USER MOD reduce.3.24.130724 H: found=0, std=0, add=730, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 728 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 53 SER OG : rot 180:sc= -0.149 USER MOD Set 1.2: A 65 THR OG1 : rot 180:sc= -0.232 USER MOD Set 2.1: A 27 GLN : amide:sc= -0.202 K(o=-56,f=-44) USER MOD Set 2.2: A 32 TYR OH : rot 15:sc= -0.0654 USER MOD Set 2.3: A 103 ASN : amide:sc= -55.8! C(o=-56!,f=-44!) USER MOD Single : A 1 ALA N :NH3+ -122:sc= 0.104 (180deg=0) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 THR OG1 : rot 180:sc= -1.17 USER MOD Single : A 8 THR OG1 : rot -138:sc= -6.08! USER MOD Single : A 10 SER OG : rot 64:sc= -1.02! USER MOD Single : A 11 SER OG : rot 39:sc= 0.741 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 17 THR OG1 : rot 81:sc= 1.11 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 GLN : amide:sc= -12.9! C(o=-13!,f=-15!) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 ASN : amide:sc= -11! C(o=-11!,f=-13!) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 64 SER OG : rot 180:sc= -0.313 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 68 THR OG1 : rot 90:sc= -0.609 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 THR OG1 : rot 180:sc= 0.129 USER MOD Single : A 89 THR OG1 : rot 160:sc= 0.101 USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 94 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 98 SER OG : rot 115:sc= -11.5! USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 113 ASN : amide:sc= -4.72! C(o=-4.7!,f=-3.8!) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -0.450 11.473 -7.465 1.00 0.00 N ATOM 2 CA ALA A 1 0.923 11.824 -7.161 1.00 0.00 C ATOM 3 C ALA A 1 1.403 11.030 -5.955 1.00 0.00 C ATOM 4 O ALA A 1 0.595 10.517 -5.185 1.00 0.00 O ATOM 5 CB ALA A 1 1.016 13.324 -6.894 1.00 0.00 C ATOM 0 H1 ALA A 1 -0.510 11.117 -8.440 1.00 0.00 H new ATOM 0 H2 ALA A 1 -0.774 10.735 -6.807 1.00 0.00 H new ATOM 0 H3 ALA A 1 -1.053 12.314 -7.366 1.00 0.00 H new ATOM 0 HA ALA A 1 1.562 11.579 -8.009 1.00 0.00 H new ATOM 0 HB1 ALA A 1 2.048 13.590 -6.665 1.00 0.00 H new ATOM 0 HB2 ALA A 1 0.688 13.872 -7.777 1.00 0.00 H new ATOM 0 HB3 ALA A 1 0.379 13.583 -6.049 1.00 0.00 H new ATOM 11 N ALA A 2 2.725 10.930 -5.792 1.00 0.00 N ATOM 12 CA ALA A 2 3.305 10.199 -4.684 1.00 0.00 C ATOM 13 C ALA A 2 4.583 10.888 -4.225 1.00 0.00 C ATOM 14 O ALA A 2 5.446 11.204 -5.041 1.00 0.00 O ATOM 15 CB ALA A 2 3.589 8.764 -5.115 1.00 0.00 C ATOM 0 H ALA A 2 3.409 11.351 -6.421 1.00 0.00 H new ATOM 0 HA ALA A 2 2.605 10.181 -3.849 1.00 0.00 H new ATOM 0 HB1 ALA A 2 4.025 8.213 -4.282 1.00 0.00 H new ATOM 0 HB2 ALA A 2 2.659 8.285 -5.419 1.00 0.00 H new ATOM 0 HB3 ALA A 2 4.286 8.767 -5.953 1.00 0.00 H new ATOM 21 N PRO A 3 4.702 11.119 -2.916 1.00 0.00 N ATOM 22 CA PRO A 3 5.844 11.759 -2.301 1.00 0.00 C ATOM 23 C PRO A 3 7.031 10.807 -2.312 1.00 0.00 C ATOM 24 O PRO A 3 6.956 9.725 -2.891 1.00 0.00 O ATOM 25 CB PRO A 3 5.400 12.064 -0.872 1.00 0.00 C ATOM 26 CG PRO A 3 4.401 10.945 -0.582 1.00 0.00 C ATOM 27 CD PRO A 3 3.706 10.760 -1.929 1.00 0.00 C ATOM 0 HA PRO A 3 6.156 12.663 -2.825 1.00 0.00 H new ATOM 0 HB2 PRO A 3 6.239 12.048 -0.176 1.00 0.00 H new ATOM 0 HB3 PRO A 3 4.939 13.048 -0.793 1.00 0.00 H new ATOM 0 HG2 PRO A 3 4.899 10.032 -0.254 1.00 0.00 H new ATOM 0 HG3 PRO A 3 3.697 11.223 0.202 1.00 0.00 H new ATOM 0 HD2 PRO A 3 3.371 9.731 -2.062 1.00 0.00 H new ATOM 0 HD3 PRO A 3 2.824 11.396 -2.009 1.00 0.00 H new ATOM 35 N THR A 4 8.131 11.211 -1.672 1.00 0.00 N ATOM 36 CA THR A 4 9.324 10.391 -1.615 1.00 0.00 C ATOM 37 C THR A 4 9.346 9.596 -0.317 1.00 0.00 C ATOM 38 O THR A 4 9.503 10.166 0.760 1.00 0.00 O ATOM 39 CB THR A 4 10.558 11.281 -1.724 1.00 0.00 C ATOM 40 OG1 THR A 4 11.717 10.505 -1.518 1.00 0.00 O ATOM 41 CG2 THR A 4 10.487 12.381 -0.668 1.00 0.00 C ATOM 0 H THR A 4 8.211 12.105 -1.188 1.00 0.00 H new ATOM 0 HA THR A 4 9.324 9.687 -2.447 1.00 0.00 H new ATOM 0 HB THR A 4 10.595 11.732 -2.716 1.00 0.00 H new ATOM 0 HG1 THR A 4 12.510 11.076 -1.589 1.00 0.00 H new ATOM 0 HG21 THR A 4 11.369 13.017 -0.746 1.00 0.00 H new ATOM 0 HG22 THR A 4 9.591 12.981 -0.827 1.00 0.00 H new ATOM 0 HG23 THR A 4 10.450 11.931 0.324 1.00 0.00 H new ATOM 49 N ALA A 5 9.188 8.275 -0.423 1.00 0.00 N ATOM 50 CA ALA A 5 9.189 7.409 0.739 1.00 0.00 C ATOM 51 C ALA A 5 10.136 6.240 0.510 1.00 0.00 C ATOM 52 O ALA A 5 10.196 5.693 -0.590 1.00 0.00 O ATOM 53 CB ALA A 5 7.771 6.912 1.004 1.00 0.00 C ATOM 0 H ALA A 5 9.058 7.788 -1.310 1.00 0.00 H new ATOM 0 HA ALA A 5 9.534 7.965 1.611 1.00 0.00 H new ATOM 0 HB1 ALA A 5 7.771 6.261 1.878 1.00 0.00 H new ATOM 0 HB2 ALA A 5 7.115 7.763 1.186 1.00 0.00 H new ATOM 0 HB3 ALA A 5 7.412 6.357 0.137 1.00 0.00 H new ATOM 59 N THR A 6 10.878 5.857 1.551 1.00 0.00 N ATOM 60 CA THR A 6 11.815 4.756 1.453 1.00 0.00 C ATOM 61 C THR A 6 11.222 3.511 2.098 1.00 0.00 C ATOM 62 O THR A 6 11.057 3.457 3.314 1.00 0.00 O ATOM 63 CB THR A 6 13.126 5.143 2.131 1.00 0.00 C ATOM 64 OG1 THR A 6 12.862 6.043 3.184 1.00 0.00 O ATOM 65 CG2 THR A 6 14.049 5.808 1.114 1.00 0.00 C ATOM 0 H THR A 6 10.842 6.299 2.469 1.00 0.00 H new ATOM 0 HA THR A 6 12.013 4.537 0.404 1.00 0.00 H new ATOM 0 HB THR A 6 13.607 4.249 2.528 1.00 0.00 H new ATOM 0 HG1 THR A 6 13.703 6.291 3.621 1.00 0.00 H new ATOM 0 HG21 THR A 6 14.985 6.084 1.599 1.00 0.00 H new ATOM 0 HG22 THR A 6 14.253 5.113 0.299 1.00 0.00 H new ATOM 0 HG23 THR A 6 13.569 6.702 0.717 1.00 0.00 H new ATOM 73 N VAL A 7 10.902 2.508 1.277 1.00 0.00 N ATOM 74 CA VAL A 7 10.330 1.271 1.768 1.00 0.00 C ATOM 75 C VAL A 7 11.360 0.154 1.671 1.00 0.00 C ATOM 76 O VAL A 7 12.273 0.218 0.852 1.00 0.00 O ATOM 77 CB VAL A 7 9.084 0.929 0.956 1.00 0.00 C ATOM 78 CG1 VAL A 7 8.400 2.218 0.508 1.00 0.00 C ATOM 79 CG2 VAL A 7 9.484 0.113 -0.270 1.00 0.00 C ATOM 0 H VAL A 7 11.034 2.538 0.266 1.00 0.00 H new ATOM 0 HA VAL A 7 10.045 1.387 2.814 1.00 0.00 H new ATOM 0 HB VAL A 7 8.397 0.348 1.571 1.00 0.00 H new ATOM 0 HG11 VAL A 7 7.510 1.975 -0.072 1.00 0.00 H new ATOM 0 HG12 VAL A 7 8.115 2.802 1.383 1.00 0.00 H new ATOM 0 HG13 VAL A 7 9.087 2.799 -0.107 1.00 0.00 H new ATOM 0 HG21 VAL A 7 8.594 -0.132 -0.850 1.00 0.00 H new ATOM 0 HG22 VAL A 7 10.171 0.694 -0.886 1.00 0.00 H new ATOM 0 HG23 VAL A 7 9.973 -0.807 0.049 1.00 0.00 H new ATOM 89 N THR A 8 11.211 -0.873 2.511 1.00 0.00 N ATOM 90 CA THR A 8 12.128 -1.995 2.511 1.00 0.00 C ATOM 91 C THR A 8 11.987 -2.781 1.216 1.00 0.00 C ATOM 92 O THR A 8 11.143 -2.461 0.381 1.00 0.00 O ATOM 93 CB THR A 8 11.841 -2.885 3.717 1.00 0.00 C ATOM 94 OG1 THR A 8 13.056 -3.368 4.245 1.00 0.00 O ATOM 95 CG2 THR A 8 10.970 -4.062 3.286 1.00 0.00 C ATOM 0 H THR A 8 10.460 -0.943 3.198 1.00 0.00 H new ATOM 0 HA THR A 8 13.153 -1.630 2.579 1.00 0.00 H new ATOM 0 HB THR A 8 11.318 -2.306 4.479 1.00 0.00 H new ATOM 0 HG1 THR A 8 12.957 -4.314 4.482 1.00 0.00 H new ATOM 0 HG21 THR A 8 10.765 -4.698 4.147 1.00 0.00 H new ATOM 0 HG22 THR A 8 10.030 -3.689 2.878 1.00 0.00 H new ATOM 0 HG23 THR A 8 11.492 -4.641 2.524 1.00 0.00 H new ATOM 103 N PRO A 9 12.818 -3.813 1.049 1.00 0.00 N ATOM 104 CA PRO A 9 12.828 -4.672 -0.115 1.00 0.00 C ATOM 105 C PRO A 9 11.601 -5.572 -0.096 1.00 0.00 C ATOM 106 O PRO A 9 11.432 -6.376 0.818 1.00 0.00 O ATOM 107 CB PRO A 9 14.110 -5.492 0.016 1.00 0.00 C ATOM 108 CG PRO A 9 14.301 -5.583 1.529 1.00 0.00 C ATOM 109 CD PRO A 9 13.822 -4.216 2.010 1.00 0.00 C ATOM 0 HA PRO A 9 12.801 -4.117 -1.053 1.00 0.00 H new ATOM 0 HB2 PRO A 9 14.008 -6.477 -0.439 1.00 0.00 H new ATOM 0 HB3 PRO A 9 14.954 -5.003 -0.470 1.00 0.00 H new ATOM 0 HG2 PRO A 9 13.715 -6.393 1.963 1.00 0.00 H new ATOM 0 HG3 PRO A 9 15.342 -5.764 1.796 1.00 0.00 H new ATOM 0 HD2 PRO A 9 13.405 -4.275 3.015 1.00 0.00 H new ATOM 0 HD3 PRO A 9 14.643 -3.500 2.047 1.00 0.00 H new ATOM 117 N SER A 10 10.741 -5.434 -1.108 1.00 0.00 N ATOM 118 CA SER A 10 9.536 -6.233 -1.201 1.00 0.00 C ATOM 119 C SER A 10 9.616 -7.149 -2.414 1.00 0.00 C ATOM 120 O SER A 10 8.632 -7.320 -3.131 1.00 0.00 O ATOM 121 CB SER A 10 8.323 -5.313 -1.296 1.00 0.00 C ATOM 122 OG SER A 10 8.192 -4.844 -2.619 1.00 0.00 O ATOM 0 H SER A 10 10.866 -4.771 -1.873 1.00 0.00 H new ATOM 0 HA SER A 10 9.436 -6.853 -0.310 1.00 0.00 H new ATOM 0 HB2 SER A 10 7.422 -5.849 -0.998 1.00 0.00 H new ATOM 0 HB3 SER A 10 8.435 -4.473 -0.610 1.00 0.00 H new ATOM 0 HG SER A 10 8.007 -5.598 -3.217 1.00 0.00 H new ATOM 128 N SER A 11 10.792 -7.738 -2.644 1.00 0.00 N ATOM 129 CA SER A 11 10.991 -8.632 -3.766 1.00 0.00 C ATOM 130 C SER A 11 11.481 -9.985 -3.268 1.00 0.00 C ATOM 131 O SER A 11 12.636 -10.122 -2.872 1.00 0.00 O ATOM 132 CB SER A 11 11.997 -8.016 -4.734 1.00 0.00 C ATOM 133 OG SER A 11 13.196 -7.732 -4.047 1.00 0.00 O ATOM 0 H SER A 11 11.618 -7.605 -2.061 1.00 0.00 H new ATOM 0 HA SER A 11 10.046 -8.780 -4.289 1.00 0.00 H new ATOM 0 HB2 SER A 11 12.191 -8.702 -5.559 1.00 0.00 H new ATOM 0 HB3 SER A 11 11.589 -7.103 -5.168 1.00 0.00 H new ATOM 0 HG SER A 11 13.385 -8.451 -3.408 1.00 0.00 H new ATOM 139 N GLY A 12 10.598 -10.986 -3.288 1.00 0.00 N ATOM 140 CA GLY A 12 10.949 -12.319 -2.839 1.00 0.00 C ATOM 141 C GLY A 12 10.580 -12.496 -1.373 1.00 0.00 C ATOM 142 O GLY A 12 11.186 -13.303 -0.671 1.00 0.00 O ATOM 0 H GLY A 12 9.636 -10.890 -3.612 1.00 0.00 H new ATOM 0 HA2 GLY A 12 10.430 -13.062 -3.444 1.00 0.00 H new ATOM 0 HA3 GLY A 12 12.017 -12.487 -2.975 1.00 0.00 H new ATOM 146 N LEU A 13 9.583 -11.738 -0.911 1.00 0.00 N ATOM 147 CA LEU A 13 9.139 -11.813 0.466 1.00 0.00 C ATOM 148 C LEU A 13 7.913 -12.710 0.565 1.00 0.00 C ATOM 149 O LEU A 13 6.974 -12.570 -0.216 1.00 0.00 O ATOM 150 CB LEU A 13 8.824 -10.410 0.976 1.00 0.00 C ATOM 151 CG LEU A 13 9.880 -9.434 0.465 1.00 0.00 C ATOM 152 CD1 LEU A 13 10.110 -8.342 1.505 1.00 0.00 C ATOM 153 CD2 LEU A 13 11.186 -10.183 0.216 1.00 0.00 C ATOM 0 H LEU A 13 9.071 -11.064 -1.481 1.00 0.00 H new ATOM 0 HA LEU A 13 9.929 -12.241 1.083 1.00 0.00 H new ATOM 0 HB2 LEU A 13 7.835 -10.102 0.638 1.00 0.00 H new ATOM 0 HB3 LEU A 13 8.804 -10.403 2.066 1.00 0.00 H new ATOM 0 HG LEU A 13 9.537 -8.982 -0.466 1.00 0.00 H new ATOM 0 HD11 LEU A 13 10.864 -7.645 1.140 1.00 0.00 H new ATOM 0 HD12 LEU A 13 9.177 -7.807 1.683 1.00 0.00 H new ATOM 0 HD13 LEU A 13 10.453 -8.793 2.436 1.00 0.00 H new ATOM 0 HD21 LEU A 13 11.941 -9.487 -0.149 1.00 0.00 H new ATOM 0 HD22 LEU A 13 11.529 -10.635 1.146 1.00 0.00 H new ATOM 0 HD23 LEU A 13 11.022 -10.963 -0.528 1.00 0.00 H new ATOM 165 N SER A 14 7.923 -13.633 1.529 1.00 0.00 N ATOM 166 CA SER A 14 6.814 -14.545 1.725 1.00 0.00 C ATOM 167 C SER A 14 5.820 -13.945 2.710 1.00 0.00 C ATOM 168 O SER A 14 6.198 -13.160 3.576 1.00 0.00 O ATOM 169 CB SER A 14 7.341 -15.883 2.235 1.00 0.00 C ATOM 170 OG SER A 14 8.248 -16.419 1.298 1.00 0.00 O ATOM 0 H SER A 14 8.694 -13.762 2.184 1.00 0.00 H new ATOM 0 HA