USER MOD reduce.3.24.130724 H: found=0, std=0, add=561, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 562 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 39 ASN : amide:sc= 0.976 K(o=2.2,f=-2.5) USER MOD Set 1.2: A 41 SER OG : rot 96:sc= 1.23 USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 8 ASN : amide:sc=-0.00296 X(o=-0.003,f=0) USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 THR OG1 : rot 180:sc= 0.222 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 ASN : amide:sc= -0.2 X(o=-0.2,f=-0.28) USER MOD Single : A 21 LYS NZ :NH3+ 171:sc= 1.23 (180deg=1.15) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 GLN : amide:sc= 1.04 K(o=1,f=-0.81) USER MOD Single : A 26 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 34 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 36 GLN : amide:sc= 0 K(o=0,f=-0.72) USER MOD Single : A 38 LYS NZ :NH3+ -150:sc= 1.27 (180deg=1.05) USER MOD Single : A 40 THR OG1 : rot -0:sc= 1.12 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 THR OG1 : rot 74:sc= 1.03 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 THR OG1 : rot 106:sc= 1.29 USER MOD ----------------------------------------------------------------- ATOM 40 N ALA A 3 11.772 4.932 3.845 1.00 0.00 N ATOM 41 CA ALA A 3 10.837 4.432 4.831 1.00 0.00 C ATOM 42 C ALA A 3 11.129 5.034 6.201 1.00 0.00 C ATOM 43 O ALA A 3 10.301 5.735 6.772 1.00 0.00 O ATOM 44 CB ALA A 3 10.911 2.899 4.845 1.00 0.00 C ATOM 0 HA ALA A 3 9.821 4.729 4.571 1.00 0.00 H new ATOM 0 HB1 ALA A 3 10.211 2.508 5.584 1.00 0.00 H new ATOM 0 HB2 ALA A 3 10.651 2.513 3.859 1.00 0.00 H new ATOM 0 HB3 ALA A 3 11.923 2.586 5.102 1.00 0.00 H new ATOM 50 N SER A 4 12.244 4.595 6.784 1.00 0.00 N ATOM 51 CA SER A 4 12.379 4.046 8.128 1.00 0.00 C ATOM 52 C SER A 4 11.258 3.054 8.404 1.00 0.00 C ATOM 53 O SER A 4 11.485 1.854 8.483 1.00 0.00 O ATOM 54 CB SER A 4 12.477 5.141 9.203 1.00 0.00 C ATOM 55 OG SER A 4 13.739 5.778 9.157 1.00 0.00 O ATOM 0 H SER A 4 13.138 4.616 6.293 1.00 0.00 H new ATOM 0 HA SER A 4 13.325 3.506 8.179 1.00 0.00 H new ATOM 0 HB2 SER A 4 11.687 5.877 9.052 1.00 0.00 H new ATOM 0 HB3 SER A 4 12.321 4.704 10.189 1.00 0.00 H new ATOM 0 HG SER A 4 13.780 6.472 9.847 1.00 0.00 H new ATOM 61 N GLU A 5 10.044 3.563 8.486 1.00 0.00 N ATOM 62 CA GLU A 5 8.911 2.945 9.181 1.00 0.00 C ATOM 63 C GLU A 5 8.490 1.636 8.501 1.00 0.00 C ATOM 64 O GLU A 5 8.320 0.601 9.129 1.00 0.00 O ATOM 65 CB GLU A 5 7.768 3.967 9.314 1.00 0.00 C ATOM 66 CG GLU A 5 7.048 4.269 7.990 1.00 0.00 C ATOM 67 CD GLU A 5 6.134 5.493 8.004 1.00 0.00 C ATOM 68 OE1 GLU A 5 6.306 6.388 8.868 1.00 0.00 O ATOM 69 OE2 GLU A 5 5.298 5.580 7.070 1.00 0.00 O ATOM 0 H GLU A 5 9.801 4.455 8.055 1.00 0.00 H new ATOM 0 HA GLU A 5 9.208 2.663 10.191 1.00 0.00 H new ATOM 0 HB2 GLU A 5 7.041 3.593 10.035 1.00 0.00 H new ATOM 0 HB3 GLU A 5 8.169 4.896 9.719 1.00 0.00 H new ATOM 0 HG2 GLU A 5 7.798 4.406 7.211 1.00 0.00 H new ATOM 0 HG3 GLU A 5 6.455 3.398 7.712 1.00 0.00 H new ATOM 76 N LEU A 6 8.409 1.656 7.176 1.00 0.00 N ATOM 77 CA LEU A 6 8.051 0.524 6.323 1.00 0.00 C ATOM 78 C LEU A 6 9.199 -0.480 6.188 1.00 0.00 C ATOM 79 O LEU A 6 9.015 -1.551 5.617 1.00 0.00 O ATOM 80 CB LEU A 6 7.678 1.095 4.940 1.00 0.00 C ATOM 81 CG LEU A 6 6.184 1.194 4.581 1.00 0.00 C ATOM 82 CD1 LEU A 6 5.247 1.770 5.642 1.00 0.00 C ATOM 83 CD2 LEU A 6 6.062 2.103 3.351 1.00 0.00 C ATOM 0 H LEU A 6 8.600 2.502 6.639 1.00 0.00 H new ATOM 0 HA LEU A 6 7.217 -0.018 6.768 1.00 0.00 H new ATOM 0 HB2 LEU A 6 8.107 2.094 4.864 1.00 0.00 H new ATOM 0 HB3 LEU A 6 8.164 0.481 4.182 1.00 0.00 H new ATOM 0 HG LEU A 6 5.867 0.161 4.437 1.00 0.00 H new ATOM 0 HD11 LEU A 6 4.227 1.782 5.258 1.00 0.00 H new ATOM 0 HD12 LEU A 6 5.290 1.153 6.539 1.00 0.00 H new ATOM 0 HD13 LEU A 6 5.555 2.787 5.886 1.00 0.00 H new ATOM 0 HD21 LEU A 6 5.013 2.195 3.069 1.00 0.00 H new ATOM 0 HD22 LEU A 6 6.462 3.089 3.586 1.00 0.00 H new ATOM 0 HD23 LEU A 6 6.624 1.672 2.523 1.00 0.00 H new ATOM 95 N ARG A 7 10.400 -0.154 6.666 1.00 0.00 N ATOM 96 CA ARG A 7 11.490 -1.080 6.840 1.00 0.00 C ATOM 97 C ARG A 7 11.608 -1.540 8.297 1.00 0.00 C ATOM 98 O ARG A 7 12.454 -2.379 8.598 1.00 0.00 O ATOM 99 CB ARG A 7 12.746 -0.358 6.328 1.00 0.00 C ATOM 100 CG ARG A 7 13.865 -1.343 6.025 1.00 0.00 C ATOM 101 CD ARG A 7 15.031 -1.215 7.008 1.00 0.00 C ATOM 102 NE ARG A 7 16.001 -2.297 6.824 1.00 0.00 N ATOM 103 CZ ARG A 7 16.840 -2.779 7.742 1.00 0.00 C ATOM 104 NH1 ARG A 7 16.895 -2.226 8.952 1.00 0.00 N ATOM 105 NH2 ARG A 7 17.603 -3.821 7.428 1.00 0.00 N ATOM 0 H ARG A 7 10.636 0.797 6.949 1.00 0.00 H new ATOM 0 HA ARG A 7 11.334 -2.000 6.277 1.00 0.00 H new ATOM 0 HB2 ARG A 7 12.502 0.207 5.428 1.00 0.00 H new ATOM 0 HB3 ARG A 7 13.084 0.361 7.074 1.00 0.00 H new ATOM 0 HG2 ARG A 7 13.472 -2.359 6.061 1.00 0.00 H new ATOM 0 HG3 ARG A 7 14.228 -1.177 5.011 1.00 0.00 H new ATOM 0 HD2 ARG A 7 15.524 -0.253 6.868 1.00 0.00 H new ATOM 0 HD3 ARG A 7 14.652 -1.233 8.030 1.00 0.00 H new ATOM 0 HE ARG A 7 16.039 -2.726 5.899 1.00 0.00 H new ATOM 0 HH11 ARG A 7 16.295 -1.433 9.178 1.00 0.00 H new ATOM 0 HH12 ARG A 7 17.537 -2.596 9.653 1.00 0.00 H new ATOM 0 HH21 ARG A 7 17.541 -4.237 6.499 1.00 0.00 H new ATOM 0 HH22 ARG A 7 18.251 -4.204 8.116 1.00 0.00 H new ATOM 119 N ASN A 8 10.799 -0.967 9.188 1.00 0.00 N ATOM 120 CA ASN A 8 10.997 -1.053 10.634 1.00 0.00 C ATOM 121 C ASN A 8 10.312 -2.258 11.261 1.00 0.00 C ATOM 122 O ASN A 8 10.720 -2.692 12.334 1.00 0.00 O ATOM 123 CB ASN A 8 10.458 0.212 11.317 1.00 0.00 C ATOM 124 CG ASN A 8 11.107 0.439 12.670 1.00 0.00 C ATOM 125 OD1 ASN A 8 12.068 1.200 12.755 1.00 0.00 O ATOM 126 ND2 ASN A 8 10.584 -0.124 13.747 1.00 0.00 N ATOM 0 H ASN A 8 9.978 -0.424 8.922 1.00 0.00 H new ATOM 0 HA ASN A 8 12.071 -1.157 10.785 1.00 0.00 H new ATOM 0 HB2 ASN A 8 10.638 1.076 10.677 1.00 0.00 H new ATOM 0 HB3 ASN A 8 9.378 0.127 11.441 1.00 0.00 H new ATOM 0 HD21 ASN A 8 10.979 0.071 14.667 1.00 0.00 H new ATOM 0 HD22 ASN A 8 9.786 -0.753 13.657 1.00 0.00 H new ATOM 133 N TYR A 9 9.227 -2.736 10.659 1.00 0.00 N ATOM 134 CA TYR A 9 8.469 -3.868 11.147 1.00 0.00 C ATOM 135 C TYR A 9 9.175 -5.166 10.686 1.00 0.00 C ATOM 136 O TYR A 9 10.147 -5.106 9.921 1.00 0.00 O ATOM 137 CB TYR A 9 7.045 -3.672 10.601 1.00 0.00 C ATOM 138 CG TYR A 9 6.224 -2.553 11.189 1.00 0.00 C ATOM 139 CD1 TYR A 9 5.517 -2.711 12.393 1.00 0.00 C ATOM 140 CD2 TYR A 9 6.079 -1.380 10.430 1.00 0.00 C ATOM 141 CE1 TYR A 9 4.635 -1.697 12.826 1.00 0.00 C ATOM 142 CE2 TYR A 9 5.207 -0.367 10.848 1.00 0.00 C ATOM 143 CZ TYR A 9 4.465 -0.530 12.040 1.00 0.00 C ATOM 144 OH TYR A 9 3.623 0.470 12.415 1.00 0.00 O ATOM 0 H TYR A 9 8.848 -2.334 9.801 1.00 0.00 H new ATOM 0 HA TYR A 9 8.410 -3.946 12.233 1.00 0.00 H new ATOM 0 HB2 TYR A 9 7.116 -3.508 9.526 1.00 0.00 H new ATOM 0 HB3 TYR A 9 6.498 -4.603 10.746 1.00 0.00 H new ATOM 0 HD1 TYR A 9 5.648 -3.605 12.985 1.00 0.00 H new ATOM 0 HD2 TYR A 9 6.644 -1.258 9.518 1.00 0.00 H new ATOM 0 HE1 TYR A 9 4.092 -1.810 13.753 1.00 0.00 H new ATOM 0 HE2 TYR A 9 5.102 0.534 10.262 1.00 0.00 H new ATOM 0 HH TYR A 9 3.645 1.185 11.745 1.00 0.00 H new ATOM 154 N THR A 10 8.715 -6.345 11.109 1.00 0.00 N ATOM 155 CA THR A 10 9.185 -7.620 10.561 1.00 0.00 C ATOM 156 C THR A 10 8.510 -7.833 9.209 1.00 0.00 C ATOM 157 O THR A 10 7.443 -7.287 9.003 1.00 0.00 O ATOM 158 CB THR A 10 8.823 -8.782 11.496 1.00 0.00 C ATOM 159 OG1 THR A 10 7.427 -9.033 11.529 1.00 0.00 O ATOM 160 CG2 THR A 10 9.257 -8.536 12.946 1.00 0.00 C ATOM 0 H THR A 10 8.009 -6.444 11.838 1.00 0.00 H new ATOM 0 HA THR A 10 10.269 -7.591 10.455 1.00 0.00 H new ATOM 0 HB THR A 10 9.359 -9.636 11.081 1.00 0.00 H new ATOM 0 HG1 THR A 10 7.243 -9.781 12.135 1.00 0.00 H new ATOM 0 HG21 THR A 10 8.975 -9.391 13.560 1.00 0.00 H new ATOM 0 HG22 THR A 10 10.338 -8.403 12.985 1.00 0.00 H new ATOM 0 HG23 THR A 10 8.767 -7.639 13.325 1.00 0.00 H new ATOM 168 N ASP A 11 9.043 -8.644 8.295 1.00 0.00 