USER MOD reduce.3.24.130724 H: found=0, std=0, add=543, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 540 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 15 HIS : no HD1:sc= -5.65! C(o=-6!,f=-8.5!) USER MOD Set 1.2: A 16 THR OG1 : rot 180:sc= -0.391 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= -0.135 USER MOD Single : A 3 SER OG : rot 29:sc= 0.728 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc=-0.00127 USER MOD Single : A 9 CYS SG : rot 114:sc= 1.1 USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot 180:sc= -0.322 USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 180:sc= -0.132 USER MOD Single : A 29 LYS NZ :NH3+ 142:sc= -0.741 (180deg=-2.23!) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 SER OG : rot 19:sc= 0.166 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 46 THR OG1 : rot 180:sc= 0.0191 USER MOD Single : A 48 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 52 ASN : amide:sc= -0.35 X(o=-0.35,f=0) USER MOD Single : A 53 ASN : amide:sc= -0.218 X(o=-0.22,f=-0.14) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 THR OG1 : rot 15:sc= 0.206! USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot 130:sc= 0.192 USER MOD Single : A 68 SER OG : rot 180:sc= -0.182 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 16.803 -19.960 12.599 1.00 0.00 N ATOM 2 CA GLY A 1 16.207 -19.182 11.529 1.00 0.00 C ATOM 3 C GLY A 1 16.310 -17.689 11.769 1.00 0.00 C ATOM 4 O GLY A 1 15.370 -17.066 12.262 1.00 0.00 O ATOM 0 H1 GLY A 1 16.706 -20.974 12.387 1.00 0.00 H new ATOM 0 H2 GLY A 1 17.811 -19.719 12.684 1.00 0.00 H new ATOM 0 H3 GLY A 1 16.319 -19.746 13.495 1.00 0.00 H new ATOM 0 HA2 GLY A 1 16.697 -19.430 10.588 1.00 0.00 H new ATOM 0 HA3 GLY A 1 15.158 -19.458 11.424 1.00 0.00 H new ATOM 8 N SER A 2 17.457 -17.114 11.422 1.00 0.00 N ATOM 9 CA SER A 2 17.682 -15.685 11.609 1.00 0.00 C ATOM 10 C SER A 2 17.105 -14.888 10.443 1.00 0.00 C ATOM 11 O SER A 2 16.423 -13.882 10.642 1.00 0.00 O ATOM 12 CB SER A 2 19.178 -15.397 11.747 1.00 0.00 C ATOM 13 OG SER A 2 19.860 -15.639 10.528 1.00 0.00 O ATOM 0 H SER A 2 18.244 -17.615 11.010 1.00 0.00 H new ATOM 0 HA SER A 2 17.174 -15.378 12.523 1.00 0.00 H new ATOM 0 HB2 SER A 2 19.325 -14.360 12.050 1.00 0.00 H new ATOM 0 HB3 SER A 2 19.601 -16.022 12.534 1.00 0.00 H new ATOM 0 HG SER A 2 20.814 -15.446 10.643 1.00 0.00 H new ATOM 19 N SER A 3 17.384 -15.344 9.226 1.00 0.00 N ATOM 20 CA SER A 3 16.897 -14.672 8.027 1.00 0.00 C ATOM 21 C SER A 3 15.448 -15.053 7.742 1.00 0.00 C ATOM 22 O SER A 3 15.155 -16.188 7.367 1.00 0.00 O ATOM 23 CB SER A 3 17.776 -15.025 6.826 1.00 0.00 C ATOM 24 OG SER A 3 17.763 -16.421 6.578 1.00 0.00 O ATOM 0 H SER A 3 17.945 -16.176 9.044 1.00 0.00 H new ATOM 0 HA SER A 3 16.944 -13.597 8.198 1.00 0.00 H new ATOM 0 HB2 SER A 3 17.422 -14.492 5.943 1.00 0.00 H new ATOM 0 HB3 SER A 3 18.798 -14.694 7.010 1.00 0.00 H new ATOM 0 HG SER A 3 16.909 -16.798 6.875 1.00 0.00 H new ATOM 30 N GLY A 4 14.543 -14.096 7.923 1.00 0.00 N ATOM 31 CA GLY A 4 13.135 -14.350 7.680 1.00 0.00 C ATOM 32 C GLY A 4 12.260 -13.173 8.062 1.00 0.00 C ATOM 33 O GLY A 4 12.761 -12.119 8.454 1.00 0.00 O ATOM 0 H GLY A 4 14.760 -13.149 8.234 1.00 0.00 H new ATOM 0 HA2 GLY A 4 12.987 -14.581 6.625 1.00 0.00 H new ATOM 0 HA3 GLY A 4 12.824 -15.229 8.246 1.00 0.00 H new ATOM 37 N SER A 5 10.947 -13.351 7.946 1.00 0.00 N ATOM 38 CA SER A 5 10.000 -12.293 8.277 1.00 0.00 C ATOM 39 C SER A 5 9.689 -12.290 9.771 1.00 0.00 C ATOM 40 O SER A 5 9.836 -13.307 10.449 1.00 0.00 O ATOM 41 CB SER A 5 8.708 -12.467 7.476 1.00 0.00 C ATOM 42 OG SER A 5 7.992 -13.612 7.906 1.00 0.00 O ATOM 0 H SER A 5 10.516 -14.218 7.625 1.00 0.00 H new ATOM 0 HA SER A 5 10.455 -11.337 8.016 1.00 0.00 H new ATOM 0 HB2 SER A 5 8.084 -11.580 7.589 1.00 0.00 H new ATOM 0 HB3 SER A 5 8.943 -12.558 6.416 1.00 0.00 H new ATOM 0 HG SER A 5 7.170 -13.700 7.380 1.00 0.00 H new ATOM 48 N SER A 6 9.257 -11.139 10.277 1.00 0.00 N ATOM 49 CA SER A 6 8.929 -11.001 11.691 1.00 0.00 C ATOM 50 C SER A 6 7.428 -11.155 11.917 1.00 0.00 C ATOM 51 O SER A 6 6.993 -11.918 12.779 1.00 0.00 O ATOM 52 CB SER A 6 9.399 -9.643 12.215 1.00 0.00 C ATOM 53 OG SER A 6 8.922 -8.588 11.398 1.00 0.00 O ATOM 0 H SER A 6 9.126 -10.289 9.729 1.00 0.00 H new ATOM 0 HA SER A 6 9.444 -11.791 12.238 1.00 0.00 H new ATOM 0 HB2 SER A 6 9.048 -9.503 13.237 1.00 0.00 H new ATOM 0 HB3 SER A 6 10.488 -9.619 12.246 1.00 0.00 H new ATOM 0 HG SER A 6 9.235 -7.731 11.755 1.00 0.00 H new ATOM 59 N GLY A 7 6.640 -10.423 11.135 1.00 0.00 N ATOM 60 CA GLY A 7 5.196 -10.491 11.265 1.00 0.00 C ATOM 61 C GLY A 7 4.536 -9.134 11.122 1.00 0.00 C ATOM 62 O GLY A 7 4.443 -8.376 12.089 1.00 0.00 O ATOM 0 H GLY A 7 6.976 -9.784 10.414 1.00 0.00 H new ATOM 0 HA2 GLY A 7 4.798 -11.167 10.508 1.00 0.00 H new ATOM 0 HA3 GLY A 7 4.941 -10.915 12.236 1.00 0.00 H new ATOM 66 N PHE A 8 4.078 -8.824 9.914 1.00 0.00 N ATOM 67 CA PHE A 8 3.427 -7.547 9.648 1.00 0.00 C ATOM 68 C PHE A 8 1.921 -7.646 9.878 1.00 0.00 C ATOM 69 O PHE A 8 1.402 -8.714 10.204 1.00 0.00 O ATOM 70 CB PHE A 8 3.706 -7.097 8.212 1.00 0.00 C ATOM 71 CG PHE A 8 5.146 -6.752 7.961 1.00 0.00 C ATOM 72 CD1 PHE A 8 5.643 -5.505 8.304 1.00 0.00 C ATOM 73 CD2 PHE A 8 6.003 -7.675 7.383 1.00 0.00 C ATOM 74 CE1 PHE A 8 6.968 -5.184 8.075 1.00 0.00 C ATOM 75 CE2 PHE A 8 7.329 -7.360 7.152 1.00 0.00 C ATOM 76 CZ PHE A 8 7.811 -6.112 7.497 1.00 0.00 C ATOM 0 H PHE A 8 4.146 -9.440 9.104 1.00 0.00 H new ATOM 0 HA PHE A 8 3.835 -6.809 10.339 1.00 0.00 H new ATOM 0 HB2 PHE A 8 3.406 -7.890 7.527 1.00 0.00 H new ATOM 0 HB3 PHE A 8 3.088 -6.228 7.985 1.00 0.00 H new ATOM 0 HD1 PHE A 8 4.987 -4.775 8.756 1.00 0.00 H new ATOM 0 HD2 PHE A 8 5.631 -8.651 7.110 1.00 0.00 H new ATOM 0 HE1 PHE A 8 7.343 -4.209 8.348 1.00 0.00 H new ATOM 0 HE2 PHE A 8 7.987 -8.089 6.702 1.00 0.00 H new ATOM 0 HZ PHE A 8 8.846 -5.863 7.315 1.00 0.00 H new ATOM 86 N CYS A 9 1.228 -6.527 9.706 1.00 0.00 N ATOM 87 CA CYS A 9 -0.218 -6.486 9.896 1.00 0.00 C ATOM 88 C CYS A 9 -0.946 -6.841 8.604 1.00 0.00 C ATOM 89 O CYS A 9 -1.841 -7.685 8.596 1.00 0.00 O ATOM 90 CB CYS A 9 -0.651 -5.100 10.375 1.00 0.00 C ATOM 91 SG CYS A 9 -0.416 -4.825 12.147 1.00 0.00 S ATOM 0 H CYS A 9 1.643 -5.636 9.435 1.00 0.00 H new ATOM 0 HA CYS A 9 -0.481 -7.223 10.655 1.00 0.00 H new ATOM 0 HB2 CYS A 9 -0.090 -4.345 9.824 1.00 0.00 H new ATOM 0 HB3 CYS A 9 -1.704 -4.956 10.132 1.00 0.00 H new ATOM 0 HG CYS A 9 0.494 -3.914 12.328 1.00 0.00 H new ATOM 97 N GLY A 10 -0.557 -6.190 7.512 1.00 0.00 N ATOM 98 CA GLY A 10 -1.184 -6.449 6.230 1.00 0.00 C ATOM 99 C GLY A 10 -0.317 -6.021 5.063 1.00 0.00 C ATOM 100 O GLY A 10 0.837 -5.634 5.247 1.00 0.00 O ATOM 0 H GLY A 10 0.182 -5.487 7.493 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -1.403 -7.513 6.145 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -2.137 -5.923 6.182 1.00 0.00 H new ATOM 104 N ARG A 11 -0.872 -6.092 3.857 1.00 0.00 N ATOM 105 CA ARG A 11 -0.140 -5.711 2.655 1.00 0.00 C ATOM 106 C ARG A 11 -1.051 -4.980 1.673 1.00 0.00 C ATOM 107 O ARG A 11 -2.274 -5.008 1.806 1.00 0.00 O ATOM 108 CB ARG A 11 0.461 -6.948 1.985 1.00 0.00 C ATOM 109 CG ARG A 11 1.746 -6.665 1.225 1.00 0.00 C ATOM 110 CD ARG A 11 2.421 -7.950 0.772 1.00 0.00 C ATOM 111 NE ARG A 11 3.152 -8.597 1.858 1.00 0.00 N ATOM 112 CZ ARG A 11 3.780 -9.761 1.731 1.00 0.00 C ATOM 113 NH1 ARG A 11 3.766 -10.401 0.570 1.00 0.00 N ATOM 114 NH2 ARG A 11 4.424 -10.285 2.766 1.00 0.00 N ATOM 0 H ARG A 11 -1.826 -6.410 3.687 1.00 0.00 H new ATOM 0 HA ARG A 11 0.665 -5.037 2.948 1.00 0.00 H new ATOM 0 HB2 ARG A 11 0.658 -7.703 2.746 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -0.272 -7.371 1.298 1.00 0.00 H new ATOM 0 HG2 ARG A 11 1.527 -6.043 0.357 