SER A 14 6.301 -14.709 0.777 1.00 0.00 H new ATOM 0 HB2 SER A 14 7.833 -15.749 3.198 1.00 0.00 H new ATOM 0 HB3 SER A 14 6.514 -16.575 2.394 1.00 0.00 H new ATOM 0 HG SER A 14 8.588 -17.278 1.626 1.00 0.00 H new ATOM 176 N ASP A 15 4.546 -14.319 2.575 1.00 0.00 N ATOM 177 CA ASP A 15 3.506 -13.818 3.451 1.00 0.00 C ATOM 178 C ASP A 15 3.992 -13.842 4.893 1.00 0.00 C ATOM 179 O ASP A 15 4.625 -14.804 5.320 1.00 0.00 O ATOM 180 CB ASP A 15 2.251 -14.670 3.289 1.00 0.00 C ATOM 181 CG ASP A 15 2.461 -16.063 3.866 1.00 0.00 C ATOM 182 OD1 ASP A 15 2.975 -16.917 3.113 1.00 0.00 O ATOM 183 OD2 ASP A 15 2.103 -16.246 5.050 1.00 0.00 O ATOM 0 H ASP A 15 4.217 -14.970 1.862 1.00 0.00 H new ATOM 0 HA ASP A 15 3.266 -12.788 3.186 1.00 0.00 H new ATOM 0 HB2 ASP A 15 1.412 -14.187 3.790 1.00 0.00 H new ATOM 0 HB3 ASP A 15 1.991 -14.745 2.233 1.00 0.00 H new ATOM 188 N GLY A 16 3.695 -12.779 5.645 1.00 0.00 N ATOM 189 CA GLY A 16 4.105 -12.689 7.032 1.00 0.00 C ATOM 190 C GLY A 16 5.272 -11.723 7.175 1.00 0.00 C ATOM 191 O GLY A 16 5.526 -11.209 8.262 1.00 0.00 O ATOM 0 H GLY A 16 3.171 -11.972 5.308 1.00 0.00 H new ATOM 0 HA2 GLY A 16 3.268 -12.353 7.645 1.00 0.00 H new ATOM 0 HA3 GLY A 16 4.393 -13.675 7.398 1.00 0.00 H new ATOM 195 N THR A 17 5.984 -11.476 6.073 1.00 0.00 N ATOM 196 CA THR A 17 7.118 -10.574 6.085 1.00 0.00 C ATOM 197 C THR A 17 6.652 -9.160 6.399 1.00 0.00 C ATOM 198 O THR A 17 5.546 -8.771 6.031 1.00 0.00 O ATOM 199 CB THR A 17 7.820 -10.624 4.731 1.00 0.00 C ATOM 200 OG1 THR A 17 8.218 -11.948 4.457 1.00 0.00 O ATOM 201 CG2 THR A 17 9.050 -9.720 4.762 1.00 0.00 C ATOM 0 H THR A 17 5.788 -11.893 5.163 1.00 0.00 H new ATOM 0 HA THR A 17 7.823 -10.881 6.858 1.00 0.00 H new ATOM 0 HB THR A 17 7.136 -10.281 3.954 1.00 0.00 H new ATOM 0 HG1 THR A 17 7.453 -12.455 4.112 1.00 0.00 H new ATOM 0 HG21 THR A 17 9.552 -9.755 3.795 1.00 0.00 H new ATOM 0 HG22 THR A 17 8.744 -8.696 4.975 1.00 0.00 H new ATOM 0 HG23 THR A 17 9.734 -10.063 5.539 1.00 0.00 H new ATOM 209 N VAL A 18 7.501 -8.389 7.083 1.00 0.00 N ATOM 210 CA VAL A 18 7.175 -7.024 7.443 1.00 0.00 C ATOM 211 C VAL A 18 8.042 -6.060 6.646 1.00 0.00 C ATOM 212 O VAL A 18 9.264 -6.071 6.773 1.00 0.00 O ATOM 213 CB VAL A 18 7.388 -6.830 8.942 1.00 0.00 C ATOM 214 CG1 VAL A 18 8.882 -6.836 9.249 1.00 0.00 C ATOM 215 CG2 VAL A 18 6.786 -5.495 9.371 1.00 0.00 C ATOM 0 H VAL A 18 8.422 -8.697 7.396 1.00 0.00 H new ATOM 0 HA VAL A 18 6.130 -6.821 7.208 1.00 0.00 H new ATOM 0 HB VAL A 18 6.903 -7.640 9.486 1.00 0.00 H new ATOM 0 HG11 VAL A 18 9.034 -6.697 10.319 1.00 0.00 H new ATOM 0 HG12 VAL A 18 9.313 -7.789 8.942 1.00 0.00 H new ATOM 0 HG13 VAL A 18 9.368 -6.026 8.706 1.00 0.00 H new ATOM 0 HG21 VAL A 18 6.937 -5.355 10.441 1.00 0.00 H new ATOM 0 HG22 VAL A 18 7.272 -4.685 8.827 1.00 0.00 H new ATOM 0 HG23 VAL A 18 5.718 -5.490 9.152 1.00 0.00 H new ATOM 225 N VAL A 19 7.405 -5.224 5.822 1.00 0.00 N ATOM 226 CA VAL A 19 8.119 -4.260 5.010 1.00 0.00 C ATOM 227 C VAL A 19 8.154 -2.914 5.720 1.00 0.00 C ATOM 228 O VAL A 19 7.403 -2.690 6.667 1.00 0.00 O ATOM 229 CB VAL A 19 7.436 -4.136 3.651 1.00 0.00 C ATOM 230 CG1 VAL A 19 7.305 -5.519 3.019 1.00 0.00 C ATOM 231 CG2 VAL A 19 6.049 -3.527 3.832 1.00 0.00 C ATOM 0 H VAL A 19 6.392 -5.203 5.706 1.00 0.00 H new ATOM 0 HA VAL A 19 9.145 -4.595 4.857 1.00 0.00 H new ATOM 0 HB VAL A 19 8.033 -3.495 3.002 1.00 0.00 H new ATOM 0 HG11 VAL A 19 6.817 -5.431 2.048 1.00 0.00 H new ATOM 0 HG12 VAL A 19 8.296 -5.955 2.889 1.00 0.00 H new ATOM 0 HG13 VAL A 19 6.709 -6.160 3.668 1.00 0.00 H new ATOM 0 HG21 VAL A 19 5.561 -3.438 2.861 1.00 0.00 H new ATOM 0 HG22 VAL A 19 5.452 -4.168 4.481 1.00 0.00 H new ATOM 0 HG23 VAL A 19 6.141 -2.539 4.283 1.00 0.00 H new ATOM 241 N LYS A 20 9.030 -2.017 5.261 1.00 0.00 N ATOM 242 CA LYS A 20 9.157 -0.702 5.855 1.00 0.00 C ATOM 243 C LYS A 20 8.720 0.361 4.857 1.00 0.00 C ATOM 244 O LYS A 20 8.802 0.153 3.649 1.00 0.00 O ATOM 245 CB LYS A 20 10.603 -0.476 6.286 1.00 0.00 C ATOM 246 CG LYS A 20 10.627 0.308 7.595 1.00 0.00 C ATOM 247 CD LYS A 20 10.613 1.804 7.293 1.00 0.00 C ATOM 248 CE LYS A 20 11.999 2.388 7.552 1.00 0.00 C ATOM 249 NZ LYS A 20 12.820 2.361 6.332 1.00 0.00 N ATOM 0 H LYS A 20 9.660 -2.187 4.477 1.00 0.00 H new ATOM 0 HA LYS A 20 8.515 -0.633 6.733 1.00 0.00 H new ATOM 0 HB2 LYS A 20 11.109 -1.433 6.413 1.00 0.00 H new ATOM 0 HB3 LYS A 20 11.143 0.070 5.513 1.00 0.00 H new ATOM 0 HG2 LYS A 20 9.765 0.042 8.207 1.00 0.00 H new ATOM 0 HG3 LYS A 20 11.517 0.050 8.169 1.00 0.00 H new ATOM 0 HD2 LYS A 20 10.323 1.974 6.256 1.00 0.00 H new ATOM 0 HD3 LYS A 20 9.873 2.305 7.917 1.00 0.00 H new ATOM 0 HE2 LYS A 20 11.904 3.414 7.908 1.00 0.00 H new ATOM 0 HE3 LYS A 20 12.494 1.821 8.340 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 13.757 2.764 6.535 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 12.928 1.379 6.008 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 12.356 2.922 5.589 1.00 0.00 H new ATOM 263 N VAL A 21 8.256 1.505 5.366 1.00 0.00 N ATOM 264 CA VAL A 21 7.809 2.593 4.520 1.00 0.00 C ATOM 265 C VAL A 21 8.058 3.923 5.218 1.00 0.00 C ATOM 266 O VAL A 21 7.441 4.215 6.240 1.00 0.00 O ATOM 267 CB VAL A 21 6.326 2.417 4.206 1.00 0.00 C ATOM 268 CG1 VAL A 21 5.497 3.241 5.186 1.00 0.00 C ATOM 269 CG2 VAL A 21 6.049 2.890 2.782 1.00 0.00 C ATOM 0 H VAL A 21 8.183 1.694 6.366 1.00 0.00 H new ATOM 0 HA VAL A 21 8.368 2.585 3.584 1.00 0.00 H new ATOM 0 HB VAL A 21 6.057 1.365 4.299 1.00 0.00 H new ATOM 0 HG11 VAL A 21 4.438 3.115 4.962 1.00 0.00 H new ATOM 0 HG12 VAL A 21 5.695 2.904 6.203 1.00 0.00 H new ATOM 0 HG13 VAL A 21 5.765 4.294 5.094 1.00 0.00 H new ATOM 0 HG21 VAL A 21 4.990 2.765 2.557 1.00 0.00 H new ATOM 0 HG22 VAL A 21 6.318 3.942 2.689 1.00 0.00 H new ATOM 0 HG23 VAL A 21 6.641 2.301 2.081 1.00 0.00 H new ATOM 279 N ALA A 22 8.966 4.729 4.662 1.00 0.00 N ATOM 280 CA ALA A 22 9.292 6.021 5.232 1.00 0.00 C ATOM 281 C ALA A 22 9.022 7.118 4.212 1.00 0.00 C ATOM 282 O ALA A 22 9.680 7.181 3.177 1.00 0.00 O ATOM 283 CB ALA A 22 10.755 6.031 5.663 1.00 0.00 C ATOM 0 H ALA A 22 9.486 4.501 3.814 1.00 0.00 H new ATOM 0 HA ALA A 22 8.668 6.205 6.107 1.00 0.00 H new ATOM 0 HB1 ALA A 22 11.001 7.002 6.092 1.00 0.00 H new ATOM 0 HB2 ALA A 22 10.920 5.253 6.408 1.00 0.00 H new ATOM 0 HB3 ALA A 22 11.391 5.845 4.797 1.00 0.00 H new ATOM 289 N GLY A 23 8.049 7.984 4.506 1.00 0.00 N ATOM 290 CA GLY A 23 7.701 9.070 3.611 1.00 0.00 C ATOM 291 C GLY A 23 8.619 10.261 3.846 1.00 0.00 C ATOM 292 O GLY A 23 9.063 10.495 4.968 1.00 0.00 O ATOM 0 H GLY A 23 7.493 7.947 5.360 1.00 0.00 H new ATOM 0 HA2 GLY A 23 7.782 8.738 2.576 1.00 0.00 H new ATOM 0 HA3 GLY A 23 6.664 9.364 3.771 1.00 0.00 H new ATOM 296 N ALA A 24 8.904 11.015 2.781 1.00 0.00 N ATOM 297 CA ALA A 24 9.767 12.175 2.875 1.00 0.00 C ATOM 298 C ALA A 24 9.319 13.233 1.876 1.00 0.00 C ATOM 299 O ALA A 24 9.475 13.054 0.670 1.00 0.00 O ATOM 300 CB ALA A 24 11.210 11.757 2.610 1.00 0.00 C ATOM 0 H ALA A 24 8.544 10.834 1.844 1.00 0.00 H new ATOM 0 HA ALA A 24 9.704 12.600 3.877 1.00 0.00 H new ATOM 0 HB1 ALA A 24 11.860 12.629 2.680 1.00 0.00 H new ATOM 0 HB2 ALA A 24 11.516 11.016 3.349 1.00 0.00 H new ATOM 0 HB3 ALA A 24 11.287 11.327 1.611 1.00 0.00 H new ATOM 306 N GLY A 25 8.762 14.336 2.379 1.00 0.00 N ATOM 307 CA GLY A 25 8.297 15.411 1.525 1.00 0.00 C ATOM 308 C GLY A 25 6.775 15.438 1.493 1.00 0.00 C ATOM 309 O GLY A 25 6.181 16.096 0.641 1.00 0.00 O ATOM 0 H GLY A 25 8.625 14.501 3.376 1.00 0.00 H new ATOM 0 HA2 GLY A 25 8.677 16.365 1.890 1.00 0.00 H new ATOM 0 HA3 GLY A 25 8.687 15.278 0.516 1.00 0.00 H new ATOM 313 N LEU A 26 6.144 14.720 2.425 1.00 0.00 N ATOM 314 CA LEU A 26 4.698 14.665 2.500 1.00 0.00 C ATOM 315 C LEU A 26 4.185 15.771 3.411 1.00 0.00 C ATOM 316 O LEU A 26 4.956 16.373 4.155 1.00 0.00 O ATOM 317 CB LEU A 26 4.268 13.295 3.017 1.00 0.00 C ATOM 318 CG LEU A 26 5.435 12.319 2.901 1.00 0.00 C ATOM 319 CD1 LEU A 26 4.906 10.888 2.932 1.00 0.00 C ATOM 320 CD2 LEU A 26 6.171 12.561 1.587 1.00 0.00 C ATOM 0 H LEU A 26 6.622 14.169 3.138 1.00 0.00 H new ATOM 0 HA LEU A 26 4.273 14.814 1.507 1.00 0.00 H new ATOM 0 HB2 LEU A 26 3.945 13.371 4.055 1.00 0.00 H new ATOM 0 HB3 LEU A 26 3.416 12.929 2.444 1.00 0.00 H new ATOM 0 HG LEU A 26 6.120 12.471 3.735 1.00 0.00 H new ATOM 0 HD11 LEU A 26 5.739 10.190 2.849 1.00 0.00 H new ATOM 0 HD12 LEU A 26 4.380 10.715 3.871 1.00 0.00 H new ATOM 0 HD13 LEU A 26 4.221 10.735 2.098 1.00 0.00 H new ATOM 0 HD21 LEU A 26 7.005 11.864 1.503 1.00 0.00 H new ATOM 0 HD22 LEU A 26 5.486 12.409 0.753 1.00 0.00 H new ATOM 0 HD23 LEU A 26 6.549 13.583 1.564 1.00 0.00 H new ATOM 332 N GLN A 27 2.878 16.036 3.353 1.00 0.00 N ATOM 333 CA GLN A 27 2.270 17.067 4.171 1.00 0.00 C ATOM 334 C GLN A 27 2.672 16.875 5.626 1.00 0.00 C ATOM 335 O GLN A 27 2.374 15.843 6.224 1.00 0.00 O ATOM 336 CB GLN A 27 0.753 17.008 4.017 1.00 0.00 C ATOM 337 CG GLN A 27 0.379 17.250 2.557 1.00 0.00 C ATOM 338 CD GLN A 27 -1.122 17.114 2.352 1.00 0.00 C ATOM 339 OE1 GLN A 27 -1.807 18.100 2.089 1.00 0.00 O ATOM 340 NE2 GLN A 27 -1.634 15.886 2.472 1.00 0.00 N ATOM 0 H GLN A 27 2.225 15.544 2.743 1.00 0.00 H new ATOM 0 HA GLN A 27 2.618 18.047 3.845 1.00 0.00 H new ATOM 0 HB2 GLN A 27 0.381 16.036 4.342 1.00 0.00 H new ATOM 0 HB3 GLN A 27 0.283 17.758 4.653 1.00 0.00 H new ATOM 0 HG2 GLN A 27 0.703 18.246 2.255 1.00 0.00 H new ATOM 0 HG3 GLN A 27 0.903 16.537 1.920 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -1.024 15.098 2.692 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -2.635 15.736 2.344 1.00 0.00 H new ATOM 349 N ALA A 28 3.351 17.874 6.196 1.00 0.00 N ATOM 350 CA ALA A 28 3.790 17.810 7.575 1.00 0.00 C ATOM 351 C ALA A 28 2.594 17.955 8.505 1.00 0.00 C ATOM 352 O ALA A 28 1.744 18.819 8.296 1.00 0.00 O ATOM 353 CB ALA A 28 4.813 18.913 7.834 1.00 0.00 C ATOM 0 H ALA A 28 3.605 18.736 5.714 1.00 0.00 H new ATOM 0 HA ALA A 28 4.259 16.845 7.767 1.00 0.00 H new ATOM 0 HB1 ALA A 28 5.144 18.866 8.871 1.00 0.00 H new ATOM 0 HB2 ALA A 28 5.669 18.778 7.173 1.00 0.00 H new ATOM 0 HB3 ALA A 28 4.357 19.884 7.642 1.00 0.00 H new ATOM 359 N GLY A 29 2.527 17.107 9.534 1.00 0.00 N ATOM 360 CA GLY A 29 1.434 17.149 10.484 1.00 0.00 C ATOM 361 C GLY A 29 0.169 16.575 9.861 1.00 0.00 C ATOM 362 O GLY A 29 -0.909 16.664 10.443 1.00 0.00 O ATOM 0 H GLY A 29 3.222 16.385 9.723 1.00 0.00 H new ATOM 0 HA2 GLY A 29 1.697 16.582 11.377 1.00 0.00 H new ATOM 0 HA3 GLY A 29 1.257 18.177 10.800 1.00 0.00 H new ATOM 366 N THR A 30 0.304 15.983 8.671 1.00 0.00 N ATOM 367 CA THR A 30 -0.827 15.399 7.979 1.00 0.00 C ATOM 368 C THR A 30 -0.867 13.898 8.225 1.00 0.00 C ATOM 369 O THR A 30 0.174 13.248 8.285 1.00 0.00 O ATOM 370 CB THR A 30 -0.719 15.699 6.487 1.00 0.00 C ATOM 371 OG1 THR A 30 -1.767 16.563 6.105 1.00 0.00 O ATOM 372 CG2 THR