USER MOD reduce.3.24.130724 H: found=0, std=0, add=746, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 746 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 23 GLN : amide:sc= -1.25! K(o=-0.7!,f=-1.6) USER MOD Set 1.2: A 57 HIS : no HE2:sc= 0.547 K(o=-0.7,f=-8.1!) USER MOD Set 2.1: A 14 SER OG : rot 118:sc= 1.2 USER MOD Set 2.2: A 67 SER OG : rot 83:sc= 2.12 USER MOD Single : A 17 SER OG : rot -102:sc= 0.419 USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot -160:sc= 1.02 USER MOD Single : A 33 HIS : no HE2:sc= 0.6 K(o=0.6,f=-2!) USER MOD Single : A 35 SER OG : rot 149:sc= 1.32 USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 ASN : amide:sc= -0.712 K(o=-0.71,f=-10!) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 THR OG1 : rot -11:sc= 0.34 USER MOD Single : A 42 GLN : amide:sc= 0.982 K(o=0.98,f=0) USER MOD Single : A 46 GLN : amide:sc= -0.119 X(o=-0.12,f=-0.27) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 ASN : amide:sc= 0.937 K(o=0.94,f=-8.4!) USER MOD Single : A 60 THR OG1 : rot 180:sc= 0.0583 USER MOD Single : A 63 LYS NZ :NH3+ -151:sc= 1.06 (180deg=0.582) USER MOD Single : A 65 ASN : amide:sc= -0.0633 K(o=-0.063,f=-2.2!) USER MOD Single : A 69 ASN : amide:sc= -0.247 K(o=-0.25,f=-2.5!) USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 88 ASN : amide:sc=-0.00883 X(o=-0.0088,f=-0.39) USER MOD Single : A 93 TYR OH : rot 180:sc= -0.259 USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 96 THR OG1 : rot 180:sc= 0 USER MOD Single : A 97 ASN : amide:sc= -0.0337 K(o=-0.034,f=-1.4!) USER MOD Single : A 98 ASN : amide:sc= 1.16 K(o=1.2,f=0) USER MOD Single : A 100 THR OG1 : rot 180:sc= 0 USER MOD Single : A 103 MET CE :methyl -159:sc= -0.0549 (180deg=-0.569) USER MOD Single : A 105 THR OG1 : rot 180:sc= 0 USER MOD Single : A 106 TYR OH : rot -101:sc= 0.0424 USER MOD Single : A 110 THR OG1 : rot 180:sc= 0 USER MOD Single : A 112 ASN : amide:sc= 1.09 K(o=1.1,f=-12!) USER MOD Single : A 113 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 ASN : amide:sc= 0.768 K(o=0.77,f=-11!) USER MOD Single : A 115 ASN : amide:sc= 0.385 K(o=0.39,f=-15!) USER MOD Single : A 118 SER OG : rot 180:sc= 0.0974 USER MOD Single : A 123 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 125 THR OG1 : rot 96:sc= 1.23 USER MOD Single : A 127 LYS NZ :NH3+ -177:sc= 0.988 (180deg=0.982) USER MOD ----------------------------------------------------------------- ATOM 16 N SER A 14 3.193 1.869 0.591 1.00 0.00 N ATOM 17 CA SER A 14 3.771 3.163 0.934 1.00 0.00 C ATOM 18 C SER A 14 4.151 3.945 -0.316 1.00 0.00 C ATOM 19 O SER A 14 4.149 5.176 -0.315 1.00 0.00 O ATOM 20 CB SER A 14 4.992 2.973 1.813 1.00 0.00 C ATOM 21 OG SER A 14 6.023 2.337 1.110 1.00 0.00 O ATOM 0 HA SER A 14 3.019 3.733 1.479 1.00 0.00 H new ATOM 0 HB2 SER A 14 5.338 3.941 2.175 1.00 0.00 H new ATOM 0 HB3 SER A 14 4.725 2.381 2.689 1.00 0.00 H new ATOM 0 HG SER A 14 6.801 2.931 1.062 1.00 0.00 H new ATOM 27 N TRP A 15 4.478 3.224 -1.383 1.00 0.00 N ATOM 28 CA TRP A 15 4.928 3.848 -2.622 1.00 0.00 C ATOM 29 C TRP A 15 3.832 4.710 -3.235 1.00 0.00 C ATOM 30 O TRP A 15 4.106 5.602 -4.036 1.00 0.00 O ATOM 31 CB TRP A 15 5.365 2.781 -3.628 1.00 0.00 C ATOM 32 CG TRP A 15 4.233 1.949 -4.148 1.00 0.00 C ATOM 33 CD1 TRP A 15 3.858 0.715 -3.705 1.00 0.00 C ATOM 34 CD2 TRP A 15 3.316 2.287 -5.217 1.00 0.00 C ATOM 35 NE1 TRP A 15 2.778 0.264 -4.422 1.00 0.00 N ATOM 36 CE2 TRP A 15 2.432 1.214 -5.350 1.00 0.00 C ATOM 37 CE3 TRP A 15 3.178 3.398 -6.057 1.00 0.00 C ATOM 38 CZ2 TRP A 15 1.417 1.212 -6.295 1.00 0.00 C ATOM 39 CZ3 TRP A 15 2.160 3.398 -7.003 1.00 0.00 C ATOM 40 CH2 TRP A 15 1.302 2.333 -7.118 1.00 0.00 C ATOM 0 H TRP A 15 4.440 2.205 -1.415 1.00 0.00 H new ATOM 0 HA TRP A 15 5.777 4.488 -2.381 1.00 0.00 H new ATOM 0 HB2 TRP A 15 5.863 3.267 -4.467 1.00 0.00 H new ATOM 0 HB3 TRP A 15 6.099 2.127 -3.156 1.00 0.00 H new ATOM 0 HD1 TRP A 15 4.341 0.172 -2.906 1.00 0.00 H new ATOM 0 HE1 TRP A 15 2.309 -0.632 -4.287 1.00 0.00 H new ATOM 0 HE3 TRP A 15 3.850 4.239 -5.972 1.00 0.00 H new ATOM 0 HZ2 TRP A 15 0.741 0.375 -6.390 1.00 0.00 H new ATOM 0 HZ3 TRP A 15 2.042 4.249 -7.658 1.00 0.00 H new ATOM 0 HH2 TRP A 15 0.520 2.363 -7.862 1.00 0.00 H new ATOM 51 N VAL A 16 2.589 4.437 -2.852 1.00 0.00 N ATOM 52 CA VAL A 16 1.447 5.180 -3.372 1.00 0.00 C ATOM 53 C VAL A 16 1.510 6.646 -2.960 1.00 0.00 C ATOM 54 O VAL A 16 1.030 7.523 -3.678 1.00 0.00 O ATOM 55 CB VAL A 16 0.131 4.563 -2.864 1.00 0.00 C ATOM 56 CG1 VAL A 16 -1.054 5.430 -3.263 1.00 0.00 C ATOM 57 CG2 VAL A 16 -0.024 3.152 -3.410 1.00 0.00 C ATOM 0 H VAL A 16 2.347 3.706 -2.183 1.00 0.00 H new ATOM 0 HA VAL A 16 1.481 5.121 -4.460 1.00 0.00 H new ATOM 0 HB VAL A 16 0.161 4.514 -1.776 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -1.975 4.978 -2.895 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -0.940 6.424 -2.831 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -1.097 5.510 -4.349 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -0.957 2.722 -3.046 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -0.039 3.183 -4.499 1.00 0.00 H new ATOM 0 HG23 VAL A 16 0.813 2.539 -3.076 1.00 0.00 H new ATOM 67 N SER A 17 2.104 6.904 -1.800 1.00 0.00 N ATOM 68 CA SER A 17 2.161 8.254 -1.252 1.00 0.00 C ATOM 69 C SER A 17 3.023 9.164 -2.118 1.00 0.00 C ATOM 70 O SER A 17 2.951 10.388 -2.010 1.00 0.00 O ATOM 71 CB SER A 17 2.707 8.220 0.162 1.00 0.00 C ATOM 72 OG SER A 17 1.809 7.588 1.032 1.00 0.00 O ATOM 0 H SER A 17 2.553 6.195 -1.221 1.00 0.00 H new ATOM 0 HA SER A 17 1.148 8.655 -1.239 1.00 0.00 H new ATOM 0 HB2 SER A 17 3.662 7.694 0.174 1.00 0.00 H new ATOM 0 HB3 SER A 17 2.898 9.236 0.506 1.00 0.00 H new ATOM 0 HG SER A 17 1.330 8.264 1.555 1.00 0.00 H new ATOM 78 N CYS A 18 3.837 8.559 -2.976 1.00 0.00 N ATOM 79 CA CYS A 18 4.693 9.314 -3.883 1.00 0.00 C ATOM 80 C CYS A 18 3.881 9.954 -5.001 1.00 0.00 C ATOM 81 O CYS A 18 4.330 10.905 -5.641 1.00 0.00 O ATOM 82 CB CYS A 18 5.763 8.408 -4.491 1.00 0.00 C ATOM 83 SG CYS A 18 6.923 7.721 -3.285 1.00 0.00 S ATOM 0 H CYS A 18 3.922 7.546 -3.062 1.00 0.00 H new ATOM 0 HA CYS A 18 5.172 10.101 -3.301 1.00 0.00 H new ATOM 0 HB2 CYS A 18 5.273 7.588 -5.016 1.00 0.00 H new ATOM 0 HB3 CYS A 18 6.323 8.974 -5.236 1.00 0.00 H new ATOM 88 N LEU A 19 2.683 9.428 -5.231 1.00 0.00 N ATOM 89 CA LEU A 19 1.798 9.959 -6.262 1.00 0.00 C ATOM 90 C LEU A 19 0.633 10.724 -5.648 1.00 0.00 C ATOM 91 O LEU A 19 -0.029 11.512 -6.323 1.00 0.00 O ATOM 92 CB LEU A 19 1.265 8.820 -7.140 1.00 0.00 C ATOM 93 CG LEU A 19 2.326 8.001 -7.886 1.00 0.00 C ATOM 94 CD1 LEU A 19 1.650 6.880 -8.663 1.00 0.00 C ATOM 95 CD2 LEU A 19 3.112 8.915 -8.815 1.00 0.00 C ATOM 0 H LEU A 19 2.302 8.634 -4.717 1.00 0.00 H new ATOM 0 HA LEU A 19 2.376 10.650 -6.876 1.00 0.00 H new ATOM 0 HB2 LEU A 19 0.685 8.143 -6.512 1.00 0.00 H new ATOM 0 HB3 LEU A 19 0.577 9.242 -7.873 1.00 0.00 H new ATOM 0 HG LEU A 19 3.021 7.555 -7.174 1.00 0.00 H new ATOM 0 HD11 LEU A 19 2.404 6.298 -9.193 1.00 0.00 H new ATOM 0 HD12 LEU A 19 1.111 6.232 -7.972 1.00 0.00 H new ATOM 0 HD13 LEU A 19 0.950 7.306 -9.381 1.00 0.00 H new ATOM 0 HD21 LEU A 19 3.866 8.333 -9.345 1.00 0.00 H new ATOM 0 HD22 LEU A 19 2.434 9.372 -9.535 1.00 0.00 H new ATOM 0 HD23 LEU A 19 3.600 9.695 -8.231 1.00 0.00 H new ATOM 107 N ASP A 20 0.387 10.487 -4.364 1.00 0.00 N ATOM 108 CA ASP A 20 -0.671 11.186 -3.645 1.00 0.00 C ATOM 109 C ASP A 20 -0.357 12.671 -3.512 1.00 0.00 C ATOM 110 O ASP A 20 0.800 13.082 -3.600 1.00 0.00 O ATOM 111 CB ASP A 20 -0.870 10.574 -2.256 1.00 0.00 C ATOM 112 CG ASP A 20 -1.541 9.208 -2.301 1.00 0.00 C ATOM 113 OD1 ASP A 20 -2.179 8.914 -3.284 1.00 0.00 O ATOM 114 OD2 ASP A 20 -1.409 8.473 -1.352 1.00 0.00 O1- ATOM 0 H ASP A 20 0.907 9.815 -3.799 1.00 0.00 H new ATOM 0 HA ASP A 20 -1.591 11.077 -4.220 1.00 0.00 H new ATOM 0 HB2 ASP A 20 0.098 10.482 -1.763 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -1.473 11.250 -1.650 1.00 0.00 H new ATOM 119 N PRO A 21 -1.395 13.473 -3.299 1.00 0.00 N ATOM 120 CA PRO A 21 -1.237 14.918 -3.188 1.00 0.00 C ATOM 121 C PRO A 21 -0.290 15.282 -2.052 1.00 0.00 C ATOM 122 O PRO A 21 -0.220 14.583 -1.041 1.00 0.00 O ATOM 123 CB PRO A 21 -2.664 15.401 -2.911 1.00 0.00 C ATOM 124 CG PRO A 21 -3.530 14.354 -3.525 1.00 0.00 C ATOM 125 CD PRO A 21 -2.804 13.063 -3.255 1.00 0.00 C ATOM 0 HA PRO A 21 -0.800 15.374 -4.076 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -2.852 15.496 -1.842 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -2.847 16.380 -3.355 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -4.525 14.351 -3.081 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -3.659 14.522 -4.594 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -3.073 12.641 -2.287 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -3.030 12.306 -4.006 1.00 0.00 H new ATOM 133 N GLU A 22 0.436 16.381 -2.223 1.00 0.00 N ATOM 134 CA GLU A 22 1.422 16.810 -1.238 1.00 0.00 C ATOM 135 C GLU A 22 0.789 16.978 0.137 1.00 0.00 C ATOM 136 O GLU A 22 -0.265 17.599 0.275 1.00 0.00 O ATOM 137 CB GLU A 22 2.076 18.123 -1.673 1.00 0.00 C ATOM 138 CG GLU A 22 3.148 18.637 -0.723 1.00 0.00 C ATOM 139 CD GLU A 22 4.375 17.767 -0.701 1.00 0.00 C ATOM 140 OE1 GLU A 22 4.649 17.134 -1.692 1.00 0.00 O ATOM 141 OE2 GLU A 22 5.038 17.737 0.309 1.00 0.00 O1- ATOM 0 H GLU A 22 0.360 16.992 -3.036 1.00 0.00 H new ATOM 0 HA GLU A 22 2.186 16.035 -1.173 1.00 0.00 H new ATOM 0 HB2 GLU A 22 2.518 17.985 -2.660 1.00 0.00 H new ATOM 0 HB3 GLU A 22 1.302 18.884 -1.774 1.00 0.00 H new ATOM 0 HG2 GLU A 22 3.431 19.648 -1.015 1.00 0.00 H new ATOM 0 HG3 GLU A 22 2.735 18.700 0.284 1.00 0.00 H new ATOM 148 N GLN A 23 1.438 16.420 1.154 1.00 0.00 N ATOM 149 CA GLN A 23 1.053 16.669 2.538 1.00 0.00 C ATOM 150 C GLN A 23 1.359 18.105 2.945 1.00 0.00 C ATOM 151 O GLN A 23 2.487 18.575 2.799 1.00 0.00 O ATOM 152 CB GLN A 23 1.769 15.696 3.478 1.00 0.00 C ATOM 153 CG GLN A 23 1.460 15.910 4.949 1.00 0.00 C ATOM 154 CD GLN A 23 0.057 15.464 5.316 1.00 0.00 C ATOM 155 OE1 GLN A 23 -0.351 14.339 5.014 1.00 0.00 O ATOM 156 NE2 GLN A 23 -0.690 16.345 5.972 1.00 0.00 N ATOM 0 H GLN A 23 2.234 15.792 1.045 1.00 0.00 H new ATOM 0 HA GLN A 23 -0.023 16.512 2.616 1.00 0.00 H new ATOM 0 HB2 GLN A 23 1.495 14.677 3.205 1.00 0.00 H new ATOM 0 HB3 GLN A 23 2.845 15.788 3.327 1.00 0.00 H new ATOM 0 HG2 GLN A 23 2.182 15.361 5.553 1.00 0.00 H new ATOM 0 HG3 GLN A 23 1.578 16.966 5.192 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -0.312 17.264 6.201 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -1.642 16.102 6.247 1.00 0.00 H new ATOM 165 N VAL A 24 0.347 18.798 3.456 1.00 0.00 N ATOM 166 CA VAL A 24 0.500 20.191 3.861 1.00 0.00 C ATOM 167 C VAL A 24 1.218 20.299 5.200 1.00 0.00 C ATOM 168 O VAL A 24 0.917 19.561 6.138 1.00 0.00 O ATOM 169 CB VAL A 24 -0.878 20.871 3.964 1.00 0.00 C ATOM 170 CG1 VAL A 24 -0.738 22.274 4.537 1.00 0.00 C ATOM 171 CG2 VAL A 24 -1.540 20.912 2.595 1.00 0.00 C ATOM 0 H VAL A 24 -0.589 18.418 3.600 1.00 0.00 H new ATOM 0 HA VAL A 24 1.100 20.693 3.102 1.00 0.00 H new ATOM 0 HB VAL A 24 -1.508 20.291 4.639 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -1.721 22.740 4.603 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -0.295 22.218 5.532 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -0.097 22.870 3.887 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -2.514 21.394 2.676 