N ATOM 169 CA ASP A 11 8.424 -9.162 7.084 1.00 0.00 C ATOM 170 C ASP A 11 6.966 -9.553 7.263 1.00 0.00 C ATOM 171 O ASP A 11 6.185 -9.437 6.317 1.00 0.00 O ATOM 172 CB ASP A 11 9.229 -10.352 6.561 1.00 0.00 C ATOM 173 CG ASP A 11 10.461 -9.905 5.779 1.00 0.00 C ATOM 174 OD1 ASP A 11 11.469 -9.541 6.424 1.00 0.00 O ATOM 175 OD2 ASP A 11 10.393 -9.838 4.527 1.00 0.00 O ATOM 0 H ASP A 11 10.000 -8.981 8.396 1.00 0.00 H new ATOM 0 HA ASP A 11 8.433 -8.350 6.357 1.00 0.00 H new ATOM 0 HB2 ASP A 11 9.538 -10.978 7.398 1.00 0.00 H new ATOM 0 HB3 ASP A 11 8.595 -10.966 5.921 1.00 0.00 H new ATOM 180 N GLU A 12 6.594 -10.034 8.445 1.00 0.00 N ATOM 181 CA GLU A 12 5.238 -10.462 8.726 1.00 0.00 C ATOM 182 C GLU A 12 4.318 -9.355 9.235 1.00 0.00 C ATOM 183 O GLU A 12 3.121 -9.383 8.957 1.00 0.00 O ATOM 184 CB GLU A 12 5.254 -11.632 9.698 1.00 0.00 C ATOM 185 CG GLU A 12 5.406 -12.927 8.898 1.00 0.00 C ATOM 186 CD GLU A 12 5.829 -14.065 9.806 1.00 0.00 C ATOM 187 OE1 GLU A 12 4.977 -14.532 10.599 1.00 0.00 O ATOM 188 OE2 GLU A 12 7.037 -14.396 9.777 1.00 0.00 O ATOM 0 H GLU A 12 7.231 -10.136 9.235 1.00 0.00 H new ATOM 0 HA GLU A 12 4.816 -10.771 7.770 1.00 0.00 H new ATOM 0 HB2 GLU A 12 6.076 -11.525 10.405 1.00 0.00 H new ATOM 0 HB3 GLU A 12 4.333 -11.653 10.281 1.00 0.00 H new ATOM 0 HG2 GLU A 12 4.462 -13.174 8.411 1.00 0.00 H new ATOM 0 HG3 GLU A 12 6.145 -12.789 8.109 1.00 0.00 H new ATOM 195 N GLU A 13 4.855 -8.359 9.930 1.00 0.00 N ATOM 196 CA GLU A 13 4.152 -7.118 10.239 1.00 0.00 C ATOM 197 C GLU A 13 4.092 -6.231 8.979 1.00 0.00 C ATOM 198 O GLU A 13 3.080 -5.598 8.698 1.00 0.00 O ATOM 199 CB GLU A 13 4.912 -6.448 11.383 1.00 0.00 C ATOM 200 CG GLU A 13 4.638 -7.116 12.731 1.00 0.00 C ATOM 201 CD GLU A 13 3.288 -6.733 13.336 1.00 0.00 C ATOM 202 OE1 GLU A 13 3.191 -5.631 13.923 1.00 0.00 O ATOM 203 OE2 GLU A 13 2.346 -7.559 13.266 1.00 0.00 O ATOM 0 H GLU A 13 5.805 -8.391 10.300 1.00 0.00 H new ATOM 0 HA GLU A 13 3.122 -7.297 10.546 1.00 0.00 H new ATOM 0 HB2 GLU A 13 5.981 -6.481 11.174 1.00 0.00 H new ATOM 0 HB3 GLU A 13 4.630 -5.396 11.437 1.00 0.00 H new ATOM 0 HG2 GLU A 13 4.678 -8.198 12.606 1.00 0.00 H new ATOM 0 HG3 GLU A 13 5.430 -6.846 13.429 1.00 0.00 H new ATOM 210 N LEU A 14 5.164 -6.253 8.177 1.00 0.00 N ATOM 211 CA LEU A 14 5.383 -5.579 6.904 1.00 0.00 C ATOM 212 C LEU A 14 4.239 -6.029 6.027 1.00 0.00 C ATOM 213 O LEU A 14 3.423 -5.212 5.624 1.00 0.00 O ATOM 214 CB LEU A 14 6.746 -5.966 6.236 1.00 0.00 C ATOM 215 CG LEU A 14 8.041 -5.115 6.349 1.00 0.00 C ATOM 216 CD1 LEU A 14 7.994 -4.030 7.388 1.00 0.00 C ATOM 217 CD2 LEU A 14 9.365 -5.837 6.593 1.00 0.00 C ATOM 0 H LEU A 14 5.982 -6.804 8.438 1.00 0.00 H new ATOM 0 HA LEU A 14 5.423 -4.499 7.047 1.00 0.00 H new ATOM 0 HB2 LEU A 14 6.999 -6.957 6.613 1.00 0.00 H new ATOM 0 HB3 LEU A 14 6.543 -6.072 5.170 1.00 0.00 H new ATOM 0 HG LEU A 14 8.038 -4.725 5.331 1.00 0.00 H new ATOM 0 HD11 LEU A 14 8.941 -3.490 7.394 1.00 0.00 H new ATOM 0 HD12 LEU A 14 7.184 -3.339 7.156 1.00 0.00 H new ATOM 0 HD13 LEU A 14 7.823 -4.473 8.369 1.00 0.00 H new ATOM 0 HD21 LEU A 14 10.173 -5.107 6.647 1.00 0.00 H new ATOM 0 HD22 LEU A 14 9.311 -6.389 7.531 1.00 0.00 H new ATOM 0 HD23 LEU A 14 9.557 -6.531 5.775 1.00 0.00 H new ATOM 229 N LYS A 15 4.132 -7.321 5.721 1.00 0.00 N ATOM 230 CA LYS A 15 3.079 -7.777 4.834 1.00 0.00 C ATOM 231 C LYS A 15 1.733 -7.391 5.398 1.00 0.00 C ATOM 232 O LYS A 15 0.972 -6.785 4.669 1.00 0.00 O ATOM 233 CB LYS A 15 3.167 -9.265 4.519 1.00 0.00 C ATOM 234 CG LYS A 15 3.144 -10.209 5.727 1.00 0.00 C ATOM 235 CD LYS A 15 1.775 -10.858 5.976 1.00 0.00 C ATOM 236 CE LYS A 15 1.536 -11.988 4.970 1.00 0.00 C ATOM 237 NZ LYS A 15 1.873 -13.323 5.502 1.00 0.00 N ATOM 0 H LYS A 15 4.751 -8.053 6.069 1.00 0.00 H new ATOM 0 HA LYS A 15 3.212 -7.276 3.875 1.00 0.00 H new ATOM 0 HB2 LYS A 15 2.338 -9.527 3.862 1.00 0.00 H new ATOM 0 HB3 LYS A 15 4.085 -9.444 3.960 1.00 0.00 H new ATOM 0 HG2 LYS A 15 3.886 -10.993 5.579 1.00 0.00 H new ATOM 0 HG3 LYS A 15 3.440 -9.654 6.617 1.00 0.00 H new ATOM 0 HD2 LYS A 15 1.729 -11.250 6.992 1.00 0.00 H new ATOM 0 HD3 LYS A 15 0.988 -10.109 5.887 1.00 0.00 H new ATOM 0 HE2 LYS A 15 0.489 -11.979 4.666 1.00 0.00 H new ATOM 0 HE3 LYS A 15 2.130 -11.800 4.075 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 1.690 -14.043 4.774 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 2.878 -13.347 5.767 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 1.289 -13.521 6.340 1.00 0.00 H new ATOM 251 N ASN A 16 1.464 -7.598 6.679 1.00 0.00 N ATOM 252 CA ASN A 16 0.144 -7.321 7.222 1.00 0.00 C ATOM 253 C ASN A 16 -0.232 -5.829 7.203 1.00 0.00 C ATOM 254 O ASN A 16 -1.396 -5.471 7.400 1.00 0.00 O ATOM 255 CB ASN A 16 0.115 -7.855 8.653 1.00 0.00 C ATOM 256 CG ASN A 16 -1.276 -7.686 9.247 1.00 0.00 C ATOM 257 OD1 ASN A 16 -2.263 -8.071 8.635 1.00 0.00 O ATOM 258 ND2 ASN A 16 -1.405 -7.088 10.419 1.00 0.00 N ATOM 0 H ASN A 16 2.138 -7.954 7.357 1.00 0.00 H new ATOM 0 HA ASN A 16 -0.595 -7.814 6.590 1.00 0.00 H new ATOM 0 HB2 ASN A 16 0.397 -8.908 8.662 1.00 0.00 H new ATOM 0 HB3 ASN A 16 0.846 -7.324 9.262 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -2.332 -6.945 10.819 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -0.577 -6.770 10.923 1.00 0.00 H new ATOM 265 N LEU A 17 0.717 -4.940 6.915 1.00 0.00 N ATOM 266 CA LEU A 17 0.438 -3.513 6.712 1.00 0.00 C ATOM 267 C LEU A 17 0.346 -3.258 5.211 1.00 0.00 C ATOM 268 O LEU A 17 -0.590 -2.648 4.696 1.00 0.00 O ATOM 269 CB LEU A 17 1.548 -2.635 7.326 1.00 0.00 C ATOM 270 CG LEU A 17 1.258 -2.047 8.716 1.00 0.00 C ATOM 271 CD1 LEU A 17 1.398 -3.082 9.834 1.00 0.00 C ATOM 272 CD2 LEU A 17 2.245 -0.897 8.960 1.00 0.00 C ATOM 0 H LEU A 17 1.702 -5.185 6.815 1.00 0.00 H new ATOM 0 HA LEU A 17 -0.498 -3.253 7.206 1.00 0.00 H new ATOM 0 HB2 LEU A 17 2.459 -3.230 7.389 1.00 0.00 H new ATOM 0 HB3 LEU A 17 1.751 -1.812 6.641 1.00 0.00 H new ATOM 0 HG LEU A 17 0.225 -1.700 8.732 1.00 0.00 H new ATOM 0 HD11 LEU A 17 1.182 -2.612 10.794 1.00 0.00 H new ATOM 0 HD12 LEU A 17 0.697 -3.899 9.664 1.00 0.00 H new ATOM 0 HD13 LEU A 17 2.415 -3.473 9.842 1.00 0.00 H new ATOM 0 HD21 LEU A 17 2.060 -0.461 9.942 1.00 0.00 H new ATOM 0 HD22 LEU A 17 3.265 -1.278 8.918 1.00 0.00 H new ATOM 0 HD23 LEU A 17 2.111 -0.134 8.193 1.00 0.00 H new ATOM 284 N LEU A 18 1.359 -3.721 4.485 1.00 0.00 N ATOM 285 CA LEU A 18 1.599 -3.351 3.101 1.00 0.00 C ATOM 286 C LEU A 18 0.669 -4.114 2.171 1.00 0.00 C ATOM 287 O LEU A 18 0.481 -3.713 1.021 1.00 0.00 O ATOM 288 CB LEU A 18 3.069 -3.631 2.694 1.00 0.00 C ATOM 289 CG LEU A 18 4.261 -3.180 3.588 1.00 0.00 C ATOM 290 CD1 LEU A 18 5.398 -2.563 2.777 1.00 0.00 C ATOM 291 CD2 LEU A 18 3.957 -2.253 4.776 1.00 0.00 C ATOM 0 H LEU A 18 2.048 -4.377 4.853 1.00 0.00 H new ATOM 0 HA LEU A 18 1.404 -2.282 3.011 1.00 0.00 H new ATOM 0 HB2 LEU A 18 3.161 -4.709 2.563 1.00 0.00 H new ATOM 0 HB3 LEU A 18 3.218 -3.177 1.714 1.00 0.00 H new ATOM 0 HG LEU A 18 4.552 -4.133 4.030 1.00 0.00 H new ATOM 0 HD11 LEU A 18 6.204 -2.266 3.448 1.00 0.00 H new ATOM 0 HD12 LEU A 18 5.773 -3.295 2.061 1.00 0.00 H new ATOM 0 HD13 LEU A 18 5.030 -1.688 2.242 1.00 0.00 H new ATOM 0 HD21 LEU A 18 4.882 -2.024 5.305 1.00 0.00 H new ATOM 0 HD22 LEU A 18 3.510 -1.328 4.411 1.00 0.00 H new ATOM 0 HD23 LEU A 18 3.263 -2.748 5.456 1.00 0.00 H new ATOM 303 N GLU A 19 0.122 -5.230 2.624 1.00 0.00 N ATOM 304 CA GLU A 19 -0.996 -5.922 2.016 1.00 0.00 C ATOM 305 C GLU A 19 -2.260 -5.064 2.139 1.00 0.00 C ATOM 306 O GLU A 19 -3.039 -5.035 1.191 1.00 0.00 O ATOM 307 CB GLU A 19 -1.170 -7.325 2.641 1.00 0.00 C ATOM 308 CG GLU A 19 -1.964 -7.339 3.953 1.00 0.00 C ATOM 309 CD GLU A 19 -2.078 -8.724 4.597 1.00 0.00 C ATOM 310 OE1 GLU A 19 -1.408 -9.680 4.158 1.00 0.00 O ATOM 311 OE2 GLU A 19 -2.918 -8.841 5.513 1.00 0.00 O ATOM 0 H GLU A 19 0.463 -5.697 3.464 1.00 0.00 H new ATOM 0 HA GLU A 19 -0.802 -6.074 0.954 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -1.671 -7.971 1.920 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -0.184 -7.754 2.822 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -1.490 -6.659 4.660 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -2.966 -6.954 3.764 1.00 0.00 H new ATOM 318 N GLU A 20 -2.475 -4.364 3.264 1.00 0.00 N ATOM 319 CA GLU A 20 -3.747 -3.699 3.517 1.00 0.00 C ATOM 320 C GLU A 20 -3.914 -2.499 2.589 1.00 0.00 C ATOM 321 O GLU A 20 -4.941 -2.355 1.940 1.00 0.00 O ATOM 322 CB GLU A 20 -3.983 -3.293 4.977 1.00 0.00 C ATOM 323 CG GLU A 20 -5.511 -3.189 5.198 1.00 0.00 C ATOM 324 CD GLU A 20 -5.877 -2.127 6.224 1.00 0.00 C ATOM 325 OE1 GLU A 20 -5.860 -0.930 5.860 1.00 0.00 O ATOM 326 OE2 GLU A 20 -6.140 -2.426 7.408 1.00 0.00 O ATOM 0 H GLU A 20 -1.783 -4.249 4.005 1.00 0.00 H new ATOM 0 HA GLU A 20 -4.512 -4.446 3.303 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -3.548 -4.029 5.653 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -3.500 -2.339 5.191 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -5.998 -2.958 4.250 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -5.895 -4.155 5.526 1.00 0.00 H new ATOM 333 N LYS A 21 -2.890 -1.663 2.442 1.00 0.00 N ATOM 334 CA LYS A 21 -2.846 -0.584 1.483 1.00 0.00 C ATOM 335 C LYS A 21 -3.127 -1.180 0.092 1.00 0.00 C ATOM 336 O LYS A 21 -4.109 -0.799 -0.547 1.00 0.00 O ATOM 337 CB LYS A 21 -1.496 0.134 1.722 1.00 0.00 C ATOM 338 CG LYS A 21 -1.413 0.866 3.084 1.00 0.00 C ATOM 339 CD LYS A 21 -2.374 2.056 3.312 1.00 0.00 C ATOM 340 CE LYS A 21 -1.785 3.414 2.920 1.00 0.00 C ATOM 341 NZ LYS A 21 -1.196 4.157 4.069 1.00 0.00 N ATOM 0 H LYS A 21 -2.045 -1.727 3.010 1.00 0.00 H new ATOM 0 HA LYS A 21 -3.607 0.190 1.581 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -0.690 -0.598 1.663 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -1.331 0.855 0.921 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -1.591 0.134 3.871 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -0.393 1.228 3.210 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -3.286 1.888 2.740 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -2.658 2.084 4.364 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -1.016 3.263 2.162 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -2.566 4.023 2.465 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -0.683 4.990 3.717 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -1.955 4.463 4.710 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -0.538 3.537 4.583 1.00 0.00 H new ATOM 355 N LYS A 22 -2.327 -2.138 -0.393 1.00 0.00 N ATOM 356 CA LYS A 22 -2.564 -2.849 -1.653 1.00 0.00 C ATOM 357 C LYS A 22 -4.019 -3.320 -1.829 1.00 0.00 C ATOM 358 O LYS A 22 -4.540 -3.127 -2.933 1.00 0.00 O ATOM 359 CB LYS A 22 -1.540 -3.989 -1.777 1.00 0.00 C ATOM 360 CG LYS A 22 -1.818 -5.000 -2.902 1.00 0.00 C ATOM 361 CD LYS A 22 -0.558 -5.828 -3.164 1.00 0.00 C ATOM 362 CE LYS A 22 -0.835 -7.105 -3.958 1.00 0.00 C ATOM 363 NZ LYS A 22 0.370 -7.951 -4.081 1.00 0.00 N ATOM 0 H LYS A 22 -1.482 -2.445 0.089 1.00 0.00 H new ATOM 0 HA LYS A 22 -2.418 -2.151 -2.477 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -0.554 -3.554 -1.937 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -1.502 -4.526 -0.829 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -2.644 -5.654 -2.623 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -2.118 -4.477 -3.810 1.00 0.00 H new ATOM 0 HD2 LYS A 22 0.164 -5.218 -3.708 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -0.099 -6.092 -2.211 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -1.628 -7.671 -3.469 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -1.197 -6.843 -4.952 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 0.140 -8.806 -4.626 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 1.118 -7.420 -4.570 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 0.701 -8.223 -3.133 1.00 0.00 H new ATOM 377 N ARG A 23 -4.694 -3.930 -0.838 1.00 0.00 N ATOM 378 CA ARG A 23 -6.108 -4.283 -1.021 1.00 0.00 C ATOM 379 C ARG A 23 -6.970 -3.040 -1.038 1.00 0.00 C ATOM 380 O ARG A 23 -7.733 -2.895 -1.982 1.00 0.00 O ATOM 381 CB ARG A 23 -6.622 -5.315 -0.011 1.00 0.00 C ATOM 382 CG ARG A 23 -6.530 -4.877 1.451 1.00 0.00 C ATOM 383 CD ARG A 23 -6.857 -5.941 2.503 1.00 0.00 C ATOM 384 NE ARG A 23 -5.798 -6.963 2.630 1.00 0.00 N ATOM 385 CZ ARG A 23 -5.598 -8.011 1.824 1.00 0.00 C ATOM 386 NH1 ARG A 23 -6.549 -8.437 0.997 1.00 0.00 N ATOM 387 NH2 ARG A 23 -4.410 -8.610 1.813 1.00 0.00 N ATOM 0 H ARG A 23 -4.298 -4.181 0.068 1.00 0.00 H new ATOM 0 HA ARG A 23 -6.180 -4.772 -1.992 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -7.662 -5.544 -0.243 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -6.057 -6.239 -0.136 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -5.519 -4.513 1.636 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -7.204 -4.033 1.598 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -7.007 -5.457 3.468 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -7.796 -6.428 2.241 1.00 0.00 H new ATOM 0 HE ARG A 23 -5.153 -6.858 3.413 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -7.451 -7.962 0.970 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -6.376 -9.238 0.390 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -3.661 -8.269 2.416 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -4.248 -9.410 1.202 1.00 0.00 H new ATOM 401 N GLN A 24 -6.821 -2.138 -0.072 1.00 0.00 N ATOM 402 CA GLN A 24 -7.622 -0.944 0.102 1.00 0.00 C ATOM 403 C GLN A 24 -7.767 -0.210 -1.215 1.00 0.00 C ATOM 404 O GLN A 24 -8.879 0.140 -1.580 1.00 0.00 O ATOM 405 CB GLN A 24 -6.961 0.005 1.101 1.00 0.00 C ATOM 406 CG GLN A 24 -7.395 -0.150 2.562 1.00 0.00 C ATOM 407 CD GLN A 24 -7.389 1.199 3.296 1.00 0.00 C ATOM 408 OE1 GLN A 24 -7.760 2.242 2.759 1.00 0.00 O ATOM 409 NE2 GLN A 24 -6.922 1.244 4.526 1.00 0.00 N ATOM 0 H GLN A 24 -6.100 -2.231 0.644 1.00 0.00 H new ATOM 0 HA GLN A 24 -8.600 -1.253 0.471 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -5.882 -0.136 1.046 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -7.165 1.029 0.789 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -8.395 -0.583 2.602 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -6.726 -0.845 3.070 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -6.611 0.388 4.985 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -6.872 2.135 5.020 1.00 0.00 H new ATOM 418 N LEU A 25 -6.671 -0.005 -1.953 1.00 0.00 N ATOM 419 CA LEU A 25 -6.750 0.622 -3.262 1.00 0.00 C ATOM 420 C LEU A 25 -7.806 -0.064 -4.121 1.00 0.00 C ATOM 421 O LEU A 25 -8.709 0.600 -4.625 1.00 0.00 O ATOM 422 CB LEU A 25 -5.383 0.539 -3.944 1.00 0.00 C ATOM 423 CG LEU A 25 -5.432 0.956 -5.425 1.00 0.00 C ATOM 424 CD1 LEU A 25 -5.334 2.472 -5.497 1.00 0.00 C ATOM 425 CD2 LEU A 25 -4.333 0.304 -6.248 1.00 0.00 C ATOM 0 H LEU A 25 -5.728 -0.265 -1.663 1.00 0.00 H new ATOM 0 HA LEU A 25 -7.035 1.667 -3.141 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -4.678 1.179 -3.414 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -5.006 -0.481 -3.870 1.00 0.00 H new ATOM 0 HG LEU A 25 -6.374 0.615 -5.854 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -5.367 2.790 -6.539 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -6.169 2.917 -4.956 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -4.396 2.798 -5.048 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -4.412 0.631 -7.285 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -3.360 0.593 -5.850 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -4.437 -0.780 -6.201 1.00 0.00 H new ATOM 437 N MET A 26 -7.640 -1.368 -4.334 1.00 0.00 N ATOM 438 CA MET A 26 -8.561 -2.183 -5.101 1.00 0.00 C ATOM 439 C MET A 26 -9.994 -2.087 -4.559 1.00 0.00 C ATOM 440 O MET A 26 -10.936 -2.067 -5.349 1.00 0.00 O ATOM 441 CB MET A 26 -8.032 -3.632 -5.163 1.00 0.00 C ATOM 442 CG MET A 26 -9.159 -4.665 -5.126 1.00 0.00 C