A 30 -0.820 14.397 5.697 1.00 0.00 C ATOM 0 H THR A 30 1.191 15.900 8.174 1.00 0.00 H new ATOM 0 HA THR A 30 -1.752 15.833 8.359 1.00 0.00 H new ATOM 0 HB THR A 30 0.239 16.175 6.280 1.00 0.00 H new ATOM 0 HG1 THR A 30 -1.698 16.758 5.147 1.00 0.00 H new ATOM 0 HG21 THR A 30 -0.743 14.611 4.631 1.00 0.00 H new ATOM 0 HG22 THR A 30 -0.011 13.729 5.992 1.00 0.00 H new ATOM 0 HG23 THR A 30 -1.778 13.920 5.903 1.00 0.00 H new ATOM 380 N ALA A 31 -2.075 13.348 8.368 1.00 0.00 N ATOM 381 CA ALA A 31 -2.246 11.929 8.608 1.00 0.00 C ATOM 382 C ALA A 31 -2.270 11.182 7.282 1.00 0.00 C ATOM 383 O ALA A 31 -2.640 11.747 6.255 1.00 0.00 O ATOM 384 CB ALA A 31 -3.539 11.697 9.383 1.00 0.00 C ATOM 0 H ALA A 31 -2.948 13.874 8.320 1.00 0.00 H new ATOM 0 HA ALA A 31 -1.412 11.553 9.200 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -3.668 10.630 9.564 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -3.491 12.223 10.336 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -4.383 12.072 8.803 1.00 0.00 H new ATOM 390 N TYR A 32 -1.873 9.907 7.305 1.00 0.00 N ATOM 391 CA TYR A 32 -1.850 9.093 6.107 1.00 0.00 C ATOM 392 C TYR A 32 -2.374 7.699 6.419 1.00 0.00 C ATOM 393 O TYR A 32 -2.240 7.221 7.544 1.00 0.00 O ATOM 394 CB TYR A 32 -0.425 9.027 5.566 1.00 0.00 C ATOM 395 CG TYR A 32 0.035 10.312 4.920 1.00 0.00 C ATOM 396 CD1 TYR A 32 -0.498 10.705 3.686 1.00 0.00 C ATOM 397 CD2 TYR A 32 0.994 11.111 5.554 1.00 0.00 C ATOM 398 CE1 TYR A 32 -0.071 11.896 3.087 1.00 0.00 C ATOM 399 CE2 TYR A 32 1.421 12.302 4.955 1.00 0.00 C ATOM 400 CZ TYR A 32 0.888 12.695 3.721 1.00 0.00 C ATOM 401 OH TYR A 32 1.304 13.855 3.137 1.00 0.00 O ATOM 0 H TYR A 32 -1.564 9.423 8.148 1.00 0.00 H new ATOM 0 HA TYR A 32 -2.493 9.538 5.348 1.00 0.00 H new ATOM 0 HB2 TYR A 32 0.253 8.777 6.382 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -0.359 8.219 4.837 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -1.238 10.089 3.197 1.00 0.00 H new ATOM 0 HD2 TYR A 32 1.405 10.808 6.506 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -0.482 12.199 2.135 1.00 0.00 H new ATOM 0 HE2 TYR A 32 2.161 12.918 5.444 1.00 0.00 H new ATOM 0 HH TYR A 32 0.682 14.102 2.421 1.00 0.00 H new ATOM 411 N ASP A 33 -2.972 7.046 5.420 1.00 0.00 N ATOM 412 CA ASP A 33 -3.512 5.713 5.594 1.00 0.00 C ATOM 413 C ASP A 33 -2.772 4.736 4.692 1.00 0.00 C ATOM 414 O ASP A 33 -2.851 4.835 3.469 1.00 0.00 O ATOM 415 CB ASP A 33 -5.004 5.723 5.271 1.00 0.00 C ATOM 416 CG ASP A 33 -5.821 6.134 6.488 1.00 0.00 C ATOM 417 OD1 ASP A 33 -5.385 5.787 7.607 1.00 0.00 O ATOM 418 OD2 ASP A 33 -6.865 6.787 6.277 1.00 0.00 O ATOM 0 H ASP A 33 -3.090 7.428 4.482 1.00 0.00 H new ATOM 0 HA ASP A 33 -3.380 5.395 6.628 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -5.197 6.412 4.449 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -5.314 4.733 4.937 1.00 0.00 H new ATOM 423 N VAL A 34 -2.051 3.790 5.298 1.00 0.00 N ATOM 424 CA VAL A 34 -1.301 2.802 4.548 1.00 0.00 C ATOM 425 C VAL A 34 -2.096 1.506 4.466 1.00 0.00 C ATOM 426 O VAL A 34 -2.726 1.100 5.440 1.00 0.00 O ATOM 427 CB VAL A 34 0.047 2.567 5.224 1.00 0.00 C ATOM 428 CG1 VAL A 34 1.096 2.239 4.166 1.00 0.00 C ATOM 429 CG2 VAL A 34 0.463 3.827 5.979 1.00 0.00 C ATOM 0 H VAL A 34 -1.976 3.694 6.311 1.00 0.00 H new ATOM 0 HA VAL A 34 -1.126 3.164 3.535 1.00 0.00 H new ATOM 0 HB VAL A 34 -0.037 1.735 5.923 1.00 0.00 H new ATOM 0 HG11 VAL A 34 2.059 2.071 4.648 1.00 0.00 H new ATOM 0 HG12 VAL A 34 0.799 1.340 3.626 1.00 0.00 H new ATOM 0 HG13 VAL A 34 1.180 3.071 3.467 1.00 0.00 H new ATOM 0 HG21 VAL A 34 1.426 3.660 6.462 1.00 0.00 H new ATOM 0 HG22 VAL A 34 0.547 4.659 5.280 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -0.286 4.062 6.735 1.00 0.00 H new ATOM 439 N GLY A 35 -2.065 0.857 3.300 1.00 0.00 N ATOM 440 CA GLY A 35 -2.783 -0.387 3.102 1.00 0.00 C ATOM 441 C GLY A 35 -2.205 -1.147 1.917 1.00 0.00 C ATOM 442 O GLY A 35 -1.583 -0.553 1.039 1.00 0.00 O ATOM 0 H GLY A 35 -1.547 1.179 2.482 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -2.719 -0.999 4.002 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -3.840 -0.182 2.931 1.00 0.00 H new ATOM 446 N GLN A 36 -2.412 -2.465 1.893 1.00 0.00 N ATOM 447 CA GLN A 36 -1.911 -3.298 0.818 1.00 0.00 C ATOM 448 C GLN A 36 -3.005 -3.519 -0.217 1.00 0.00 C ATOM 449 O GLN A 36 -4.010 -4.166 0.067 1.00 0.00 O ATOM 450 CB GLN A 36 -1.432 -4.629 1.390 1.00 0.00 C ATOM 451 CG GLN A 36 -0.986 -5.542 0.251 1.00 0.00 C ATOM 452 CD GLN A 36 -0.669 -6.938 0.767 1.00 0.00 C ATOM 453 OE1 GLN A 36 -1.331 -7.431 1.677 1.00 0.00 O ATOM 454 NE2 GLN A 36 0.349 -7.575 0.183 1.00 0.00 N ATOM 0 H GLN A 36 -2.926 -2.973 2.613 1.00 0.00 H new ATOM 0 HA GLN A 36 -1.072 -2.803 0.330 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -0.606 -4.463 2.082 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -2.233 -5.103 1.957 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -1.770 -5.598 -0.504 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -0.106 -5.121 -0.235 1.00 0.00 H new ATOM 0 HE21 GLN A 36 0.869 -7.123 -0.569 1.00 0.00 H new ATOM 0 HE22 GLN A 36 0.607 -8.513 0.489 1.00 0.00 H new ATOM 463 N CYS A 37 -2.806 -2.978 -1.422 1.00 0.00 N ATOM 464 CA CYS A 37 -3.773 -3.117 -2.492 1.00 0.00 C ATOM 465 C CYS A 37 -3.301 -4.179 -3.476 1.00 0.00 C ATOM 466 O CYS A 37 -2.116 -4.498 -3.526 1.00 0.00 O ATOM 467 CB CYS A 37 -3.954 -1.773 -3.192 1.00 0.00 C ATOM 468 SG CYS A 37 -5.326 -0.786 -2.544 1.00 0.00 S ATOM 0 H CYS A 37 -1.977 -2.439 -1.673 1.00 0.00 H new ATOM 0 HA CYS A 37 -4.734 -3.429 -2.082 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -3.032 -1.199 -3.100 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -4.116 -1.948 -4.256 1.00 0.00 H new ATOM 473 N ALA A 38 -4.234 -4.724 -4.261 1.00 0.00 N ATOM 474 CA ALA A 38 -3.910 -5.746 -5.236 1.00 0.00 C ATOM 475 C ALA A 38 -4.856 -5.643 -6.424 1.00 0.00 C ATOM 476 O ALA A 38 -6.043 -5.374 -6.252 1.00 0.00 O ATOM 477 CB ALA A 38 -4.009 -7.121 -4.583 1.00 0.00 C ATOM 0 H ALA A 38 -5.221 -4.467 -4.233 1.00 0.00 H new ATOM 0 HA ALA A 38 -2.891 -5.602 -5.595 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -3.765 -7.890 -5.316 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -3.309 -7.179 -3.750 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -5.023 -7.277 -4.216 1.00 0.00 H new ATOM 483 N TRP A 39 -4.328 -5.856 -7.631 1.00 0.00 N ATOM 484 CA TRP A 39 -5.131 -5.786 -8.836 1.00 0.00 C ATOM 485 C TRP A 39 -6.197 -6.873 -8.812 1.00 0.00 C ATOM 486 O TRP A 39 -5.878 -8.057 -8.720 1.00 0.00 O ATOM 487 CB TRP A 39 -4.229 -5.940 -10.057 1.00 0.00 C ATOM 488 CG TRP A 39 -4.904 -6.488 -11.273 1.00 0.00 C ATOM 489 CD1 TRP A 39 -6.220 -6.373 -11.554 1.00 0.00 C ATOM 490 CD2 TRP A 39 -4.323 -7.239 -12.383 1.00 0.00 C ATOM 491 NE1 TRP A 39 -6.492 -6.997 -12.754 1.00 0.00 N ATOM 492 CE2 TRP A 39 -5.356 -7.549 -13.309 1.00 0.00 C ATOM 493 CE3 TRP A 39 -3.030 -7.689 -12.702 1.00 0.00 C ATOM 494 CZ2 TRP A 39 -5.120 -8.266 -14.485 1.00 0.00 C ATOM 495 CZ3 TRP A 39 -2.783 -8.409 -13.880 1.00 0.00 C ATOM 496 CH2 TRP A 39 -3.823 -8.699 -14.772 1.00 0.00 C ATOM 0 H TRP A 39 -3.346 -6.078 -7.792 1.00 0.00 H new ATOM 0 HA TRP A 39 -5.630 -4.818 -8.888 1.00 0.00 H new ATOM 0 HB2 TRP A 39 -3.805 -4.966 -10.302 1.00 0.00 H new ATOM 0 HB3 TRP A 39 -3.397 -6.594 -9.796 1.00 0.00 H new ATOM 0 HD1 TRP A 39 -6.948 -5.870 -10.934 1.00 0.00 H new ATOM 0 HE1 TRP A 39 -7.418 -7.044 -13.178 1.00 0.00 H new ATOM 0 HE3 TRP A 39 -2.213 -7.477 -12.028 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 -5.931 -8.483 -15.164 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 -1.780 -8.743 -14.102 1.00 0.00 H new ATOM 0 HH2 TRP A 39 -3.624 -9.254 -15.677 1.00 0.00 H new ATOM 507 N VAL A 40 -7.466 -6.468 -8.896 1.00 0.00 N ATOM 508 CA VAL A 40 -8.571 -7.405 -8.884 1.00 0.00 C ATOM 509 C VAL A 40 -9.212 -7.463 -10.263 1.00 0.00 C ATOM 510 O VAL A 40 -9.644 -8.526 -10.704 1.00 0.00 O ATOM 511 CB VAL A 40 -9.589 -6.977 -7.831 1.00 0.00 C ATOM 512 CG1 VAL A 40 -10.993 -7.046 -8.424 1.00 0.00 C ATOM 513 CG2 VAL A 40 -9.499 -7.910 -6.627 1.00 0.00 C ATOM 0 H VAL A 40 -7.746 -5.490 -8.973 1.00 0.00 H new ATOM 0 HA VAL A 40 -8.206 -8.401 -8.633 1.00 0.00 H new ATOM 0 HB VAL A 40 -9.377 -5.955 -7.515 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -11.721 -6.740 -7.672 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -11.058 -6.379 -9.284 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -11.205 -8.068 -8.740 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -10.226 -7.604 -5.875 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -9.710 -8.932 -6.942 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -8.496 -7.861 -6.203 1.00 0.00 H new ATOM 523 N ASP A 41 -9.272 -6.317 -10.944 1.00 0.00 N ATOM 524 CA ASP A 41 -9.859 -6.244 -12.267 1.00 0.00 C ATOM 525 C ASP A 41 -9.274 -5.061 -13.025 1.00 0.00 C ATOM 526 O ASP A 41 -8.377 -4.385 -12.527 1.00 0.00 O ATOM 527 CB ASP A 41 -11.374 -6.110 -12.143 1.00 0.00 C ATOM 528 CG ASP A 41 -12.082 -6.944 -13.202 1.00 0.00 C ATOM 529 OD1 ASP A 41 -12.065 -6.506 -14.373 1.00 0.00 O ATOM 530 OD2 ASP A 41 -12.626 -8.003 -12.821 1.00 0.00 O ATOM 0 H ASP A 41 -8.917 -5.428 -10.592 1.00 0.00 H new ATOM 0 HA ASP A 41 -9.632 -7.155 -12.821 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -11.691 -6.430 -11.150 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -11.660 -5.063 -12.247 1.00 0.00 H new ATOM 535 N THR A 42 -9.783 -4.812 -14.234 1.00 0.00 N ATOM 536 CA THR A 42 -9.306 -3.713 -15.049 1.00 0.00 C ATOM 537 C THR A 42 -9.810 -2.392 -14.485 1.00 0.00 C ATOM 538 O THR A 42 -11.002 -2.102 -14.548 1.00 0.00 O ATOM 539 CB THR A 42 -9.782 -3.904 -16.486 1.00 0.00 C ATOM 540 OG1 THR A 42 -9.346 -2.818 -17.273 1.00 0.00 O ATOM 541 CG2 THR A 42 -11.306 -3.972 -16.513 1.00 0.00 C ATOM 0 H THR A 42 -10.527 -5.363 -14.663 1.00 0.00 H new ATOM 0 HA THR A 42 -8.216 -3.695 -15.039 1.00 0.00 H new ATOM 0 HB THR A 42 -9.370 -4.831 -16.885 1.00 0.00 H new ATOM 0 HG1 THR A 42 -9.650 -2.940 -18.197 1.00 0.00 H new ATOM 0 HG21 THR A 42 -11.646 -4.108 -17.540 1.00 0.00 H new ATOM 0 HG22 THR A 42 -11.644 -4.811 -15.904 1.00 0.00 H new ATOM 0 HG23 THR A 42 -11.719 -3.045 -16.114 1.00 0.00 H new ATOM 549 N GLY A 43 -8.897 -1.590 -13.932 1.00 0.00 N ATOM 550 CA GLY A 43 -9.256 -0.307 -13.362 1.00 0.00 C ATOM 551 C GLY A 43 -9.932 -0.501 -12.012 1.00 0.00 C ATOM 552 O GLY A 43 -10.520 0.432 -11.470 1.00 0.00 O ATOM 0 H GLY A 43 -7.904 -1.815 -13.871 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -8.365 0.309 -13.245 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -9.925 0.225 -14.038 1.00 0.00 H new ATOM 556 N VAL A 44 -9.846 -1.718 -11.470 1.00 0.00 N ATOM 557 CA VAL A 44 -10.448 -2.029 -10.189 1.00 0.00 C ATOM 558 C VAL A 44 -9.418 -2.689 -9.283 1.00 0.00 C ATOM 