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -0.913 21.475 1.904 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -1.668 19.896 2.222 1.00 0.00 H new ATOM 181 N THR A 25 2.169 21.223 5.282 1.00 0.00 N ATOM 182 CA THR A 25 2.985 21.377 6.481 1.00 0.00 C ATOM 183 C THR A 25 2.268 22.214 7.532 1.00 0.00 C ATOM 184 O THR A 25 1.216 22.794 7.265 1.00 0.00 O ATOM 185 CB THR A 25 4.344 22.020 6.147 1.00 0.00 C ATOM 186 OG1 THR A 25 4.140 23.362 5.686 1.00 0.00 O ATOM 187 CG2 THR A 25 5.061 21.222 5.069 1.00 0.00 C ATOM 0 H THR A 25 2.394 21.877 4.532 1.00 0.00 H new ATOM 0 HA THR A 25 3.156 20.379 6.885 1.00 0.00 H new ATOM 0 HB THR A 25 4.957 22.027 7.048 1.00 0.00 H new ATOM 0 HG1 THR A 25 5.005 23.771 5.475 1.00 0.00 H new ATOM 0 HG21 THR A 25 6.019 21.691 4.846 1.00 0.00 H new ATOM 0 HG22 THR A 25 5.228 20.204 5.421 1.00 0.00 H new ATOM 0 HG23 THR A 25 4.450 21.198 4.167 1.00 0.00 H new ATOM 195 N CYS A 26 2.844 22.273 8.728 1.00 0.00 N ATOM 196 CA CYS A 26 2.218 22.969 9.846 1.00 0.00 C ATOM 197 C CYS A 26 3.012 24.209 10.236 1.00 0.00 C ATOM 198 O CYS A 26 4.190 24.335 9.901 1.00 0.00 O ATOM 199 CB CYS A 26 2.100 22.044 11.057 1.00 0.00 C ATOM 200 SG CYS A 26 1.189 20.515 10.733 1.00 0.00 S ATOM 0 H CYS A 26 3.744 21.847 8.948 1.00 0.00 H new ATOM 0 HA CYS A 26 1.222 23.275 9.525 1.00 0.00 H new ATOM 0 HB2 CYS A 26 3.101 21.791 11.406 1.00 0.00 H new ATOM 0 HB3 CYS A 26 1.607 22.583 11.866 1.00 0.00 H new ATOM 263 N GLY A 31 7.349 19.124 15.434 1.00 0.00 N ATOM 264 CA GLY A 31 7.467 17.823 14.786 1.00 0.00 C ATOM 265 C GLY A 31 8.063 17.956 13.390 1.00 0.00 C ATOM 266 O GLY A 31 8.472 19.042 12.980 1.00 0.00 O ATOM 0 HA2 GLY A 31 8.094 17.168 15.391 1.00 0.00 H new ATOM 0 HA3 GLY A 31 6.485 17.355 14.722 1.00 0.00 H new ATOM 270 N THR A 32 8.109 16.844 12.664 1.00 0.00 N ATOM 271 CA THR A 32 8.699 16.824 11.331 1.00 0.00 C ATOM 272 C THR A 32 8.181 15.645 10.517 1.00 0.00 C ATOM 273 O THR A 32 7.727 14.646 11.074 1.00 0.00 O ATOM 274 CB THR A 32 10.236 16.767 11.405 1.00 0.00 C ATOM 275 OG1 THR A 32 10.785 16.894 10.087 1.00 0.00 O ATOM 276 CG2 THR A 32 10.691 15.450 12.014 1.00 0.00 C ATOM 0 H THR A 32 7.744 15.944 12.977 1.00 0.00 H new ATOM 0 HA THR A 32 8.405 17.749 10.834 1.00 0.00 H new ATOM 0 HB THR A 32 10.586 17.587 12.033 1.00 0.00 H new ATOM 0 HG1 THR A 32 11.704 16.554 10.081 1.00 0.00 H new ATOM 0 HG21 THR A 32 11.780 15.427 12.059 1.00 0.00 H new ATOM 0 HG22 THR A 32 10.284 15.355 13.021 1.00 0.00 H new ATOM 0 HG23 THR A 32 10.335 14.623 11.400 1.00 0.00 H new ATOM 284 N HIS A 33 8.252 15.768 9.196 1.00 0.00 N ATOM 285 CA HIS A 33 7.837 14.692 8.303 1.00 0.00 C ATOM 286 C HIS A 33 8.448 14.859 6.918 1.00 0.00 C ATOM 287 O HIS A 33 8.756 15.973 6.495 1.00 0.00 O ATOM 288 CB HIS A 33 6.310 14.641 8.191 1.00 0.00 C ATOM 289 CG HIS A 33 5.708 15.878 7.600 1.00 0.00 C ATOM 290 ND1 HIS A 33 5.431 17.001 8.351 1.00 0.00 N ATOM 291 CD2 HIS A 33 5.329 16.168 6.334 1.00 0.00 C ATOM 292 CE1 HIS A 33 4.909 17.930 7.569 1.00 0.00 C ATOM 293 NE2 HIS A 33 4.836 17.449 6.341 1.00 0.00 N ATOM 0 H HIS A 33 8.593 16.603 8.720 1.00 0.00 H new ATOM 0 HA HIS A 33 8.195 13.755 8.729 1.00 0.00 H new ATOM 0 HB2 HIS A 33 6.028 13.783 7.581 1.00 0.00 H new ATOM 0 HB3 HIS A 33 5.887 14.480 9.183 1.00 0.00 H new ATOM 0 HD1 HIS A 33 5.602 17.099 9.352 1.00 0.00 H new ATOM 0 HD2 HIS A 33 5.401 15.514 5.478 1.00 0.00 H new ATOM 0 HE1 HIS A 33 4.595 18.915 7.881 1.00 0.00 H new ATOM 301 N ALA A 34 8.621 13.745 6.215 1.00 0.00 N ATOM 302 CA ALA A 34 9.189 13.766 4.873 1.00 0.00 C ATOM 303 C ALA A 34 8.104 13.630 3.813 1.00 0.00 C ATOM 304 O ALA A 34 7.002 13.158 4.096 1.00 0.00 O ATOM 305 CB ALA A 34 10.223 12.660 4.717 1.00 0.00 C ATOM 0 H ALA A 34 8.375 12.815 6.554 1.00 0.00 H new ATOM 0 HA ALA A 34 9.679 14.729 4.731 1.00 0.00 H new ATOM 0 HB1 ALA A 34 10.638 12.689 3.709 1.00 0.00 H new ATOM 0 HB2 ALA A 34 11.023 12.805 5.443 1.00 0.00 H new ATOM 0 HB3 ALA A 34 9.750 11.693 4.887 1.00 0.00 H new ATOM 311 N SER A 35 8.421 14.045 2.591 1.00 0.00 N ATOM 312 CA SER A 35 7.494 13.914 1.473 1.00 0.00 C ATOM 313 C SER A 35 8.233 13.917 0.142 1.00 0.00 C ATOM 314 O SER A 35 9.363 14.397 0.049 1.00 0.00 O ATOM 315 CB SER A 35 6.480 15.042 1.501 1.00 0.00 C ATOM 316 OG SER A 35 7.095 16.276 1.253 1.00 0.00 O ATOM 0 H SER A 35 9.314 14.475 2.350 1.00 0.00 H new ATOM 0 HA SER A 35 6.977 12.960 1.575 1.00 0.00 H new ATOM 0 HB2 SER A 35 5.707 14.860 0.754 1.00 0.00 H new ATOM 0 HB3 SER A 35 5.985 15.067 2.472 1.00 0.00 H new ATOM 0 HG SER A 35 6.464 16.870 0.794 1.00 0.00 H new ATOM 322 N TYR A 36 7.589 13.379 -0.888 1.00 0.00 N ATOM 323 CA TYR A 36 8.180 13.330 -2.220 1.00 0.00 C ATOM 324 C TYR A 36 7.775 14.544 -3.047 1.00 0.00 C ATOM 325 O TYR A 36 6.606 14.709 -3.394 1.00 0.00 O ATOM 326 CB TYR A 36 7.775 12.041 -2.939 1.00 0.00 C ATOM 327 CG TYR A 36 8.395 11.885 -4.309 1.00 0.00 C ATOM 328 CD1 TYR A 36 9.775 11.910 -4.453 1.00 0.00 C ATOM 329 CD2 TYR A 36 7.585 11.717 -5.422 1.00 0.00 C ATOM 330 CE1 TYR A 36 10.342 11.768 -5.705 1.00 0.00 C ATOM 331 CE2 TYR A 36 8.152 11.575 -6.674 1.00 0.00 C ATOM 332 CZ TYR A 36 9.524 11.600 -6.817 1.00 0.00 C ATOM 333 OH TYR A 36 10.089 11.458 -8.064 1.00 0.00 O ATOM 0 H TYR A 36 6.657 12.970 -0.826 1.00 0.00 H new ATOM 0 HA TYR A 36 9.264 13.344 -2.105 1.00 0.00 H new ATOM 0 HB2 TYR A 36 8.059 11.188 -2.323 1.00 0.00 H new ATOM 0 HB3 TYR A 36 6.690 12.016 -3.037 1.00 0.00 H new ATOM 0 HD1 TYR A 36 10.406 12.040 -3.586 1.00 0.00 H new ATOM 0 HD2 TYR A 36 6.511 11.697 -5.310 1.00 0.00 H new ATOM 0 HE1 TYR A 36 11.416 11.787 -5.820 1.00 0.00 H new ATOM 0 HE2 TYR A 36 7.521 11.444 -7.541 1.00 0.00 H new ATOM 0 HH TYR A 36 9.381 11.349 -8.733 1.00 0.00 H new ATOM 343 N ASN A 37 8.749 15.393 -3.358 1.00 0.00 N ATOM 344 CA ASN A 37 8.492 16.606 -4.124 1.00 0.00 C ATOM 345 C ASN A 37 8.572 16.340 -5.622 1.00 0.00 C ATOM 346 O ASN A 37 9.653 16.371 -6.210 1.00 0.00 O ATOM 347 CB ASN A 37 9.460 17.705 -3.724 1.00 0.00 C ATOM 348 CG ASN A 37 9.156 19.015 -4.396 1.00 0.00 C ATOM 349 OD1 ASN A 37 8.758 19.049 -5.566 1.00 0.00 O ATOM 350 ND2 ASN A 37 9.337 20.095 -3.679 1.00 0.00 N ATOM 0 H ASN A 37 9.725 15.263 -3.091 1.00 0.00 H new ATOM 0 HA ASN A 37 7.479 16.937 -3.897 1.00 0.00 H new ATOM 0 HB2 ASN A 37 9.426 17.839 -2.643 1.00 0.00 H new ATOM 0 HB3 ASN A 37 10.476 17.399 -3.975 1.00 0.00 H new ATOM 0 HD21 ASN A 37 9.148 21.013 -4.082 1.00 0.00 H new ATOM 0 HD22 ASN A 37 9.667 20.019 -2.717 1.00 0.00 H new ATOM 357 N ARG A 38 7.422 16.080 -6.234 1.00 0.00 N ATOM 358 CA ARG A 38 7.375 15.653 -7.627 1.00 0.00 C ATOM 359 C ARG A 38 7.861 16.757 -8.558 1.00 0.00 C ATOM 360 O ARG A 38 8.371 16.486 -9.644 1.00 0.00 O ATOM 361 CB ARG A 38 5.960 15.252 -8.017 1.00 0.00 C ATOM 362 CG ARG A 38 5.477 13.943 -7.413 1.00 0.00 C ATOM 363 CD ARG A 38 4.202 13.493 -8.027 1.00 0.00 C ATOM 364 NE ARG A 38 3.097 14.377 -7.692 1.00 0.00 N ATOM 365 CZ ARG A 38 2.342 14.271 -6.581 1.00 0.00 C ATOM 366 NH1 ARG A 38 2.585 13.317 -5.710 1.00 0.00 N1+ ATOM 367 NH2 ARG A 38 1.358 15.127 -6.367 1.00 0.00 N ATOM 0 H ARG A 38 6.509 16.158 -5.786 1.00 0.00 H new ATOM 0 HA ARG A 38 8.036 14.792 -7.728 1.00 0.00 H new ATOM 0 HB2 ARG A 38 5.277 16.047 -7.718 1.00 0.00 H new ATOM 0 HB3 ARG A 38 5.905 15.176 -9.103 1.00 0.00 H new ATOM 0 HG2 ARG A 38 6.238 13.175 -7.551 1.00 0.00 H new ATOM 0 HG3 ARG A 38 5.340 14.066 -6.339 1.00 0.00 H new ATOM 0 HD2 ARG A 38 4.316 13.449 -9.110 1.00 0.00 H new ATOM 0 HD3 ARG A 38 3.973 12.482 -7.689 1.00 0.00 H new ATOM 0 HE ARG A 38 2.878 15.130 -8.344 1.00 0.00 H new ATOM 0 HH11 ARG A 38 3.345 12.657 -5.875 1.00 0.00 H new ATOM 0 HH12 ARG A 38 2.014 13.237 -4.869 1.00 0.00 H new ATOM 0 HH21 ARG A 38 1.170 15.868 -7.043 1.00 0.00 H new ATOM 0 HH22 ARG A 38 0.786 15.047 -5.526 1.00 0.00 H new ATOM 381 N LYS A 39 7.700 18.003 -8.124 1.00 0.00 N ATOM 382 CA LYS A 39 8.101 19.151 -8.928 1.00 0.00 C ATOM 383 C LYS A 39 9.615 19.208 -9.089 1.00 0.00 C ATOM 384 O LYS A 39 10.126 19.801 -10.040 1.00 0.00 O ATOM 385 CB LYS A 39 7.590 20.449 -8.300 1.00 0.00 C ATOM 386 CG LYS A 39 6.079 20.626 -8.363 1.00 0.00 C ATOM 387 CD LYS A 39 5.647 21.930 -7.709 1.00 0.00 C ATOM 388 CE LYS A 39 4.138 22.109 -7.774 1.00 0.00 C ATOM 389 NZ LYS A 39 3.697 23.363 -7.105 1.00 0.00 N1+ ATOM 0 H LYS A 39 7.294 18.243 -7.219 1.00 0.00 H new ATOM 0 HA LYS A 39 7.657 19.037 -9.917 1.00 0.00 H new ATOM 0 HB2 LYS A 39 7.904 20.482 -7.257 1.00 0.00 H new ATOM 0 HB3 LYS A 39 8.064 21.292 -8.802 1.00 0.00 H new ATOM 0 HG2 LYS A 39 5.752 20.613 -9.403 1.00 0.00 H new ATOM 0 HG3 LYS A 39 5.592 19.788 -7.865 1.00 0.00 H new ATOM 0 HD2 LYS A 39 5.972 21.942 -6.669 1.00 0.00 H new ATOM 0 HD3 LYS A 39 6.136 22.768 -8.206 1.00 0.00 H new ATOM 0 HE2 LYS A 39 3.819 22.122 -8.816 1.00 0.00 H new ATOM 0 HE3 LYS A 39 3.651 21.256 -7.302 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 2.663 23.447 -7.172 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 3.979 23.340 -6.104 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 4.141 24.180 -7.571 1.00 0.00 H new ATOM 403 N THR A 40 10.328 18.589 -8.155 1.00 0.00 N ATOM 404 CA THR A 40 11.785 18.542 -8.209 1.00 0.00 C ATOM 405 C THR A 40 12.278 17.142 -8.551 1.00 0.00 C ATOM 406 O THR A 40 13.387 16.971 -9.058 1.00 0.00 O ATOM 407 CB THR A 40 12.404 18.997 -6.874 1.00 0.00 C ATOM 408 OG1 THR A 40 11.981 18.117 -5.824 1.00 0.00 O ATOM 409 CG2 THR A 40 11.973 20.418 -6.544 1.00 0.00 C ATOM 0 H THR A 40 9.921 18.112 -7.350 1.00 0.00 H new ATOM 0 HA THR A 40 12.101 19.227 -8.996 1.00 0.00 H new ATOM 0 HB THR A 40 13.490 18.969 -6.965 1.00 0.00 H new ATOM 0 HG1 THR A 40 11.267 17.533 -6.155 1.00 0.00 H new ATOM 0 HG21 THR A 40 12.420 20.723 -5.598 1.00 0.00 H new ATOM 0 HG22 THR A 40 12.303 21.091 -7.335 1.00 0.00 H new ATOM 0 HG23 THR A 40 10.887 20.459 -6.463 1.00 0.00 H new ATOM 417 N GLY A 41 11.449 16.142 -8.269 1.00 0.00 N ATOM 418 CA GLY A 41 11.786 14.758 -8.579 1.00 0.00 C ATOM 419 C GLY A 41 12.664 14.149 -7.494 1.00 0.00 C ATOM 420 O GLY A 41 13.539 13.330 -7.776 1.00 0.00 O ATOM 0 H GLY A 41 10.538 16.265 -7.826 1.00 0.00 H new ATOM 0 HA2 GLY A 41 10.872 14.173 -8.682 1.00 0.00 H new ATOM 0 HA3 GLY A 41 12.303 14.713 -9.537 1.00 0.00 H new ATOM 424 N GLN A 42 12.425 14.552 -6.250 1.00 0.00 N ATOM 425 CA GLN A 42 13.187 14.038 -5.118 1.00 0.00 C ATOM 426 C GLN A 42 12.446 14.266 -3.807 1.00 0.00 C ATOM 427 O GLN A 42 11.534 15.090 -3.733 1.00 0.00 O ATOM 428 CB GLN A 42 14.568 14.696 -5.059 1.00 0.00 C ATOM 429 CG GLN A 42 14.533 16.198 -4.839 1.00 0.00 C ATOM 430 CD GLN A 42 15.922 16.799 -4.726 1.00 0.00 C ATOM 431 OE1 GLN A 42 16.282 17.374 -3.695 1.00 0.00 O ATOM 432 NE2 GLN A 42 16.710 16.669 -5.786 1.00 0.00 N ATOM 0 H GLN A 42 11.709 15.234 -6.000 1.00 0.00 H new ATOM 0 HA GLN A 42 13.310 12.964 -5.260 1.00 0.00 H new ATOM 0 HB2 GLN A 42 15.143 14.236 -4.256 1.00 0.00 H new ATOM 0 HB3 GLN A 42 15.097 14.489 -5.989 1.00 0.00 H new ATOM 0 HG2 GLN A 42 14.002 16.671 -5.665 1.00 0.00 H new ATOM 0 HG3 GLN A 42 13.971 16.416 -3.931 1.00 0.00 H new ATOM 0 HE21 GLN A 42 16.371 16.186 -6.618 1.00 0.00 H new ATOM 0 HE22 GLN A 42 17.655 17.052 -5.769 1.00 0.00 H new ATOM 441 N CYS A 43 12.842 13.530 -2.774 1.00 0.00 N ATOM 442 CA CYS A 43 12.216 13.650 -1.463 1.00 0.00 C ATOM 443 C CYS A 43 12.868 14.755 -0.641 1.00 0.00 C ATOM 444 O CYS A 43 14.023 15.113 -0.870 1.00 0.00 O ATOM 445 CB CYS A 43 12.310 