USER MOD reduce.3.24.130724 H: found=0, std=0, add=529, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 527 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 37 GLN : amide:sc= 0.188 X(o=0.19,f=0.093) USER MOD Set 1.2: A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 GLN : amide:sc= 0 X(o=0,f=-0.24) USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 GLN : amide:sc= -0.0293 K(o=-0.029,f=-1.6!) USER MOD Single : A 28 LYS NZ :NH3+ -131:sc= -0.0435 (180deg=-1.15) USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 TYR OH : rot 30:sc= -1.02 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= -0.135 X(o=-0.14,f=-0.11) USER MOD Single : A 41 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 47 HIS : no HD1:sc= -0.011 X(o=-0.011,f=-0.21) USER MOD Single : A 48 HIS : no HD1:sc= -0.0515 X(o=-0.052,f=-0.009) USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 SER OG : rot 158:sc= -0.569 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 15.591 -15.132 -16.091 1.00 0.00 N ATOM 2 CA GLY A 1 16.989 -14.833 -15.844 1.00 0.00 C ATOM 3 C GLY A 1 17.192 -13.447 -15.263 1.00 0.00 C ATOM 4 O GLY A 1 17.277 -13.283 -14.046 1.00 0.00 O ATOM 0 H1 GLY A 1 15.506 -16.090 -16.488 1.00 0.00 H new ATOM 0 H2 GLY A 1 15.061 -15.079 -15.197 1.00 0.00 H new ATOM 0 H3 GLY A 1 15.202 -14.442 -16.765 1.00 0.00 H new ATOM 0 HA2 GLY A 1 17.400 -15.574 -15.159 1.00 0.00 H new ATOM 0 HA3 GLY A 1 17.546 -14.917 -16.777 1.00 0.00 H new ATOM 8 N SER A 2 17.270 -12.448 -16.136 1.00 0.00 N ATOM 9 CA SER A 2 17.470 -11.070 -15.704 1.00 0.00 C ATOM 10 C SER A 2 16.157 -10.452 -15.232 1.00 0.00 C ATOM 11 O SER A 2 16.062 -9.945 -14.115 1.00 0.00 O ATOM 12 CB SER A 2 18.059 -10.236 -16.843 1.00 0.00 C ATOM 13 OG SER A 2 19.475 -10.266 -16.817 1.00 0.00 O ATOM 0 H SER A 2 17.198 -12.567 -17.146 1.00 0.00 H new ATOM 0 HA SER A 2 18.170 -11.076 -14.868 1.00 0.00 H new ATOM 0 HB2 SER A 2 17.702 -10.617 -17.800 1.00 0.00 H new ATOM 0 HB3 SER A 2 17.712 -9.206 -16.761 1.00 0.00 H new ATOM 0 HG SER A 2 19.827 -9.727 -17.556 1.00 0.00 H new ATOM 19 N SER A 3 15.145 -10.500 -16.094 1.00 0.00 N ATOM 20 CA SER A 3 13.838 -9.942 -15.769 1.00 0.00 C ATOM 21 C SER A 3 13.190 -10.710 -14.621 1.00 0.00 C ATOM 22 O SER A 3 13.408 -11.910 -14.461 1.00 0.00 O ATOM 23 CB SER A 3 12.927 -9.974 -16.997 1.00 0.00 C ATOM 24 OG SER A 3 11.578 -9.731 -16.638 1.00 0.00 O ATOM 0 H SER A 3 15.206 -10.919 -17.022 1.00 0.00 H new ATOM 0 HA SER A 3 13.979 -8.907 -15.457 1.00 0.00 H new ATOM 0 HB2 SER A 3 13.256 -9.225 -17.717 1.00 0.00 H new ATOM 0 HB3 SER A 3 13.007 -10.944 -17.488 1.00 0.00 H new ATOM 0 HG SER A 3 11.016 -9.755 -17.441 1.00 0.00 H new ATOM 30 N GLY A 4 12.390 -10.008 -13.824 1.00 0.00 N ATOM 31 CA GLY A 4 11.722 -10.639 -12.701 1.00 0.00 C ATOM 32 C GLY A 4 10.432 -9.938 -12.325 1.00 0.00 C ATOM 33 O GLY A 4 10.452 -8.826 -11.797 1.00 0.00 O ATOM 0 H GLY A 4 12.193 -9.014 -13.936 1.00 0.00 H new ATOM 0 HA2 GLY A 4 11.508 -11.679 -12.947 1.00 0.00 H new ATOM 0 HA3 GLY A 4 12.392 -10.646 -11.841 1.00 0.00 H new ATOM 37 N SER A 5 9.305 -10.588 -12.600 1.00 0.00 N ATOM 38 CA SER A 5 7.999 -10.018 -12.292 1.00 0.00 C ATOM 39 C SER A 5 7.389 -10.688 -11.065 1.00 0.00 C ATOM 40 O SER A 5 6.223 -11.083 -11.075 1.00 0.00 O ATOM 41 CB SER A 5 7.059 -10.168 -13.490 1.00 0.00 C ATOM 42 OG SER A 5 7.480 -9.359 -14.574 1.00 0.00 O ATOM 0 H SER A 5 9.271 -11.510 -13.036 1.00 0.00 H new ATOM 0 HA SER A 5 8.134 -8.958 -12.075 1.00 0.00 H new ATOM 0 HB2 SER A 5 7.027 -11.212 -13.802 1.00 0.00 H new ATOM 0 HB3 SER A 5 6.046 -9.891 -13.198 1.00 0.00 H new ATOM 0 HG SER A 5 6.864 -9.475 -15.327 1.00 0.00 H new ATOM 48 N SER A 6 8.186 -10.812 -10.008 1.00 0.00 N ATOM 49 CA SER A 6 7.727 -11.437 -8.774 1.00 0.00 C ATOM 50 C SER A 6 6.579 -10.644 -8.157 1.00 0.00 C ATOM 51 O SER A 6 5.665 -11.213 -7.562 1.00 0.00 O ATOM 52 CB SER A 6 8.880 -11.548 -7.774 1.00 0.00 C ATOM 53 OG SER A 6 9.507 -10.292 -7.577 1.00 0.00 O ATOM 0 H SER A 6 9.153 -10.488 -9.982 1.00 0.00 H new ATOM 0 HA SER A 6 7.366 -12.437 -9.015 1.00 0.00 H new ATOM 0 HB2 SER A 6 8.505 -11.924 -6.822 1.00 0.00 H new ATOM 0 HB3 SER A 6 9.611 -12.270 -8.136 1.00 0.00 H new ATOM 0 HG SER A 6 10.239 -10.389 -6.933 1.00 0.00 H new ATOM 59 N GLY A 7 6.634 -9.323 -8.305 1.00 0.00 N ATOM 60 CA GLY A 7 5.594 -8.472 -7.757 1.00 0.00 C ATOM 61 C GLY A 7 4.210 -8.873 -8.227 1.00 0.00 C ATOM 62 O GLY A 7 4.064 -9.540 -9.252 1.00 0.00 O ATOM 0 H GLY A 7 7.380 -8.828 -8.794 1.00 0.00 H new ATOM 0 HA2 GLY A 7 5.631 -8.513 -6.668 1.00 0.00 H new ATOM 0 HA3 GLY A 7 5.786 -7.438 -8.043 1.00 0.00 H new ATOM 66 N ARG A 8 3.191 -8.467 -7.476 1.00 0.00 N ATOM 67 CA ARG A 8 1.812 -8.791 -7.820 1.00 0.00 C ATOM 68 C ARG A 8 0.984 -7.521 -7.999 1.00 0.00 C ATOM 69 O ARG A 8 1.161 -6.530 -7.291 1.00 0.00 O ATOM 70 CB ARG A 8 1.187 -9.671 -6.736 1.00 0.00 C ATOM 71 CG ARG A 8 1.430 -11.157 -6.943 1.00 0.00 C ATOM 72 CD ARG A 8 0.987 -11.968 -5.735 1.00 0.00 C ATOM 73 NE ARG A 8 1.483 -13.340 -5.786 1.00 0.00 N ATOM 74 CZ ARG A 8 2.751 -13.672 -5.566 1.00 0.00 C ATOM 75 NH1 ARG A 8 3.645 -12.736 -5.283 1.00 0.00 N ATOM 76 NH2 ARG A 8 3.126 -14.944 -5.630 1.00 0.00 N ATOM 0 H ARG A 8 3.295 -7.913 -6.626 1.00 0.00 H new ATOM 0 HA ARG A 8 1.818 -9.337 -8.763 1.00 0.00 H new ATOM 0 HB2 ARG A 8 1.588 -9.378 -5.766 1.00 0.00 H new ATOM 0 HB3 ARG A 8 0.113 -9.488 -6.706 1.00 0.00 H new ATOM 0 HG2 ARG A 8 0.890 -11.495 -7.827 1.00 0.00 H new ATOM 0 HG3 ARG A 8 2.490 -11.331 -7.130 1.00 0.00 H new ATOM 0 HD2 ARG A 8 1.344 -11.487 -4.825 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -0.102 -11.978 -5.684 1.00 0.00 H new ATOM 0 HE ARG A 8 0.820 -14.085 -6.002 1.00 0.00 H new ATOM 0 HH11 ARG A 8 3.361 -11.758 -5.233 1.00 0.00 H new ATOM 0 HH12 ARG A 8 4.617 -12.994 -5.115 1.00 0.00 H new ATOM 0 HH21 ARG A 8 2.441 -15.667 -5.848 1.00 0.00 H new ATOM 0 HH22 ARG A 8 4.099 -15.198 -5.461 1.00 0.00 H new ATOM 90 N PRO A 9 0.058 -7.551 -8.969 1.00 0.00 N ATOM 91 CA PRO A 9 -0.815 -6.411 -9.264 1.00 0.00 C ATOM 92 C PRO A 9 -1.838 -6.163 -8.161 1.00 0.00 C ATOM 93 O PRO A 9 -2.526 -7.083 -7.721 1.00 0.00 O ATOM 94 CB PRO A 9 -1.517 -6.828 -10.559 1.00 0.00 C ATOM 95 CG PRO A 9 -1.488 -8.317 -10.544 1.00 0.00 C ATOM 96 CD PRO A 9 -0.208 -8.699 -9.852 1.00 0.00 C ATOM 0 HA PRO A 9 -0.255 -5.480 -9.347 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -2.540 -6.452 -10.593 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -1.002 -6.431 -11.434 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -2.352 -8.719 -10.015 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -1.519 -8.718 -11.557 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -0.318 -9.624 -9.286 1.00 0.00 H new ATOM 0 HD3 PRO A 9 0.603 -8.855 -10.564 1.00 0.00 H new ATOM 104 N ALA A 10 -1.932 -4.914 -7.717 1.00 0.00 N ATOM 105 CA ALA A 10 -2.872 -4.544 -6.667 1.00 0.00 C ATOM 106 C ALA A 10 -3.467 -3.164 -6.922 1.00 0.00 C ATOM 107 O ALA A 10 -2.744 -2.209 -7.209 1.00 0.00 O ATOM 108 CB ALA A 10 -2.187 -4.583 -5.308 1.00 0.00 C ATOM 0 H ALA A 10 -1.368 -4.141 -8.069 1.00 0.00 H new ATOM 0 HA ALA A 10 -3.687 -5.268 -6.673 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -2.901 -4.304 -4.533 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -1.817 -5.590 -5.116 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -1.352 -3.882 -5.301 1.00 0.00 H new ATOM 114 N ARG A 11 -4.788 -3.066 -6.818 1.00 0.00 N ATOM 115 CA ARG A 11 -5.480 -1.802 -7.040 1.00 0.00 C ATOM 116 C ARG A 11 -5.855 -1.147 -5.714 1.00 0.00 C ATOM 117 O ARG A 11 -6.425 -1.789 -4.832 1.00 0.00 O ATOM 118 CB ARG A 11 -6.736 -2.025 -7.884 1.00 0.00 C ATOM 119 CG ARG A 11 -7.213 -0.777 -8.609 1.00 0.00 C ATOM 120 CD ARG A 11 -8.689 -0.869 -8.965 1.00 0.00 C ATOM 121 NE ARG A 11 -9.321 0.446 -9.021 1.00 0.00 N ATOM 122 CZ ARG A 11 -9.263 1.245 -10.081 1.00 0.00 C ATOM 123 NH1 ARG A 11 -8.606 0.863 -11.168 1.00 0.00 N ATOM 124 NH2 ARG A 11 -9.865 2.427 -10.056 1.00 0.00 N ATOM 0 H ARG A 11 -5.401 -3.847 -6.581 1.00 0.00 H new ATOM 0 HA ARG A 11 -4.804 -1.136 -7.576 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -6.537 -2.807 -8.617 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -7.536 -2.389 -7.240 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -7.043 0.097 -7.981 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -6.627 -0.636 -9.517 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -8.799 -1.366 -9.929 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -9.202 -1.487 -8.228 1.00 0.00 H new ATOM 0 HE ARG A 11 -9.835 0.769 -8.201 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -8.144 -0.046 -11.191 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -8.563 1.478 -11.980 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -10.373 2.723 -9.222 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -9.820 3.040 -10.870 1.00 0.00 H new ATOM 138 N ALA A 12 -5.532 0.135 -5.581 1.00 0.00 N ATOM 139 CA ALA A 12 -5.836 0.877 -4.364 1.00 0.00 C ATOM 140 C ALA A 12 -7.334 1.127 -4.233 1.00 0.00 C ATOM 141 O ALA A 12 -7.921 1.874 -5.016 1.00 0.00 O ATOM 142 CB ALA A 12 -5.076 2.195 -4.345 1.00 0.00 C ATOM 0 H ALA A 12 -5.060 0.681 -6.301 1.00 0.00 H new ATOM 0 HA ALA A 12 -5.519 0.275 -3.513 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -5.313 2.738 -3.430 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -4.005 1.998 -4.383 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -5.365 2.794 -5.208 1.00 0.00 H new ATOM 148 N LYS A 13 -7.949 0.496 -3.238 1.00 0.00 N ATOM 149 CA LYS A 13 -9.380 0.650 -3.003 1.00 0.00 C ATOM 150 C LYS A 13 -9.691 2.023 -2.417 1.00 0.00 C ATOM 151 O LYS A 13 -10.704 2.638 -2.753 1.00 0.00 O ATOM 152 CB LYS A 13 -9.883 -0.445 -2.059 1.00 0.00 C ATOM 153 CG LYS A 13 -9.936 -1.822 -2.698 1.00 0.00 C ATOM 154 CD LYS A 13 -11.190 -2.000 -3.537 1.00 0.00 C ATOM 155 CE LYS A 13 -12.390 -2.364 -2.676 1.00 0.00 C ATOM 156 NZ LYS A 13 -13.666 -1.881 -3.271 1.00 0.00 N ATOM 0 H LYS A 13 -7.479 -0.127 -2.581 1.00 0.00 H new ATOM 0 HA LYS A 13 -9.892 0.559 -3.961 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -9.234 -0.485 -1.184 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -10.879 -0.179 -1.706 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -9.055 -1.968 -3.323 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -9.906 -2.586 -1.921 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -11.398 -1.079 -4.082 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -11.024 -2.780 -4.280 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -12.434 -3.446 -2.553 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -12.267 -1.934 -1.682 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -14.460 -2.149 -2.655 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -13.635 -0.846 -3.366 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -13.796 -2.311 -4.209 1.00 0.00 H new ATOM 170 N PHE A 14 -8.814 2.500 -1.540 1.00 0.00 N ATOM 171 CA PHE A 14 -8.995 3.802 -0.908 1.00 0.00 C ATOM 172 C PHE A 14 -7.710 4.623 -0.976 1.00 0.00 C ATOM 173 O PHE A 14 -6.636 4.092 -1.258 1.00 0.00 O ATOM 174 CB PHE A 14 -9.426 3.629 0.550 1.00 0.00 C ATOM 175 CG PHE A 14 -10.493 2.589 0.740 1.00 0.00 C ATOM 176 CD1 PHE A 14 -10.183 1.240 0.683 1.00 0.00 C ATOM 177 CD2 PHE A 14 -11.807 2.961 0.974 1.00 0.00 C ATOM 178 CE1 PHE A 14 -11.163 0.281 0.858 1.00 0.00 C ATOM 179 CE2 PHE A 14 -12.791 2.006 1.150 1.00 0.00 C ATOM 180 CZ PHE A 14 -12.469 0.665 1.090 1.00 0.00 C ATOM 0 H PHE A 14 -7.971 2.004 -1.251 1.00 0.00 H new ATOM 0 HA PHE A 14 -9.776 4.336 -1.450 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -8.556 3.359 1.148 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -9.789 4.584 0.929 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -9.164 0.934 0.500 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -12.065 4.009 1.019 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -10.908 -0.767 0.813 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -13.811 2.309 1.334 1.00 0.00 H new ATOM 0 HZ PHE A 14 -13.237 -0.082 1.224 1.00 0.00 H new ATOM 190 N ASP A 15 -7.830 5.920 -0.716 1.00 0.00 N ATOM 191 CA ASP A 15 -6.680 6.815 -0.747 1.00 0.00 C ATOM 192 C ASP A 15 -5.871 6.706 0.542 1.00 0.00 C ATOM 193 O ASP A 15 -6.282 7.208 1.589 1.00 0.00 O ATOM 194 CB ASP A 15 -7.136 8.260 -0.957 1.00 0.00 C ATOM 195 CG ASP A 15 -8.328 8.622 -0.092 1.00 0.00 C ATOM 196 OD1 ASP A 15 -8.129 8.891 1.111 1.00 0.00 O ATOM 197 OD2 ASP A 15 -9.460 8.637 -0.619 1.00 0.00 O ATOM 0 H ASP A 15 -8.712 6.375 -0.481 1.00 0.00 H new ATOM 0 HA ASP A 15 -6.043 6.519 -1.581 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -6.310 8.935 -0.733 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -7.393 8.408 -2.006 1.00 0.00 H new ATOM 202 N PHE A 16 -4.721 6.047 0.459 1.00 0.00 N ATOM 203 CA PHE A 16 -3.856 5.870 1.620 1.00 0.00 C ATOM 204 C PHE A 16 -2.860 7.021 1.737 1.00 0.00 C ATOM 205 O PHE A 16 -2.403 7.566 0.732 1.00 0.00 O ATOM 206 CB PHE A 16 -3.105 4.540 1.525 1.00 0.00 C ATOM 207 CG PHE A 16 -2.232 4.258 2.714 1.00 0.00 C ATOM 208 CD1 PHE A 16 -0.933 4.739 2.765 1.00 0.00 C ATOM 209 CD2 PHE A 16 -2.709 3.514 3.780 1.00 0.00 C ATOM 210 CE1 PHE A 16 -0.127 4.480 3.857 1.00 0.00 C ATOM 211 