559 O VAL A 44 -8.868 -3.734 -9.623 1.00 0.00 O ATOM 560 CB VAL A 44 -11.649 -2.946 -10.401 1.00 0.00 C ATOM 561 CG1 VAL A 44 -12.080 -2.889 -11.863 1.00 0.00 C ATOM 562 CG2 VAL A 44 -11.265 -4.378 -10.039 1.00 0.00 C ATOM 0 H VAL A 44 -9.361 -2.502 -11.907 1.00 0.00 H new ATOM 0 HA VAL A 44 -10.789 -1.111 -9.710 1.00 0.00 H new ATOM 0 HB VAL A 44 -12.473 -2.619 -9.766 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -12.938 -3.544 -12.015 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -12.354 -1.866 -12.122 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -11.257 -3.216 -12.498 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -12.122 -5.034 -10.190 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -10.441 -4.705 -10.674 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -10.957 -4.419 -8.994 1.00 0.00 H new ATOM 572 N LEU A 45 -9.158 -2.076 -8.126 1.00 0.00 N ATOM 573 CA LEU A 45 -8.197 -2.606 -7.178 1.00 0.00 C ATOM 574 C LEU A 45 -8.912 -3.041 -5.907 1.00 0.00 C ATOM 575 O LEU A 45 -10.046 -2.636 -5.660 1.00 0.00 O ATOM 576 CB LEU A 45 -7.147 -1.542 -6.870 1.00 0.00 C ATOM 577 CG LEU A 45 -5.889 -1.819 -7.689 1.00 0.00 C ATOM 578 CD1 LEU A 45 -5.187 -0.501 -8.004 1.00 0.00 C ATOM 579 CD2 LEU A 45 -4.950 -2.717 -6.889 1.00 0.00 C ATOM 0 H LEU A 45 -9.606 -1.209 -7.829 1.00 0.00 H new ATOM 0 HA LEU A 45 -7.699 -3.476 -7.607 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -7.537 -0.552 -7.106 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -6.910 -1.546 -5.806 1.00 0.00 H new ATOM 0 HG LEU A 45 -6.163 -2.316 -8.620 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -4.289 -0.698 -8.589 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -5.858 0.141 -8.575 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -4.913 -0.004 -7.074 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -4.051 -2.916 -7.473 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -4.676 -2.220 -5.959 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -5.451 -3.658 -6.663 1.00 0.00 H new ATOM 591 N ALA A 46 -8.246 -3.870 -5.100 1.00 0.00 N ATOM 592 CA ALA A 46 -8.819 -4.356 -3.861 1.00 0.00 C ATOM 593 C ALA A 46 -7.812 -4.199 -2.730 1.00 0.00 C ATOM 594 O ALA A 46 -6.656 -4.592 -2.867 1.00 0.00 O ATOM 595 CB ALA A 46 -9.222 -5.818 -4.027 1.00 0.00 C ATOM 0 H ALA A 46 -7.305 -4.215 -5.291 1.00 0.00 H new ATOM 0 HA ALA A 46 -9.707 -3.774 -3.614 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -9.653 -6.185 -3.095 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -9.958 -5.904 -4.826 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -8.343 -6.411 -4.278 1.00 0.00 H new ATOM 601 N CYS A 47 -8.255 -3.621 -1.611 1.00 0.00 N ATOM 602 CA CYS A 47 -7.393 -3.414 -0.464 1.00 0.00 C ATOM 603 C CYS A 47 -7.776 -4.381 0.648 1.00 0.00 C ATOM 604 O CYS A 47 -8.913 -4.842 0.707 1.00 0.00 O ATOM 605 CB CYS A 47 -7.516 -1.969 0.009 1.00 0.00 C ATOM 606 SG CYS A 47 -6.187 -0.888 -0.576 1.00 0.00 S ATOM 0 H CYS A 47 -9.211 -3.290 -1.483 1.00 0.00 H new ATOM 0 HA CYS A 47 -6.356 -3.603 -0.743 1.00 0.00 H new ATOM 0 HB2 CYS A 47 -8.472 -1.567 -0.327 1.00 0.00 H new ATOM 0 HB3 CYS A 47 -7.530 -1.954 1.099 1.00 0.00 H new ATOM 611 N ASN A 48 -6.822 -4.686 1.530 1.00 0.00 N ATOM 612 CA ASN A 48 -7.066 -5.594 2.633 1.00 0.00 C ATOM 613 C ASN A 48 -6.859 -4.871 3.956 1.00 0.00 C ATOM 614 O ASN A 48 -5.770 -4.372 4.231 1.00 0.00 O ATOM 615 CB ASN A 48 -6.127 -6.792 2.520 1.00 0.00 C ATOM 616 CG ASN A 48 -4.819 -6.528 3.252 1.00 0.00 C ATOM 617 OD1 ASN A 48 -4.116 -5.568 2.944 1.00 0.00 O ATOM 618 ND2 ASN A 48 -4.494 -7.382 4.225 1.00 0.00 N ATOM 0 H ASN A 48 -5.874 -4.312 1.494 1.00 0.00 H new ATOM 0 HA ASN A 48 -8.096 -5.949 2.595 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -6.609 -7.677 2.936 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -5.925 -7.003 1.470 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -3.629 -7.252 4.750 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -5.111 -8.164 4.444 1.00 0.00 H new ATOM 625 N PRO A 49 -7.911 -4.815 4.777 1.00 0.00 N ATOM 626 CA PRO A 49 -7.900 -4.173 6.074 1.00 0.00 C ATOM 627 C PRO A 49 -7.091 -5.011 7.052 1.00 0.00 C ATOM 628 O PRO A 49 -6.979 -4.664 8.226 1.00 0.00 O ATOM 629 CB PRO A 49 -9.368 -4.109 6.491 1.00 0.00 C ATOM 630 CG PRO A 49 -9.968 -5.337 5.808 1.00 0.00 C ATOM 631 CD PRO A 49 -9.206 -5.391 4.485 1.00 0.00 C ATOM 0 HA PRO A 49 -7.446 -3.182 6.053 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -9.483 -4.152 7.574 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -9.844 -3.187 6.156 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -9.820 -6.241 6.398 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -11.042 -5.230 5.653 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -9.111 -6.416 4.126 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -9.723 -4.828 3.708 1.00 0.00 H new ATOM 639 N ALA A 50 -6.527 -6.120 6.567 1.00 0.00 N ATOM 640 CA ALA A 50 -5.735 -7.002 7.399 1.00 0.00 C ATOM 641 C ALA A 50 -4.303 -6.491 7.476 1.00 0.00 C ATOM 642 O ALA A 50 -3.590 -6.779 8.435 1.00 0.00 O ATOM 643 CB ALA A 50 -5.775 -8.415 6.824 1.00 0.00 C ATOM 0 H ALA A 50 -6.610 -6.421 5.596 1.00 0.00 H new ATOM 0 HA ALA A 50 -6.147 -7.023 8.408 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -5.179 -9.079 7.450 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -6.806 -8.768 6.798 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -5.369 -8.408 5.813 1.00 0.00 H new ATOM 649 N ASP A 51 -3.884 -5.731 6.463 1.00 0.00 N ATOM 650 CA ASP A 51 -2.542 -5.186 6.420 1.00 0.00 C ATOM 651 C ASP A 51 -2.605 -3.671 6.291 1.00 0.00 C ATOM 652 O ASP A 51 -1.721 -3.060 5.694 1.00 0.00 O ATOM 653 CB ASP A 51 -1.782 -5.798 5.247 1.00 0.00 C ATOM 654 CG ASP A 51 -1.417 -7.248 5.532 1.00 0.00 C ATOM 655 OD1 ASP A 51 -1.607 -7.662 6.696 1.00 0.00 O ATOM 656 OD2 ASP A 51 -0.955 -7.915 4.581 1.00 0.00 O ATOM 0 H ASP A 51 -4.464 -5.483 5.662 1.00 0.00 H new ATOM 0 HA ASP A 51 -2.016 -5.431 7.343 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -2.392 -5.743 4.345 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -0.877 -5.222 5.055 1.00 0.00 H new ATOM 661 N PHE A 52 -3.653 -3.065 6.853 1.00 0.00 N ATOM 662 CA PHE A 52 -3.823 -1.627 6.796 1.00 0.00 C ATOM 663 C PHE A 52 -3.353 -0.999 8.100 1.00 0.00 C ATOM 664 O PHE A 52 -3.909 -1.277 9.161 1.00 0.00 O ATOM 665 CB PHE A 52 -5.291 -1.299 6.535 1.00 0.00 C ATOM 666 CG PHE A 52 -5.977 -0.636 7.705 1.00 0.00 C ATOM 667 CD1 PHE A 52 -5.503 0.587 8.194 1.00 0.00 C ATOM 668 CD2 PHE A 52 -7.087 -1.246 8.304 1.00 0.00 C ATOM 669 CE1 PHE A 52 -6.138 1.201 9.280 1.00 0.00 C ATOM 670 CE2 PHE A 52 -7.722 -0.632 9.390 1.00 0.00 C ATOM 671 CZ PHE A 52 -7.247 0.591 9.878 1.00 0.00 C ATOM 0 H PHE A 52 -4.394 -3.557 7.352 1.00 0.00 H new ATOM 0 HA PHE A 52 -3.223 -1.218 5.983 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -5.360 -0.645 5.665 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -5.822 -2.218 6.286 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -4.647 1.057 7.733 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -7.453 -2.190 7.928 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -5.772 2.145 9.656 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -8.578 -1.102 9.851 1.00 0.00 H new ATOM 0 HZ PHE A 52 -7.736 1.064 10.716 1.00 0.00 H new ATOM 681 N SER A 53 -2.326 -0.150 8.020 1.00 0.00 N ATOM 682 CA SER A 53 -1.789 0.511 9.193 1.00 0.00 C ATOM 683 C SER A 53 -2.107 1.999 9.137 1.00 0.00 C ATOM 684 O SER A 53 -2.766 2.461 8.208 1.00 0.00 O ATOM 685 CB SER A 53 -0.282 0.282 9.259 1.00 0.00 C ATOM 686 OG SER A 53 0.229 0.862 10.439 1.00 0.00 O ATOM 0 H SER A 53 -1.854 0.091 7.148 1.00 0.00 H new ATOM 0 HA SER A 53 -2.246 0.096 10.091 1.00 0.00 H new ATOM 0 HB2 SER A 53 -0.064 -0.786 9.242 1.00 0.00 H new ATOM 0 HB3 SER A 53 0.202 0.720 8.386 1.00 0.00 H new ATOM 0 HG SER A 53 1.197 0.714 10.484 1.00 0.00 H new ATOM 692 N SER A 54 -1.636 2.749 10.136 1.00 0.00 N ATOM 693 CA SER A 54 -1.871 4.178 10.194 1.00 0.00 C ATOM 694 C SER A 54 -0.695 4.867 10.872 1.00 0.00 C ATOM 695 O SER A 54 0.005 4.257 11.678 1.00 0.00 O ATOM 696 CB SER A 54 -3.167 4.449 10.952 1.00 0.00 C ATOM 697 OG SER A 54 -2.886 4.594 12.326 1.00 0.00 O ATOM 0 H SER A 54 -1.089 2.381 10.914 1.00 0.00 H new ATOM 0 HA SER A 54 -1.966 4.576 9.184 1.00 0.00 H new ATOM 0 HB2 SER A 54 -3.642 5.352 10.570 1.00 0.00 H new ATOM 0 HB3 SER A 54 -3.869 3.630 10.798 1.00 0.00 H new ATOM 0 HG SER A 54 -3.718 4.770 12.813 1.00 0.00 H new ATOM 703 N VAL A 55 -0.480 6.143 10.544 1.00 0.00 N ATOM 704 CA VAL A 55 0.606 6.909 11.122 1.00 0.00 C ATOM 705 C VAL A 55 0.421 8.385 10.804 1.00 0.00 C ATOM 706 O VAL A 55 -0.322 8.737 9.891 1.00 0.00 O ATOM 707 CB VAL A 55 1.935 6.399 10.572 1.00 0.00 C ATOM 708 CG1 VAL A 55 1.872 6.354 9.048 1.00 0.00 C ATOM 709 CG2 VAL A 55 3.058 7.337 11.006 1.00 0.00 C ATOM 0 H VAL A 55 -1.051 6.662 9.877 1.00 0.00 H new ATOM 0 HA VAL A 55 0.606 6.789 12.205 1.00 0.00 H new ATOM 0 HB VAL A 55 2.127 5.398 10.958 1.00 0.00 H new ATOM 0 HG11 VAL A 55 2.821 5.990 8.655 1.00 0.00 H new ATOM 0 HG12 VAL A 55 1.070 5.685 8.737 1.00 0.00 H new ATOM 0 HG13 VAL A 55 1.680 7.355 8.662 1.00 0.00 H new ATOM 0 HG21 VAL A 55 4.008 6.974 10.614 1.00 0.00 H new ATOM 0 HG22 VAL A 55 2.865 8.338 10.620 1.00 0.00 H new ATOM 0 HG23 VAL A 55 3.104 7.370 12.095 1.00 0.00 H new ATOM 719 N THR A 56 1.101 9.251 11.560 1.00 0.00 N ATOM 720 CA THR A 56 1.006 10.682 11.351 1.00 0.00 C ATOM 721 C THR A 56 2.397 11.275 11.182 1.00 0.00 C ATOM 722 O THR A 56 3.295 10.993 11.972 1.00 0.00 O ATOM 723 CB THR A 56 0.286 11.321 12.535 1.00 0.00 C ATOM 724 OG1 THR A 56 -0.966 10.699 12.715 1.00 0.00 O ATOM 725 CG2 THR A 56 0.081 12.809 12.263 1.00 0.00 C ATOM 0 H THR A 56 1.722 8.977 12.321 1.00 0.00 H new ATOM 0 HA THR A 56 0.436 10.883 10.444 1.00 0.00 H new ATOM 0 HB THR A 56 0.886 11.196 13.436 1.00 0.00 H new ATOM 0 HG1 THR A 56 -1.428 11.108 13.476 1.00 0.00 H new ATOM 0 HG21 THR A 56 -0.433 13.266 13.108 1.00 0.00 H new ATOM 0 HG22 THR A 56 1.049 13.290 12.124 1.00 0.00 H new ATOM 0 HG23 THR A 56 -0.519 12.935 11.362 1.00 0.00 H new ATOM 733 N ALA A 57 2.573 12.099 10.146 1.00 0.00 N ATOM 734 CA ALA A 57 3.851 12.727 9.878 1.00 0.00 C ATOM 735 C ALA A 57 4.169 13.738 10.970 1.00 0.00 C ATOM 736 O ALA A 57 3.263 14.284 11.595 1.00 0.00 O ATOM 737 CB ALA A 57 3.808 13.403 8.510 1.00 0.00 C ATOM 0 H ALA A 57 1.838 12.342 9.482 1.00 0.00 H new ATOM 0 HA ALA A 57 4.637 11.972 9.871 1.00 0.00 H new ATOM 0 HB1 ALA A 57 4.769 13.876 8.307 1.00 0.00 H new ATOM 0 HB2 ALA A 57 3.601 12.658 7.742 1.00 0.00 H new ATOM 0 HB3 ALA A 57 3.023 14.159 8.502 1.00 0.00 H new ATOM 743 N ASP A 58 5.460 13.987 11.198 1.00 0.00 N ATOM 744 CA ASP A 58 5.889 14.929 12.213 1.00 0.00 C ATOM 745 C ASP A 58 6.017 