USER MOD reduce.3.24.130724 H: found=0, std=0, add=475, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 475 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 Single : A 0 SER OG : rot 180:sc= 0 USER MOD Single : A -4 GLY N :NH3+ -137:sc= 0.126 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0914) USER MOD Single : A 78 GLN : amide:sc= -0.18 X(o=-0.18,f=-0.18) USER MOD Single : A 79 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 80 THR OG1 : rot 180:sc= 0.168 USER MOD Single : A 84 GLN : amide:sc= -1.28! C(o=-1.3!,f=-1.5!) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 92 SER OG : rot 82:sc= 0.0616 USER MOD Single : A 94 GLN : amide:sc= -0.0307 K(o=-0.031,f=-1.4!) USER MOD Single : A 100 ASN : amide:sc= -0.214 K(o=-0.21,f=-3.5!) USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 102 GLN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 SER OG : rot -34:sc= 0.794 USER MOD Single : A 119 ASN : amide:sc= -0.662 K(o=-0.66,f=-2.3) USER MOD Single : A 120 SER OG : rot 85:sc= 0.259 USER MOD Single : A 121 CYS SG : rot -101:sc= 0.192 USER MOD Single : A 124 SER OG : rot 180:sc= 0 USER MOD Single : A 127 SER OG : rot 180:sc= 0 USER MOD Single : A 129 THR OG1 : rot 180:sc= 0 USER MOD Single : A 131 SER OG : rot 180:sc= -0.216 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -4 -1.725 -10.096 3.560 1.00 0.00 N ATOM 2 CA GLY A -4 -1.562 -11.296 4.429 1.00 0.00 C ATOM 3 C GLY A -4 -2.571 -12.364 4.016 1.00 0.00 C ATOM 4 O GLY A -4 -3.195 -12.268 2.960 1.00 0.00 O ATOM 0 H1 GLY A -4 -0.789 -9.741 3.279 1.00 0.00 H new ATOM 0 H2 GLY A -4 -2.266 -10.354 2.710 1.00 0.00 H new ATOM 0 H3 GLY A -4 -2.234 -9.355 4.083 1.00 0.00 H new ATOM 0 HA2 GLY A -4 -0.548 -11.686 4.342 1.00 0.00 H new ATOM 0 HA3 GLY A -4 -1.711 -11.024 5.474 1.00 0.00 H new ATOM 10 N PRO A -3 -2.738 -13.375 4.829 1.00 0.00 N ATOM 11 CA PRO A -3 -3.694 -14.493 4.548 1.00 0.00 C ATOM 12 C PRO A -3 -5.105 -13.982 4.254 1.00 0.00 C ATOM 13 O PRO A -3 -5.800 -14.512 3.387 1.00 0.00 O ATOM 14 CB PRO A -3 -3.664 -15.318 5.846 1.00 0.00 C ATOM 15 CG PRO A -3 -2.328 -15.031 6.446 1.00 0.00 C ATOM 16 CD PRO A -3 -2.032 -13.571 6.109 1.00 0.00 C ATOM 0 HA PRO A -3 -3.415 -15.066 3.664 1.00 0.00 H new ATOM 0 HB2 PRO A -3 -4.471 -15.027 6.519 1.00 0.00 H new ATOM 0 HB3 PRO A -3 -3.786 -16.382 5.642 1.00 0.00 H new ATOM 0 HG2 PRO A -3 -2.340 -15.190 7.524 1.00 0.00 H new ATOM 0 HG3 PRO A -3 -1.564 -15.691 6.035 1.00 0.00 H new ATOM 0 HD2 PRO A -3 -2.401 -12.896 6.881 1.00 0.00 H new ATOM 0 HD3 PRO A -3 -0.962 -13.388 6.011 1.00 0.00 H new ATOM 24 N LEU A -2 -5.519 -12.945 4.982 1.00 0.00 N ATOM 25 CA LEU A -2 -6.849 -12.359 4.799 1.00 0.00 C ATOM 26 C LEU A -2 -6.739 -11.019 4.082 1.00 0.00 C ATOM 27 O LEU A -2 -5.840 -10.223 4.361 1.00 0.00 O ATOM 28 CB LEU A -2 -7.514 -12.158 6.165 1.00 0.00 C ATOM 29 CG LEU A -2 -7.598 -13.498 6.905 1.00 0.00 C ATOM 30 CD1 LEU A -2 -8.203 -13.275 8.296 1.00 0.00 C ATOM 31 CD2 LEU A -2 -8.474 -14.487 6.113 1.00 0.00 C ATOM 0 H LEU A -2 -4.955 -12.494 5.702 1.00 0.00 H new ATOM 0 HA LEU A -2 -7.454 -13.035 4.195 1.00 0.00 H new ATOM 0 HB2 LEU A -2 -6.943 -11.441 6.755 1.00 0.00 H new ATOM 0 HB3 LEU A -2 -8.513 -11.741 6.036 1.00 0.00 H new ATOM 0 HG LEU A -2 -6.596 -13.914 7.004 1.00 0.00 H new ATOM 0 HD11 LEU A -2 -8.263 -14.227 8.823 1.00 0.00 H new ATOM 0 HD12 LEU A -2 -7.574 -12.587 8.860 1.00 0.00 H new ATOM 0 HD13 LEU A -2 -9.203 -12.852 8.195 1.00 0.00 H new ATOM 0 HD21 LEU A -2 -8.527 -15.435 6.648 1.00 0.00 H new ATOM 0 HD22 LEU A -2 -9.478 -14.076 6.003 1.00 0.00 H new ATOM 0 HD23 LEU A -2 -8.038 -14.650 5.127 1.00 0.00 H new ATOM 43 N GLY A -1 -7.654 -10.775 3.151 1.00 0.00 N ATOM 44 CA GLY A -1 -7.641 -9.528 2.398 1.00 0.00 C ATOM 45 C GLY A -1 -6.453 -9.485 1.447 1.00 0.00 C ATOM 46 O GLY A -1 -5.894 -8.420 1.185 1.00 0.00 O ATOM 0 H GLY A -1 -8.406 -11.417 2.902 1.00 0.00 H new ATOM 0 HA2 GLY A -1 -8.568 -9.429 1.834 1.00 0.00 H new ATOM 0 HA3 GLY A -1 -7.594 -8.683 3.085 1.00 0.00 H new ATOM 50 N SER A 0 -6.067 -10.649 0.937 1.00 0.00 N ATOM 51 CA SER A 0 -4.938 -10.731 0.022 1.00 0.00 C ATOM 52 C SER A 0 -5.202 -9.902 -1.231 1.00 0.00 C ATOM 53 O SER A 0 -6.317 -9.867 -1.745 1.00 0.00 O ATOM 54 CB SER A 0 -4.689 -12.186 -0.380 1.00 0.00 C ATOM 55 OG SER A 0 -3.603 -12.239 -1.296 1.00 0.00 O ATOM 0 H SER A 0 -6.516 -11.542 1.140 1.00 0.00 H new ATOM 0 HA SER A 0 -4.058 -10.338 0.532 1.00 0.00 H new ATOM 0 HB2 SER A 0 -4.466 -12.786 0.502 1.00 0.00 H new ATOM 0 HB3 SER A 0 -5.585 -12.608 -0.835 1.00 0.00 H new ATOM 0 HG SER A 0 -3.439 -13.170 -1.555 1.00 0.00 H new ATOM 61 N ARG A 74 -4.153 -9.244 -1.712 1.00 0.00 N ATOM 62 CA ARG A 74 -4.248 -8.417 -2.909 1.00 0.00 C ATOM 63 C ARG A 74 -4.454 -9.287 -4.148 1.00 0.00 C ATOM 64 O ARG A 74 -4.095 -10.463 -4.167 1.00 0.00 O ATOM 65 CB ARG A 74 -2.980 -7.550 -3.064 1.00 0.00 C ATOM 66 CG ARG A 74 -1.757 -8.290 -2.509 1.00 0.00 C ATOM 67 CD ARG A 74 -1.625 -9.661 -3.177 1.00 0.00 C ATOM 68 NE ARG A 74 -0.264 -10.163 -3.030 1.00 0.00 N ATOM 69 CZ ARG A 74 0.124 -10.776 -1.916 1.00 0.00 C ATOM 70 NH1 ARG A 74 -0.718 -10.931 -0.931 1.00 0.00 N ATOM 71 NH2 ARG A 74 1.343 -11.223 -1.813 1.00 0.00 N ATOM 0 H ARG A 74 -3.225 -9.268 -1.290 1.00 0.00 H new ATOM 0 HA ARG A 74 -5.110 -7.758 -2.805 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -2.822 -7.310 -4.115 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -3.111 -6.605 -2.537 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -0.856 -7.703 -2.685 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -1.853 -8.410 -1.430 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -2.329 -10.362 -2.729 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -1.880 -9.585 -4.234 1.00 0.00 H new ATOM 0 HE ARG A 74 0.401 -10.042 -3.794 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -1.673 -10.582 -1.016 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -0.421 -11.401 -0.076 1.00 0.00 H new ATOM 0 HH21 ARG A 74 1.997 -11.102 -2.586 1.00 0.00 H new ATOM 0 HH22 ARG A 74 1.643 -11.694 -0.959 1.00 0.00 H new ATOM 85 N LYS A 75 -5.045 -8.699 -5.179 1.00 0.00 N ATOM 86 CA LYS A 75 -5.306 -9.426 -6.413 1.00 0.00 C ATOM 87 C LYS A 75 -3.995 -9.906 -7.023 1.00 0.00 C ATOM 88 O LYS A 75 -2.950 -9.283 -6.843 1.00 0.00 O ATOM 89 CB LYS A 75 -6.020 -8.511 -7.407 1.00 0.00 C ATOM 90 CG LYS A 75 -7.276 -7.908 -6.762 1.00 0.00 C ATOM 91 CD LYS A 75 -8.296 -9.008 -6.451 1.00 0.00 C ATOM 92 CE LYS A 75 -9.653 -8.373 -6.145 1.00 0.00 C ATOM 93 NZ LYS A 75 -9.559 -7.583 -4.885 1.00 0.00 N ATOM 0 H LYS A 75 -5.351 -7.726 -5.186 1.00 0.00 H new ATOM 0 HA LYS A 75 -5.936 -10.287 -6.189 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -5.348 -7.715 -7.727 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -6.295 -9.074 -8.299 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -7.006 -7.384 -5.845 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -7.719 -7.171 -7.432 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -8.383 -9.688 -7.299 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -7.960 -9.601 -5.600 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -9.959 -7.728 -6.969 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -10.414 -9.147 -6.046 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -10.508 -7.264 -4.604 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -9.156 -8.177 -4.132 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -8.947 -6.756 -5.038 1.00 0.00 H new ATOM 107 N ILE A 76 -4.058 -11.024 -7.738 1.00 0.00 N ATOM 108 CA ILE A 76 -2.866 -11.587 -8.360 1.00 0.00 C ATOM 109 C ILE A 76 -2.461 -10.761 -9.575 1.00 0.00 C ATOM 110 O ILE A 76 -3.266 -10.527 -10.477 1.00 0.00 O ATOM 111 CB ILE A 76 -3.140 -13.030 -8.789 1.00 0.00 C ATOM 112 CG1 ILE A 76 -3.654 -13.841 -7.589 1.00 0.00 C ATOM 113 CG2 ILE A 76 -1.860 -13.666 -9.340 1.00 0.00 C ATOM 114 CD1 ILE A 76 -2.658 -13.785 -6.421 1.00 0.00 C ATOM 0 H ILE A 76 -4.914 -11.554 -7.900 1.00 0.00 H new ATOM 0 HA ILE A 76 -2.052 -11.571 -7.635 1.00 0.00 H new ATOM 0 HB ILE A 76 -3.899 -13.030 -9.572 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -4.619 -13.450 -7.268 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -3.813 -14.877 -7.887 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -2.065 -14.693 -9.643 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -1.512 -13.096 -10.202 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -1.090 -13.662 -8.568 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -3.045 -14.367 -5.584 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -1.701 -14.199 -6.739 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -2.520 -12.750 -6.110 1.00 0.00 H new ATOM 126 N ALA A 77 -1.208 -10.322 -9.587 1.00 0.00 N ATOM 127 CA ALA A 77 -0.690 -9.520 -10.691 1.00 0.00 C ATOM 128 C ALA A 77 -0.202 -10.420 -11.818 1.00 0.00 C ATOM 129 O ALA A 77 -0.102 -11.638 -11.657 1.00 0.00 O ATOM 130 CB ALA A 77 0.460 -8.634 -10.204 1.00 0.00 C ATOM 0 H ALA A 77 -0.532 -10.507 -8.846 1.00 0.00 H new ATOM 0 HA ALA A 77 -1.495 -8.889 -11.067 1.00 0.00 H new ATOM 0 HB1 ALA A 77 0.839 -8.040 -11.036 1.00 0.00 H new ATOM 0 HB2 ALA A 77 0.100 -7.970 -9.418 1.00 0.00 H new ATOM 0 HB3 ALA A 77 1.261 -9.261 -9.811 1.00 0.00 H new ATOM 136 N GLN A 78 0.096 -9.815 -12.960 1.00 0.00 N ATOM 137 CA GLN A 78 0.567 -10.574 -14.113 1.00 0.00 C ATOM 138 C GLN A 78 1.929 -11.194 -13.822 1.00 0.00 C ATOM 139 O GLN A 78 2.785 -10.572 -13.192 1.00 0.00 O ATOM 140 CB GLN A 78 0.673 -9.649 -15.327 1.00 0.00 C ATOM 141 CG GLN A 78 -0.700 -9.047 -15.641 1.00 0.00 C ATOM 142 CD GLN A 78 -1.691 -10.151 -15.995 1.00 0.00 C ATOM 143 OE1 GLN A 78 -1.483 -10.886 -16.960 1.00 0.00 O ATOM 144 NE2 GLN A 78 -2.756 -10.318 -15.260 1.00 0.00 N ATOM 0 H GLN A 78 0.021 -8.809 -13.114 1.00 0.00 H new ATOM 0 HA GLN A 78 -0.145 -11.373 -14.322 1.00 0.00 H new ATOM 0 HB2 GLN A 78 1.392 -8.854 -15.129 1.00 0.00 H new ATOM 0 HB3 GLN A 78 1.042 -10.205 -16.189 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -1.063 -8.484 -14.781 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -0.616 -8.344 -16.470 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -2.925 -9.707 -14.461 1.00 0.00 H new ATOM 0 HE22 GLN A 78 -3.419 -11.060 -15.484 1.00 0.00 H new ATOM 153 N MET A 79 2.119 -12.424 -14.285 1.00 0.00 N ATOM 154 CA MET A 79 3.378 -13.127 -14.071 1.00 0.00 C ATOM 155 C MET A 79 4.435 -12.641 -15.058 1.00 0.00 C ATOM 156 O MET A 79 4.181 -12.543 -16.258 1.00 0.00 O ATOM 157 CB MET A 79 3.166 -14.640 -14.240 1.00 0.00 C ATOM 158 CG MET A 79 2.218 -14.908 -15.417 1.00 0.00 C ATOM 159 SD MET A 79 0.505 -14.818 -14.841 1.00 0.00 S ATOM 160 CE MET A 79 -0.286 -15.223 -16.416 1.00 0.00 C ATOM 0 H MET A 79 1.421 -12.953 -14.808 1.00 0.00 H new ATOM 0 HA MET A 79 3.724 -12.921 -13.058 1.00 0.00 H new ATOM 0 HB2 MET A 79 4.123 -15.133 -14.413 1.00 0.00 H new ATOM 0 HB3 MET A 79 2.751 -15.062 -13.325 1.00 0.00 H new ATOM 0 HG2 MET A 79 2.386 -14.177 -16.208 1.00 0.00 H new ATOM 0 HG3 MET A 79 2.419 -15.891 -15.844 1.00 0.00 H new ATOM 0 HE1 MET A 79 -1.369 -15.224 -16.290 1.00 0.00 H new ATOM 0 HE2 MET A 79 -0.008 -14.480 -17.164 1.00 0.00 H new ATOM 0 HE3 MET A 79 0.042 -16.209 -16.745 1.00 0.00 H new ATOM 170 N THR A 80 5.624 -12.344 -14.544 1.00 0.00 N ATOM 171 CA THR A 80 6.716 -11.877 -15.388 1.00 0.00 C ATOM 172 C THR A 80 7.354 -13.048 -16.128 1.00 0.00 C ATOM 173 O THR A 80 7.134 -14.209 -15.779 1.00 0.00 O ATOM 174 CB THR A 80 7.771 -11.170 -14.537 1.00 0.00 C ATOM 175 OG1 THR A 80 8.343 -12.100 -13.629 1.00 0.00 O ATOM 176 CG2 THR A 80 7.115 -10.029 -13.759 1.00 0.00 C ATOM 0 H THR A 80 5.855 -12.418 -13.553 1.00 0.00 H new ATOM 0 HA THR A 80 6.313 -11.175 -16.118 1.00 0.00 H new ATOM 0 HB THR A 80 8.551 -10.766 -15.182 1.00 0.00 H new ATOM 0 HG1 THR A 80 9.021 -11.650 -13.083 1.00 0.00 H new ATOM 0 HG21 THR A 80 7.866 -9.524 -13.152 1.00 0.00 H new ATOM 0 HG22 THR A 80 6.675 -9.318 -14.458 1.00 0.00 H new ATOM 0 HG23 THR A 80 6.335 -10.431 -13.112 1.00 0.00 H new ATOM 184 N GLU A 81 8.141 -12.740 -17.152 1.00 0.00 N ATOM 185 CA GLU A 81 8.802 -13.780 -17.932 1.00 0.00 C ATOM 186 C GLU A 81 9.765 -14.579 -17.058 1.00 0.00 C ATOM 187 O GLU A 81 9.839 -15.804 -17.162 1.00 0.00 O ATOM 188 CB GLU A 81 9.572 -13.147 -19.093 1.00 0.00 C ATOM 189 CG GLU A 81 8.585 -12.552 -20.102 1.00 0.00 C ATOM 190 CD GLU A 81 7.823 -13.669 -20.805 1.00 0.00 C ATOM 191 OE1 GLU A 81 8.296 -14.793 -20.777 1.00 0.00 O ATOM 192 OE2 GLU A 81 6.774 -13.385 -21.363 1.00 0.00 O ATOM 0 H GLU A 81 8.336 -11.787 -17.460 1.00 0.00 H new ATOM 0 HA GLU A 81 8.040 -14.455 -18.322 1.00 0.00 H new ATOM 0 HB2 GLU A 81 10.238 -12.370 -18.719 1.00 0.00 H new ATOM 0 HB3 GLU A 81 10.197 -13.896 -19.579 1.00 0.00 H new ATOM 0 HG2 GLU A 81 7.886 -11.889 -19.592 1.00 0.00 H new ATOM 0 HG3 GLU A 81 9.121 -11.948 -20.835 1.00 0.00 H new ATOM 199 N GLU A 82 10.496 -13.882 -16.196 1.00 0.00 N ATOM 200 CA GLU A 82 11.446 -14.541 -15.308 1.00 0.00 C ATOM 201 C GLU A 82 10.719 -15.442 -14.314 1.00 0.00 C ATOM 202 O GLU A 82 11.181 -16.540 -14.005 1.00 0.00 O ATOM 203 CB GLU A 82 12.278 -13.495 -14.554 1.00 0.00 C ATOM 204 CG GLU A 82 13.329 -14.186 -13.672 1.00 0.00 C ATOM 205 CD GLU A 82 14.312 -14.963 -14.542 1.00 0.00 C ATOM 206 OE1 GLU A 82 14.408 -14.649 -15.717 1.00 0.00 O ATOM 207 OE2 GLU A 82 14.954 -15.860 -14.020 1.00 0.00 O ATOM 0 H GLU A 82 10.450 -12.868 -16.093 1.00 0.00 H new ATOM 0 HA GLU A 82 12.111 -15.157 -15.913 1.00 0.00 H new ATOM 0 HB2 GLU A 82 12.769 -12.830 -15.264 1.00 0.00 H new ATOM 0 HB3 GLU A 82 11.626 -12.877 -13.938 1.00 0.00 H new ATOM 0 HG2 GLU A 82 13.863 -13.443 -13.080 1.00 0.00 H new ATOM 0 HG3 GLU A 82 12.839 -14.861 -12.970 1.00 0.00 H new ATOM 214 N GLU A 83 9.587 -14.965 -13.804 1.00 0.00 N ATOM 215 CA GLU A 83 8.819 -15.734 -12.831 1.00 0.00 C ATOM 216 C GLU A 83 8.339 -17.043 -13.444 1.00 0.00 C ATOM 217 O GLU A 83 8.398 -18.095 -12.808 1.00 0.00 O ATOM 218 CB GLU A 83 7.615 -14.917 -12.352 1.00 0.00 C ATOM 219 CG GLU A 83 6.830 -15.713 -11.305 1.00 0.00 C ATOM 220 CD GLU A 83 5.685 -14.867 -10.757 1.00 0.00 C ATOM 221 OE1 GLU A 83 4.860 -14.437 -11.548 1.00 0.00 O ATOM 222 OE2 GLU A 83 5.649 -14.661 -9.555 1.00 0.00 O ATOM 0 H GLU A 83 9.185 -14.059 -14.045 1.00 0.00 H new ATOM 0 HA GLU A 83 9.464 -15.960 -11.982 1.00 0.00 H new ATOM 0 HB2 GLU A 83 7.952 -13.972 -11.926 1.00 0.00 H new ATOM 0 HB3 GLU A 83 6.970 -14.674 -13.196 1.00 0.00 H new ATOM 0 HG2 GLU A 83 6.437 -16.627 -11.750 1.00 0.00 H new ATOM 0 HG3 GLU A 83 7.492 -16.013 -10.493 1.00 0.00 H new ATOM 229 N GLN A 84 7.871 -16.977 -14.683 1.00 0.00 N ATOM 230 CA GLN A 84 7.387 -18.171 -15.364 1.00 0.00 C ATOM 231 C GLN A 84 8.524 -19.173 -15.534 1.00 0.00 C ATOM 232 O GLN A 84 8.341 -20.376 -15.350 1.00 0.00 O ATOM 233 CB GLN A 84 6.829 -17.788 -16.733 1.00 0.00 C ATOM 234 CG GLN A 84 5.532 -16.998 -16.553 1.00 0.00 C ATOM 235 CD GLN A 84 5.087 -16.414 -17.890 1.00 0.00 C ATOM 236 OE1 GLN A 84 5.916 -16.164 -18.764 1.00 0.00 O ATOM 237 NE2 GLN A 84 3.822 -16.175 -18.099 1.00 0.00 N ATOM 0 H GLN A 84 7.816 -16.119 -15.233 1.00 0.00 H new ATOM 0 HA GLN A 84 6.599 -18.628 -14.766 1.00 0.00 H new ATOM 0 HB2 GLN A 84 7.558 -17.191 -17.280 1.00 0.00 H new ATOM 0 HB3 GLN A 84 6.642 -18.684 -17.325 1.00 0.00 H new ATOM 0 HG2 GLN A 84 4.753 -17.648 -16.153 1.00 0.00 H new ATOM 0 HG3 GLN A 84 5.682 -16.197 -15.829 1.00 0.00 H new ATOM 0 HE21 GLN A 84 3.137 -16.383 -17.373 1.00 0.00 H new ATOM 0 HE22 GLN A 84 3.518 -15.780 -18.989 1.00 0.00 H new ATOM 246 N PHE A 85 9.701 -18.664 -15.882 1.00 0.00 N ATOM 247 CA PHE A 85 10.869 -19.515 -16.071 1.00 0.00 C ATOM 248 C PHE A 85 11.248 -20.192 -14.758 1.00 0.00 C ATOM 249 O PHE A 85 11.581 -21.377 -14.728 1.00 0.00 O ATOM 250 CB PHE A 85 12.045 -18.685 -16.583 1.00 0.00 C ATOM 251 CG PHE A 85 13.186 -19.603 -16.951 1.00 0.00 C ATOM 252 CD1 PHE A 85 13.186 -20.251 -18.192 1.00 0.00 C ATOM 253 CD2 PHE A 85 14.245 -19.805 -16.057 1.00 0.00 C ATOM 254 CE1 PHE A 85 14.242 -21.100 -18.540 1.00 0.00 C ATOM 255 CE2 PHE A 85 15.302 -20.655 -16.405 1.00 0.00 C ATOM 256 CZ PHE A 85 15.301 -21.303 -17.647 1.00 0.00 C ATOM 0 H PHE A 85 9.871 -17.670 -16.038 1.00 0.00 H new ATOM 0 HA PHE A 85 10.626 -20.282 -16.807 1.00 0.00 H new ATOM 0 HB2 PHE A 85 11.741 -18.100 -17.451 1.00 0.00 H new ATOM 0 HB3 PHE A 85 12.365 -17.978 -15.818 1.00 0.00 H new ATOM 0 HD1 PHE A 85 12.370 -20.095 -18.882 1.00 0.00 H new ATOM 0 HD2 PHE A 85 14.246 -19.305 -15.100 1.00 0.00 H new ATOM 0 HE1 PHE A 85 14.240 -21.599 -19.498 1.00 0.00 H new ATOM 0 HE2 PHE A 85 16.118 -20.811 -15.715 1.00 0.00 H new ATOM 0 HZ PHE A 85 16.116 -21.958 -17.915 1.00 0.00 H new ATOM 266 N ALA A 86 11.199 -19.426 -13.671 1.00 0.00 N ATOM 267 CA ALA A 86 11.545 -19.957 -12.358 1.00 0.00 C ATOM 268 C ALA A 86 10.625 -21.117 -11.995 1.00 0.00 C ATOM 269 O ALA A 86 11.066 -22.121 -11.437 1.00 0.00 O ATOM 270 CB ALA A 86 11.420 -18.856 -11.303 1.00 0.00 C ATOM 0 H ALA A 86 10.925 -18.443 -13.674 1.00 0.00 H new ATOM 0 HA ALA A 86 12.573 -20.317 -12.388 1.00 0.00 H new ATOM 0 HB1 ALA A 86 11.680 -19.259 -10.324 1.00 0.00 H new ATOM 0 HB2 ALA A 86 12.096 -18.037 -11.550 1.00 0.00 H new ATOM 0 HB3 ALA A 86 10.395 -18.486 -11.283 1.00 0.00 H new ATOM 276 N LEU A 87 9.347 -20.979 -12.326 1.00 0.00 N ATOM 277 CA LEU A 87 8.380 -22.031 -12.035 1.00 0.00 C ATOM 278 C LEU A 87 8.740 -23.309 -12.785 1.00 0.00 C ATOM 279 O LEU A 87 8.619 -24.410 -12.246 1.00 0.00 O ATOM 280 CB LEU A 87 6.976 -21.577 -12.438 1.00 0.00 C ATOM 281 CG LEU A 87 6.485 -20.482 -11.476 1.00 0.00 C ATOM 282 CD1 LEU A 87 5.183 -19.881 -12.021 1.00 0.00 C ATOM 283 CD2 LEU A 87 6.247 -21.069 -10.066 1.00 0.00 C ATOM 0 H LEU A 87 8.959 -20.158 -12.791 1.00 0.00 H new ATOM 0 HA LEU A 87 8.401 -22.233 -10.964 1.00 0.00 H new ATOM 0 HB2 LEU A 87 6.986 -21.198 -13.460 1.00 0.00 H new ATOM 0 HB3 LEU A 87 6.291 -22.424 -12.419 1.00 0.00 H new ATOM 0 HG LEU A 87 7.245 -19.704 -11.400 1.00 0.00 H new ATOM 0 HD11 LEU A 87 4.829 -19.104 -11.343 1.00 0.00 H new ATOM 0 HD12 LEU A 87 5.366 -19.449 -13.005 1.00 0.00 H new ATOM 0 HD13 LEU A 87 4.428 -20.663 -12.102 1.00 0.00 H new ATOM 0 HD21 LEU A 87 5.900 -20.281 -9.398 1.00 0.00 H new ATOM 0 HD22 LEU A 87 5.494 -21.855 -10.122 1.00 0.00 H new ATOM 0 HD23 LEU A 87 7.179 -21.485 -9.683 1.00 0.00 H new ATOM 295 N ALA A 88 9.180 -23.159 -14.028 1.00 0.00 N ATOM 296 CA ALA A 88 9.552 -24.314 -14.836 1.00 0.00 C ATOM 297 C ALA A 88 10.706 -25.072 -14.187 1.00 0.00 C ATOM 298 O ALA A 88 10.704 -26.302 -14.135 1.00 0.00 O ATOM 299 CB ALA A 88 9.966 -23.855 -16.233 1.00 0.00 C ATOM 0 H ALA A 88 9.287 -22.259 -14.495 1.00 0.00 H new ATOM 0 HA ALA A 88 8.691 -24.978 -14.909 1.00 0.00 H new ATOM 0 HB1 ALA A 88 10.243 -24.721 -16.833 1.00 0.00 H new ATOM 0 HB2 ALA A 88 9.133 -23.336 -16.707 1.00 0.00 H new ATOM 0 HB3 ALA A 88 10.818 -23.179 -16.156 1.00 0.00 H new ATOM 305 N LEU A 89 11.685 -24.328 -13.681 1.00 0.00 N ATOM 306 CA LEU A 89 12.835 -24.940 -13.026 1.00 0.00 C ATOM 307 C LEU A 89 12.417 -25.558 -11.696 1.00 0.00 C ATOM 308 O LEU A 89 12.968 -26.574 -11.275 1.00 0.00 O ATOM 309 CB LEU A 89 13.941 -23.886 -12.798 1.00 0.00 C ATOM 310 CG LEU A 89 14.879 -23.828 -14.012 1.00 0.00 C ATOM 311 CD1 LEU A 89 14.096 -23.371 -15.242 1.00 0.00 C ATOM 312 CD2 LEU A 89 16.013 -22.840 -13.731 1.00 0.00 C ATOM 0 H LEU A 89 11.705 -23.309 -13.712 1.00 0.00 H new ATOM 0 HA LEU A 89 13.227 -25.727 -13.670 1.00 0.00 H new ATOM 0 HB2 LEU A 89 13.491 -22.907 -12.630 1.00 0.00 H new ATOM 0 HB3 LEU A 89 14.510 -24.134 -11.902 1.00 0.00 H new ATOM 0 HG LEU A 89 15.296 -24.818 -14.197 1.00 0.00 H new ATOM 0 HD11 LEU A 89 14.763 -23.330 -16.103 1.00 0.00 H new ATOM 0 HD12 LEU A 89 13.288 -24.075 -15.441 1.00 0.00 H new ATOM 0 HD13 LEU A 89 13.678 -22.381 -15.060 1.00 0.00 H new ATOM 0 HD21 LEU A 89 16.680 -22.797 -14.592 1.00 0.00 H new ATOM 0 HD22 LEU A 89 15.596 -21.850 -13.546 1.00 0.00 H new ATOM 0 HD23 LEU A 89 16.572 -23.168 -12.855 1.00 0.00 H new ATOM 324 N LYS A 90 11.461 -24.929 -11.032 1.00 0.00 N ATOM 325 CA LYS A 90 11.010 -25.424 -9.743 1.00 0.00 C ATOM 326 C LYS A 90 10.392 -26.809 -9.892 1.00 0.00 C ATOM 327 O LYS A 90 10.636 -27.697 -9.074 1.00 0.00 O ATOM 328 CB LYS A 90 9.958 -24.470 -9.167 1.00 0.00 C ATOM 329 CG LYS A 90 9.714 -24.794 -7.678 1.00 0.00 C ATOM 330 CD LYS A 90 10.693 -23.998 -6.793 1.00 0.00 C ATOM 331 CE LYS A 90 10.130 -22.596 -6.522 1.00 0.00 C ATOM 332 NZ LYS A 90 11.071 -21.843 -5.645 1.00 0.00 N ATOM 0 H LYS A 90 10.988 -24.086 -11.359 1.00 0.00 H new ATOM 0 HA LYS A 90 11.868 -25.484 -9.074 1.00 0.00 H new ATOM 0 HB2 LYS A 90 10.293 -23.438 -9.273 1.00 0.00 H new ATOM 0 HB3 LYS A 90 9.026 -24.562 -9.726 1.00 0.00 H new ATOM 0 HG2 LYS A 90 8.687 -24.549 -7.408 1.00 0.00 H new ATOM 0 HG3 LYS A 90 9.842 -25.862 -7.505 1.00 0.00 H new ATOM 0 HD2 LYS A 90 10.855 -24.523 -5.851 1.00 0.00 H new ATOM 0 HD3 LYS A 90 11.662 -23.921 -7.286 1.00 0.00 H new ATOM 0 HE2 LYS A 90 9.986 -22.063 -7.462 1.00 0.00 H new ATOM 0 HE3 LYS A 90 9.153 -22.671 -6.045 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 10.690 -20.893 -5.461 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 11.187 -22.350 -4.744 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 11.994 -21.760 -6.117 1.00 0.00 H new ATOM 346 N MET A 91 9.599 -26.994 -10.941 1.00 0.00 N ATOM 347 CA MET A 91 8.959 -28.283 -11.181 1.00 0.00 C ATOM 348 C MET A 91 10.007 -29.346 -11.505 1.00 