1.00 0.00 H new ATOM 0 HG3 ARG A 11 2.428 -6.099 1.860 1.00 0.00 H new ATOM 0 HD2 ARG A 11 1.669 -8.636 0.382 1.00 0.00 H new ATOM 0 HD3 ARG A 11 3.107 -7.730 -0.046 1.00 0.00 H new ATOM 0 HE ARG A 11 3.182 -8.130 2.764 1.00 0.00 H new ATOM 0 HH11 ARG A 11 3.273 -10.000 -0.228 1.00 0.00 H new ATOM 0 HH12 ARG A 11 4.249 -11.294 0.474 1.00 0.00 H new ATOM 0 HH21 ARG A 11 4.437 -9.794 3.660 1.00 0.00 H new ATOM 0 HH22 ARG A 11 4.906 -11.179 2.668 1.00 0.00 H new ATOM 128 N ALA A 12 -0.445 -4.325 0.688 1.00 0.00 N ATOM 129 CA ALA A 12 -1.201 -3.588 -0.317 1.00 0.00 C ATOM 130 C ALA A 12 -0.373 -3.376 -1.580 1.00 0.00 C ATOM 131 O ALA A 12 0.857 -3.354 -1.531 1.00 0.00 O ATOM 132 CB ALA A 12 -1.661 -2.251 0.245 1.00 0.00 C ATOM 0 H ALA A 12 0.567 -4.290 0.565 1.00 0.00 H new ATOM 0 HA ALA A 12 -2.077 -4.179 -0.583 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -2.224 -1.711 -0.516 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -2.296 -2.421 1.114 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -0.792 -1.662 0.540 1.00 0.00 H new ATOM 138 N ARG A 13 -1.055 -3.221 -2.710 1.00 0.00 N ATOM 139 CA ARG A 13 -0.383 -3.013 -3.986 1.00 0.00 C ATOM 140 C ARG A 13 -0.658 -1.612 -4.524 1.00 0.00 C ATOM 141 O ARG A 13 -1.803 -1.160 -4.552 1.00 0.00 O ATOM 142 CB ARG A 13 -0.839 -4.060 -5.004 1.00 0.00 C ATOM 143 CG ARG A 13 0.038 -4.127 -6.244 1.00 0.00 C ATOM 144 CD ARG A 13 -0.379 -5.267 -7.160 1.00 0.00 C ATOM 145 NE ARG A 13 0.147 -5.102 -8.513 1.00 0.00 N ATOM 146 CZ ARG A 13 1.414 -5.331 -8.842 1.00 0.00 C ATOM 147 NH1 ARG A 13 2.279 -5.732 -7.921 1.00 0.00 N ATOM 148 NH2 ARG A 13 1.817 -5.159 -10.094 1.00 0.00 N ATOM 0 H ARG A 13 -2.073 -3.236 -2.767 1.00 0.00 H new ATOM 0 HA ARG A 13 0.690 -3.117 -3.824 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -0.851 -5.039 -4.525 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -1.863 -3.840 -5.305 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -0.023 -3.183 -6.785 1.00 0.00 H new ATOM 0 HG3 ARG A 13 1.079 -4.258 -5.948 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -0.026 -6.212 -6.747 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -1.467 -5.322 -7.198 1.00 0.00 H new ATOM 0 HE ARG A 13 -0.493 -4.794 -9.245 1.00 0.00 H new ATOM 0 HH11 ARG A 13 1.973 -5.865 -6.957 1.00 0.00 H new ATOM 0 HH12 ARG A 13 3.251 -5.907 -8.176 1.00 0.00 H new ATOM 0 HH21 ARG A 13 1.154 -4.851 -10.805 1.00 0.00 H new ATOM 0 HH22 ARG A 13 2.790 -5.335 -10.345 1.00 0.00 H new ATOM 162 N VAL A 14 0.400 -0.929 -4.950 1.00 0.00 N ATOM 163 CA VAL A 14 0.273 0.421 -5.487 1.00 0.00 C ATOM 164 C VAL A 14 -0.322 0.400 -6.891 1.00 0.00 C ATOM 165 O VAL A 14 0.345 0.021 -7.854 1.00 0.00 O ATOM 166 CB VAL A 14 1.635 1.139 -5.529 1.00 0.00 C ATOM 167 CG1 VAL A 14 1.498 2.506 -6.181 1.00 0.00 C ATOM 168 CG2 VAL A 14 2.215 1.262 -4.129 1.00 0.00 C ATOM 0 H VAL A 14 1.354 -1.288 -4.934 1.00 0.00 H new ATOM 0 HA VAL A 14 -0.396 0.965 -4.820 1.00 0.00 H new ATOM 0 HB VAL A 14 2.322 0.544 -6.131 1.00 0.00 H new ATOM 0 HG11 VAL A 14 2.470 2.998 -6.202 1.00 0.00 H new ATOM 0 HG12 VAL A 14 1.129 2.388 -7.200 1.00 0.00 H new ATOM 0 HG13 VAL A 14 0.796 3.113 -5.609 1.00 0.00 H new ATOM 0 HG21 VAL A 14 3.177 1.772 -4.177 1.00 0.00 H new ATOM 0 HG22 VAL A 14 1.532 1.835 -3.501 1.00 0.00 H new ATOM 0 HG23 VAL A 14 2.352 0.268 -3.703 1.00 0.00 H new ATOM 178 N HIS A 15 -1.582 0.810 -7.000 1.00 0.00 N ATOM 179 CA HIS A 15 -2.267 0.839 -8.288 1.00 0.00 C ATOM 180 C HIS A 15 -2.009 2.158 -9.010 1.00 0.00 C ATOM 181 O HIS A 15 -1.879 2.193 -10.234 1.00 0.00 O ATOM 182 CB HIS A 15 -3.770 0.636 -8.094 1.00 0.00 C ATOM 183 CG HIS A 15 -4.451 1.794 -7.432 1.00 0.00 C ATOM 184 ND1 HIS A 15 -5.424 2.549 -8.052 1.00 0.00 N ATOM 185 CD2 HIS A 15 -4.296 2.324 -6.196 1.00 0.00 C ATOM 186 CE1 HIS A 15 -5.836 3.495 -7.227 1.00 0.00 C ATOM 187 NE2 HIS A 15 -5.168 3.379 -6.093 1.00 0.00 N ATOM 0 H HIS A 15 -2.149 1.126 -6.213 1.00 0.00 H new ATOM 0 HA HIS A 15 -1.874 0.027 -8.900 1.00 0.00 H new ATOM 0 HB2 HIS A 15 -4.233 0.460 -9.065 1.00 0.00 H new ATOM 0 HB3 HIS A 15 -3.933 -0.261 -7.496 1.00 0.00 H new ATOM 0 HD2 HIS A 15 -3.613 1.981 -5.433 1.00 0.00 H new ATOM 0 HE1 HIS A 15 -6.591 4.237 -7.443 1.00 0.00 H new ATOM 0 HE2 HIS A 15 -5.282 3.976 -5.274 1.00 0.00 H new ATOM 195 N THR A 16 -1.938 3.243 -8.245 1.00 0.00 N ATOM 196 CA THR A 16 -1.698 4.564 -8.812 1.00 0.00 C ATOM 197 C THR A 16 -0.386 5.151 -8.303 1.00 0.00 C ATOM 198 O THR A 16 -0.099 5.107 -7.106 1.00 0.00 O ATOM 199 CB THR A 16 -2.846 5.535 -8.478 1.00 0.00 C ATOM 200 OG1 THR A 16 -4.084 5.022 -8.981 1.00 0.00 O ATOM 201 CG2 THR A 16 -2.581 6.910 -9.073 1.00 0.00 C ATOM 0 H THR A 16 -2.043 3.233 -7.231 1.00 0.00 H new ATOM 0 HA THR A 16 -1.641 4.439 -9.893 1.00 0.00 H new ATOM 0 HB THR A 16 -2.908 5.631 -7.394 1.00 0.00 H new ATOM 0 HG1 THR A 16 -4.809 5.644 -8.763 1.00 0.00 H new ATOM 0 HG21 THR A 16 -3.405 7.579 -8.824 1.00 0.00 H new ATOM 0 HG22 THR A 16 -1.653 7.310 -8.665 1.00 0.00 H new ATOM 0 HG23 THR A 16 -2.495 6.827 -10.156 1.00 0.00 H new ATOM 209 N ASP A 17 0.405 5.699 -9.218 1.00 0.00 N ATOM 210 CA ASP A 17 1.687 6.297 -8.861 1.00 0.00 C ATOM 211 C ASP A 17 1.487 7.664 -8.214 1.00 0.00 C ATOM 212 O ASP A 17 0.868 8.554 -8.797 1.00 0.00 O ATOM 213 CB ASP A 17 2.574 6.430 -10.099 1.00 0.00 C ATOM 214 CG ASP A 17 2.384 5.284 -11.073 1.00 0.00 C ATOM 215 OD1 ASP A 17 1.265 5.141 -11.608 1.00 0.00 O ATOM 216 OD2 ASP A 17 3.354 4.531 -11.301 1.00 0.00 O ATOM 0 H ASP A 17 0.182 5.742 -10.212 1.00 0.00 H new ATOM 0 HA ASP A 17 2.178 5.642 -8.141 1.00 0.00 H new ATOM 0 HB2 ASP A 17 2.352 7.371 -10.602 1.00 0.00 H new ATOM 0 HB3 ASP A 17 3.619 6.472 -9.791 1.00 0.00 H new ATOM 221 N PHE A 18 2.015 7.824 -7.004 1.00 0.00 N ATOM 222 CA PHE A 18 1.893 9.082 -6.277 1.00 0.00 C ATOM 223 C PHE A 18 3.265 9.606 -5.864 1.00 0.00 C ATOM 224 O PHE A 18 4.018 8.927 -5.165 1.00 0.00 O ATOM 225 CB PHE A 18 1.011 8.897 -5.040 1.00 0.00 C ATOM 226 CG PHE A 18 1.220 9.952 -3.992 1.00 0.00 C ATOM 227 CD1 PHE A 18 2.192 9.797 -3.017 1.00 0.00 C ATOM 228 CD2 PHE A 18 0.444 11.100 -3.982 1.00 0.00 C ATOM 229 CE1 PHE A 18 2.386 10.766 -2.051 1.00 0.00 C ATOM 230 CE2 PHE A 18 0.633 12.073 -3.018 1.00 0.00 C ATOM 231 CZ PHE A 18 1.606 11.906 -2.053 1.00 0.00 C ATOM 0 H PHE A 18 2.531 7.098 -6.507 1.00 0.00 H new ATOM 0 HA PHE A 18 1.429 9.813 -6.939 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -0.035 8.902 -5.346 1.00 0.00 H new ATOM 0 HB3 PHE A 18 1.211 7.918 -4.604 1.00 0.00 H new ATOM 0 HD1 PHE A 18 2.805 8.908 -3.012 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -0.317 11.236 -4.736 1.00 0.00 H new ATOM 0 HE1 PHE A 18 3.146 10.632 -1.296 1.00 0.00 H new ATOM 0 HE2 PHE A 18 0.020 12.962 -3.020 1.00 0.00 H new ATOM 0 HZ PHE A 18 1.757 12.666 -1.301 1.00 0.00 H new ATOM 241 N THR A 19 3.584 10.820 -6.302 1.00 0.00 N ATOM 242 CA THR A 19 4.865 11.436 -5.980 1.00 0.00 C ATOM 243 C THR A 19 4.690 12.587 -4.996 1.00 0.00 C ATOM 244 O THR A 19 4.244 13.678 -5.351 1.00 0.00 O ATOM 245 CB THR A 19 5.569 11.961 -7.246 1.00 0.00 C ATOM 246 OG1 THR A 19 5.743 10.896 -8.187 1.00 0.00 O ATOM 247 CG2 THR A 19 6.922 12.565 -6.901 1.00 0.00 C ATOM 0 H THR A 19 2.973 11.396 -6.881 1.00 0.00 H new ATOM 0 HA THR A 19 5.482 10.662 -5.524 1.00 0.00 H new ATOM 0 HB THR A 19 4.944 12.737 -7.688 1.00 0.00 H new ATOM 0 HG1 THR A 19 6.190 11.238 -8.989 1.00 0.00 H new ATOM 0 HG21 THR A 19 7.400 12.929 -7.810 1.00 0.00 H new ATOM 0 HG22 THR A 19 6.784 13.394 -6.207 1.00 0.00 H new ATOM 0 HG23 THR A 19 7.552 11.805 -6.438 1.00 0.00 H new ATOM 255 N PRO A 20 5.049 12.341 -3.727 1.00 0.00 N ATOM 256 CA PRO A 20 4.942 13.346 -2.665 1.00 0.00 C ATOM 257 C PRO A 20 5.949 14.478 -2.834 1.00 0.00 C ATOM 258 O PRO A 20 6.954 14.329 -3.530 1.00 0.00 O ATOM 259 CB PRO A 20 5.242 12.550 -1.392 1.00 0.00 C ATOM 260 CG PRO A 20 6.075 11.403 -1.850 1.00 0.00 C ATOM 261 CD PRO A 20 5.589 11.064 -3.232 1.00 0.00 C ATOM 0 HA PRO A 20 3.966 13.832 -2.661 1.00 0.00 H new ATOM 0 HB2 PRO A 20 5.774 13.159 -0.661 1.00 0.00 H new ATOM 0 HB3 PRO A 20 4.324 12.207 -0.914 1.00 0.00 H new ATOM 0 HG2 PRO A 20 7.132 11.669 -1.862 1.00 0.00 H new ATOM 0 HG3 PRO A 20 5.968 10.551 -1.179 1.00 0.00 H new ATOM 0 HD2 PRO A 20 6.398 10.698 -3.864 1.00 0.00 H new ATOM 0 HD3 PRO A 20 4.825 10.286 -3.210 1.00 0.00 H new ATOM 269 N SER A 21 5.674 15.610 -2.194 1.00 0.00 N ATOM 270 CA SER A 21 6.554 16.769 -2.276 1.00 0.00 C ATOM 271 C SER A 21 7.978 16.400 -1.869 1.00 0.00 C ATOM 272 O SER A 21 8.209 15.468 -1.099 1.00 0.00 O ATOM 273 CB SER A 21 6.033 17.897 -1.384 1.00 0.00 C ATOM 274 OG SER A 21 5.955 17.482 -0.031 1.00 0.00 O ATOM 0 H SER A 21 4.848 15.749 -1.612 1.00 0.00 H new ATOM 0 HA SER A 21 6.567 17.111 -3.311 1.00 0.00 H new ATOM 0 HB2 SER A 21 6.691 18.762 -1.465 1.00 0.00 H new ATOM 0 HB3 SER A 21 5.048 18.212 -1.729 1.00 0.00 H new ATOM 0 HG SER A 21 5.621 18.221 0.519 1.00 0.00 H new ATOM 280 N PRO A 22 8.957 17.148 -2.400 1.00 0.00 N ATOM 281 CA PRO A 22 10.375 16.920 -2.107 1.00 0.00 C ATOM 282 C PRO A 22 10.737 17.288 -0.672 1.00 0.00 C ATOM 283 O PRO A 22 11.748 16.831 -0.140 1.00 0.00 O ATOM 284 CB PRO A 22 11.094 17.843 -3.093 1.00 0.00 C ATOM 285 CG PRO A 22 10.110 18.922 -3.389 1.00 0.00 C ATOM 286 CD PRO A 22 8.754 18.275 -3.326 1.00 0.00 C ATOM 0 HA PRO A 22 10.648 15.870 -2.209 1.00 0.00 H new ATOM 0 HB2 PRO A 22 12.008 18.249 -2.660 1.00 0.00 H new ATOM 0 HB3 PRO A 22 11.380 17.309 -3.999 1.00 0.00 H new ATOM 0 HG2 PRO A 22 10.190 19.732 -2.664 1.00 0.00 H new ATOM 0 HG3 PRO A 22 10.290 19.355 -4.373 1.00 0.00 H new ATOM 0 HD2 PRO A 22 7.996 18.966 -2.958 1.00 0.00 H new ATOM 0 HD3 PRO A 22 8.425 17.934 -4.308 1.00 0.00 H new ATOM 294 N TYR A 23 9.904 18.117 -0.051 1.00 0.00 N ATOM 295 CA TYR A 23 10.138 18.548 1.322 1.00 0.00 C ATOM 296 C TYR A 23 9.617 17.513 2.314 1.00 0.00 C ATOM 297 O TYR A 23 10.273 17.204 3.309 1.00 0.00 O ATOM 298 CB TYR A 23 9.467 19.899 1.576 1.00 0.00 C ATOM 299 CG TYR A 23 10.075 21.035 0.786 1.00 0.00 C ATOM 300 CD1 TYR A 23 9.773 21.212 -0.559 1.00 0.00 C ATOM 301 CD2 TYR A 23 10.950 21.933 1.384 1.00 0.00 C ATOM 302 CE1 TYR A 23 10.327 22.249 -1.285 1.00 0.00 C ATOM 303 CE2 TYR A 23 11.507 22.974 0.667 1.00 0.00 C ATOM 304 CZ TYR A 23 11.193 23.127 -0.668 1.00 0.00 C ATOM 305 OH TYR A 23 11.746 24.162 -1.387 1.00 0.00 O ATOM 0 H TYR A 23 9.061 18.503 -0.477 1.00 0.00 H new ATOM 0 HA TYR A 23 11.214 18.652 1.465 1.00 0.00 H new ATOM 0 HB2 TYR A 23 8.408 19.822 1.329 1.00 0.00 H new ATOM 0 HB3 TYR A 23 9.530 20.132 2.639 1.00 0.00 H new ATOM 0 HD1 TYR A 23 9.094 20.527 -1.045 1.00 0.00 H new ATOM 0 HD2 TYR A 23 11.199 21.815 2.428 1.00 0.00 H new ATOM 0 HE1 TYR A 23 10.083 22.371 -2.330 1.00 0.00 H new ATOM 0 HE2 TYR A 23 12.184 23.664 1.148 1.00 0.00 H new ATOM 0 HH TYR A 23 12.332 24.688 -0.804 1.00 0.00 H new ATOM 315 N ASP A 24 8.432 16.981 2.036 1.00 0.00 N ATOM 316 CA ASP A 24 7.821 15.979 2.902 1.00 0.00 C ATOM 317 C ASP A 24 8.556 14.647 2.794 1.00 0.00 C ATOM 318 O ASP A 24 8.434 13.936 1.796 1.00 0.00 O ATOM 319 CB ASP A 24 6.346 15.793 2.540 1.00 0.00 C ATOM 320 CG ASP A 24 5.532 15.246 3.696 1.00 0.00 C ATOM 321 OD1 ASP A 24 6.097 14.492 4.515 1.00 0.00 O ATOM 322 OD2 ASP A 24 4.329 15.572 3.781 1.00 0.00 O ATOM 0 H ASP A 24 7.875 17.227 1.218 1.00 0.00 H new ATOM 0 HA ASP A 24 7.893 16.331 3.931 1.00 0.00 H new ATOM 0 HB2 ASP A 24 5.928 16.749 2.226 1.00 0.00 H new ATOM 0 HB3 ASP A 24 6.266 15.115 1.690 1.00 0.00 H new ATOM 327 N THR A 25 9.321 14.314 3.829 1.00 0.00 N ATOM 328 CA THR A 25 10.078 13.068 3.850 1.00 0.00 C ATOM 329 C THR A 25 9.196 11.896 4.265 1.00 0.00 C ATOM 330 O THR A 25 9.252 10.822 3.665 1.00 0.00 O ATOM 331 CB THR A 25 11.279 13.157 4.811 1.00 0.00 C ATOM 332 OG1 THR A 25 10.836 13.551 6.114 1.00 0.00 O ATOM 333 CG2 THR A 25 12.309 14.152 4.298 1.00 0.00 C ATOM 0 H THR A 25 9.433 14.890 4.664 1.00 0.00 H new ATOM 0 HA THR A 25 10.444 12.903 2.837 1.00 0.00 H new ATOM 0 HB THR A 25 11.744 12.173 4.868 1.00 0.00 H new ATOM 0 HG1 THR A 25 11.605 13.603 6.719 1.00 0.00 H new ATOM 0 HG21 THR A 25 13.148 14.198 4.993 1.00 0.00 H new ATOM 0 HG22 THR A 25 12.666 13.834 3.319 1.00 0.00 H new ATOM 0 HG23 THR A 25 11.852 15.138 4.215 1.00 0.00 H new ATOM 341 N ASP A 26 8.381 12.109 5.292 1.00 0.00 N ATOM 342 CA ASP A 26 7.485 11.070 5.786 1.00 0.00 C ATOM 343 C ASP A 26 6.713 10.427 4.638 1.00 0.00 C ATOM 344 O ASP A 26 6.627 9.203 4.543 1.00 0.00 O ATOM 345 CB ASP A 26 6.510 11.652 6.810 1.00 0.00 C ATOM 346 CG ASP A 26 7.107 11.725 8.202 1.00 0.00 C ATOM 347 OD1 ASP A 26 8.032 12.538 8.408 1.00 0.00 O ATOM 348 OD2 ASP A 26 6.650 10.969 9.085 1.00 0.00 O ATOM 0 H ASP A 26 8.322 12.992 5.799 1.00 0.00 H new ATOM 0 HA ASP A 26 8.090 10.302 6.268 1.00 0.00 H new ATOM 0 HB2 ASP A 26 6.209 12.651 6.494 1.00 0.00 H new ATOM 0 HB3 ASP A 26 5.608 11.041 6.836 1.00 0.00 H new ATOM 353 N SER A 27 6.153 11.262 3.768 1.00 0.00 N ATOM 354 CA SER A 27 5.384 10.776 2.629 1.00 0.00 C ATOM 355 C SER A 27 6.214 9.815 1.783 1.00 0.00 C ATOM 356 O SER A 27 7.237 10.197 1.212 1.00 0.00 O ATOM 357 CB SER A 27 4.908 11.949 1.770 1.00 0.00 C ATOM 358 OG SER A 27 4.146 12.866 2.536 1.00 0.00 O ATOM 0 H SER A 27 6.218 12.278 3.831 1.00 0.00 H new ATOM 0 HA SER A 27 4.516 10.239 3.011 1.00 0.00 H new ATOM 0 HB2 SER A 27 5.768 12.459 1.337 1.00 0.00 H new ATOM 0 HB3 SER A 27 4.307 11.576 0.940 1.00 0.00 H new ATOM 0 HG SER A 27 3.855 13.607 1.965 1.00 0.00 H new ATOM 364 N LEU A 28 5.767 8.567 1.706 1.00 0.00 N ATOM 365 CA LEU A 28 6.467 7.549 0.930 1.00 0.00 C ATOM 366 C LEU A 28 6.179 7.706 -0.559 1.00 0.00 C ATOM 367 O LEU A 28 5.214 8.363 -0.950 1.00 0.00 O ATOM 368 CB LEU A 28 6.056 6.152 1.396 1.00 0.00 C ATOM 369 CG LEU A 28 6.329 5.827 2.865 1.00 0.00 C ATOM 370 CD1 LEU A 28 5.612 4.549 3.271 1.00 0.00 C ATOM 371 CD2 LEU A 28 7.825 5.704 3.116 1.00 0.00 C ATOM 0 H LEU A 28 4.922 8.235 2.172 1.00 0.00 H new ATOM 0 HA LEU A 28 7.537 7.678 1.090 1.00 0.00 H new ATOM 0 HB2 LEU A 28 4.989 6.028 1.209 1.00 0.00 H new ATOM 0 HB3 LEU A 28 6.575 5.418 0.780 1.00 0.00 H new ATOM 0 HG LEU A 28 5.945 6.645 3.475 1.00 0.00 H new ATOM 0 HD11 LEU A 28 5.818 4.334 4.319 1.00 0.00 H new ATOM 0 HD12 LEU A 28 4.538 4.674 3.130 1.00 0.00 H new ATOM 0 HD13 LEU A 28 5.965 3.722 2.655 1.00 0.00 H new ATOM 0 HD21 LEU A 28 8.000 5.473 4.167 1.00 0.00 H new ATOM 0 HD22 LEU A 28 8.234 4.906 2.496 1.00 0.00 H new ATOM 0 HD23 LEU A 28 8.315 6.645 2.866 1.00 0.00 H new ATOM 383 N LYS A 29 7.021 7.098 -1.387 1.00 0.00 N ATOM 384 CA LYS A 29 6.856 7.166 -2.834 1.00 0.00 C ATOM 385 C LYS A 29 6.154 5.918 -3.361 1.00 0.00 C ATOM 386 O LYS A 29 6.719 4.824 -3.350 1.00 0.00 O ATOM 387 CB LYS A 29 8.217 7.325 -3.516 1.00 0.00 C ATOM 388 CG LYS A 29 8.132 7.925 -4.909 1.00 0.00 C ATOM 389 CD LYS A 29 9.442 8.581 -5.314 1.00 0.00 C ATOM 390 CE LYS A 29 9.547 9.997 -4.768 1.00 0.00 C ATOM 391 NZ LYS A 29 10.061 10.016 -3.371 1.00 0.00 N ATOM 0 H LYS A 29 7.826 6.552 -1.080 1.00 0.00 H new ATOM 0 HA LYS A 29 6.238 8.034 -3.064 1.00 0.00 H new ATOM 0 HB2 LYS A 29 8.853 7.956 -2.896 1.00 0.00 H new ATOM 0 HB3 LYS A 29 8.699 6.349 -3.578 1.00 0.00 H new ATOM 0 HG2 LYS A 29 7.877 7.146 -5.627 1.00 0.00 H new ATOM 0 HG3 LYS A 29 7.330 8.662 -4.940 1.00 0.00 H new ATOM 0 HD2 LYS A 29 10.278 7.985 -4.947 1.00 0.00 H new ATOM 0 HD3 LYS A 29 9.519 8.602 -6.401 1.00 0.00 H new ATOM 0 HE2 LYS A 29 10.208 10.584 -5.406 1.00 0.00 H new ATOM 0 HE3 LYS A 29 8.567 10.472 -4.801 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 