16.318 11.604 1.00 0.00 C ATOM 746 O ASP A 58 5.539 16.560 10.498 1.00 0.00 O ATOM 747 CB ASP A 58 7.221 14.471 12.800 1.00 0.00 C ATOM 748 CG ASP A 58 8.322 14.513 11.750 1.00 0.00 C ATOM 749 OD1 ASP A 58 7.981 14.796 10.581 1.00 0.00 O ATOM 750 OD2 ASP A 58 9.484 14.260 12.135 1.00 0.00 O ATOM 0 H ASP A 58 6.223 13.543 10.687 1.00 0.00 H new ATOM 0 HA ASP A 58 5.150 14.971 13.013 1.00 0.00 H new ATOM 0 HB2 ASP A 58 7.491 15.110 13.641 1.00 0.00 H new ATOM 0 HB3 ASP A 58 7.122 13.457 13.188 1.00 0.00 H new ATOM 755 N ALA A 59 6.665 17.233 12.330 1.00 0.00 N ATOM 756 CA ALA A 59 6.850 18.591 11.860 1.00 0.00 C ATOM 757 C ALA A 59 7.689 18.586 10.590 1.00 0.00 C ATOM 758 O ALA A 59 7.530 19.456 9.736 1.00 0.00 O ATOM 759 CB ALA A 59 7.525 19.418 12.951 1.00 0.00 C ATOM 0 H ALA A 59 7.069 17.048 13.248 1.00 0.00 H new ATOM 0 HA ALA A 59 5.882 19.037 11.631 1.00 0.00 H new ATOM 0 HB1 ALA A 59 7.665 20.440 12.599 1.00 0.00 H new ATOM 0 HB2 ALA A 59 6.899 19.424 13.843 1.00 0.00 H new ATOM 0 HB3 ALA A 59 8.494 18.981 13.191 1.00 0.00 H new ATOM 765 N ASN A 60 8.583 17.603 10.466 1.00 0.00 N ATOM 766 CA ASN A 60 9.439 17.492 9.301 1.00 0.00 C ATOM 767 C ASN A 60 8.635 16.984 8.113 1.00 0.00 C ATOM 768 O ASN A 60 9.123 16.983 6.985 1.00 0.00 O ATOM 769 CB ASN A 60 10.598 16.550 9.612 1.00 0.00 C ATOM 770 CG ASN A 60 11.935 17.233 9.362 1.00 0.00 C ATOM 771 OD1 ASN A 60 12.393 18.023 10.185 1.00 0.00 O ATOM 772 ND2 ASN A 60 12.561 16.926 8.224 1.00 0.00 N ATOM 0 H ASN A 60 8.727 16.874 11.165 1.00 0.00 H new ATOM 0 HA ASN A 60 9.841 18.473 9.047 1.00 0.00 H new ATOM 0 HB2 ASN A 60 10.539 16.226 10.651 1.00 0.00 H new ATOM 0 HB3 ASN A 60 10.521 15.656 8.994 1.00 0.00 H new ATOM 0 HD21 ASN A 60 13.461 17.353 8.006 1.00 0.00 H new ATOM 0 HD22 ASN A 60 12.139 16.264 7.573 1.00 0.00 H new ATOM 779 N GLY A 61 7.398 16.551 8.368 1.00 0.00 N ATOM 780 CA GLY A 61 6.538 16.044 7.317 1.00 0.00 C ATOM 781 C GLY A 61 6.943 14.625 6.942 1.00 0.00 C ATOM 782 O GLY A 61 6.549 14.122 5.892 1.00 0.00 O ATOM 0 H GLY A 61 6.977 16.545 9.297 1.00 0.00 H new ATOM 0 HA2 GLY A 61 5.500 16.058 7.649 1.00 0.00 H new ATOM 0 HA3 GLY A 61 6.601 16.691 6.442 1.00 0.00 H new ATOM 786 N SER A 62 7.734 13.982 7.804 1.00 0.00 N ATOM 787 CA SER A 62 8.186 12.627 7.559 1.00 0.00 C ATOM 788 C SER A 62 7.413 11.657 8.440 1.00 0.00 C ATOM 789 O SER A 62 7.177 11.934 9.614 1.00 0.00 O ATOM 790 CB SER A 62 9.684 12.535 7.836 1.00 0.00 C ATOM 791 OG SER A 62 9.937 12.897 9.176 1.00 0.00 O ATOM 0 H SER A 62 8.071 14.386 8.678 1.00 0.00 H new ATOM 0 HA SER A 62 8.005 12.361 6.517 1.00 0.00 H new ATOM 0 HB2 SER A 62 10.038 11.521 7.649 1.00 0.00 H new ATOM 0 HB3 SER A 62 10.231 13.193 7.161 1.00 0.00 H new ATOM 0 HG SER A 62 10.899 12.837 9.355 1.00 0.00 H new ATOM 797 N ALA A 63 7.020 10.515 7.871 1.00 0.00 N ATOM 798 CA ALA A 63 6.277 9.510 8.605 1.00 0.00 C ATOM 799 C ALA A 63 7.046 8.197 8.603 1.00 0.00 C ATOM 800 O ALA A 63 7.994 8.032 7.839 1.00 0.00 O ATOM 801 CB ALA A 63 4.900 9.333 7.972 1.00 0.00 C ATOM 0 H ALA A 63 7.209 10.270 6.899 1.00 0.00 H new ATOM 0 HA ALA A 63 6.148 9.830 9.639 1.00 0.00 H new ATOM 0 HB1 ALA A 63 4.341 8.577 8.523 1.00 0.00 H new ATOM 0 HB2 ALA A 63 4.360 10.279 8.004 1.00 0.00 H new ATOM 0 HB3 ALA A 63 5.014 9.016 6.936 1.00 0.00 H new ATOM 807 N SER A 64 6.633 7.260 9.460 1.00 0.00 N ATOM 808 CA SER A 64 7.283 5.969 9.551 1.00 0.00 C ATOM 809 C SER A 64 6.279 4.915 9.996 1.00 0.00 C ATOM 810 O SER A 64 5.738 4.995 11.096 1.00 0.00 O ATOM 811 CB SER A 64 8.448 6.054 10.533 1.00 0.00 C ATOM 812 OG SER A 64 9.064 7.318 10.423 1.00 0.00 O ATOM 0 H SER A 64 5.847 7.381 10.099 1.00 0.00 H new ATOM 0 HA SER A 64 7.670 5.684 8.573 1.00 0.00 H new ATOM 0 HB2 SER A 64 8.091 5.899 11.551 1.00 0.00 H new ATOM 0 HB3 SER A 64 9.171 5.266 10.325 1.00 0.00 H new ATOM 0 HG SER A 64 9.811 7.374 11.055 1.00 0.00 H new ATOM 818 N THR A 65 6.031 3.923 9.137 1.00 0.00 N ATOM 819 CA THR A 65 5.096 2.862 9.449 1.00 0.00 C ATOM 820 C THR A 65 5.558 1.559 8.812 1.00 0.00 C ATOM 821 O THR A 65 6.320 1.573 7.848 1.00 0.00 O ATOM 822 CB THR A 65 3.706 3.245 8.949 1.00 0.00 C ATOM 823 OG1 THR A 65 2.808 3.278 10.035 1.00 0.00 O ATOM 824 CG2 THR A 65 3.231 2.216 7.927 1.00 0.00 C ATOM 0 H THR A 65 6.471 3.841 8.220 1.00 0.00 H new ATOM 0 HA THR A 65 5.053 2.719 10.529 1.00 0.00 H new ATOM 0 HB THR A 65 3.747 4.229 8.482 1.00 0.00 H new ATOM 0 HG1 THR A 65 1.916 3.526 9.714 1.00 0.00 H new ATOM 0 HG21 THR A 65 2.238 2.489 7.570 1.00 0.00 H new ATOM 0 HG22 THR A 65 3.925 2.191 7.087 1.00 0.00 H new ATOM 0 HG23 THR A 65 3.190 1.232 8.394 1.00 0.00 H new ATOM 832 N SER A 66 5.093 0.431 9.353 1.00 0.00 N ATOM 833 CA SER A 66 5.458 -0.872 8.835 1.00 0.00 C ATOM 834 C SER A 66 4.251 -1.523 8.176 1.00 0.00 C ATOM 835 O SER A 66 3.200 -1.662 8.798 1.00 0.00 O ATOM 836 CB SER A 66 5.988 -1.741 9.973 1.00 0.00 C ATOM 837 OG SER A 66 6.141 -0.953 11.132 1.00 0.00 O ATOM 0 H SER A 66 4.461 0.403 10.153 1.00 0.00 H new ATOM 0 HA SER A 66 6.241 -0.762 8.084 1.00 0.00 H new ATOM 0 HB2 SER A 66 5.300 -2.564 10.168 1.00 0.00 H new ATOM 0 HB3 SER A 66 6.944 -2.184 9.692 1.00 0.00 H new ATOM 0 HG SER A 66 6.480 -1.510 11.864 1.00 0.00 H new ATOM 843 N LEU A 67 4.403 -1.924 6.911 1.00 0.00 N ATOM 844 CA LEU A 67 3.328 -2.558 6.175 1.00 0.00 C ATOM 845 C LEU A 67 3.588 -4.054 6.068 1.00 0.00 C ATOM 846 O LEU A 67 4.733 -4.494 6.142 1.00 0.00 O ATOM 847 CB LEU A 67 3.220 -1.928 4.789 1.00 0.00 C ATOM 848 CG LEU A 67 1.752 -1.840 4.384 1.00 0.00 C ATOM 849 CD1 LEU A 67 1.298 -3.182 3.817 1.00 0.00 C ATOM 850 CD2 LEU A 67 0.907 -1.491 5.606 1.00 0.00 C ATOM 0 H LEU A 67 5.268 -1.816 6.381 1.00 0.00 H new ATOM 0 HA LEU A 67 2.385 -2.410 6.702 1.00 0.00 H new ATOM 0 HB2 LEU A 67 3.667 -0.934 4.794 1.00 0.00 H new ATOM 0 HB3 LEU A 67 3.774 -2.523 4.063 1.00 0.00 H new ATOM 0 HG LEU A 67 1.631 -1.067 3.626 1.00 0.00 H new ATOM 0 HD11 LEU A 67 0.249 -3.119 3.528 1.00 0.00 H new ATOM 0 HD12 LEU A 67 1.901 -3.431 2.944 1.00 0.00 H new ATOM 0 HD13 LEU A 67 1.419 -3.957 4.574 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -0.142 -1.428 5.317 1.00 0.00 H new ATOM 0 HD22 LEU A 67 1.028 -2.264 6.365 1.00 0.00 H new ATOM 0 HD23 LEU A 67 1.230 -0.532 6.010 1.00 0.00 H new ATOM 862 N THR A 68 2.520 -4.837 5.894 1.00 0.00 N ATOM 863 CA THR A 68 2.642 -6.276 5.778 1.00 0.00 C ATOM 864 C THR A 68 2.171 -6.727 4.403 1.00 0.00 C ATOM 865 O THR A 68 1.212 -6.180 3.862 1.00 0.00 O ATOM 866 CB THR A 68 1.822 -6.945 6.877 1.00 0.00 C ATOM 867 OG1 THR A 68 1.163 -8.074 6.349 1.00 0.00 O ATOM 868 CG2 THR A 68 0.790 -5.958 7.414 1.00 0.00 C ATOM 0 H THR A 68 1.563 -4.489 5.831 1.00 0.00 H new ATOM 0 HA THR A 68 3.686 -6.566 5.894 1.00 0.00 H new ATOM 0 HB THR A 68 2.483 -7.255 7.686 1.00 0.00 H new ATOM 0 HG1 THR A 68 1.736 -8.863 6.446 1.00 0.00 H new ATOM 0 HG21 THR A 68 0.204 -6.436 8.199 1.00 0.00 H new ATOM 0 HG22 THR A 68 1.299 -5.085 7.822 1.00 0.00 H new ATOM 0 HG23 THR A 68 0.128 -5.647 6.605 1.00 0.00 H new ATOM 876 N VAL A 69 2.848 -7.729 3.838 1.00 0.00 N ATOM 877 CA VAL A 69 2.498 -8.249 2.532 1.00 0.00 C ATOM 878 C VAL A 69 1.919 -9.649 2.674 1.00 0.00 C ATOM 879 O VAL A 69 2.550 -10.528 3.257 1.00 0.00 O ATOM 880 CB VAL A 69 3.737 -8.263 1.641 1.00 0.00 C ATOM 881 CG1 VAL A 69 4.982 -8.057 2.499 1.00 0.00 C ATOM 882 CG2 VAL A 69 3.831 -9.606 0.923 1.00 0.00 C ATOM 0 H VAL A 69 3.645 -8.193 4.274 1.00 0.00 H new ATOM 0 HA VAL A 69 1.744 -7.610 2.072 1.00 0.00 H new ATOM 0 HB VAL A 69 3.666 -7.462 0.906 1.00 0.00 H new ATOM 0 HG11 VAL A 69 5.868 -8.067 1.864 1.00 0.00 H new ATOM 0 HG12 VAL A 69 4.915 -7.098 3.013 1.00 0.00 H new ATOM 0 HG13 VAL A 69 5.054 -8.859 3.234 1.00 0.00 H new ATOM 0 HG21 VAL A 69 4.716 -9.617 0.286 1.00 0.00 H new ATOM 0 HG22 VAL A 69 3.903 -10.407 1.658 1.00 0.00 H new ATOM 0 HG23 VAL A 69 2.941 -9.754 0.311 1.00 0.00 H new ATOM 892 N ARG A 70 0.714 -9.856 2.138 1.00 0.00 N ATOM 893 CA ARG A 70 0.057 -11.146 2.208 1.00 0.00 C ATOM 894 C ARG A 70 0.016 -11.779 0.824 1.00 0.00 C ATOM 895 O ARG A 70 0.149 -11.087 -0.182 1.00 0.00 O ATOM 896 CB ARG A 70 -1.354 -10.967 2.761 1.00 0.00 C ATOM 897 CG ARG A 70 -1.359 -11.285 4.254 1.00 0.00 C ATOM 898 CD ARG A 70 -0.080 -10.749 4.892 1.00 0.00 C ATOM 899 NE ARG A 70 -0.273 -10.495 6.320 1.00 0.00 N ATOM 900 CZ ARG A 70 -0.436 -11.478 7.217 1.00 0.00 C ATOM 901 NH1 ARG A 70 -0.426 -12.757 6.818 1.00 0.00 N ATOM 902 NH2 ARG A 70 -0.610 -11.181 8.512 1.00 0.00 N ATOM 0 H ARG A 70 0.178 -9.138 1.650 1.00 0.00 H new ATOM 0 HA ARG A 70 0.614 -11.807 2.873 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -1.694 -9.945 2.595 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -2.048 -11.623 2.236 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -2.231 -10.836 4.729 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -1.431 -12.362 4.407 1.00 0.00 H new ATOM 0 HD2 ARG A 70 0.729 -11.467 4.753 1.00 0.00 H new ATOM 0 HD3 ARG A 70 0.221 -9.828 4.393 1.00 0.00 H new ATOM 0 HE ARG A 70 -0.284 -9.529 6.647 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -0.294 -12.983 5.832 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -0.550 -13.505 7.500 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -0.618 -10.207 8.815 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -0.734 -11.929 9.195 1.00 0.00 H new ATOM 916 N ARG A 71 -0.168 -13.101 0.777 1.00 0.00 N ATOM 917 CA ARG A 71 -0.224 -13.820 -0.480 1.00 0.00 C ATOM 918 C ARG A 71 -1.568 -13.579 -1.152 1.00 0.00 C ATOM 919 O ARG A 71 -1.665 -13.606 -2.377 1.00 0.00 O ATOM 920 CB ARG A 71 -0.008 -15.309 -0.223 1.00 0.00 C ATOM 921 CG ARG A 71 0.724 -15.929 -1.410 1.00 0.00 C ATOM 922 CD ARG A 71 0.133 -17.304 -1.709 1.00 0.00 C ATOM 923 NE ARG A 71 1.034 -18.370 -1.272 1.00 0.00 N ATOM 924 CZ ARG A 71 0.710 -19.668 -1.340 1.00 0.00 C ATOM 925 NH1 ARG A 71 -0.484 -20.036 -1.825 1.00 0.00 N ATOM 926 NH2 ARG A 71 1.579 -20.599 -0.922 1.00 0.00 N ATOM 0 H ARG A 71 -0.280 -13.689 1.603 1.00 0.00 H new ATOM 0 HA ARG A 71 0.562 -13.461 -1.144 1.00 0.00 H new ATOM 0 HB2 ARG A 71 0.571 -15.451 0.690 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -0.966 -15.806 -0.073 1.00 0.00 H new ATOM 0 HG2 ARG A 71 0.633 -15.284 -2.284 1.00 0.00 H new ATOM 0 HG3 ARG A 71 1.788 -16.019 -1.189 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -0.829 -17.407 -1.206 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -0.055 -17.398 -2.779 1.00 0.00 H new ATOM 0 HE ARG A 71 1.948 -18.114 -0.899 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -1.146 -19.328 -2.142 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -0.731 -21.024 -1.877 1.00 0.00 H new ATOM 0 HH21 ARG A 71 2.487 -20.319 -0.552 1.00 0.00 H new ATOM 0 HH22 ARG A 71 1.332 -21.587 -0.974 1.00 0.00 H new ATOM 940 N SER A 72 -2.606 -13.343 -0.348 1.00 0.00 N ATOM 941 CA SER