ATOM 443 SD MET A 26 -8.708 -6.382 -5.427 1.00 0.00 S ATOM 444 CE MET A 26 -10.374 -7.097 -5.498 1.00 0.00 C ATOM 0 H MET A 26 -6.844 -1.891 -3.969 1.00 0.00 H new ATOM 0 HA MET A 26 -8.615 -1.803 -6.121 1.00 0.00 H new ATOM 0 HB2 MET A 26 -7.450 -3.765 -6.075 1.00 0.00 H new ATOM 0 HB3 MET A 26 -7.356 -3.805 -4.326 1.00 0.00 H new ATOM 0 HG2 MET A 26 -9.639 -4.608 -4.149 1.00 0.00 H new ATOM 0 HG3 MET A 26 -9.906 -4.377 -5.865 1.00 0.00 H new ATOM 0 HE1 MET A 26 -10.302 -8.169 -5.680 1.00 0.00 H new ATOM 0 HE2 MET A 26 -10.885 -6.923 -4.551 1.00 0.00 H new ATOM 0 HE3 MET A 26 -10.937 -6.629 -6.306 1.00 0.00 H new ATOM 454 N GLU A 27 -10.170 -2.084 -3.243 1.00 0.00 N ATOM 455 CA GLU A 27 -11.467 -2.289 -2.597 1.00 0.00 C ATOM 456 C GLU A 27 -12.250 -0.982 -2.655 1.00 0.00 C ATOM 457 O GLU A 27 -13.455 -0.939 -2.877 1.00 0.00 O ATOM 458 CB GLU A 27 -11.266 -2.702 -1.140 1.00 0.00 C ATOM 459 CG GLU A 27 -10.469 -4.003 -1.031 1.00 0.00 C ATOM 460 CD GLU A 27 -11.308 -5.262 -0.845 1.00 0.00 C ATOM 461 OE1 GLU A 27 -12.106 -5.589 -1.754 1.00 0.00 O ATOM 462 OE2 GLU A 27 -11.138 -5.982 0.164 1.00 0.00 O ATOM 0 H GLU A 27 -9.407 -1.937 -2.583 1.00 0.00 H new ATOM 0 HA GLU A 27 -12.015 -3.078 -3.112 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -10.745 -1.909 -0.604 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -12.236 -2.827 -0.659 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -9.865 -4.117 -1.931 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -9.778 -3.918 -0.192 1.00 0.00 H new ATOM 469 N LEU A 28 -11.533 0.123 -2.519 1.00 0.00 N ATOM 470 CA LEU A 28 -12.085 1.448 -2.657 1.00 0.00 C ATOM 471 C LEU A 28 -12.454 1.708 -4.117 1.00 0.00 C ATOM 472 O LEU A 28 -13.556 2.179 -4.397 1.00 0.00 O ATOM 473 CB LEU A 28 -11.089 2.455 -2.086 1.00 0.00 C ATOM 474 CG LEU A 28 -11.118 2.687 -0.556 1.00 0.00 C ATOM 475 CD1 LEU A 28 -11.335 1.439 0.312 1.00 0.00 C ATOM 476 CD2 LEU A 28 -9.793 3.346 -0.156 1.00 0.00 C ATOM 0 H LEU A 28 -10.535 0.116 -2.306 1.00 0.00 H new ATOM 0 HA LEU A 28 -13.010 1.552 -2.091 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -10.085 2.130 -2.360 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -11.259 3.414 -2.577 1.00 0.00 H new ATOM 0 HG LEU A 28 -11.990 3.313 -0.365 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -11.337 1.723 1.364 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -12.291 0.981 0.058 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -10.531 0.725 0.130 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -9.784 3.522 0.920 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -8.965 2.689 -0.423 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -9.686 4.296 -0.680 1.00 0.00 H new ATOM 488 N ARG A 29 -11.602 1.351 -5.085 1.00 0.00 N ATOM 489 CA ARG A 29 -11.995 1.494 -6.499 1.00 0.00 C ATOM 490 C ARG A 29 -13.198 0.606 -6.849 1.00 0.00 C ATOM 491 O ARG A 29 -13.962 0.955 -7.753 1.00 0.00 O ATOM 492 CB ARG A 29 -10.833 1.318 -7.483 1.00 0.00 C ATOM 493 CG ARG A 29 -10.263 -0.089 -7.564 1.00 0.00 C ATOM 494 CD ARG A 29 -9.357 -0.283 -8.781 1.00 0.00 C ATOM 495 NE ARG A 29 -10.165 -0.557 -9.983 1.00 0.00 N ATOM 496 CZ ARG A 29 -9.748 -1.078 -11.140 1.00 0.00 C ATOM 497 NH1 ARG A 29 -8.457 -1.298 -11.392 1.00 0.00 N ATOM 498 NH2 ARG A 29 -10.661 -1.313 -12.071 1.00 0.00 N ATOM 0 H ARG A 29 -10.667 0.974 -4.929 1.00 0.00 H new ATOM 0 HA ARG A 29 -12.311 2.530 -6.616 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -11.171 1.614 -8.476 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -10.032 2.002 -7.201 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -9.698 -0.302 -6.656 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -11.081 -0.808 -7.606 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -8.751 0.610 -8.938 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -8.668 -1.108 -8.602 1.00 0.00 H new ATOM 0 HE ARG A 29 -11.156 -0.322 -9.925 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -7.754 -1.067 -10.690 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -8.173 -1.697 -12.286 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -11.641 -1.097 -11.890 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -10.384 -1.710 -12.969 1.00 0.00 H new ATOM 512 N PHE A 30 -13.364 -0.504 -6.130 1.00 0.00 N ATOM 513 CA PHE A 30 -14.505 -1.401 -6.186 1.00 0.00 C ATOM 514 C PHE A 30 -15.759 -0.724 -5.611 1.00 0.00 C ATOM 515 O PHE A 30 -16.800 -0.775 -6.265 1.00 0.00 O ATOM 516 CB PHE A 30 -14.118 -2.703 -5.462 1.00 0.00 C ATOM 517 CG PHE A 30 -15.244 -3.588 -4.982 1.00 0.00 C ATOM 518 CD1 PHE A 30 -15.943 -4.398 -5.892 1.00 0.00 C ATOM 519 CD2 PHE A 30 -15.537 -3.658 -3.605 1.00 0.00 C ATOM 520 CE1 PHE A 30 -16.906 -5.304 -5.423 1.00 0.00 C ATOM 521 CE2 PHE A 30 -16.497 -4.569 -3.137 1.00 0.00 C ATOM 522 CZ PHE A 30 -17.168 -5.404 -4.044 1.00 0.00 C ATOM 0 H PHE A 30 -12.663 -0.814 -5.457 1.00 0.00 H new ATOM 0 HA PHE A 30 -14.763 -1.648 -7.216 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -13.491 -3.289 -6.134 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -13.504 -2.441 -4.600 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -15.740 -4.324 -6.950 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -15.023 -3.011 -2.910 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -17.447 -5.926 -6.121 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -16.719 -4.627 -2.082 1.00 0.00 H new ATOM 0 HZ PHE A 30 -17.887 -6.125 -3.683 1.00 0.00 H new ATOM 532 N GLN A 31 -15.698 -0.037 -4.455 1.00 0.00 N ATOM 533 CA GLN A 31 -16.848 0.645 -3.892 1.00 0.00 C ATOM 534 C GLN A 31 -17.231 1.758 -4.838 1.00 0.00 C ATOM 535 O GLN A 31 -18.403 2.003 -5.060 1.00 0.00 O ATOM 536 CB GLN A 31 -16.511 1.272 -2.532 1.00 0.00 C ATOM 537 CG GLN A 31 -16.369 0.250 -1.403 1.00 0.00 C ATOM 538 CD GLN A 31 -16.253 0.951 -0.051 1.00 0.00 C ATOM 539 OE1 GLN A 31 -15.423 1.839 0.136 1.00 0.00 O ATOM 540 NE2 GLN A 31 -17.108 0.619 0.901 1.00 0.00 N ATOM 0 H GLN A 31 -14.849 0.053 -3.898 1.00 0.00 H new ATOM 0 HA GLN A 31 -17.656 -0.074 -3.755 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -15.581 1.834 -2.621 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -17.291 1.986 -2.268 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -17.231 -0.417 -1.399 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -15.488 -0.368 -1.574 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -17.793 -0.119 0.737 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -17.083 1.101 1.800 1.00 0.00 H new ATOM 549 N LEU A 32 -16.245 2.450 -5.393 1.00 0.00 N ATOM 550 CA LEU A 32 -16.430 3.554 -6.309 1.00 0.00 C ATOM 551 C LEU A 32 -17.264 3.122 -7.502 1.00 0.00 C ATOM 552 O LEU A 32 -18.280 3.754 -7.780 1.00 0.00 O ATOM 553 CB LEU A 32 -15.041 4.078 -6.680 1.00 0.00 C ATOM 554 CG LEU A 32 -14.979 5.159 -7.762 1.00 0.00 C ATOM 555 CD1 LEU A 32 -15.355 4.760 -9.188 1.00 0.00 C ATOM 556 CD2 LEU A 32 -15.796 6.378 -7.322 1.00 0.00 C ATOM 0 H LEU A 32 -15.263 2.247 -5.208 1.00 0.00 H new ATOM 0 HA LEU A 32 -16.992 4.369 -5.853 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -14.574 4.473 -5.778 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -14.435 3.233 -7.008 1.00 0.00 H new ATOM 0 HG LEU A 32 -13.915 5.382 -7.841 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -15.265 5.626 -9.844 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -14.686 3.972 -9.534 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -16.383 4.397 -9.205 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -15.749 7.145 -8.095 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -16.834 6.083 -7.165 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -15.387 6.774 -6.392 1.00 0.00 H new ATOM 568 N ALA A 33 -16.826 2.058 -8.171 1.00 0.00 N ATOM 569 CA ALA A 33 -17.481 1.469 -9.331 1.00 0.00 C ATOM 570 C ALA A 33 -18.913 1.040 -9.011 1.00 0.00 C ATOM 571 O ALA A 33 -19.810 1.202 -9.844 1.00 0.00 O ATOM 572 CB ALA A 