -4.667 1.775 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -9.363 -5.305 1.785 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -8.804 -4.258 3.111 1.00 0.00 H new ATOM 956 N SER A 66 -10.749 -8.371 6.444 1.00 0.00 N ATOM 957 CA SER A 66 -11.936 -8.205 7.289 1.00 0.00 C ATOM 958 C SER A 66 -11.644 -8.083 8.790 1.00 0.00 C ATOM 959 O SER A 66 -12.434 -7.480 9.521 1.00 0.00 O ATOM 960 CB SER A 66 -12.931 -9.332 6.994 1.00 0.00 C ATOM 961 OG SER A 66 -14.258 -8.932 7.263 1.00 0.00 O ATOM 0 H SER A 66 -10.754 -9.215 5.871 1.00 0.00 H new ATOM 0 HA SER A 66 -12.374 -7.242 7.027 1.00 0.00 H new ATOM 0 HB2 SER A 66 -12.844 -9.631 5.950 1.00 0.00 H new ATOM 0 HB3 SER A 66 -12.683 -10.205 7.598 1.00 0.00 H new ATOM 0 HG SER A 66 -14.869 -9.672 7.064 1.00 0.00 H new ATOM 967 N LEU A 67 -10.516 -8.623 9.256 1.00 0.00 N ATOM 968 CA LEU A 67 -10.116 -8.600 10.656 1.00 0.00 C ATOM 969 C LEU A 67 -9.152 -7.456 10.990 1.00 0.00 C ATOM 970 O LEU A 67 -8.819 -7.256 12.156 1.00 0.00 O ATOM 971 CB LEU A 67 -9.487 -9.951 11.044 1.00 0.00 C ATOM 972 CG LEU A 67 -8.195 -10.321 10.283 1.00 0.00 C ATOM 973 CD1 LEU A 67 -7.234 -11.127 11.164 1.00 0.00 C ATOM 974 CD2 LEU A 67 -8.486 -11.139 9.019 1.00 0.00 C ATOM 0 H LEU A 67 -9.844 -9.098 8.654 1.00 0.00 H new ATOM 0 HA LEU A 67 -11.020 -8.426 11.239 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -9.269 -9.938 12.112 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -10.224 -10.737 10.879 1.00 0.00 H new ATOM 0 HG LEU A 67 -7.734 -9.374 10.002 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -6.336 -11.370 10.596 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -6.961 -10.537 12.039 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -7.720 -12.048 11.485 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -7.549 -11.377 8.516 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -8.995 -12.063 9.293 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -9.121 -10.560 8.349 1.00 0.00 H new ATOM 986 N LYS A 68 -8.630 -6.753 9.982 1.00 0.00 N ATOM 987 CA LYS A 68 -7.511 -5.826 10.120 1.00 0.00 C ATOM 988 C LYS A 68 -7.957 -4.379 10.254 1.00 0.00 C ATOM 989 O LYS A 68 -7.135 -3.546 10.643 1.00 0.00 O ATOM 990 CB LYS A 68 -6.581 -5.989 8.899 1.00 0.00 C ATOM 991 CG LYS A 68 -5.205 -6.544 9.273 1.00 0.00 C ATOM 992 CD LYS A 68 -5.255 -7.967 9.833 1.00 0.00 C ATOM 993 CE LYS A 68 -3.831 -8.430 10.124 1.00 0.00 C ATOM 994 NZ LYS A 68 -3.822 -9.728 10.816 1.00 0.00 N ATOM 0 H LYS A 68 -8.983 -6.816 9.027 1.00 0.00 H new ATOM 0 HA LYS A 68 -6.982 -6.070 11.041 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -7.052 -6.654 8.175 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -6.458 -5.023 8.410 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -4.564 -6.531 8.391 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -4.745 -5.887 10.011 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -5.854 -7.994 10.743 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -5.731 -8.638 9.118 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -3.274 -8.509 9.190 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -3.322 -7.685 10.736 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -2.840 -10.016 11.000 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -4.333 -9.644 11.718 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -4.287 -10.442 10.220 1.00 0.00 H new ATOM 1008 N PHE A 69 -9.198 -4.053 9.907 1.00 0.00 N ATOM 1009 CA PHE A 69 -9.671 -2.682 9.830 1.00 0.00 C ATOM 1010 C PHE A 69 -10.938 -2.586 10.659 1.00 0.00 C ATOM 1011 O PHE A 69 -11.866 -3.368 10.433 1.00 0.00 O ATOM 1012 CB PHE A 69 -9.949 -2.285 8.376 1.00 0.00 C ATOM 1013 CG PHE A 69 -8.796 -2.400 7.407 1.00 0.00 C ATOM 1014 CD1 PHE A 69 -8.424 -3.645 6.885 1.00 0.00 C ATOM 1015 CD2 PHE A 69 -8.157 -1.243 6.948 1.00 0.00 C ATOM 1016 CE1 PHE A 69 -7.424 -3.743 5.909 1.00 0.00 C ATOM 1017 CE2 PHE A 69 -7.193 -1.329 5.933 1.00 0.00 C ATOM 1018 CZ PHE A 69 -6.835 -2.577 5.407 1.00 0.00 C ATOM 0 H PHE A 69 -9.909 -4.744 9.669 1.00 0.00 H new ATOM 0 HA PHE A 69 -8.913 -1.999 10.213 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -10.767 -2.903 8.006 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -10.299 -1.253 8.367 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -8.914 -4.540 7.239 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -8.406 -0.283 7.376 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -7.110 -4.711 5.547 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -6.726 -0.431 5.556 1.00 0.00 H new ATOM 0 HZ PHE A 69 -6.104 -2.639 4.614 1.00 0.00 H new ATOM 1028 N LYS A 70 -10.968 -1.646 11.605 1.00 0.00 N ATOM 1029 CA LYS A 70 -12.115 -1.384 12.444 1.00 0.00 C ATOM 1030 C LYS A 70 -13.299 -0.983 11.593 1.00 0.00 C ATOM 1031 O LYS A 70 -14.325 -1.651 11.626 1.00 0.00 O ATOM 1032 CB LYS A 70 -11.759 -0.306 13.483 1.00 0.00 C ATOM 1033 CG LYS A 70 -12.999 0.209 14.227 1.00 0.00 C ATOM 1034 CD LYS A 70 -13.771 -0.872 14.988 1.00 0.00 C ATOM 1035 CE LYS A 70 -15.267 -0.588 14.911 1.00 0.00 C ATOM 1036 NZ LYS A 70 -16.065 -1.737 15.380 1.00 0.00 N ATOM 0 H LYS A 70 -10.174 -1.038 11.805 1.00 0.00 H new ATOM 0 HA LYS A 70 -12.394 -2.289 12.984 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -11.049 -0.716 14.202 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -11.263 0.527 12.985 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -12.691 0.982 14.931 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -13.670 0.680 13.509 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -13.555 -1.853 14.564 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -13.449 -0.897 16.029 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -15.502 0.289 15.514 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -15.540 -0.351 13.883 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -17.077 -1.507 15.313 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -15.859 -2.567 14.789 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -15.822 -1.947 16.369 1.00 0.00 H new ATOM 1050 N ASP A 71 -13.144 0.125 10.881 1.00 0.00 N ATOM 1051 CA ASP A 71 -14.235 0.855 10.252 1.00 0.00 C ATOM 1052 C ASP A 71 -13.969 0.905 8.754 1.00 0.00 C ATOM 1053 O ASP A 71 -13.645 1.965 8.217 1.00 0.00 O ATOM 1054 CB ASP A 71 -14.346 2.231 10.923 1.00 0.00 C ATOM 1055 CG ASP A 71 -15.602 2.996 10.499 1.00 0.00 C ATOM 1056 OD1 ASP A 71 -16.700 2.637 10.975 1.00 0.00 O ATOM 1057 OD2 ASP A 71 -15.490 4.007 9.775 1.00 0.00 O ATOM 0 H ASP A 71 -12.231 0.552 10.721 1.00 0.00 H new ATOM 0 HA ASP A 71 -15.202 0.369 10.382 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -14.352 2.103 12.005 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -13.465 2.823 10.676 1.00 0.00 H new ATOM 1062 N PRO A 72 -13.990 -0.247 8.057 1.00 