CE2 PHE A 16 -1.908 3.253 4.876 1.00 0.00 C ATOM 212 CZ PHE A 16 -0.615 3.738 4.915 1.00 0.00 C ATOM 0 H PHE A 16 -4.366 5.626 -0.400 1.00 0.00 H new ATOM 0 HA PHE A 16 -4.483 5.863 2.511 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -3.827 3.731 1.415 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -2.490 4.543 0.625 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -0.547 5.322 1.942 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -3.719 3.133 3.755 1.00 0.00 H new ATOM 0 HE1 PHE A 16 0.884 4.858 3.883 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -2.292 2.671 5.700 1.00 0.00 H new ATOM 0 HZ PHE A 16 0.013 3.537 5.771 1.00 0.00 H new ATOM 222 N LYS A 17 -2.530 7.386 2.971 1.00 0.00 N ATOM 223 CA LYS A 17 -1.589 8.471 3.222 1.00 0.00 C ATOM 224 C LYS A 17 -0.371 7.968 3.989 1.00 0.00 C ATOM 225 O LYS A 17 -0.501 7.381 5.063 1.00 0.00 O ATOM 226 CB LYS A 17 -2.272 9.594 4.007 1.00 0.00 C ATOM 227 CG LYS A 17 -1.549 10.927 3.915 1.00 0.00 C ATOM 228 CD LYS A 17 -2.028 11.740 2.724 1.00 0.00 C ATOM 229 CE LYS A 17 -1.198 13.001 2.539 1.00 0.00 C ATOM 230 NZ LYS A 17 -1.886 13.996 1.672 1.00 0.00 N ATOM 0 H LYS A 17 -2.900 6.946 3.813 1.00 0.00 H new ATOM 0 HA LYS A 17 -1.255 8.859 2.260 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -3.290 9.716 3.638 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -2.345 9.301 5.054 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -1.710 11.494 4.832 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -0.476 10.755 3.831 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -1.973 11.132 1.821 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -3.075 12.010 2.864 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -0.994 13.447 3.512 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -0.235 12.741 2.099 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -1.288 14.841 1.571 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -2.058 13.579 0.735 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -2.793 14.264 2.104 1.00 0.00 H new ATOM 244 N ALA A 18 0.813 8.204 3.432 1.00 0.00 N ATOM 245 CA ALA A 18 2.054 7.778 4.066 1.00 0.00 C ATOM 246 C ALA A 18 2.664 8.905 4.892 1.00 0.00 C ATOM 247 O ALA A 18 3.079 9.929 4.350 1.00 0.00 O ATOM 248 CB ALA A 18 3.044 7.296 3.016 1.00 0.00 C ATOM 0 H ALA A 18 0.938 8.688 2.543 1.00 0.00 H new ATOM 0 HA ALA A 18 1.824 6.953 4.740 1.00 0.00 H new ATOM 0 HB1 ALA A 18 3.967 6.981 3.503 1.00 0.00 H new ATOM 0 HB2 ALA A 18 2.616 6.455 2.471 1.00 0.00 H new ATOM 0 HB3 ALA A 18 3.260 8.107 2.320 1.00 0.00 H new ATOM 254 N GLN A 19 2.713 8.710 6.206 1.00 0.00 N ATOM 255 CA GLN A 19 3.271 9.712 7.107 1.00 0.00 C ATOM 256 C GLN A 19 4.783 9.813 6.939 1.00 0.00 C ATOM 257 O GLN A 19 5.342 10.909 6.889 1.00 0.00 O ATOM 258 CB GLN A 19 2.929 9.370 8.558 1.00 0.00 C ATOM 259 CG GLN A 19 1.549 9.844 8.985 1.00 0.00 C ATOM 260 CD GLN A 19 1.185 9.393 10.386 1.00 0.00 C ATOM 261 OE1 GLN A 19 2.023 9.394 11.288 1.00 0.00 O ATOM 262 NE2 GLN A 19 -0.071 9.004 10.575 1.00 0.00 N ATOM 0 H GLN A 19 2.373 7.868 6.670 1.00 0.00 H new ATOM 0 HA GLN A 19 2.831 10.677 6.855 1.00 0.00 H new ATOM 0 HB2 GLN A 19 2.991 8.290 8.692 1.00 0.00 H new ATOM 0 HB3 GLN A 19 3.677 9.816 9.214 1.00 0.00 H new ATOM 0 HG2 GLN A 19 1.512 10.932 8.936 1.00 0.00 H new ATOM 0 HG3 GLN A 19 0.806 9.468 8.282 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -0.732 9.020 9.798 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -0.374 8.690 11.497 1.00 0.00 H new ATOM 271 N THR A 20 5.443 8.661 6.852 1.00 0.00 N ATOM 272 CA THR A 20 6.890 8.620 6.691 1.00 0.00 C ATOM 273 C THR A 20 7.287 7.761 5.496 1.00 0.00 C ATOM 274 O THR A 20 6.431 7.193 4.815 1.00 0.00 O ATOM 275 CB THR A 20 7.581 8.072 7.954 1.00 0.00 C ATOM 276 OG1 THR A 20 6.902 6.897 8.412 1.00 0.00 O ATOM 277 CG2 THR A 20 7.597 9.117 9.059 1.00 0.00 C ATOM 0 H THR A 20 4.997 7.745 6.891 1.00 0.00 H new ATOM 0 HA THR A 20 7.217 9.646 6.522 1.00 0.00 H new ATOM 0 HB THR A 20 8.610 7.821 7.698 1.00 0.00 H new ATOM 0 HG1 THR A 20 7.348 6.553 9.214 1.00 0.00 H new ATOM 0 HG21 THR A 20 8.090 8.707 9.940 1.00 0.00 H new ATOM 0 HG22 THR A 20 8.139 9.999 8.718 1.00 0.00 H new ATOM 0 HG23 THR A 20 6.574 9.395 9.312 1.00 0.00 H new ATOM 285 N LEU A 21 8.588 7.669 5.245 1.00 0.00 N ATOM 286 CA LEU A 21 9.098 6.877 4.131 1.00 0.00 C ATOM 287 C LEU A 21 8.654 5.422 4.248 1.00 0.00 C ATOM 288 O LEU A 21 8.170 4.829 3.284 1.00 0.00 O ATOM 289 CB LEU A 21 10.625 6.954 4.081 1.00 0.00 C ATOM 290 CG LEU A 21 11.213 8.193 3.406 1.00 0.00 C ATOM 291 CD1 LEU A 21 11.059 9.413 4.301 1.00 0.00 C ATOM 292 CD2 LEU A 21 12.677 7.966 3.057 1.00 0.00 C ATOM 0 H LEU A 21 9.309 8.133 5.798 1.00 0.00 H new ATOM 0 HA LEU A 21 8.689 7.289 3.208 1.00 0.00 H new ATOM 0 HB2 LEU A 21 11.005 6.906 5.102 1.00 0.00 H new ATOM 0 HB3 LEU A 21 10.996 6.071 3.561 1.00 0.00 H new ATOM 0 HG LEU A 21 10.664 8.375 2.482 1.00 0.00 H new ATOM 0 HD11 LEU A 21 11.483 10.285 3.804 1.00 0.00 H new ATOM 0 HD12 LEU A 21 10.002 9.587 4.500 1.00 0.00 H new ATOM 0 HD13 LEU A 21 11.582 9.242 5.242 1.00 0.00 H new ATOM 0 HD21 LEU A 21 13.079 8.858 2.577 1.00 0.00 H new ATOM 0 HD22 LEU A 21 13.240 7.758 3.967 1.00 0.00 H new ATOM 0 HD23 LEU A 21 12.762 7.119 2.377 1.00 0.00 H new ATOM 304 N LYS A 22 8.821 4.853 5.437 1.00 0.00 N ATOM 305 CA LYS A 22 8.434 3.468 5.684 1.00 0.00 C ATOM 306 C LYS A 22 7.127 3.133 4.972 1.00 0.00 C ATOM 307 O LYS A 22 6.987 2.060 4.388 1.00 0.00 O ATOM 308 CB LYS A 22 8.289 3.218 7.186 1.00 0.00 C ATOM 309 CG LYS A 22 9.582 2.792 7.860 1.00 0.00 C ATOM 310 CD LYS A 22 9.316 1.910 9.068 1.00 0.00 C ATOM 311 CE LYS A 22 10.454 0.927 9.301 1.00 0.00 C ATOM 312 NZ LYS A 22 11.561 1.536 10.088 1.00 0.00 N ATOM 0 H LYS A 22 9.222 5.329 6.245 1.00 0.00 H new ATOM 0 HA LYS A 22 9.218 2.822 5.289 1.00 0.00 H new ATOM 0 HB2 LYS A 22 7.923 4.127 7.663 1.00 0.00 H new ATOM 0 HB3 LYS A 22 7.535 2.448 7.346 1.00 0.00 H new ATOM 0 HG2 LYS A 22 10.206 2.254 7.146 1.00 0.00 H new ATOM 0 HG3 LYS A 22 10.141 3.675 8.169 1.00 0.00 H new ATOM 0 HD2 LYS A 22 9.185 2.533 9.953 1.00 0.00 H new ATOM 0 HD3 LYS A 22 8.385 1.363 8.922 1.00 0.00 H new ATOM 0 HE2 LYS A 22 10.075 0.050 9.826 1.00 0.00 H new ATOM 0 HE3 LYS A 22 10.838 0.582 8.341 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 12.316 0.834 10.225 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 11.940 2.357 9.575 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 11.201 1.842 11.014 1.00 0.00 H new ATOM 326 N GLU A 23 6.175 4.060 5.026 1.00 0.00 N ATOM 327 CA GLU A 23 4.880 3.861 4.386 1.00 0.00 C ATOM 328 C GLU A 23 