12.330 -0.698 1.00 0.00 C ATOM 446 SG CYS A 43 11.299 11.001 -1.393 1.00 0.00 S ATOM 0 H CYS A 43 13.595 12.843 -2.820 1.00 0.00 H new ATOM 0 HA CYS A 43 11.168 13.902 -1.623 1.00 0.00 H new ATOM 0 HB2 CYS A 43 13.351 12.007 -0.678 1.00 0.00 H new ATOM 0 HB3 CYS A 43 12.008 12.499 0.336 1.00 0.00 H new ATOM 451 N GLU A 44 12.121 15.291 0.318 1.00 0.00 N ATOM 452 CA GLU A 44 12.649 16.304 1.225 1.00 0.00 C ATOM 453 C GLU A 44 11.935 16.265 2.570 1.00 0.00 C ATOM 454 O GLU A 44 10.823 15.747 2.679 1.00 0.00 O ATOM 455 CB GLU A 44 12.514 17.697 0.605 1.00 0.00 C ATOM 456 CG GLU A 44 11.083 18.114 0.300 1.00 0.00 C ATOM 457 CD GLU A 44 10.997 19.441 -0.400 1.00 0.00 C ATOM 458 OE1 GLU A 44 11.998 20.110 -0.491 1.00 0.00 O ATOM 459 OE2 GLU A 44 9.928 19.788 -0.844 1.00 0.00 O1- ATOM 0 H GLU A 44 11.147 15.041 0.488 1.00 0.00 H new ATOM 0 HA GLU A 44 13.704 16.086 1.390 1.00 0.00 H new ATOM 0 HB2 GLU A 44 12.956 18.427 1.283 1.00 0.00 H new ATOM 0 HB3 GLU A 44 13.093 17.728 -0.318 1.00 0.00 H new ATOM 0 HG2 GLU A 44 10.612 17.351 -0.320 1.00 0.00 H new ATOM 0 HG3 GLU A 44 10.518 18.163 1.231 1.00 0.00 H new ATOM 466 N GLU A 45 12.580 16.815 3.593 1.00 0.00 N ATOM 467 CA GLU A 45 12.016 16.827 4.937 1.00 0.00 C ATOM 468 C GLU A 45 11.427 18.191 5.275 1.00 0.00 C ATOM 469 O GLU A 45 12.106 19.213 5.174 1.00 0.00 O ATOM 470 CB GLU A 45 13.084 16.453 5.967 1.00 0.00 C ATOM 471 CG GLU A 45 12.582 16.403 7.403 1.00 0.00 C ATOM 472 CD GLU A 45 13.654 16.016 8.384 1.00 0.00 C ATOM 473 OE1 GLU A 45 14.746 15.725 7.958 1.00 0.00 O ATOM 474 OE2 GLU A 45 13.381 16.012 9.561 1.00 0.00 O1- ATOM 0 H GLU A 45 13.495 17.259 3.516 1.00 0.00 H new ATOM 0 HA GLU A 45 11.214 16.089 4.968 1.00 0.00 H new ATOM 0 HB2 GLU A 45 13.498 15.479 5.706 1.00 0.00 H new ATOM 0 HB3 GLU A 45 13.900 17.174 5.905 1.00 0.00 H new ATOM 0 HG2 GLU A 45 12.181 17.379 7.677 1.00 0.00 H new ATOM 0 HG3 GLU A 45 11.760 15.690 7.471 1.00 0.00 H new ATOM 481 N GLN A 46 10.161 18.200 5.677 1.00 0.00 N ATOM 482 CA GLN A 46 9.492 19.433 6.073 1.00 0.00 C ATOM 483 C GLN A 46 9.199 19.445 7.568 1.00 0.00 C ATOM 484 O GLN A 46 9.328 18.424 8.244 1.00 0.00 O ATOM 485 CB GLN A 46 8.192 19.615 5.284 1.00 0.00 C ATOM 486 CG GLN A 46 8.387 19.729 3.782 1.00 0.00 C ATOM 487 CD GLN A 46 9.136 20.988 3.389 1.00 0.00 C ATOM 488 OE1 GLN A 46 8.733 22.101 3.736 1.00 0.00 O ATOM 489 NE2 GLN A 46 10.234 20.819 2.661 1.00 0.00 N ATOM 0 H GLN A 46 9.577 17.366 5.737 1.00 0.00 H new ATOM 0 HA GLN A 46 10.163 20.262 5.849 1.00 0.00 H new ATOM 0 HB2 GLN A 46 7.533 18.771 5.491 1.00 0.00 H new ATOM 0 HB3 GLN A 46 7.685 20.511 5.642 1.00 0.00 H new ATOM 0 HG2 GLN A 46 8.934 18.857 3.422 1.00 0.00 H new ATOM 0 HG3 GLN A 46 7.414 19.720 3.291 1.00 0.00 H new ATOM 0 HE21 GLN A 46 10.531 19.880 2.396 1.00 0.00 H new ATOM 0 HE22 GLN A 46 10.780 21.628 2.367 1.00 0.00 H new ATOM 498 N LYS A 47 8.803 20.606 8.079 1.00 0.00 N ATOM 499 CA LYS A 47 8.503 20.756 9.498 1.00 0.00 C ATOM 500 C LYS A 47 7.001 20.756 9.746 1.00 0.00 C ATOM 501 O LYS A 47 6.227 21.258 8.930 1.00 0.00 O ATOM 502 CB LYS A 47 9.127 22.041 10.044 1.00 0.00 C ATOM 503 CG LYS A 47 10.650 22.062 10.018 1.00 0.00 C ATOM 504 CD LYS A 47 11.194 23.373 10.565 1.00 0.00 C ATOM 505 CE LYS A 47 12.715 23.395 10.540 1.00 0.00 C ATOM 506 NZ LYS A 47 13.262 24.685 11.041 1.00 0.00 N1+ ATOM 0 H LYS A 47 8.682 21.458 7.531 1.00 0.00 H new ATOM 0 HA LYS A 47 8.934 19.903 10.022 1.00 0.00 H new ATOM 0 HB2 LYS A 47 8.754 22.886 9.465 1.00 0.00 H new ATOM 0 HB3 LYS A 47 8.791 22.186 11.071 1.00 0.00 H new ATOM 0 HG2 LYS A 47 11.037 21.231 10.607 1.00 0.00 H new ATOM 0 HG3 LYS A 47 11.000 21.919 8.996 1.00 0.00 H new ATOM 0 HD2 LYS A 47 10.807 24.204 9.975 1.00 0.00 H new ATOM 0 HD3 LYS A 47 10.843 23.516 11.587 1.00 0.00 H new ATOM 0 HE2 LYS A 47 13.099 22.577 11.149 1.00 0.00 H new ATOM 0 HE3 LYS A 47 13.063 23.225 9.521 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 14.301 24.658 11.007 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 12.916 25.464 10.445 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 12.951 24.836 12.022 1.00 0.00 H new ATOM 520 N GLY A 48 6.593 20.192 10.878 1.00 0.00 N ATOM 521 CA GLY A 48 5.182 20.137 11.242 1.00 0.00 C ATOM 522 C GLY A 48 4.728 18.701 11.470 1.00 0.00 C ATOM 523 O GLY A 48 5.470 17.756 11.208 1.00 0.00 O ATOM 0 H GLY A 48 7.221 19.766 11.560 1.00 0.00 H new ATOM 0 HA2 GLY A 48 5.014 20.722 12.146 1.00 0.00 H new ATOM 0 HA3 GLY A 48 4.582 20.590 10.453 1.00 0.00 H new ATOM 527 N THR A 49 3.503 18.545 11.961 1.00 0.00 N ATOM 528 CA THR A 49 2.960 17.225 12.259 1.00 0.00 C ATOM 529 C THR A 49 1.816 16.874 11.316 1.00 0.00 C ATOM 530 O THR A 49 0.854 16.215 11.710 1.00 0.00 O ATOM 531 CB THR A 49 2.471 17.143 13.717 1.00 0.00 C ATOM 532 OG1 THR A 49 1.488 18.160 13.952 1.00 0.00 O ATOM 533 CG2 THR A 49 3.632 17.334 14.681 1.00 0.00 C ATOM 0 H THR A 49 2.867 19.317 12.161 1.00 0.00 H new ATOM 0 HA THR A 49 3.766 16.505 12.116 1.00 0.00 H new ATOM 0 HB THR A 49 2.033 16.159 13.882 1.00 0.00 H new ATOM 0 HG1 THR A 49 1.176 18.106 14.880 1.00 0.00 H new ATOM 0 HG21 THR A 49 3.267 17.273 15.706 1.00 0.00 H new ATOM 0 HG22 THR A 49 4.376 16.555 14.513 1.00 0.00 H new ATOM 0 HG23 THR A 49 4.086 18.311 14.515 1.00 0.00 H new ATOM 541 N GLU A 50 1.928 17.318 10.068 1.00 0.00 N ATOM 542 CA GLU A 50 0.961 16.958 9.038 1.00 0.00 C ATOM 543 C GLU A 50 -0.383 17.631 9.285 1.00 0.00 C ATOM 544 O GLU A 50 -1.199 17.142 10.067 1.00 0.00 O ATOM 545 CB GLU A 50 0.780 15.439 8.984 1.00 0.00 C ATOM 546 CG GLU A 50 2.045 14.667 8.638 1.00 0.00 C ATOM 547 CD GLU A 50 1.852 13.177 8.682 1.00 0.00 C ATOM 548 OE1 GLU A 50 0.749 12.747 8.919 1.00 0.00 O ATOM 549 OE2 GLU A 50 2.809 12.468 8.480 1.00 0.00 O1- ATOM 0 H GLU A 50 2.679 17.928 9.746 1.00 0.00 H new ATOM 0 HA GLU A 50 1.348 17.307 8.081 1.00 0.00 H new ATOM 0 HB2 GLU A 50 0.412 15.095 9.950 1.00 0.00 H new ATOM 0 HB3 GLU A 50 0.012 15.203 8.248 1.00 0.00 H new ATOM 0 HG2 GLU A 50 2.379 14.956 7.642 1.00 0.00 H new ATOM 0 HG3 GLU A 50 2.837 14.946 9.333 1.00 0.00 H new ATOM 556 N CYS A 51 -0.609 18.755 8.613 1.00 0.00 N ATOM 557 CA CYS A 51 -1.827 19.531 8.806 1.00 0.00 C ATOM 558 C CYS A 51 -2.620 19.644 7.511 1.00 0.00 C ATOM 559 O CYS A 51 -2.679 20.710 6.898 1.00 0.00 O ATOM 560 CB CYS A 51 -1.496 20.933 9.318 1.00 0.00 C ATOM 561 SG CYS A 51 -0.773 20.963 10.976 1.00 0.00 S ATOM 0 H CYS A 51 0.037 19.149 7.929 1.00 0.00 H new ATOM 0 HA CYS A 51 -2.434 19.008 9.545 1.00 0.00 H new ATOM 0 HB2 CYS A 51 -0.804 21.408 8.623 1.00 0.00 H new ATOM 0 HB3 CYS A 51 -2.407 21.532 9.320 1.00 0.00 H new ATOM 566 N GLY A 52 -3.230 18.538 7.098 1.00 0.00 N ATOM 567 CA GLY A 52 -4.094 18.531 5.924 1.00 0.00 C ATOM 568 C GLY A 52 -3.306 18.204 4.662 1.00 0.00 C ATOM 569 O GLY A 52 -2.093 18.001 4.711 1.00 0.00 O ATOM 0 H GLY A 52 -3.141 17.633 7.560 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -4.890 17.798 6.059 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -4.572 19.504 5.815 1.00 0.00 H new ATOM 573 N GLY A 53 -4.002 18.156 3.531 1.00 0.00 N ATOM 574 CA GLY A 53 -3.374 17.826 2.258 1.00 0.00 C ATOM 575 C GLY A 53 -3.651 16.380 1.865 1.00 0.00 C ATOM 576 O GLY A 53 -4.671 15.808 2.248 1.00 0.00 O ATOM 0 H GLY A 53 -5.003 18.342 3.471 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -3.747 18.494 1.482 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -2.298 17.987 2.328 1.00 0.00 H new ATOM 580 N GLY A 54 -2.737 15.795 1.099 1.00 0.00 N ATOM 581 CA GLY A 54 -2.875 14.411 0.663 1.00 0.00 C ATOM 582 C GLY A 54 -2.143 13.461 1.603 1.00 0.00 C ATOM 583 O GLY A 54 -1.863 13.803 2.752 1.00 0.00 O ATOM 0 H GLY A 54 -1.891 16.259 0.767 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -3.931 14.144 0.622 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -2.479 14.304 -0.347 1.00 0.00 H new ATOM 587 N GLU A 55 -1.836 12.267 1.108 1.00 0.00 N ATOM 588 CA GLU A 55 -1.169 11.252 1.915 1.00 0.00 C ATOM 589 C GLU A 55 0.317 11.178 1.589 1.00 0.00 C ATOM 590 O GLU A 55 1.005 10.238 1.990 1.00 0.00 O ATOM 591 CB GLU A 55 -1.818 9.884 1.695 1.00 0.00 C ATOM 592 CG GLU A 55 -3.274 9.802 2.129 1.00 0.00 C ATOM 593 CD GLU A 55 -3.452 9.968 3.613 1.00 0.00 C ATOM 594 OE1 GLU A 55 -2.673 9.415 4.351 1.00 0.00 O ATOM 595 OE2 GLU A 55 -4.369 10.649 4.009 1.00 0.00 O1- ATOM 0 H GLU A 55 -2.039 11.978 0.151 1.00 0.00 H new ATOM 0 HA GLU A 55 -1.277 11.535 2.962 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -1.752 9.630 0.637 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -1.246 9.132 2.239 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -3.846 10.572 1.611 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -3.685 8.840 1.824 1.00 0.00 H new ATOM 602 N ASN A 56 0.808 12.174 0.859 1.00 0.00 N ATOM 603 CA ASN A 56 2.225 12.251 0.521 1.00 0.00 C ATOM 604 C ASN A 56 3.060 12.639 1.734 1.00 0.00 C ATOM 605 O ASN A 56 3.468 13.792 1.875 1.00 0.00 O ATOM 606 CB ASN A 56 2.450 13.228 -0.618 1.00 0.00 C ATOM 607 CG ASN A 56 3.875 13.239 -1.097 1.00 0.00 C ATOM 608 OD1 ASN A 56 4.752 12.613 -0.489 1.00 0.00 O ATOM 609 ND2 ASN A 56 4.123 13.937 -2.175 1.00 0.00 N ATOM 0 H ASN A 56 0.245 12.940 0.490 1.00 0.00 H new ATOM 0 HA ASN A 56 2.546 11.261 0.196 1.00 0.00 H new ATOM 0 HB2 ASN A 56 1.793 12.969 -1.449 1.00 0.00 H new ATOM 0 HB3 ASN A 56 2.172 14.230 -0.292 1.00 0.00 H new ATOM 0 HD21 ASN A 56 5.072 13.981 -2.547 1.00 0.00 H new ATOM 0 HD22 ASN A 56 3.368 14.437 -2.643 1.00 0.00 H new ATOM 616 N HIS A 57 3.310 11.671 2.609 1.00 0.00 N ATOM 617 CA HIS A 57 4.141 11.897 3.785 1.00 0.00 C ATOM 618 C HIS A 57 4.830 10.613 4.229 1.00 0.00 C ATOM 619 O HIS A 57 4.300 9.517 4.045 1.00 0.00 O ATOM 620 CB HIS A 57 3.305 12.459 4.939 1.00 0.00 C ATOM 621 CG HIS A 57 2.165 11.575 5.342 1.00 0.00 C ATOM 622 ND1 HIS A 57 0.847 11.908 5.111 1.00 0.00 N ATOM 623 CD2 HIS A 57 2.147 10.372 5.962 1.00 0.00 C ATOM 624 CE1 HIS A 57 0.066 10.946 5.571 1.00 0.00 C ATOM 625 NE2 HIS A 57 0.830 10.003 6.091 1.00 0.00 N ATOM 0 H HIS A 57 2.948 10.721 2.525 1.00 0.00 H new ATOM 0 HA HIS A 57 4.905 12.624 3.511 1.00 0.00 H new ATOM 0 HB2 HIS A 57 3.952 12.618 5.801 1.00 0.00 H new ATOM 0 HB3 HIS A 57 2.913 13.434 4.651 1.00 0.00 H new ATOM 0 HD1 HIS A 57 0.525 12.763 4.656 1.00 0.00 H new ATOM 0 HD2 HIS A 57 3.007 9.808 6.293 1.00 0.00 H new ATOM 0 HE1 HIS A 57 -1.013 10.933 5.529 1.00 0.00 H new ATOM 633 N PHE A 58 6.015 10.754 4.814 1.00 0.00 N ATOM 634 CA PHE A 58 6.807 9.603 5.228 1.00 0.00 C ATOM 635 C PHE A 58 7.458 9.841 6.584 1.00 0.00 C ATOM 636 O PHE A 58 7.655 10.984 6.997 1.00 0.00 O ATOM 637 CB PHE A 58 7.884 9.293 4.187 1.00 0.00 C ATOM 638 CG PHE A 58 7.338 8.997 2.819 1.00 0.00 C ATOM 639 CD1 PHE A 58 7.176 10.012 1.887 1.00 0.00 C ATOM 640 CD2 PHE A 58 6.984 7.705 2.461 1.00 0.00 C ATOM 641 CE1 PHE A 58 6.673 9.741 0.628 1.00 0.00 C ATOM 642 CE2 PHE A 58 6.483 7.431 1.204 1.00 0.00 C ATOM 643 CZ PHE A 58 6.327 8.451 0.286 1.00 0.00 C ATOM 0 H PHE A 58 6.448 11.656 5.012 1.00 0.00 H new ATOM 0 HA PHE A 58 6.133 8.751 5.313 1.00 0.00 H new ATOM 0 HB2 PHE A 58 8.566 10.141 4.120 1.00 0.00 H new ATOM 0 HB3 PHE A 58 8.469 8.439 4.527 1.00 0.00 H new ATOM 0 HD1 PHE A 58 7.446 11.025 2.148 1.00 0.00 H new ATOM 0 HD2 PHE A 58 7.102 6.903 3.175 1.00 0.00 H new ATOM 0 HE1 PHE A 58 6.551 10.540 -0.088 1.00 0.00 H new ATOM 0 HE2 PHE A 58 6.213 6.419 0.939 1.00 0.00 H new ATOM 0 HZ PHE A 58 5.935 