0.00 N ATOM 1063 CA PRO A 72 -13.666 -0.305 6.638 1.00 0.00 C ATOM 1064 C PRO A 72 -14.676 0.513 5.839 1.00 0.00 C ATOM 1065 O PRO A 72 -14.320 1.147 4.846 1.00 0.00 O ATOM 1066 CB PRO A 72 -13.700 -1.791 6.280 1.00 0.00 C ATOM 1067 CG PRO A 72 -14.652 -2.394 7.289 1.00 0.00 C ATOM 1068 CD PRO A 72 -14.365 -1.568 8.542 1.00 0.00 C ATOM 0 HA PRO A 72 -12.690 0.121 6.405 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -14.050 -1.947 5.260 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -12.709 -2.240 6.349 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -15.691 -2.304 6.972 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -14.458 -3.455 7.448 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -15.242 -1.515 9.187 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -13.563 -2.013 9.131 1.00 0.00 H new ATOM 1076 N GLU A 73 -15.913 0.535 6.334 1.00 0.00 N ATOM 1077 CA GLU A 73 -17.048 1.290 5.853 1.00 0.00 C ATOM 1078 C GLU A 73 -16.791 2.796 5.739 1.00 0.00 C ATOM 1079 O GLU A 73 -17.562 3.438 5.036 1.00 0.00 O ATOM 1080 CB GLU A 73 -18.264 0.993 6.748 1.00 0.00 C ATOM 1081 CG GLU A 73 -18.010 1.225 8.247 1.00 0.00 C ATOM 1082 CD GLU A 73 -19.315 1.166 9.042 1.00 0.00 C ATOM 1083 OE1 GLU A 73 -20.087 2.151 8.995 1.00 0.00 O ATOM 1084 OE2 GLU A 73 -19.614 0.124 9.677 1.00 0.00 O ATOM 0 H GLU A 73 -16.157 -0.025 7.150 1.00 0.00 H new ATOM 0 HA GLU A 73 -17.246 0.964 4.832 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -19.098 1.619 6.430 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -18.568 -0.043 6.598 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -17.317 0.472 8.623 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -17.535 2.195 8.393 1.00 0.00 H new ATOM 1091 N ASN A 74 -15.729 3.380 6.323 1.00 0.00 N ATOM 1092 CA ASN A 74 -15.364 4.785 6.062 1.00 0.00 C ATOM 1093 C ASN A 74 -13.859 5.045 6.003 1.00 0.00 C ATOM 1094 O ASN A 74 -13.459 6.138 5.596 1.00 0.00 O ATOM 1095 CB ASN A 74 -15.990 5.741 7.080 1.00 0.00 C ATOM 1096 CG ASN A 74 -17.481 5.516 7.248 1.00 0.00 C ATOM 1097 OD1 ASN A 74 -18.270 5.971 6.421 1.00 0.00 O ATOM 1098 ND2 ASN A 74 -17.877 4.820 8.296 1.00 0.00 N ATOM 0 H ASN A 74 -15.109 2.902 6.977 1.00 0.00 H new ATOM 0 HA ASN A 74 -15.769 4.980 5.069 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -15.496 5.615 8.043 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -15.814 6.769 6.764 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -18.870 4.642 8.444 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -17.190 4.460 8.958 1.00 0.00 H new ATOM 1105 N THR A 75 -13.028 4.074 6.385 1.00 0.00 N ATOM 1106 CA THR A 75 -11.582 4.091 6.207 1.00 0.00 C ATOM 1107 C THR A 75 -11.281 4.292 4.722 1.00 0.00 C ATOM 1108 O THR A 75 -11.801 3.532 3.909 1.00 0.00 O ATOM 1109 CB THR A 75 -11.042 2.738 6.705 1.00 0.00 C ATOM 1110 OG1 THR A 75 -11.087 2.685 8.115 1.00 0.00 O ATOM 1111 CG2 THR A 75 -9.625 2.409 6.226 1.00 0.00 C ATOM 0 H THR A 75 -13.359 3.225 6.843 1.00 0.00 H new ATOM 0 HA THR A 75 -11.109 4.898 6.766 1.00 0.00 H new ATOM 0 HB THR A 75 -11.696 1.983 6.268 1.00 0.00 H new ATOM 0 HG1 THR A 75 -12.010 2.536 8.407 1.00 0.00 H new ATOM 0 HG21 THR A 75 -9.323 1.440 6.622 1.00 0.00 H new ATOM 0 HG22 THR A 75 -9.607 2.377 5.137 1.00 0.00 H new ATOM 0 HG23 THR A 75 -8.935 3.176 6.578 1.00 0.00 H new ATOM 1119 N THR A 76 -10.412 5.239 4.366 1.00 0.00 N ATOM 1120 CA THR A 76 -9.956 5.449 2.994 1.00 0.00 C ATOM 1121 C THR A 76 -8.673 4.631 2.776 1.00 0.00 C ATOM 1122 O THR A 76 -7.617 4.979 3.307 1.00 0.00 O ATOM 1123 CB THR A 76 -9.729 6.952 2.747 1.00 0.00 C ATOM 1124 OG1 THR A 76 -10.677 7.753 3.435 1.00 0.00 O ATOM 1125 CG2 THR A 76 -9.760 7.263 1.254 1.00 0.00 C ATOM 0 H THR A 76 -10.000 5.891 5.034 1.00 0.00 H new ATOM 0 HA THR A 76 -10.707 5.112 2.280 1.00 0.00 H new ATOM 0 HB THR A 76 -8.743 7.197 3.141 1.00 0.00 H new ATOM 0 HG1 THR A 76 -10.263 8.133 4.238 1.00 0.00 H new ATOM 0 HG21 THR A 76 -9.598 8.330 1.101 1.00 0.00 H new ATOM 0 HG22 THR A 76 -8.975 6.700 0.749 1.00 0.00 H new ATOM 0 HG23 THR A 76 -10.730 6.981 0.844 1.00 0.00 H new ATOM 1133 N LEU A 77 -8.737 3.481 2.103 1.00 0.00 N ATOM 1134 CA LEU A 77 -7.529 2.676 1.898 1.00 0.00 C ATOM 1135 C LEU A 77 -6.700 3.264 0.765 1.00 0.00 C ATOM 1136 O LEU A 77 -7.238 3.852 -0.176 1.00 0.00 O ATOM 1137 CB LEU A 77 -7.863 1.208 1.571 1.00 0.00 C ATOM 1138 CG LEU A 77 -7.303 0.170 2.558 1.00 0.00 C ATOM 1139 CD1 LEU A 77 -7.623 -1.249 2.074 1.00 0.00 C ATOM 1140 CD2 LEU A 77 -5.786 0.294 2.722 1.00 0.00 C ATOM 0 H LEU A 77 -9.589 3.092 1.699 1.00 0.00 H new ATOM 0 HA LEU A 77 -6.963 2.696 2.829 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -8.947 1.100 1.532 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -7.483 0.980 0.575 1.00 0.00 H new ATOM 0 HG LEU A 77 -7.776 0.362 3.521 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -7.221 -1.974 2.782 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -8.703 -1.374 2.001 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -7.172 -1.410 1.095 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -5.434 -0.458 3.428 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -5.302 0.141 1.757 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -5.541 1.287 3.098 1.00 0.00 H new ATOM 1152 N TYR A 78 -5.408 2.952 0.762 1.00 0.00 N ATOM 1153 CA TYR A 78 -4.491 3.203 -0.335 1.00 0.00 C ATOM 1154 C TYR A 78 -3.672 1.933 -0.509 1.00 0.00 C ATOM 1155 O TYR A 78 -2.945 1.539 0.402 1.00 0.00 O ATOM 1156 CB TYR A 78 -3.612 4.423 -0.035 1.00 0.00 C ATOM 1157 CG TYR A 78 -4.385 5.729 0.004 1.00 0.00 C ATOM 1158 CD1 TYR A 78 -5.220 6.031 1.096 1.00 0.00 C ATOM 1159 CD2 TYR A 78 -4.312 6.626 -1.075 1.00 0.00 C ATOM 1160 CE1 TYR A 78 -6.023 7.180 1.085 1.00 0.00 C ATOM 1161 CE2 TYR A 78 -5.065 7.811 -1.064 1.00 0.00 C ATOM 1162 CZ TYR A 78 -5.967 8.065 -0.012 1.00 0.00 C ATOM 1163 OH TYR A 78 -6.783 9.152 -0.062 1.00 0.00 O ATOM 0 H TYR A 78 -4.957 2.500 1.557 1.00 0.00 H new ATOM 0 HA TYR A 78 -5.021 3.437 -1.258 1.00 0.00 H new ATOM 0 HB2 TYR A 78 -3.114 4.276 0.923 1.00 0.00 H new ATOM 0 HB3 TYR A 78 -2.831 4.494 -0.792 1.00 0.00 H new ATOM 0 HD1 TYR A 78 -5.242 5.371 1.951 1.00 0.00 H new ATOM 0 HD2 TYR A 78 -3.674 6.403 -1.917 1.00 0.00 H new ATOM 0 HE1 TYR A 78 -6.683 7.387 1.914 1.00 0.00 H new ATOM 0 HE2 TYR A 78 -4.953 8.529 -1.863 1.00 0.00 H new ATOM 0 HH TYR A 78 -6.611 9.653 -0.887 1.00 0.00 H new ATOM 1173 N ILE A 79 -3.797 1.254 -1.645 1.00 0.00 N ATOM 1174 CA ILE A 79 -2.888 0.150 -1.950 1.00 0.00 C ATOM 1175 C ILE A 79 -1.491 0.707 -2.215 1.00 0.00 C ATOM 1176 O ILE A 79 -1.367 1.884 -2.555 1.00 0.00 O ATOM 1177 CB ILE A 79 -3.487 -0.642 -3.124 1.00 0.00 C ATOM 1178 CG1 ILE A 79 -4.755 -1.327 -2.561 1.00 0.00 C ATOM 1179 CG2 ILE A 79 -2.573 -1.708 -3.734 1.00 