10.696 10.830 -3.246 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 9.263 10.095 -2.709 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 10.583 9.137 -3.181 1.00 0.00 H new ATOM 405 N LEU A 30 4.921 6.090 -3.824 1.00 0.00 N ATOM 406 CA LEU A 30 4.142 4.978 -4.357 1.00 0.00 C ATOM 407 C LEU A 30 4.311 4.870 -5.869 1.00 0.00 C ATOM 408 O LEU A 30 4.164 5.855 -6.593 1.00 0.00 O ATOM 409 CB LEU A 30 2.663 5.153 -4.009 1.00 0.00 C ATOM 410 CG LEU A 30 2.349 5.451 -2.543 1.00 0.00 C ATOM 411 CD1 LEU A 30 0.886 5.833 -2.377 1.00 0.00 C ATOM 412 CD2 LEU A 30 2.692 4.253 -1.669 1.00 0.00 C ATOM 0 H LEU A 30 4.439 6.989 -3.841 1.00 0.00 H new ATOM 0 HA LEU A 30 4.510 4.058 -3.902 1.00 0.00 H new ATOM 0 HB2 LEU A 30 2.261 5.963 -4.618 1.00 0.00 H new ATOM 0 HB3 LEU A 30 2.133 4.245 -4.296 1.00 0.00 H new ATOM 0 HG LEU A 30 2.962 6.294 -2.225 1.00 0.00 H new ATOM 0 HD11 LEU A 30 0.681 6.042 -1.327 1.00 0.00 H new ATOM 0 HD12 LEU A 30 0.672 6.721 -2.972 1.00 0.00 H new ATOM 0 HD13 LEU A 30 0.255 5.010 -2.713 1.00 0.00 H new ATOM 0 HD21 LEU A 30 2.462 4.484 -0.629 1.00 0.00 H new ATOM 0 HD22 LEU A 30 2.106 3.391 -1.988 1.00 0.00 H new ATOM 0 HD23 LEU A 30 3.754 4.026 -1.764 1.00 0.00 H new ATOM 424 N LYS A 31 4.618 3.667 -6.341 1.00 0.00 N ATOM 425 CA LYS A 31 4.804 3.428 -7.767 1.00 0.00 C ATOM 426 C LYS A 31 3.990 2.222 -8.227 1.00 0.00 C ATOM 427 O LYS A 31 3.888 1.222 -7.517 1.00 0.00 O ATOM 428 CB LYS A 31 6.286 3.205 -8.079 1.00 0.00 C ATOM 429 CG LYS A 31 6.670 3.575 -9.501 1.00 0.00 C ATOM 430 CD LYS A 31 6.437 2.419 -10.460 1.00 0.00 C ATOM 431 CE LYS A 31 7.572 1.409 -10.402 1.00 0.00 C ATOM 432 NZ LYS A 31 8.746 1.847 -11.208 1.00 0.00 N ATOM 0 H LYS A 31 4.743 2.841 -5.756 1.00 0.00 H new ATOM 0 HA LYS A 31 4.454 4.308 -8.306 1.00 0.00 H new ATOM 0 HB2 LYS A 31 6.887 3.792 -7.385 1.00 0.00 H new ATOM 0 HB3 LYS A 31 6.531 2.157 -7.906 1.00 0.00 H new ATOM 0 HG2 LYS A 31 6.088 4.439 -9.823 1.00 0.00 H new ATOM 0 HG3 LYS A 31 7.719 3.868 -9.531 1.00 0.00 H new ATOM 0 HD2 LYS A 31 5.497 1.925 -10.215 1.00 0.00 H new ATOM 0 HD3 LYS A 31 6.341 2.802 -11.476 1.00 0.00 H new ATOM 0 HE2 LYS A 31 7.877 1.264 -9.366 1.00 0.00 H new ATOM 0 HE3 LYS A 31 7.219 0.445 -10.768 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 9.498 1.132 -11.143 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 8.462 1.961 -12.202 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 9.099 2.755 -10.843 1.00 0.00 H new ATOM 446 N LYS A 32 3.414 2.324 -9.420 1.00 0.00 N ATOM 447 CA LYS A 32 2.612 1.242 -9.977 1.00 0.00 C ATOM 448 C LYS A 32 3.395 -0.067 -9.987 1.00 0.00 C ATOM 449 O LYS A 32 4.282 -0.265 -10.816 1.00 0.00 O ATOM 450 CB LYS A 32 2.164 1.591 -11.398 1.00 0.00 C ATOM 451 CG LYS A 32 0.944 0.813 -11.860 1.00 0.00 C ATOM 452 CD LYS A 32 0.406 1.348 -13.176 1.00 0.00 C ATOM 453 CE LYS A 32 1.176 0.788 -14.362 1.00 0.00 C ATOM 454 NZ LYS A 32 0.803 1.464 -15.635 1.00 0.00 N ATOM 0 H LYS A 32 3.488 3.146 -10.020 1.00 0.00 H new ATOM 0 HA LYS A 32 1.732 1.114 -9.346 1.00 0.00 H new ATOM 0 HB2 LYS A 32 1.945 2.658 -11.449 1.00 0.00 H new ATOM 0 HB3 LYS A 32 2.988 1.401 -12.086 1.00 0.00 H new ATOM 0 HG2 LYS A 32 1.204 -0.239 -11.973 1.00 0.00 H new ATOM 0 HG3 LYS A 32 0.166 0.869 -11.098 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -0.649 1.090 -13.271 1.00 0.00 H new ATOM 0 HD3 LYS A 32 0.469 2.436 -13.181 1.00 0.00 H new ATOM 0 HE2 LYS A 32 2.246 0.905 -14.188 1.00 0.00 H new ATOM 0 HE3 LYS A 32 0.982 -0.281 -14.448 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 1.350 1.054 -16.419 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -0.213 1.331 -15.814 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 1.011 2.480 -15.562 1.00 0.00 H new ATOM 468 N GLY A 33 3.060 -0.960 -9.060 1.00 0.00 N ATOM 469 CA GLY A 33 3.741 -2.239 -8.981 1.00 0.00 C ATOM 470 C GLY A 33 4.716 -2.306 -7.822 1.00 0.00 C ATOM 471 O GLY A 33 5.839 -2.787 -7.974 1.00 0.00 O ATOM 0 H GLY A 33 2.329 -0.820 -8.362 1.00 0.00 H new ATOM 0 HA2 GLY A 33 3.003 -3.034 -8.877 1.00 0.00 H new ATOM 0 HA3 GLY A 33 4.276 -2.420 -9.913 1.00 0.00 H new ATOM 475 N ASP A 34 4.288 -1.820 -6.662 1.00 0.00 N ATOM 476 CA ASP A 34 5.132 -1.826 -5.473 1.00 0.00 C ATOM 477 C ASP A 34 4.369 -2.369 -4.268 1.00 0.00 C ATOM 478 O ASP A 34 3.201 -2.038 -4.061 1.00 0.00 O ATOM 479 CB ASP A 34 5.642 -0.415 -5.176 1.00 0.00 C ATOM 480 CG ASP A 34 6.710 0.032 -6.155 1.00 0.00 C ATOM 481 OD1 ASP A 34 6.730 -0.489 -7.289 1.00 0.00 O ATOM 482 OD2 ASP A 34 7.526 0.903 -5.786 1.00 0.00 O ATOM 0 H ASP A 34 3.362 -1.417 -6.520 1.00 0.00 H new ATOM 0 HA ASP A 34 5.984 -2.478 -5.665 1.00 0.00 H new ATOM 0 HB2 ASP A 34 4.807 0.285 -5.209 1.00 0.00 H new ATOM 0 HB3 ASP A 34 6.045 -0.383 -4.164 1.00 0.00 H new ATOM 487 N ILE A 35 5.037 -3.203 -3.478 1.00 0.00 N ATOM 488 CA ILE A 35 4.421 -3.791 -2.295 1.00 0.00 C ATOM 489 C ILE A 35 4.706 -2.952 -1.053 1.00 0.00 C ATOM 490 O ILE A 35 5.754 -2.314 -0.950 1.00 0.00 O ATOM 491 CB ILE A 35 4.921 -5.228 -2.055 1.00 0.00 C ATOM 492 CG1 ILE A 35 4.576 -6.117 -3.252 1.00 0.00 C ATOM 493 CG2 ILE A 35 4.318 -5.792 -0.778 1.00 0.00 C ATOM 494 CD1 ILE A 35 3.089 -6.245 -3.501 1.00 0.00 C ATOM 0 H ILE A 35 6.004 -3.486 -3.636 1.00 0.00 H new ATOM 0 HA ILE A 35 3.347 -3.814 -2.477 1.00 0.00 H new ATOM 0 HB ILE A 35 6.005 -5.206 -1.943 1.00 0.00 H new ATOM 0 HG12 ILE A 35 5.052 -5.711 -4.145 1.00 0.00 H new ATOM 0 HG13 ILE A 35 4.996 -7.110 -3.090 1.00 0.00 H new ATOM 0 HG21 ILE A 35 4.681 -6.808 -0.622 1.00 0.00 H new ATOM 0 HG22 ILE A 35 4.609 -5.169 0.068 1.00 0.00 H new ATOM 0 HG23 ILE A 35 3.231 -5.804 -0.863 1.00 0.00 H new ATOM 0 HD11 ILE A 35 2.919 -6.889 -4.364 1.00 0.00 H new ATOM 0 HD12 ILE A 35 2.609 -6.679 -2.624 1.00 0.00 H new ATOM 0 HD13 ILE A 35 2.666 -5.259 -3.695 1.00 0.00 H new ATOM 506 N ILE A 36 3.767 -2.960 -0.113 1.00 0.00 N ATOM 507 CA ILE A 36 3.919 -2.202 1.123 1.00 0.00 C ATOM 508 C ILE A 36 3.486 -3.027 2.330 1.00 0.00 C ATOM 509 O ILE A 36 2.379 -3.566 2.362 1.00 0.00 O ATOM 510 CB ILE A 36 3.101 -0.897 1.087 1.00 0.00 C ATOM 511 CG1 ILE A 36 3.455 -0.082 -0.158 1.00 0.00 C ATOM 512 CG2 ILE A 36 3.348 -0.083 2.348 1.00 0.00 C ATOM 513 CD1 ILE A 36 2.539 1.100 -0.387 1.00 0.00 C ATOM 0 H ILE A 36 2.894 -3.482 -0.183 1.00 0.00 H new ATOM 0 HA ILE A 36 4.977 -1.956 1.215 1.00 0.00 H new ATOM 0 HB ILE A 36 2.042 -1.150 1.043 1.00 0.00 H new ATOM 0 HG12 ILE A 36 4.481 0.276 -0.069 1.00 0.00 H new ATOM 0 HG13 ILE A 36 3.419 -0.734 -1.031 1.00 0.00 H new ATOM 0 HG21 ILE A 36 2.763 0.836 2.308 1.00 0.00 H new ATOM 0 HG22 ILE A 36 3.051 -0.665 3.221 1.00 0.00 H new ATOM 0 HG23 ILE A 36 4.407 0.164 2.420 1.00 0.00 H new ATOM 0 HD11 ILE A 36 2.849 1.632 -1.287 1.00 0.00 H new ATOM 0 HD12 ILE A 36 1.515 0.748 -0.508 1.00 0.00 H new ATOM 0 HD13 ILE A 36 2.592 1.773 0.469 1.00 0.00 H new ATOM 525 N ASP A 37 4.364 -3.120 3.322 1.00 0.00 N ATOM 526 CA ASP A 37 4.072 -3.877 4.534 1.00 0.00 C ATOM 527 C ASP A 37 3.550 -2.960 5.635 1.00 0.00 C ATOM 528 O ASP A 37 4.321 -2.251 6.283 1.00 0.00 O ATOM 529 CB ASP A 37 5.324 -4.612 5.016 1.00 0.00 C ATOM 530 CG ASP A 37 5.480 -5.975 4.371 1.00 0.00 C ATOM 531 OD1 ASP A 37 4.704 -6.889 4.721 1.00 0.00 O ATOM 532 OD2 ASP A 37 6.378 -6.129 3.517 1.00 0.00 O ATOM 0 H ASP A 37 5.284 -2.681 3.311 1.00 0.00 H new ATOM 0 HA ASP A 37 3.299 -4.608 4.298 1.00 0.00 H new ATOM 0 HB2 ASP A 37 6.204 -4.007 4.797 1.00 0.00 H new ATOM 0 HB3 ASP A 37 5.279 -4.729 6.099 1.00 0.00 H new ATOM 537 N ILE A 38 2.237 -2.978 5.840 1.00 0.00 N ATOM 538 CA ILE A 38 1.613 -2.148 6.863 1.00 0.00 C ATOM 539 C ILE A 38 2.003 -2.613 8.262 1.00 0.00 C ATOM 540 O ILE A 38 1.670 -3.725 8.673 1.00 0.00 O ATOM 541 CB ILE A 38 0.078 -2.162 6.739 1.00 0.00 C ATOM 542 