8.239 -0.698 1.00 0.00 H new ATOM 653 N GLU A 59 7.791 8.755 7.274 1.00 0.00 N ATOM 654 CA GLU A 59 8.370 8.843 8.609 1.00 0.00 C ATOM 655 C GLU A 59 9.739 9.510 8.572 1.00 0.00 C ATOM 656 O GLU A 59 10.108 10.244 9.490 1.00 0.00 O ATOM 657 CB GLU A 59 8.487 7.451 9.233 1.00 0.00 C ATOM 658 CG GLU A 59 7.155 6.808 9.591 1.00 0.00 C ATOM 659 CD GLU A 59 7.309 5.444 10.204 1.00 0.00 C ATOM 660 OE1 GLU A 59 8.416 4.968 10.276 1.00 0.00 O ATOM 661 OE2 GLU A 59 6.318 4.878 10.602 1.00 0.00 O1- ATOM 0 H GLU A 59 7.669 7.803 6.930 1.00 0.00 H new ATOM 0 HA GLU A 59 7.706 9.454 9.220 1.00 0.00 H new ATOM 0 HB2 GLU A 59 9.017 6.798 8.539 1.00 0.00 H new ATOM 0 HB3 GLU A 59 9.097 7.520 10.134 1.00 0.00 H new ATOM 0 HG2 GLU A 59 6.620 7.455 10.287 1.00 0.00 H new ATOM 0 HG3 GLU A 59 6.542 6.730 8.693 1.00 0.00 H new ATOM 668 N THR A 60 10.489 9.252 7.506 1.00 0.00 N ATOM 669 CA THR A 60 11.809 9.847 7.336 1.00 0.00 C ATOM 670 C THR A 60 12.196 9.917 5.864 1.00 0.00 C ATOM 671 O THR A 60 11.462 9.446 4.996 1.00 0.00 O ATOM 672 CB THR A 60 12.878 9.057 8.114 1.00 0.00 C ATOM 673 OG1 THR A 60 14.108 9.794 8.124 1.00 0.00 O ATOM 674 CG2 THR A 60 13.110 7.698 7.472 1.00 0.00 C ATOM 0 H THR A 60 10.205 8.634 6.746 1.00 0.00 H new ATOM 0 HA THR A 60 11.760 10.860 7.735 1.00 0.00 H new ATOM 0 HB THR A 60 12.527 8.909 9.135 1.00 0.00 H new ATOM 0 HG1 THR A 60 14.787 9.291 8.621 1.00 0.00 H new ATOM 0 HG21 THR A 60 13.868 7.154 8.035 1.00 0.00 H new ATOM 0 HG22 THR A 60 12.179 7.131 7.475 1.00 0.00 H new ATOM 0 HG23 THR A 60 13.449 7.834 6.445 1.00 0.00 H new ATOM 682 N LEU A 61 13.354 10.509 5.590 1.00 0.00 N ATOM 683 CA LEU A 61 13.769 10.781 4.219 1.00 0.00 C ATOM 684 C LEU A 61 14.107 9.492 3.480 1.00 0.00 C ATOM 685 O LEU A 61 13.756 9.324 2.312 1.00 0.00 O ATOM 686 CB LEU A 61 14.984 11.717 4.209 1.00 0.00 C ATOM 687 CG LEU A 61 15.471 12.159 2.823 1.00 0.00 C ATOM 688 CD1 LEU A 61 14.350 12.893 2.100 1.00 0.00 C ATOM 689 CD2 LEU A 61 16.697 13.047 2.975 1.00 0.00 C ATOM 0 H LEU A 61 14.022 10.810 6.300 1.00 0.00 H new ATOM 0 HA LEU A 61 12.936 11.263 3.707 1.00 0.00 H new ATOM 0 HB2 LEU A 61 14.739 12.607 4.789 1.00 0.00 H new ATOM 0 HB3 LEU A 61 15.807 11.219 4.722 1.00 0.00 H new ATOM 0 HG LEU A 61 15.749 11.287 2.231 1.00 0.00 H new ATOM 0 HD11 LEU A 61 14.696 13.207 1.115 1.00 0.00 H new ATOM 0 HD12 LEU A 61 13.493 12.229 1.988 1.00 0.00 H new ATOM 0 HD13 LEU A 61 14.057 13.770 2.678 1.00 0.00 H new ATOM 0 HD21 LEU A 61 17.043 13.361 1.990 1.00 0.00 H new ATOM 0 HD22 LEU A 61 16.439 13.926 3.566 1.00 0.00 H new ATOM 0 HD23 LEU A 61 17.489 12.491 3.478 1.00 0.00 H new ATOM 701 N LEU A 62 14.790 8.583 4.168 1.00 0.00 N ATOM 702 CA LEU A 62 15.232 7.335 3.559 1.00 0.00 C ATOM 703 C LEU A 62 14.046 6.488 3.115 1.00 0.00 C ATOM 704 O LEU A 62 14.095 5.832 2.075 1.00 0.00 O ATOM 705 CB LEU A 62 16.094 6.539 4.548 1.00 0.00 C ATOM 706 CG LEU A 62 17.459 7.153 4.884 1.00 0.00 C ATOM 707 CD1 LEU A 62 18.120 6.347 5.994 1.00 0.00 C ATOM 708 CD2 LEU A 62 18.327 7.177 3.635 1.00 0.00 C ATOM 0 H LEU A 62 15.049 8.688 5.149 1.00 0.00 H new ATOM 0 HA LEU A 62 15.825 7.584 2.679 1.00 0.00 H new ATOM 0 HB2 LEU A 62 15.533 6.417 5.475 1.00 0.00 H new ATOM 0 HB3 LEU A 62 16.255 5.541 4.140 1.00 0.00 H new ATOM 0 HG LEU A 62 17.330 8.178 5.233 1.00 0.00 H new ATOM 0 HD11 LEU A 62 19.090 6.783 6.233 1.00 0.00 H new ATOM 0 HD12 LEU A 62 17.487 6.362 6.881 1.00 0.00 H new ATOM 0 HD13 LEU A 62 18.257 5.317 5.664 1.00 0.00 H new ATOM 0 HD21 LEU A 62 19.297 7.613 3.874 1.00 0.00 H new ATOM 0 HD22 LEU A 62 18.467 6.160 3.270 1.00 0.00 H new ATOM 0 HD23 LEU A 62 17.840 7.775 2.865 1.00 0.00 H new ATOM 720 N LYS A 63 12.982 6.507 3.910 1.00 0.00 N ATOM 721 CA LYS A 63 11.794 5.714 3.618 1.00 0.00 C ATOM 722 C LYS A 63 10.988 6.327 2.479 1.00 0.00 C ATOM 723 O LYS A 63 10.307 5.619 1.737 1.00 0.00 O ATOM 724 CB LYS A 63 10.920 5.578 4.866 1.00 0.00 C ATOM 725 CG LYS A 63 11.504 4.679 5.948 1.00 0.00 C ATOM 726 CD LYS A 63 10.544 4.527 7.118 1.00 0.00 C ATOM 727 CE LYS A 63 11.109 3.597 8.182 1.00 0.00 C ATOM 728 NZ LYS A 63 10.139 3.359 9.284 1.00 0.00 N1+ ATOM 0 H LYS A 63 12.918 7.063 4.762 1.00 0.00 H new ATOM 0 HA LYS A 63 12.124 4.723 3.307 1.00 0.00 H new ATOM 0 HB2 LYS A 63 10.751 6.569 5.286 1.00 0.00 H new ATOM 0 HB3 LYS A 63 9.946 5.187 4.572 1.00 0.00 H new ATOM 0 HG2 LYS A 63 11.727 3.698 5.528 1.00 0.00 H new ATOM 0 HG3 LYS A 63 12.447 5.096 6.301 1.00 0.00 H new ATOM 0 HD2 LYS A 63 10.344 5.505 7.556 1.00 0.00 H new ATOM 0 HD3 LYS A 63 9.591 4.137 6.760 1.00 0.00 H new ATOM 0 HE2 LYS A 63 11.380 2.645 7.725 1.00 0.00 H new ATOM 0 HE3 LYS A 63 12.024 4.026 8.590 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 10.656 3.169 10.166 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 9.541 4.201 9.408 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 9.541 2.541 9.050 1.00 0.00 H new ATOM 742 N CYS A 64 11.071 7.646 2.346 1.00 0.00 N ATOM 743 CA CYS A 64 10.480 8.339 1.208 1.00 0.00 C ATOM 744 C CYS A 64 11.127 7.903 -0.100 1.00 0.00 C ATOM 745 O CYS A 64 10.440 7.507 -1.042 1.00 0.00 O ATOM 746 CB CYS A 64 10.628 9.853 1.364 1.00 0.00 C ATOM 747 SG CYS A 64 9.865 10.811 0.033 1.00 0.00 S ATOM 0 H CYS A 64 11.542 8.257 3.013 1.00 0.00 H new ATOM 0 HA CYS A 64 9.422 8.078 1.181 1.00 0.00 H new ATOM 0 HB2 CYS A 64 10.186 10.154 2.314 1.00 0.00 H new ATOM 0 HB3 CYS A 64 11.688 10.100 1.413 1.00 0.00 H new ATOM 752 N ASN A 65 12.452 7.978 -0.153 1.00 0.00 N ATOM 753 CA ASN A 65 13.197 7.571 -1.338 1.00 0.00 C ATOM 754 C ASN A 65 13.005 6.088 -1.626 1.00 0.00 C ATOM 755 O ASN A 65 12.833 5.686 -2.777 1.00 0.00 O ATOM 756 CB ASN A 65 14.670 7.898 -1.182 1.00 0.00 C ATOM 757 CG ASN A 65 14.957 9.365 -1.348 1.00 0.00 C ATOM 758 OD1 ASN A 65 14.245 10.072 -2.069 1.00 0.00 O ATOM 759 ND2 ASN A 65 15.988 9.836 -0.693 1.00 0.00 N ATOM 0 H ASN A 65 13.033 8.318 0.613 1.00 0.00 H new ATOM 0 HA ASN A 65 12.807 8.131 -2.188 1.00 0.00 H new ATOM 0 HB2 ASN A 65 15.008 7.574 -0.198 1.00 0.00 H new ATOM 0 HB3 ASN A 65 15.244 7.334 -1.917 1.00 0.00 H new ATOM 0 HD21 ASN A 65 16.231 10.824 -0.767 1.00 0.00 H new ATOM 0 HD22 ASN A 65 16.548 9.215 -0.109 1.00 0.00 H new ATOM 766 N GLU A 66 13.035 5.277 -0.574 1.00 0.00 N ATOM 767 CA GLU A 66 12.829 3.840 -0.708 1.00 0.00 C ATOM 768 C GLU A 66 11.465 3.532 -1.311 1.00 0.00 C ATOM 769 O GLU A 66 11.357 2.772 -2.273 1.00 0.00 O ATOM 770 CB GLU A 66 12.964 3.152 0.653 1.00 0.00 C ATOM 771 CG GLU A 66 12.796 1.640 0.613 1.00 0.00 C ATOM 772 CD GLU A 66 12.980 0.995 1.958 1.00 0.00 C ATOM 773 OE1 GLU A 66 13.250 1.699 2.901 1.00 0.00 O ATOM 774 OE2 GLU A 66 12.851 -0.203 2.043 1.00 0.00 O1- ATOM 0 H GLU A 66 13.200 5.591 0.382 1.00 0.00 H new ATOM 0 HA GLU A 66 13.596 3.456 -1.381 1.00 0.00 H new ATOM 0 HB2 GLU A 66 13.944 3.385 1.069 1.00 0.00 H new ATOM 0 HB3 GLU A 66 12.222 3.570 1.333 1.00 0.00 H new ATOM 0 HG2 GLU A 66 11.803 1.400 0.233 1.00 0.00 H new ATOM 0 HG3 GLU A 66 13.516 1.218 -0.088 1.00 0.00 H new ATOM 781 N SER A 67 10.423 4.127 -0.739 1.00 0.00 N ATOM 782 CA SER A 67 9.057 3.871 -1.180 1.00 0.00 C ATOM 783 C SER A 67 8.872 4.245 -2.645 1.00 0.00 C ATOM 784 O SER A 67 8.251 3.508 -3.410 1.00 0.00 O ATOM 785 CB SER A 67 8.078 4.649 -0.323 1.00 0.00 C ATOM 786 OG SER A 67 8.087 4.183 0.999 1.00 0.00 O ATOM 0 H SER A 67 10.499 4.791 0.032 1.00 0.00 H new ATOM 0 HA SER A 67 8.863 2.804 -1.073 1.00 0.00 H new ATOM 0 HB2 SER A 67 8.335 5.708 -0.341 1.00 0.00 H new ATOM 0 HB3 SER A 67 7.074 4.558 -0.738 1.00 0.00 H new ATOM 0 HG SER A 67 8.830 4.596 1.487 1.00 0.00 H new ATOM 792 N CYS A 68 9.416 5.395 -3.030 1.00 0.00 N ATOM 793 CA CYS A 68 9.297 5.878 -4.401 1.00 0.00 C ATOM 794 C CYS A 68 10.062 4.985 -5.368 1.00 0.00 C ATOM 795 O CYS A 68 9.668 4.822 -6.523 1.00 0.00 O ATOM 796 CB CYS A 68 9.820 7.310 -4.514 1.00 0.00 C ATOM 797 SG CYS A 68 8.807 8.537 -3.655 1.00 0.00 S ATOM 0 H CYS A 68 9.944 6.010 -2.411 1.00 0.00 H new ATOM 0 HA CYS A 68 8.240 5.856 -4.665 1.00 0.00 H new ATOM 0 HB2 CYS A 68 10.833 7.348 -4.115 1.00 0.00 H new ATOM 0 HB3 CYS A 68 9.883 7.580 -5.568 1.00 0.00 H new ATOM 802 N ASN A 69 11.160 4.407 -4.890 1.00 0.00 N ATOM 803 CA ASN A 69 11.931 3.455 -5.681 1.00 0.00 C ATOM 804 C ASN A 69 11.217 2.113 -5.777 1.00 0.00 C ATOM 805 O ASN A 69 11.392 1.373 -6.745 1.00 0.00 O ATOM 806 CB ASN A 69 13.321 3.280 -5.099 1.00 0.00 C ATOM 807 CG ASN A 69 14.189 4.492 -5.301 1.00 0.00 C ATOM 808 OD1 ASN A 69 13.884 5.357 -6.130 1.00 0.00 O ATOM 809 ND2 ASN A 69 15.264 4.570 -4.559 1.00 0.00 N ATOM 0 H ASN A 69 11.536 4.582 -3.958 1.00 0.00 H new ATOM 0 HA ASN A 69 12.026 3.857 -6.690 1.00 0.00 H new ATOM 0 HB2 ASN A 69 13.241 3.069 -4.033 1.00 0.00 H new ATOM 0 HB3 ASN A 69 13.798 2.415 -5.560 1.00 0.00 H new ATOM 0 HD21 ASN A 69 15.891 5.369 -4.652 1.00 0.00 H new ATOM 0 HD22 ASN A 69 15.475 3.832 -3.888 1.00 0.00 H new ATOM 816 N ASP A 70 10.411 1.804 -4.766 1.00 0.00 N ATOM 817 CA ASP A 70 9.673 0.547 -4.732 1.00 0.00 C ATOM 818 C ASP A 70 8.394 0.637 -5.556 1.00 0.00 C ATOM 819 O ASP A 70 7.691 -0.356 -5.739 1.00 0.00 O ATOM 820 CB ASP A 70 9.331 0.164 -3.290 1.00 0.00 C ATOM 821 CG ASP A 70 10.551 -0.267 -2.487 1.00 0.00 C ATOM 822 OD1 ASP A 70 11.525 -0.656 -3.086 1.00 0.00 O ATOM 823 OD2 ASP A 70 10.497 -0.202 -1.282 1.00 0.00 O1- ATOM 0 H ASP A 70 10.253 2.408 -3.959 1.00 0.00 H new ATOM 0 HA ASP A 70 10.311 -0.223 -5.166 1.00 0.00 H new ATOM 0 HB2 ASP A 70 8.858 1.013 -2.796 1.00 0.00 H new ATOM 0 HB3 ASP A 70 8.602 -0.646 -3.298 1.00 0.00 H new ATOM 874 N PRO A 74 7.979 2.660 -14.029 1.00 0.00 N ATOM 875 CA PRO A 74 9.251 2.423 -14.702 1.00 0.00 C ATOM 876 C PRO A 74 10.208 3.590 -14.497 1.00 0.00 C ATOM 877 O PRO A 74 9.804 4.752 -14.541 1.00 0.00 O ATOM 878 CB PRO A 74 8.842 2.278 -16.171 1.00 0.00 C ATOM 879 CG PRO A 74 7.443 1.768 -16.113 1.00 0.00 C ATOM 880 CD PRO A 74 6.830 2.491 -14.943 1.00 0.00 C ATOM 0 HA PRO A 74 9.785 1.552 -14.323 1.00 0.00 H new ATOM 0 HB2 PRO A 74 8.897 3.232 -16.695 1.00 0.00 H new ATOM 0 HB3 PRO A 74 9.497 1.585 -16.700 1.00 0.00 H new ATOM 0 HG2 PRO A 74 6.904 1.979 -17.037 1.00 0.00 H new ATOM 0 HG3 PRO A 74 7.419 0.688 -15.969 1.00 0.00 H new ATOM 0 HD2 PRO A 74 6.402 3.449 -15.238 1.00 0.00 H new ATOM 0 HD3 PRO A 74 6.029 1.912 -14.484 1.00 0.00 H new ATOM 888 N PRO A 75 11.479 3.274 -14.274 1.00 0.00 N ATOM 889 CA PRO A 75 12.506 4.297 -14.114 1.00 0.00 C ATOM 890 C PRO A 75 12.496 5.276 -15.281 1.00 0.00 C ATOM 891 O PRO A 75 12.797 6.458 -15.114 1.00 0.00 O ATOM 892 CB PRO A 75 13.802 3.480 -14.073 1.00 0.00 C ATOM 893 CG PRO A 75 13.386 2.162 -13.516 1.00 0.00 C ATOM 894 CD PRO A 75 12.032 1.908 -14.124 1.00 0.00 C ATOM 0 HA PRO A 75 12.365 4.915 -13.227 1.00 0.00 H new ATOM 0 HB2 PRO A 75 14.237 3.373 -15.067 1.00 0.00 H new ATOM 0 HB3 PRO A 75 14.554 3.958 -13.446 1.00 0.00 H new ATOM 0 HG2 PRO A 75 14.094 1.377 -13.782 1.00 0.00 H new ATOM 0 HG3 PRO A 75 13.334 2.189 -12.428 1.00 0.00 H new ATOM 0 HD2 PRO A 75 12.109 1.395 -15.083 1.00 0.00 H new ATOM 0 HD3 PRO A 75 11.409 1.288 -13.480 1.00 0.00 H new ATOM 902 N CYS A 76 12.147 4.777 -16.462 1.00 0.00 N ATOM 903 CA CYS A 76 12.195 5.581 -17.677 1.00 0.00 C ATOM 904 C CYS A 76 11.059 6.595 -17.713 1.00 0.00 C ATOM 905 O CYS A 76 11.032 7.481 -18.567 1.00 0.00 O ATOM 906 CB CYS A 76 12.114 4.688 -18.916 1.00 0.00 C ATOM 907 SG CYS A 76 13.560 3.630 -19.160 1.00 0.00 S ATOM 0 H CYS A 76 11.828 3.819 -16.603 