4.844 4.526 3.013 1.00 0.00 C ATOM 329 O GLU A 23 5.559 5.497 2.762 1.00 0.00 O ATOM 330 CB GLU A 23 3.760 4.420 5.266 1.00 0.00 C ATOM 331 CG GLU A 23 3.214 3.417 6.268 1.00 0.00 C ATOM 332 CD GLU A 23 2.456 4.078 7.402 1.00 0.00 C ATOM 333 OE1 GLU A 23 3.061 4.900 8.121 1.00 0.00 O ATOM 334 OE2 GLU A 23 1.256 3.774 7.569 1.00 0.00 O ATOM 0 H GLU A 23 6.276 4.955 5.506 1.00 0.00 H new ATOM 0 HA GLU A 23 4.729 2.790 4.255 1.00 0.00 H new ATOM 0 HB2 GLU A 23 4.133 5.292 5.804 1.00 0.00 H new ATOM 0 HB3 GLU A 23 2.946 4.763 4.628 1.00 0.00 H new ATOM 0 HG2 GLU A 23 2.554 2.718 5.754 1.00 0.00 H new ATOM 0 HG3 GLU A 23 4.038 2.834 6.678 1.00 0.00 H new ATOM 341 N LEU A 24 4.007 3.997 2.128 1.00 0.00 N ATOM 342 CA LEU A 24 3.877 4.539 0.779 1.00 0.00 C ATOM 343 C LEU A 24 2.441 4.972 0.503 1.00 0.00 C ATOM 344 O LEU A 24 1.484 4.249 0.780 1.00 0.00 O ATOM 345 CB LEU A 24 4.315 3.499 -0.253 1.00 0.00 C ATOM 346 CG LEU A 24 4.181 3.911 -1.720 1.00 0.00 C ATOM 347 CD1 LEU A 24 5.465 4.562 -2.211 1.00 0.00 C ATOM 348 CD2 LEU A 24 3.827 2.708 -2.582 1.00 0.00 C ATOM 0 H LEU A 24 3.408 3.194 2.319 1.00 0.00 H new ATOM 0 HA LEU A 24 4.522 5.414 0.701 1.00 0.00 H new ATOM 0 HB2 LEU A 24 5.357 3.243 -0.062 1.00 0.00 H new ATOM 0 HB3 LEU A 24 3.731 2.592 -0.096 1.00 0.00 H new ATOM 0 HG LEU A 24 3.375 4.640 -1.800 1.00 0.00 H new ATOM 0 HD11 LEU A 24 5.351 4.848 -3.256 1.00 0.00 H new ATOM 0 HD12 LEU A 24 5.675 5.449 -1.613 1.00 0.00 H new ATOM 0 HD13 LEU A 24 6.290 3.856 -2.116 1.00 0.00 H new ATOM 0 HD21 LEU A 24 3.736 3.020 -3.622 1.00 0.00 H new ATOM 0 HD22 LEU A 24 4.611 1.956 -2.496 1.00 0.00 H new ATOM 0 HD23 LEU A 24 2.880 2.285 -2.246 1.00 0.00 H new ATOM 360 N PRO A 25 2.285 6.180 -0.059 1.00 0.00 N ATOM 361 CA PRO A 25 0.969 6.736 -0.388 1.00 0.00 C ATOM 362 C PRO A 25 0.303 6.003 -1.547 1.00 0.00 C ATOM 363 O PRO A 25 0.969 5.590 -2.498 1.00 0.00 O ATOM 364 CB PRO A 25 1.283 8.183 -0.779 1.00 0.00 C ATOM 365 CG PRO A 25 2.699 8.151 -1.243 1.00 0.00 C ATOM 366 CD PRO A 25 3.381 7.096 -0.416 1.00 0.00 C ATOM 0 HA PRO A 25 0.269 6.647 0.443 1.00 0.00 H new ATOM 0 HB2 PRO A 25 0.616 8.534 -1.567 1.00 0.00 H new ATOM 0 HB3 PRO A 25 1.159 8.858 0.068 1.00 0.00 H new ATOM 0 HG2 PRO A 25 2.757 7.912 -2.305 1.00 0.00 H new ATOM 0 HG3 PRO A 25 3.176 9.122 -1.108 1.00 0.00 H new ATOM 0 HD2 PRO A 25 4.163 6.587 -0.980 1.00 0.00 H new ATOM 0 HD3 PRO A 25 3.853 7.522 0.469 1.00 0.00 H new ATOM 374 N LEU A 26 -1.013 5.845 -1.463 1.00 0.00 N ATOM 375 CA LEU A 26 -1.770 5.162 -2.506 1.00 0.00 C ATOM 376 C LEU A 26 -3.029 5.944 -2.867 1.00 0.00 C ATOM 377 O LEU A 26 -3.854 6.241 -2.004 1.00 0.00 O ATOM 378 CB LEU A 26 -2.145 3.751 -2.050 1.00 0.00 C ATOM 379 CG LEU A 26 -0.991 2.873 -1.565 1.00 0.00 C ATOM 380 CD1 LEU A 26 -1.520 1.586 -0.952 1.00 0.00 C ATOM 381 CD2 LEU A 26 -0.036 2.567 -2.710 1.00 0.00 C ATOM 0 H LEU A 26 -1.578 6.181 -0.683 1.00 0.00 H new ATOM 0 HA LEU A 26 -1.140 5.095 -3.393 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -2.876 3.833 -1.245 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -2.639 3.242 -2.878 1.00 0.00 H new ATOM 0 HG LEU A 26 -0.443 3.419 -0.797 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -0.684 0.974 -0.613 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -2.163 1.824 -0.105 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -2.093 1.036 -1.699 1.00 0.00 H new ATOM 0 HD21 LEU A 26 0.779 1.941 -2.347 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -0.572 2.042 -3.500 1.00 0.00 H new ATOM 0 HD23 LEU A 26 0.370 3.499 -3.104 1.00 0.00 H new ATOM 393 N GLN A 27 -3.169 6.271 -4.147 1.00 0.00 N ATOM 394 CA GLN A 27 -4.328 7.017 -4.622 1.00 0.00 C ATOM 395 C GLN A 27 -5.441 6.072 -5.062 1.00 0.00 C ATOM 396 O GLN A 27 -5.180 5.002 -5.612 1.00 0.00 O ATOM 397 CB GLN A 27 -3.933 7.933 -5.781 1.00 0.00 C ATOM 398 CG GLN A 27 -5.121 8.507 -6.536 1.00 0.00 C ATOM 399 CD GLN A 27 -5.773 9.664 -5.804 1.00 0.00 C ATOM 400 OE1 GLN A 27 -5.204 10.219 -4.864 1.00 0.00 O ATOM 401 NE2 GLN A 27 -6.974 10.034 -6.233 1.00 0.00 N ATOM 0 H GLN A 27 -2.495 6.031 -4.874 1.00 0.00 H new ATOM 0 HA GLN A 27 -4.698 7.626 -3.797 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -3.328 8.753 -5.395 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -3.306 7.375 -6.477 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -4.794 8.843 -7.520 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -5.859 7.721 -6.696 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -7.409 9.546 -7.016 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -7.462 10.807 -5.780 1.00 0.00 H new ATOM 410 N LYS A 28 -6.684 6.473 -4.816 1.00 0.00 N ATOM 411 CA LYS A 28 -7.838 5.663 -5.187 1.00 0.00 C ATOM 412 C LYS A 28 -7.747 5.224 -6.645 1.00 0.00 C ATOM 413 O LYS A 28 -7.979 6.015 -7.558 1.00 0.00 O ATOM 414 CB LYS A 28 -9.132 6.447 -4.959 1.00 0.00 C ATOM 415 CG LYS A 28 -10.386 5.598 -5.075 1.00 0.00 C ATOM 416 CD LYS A 28 -11.620 6.362 -4.626 1.00 0.00 C ATOM 417 CE LYS A 28 -12.071 7.362 -5.681 1.00 0.00 C ATOM 418 NZ LYS A 28 -11.418 8.688 -5.503 1.00 0.00 N ATOM 0 H LYS A 28 -6.918 7.355 -4.361 1.00 0.00 H new ATOM 0 HA LYS A 28 -7.844 4.773 -4.557 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -9.102 6.902 -3.969 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -9.186 7.261 -5.682 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -10.513 5.274 -6.108 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -10.274 4.698 -4.471 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -12.428 5.661 -4.419 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -11.406 6.886 -3.694 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -11.839 6.973 -6.673 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -13.153 7.480 -5.630 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -12.139 9.437 -5.532 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -10.929 8.714 -4.585 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -10.729 8.841 -6.267 1.00 0.00 H new ATOM 432 N GLY A 29 -7.410 3.955 -6.857 1.00 0.00 N ATOM 433 CA GLY A 29 -7.296 3.432 -8.206 1.00 0.00 C ATOM 434 C GLY A 29 -5.873 3.474 -8.726 1.00 0.00 C ATOM 435 O GLY A 29 -5.633 3.874 -9.865 1.00 0.00 O ATOM 0 H GLY A 29 -7.214 3.280 -6.118 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -7.656 2.403 -8.225 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -7.940 4.008 -8.871 1.00 0.00 H new ATOM 439 N ASP A 30 -4.927 3.061 -7.890 1.00 0.00 N ATOM 440 CA ASP A 30 -3.520 3.053 -8.271 1.00 0.00 C ATOM 441 C ASP A 30 -3.004 1.625 -8.414 1.00 0.00 C ATOM 442 O ASP A 30 -3.270 0.771 -7.569 1.00 