0.00 C ATOM 1180 CD1 ILE A 79 -6.018 -0.712 -3.138 1.00 0.00 C ATOM 0 H ILE A 79 -4.503 1.441 -2.357 1.00 0.00 H new ATOM 0 HA ILE A 79 -2.778 -0.543 -1.116 1.00 0.00 H new ATOM 0 HB ILE A 79 -3.674 0.056 -3.940 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -4.728 -2.392 -2.792 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -4.768 -1.237 -1.475 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -3.092 -2.207 -4.553 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -1.666 -1.236 -4.112 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -2.310 -2.441 -2.972 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -6.891 -1.216 -2.722 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -6.055 0.347 -2.884 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -6.016 -0.826 -4.222 1.00 0.00 H new ATOM 1192 N LEU A 80 -0.451 -0.130 -2.161 1.00 0.00 N ATOM 1193 CA LEU A 80 0.906 0.224 -2.571 1.00 0.00 C ATOM 1194 C LEU A 80 1.553 -1.002 -3.225 1.00 0.00 C ATOM 1195 O LEU A 80 1.843 -1.967 -2.512 1.00 0.00 O ATOM 1196 CB LEU A 80 1.675 0.719 -1.332 1.00 0.00 C ATOM 1197 CG LEU A 80 2.832 1.689 -1.620 1.00 0.00 C ATOM 1198 CD1 LEU A 80 3.606 1.952 -0.322 1.00 0.00 C ATOM 1199 CD2 LEU A 80 3.815 1.216 -2.677 1.00 0.00 C ATOM 0 H LEU A 80 -0.533 -1.089 -1.825 1.00 0.00 H new ATOM 0 HA LEU A 80 0.914 1.029 -3.306 1.00 0.00 H new ATOM 0 HB2 LEU A 80 0.971 1.209 -0.660 1.00 0.00 H new ATOM 0 HB3 LEU A 80 2.072 -0.147 -0.802 1.00 0.00 H new ATOM 0 HG LEU A 80 2.365 2.591 -2.015 1.00 0.00 H new ATOM 0 HD11 LEU A 80 4.428 2.640 -0.521 1.00 0.00 H new ATOM 0 HD12 LEU A 80 2.937 2.391 0.418 1.00 0.00 H new ATOM 0 HD13 LEU A 80 4.004 1.012 0.061 1.00 0.00 H new ATOM 0 HD21 LEU A 80 4.595 1.966 -2.811 1.00 0.00 H new ATOM 0 HD22 LEU A 80 4.266 0.276 -2.359 1.00 0.00 H new ATOM 0 HD23 LEU A 80 3.290 1.066 -3.621 1.00 0.00 H new ATOM 1211 N ASP A 81 1.739 -0.997 -4.551 1.00 0.00 N ATOM 1212 CA ASP A 81 2.475 -2.043 -5.287 1.00 0.00 C ATOM 1213 C ASP A 81 3.978 -1.716 -5.385 1.00 0.00 C ATOM 1214 O ASP A 81 4.412 -0.642 -4.992 1.00 0.00 O ATOM 1215 CB ASP A 81 1.883 -2.260 -6.692 1.00 0.00 C ATOM 1216 CG ASP A 81 2.502 -3.502 -7.328 1.00 0.00 C ATOM 1217 OD1 ASP A 81 2.221 -4.613 -6.839 1.00 0.00 O ATOM 1218 OD2 ASP A 81 3.393 -3.380 -8.199 1.00 0.00 O ATOM 0 H ASP A 81 1.379 -0.258 -5.155 1.00 0.00 H new ATOM 0 HA ASP A 81 2.366 -2.968 -4.721 1.00 0.00 H new ATOM 0 HB2 ASP A 81 0.801 -2.374 -6.627 1.00 0.00 H new ATOM 0 HB3 ASP A 81 2.074 -1.387 -7.316 1.00 0.00 H new ATOM 1223 N LYS A 82 4.800 -2.653 -5.858 1.00 0.00 N ATOM 1224 CA LYS A 82 6.220 -2.522 -6.175 1.00 0.00 C ATOM 1225 C LYS A 82 6.395 -1.497 -7.289 1.00 0.00 C ATOM 1226 O LYS A 82 7.222 -0.607 -7.132 1.00 0.00 O ATOM 1227 CB LYS A 82 6.748 -3.930 -6.559 1.00 0.00 C ATOM 1228 CG LYS A 82 6.527 -5.010 -5.474 1.00 0.00 C ATOM 1229 CD LYS A 82 6.800 -6.447 -5.944 1.00 0.00 C ATOM 1230 CE LYS A 82 8.287 -6.643 -6.229 1.00 0.00 C ATOM 1231 NZ LYS A 82 8.641 -8.025 -6.606 1.00 0.00 N ATOM 0 H LYS A 82 4.462 -3.597 -6.044 1.00 0.00 H new ATOM 0 HA LYS A 82 6.797 -2.160 -5.324 1.00 0.00 H new ATOM 0 HB2 LYS A 82 6.259 -4.250 -7.479 1.00 0.00 H new ATOM 0 HB3 LYS A 82 7.814 -3.859 -6.773 1.00 0.00 H new ATOM 0 HG2 LYS A 82 7.172 -4.790 -4.623 1.00 0.00 H new ATOM 0 HG3 LYS A 82 5.498 -4.946 -5.119 1.00 0.00 H new ATOM 0 HD2 LYS A 82 6.474 -7.154 -5.181 1.00 0.00 H new ATOM 0 HD3 LYS A 82 6.221 -6.658 -6.843 1.00 0.00 H new ATOM 0 HE2 LYS A 82 8.586 -5.969 -7.032 1.00 0.00 H new ATOM 0 HE3 LYS A 82 8.858 -6.359 -5.345 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 9.664 -8.085 -6.785 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 8.386 -8.672 -5.833 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 8.123 -8.294 -7.467 1.00 0.00 H new ATOM 1245 N PHE A 83 5.637 -1.600 -8.379 1.00 0.00 N ATOM 1246 CA PHE A 83 5.701 -0.684 -9.511 1.00 0.00 C ATOM 1247 C PHE A 83 4.275 -0.406 -9.952 1.00 0.00 C ATOM 1248 O PHE A 83 3.694 0.604 -9.565 1.00 0.00 O ATOM 1249 CB PHE A 83 6.538 -1.288 -10.652 1.00 0.00 C ATOM 1250 CG PHE A 83 8.034 -1.210 -10.445 1.00 0.00 C ATOM 1251 CD1 PHE A 83 8.687 -2.169 -9.650 1.00 0.00 C ATOM 1252 CD2 PHE A 83 8.776 -0.170 -11.036 1.00 0.00 C ATOM 1253 CE1 PHE A 83 10.071 -2.078 -9.435 1.00 0.00 C ATOM 1254 CE2 PHE A 83 10.163 -0.092 -10.825 1.00 0.00 C ATOM 1255 CZ PHE A 83 10.812 -1.047 -10.031 1.00 0.00 C ATOM 0 H PHE A 83 4.946 -2.340 -8.500 1.00 0.00 H new ATOM 0 HA PHE A 83 6.189 0.248 -9.227 1.00 0.00 H new ATOM 0 HB2 PHE A 83 6.256 -2.333 -10.778 1.00 0.00 H new ATOM 0 HB3 PHE A 83 6.286 -0.776 -11.580 1.00 0.00 H new ATOM 0 HD1 PHE A 83 8.123 -2.976 -9.205 1.00 0.00 H new ATOM 0 HD2 PHE A 83 8.280 0.567 -11.651 1.00 0.00 H new ATOM 0 HE1 PHE A 83 10.567 -2.804 -8.808 1.00 0.00 H new ATOM 0 HE2 PHE A 83 10.731 0.708 -11.277 1.00 0.00 H new ATOM 0 HZ PHE A 83 11.880 -0.989 -9.878 1.00 0.00 H new ATOM 1265 N ASP A 84 3.699 -1.313 -10.740 1.00 0.00 N ATOM 1266 CA ASP A 84 2.351 -1.186 -11.267 1.00 0.00 C ATOM 1267 C ASP A 84 1.516 -2.260 -10.585 1.00 0.00 C ATOM 1268 O ASP A 84 0.582 -1.959 -9.837 1.00 0.00 O ATOM 1269 CB ASP A 84 2.307 -1.380 -12.787 1.00 0.00 C ATOM 1270 CG ASP A 84 2.963 -0.307 -13.648 1.00 0.00 C ATOM 1271 OD1 ASP A 84 3.462 0.732 -13.161 1.00 0.00 O ATOM 1272 OD2 ASP A 84 3.035 -0.561 -14.873 1.00 0.00 O ATOM 0 H ASP A 84 4.169 -2.170 -11.032 1.00 0.00 H new ATOM 0 HA ASP A 84 1.969 -0.184 -11.070 1.00 0.00 H new ATOM 0 HB2 ASP A 84 2.780 -2.334 -13.019 1.00 0.00 H new ATOM 0 HB3 ASP A 84 1.262 -1.461 -13.087 1.00 0.00 H new ATOM 1277 N GLY A 85 1.883 -3.521 -10.828 1.00 0.00 N ATOM 1278 CA GLY A 85 1.207 -4.695 -10.307 1.00 0.00 C ATOM 1279 C GLY A 85 -0.246 -4.670 -10.746 1.00 0.00 C ATOM 1280 O GLY A 85 -0.531 -4.648 -11.944 1.00 0.00 O ATOM 0 H GLY A 85 2.686 -3.752 -11.413 1.00 0.00 H new ATOM 0 HA2 GLY A 85 1.693 -5.600 -10.670 1.00 0.00 H new ATOM 0 HA3 GLY A 85 1.270 -4.713 -9.219 1.00 0.00 H new ATOM 1284 N ASN A 86 -1.160 -4.646 -9.778 1.00 0.00 N ATOM 1285 CA ASN A 86 -2.597 -4.515 -9.996 1.00 0.00 C ATOM 1286 C ASN A 86 -3.177 -3.521 -8.985 1.00 0.00 C ATOM 1287 O ASN A 86 -4.298 -3.702 -8.517 1.00 0.00 O ATOM 1288 CB ASN A 86 -3.282 -5.885 -9.870 1.00 0.00 C ATOM 1289 CG ASN A 86 -2.953 -6.894 -10.954 1.00 0.00 C ATOM 1290 OD1 ASN A 86 -2.439 -7.972 -10.667 1.00 0.00 O ATOM 1291 ND2 ASN A 86 -3.265 -6.618 -12.205 1.00 0.00 N ATOM 0 H ASN A 86 -0.912 -4.719 -8.791 1.00 0.00 H new ATOM 0 HA ASN A 86 -2.778 -4.140 -11.003 1.00 0.00 H new ATOM 0 HB2 ASN A 86 -3.013 -6.316 -8.906 1.00 0.00 H new ATOM 0 HB3 ASN A 86 -4.361 -5.730 -9.860 1.00 0.00 H new ATOM 0 HD21 ASN A 86 -3.080 -7.301 -12.939 1.00 0.00 H new ATOM 0 HD22 ASN A 86 -3.692 -5.721 -12.438 1.00 0.00 H new ATOM 1298 N SER A 87 -2.407 -2.517 -8.565 1.00 