1.00 0.00 H new ATOM 0 HA CYS A 76 13.144 6.117 -17.677 1.00 0.00 H new ATOM 0 HB2 CYS A 76 11.226 4.060 -18.840 1.00 0.00 H new ATOM 0 HB3 CYS A 76 11.985 5.317 -19.796 1.00 0.00 H new ATOM 912 N SER A 77 10.123 6.459 -16.780 1.00 0.00 N ATOM 913 CA SER A 77 8.997 7.380 -16.686 1.00 0.00 C ATOM 914 C SER A 77 9.290 8.511 -15.708 1.00 0.00 C ATOM 915 O SER A 77 8.442 9.370 -15.465 1.00 0.00 O ATOM 916 CB SER A 77 7.749 6.636 -16.252 1.00 0.00 C ATOM 917 OG SER A 77 7.372 5.686 -17.211 1.00 0.00 O ATOM 0 H SER A 77 10.122 5.719 -16.078 1.00 0.00 H new ATOM 0 HA SER A 77 8.835 7.814 -17.673 1.00 0.00 H new ATOM 0 HB2 SER A 77 7.929 6.142 -15.297 1.00 0.00 H new ATOM 0 HB3 SER A 77 6.935 7.344 -16.096 1.00 0.00 H new ATOM 0 HG SER A 77 6.566 5.218 -16.908 1.00 0.00 H new ATOM 923 N LEU A 78 10.496 8.506 -15.150 1.00 0.00 N ATOM 924 CA LEU A 78 10.906 9.536 -14.203 1.00 0.00 C ATOM 925 C LEU A 78 12.013 10.407 -14.783 1.00 0.00 C ATOM 926 O LEU A 78 12.763 9.974 -15.658 1.00 0.00 O ATOM 927 CB LEU A 78 11.384 8.893 -12.895 1.00 0.00 C ATOM 928 CG LEU A 78 10.284 8.306 -12.002 1.00 0.00 C ATOM 929 CD1 LEU A 78 10.006 6.868 -12.418 1.00 0.00 C ATOM 930 CD2 LEU A 78 10.719 8.379 -10.546 1.00 0.00 C ATOM 0 H LEU A 78 11.207 7.799 -15.338 1.00 0.00 H new ATOM 0 HA LEU A 78 10.042 10.168 -14.000 1.00 0.00 H new ATOM 0 HB2 LEU A 78 12.091 8.100 -13.139 1.00 0.00 H new ATOM 0 HB3 LEU A 78 11.931 9.642 -12.322 1.00 0.00 H new ATOM 0 HG LEU A 78 9.365 8.881 -12.116 1.00 0.00 H new ATOM 0 HD11 LEU A 78 9.224 6.450 -11.784 1.00 0.00 H new ATOM 0 HD12 LEU A 78 9.680 6.847 -13.458 1.00 0.00 H new ATOM 0 HD13 LEU A 78 10.915 6.276 -12.311 1.00 0.00 H new ATOM 0 HD21 LEU A 78 9.937 7.962 -9.911 1.00 0.00 H new ATOM 0 HD22 LEU A 78 11.638 7.809 -10.412 1.00 0.00 H new ATOM 0 HD23 LEU A 78 10.894 9.419 -10.270 1.00 0.00 H new ATOM 942 N GLU A 79 12.112 11.636 -14.289 1.00 0.00 N ATOM 943 CA GLU A 79 13.010 12.626 -14.872 1.00 0.00 C ATOM 944 C GLU A 79 14.404 12.530 -14.265 1.00 0.00 C ATOM 945 O GLU A 79 14.577 12.014 -13.161 1.00 0.00 O ATOM 946 CB GLU A 79 12.451 14.037 -14.670 1.00 0.00 C ATOM 947 CG GLU A 79 11.139 14.303 -15.393 1.00 0.00 C ATOM 948 CD GLU A 79 10.635 15.705 -15.194 1.00 0.00 C ATOM 949 OE1 GLU A 79 11.235 16.430 -14.437 1.00 0.00 O ATOM 950 OE2 GLU A 79 9.649 16.053 -15.800 1.00 0.00 O1- ATOM 0 H GLU A 79 11.581 11.971 -13.485 1.00 0.00 H new ATOM 0 HA GLU A 79 13.086 12.420 -15.940 1.00 0.00 H new ATOM 0 HB2 GLU A 79 12.305 14.207 -13.603 1.00 0.00 H new ATOM 0 HB3 GLU A 79 13.192 14.760 -15.010 1.00 0.00 H new ATOM 0 HG2 GLU A 79 11.274 14.119 -16.459 1.00 0.00 H new ATOM 0 HG3 GLU A 79 10.386 13.598 -15.040 1.00 0.00 H new ATOM 957 N VAL A 80 15.396 13.030 -14.994 1.00 0.00 N ATOM 958 CA VAL A 80 16.780 12.987 -14.536 1.00 0.00 C ATOM 959 C VAL A 80 16.968 13.818 -13.274 1.00 0.00 C ATOM 960 O VAL A 80 16.548 14.973 -13.211 1.00 0.00 O ATOM 961 CB VAL A 80 17.723 13.509 -15.637 1.00 0.00 C ATOM 962 CG1 VAL A 80 19.147 13.613 -15.112 1.00 0.00 C ATOM 963 CG2 VAL A 80 17.660 12.593 -16.849 1.00 0.00 C ATOM 0 H VAL A 80 15.267 13.470 -15.905 1.00 0.00 H new ATOM 0 HA VAL A 80 17.022 11.949 -14.309 1.00 0.00 H new ATOM 0 HB VAL A 80 17.400 14.506 -15.937 1.00 0.00 H new ATOM 0 HG11 VAL A 80 19.800 13.983 -15.902 1.00 0.00 H new ATOM 0 HG12 VAL A 80 19.174 14.301 -14.267 1.00 0.00 H new ATOM 0 HG13 VAL A 80 19.489 12.629 -14.790 1.00 0.00 H new ATOM 0 HG21 VAL A 80 18.329 12.968 -17.624 1.00 0.00 H new ATOM 0 HG22 VAL A 80 17.966 11.587 -16.561 1.00 0.00 H new ATOM 0 HG23 VAL A 80 16.640 12.566 -17.232 1.00 0.00 H new ATOM 973 N ASP A 81 17.602 13.223 -12.269 1.00 0.00 N ATOM 974 CA ASP A 81 17.980 13.950 -11.063 1.00 0.00 C ATOM 975 C ASP A 81 19.216 13.339 -10.416 1.00 0.00 C ATOM 976 O ASP A 81 19.123 12.349 -9.689 1.00 0.00 O ATOM 977 CB ASP A 81 16.824 13.962 -10.060 1.00 0.00 C ATOM 978 CG ASP A 81 17.108 14.828 -8.840 1.00 0.00 C ATOM 979 OD1 ASP A 81 18.234 15.234 -8.672 1.00 0.00 O ATOM 980 OD2 ASP A 81 16.197 15.075 -8.087 1.00 0.00 O1- ATOM 0 H ASP A 81 17.865 12.238 -12.266 1.00 0.00 H new ATOM 0 HA ASP A 81 18.213 14.974 -11.354 1.00 0.00 H new ATOM 0 HB2 ASP A 81 15.923 14.325 -10.555 1.00 0.00 H new ATOM 0 HB3 ASP A 81 16.620 12.942 -9.736 1.00 0.00 H new ATOM 985 N TYR A 82 20.373 13.933 -10.684 1.00 0.00 N ATOM 986 CA TYR A 82 21.638 13.412 -10.178 1.00 0.00 C ATOM 987 C TYR A 82 21.956 13.979 -8.801 1.00 0.00 C ATOM 988 O TYR A 82 23.023 13.721 -8.244 1.00 0.00 O ATOM 989 CB TYR A 82 22.774 13.722 -11.155 1.00 0.00 C ATOM 990 CG TYR A 82 22.840 15.174 -11.574 1.00 0.00 C ATOM 991 CD1 TYR A 82 23.532 16.089 -10.795 1.00 0.00 C ATOM 992 CD2 TYR A 82 22.208 15.590 -12.736 1.00 0.00 C ATOM 993 CE1 TYR A 82 23.592 17.416 -11.177 1.00 0.00 C ATOM 994 CE2 TYR A 82 22.268 16.916 -13.118 1.00 0.00 C ATOM 995 CZ TYR A 82 22.957 17.827 -12.343 1.00 0.00 C ATOM 996 OH TYR A 82 23.017 19.148 -12.724 1.00 0.00 O ATOM 0 H TYR A 82 20.462 14.777 -11.250 1.00 0.00 H new ATOM 0 HA TYR A 82 21.540 12.330 -10.084 1.00 0.00 H new ATOM 0 HB2 TYR A 82 23.722 13.443 -10.696 1.00 0.00 H new ATOM 0 HB3 TYR A 82 22.656 13.102 -12.044 1.00 0.00 H new ATOM 0 HD1 TYR A 82 24.024 15.765 -9.890 1.00 0.00 H new ATOM 0 HD2 TYR A 82 21.669 14.877 -13.342 1.00 0.00 H new ATOM 0 HE1 TYR A 82 24.130 18.131 -10.572 1.00 0.00 H new ATOM 0 HE2 TYR A 82 21.776 17.240 -14.023 1.00 0.00 H new ATOM 0 HH TYR A 82 22.523 19.270 -13.562 1.00 0.00 H new ATOM 1006 N GLY A 83 21.024 14.754 -8.256 1.00 0.00 N ATOM 1007 CA GLY A 83 21.154 15.269 -6.898 1.00 0.00 C ATOM 1008 C GLY A 83 21.865 16.616 -6.885 1.00 0.00 C ATOM 1009 O GLY A 83 22.270 17.124 -7.930 1.00 0.00 O ATOM 0 H GLY A 83 20.170 15.039 -8.735 1.00 0.00 H new ATOM 0 HA2 GLY A 83 20.166 15.372 -6.449 1.00 0.00 H new ATOM 0 HA3 GLY A 83 21.709 14.556 -6.288 1.00 0.00 H new ATOM 1013 N VAL A 84 22.014 17.189 -5.696 1.00 0.00 N ATOM 1014 CA VAL A 84 22.701 18.466 -5.542 1.00 0.00 C ATOM 1015 C VAL A 84 23.767 18.391 -4.457 1.00 0.00 C ATOM 1016 O VAL A 84 23.883 19.290 -3.624 1.00 0.00 O ATOM 1017 CB VAL A 84 21.692 19.576 -5.190 1.00 0.00 C ATOM 1018 CG1 VAL A 84 20.762 19.842 -6.365 1.00 0.00 C ATOM 1019 CG2 VAL A 84 20.899 19.182 -3.953 1.00 0.00 C ATOM 0 H VAL A 84 21.668 16.789 -4.824 1.00 0.00 H new ATOM 0 HA VAL A 84 23.185 18.698 -6.491 1.00 0.00 H new ATOM 0 HB VAL A 84 22.237 20.495 -4.976 1.00 0.00 H new ATOM 0 HG11 VAL A 84 20.056 20.629 -6.099 1.00 0.00 H new ATOM 0 HG12 VAL A 84 21.348 20.157 -7.229 1.00 0.00 H new ATOM 0 HG13 VAL A 84 20.215 18.931 -6.610 1.00 0.00 H new ATOM 0 HG21 VAL A 84 20.188 19.971 -3.710 1.00 0.00 H new ATOM 0 HG22 VAL A 84 20.360 18.255 -4.147 1.00 0.00 H new ATOM 0 HG23 VAL A 84 21.581 19.037 -3.115 1.00 0.00 H new ATOM 1029 N GLY A 85 24.544 17.314 -4.472 1.00 0.00 N ATOM 1030 CA GLY A 85 25.547 17.078 -3.440 1.00 0.00 C ATOM 1031 C GLY A 85 26.922 17.557 -3.887 1.00 0.00 C ATOM 1032 O GLY A 85 27.052 18.622 -4.491 1.00 0.00 O ATOM 0 H GLY A 85 24.499 16.589 -5.188 1.00 0.00 H new ATOM 0 HA2 GLY A 85 25.259 17.595 -2.525 1.00 0.00 H new ATOM 0 HA3 GLY A 85 25.588 16.014 -3.206 1.00 0.00 H new ATOM 1036 N ARG A 86 27.946 16.765 -3.587 1.00 0.00 N ATOM 1037 CA ARG A 86 29.325 17.176 -3.818 1.00 0.00 C ATOM 1038 C ARG A 86 30.167 16.016 -4.334 1.00 0.00 C ATOM 1039 O ARG A 86 31.329 16.193 -4.699 1.00 0.00 O ATOM 1040 CB ARG A 86 29.944 17.718 -2.538 1.00 0.00 C ATOM 1041 CG ARG A 86 29.319 19.004 -2.020 1.00 0.00 C ATOM 1042 CD ARG A 86 29.587 20.149 -2.927 1.00 0.00 C ATOM 1043 NE ARG A 86 29.035 21.391 -2.410 1.00 0.00 N ATOM 1044 CZ ARG A 86 27.785 21.832 -2.652 1.00 0.00 C ATOM 1045 NH1 ARG A 86 26.972 21.123 -3.403 1.00 0.00 N1+ ATOM 1046 NH2 ARG A 86 27.377 22.977 -2.135 1.00 0.00 N ATOM 0 H ARG A 86 27.846 15.834 -3.183 1.00 0.00 H new ATOM 0 HA ARG A 86 29.310 17.962 -4.574 1.00 0.00 H new ATOM 0 HB2 ARG A 86 29.867 16.956 -1.763 1.00 0.00 H new ATOM 0 HB3 ARG A 86 31.006 17.891 -2.710 1.00 0.00 H new ATOM 0 HG2 ARG A 86 28.243 18.868 -1.913 1.00 0.00 H new ATOM 0 HG3 ARG A 86 29.712 19.226 -1.028 1.00 0.00 H new ATOM 0 HD2 ARG A 86 30.663 20.259 -3.064 1.00 0.00 H new ATOM 0 HD3 ARG A 86 29.160 19.943 -3.908 1.00 0.00 H new ATOM 0 HE ARG A 86 29.636 21.969 -1.823 1.00 0.00 H new ATOM 0 HH11 ARG A 86 27.287 20.239 -3.802 1.00 0.00 H new ATOM 0 HH12 ARG A 86 26.026 21.457 -3.586 1.00 0.00 H new ATOM 0 HH21 ARG A 86 28.008 23.527 -1.553 1.00 0.00 H new ATOM 0 HH22 ARG A 86 26.431 23.311 -2.318 1.00 0.00 H new ATOM 1060 N ALA A 87 29.573 14.828 -4.362 1.00 0.00 N ATOM 1061 CA ALA A 87 30.261 13.639 -4.850 1.00 0.00 C ATOM 1062 C ALA A 87 30.347 13.637 -6.371 1.00 0.00 C ATOM 1063 O ALA A 87 29.648 14.396 -7.042 1.00 0.00 O ATOM 1064 CB ALA A 87 29.559 12.381 -4.359 1.00 0.00 C ATOM 0 H ALA A 87 28.615 14.663 -4.052 1.00 0.00 H new ATOM 0 HA ALA A 87 31.277 13.653 -4.455 1.00 0.00 H new ATOM 0 HB1 ALA A 87 30.085 11.502 -4.732 1.00 0.00 H new ATOM 0 HB2 ALA A 87 29.557 12.367 -3.269 1.00 0.00 H new ATOM 0 HB3 ALA A 87 28.532 12.371 -4.724 1.00 0.00 H new ATOM 1070 N ASN A 88 31.208 12.781 -6.909 1.00 0.00 N ATOM 1071 CA ASN A 88 31.386 12.678 -8.353 1.00 0.00 C ATOM 1072 C ASN A 88 31.336 11.227 -8.812 1.00 0.00 C ATOM 1073 O ASN A 88 32.346 10.663 -9.232 1.00 0.00 O ATOM 1074 CB ASN A 88 32.690 13.328 -8.777 1.00 0.00 C ATOM 1075 CG ASN A 88 32.742 14.793 -8.443 1.00 0.00 C ATOM 1076 OD1 ASN A 88 32.112 15.618 -9.115 1.00 0.00 O ATOM 1077 ND2 ASN A 88 33.480 15.132 -7.417 1.00 0.00 N ATOM 0 H ASN A 88 31.795 12.147 -6.366 1.00 0.00 H new ATOM 0 HA ASN A 88 30.563 13.209 -8.831 1.00 0.00 H new ATOM 0 HB2 ASN A 88 33.521 12.818 -8.289 1.00 0.00 H new ATOM 0 HB3 ASN A 88 32.823 13.199 -9.851 1.00 0.00 H new ATOM 0 HD21 ASN A 88 33.553 16.112 -7.143 1.00 0.00 H new ATOM 0 HD22 ASN A 88 33.982 14.417 -6.892 1.00 0.00 H new ATOM 1084 N ILE A 89 30.153 10.626 -8.730 1.00 0.00 N ATOM 1085 CA ILE A 89 29.964 9.246 -9.159 1.00 0.00 C ATOM 1086 C ILE A 89 29.302 9.180 -10.529 1.00 0.00 C ATOM 1087 O ILE A 89 28.269 9.809 -10.761 1.00 0.00 O ATOM 1088 CB ILE A 89 29.113 8.465 -8.140 1.00 0.00 C ATOM 1089 CG1 ILE A 89 29.739 8.552 -6.745 1.00 0.00 C ATOM 1090 CG2 ILE A 89 28.965 7.015 -8.571 1.00 0.00 C ATOM 1091 CD1 ILE A 89 31.148 8.008 -6.673 1.00 0.00 C ATOM 0 H ILE A 89 29.311 11.074 -8.370 1.00 0.00 H new ATOM 0 HA ILE A 89 30.952 8.789 -9.224 1.00 0.00 H new ATOM 0 HB ILE A 89 28.120 8.913 -8.101 1.00 0.00 H new ATOM 0 HG12 ILE A 89 29.745 9.594 -6.424 1.00 0.00 H new ATOM 0 HG13 ILE A 89 29.112 8.005 -6.041 1.00 0.00 H new ATOM 0 HG21 ILE A 89 28.361 6.478 -7.840 1.00 0.00 H new ATOM 0 HG22 ILE A 89 28.478 6.973 -9.545 1.00 0.00 H new ATOM 0 HG23 ILE A 89 29.950 6.553 -8.638 1.00 0.00 H new ATOM 0 HD11 ILE A 89 31.524 8.104 -5.654 1.00 0.00 H new ATOM 0 HD12 ILE A 89 31.147 6.957 -6.962 1.00 0.00 H new ATOM 0 HD13 ILE A 89 31.790 8.570 -7.351 1.00 0.00 H new ATOM 1103 N PRO A 90 29.902 8.416 -11.435 1.00 0.00 N ATOM 1104 CA PRO A 90 29.431 8.347 -12.813 1.00 0.00 C ATOM 1105 C PRO A 90 28.196 7.462 -12.930 1.00 0.00 C ATOM 1106 O PRO A 90 28.276 6.328 -13.402 1.00 0.00 O ATOM 1107 CB PRO A 90 30.628 7.748 -13.558 1.00 0.00 C ATOM 1108 CG PRO A 90 31.306 6.900 -12.536 1.00 0.00 C ATOM 1109 CD PRO A 90 31.182 7.684 -11.257 1.00 0.00 C ATOM 0 HA PRO A 90 29.124 9.313 -13.212 1.00 0.00 H new ATOM 0 HB2 PRO A 90 30.308 7.158 -14.417 1.00 0.00 H new ATOM 0 HB3 PRO A 90 