CG1 ILE A 38 -0.343 -1.823 5.307 1.00 0.00 C ATOM 543 CG2 ILE A 38 -0.542 -1.183 7.725 1.00 0.00 C ATOM 544 CD1 ILE A 38 -1.799 -2.117 5.020 1.00 0.00 C ATOM 0 H ILE A 38 1.585 -3.558 5.311 1.00 0.00 H new ATOM 0 HA ILE A 38 1.973 -1.131 6.708 1.00 0.00 H new ATOM 0 HB ILE A 38 -0.282 -3.163 6.976 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -0.150 -0.766 5.121 1.00 0.00 H new ATOM 0 HG13 ILE A 38 0.277 -2.388 4.611 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -1.627 -1.204 7.625 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -0.265 -1.465 8.741 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -0.178 -0.177 7.516 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -2.027 -1.853 3.987 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -1.993 -3.178 5.174 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -2.428 -1.532 5.691 1.00 0.00 H new ATOM 556 N ILE A 39 2.708 -1.754 8.989 1.00 0.00 N ATOM 557 CA ILE A 39 3.141 -2.075 10.344 1.00 0.00 C ATOM 558 C ILE A 39 2.028 -1.813 11.353 1.00 0.00 C ATOM 559 O ILE A 39 1.781 -2.626 12.244 1.00 0.00 O ATOM 560 CB ILE A 39 4.385 -1.261 10.745 1.00 0.00 C ATOM 561 CG1 ILE A 39 5.584 -1.661 9.882 1.00 0.00 C ATOM 562 CG2 ILE A 39 4.697 -1.464 12.220 1.00 0.00 C ATOM 563 CD1 ILE A 39 5.823 -0.731 8.713 1.00 0.00 C ATOM 0 H ILE A 39 2.992 -0.830 8.663 1.00 0.00 H new ATOM 0 HA ILE A 39 3.393 -3.135 10.352 1.00 0.00 H new ATOM 0 HB ILE A 39 4.178 -0.204 10.579 1.00 0.00 H new ATOM 0 HG12 ILE A 39 6.478 -1.686 10.505 1.00 0.00 H new ATOM 0 HG13 ILE A 39 5.430 -2.672 9.506 1.00 0.00 H new ATOM 0 HG21 ILE A 39 5.579 -0.882 12.489 1.00 0.00 H new ATOM 0 HG22 ILE A 39 3.849 -1.135 12.820 1.00 0.00 H new ATOM 0 HG23 ILE A 39 4.887 -2.520 12.410 1.00 0.00 H new ATOM 0 HD11 ILE A 39 6.688 -1.075 8.145 1.00 0.00 H new ATOM 0 HD12 ILE A 39 4.945 -0.724 8.068 1.00 0.00 H new ATOM 0 HD13 ILE A 39 6.009 0.277 9.082 1.00 0.00 H new ATOM 575 N SER A 40 1.359 -0.674 11.206 1.00 0.00 N ATOM 576 CA SER A 40 0.274 -0.304 12.105 1.00 0.00 C ATOM 577 C SER A 40 -0.781 0.521 11.374 1.00 0.00 C ATOM 578 O SER A 40 -0.479 1.567 10.798 1.00 0.00 O ATOM 579 CB SER A 40 0.818 0.486 13.298 1.00 0.00 C ATOM 580 OG SER A 40 1.308 -0.384 14.304 1.00 0.00 O ATOM 0 H SER A 40 1.550 0.008 10.472 1.00 0.00 H new ATOM 0 HA SER A 40 -0.192 -1.220 12.467 1.00 0.00 H new ATOM 0 HB2 SER A 40 1.617 1.149 12.966 1.00 0.00 H new ATOM 0 HB3 SER A 40 0.031 1.117 13.710 1.00 0.00 H new ATOM 0 HG SER A 40 1.478 -1.268 13.917 1.00 0.00 H new ATOM 586 N LYS A 41 -2.020 0.043 11.401 1.00 0.00 N ATOM 587 CA LYS A 41 -3.122 0.735 10.742 1.00 0.00 C ATOM 588 C LYS A 41 -4.232 1.061 11.736 1.00 0.00 C ATOM 589 O LYS A 41 -5.032 0.204 12.114 1.00 0.00 O ATOM 590 CB LYS A 41 -3.680 -0.121 9.602 1.00 0.00 C ATOM 591 CG LYS A 41 -4.115 -1.508 10.040 1.00 0.00 C ATOM 592 CD LYS A 41 -4.315 -2.432 8.850 1.00 0.00 C ATOM 593 CE LYS A 41 -5.578 -2.082 8.078 1.00 0.00 C ATOM 594 NZ LYS A 41 -6.793 -2.666 8.710 1.00 0.00 N ATOM 0 H LYS A 41 -2.287 -0.821 11.872 1.00 0.00 H new ATOM 0 HA LYS A 41 -2.738 1.670 10.333 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -4.531 0.393 9.156 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -2.921 -0.216 8.825 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -3.365 -1.931 10.708 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -5.043 -1.437 10.607 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -3.452 -2.365 8.187 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -4.373 -3.464 9.195 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -5.682 -0.998 8.024 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -5.491 -2.446 7.054 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -7.633 -2.405 8.155 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -6.705 -3.702 8.739 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -6.891 -2.299 9.678 1.00 0.00 H new ATOM 608 N PRO A 42 -4.285 2.329 12.170 1.00 0.00 N ATOM 609 CA PRO A 42 -5.294 2.798 13.125 1.00 0.00 C ATOM 610 C PRO A 42 -6.691 2.845 12.515 1.00 0.00 C ATOM 611 O PRO A 42 -6.873 2.689 11.307 1.00 0.00 O ATOM 612 CB PRO A 42 -4.817 4.208 13.480 1.00 0.00 C ATOM 613 CG PRO A 42 -4.015 4.645 12.303 1.00 0.00 C ATOM 614 CD PRO A 42 -3.364 3.403 11.762 1.00 0.00 C ATOM 0 HA PRO A 42 -5.382 2.134 13.985 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -5.659 4.878 13.656 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -4.216 4.205 14.389 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -4.650 5.113 11.550 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -3.267 5.383 12.593 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -3.253 3.447 10.679 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -2.367 3.258 12.179 1.00 0.00 H new ATOM 622 N PRO A 43 -7.702 3.066 13.368 1.00 0.00 N ATOM 623 CA PRO A 43 -9.101 3.140 12.935 1.00 0.00 C ATOM 624 C PRO A 43 -9.388 4.393 12.115 1.00 0.00 C ATOM 625 O PRO A 43 -10.505 4.591 11.637 1.00 0.00 O ATOM 626 CB PRO A 43 -9.879 3.172 14.252 1.00 0.00 C ATOM 627 CG PRO A 43 -8.921 3.735 15.244 1.00 0.00 C ATOM 628 CD PRO A 43 -7.559 3.260 14.820 1.00 0.00 C ATOM 0 HA PRO A 43 -9.371 2.308 12.285 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -10.772 3.791 14.169 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -10.208 2.174 14.542 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -8.968 4.824 15.257 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -9.157 3.394 16.252 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -6.787 3.993 15.053 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -7.282 2.334 15.324 1.00 0.00 H new ATOM 636 N MET A 44 -8.374 5.237 11.957 1.00 0.00 N ATOM 637 CA MET A 44 -8.518 6.471 11.194 1.00 0.00 C ATOM 638 C MET A 44 -7.157 7.100 10.914 1.00 0.00 C ATOM 639 O MET A 44 -6.210 6.919 11.678 1.00 0.00 O ATOM 640 CB MET A 44 -9.406 7.462 11.949 1.00 0.00 C ATOM 641 CG MET A 44 -9.594 8.785 11.224 1.00 0.00 C ATOM 642 SD MET A 44 -10.515 9.988 12.201 1.00 0.00 S ATOM 643 CE MET A 44 -9.179 10.977 12.868 1.00 0.00 C ATOM 0 H MET A 44 -7.443 5.089 12.347 1.00 0.00 H new ATOM 0 HA MET A 44 -8.988 6.227 10.241 1.00 0.00 H new ATOM 0 HB2 MET A 44 -10.382 7.007 12.117 1.00 0.00 H new ATOM 0 HB3 MET A 44 -8.970 7.653 12.930 1.00 0.00 H new ATOM 0 HG2 MET A 44 -8.618 9.199 10.972 1.00 0.00 H new ATOM 0 HG3 MET A 44 -10.118 8.609 10.284 1.00 0.00 H new ATOM 0 HE1 MET A 44 -9.590 11.767 13.497 1.00 0.00 H new ATOM 0 HE2 MET A 44 -8.520 10.345 13.463 1.00 0.00 H new ATOM 0 HE3 MET A 44 -8.612 11.422 12.050 1.00 0.00 H new ATOM 653 N GLY A 45 -7.067 7.840 9.813 1.00 0.00 N ATOM 654 CA GLY A 45 -5.817 8.483 9.452 1.00 0.00 C ATOM 655 C GLY A 45 -5.007 7.666 8.466 1.00 0.00 C ATOM 656 O GLY A 45 -5.410 6.569 8.078 1.00 0.00 O ATOM 0 H GLY A 45 -7.837 8.006 9.165 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -6.027 9.462 9.021 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -5.225 8.651 10.352 1.00 0.00 H new ATOM 660 N THR A 46 -3.861 8.200 8.057 1.00 0.00 N ATOM 661 CA THR A 46 -2.993 7.514 7.108 1.00 0.00 C ATOM 662 C THR A 46 -2.451 6.217 7.696 1.00 0.00 C ATOM 663 O THR A 46 -2.407 6.048 8.915 1.00 0.00 O ATOM 664 CB THR A 46 -1.811 8.405 6.682 1.00 0.00 C ATOM 665 OG1 THR A 46 -1.291 9.106 7.817 1.00 0.00 O ATOM 666 CG2 THR A 46 -2.241 9.403 5.617 1.00 0.00 C ATOM 0 H THR A 46 -3.512 9.106 8.368 1.00 0.00 H new ATOM 0 HA THR A 46 -3.601 7.286 6.232 1.00 0.00 H new ATOM 0 HB THR A 46 -1.035 7.764 6.264 1.00 0.00 H new ATOM 0 HG1 THR A 46 -0.539 9.669 7.538 1.00 0.00 H new ATOM 0 HG21 THR A 46 -1.389 10.021 5.332 1.00 0.00 H new ATOM 0 HG22 THR A 46 -2.608 8.866 4.742 1.00 0.00 H new ATOM 0 HG23 THR A 46 -3.034 10.038 6.012 1.00 0.00 H new ATOM 674 N TRP