0.00 N ATOM 1299 CA SER A 87 -2.798 -1.540 -7.553 1.00 0.00 C ATOM 1300 C SER A 87 -4.199 -0.978 -7.804 1.00 0.00 C ATOM 1301 O SER A 87 -5.081 -1.101 -6.954 1.00 0.00 O ATOM 1302 CB SER A 87 -1.751 -0.431 -7.534 1.00 0.00 C ATOM 1303 OG SER A 87 -1.438 -0.018 -8.845 1.00 0.00 O ATOM 0 H SER A 87 -1.468 -2.358 -8.931 1.00 0.00 H new ATOM 0 HA SER A 87 -2.843 -2.030 -6.580 1.00 0.00 H new ATOM 0 HB2 SER A 87 -2.123 0.417 -6.959 1.00 0.00 H new ATOM 0 HB3 SER A 87 -0.849 -0.784 -7.034 1.00 0.00 H new ATOM 0 HG SER A 87 -0.702 -0.564 -9.193 1.00 0.00 H new ATOM 1309 N GLU A 88 -4.414 -0.416 -8.992 1.00 0.00 N ATOM 1310 CA GLU A 88 -5.657 0.227 -9.404 1.00 0.00 C ATOM 1311 C GLU A 88 -6.817 -0.768 -9.531 1.00 0.00 C ATOM 1312 O GLU A 88 -7.974 -0.358 -9.598 1.00 0.00 O ATOM 1313 CB GLU A 88 -5.440 0.955 -10.737 1.00 0.00 C ATOM 1314 CG GLU A 88 -4.409 2.080 -10.600 1.00 0.00 C ATOM 1315 CD GLU A 88 -4.176 2.791 -11.926 1.00 0.00 C ATOM 1316 OE1 GLU A 88 -3.406 2.246 -12.750 1.00 0.00 O ATOM 1317 OE2 GLU A 88 -4.796 3.856 -12.149 1.00 0.00 O ATOM 0 H GLU A 88 -3.700 -0.396 -9.720 1.00 0.00 H new ATOM 0 HA GLU A 88 -5.932 0.941 -8.627 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -5.105 0.243 -11.491 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -6.387 1.368 -11.086 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -4.751 2.799 -9.856 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -3.467 1.669 -10.236 1.00 0.00 H new ATOM 1324 N LEU A 89 -6.531 -2.071 -9.582 1.00 0.00 N ATOM 1325 CA LEU A 89 -7.531 -3.131 -9.608 1.00 0.00 C ATOM 1326 C LEU A 89 -8.073 -3.340 -8.198 1.00 0.00 C ATOM 1327 O LEU A 89 -9.282 -3.309 -7.966 1.00 0.00 O ATOM 1328 CB LEU A 89 -6.873 -4.415 -10.142 1.00 0.00 C ATOM 1329 CG LEU A 89 -7.803 -5.511 -10.663 1.00 0.00 C ATOM 1330 CD1 LEU A 89 -8.705 -6.127 -9.589 1.00 0.00 C ATOM 1331 CD2 LEU A 89 -8.643 -4.988 -11.834 1.00 0.00 C ATOM 0 H LEU A 89 -5.574 -2.422 -9.607 1.00 0.00 H new ATOM 0 HA LEU A 89 -8.362 -2.863 -10.260 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -6.194 -4.137 -10.948 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -6.264 -4.840 -9.344 1.00 0.00 H new ATOM 0 HG LEU A 89 -7.154 -6.317 -11.005 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -9.334 -6.895 -10.039 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -8.089 -6.573 -8.808 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -9.335 -5.351 -9.154 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -9.300 -5.780 -12.193 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -9.244 -4.142 -11.501 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -7.983 -4.670 -12.641 1.00 0.00 H new ATOM 1343 N VAL A 90 -7.172 -3.538 -7.236 1.00 0.00 N ATOM 1344 CA VAL A 90 -7.521 -3.637 -5.826 1.00 0.00 C ATOM 1345 C VAL A 90 -8.236 -2.329 -5.415 1.00 0.00 C ATOM 1346 O VAL A 90 -9.203 -2.372 -4.644 1.00 0.00 O ATOM 1347 CB VAL A 90 -6.224 -3.905 -5.018 1.00 0.00 C ATOM 1348 CG1 VAL A 90 -6.512 -4.197 -3.539 1.00 0.00 C ATOM 1349 CG2 VAL A 90 -5.366 -5.051 -5.596 1.00 0.00 C ATOM 0 H VAL A 90 -6.173 -3.634 -7.419 1.00 0.00 H new ATOM 0 HA VAL A 90 -8.204 -4.462 -5.624 1.00 0.00 H new ATOM 0 HB VAL A 90 -5.654 -2.980 -5.101 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -5.574 -4.378 -3.015 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -7.019 -3.342 -3.091 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -7.148 -5.078 -3.459 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -4.475 -5.184 -4.982 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -5.946 -5.974 -5.599 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -5.070 -4.805 -6.616 1.00 0.00 H new ATOM 1359 N ALA A 91 -7.828 -1.179 -5.985 1.00 0.00 N ATOM 1360 CA ALA A 91 -8.367 0.145 -5.685 1.00 0.00 C ATOM 1361 C ALA A 91 -9.853 0.274 -6.058 1.00 0.00 C ATOM 1362 O ALA A 91 -10.515 1.184 -5.559 1.00 0.00 O ATOM 1363 CB ALA A 91 -7.570 1.233 -6.404 1.00 0.00 C ATOM 0 H ALA A 91 -7.090 -1.154 -6.689 1.00 0.00 H new ATOM 0 HA ALA A 91 -8.278 0.275 -4.606 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -7.990 2.210 -6.165 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -6.530 1.196 -6.080 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -7.621 1.070 -7.481 1.00 0.00 H new ATOM 1369 N GLU A 92 -10.423 -0.668 -6.820 1.00 0.00 N ATOM 1370 CA GLU A 92 -11.852 -0.738 -7.143 1.00 0.00 C ATOM 1371 C GLU A 92 -12.508 -2.044 -6.667 1.00 0.00 C ATOM 1372 O GLU A 92 -13.648 -2.320 -7.029 1.00 0.00 O ATOM 1373 CB GLU A 92 -12.064 -0.502 -8.643 1.00 0.00 C ATOM 1374 CG GLU A 92 -11.445 -1.593 -9.529 1.00 0.00 C ATOM 1375 CD GLU A 92 -11.848 -1.414 -10.985 1.00 0.00 C ATOM 1376 OE1 GLU A 92 -11.463 -0.387 -11.594 1.00 0.00 O ATOM 1377 OE2 GLU A 92 -12.544 -2.302 -11.533 1.00 0.00 O ATOM 0 H GLU A 92 -9.885 -1.425 -7.241 1.00 0.00 H new ATOM 0 HA GLU A 92 -12.354 0.057 -6.593 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -13.133 -0.444 -8.846 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -11.635 0.462 -8.915 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -10.359 -1.562 -9.443 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -11.765 -2.574 -9.179 1.00 0.00 H new ATOM 1384 N LEU A 93 -11.826 -2.873 -5.872 1.00 0.00 N ATOM 1385 CA LEU A 93 -12.396 -4.105 -5.338 1.00 0.00 C ATOM 1386 C LEU A 93 -12.871 -3.928 -3.897 1.00 0.00 C ATOM 1387 O LEU A 93 -14.012 -4.272 -3.595 1.00 0.00 O ATOM 1388 CB LEU A 93 -11.365 -5.233 -5.488 1.00 0.00 C ATOM 1389 CG LEU A 93 -11.905 -6.633 -5.136 1.00 0.00 C ATOM 1390 CD1 LEU A 93 -12.962 -7.111 -6.133 1.00 0.00 C ATOM 1391 CD2 LEU A 93 -10.746 -7.634 -5.160 1.00 0.00 C ATOM 0 H LEU A 93 -10.862 -2.705 -5.582 1.00 0.00 H new ATOM 0 HA LEU A 93 -13.287 -4.373 -5.907 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -11.002 -5.244 -6.516 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -10.509 -5.015 -4.850 1.00 0.00 H new ATOM 0 HG LEU A 93 -12.363 -6.569 -4.149 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -13.313 -8.102 -5.844 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -13.801 -6.415 -6.135 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -12.526 -7.157 -7.131 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -11.118 -8.628 -4.912 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -10.301 -7.651 -6.155 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -9.993 -7.336 -4.430 1.00 0.00 H new ATOM 1403 N VAL A 94 -12.025 -3.432 -2.989 1.00 0.00 N ATOM 1404 CA VAL A 94 -12.389 -3.259 -1.578 1.00 0.00 C ATOM 1405 C VAL A 94 -13.642 -2.387 -1.393 1.00 0.00 C ATOM 1406 O VAL A 94 -14.530 -2.767 -0.627 1.00 0.00 O ATOM 1407 CB VAL A 94 -11.209 -2.721 -0.742 1.00 0.00 C ATOM 1408 CG1 VAL A 94 -10.145 -3.777 -0.478 1.00 0.00 C ATOM 1409 CG2 VAL A 94 -10.465 -1.537 -1.369 1.00 0.00 C ATOM 0 H VAL A 94 -11.073 -3.140 -3.209 1.00 0.00 H new ATOM 0 HA VAL A 94 -12.636 -4.253 -1.205 1.00 0.00 H new ATOM 0 HB VAL A 94 -11.704 -2.403 0.175 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -9.340 -3.342 0.114 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -10.587 -4.611 0.068 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -9.745 -4.136 -1.426 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -9.653 -1.228 -0.711 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -10.056 -1.834 -2.335 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -11.156 -0.706 -1.508 1.00 0.00 H new ATOM 1419 N ALA A 95 -13.739 -1.254 -2.096 1.00 0.00 N ATOM 1420 CA ALA A 95 -14.851 -0.312 -2.014 1.00 0.00 C ATOM 1421 C ALA A 95 -16.159 -0.980 -2.455 1.00 0.00 C ATOM 1422 O ALA A 95 -17.244 -0.601 -2.020 1.00 0.00 O ATOM 1423 CB ALA A 95 -14.560 0.916 -2.897 1.00 0.00 C ATOM 0 H ALA A 95 -13.020 -0.961 -2.758 1.00 0.00 H new ATOM 0 HA ALA A 95 -14.961 0.008 -0.978 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -15.393 1.616 -2.832 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -13.648 1.404 -2.553 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -14.433 0.598 -3.932 1.00 0.00 H new ATOM 1429 N LEU A 96 -16.066 -1.995 -3.315 1.00 0.00 N ATOM 1430 CA LEU A 96 -17.193 -2.754 -3.846 1.00 0.00 C ATOM 1431 C LEU A 96 -17.470 -3.997 -2.987 1.00 0.00 C ATOM 1432 O LEU A 96 -18.464 -4.693 -3.194 1.00 0.00 O ATOM 1433 CB LEU A 96 -16.889 -3.123 -5.309 1.00 0.00 C ATOM 1434 CG LEU A 96 -17.154 -1.972 -6.302 1.00 0.00 C ATOM 1435 CD1 LEU A 96 -16.386 -0.666 -6.051 1.00 0.00 C ATOM 1436 CD2 LEU A 96 -16.918 -2.445 -7.735 1.00 0.00 C ATOM 0 H LEU A 96 -15.168 -2.321 -3.673 1.00 0.00 H new ATOM 0 HA LEU A 96 -18.098 -2.148 -3.815 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -15.846 -3.428 -5.389 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -17.496 -3.983 -5.592 1.00 0.00 H new ATOM 0 HG LEU A 96 -18.200 -1.712 -6.136 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -16.655 0.066 -6.812 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -16.643 -0.276 -5.066 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -15.314 -0.860 -6.096 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -17.108 -1.623 -8.425 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -15.886 -2.778 -7.843 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -17.591 -3.272 -7.961 1.00 0.00 H new ATOM 1448 N ASN A 97 -16.615 -4.279 -1.998 1.00 0.00 N ATOM 1449 CA ASN A 97 -16.670 -5.436 -1.106 1.00 0.00 C ATOM 1450 C ASN A 97 -16.851 -4.985 0.352 1.00 0.00 C ATOM 1451 O ASN A 97 -16.579 -5.758 1.275 1.00 0.00 O ATOM 1452 CB ASN A 97 -15.445 -6.352 -1.319 1.00 0.00 C ATOM 1453 CG ASN A 97 -15.612 -7.244 -2.542 1.00 0.00 C ATOM 1454 OD1 ASN A 97 -15.849 -8.444 -2.428 1.00 0.00 O ATOM 1455 ND2 ASN A 97 -15.495 -6.704 -3.739 1.00 0.00 N ATOM 0 H ASN A 97 -15.823 -3.671 -1.789 1.00 0.00 H new ATOM 0 HA ASN A 97 -17.544 -6.039 -1.352 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -14.550 -5.741 -1.434 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -15.296 -6.972 -0.435 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -15.601 -7.283 -4.572 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -15.298 -5.707 -3.832 1.00 0.00 H new ATOM 1462 N GLY A 98 -17.302 -3.751 0.596 1.00 0.00 N ATOM 1463 CA GLY A 98 -17.760 -3.302 1.909 1.00 0.00 C ATOM 1464 C GLY A 98 -16.893 -2.235 2.563 1.00 0.00 C ATOM 1465 O GLY A 98 -17.208 -1.817 3.680 1.00 0.00 O ATOM 0 H GLY A 98 -17.359 -3.029 -0.123 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -18.774 -2.915 1.810 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -17.812 -4.164 2.574 1.00 0.00 H new ATOM 1469 N PHE A 99 -15.814 -1.797 1.914 1.00 0.00 N ATOM 1470 CA PHE A 99 -15.133 -0.569 2.303 1.00 0.00 C ATOM 1471 C PHE A 99 -15.782 0.631 1.601 1.00 0.00 C ATOM 1472 O PHE A 99 -16.677 0.450 0.776 1.00 0.00 O ATOM 1473 CB PHE A 99 -13.644 -0.661 1.978 1.00 0.00 C ATOM 1474 CG PHE A 99 -12.812 -1.556 2.884 1.00 0.00 C ATOM 1475 CD1 PHE A 99 -12.921 -2.957 2.797 1.00 0.00 C ATOM 1476 CD2 PHE A 99 -11.858 -0.988 3.759 1.00 0.00 C ATOM 1477 CE1 PHE A 99 -12.118 -3.781 3.606 1.00 0.00 C ATOM 1478 CE2 PHE A 99 -11.008 -1.815 4.512 1.00 0.00 C ATOM 1479 CZ PHE A 99 -11.152 -3.211 4.453 1.00 0.00 C ATOM 0 H PHE A 99 -15.395 -2.277 1.117 1.00 0.00 H new ATOM 0 HA PHE A 99 -15.230 -0.430 3.380 1.00 0.00 H new ATOM 0 HB2 PHE A 99 -13.539 -1.018 0.954 1.00 0.00 H new ATOM 0 HB3 PHE A 99 -13.224 0.344 2.010 1.00 0.00 H new ATOM 0 HD1 PHE A 99 -13.623 -3.400 2.107 1.00 0.00 H new ATOM 0 HD2 PHE A 99 -11.782 0.086 3.849 1.00 0.00 H new ATOM 0 HE1 PHE A 99 -12.244 -4.853 3.576 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -10.243 -1.377 5.137 1.00 0.00 H new ATOM 0 HZ PHE A 99 -10.521 -3.846 5.058 1.00 0.00 H new ATOM 1489 N LYS A 100 -15.343 1.856 1.912 1.00 0.00 N ATOM 1490 CA LYS A 100 -15.924 3.078 1.355 1.00 0.00 C ATOM 1491 C LYS A 100 -15.365 3.441 -0.017 1.00 0.00 C ATOM 1492 O LYS A 100 -16.080 3.319 -1.011 1.00 0.00 O ATOM 1493 CB LYS A 100 -15.751 4.214 2.368 1.00 0.00 C ATOM 1494 CG LYS A 100 -16.541 5.504 2.093 1.00 0.00 C ATOM 1495 CD LYS A 100 -17.946 5.380 1.480 1.00 0.00 C ATOM 1496 CE LYS A 100 -18.948 4.555 2.295 1.00 0.00 C ATOM 1497 NZ LYS A 100 -19.199 5.085 3.652 1.00 0.00 N ATOM 0 H LYS A 100 -14.573 2.026 2.559 1.00 0.00 H new ATOM 0 HA LYS A 100 -16.986 2.903 1.182 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -16.038 3.841 3.351 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -14.692 4.467 2.420 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -16.636 6.044 3.035 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -15.942 6.126 1.428 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -18.353 6.382 1.342 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -17.854 4.934 0.490 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -19.893 4.510 1.753 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -18.579 3.533 2.378 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -18.643 4.543 4.344 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -18.920 6.086 3.691 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -20.211 4.999 3.877 1.00 0.00 H new ATOM 1511 N SER A 101 -14.138 3.959 -0.064 1.00 0.00 N ATOM 1512 CA SER A 101 -13.554 4.588 -1.236 1.00 0.00 C ATOM 1513 C SER A 101 -12.061 4.327 -1.210 1.00 0.00 C ATOM 1514 O SER A 101 -11.433 4.496 -0.166 1.00 0.00 O ATOM 1515 CB SER A 101 -13.764 6.096 -1.185 1.00 0.00 C ATOM 1516 OG SER A 101 -15.139 6.433 -1.064 1.00 0.00 O ATOM 0 H SER A 101 -13.509 3.949 0.739 1.00 0.00 H new ATOM 0 HA SER A 101 -14.021 4.185 -2.135 1.00 0.00 H new ATOM 0 HB2 SER A 101 -13.212 6.512 -0.342 1.00 0.00 H new ATOM 0 HB3 SER A 101 -13.356 6.551 -2.088 1.00 0.00 H new ATOM 0 HG SER A 101 -15.235 7.408 -1.033 1.00 0.00 H new ATOM 1522 N ALA A 102 -11.502 3.856 -2.318 1.00 0.00 N ATOM 1523 CA ALA A 102 -10.133 3.375 -2.367 1.00 0.00 C ATOM 1524 C ALA A 102 -9.379 3.981 -3.545 1.00 0.00 C ATOM 1525 O ALA A 102 -9.954 4.516 -4.492 1.00 0.00 O ATOM 1526 CB ALA A 102 -10.141 1.844 -2.375 1.00 0.00 C ATOM 0 H ALA A 102 -11.991 3.798 -3.211 1.00 0.00 H new ATOM 0 HA ALA A 102 -9.591 3.699 -1.478 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -9.116 1.475 -2.412 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -10.626 1.478 -1.470 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -10.686 1.488 -3.249 1.00 0.00 H new ATOM 1532 N TYR A 103 -8.059 3.952 -3.409 1.00 0.00 N ATOM 1533 CA TYR A 103 -7.058 4.678 -4.169 1.00 0.00 C ATOM 1534 C TYR A 103 -5.845 3.766 -4.386 1.00 0.00 C ATOM 1535 O TYR A 103 -5.575 2.867 -3.583 1.00 0.00 O ATOM 1536 CB TYR A 103 -6.595 5.886 -3.336 1.00 0.00 C ATOM 1537 CG TYR A 103 -7.377 7.186 -3.434 1.00 0.00 C ATOM 1538 CD1 TYR A 103 -8.737 7.276 -3.079 1.00 0.00 C ATOM 1539 CD2 TYR A 103 -6.690 8.359 -3.792 1.00 0.00 C ATOM 1540 CE1 TYR A 103 -9.418 8.504 -3.160 1.00 0.00 C ATOM 1541 CE2 TYR A 103 -7.339 9.597 -3.808 1.00 0.00 C ATOM 1542 CZ TYR A 103 -8.722 9.671 -3.544 1.00 0.00 C ATOM 1543 OH TYR A 103 -9.365 10.864 -3.660 1.00 0.00 O ATOM 0 H TYR A 103 -7.626 3.364 -2.697 1.00 0.00 H new ATOM 0 HA TYR A 103 -7.474 4.999 -5.124 1.00 0.00 H new ATOM 0 HB2 TYR A 103 -6.589 5.582 -2.289 1.00 0.00 H new ATOM 0 HB3 TYR A 103 -5.562 6.100 -3.611 1.00 0.00 H new ATOM 0 HD1 TYR A 103 -9.262 6.394 -2.742 1.00 0.00 H new ATOM 0 HD2 TYR A 103 -5.645 8.303 -4.059 1.00 0.00 H new ATOM 0 HE1 TYR A 103 -10.472 8.554 -2.929 1.00 0.00 H new ATOM 0 HE2 TYR A 103 -6.781 10.497 -4.023 1.00 0.00 H new ATOM 0 HH TYR A 103 -8.726 11.555 -3.933 1.00 0.00 H new ATOM 1553 N ALA A 104 -5.041 4.083 -5.396 1.00 0.00 N ATOM 1554 CA ALA A 104 -3.728 3.512 -5.658 1.00 0.00 C ATOM 1555 C ALA A 104 -2.683 4.634 -5.733 1.00 0.00 C ATOM 1556 O ALA A 104 -3.026 5.818 -5.644 1.00 0.00 O ATOM 1557 CB ALA A 104 -3.810 2.704 -6.957 1.00 0.00 C ATOM 0 H ALA A 104 -5.304 4.783 -6.090 1.00 0.00 H new ATOM 0 HA ALA A 104 -3.420 2.844 -4.854 1.00 0.00 H new ATOM 0 HB1 ALA A 104 -2.836 2.265 -7.175 1.00 0.00 H new ATOM 0 HB2 ALA A 104 -4.549 1.910 -6.846 1.00 0.00 H new ATOM 0 HB3 ALA A 104 -4.104 3.361 -7.776 1.00 0.00 H new ATOM 1563 N ILE A 105 -1.411 4.268 -5.885 1.00 0.00 N ATOM 1564 CA ILE A 105 -0.274 5.174 -6.061 1.00 0.00 C ATOM 1565 C ILE A 105 0.423 4.769 -7.359 1.00 0.00 C ATOM 1566 O ILE A 105 0.731 3.592 -7.551 1.00 0.00 O ATOM 1567 CB ILE A 105 0.667 5.191 -4.816 1.00 0.00 C ATOM 1568 CG1 ILE A 105 2.138 5.476 -5.191 1.00 0.00 C ATOM 1569 CG2 ILE A 105 0.590 3.938 -3.941 1.00 0.00 C ATOM 1570 CD1 ILE A 105 3.073 5.733 -4.005 1.00 0.00 C ATOM 0 H ILE A 105 -1.131 3.287 -5.889 1.00 0.00 H new ATOM 0 HA ILE A 105 -0.609 6.208 -6.142 1.00 0.00 H new ATOM 0 HB ILE A 105 0.284 6.017 -4.216 1.00 0.00 H new ATOM 0 HG12 ILE A 105 2.522 4.629 -5.760 1.00 0.00 H new ATOM 0 HG13 ILE A 105 2.167 6.343 -5.851 1.00 0.00 H new ATOM 0 HG21 ILE A 105 1.277 4.038 -3.101 1.00 0.00 H new ATOM 0 HG22 ILE A 105 -0.427 3.818 -3.566 1.00 0.00 H new ATOM 0 HG23 ILE A 105 0.865 3.064 -4.532 1.00 0.00 H new ATOM 0 HD11 ILE A 105 4.082 5.923 -4.371 1.00 0.00 H new ATOM 0 HD12 ILE A 105 2.721 6.600 -3.446 1.00 0.00 H new ATOM 0 HD13 ILE A 105 3.082 4.860 -3.353 1.00 0.00 H new ATOM 1582 N LYS A 106 0.678 5.738 -8.244 1.00 0.00 N ATOM 1583 CA LYS A 106 1.461 5.475 -9.444 1.00 0.00 C ATOM 1584 C LYS A 106 2.900 5.198 -9.053 1.00 0.00 C ATOM 1585 O LYS A 106 3.391 5.775 -8.080 1.00 0.00 O ATOM 1586 CB LYS A 106 1.421 6.682 -10.385 1.00 0.00 C ATOM 1587 CG LYS A 106 1.581 6.213 -11.839 1.00 0.00 C ATOM 1588 CD LYS A 106 1.297 7.302 -12.873 1.00 0.00 C ATOM 1589 CE LYS A 106 2.335 8.429 -12.808 1.00 0.00 C ATOM 1590 NZ LYS A 106 2.205 9.377 -13.936 1.00 0.00 N ATOM 0 H LYS A 106 0.355 6.701 -8.149 1.00 0.00 H new ATOM 0 HA LYS A 106 1.038 4.611 -9.957 1.00 0.00 H new ATOM 0 HB2 LYS A 106 0.478 7.216 -10.267 1.00 0.00 H new ATOM 0 HB3 LYS A 106 2.217 7.381 -10.129 1.00 0.00 H new ATOM 0 HG2 LYS A 106 2.597 5.845 -11.982 1.00 0.00 H new ATOM 0 HG3 LYS A 106 0.909 5.373 -12.016 1.00 0.00 H new ATOM 0 HD2 LYS A 106 1.296 6.865 -13.871 1.00 0.00 H new ATOM 0 HD3 LYS A 106 0.302 7.713 -12.705 1.00 0.00 H new ATOM 0 HE2 LYS A 106 2.224 8.969 -11.868 1.00 0.00 H new ATOM 0 HE3 LYS A 106 3.336 7.998 -12.812 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 2.927 10.121 -13.849 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 2.337 8.869 -14.834 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 1.259 9.809 -13.919 1.00 0.00 H new ATOM 1604 N ASP A 107 3.597 4.415 -9.870 1.00 0.00 N ATOM 1605 CA ASP A 107 5.005 4.062 -9.718 1.00 0.00 C ATOM 1606 C ASP A 107 5.255 3.248 -8.434 1.00 0.00 C ATOM 1607 O ASP A 107 6.406 2.953 -8.124 1.00 0.00 O ATOM 1608 CB ASP A 107 5.926 5.302 -9.789 1.00 0.00 C ATOM 1609 CG ASP A 107 5.737 6.254 -10.968 1.00 0.00 C ATOM 1610 OD1 ASP A 107 6.380 6.042 -12.019 1.00 0.00 O ATOM 1611 OD2 ASP A 107 5.069 7.305 -10.817 1.00 0.00 O ATOM 0 H ASP A 107 3.176 3.989 -10.695 1.00 0.00 H new ATOM 0 HA ASP A 107 5.261 3.424 -10.564 1.00 0.00 H new ATOM 0 HB2 ASP A 107 5.792 5.873 -8.870 1.00 0.00 H new ATOM 0 HB3 ASP A 107 6.959 4.954 -9.800 1.00 0.00 H new ATOM 1616 N GLY A 108 4.213 2.864 -7.686 1.00 0.00 N ATOM 1617 CA GLY A 108 4.307 1.991 -6.527 1.00 0.00 C ATOM 1618 C GLY A 108 5.351 2.470 -5.528 1.00 0.00 C ATOM 1619 O GLY A 108 5.339 3.634 -5.118 1.00 0.00 O ATOM 0 H GLY A 108 3.258 3.165 -7.882 1.00 0.00 H new ATOM 0 HA2 GLY A 108 3.335 1.936 -6.036 1.00 0.00 H new ATOM 0 HA3 GLY A 108 4.556 0.982 -6.854 1.00 0.00 H new ATOM 1623 N ALA A 109 6.229 1.565 -5.103 1.00 0.00 N ATOM 1624 CA ALA A 109 7.304 1.843 -4.173 1.00 0.00 C ATOM 1625 C ALA A 109 8.597 2.099 -4.927 1.00 0.00 C ATOM 1626 O ALA A 109 9.255 3.104 -4.645 1.00 0.00 O ATOM 1627 CB ALA A 109 7.479 0.681 -3.187 1.00 0.00 C ATOM 0 H ALA A 109 6.206 0.592 -5.409 1.00 0.00 H new ATOM 0 HA ALA A 109 7.048 2.737 -3.605 1.00 0.00 H new ATOM 0 HB1 ALA A 109 8.291 0.909 -2.497 1.00 0.00 H new ATOM 0 HB2 ALA A 109 6.555 0.538 -2.626 1.00 0.00 H new ATOM 0 HB3 ALA A 109 7.715 -0.230 -3.737 1.00 0.00 H new ATOM 1633 N GLU A 110 8.967 1.171 -5.814 1.00 0.00 N ATOM 1634 CA GLU A 110 10.288 1.115 -6.430 1.00 0.00 C ATOM 1635 C GLU A 110 10.337 1.802 -7.805 1.00 0.00 C ATOM 1636 O GLU A 110 11.408 1.891 -8.415 1.00 0.00 O ATOM 1637 CB GLU A 110 10.846 -0.326 -6.481 1.00 0.00 C ATOM 1638 CG GLU A 110 11.912 -0.582 -5.397 1.00 0.00 C ATOM 1639 CD GLU A 110 12.745 -1.844 -5.653 1.00 0.00 C ATOM 1640 OE1 GLU A 110 12.232 -2.814 -6.260 1.00 0.00 O ATOM 1641 OE2 GLU A 110 13.941 -1.881 -5.279 1.00 0.00 O ATOM 0 H GLU A 110 8.344 0.427 -6.127 1.00 0.00 H new ATOM 0 HA GLU A 110 10.948 1.690 -5.780 1.00 0.00 H new ATOM 0 HB2 GLU A 110 10.027 -1.034 -6.356 1.00 0.00 H new ATOM 0 HB3 GLU A 110 11.280 -0.510 -7.464 1.00 0.00 H new ATOM 0 HG2 GLU A 110 12.578 0.279 -5.341 1.00 0.00 H new ATOM 0 HG3 GLU A 110 11.421 -0.669 -4.428 1.00 0.00 H new ATOM 1648 N GLY A 111 9.207 2.309 -8.307 1.00 0.00 N ATOM 1649 CA GLY A 111 9.145 3.017 -9.577 1.00 0.00 C ATOM 1650 C GLY A 111 9.958 4.311 -9.559 1.00 0.00 C ATOM 1651 O GLY A 111 10.334 4.813 -8.497 1.00 0.00 O ATOM 0 H GLY A 111 8.306 2.236 -7.835 1.00 0.00 H new ATOM 0 HA2 GLY A 111 9.516 2.368 -10.371 1.00 0.00 H new ATOM 0 HA3 GLY A 111 8.106 3.247 -9.812 1.00 0.00 H new ATOM 1655 N PRO A 112 10.215 4.910 -10.734 1.00 0.00 N ATOM 1656 CA PRO A 112 11.153 6.023 -10.860 1.00 0.00 C ATOM 1657 C PRO A 112 10.711 7.274 -10.107 1.00 0.00 C ATOM 1658 O PRO A 112 11.528 8.156 -9.843 1.00 0.00 O ATOM 1659 CB PRO A 112 11.298 6.285 -12.362 1.00 0.00 C ATOM 1660 CG PRO A 112 10.072 5.614 -12.981 1.00 0.00 C ATOM 1661 CD PRO A 112 9.812 4.439 -12.046 1.00 0.00 C ATOM 0 HA PRO A 112 12.107 5.762 -10.403 1.00 0.00 H new ATOM 0 HB2 PRO A 112 11.320 7.353 -12.580 1.00 0.00 H new ATOM 0 HB3 PRO A 112 12.223 5.861 -12.752 1.00 0.00 H new ATOM 0 HG2 PRO A 112 9.220 6.292 -13.023 1.00 0.00 H new ATOM 0 HG3 PRO A 112 10.266 5.282 -14.001 1.00 0.00 H new ATOM 0 HD2 PRO A 112 8.761 4.151 -12.057 1.00 0.00 H new ATOM 0 HD3 PRO A 112 10.386 3.562 -12.345 1.00 0.00 H new ATOM 1669 N ARG A 113 9.427 7.365 -9.761 1.00 0.00 N ATOM 1670 CA ARG A 113 8.841 8.444 -8.978 1.00 0.00 C ATOM 1671 C ARG A 113 7.873 7.883 -7.933 1.00 0.00 C ATOM 1672 O ARG A 113 6.972 8.609 -7.513 1.00 0.00 O ATOM 1673 CB ARG A 113 8.183 9.446 -9.947 1.00 0.00 C ATOM 1674 CG ARG A 113 9.174 10.284 -10.775 1.00 0.00 C ATOM 1675 CD ARG A 113 9.886 11.297 -9.872 1.00 0.00 C ATOM 1676 NE ARG A 113 11.068 11.900 -10.492 1.00 0.00 N ATOM 1677 CZ ARG A 113 12.084 12.457 -9.822 1.00 0.00 C ATOM 1678 NH1 ARG A 113 12.048 12.590 -8.498 1.00 0.00 N ATOM 1679 NH2 ARG A 113 13.139 12.871 -10.506 1.00 0.00 N ATOM 0 H ARG A 113 8.742 6.659 -10.031 1.00 0.00 H new ATOM 0 HA ARG A 113 9.607 8.977 -8.414 1.00 0.00 H new ATOM 0 HB2 ARG A 113 7.533 8.898 -10.629 1.00 0.00 H new ATOM 0 HB3 ARG A 113 7.547 10.121 -9.374 1.00 0.00 H new ATOM 0 HG2 ARG A 113 9.906 9.631 -11.251 1.00 0.00 H new ATOM 0 HG3 ARG A 113 8.645 10.805 -11.573 1.00 0.00 H new ATOM 0 HD2 ARG A 113 9.185 12.086 -9.601 1.00 0.00 H new ATOM 0 HD3 ARG A 113 10.183 10.802 -8.947 1.00 0.00 H new ATOM 0 HE ARG A 113 11.121 11.895 -11.511 1.00 0.00 H new ATOM 0 HH11 ARG A 113 11.235 12.264 -7.975 1.00 0.00 H new ATOM 0 HH12 ARG A 113 12.833 13.017 -8.007 1.00 0.00 H new ATOM 0 HH21 ARG A 113 13.164 12.762 -11.520 1.00 0.00 H new ATOM 0 HH22 ARG A 113 13.927 13.299 -10.019 1.00 0.00 H new ATOM 1693 N GLY A 114 8.018 6.602 -7.572 1.00 0.00 N ATOM 1694 CA GLY A 114 7.177 5.931 -6.590 1.00 0.00 C ATOM 1695 C GLY A 114 7.528 6.401 -5.184 1.00 0.00 C ATOM 1696 O GLY A 114 8.267 7.369 -5.002 1.00 0.00 O ATOM 0 H GLY A 114 8.739 5.997 -7.965 1.00 0.00 H new ATOM 0 HA2 GLY A 114 6.127 6.138 -6.798 1.00 0.00 H new ATOM 0 HA3 GLY A 114 7.310 4.852 -6.664 1.00 0.00 H new ATOM 1700 N TRP A 115 6.981 5.721 -4.178 1.00 0.00 N ATOM 1701 CA TRP A 115 7.085 6.064 -2.766 1.00 0.00 C ATOM 1702 C TRP A 115 8.525 6.385 -2.361 1.00 0.00 C ATOM 1703 O TRP A 115 8.768 7.430 -1.750 1.00 0.00 O ATOM 1704 CB TRP A 115 6.534 4.907 -1.921 1.00 0.00 C ATOM 1705 CG TRP A 115 6.298 5.199 -0.472 1.00 0.00 C ATOM 1706 CD1 TRP A 115 7.253 5.361 0.472 1.00 0.00 C ATOM 1707 CD2 TRP A 115 5.028 5.321 0.226 1.00 0.00 C ATOM 1708 NE1 TRP A 115 6.666 5.573 1.703 1.00 0.00 N ATOM 1709 CE2 TRP A 115 5.289 5.593 1.601 1.00 0.00 C ATOM 1710 CE3 TRP A 115 3.678 5.215 -0.169 1.00 0.00 C ATOM 1711 CZ2 TRP A 115 4.255 5.794 2.526 1.00 0.00 C ATOM 1712 CZ3 TRP A 115 2.636 5.364 0.764 1.00 0.00 C ATOM 1713 CH2 TRP A 115 2.922 5.668 2.104 1.00 0.00 C ATOM 0 H TRP A 115 6.429 4.878 -4.335 1.00 0.00 H new ATOM 0 HA TRP A 115 6.495 6.963 -2.588 1.00 0.00 H new ATOM 0 HB2 TRP A 115 5.593 4.579 -2.362 1.00 0.00 H new ATOM 0 HB3 TRP A 115 7.228 4.070 -1.993 1.00 0.00 H new ATOM 0 HD1 TRP A 115 8.317 5.329 0.290 1.00 0.00 H new ATOM 0 HE1 TRP A 115 7.182 5.698 2.574 1.00 0.00 H new ATOM 0 HE3 TRP A 115 3.441 5.016 -1.204 1.00 0.00 H new ATOM 0 HZ2 TRP A 115 4.481 6.043 3.552 1.00 0.00 H new ATOM 0 HZ3 TRP A 115 1.610 5.244 0.448 1.00 0.00 H new ATOM 0 HH2 TRP A 115 2.117 5.805 2.810 1.00 0.00 H new ATOM 1724 N LEU A 116 9.469 5.485 -2.662 1.00 0.00 N ATOM 1725 CA LEU A 116 10.867 5.665 -2.286 1.00 0.00 C ATOM 1726 C LEU A 116 11.391 6.960 -2.894 1.00 0.00 C ATOM 1727 O LEU A 116 12.033 7.756 -2.207 1.00 0.00 O ATOM 1728 CB LEU A 116 11.719 4.473 -2.758 1.00 0.00 C ATOM 1729 CG LEU A 116 11.497 3.182 -1.948 1.00 0.00 C ATOM 1730 CD1 LEU A 116 12.176 2.007 -2.652 1.00 0.00 C ATOM 1731 CD2 LEU A 116 12.063 3.308 -0.528 1.00 0.00 C ATOM 0 H LEU A 116 9.283 4.620 -3.169 1.00 0.00 H new ATOM 0 HA LEU A 116 10.936 5.719 -1.199 1.00 0.00 H new ATOM 0 HB2 LEU A 116 11.497 4.274 -3.806 1.00 0.00 H new ATOM 0 HB3 LEU A 116 12.772 4.748 -2.702 1.00 0.00 H new ATOM 0 HG LEU A 116 10.423 3.012 -1.880 1.00 0.00 H new ATOM 0 HD11 LEU A 116 12.016 1.096 -2.075 1.00 0.00 H new ATOM 0 HD12 LEU A 116 11.751 1.885 -3.648 1.00 0.00 H new ATOM 0 HD13 LEU A 116 13.245 2.201 -2.735 1.00 0.00 H new ATOM 0 HD21 LEU A 116 11.890 2.380 0.016 1.00 0.00 H new ATOM 0 HD22 LEU A 116 13.134 3.504 -0.579 1.00 0.00 H new ATOM 0 HD23 LEU A 116 11.568 4.130 -0.011 1.00 0.00 H new ATOM 1743 N ASN A 117 11.098 7.192 -4.170 1.00 0.00 N ATOM 1744 CA ASN A 117 11.560 8.319 -4.971 1.00 0.00 C ATOM 1745 C ASN A 117 10.661 9.555 -4.769 1.00 0.00 C ATOM 1746 O ASN A 117 10.430 10.317 -5.712 1.00 0.00 O ATOM 1747 CB ASN A 117 11.645 7.900 -6.455 1.00 0.00 C ATOM 1748 CG ASN A 117 12.630 6.762 -6.715 1.00 0.00 C ATOM 1749 OD1 ASN A 117 12.483 5.666 -6.182 1.00 0.00 O ATOM 1750 ND2 ASN A 117 13.652 6.962 -7.527 1.00 0.00 N ATOM 0 H ASN A 117 10.498 6.562 -4.702 1.00 0.00 H new ATOM 0 HA ASN A 117 12.558 8.606 -4.640 1.00 0.00 H new ATOM 0 HB2 ASN A 117 10.655 7.597 -6.795 1.00 0.00 H new ATOM 0 HB3 ASN A 117 11.936 8.765 -7.052 1.00 0.00 H new ATOM 0 HD21 ASN A 117 14.314 6.208 -7.709 1.00 0.00 H new ATOM 0 HD22 ASN A 117 13.779 7.871 -7.973 1.00 0.00 H new ATOM 1757 N SER A 118 10.111 9.762 -3.565 1.00 0.00 N ATOM 1758 CA SER A 118 9.120 10.801 -3.280 1.00 0.00 C ATOM 1759 C SER A 118 9.333 11.482 -1.913 1.00 0.00 C ATOM 1760 O SER A 118 8.432 12.176 -1.437 1.00 0.00 O ATOM 1761 