0.00 O ATOM 443 CB ASP A 30 -2.685 3.809 -7.236 1.00 0.00 C ATOM 444 CG ASP A 30 -2.630 5.299 -7.513 1.00 0.00 C ATOM 445 OD1 ASP A 30 -3.550 5.813 -8.184 1.00 0.00 O ATOM 446 OD2 ASP A 30 -1.667 5.951 -7.059 1.00 0.00 O ATOM 0 H ASP A 30 -5.109 2.727 -6.944 1.00 0.00 H new ATOM 0 HA ASP A 30 -3.427 3.552 -9.236 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -3.104 3.642 -6.244 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -1.672 3.407 -7.226 1.00 0.00 H new ATOM 451 N ILE A 31 -2.265 1.374 -9.490 1.00 0.00 N ATOM 452 CA ILE A 31 -1.712 0.049 -9.743 1.00 0.00 C ATOM 453 C ILE A 31 -0.297 -0.072 -9.187 1.00 0.00 C ATOM 454 O ILE A 31 0.623 0.605 -9.647 1.00 0.00 O ATOM 455 CB ILE A 31 -1.688 -0.272 -11.249 1.00 0.00 C ATOM 456 CG1 ILE A 31 -3.097 -0.173 -11.837 1.00 0.00 C ATOM 457 CG2 ILE A 31 -1.106 -1.658 -11.486 1.00 0.00 C ATOM 458 CD1 ILE A 31 -4.082 -1.135 -11.211 1.00 0.00 C ATOM 0 H ILE A 31 -2.036 2.070 -10.200 1.00 0.00 H new ATOM 0 HA ILE A 31 -2.361 -0.666 -9.237 1.00 0.00 H new ATOM 0 HB ILE A 31 -1.053 0.458 -11.751 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -3.465 0.845 -11.709 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -3.049 -0.362 -12.909 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -1.096 -1.870 -12.555 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -0.088 -1.696 -11.099 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -1.717 -2.402 -10.974 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -5.060 -1.009 -11.676 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -3.737 -2.158 -11.362 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -4.160 -0.932 -10.143 1.00 0.00 H new ATOM 470 N VAL A 32 -0.130 -0.939 -8.194 1.00 0.00 N ATOM 471 CA VAL A 32 1.173 -1.152 -7.575 1.00 0.00 C ATOM 472 C VAL A 32 1.581 -2.619 -7.643 1.00 0.00 C ATOM 473 O VAL A 32 0.747 -3.496 -7.868 1.00 0.00 O ATOM 474 CB VAL A 32 1.177 -0.696 -6.104 1.00 0.00 C ATOM 475 CG1 VAL A 32 0.926 0.801 -6.008 1.00 0.00 C ATOM 476 CG2 VAL A 32 0.142 -1.472 -5.304 1.00 0.00 C ATOM 0 H VAL A 32 -0.881 -1.506 -7.801 1.00 0.00 H new ATOM 0 HA VAL A 32 1.891 -0.553 -8.135 1.00 0.00 H new ATOM 0 HB VAL A 32 2.160 -0.902 -5.680 1.00 0.00 H new ATOM 0 HG11 VAL A 32 0.932 1.105 -4.961 1.00 0.00 H new ATOM 0 HG12 VAL A 32 1.708 1.336 -6.546 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -0.043 1.036 -6.448 1.00 0.00 H new ATOM 0 HG21 VAL A 32 0.158 -1.137 -4.267 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -0.848 -1.299 -5.726 1.00 0.00 H new ATOM 0 HG23 VAL A 32 0.373 -2.536 -5.345 1.00 0.00 H new ATOM 486 N TYR A 33 2.868 -2.879 -7.446 1.00 0.00 N ATOM 487 CA TYR A 33 3.388 -4.241 -7.486 1.00 0.00 C ATOM 488 C TYR A 33 3.951 -4.650 -6.128 1.00 0.00 C ATOM 489 O TYR A 33 4.983 -4.138 -5.693 1.00 0.00 O ATOM 490 CB TYR A 33 4.472 -4.365 -8.559 1.00 0.00 C ATOM 491 CG TYR A 33 3.927 -4.648 -9.940 1.00 0.00 C ATOM 492 CD1 TYR A 33 3.407 -5.896 -10.261 1.00 0.00 C ATOM 493 CD2 TYR A 33 3.931 -3.667 -10.924 1.00 0.00 C ATOM 494 CE1 TYR A 33 2.909 -6.160 -11.522 1.00 0.00 C ATOM 495 CE2 TYR A 33 3.433 -3.922 -12.188 1.00 0.00 C ATOM 496 CZ TYR A 33 2.924 -5.169 -12.482 1.00 0.00 C ATOM 497 OH TYR A 33 2.428 -5.427 -13.739 1.00 0.00 O ATOM 0 H TYR A 33 3.571 -2.165 -7.257 1.00 0.00 H new ATOM 0 HA TYR A 33 2.564 -4.910 -7.733 1.00 0.00 H new ATOM 0 HB2 TYR A 33 5.050 -3.441 -8.588 1.00 0.00 H new ATOM 0 HB3 TYR A 33 5.160 -5.163 -8.278 1.00 0.00 H new ATOM 0 HD1 TYR A 33 3.392 -6.673 -9.511 1.00 0.00 H new ATOM 0 HD2 TYR A 33 4.330 -2.689 -10.698 1.00 0.00 H new ATOM 0 HE1 TYR A 33 2.510 -7.136 -11.755 1.00 0.00 H new ATOM 0 HE2 TYR A 33 3.443 -3.148 -12.941 1.00 0.00 H new ATOM 0 HH TYR A 33 2.511 -4.624 -14.295 1.00 0.00 H new ATOM 507 N ILE A 34 3.267 -5.576 -5.466 1.00 0.00 N ATOM 508 CA ILE A 34 3.699 -6.055 -4.159 1.00 0.00 C ATOM 509 C ILE A 34 4.786 -7.116 -4.294 1.00 0.00 C ATOM 510 O ILE A 34 4.538 -8.213 -4.794 1.00 0.00 O ATOM 511 CB ILE A 34 2.522 -6.642 -3.357 1.00 0.00 C ATOM 512 CG1 ILE A 34 1.405 -5.605 -3.216 1.00 0.00 C ATOM 513 CG2 ILE A 34 2.994 -7.109 -1.988 1.00 0.00 C ATOM 514 CD1 ILE A 34 0.036 -6.216 -3.013 1.00 0.00 C ATOM 0 H ILE A 34 2.411 -6.010 -5.813 1.00 0.00 H new ATOM 0 HA ILE A 34 4.099 -5.194 -3.624 1.00 0.00 H new ATOM 0 HB ILE A 34 2.127 -7.503 -3.897 1.00 0.00 H new ATOM 0 HG12 ILE A 34 1.631 -4.952 -2.373 1.00 0.00 H new ATOM 0 HG13 ILE A 34 1.386 -4.979 -4.108 1.00 0.00 H new ATOM 0 HG21 ILE A 34 2.151 -7.521 -1.434 1.00 0.00 H new ATOM 0 HG22 ILE A 34 3.759 -7.876 -2.109 1.00 0.00 H new ATOM 0 HG23 ILE A 34 3.411 -6.265 -1.439 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -0.706 -5.423 -2.921 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -0.211 -6.847 -3.867 1.00 0.00 H new ATOM 0 HD13 ILE A 34 0.038 -6.819 -2.105 1.00 0.00 H new ATOM 526 N TYR A 35 5.990 -6.781 -3.844 1.00 0.00 N ATOM 527 CA TYR A 35 7.116 -7.705 -3.915 1.00 0.00 C ATOM 528 C TYR A 35 7.060 -8.721 -2.779 1.00 0.00 C ATOM 529 O TYR A 35 7.255 -9.918 -2.990 1.00 0.00 O ATOM 530 CB TYR A 35 8.438 -6.936 -3.861 1.00 0.00 C ATOM 531 CG TYR A 35 8.529 -5.818 -4.875 1.00 0.00 C ATOM 532 CD1 TYR A 35 8.533 -6.087 -6.238 1.00 0.00 C ATOM 533 CD2 TYR A 35 8.610 -4.491 -4.470 1.00 0.00 C ATOM 534 CE1 TYR A 35 8.617 -5.069 -7.167 1.00 0.00 C ATOM 535 CE2 TYR A 35 8.693 -3.466 -5.392 1.00 0.00 C ATOM 536 CZ TYR A 35 8.697 -3.760 -6.740 1.00 0.00 C ATOM 537 OH TYR A 35 8.779 -2.742 -7.662 1.00 0.00 O ATOM 0 H TYR A 35 6.211 -5.877 -3.426 1.00 0.00 H new ATOM 0 HA TYR A 35 7.053 -8.242 -4.862 1.00 0.00 H new ATOM 0 HB2 TYR A 35 8.566 -6.520 -2.862 1.00 0.00 H new ATOM 0 HB3 TYR A 35 9.261 -7.632 -4.025 1.00 0.00 H new ATOM 0 HD1 TYR A 35 8.469 -7.110 -6.577 1.00 0.00 H new ATOM 0 HD2 TYR A 35 8.608 -4.257 -3.416 1.00 0.00 H new ATOM 0 HE1 TYR A 35 8.620 -5.297 -8.223 1.00 0.00 H new ATOM 0 HE2 TYR A 35 8.754 -2.440 -5.060 1.00 0.00 H new ATOM 0 HH TYR A 35 8.312 -3.005 -8.483 1.00 0.00 H new ATOM 547 N LYS A 36 6.791 -8.235 -1.572 1.00 0.00 N ATOM 548 CA LYS A 36 6.706 -9.098 -0.400 1.00 0.00 C ATOM 549 C LYS A 36 5.586 -8.645 0.530 1.00 0.00 C ATOM 550 O LYS A 36 5.012 -7.572 0.347 1.00 0.00 O ATOM 551 CB LYS A 36 8.039 -9.103 0.353 1.00 0.00 C ATOM 552 CG LYS A 36 8.292 -7.834 1.149 1.00 0.00 C ATOM 553 CD LYS A 36 9.319 -8.060 2.246 1.00 0.00 C ATOM 554 CE LYS A 36 8.661 -8.507 3.542 1.00 0.00 C ATOM 555 NZ LYS A 36 9.574 -8.356 4.708 1.00 0.00 N ATOM 0 H LYS A 36 6.628 -7.247 -1.380 1.00 0.00 H new ATOM 0 HA LYS A 36 6.484 -10.109 -0.740 1.00 0.00 H new ATOM 0 HB2 LYS A 36 8.061 -9.957 1.030 1.00 0.00 H new ATOM 0 HB3 LYS