31.292 8.525 -13.935 1.00 0.00 H new ATOM 0 HG2 PRO A 90 30.830 5.923 -12.451 1.00 0.00 H new ATOM 0 HG3 PRO A 90 32.350 6.724 -12.795 1.00 0.00 H new ATOM 0 HD2 PRO A 90 31.155 7.031 -10.385 1.00 0.00 H new ATOM 0 HD3 PRO A 90 32.021 8.366 -11.119 1.00 0.00 H new ATOM 1117 N ARG A 91 27.055 7.987 -12.496 1.00 0.00 N ATOM 1118 CA ARG A 91 25.787 7.280 -12.630 1.00 0.00 C ATOM 1119 C ARG A 91 25.078 7.661 -13.923 1.00 0.00 C ATOM 1120 O ARG A 91 25.288 8.749 -14.460 1.00 0.00 O ATOM 1121 CB ARG A 91 24.878 7.582 -11.448 1.00 0.00 C ATOM 1122 CG ARG A 91 25.447 7.201 -10.090 1.00 0.00 C ATOM 1123 CD ARG A 91 25.658 5.735 -9.975 1.00 0.00 C ATOM 1124 NE ARG A 91 24.424 4.992 -10.174 1.00 0.00 N ATOM 1125 CZ ARG A 91 24.305 3.657 -10.038 1.00 0.00 C ATOM 1126 NH1 ARG A 91 25.351 2.934 -9.703 1.00 0.00 N1+ ATOM 1127 NH2 ARG A 91 23.136 3.074 -10.241 1.00 0.00 N ATOM 0 H ARG A 91 26.983 8.901 -12.048 1.00 0.00 H new ATOM 0 HA ARG A 91 26.008 6.213 -12.653 1.00 0.00 H new ATOM 0 HB2 ARG A 91 24.652 8.648 -11.445 1.00 0.00 H new ATOM 0 HB3 ARG A 91 23.934 7.056 -11.591 1.00 0.00 H new ATOM 0 HG2 ARG A 91 26.394 7.718 -9.934 1.00 0.00 H new ATOM 0 HG3 ARG A 91 24.768 7.534 -9.305 1.00 0.00 H new ATOM 0 HD2 ARG A 91 26.396 5.416 -10.710 1.00 0.00 H new ATOM 0 HD3 ARG A 91 26.067 5.503 -8.991 1.00 0.00 H new ATOM 0 HE ARG A 91 23.590 5.518 -10.435 1.00 0.00 H new ATOM 0 HH11 ARG A 91 26.253 3.384 -9.546 1.00 0.00 H new ATOM 0 HH12 ARG A 91 25.261 1.923 -9.600 1.00 0.00 H new ATOM 0 HH21 ARG A 91 22.325 3.635 -10.501 1.00 0.00 H new ATOM 0 HH22 ARG A 91 23.045 2.063 -10.138 1.00 0.00 H new ATOM 1141 N TRP A 92 24.236 6.760 -14.418 1.00 0.00 N ATOM 1142 CA TRP A 92 23.532 6.979 -15.675 1.00 0.00 C ATOM 1143 C TRP A 92 22.074 7.348 -15.433 1.00 0.00 C ATOM 1144 O TRP A 92 21.420 6.789 -14.553 1.00 0.00 O ATOM 1145 CB TRP A 92 23.606 5.729 -16.553 1.00 0.00 C ATOM 1146 CG TRP A 92 24.968 5.479 -17.126 1.00 0.00 C ATOM 1147 CD1 TRP A 92 26.000 4.827 -16.520 1.00 0.00 C ATOM 1148 CD2 TRP A 92 25.457 5.878 -18.429 1.00 0.00 C ATOM 1149 NE1 TRP A 92 27.092 4.793 -17.351 1.00 0.00 N ATOM 1150 CE2 TRP A 92 26.777 5.431 -18.524 1.00 0.00 C ATOM 1151 CE3 TRP A 92 24.887 6.568 -19.507 1.00 0.00 C ATOM 1152 CZ2 TRP A 92 27.546 5.651 -19.656 1.00 0.00 C ATOM 1153 CZ3 TRP A 92 25.658 6.788 -20.642 1.00 0.00 C ATOM 1154 CH2 TRP A 92 26.953 6.340 -20.714 1.00 0.00 C ATOM 0 H TRP A 92 24.025 5.870 -13.967 1.00 0.00 H new ATOM 0 HA TRP A 92 24.019 7.809 -16.187 1.00 0.00 H new ATOM 0 HB2 TRP A 92 23.304 4.863 -15.964 1.00 0.00 H new ATOM 0 HB3 TRP A 92 22.890 5.825 -17.369 1.00 0.00 H new ATOM 0 HD1 TRP A 92 25.964 4.399 -15.529 1.00 0.00 H new ATOM 0 HE1 TRP A 92 27.991 4.364 -17.132 1.00 0.00 H new ATOM 0 HE3 TRP A 92 23.868 6.922 -19.457 1.00 0.00 H new ATOM 0 HZ2 TRP A 92 28.566 5.302 -19.717 1.00 0.00 H new ATOM 0 HZ3 TRP A 92 25.232 7.319 -21.480 1.00 0.00 H new ATOM 0 HH2 TRP A 92 27.526 6.525 -21.610 1.00 0.00 H new ATOM 1165 N TYR A 93 21.569 8.294 -16.219 1.00 0.00 N ATOM 1166 CA TYR A 93 20.186 8.737 -16.093 1.00 0.00 C ATOM 1167 C TYR A 93 19.510 8.827 -17.455 1.00 0.00 C ATOM 1168 O TYR A 93 20.127 9.235 -18.439 1.00 0.00 O ATOM 1169 CB TYR A 93 20.121 10.089 -15.378 1.00 0.00 C ATOM 1170 CG TYR A 93 20.676 10.063 -13.971 1.00 0.00 C ATOM 1171 CD1 TYR A 93 22.045 10.137 -13.765 1.00 0.00 C ATOM 1172 CD2 TYR A 93 19.815 9.967 -12.888 1.00 0.00 C ATOM 1173 CE1 TYR A 93 22.552 10.113 -12.480 1.00 0.00 C ATOM 1174 CE2 TYR A 93 20.322 9.943 -11.603 1.00 0.00 C ATOM 1175 CZ TYR A 93 21.684 10.016 -11.398 1.00 0.00 C ATOM 1176 OH TYR A 93 22.189 9.993 -10.118 1.00 0.00 O ATOM 0 H TYR A 93 22.098 8.769 -16.951 1.00 0.00 H new ATOM 0 HA TYR A 93 19.650 7.997 -15.498 1.00 0.00 H new ATOM 0 HB2 TYR A 93 20.672 10.825 -15.963 1.00 0.00 H new ATOM 0 HB3 TYR A 93 19.084 10.422 -15.343 1.00 0.00 H new ATOM 0 HD1 TYR A 93 22.715 10.213 -14.609 1.00 0.00 H new ATOM 0 HD2 TYR A 93 18.749 9.911 -13.049 1.00 0.00 H new ATOM 0 HE1 TYR A 93 23.618 10.169 -12.317 1.00 0.00 H new ATOM 0 HE2 TYR A 93 19.652 9.867 -10.759 1.00 0.00 H new ATOM 0 HH TYR A 93 21.451 9.923 -9.477 1.00 0.00 H new ATOM 1186 N TYR A 94 18.239 8.443 -17.505 1.00 0.00 N ATOM 1187 CA TYR A 94 17.473 8.490 -18.745 1.00 0.00 C ATOM 1188 C TYR A 94 16.770 9.832 -18.906 1.00 0.00 C ATOM 1189 O TYR A 94 15.947 10.216 -18.076 1.00 0.00 O ATOM 1190 CB TYR A 94 16.454 7.349 -18.789 1.00 0.00 C ATOM 1191 CG TYR A 94 15.592 7.348 -20.031 1.00 0.00 C ATOM 1192 CD1 TYR A 94 16.138 6.987 -21.254 1.00 0.00 C ATOM 1193 CD2 TYR A 94 14.255 7.708 -19.948 1.00 0.00 C ATOM 1194 CE1 TYR A 94 15.350 6.986 -22.389 1.00 0.00 C ATOM 1195 CE2 TYR A 94 13.467 7.707 -21.082 1.00 0.00 C ATOM 1196 CZ TYR A 94 14.010 7.348 -22.299 1.00 0.00 C ATOM 1197 OH TYR A 94 13.226 7.348 -23.429 1.00 0.00 O ATOM 0 H TYR A 94 17.717 8.095 -16.700 1.00 0.00 H new ATOM 0 HA TYR A 94 18.170 8.371 -19.574 1.00 0.00 H new ATOM 0 HB2 TYR A 94 16.984 6.399 -18.725 1.00 0.00 H new ATOM 0 HB3 TYR A 94 15.811 7.415 -17.912 1.00 0.00 H new ATOM 0 HD1 TYR A 94 17.179 6.707 -21.319 1.00 0.00 H new ATOM 0 HD2 TYR A 94 13.830 7.989 -18.996 1.00 0.00 H new ATOM 0 HE1 TYR A 94 15.773 6.705 -23.342 1.00 0.00 H new ATOM 0 HE2 TYR A 94 12.426 7.987 -21.017 1.00 0.00 H new ATOM 0 HH TYR A 94 12.315 7.624 -23.195 1.00 0.00 H new ATOM 1207 N ASP A 95 17.099 10.541 -19.981 1.00 0.00 N ATOM 1208 CA ASP A 95 16.453 11.811 -20.288 1.00 0.00 C ATOM 1209 C ASP A 95 15.147 11.597 -21.043 1.00 0.00 C ATOM 1210 O ASP A 95 15.150 11.167 -22.197 1.00 0.00 O ATOM 1211 CB ASP A 95 17.385 12.702 -21.112 1.00 0.00 C ATOM 1212 CG ASP A 95 16.790 14.073 -21.404 1.00 0.00 C ATOM 1213 OD1 ASP A 95 15.590 14.202 -21.350 1.00 0.00 O ATOM 1214 OD2 ASP A 95 17.541 14.979 -21.678 1.00 0.00 O1- ATOM 0 H ASP A 95 17.810 10.257 -20.655 1.00 0.00 H new ATOM 0 HA ASP A 95 16.229 12.304 -19.342 1.00 0.00 H new ATOM 0 HB2 ASP A 95 18.327 12.827 -20.577 1.00 0.00 H new ATOM 0 HB3 ASP A 95 17.617 12.204 -22.054 1.00 0.00 H new ATOM 1219 N THR A 96 14.033 11.898 -20.385 1.00 0.00 N ATOM 1220 CA THR A 96 12.715 11.597 -20.932 1.00 0.00 C ATOM 1221 C THR A 96 12.321 12.603 -22.006 1.00 0.00 C ATOM 1222 O THR A 96 11.446 12.336 -22.829 1.00 0.00 O ATOM 1223 CB THR A 96 11.646 11.578 -19.824 1.00 0.00 C ATOM 1224 OG1 THR A 96 11.540 12.881 -19.237 1.00 0.00 O ATOM 1225 CG2 THR A 96 12.013 10.569 -18.747 1.00 0.00 C ATOM 0 H THR A 96 14.016 12.351 -19.471 1.00 0.00 H new ATOM 0 HA THR A 96 12.772 10.607 -21.384 1.00 0.00 H new ATOM 0 HB THR A 96 10.691 11.292 -20.265 1.00 0.00 H new ATOM 0 HG1 THR A 96 10.858 12.868 -18.533 1.00 0.00 H new ATOM 0 HG21 THR A 96 11.246 10.569 -17.972 1.00 0.00 H new ATOM 0 HG22 THR A 96 12.083 9.575 -19.188 1.00 0.00 H new ATOM 0 HG23 THR A 96 12.973 10.839 -18.308 1.00 0.00 H new ATOM 1233 N ASN A 97 12.972 13.761 -21.992 1.00 0.00 N ATOM 1234 CA ASN A 97 12.662 14.826 -22.939 1.00 0.00 C ATOM 1235 C ASN A 97 13.412 14.632 -24.250 1.00 0.00 C ATOM 1236 O ASN A 97 12.895 14.942 -25.324 1.00 0.00 O ATOM 1237 CB ASN A 97 12.978 16.183 -22.338 1.00 0.00 C ATOM 1238 CG ASN A 97 12.023 16.567 -21.242 1.00 0.00 C ATOM 1239 OD1 ASN A 97 10.889 16.077 -21.191 1.00 0.00 O ATOM 1240 ND2 ASN A 97 12.458 17.435 -20.365 1.00 0.00 N ATOM 0 H ASN A 97 13.719 13.986 -21.335 1.00 0.00 H new ATOM 0 HA ASN A 97 11.594 14.783 -23.155 1.00 0.00 H new ATOM 0 HB2 ASN A 97 13.994 16.173 -21.943 1.00 0.00 H new ATOM 0 HB3 ASN A 97 12.948 16.939 -23.122 1.00 0.00 H new ATOM 0 HD21 ASN A 97 11.853 17.734 -19.600 1.00 0.00 H new ATOM 0 HD22 ASN A 97 13.402 17.813 -20.447 1.00 0.00 H new ATOM 1247 N ASN A 98 14.634 14.119 -24.157 1.00 0.00 N ATOM 1248 CA ASN A 98 15.447 13.855 -25.339 1.00 0.00 C ATOM 1249 C ASN A 98 15.497 12.365 -25.650 1.00 0.00 C ATOM 1250 O ASN A 98 16.073 11.950 -26.656 1.00 0.00 O ATOM 1251 CB ASN A 98 16.847 14.411 -25.159 1.00 0.00 C ATOM 1252 CG ASN A 98 16.875 15.914 -25.151 1.00 0.00 C ATOM 1253 OD1 ASN A 98 16.581 16.558 -26.165 1.00 0.00 O ATOM 1254 ND2 ASN A 98 17.224 16.486 -24.027 1.00 0.00 N ATOM 0 H ASN A 98 15.084 13.877 -23.274 1.00 0.00 H new ATOM 0 HA ASN A 98 14.981 14.359 -26.186 1.00 0.00 H new ATOM 0 HB2 ASN A 98 17.264 14.038 -24.224 1.00 0.00 H new ATOM 0 HB3 ASN A 98 17.486 14.044 -25.962 1.00 0.00 H new ATOM 0 HD21 ASN A 98 17.262 17.503 -23.963 1.00 0.00 H new ATOM 0 HD22 ASN A 98 17.458 15.915 -23.215 1.00 0.00 H new ATOM 1261 N ALA A 99 14.892 11.563 -24.780 1.00 0.00 N ATOM 1262 CA ALA A 99 14.816 10.122 -24.991 1.00 0.00 C ATOM 1263 C ALA A 99 16.202 9.518 -25.172 1.00 0.00 C ATOM 1264 O ALA A 99 16.456 8.802 -26.141 1.00 0.00 O ATOM 1265 CB ALA A 99 13.941 9.808 -26.196 1.00 0.00 C ATOM 0 H ALA A 99 14.447 11.887 -23.921 1.00 0.00 H new ATOM 0 HA ALA A 99 14.367 9.676 -24.104 1.00 0.00 H new ATOM 0 HB1 ALA A 99 13.894 8.729 -26.340 1.00 0.00 H new ATOM 0 HB2 ALA A 99 12.936 10.195 -26.027 1.00 0.00 H new ATOM 0 HB3 ALA A 99 14.365 10.275 -27.085 1.00 0.00 H new ATOM 1271 N THR A 100 17.096 9.810 -24.234 1.00 0.00 N ATOM 1272 CA THR A 100 18.469 9.323 -24.305 1.00 0.00 C ATOM 1273 C THR A 100 19.069 9.160 -22.915 1.00 0.00 C ATOM 1274 O THR A 100 18.748 9.916 -21.997 1.00 0.00 O ATOM 1275 CB THR A 100 19.350 10.271 -25.141 1.00 0.00 C ATOM 1276 OG1 THR A 100 20.662 9.710 -25.278 1.00 0.00 O ATOM 1277 CG2 THR A 100 19.452 11.633 -24.472 1.00 0.00 C ATOM 0 H THR A 100 16.894 10.382 -23.414 1.00 0.00 H new ATOM 0 HA THR A 100 18.441 8.347 -24.790 1.00 0.00 H new ATOM 0 HB THR A 100 18.895 10.394 -26.124 1.00 0.00 H new ATOM 0 HG1 THR A 100 21.221 10.313 -25.811 1.00 0.00 H new ATOM 0 HG21 THR A 100 20.078 12.289 -25.077 1.00 0.00 H new ATOM 0 HG22 THR A 100 18.457 12.067 -24.377 1.00 0.00 H new ATOM 0 HG23 THR A 100 19.895 11.520 -23.482 1.00 0.00 H new ATOM 1285 N CYS A 101 19.941 8.169 -22.765 1.00 0.00 N ATOM 1286 CA CYS A 101 20.575 7.894 -21.481 1.00 0.00 C ATOM 1287 C CYS A 101 21.994 8.445 -21.438 1.00 0.00 C ATOM 1288 O CYS A 101 22.835 8.087 -22.264 1.00 0.00 O ATOM 1289 CB CYS A 101 20.609 6.390 -21.208 1.00 0.00 C ATOM 1290 SG CYS A 101 21.391 5.941 -19.640 1.00 0.00 S ATOM 0 H CYS A 101 20.225 7.542 -23.518 1.00 0.00 H new ATOM 0 HA CYS A 101 19.982 8.389 -20.712 1.00 0.00 H new ATOM 0 HB2 CYS A 101 19.588 6.007 -21.215 1.00 0.00 H new ATOM 0 HB3 CYS A 101 21.141 5.896 -22.021 1.00 0.00 H new ATOM 1295 N GLU A 102 22.256 9.319 -20.472 1.00 0.00 N ATOM 1296 CA GLU A 102 23.543 9.999 -20.382 1.00 0.00 C ATOM 1297 C GLU A 102 24.113 9.913 -18.972 1.00 0.00 C ATOM 1298 O GLU A 102 23.390 9.636 -18.015 1.00 0.00 O ATOM 1299 CB GLU A 102 23.401 11.465 -20.796 1.00 0.00 C ATOM 1300 CG GLU A 102 22.974 11.671 -22.243 1.00 0.00 C ATOM 1301 CD GLU A 102 22.868 13.123 -22.620 1.00 0.00 C ATOM 1302 OE1 GLU A 102 23.032 13.954 -21.760 1.00 0.00 O ATOM 1303 OE2 GLU A 102 22.623 13.400 -23.771 1.00 0.00 O1- ATOM 0 H GLU A 102 21.593 9.573 -19.740 1.00 0.00 H new ATOM 0 HA GLU A 102 24.233 9.499 -21.063 1.00 0.00 H new ATOM 0 HB2 GLU A 102 22.672 11.945 -20.143 1.00 0.00 H new ATOM 0 HB3 GLU A 102 24.354 11.969 -20.636 1.00 0.00 H new ATOM 0 HG2 GLU A 102 23.691 11.181 -22.902 1.00 0.00 H new ATOM 0 HG3 GLU A 102 22.011 11.187 -22.405 1.00 0.00 H new ATOM 1310 N MET A 103 25.415 10.151 -18.850 1.00 0.00 N ATOM 1311 CA MET A 103 26.080 10.126 -17.553 1.00 0.00 C ATOM 1312 C MET A 103 26.020 11.490 -16.877 1.00 0.00 C ATOM 1313 O MET A 103 26.324 12.512 -17.492 1.00 0.00 O ATOM 1314 CB MET A 103 27.530 9.674 -17.713 1.00 0.00 C ATOM 1315 CG MET A 103 28.298 9.548 -16.405 1.00 0.00 C ATOM 1316 SD MET A 103 30.001 9.005 -16.648 1.00 0.00 S ATOM 1317 CE MET A 103 29.744 7.322 -17.200 1.00 0.00 C ATOM 0 H MET A 103 26.031 10.364 -19.635 1.00 0.00 H new ATOM 0 HA MET A 103 25.555 9.413 -16.916 1.00 0.00 H new ATOM 0 HB2 MET A 103 27.543 8.710 -18.222 1.00 0.00 H new ATOM 0 HB3 MET A 103 28.049 10.382 -18.358 1.00 0.00 H new ATOM 0 HG2 MET A 103 28.297 10.511 -15.894 1.00 0.00 H new ATOM 0 HG3 MET A 103 27.785 8.841 -15.754 1.00 0.00 H new ATOM 0 HE1 MET A 103 30.653 6.743 -17.038 1.00 0.00 H new ATOM 0 HE2 MET A 103 28.924 6.876 -16.637 1.00 0.00 H new ATOM 0 HE3 MET A 103 29.498 7.321 -18.262 1.00 0.00 H new ATOM 1327 N PHE A 104 25.626 11.498 -15.608 1.00 0.00 N ATOM 1328 CA PHE A 104 25.547 12.734 -14.839 1.00 0.00 C ATOM 1329 C PHE A 104 26.304 12.614 -13.523 1.00 0.00 C ATOM 1330 O PHE A 104 26.555 11.510 -13.039 1.00 0.00 O ATOM 1331 CB PHE A 104 24.087 13.099 -14.562 1.00 0.00 C ATOM 1332 CG PHE A 104 23.306 13.452 -15.796 1.00 0.00 C ATOM 1333 CD1 PHE A 104 22.680 12.466 -16.544 1.00 0.00 C ATOM 1334 CD2 PHE A 104 23.196 14.770 -16.212 1.00 0.00 C ATOM 1335 CE1 PHE A 104 21.961 12.789 -17.679 1.00 0.00 C ATOM 1336 CE2 PHE A 104 22.477 15.097 -17.345 1.00 0.00 C ATOM 1337 CZ PHE A 104 21.860 14.104 -18.080 1.00 0.00 C ATOM 0 H PHE A 104 25.356 10.662 -15.090 1.00 0.00 H new ATOM 0 HA PHE A 104 26.009 13.523 -15.433 1.00 0.00 H new ATOM 0 HB2 PHE A 104 23.601 12.261 -14.063 1.00 0.00 H new ATOM 0 HB3 PHE A 104 24.058 13.942 -13.871 1.00 0.00 H new ATOM 0 HD1 PHE A 104 22.755 11.434 -16.236 1.00 0.00 H new ATOM 0 HD2 PHE A 104 23.679 15.551 -15.643 1.00 0.00 H new ATOM 0 HE1 PHE A 104 21.478 12.011 -18.252 1.00 0.00 H new ATOM 0 HE2 PHE A 104 22.397 16.128 -17.656 1.00 0.00 H new ATOM 0 HZ PHE A 104 21.299 14.357 -18.968 1.00 0.00 H new ATOM 1347 N THR A 105 26.665 13.755 -12.947 1.00 0.00 N ATOM 1348 CA THR A 105 27.480 13.779 -11.738 1.00 0.00 C ATOM 1349 C THR A 105 26.632 13.531 -10.497 1.00 0.00 C ATOM 1350 O THR A 105 26.103 14.467 -9.898 1.00 0.00 O ATOM 1351 CB THR A 105 28.223 15.120 -11.597 1.00 0.00 C ATOM 1352 OG1 THR A 105 29.063 15.327 -12.741 1.00 0.00 O ATOM 1353 CG2 THR A 105 29.077 15.127 -10.339 1.00 0.00 C ATOM 0 H THR A 105 26.406 14.677 -13.298 1.00 0.00 H new ATOM 0 HA THR A 105 28.213 12.978 -11.827 1.00 0.00 H new ATOM 0 HB THR A 105 27.486 15.920 -11.528 1.00 0.00 H new ATOM 0 HG1 THR A 105 29.534 16.182 -12.651 1.00 0.00 H new ATOM 0 HG21 THR A 105 29.595 16.083 -10.256 1.00 0.00 H new ATOM 0 HG22 THR A 105 28.440 14.982 -9.466 1.00 0.00 H new ATOM 0 HG23 THR A 105 29.809 14.321 -10.392 1.00 0.00 H new ATOM 1361 N TYR A 106 26.507 12.264 -10.116 1.00 0.00 N ATOM 1362 CA TYR A 106 25.787 11.897 -8.903 1.00 0.00 C ATOM 1363 C TYR A 106 26.413 12.543 -7.674 1.00 0.00 C ATOM 1364 O TYR A 106 27.515 12.180 -7.263 1.00 0.00 O ATOM 1365 CB TYR A 106 25.750 10.376 -8.742 1.00 0.00 C ATOM 1366 CG TYR A 106 25.015 9.911 -7.504 1.00 0.00 C ATOM 1367 CD1 TYR A 106 23.658 10.160 -7.368 1.00 0.00 C ATOM 1368 CD2 TYR A 106 25.699 9.234 -6.505 1.00 0.00 C ATOM 1369 CE1 TYR A 106 22.987 9.735 -6.238 1.00 0.00 C ATOM 1370 CE2 TYR A 106 25.028 8.809 -5.374 1.00 0.00 C ATOM 1371 CZ TYR A 106 23.677 9.058 -5.240 1.00 0.00 C ATOM 1372 OH TYR A 106 23.009 8.635 -4.114 1.00 0.00 O ATOM 0 H TYR A 106 26.896 11.474 -10.631 1.00 0.00 H new ATOM 0 HA TYR A 106 24.766 12.266 -8.996 1.00 0.00 H new ATOM 0 HB2 TYR A 106 25.276 9.938 -9.621 1.00 0.00 H new ATOM 0 HB3 TYR A 106 26.772 9.998 -8.710 1.00 0.00 H new ATOM 0 HD1 TYR A 106 23.125 10.687 -8.146 1.00 0.00 H new ATOM 0 HD2 TYR A 106 26.756 9.039 -6.611 1.00 0.00 H new ATOM 0 HE1 TYR A 106 21.930 9.928 -6.131 1.00 0.00 H new ATOM 0 HE2 TYR A 106 25.560 8.282 -4.596 1.00 0.00 H new ATOM 0 HH TYR A 106 23.186 9.255 -3.376 1.00 0.00 H new ATOM 1382 N GLY A 107 25.704 13.504 -7.090 1.00 0.00 N ATOM 1383 CA GLY A 107 26.262 14.330 -6.027 1.00 0.00 C ATOM 1384 C GLY A 107 26.155 13.635 -4.675 1.00 0.00 C ATOM 1385 O GLY A 107 26.798 14.038 -3.706 1.00 0.00 O ATOM 0 H GLY A 107 24.740 13.730 -7.336 1.00 0.00 H new ATOM 0 HA2 GLY A 107 27.307 14.550 -6.244 1.00 0.00 H new ATOM 0 HA3 GLY A 107 25.737 15.284 -5.991 1.00 0.00 H new ATOM 1389 N GLY A 108 25.337 12.589 -4.617 1.00 0.00 N ATOM 1390 CA GLY A 108 25.175 11.811 -3.395 1.00 0.00 C ATOM 1391 C GLY A 108 23.721 11.795 -2.940 1.00 0.00 C ATOM 1392 O GLY A 108 23.350 11.042 -2.040 1.00 0.00 O ATOM 0 H GLY A 108 24.776 12.261 -5.403 1.00 0.00 H new ATOM 0 HA2 GLY A 108 25.517 10.790 -3.563 1.00 0.00 H new ATOM 0 HA3 GLY A 108 25.800 12.231 -2.608 1.00 0.00 H new ATOM 1396 N ILE A 109 22.901 12.631 -3.569 1.00 0.00 N ATOM 1397 CA ILE A 109 21.472 12.664 -3.280 1.00 0.00 C ATOM 1398 C ILE A 109 20.705 11.707 -4.182 1.00 0.00 C ATOM 1399 O ILE A 109 20.743 11.827 -5.407 1.00 0.00 O ATOM 1400 CB ILE A 109 20.912 14.089 -3.446 1.00 0.00 C ATOM 1401 CG1 ILE A 109 21.688 15.074 -2.569 1.00 0.00 C ATOM 1402 CG2 ILE A 109 19.430 14.120 -3.105 1.00 0.00 C ATOM 1403 CD1 ILE A 109 21.653 14.738 -1.096 1.00 0.00 C ATOM 0 H ILE A 109 23.202 13.295 -4.282 1.00 0.00 H new ATOM 0 HA ILE A 109 21.342 12.348 -2.245 1.00 0.00 H new ATOM 0 HB ILE A 109 21.031 14.389 -4.487 1.00 0.00 H new ATOM 0 HG12 ILE A 109 22.726 15.102 -2.901 1.00 0.00 H new ATOM 0 HG13 ILE A 109 21.280 16.074 -2.714 1.00 0.00 H new ATOM 0 HG21 ILE A 109 19.050 15.134 -3.227 1.00 0.00 H new ATOM 0 HG22 ILE A 109 18.889 13.447 -3.770 1.00 0.00 H new ATOM 0 HG23 ILE A 109 19.287 13.801 -2.072 1.00 0.00 H new ATOM 0 HD11 ILE A 109 22.225 15.481 -0.540 1.00 0.00 H new ATOM 0 HD12 ILE A 109 20.620 14.739 -0.747 1.00 0.00 H new ATOM 0 HD13 ILE A 109 22.089 13.752 -0.937 1.00 0.00 H new ATOM 1415 N THR A 110 20.008 10.756 -3.570 1.00 0.00 N ATOM 1416 CA THR A 110 19.385 9.665 -4.311 1.00 0.00 C ATOM 1417 C THR A 110 18.570 10.192 -5.485 1.00 0.00 C ATOM 1418 O THR A 110 18.677 9.688 -6.603 1.00 0.00 O ATOM 1419 CB THR A 110 18.484 8.816 -3.395 1.00 0.00 C ATOM 1420 OG1 THR A 110 19.276 8.225 -2.357 1.00 0.00 O ATOM 1421 CG2 THR A 110 17.798 7.717 -4.192 1.00 0.00 C ATOM 0 H THR A 110 19.860 10.718 -2.561 1.00 0.00 H new ATOM 0 HA THR A 110 20.188 9.036 -4.696 1.00 0.00 H new ATOM 0 HB THR A 110 17.723 9.463 -2.958 1.00 0.00 H new ATOM 0 HG1 THR A 110 18.702 7.686 -1.774 1.00 0.00 H new ATOM 0 HG21 THR A 110 17.166 7.127 -3.529 1.00 0.00 H new ATOM 0 HG22 THR A 110 17.185 8.164 -4.975 1.00 0.00 H new ATOM 0 HG23 THR A 110 18.551 7.071 -4.644 1.00 0.00 H new ATOM 1429 N GLY A 111 17.756 11.209 -5.225 1.00 0.00 N ATOM 1430 CA GLY A 111 16.861 11.753 -6.239 1.00 0.00 C ATOM 1431 C GLY A 111 15.596 10.913 -6.365 1.00 0.00 C ATOM 1432 O GLY A 111 14.712 10.973 -5.511 1.00 0.00 O ATOM 0 H GLY A 111 17.698 11.674 -4.319 1.00 0.00 H new ATOM 0 HA2 GLY A 111 16.596 12.778 -5.981 1.00 0.00 H new ATOM 0 HA3 GLY A 111 17.374 11.788 -7.200 1.00 0.00 H new ATOM 1436 N ASN A 112 15.516 10.131 -7.436 1.00 0.00 N ATOM 1437 CA ASN A 112 14.349 9.294 -7.688 1.00 0.00 C ATOM 1438 C ASN A 112 14.744 7.987 -8.362 1.00 0.00 C ATOM 1439 O ASN A 112 15.929 7.680 -8.497 1.00 0.00 O ATOM 1440 CB ASN A 112 13.327 10.040 -8.526 1.00 0.00 C ATOM 1441 CG ASN A 112 13.846 10.392 -9.892 1.00 0.00 C ATOM 1442 OD1 ASN A 112 14.141 9.508 -10.705 1.00 0.00 O ATOM 1443 ND2 ASN A 112 13.964 11.667 -10.161 1.00 0.00 N ATOM 0 H ASN A 112 16.246 10.059 -8.144 1.00 0.00 H new ATOM 0 HA ASN A 112 13.897 9.052 -6.726 1.00 0.00 H new ATOM 0 HB2 ASN A 112 12.431 9.429 -8.628 1.00 0.00 H new ATOM 0 HB3 ASN A 112 13.033 10.952 -8.007 1.00 0.00 H new ATOM 0 HD21 ASN A 112 14.311 11.966 -11.072 1.00 0.00 H new ATOM 0 HD22 ASN A 112 13.709 12.362 -9.459 1.00 0.00 H new ATOM 1450 N LYS A 113 13.746 7.219 -8.785 1.00 0.00 N ATOM 1451 CA LYS A 113 13.972 5.858 -9.257 1.00 0.00 C ATOM 1452 C LYS A 113 14.859 5.844 -10.494 1.00 0.00 C ATOM 1453 O LYS A 113 15.539 4.856 -10.772 1.00 0.00 O ATOM 1454 CB LYS A 113 12.640 5.167 -9.556 1.00 0.00 C ATOM 1455 CG LYS A 113 12.751 3.668 -9.800 1.00 0.00 C ATOM 1456 CD LYS A 113 11.380 3.037 -9.992 1.00 0.00 C ATOM 1457 CE LYS A 113 11.491 1.544 -10.269 1.00 0.00 C ATOM 1458 NZ LYS A 113 10.171 0.940 -10.597 1.00 0.00 N1+ ATOM 0 H LYS A 113 12.771 7.517 -8.811 1.00 0.00 H new ATOM 0 HA LYS A 113 14.484 5.311 -8.465 1.00 0.00 H new ATOM 0 HB2 LYS A 113 11.960 5.338 -8.721 1.00 0.00 H new ATOM 0 HB3 LYS A 113 12.191 5.634 -10.433 1.00 0.00 H new ATOM 0 HG2 LYS A 113 13.365 3.485 -10.682 1.00 0.00 H new ATOM 0 HG3 LYS A 113 13.256 3.196 -8.957 1.00 0.00 H new ATOM 0 HD2 LYS A 113 10.775 3.199 -9.100 1.00 0.00 H new ATOM 0 HD3 LYS A 113 10.866 3.525 -10.820 1.00 0.00 H new ATOM 0 HE2 LYS A 113 12.181 1.379 -11.096 1.00 0.00 H new ATOM 0 HE3 LYS A 113 11.913 1.044 -9.397 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 10.290 -0.077 -10.779 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 9.519 1.075 -9.798 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 9.780 1.400 -11.444 1.00 0.00 H new ATOM 1472 N ASN A 114 14.850 6.947 -11.236 1.00 0.00 N ATOM 1473 CA ASN A 114 15.643 7.057 -12.454 1.00 0.00 C ATOM 1474 C ASN A 114 17.133 7.088 -12.141 1.00 0.00 C ATOM 1475 O ASN A 114 17.727 8.157 -12.006 1.00 0.00 O ATOM 1476 CB ASN A 114 15.238 8.288 -13.244 1.00 0.00 C ATOM 1477 CG ASN A 114 15.957 8.392 -14.561 1.00 0.00 C ATOM 1478 OD1 ASN A 114 17.090 7.916 -14.703 1.00 0.00 O ATOM 1479 ND2 ASN A 114 15.322 9.005 -15.527 1.00 0.00 N ATOM 0 H ASN A 114 14.301 7.778 -11.014 1.00 0.00 H new ATOM 0 HA ASN A 114 15.447 6.174 -13.062 1.00 0.00 H new ATOM 0 HB2 ASN A 114 14.163 8.264 -13.422 1.00 0.00 H new ATOM 0 HB3 ASN A 114 15.443 9.179 -12.651 1.00 0.00 H new ATOM 0 HD21 ASN A 114 15.761 9.106 -16.442 1.00 0.00 H new ATOM 0 HD22 ASN A 114 14.388 9.382 -15.365 1.00 0.00 H new ATOM 1486 N ASN A 115 17.732 5.907 -12.025 1.00 0.00 N ATOM 1487 CA ASN A 115 19.163 5.796 -11.769 1.00 0.00 C ATOM 1488 C ASN A 115 19.705 4.454 -12.243 1.00 0.00 C ATOM 1489 O ASN A 115 19.381 3.409 -11.679 1.00 0.00 O ATOM 1490 CB ASN A 115 19.459 6.001 -10.295 1.00 0.00 C ATOM 1491 CG ASN A 115 20.933 6.038 -10.001 1.00 0.00 C ATOM 1492 OD1 ASN A 115 21.749 5.547 -10.791 1.00 0.00 O ATOM 1493 ND2 ASN A 115 21.292 6.610 -8.880 1.00 0.00 N ATOM 0 H ASN A 115 17.248 5.013 -12.104 1.00 0.00 H new ATOM 0 HA ASN A 115 19.666 6.579 -12.336 1.00 0.00 H new ATOM 0 HB2 ASN A 115 19.003 6.933 -9.963 1.00 0.00 H new ATOM 0 HB3 ASN A 115 18.998 5.198 -9.720 1.00 0.00 H new ATOM 0 HD21 ASN A 115 22.279 6.664 -8.628 1.00 0.00 H new ATOM 0 HD22 ASN A 115 20.585 7.002 -8.258 1.00 0.00 H new ATOM 1500 N PHE A 116 20.532 4.489 -13.282 1.00 0.00 N ATOM 1501 CA PHE A 116 20.918 3.277 -13.996 1.00 0.00 C ATOM 1502 C PHE A 116 22.399 2.977 -13.810 1.00 0.00 C ATOM 1503 O PHE A 116 23.194 3.873 -13.529 1.00 0.00 O ATOM 1504 CB PHE A 116 20.602 3.412 -15.487 1.00 0.00 C ATOM 1505 CG PHE A 116 19.147 3.644 -15.779 1.00 0.00 C ATOM 1506 CD1 PHE A 116 18.645 4.931 -15.897 1.00 0.00 C ATOM 1507 CD2 PHE A 116 18.278 2.575 -15.937 1.00 0.00 C ATOM 1508 CE1 PHE A 116 17.306 5.145 -16.166 1.00 0.00 C ATOM 1509 CE2 PHE A 116 16.940 2.786 -16.208 1.00 0.00 C ATOM 1510 CZ PHE A 116 16.454 4.073 -16.322 1.00 0.00 C ATOM 0 H PHE A 116 20.949 5.345 -13.649 1.00 0.00 H new ATOM 0 HA PHE A 116 20.343 2.449 -13.580 1.00 