33 -16.666 0.258 -9.798 1.00 0.00 C ATOM 0 H ALA A 33 -15.972 1.565 -7.908 1.00 0.00 H new ATOM 0 HA ALA A 33 -17.531 2.219 -10.120 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -17.147 -0.191 -10.667 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -15.659 0.578 -10.066 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -16.611 -0.476 -8.994 1.00 0.00 H new ATOM 578 N MET A 34 -19.126 0.462 -7.826 1.00 0.00 N ATOM 579 CA MET A 34 -20.450 0.077 -7.374 1.00 0.00 C ATOM 580 C MET A 34 -21.321 1.302 -7.123 1.00 0.00 C ATOM 581 O MET A 34 -22.492 1.328 -7.513 1.00 0.00 O ATOM 582 CB MET A 34 -20.332 -0.785 -6.113 1.00 0.00 C ATOM 583 CG MET A 34 -20.338 -2.274 -6.483 1.00 0.00 C ATOM 584 SD MET A 34 -21.848 -3.125 -5.926 1.00 0.00 S ATOM 585 CE MET A 34 -21.973 -4.431 -7.171 1.00 0.00 C ATOM 0 H MET A 34 -18.383 0.252 -7.160 1.00 0.00 H new ATOM 0 HA MET A 34 -20.933 -0.509 -8.156 1.00 0.00 H new ATOM 0 HB2 MET A 34 -19.413 -0.539 -5.581 1.00 0.00 H new ATOM 0 HB3 MET A 34 -21.159 -0.568 -5.437 1.00 0.00 H new ATOM 0 HG2 MET A 34 -20.245 -2.377 -7.564 1.00 0.00 H new ATOM 0 HG3 MET A 34 -19.468 -2.758 -6.041 1.00 0.00 H new ATOM 0 HE1 MET A 34 -22.852 -5.043 -6.969 1.00 0.00 H new ATOM 0 HE2 MET A 34 -22.063 -3.983 -8.161 1.00 0.00 H new ATOM 0 HE3 MET A 34 -21.080 -5.055 -7.135 1.00 0.00 H new ATOM 595 N GLY A 35 -20.729 2.307 -6.494 1.00 0.00 N ATOM 596 CA GLY A 35 -21.206 3.660 -6.364 1.00 0.00 C ATOM 597 C GLY A 35 -21.262 4.142 -4.926 1.00 0.00 C ATOM 598 O GLY A 35 -22.231 4.808 -4.572 1.00 0.00 O ATOM 0 H GLY A 35 -19.831 2.178 -6.027 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -20.558 4.323 -6.937 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -22.201 3.731 -6.802 1.00 0.00 H new ATOM 602 N GLN A 36 -20.254 3.825 -4.105 1.00 0.00 N ATOM 603 CA GLN A 36 -20.287 4.128 -2.671 1.00 0.00 C ATOM 604 C GLN A 36 -19.152 5.049 -2.234 1.00 0.00 C ATOM 605 O GLN A 36 -19.262 5.736 -1.220 1.00 0.00 O ATOM 606 CB GLN A 36 -20.239 2.846 -1.830 1.00 0.00 C ATOM 607 CG GLN A 36 -20.780 1.580 -2.507 1.00 0.00 C ATOM 608 CD GLN A 36 -20.920 0.493 -1.452 1.00 0.00 C ATOM 609 OE1 GLN A 36 -19.933 -0.054 -0.962 1.00 0.00 O ATOM 610 NE2 GLN A 36 -22.126 0.232 -0.988 1.00 0.00 N ATOM 0 H GLN A 36 -19.402 3.356 -4.412 1.00 0.00 H new ATOM 0 HA GLN A 36 -21.230 4.647 -2.501 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -19.205 2.665 -1.538 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -20.804 3.014 -0.913 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -21.744 1.782 -2.973 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -20.105 1.255 -3.299 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -22.940 0.689 -1.399 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -22.245 -0.427 -0.218 1.00 0.00 H new ATOM 619 N LEU A 37 -18.039 5.039 -2.971 1.00 0.00 N ATOM 620 CA LEU A 37 -16.924 5.932 -2.732 1.00 0.00 C ATOM 621 C LEU A 37 -17.386 7.384 -2.913 1.00 0.00 C ATOM 622 O LEU A 37 -17.399 8.132 -1.935 1.00 0.00 O ATOM 623 CB LEU A 37 -15.780 5.502 -3.649 1.00 0.00 C ATOM 624 CG LEU A 37 -14.323 5.698 -3.213 1.00 0.00 C ATOM 625 CD1 LEU A 37 -13.920 7.099 -2.774 1.00 0.00 C ATOM 626 CD2 LEU A 37 -13.953 4.642 -2.186 1.00 0.00 C ATOM 0 H LEU A 37 -17.894 4.402 -3.755 1.00 0.00 H new ATOM 0 HA LEU A 37 -16.551 5.876 -1.709 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -15.915 4.440 -3.857 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -15.908 6.030 -4.594 1.00 0.00 H new ATOM 0 HG LEU A 37 -13.733 5.568 -4.121 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -12.867 7.103 -2.491 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -14.078 7.797 -3.596 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -14.526 7.401 -1.920 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -12.917 4.782 -1.877 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -14.606 4.734 -1.318 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -14.070 3.651 -2.625 1.00 0.00 H new ATOM 638 N LYS A 38 -17.777 7.779 -4.139 1.00 0.00 N ATOM 639 CA LYS A 38 -17.820 9.170 -4.623 1.00 0.00 C ATOM 640 C LYS A 38 -16.562 9.964 -4.228 1.00 0.00 C ATOM 641 O LYS A 38 -15.665 9.440 -3.581 1.00 0.00 O ATOM 642 CB LYS A 38 -19.129 9.861 -4.184 1.00 0.00 C ATOM 643 CG LYS A 38 -20.321 9.603 -5.122 1.00 0.00 C ATOM 644 CD LYS A 38 -21.212 8.427 -4.708 1.00 0.00 C ATOM 645 CE LYS A 38 -22.391 8.344 -5.688 1.00 0.00 C ATOM 646 NZ LYS A 38 -23.288 7.210 -5.397 1.00 0.00 N ATOM 0 H LYS A 38 -18.083 7.111 -4.847 1.00 0.00 H new ATOM 0 HA LYS A 38 -17.818 9.146 -5.713 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -19.389 9.520 -3.182 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -18.956 10.935 -4.120 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -20.931 10.505 -5.170 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -19.943 9.420 -6.128 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -20.643 7.497 -4.720 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -21.574 8.566 -3.689 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -22.960 9.273 -5.647 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -22.009 8.249 -6.704 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -23.725 6.877 -6.280 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -22.741 6.436 -4.968 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -24.031 7.516 -4.737 1.00 0.00 H new ATOM 660 N ASN A 39 -16.436 11.231 -4.623 1.00 0.00 N ATOM 661 CA ASN A 39 -15.338 12.158 -4.295 1.00 0.00 C ATOM 662 C ASN A 39 -13.971 11.767 -4.883 1.00 0.00 C ATOM 663 O ASN A 39 -13.332 12.566 -5.555 1.00 0.00 O ATOM 664 CB ASN A 39 -15.234 12.391 -2.771 1.00 0.00 C ATOM 665 CG ASN A 39 -14.389 13.610 -2.410 1.00 0.00 C ATOM 666 OD1 ASN A 39 -13.785 14.252 -3.260 1.00 0.00 O ATOM 667 ND2 ASN A 39 -14.283 13.965 -1.147 1.00 0.00 N ATOM 0 H ASN A 39 -17.138 11.671 -5.218 1.00 0.00 H new ATOM 0 HA ASN A 39 -15.608 13.095 -4.783 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -16.235 12.515 -2.359 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -14.804 11.506 -2.302 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -13.704 14.764 -0.889 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -14.780 13.441 -0.427 1.00 0.00 H new ATOM 674 N THR A 40 -13.483 10.549 -4.656 1.00 0.00 N ATOM 675 CA THR A 40 -12.241 9.924 -5.118 1.00 0.00 C ATOM 676 C THR A 40 -10.943 10.532 -4.588 1.00 0.00 C ATOM 677 O THR A 40 -9.900 9.890 -4.720 1.00 0.00 O ATOM 678 CB THR A 40 -12.181 9.785 -6.644 1.00 0.00 C ATOM 679 OG1 THR A 40 -12.169 11.041 -7.301 1.00 0.00 O ATOM 680 CG2 THR A 40 -13.328 8.937 -7.198 1.00 0.00 C ATOM 0 H THR A 40 -14.011 9.898 -4.075 1.00 0.00 H new ATOM 0 HA THR A 40 -12.296 8.933 -4.668 1.00 0.00 H new ATOM 0 HB THR A 40 -11.240 9.275 -6.849 1.00 0.00 H new ATOM 0 HG1 THR A 40 -12.206 11.759 -6.635 1.00 0.00 H new ATOM 0 HG21 THR A 40 -13.240 8.869 -8.282 1.00 0.00 H new ATOM 0 HG22 THR A 40 -13.282 7.937 -6.767 1.00 0.00 H new ATOM 0 HG23 THR A 40 -14.280 9.400 -6.940 1.00 0.00 H new ATOM 688 N SER A 41 -10.979 11.704 -3.955 1.00 0.00 N ATOM 689 CA SER A 41 -9.806 12.355 -3.383 1.00 0.00 C ATOM 690 C SER A 41 -9.000 11.383 -2.525 1.00 0.00 C ATOM 691 O SER A 41 -7.788 11.259 -2.683 1.00 0.00 O ATOM 692 CB SER A 41 -10.280 13.558 -2.563 1.00 0.00 C ATOM 693 OG SER A 41 -11.074 14.376 -3.393 1.00 0.00 O ATOM 0 H SER A 41 -11.840 12.235 -3.824 1.00 0.00 H new ATOM 0 HA SER A 41 -9.143 12.691 -4.181 1.00 0.00 H new ATOM 0 HB2 SER A 41 -10.853 13.225 -1.698 1.00 0.00 H new ATOM 0 HB3 SER A 41 -9.426 14.118 -2.183 1.00 0.00 H new ATOM 0 HG SER A 41 -12.020 14.156 -3.261 1.00 0.00 H new ATOM 699 N LEU A 42 -9.691 10.631 -1.665 1.00 0.00 N ATOM 700 CA LEU A 42 -9.052 9.723 -0.735 1.00 0.00 C ATOM 701 C LEU A 42 -8.411 8.576 -1.508 1.00 0.00 C ATOM 702 O LEU A 42 -7.240 8.297 -1.286 1.00 0.00 O ATOM 703 CB LEU A 42 -10.101 9.261 0.281 1.00 0.00 C ATOM 704 CG LEU A 42 -9.573 