A 36 8.850 -9.241 -0.362 1.00 0.00 H new ATOM 0 HG2 LYS A 36 8.640 -7.047 0.480 1.00 0.00 H new ATOM 0 HG3 LYS A 36 7.357 -7.487 1.590 1.00 0.00 H new ATOM 0 HD2 LYS A 36 10.038 -8.813 1.923 1.00 0.00 H new ATOM 0 HD3 LYS A 36 9.877 -7.140 2.419 1.00 0.00 H new ATOM 0 HE2 LYS A 36 7.757 -7.922 3.711 1.00 0.00 H new ATOM 0 HE3 LYS A 36 8.355 -9.549 3.453 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 9.089 -8.671 5.572 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 10.426 -8.934 4.559 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 9.846 -7.357 4.809 1.00 0.00 H new ATOM 569 N GLN A 37 5.282 -9.468 1.529 1.00 0.00 N ATOM 570 CA GLN A 37 4.231 -9.149 2.488 1.00 0.00 C ATOM 571 C GLN A 37 4.817 -8.894 3.873 1.00 0.00 C ATOM 572 O GLN A 37 5.373 -9.797 4.498 1.00 0.00 O ATOM 573 CB GLN A 37 3.211 -10.287 2.554 1.00 0.00 C ATOM 574 CG GLN A 37 2.007 -9.974 3.428 1.00 0.00 C ATOM 575 CD GLN A 37 1.062 -11.152 3.563 1.00 0.00 C ATOM 576 OE1 GLN A 37 1.476 -12.259 3.909 1.00 0.00 O ATOM 577 NE2 GLN A 37 -0.217 -10.919 3.290 1.00 0.00 N ATOM 0 H GLN A 37 5.748 -10.360 1.695 1.00 0.00 H new ATOM 0 HA GLN A 37 3.731 -8.240 2.153 1.00 0.00 H new ATOM 0 HB2 GLN A 37 2.868 -10.515 1.545 1.00 0.00 H new ATOM 0 HB3 GLN A 37 3.702 -11.183 2.934 1.00 0.00 H new ATOM 0 HG2 GLN A 37 2.350 -9.673 4.418 1.00 0.00 H new ATOM 0 HG3 GLN A 37 1.467 -9.126 3.006 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -0.516 -9.986 3.007 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -0.900 -11.673 3.364 1.00 0.00 H new ATOM 586 N ILE A 38 4.688 -7.659 4.345 1.00 0.00 N ATOM 587 CA ILE A 38 5.204 -7.286 5.657 1.00 0.00 C ATOM 588 C ILE A 38 4.507 -8.069 6.764 1.00 0.00 C ATOM 589 O ILE A 38 5.132 -8.870 7.459 1.00 0.00 O ATOM 590 CB ILE A 38 5.031 -5.779 5.922 1.00 0.00 C ATOM 591 CG1 ILE A 38 5.762 -4.963 4.853 1.00 0.00 C ATOM 592 CG2 ILE A 38 5.542 -5.423 7.310 1.00 0.00 C ATOM 593 CD1 ILE A 38 7.268 -5.078 4.932 1.00 0.00 C ATOM 0 H ILE A 38 4.231 -6.900 3.839 1.00 0.00 H new ATOM 0 HA ILE A 38 6.267 -7.527 5.659 1.00 0.00 H new ATOM 0 HB ILE A 38 3.969 -5.536 5.874 1.00 0.00 H new ATOM 0 HG12 ILE A 38 5.432 -5.291 3.867 1.00 0.00 H new ATOM 0 HG13 ILE A 38 5.480 -3.915 4.951 1.00 0.00 H new ATOM 0 HG21 ILE A 38 5.413 -4.354 7.482 1.00 0.00 H new ATOM 0 HG22 ILE A 38 4.981 -5.982 8.059 1.00 0.00 H new ATOM 0 HG23 ILE A 38 6.599 -5.677 7.385 1.00 0.00 H new ATOM 0 HD11 ILE A 38 7.721 -4.475 4.145 1.00 0.00 H new ATOM 0 HD12 ILE A 38 7.610 -4.722 5.904 1.00 0.00 H new ATOM 0 HD13 ILE A 38 7.561 -6.120 4.804 1.00 0.00 H new ATOM 605 N ASP A 39 3.210 -7.832 6.922 1.00 0.00 N ATOM 606 CA ASP A 39 2.427 -8.517 7.944 1.00 0.00 C ATOM 607 C ASP A 39 1.153 -9.107 7.347 1.00 0.00 C ATOM 608 O ASP A 39 0.851 -8.897 6.173 1.00 0.00 O ATOM 609 CB ASP A 39 2.075 -7.554 9.079 1.00 0.00 C ATOM 610 CG ASP A 39 3.290 -6.825 9.617 1.00 0.00 C ATOM 611 OD1 ASP A 39 4.351 -7.467 9.764 1.00 0.00 O ATOM 612 OD2 ASP A 39 3.180 -5.611 9.890 1.00 0.00 O ATOM 0 H ASP A 39 2.678 -7.171 6.356 1.00 0.00 H new ATOM 0 HA ASP A 39 3.031 -9.331 8.344 1.00 0.00 H new ATOM 0 HB2 ASP A 39 1.347 -6.826 8.721 1.00 0.00 H new ATOM 0 HB3 ASP A 39 1.600 -8.109 9.888 1.00 0.00 H new ATOM 617 N GLN A 40 0.410 -9.847 8.165 1.00 0.00 N ATOM 618 CA GLN A 40 -0.830 -10.469 7.716 1.00 0.00 C ATOM 619 C GLN A 40 -1.840 -9.414 7.277 1.00 0.00 C ATOM 620 O GLN A 40 -2.847 -9.730 6.644 1.00 0.00 O ATOM 621 CB GLN A 40 -1.426 -11.330 8.831 1.00 0.00 C ATOM 622 CG GLN A 40 -2.435 -12.353 8.336 1.00 0.00 C ATOM 623 CD GLN A 40 -1.799 -13.441 7.494 1.00 0.00 C ATOM 624 OE1 GLN A 40 -1.212 -14.387 8.020 1.00 0.00 O ATOM 625 NE2 GLN A 40 -1.911 -13.312 6.177 1.00 0.00 N ATOM 0 H GLN A 40 0.645 -10.030 9.141 1.00 0.00 H new ATOM 0 HA GLN A 40 -0.600 -11.104 6.860 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -0.619 -11.849 9.349 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -1.908 -10.681 9.562 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -2.936 -12.807 9.191 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -3.202 -11.847 7.750 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -2.406 -12.512 5.783 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -1.502 -14.013 5.559 1.00 0.00 H new ATOM 634 N ASN A 41 -1.564 -8.160 7.618 1.00 0.00 N ATOM 635 CA ASN A 41 -2.450 -7.058 7.260 1.00 0.00 C ATOM 636 C ASN A 41 -1.671 -5.930 6.590 1.00 0.00 C ATOM 637 O ASN A 41 -2.180 -4.820 6.432 1.00 0.00 O ATOM 638 CB ASN A 41 -3.169 -6.529 8.503 1.00 0.00 C ATOM 639 CG ASN A 41 -4.455 -7.278 8.790 1.00 0.00 C ATOM 640 OD1 ASN A 41 -4.474 -8.221 9.582 1.00 0.00 O ATOM 641 ND2 ASN A 41 -5.539 -6.862 8.146 1.00 0.00 N ATOM 0 H ASN A 41 -0.734 -7.881 8.142 1.00 0.00 H new ATOM 0 HA ASN A 41 -3.190 -7.434 6.554 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -2.506 -6.608 9.364 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -3.391 -5.470 8.368 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -6.433 -7.328 8.299 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -5.477 -6.076 7.498 1.00 0.00 H new ATOM 648 N TRP A 42 -0.436 -6.222 6.200 1.00 0.00 N ATOM 649 CA TRP A 42 0.413 -5.232 5.546 1.00 0.00 C ATOM 650 C TRP A 42 1.111 -5.831 4.331 1.00 0.00 C ATOM 651 O TRP A 42 1.164 -7.051 4.172 1.00 0.00 O ATOM 652 CB TRP A 42 1.451 -4.691 6.531 1.00 0.00 C ATOM 653 CG TRP A 42 0.867 -3.784 7.571 1.00 0.00 C ATOM 654 CD1 TRP A 42 0.309 -4.154 8.761 1.00 0.00 C ATOM 655 CD2 TRP A 42 0.782 -2.356 7.513 1.00 0.00 C ATOM 656 NE1 TRP A 42 -0.118 -3.042 9.446 1.00 0.00 N ATOM 657 CE2 TRP A 42 0.162 -1.927 8.702 1.00 0.00 C ATOM 658 CE3 TRP A 42 1.172 -1.398 6.572 1.00 0.00 C ATOM 659 CZ2 TRP A 42 -0.078 -0.582 8.973 1.00 0.00 C ATOM 660 CZ3 TRP A 42 0.933 -0.064 6.843 1.00 0.00 C ATOM 661 CH2 TRP A 42 0.314 0.334 8.035 1.00 0.00 C ATOM 0 H TRP A 42 0.000 -7.136 6.325 1.00 0.00 H new ATOM 0 HA TRP A 42 -0.221 -4.412 5.209 1.00 0.00 H new ATOM 0 HB2 TRP A 42 1.944 -5.529 7.025 1.00 0.00 H new ATOM 0 HB3 TRP A 42 2.219 -4.151 5.978 1.00 0.00 H new ATOM 0 HD1 TRP A 42 0.217 -5.171 9.112 1.00 0.00 H new ATOM 0 HE1 TRP A 42 -0.570 -3.046 10.360 1.00 0.00 H new ATOM 0 HE3 TRP A 42 1.651 -1.695 5.651 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 -0.556 -0.273 9.891 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 1.229 0.685 6.123 1.00 0.00 H new ATOM 0 HH2 TRP A 42 0.143 1.385 8.217 1.00 0.00 H new ATOM 672 N TYR A 43 1.645 -4.967 3.475 1.00 0.00 N ATOM 673 CA TYR A 43 2.338 -5.412 2.272 1.00 0.00 C ATOM 674 C TYR A 43 3.531 -4.511 1.965 1.00 0.00 C ATOM 675 O TYR A 43 3.815 -3.568 2.703 1.00 0.00 O ATOM 