0.00 H new ATOM 0 HB2 PHE A 116 21.182 4.238 -15.899 1.00 0.00 H new ATOM 0 HB3 PHE A 116 20.927 2.507 -16.001 1.00 0.00 H new ATOM 0 HD1 PHE A 116 19.307 5.776 -15.777 1.00 0.00 H new ATOM 0 HD2 PHE A 116 18.652 1.566 -15.847 1.00 0.00 H new ATOM 0 HE1 PHE A 116 16.927 6.153 -16.254 1.00 0.00 H new ATOM 0 HE2 PHE A 116 16.274 1.944 -16.331 1.00 0.00 H new ATOM 0 HZ PHE A 116 15.408 4.240 -16.533 1.00 0.00 H new ATOM 1520 N GLU A 117 22.765 1.709 -13.970 1.00 0.00 N ATOM 1521 CA GLU A 117 24.162 1.299 -13.892 1.00 0.00 C ATOM 1522 C GLU A 117 24.895 1.588 -15.196 1.00 0.00 C ATOM 1523 O GLU A 117 26.091 1.878 -15.195 1.00 0.00 O ATOM 1524 CB GLU A 117 24.263 -0.191 -13.559 1.00 0.00 C ATOM 1525 CG GLU A 117 23.756 -0.561 -12.172 1.00 0.00 C ATOM 1526 CD GLU A 117 24.636 -0.040 -11.070 1.00 0.00 C ATOM 1527 OE1 GLU A 117 25.832 -0.167 -11.179 1.00 0.00 O ATOM 1528 OE2 GLU A 117 24.112 0.487 -10.116 1.00 0.00 O1- ATOM 0 H GLU A 117 22.112 0.947 -14.155 1.00 0.00 H new ATOM 0 HA GLU A 117 24.634 1.877 -13.097 1.00 0.00 H new ATOM 0 HB2 GLU A 117 23.699 -0.756 -14.301 1.00 0.00 H new ATOM 0 HB3 GLU A 117 25.304 -0.501 -13.646 1.00 0.00 H new ATOM 0 HG2 GLU A 117 22.748 -0.167 -12.042 1.00 0.00 H new ATOM 0 HG3 GLU A 117 23.687 -1.646 -12.093 1.00 0.00 H new ATOM 1535 N SER A 118 24.170 1.508 -16.306 1.00 0.00 N ATOM 1536 CA SER A 118 24.775 1.636 -17.627 1.00 0.00 C ATOM 1537 C SER A 118 23.759 2.120 -18.653 1.00 0.00 C ATOM 1538 O SER A 118 22.551 2.053 -18.425 1.00 0.00 O ATOM 1539 CB SER A 118 25.356 0.306 -18.066 1.00 0.00 C ATOM 1540 OG SER A 118 24.342 -0.633 -18.299 1.00 0.00 O ATOM 0 H SER A 118 23.162 1.355 -16.318 1.00 0.00 H new ATOM 0 HA SER A 118 25.573 2.375 -17.561 1.00 0.00 H new ATOM 0 HB2 SER A 118 25.944 0.444 -18.973 1.00 0.00 H new ATOM 0 HB3 SER A 118 26.035 -0.069 -17.300 1.00 0.00 H new ATOM 0 HG SER A 118 24.741 -1.482 -18.583 1.00 0.00 H new ATOM 1546 N GLU A 119 24.255 2.610 -19.785 1.00 0.00 N ATOM 1547 CA GLU A 119 23.395 2.979 -20.902 1.00 0.00 C ATOM 1548 C GLU A 119 22.580 1.787 -21.387 1.00 0.00 C ATOM 1549 O GLU A 119 21.417 1.931 -21.764 1.00 0.00 O ATOM 1550 CB GLU A 119 24.230 3.541 -22.055 1.00 0.00 C ATOM 1551 CG GLU A 119 23.415 4.000 -23.256 1.00 0.00 C ATOM 1552 CD GLU A 119 24.269 4.536 -24.372 1.00 0.00 C ATOM 1553 OE1 GLU A 119 25.454 4.666 -24.178 1.00 0.00 O ATOM 1554 OE2 GLU A 119 23.735 4.815 -25.419 1.00 0.00 O1- ATOM 0 H GLU A 119 25.250 2.761 -19.952 1.00 0.00 H new ATOM 0 HA GLU A 119 22.705 3.747 -20.552 1.00 0.00 H new ATOM 0 HB2 GLU A 119 24.817 4.382 -21.686 1.00 0.00 H new ATOM 0 HB3 GLU A 119 24.937 2.778 -22.381 1.00 0.00 H new ATOM 0 HG2 GLU A 119 22.823 3.164 -23.628 1.00 0.00 H new ATOM 0 HG3 GLU A 119 22.713 4.772 -22.939 1.00 0.00 H new ATOM 1561 N GLU A 120 23.197 0.611 -21.375 1.00 0.00 N ATOM 1562 CA GLU A 120 22.510 -0.618 -21.755 1.00 0.00 C ATOM 1563 C GLU A 120 21.257 -0.831 -20.915 1.00 0.00 C ATOM 1564 O GLU A 120 20.181 -1.105 -21.447 1.00 0.00 O ATOM 1565 CB GLU A 120 23.445 -1.820 -21.605 1.00 0.00 C ATOM 1566 CG GLU A 120 22.826 -3.152 -22.003 1.00 0.00 C ATOM 1567 CD GLU A 120 23.784 -4.304 -21.876 1.00 0.00 C ATOM 1568 OE1 GLU A 120 24.915 -4.075 -21.521 1.00 0.00 O ATOM 1569 OE2 GLU A 120 23.384 -5.415 -22.136 1.00 0.00 O1- ATOM 0 H GLU A 120 24.172 0.482 -21.106 1.00 0.00 H new ATOM 0 HA GLU A 120 22.212 -0.523 -22.799 1.00 0.00 H new ATOM 0 HB2 GLU A 120 24.334 -1.651 -22.212 1.00 0.00 H new ATOM 0 HB3 GLU A 120 23.774 -1.882 -20.568 1.00 0.00 H new ATOM 0 HG2 GLU A 120 21.953 -3.342 -21.379 1.00 0.00 H new ATOM 0 HG3 GLU A 120 22.475 -3.090 -23.033 1.00 0.00 H new ATOM 1576 N GLU A 121 21.402 -0.702 -19.601 1.00 0.00 N ATOM 1577 CA GLU A 121 20.280 -0.869 -18.685 1.00 0.00 C ATOM 1578 C GLU A 121 19.172 0.134 -18.982 1.00 0.00 C ATOM 1579 O GLU A 121 17.991 -0.213 -18.980 1.00 0.00 O ATOM 1580 CB GLU A 121 20.746 -0.715 -17.236 1.00 0.00 C ATOM 1581 CG GLU A 121 19.684 -1.043 -16.196 1.00 0.00 C ATOM 1582 CD GLU A 121 20.176 -0.878 -14.785 1.00 0.00 C ATOM 1583 OE1 GLU A 121 21.289 -0.443 -14.611 1.00 0.00 O ATOM 1584 OE2 GLU A 121 19.438 -1.188 -13.880 1.00 0.00 O1- ATOM 0 H GLU A 121 22.288 -0.482 -19.145 1.00 0.00 H new ATOM 0 HA GLU A 121 19.881 -1.873 -18.828 1.00 0.00 H new ATOM 0 HB2 GLU A 121 21.608 -1.362 -17.074 1.00 0.00 H new ATOM 0 HB3 GLU A 121 21.083 0.310 -17.083 1.00 0.00 H new ATOM 0 HG2 GLU A 121 18.819 -0.398 -16.352 1.00 0.00 H new ATOM 0 HG3 GLU A 121 19.346 -2.069 -16.340 1.00 0.00 H new ATOM 1591 N CYS A 122 19.561 1.378 -19.238 1.00 0.00 N ATOM 1592 CA CYS A 122 18.611 2.413 -19.626 1.00 0.00 C ATOM 1593 C CYS A 122 17.711 1.938 -20.760 1.00 0.00 C ATOM 1594 O CYS A 122 16.485 1.966 -20.646 1.00 0.00 O ATOM 1595 CB CYS A 122 19.345 3.681 -20.063 1.00 0.00 C ATOM 1596 SG CYS A 122 20.170 4.559 -18.714 1.00 0.00 S ATOM 0 H CYS A 122 20.529 1.694 -19.184 1.00 0.00 H new ATOM 0 HA CYS A 122 17.994 2.633 -18.755 1.00 0.00 H new ATOM 0 HB2 CYS A 122 20.086 3.417 -20.817 1.00 0.00 H new ATOM 0 HB3 CYS A 122 18.632 4.355 -20.538 1.00 0.00 H new ATOM 1601 N LYS A 123 18.326 1.501 -21.853 1.00 0.00 N ATOM 1602 CA LYS A 123 17.586 1.145 -23.058 1.00 0.00 C ATOM 1603 C LYS A 123 16.691 -0.063 -22.819 1.00 0.00 C ATOM 1604 O LYS A 123 15.528 -0.076 -23.222 1.00 0.00 O ATOM 1605 CB LYS A 123 18.548 0.867 -24.215 1.00 0.00 C ATOM 1606 CG LYS A 123 19.279 2.097 -24.736 1.00 0.00 C ATOM 1607 CD LYS A 123 20.268 1.729 -25.832 1.00 0.00 C ATOM 1608 CE LYS A 123 21.020 2.953 -26.333 1.00 0.00 C ATOM 1609 NZ LYS A 123 22.050 2.597 -27.347 1.00 0.00 N1+ ATOM 0 H LYS A 123 19.336 1.385 -21.930 1.00 0.00 H new ATOM 0 HA LYS A 123 16.951 1.991 -23.321 1.00 0.00 H new ATOM 0 HB2 LYS A 123 19.285 0.132 -23.890 1.00 0.00 H new ATOM 0 HB3 LYS A 123 17.989 0.417 -25.036 1.00 0.00 H new ATOM 0 HG2 LYS A 123 18.556 2.816 -25.122 1.00 0.00 H new ATOM 0 HG3 LYS A 123 19.806 2.584 -23.916 1.00 0.00 H new ATOM 0 HD2 LYS A 123 20.978 0.994 -25.452 1.00 0.00 H new ATOM 0 HD3 LYS A 123 19.737 1.261 -26.661 1.00 0.00 H new ATOM 0 HE2 LYS A 123 20.313 3.660 -26.767 1.00 0.00 H new ATOM 0 HE3 LYS A 123 21.498 3.455 -25.492 1.00 0.00 H new ATOM 0 HZ1 LYS A 123 22.539 3.459 -27.662 1.00 0.00 H new ATOM 0 HZ2 LYS A 123 22.739 1.942 -26.926 1.00 0.00 H new ATOM 0 HZ3 LYS A 123 21.592 2.141 -28.162 1.00 0.00 H new ATOM 1623 N GLU A 124 17.240 -1.078 -22.160 1.00 0.00 N ATOM 1624 CA GLU A 124 16.523 -2.330 -21.945 1.00 0.00 C ATOM 1625 C GLU A 124 15.391 -2.151 -20.941 1.00 0.00 C ATOM 1626 O GLU A 124 14.339 -2.778 -21.060 1.00 0.00 O ATOM 1627 CB GLU A 124 17.483 -3.417 -21.458 1.00 0.00 C ATOM 1628 CG GLU A 124 18.511 -3.858 -22.491 1.00 0.00 C ATOM 1629 CD GLU A 124 17.884 -4.380 -23.754 1.00 0.00 C ATOM 1630 OE1 GLU A 124 17.028 -5.227 -23.663 1.00 0.00 O ATOM 1631 OE2 GLU A 124 18.262 -3.932 -24.810 1.00 0.00 O1- ATOM 0 H GLU A 124 18.180 -1.058 -21.765 1.00 0.00 H new ATOM 0 HA GLU A 124 16.091 -2.635 -22.898 1.00 0.00 H new ATOM 0 HB2 GLU A 124 18.007 -3.052 -20.575 1.00 0.00 H new ATOM 0 HB3 GLU A 124 16.902 -4.286 -21.148 1.00 0.00 H new ATOM 0 HG2 GLU A 124 19.159 -3.016 -22.734 1.00 0.00 H new ATOM 0 HG3 GLU A 124 19.144 -4.633 -22.058 1.00 0.00 H new ATOM 1638 N THR A 125 15.614 -1.292 -19.953 1.00 0.00 N ATOM 1639 CA THR A 125 14.577 -0.949 -18.987 1.00 0.00 C ATOM 1640 C THR A 125 13.414 -0.232 -19.659 1.00 0.00 C ATOM 1641 O THR A 125 12.250 -0.506 -19.365 1.00 0.00 O ATOM 1642 CB THR A 125 15.142 -0.072 -17.855 1.00 0.00 C ATOM 1643 OG1 THR A 125 16.165 -0.791 -17.154 1.00 0.00 O ATOM 1644 CG2 THR A 125 14.041 0.315 -16.880 1.00 0.00 C ATOM 0 H THR A 125 16.505 -0.820 -19.800 1.00 0.00 H new ATOM 0 HA THR A 125 14.212 -1.883 -18.560 1.00 0.00 H new ATOM 0 HB THR A 125 15.561 0.834 -18.293 1.00 0.00 H new ATOM 0 HG1 THR A 125 17.043 -0.542 -17.511 1.00 0.00 H new ATOM 0 HG21 THR A 125 14.459 0.935 -16.087 1.00 0.00 H new ATOM 0 HG22 THR A 125 13.268 0.873 -17.407 1.00 0.00 H new ATOM 0 HG23 THR A 125 13.606 -0.585 -16.446 1.00 0.00 H new ATOM 1652 N CYS A 126 13.735 0.688 -20.562 1.00 0.00 N ATOM 1653 CA CYS A 126 12.717 1.408 -21.318 1.00 0.00 C ATOM 1654 C CYS A 126 11.942 0.467 -22.232 1.00 0.00 C ATOM 1655 O CYS A 126 10.749 0.657 -22.467 1.00 0.00 O ATOM 1656 CB CYS A 126 13.353 2.516 -22.157 1.00 0.00 C ATOM 1657 SG CYS A 126 14.056 3.868 -21.183 1.00 0.00 S ATOM 0 H CYS A 126 14.694 0.953 -20.788 1.00 0.00 H new ATOM 0 HA CYS A 126 12.026 1.849 -20.599 1.00 0.00 H new ATOM 0 HB2 CYS A 126 14.138 2.083 -22.777 1.00 0.00 H new ATOM 0 HB3 CYS A 126 12.601 2.922 -22.833 1.00 0.00 H new ATOM 1662 N LYS A 127 12.628 -0.548 -22.746 1.00 0.00 N ATOM 1663 CA LYS A 127 11.974 -1.615 -23.495 1.00 0.00 C ATOM 1664 C LYS A 127 11.012 -2.398 -22.611 1.00 0.00 C ATOM 1665 O LYS A 127 9.921 -2.772 -23.043 1.00 0.00 O ATOM 1666 CB LYS A 127 13.013 -2.557 -24.105 1.00 0.00 C ATOM 1667 CG LYS A 127 13.817 -1.951 -25.248 1.00 0.00 C ATOM 1668 CD LYS A 127 14.881 -2.917 -25.747 1.00 0.00 C ATOM 1669 CE LYS A 127 15.789 -2.258 -26.775 1.00 0.00 C ATOM 1670 NZ LYS A 127 16.878 -3.169 -27.221 1.00 0.00 N1+ ATOM 0 H LYS A 127 13.639 -0.654 -22.657 1.00 0.00 H new ATOM 0 HA LYS A 127 11.400 -1.154 -24.299 1.00 0.00 H new ATOM 0 HB2 LYS A 127 13.701 -2.876 -23.322 1.00 0.00 H new ATOM 0 HB3 LYS A 127 12.506 -3.451 -24.467 1.00 0.00 H new ATOM 0 HG2 LYS A 127 13.148 -1.689 -26.067 1.00 0.00 H new ATOM 0 HG3 LYS A 127 14.289 -1.027 -24.914 1.00 0.00 H new ATOM 0 HD2 LYS A 127 15.477 -3.271 -24.906 1.00 0.00 H new ATOM 0 HD3 LYS A 127 14.403 -3.791 -26.189 1.00 0.00 H new ATOM 0 HE2 LYS A 127 15.197 -1.951 -27.637 1.00 0.00 H new ATOM 0 HE3 LYS A 127 16.224 -1.354 -26.348 1.00 0.00 H new ATOM 0 HZ1 LYS A 127 17.503 -2.665 -27.882 1.00 0.00 H new ATOM 0 HZ2 LYS A 127 17.428 -3.483 -26.396 1.00 0.00 H new ATOM 0 HZ3 LYS A 127 16.465 -3.996 -27.697 1.00 0.00 H new ATOM 1684 N GLY A 128 11.422 -2.643 -21.371 1.00 0.00 N ATOM 1685 CA GLY A 128 10.582 -3.350 -20.412 1.00 0.00 C ATOM 1686 C GLY A 128 11.268 -4.610 -19.902 1.00 0.00 C ATOM 1687 O GLY A 128 10.618 -5.623 -19.645 1.00 0.00 O ATOM 0 H GLY A 128 12.332 -2.362 -21.006 1.00 0.00 H new ATOM 0 HA2 GLY A 128 10.352 -2.693 -19.573 1.00 0.00 H new ATOM 0 HA3 GLY A 128 9.634 -3.613 -20.880 1.00 0.00 H new ATOM 1691 N PHE A 129 12.587 -4.542 -19.756 1.00 0.00 N ATOM 1692 CA PHE A 129 13.363 -5.671 -19.258 1.00 0.00 C ATOM 1693 C PHE A 129 14.144 -5.294 -18.006 1.00 0.00 C ATOM 1694 O PHE A 129 14.592 -4.156 -17.861 1.00 0.00 O ATOM 1695 CB PHE A 129 14.327 -6.173 -20.334 1.00 0.00 C ATOM 1696 CG PHE A 129 13.644 -6.669 -21.576 1.00 0.00 C ATOM 1697 CD1 PHE A 129 13.518 -5.852 -22.690 1.00 0.00 C ATOM 1698 CD2 PHE A 129 13.125 -7.954 -21.634 1.00 0.00 C ATOM 1699 CE1 PHE A 129 12.889 -6.307 -23.833 1.00 0.00 C ATOM 1700 CE2 PHE A 129 12.497 -8.412 -22.776 1.00 0.00 C ATOM 1701 CZ PHE A 129 12.379 -7.587 -23.877 1.00 0.00 C ATOM 0 H PHE A 129 13.142 -3.715 -19.976 1.00 0.00 H new ATOM 0 HA PHE A 129 12.663 -6.466 -19.002 1.00 0.00 H new ATOM 0 HB2 PHE A 129 15.009 -5.366 -20.603 1.00 0.00 H new ATOM 0 HB3 PHE A 129 14.934 -6.977 -19.918 1.00 0.00 H new ATOM 0 HD1 PHE A 129 13.916 -4.848 -22.664 1.00 0.00 H new ATOM 0 HD2 PHE A 129 13.213 -8.604 -20.776 1.00 0.00 H new ATOM 0 HE1 PHE A 129 12.797 -5.659 -24.692 1.00 0.00 H new ATOM 0 HE2 PHE A 129 12.098 -9.415 -22.808 1.00 0.00 H new ATOM 0 HZ PHE A 129 11.888 -7.944 -24.771 1.00 0.00 H new