8.709 1.615 1.00 0.00 C ATOM 705 CD1 LEU A 42 -8.903 7.337 1.525 1.00 0.00 C ATOM 706 CD2 LEU A 42 -8.616 9.695 2.305 1.00 0.00 C ATOM 0 H LEU A 42 -10.709 10.641 -1.601 1.00 0.00 H new ATOM 0 HA LEU A 42 -8.249 10.209 -0.182 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -10.759 10.103 0.497 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -10.713 8.490 -0.188 1.00 0.00 H new ATOM 0 HG LEU A 42 -10.474 8.579 2.215 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -8.564 7.032 2.515 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -9.618 6.607 1.146 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -8.049 7.393 0.850 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -8.266 9.266 3.244 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -7.763 9.889 1.655 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -9.139 10.630 2.506 1.00 0.00 H new ATOM 718 N ILE A 43 -9.097 7.985 -2.492 1.00 0.00 N ATOM 719 CA ILE A 43 -8.517 7.020 -3.428 1.00 0.00 C ATOM 720 C ILE A 43 -7.208 7.550 -4.027 1.00 0.00 C ATOM 721 O ILE A 43 -6.219 6.823 -4.043 1.00 0.00 O ATOM 722 CB ILE A 43 -9.570 6.587 -4.484 1.00 0.00 C ATOM 723 CG1 ILE A 43 -10.028 5.137 -4.231 1.00 0.00 C ATOM 724 CG2 ILE A 43 -9.173 6.762 -5.955 1.00 0.00 C ATOM 725 CD1 ILE A 43 -9.024 4.015 -4.577 1.00 0.00 C ATOM 0 H ILE A 43 -10.086 8.168 -2.662 1.00 0.00 H new ATOM 0 HA ILE A 43 -8.241 6.113 -2.889 1.00 0.00 H new ATOM 0 HB ILE A 43 -10.390 7.289 -4.337 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -10.291 5.044 -3.177 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -10.939 4.965 -4.803 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -9.989 6.425 -6.595 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -8.967 7.814 -6.154 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -8.281 6.171 -6.164 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -9.470 3.046 -4.352 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -8.776 4.063 -5.637 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -8.117 4.143 -3.986 1.00 0.00 H new ATOM 737 N LYS A 44 -7.140 8.796 -4.497 1.00 0.00 N ATOM 738 CA LYS A 44 -5.948 9.392 -5.065 1.00 0.00 C ATOM 739 C LYS A 44 -4.823 9.417 -4.024 1.00 0.00 C ATOM 740 O LYS A 44 -3.684 9.073 -4.352 1.00 0.00 O ATOM 741 CB LYS A 44 -6.361 10.775 -5.650 1.00 0.00 C ATOM 742 CG LYS A 44 -5.472 11.977 -5.296 1.00 0.00 C ATOM 743 CD LYS A 44 -4.086 11.836 -5.920 1.00 0.00 C ATOM 744 CE LYS A 44 -2.954 12.392 -5.030 1.00 0.00 C ATOM 745 NZ LYS A 44 -2.313 13.605 -5.593 1.00 0.00 N ATOM 0 H LYS A 44 -7.939 9.430 -4.489 1.00 0.00 H new ATOM 0 HA LYS A 44 -5.530 8.810 -5.886 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -6.394 10.687 -6.736 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -7.375 10.994 -5.317 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -5.941 12.896 -5.647 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -5.380 12.059 -4.213 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -3.893 10.783 -6.125 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -4.073 12.355 -6.879 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -3.357 12.625 -4.044 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -2.197 11.620 -4.891 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -1.562 13.931 -4.951 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -1.902 13.381 -6.522 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -3.025 14.355 -5.702 1.00 0.00 H new ATOM 759 N LEU A 45 -5.104 9.766 -2.767 1.00 0.00 N ATOM 760 CA LEU A 45 -4.116 9.732 -1.723 1.00 0.00 C ATOM 761 C LEU A 45 -3.722 8.279 -1.473 1.00 0.00 C ATOM 762 O LEU A 45 -2.554 8.019 -1.195 1.00 0.00 O ATOM 763 CB LEU A 45 -4.693 10.381 -0.454 1.00 0.00 C ATOM 764 CG LEU A 45 -4.535 11.908 -0.275 1.00 0.00 C ATOM 765 CD1 LEU A 45 -3.132 12.434 -0.590 1.00 0.00 C ATOM 766 CD2 LEU A 45 -5.567 12.707 -1.067 1.00 0.00 C ATOM 0 H LEU A 45 -6.025 10.077 -2.459 1.00 0.00 H new ATOM 0 HA LEU A 45 -3.227 10.292 -2.014 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -5.758 10.150 -0.417 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -4.232 9.896 0.406 1.00 0.00 H new ATOM 0 HG LEU A 45 -4.710 12.061 0.790 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -3.106 13.513 -0.440 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -2.408 11.958 0.071 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -2.882 12.206 -1.626 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -5.407 13.772 -0.902 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -5.463 12.484 -2.129 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -6.569 12.436 -0.736 1.00 0.00 H new ATOM 778 N THR A 46 -4.655 7.338 -1.631 1.00 0.00 N ATOM 779 CA THR A 46 -4.438 5.930 -1.395 1.00 0.00 C ATOM 780 C THR A 46 -3.417 5.452 -2.436 1.00 0.00 C ATOM 781 O THR A 46 -2.353 4.996 -2.043 1.00 0.00 O ATOM 782 CB THR A 46 -5.815 5.217 -1.345 1.00 0.00 C ATOM 783 OG1 THR A 46 -6.665 5.864 -0.428 1.00 0.00 O ATOM 784 CG2 THR A 46 -5.831 3.779 -0.860 1.00 0.00 C ATOM 0 H THR A 46 -5.605 7.552 -1.935 1.00 0.00 H new ATOM 0 HA THR A 46 -3.994 5.687 -0.430 1.00 0.00 H new ATOM 0 HB THR A 46 -6.120 5.249 -2.391 1.00 0.00 H new ATOM 0 HG1 THR A 46 -6.974 6.712 -0.810 1.00 0.00 H new ATOM 0 HG21 THR A 46 -6.853 3.402 -0.874 1.00 0.00 H new ATOM 0 HG22 THR A 46 -5.209 3.168 -1.514 1.00 0.00 H new ATOM 0 HG23 THR A 46 -5.442 3.734 0.157 1.00 0.00 H new ATOM 792 N LYS A 47 -3.617 5.644 -3.750 1.00 0.00 N ATOM 793 CA LYS A 47 -2.632 5.219 -4.776 1.00 0.00 C ATOM 794 C LYS A 47 -1.208 5.691 -4.543 1.00 0.00 C ATOM 795 O LYS A 47 -0.304 4.877 -4.713 1.00 0.00 O ATOM 796 CB LYS A 47 -2.991 5.351 -6.264 1.00 0.00 C ATOM 797 CG LYS A 47 -4.081 6.338 -6.537 1.00 0.00 C ATOM 798 CD LYS A 47 -5.458 5.683 -6.638 1.00 0.00 C ATOM 799 CE LYS A 47 -5.639 4.922 -7.966 1.00 0.00 C ATOM 800 NZ LYS A 47 -7.052 4.572 -8.238 1.00 0.00 N ATOM 0 H LYS A 47 -4.450 6.090 -4.134 1.00 0.00 H new ATOM 0 HA LYS A 47 -2.696 4.148 -4.582 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -2.100 5.645 -6.818 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -3.294 4.375 -6.643 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -4.096 7.085 -5.744 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -3.864 6.864 -7.467 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -5.594 4.994 -5.804 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -6.230 6.447 -6.550 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -5.256 5.532 -8.784 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -5.042 4.011 -7.942 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -7.115 4.062 -9.142 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -7.413 3.967 -7.473 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -7.621 5.441 -8.290 1.00 0.00 H new ATOM 814 N ARG A 48 -0.985 6.947 -4.153 1.00 0.00 N ATOM 815 CA ARG A 48 0.383 7.456 -3.969 1.00 0.00 C ATOM 816 C ARG A 48 1.122 6.625 -2.921 1.00 0.00 C ATOM 817 O ARG A 48 2.322 6.369 -3.039 1.00 0.00 O ATOM 818 CB ARG A 48 0.335 8.962 -3.614 1.00 0.00 C ATOM 819 CG ARG A 48 0.396 9.279 -2.110 1.00 0.00 C ATOM 820 CD ARG A 48 -0.109 10.665 -1.705 1.00 0.00 C ATOM 821 NE ARG A 48 0.219 10.968 -0.297 1.00 0.00 N ATOM 822 CZ ARG A 48 -0.149 10.298 0.808 1.00 0.00 C ATOM 823 NH1 ARG A 48 -0.968 9.259 0.741 1.00 0.00 N ATOM 824 NH2 ARG A 48 0.295 10.679 2.000 1.00 0.00 N ATOM 0 H ARG A 48 -1.721 7.626 -3.959 1.00 0.00 H new ATOM 0 HA ARG A 48 0.944 7.358 -4.898 1.00 0.00 H new ATOM 0 HB2 ARG A 48 1.167 9.463 -4.109 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -0.582 9.387 -4.022 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -0.187 8.529 -1.575 1.00 0.00 H new ATOM 0 HG3 ARG A 48 1.429 9.177 -1.777 1.00 0.00 H new ATOM 0 HD2 ARG A 48 0.335 11.420 -2.354 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -1.188 10.717 -1.848 1.00 0.00 H new ATOM 0 HE ARG A 48 0.800 11.792 -0.144 