CB SER A 118 7.723 10.180 -3.448 1.00 0.00 C ATOM 1762 OG SER A 118 6.679 11.137 -3.491 1.00 0.00 O ATOM 0 H SER A 118 10.349 9.200 -2.748 1.00 0.00 H new ATOM 0 HA SER A 118 9.234 11.620 -3.990 1.00 0.00 H new ATOM 0 HB2 SER A 118 7.704 9.592 -4.366 1.00 0.00 H new ATOM 0 HB3 SER A 118 7.539 9.491 -2.624 1.00 0.00 H new ATOM 0 HG SER A 118 5.859 10.743 -3.128 1.00 0.00 H new ATOM 1768 N SER A 119 10.496 11.321 -1.263 1.00 0.00 N ATOM 1769 CA SER A 119 10.803 11.932 0.042 1.00 0.00 C ATOM 1770 C SER A 119 9.956 11.332 1.182 1.00 0.00 C ATOM 1771 O SER A 119 9.933 11.851 2.306 1.00 0.00 O ATOM 1772 CB SER A 119 10.666 13.462 -0.059 1.00 0.00 C ATOM 1773 OG SER A 119 11.490 14.142 0.859 1.00 0.00 O ATOM 0 H SER A 119 11.260 10.756 -1.633 1.00 0.00 H new ATOM 0 HA SER A 119 11.836 11.700 0.301 1.00 0.00 H new ATOM 0 HB2 SER A 119 10.917 13.779 -1.071 1.00 0.00 H new ATOM 0 HB3 SER A 119 9.627 13.742 0.114 1.00 0.00 H new ATOM 0 HG SER A 119 11.368 15.109 0.754 1.00 0.00 H new ATOM 1779 N LEU A 120 9.218 10.258 0.890 1.00 0.00 N ATOM 1780 CA LEU A 120 8.328 9.589 1.818 1.00 0.00 C ATOM 1781 C LEU A 120 9.116 8.655 2.738 1.00 0.00 C ATOM 1782 O LEU A 120 10.210 8.206 2.379 1.00 0.00 O ATOM 1783 CB LEU A 120 7.255 8.828 1.027 1.00 0.00 C ATOM 1784 CG LEU A 120 6.303 9.740 0.237 1.00 0.00 C ATOM 1785 CD1 LEU A 120 5.215 8.885 -0.411 1.00 0.00 C ATOM 1786 CD2 LEU A 120 5.676 10.803 1.148 1.00 0.00 C ATOM 0 H LEU A 120 9.230 9.822 -0.032 1.00 0.00 H new ATOM 0 HA LEU A 120 7.836 10.327 2.452 1.00 0.00 H new ATOM 0 HB2 LEU A 120 7.745 8.143 0.335 1.00 0.00 H new ATOM 0 HB3 LEU A 120 6.671 8.220 1.718 1.00 0.00 H new ATOM 0 HG LEU A 120 6.870 10.260 -0.536 1.00 0.00 H new ATOM 0 HD11 LEU A 120 4.536 9.526 -0.973 1.00 0.00 H new ATOM 0 HD12 LEU A 120 5.674 8.162 -1.085 1.00 0.00 H new ATOM 0 HD13 LEU A 120 4.658 8.357 0.363 1.00 0.00 H new ATOM 0 HD21 LEU A 120 5.007 11.434 0.563 1.00 0.00 H new ATOM 0 HD22 LEU A 120 5.112 10.314 1.942 1.00 0.00 H new ATOM 0 HD23 LEU A 120 6.463 11.417 1.586 1.00 0.00 H new ATOM 1798 N PRO A 121 8.571 8.360 3.928 1.00 0.00 N ATOM 1799 CA PRO A 121 9.283 7.624 4.961 1.00 0.00 C ATOM 1800 C PRO A 121 9.301 6.121 4.671 1.00 0.00 C ATOM 1801 O PRO A 121 8.348 5.570 4.100 1.00 0.00 O ATOM 1802 CB PRO A 121 8.510 7.950 6.238 1.00 0.00 C ATOM 1803 CG PRO A 121 7.073 8.131 5.752 1.00 0.00 C ATOM 1804 CD PRO A 121 7.291 8.846 4.431 1.00 0.00 C ATOM 0 HA PRO A 121 10.334 7.904 5.029 1.00 0.00 H new ATOM 0 HB2 PRO A 121 8.587 7.146 6.970 1.00 0.00 H new ATOM 0 HB3 PRO A 121 8.888 8.854 6.716 1.00 0.00 H new ATOM 0 HG2 PRO A 121 6.560 7.178 5.623 1.00 0.00 H new ATOM 0 HG3 PRO A 121 6.476 8.723 6.446 1.00 0.00 H new ATOM 0 HD2 PRO A 121 6.486 8.627 3.730 1.00 0.00 H new ATOM 0 HD3 PRO A 121 7.309 9.927 4.569 1.00 0.00 H new ATOM 1812 N TRP A 122 10.350 5.434 5.130 1.00 0.00 N ATOM 1813 CA TRP A 122 10.549 4.010 4.891 1.00 0.00 C ATOM 1814 C TRP A 122 10.983 3.293 6.167 1.00 0.00 C ATOM 1815 O TRP A 122 11.408 3.934 7.129 1.00 0.00 O ATOM 1816 CB TRP A 122 11.576 3.823 3.769 1.00 0.00 C ATOM 1817 CG TRP A 122 11.420 2.516 3.070 1.00 0.00 C ATOM 1818 CD1 TRP A 122 12.282 1.478 3.101 1.00 0.00 C ATOM 1819 CD2 TRP A 122 10.309 2.100 2.227 1.00 0.00 C ATOM 1820 NE1 TRP A 122 11.768 0.439 2.342 1.00 0.00 N ATOM 1821 CE2 TRP A 122 10.530 0.757 1.816 1.00 0.00 C ATOM 1822 CE3 TRP A 122 9.143 2.740 1.758 1.00 0.00 C ATOM 1823 CZ2 TRP A 122 9.606 0.075 1.011 1.00 0.00 C ATOM 1824 CZ3 TRP A 122 8.230 2.073 0.921 1.00 0.00 C ATOM 1825 CH2 TRP A 122 8.457 0.738 0.555 1.00 0.00 C ATOM 0 H TRP A 122 11.092 5.860 5.685 1.00 0.00 H new ATOM 0 HA TRP A 122 9.603 3.565 4.582 1.00 0.00 H new ATOM 0 HB2 TRP A 122 11.473 4.633 3.047 1.00 0.00 H new ATOM 0 HB3 TRP A 122 12.581 3.892 4.185 1.00 0.00 H new ATOM 0 HD1 TRP A 122 13.222 1.460 3.632 1.00 0.00 H new ATOM 0 HE1 TRP A 122 12.244 -0.450 2.190 1.00 0.00 H new ATOM 0 HE3 TRP A 122 8.947 3.762 2.047 1.00 0.00 H new ATOM 0 HZ2 TRP A 122 9.778 -0.957 0.743 1.00 0.00 H new ATOM 0 HZ3 TRP A 122 7.353 2.590 0.560 1.00 0.00 H new ATOM 0 HH2 TRP A 122 7.749 0.222 -0.076 1.00 0.00 H new ATOM 1836 N ILE A 123 10.903 1.965 6.177 1.00 0.00 N ATOM 1837 CA ILE A 123 11.336 1.115 7.279 1.00 0.00 C ATOM 1838 C ILE A 123 12.606 0.388 6.886 1.00 0.00 C ATOM 1839 O ILE A 123 13.544 0.426 7.676 1.00 0.00 O ATOM 1840 CB ILE A 123 10.220 0.150 7.750 1.00 0.00 C ATOM 1841 CG1 ILE A 123 8.956 0.921 8.161 1.00 0.00 C ATOM 1842 CG2 ILE A 123 10.724 -0.715 8.912 1.00 0.00 C ATOM 1843 CD1 ILE A 123 7.787 0.048 8.615 1.00 0.00 C ATOM 0 H ILE A 123 10.523 1.435 5.393 1.00 0.00 H new ATOM 0 HA ILE A 123 11.554 1.745 8.141 1.00 0.00 H new ATOM 0 HB ILE A 123 9.958 -0.500 6.915 1.00 0.00 H new ATOM 0 HG12 ILE A 123 9.213 1.607 8.968 1.00 0.00 H new ATOM 0 HG13 ILE A 123 8.629 1.530 7.318 1.00 0.00 H new ATOM 0 HG21 ILE A 123 9.931 -1.389 9.234 1.00 0.00 H new ATOM 0 HG22 ILE A 123 11.585 -1.298 8.585 1.00 0.00 H new ATOM 0 HG23 ILE A 123 11.015 -0.073 9.744 1.00 0.00 H new ATOM 0 HD11 ILE A 123 6.942 0.682 8.884 1.00 0.00 H new ATOM 0 HD12 ILE A 123 7.495 -0.620 7.804 1.00 0.00 H new ATOM 0 HD13 ILE A 123 8.088 -0.542 9.481 1.00 0.00 H new ATOM 1855 N GLU A 124 12.636 -0.216 5.692 1.00 0.00 N ATOM 1856 CA GLU A 124 13.739 -1.029 5.169 1.00 0.00 C ATOM 1857 C GLU A 124 13.925 -2.341 5.969 1.00 0.00 C ATOM 1858 O GLU A 124 13.374 -2.482 7.068 1.00 0.00 O ATOM 1859 CB GLU A 124 14.962 -0.133 4.921 1.00 0.00 C ATOM 1860 CG GLU A 124 15.918 0.091 6.061 1.00 0.00 C ATOM 1861 CD GLU A 124 17.374 -0.065 5.648 1.00 0.00 C ATOM 1862 OE1 GLU A 124 17.810 -1.180 5.297 1.00 0.00 O ATOM 1863 OE2 GLU A 124 18.088 0.963 5.643 1.00 0.00 O ATOM 0 H GLU A 124 11.858 -0.148 5.036 1.00 0.00 H new ATOM 0 HA GLU A 124 13.511 -1.431 4.182 1.00 0.00 H new ATOM 0 HB2 GLU A 124 15.526 -0.560 4.092 1.00 0.00 H new ATOM 0 HB3 GLU A 124 14.601 0.841 4.592 1.00 0.00 H new ATOM 0 HG2 GLU A 124 15.765 1.091 6.466 1.00 0.00 H new ATOM 0 HG3 GLU A 124 15.694 -0.615 6.861 1.00 0.00 H new ATOM 1870 N PRO A 125 14.671 -3.334 5.458 1.00 0.00 N ATOM 1871 CA PRO A 125 15.154 -4.460 6.256 1.00 0.00 C ATOM 1872 C PRO A 125 16.190 -4.004 7.311 1.00 0.00 C ATOM 1873 O PRO A 125 16.214 -2.848 7.742 1.00 0.00 O ATOM 1874 CB PRO A 125 15.689 -5.448 5.216 1.00 0.00 C ATOM 1875 CG PRO A 125 16.276 -4.529 4.156 1.00 0.00 C ATOM 1876 CD PRO A 125 15.338 -3.330 4.163 1.00 0.00 C ATOM 0 HA PRO A 125 14.382 -4.930 6.865 1.00 0.00 H new ATOM 0 HB2 PRO A 125 16.443 -6.113 5.638 1.00 0.00 H new ATOM 0 HB3 PRO A 125 14.898 -6.079 4.812 1.00 0.00 H new ATOM 0 HG2 PRO A 125 17.299 -4.240 4.398 1.00 0.00 H new ATOM 0 HG3 PRO A 125 16.304 -5.011 3.179 1.00 0.00 H new ATOM 0 HD2 PRO A 125 15.892 -2.403 4.015 1.00 0.00 H new ATOM 0 HD3 PRO A 125 14.612 -3.400 3.353 1.00 0.00 H new