A 72 -3.936 -13.098 -0.869 1.00 0.00 C ATOM 942 C SER A 72 -4.819 -12.511 0.223 1.00 0.00 C ATOM 943 O SER A 72 -4.548 -12.692 1.408 1.00 0.00 O ATOM 944 CB SER A 72 -4.524 -14.404 -1.396 1.00 0.00 C ATOM 945 OG SER A 72 -4.543 -15.361 -0.361 1.00 0.00 O ATOM 0 H SER A 72 -2.542 -13.318 0.670 1.00 0.00 H new ATOM 0 HA SER A 72 -3.883 -12.382 -1.689 1.00 0.00 H new ATOM 0 HB2 SER A 72 -5.534 -14.236 -1.769 1.00 0.00 H new ATOM 0 HB3 SER A 72 -3.931 -14.770 -2.234 1.00 0.00 H new ATOM 0 HG SER A 72 -4.922 -16.200 -0.698 1.00 0.00 H new ATOM 951 N PHE A 73 -5.879 -11.805 -0.178 1.00 0.00 N ATOM 952 CA PHE A 73 -6.794 -11.199 0.767 1.00 0.00 C ATOM 953 C PHE A 73 -7.960 -10.563 0.023 1.00 0.00 C ATOM 954 O PHE A 73 -7.910 -10.408 -1.196 1.00 0.00 O ATOM 955 CB PHE A 73 -6.049 -10.157 1.597 1.00 0.00 C ATOM 956 CG PHE A 73 -5.091 -9.315 0.789 1.00 0.00 C ATOM 957 CD1 PHE A 73 -5.584 -8.388 -0.138 1.00 0.00 C ATOM 958 CD2 PHE A 73 -3.710 -9.462 0.964 1.00 0.00 C ATOM 959 CE1 PHE A 73 -4.697 -7.609 -0.889 1.00 0.00 C ATOM 960 CE2 PHE A 73 -2.822 -8.683 0.213 1.00 0.00 C ATOM 961 CZ PHE A 73 -3.316 -7.756 -0.714 1.00 0.00 C ATOM 0 H PHE A 73 -6.118 -11.644 -1.157 1.00 0.00 H new ATOM 0 HA PHE A 73 -7.190 -11.963 1.436 1.00 0.00 H new ATOM 0 HB2 PHE A 73 -6.775 -9.504 2.081 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -5.497 -10.662 2.389 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -6.649 -8.274 -0.273 1.00 0.00 H new ATOM 0 HD2 PHE A 73 -3.329 -10.177 1.679 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -5.078 -6.894 -1.604 1.00 0.00 H new ATOM 0 HE2 PHE A 73 -1.757 -8.797 0.348 1.00 0.00 H new ATOM 0 HZ PHE A 73 -2.631 -7.155 -1.294 1.00 0.00 H new ATOM 971 N GLU A 74 -9.011 -10.195 0.758 1.00 0.00 N ATOM 972 CA GLU A 74 -10.180 -9.578 0.162 1.00 0.00 C ATOM 973 C GLU A 74 -9.804 -8.235 -0.447 1.00 0.00 C ATOM 974 O GLU A 74 -9.358 -7.333 0.259 1.00 0.00 O ATOM 975 CB GLU A 74 -11.260 -9.407 1.226 1.00 0.00 C ATOM 976 CG GLU A 74 -10.679 -8.666 2.427 1.00 0.00 C ATOM 977 CD GLU A 74 -11.008 -9.392 3.724 1.00 0.00 C ATOM 978 OE1 GLU A 74 -10.983 -10.641 3.697 1.00 0.00 O ATOM 979 OE2 GLU A 74 -11.278 -8.683 4.718 1.00 0.00 O ATOM 0 H GLU A 74 -9.069 -10.317 1.769 1.00 0.00 H new ATOM 0 HA GLU A 74 -10.567 -10.216 -0.632 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -12.104 -8.852 0.817 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -11.639 -10.381 1.535 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -9.598 -8.580 2.318 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -11.078 -7.652 2.462 1.00 0.00 H new ATOM 986 N GLY A 75 -9.987 -8.102 -1.763 1.00 0.00 N ATOM 987 CA GLY A 75 -9.666 -6.870 -2.455 1.00 0.00 C ATOM 988 C GLY A 75 -10.721 -5.811 -2.163 1.00 0.00 C ATOM 989 O GLY A 75 -11.667 -5.646 -2.930 1.00 0.00 O ATOM 0 H GLY A 75 -10.357 -8.839 -2.364 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -8.685 -6.513 -2.141 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -9.610 -7.051 -3.528 1.00 0.00 H new ATOM 993 N PHE A 76 -10.556 -5.093 -1.050 1.00 0.00 N ATOM 994 CA PHE A 76 -11.493 -4.057 -0.665 1.00 0.00 C ATOM 995 C PHE A 76 -11.164 -2.765 -1.398 1.00 0.00 C ATOM 996 O PHE A 76 -10.274 -2.025 -0.987 1.00 0.00 O ATOM 997 CB PHE A 76 -11.431 -3.853 0.847 1.00 0.00 C ATOM 998 CG PHE A 76 -12.687 -4.285 1.565 1.00 0.00 C ATOM 999 CD1 PHE A 76 -13.916 -3.700 1.240 1.00 0.00 C ATOM 1000 CD2 PHE A 76 -12.622 -5.273 2.555 1.00 0.00 C ATOM 1001 CE1 PHE A 76 -15.081 -4.102 1.905 1.00 0.00 C ATOM 1002 CE2 PHE A 76 -13.786 -5.676 3.220 1.00 0.00 C ATOM 1003 CZ PHE A 76 -15.016 -5.090 2.895 1.00 0.00 C ATOM 0 H PHE A 76 -9.777 -5.217 -0.403 1.00 0.00 H new ATOM 0 HA PHE A 76 -12.505 -4.357 -0.937 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -10.584 -4.410 1.246 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -11.247 -2.799 1.056 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -13.966 -2.938 0.476 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -11.673 -5.724 2.806 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -16.029 -3.650 1.654 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -13.736 -6.438 3.983 1.00 0.00 H new ATOM 0 HZ PHE A 76 -15.914 -5.400 3.408 1.00 0.00 H new ATOM 1013 N LEU A 77 -11.887 -2.494 -2.488 1.00 0.00 N ATOM 1014 CA LEU A 77 -11.669 -1.295 -3.272 1.00 0.00 C ATOM 1015 C LEU A 77 -11.765 -0.068 -2.376 1.00 0.00 C ATOM 1016 O LEU A 77 -12.679 0.039 -1.562 1.00 0.00 O ATOM 1017 CB LEU A 77 -12.701 -1.227 -4.393 1.00 0.00 C ATOM 1018 CG LEU A 77 -13.042 0.232 -4.683 1.00 0.00 C ATOM 1019 CD1 LEU A 77 -11.817 0.937 -5.259 1.00 0.00 C ATOM 1020 CD2 LEU A 77 -14.187 0.297 -5.690 1.00 0.00 C ATOM 0 H LEU A 77 -12.630 -3.097 -2.841 1.00 0.00 H new ATOM 0 HA LEU A 77 -10.673 -1.321 -3.714 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -12.310 -1.706 -5.291 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -13.601 -1.772 -4.107 1.00 0.00 H new ATOM 0 HG LEU A 77 -13.343 0.725 -3.758 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -12.061 1.979 -5.466 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -10.999 0.892 -4.540 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -11.515 0.445 -6.183 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -14.431 1.339 -5.897 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -13.887 -0.196 -6.615 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -15.062 -0.205 -5.278 1.00 0.00 H new ATOM 1032 N PHE A 78 -10.817 0.860 -2.528 1.00 0.00 N ATOM 1033 CA PHE A 78 -10.801 2.072 -1.733 1.00 0.00 C ATOM 1034 C PHE A 78 -12.199 2.673 -1.682 1.00 0.00 C ATOM 1035 O PHE A 78 -12.618 3.187 -0.647 1.00 0.00 O ATOM 1036 CB PHE A 78 -9.808 3.061 -2.336 1.00 0.00 C ATOM 1037 CG PHE A 78 -10.171 3.504 -3.734 1.00 0.00 C ATOM 1038 CD1 PHE A 78 -11.169 4.466 -3.925 1.00 0.00 C ATOM 1039 CD2 PHE A 78 -9.511 2.950 -4.837 1.00 0.00 C ATOM 1040 CE1 PHE A 78 -11.508 4.875 -5.221 1.00 0.00 C ATOM 1041 CE2 PHE A 78 -9.850 3.359 -6.133 1.00 0.00 C ATOM 1042 CZ PHE A 78 -10.848 4.322 -6.324 1.00 0.00 C ATOM 0 H PHE A 78 -10.052 0.787 -3.199 1.00 0.00 H new ATOM 0 HA PHE A 78 -10.489 1.841 -0.714 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -9.743 3.937 -1.691 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -8.818 2.605 -2.354 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -11.678 4.893 -3.073 1.00 0.00 H new ATOM 0 HD2 PHE A 78 -8.741 2.208 -4.689 1.00 0.00 H new ATOM 0 HE1 PHE A 78 -12.279 5.617 -5.369 1.00 0.00 H new ATOM 0 HE2 PHE A 78 -9.342 2.932 -6.985 1.00 0.00 H new ATOM 0 HZ PHE A 78 -11.109 4.638 -7.323 1.00 0.00 H new ATOM 1052 N ASP A 79 -12.920 2.609 -2.803 1.00 0.00 N ATOM 1053 CA ASP A 79 -14.263 3.147 -2.879 1.00 0.00 C ATOM 1054 C ASP A 79 -15.142 2.490 -1.825 1.00 0.00 C ATOM 1055 O ASP A 79 -16.210 3.002 -1.498 1.00 0.00 O ATOM 1056 CB ASP A 79 -14.827 2.909 -4.278 1.00 0.00 C ATOM 1057 CG ASP A 79 -15.677 4.088 -4.729 1.00 0.00 C ATOM 1058 OD1 ASP A 79 -16.769 4.257 -4.145 1.00 0.00 O ATOM 1059 OD2 ASP A 79 -15.219 4.798 -5.650 1.00 0.00 O ATOM 0 H ASP A 79 -12.587 2.186 -3.670 1.00 0.00 H new ATOM 0 HA ASP A 79 -14.241 4.220 -2.688 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -14.010 2.754 -4.982 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -15.428 2.000 -4.282 1.00 0.00 H new ATOM 1064 N GLY A 80 -14.691 1.353 -1.291 1.00 0.00 N ATOM 1065 CA GLY A 80 -15.441 0.637 -0.278 1.00 0.00 C ATOM 1066 C GLY A 80 -16.273 -0.465 -0.918 1.00 0.00 C ATOM 1067 O GLY A 80 -17.327 -0.831 -0.401 1.00 0.00 O ATOM 0 H GLY A 80 -13.807 0.914 -1.549 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -14.758 0.207 0.455 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -16.091 1.328 0.259 1.00 0.00 H new ATOM 1071 N THR A 81 -15.799 -0.994 -2.048 1.00 0.00 N ATOM 1072 CA THR A 81 -16.502 -2.050 -2.748 1.00 0.00 C ATOM 1073 C THR A 81 -15.699 -3.341 -2.683 1.00 0.00 C ATOM 1074 O THR A 81 -14.595 -3.416 -3.218 1.00 0.00 O ATOM 1075 CB THR A 81 -16.734 -1.630 -4.197 1.00 0.00 C ATOM 1076 OG1 THR A 81 -17.813 -0.724 -4.257 1.00 0.00 O ATOM 1077 CG2 THR A 81 -17.057 -2.862 -5.038 1.00 0.00 C ATOM 0 H THR A 81 -14.928 -0.702 -2.492 1.00 0.00 H new ATOM 0 HA THR A 81 -17.467 -2.225 -2.273 1.00 0.00 H new ATOM 0 HB THR A 81 -15.835 -1.151 -4.585 1.00 0.00 H new ATOM 0 HG1 THR A 81 -17.961 -0.453 -5.187 1.00 0.00 H new ATOM 0 HG21 THR A 81 -17.223 -2.563 -6.073 1.00 0.00 H new ATOM 0 HG22 THR A 81 -16.223 -3.563 -4.992 1.00 0.00 H new ATOM 0 HG23 THR A 81 -17.956 -3.342 -4.651 1.00 0.00 H new ATOM 1085 N ARG A 82 -16.257 -4.359 -2.024 1.00 0.00 N ATOM 1086 CA ARG A 82 -15.592 -5.639 -1.891 1.00 0.00 C ATOM 1087 C ARG A 82 -15.467 -6.300 -3.256 1.00 0.00 C ATOM 1088 O ARG A 82 -16.380 -6.993 -3.699 1.00 0.00 O ATOM 1089 CB ARG A 82 -16.384 -6.525 -0.933 1.00 0.00 C ATOM 1090 CG ARG A 82 -17.814 -6.676 -1.445 1.00 0.00 C ATOM 1091 CD ARG A 82 -18.779 -6.687 -0.263 1.00 0.00 C ATOM 1092 NE ARG A 82 -19.888 -7.612 -0.499 1.00 0.00 N ATOM 1093 CZ ARG A 82 -20.693 -8.044 0.481 1.00 0.00 C ATOM 1094 NH1 ARG A 82 -20.500 -7.628 1.740 1.00 0.00 N ATOM 1095 NH2 ARG A 82 -21.692 -8.894 0.203 1.00 0.00 N ATOM 0 H ARG A 82 -17.172 -4.312 -1.576 1.00 0.00 H new ATOM 0 HA ARG A 82 -14.590 -5.492 -1.487 1.00 0.00 H new ATOM 0 HB2 ARG A 82 -15.911 -7.503 -0.850 1.00 0.00 H new ATOM 0 HB3 ARG A 82 -16.388 -6.087 0.065 1.00 0.00 H new ATOM 0 HG2 ARG A 82 -18.058 -5.856 -2.120 1.00 0.00 H new ATOM 0 HG3 ARG A 82 -17.911 -7.599 -2.016 1.00 0.00 H new ATOM 0 HD2 ARG A 82 -18.246 -6.976 0.643 1.00 0.00 H new ATOM 0 HD3 ARG A 82 -19.168 -5.682 -0.097 1.00 0.00 H new ATOM 0 HE ARG A 82 -20.055 -7.942 -1.450 1.00 0.00 H new ATOM 0 HH11 ARG A 82 -19.740 -6.982 1.953 1.00 0.00 H new ATOM 0 HH12 ARG A 82 -21.113 -7.957 2.486 1.00 0.00 H new ATOM 0 HH21 ARG A 82 -21.839 -9.212 -0.755 1.00 0.00 H new ATOM 0 HH22 ARG A 82 -22.305 -9.223 0.949 1.00 0.00 H new ATOM 1109 N TRP A 83 -14.331 -6.084 -3.925 1.00 0.00 N ATOM 1110 CA TRP A 83 -14.097 -6.662 -5.233 1.00 0.00 C ATOM 1111 C TRP A 83 -14.069 -8.181 -5.131 1.00 0.00 C ATOM 1112 O TRP A 83 -14.851 -8.864 -5.788 1.00 0.00 O ATOM 1113 CB TRP A 83 -12.779 -6.134 -5.792 1.00 0.00 C ATOM 1114 CG TRP A 83 -12.780 -5.872 -7.264 1.00 0.00 C ATOM 1115 CD1 TRP A 83 -12.438 -6.767 -8.216 1.00 0.00 C ATOM 1116 CD2 TRP A 83 -13.134 -4.648 -7.977 1.00 0.00 C ATOM 1117 NE1 TRP A 83 -12.554 -6.185 -9.461 1.00 0.00 N ATOM 1118 CE2 TRP A 83 -12.981 -4.876 -9.371 1.00 0.00 C ATOM 1119 CE3 TRP A 83 -13.569 -3.368 -7.589 1.00 0.00 C ATOM 1120 CZ2 TRP A 83 -13.243 -3.891 -10.328 1.00 0.00 C ATOM 1121 CZ3 TRP A 83 -13.835 -2.372 -8.540 1.00 0.00 C ATOM 1122 CH2 TRP A 83 -13.673 -2.629 -9.906 1.00 0.00 C ATOM 0 H TRP A 83 -13.564 -5.511 -3.574 1.00 0.00 H new ATOM 0 HA TRP A 83 -14.904 -6.379 -5.909 1.00 0.00 H new