A 47 -2.038 5.304 6.824 1.00 0.00 N ATOM 675 CA TRP A 47 -1.497 4.022 7.259 1.00 0.00 C ATOM 676 C TRP A 47 0.027 4.032 7.220 1.00 0.00 C ATOM 677 O TRP A 47 0.630 4.696 6.378 1.00 0.00 O ATOM 678 CB TRP A 47 -2.035 2.893 6.378 1.00 0.00 C ATOM 679 CG TRP A 47 -3.435 2.485 6.724 1.00 0.00 C ATOM 680 CD1 TRP A 47 -4.093 2.726 7.897 1.00 0.00 C ATOM 681 CD2 TRP A 47 -4.348 1.763 5.891 1.00 0.00 C ATOM 682 NE1 TRP A 47 -5.360 2.197 7.842 1.00 0.00 N ATOM 683 CE2 TRP A 47 -5.541 1.601 6.622 1.00 0.00 C ATOM 684 CE3 TRP A 47 -4.275 1.238 4.597 1.00 0.00 C ATOM 685 CZ2 TRP A 47 -6.649 0.937 6.102 1.00 0.00 C ATOM 686 CZ3 TRP A 47 -5.375 0.579 4.083 1.00 0.00 C ATOM 687 CH2 TRP A 47 -6.549 0.433 4.833 1.00 0.00 C ATOM 0 H TRP A 47 -2.068 5.428 5.812 1.00 0.00 H new ATOM 0 HA TRP A 47 -1.814 3.853 8.288 1.00 0.00 H new ATOM 0 HB2 TRP A 47 -2.004 3.209 5.335 1.00 0.00 H new ATOM 0 HB3 TRP A 47 -1.379 2.027 6.469 1.00 0.00 H new ATOM 0 HD1 TRP A 47 -3.678 3.254 8.743 1.00 0.00 H new ATOM 0 HE1 TRP A 47 -6.053 2.241 8.589 1.00 0.00 H new ATOM 0 HE3 TRP A 47 -3.375 1.346 4.010 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 -7.555 0.824 6.679 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 -5.329 0.169 3.085 1.00 0.00 H new ATOM 0 HH2 TRP A 47 -7.392 -0.087 4.402 1.00 0.00 H new ATOM 698 N MET A 48 0.643 3.291 8.135 1.00 0.00 N ATOM 699 CA MET A 48 2.098 3.215 8.203 1.00 0.00 C ATOM 700 C MET A 48 2.593 1.850 7.734 1.00 0.00 C ATOM 701 O MET A 48 2.286 0.825 8.343 1.00 0.00 O ATOM 702 CB MET A 48 2.578 3.482 9.630 1.00 0.00 C ATOM 703 CG MET A 48 4.075 3.292 9.814 1.00 0.00 C ATOM 704 SD MET A 48 4.609 3.578 11.512 1.00 0.00 S ATOM 705 CE MET A 48 4.754 5.364 11.524 1.00 0.00 C ATOM 0 H MET A 48 0.158 2.735 8.839 1.00 0.00 H new ATOM 0 HA MET A 48 2.508 3.978 7.541 1.00 0.00 H new ATOM 0 HB2 MET A 48 2.313 4.502 9.909 1.00 0.00 H new ATOM 0 HB3 MET A 48 2.049 2.817 10.313 1.00 0.00 H new ATOM 0 HG2 MET A 48 4.348 2.279 9.517 1.00 0.00 H new ATOM 0 HG3 MET A 48 4.608 3.973 9.150 1.00 0.00 H new ATOM 0 HE1 MET A 48 5.077 5.696 12.511 1.00 0.00 H new ATOM 0 HE2 MET A 48 5.486 5.675 10.778 1.00 0.00 H new ATOM 0 HE3 MET A 48 3.787 5.809 11.290 1.00 0.00 H new ATOM 715 N GLY A 49 3.361 1.844 6.649 1.00 0.00 N ATOM 716 CA GLY A 49 3.885 0.599 6.118 1.00 0.00 C ATOM 717 C GLY A 49 5.286 0.752 5.560 1.00 0.00 C ATOM 718 O GLY A 49 5.668 1.831 5.106 1.00 0.00 O ATOM 0 H GLY A 49 3.630 2.679 6.128 1.00 0.00 H new ATOM 0 HA2 GLY A 49 3.891 -0.155 6.906 1.00 0.00 H new ATOM 0 HA3 GLY A 49 3.222 0.235 5.333 1.00 0.00 H new ATOM 722 N LEU A 50 6.055 -0.331 5.593 1.00 0.00 N ATOM 723 CA LEU A 50 7.424 -0.313 5.088 1.00 0.00 C ATOM 724 C LEU A 50 7.468 -0.731 3.622 1.00 0.00 C ATOM 725 O LEU A 50 7.359 -1.914 3.299 1.00 0.00 O ATOM 726 CB LEU A 50 8.308 -1.242 5.922 1.00 0.00 C ATOM 727 CG LEU A 50 9.809 -1.173 5.638 1.00 0.00 C ATOM 728 CD1 LEU A 50 10.446 -0.026 6.408 1.00 0.00 C ATOM 729 CD2 LEU A 50 10.480 -2.492 5.991 1.00 0.00 C ATOM 0 H LEU A 50 5.754 -1.232 5.964 1.00 0.00 H new ATOM 0 HA LEU A 50 7.802 0.706 5.168 1.00 0.00 H new ATOM 0 HB2 LEU A 50 8.147 -1.015 6.976 1.00 0.00 H new ATOM 0 HB3 LEU A 50 7.975 -2.268 5.763 1.00 0.00 H new ATOM 0 HG LEU A 50 9.949 -0.991 4.573 1.00 0.00 H new ATOM 0 HD11 LEU A 50 11.514 0.007 6.193 1.00 0.00 H new ATOM 0 HD12 LEU A 50 9.986 0.915 6.106 1.00 0.00 H new ATOM 0 HD13 LEU A 50 10.295 -0.177 7.477 1.00 0.00 H new ATOM 0 HD21 LEU A 50 11.548 -2.424 5.782 1.00 0.00 H new ATOM 0 HD22 LEU A 50 10.330 -2.705 7.049 1.00 0.00 H new ATOM 0 HD23 LEU A 50 10.044 -3.293 5.394 1.00 0.00 H new ATOM 741 N LEU A 51 7.632 0.248 2.738 1.00 0.00 N ATOM 742 CA LEU A 51 7.694 -0.018 1.305 1.00 0.00 C ATOM 743 C LEU A 51 9.139 -0.039 0.817 1.00 0.00 C ATOM 744 O LEU A 51 9.827 0.981 0.841 1.00 0.00 O ATOM 745 CB LEU A 51 6.899 1.039 0.536 1.00 0.00 C ATOM 746 CG LEU A 51 6.684 0.764 -0.953 1.00 0.00 C ATOM 747 CD1 LEU A 51 5.886 1.889 -1.593 1.00 0.00 C ATOM 748 CD2 LEU A 51 8.019 0.586 -1.661 1.00 0.00 C ATOM 0 H LEU A 51 7.724 1.232 2.989 1.00 0.00 H new ATOM 0 HA LEU A 51 7.254 -0.999 1.123 1.00 0.00 H new ATOM 0 HB2 LEU A 51 5.923 1.147 1.010 1.00 0.00 H new ATOM 0 HB3 LEU A 51 7.411 1.996 0.638 1.00 0.00 H new ATOM 0 HG LEU A 51 6.116 -0.161 -1.054 1.00 0.00 H new ATOM 0 HD11 LEU A 51 5.743 1.676 -2.652 1.00 0.00 H new ATOM 0 HD12 LEU A 51 4.915 1.970 -1.104 1.00 0.00 H new ATOM 0 HD13 LEU A 51 6.428 2.828 -1.482 1.00 0.00 H new ATOM 0 HD21 LEU A 51 7.846 0.391 -2.719 1.00 0.00 H new ATOM 0 HD22 LEU A 51 8.613 1.493 -1.551 1.00 0.00 H new ATOM 0 HD23 LEU A 51 8.555 -0.254 -1.220 1.00 0.00 H new ATOM 760 N ASN A 52 9.591 -1.207 0.373 1.00 0.00 N ATOM 761 CA ASN A 52 10.954 -1.360 -0.123 1.00 0.00 C ATOM 762 C ASN A 52 11.964 -0.828 0.889 1.00 0.00 C ATOM 763 O ASN A 52 12.869 -0.072 0.539 1.00 0.00 O ATOM 764 CB ASN A 52 11.119 -0.630 -1.457 1.00 0.00 C ATOM 765 CG ASN A 52 10.835 -1.527 -2.646 1.00 0.00 C ATOM 766 OD1 ASN A 52 11.631 -1.607 -3.582 1.00 0.00 O ATOM 767 ND2 ASN A 52 9.695 -2.208 -2.615 1.00 0.00 N ATOM 0 H ASN A 52 9.034 -2.061 0.346 1.00 0.00 H new ATOM 0 HA ASN A 52 11.142 -2.423 -0.273 1.00 0.00 H new ATOM 0 HB2 ASN A 52 10.447 0.228 -1.484 1.00 0.00 H new ATOM 0 HB3 ASN A 52 12.135 -0.242 -1.533 1.00 0.00 H new ATOM 0 HD21 ASN A 52 9.450 -2.828 -3.387 1.00 0.00 H new ATOM 0 HD22 ASN A 52 9.065 -2.111 -1.819 1.00 0.00 H new ATOM 774 N ASN A 53 11.802 -1.229 2.146 1.00 0.00 N ATOM 775 CA ASN A 53 12.699 -0.793 3.209 1.00 0.00 C ATOM 776 C ASN A 53 12.532 0.699 3.484 1.00 0.00 C ATOM 777 O ASN A 53 13.488 1.386 3.847 1.00 0.00 O ATOM 778 CB ASN A 53 14.152 -1.094 2.835 1.00 0.00 C ATOM 779 CG ASN A 53 15.069 -1.111 4.043 1.00 0.00 C ATOM 780 OD1 ASN A 53 16.026 -0.341 4.120 1.00 0.00 O ATOM 781 ND2 ASN A 53 14.779 -1.992 4.994 1.00 0.00 N ATOM 0 H ASN A 53 11.058 -1.855 2.453 1.00 0.00 H new ATOM 0 HA ASN A 53 12.443 -1.343 4.115 1.00 0.00 H new ATOM 0 HB2 ASN A 53 14.202 -2.059 2.331 1.00 0.00 H new ATOM 0 HB3 ASN A 53 14.504 -0.345 2.126 1.00 0.00 H new ATOM 0 HD21 ASN A 53 15.360 -2.049 5.830 1.00 0.00 H new ATOM 0 HD22 ASN A 53 13.975 -2.611 4.888 1.00 0.00 H new ATOM 788 N LYS A 54 11.312 1.194 3.310 1.00 0.00 N ATOM 789 CA LYS A 54 11.017 2.603 3.540 1.00 0.00 C ATOM 790 C LYS A 54 9.643 2.774 4.178 1.00 0.00 C ATOM 791 O LYS A 54 8.617 2.674 3.504 1.00 0.00 O ATOM 792 CB LYS A 54 11.080 3.381 2.223 1.00 0.00 C ATOM 793 CG LYS A 54 10.885 4.878 2.391 1.00 0.00 C ATOM 794 CD LYS A 54 10.437 5.530 1.094 1.00 0.00 C ATOM 795 CE LYS A 54 11.600 5.710 0.130 1.00 0.00 C ATOM 796 NZ LYS A 54 11.190 6.435 -1.105 1.00 0.00 N ATOM 0 H LYS A 54 10.510 0.639 3.010 1.00 0.00 H new ATOM 0 HA LYS A 54 11.768 2.998 4.224 1.00 0.00 H new ATOM 0 HB2 LYS A 54 12.045 3.200 1.749 1.00 0.00 H new ATOM 0 HB3 LYS A 54 10.316 2.997 1.547 1.00 0.00 H new ATOM 0 HG2 LYS A 54 10.144 5.064 3.168 1.00 0.00 H new ATOM 0 HG3 LYS A 54 11.818 5.332 2.725 1.00 0.00 H new ATOM 0 HD2 LYS A 54 9.666 4.918 0.625 1.00 0.00 H new ATOM 0 HD3 LYS A 54 9.988 6.500 1.309 1.00 0.00 H new ATOM 0 HE2 LYS A 54 12.400 6.260 0.625 1.00 0.00 H new ATOM 0 HE3 LYS A 54 12.003 4.734 -0.139 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 12.010 6.537 -1.736 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 10.444 5.898 -1.591 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 10.829 7.377 -0.851 1.00 0.00 H new ATOM 810 N VAL A 55 9.628 3.034 5.482 1.00 0.00 N ATOM 811 CA VAL A 55 8.379 3.222 6.210 1.00 0.00 C ATOM 812 C VAL A 55 8.004 4.698 6.286 1.00 0.00 C ATOM 813 O VAL A 55 8.871 5.566 6.380 1.00 0.00 O ATOM 814 CB VAL A 55 8.472 2.653 7.639 1.00 0.00 C ATOM 815 CG1 VAL A 55 9.649 3.265 8.382 1.00 0.00 C ATOM 816 CG2 VAL A 55 7.172 2.892 8.392 1.00 0.00 C ATOM 0 