0.00 C ATOM 349 O MET A 91 9.931 -30.478 -11.025 1.00 0.00 O ATOM 350 CB MET A 91 7.976 -28.159 -12.347 1.00 0.00 C ATOM 351 CG MET A 91 6.813 -27.245 -11.948 1.00 0.00 C ATOM 352 SD MET A 91 5.826 -28.034 -10.651 1.00 0.00 S ATOM 353 CE MET A 91 4.638 -26.688 -10.422 1.00 0.00 C ATOM 0 H MET A 91 9.385 -26.276 -11.633 1.00 0.00 H new ATOM 0 HA MET A 91 8.423 -28.582 -10.280 1.00 0.00 H new ATOM 0 HB2 MET A 91 8.485 -27.755 -13.222 1.00 0.00 H new ATOM 0 HB3 MET A 91 7.599 -29.144 -12.623 1.00 0.00 H new ATOM 0 HG2 MET A 91 7.196 -26.288 -11.594 1.00 0.00 H new ATOM 0 HG3 MET A 91 6.188 -27.037 -12.817 1.00 0.00 H new ATOM 0 HE1 MET A 91 3.919 -26.964 -9.651 1.00 0.00 H new ATOM 0 HE2 MET A 91 5.166 -25.784 -10.119 1.00 0.00 H new ATOM 0 HE3 MET A 91 4.112 -26.504 -11.359 1.00 0.00 H new ATOM 363 N SER A 92 10.986 -28.964 -12.320 1.00 0.00 N ATOM 364 CA SER A 92 12.054 -29.877 -12.706 1.00 0.00 C ATOM 365 C SER A 92 12.920 -30.232 -11.502 1.00 0.00 C ATOM 366 O SER A 92 13.371 -31.369 -11.363 1.00 0.00 O ATOM 367 CB SER A 92 12.922 -29.247 -13.795 1.00 0.00 C ATOM 368 OG SER A 92 12.140 -29.060 -14.967 1.00 0.00 O ATOM 0 H SER A 92 11.061 -28.031 -12.724 1.00 0.00 H new ATOM 0 HA SER A 92 11.598 -30.789 -13.093 1.00 0.00 H new ATOM 0 HB2 SER A 92 13.319 -28.292 -13.452 1.00 0.00 H new ATOM 0 HB3 SER A 92 13.776 -29.888 -14.012 1.00 0.00 H new ATOM 0 HG SER A 92 11.617 -28.236 -14.883 1.00 0.00 H new ATOM 374 N GLU A 93 13.158 -29.249 -10.644 1.00 0.00 N ATOM 375 CA GLU A 93 13.987 -29.468 -9.467 1.00 0.00 C ATOM 376 C GLU A 93 13.347 -30.501 -8.548 1.00 0.00 C ATOM 377 O GLU A 93 14.032 -31.365 -8.002 1.00 0.00 O ATOM 378 CB GLU A 93 14.163 -28.150 -8.705 1.00 0.00 C ATOM 379 CG GLU A 93 15.168 -28.334 -7.561 1.00 0.00 C ATOM 380 CD GLU A 93 14.509 -29.041 -6.379 1.00 0.00 C ATOM 381 OE1 GLU A 93 13.306 -28.908 -6.224 1.00 0.00 O ATOM 382 OE2 GLU A 93 15.219 -29.710 -5.648 1.00 0.00 O ATOM 0 H GLU A 93 12.793 -28.301 -10.739 1.00 0.00 H new ATOM 0 HA GLU A 93 14.960 -29.838 -9.792 1.00 0.00 H new ATOM 0 HB2 GLU A 93 14.511 -27.372 -9.384 1.00 0.00 H new ATOM 0 HB3 GLU A 93 13.203 -27.820 -8.307 1.00 0.00 H new ATOM 0 HG2 GLU A 93 16.022 -28.915 -7.909 1.00 0.00 H new ATOM 0 HG3 GLU A 93 15.550 -27.363 -7.245 1.00 0.00 H new ATOM 389 N GLN A 94 12.034 -30.408 -8.376 1.00 0.00 N ATOM 390 CA GLN A 94 11.329 -31.349 -7.512 1.00 0.00 C ATOM 391 C GLN A 94 11.445 -32.771 -8.060 1.00 0.00 C ATOM 392 O GLN A 94 11.692 -33.719 -7.313 1.00 0.00 O ATOM 393 CB GLN A 94 9.853 -30.952 -7.425 1.00 0.00 C ATOM 394 CG GLN A 94 9.720 -29.650 -6.632 1.00 0.00 C ATOM 395 CD GLN A 94 8.289 -29.128 -6.725 1.00 0.00 C ATOM 396 OE1 GLN A 94 7.609 -29.349 -7.727 1.00 0.00 O ATOM 397 NE2 GLN A 94 7.787 -28.447 -5.730 1.00 0.00 N ATOM 0 H GLN A 94 11.443 -29.702 -8.815 1.00 0.00 H new ATOM 0 HA GLN A 94 11.779 -31.320 -6.520 1.00 0.00 H new ATOM 0 HB2 GLN A 94 9.440 -30.824 -8.426 1.00 0.00 H new ATOM 0 HB3 GLN A 94 9.280 -31.744 -6.943 1.00 0.00 H new ATOM 0 HG2 GLN A 94 9.987 -29.821 -5.589 1.00 0.00 H new ATOM 0 HG3 GLN A 94 10.414 -28.905 -7.021 1.00 0.00 H new ATOM 0 HE21 GLN A 94 8.352 -28.265 -4.900 1.00 0.00 H new ATOM 0 HE22 GLN A 94 6.830 -28.097 -5.783 1.00 0.00 H new ATOM 406 N GLU A 95 11.281 -32.908 -9.373 1.00 0.00 N ATOM 407 CA GLU A 95 11.373 -34.213 -10.020 1.00 0.00 C ATOM 408 C GLU A 95 12.795 -34.758 -9.936 1.00 0.00 C ATOM 409 O GLU A 95 13.017 -35.968 -9.978 1.00 0.00 O ATOM 410 CB GLU A 95 10.948 -34.103 -11.487 1.00 0.00 C ATOM 411 CG GLU A 95 9.480 -33.674 -11.566 1.00 0.00 C ATOM 412 CD GLU A 95 8.580 -34.779 -11.023 1.00 0.00 C ATOM 413 OE1 GLU A 95 9.047 -35.900 -10.920 1.00 0.00 O ATOM 414 OE2 GLU A 95 7.435 -34.487 -10.720 1.00 0.00 O ATOM 0 H GLU A 95 11.084 -32.134 -10.008 1.00 0.00 H new ATOM 0 HA GLU A 95 10.705 -34.900 -9.501 1.00 0.00 H new ATOM 0 HB2 GLU A 95 11.577 -33.379 -12.005 1.00 0.00 H new ATOM 0 HB3 GLU A 95 11.085 -35.061 -11.989 1.00 0.00 H new ATOM 0 HG2 GLU A 95 9.330 -32.758 -10.994 1.00 0.00 H new ATOM 0 HG3 GLU A 95 9.213 -33.452 -12.599 1.00 0.00 H new ATOM 421 N ALA A 96 13.756 -33.857 -9.816 1.00 0.00 N ATOM 422 CA ALA A 96 15.151 -34.256 -9.734 1.00 0.00 C ATOM 423 C ALA A 96 15.381 -35.132 -8.509 1.00 0.00 C ATOM 424 O ALA A 96 16.218 -36.035 -8.530 1.00 0.00 O ATOM 425 CB ALA A 96 16.046 -33.020 -9.655 1.00 0.00 C ATOM 0 H ALA A 96 13.597 -32.850 -9.773 1.00 0.00 H new ATOM 0 HA ALA A 96 15.401 -34.825 -10.629 1.00 0.00 H new ATOM 0 HB1 ALA A 96 17.089 -33.330 -9.594 1.00 0.00 H new ATOM 0 HB2 ALA A 96 15.901 -32.408 -10.545 1.00 0.00 H new ATOM 0 HB3 ALA A 96 15.787 -32.439 -8.769 1.00 0.00 H new ATOM 431 N ARG A 97 14.637 -34.864 -7.440 1.00 0.00 N ATOM 432 CA ARG A 97 14.783 -35.645 -6.218 1.00 0.00 C ATOM 433 C ARG A 97 14.334 -37.088 -6.449 1.00 0.00 C ATOM 434 O ARG A 97 14.789 -38.002 -5.760 1.00 0.00 O ATOM 435 CB ARG A 97 13.949 -35.004 -5.092 1.00 0.00 C ATOM 436 CG ARG A 97 14.771 -33.927 -4.369 1.00 0.00 C ATOM 437 CD ARG A 97 15.158 -32.821 -5.352 1.00 0.00 C ATOM 438 NE ARG A 97 15.936 -31.793 -4.671 1.00 0.00 N ATOM 439 CZ ARG A 97 17.243 -31.937 -4.470 1.00 0.00 C ATOM 440 NH1 ARG A 97 17.854 -33.012 -4.889 1.00 0.00 N ATOM 441 NH2 ARG A 97 17.913 -31.001 -3.859 1.00 0.00 N ATOM 0 H ARG A 97 13.937 -34.123 -7.395 1.00 0.00 H new ATOM 0 HA ARG A 97 15.833 -35.654 -5.927 1.00 0.00 H new ATOM 0 HB2 ARG A 97 13.043 -34.562 -5.507 1.00 0.00 H new ATOM 0 HB3 ARG A 97 13.634 -35.769 -4.382 1.00 0.00 H new ATOM 0 HG2 ARG A 97 14.193 -33.508 -3.545 1.00 0.00 H new ATOM 0 HG3 ARG A 97 15.667 -34.371 -3.936 1.00 0.00 H new ATOM 0 HD2 ARG A 97 15.737 -33.241 -6.174 1.00 0.00 H new ATOM 0 HD3 ARG A 97 14.261 -32.380 -5.787 1.00 0.00 H new ATOM 0 HE ARG A 97 15.469 -30.948 -4.343 1.00 0.00 H new ATOM 0 HH11 ARG A 97 17.329 -33.742 -5.371 1.00 0.00 H new ATOM 0 HH12 ARG A 97 18.856 -33.122 -4.735 1.00 0.00 H new ATOM 0 HH21 ARG A 97 17.435 -30.160 -3.536 1.00 0.00 H new ATOM 0 HH22 ARG A 97 18.915 -31.110 -3.704 1.00 0.00 H new ATOM 455 N GLU A 98 13.439 -37.289 -7.415 1.00 0.00 N ATOM 456 CA GLU A 98 12.943 -38.631 -7.711 1.00 0.00 C ATOM 457 C GLU A 98 13.809 -39.303 -8.767 1.00 0.00 C ATOM 458 O GLU A 98 13.765 -40.519 -8.951 1.00 0.00 O ATOM 459 CB GLU A 98 11.498 -38.545 -8.200 1.00 0.00 C ATOM 460 CG GLU A 98 10.619 -37.969 -7.088 1.00 0.00 C ATOM 461 CD GLU A 98 9.178 -37.853 -7.572 1.00 0.00 C ATOM 462 OE1 GLU A 98 8.944 -38.120 -8.737 1.00 0.00 O ATOM 463 OE2 GLU A 98 8.330 -37.499 -6.768 1.00 0.00 O ATOM 0 H GLU A 98 13.047 -36.550 -7.999 1.00 0.00 H new ATOM 0 HA GLU A 98 12.985 -39.229 -6.801 1.00 0.00 H new ATOM 0 HB2 GLU A 98 11.440 -37.915 -9.088 1.00 0.00 H new ATOM 0 HB3 GLU A 98 11.140 -39.534 -8.486 1.00 0.00 H new ATOM 0 HG2 GLU A 98 10.665 -38.610 -6.207 1.00 0.00 H new ATOM 0 HG3 GLU A 98 10.991 -36.989 -6.789 1.00 0.00 H new ATOM 470 N VAL A 99 14.605 -38.493 -9.443 1.00 0.00 N ATOM 471 CA VAL A 99 15.511 -38.992 -10.481 1.00 0.00 C ATOM 472 C VAL A 99 16.805 -39.518 -9.861 1.00 0.00 C ATOM 473 O VAL A 99 17.340 -38.929 -8.921 1.00 0.00 O ATOM 474 CB VAL A 99 15.827 -37.887 -11.499 1.00 0.00 C ATOM 475 CG1 VAL A 99 16.882 -38.394 -12.490 1.00 0.00 C ATOM 476 CG2 VAL A 99 14.551 -37.519 -12.269 1.00 0.00 C ATOM 0 H VAL A 99 14.648 -37.484 -9.297 1.00 0.00 H new ATOM 0 HA VAL A 99 15.013 -39.813 -10.998 1.00 0.00 H new ATOM 0 HB VAL A 99 16.205 -37.010 -10.974 1.00 0.00 H new ATOM 0 HG11 VAL A 99 17.108 -37.611 -13.214 1.00 0.00 H new ATOM 0 HG12 VAL A 99 17.790 -38.661 -11.950 1.00 0.00 H new ATOM 0 HG13 VAL A 99 16.499 -39.271 -13.012 1.00 0.00 H new ATOM 0 HG21 VAL A 99 14.776 -36.734 -12.992 1.00 0.00 H new ATOM 0 HG22 VAL A 99 14.176 -38.398 -12.793 1.00 0.00 H new ATOM 0 HG23 VAL A 99 13.794 -37.163 -11.570 1.00 0.00 H new ATOM 486 N ASN A 100 17.302 -40.631 -10.395 1.00 0.00 N ATOM 487 CA ASN A 100 18.533 -41.229 -9.887 1.00 0.00 C ATOM 488 C ASN A 100 19.661 -40.203 -9.896 1.00 0.00 C ATOM 489 O ASN A 100 19.650 -39.264 -10.691 1.00 0.00 O ATOM 490 CB ASN A 100 18.932 -42.427 -10.751 1.00 0.00 C ATOM 491 CG ASN A 100 17.796 -43.442 -10.791 1.00 0.00 C ATOM 492 OD1 ASN A 100 17.303 -43.782 -11.867 1.00 0.00 O ATOM 493 ND2 ASN A 100 17.345 -43.944 -9.675 1.00 0.00 N ATOM 0 H ASN A 100 16.875 -41.133 -11.173 1.00 0.00 H new ATOM 0 HA ASN A 100 18.358 -41.562 -8.864 1.00 0.00 H new ATOM 0 HB2 ASN A 100 19.169 -42.094 -11.762 1.00 0.00 H new ATOM 0 HB3 ASN A 100 19.832 -42.892 -10.349 1.00 0.00 H new ATOM 0 HD21 ASN A 100 16.582 -44.620 -9.692 1.00 0.00 H new ATOM 0 HD22 ASN A 100 17.756 -43.660 -8.785 1.00 0.00 H new ATOM 500 N SER A 101 20.624 -40.375 -8.997 1.00 0.00 N ATOM 501 CA SER A 101 21.738 -39.441 -8.907 1.00 0.00 C ATOM 502 C SER A 101 22.509 -39.393 -10.220 1.00 0.00 C ATOM 503 O SER A 101 22.877 -38.317 -10.693 1.00 0.00 O ATOM 504 CB SER A 101 22.682 -39.873 -7.782 1.00 0.00 C ATOM 505 OG SER A 101 22.004 -39.783 -6.537 1.00 0.00 O ATOM 0 H SER A 101 20.656 -41.144 -8.328 1.00 0.00 H new ATOM 0 HA SER A 101 21.340 -38.448 -8.697 1.00 0.00 H new ATOM 0 HB2 SER A 101 23.023 -40.895 -7.950 1.00 0.00 H new ATOM 0 HB3 SER A 101 23.569 -39.239 -7.773 1.00 0.00 H new ATOM 0 HG SER A 101 22.606 -40.061 -5.816 1.00 0.00 H new ATOM 511 N GLN A 102 22.747 -40.559 -10.815 1.00 0.00 N ATOM 512 CA GLN A 102 23.473 -40.616 -12.078 1.00 0.00 C ATOM 513 C GLN A 102 22.672 -39.942 -13.190 1.00 0.00 C ATOM 514 O GLN A 102 23.221 -39.196 -14.001 1.00 0.00 O ATOM 515 CB GLN A 102 23.740 -42.075 -12.451 1.00 0.00 C ATOM 516 CG GLN A 102 24.601 -42.134 -13.713 1.00 0.00 C ATOM 517 CD GLN A 102 24.938 -43.584 -14.044 1.00 0.00 C ATOM 518 OE1 GLN A 102 24.770 -44.470 -13.204 1.00 0.00 O ATOM 519 NE2 GLN A 102 25.401 -43.882 -15.227 1.00 0.00 N ATOM 0 H GLN A 102 22.452 -41.464 -10.449 1.00 0.00 H new ATOM 0 HA GLN A 102 24.419 -40.088 -11.960 1.00 0.00 H new ATOM 0 HB2 GLN A 102 24.245 -42.584 -11.630 1.00 0.00 H new ATOM 0 HB3 GLN A 102 22.797 -42.596 -12.617 1.00 0.00 H new ATOM 0 HG2 GLN A 102 24.071 -41.675 -14.547 1.00 0.00 H new ATOM 0 HG3 GLN A 102 25.518 -41.563 -13.565 1.00 0.00 H new ATOM 0 HE21 GLN A 102 25.539 -43.147 -15.921 1.00 0.00 H new ATOM 0 HE22 GLN A 102 25.625 -44.850 -15.458 1.00 0.00 H new ATOM 528 N GLU A 103 21.366 -40.198 -13.211 1.00 0.00 N ATOM 529 CA GLU A 103 20.494 -39.602 -14.218 1.00 0.00 C ATOM 530 C GLU A 103 20.353 -38.102 -13.988 1.00 0.00 C ATOM 531 O GLU A 103 20.312 -37.319 -14.937 1.00 0.00 O ATOM 532 CB GLU A 103 19.116 -40.264 -14.179 1.00 0.00 C ATOM 533 CG GLU A 103 19.223 -41.698 -14.702 1.00 0.00 C ATOM 534 CD GLU A 103 17.901 -42.428 -14.499 1.00 0.00 C ATOM 535 OE1 GLU A 103 17.054 -41.897 -13.800 1.00 0.00 O ATOM 536 OE2 GLU A 103 17.754 -43.510 -15.045 1.00 0.00 O ATOM 0 H GLU A 103 20.892 -40.810 -12.547 1.00 0.00 H new ATOM 0 HA GLU A 103 20.942 -39.764 -15.198 1.00 0.00 H new ATOM 0 HB2 GLU A 103 18.730 -40.265 -13.160 1.00 0.00 H new ATOM 0 HB3 GLU A 103 18.411 -39.696 -14.786 1.00 0.00 H new ATOM 0 HG2 GLU A 103 19.484 -41.689 -15.760 1.00 0.00 H new ATOM 0 HG3 GLU A 103 20.022 -42.225 -14.181 1.00 0.00 H new ATOM 543 N GLU A 104 20.269 -37.712 -12.721 1.00 0.00 N ATOM 544 CA GLU A 104 20.121 -36.305 -12.372 1.00 0.00 C ATOM 545 C GLU A 104 21.338 -35.512 -12.833 1.00 0.00 C ATOM 546 O GLU A 104 21.207 -34.409 -13.359 1.00 0.00 O ATOM 547 CB GLU A 104 19.950 -36.155 -10.858 1.00 0.00 C ATOM 548 CG GLU A 104 19.735 -34.680 -10.508 1.00 0.00 C ATOM 549 CD GLU A 104 19.441 -34.534 -9.018 1.00 0.00 C ATOM 550 OE1 GLU A 104 19.408 -35.548 -8.339 1.00 0.00 O ATOM 551 OE2 GLU A 104 19.251 -33.411 -8.579 1.00 0.00 O ATOM 0 H GLU A 104 20.301 -38.347 -11.923 1.00 0.00 H new ATOM 0 HA GLU A 104 19.236 -35.915 -12.874 1.00 0.00 H new ATOM 0 HB2 GLU A 104 19.101 -36.747 -10.518 1.00 0.00 H new ATOM 0 HB3 GLU A 104 20.832 -36.536 -10.343 1.00 0.00 H new ATOM 0 HG2 GLU A 104 20.622 -34.103 -10.770 1.00 0.00 H new ATOM 0 HG3 GLU A 104 18.908 -34.276 -11.091 1.00 0.00 H new ATOM 558 N GLU A 105 22.523 -36.080 -12.635 1.00 0.00 N ATOM 559 CA GLU A 105 23.747 -35.401 -13.042 1.00 0.00 C ATOM 560 C GLU A 105 23.755 -35.197 -14.555 1.00 0.00 C ATOM 561 O GLU A 105 24.112 -34.124 -15.041 1.00 0.00 O ATOM 562 CB GLU A 105 24.966 -36.232 -12.619 1.00 0.00 C ATOM 563 CG GLU A 105 26.263 -35.507 -13.003 1.00 0.00 C ATOM 564 CD GLU A 105 26.366 -34.185 -12.247 1.00 0.00 C ATOM 565 OE1 GLU A 105 25.704 -34.053 -11.231 1.00 0.00 O ATOM 566 OE2 GLU A 105 27.106 -33.326 -12.696 1.00 0.00 O ATOM 0 H GLU A 105 22.661 -36.993 -12.203 1.00 0.00 H new ATOM 0 HA GLU A 105 23.792 -34.427 -12.556 1.00 0.00 H new ATOM 0 HB2 GLU A 105 24.942 -36.404 -11.543 1.00 0.00 H new ATOM 0 HB3 GLU A 105 24.932 -37.210 -13.099 1.00 0.00 H new ATOM 0 HG2 GLU A 105 27.123 -36.136 -12.772 1.00 0.00 H new ATOM 0 HG3 GLU A 105 26.282 -35.323 -14.077 1.00 0.00 H new ATOM 573 N GLU A 106 23.363 -36.230 -15.293 1.00 0.00 N ATOM 574 CA GLU A 106 23.336 -36.141 -16.749 1.00 0.00 C ATOM 575 C GLU A 106 22.345 -35.072 -17.202 1.00 0.00 C ATOM 576 O GLU A 106 22.644 -34.264 -18.082 1.00 0.00 O ATOM 577 CB GLU A 106 22.939 -37.499 -17.340 1.00 0.00 C ATOM 578 CG GLU A 106 22.968 -37.425 -18.870 1.00 0.00 C ATOM 579 CD GLU A 106 22.646 -38.791 -19.464 1.00 0.00 C ATOM 580 OE1 GLU A 106 22.408 -39.708 -18.696 1.00 0.00 O ATOM 581 OE2 GLU A 106 22.641 -38.902 -20.679 1.00 0.00 O ATOM 0 H GLU A 106 23.063 -37.128 -14.914 1.00 0.00 H new ATOM 0 HA GLU A 106 24.330 -35.866 -17.102 1.00 0.00 H new ATOM 0 HB2 GLU A 106 23.623 -38.272 -16.991 1.00 0.00 H new ATOM 0 HB3 GLU A 106 21.942 -37.778 -16.999 1.00 0.00 H new ATOM 0 HG2 GLU A 106 22.246 -36.688 -19.220 1.00 0.00 H new ATOM 0 HG3 GLU A 106 23.950 -37.095 -19.208 1.00 0.00 H new ATOM 588 N GLU A 107 21.168 -35.070 -16.587 1.00 0.00 N ATOM 589 CA GLU A 107 20.140 -34.095 -16.926 1.00 0.00 C ATOM 590 C GLU A 107 20.595 -32.687 -16.564 1.00 0.00 C ATOM 591 O GLU A 107 20.312 -31.729 -17.281 1.00 0.00 O ATOM 592 CB GLU A 107 18.836 -34.421 -16.196 1.00 0.00 C ATOM 593 CG GLU A 107 18.226 -35.693 -16.787 1.00 0.00 C ATOM 594 CD GLU A 107 16.990 -36.098 -15.989 1.00 0.00 C ATOM 595 OE1 GLU A 107 16.775 -35.523 -14.935 1.00 0.00 O ATOM 596 OE2 GLU A 107 16.276 -36.975 -16.447 1.00 0.00 O ATOM 0 H GLU A 107 20.903 -35.729 -15.855 1.00 0.00 H new ATOM 0 HA GLU A 107 19.968 -34.143 -18.001 1.00 0.00 H new ATOM 0 HB2 GLU A 107 19.027 -34.557 -15.131 1.00 0.00 H new ATOM 0 HB3 GLU A 107 18.136 -33.591 -16.291 1.00 0.00 H new ATOM 0 HG2 GLU A 107 17.957 -35.527 -17.830 1.00 0.00 H new ATOM 0 HG3 GLU A 107 18.959 -36.499 -16.771 1.00 0.00 H new ATOM 603 N GLU A 108 21.293 -32.568 -15.439 1.00 0.00 N ATOM 604 CA GLU A 108 21.768 -31.268 -14.986 1.00 0.00 C ATOM 605 C GLU A 108 22.731 -30.670 -16.005 1.00 0.00 C ATOM 606 O GLU A 108 22.672 -29.476 -16.297 1.00 0.00 O ATOM 607 CB GLU A 108 22.480 -31.421 -13.635 1.00 0.00 C ATOM 608 CG GLU A 108 22.817 -30.041 -13.062 1.00 0.00 C ATOM 609 CD GLU A 108 21.536 -29.280 -12.734 1.00 0.00 C ATOM 610 OE1 GLU A 108 21.042 -28.587 -13.607 1.00 0.00 O ATOM 611 OE2 GLU A 108 21.071 -29.401 -11.613 1.00 0.00 O ATOM 0 H GLU A 108 21.540 -33.348 -14.830 1.00 0.00 H new ATOM 0 HA GLU A 108 20.913 -30.601 -14.876 1.00 0.00 H new ATOM 0 HB2 GLU A 108 21.844 -31.968 -12.939 1.00 0.00 H new ATOM 0 HB3 GLU A 108 23.392 -32.005 -13.759 1.00 0.00 H new ATOM 0 HG2 GLU A 108 23.424 -30.151 -12.163 1.00 0.00 H new ATOM 0 HG3 GLU A 108 23.411 -29.476 -13.781 1.00 0.00 H new ATOM 618 N LEU A 109 23.611 -31.505 -16.544 1.00 0.00 N ATOM 619 CA LEU A 109 24.576 -31.039 -17.533 1.00 0.00 C ATOM 620 C LEU A 109 23.866 -30.535 -18.784 1.00 0.00 C ATOM 621 O LEU A 109 24.245 -29.513 -19.356 1.00 0.00 O ATOM 622 CB LEU A 109 25.526 -32.182 -17.903 1.00 0.00 C ATOM 623 CG LEU A 109 26.458 -32.488 -16.721 1.00 0.00 C ATOM 624 CD1 LEU A 109 27.210 -33.794 -16.998 1.00 0.00 C ATOM 625 CD2 LEU A 109 27.472 -31.339 -16.518 1.00 0.00 C ATOM 0 H LEU A 109 23.677 -32.497 -16.317 1.00 0.00 H new ATOM 0 HA LEU A 109 25.145 -30.215 -17.102 1.00 0.00 H new ATOM 0 HB2 LEU A 109 24.954 -33.072 -18.166 1.00 0.00 H new ATOM 0 HB3 LEU A 109 26.113 -31.909 -18.780 1.00 0.00 H new ATOM 0 HG LEU A 109 25.861 -32.588 -15.815 1.00 0.00 H new ATOM 0 HD11 LEU A 109 27.873 -34.016 -16.162 1.00 0.00 H new ATOM 0 HD12 LEU A 109 26.494 -34.607 -17.120 1.00 0.00 H new ATOM 0 HD13 LEU A 109 27.798 -33.689 -17.910 1.00 0.00 H new ATOM 0 HD21 LEU A 109 28.124 -31.573 -15.676 1.00 0.00 H new ATOM 0 HD22 LEU A 109 28.072 -31.220 -17.420 1.00 0.00 H new ATOM 0 HD23 LEU A 109 26.936 -30.412 -16.314 1.00 0.00 H new ATOM 637 N LEU A 110 22.829 -31.250 -19.201 1.00 0.00 N ATOM 638 CA LEU A 110 22.076 -30.849 -20.384 1.00 0.00 C ATOM 639 C LEU A 110 21.302 -29.557 -20.116 1.00 0.00 C ATOM 640 O LEU A 110 21.234 -28.675 -20.975 1.00 0.00 O ATOM 641 CB LEU A 110 21.104 -31.978 -20.793 1.00 0.00 C ATOM 642 CG LEU A 110 21.756 -32.901 -21.833 1.00 0.00 C ATOM 643 CD1 LEU A 110 22.934 -33.644 -21.199 1.00 0.00 C ATOM 644 CD2 LEU A 110 20.719 -33.910 -22.329 1.00 0.00 C ATOM 0 H LEU A 110 22.493 -32.099 -18.746 1.00 0.00 H new ATOM 0 HA LEU A 110 22.776 -30.667 -21.200 1.00 0.00 H new ATOM 0 HB2 LEU A 110 20.818 -32.556 -19.914 1.00 0.00 H new ATOM 0 HB3 LEU A 110 20.190 -31.548 -21.202 1.00 0.00 H new ATOM 0 HG LEU A 110 22.119 -32.306 -22.671 1.00 0.00 H new ATOM 0 HD11 LEU A 110 23.393 -34.298 -21.940 1.00 0.00 H new ATOM 0 HD12 LEU A 110 23.671 -32.923 -20.845 1.00 0.00 H new ATOM 0 HD13 LEU A 110 22.578 -34.241 -20.360 1.00 0.00 H new ATOM 0 HD21 LEU A 110 21.176 -34.568 -23.068 1.00 0.00 H new ATOM 0 HD22 LEU A 110 20.358 -34.503 -21.489 1.00 0.00 H new ATOM 0 HD23 LEU A 110 19.883 -33.379 -22.784 1.00 0.00 H new ATOM 656 N ARG A 111 20.715 -29.450 -18.932 1.00 0.00 N ATOM 657 CA ARG A 111 19.947 -28.259 -18.588 1.00 0.00 C ATOM 658 C ARG A 111 20.845 -27.027 -18.611 1.00 0.00 C ATOM 659 O ARG A 111 20.449 -25.964 -19.090 1.00 0.00 O ATOM 660 CB ARG A 111 19.334 -28.423 -17.195 1.00 0.00 C ATOM 661 CG ARG A 111 18.485 -27.194 -16.849 1.00 0.00 C ATOM 662 CD ARG A 111 17.889 -27.371 -15.453 1.00 0.00 C ATOM 663 NE ARG A 111 16.900 -28.445 -15.465 1.00 0.00 N ATOM 664 CZ ARG A 111 17.203 -29.685 -15.081 1.00 0.00 C ATOM 665 NH1 ARG A 111 18.422 -29.993 -14.724 1.00 0.00 N ATOM 666 NH2 ARG A 111 16.276 -30.606 -15.082 1.00 0.00 N ATOM 0 H ARG A 111 20.754 -30.162 -18.202 1.00 0.00 H new ATOM 0 HA ARG A 111 19.151 -28.130 -19.321 1.00 0.00 H new ATOM 0 HB2 ARG A 111 18.718 -29.322 -17.163 1.00 0.00 H new ATOM 0 HB3 ARG A 111 20.123 -28.551 -16.454 1.00 0.00 H new ATOM 0 HG2 ARG A 111 19.097 -26.293 -16.884 1.00 0.00 H new ATOM 0 HG3 ARG A 111 17.690 -27.068 -17.584 1.00 0.00 H new ATOM 0 HD2 ARG A 111 18.679 -27.601 -14.738 1.00 0.00 H new ATOM 0 HD3 ARG A 111 17.424 -26.441 -15.126 1.00 0.00 H new ATOM 0 HE ARG A 111 15.950 -28.241 -15.776 1.00 0.00 H new ATOM 0 HH11 ARG A 111 19.153 -29.281 -14.737 1.00 0.00 H new ATOM 0 HH12 ARG A 111 18.643 -30.945 -14.432 1.00 0.00 H new ATOM 0 HH21 ARG A 111 15.327 -30.374 -15.376 1.00 0.00 H new ATOM 0 HH22 ARG A 111 16.501 -31.557 -14.789 1.00 0.00 H new ATOM 680 N LYS A 112 22.054 -27.178 -18.088 1.00 0.00 N ATOM 681 CA LYS A 112 23.001 -26.073 -18.052 1.00 0.00 C ATOM 682 C LYS A 112 23.363 -25.638 -19.469 1.00 0.00 C ATOM 683 O LYS A 112 23.514 -24.449 -19.743 1.00 0.00 O ATOM 684 CB LYS A 112 24.265 -26.485 -17.300 1.00 0.00 C ATOM 685 CG LYS A 112 25.177 -25.266 -17.135 1.00 0.00 C ATOM 686 CD LYS A 112 26.379 -25.619 -16.250 1.00 0.00 C ATOM 687 CE LYS A 112 27.371 -26.493 -17.026 1.00 0.00 C ATOM 688 NZ LYS A 112 28.628 -26.635 -16.237 1.00 0.00 N ATOM 0 H LYS A 112 22.400 -28.049 -17.685 1.00 0.00 H new ATOM 0 HA LYS A 112 22.535 -25.236 -17.533 1.00 0.00 H new ATOM 0 HB2 LYS A 112 24.004 -26.893 -16.323 1.00 0.00 H new ATOM 0 HB3 LYS A 112 24.786 -27.272 -17.845 1.00 0.00 H new ATOM 0 HG2 LYS A 112 25.522 -24.926 -18.111 1.00 0.00 H new ATOM 0 HG3 LYS A 112 24.618 -24.442 -16.690 1.00 0.00 H new ATOM 0 HD2 LYS A 112 26.872 -24.707 -15.914 1.00 0.00 H new ATOM 0 HD3 LYS A 112 26.040 -26.145 -15.358 1.00 0.00 H new ATOM 0 HE2 LYS A 112 26.936 -27.474 -17.217 1.00 0.00 H new ATOM 0 HE3 LYS A 112 27.586 -26.045 -17.996 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 29.302 -27.228 -16.762 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 29.045 -25.696 -16.076 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 28.415 -27.081 -15.322 1.00 0.00 H new ATOM 702 N ALA A 113 23.512 -26.611 -20.361 1.00 0.00 N ATOM 703 CA ALA A 113 23.874 -26.316 -21.742 1.00 0.00 C ATOM 704 C ALA A 113 22.826 -25.417 -22.390 1.00 0.00 C ATOM 705 O ALA A 113 23.163 -24.488 -23.123 1.00 0.00 O ATOM 706 CB ALA A 113 23.983 -27.622 -22.536 1.00 0.00 C ATOM 0 H ALA A 113 23.389 -27.602 -20.155 1.00 0.00 H new ATOM 0 HA ALA A 113 24.834 -25.799 -21.747 1.00 0.00 H new ATOM 0 HB1 ALA A 113 24.254 -27.399 -23.568 1.00 0.00 H new ATOM 0 HB2 ALA A 113 24.748 -28.257 -22.089 1.00 0.00 H new ATOM 0 HB3 ALA A 113 23.025 -28.141 -22.516 1.00 0.00 H new ATOM 712 N ILE A 114 21.557 -25.691 -22.113 1.00 0.00 N ATOM 713 CA ILE A 114 20.479 -24.889 -22.678 1.00 0.00 C ATOM 714 C ILE A 114 20.545 -23.461 -22.144 1.00 0.00 C ATOM 715 O ILE A 114 20.414 -22.497 -22.899 1.00 0.00 O ATOM 716 CB ILE A 114 19.123 -25.514 -22.326 1.00 0.00 C ATOM 717 CG1 ILE A 114 19.038 -26.938 -22.907 1.00 0.00 C ATOM 718 CG2 ILE A 114 17.985 -24.652 -22.887 1.00 0.00 C ATOM 719 CD1 ILE A 114 19.230 -26.935 -24.433 1.00 0.00 C ATOM 0 H ILE A 114 21.251 -26.453 -21.508 1.00 0.00 H new ATOM 0 HA ILE A 114 20.592 -24.864 -23.762 1.00 0.00 H new ATOM 0 HB ILE A 114 19.026 -25.564 -21.241 1.00 0.00 H new ATOM 0 HG12 ILE A 114 19.799 -27.567 -22.445 1.00 0.00 H new ATOM 0 HG13 ILE A 114 18.070 -27.375 -22.662 1.00 0.00 H new ATOM 0 HG21 ILE A 114 17.026 -25.104 -22.632 1.00 0.00 H new ATOM 0 HG22 ILE A 114 18.040 -23.652 -22.457 1.00 0.00 H new ATOM 0 HG23 ILE A 114 18.078 -24.587 -23.971 1.00 0.00 H new ATOM 0 HD11 ILE A 114 19.164 -27.956 -24.810 1.00 0.00 H new ATOM 0 HD12 ILE A 114 18.454 -26.326 -24.896 1.00 0.00 H new ATOM 0 HD13 ILE A 114 20.209 -26.521 -24.676 1.00 0.00 H new ATOM 731 N ALA A 115 20.749 -23.332 -20.837 1.00 0.00 N ATOM 732 CA ALA A 115 20.835 -22.014 -20.221 1.00 0.00 C ATOM 733 C ALA A 115 22.022 -21.233 -20.780 1.00 0.00 C ATOM 734 O ALA A 115 21.920 -20.039 -21.057 1.00 0.00 O ATOM 735 CB ALA A 115 20.982 -22.161 -18.706 1.00 0.00 C ATOM 0 H ALA A 115 20.857 -24.114 -20.191 1.00 0.00 H new ATOM 0 HA ALA A 115 19.921 -21.465 -20.448 1.00 0.00 H new ATOM 0 HB1 ALA A 115 21.046 -21.173 -18.249 1.00 0.00 H new ATOM 0 HB2 ALA A 115 20.117 -22.690 -18.306 1.00 0.00 H new ATOM 0 HB3 ALA A 115 21.888 -22.724 -18.481 1.00 0.00 H new ATOM 741 N GLU A 116 23.148 -21.920 -20.952 1.00 0.00 N ATOM 742 CA GLU A 116 24.349 -21.284 -21.486 1.00 0.00 C ATOM 743 C GLU A 116 24.128 -20.819 -22.922 1.00 0.00 C ATOM 744 O GLU A 116 24.578 -19.742 -23.310 1.00 0.00 O ATOM 745 CB GLU A 116 25.524 -22.263 -21.435 1.00 0.00 C ATOM 746 CG GLU A 116 25.939 -22.494 -19.981 1.00 0.00 C ATOM 747 CD GLU A 116 26.607 -21.240 -19.427 1.00 0.00 C ATOM 748 OE1 GLU A 116 26.975 -20.389 -20.221 1.00 0.00 O ATOM 749 OE2 GLU A 116 26.743 -21.150 -18.218 1.00 0.00 O ATOM 0 H GLU A 116 23.254 -22.910 -20.731 1.00 0.00 H new ATOM 0 HA GLU A 116 24.575 -20.412 -20.872 1.00 0.00 H new ATOM 0 HB2 GLU A 116 25.242 -23.209 -21.898 1.00 0.00 H new ATOM 0 HB3 GLU A 116 26.365 -21.867 -22.005 1.00 0.00 H new ATOM 0 HG2 GLU A 116 25.066 -22.747 -19.380 1.00 0.00 H new ATOM 0 HG3 GLU A 116 26.624 -23.339 -19.919 1.00 0.00 H new ATOM 756 N SER A 117 23.443 -21.641 -23.707 1.00 0.00 N ATOM 757 CA SER A 117 23.181 -21.303 -25.100 1.00 0.00 C ATOM 758 C SER A 117 22.295 -20.067 -25.204 1.00 0.00 C ATOM 759 O SER A 117 22.496 -19.219 -26.073 1.00 0.00 O ATOM 760 CB SER A 117 22.495 -22.482 -25.788 1.00 0.00 C ATOM 761 OG SER A 117 21.245 -22.728 -25.160 1.00 0.00 O ATOM 0 H SER A 117 23.062 -22.538 -23.407 1.00 0.00 H new ATOM 0 HA SER A 117 24.131 -21.088 -25.589 1.00 0.00 H new ATOM 0 HB2 SER A 117 22.347 -22.265 -26.846 1.00 0.00 H new ATOM 0 HB3 SER A 117 23.125 -23.369 -25.730 1.00 0.00 H new ATOM 0 HG SER A 117 21.317 -22.536 -24.202 1.00 0.00 H new ATOM 767 N LEU A 118 21.313 -19.969 -24.314 1.00 0.00 N ATOM 768 CA LEU A 118 20.403 -18.829 -24.316 1.00 0.00 C ATOM 769 C LEU A 118 21.115 -17.564 -23.848 1.00 0.00 C ATOM 770 O LEU A 118 20.848 -16.469 -24.344 1.00 0.00 O ATOM 771 CB LEU A 118 19.216 -19.127 -23.400 1.00 0.00 C ATOM 772 CG LEU A 118 18.359 -20.248 -24.008 1.00 0.00 C ATOM 773 CD1 LEU A 118 17.341 -20.723 -22.966 1.00 0.00 C ATOM 774 CD2 LEU A 118 17.615 -19.746 -25.264 1.00 0.00 C ATOM 0 H LEU A 118 21.127 -20.660 -23.587 1.00 0.00 H new ATOM 0 HA LEU A 118 20.050 -18.664 -25.334 1.00 0.00 H new ATOM 0 HB2 LEU A 118 19.572 -19.423 -22.413 1.00 0.00 H new ATOM 0 HB3 LEU A 118 18.614 -18.228 -23.266 1.00 0.00 H new ATOM 0 HG LEU A 118 19.010 -21.072 -24.298 1.00 0.00 H new ATOM 0 HD11 LEU A 118 16.729 -21.519 -23.391 1.00 0.00 H new ATOM 0 HD12 LEU A 118 17.867 -21.099 -22.089 1.00 0.00 H new ATOM 0 HD13 LEU A 118 16.701 -19.889 -22.676 1.00 0.00 H new ATOM 0 HD21 LEU A 118 17.014 -20.555 -25.679 1.00 0.00 H new ATOM 0 HD22 LEU A 118 16.965 -18.914 -24.994 1.00 0.00 H new ATOM 0 HD23 LEU A 118 18.339 -19.414 -26.008 1.00 0.00 H new ATOM 786 N ASN A 119 22.027 -17.722 -22.893 1.00 0.00 N ATOM 787 CA ASN A 119 22.774 -16.584 -22.368 1.00 0.00 C ATOM 788 C ASN A 119 23.920 -16.213 -23.304 1.00 0.00 C ATOM 789 O ASN A 119 24.355 -15.062 -23.343 1.00 0.00 O ATOM 790 CB ASN A 119 23.331 -16.925 -20.984 1.00 0.00 C ATOM 791 CG ASN A 119 24.031 -15.705 -20.397 1.00 0.00 C ATOM 792 OD1 ASN A 119 25.109 -15.327 -20.856 1.00 0.00 O ATOM 793 ND2 ASN A 119 23.481 -15.064 -19.404 1.00 0.00 N ATOM 0 H ASN A 119 22.265 -18.619 -22.470 1.00 0.00 H new ATOM 0 HA ASN A 119 22.098 -15.733 -22.291 1.00 0.00 H new ATOM 0 HB2 ASN A 119 22.524 -17.245 -20.325 1.00 0.00 H new ATOM 0 HB3 ASN A 119 24.031 -17.757 -21.058 1.00 0.00 H new ATOM 0 HD21 ASN A 119 23.944 -14.247 -19.005 1.00 0.00 H new ATOM 0 HD22 ASN A 119 22.588 -15.379 -19.026 1.00 0.00 H new ATOM 800 N SER A 120 24.405 -17.200 -24.056 1.00 0.00 N ATOM 801 CA SER A 120 25.506 -16.984 -24.995 1.00 0.00 C ATOM 802 C SER A 120 24.970 -16.865 -26.416 1.00 0.00 C ATOM 803 O SER A 120 25.739 -16.819 -27.376 1.00 0.00 O ATOM 804 CB SER A 120 26.495 -18.146 -24.923 1.00 0.00 C ATOM 805 OG SER A 120 27.036 -18.222 -23.610 1.00 0.00 O ATOM 0 H SER A 120 24.053 -18.157 -24.034 1.00 0.00 H new ATOM 0 HA SER A 120 26.015 -16.059 -24.723 1.00 0.00 H new ATOM 0 HB2 SER A 120 25.995 -19.081 -25.177 1.00 0.00 H new ATOM 0 HB3 SER A 120 27.294 -18.004 -25.650 1.00 0.00 H new ATOM 0 HG SER A 120 26.433 -18.741 -23.037 1.00 0.00 H new ATOM 811 N CYS A 121 23.646 -16.826 -26.544 1.00 0.00 N ATOM 812 CA CYS A 121 23.026 -16.721 -27.859 1.00 0.00 C ATOM 813 C CYS A 121 23.688 -15.608 -28.652 1.00 0.00 C ATOM 814 O CYS A 121 24.371 -14.757 -28.082 1.00 0.00 O ATOM 815 CB CYS A 121 21.532 -16.422 -27.718 1.00 0.00 C ATOM 816 SG CYS A 121 21.310 -14.761 -27.029 1.00 0.00 S ATOM 0 H CYS A 121 22.990 -16.865 -25.764 1.00 0.00 H new ATOM 0 HA CYS A 121 23.153 -17.669 -28.382 1.00 0.00 H new ATOM 0 HB2 CYS A 121 21.043 -16.492 -28.690 1.00 0.00 H new ATOM 0 HB3 CYS A 121 21.062 -17.162 -27.070 1.00 0.00 H new ATOM 0 HG CYS A 121 21.033 -14.850 -25.762 1.00 0.00 H new ATOM 822 N ARG A 122 23.495 -15.615 -29.969 1.00 0.00 N ATOM 823 CA ARG A 122 24.096 -14.591 -30.820 1.00 0.00 C ATOM 824 C ARG A 122 23.092 -14.123 -31.889 1.00 0.00 C ATOM 825 O ARG A 122 22.495 -14.952 -32.579 1.00 0.00 O ATOM 826 CB ARG A 122 25.343 -15.146 -31.505 1.00 0.00 C ATOM 827 CG ARG A 122 26.105 -14.000 -32.174 1.00 0.00 C ATOM 828 CD ARG A 122 27.318 -14.556 -32.921 1.00 0.00 C ATOM 829 NE ARG A 122 28.085 -13.473 -33.526 1.00 0.00 N ATOM 830 CZ ARG A 122 29.154 -13.725 -34.277 1.00 0.00 C ATOM 831 NH1 ARG A 122 29.527 -14.958 -34.486 1.00 0.00 N ATOM 832 NH2 ARG A 122 29.828 -12.741 -34.804 1.00 0.00 N ATOM 0 H ARG A 122 22.935 -16.308 -30.465 1.00 0.00 H new ATOM 0 HA ARG A 122 24.372 -13.742 -30.194 1.00 0.00 H new ATOM 0 HB2 ARG A 122 25.981 -15.645 -30.776 1.00 0.00 H new ATOM 0 HB3 ARG A 122 25.062 -15.893 -32.247 1.00 0.00 H new ATOM 0 HG2 ARG A 122 25.451 -13.470 -32.866 1.00 0.00 H new ATOM 0 HG3 ARG A 122 26.427 -13.278 -31.424 1.00 0.00 H new ATOM 0 HD2 ARG A 122 27.950 -15.117 -32.233 1.00 0.00 H new ATOM 0 HD3 ARG A 122 26.990 -15.252 -33.693 1.00 0.00 H new ATOM 0 HE ARG A 122 27.797 -12.507 -33.371 1.00 0.00 H new ATOM 0 HH11 ARG A 122 28.999 -15.727 -34.074 1.00 0.00 H new ATOM 0 HH12 ARG A 122 30.346 -15.152 -35.062 1.00 0.00 H new ATOM 0 HH21 ARG A 122 29.536 -11.778 -34.641 1.00 0.00 H new ATOM 0 HH22 ARG A 122 30.647 -12.935 -35.380 1.00 0.00 H new ATOM 846 N PRO A 123 22.882 -12.827 -32.046 1.00 0.00 N ATOM 847 CA PRO A 123 21.919 -12.297 -33.062 1.00 0.00 C ATOM 848 C PRO A 123 22.394 -12.539 -34.497 1.00 0.00 C ATOM 849 O PRO A 123 23.593 -12.545 -34.774 1.00 0.00 O ATOM 850 CB PRO A 123 21.824 -10.793 -32.734 1.00 0.00 C ATOM 851 CG PRO A 123 23.092 -10.462 -32.012 1.00 0.00 C ATOM 852 CD PRO A 123 23.527 -11.735 -31.285 1.00 0.00 C ATOM 0 HA PRO A 123 20.953 -12.799 -33.012 1.00 0.00 H new ATOM 0 HB2 PRO A 123 21.723 -10.199 -33.642 1.00 0.00 H new ATOM 0 HB3 PRO A 123 20.953 -10.580 -32.115 1.00 0.00 H new ATOM 0 HG2 PRO A 123 23.861 -10.133 -32.711 1.00 0.00 H new ATOM 0 HG3 PRO A 123 22.934 -9.647 -31.305 1.00 0.00 H new ATOM 0 HD2 PRO A 123 24.612 -11.840 -31.280 1.00 0.00 H new ATOM 0 HD3 PRO A 123 23.203 -11.730 -30.244 1.00 0.00 H new ATOM 860 N SER A 124 21.438 -12.734 -35.403 1.00 0.00 N ATOM 861 CA SER A 124 21.762 -12.977 -36.803 1.00 0.00 C ATOM 862 C SER A 124 22.440 -11.758 -37.411 1.00 0.00 C ATOM 863 O SER A 124 22.105 -10.619 -37.079 1.00 0.00 O ATOM 864 CB SER A 124 20.488 -13.295 -37.587 1.00 0.00 C ATOM 865 OG SER A 124 20.814 -13.480 -38.958 1.00 0.00 O ATOM 0 H SER A 124 20.440 -12.728 -35.193 1.00 0.00 H new ATOM 0 HA SER A 124 22.443 -13.826 -36.857 1.00 0.00 H new ATOM 0 HB2 SER A 124 20.017 -14.194 -37.189 1.00 0.00 H new ATOM 0 HB3 SER A 124 19.768 -12.483 -37.479 1.00 0.00 H new ATOM 0 HG SER A 124 20.000 -13.686 -39.463 1.00 0.00 H new ATOM 871 N ASP A 125 23.393 -12.001 -38.303 1.00 0.00 N ATOM 872 CA ASP A 125 24.110 -10.912 -38.957 1.00 0.00 C ATOM 873 C ASP A 125 23.212 -10.204 -39.966 1.00 0.00 C ATOM 874 O ASP A 125 22.373 -10.832 -40.612 1.00 0.00 O ATOM 875 CB ASP A 125 25.349 -11.462 -39.666 1.00 0.00 C ATOM 876 CG ASP A 125 26.393 -11.882 -38.637 1.00 0.00 C ATOM 877 OD1 ASP A 125 26.248 -11.507 -37.486 1.00 0.00 O ATOM 878 OD2 ASP A 125 27.324 -12.574 -39.017 1.00 0.00 O ATOM 0 H ASP A 125 23.686 -12.935 -38.589 1.00 0.00 H new ATOM 0 HA ASP A 125 24.414 -10.192 -38.197 1.00 0.00 H new ATOM 0 HB2 ASP A 125 25.075 -12.315 -40.287 1.00 0.00 H new ATOM 0 HB3 ASP A 125 25.765 -10.704 -40.330 1.00 0.00 H new ATOM 883 N ALA A 126 23.394 -8.894 -40.098 1.00 0.00 N ATOM 884 CA ALA A 126 22.595 -8.116 -41.037 1.00 0.00 C ATOM 885 C ALA A 126 22.836 -8.590 -42.467 1.00 0.00 C ATOM 886 O ALA A 126 21.925 -8.589 -43.295 1.00 0.00 O ATOM 887 CB ALA A 126 22.950 -6.634 -40.921 1.00 0.00 C ATOM 0 H ALA A 126 24.081 -8.353 -39.572 1.00 0.00 H new ATOM 0 HA ALA A 126 21.542 -8.257 -40.793 1.00 0.00 H new ATOM 0 HB1 ALA A 126 22.349 -6.060 -41.626 1.00 0.00 H new ATOM 0 HB2 ALA A 126 22.748 -6.290 -39.907 1.00 0.00 H new ATOM 0 HB3 ALA A 126 24.007 -6.494 -41.148 1.00 0.00 H new ATOM 893 N SER A 127 24.073 -8.991 -42.752 1.00 0.00 N ATOM 894 CA SER A 127 24.426 -9.464 -44.087 1.00 0.00 C ATOM 895 C SER A 127 23.980 -10.909 -44.284 1.00 0.00 C ATOM 896 O SER A 127 23.897 -11.395 -45.411 1.00 0.00 O ATOM 897 CB SER A 127 25.938 -9.363 -44.294 1.00 0.00 C ATOM 898 OG SER A 127 26.331 -8.001 -44.220 1.00 0.00 O ATOM 0 H SER A 127 24.842 -8.998 -42.082 1.00 0.00 H new ATOM 0 HA SER A 127 23.915 -8.837 -44.818 1.00 0.00 H new ATOM 0 HB2 SER A 127 26.460 -9.946 -43.535 1.00 0.00 H new ATOM 0 HB3 SER A 127 26.213 -9.781 -45.262 1.00 0.00 H new ATOM 0 HG SER A 127 27.300 -7.933 -44.351 1.00 0.00 H new ATOM 904 N ALA A 128 23.697 -11.593 -43.177 1.00 0.00 N ATOM 905 CA ALA A 128 23.261 -12.987 -43.232 1.00 0.00 C ATOM 906 C ALA A 128 24.456 -13.915 -43.442 1.00 0.00 C ATOM 907 O ALA A 128 24.306 -15.037 -43.926 1.00 0.00 O ATOM 908 CB ALA A 128 22.236 -13.176 -44.364 1.00 0.00 C ATOM 0 H ALA A 128 23.761 -11.207 -42.235 1.00 0.00 H new ATOM 0 HA ALA A 128 22.790 -13.241 -42.282 1.00 0.00 H new ATOM 0 HB1 ALA A 128 21.918 -14.218 -44.396 1.00 0.00 H new ATOM 0 HB2 ALA A 128 21.371 -12.538 -44.182 1.00 0.00 H new ATOM 0 HB3 ALA A 128 22.692 -12.906 -45.317 1.00 0.00 H new ATOM 914 N THR A 129 25.643 -13.441 -43.076 1.00 0.00 N ATOM 915 CA THR A 129 26.855 -14.236 -43.229 1.00 0.00 C ATOM 916 C THR A 129 26.946 -15.297 -42.137 1.00 0.00 C ATOM 917 O THR A 129 26.755 -15.006 -40.955 1.00 0.00 O ATOM 918 CB THR A 129 28.087 -13.333 -43.170 1.00 0.00 C ATOM 919 OG1 THR A 129 28.023 -12.381 -44.222 1.00 0.00 O ATOM 920 CG2 THR A 129 29.349 -14.182 -43.325 1.00 0.00 C ATOM 0 H THR A 129 25.791 -12.515 -42.674 1.00 0.00 H new ATOM 0 HA THR A 129 26.817 -14.733 -44.198 1.00 0.00 H new ATOM 0 HB THR A 129 28.115 -12.815 -42.211 1.00 0.00 H new ATOM 0 HG1 THR A 129 28.811 -11.800 -44.185 1.00 0.00 H new ATOM 0 HG21 THR A 129 30.228 -13.539 -43.283 1.00 0.00 H new ATOM 0 HG22 THR A 129 29.396 -14.914 -42.519 1.00 0.00 H new ATOM 0 HG23 THR A 129 29.324 -14.700 -44.284 1.00 0.00 H new ATOM 928 N ARG A 130 27.238 -16.527 -42.542 1.00 0.00 N ATOM 929 CA ARG A 130 27.350 -17.626 -41.592 1.00 0.00 C ATOM 930 C ARG A 130 28.680 -17.555 -40.848 1.00 0.00 C ATOM 931 O ARG A 130 29.718 -17.254 -41.437 1.00 0.00 O ATOM 932 CB ARG A 130 27.249 -18.962 -42.336 1.00 0.00 C ATOM 933 CG ARG A 130 25.910 -19.059 -43.087 1.00 0.00 C ATOM 934 CD ARG A 130 24.794 -19.500 -42.135 1.00 0.00 C ATOM 935 NE ARG A 130 25.092 -20.825 -41.609 1.00 0.00 N ATOM 936 CZ ARG A 130 24.472 -21.292 -40.532 1.00 0.00 C ATOM 937 NH1 ARG A 130 23.590 -20.555 -39.919 1.00 0.00 N ATOM 938 NH2 ARG A 130 24.754 -22.486 -40.086 1.00 0.00 N ATOM 0 H ARG A 130 27.400 -16.787 -43.515 1.00 0.00 H new ATOM 0 HA ARG A 130 26.538 -17.547 -40.869 1.00 0.00 H new ATOM 0 HB2 ARG A 130 28.076 -19.057 -43.040 1.00 0.00 H new ATOM 0 HB3 ARG A 130 27.337 -19.787 -41.629 1.00 0.00 H new ATOM 0 HG2 ARG A 130 25.661 -18.093 -43.526 1.00 0.00 H new ATOM 0 HG3 ARG A 130 25.997 -19.770 -43.909 1.00 0.00 H new ATOM 0 HD2 ARG A 130 24.698 -18.787 -41.317 1.00 0.00 H new ATOM 0 HD3 ARG A 130 23.839 -19.513 -42.660 1.00 0.00 H new ATOM 0 HE ARG A 130 25.789 -21.404 -42.076 1.00 0.00 H new ATOM 0 HH11 ARG A 130 23.376 -19.620 -40.267 1.00 0.00 H new ATOM 0 HH12 ARG A 130 23.113 -20.913 -39.091 1.00 0.00 H new ATOM 0 HH21 ARG A 130 25.450 -23.058 -40.565 1.00 0.00 H new ATOM 0 HH22 ARG A 130 24.279 -22.847 -39.259 1.00 0.00 H new ATOM 952 N SER A 131 28.641 -17.834 -39.549 1.00 0.00 N ATOM 953 CA SER A 131 29.847 -17.800 -38.725 1.00 0.00 C ATOM 954 C SER A 131 29.722 -18.771 -37.554 1.00 0.00 C ATOM 955 O SER A 131 28.603 -19.124 -37.219 1.00 0.00 O ATOM 956 CB SER A 131 30.071 -16.385 -38.193 1.00 0.00 C ATOM 957 OG SER A 131 30.031 -15.465 -39.276 1.00 0.00 O ATOM 958 OXT SER A 131 30.746 -19.149 -37.012 1.00 0.00 O ATOM 0 H SER A 131 27.791 -18.086 -39.044 1.00 0.00 H new ATOM 0 HA SER A 131 30.696 -18.097 -39.340 1.00 0.00 H new ATOM 0 HB2 SER A 131 29.305 -16.134 -37.459 1.00 0.00 H new ATOM 0 HB3 SER A 131 31.033 -16.323 -37.684 1.00 0.00 H new ATOM 0 HG SER A 131 30.173 -14.556 -38.938 1.00 0.00 H new TER 964 SER A 131