ATOM 0 HB2 TRP A 83 -12.525 -5.210 -5.273 1.00 0.00 H new ATOM 0 HB3 TRP A 83 -11.991 -6.853 -5.566 1.00 0.00 H new ATOM 0 HD1 TRP A 83 -12.122 -7.783 -8.031 1.00 0.00 H new ATOM 0 HE1 TRP A 83 -12.350 -6.663 -10.339 1.00 0.00 H new ATOM 0 HE3 TRP A 83 -13.701 -3.148 -6.540 1.00 0.00 H new ATOM 0 HZ2 TRP A 83 -13.115 -4.102 -11.379 1.00 0.00 H new ATOM 0 HZ3 TRP A 83 -14.168 -1.397 -8.215 1.00 0.00 H new ATOM 0 HH2 TRP A 83 -13.879 -1.856 -10.631 1.00 0.00 H new ATOM 1133 N GLY A 84 -13.165 -8.709 -4.303 1.00 0.00 N ATOM 1134 CA GLY A 84 -13.043 -10.142 -4.123 1.00 0.00 C ATOM 1135 C GLY A 84 -11.619 -10.505 -3.728 1.00 0.00 C ATOM 1136 O GLY A 84 -10.729 -9.659 -3.757 1.00 0.00 O ATOM 0 H GLY A 84 -12.509 -8.158 -3.749 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -13.738 -10.479 -3.354 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -13.314 -10.656 -5.045 1.00 0.00 H new ATOM 1140 N THR A 85 -11.405 -11.770 -3.357 1.00 0.00 N ATOM 1141 CA THR A 85 -10.091 -12.234 -2.959 1.00 0.00 C ATOM 1142 C THR A 85 -9.103 -12.036 -4.100 1.00 0.00 C ATOM 1143 O THR A 85 -9.442 -12.251 -5.262 1.00 0.00 O ATOM 1144 CB THR A 85 -10.171 -13.705 -2.563 1.00 0.00 C ATOM 1145 OG1 THR A 85 -11.484 -14.009 -2.148 1.00 0.00 O ATOM 1146 CG2 THR A 85 -9.200 -13.978 -1.417 1.00 0.00 C ATOM 0 H THR A 85 -12.132 -12.485 -3.327 1.00 0.00 H new ATOM 0 HA THR A 85 -9.743 -11.658 -2.102 1.00 0.00 H new ATOM 0 HB THR A 85 -9.907 -14.326 -3.419 1.00 0.00 H new ATOM 0 HG1 THR A 85 -11.537 -14.954 -1.895 1.00 0.00 H new ATOM 0 HG21 THR A 85 -9.257 -15.029 -1.134 1.00 0.00 H new ATOM 0 HG22 THR A 85 -8.185 -13.743 -1.737 1.00 0.00 H new ATOM 0 HG23 THR A 85 -9.464 -13.357 -0.561 1.00 0.00 H new ATOM 1154 N VAL A 86 -7.878 -11.626 -3.765 1.00 0.00 N ATOM 1155 CA VAL A 86 -6.848 -11.402 -4.759 1.00 0.00 C ATOM 1156 C VAL A 86 -5.598 -12.189 -4.393 1.00 0.00 C ATOM 1157 O VAL A 86 -5.346 -12.445 -3.218 1.00 0.00 O ATOM 1158 CB VAL A 86 -6.541 -9.909 -4.845 1.00 0.00 C ATOM 1159 CG1 VAL A 86 -6.778 -9.262 -3.484 1.00 0.00 C ATOM 1160 CG2 VAL A 86 -5.085 -9.713 -5.256 1.00 0.00 C ATOM 0 H VAL A 86 -7.583 -11.444 -2.806 1.00 0.00 H new ATOM 0 HA VAL A 86 -7.197 -11.745 -5.733 1.00 0.00 H new ATOM 0 HB VAL A 86 -7.193 -9.445 -5.585 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -6.559 -8.196 -3.545 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -7.818 -9.403 -3.191 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -6.126 -9.725 -2.743 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -4.865 -8.647 -5.318 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -4.432 -10.176 -4.516 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -4.916 -10.175 -6.229 1.00 0.00 H new ATOM 1170 N ASP A 87 -4.815 -12.574 -5.403 1.00 0.00 N ATOM 1171 CA ASP A 87 -3.598 -13.329 -5.182 1.00 0.00 C ATOM 1172 C ASP A 87 -2.389 -12.461 -5.499 1.00 0.00 C ATOM 1173 O ASP A 87 -2.038 -12.284 -6.663 1.00 0.00 O ATOM 1174 CB ASP A 87 -3.611 -14.579 -6.057 1.00 0.00 C ATOM 1175 CG ASP A 87 -4.007 -15.806 -5.247 1.00 0.00 C ATOM 1176 OD1 ASP A 87 -5.230 -16.020 -5.102 1.00 0.00 O ATOM 1177 OD2 ASP A 87 -3.079 -16.506 -4.787 1.00 0.00 O ATOM 0 H ASP A 87 -5.011 -12.370 -6.383 1.00 0.00 H new ATOM 0 HA ASP A 87 -3.538 -13.633 -4.137 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -4.310 -14.442 -6.883 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -2.625 -14.731 -6.496 1.00 0.00 H new ATOM 1182 N CYS A 88 -1.751 -11.920 -4.458 1.00 0.00 N ATOM 1183 CA CYS A 88 -0.586 -11.075 -4.630 1.00 0.00 C ATOM 1184 C CYS A 88 0.455 -11.799 -5.472 1.00 0.00 C ATOM 1185 O CYS A 88 1.274 -11.163 -6.131 1.00 0.00 O ATOM 1186 CB CYS A 88 -0.018 -10.710 -3.262 1.00 0.00 C ATOM 1187 SG CYS A 88 -0.911 -9.376 -2.426 1.00 0.00 S ATOM 0 H CYS A 88 -2.030 -12.058 -3.487 1.00 0.00 H new ATOM 0 HA CYS A 88 -0.869 -10.158 -5.147 1.00 0.00 H new ATOM 0 HB2 CYS A 88 -0.031 -11.596 -2.627 1.00 0.00 H new ATOM 0 HB3 CYS A 88 1.025 -10.417 -3.380 1.00 0.00 H new ATOM 1192 N THR A 89 0.424 -13.133 -5.448 1.00 0.00 N ATOM 1193 CA THR A 89 1.364 -13.931 -6.209 1.00 0.00 C ATOM 1194 C THR A 89 0.889 -14.060 -7.648 1.00 0.00 C ATOM 1195 O THR A 89 1.560 -14.674 -8.474 1.00 0.00 O ATOM 1196 CB THR A 89 1.505 -15.305 -5.561 1.00 0.00 C ATOM 1197 OG1 THR A 89 0.261 -15.704 -5.029 1.00 0.00 O ATOM 1198 CG2 THR A 89 2.538 -15.236 -4.439 1.00 0.00 C ATOM 0 H THR A 89 -0.247 -13.677 -4.906 1.00 0.00 H new ATOM 0 HA THR A 89 2.339 -13.443 -6.213 1.00 0.00 H new ATOM 0 HB THR A 89 1.829 -16.027 -6.310 1.00 0.00 H new ATOM 0 HG1 THR A 89 0.254 -16.676 -4.907 1.00 0.00 H new ATOM 0 HG21 THR A 89 2.639 -16.218 -3.976 1.00 0.00 H new ATOM 0 HG22 THR A 89 3.500 -14.928 -4.849 1.00 0.00 H new ATOM 0 HG23 THR A 89 2.214 -14.513 -3.690 1.00 0.00 H new ATOM 1206 N THR A 90 -0.274 -13.478 -7.949 1.00 0.00 N ATOM 1207 CA THR A 90 -0.829 -13.531 -9.287 1.00 0.00 C ATOM 1208 C THR A 90 -0.889 -12.131 -9.880 1.00 0.00 C ATOM 1209 O THR A 90 -0.824 -11.966 -11.096 1.00 0.00 O ATOM 1210 CB THR A 90 -2.221 -14.156 -9.234 1.00 0.00 C ATOM 1211 OG1 THR A 90 -2.103 -15.559 -9.152 1.00 0.00 O ATOM 1212 CG2 THR A 90 -2.994 -13.783 -10.496 1.00 0.00 C ATOM 0 H THR A 90 -0.845 -12.965 -7.277 1.00 0.00 H new ATOM 0 HA THR A 90 -0.192 -14.145 -9.924 1.00 0.00 H new ATOM 0 HB THR A 90 -2.754 -13.784 -8.359 1.00 0.00 H new ATOM 0 HG1 THR A 90 -2.996 -15.961 -9.116 1.00 0.00 H new ATOM 0 HG21 THR A 90 -3.988 -14.229 -10.459 1.00 0.00 H new ATOM 0 HG22 THR A 90 -3.085 -12.699 -10.560 1.00 0.00 H new ATOM 0 HG23 THR A 90 -2.462 -14.155 -11.372 1.00 0.00 H new ATOM 1220 N ALA A 91 -1.013 -11.121 -9.016 1.00 0.00 N ATOM 1221 CA ALA A 91 -1.081 -9.742 -9.457 1.00 0.00 C ATOM 1222 C ALA A 91 -0.010 -8.922 -8.753 1.00 0.00 C ATOM 1223 O ALA A 91 0.806 -9.468 -8.014 1.00 0.00 O ATOM 1224 CB ALA A 91 -2.471 -9.184 -9.163 1.00 0.00 C ATOM 0 H ALA A 91 -1.068 -11.242 -8.005 1.00 0.00 H new ATOM 0 HA ALA A 91 -0.902 -9.689 -10.531 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -2.524 -8.147 -9.494 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -3.219 -9.773 -9.693 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -2.664 -9.233 -8.091 1.00 0.00 H new ATOM 1230 N ALA A 92 -0.014 -7.607 -8.984 1.00 0.00 N ATOM 1231 CA ALA A 92 0.956 -6.721 -8.374 1.00 0.00 C ATOM 1232 C ALA A 92 0.353 -6.071 -7.137 1.00 0.00 C ATOM 1233 O ALA A 92 -0.702 -5.444 -7.214 1.00 0.00 O ATOM 1234 CB ALA A 92 1.384 -5.662 -9.386 1.00 0.00 C ATOM 0 H ALA A 92 -0.685 -7.139 -9.593 1.00 0.00 H new ATOM 0 HA ALA A 92 1.834 -7.291 -8.070 1.00 0.00 H new ATOM 0 HB1 ALA A 92 2.114 -4.995 -8.928 1.00 0.00 H new ATOM 0 HB2 ALA A 92 1.831 -6.147 -10.254 1.00 0.00 H new ATOM 0 HB3 ALA A 92 0.513 -5.086 -9.700 1.00 0.00 H new ATOM 1240 N CYS A 93 1.026 -6.222 -5.993 1.00 0.00 N ATOM 1241 CA CYS A 93 0.555 -5.651 -4.747 1.00 0.00 C ATOM 1242 C CYS A 93 1.385 -4.425 -4.397 1.00 0.00 C ATOM 1243 O CYS A 93 2.540 -4.318 -4.804 1.00 0.00 O ATOM 1244 CB CYS A 93 0.645 -6.700 -3.642 1.00 0.00 C ATOM 1245 SG CYS A 93 -0.857 -7.691 -3.444 1.00 0.00 S ATOM 0 H CYS A 93 1.902 -6.739 -5.913 1.00 0.00 H new ATOM 0 HA CYS A 93 -0.485 -5.343 -4.853 1.00 0.00 H new ATOM 0 HB2 CYS A 93 1.482 -7.366 -3.854 1.00 0.00 H new ATOM 0 HB3 CYS A 93 0.866 -6.201 -2.698 1.00 0.00 H new ATOM 1250 N GLN A 94 0.794 -3.498 -3.639 1.00 0.00 N ATOM 1251 CA GLN A 94 1.481 -2.286 -3.240 1.00 0.00 C ATOM 1252 C GLN A 94 0.816 -1.698 -2.004 1.00 0.00 C ATOM 1253 O GLN A 94 -0.402 -1.779 -1.853 1.00 0.00 O ATOM 1254 CB GLN A 94 1.458 -1.287 -4.393 1.00 0.00 C ATOM 1255 CG GLN A 94 0.330 -0.283 -4.175 1.00 0.00 C ATOM 1256 CD GLN A 94 -0.163 0.276 -5.502 1.00 0.00 C ATOM 1257 OE1 GLN A 94 0.400 1.239 -6.019 1.00 0.00 O ATOM 1258 NE2 GLN A 94 -1.217 -0.330 -6.053 1.00 0.00 N ATOM 0 H GLN A 94 -0.162 -3.572 -3.293 1.00 0.00 H new ATOM 0 HA GLN A 94 2.518 -2.515 -2.995 1.00 0.00 H new ATOM 0 HB2 GLN A 94 2.414 -0.767 -4.457 1.00 0.00 H new ATOM 0 HB3 GLN A 94 1.316 -1.810 -5.339 1.00 0.00 H new ATOM 0 HG2 GLN A 94 -0.495 -0.765 -3.650 1.00 0.00 H new ATOM 0 HG3 GLN A 94 0.680 0.531 -3.540 1.00 0.00 H new ATOM 0 HE21 GLN A 94 -1.650 -1.126 -5.585 1.00 0.00 H new ATOM 0 HE22 GLN A 94 -1.589 0.003 -6.942 1.00 0.00 H new ATOM 1267 N VAL A 95 1.618 -1.103 -1.118 1.00 0.00 N ATOM 1268 CA VAL A 95 1.105 -0.505 0.098 1.00 0.00 C ATOM 1269 C VAL A 95 1.020 1.005 -0.067 1.00 0.00 C ATOM 1270 O VAL A 95 1.645 1.569 -0.962 1.00 0.00 O ATOM 1271 CB VAL A 95 2.015 -0.871 1.268 1.00 0.00 C ATOM 1272 CG1 VAL A 95 1.720 0.048 2.449 1.00 0.00 C ATOM 1273 CG2 VAL A 95 1.761 -2.320 1.675 1.00 0.00 C ATOM 0 H VAL A 95 2.629 -1.027 -1.229 1.00 0.00 H new ATOM 0 HA VAL A 95 0.104 -0.886 0.301 1.00 0.00 H new ATOM 0 HB VAL A 95 3.057 -0.754 0.969 1.00 0.00 H new ATOM 0 HG11 VAL A 95 2.370 -0.213 3.284 1.00 0.00 H new ATOM 0 HG12 VAL A 95 1.901 1.083 2.159 1.00 0.00 H new ATOM 0 HG13 VAL A 95 0.679 -0.068 2.749 1.00 0.00 H new ATOM 0 HG21 VAL A 95 2.410 -2.582 2.510 1.00 0.00 H new ATOM 0 HG22 VAL A 95 0.719 -2.437 1.974 1.00 0.00 H new ATOM 0 HG23 VAL A 95 1.972 -2.977 0.831 1.00 0.00 H new ATOM 1283 N GLY A 96 0.245 1.661 0.800 1.00 0.00 N ATOM 1284 CA GLY A 96 0.087 3.100 0.741 1.00 0.00 C ATOM 1285 C GLY A 96 -0.723 3.591 1.933 1.00 0.00 C ATOM 1286 O GLY A 96 -1.379 2.801 2.608 1.00 0.00 O ATOM 0 H GLY A 96 -0.280 1.210 1.549 1.00 0.00 H new ATOM 0 HA2 GLY A 96 1.065 3.580 0.735 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -0.412 3.380 -0.187 1.00 0.00 H new ATOM 1290 N LEU A 97 -0.676 4.901 2.190 1.00 0.00 N ATOM 1291 CA LEU A 97 -1.403 5.490 3.296 1.00 0.00 C ATOM 1292 C LEU A 97 -2.666 6.166 2.782 1.00 0.00 C ATOM 1293 O LEU A 97 -2.774 6.466 1.595 1.00 0.00 O ATOM 1294 CB LEU A 97 -0.507 6.494 4.016 1.00 0.00 C ATOM 1295 CG LEU A 97 0.569 5.746 4.797 1.00 0.00 C ATOM 1296 CD1 LEU A 97 1.840 5.658 3.956 1.00 0.00 C ATOM 1297 CD2 LEU A 97 0.868 6.493 6.094 1.00 0.00 C ATOM 0 H LEU A 97 -0.137 5.569 1.639 1.00 0.00 H new ATOM 0 HA LEU A 97 -1.693 4.711 4.001 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -0.045 7.168 3.295 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -1.101 7.109 4.692 1.00 0.00 H new ATOM 0 HG LEU A 97 0.217 4.741 5.029 1.00 0.00 H new ATOM 0 HD11 LEU A 97 2.609 5.124 4.514 1.00 0.00 H new ATOM 0 HD12 LEU A 97 1.627 5.125 3.030 1.00 0.00 H new ATOM 0 HD13 LEU A 97 2.193 6.663 3.723 1.00 0.00 H new ATOM 0 HD21 LEU A 97 1.637 5.959 6.653 1.00 0.00 H new ATOM 0 HD22 LEU A 97 1.220 7.498 5.862 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -0.039 6.556 6.695 1.00 0.00 H new ATOM 1309 N SER A 98 -3.624 6.406 3.681 1.00 0.00 N ATOM 1310 CA SER A 98 -4.872 7.046 3.314 1.00 0.00 C ATOM 1311 C SER A 98 -5.457 7.767 4.520 1.00 0.00 C ATOM 1312 O SER A 98 -5.752 7.143 5.537 1.00 0.00 O ATOM 1313 CB SER A 98 -5.845 5.995 2.787 1.00 