H VAL A 55 10.467 3.119 6.056 1.00 0.00 H new ATOM 0 HA VAL A 55 7.608 2.682 5.661 1.00 0.00 H new ATOM 0 HB VAL A 55 8.635 1.577 7.574 1.00 0.00 H new ATOM 0 HG11 VAL A 55 9.698 2.851 9.389 1.00 0.00 H new ATOM 0 HG12 VAL A 55 10.573 3.037 7.850 1.00 0.00 H new ATOM 0 HG13 VAL A 55 9.520 4.346 8.440 1.00 0.00 H new ATOM 0 HG21 VAL A 55 7.255 2.484 9.399 1.00 0.00 H new ATOM 0 HG22 VAL A 55 6.976 3.963 8.449 1.00 0.00 H new ATOM 0 HG23 VAL A 55 6.352 2.401 7.868 1.00 0.00 H new ATOM 826 N GLY A 56 6.704 4.975 6.246 1.00 0.00 N ATOM 827 CA GLY A 56 6.236 6.347 6.311 1.00 0.00 C ATOM 828 C GLY A 56 4.726 6.441 6.403 1.00 0.00 C ATOM 829 O GLY A 56 4.105 5.785 7.240 1.00 0.00 O ATOM 0 H GLY A 56 5.967 4.274 6.170 1.00 0.00 H new ATOM 0 HA2 GLY A 56 6.681 6.839 7.176 1.00 0.00 H new ATOM 0 HA3 GLY A 56 6.577 6.886 5.427 1.00 0.00 H new ATOM 833 N THR A 57 4.132 7.260 5.540 1.00 0.00 N ATOM 834 CA THR A 57 2.686 7.440 5.529 1.00 0.00 C ATOM 835 C THR A 57 2.153 7.519 4.102 1.00 0.00 C ATOM 836 O THR A 57 2.665 8.278 3.279 1.00 0.00 O ATOM 837 CB THR A 57 2.272 8.713 6.291 1.00 0.00 C ATOM 838 OG1 THR A 57 2.666 9.875 5.553 1.00 0.00 O ATOM 839 CG2 THR A 57 2.905 8.745 7.674 1.00 0.00 C ATOM 0 H THR A 57 4.631 7.809 4.840 1.00 0.00 H new ATOM 0 HA THR A 57 2.256 6.572 6.028 1.00 0.00 H new ATOM 0 HB THR A 57 1.188 8.706 6.405 1.00 0.00 H new ATOM 0 HG1 THR A 57 2.892 9.618 4.635 1.00 0.00 H new ATOM 0 HG21 THR A 57 2.598 9.653 8.194 1.00 0.00 H new ATOM 0 HG22 THR A 57 2.580 7.874 8.243 1.00 0.00 H new ATOM 0 HG23 THR A 57 3.991 8.731 7.578 1.00 0.00 H new ATOM 847 N PHE A 58 1.122 6.732 3.816 1.00 0.00 N ATOM 848 CA PHE A 58 0.519 6.713 2.489 1.00 0.00 C ATOM 849 C PHE A 58 -1.004 6.715 2.582 1.00 0.00 C ATOM 850 O PHE A 58 -1.571 6.635 3.672 1.00 0.00 O ATOM 851 CB PHE A 58 0.992 5.485 1.708 1.00 0.00 C ATOM 852 CG PHE A 58 0.598 4.183 2.343 1.00 0.00 C ATOM 853 CD1 PHE A 58 -0.664 3.649 2.134 1.00 0.00 C ATOM 854 CD2 PHE A 58 1.488 3.492 3.149 1.00 0.00 C ATOM 855 CE1 PHE A 58 -1.029 2.451 2.718 1.00 0.00 C ATOM 856 CE2 PHE A 58 1.129 2.293 3.735 1.00 0.00 C ATOM 857 CZ PHE A 58 -0.132 1.771 3.518 1.00 0.00 C ATOM 0 H PHE A 58 0.686 6.098 4.486 1.00 0.00 H new ATOM 0 HA PHE A 58 0.834 7.614 1.962 1.00 0.00 H new ATOM 0 HB2 PHE A 58 0.583 5.526 0.699 1.00 0.00 H new ATOM 0 HB3 PHE A 58 2.077 5.520 1.613 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -1.370 4.175 1.508 1.00 0.00 H new ATOM 0 HD2 PHE A 58 2.475 3.895 3.322 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -2.016 2.046 2.549 1.00 0.00 H new ATOM 0 HE2 PHE A 58 1.833 1.765 4.361 1.00 0.00 H new ATOM 0 HZ PHE A 58 -0.415 0.833 3.973 1.00 0.00 H new ATOM 867 N LYS A 59 -1.661 6.806 1.431 1.00 0.00 N ATOM 868 CA LYS A 59 -3.118 6.817 1.380 1.00 0.00 C ATOM 869 C LYS A 59 -3.659 5.455 0.956 1.00 0.00 C ATOM 870 O LYS A 59 -3.028 4.742 0.176 1.00 0.00 O ATOM 871 CB LYS A 59 -3.607 7.896 0.411 1.00 0.00 C ATOM 872 CG LYS A 59 -3.611 9.293 1.008 1.00 0.00 C ATOM 873 CD LYS A 59 -4.035 10.335 -0.014 1.00 0.00 C ATOM 874 CE LYS A 59 -4.389 11.656 0.650 1.00 0.00 C ATOM 875 NZ LYS A 59 -3.183 12.351 1.181 1.00 0.00 N ATOM 0 H LYS A 59 -1.207 6.873 0.520 1.00 0.00 H new ATOM 0 HA LYS A 59 -3.489 7.040 2.380 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -2.973 7.891 -0.476 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -4.616 7.647 0.083 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -4.288 9.323 1.862 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -2.616 9.533 1.382 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -3.229 10.492 -0.731 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -4.894 9.967 -0.575 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -4.892 12.301 -0.070 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -5.092 11.477 1.463 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -3.467 13.247 1.626 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -2.717 11.746 1.887 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -2.523 12.545 0.401 1.00 0.00 H new ATOM 889 N PHE A 60 -4.830 5.101 1.474 1.00 0.00 N ATOM 890 CA PHE A 60 -5.455 3.825 1.148 1.00 0.00 C ATOM 891 C PHE A 60 -6.112 3.876 -0.228 1.00 0.00 C ATOM 892 O PHE A 60 -6.306 2.846 -0.873 1.00 0.00 O ATOM 893 CB PHE A 60 -6.496 3.457 2.209 1.00 0.00 C ATOM 894 CG PHE A 60 -7.268 4.637 2.725 1.00 0.00 C ATOM 895 CD1 PHE A 60 -8.436 5.044 2.101 1.00 0.00 C ATOM 896 CD2 PHE A 60 -6.826 5.339 3.834 1.00 0.00 C ATOM 897 CE1 PHE A 60 -9.150 6.129 2.574 1.00 0.00 C ATOM 898 CE2 PHE A 60 -7.535 6.425 4.312 1.00 0.00 C ATOM 899 CZ PHE A 60 -8.698 6.821 3.681 1.00 0.00 C ATOM 0 H PHE A 60 -5.365 5.680 2.121 1.00 0.00 H new ATOM 0 HA PHE A 60 -4.677 3.062 1.131 1.00 0.00 H new ATOM 0 HB2 PHE A 60 -7.193 2.733 1.787 1.00 0.00 H new ATOM 0 HB3 PHE A 60 -5.995 2.967 3.044 1.00 0.00 H new ATOM 0 HD1 PHE A 60 -8.793 4.507 1.235 1.00 0.00 H new ATOM 0 HD2 PHE A 60 -5.917 5.034 4.331 1.00 0.00 H new ATOM 0 HE1 PHE A 60 -10.060 6.435 2.079 1.00 0.00 H new ATOM 0 HE2 PHE A 60 -7.180 6.963 5.178 1.00 0.00 H new ATOM 0 HZ PHE A 60 -9.253 7.670 4.052 1.00 0.00 H new ATOM 909 N ILE A 61 -6.451 5.082 -0.670 1.00 0.00 N ATOM 910 CA ILE A 61 -7.086 5.269 -1.969 1.00 0.00 C ATOM 911 C ILE A 61 -6.091 5.046 -3.103 1.00 0.00 C ATOM 912 O ILE A 61 -6.480 4.852 -4.255 1.00 0.00 O ATOM 913 CB ILE A 61 -7.692 6.678 -2.103 1.00 0.00 C ATOM 914 CG1 ILE A 61 -6.634 7.743 -1.806 1.00 0.00 C ATOM 915 CG2 ILE A 61 -8.883 6.833 -1.169 1.00 0.00 C ATOM 916 CD1 ILE A 61 -7.067 9.145 -2.173 1.00 0.00 C ATOM 0 H ILE A 61 -6.297 5.945 -0.148 1.00 0.00 H new ATOM 0 HA ILE A 61 -7.885 4.531 -2.038 1.00 0.00 H new ATOM 0 HB ILE A 61 -8.038 6.812 -3.128 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -6.389 7.714 -0.744 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -5.722 7.499 -2.351 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -9.301 7.834 -1.275 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -9.643 6.094 -1.423 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -8.560 6.682 -0.139 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -6.268 9.847 -1.935 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -7.284 9.191 -3.240 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -7.962 9.409 -1.609 1.00 0.00 H new ATOM 928 N TYR A 62 -4.806 5.074 -2.769 1.00 0.00 N ATOM 929 CA TYR A 62 -3.754 4.875 -3.760 1.00 0.00 C ATOM 930 C TYR A 62 -3.176 3.467 -3.666 1.00 0.00 C ATOM 931 O TYR A 62 -2.114 3.180 -4.220 1.00 0.00 O ATOM 932 CB TYR A 62 -2.643 5.909 -3.568 1.00 0.00 C ATOM 933 CG TYR A 62 -3.049 7.313 -3.955 1.00 0.00 C ATOM 934 CD1 TYR A 62 -3.768 7.554 -5.119 1.00 0.00 C ATOM 935 CD2 TYR A 62 -2.713 8.399 -3.156 1.00 0.00 C ATOM 936 CE1 TYR A 62 -4.140 8.835 -5.477 1.00 0.00 C ATOM 937 CE2 TYR A 62 -3.082 9.684 -3.505 1.00 0.00 C ATOM 938 CZ TYR A 62 -3.795 9.897 -4.667 1.00 0.00 C ATOM 939 OH TYR A 62 -4.165 11.174 -5.019 1.00 0.00 O ATOM 0 H TYR A 62 -4.467 5.232 -1.820 1.00 0.00 H new ATOM 0 HA TYR A 62 -4.193 5.002 -4.750 1.00 0.00 H new ATOM 0 HB2 TYR A 62 -2.331 5.905 -2.524 1.00 0.00 H new ATOM 0 HB3 TYR A 62 -1.777 5.614 -4.161 1.00 0.00 H new ATOM 0 HD1 TYR A 62 -4.041 6.725 -5.755 1.00 0.00 H new ATOM 0 HD2 TYR A 62 -2.154 8.236 -2.247 1.00 0.00 H new ATOM 0 HE1 TYR A 62 -4.698 9.004 -6.386 1.00 0.00 H new ATOM 0 HE2 TYR A 62 -2.814 10.517 -2.872 1.00 0.00 H new ATOM 0 HH TYR A 62 -3.845 11.806 -4.341 1.00 0.00 H new ATOM 949 N VAL A 63 -3.883 2.590 -2.960 1.00 0.00 N ATOM 950 CA VAL A 63 -3.442 1.210 -2.793 1.00 0.00 C ATOM 951 C VAL A 63 -4.631 0.258 -2.727 1.00 0.00 C ATOM 952 O VAL A 63 -5.768 0.682 -2.522 1.00 0.00 O ATOM 953 CB VAL A 63 -2.592 1.042 -1.520 1.00 0.00 C ATOM 954 CG1 VAL A 63 -1.274 