676 CB TYR A 43 1.378 -5.429 1.081 1.00 0.00 C ATOM 677 CG TYR A 43 0.614 -6.726 0.937 1.00 0.00 C ATOM 678 CD1 TYR A 43 1.278 -7.923 0.703 1.00 0.00 C ATOM 679 CD2 TYR A 43 -0.771 -6.753 1.036 1.00 0.00 C ATOM 680 CE1 TYR A 43 0.584 -9.110 0.570 1.00 0.00 C ATOM 681 CE2 TYR A 43 -1.473 -7.936 0.906 1.00 0.00 C ATOM 682 CZ TYR A 43 -0.791 -9.111 0.672 1.00 0.00 C ATOM 683 OH TYR A 43 -1.486 -10.292 0.542 1.00 0.00 O ATOM 0 H TYR A 43 1.611 -3.954 3.592 1.00 0.00 H new ATOM 0 HA TYR A 43 2.705 -6.423 2.449 1.00 0.00 H new ATOM 0 HB2 TYR A 43 0.668 -4.609 1.186 1.00 0.00 H new ATOM 0 HB3 TYR A 43 1.943 -5.247 0.167 1.00 0.00 H new ATOM 0 HD1 TYR A 43 2.355 -7.926 0.624 1.00 0.00 H new ATOM 0 HD2 TYR A 43 -1.308 -5.834 1.218 1.00 0.00 H new ATOM 0 HE1 TYR A 43 1.116 -10.032 0.387 1.00 0.00 H new ATOM 0 HE2 TYR A 43 -2.550 -7.940 0.987 1.00 0.00 H new ATOM 0 HH TYR A 43 -2.446 -10.119 0.641 1.00 0.00 H new ATOM 693 N GLU A 44 4.224 -4.810 0.871 1.00 0.00 N ATOM 694 CA GLU A 44 5.386 -4.028 0.467 1.00 0.00 C ATOM 695 C GLU A 44 5.563 -4.059 -1.049 1.00 0.00 C ATOM 696 O GLU A 44 5.670 -5.128 -1.650 1.00 0.00 O ATOM 697 CB GLU A 44 6.649 -4.558 1.149 1.00 0.00 C ATOM 698 CG GLU A 44 7.935 -3.970 0.593 1.00 0.00 C ATOM 699 CD GLU A 44 9.052 -3.936 1.618 1.00 0.00 C ATOM 700 OE1 GLU A 44 9.671 -4.994 1.855 1.00 0.00 O ATOM 701 OE2 GLU A 44 9.307 -2.851 2.182 1.00 0.00 O ATOM 0 H GLU A 44 4.001 -5.587 0.249 1.00 0.00 H new ATOM 0 HA GLU A 44 5.221 -2.996 0.776 1.00 0.00 H new ATOM 0 HB2 GLU A 44 6.593 -4.343 2.216 1.00 0.00 H new ATOM 0 HB3 GLU A 44 6.680 -5.642 1.044 1.00 0.00 H new ATOM 0 HG2 GLU A 44 8.255 -4.556 -0.269 1.00 0.00 H new ATOM 0 HG3 GLU A 44 7.743 -2.958 0.237 1.00 0.00 H new ATOM 708 N GLY A 45 5.592 -2.879 -1.660 1.00 0.00 N ATOM 709 CA GLY A 45 5.755 -2.793 -3.100 1.00 0.00 C ATOM 710 C GLY A 45 6.422 -1.503 -3.532 1.00 0.00 C ATOM 711 O GLY A 45 7.126 -0.868 -2.747 1.00 0.00 O ATOM 0 H GLY A 45 5.506 -1.981 -1.184 1.00 0.00 H new ATOM 0 HA2 GLY A 45 6.349 -3.639 -3.446 1.00 0.00 H new ATOM 0 HA3 GLY A 45 4.779 -2.871 -3.578 1.00 0.00 H new ATOM 715 N GLU A 46 6.202 -1.115 -4.784 1.00 0.00 N ATOM 716 CA GLU A 46 6.790 0.107 -5.319 1.00 0.00 C ATOM 717 C GLU A 46 5.722 0.992 -5.956 1.00 0.00 C ATOM 718 O GLU A 46 4.663 0.511 -6.362 1.00 0.00 O ATOM 719 CB GLU A 46 7.870 -0.228 -6.350 1.00 0.00 C ATOM 720 CG GLU A 46 8.286 0.957 -7.204 1.00 0.00 C ATOM 721 CD GLU A 46 9.240 0.569 -8.317 1.00 0.00 C ATOM 722 OE1 GLU A 46 10.419 0.290 -8.016 1.00 0.00 O ATOM 723 OE2 GLU A 46 8.807 0.543 -9.488 1.00 0.00 O ATOM 0 H GLU A 46 5.621 -1.629 -5.446 1.00 0.00 H new ATOM 0 HA GLU A 46 7.244 0.652 -4.492 1.00 0.00 H new ATOM 0 HB2 GLU A 46 8.747 -0.617 -5.832 1.00 0.00 H new ATOM 0 HB3 GLU A 46 7.505 -1.023 -7.000 1.00 0.00 H new ATOM 0 HG2 GLU A 46 7.398 1.418 -7.636 1.00 0.00 H new ATOM 0 HG3 GLU A 46 8.759 1.708 -6.571 1.00 0.00 H new ATOM 730 N HIS A 47 6.007 2.288 -6.039 1.00 0.00 N ATOM 731 CA HIS A 47 5.071 3.240 -6.626 1.00 0.00 C ATOM 732 C HIS A 47 5.774 4.551 -6.969 1.00 0.00 C ATOM 733 O HIS A 47 6.358 5.199 -6.100 1.00 0.00 O ATOM 734 CB HIS A 47 3.911 3.505 -5.666 1.00 0.00 C ATOM 735 CG HIS A 47 2.802 4.308 -6.274 1.00 0.00 C ATOM 736 ND1 HIS A 47 2.413 5.540 -5.792 1.00 0.00 N ATOM 737 CD2 HIS A 47 1.999 4.048 -7.332 1.00 0.00 C ATOM 738 CE1 HIS A 47 1.417 6.003 -6.526 1.00 0.00 C ATOM 739 NE2 HIS A 47 1.147 5.117 -7.468 1.00 0.00 N ATOM 0 H HIS A 47 6.878 2.702 -5.707 1.00 0.00 H new ATOM 0 HA HIS A 47 4.679 2.807 -7.546 1.00 0.00 H new ATOM 0 HB2 HIS A 47 3.511 2.552 -5.320 1.00 0.00 H new ATOM 0 HB3 HIS A 47 4.289 4.029 -4.788 1.00 0.00 H new ATOM 0 HD2 HIS A 47 2.023 3.165 -7.953 1.00 0.00 H new ATOM 0 HE1 HIS A 47 0.910 6.945 -6.381 1.00 0.00 H new ATOM 0 HE2 HIS A 47 0.423 5.211 -8.181 1.00 0.00 H new ATOM 748 N HIS A 48 5.712 4.935 -8.240 1.00 0.00 N ATOM 749 CA HIS A 48 6.343 6.168 -8.697 1.00 0.00 C ATOM 750 C HIS A 48 7.800 6.232 -8.249 1.00 0.00 C ATOM 751 O HIS A 48 8.277 7.274 -7.802 1.00 0.00 O ATOM 752 CB HIS A 48 5.580 7.382 -8.167 1.00 0.00 C ATOM 753 CG HIS A 48 5.674 8.584 -9.056 1.00 0.00 C ATOM 754 ND1 HIS A 48 4.580 9.146 -9.679 1.00 0.00 N ATOM 755 CD2 HIS A 48 6.741 9.331 -9.425 1.00 0.00 C ATOM 756 CE1 HIS A 48 4.970 10.187 -10.394 1.00 0.00 C ATOM 757 NE2 HIS A 48 6.277 10.321 -10.256 1.00 0.00 N ATOM 0 H HIS A 48 5.232 4.411 -8.971 1.00 0.00 H new ATOM 0 HA HIS A 48 6.316 6.179 -9.787 1.00 0.00 H new ATOM 0 HB2 HIS A 48 4.531 7.115 -8.041 1.00 0.00 H new ATOM 0 HB3 HIS A 48 5.964 7.640 -7.180 1.00 0.00 H new ATOM 0 HD2 HIS A 48 7.766 9.177 -9.122 1.00 0.00 H new ATOM 0 HE1 HIS A 48 4.329 10.820 -10.990 1.00 0.00 H new ATOM 0 HE2 HIS A 48 6.849 11.043 -10.695 1.00 0.00 H new ATOM 766 N GLY A 49 8.501 5.109 -8.370 1.00 0.00 N ATOM 767 CA GLY A 49 9.896 5.059 -7.972 1.00 0.00 C ATOM 768 C GLY A 49 10.073 5.124 -6.468 1.00 0.00 C ATOM 769 O GLY A 49 11.136 5.502 -5.977 1.00 0.00 O ATOM 0 H GLY A 49 8.128 4.233 -8.736 1.00 0.00 H new ATOM 0 HA2 GLY A 49 10.345 4.140 -8.348 1.00 0.00 H new ATOM 0 HA3 GLY A 49 10.432 5.888 -8.434 1.00 0.00 H new ATOM 773 N ARG A 50 9.027 4.755 -5.735 1.00 0.00 N ATOM 774 CA ARG A 50 9.071 4.776 -4.278 1.00 0.00 C ATOM 775 C ARG A 50 8.615 3.439 -3.701 1.00 0.00 C ATOM 776 O ARG A 50 7.487 3.003 -3.931 1.00 0.00 O ATOM 777 CB ARG A 50 8.190 5.903 -3.736 1.00 0.00 C ATOM 778 CG ARG A 50 8.601 6.387 -2.355 1.00 0.00 C ATOM 779 CD ARG A 50 8.077 7.787 -2.076 1.00 0.00 C ATOM 780 NE ARG A 50 8.704 8.787 -2.937 1.00 0.00 N ATOM 781 CZ ARG A 50 8.284 10.044 -3.029 1.00 0.00 C ATOM 782 NH1 ARG A 50 7.243 10.452 -2.317 1.00 0.00 N ATOM 783 NH2 ARG A 50 8.906 10.895 -3.835 1.00 0.00 N ATOM 0 H ARG A 50 8.140 4.438 -6.126 1.00 0.00 H new ATOM 0 HA ARG A 50 10.103 4.951 -3.974 1.00 0.00 H new ATOM 0 HB2 ARG A 50 8.221 6.743 -4.430 1.00 0.00 H new ATOM 0 HB3 ARG A 50 7.156 5.559 -3.698 1.00 0.00 H new ATOM 0 HG2 ARG A 50 8.222 5.698 -1.600 1.00 0.00 H new ATOM 0 HG3 ARG A 50 9.688 6.382 -2.275 1.00 0.00 H new ATOM 0 HD2 ARG A 50 6.997 7.806 -2.224 1.00 0.00 H new ATOM 0 HD3 ARG A 50 8.260 8.041 -1.032 1.00 0.00 H new ATOM 0 HE ARG A 50 9.508 8.505 -3.498 1.00 0.00 H new ATOM 0 HH11 ARG A 50 6.762 9.800 -1.697 1.00 0.00 H new ATOM 0 HH12 ARG A 50 6.923 11.418 -2.389 1.00 0.00 H new ATOM 0 HH21 ARG A 50 9.707 10.584 -4.384 1.00 0.00 H new ATOM 0 HH22 ARG A 50 8.583 11.860 -3.905 1.00 0.00 H new ATOM 797 N VAL A 51 9.501 2.791 -2.951 1.00 0.00 N ATOM 798 CA VAL A 51 9.191 1.503 -2.342 1.00 0.00 C ATOM 799 C VAL A 51 8.851 1.663 -0.864 1.00 0.00 C ATOM 800 O VAL A 51 9.614 2.253 -0.101 1.00 0.00 O ATOM 801 CB VAL A 