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -1.332 8.954 -0.162 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -1.235 8.764 1.592 1.00 0.00 H new ATOM 0 HH21 ARG A 48 0.918 11.483 2.079 1.00 0.00 H new ATOM 0 HH22 ARG A 48 0.013 10.168 2.836 1.00 0.00 H new ATOM 838 N ASP A 49 0.385 6.213 -1.894 1.00 0.00 N ATOM 839 CA ASP A 49 0.890 5.499 -0.741 1.00 0.00 C ATOM 840 C ASP A 49 0.879 4.030 -1.049 1.00 0.00 C ATOM 841 O ASP A 49 1.803 3.360 -0.632 1.00 0.00 O ATOM 842 CB ASP A 49 -0.004 5.748 0.470 1.00 0.00 C ATOM 843 CG ASP A 49 0.725 6.290 1.693 1.00 0.00 C ATOM 844 OD1 ASP A 49 1.902 6.700 1.588 1.00 0.00 O ATOM 845 OD2 ASP A 49 0.100 6.253 2.775 1.00 0.00 O ATOM 0 H ASP A 49 -0.621 6.377 -1.847 1.00 0.00 H new ATOM 0 HA ASP A 49 1.900 5.844 -0.518 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -0.788 6.451 0.189 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -0.496 4.814 0.741 1.00 0.00 H new ATOM 850 N ILE A 50 -0.084 3.515 -1.816 1.00 0.00 N ATOM 851 CA ILE A 50 -0.026 2.126 -2.245 1.00 0.00 C ATOM 852 C ILE A 50 1.246 1.999 -3.038 1.00 0.00 C ATOM 853 O ILE A 50 2.093 1.209 -2.677 1.00 0.00 O ATOM 854 CB ILE A 50 -1.274 1.634 -3.014 1.00 0.00 C ATOM 855 CG1 ILE A 50 -2.251 1.064 -1.985 1.00 0.00 C ATOM 856 CG2 ILE A 50 -0.997 0.478 -3.994 1.00 0.00 C ATOM 857 CD1 ILE A 50 -3.046 2.145 -1.272 1.00 0.00 C ATOM 0 H ILE A 50 -0.899 4.033 -2.146 1.00 0.00 H new ATOM 0 HA ILE A 50 -0.024 1.468 -1.376 1.00 0.00 H new ATOM 0 HB ILE A 50 -1.643 2.488 -3.581 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -2.939 0.381 -2.483 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -1.698 0.480 -1.249 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -1.924 0.193 -4.492 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -0.269 0.799 -4.739 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -0.602 -0.377 -3.446 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -3.723 1.684 -0.553 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -2.363 2.814 -0.749 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -3.623 2.713 -2.002 1.00 0.00 H new ATOM 869 N ALA A 51 1.472 2.823 -4.047 1.00 0.00 N ATOM 870 CA ALA A 51 2.656 2.705 -4.869 1.00 0.00 C ATOM 871 C ALA A 51 3.953 3.063 -4.112 1.00 0.00 C ATOM 872 O ALA A 51 5.038 2.883 -4.659 1.00 0.00 O ATOM 873 CB ALA A 51 2.439 3.588 -6.098 1.00 0.00 C ATOM 0 H ALA A 51 0.846 3.583 -4.314 1.00 0.00 H new ATOM 0 HA ALA A 51 2.797 1.666 -5.166 1.00 0.00 H new ATOM 0 HB1 ALA A 51 3.312 3.528 -6.748 1.00 0.00 H new ATOM 0 HB2 ALA A 51 1.558 3.245 -6.641 1.00 0.00 H new ATOM 0 HB3 ALA A 51 2.292 4.621 -5.782 1.00 0.00 H new ATOM 879 N ARG A 52 3.876 3.530 -2.862 1.00 0.00 N ATOM 880 CA ARG A 52 4.990 3.623 -1.912 1.00 0.00 C ATOM 881 C ARG A 52 5.110 2.332 -1.090 1.00 0.00 C ATOM 882 O ARG A 52 6.139 1.662 -1.113 1.00 0.00 O ATOM 883 CB ARG A 52 4.751 4.901 -1.072 1.00 0.00 C ATOM 884 CG ARG A 52 5.803 5.271 -0.025 1.00 0.00 C ATOM 885 CD ARG A 52 5.503 4.733 1.374 1.00 0.00 C ATOM 886 NE ARG A 52 4.428 5.460 2.104 1.00 0.00 N ATOM 887 CZ ARG A 52 4.304 5.651 3.435 1.00 0.00 C ATOM 888 NH1 ARG A 52 5.193 5.160 4.296 1.00 0.00 N ATOM 889 NH2 ARG A 52 3.265 6.322 3.911 1.00 0.00 N ATOM 0 H ARG A 52 2.998 3.868 -2.467 1.00 0.00 H new ATOM 0 HA ARG A 52 5.956 3.714 -2.410 1.00 0.00 H new ATOM 0 HB2 ARG A 52 4.653 5.741 -1.760 1.00 0.00 H new ATOM 0 HB3 ARG A 52 3.794 4.793 -0.562 1.00 0.00 H new ATOM 0 HG2 ARG A 52 6.772 4.892 -0.349 1.00 0.00 H new ATOM 0 HG3 ARG A 52 5.886 6.357 0.024 1.00 0.00 H new ATOM 0 HD2 ARG A 52 5.221 3.683 1.292 1.00 0.00 H new ATOM 0 HD3 ARG A 52 6.417 4.773 1.967 1.00 0.00 H new ATOM 0 HE ARG A 52 3.692 5.865 1.525 1.00 0.00 H new ATOM 0 HH11 ARG A 52 5.992 4.625 3.955 1.00 0.00 H new ATOM 0 HH12 ARG A 52 5.075 5.319 5.297 1.00 0.00 H new ATOM 0 HH21 ARG A 52 2.561 6.693 3.272 1.00 0.00 H new ATOM 0 HH22 ARG A 52 3.169 6.468 4.916 1.00 0.00 H new ATOM 903 N ILE A 53 4.068 1.961 -0.365 1.00 0.00 N ATOM 904 CA ILE A 53 3.972 0.780 0.476 1.00 0.00 C ATOM 905 C ILE A 53 4.107 -0.509 -0.318 1.00 0.00 C ATOM 906 O ILE A 53 4.984 -1.324 -0.038 1.00 0.00 O ATOM 907 CB ILE A 53 2.675 0.930 1.296 1.00 0.00 C ATOM 908 CG1 ILE A 53 2.741 2.150 2.247 1.00 0.00 C ATOM 909 CG2 ILE A 53 2.479 -0.280 2.181 1.00 0.00 C ATOM 910 CD1 ILE A 53 1.481 2.989 2.317 1.00 0.00 C ATOM 0 H ILE A 53 3.211 2.513 -0.347 1.00 0.00 H new ATOM 0 HA ILE A 53 4.809 0.704 1.170 1.00 0.00 H new ATOM 0 HB ILE A 53 1.864 1.048 0.578 1.00 0.00 H new ATOM 0 HG12 ILE A 53 2.977 1.795 3.250 1.00 0.00 H new ATOM 0 HG13 ILE A 53 3.566 2.790 1.933 1.00 0.00 H new ATOM 0 HG21 ILE A 53 1.560 -0.165 2.756 1.00 0.00 H new ATOM 0 HG22 ILE A 53 2.411 -1.175 1.563 1.00 0.00 H new ATOM 0 HG23 ILE A 53 3.325 -0.373 2.862 1.00 0.00 H new ATOM 0 HD11 ILE A 53 1.633 3.816 3.010 1.00 0.00 H new ATOM 0 HD12 ILE A 53 1.250 3.382 1.327 1.00 0.00 H new ATOM 0 HD13 ILE A 53 0.652 2.372 2.664 1.00 0.00 H new ATOM 922 N LYS A 54 3.278 -0.720 -1.325 1.00 0.00 N ATOM 923 CA LYS A 54 3.348 -1.908 -2.153 1.00 0.00 C ATOM 924 C LYS A 54 4.721 -2.022 -2.824 1.00 0.00 C ATOM 925 O LYS A 54 5.196 -3.134 -3.030 1.00 0.00 O ATOM 926 CB LYS A 54 2.157 -1.959 -3.141 1.00 0.00 C ATOM 927 CG LYS A 54 2.396 -1.147 -4.428 1.00 0.00 C ATOM 928 CD LYS A 54 3.112 -1.924 -5.537 1.00 0.00 C ATOM 929 CE LYS A 54 2.559 -1.470 -6.892 1.00 0.00 C ATOM 930 NZ LYS A 54 3.519 -1.692 -7.982 1.00 0.00 N ATOM 0 H LYS A 54 2.537 -0.071 -1.591 1.00 0.00 H new ATOM 0 HA LYS A 54 3.250 -2.794 -1.525 1.00 0.00 H new ATOM 0 HB2 LYS A 54 1.959 -2.997 -3.407 1.00 0.00 H new ATOM 0 HB3 LYS A 54 1.264 -1.582 -2.642 1.00 0.00 H new ATOM 0 HG2 LYS A 54 1.436 -0.797 -4.807 1.00 0.00 H new ATOM 0 HG3 LYS A 54 2.983 -0.262 -4.182 1.00 0.00 H new ATOM 0 HD2 LYS A 54 4.186 -1.747 -5.489 1.00 0.00 H new ATOM 0 HD3 LYS A 54 2.959 -2.995 -5.407 1.00 0.00 H new ATOM 0 HE2 LYS A 54 1.637 -2.010 -7.106 1.00 0.00 H new ATOM 0 HE3 LYS A 54 2.305 -0.411 -6.843 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 3.105 -1.371 -8.880 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 4.390 -1.157 -7.792 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 3.743 -2.706 -8.047 1.00 0.00 H new ATOM 944 N THR A 55 5.369 -0.890 -3.122 1.00 0.00 N ATOM 945 CA THR A 55 6.730 -0.859 -3.616 1.00 0.00 C ATOM 946 C THR A 55 7.660 -1.492 -2.596 1.00 0.00 C ATOM 947 O THR A 55 8.382 -2.396 -2.983 1.00 0.00 O ATOM 948 CB THR A 55 7.106 0.578 -3.983 1.00 0.00 C ATOM 949 OG1 THR A 55 6.570 0.833 -5.259 1.00 0.00 O ATOM 950 CG2 THR A 55 8.600 0.897 -3.901 1.00 0.00 C ATOM 0 H THR A 55 4.950 0.034 -3.022 1.00 0.00 H new ATOM 0 HA THR A 55 6.826 -1.449 -4.527 1.00 0.00 H new ATOM 0 HB THR A 55 6.680 1.247 -3.236 1.00 0.00 H new ATOM 0 HG1 THR A 55 5.790 1.421 -5.175 1.00 0.00 H new ATOM 0 HG21 THR A 55 8.766 1.938 -4.179 1.00 0.00 H new ATOM 0 HG22 THR A 55 8.952 0.733 -2.882 1.00 0.00 H new ATOM 0 HG23 THR A 55 9.149 0.247 -4.583 1.00 0.00 H new ATOM 958 N ILE A 56 7.640 -1.075 -1.324 1.00 0.00 N ATOM 959 CA ILE A 56 8.524 -1.625 -0.287 1.00 0.00 C ATOM 960 C ILE A 56 8.441 -3.147 -0.282 1.00 0.00 C ATOM 961 O ILE A 56 9.483 -3.798 -0.233 1.00 0.00 O ATOM 962 CB ILE A 56 8.198 -1.044 1.104 1.00 0.00 C ATOM 963 CG1 ILE A 56 8.709 0.404 1.214 1.00 0.00 C ATOM 964 CG2 ILE A 56 8.761 -1.923 2.239 1.00 0.00 C ATOM 965 CD1 ILE A 56 10.127 0.562 1.769 1.00 0.00 C ATOM 0 H ILE A 56 7.011 -0.347 -0.984 1.00 0.00 H new ATOM 0 HA ILE A 56 9.547 -1.333 -0.522 1.00 0.00 H new ATOM 0 HB ILE A 56 7.114 -1.037 1.217 1.00 0.00 H new ATOM 0 HG12 ILE A 56 8.672 0.860 0.225 1.00 0.00 H new ATOM 0 HG13 ILE A 56 8.024 0.965 1.850 1.00 0.00 H new ATOM 0 HG21 ILE A 56 8.510 -1.479 3.202 1.00 0.00 H new ATOM 0 HG22 ILE A 56 8.327 -2.921 2.175 1.00 0.00 H new ATOM 0 HG23 ILE A 56 9.845 -1.991 2.143 1.00 0.00 H new ATOM 0 HD11 ILE A 56 10.388 1.620 1.805 1.00 0.00 H new ATOM 0 HD12 ILE A 56 10.173 0.143 2.774 1.00 0.00 H new ATOM 0 HD13 ILE