1.788 -1.655 1.00 0.00 C ATOM 955 CG2 VAL A 63 -3.363 1.520 -0.299 1.00 0.00 C ATOM 0 H VAL A 63 -4.763 2.811 -2.495 1.00 0.00 H new ATOM 0 HA VAL A 63 -2.832 0.965 -3.662 1.00 0.00 H new ATOM 0 HB VAL A 63 -2.370 -0.017 -1.389 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -0.687 1.657 -0.746 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -0.718 1.393 -2.505 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -1.471 2.849 -1.811 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -2.748 1.394 0.592 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -3.617 2.573 -0.419 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -4.277 0.936 -0.194 1.00 0.00 H new ATOM 965 N ASP A 64 -4.360 -1.031 -2.902 1.00 0.00 N ATOM 966 CA ASP A 64 -5.407 -2.045 -2.861 1.00 0.00 C ATOM 967 C ASP A 64 -5.098 -3.103 -1.806 1.00 0.00 C ATOM 968 O ASP A 64 -4.220 -3.945 -1.994 1.00 0.00 O ATOM 969 CB ASP A 64 -5.562 -2.705 -4.232 1.00 0.00 C ATOM 970 CG ASP A 64 -5.641 -1.691 -5.357 1.00 0.00 C ATOM 971 OD1 ASP A 64 -6.416 -0.720 -5.227 1.00 0.00 O ATOM 972 OD2 ASP A 64 -4.928 -1.868 -6.366 1.00 0.00 O ATOM 0 H ASP A 64 -3.424 -1.398 -3.074 1.00 0.00 H new ATOM 0 HA ASP A 64 -6.343 -1.554 -2.595 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -4.719 -3.373 -4.408 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -6.462 -3.319 -4.237 1.00 0.00 H new ATOM 977 N VAL A 65 -5.826 -3.052 -0.694 1.00 0.00 N ATOM 978 CA VAL A 65 -5.630 -4.006 0.391 1.00 0.00 C ATOM 979 C VAL A 65 -5.777 -5.440 -0.104 1.00 0.00 C ATOM 980 O VAL A 65 -6.879 -5.890 -0.418 1.00 0.00 O ATOM 981 CB VAL A 65 -6.630 -3.765 1.538 1.00 0.00 C ATOM 982 CG1 VAL A 65 -6.431 -4.789 2.644 1.00 0.00 C ATOM 983 CG2 VAL A 65 -6.489 -2.350 2.078 1.00 0.00 C ATOM 0 H VAL A 65 -6.556 -2.361 -0.522 1.00 0.00 H new ATOM 0 HA VAL A 65 -4.617 -3.856 0.765 1.00 0.00 H new ATOM 0 HB VAL A 65 -7.641 -3.881 1.147 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -7.146 -4.603 3.445 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -6.587 -5.791 2.244 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -5.417 -4.708 3.036 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -7.203 -2.197 2.887 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -5.477 -2.203 2.454 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -6.687 -1.635 1.280 1.00 0.00 H new ATOM 993 N LEU A 66 -4.659 -6.155 -0.170 1.00 0.00 N ATOM 994 CA LEU A 66 -4.662 -7.540 -0.627 1.00 0.00 C ATOM 995 C LEU A 66 -4.996 -8.490 0.519 1.00 0.00 C ATOM 996 O LEU A 66 -5.815 -9.397 0.369 1.00 0.00 O ATOM 997 CB LEU A 66 -3.303 -7.904 -1.227 1.00 0.00 C ATOM 998 CG LEU A 66 -2.923 -7.178 -2.518 1.00 0.00 C ATOM 999 CD1 LEU A 66 -1.460 -7.418 -2.855 1.00 0.00 C ATOM 1000 CD2 LEU A 66 -3.817 -7.629 -3.665 1.00 0.00 C ATOM 0 H LEU A 66 -3.739 -5.798 0.087 1.00 0.00 H new ATOM 0 HA LEU A 66 -5.429 -7.642 -1.395 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -2.534 -7.704 -0.481 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -3.289 -8.977 -1.419 1.00 0.00 H new ATOM 0 HG LEU A 66 -3.069 -6.108 -2.367 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -1.208 -6.894 -3.777 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -0.834 -7.047 -2.044 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -1.287 -8.486 -2.987 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -3.533 -7.103 -4.576 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -3.702 -8.702 -3.815 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -4.857 -7.405 -3.426 1.00 0.00 H new ATOM 1012 N SER A 67 -4.357 -8.275 1.664 1.00 0.00 N ATOM 1013 CA SER A 67 -4.584 -9.113 2.836 1.00 0.00 C ATOM 1014 C SER A 67 -5.973 -8.868 3.417 1.00 0.00 C ATOM 1015 O SER A 67 -6.492 -7.753 3.367 1.00 0.00 O ATOM 1016 CB SER A 67 -3.519 -8.840 3.899 1.00 0.00 C ATOM 1017 OG SER A 67 -3.573 -7.495 4.342 1.00 0.00 O ATOM 0 H SER A 67 -3.678 -7.527 1.806 1.00 0.00 H new ATOM 0 HA SER A 67 -4.517 -10.156 2.525 1.00 0.00 H new ATOM 0 HB2 SER A 67 -3.665 -9.511 4.745 1.00 0.00 H new ATOM 0 HB3 SER A 67 -2.531 -9.052 3.491 1.00 0.00 H new ATOM 0 HG SER A 67 -3.593 -7.474 5.322 1.00 0.00 H new ATOM 1023 N SER A 68 -6.570 -9.919 3.970 1.00 0.00 N ATOM 1024 CA SER A 68 -7.901 -9.821 4.558 1.00 0.00 C ATOM 1025 C SER A 68 -7.962 -10.561 5.891 1.00 0.00 C ATOM 1026 O SER A 68 -7.047 -11.304 6.244 1.00 0.00 O ATOM 1027 CB SER A 68 -8.949 -10.388 3.599 1.00 0.00 C ATOM 1028 OG SER A 68 -10.258 -10.221 4.116 1.00 0.00 O ATOM 0 H SER A 68 -6.153 -10.848 4.023 1.00 0.00 H new ATOM 0 HA SER A 68 -8.115 -8.767 4.737 1.00 0.00 H new ATOM 0 HB2 SER A 68 -8.870 -9.889 2.633 1.00 0.00 H new ATOM 0 HB3 SER A 68 -8.755 -11.447 3.428 1.00 0.00 H new ATOM 0 HG SER A 68 -10.909 -10.590 3.483 1.00 0.00 H new ATOM 1034 N GLY A 69 -9.049 -10.353 6.628 1.00 0.00 N ATOM 1035 CA GLY A 69 -9.211 -11.006 7.913 1.00 0.00 C ATOM 1036 C GLY A 69 -10.643 -10.966 8.408 1.00 0.00 C ATOM 1037 O GLY A 69 -11.594 -11.017 7.628 1.00 0.00 O ATOM 0 H GLY A 69 -9.821 -9.743 6.357 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -8.886 -12.043 7.833 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -8.563 -10.525 8.646 1.00 0.00 H new ATOM 1041 N PRO A 70 -10.812 -10.873 9.736 1.00 0.00 N ATOM 1042 CA PRO A 70 -12.135 -10.825 10.364 1.00 0.00 C ATOM 1043 C PRO A 70 -12.864 -9.516 10.081 1.00 0.00 C ATOM 1044 O PRO A 70 -13.959 -9.281 10.592 1.00 0.00 O ATOM 1045 CB PRO A 70 -11.824 -10.952 11.857 1.00 0.00 C ATOM 1046 CG PRO A 70 -10.433 -10.439 11.999 1.00 0.00 C ATOM 1047 CD PRO A 70 -9.723 -10.808 10.726 1.00 0.00 C ATOM 0 HA PRO A 70 -12.795 -11.605 9.984 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -12.524 -10.371 12.458 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -11.900 -11.987 12.191 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -10.429 -9.359 12.149 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -9.940 -10.883 12.864 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -8.975 -10.064 10.453 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -9.205 -11.763 10.817 1.00 0.00 H new ATOM 1055 N SER A 71 -12.250 -8.667 9.264 1.00 0.00 N ATOM 1056 CA SER A 71 -12.839 -7.379 8.916 1.00 0.00 C ATOM 1057 C SER A 71 -14.264 -7.555 8.400 1.00 0.00 C ATOM 1058 O SER A 71 -14.607 -8.593 7.834 1.00 0.00 O ATOM 1059 CB SER A 71 -11.986 -6.673 7.860 1.00 0.00 C ATOM 1060 OG SER A 71 -11.806 -7.492 6.718 1.00 0.00 O ATOM 0 H SER A 71 -11.345 -8.848 8.830 1.00 0.00 H new ATOM 0 HA SER A 71 -12.870 -6.766 9.817 1.00 0.00 H new ATOM 0 HB2 SER A 71 -12.463 -5.737 7.569 1.00 0.00 H new ATOM 0 HB3 SER A 71 -11.015 -6.417 8.284 1.00 0.00 H new ATOM 0 HG SER A 71 -11.259 -7.017 6.058 1.00 0.00 H new ATOM 1066 N SER A 72 -15.089 -6.533 8.599 1.00 0.00 N ATOM 1067 CA SER A 72 -16.479 -6.575 8.159 1.00 0.00 C ATOM 1068 C SER A 72 -16.574 -6.399 6.646 1.00 0.00 C ATOM 1069 O SER A 72 -17.227 -7.183 5.958 1.00 0.00 O ATOM 1070 CB SER A 72 -17.293 -5.488 8.862 1.00 0.00 C ATOM 1071 OG SER A 72 -17.300 -5.684 10.266 1.00 0.00 O ATOM 0 H SER A 72 -14.819 -5.665 9.062 1.00 0.00 H new ATOM 0 HA SER A 72 -16.888 -7.551 8.421 1.00 0.00 H new ATOM 0 HB2 SER A 72 -16.874 -4.509 8.630 1.00 0.00 H new ATOM 0 HB3 SER A 72 -18.316 -5.494 8.486 1.00 0.00 H new ATOM 0 HG SER A 72 -17.825 -4.975 10.693 1.00 0.00 H new ATOM 1077 N GLY A 73 -15.917 -5.362 6.135 1.00 0.00 N ATOM 1078 CA GLY A 73 -15.940 -5.100 4.707 1.00 0.00 C ATOM 1079 C GLY A 73 -14.683 -4.405 4.225 1.00 0.00 C ATOM 1080 O GLY A 73 -13.601 -4.992 4.227 1.00 0.00 O ATOM 0 H GLY A 73 -15.370 -4.699 6.684 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -16.060 -6.041 4.170 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -16.807 -4.484 4.468 1.00 0.00 H new TER 1084 GLY A 73