0.00 C ATOM 1314 OG SER A 98 -5.742 4.826 3.568 1.00 0.00 O ATOM 0 H SER A 98 -3.551 6.163 4.669 1.00 0.00 H new ATOM 0 HA SER A 98 -4.692 7.781 2.530 1.00 0.00 H new ATOM 0 HB2 SER A 98 -6.865 6.379 2.820 1.00 0.00 H new ATOM 0 HB3 SER A 98 -5.623 5.769 1.744 1.00 0.00 H new ATOM 0 HG SER A 98 -6.585 4.676 4.045 1.00 0.00 H new ATOM 1320 N ASP A 99 -5.624 9.086 4.405 1.00 0.00 N ATOM 1321 CA ASP A 99 -6.172 9.884 5.484 1.00 0.00 C ATOM 1322 C ASP A 99 -7.509 10.475 5.060 1.00 0.00 C ATOM 1323 O ASP A 99 -8.078 10.066 4.050 1.00 0.00 O ATOM 1324 CB ASP A 99 -5.185 10.989 5.850 1.00 0.00 C ATOM 1325 CG ASP A 99 -5.060 12.003 4.722 1.00 0.00 C ATOM 1326 OD1 ASP A 99 -4.839 11.553 3.577 1.00 0.00 O ATOM 1327 OD2 ASP A 99 -5.187 13.209 5.026 1.00 0.00 O ATOM 0 H ASP A 99 -5.384 9.618 3.569 1.00 0.00 H new ATOM 0 HA ASP A 99 -6.336 9.256 6.360 1.00 0.00 H new ATOM 0 HB2 ASP A 99 -5.516 11.490 6.760 1.00 0.00 H new ATOM 0 HB3 ASP A 99 -4.209 10.554 6.063 1.00 0.00 H new ATOM 1332 N ALA A 100 -8.010 11.440 5.834 1.00 0.00 N ATOM 1333 CA ALA A 100 -9.276 12.079 5.537 1.00 0.00 C ATOM 1334 C ALA A 100 -9.290 12.545 4.088 1.00 0.00 C ATOM 1335 O ALA A 100 -10.355 12.751 3.510 1.00 0.00 O ATOM 1336 CB ALA A 100 -9.486 13.256 6.485 1.00 0.00 C ATOM 0 H ALA A 100 -7.549 11.791 6.673 1.00 0.00 H new ATOM 0 HA ALA A 100 -10.089 11.367 5.678 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -10.438 13.737 6.262 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -9.493 12.897 7.514 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -8.677 13.975 6.357 1.00 0.00 H new ATOM 1342 N ALA A 101 -8.102 12.709 3.500 1.00 0.00 N ATOM 1343 CA ALA A 101 -7.984 13.150 2.125 1.00 0.00 C ATOM 1344 C ALA A 101 -7.621 11.970 1.235 1.00 0.00 C ATOM 1345 O ALA A 101 -7.900 11.984 0.038 1.00 0.00 O ATOM 1346 CB ALA A 101 -6.924 14.244 2.032 1.00 0.00 C ATOM 0 H ALA A 101 -7.210 12.540 3.965 1.00 0.00 H new ATOM 0 HA ALA A 101 -8.937 13.556 1.786 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -6.834 14.577 0.998 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -7.214 15.086 2.660 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -5.965 13.852 2.371 1.00 0.00 H new ATOM 1352 N GLY A 102 -6.997 10.946 1.821 1.00 0.00 N ATOM 1353 CA GLY A 102 -6.602 9.768 1.076 1.00 0.00 C ATOM 1354 C GLY A 102 -5.241 9.985 0.429 1.00 0.00 C ATOM 1355 O GLY A 102 -4.903 9.322 -0.550 1.00 0.00 O ATOM 0 H GLY A 102 -6.758 10.917 2.812 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -6.563 8.905 1.741 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -7.346 9.547 0.310 1.00 0.00 H new ATOM 1359 N ASN A 103 -4.459 10.916 0.979 1.00 0.00 N ATOM 1360 CA ASN A 103 -3.142 11.214 0.454 1.00 0.00 C ATOM 1361 C ASN A 103 -2.270 9.967 0.503 1.00 0.00 C ATOM 1362 O ASN A 103 -2.775 8.850 0.425 1.00 0.00 O ATOM 1363 CB ASN A 103 -2.516 12.344 1.267 1.00 0.00 C ATOM 1364 CG ASN A 103 -1.980 11.826 2.594 1.00 0.00 C ATOM 1365 OD1 ASN A 103 -1.003 12.355 3.119 1.00 0.00 O ATOM 1366 ND2 ASN A 103 -2.625 10.791 3.137 1.00 0.00 N ATOM 0 H ASN A 103 -4.724 11.474 1.791 1.00 0.00 H new ATOM 0 HA ASN A 103 -3.225 11.533 -0.585 1.00 0.00 H new ATOM 0 HB2 ASN A 103 -1.707 12.802 0.698 1.00 0.00 H new ATOM 0 HB3 ASN A 103 -3.258 13.121 1.449 1.00 0.00 H new ATOM 0 HD21 ASN A 103 -2.311 10.405 4.027 1.00 0.00 H new ATOM 0 HD22 ASN A 103 -3.432 10.387 2.662 1.00 0.00 H new ATOM 1373 N GLY A 104 -0.955 10.160 0.635 1.00 0.00 N ATOM 1374 CA GLY A 104 -0.025 9.051 0.694 1.00 0.00 C ATOM 1375 C GLY A 104 1.234 9.376 -0.097 1.00 0.00 C ATOM 1376 O GLY A 104 1.196 10.175 -1.030 1.00 0.00 O ATOM 0 H GLY A 104 -0.519 11.079 0.702 1.00 0.00 H new ATOM 0 HA2 GLY A 104 0.234 8.839 1.731 1.00 0.00 H new ATOM 0 HA3 GLY A 104 -0.494 8.153 0.292 1.00 0.00 H new ATOM 1380 N PRO A 105 2.353 8.752 0.279 1.00 0.00 N ATOM 1381 CA PRO A 105 3.641 8.935 -0.354 1.00 0.00 C ATOM 1382 C PRO A 105 3.640 8.260 -1.718 1.00 0.00 C ATOM 1383 O PRO A 105 2.798 7.406 -1.989 1.00 0.00 O ATOM 1384 CB PRO A 105 4.640 8.265 0.587 1.00 0.00 C ATOM 1385 CG PRO A 105 3.807 7.155 1.228 1.00 0.00 C ATOM 1386 CD PRO A 105 2.434 7.807 1.371 1.00 0.00 C ATOM 0 HA PRO A 105 3.887 9.984 -0.518 1.00 0.00 H new ATOM 0 HB2 PRO A 105 5.499 7.866 0.048 1.00 0.00 H new ATOM 0 HB3 PRO A 105 5.026 8.962 1.331 1.00 0.00 H new ATOM 0 HG2 PRO A 105 3.769 6.264 0.601 1.00 0.00 H new ATOM 0 HG3 PRO A 105 4.213 6.850 2.192 1.00 0.00 H new ATOM 0 HD2 PRO A 105 1.637 7.066 1.312 1.00 0.00 H new ATOM 0 HD3 PRO A 105 2.333 8.307 2.334 1.00 0.00 H new ATOM 1394 N GLU A 106 4.585 8.645 -2.579 1.00 0.00 N ATOM 1395 CA GLU A 106 4.684 8.075 -3.908 1.00 0.00 C ATOM 1396 C GLU A 106 4.240 6.619 -3.882 1.00 0.00 C ATOM 1397 O GLU A 106 4.780 5.816 -3.125 1.00 0.00 O ATOM 1398 CB GLU A 106 6.122 8.194 -4.404 1.00 0.00 C ATOM 1399 CG GLU A 106 6.178 9.177 -5.570 1.00 0.00 C ATOM 1400 CD GLU A 106 6.367 8.444 -6.890 1.00 0.00 C ATOM 1401 OE1 GLU A 106 5.584 7.500 -7.132 1.00 0.00 O ATOM 1402 OE2 GLU A 106 7.291 8.841 -7.633 1.00 0.00 O ATOM 0 H GLU A 106 5.290 9.352 -2.371 1.00 0.00 H new ATOM 0 HA GLU A 106 4.031 8.619 -4.591 1.00 0.00 H new ATOM 0 HB2 GLU A 106 6.770 8.534 -3.596 1.00 0.00 H new ATOM 0 HB3 GLU A 106 6.491 7.218 -4.719 1.00 0.00 H new ATOM 0 HG2 GLU A 106 5.259 9.761 -5.602 1.00 0.00 H new ATOM 0 HG3 GLU A 106 6.997 9.880 -5.419 1.00 0.00 H new ATOM 1409 N GLY A 107 3.253 6.279 -4.715 1.00 0.00 N ATOM 1410 CA GLY A 107 2.747 4.923 -4.781 1.00 0.00 C ATOM 1411 C GLY A 107 3.881 3.926 -4.586 1.00 0.00 C ATOM 1412 O GLY A 107 4.949 4.075 -5.175 1.00 0.00 O ATOM 0 H GLY A 107 2.794 6.932 -5.350 1.00 0.00 H new ATOM 0 HA2 GLY A 107 1.987 4.774 -4.015 1.00 0.00 H new ATOM 0 HA3 GLY A 107 2.266 4.753 -5.744 1.00 0.00 H new ATOM 1416 N VAL A 108 3.645 2.907 -3.756 1.00 0.00 N ATOM 1417 CA VAL A 108 4.644 1.893 -3.488 1.00 0.00 C ATOM 1418 C VAL A 108 4.237 0.582 -4.146 1.00 0.00 C ATOM 1419 O VAL A 108 3.373 -0.128 -3.638 1.00 0.00 O ATOM 1420 CB VAL A 108 4.796 1.716 -1.980 1.00 0.00 C ATOM 1421 CG1 VAL A 108 5.213 0.280 -1.675 1.00 0.00 C ATOM 1422 CG2 VAL A 108 5.863 2.676 -1.461 1.00 0.00 C ATOM 0 H VAL A 108 2.764 2.770 -3.260 1.00 0.00 H new ATOM 0 HA VAL A 108 5.603 2.203 -3.903 1.00 0.00 H new ATOM 0 HB VAL A 108 3.845 1.929 -1.492 1.00 0.00 H new ATOM 0 HG11 VAL A 108 5.322 0.154 -0.598 1.00 0.00 H new ATOM 0 HG12 VAL A 108 4.452 -0.406 -2.046 1.00 0.00 H new ATOM 0 HG13 VAL A 108 6.164 0.066 -2.163 1.00 0.00 H new ATOM 0 HG21 VAL A 108 5.972 2.550 -0.384 1.00 0.00 H new ATOM 0 HG22 VAL A 108 6.814 2.462 -1.950 1.00 0.00 H new ATOM 0 HG23 VAL A 108 5.566 3.702 -1.678 1.00 0.00 H new ATOM 1432 N ALA A 109 4.863 0.263 -5.282 1.00 0.00 N ATOM 1433 CA ALA A 109 4.563 -0.957 -6.003 1.00 0.00 C ATOM 1434 C ALA A 109 5.385 -2.106 -5.437 1.00 0.00 C ATOM 1435 O ALA A 109 6.550 -1.926 -5.090 1.00 0.00 O ATOM 1436 CB ALA A 109 4.863 -0.757 -7.486 1.00 0.00 C ATOM 0 H ALA A 109 5.582 0.841 -5.716 1.00 0.00 H new ATOM 0 HA ALA A 109 3.507 -1.201 -5.889 1.00 0.00 H new ATOM 0 HB1 ALA A 109 4.638 -1.674 -8.030 1.00 0.00 H new ATOM 0 HB2 ALA A 109 4.249 0.055 -7.875 1.00 0.00 H new ATOM 0 HB3 ALA A 109 5.917 -0.509 -7.614 1.00 0.00 H new ATOM 1442 N ILE A 110 4.775 -3.290 -5.343 1.00 0.00 N ATOM 1443 CA ILE A 110 5.450 -4.461 -4.822 1.00 0.00 C ATOM 1444 C ILE A 110 5.711 -5.449 -5.949 1.00 0.00 C ATOM 1445 O ILE A 110 5.166 -5.306 -7.041 1.00 0.00 O ATOM 1446 CB ILE A 110 4.593 -5.098 -3.731 1.00 0.00 C ATOM 1447 CG1 ILE A 110 3.783 -4.016 -3.023 1.00 0.00 C ATOM 1448 CG2 ILE A 110 5.496 -5.800 -2.721 1.00 0.00 C ATOM 1449 CD1 ILE A 110 3.197 -4.581 -1.732 1.00 0.00 C ATOM 0 H ILE A 110 3.809 -3.454 -5.625 1.00 0.00 H new ATOM 0 HA ILE A 110 6.408 -4.172 -4.390 1.00 0.00 H new ATOM 0 HB ILE A 110 3.915 -5.824 -4.179 1.00 0.00 H new ATOM 0 HG12 ILE A 110 4.418 -3.158 -2.802 1.00 0.00 H new ATOM 0 HG13 ILE A 110 2.983 -3.662 -3.673 1.00 0.00 H new ATOM 0 HG21 ILE A 110 4.885 -6.255 -1.941 1.00 0.00 H new ATOM 0 HG22 ILE A 110 6.075 -6.573 -3.226 1.00 0.00 H new ATOM 0 HG23 ILE A 110 6.174 -5.074 -2.273 1.00 0.00 H new ATOM 0 HD11 ILE A 110 2.618 -3.808 -1.226 1.00 0.00 H new ATOM 0 HD12 ILE A 110 2.548 -5.425 -1.966 1.00 0.00 H new ATOM 0 HD13 ILE A 110 4.005 -4.914 -1.081 1.00 0.00 H new ATOM 1461 N SER A 111 6.549 -6.454 -5.683 1.00 0.00 N ATOM 1462 CA SER A 111 6.876 -7.459 -6.675 1.00 0.00 C ATOM 1463 C SER A 111 7.197 -8.778 -5.988 1.00 0.00 C ATOM 1464 O SER A 111 8.085 -8.839 -5.140 1.00 0.00 O ATOM 1465 CB SER A 111 8.060 -6.981 -7.510 1.00 0.00 C ATOM 1466 OG SER A 111 7.885 -7.388 -8.849 1.00 0.00 O ATOM 0 H SER A 111 7.011 -6.586 -4.783 1.00 0.00 H new ATOM 0 HA SER A 111 6.023 -7.616 -7.335 1.00 0.00 H new ATOM 0 HB2 SER A 111 8.142 -5.895 -7.456 1.00 0.00 H new ATOM 0 HB3 SER A 111 8.988 -7.391 -7.112 1.00 0.00 H new ATOM 0 HG SER A 111 8.644 -7.080 -9.386 1.00 0.00 H new ATOM 1472 N PHE A 112 6.472 -9.838 -6.356 1.00 0.00 N ATOM 1473 CA PHE A 112 6.686 -11.147 -5.775 1.00 0.00 C ATOM 1474 C PHE A 112 7.530 -11.998 -6.713 1.00 0.00 C ATOM 1475 O PHE A 112 7.191 -12.157 -7.884 1.00 0.00 O ATOM 1476 CB PHE A 112 5.337 -11.810 -5.509 1.00 0.00 C ATOM 1477 CG PHE A 112 4.440 -11.007 -4.597 1.00 0.00 C ATOM 1478 CD1 PHE A 112 3.842 -9.830 -5.063 1.00 0.00 C ATOM 1479 CD2 PHE A 112 4.205 -11.441 -3.287 1.00 0.00 C ATOM 1480 CE1 PHE A 112 3.008 -9.087 -4.219 1.00 0.00 C ATOM 1481 CE2 PHE A 112 3.371 -10.697 -2.443 1.00 0.00 C ATOM 1482 CZ PHE A 112 2.773 -9.520 -2.909 1.00 0.00 C ATOM 0 H PHE A 112 5.732 -9.805 -7.057 1.00 0.00 H new ATOM 0 HA PHE A 112 7.220 -11.047 -4.830 1.00 0.00 H new ATOM 0 HB2 PHE A 112 4.826 -11.970 -6.459 1.00 0.00 H new ATOM 0 HB3 PHE A 112 5.505 -12.792 -5.068 1.00 0.00 H new ATOM 0 HD1 PHE A 112 4.024 -9.495 -6.074 1.00 0.00 H new ATOM 0 HD2 PHE A 112 4.666 -12.349 -2.927 1.00 0.00 H new ATOM 0 HE1 PHE A 112 2.546 -8.180 -4.579 1.00 0.00 H new ATOM 0 HE2 PHE A 112 3.189 -11.031 -1.432 1.00 0.00 H new ATOM 0 HZ PHE A 112 2.130 -8.946 -2.258 1.00 0.00 H new ATOM 1492 N ASN A 113 8.632 -12.547 -6.197 1.00 0.00 N ATOM 1493 CA ASN A 113 9.515 -13.377 -6.991 1.00 0.00 C ATOM 1494 C ASN A 113 9.716 -12.754 -8.365 1.00 0.00 C ATOM 1495 O ASN A 113 10.833 -12.719 -8.876 1.00 0.00 O ATOM 1496 CB ASN A 113 8.920 -14.777 -7.113 1.00 0.00 C ATOM 1497 CG ASN A 113 7.601 -14.742 -7.872 1.00 0.00 C ATOM 1498 OD1 ASN A 113 7.581 -14.894 -9.091 1.00 0.00 O ATOM 1499 ND2 ASN A 113 6.498 -14.544 -7.147 1.00 0.00 N ATOM 0 H ASN A 113 8.927 -12.426 -5.228 1.00 0.00 H new ATOM 0 HA ASN A 113 10.487 -13.450 -6.504 1.00 0.00 H new ATOM 0 HB2 ASN A 113 9.623 -15.432 -7.628 1.00 0.00 H new ATOM 0 HB3 ASN A 113 8.762 -15.197 -6.120 1.00 0.00 H new ATOM 0 HD21 ASN A 113 5.586 -14.514 -7.603 1.00 0.00 H new ATOM 0 HD22 ASN A 113 6.567 -14.423 -6.137 1.00 0.00 H new TER 1506 ASN A 113