A 56 10.831 0.036 1.124 1.00 0.00 H new ATOM 977 N LEU A 57 7.220 -3.691 -0.336 1.00 0.00 N ATOM 978 CA LEU A 57 7.009 -5.127 -0.445 1.00 0.00 C ATOM 979 C LEU A 57 7.817 -5.657 -1.627 1.00 0.00 C ATOM 980 O LEU A 57 8.672 -6.513 -1.444 1.00 0.00 O ATOM 981 CB LEU A 57 5.524 -5.468 -0.517 1.00 0.00 C ATOM 982 CG LEU A 57 5.231 -6.850 0.083 1.00 0.00 C ATOM 983 CD1 LEU A 57 5.946 -8.017 -0.585 1.00 0.00 C ATOM 984 CD2 LEU A 57 5.416 -6.870 1.601 1.00 0.00 C ATOM 0 H LEU A 57 6.358 -3.146 -0.305 1.00 0.00 H new ATOM 0 HA LEU A 57 7.369 -5.628 0.454 1.00 0.00 H new ATOM 0 HB2 LEU A 57 4.950 -4.710 0.016 1.00 0.00 H new ATOM 0 HB3 LEU A 57 5.195 -5.445 -1.556 1.00 0.00 H new ATOM 0 HG LEU A 57 4.176 -7.013 -0.137 1.00 0.00 H new ATOM 0 HD11 LEU A 57 5.671 -8.946 -0.086 1.00 0.00 H new ATOM 0 HD12 LEU A 57 5.656 -8.069 -1.634 1.00 0.00 H new ATOM 0 HD13 LEU A 57 7.024 -7.872 -0.513 1.00 0.00 H new ATOM 0 HD21 LEU A 57 5.198 -7.868 1.981 1.00 0.00 H new ATOM 0 HD22 LEU A 57 6.445 -6.606 1.846 1.00 0.00 H new ATOM 0 HD23 LEU A 57 4.738 -6.151 2.060 1.00 0.00 H new ATOM 996 N ARG A 58 7.632 -5.095 -2.823 1.00 0.00 N ATOM 997 CA ARG A 58 8.372 -5.502 -4.006 1.00 0.00 C ATOM 998 C ARG A 58 9.879 -5.443 -3.822 1.00 0.00 C ATOM 999 O ARG A 58 10.551 -6.405 -4.169 1.00 0.00 O ATOM 1000 CB ARG A 58 7.954 -4.685 -5.223 1.00 0.00 C ATOM 1001 CG ARG A 58 7.686 -5.641 -6.394 1.00 0.00 C ATOM 1002 CD ARG A 58 8.827 -6.603 -6.762 1.00 0.00 C ATOM 1003 NE ARG A 58 8.498 -7.271 -8.032 1.00 0.00 N ATOM 1004 CZ ARG A 58 8.779 -6.815 -9.262 1.00 0.00 C ATOM 1005 NH1 ARG A 58 9.667 -5.841 -9.457 1.00 0.00 N ATOM 1006 NH2 ARG A 58 8.143 -7.334 -10.303 1.00 0.00 N ATOM 0 H ARG A 58 6.963 -4.344 -2.993 1.00 0.00 H new ATOM 0 HA ARG A 58 8.117 -6.548 -4.173 1.00 0.00 H new ATOM 0 HB2 ARG A 58 7.060 -4.104 -4.998 1.00 0.00 H new ATOM 0 HB3 ARG A 58 8.737 -3.975 -5.488 1.00 0.00 H new ATOM 0 HG2 ARG A 58 6.802 -6.233 -6.157 1.00 0.00 H new ATOM 0 HG3 ARG A 58 7.444 -5.045 -7.274 1.00 0.00 H new ATOM 0 HD2 ARG A 58 9.765 -6.056 -6.856 1.00 0.00 H new ATOM 0 HD3 ARG A 58 8.966 -7.342 -5.973 1.00 0.00 H new ATOM 0 HE ARG A 58 8.010 -8.165 -7.971 1.00 0.00 H new ATOM 0 HH11 ARG A 58 10.150 -5.425 -8.661 1.00 0.00 H new ATOM 0 HH12 ARG A 58 9.863 -5.512 -10.402 1.00 0.00 H new ATOM 0 HH21 ARG A 58 7.451 -8.070 -10.163 1.00 0.00 H new ATOM 0 HH22 ARG A 58 8.346 -6.997 -11.244 1.00 0.00 H new ATOM 1020 N GLU A 59 10.409 -4.330 -3.320 1.00 0.00 N ATOM 1021 CA GLU A 59 11.836 -4.146 -3.049 1.00 0.00 C ATOM 1022 C GLU A 59 12.340 -5.316 -2.204 1.00 0.00 C ATOM 1023 O GLU A 59 13.388 -5.901 -2.478 1.00 0.00 O ATOM 1024 CB GLU A 59 12.105 -2.785 -2.365 1.00 0.00 C ATOM 1025 CG GLU A 59 11.497 -1.598 -3.117 1.00 0.00 C ATOM 1026 CD GLU A 59 12.215 -0.254 -2.938 1.00 0.00 C ATOM 1027 OE1 GLU A 59 12.853 -0.006 -1.890 1.00 0.00 O ATOM 1028 OE2 GLU A 59 12.034 0.644 -3.787 1.00 0.00 O ATOM 0 H GLU A 59 9.847 -3.512 -3.085 1.00 0.00 H new ATOM 0 HA GLU A 59 12.384 -4.133 -3.991 1.00 0.00 H new ATOM 0 HB2 GLU A 59 11.702 -2.809 -1.352 1.00 0.00 H new ATOM 0 HB3 GLU A 59 13.181 -2.637 -2.277 1.00 0.00 H new ATOM 0 HG2 GLU A 59 11.476 -1.838 -4.180 1.00 0.00 H new ATOM 0 HG3 GLU A 59 10.462 -1.481 -2.796 1.00 0.00 H new ATOM 1035 N ARG A 60 11.558 -5.692 -1.201 1.00 0.00 N ATOM 1036 CA ARG A 60 11.882 -6.803 -0.321 1.00 0.00 C ATOM 1037 C ARG A 60 11.768 -8.157 -0.993 1.00 0.00 C ATOM 1038 O ARG A 60 12.590 -9.024 -0.690 1.00 0.00 O ATOM 1039 CB ARG A 60 11.030 -6.769 0.949 1.00 0.00 C ATOM 1040 CG ARG A 60 11.583 -5.738 1.929 1.00 0.00 C ATOM 1041 CD ARG A 60 10.863 -5.874 3.269 1.00 0.00 C ATOM 1042 NE ARG A 60 11.795 -5.644 4.381 1.00 0.00 N ATOM 1043 CZ ARG A 60 12.451 -6.613 5.030 1.00 0.00 C ATOM 1044 NH1 ARG A 60 12.454 -7.858 4.576 1.00 0.00 N ATOM 1045 NH2 ARG A 60 13.102 -6.355 6.153 1.00 0.00 N ATOM 0 H ARG A 60 10.676 -5.231 -0.975 1.00 0.00 H new ATOM 0 HA ARG A 60 12.930 -6.672 -0.053 1.00 0.00 H new ATOM 0 HB2 ARG A 60 9.998 -6.524 0.697 1.00 0.00 H new ATOM 0 HB3 ARG A 60 11.019 -7.754 1.415 1.00 0.00 H new ATOM 0 HG2 ARG A 60 12.655 -5.886 2.063 1.00 0.00 H new ATOM 0 HG3 ARG A 60 11.447 -4.732 1.531 1.00 0.00 H new ATOM 0 HD2 ARG A 60 10.042 -5.159 3.321 1.00 0.00 H new ATOM 0 HD3 ARG A 60 10.425 -6.869 3.354 1.00 0.00 H new ATOM 0 HE ARG A 60 11.953 -4.681 4.678 1.00 0.00 H new ATOM 0 HH11 ARG A 60 11.951 -8.090 3.719 1.00 0.00 H new ATOM 0 HH12 ARG A 60 12.959 -8.585 5.083 1.00 0.00 H new ATOM 0 HH21 ARG A 60 13.108 -5.409 6.533 1.00 0.00 H new ATOM 0 HH22 ARG A 60 13.598 -7.103 6.638 1.00 0.00 H new ATOM 1059 N GLU A 61 10.810 -8.313 -1.900 1.00 0.00 N ATOM 1060 CA GLU A 61 10.525 -9.575 -2.562 1.00 0.00 C ATOM 1061 C GLU A 61 11.800 -10.081 -3.226 1.00 0.00 C ATOM 1062 O GLU A 61 12.126 -11.249 -3.025 1.00 0.00 O ATOM 1063 CB GLU A 61 9.374 -9.496 -3.583 1.00 0.00 C ATOM 1064 CG GLU A 61 7.993 -9.208 -2.991 1.00 0.00 C ATOM 1065 CD GLU A 61 6.866 -9.994 -3.649 1.00 0.00 C ATOM 1066 OE1 GLU A 61 6.888 -11.242 -3.596 1.00 0.00 O ATOM 1067 OE2 GLU A 61 5.919 -9.363 -4.177 1.00 0.00 O ATOM 0 H GLU A 61 10.201 -7.551 -2.199 1.00 0.00 H new ATOM 0 HA GLU A 61 10.185 -10.274 -1.797 1.00 0.00 H new ATOM 0 HB2 GLU A 61 9.608 -8.719 -4.310 1.00 0.00 H new ATOM 0 HB3 GLU A 61 9.328 -10.439 -4.128 1.00 0.00 H new ATOM 0 HG2 GLU A 61 8.010 -9.438 -1.926 1.00 0.00 H new ATOM 0 HG3 GLU A 61 7.783 -8.143 -3.084 1.00 0.00 H new ATOM 1074 N LEU A 62 12.514 -9.231 -3.985 1.00 0.00 N ATOM 1075 CA LEU A 62 13.722 -9.660 -4.673 1.00 0.00 C ATOM 1076 C LEU A 62 14.950 -9.555 -3.772 1.00 0.00 C ATOM 1077 O LEU A 62 15.886 -10.332 -3.945 1.00 0.00 O ATOM 1078 CB LEU A 62 13.996 -8.826 -5.930 1.00 0.00 C ATOM 1079 CG LEU A 62 12.816 -8.226 -6.721 1.00 0.00 C ATOM 1080 CD1 LEU A 62 11.496 -8.999 -6.762 1.00 0.00 C ATOM 1081 CD2 LEU A 62 12.671 -6.746 -6.380 1.00 0.00 C ATOM 0 H LEU A 62 12.269 -8.252 -4.131 1.00 0.00 H new ATOM 0 HA LEU A 62 13.547 -10.699 -4.951 1.00 0.00 H new ATOM 0 HB2 LEU A 62 14.645 -8.001 -5.638 1.00 0.00 H new ATOM 0 HB3 LEU A 62 14.565 -9.451 -6.618 1.00 0.00 H new ATOM 0 HG LEU A 62 13.100 -8.338 -7.767 1.00 0.00 H new ATOM 0 HD11 LEU A 62 10.769 -8.446 -7.357 1.00 0.00 H new ATOM 0 HD12 LEU A 62 11.662 -9.978 -7.211 1.00 0.00 H new ATOM 0 HD13 LEU A 62 11.116 -9.124 -5.748 1.00 0.00 H new ATOM 0 HD21 LEU A 62 11.837 -6.324 -6.940 1.00 0.00 H new ATOM 0 HD22 LEU A 62 12.484 -6.635 -5.312 1.00 0.00 H new ATOM 0 HD23 LEU A 62 13.588 -6.220 -6.644 1.00 0.00 H new ATOM 1093 N GLY A 63 14.976 -8.599 -2.836 1.00 0.00 N ATOM 1094 CA GLY A 63 16.068 -8.449 -1.879 1.00 0.00 C ATOM 1095 C GLY A 63 16.731 -7.071 -1.863 1.00 0.00 C ATOM 1096 O GLY A 63 17.756 -6.897 -1.206 1.00 0.00 O ATOM 0 H GLY A 63 14.235 -7.907 -2.724 1.00 0.00 H new ATOM 0 HA2 GLY A 63 15.688 -8.664 -0.880 1.00 0.00 H new ATOM 0 HA3 GLY A 63 16.828 -9.199 -2.098 1.00 0.00 H new ATOM 1100 N ILE A 64 16.167 -6.065 -2.535 1.00 0.00 N ATOM 1101 CA ILE A 64 16.671 -4.703 -2.577 1.00 0.00 C ATOM 1102 C ILE A 64 16.715 -4.098 -1.168 1.00 0.00 C ATOM 1103 O ILE A 64 17.565 -3.264 -0.843 1.00 0.00 O ATOM 1104 CB ILE A 64 15.747 -3.897 -3.529 1.00 0.00 C ATOM 1105 CG1 ILE A 64 15.706 -4.494 -4.957 1.00 0.00 C ATOM 1106 CG2 ILE A 64 16.136 -2.418 -3.572 1.00 0.00 C ATOM 1107 CD1 ILE A 64 14.686 -3.849 -5.899 1.00 0.00 C ATOM 0 H ILE A 64 15.316 -6.188 -3.083 1.00 0.00 H new ATOM 0 HA ILE A 64 17.694 -4.676 -2.951 1.00 0.00 H new ATOM 0 HB ILE A 64 14.741 -3.973 -3.117 1.00 0.00 H new ATOM 0 HG12 ILE A 64 16.697 -4.402 -5.401 1.00 0.00 H new ATOM 0 HG13 ILE A 64 15.487 -5.559 -4.883 1.00 0.00 H new ATOM 0 HG21 ILE A 64 15.467 -1.885 -4.248 1.00 0.00 H new ATOM 0 HG22 ILE A 64 16.056 -1.991 -2.572 1.00 0.00 H new ATOM 0 HG23 ILE A 64 17.162 -2.322 -3.926 1.00 0.00 H new ATOM 0 HD11 ILE A 64 14.733 -4.335 -6.874 1.00 0.00 H new ATOM 0 HD12 ILE A 64 13.685 -3.963 -5.484 1.00 0.00 H new ATOM 0 HD13 ILE A 64 14.913 -2.789 -6.011 1.00 0.00 H new