51 10.365 0.517 -2.483 1.00 0.00 C ATOM 802 CG1 VAL A 51 10.081 -0.766 -1.718 1.00 0.00 C ATOM 803 CG2 VAL A 51 10.640 0.223 -3.950 1.00 0.00 C ATOM 0 H VAL A 51 10.439 3.137 -2.751 1.00 0.00 H new ATOM 0 HA VAL A 51 8.326 1.103 -2.871 1.00 0.00 H new ATOM 0 HB VAL A 51 11.256 0.977 -2.055 1.00 0.00 H new ATOM 0 HG11 VAL A 51 10.922 -1.450 -1.830 1.00 0.00 H new ATOM 0 HG12 VAL A 51 9.938 -0.536 -0.662 1.00 0.00 H new ATOM 0 HG13 VAL A 51 9.179 -1.233 -2.113 1.00 0.00 H new ATOM 0 HG21 VAL A 51 11.473 -0.476 -4.031 1.00 0.00 H new ATOM 0 HG22 VAL A 51 9.752 -0.216 -4.406 1.00 0.00 H new ATOM 0 HG23 VAL A 51 10.892 1.150 -4.466 1.00 0.00 H new ATOM 813 N GLY A 52 7.699 1.132 -0.466 1.00 0.00 N ATOM 814 CA GLY A 52 7.278 1.225 0.919 1.00 0.00 C ATOM 815 C GLY A 52 6.235 0.186 1.280 1.00 0.00 C ATOM 816 O GLY A 52 5.834 -0.618 0.438 1.00 0.00 O ATOM 0 H GLY A 52 7.050 0.639 -1.079 1.00 0.00 H new ATOM 0 HA2 GLY A 52 8.146 1.105 1.568 1.00 0.00 H new ATOM 0 HA3 GLY A 52 6.875 2.220 1.107 1.00 0.00 H new ATOM 820 N ILE A 53 5.795 0.201 2.534 1.00 0.00 N ATOM 821 CA ILE A 53 4.793 -0.747 3.003 1.00 0.00 C ATOM 822 C ILE A 53 3.416 -0.099 3.080 1.00 0.00 C ATOM 823 O ILE A 53 3.296 1.125 3.145 1.00 0.00 O ATOM 824 CB ILE A 53 5.160 -1.314 4.388 1.00 0.00 C ATOM 825 CG1 ILE A 53 4.982 -0.242 5.465 1.00 0.00 C ATOM 826 CG2 ILE A 53 6.588 -1.838 4.384 1.00 0.00 C ATOM 827 CD1 ILE A 53 5.106 -0.776 6.875 1.00 0.00 C ATOM 0 H ILE A 53 6.117 0.860 3.243 1.00 0.00 H new ATOM 0 HA ILE A 53 4.767 -1.563 2.280 1.00 0.00 H new ATOM 0 HB ILE A 53 4.490 -2.144 4.614 1.00 0.00 H new ATOM 0 HG12 ILE A 53 5.726 0.540 5.314 1.00 0.00 H new ATOM 0 HG13 ILE A 53 4.003 0.222 5.346 1.00 0.00 H new ATOM 0 HG21 ILE A 53 6.833 -2.235 5.369 1.00 0.00 H new ATOM 0 HG22 ILE A 53 6.683 -2.629 3.640 1.00 0.00 H new ATOM 0 HG23 ILE A 53 7.273 -1.026 4.140 1.00 0.00 H new ATOM 0 HD11 ILE A 53 4.969 0.039 7.586 1.00 0.00 H new ATOM 0 HD12 ILE A 53 4.344 -1.537 7.044 1.00 0.00 H new ATOM 0 HD13 ILE A 53 6.094 -1.215 7.012 1.00 0.00 H new ATOM 839 N PHE A 54 2.377 -0.927 3.074 1.00 0.00 N ATOM 840 CA PHE A 54 1.006 -0.435 3.144 1.00 0.00 C ATOM 841 C PHE A 54 0.039 -1.565 3.486 1.00 0.00 C ATOM 842 O PHE A 54 0.304 -2.740 3.235 1.00 0.00 O ATOM 843 CB PHE A 54 0.605 0.210 1.816 1.00 0.00 C ATOM 844 CG PHE A 54 1.005 -0.596 0.613 1.00 0.00 C ATOM 845 CD1 PHE A 54 0.201 -1.625 0.153 1.00 0.00 C ATOM 846 CD2 PHE A 54 2.187 -0.324 -0.057 1.00 0.00 C ATOM 847 CE1 PHE A 54 0.566 -2.368 -0.954 1.00 0.00 C ATOM 848 CE2 PHE A 54 2.558 -1.063 -1.164 1.00 0.00 C ATOM 849 CZ PHE A 54 1.747 -2.087 -1.613 1.00 0.00 C ATOM 0 H PHE A 54 2.458 -1.942 3.021 1.00 0.00 H new ATOM 0 HA PHE A 54 0.955 0.314 3.934 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -0.475 0.355 1.803 1.00 0.00 H new ATOM 0 HB3 PHE A 54 1.060 1.198 1.749 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -0.723 -1.850 0.665 1.00 0.00 H new ATOM 0 HD2 PHE A 54 2.826 0.475 0.290 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -0.071 -3.167 -1.303 1.00 0.00 H new ATOM 0 HE2 PHE A 54 3.481 -0.840 -1.678 1.00 0.00 H new ATOM 0 HZ PHE A 54 2.036 -2.667 -2.477 1.00 0.00 H new ATOM 859 N PRO A 55 -1.111 -1.201 4.074 1.00 0.00 N ATOM 860 CA PRO A 55 -2.141 -2.168 4.464 1.00 0.00 C ATOM 861 C PRO A 55 -2.840 -2.788 3.259 1.00 0.00 C ATOM 862 O PRO A 55 -3.119 -2.107 2.273 1.00 0.00 O ATOM 863 CB PRO A 55 -3.126 -1.327 5.279 1.00 0.00 C ATOM 864 CG PRO A 55 -2.945 0.063 4.776 1.00 0.00 C ATOM 865 CD PRO A 55 -1.493 0.182 4.403 1.00 0.00 C ATOM 0 HA PRO A 55 -1.722 -3.011 5.014 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -4.151 -1.669 5.136 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -2.914 -1.392 6.346 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -3.586 0.253 3.915 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -3.213 0.793 5.540 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -1.350 0.851 3.555 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -0.898 0.578 5.226 1.00 0.00 H new ATOM 873 N ARG A 56 -3.120 -4.085 3.346 1.00 0.00 N ATOM 874 CA ARG A 56 -3.786 -4.797 2.262 1.00 0.00 C ATOM 875 C ARG A 56 -5.244 -4.364 2.141 1.00 0.00 C ATOM 876 O ARG A 56 -5.764 -4.194 1.038 1.00 0.00 O ATOM 877 CB ARG A 56 -3.708 -6.307 2.492 1.00 0.00 C ATOM 878 CG ARG A 56 -4.374 -6.762 3.780 1.00 0.00 C ATOM 879 CD ARG A 56 -4.469 -8.278 3.853 1.00 0.00 C ATOM 880 NE ARG A 56 -5.218 -8.723 5.025 1.00 0.00 N ATOM 881 CZ ARG A 56 -5.205 -9.974 5.474 1.00 0.00 C ATOM 882 NH1 ARG A 56 -4.485 -10.897 4.851 1.00 0.00 N ATOM 883 NH2 ARG A 56 -5.912 -10.302 6.547 1.00 0.00 N ATOM 0 H ARG A 56 -2.896 -4.663 4.156 1.00 0.00 H new ATOM 0 HA ARG A 56 -3.274 -4.551 1.331 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -4.176 -6.819 1.651 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -2.661 -6.610 2.508 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -3.808 -6.390 4.634 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -5.373 -6.330 3.847 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -4.950 -8.655 2.951 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -3.466 -8.703 3.881 1.00 0.00 H new ATOM 0 HE ARG A 56 -5.782 -8.037 5.526 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -3.940 -10.647 4.026 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -4.476 -11.856 5.197 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -6.466 -9.594 7.028 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -5.901 -11.262 6.891 1.00 0.00 H new ATOM 897 N THR A 57 -5.899 -4.186 3.285 1.00 0.00 N ATOM 898 CA THR A 57 -7.297 -3.775 3.308 1.00 0.00 C ATOM 899 C THR A 57 -7.522 -2.542 2.439 1.00 0.00 C ATOM 900 O THR A 57 -8.630 -2.304 1.958 1.00 0.00 O ATOM 901 CB THR A 57 -7.769 -3.471 4.742 1.00 0.00 C ATOM 902 OG1 THR A 57 -9.187 -3.266 4.759 1.00 0.00 O ATOM 903 CG2 THR A 57 -7.067 -2.239 5.294 1.00 0.00 C ATOM 0 H THR A 57 -5.483 -4.320 4.207 1.00 0.00 H new ATOM 0 HA THR A 57 -7.878 -4.607 2.911 1.00 0.00 H new ATOM 0 HB THR A 57 -7.518 -4.325 5.371 1.00 0.00 H new ATOM 0 HG1 THR A 57 -9.479 -3.075 5.675 1.00 0.00 H new ATOM 0 HG21 THR A 57 -7.417 -2.044 6.308 1.00 0.00 H new ATOM 0 HG22 THR A 57 -5.990 -2.409 5.308 1.00 0.00 H new ATOM 0 HG23 THR A 57 -7.290 -1.379 4.662 1.00 0.00 H new ATOM 911 N TYR A 58 -6.466 -1.762 2.242 1.00 0.00 N ATOM 912 CA TYR A 58 -6.549 -0.553 1.432 1.00 0.00 C ATOM 913 C TYR A 58 -6.485 -0.887 -0.055 1.00 0.00 C ATOM 914 O TYR A 58 -7.071 -0.192 -0.884 1.00 0.00 O ATOM 915 CB TYR A 58 -5.418 0.410 1.799 1.00 0.00 C ATOM 916 CG TYR A 58 -5.777 1.370 2.911 1.00 0.00 C ATOM 917 CD1 TYR A 58 -6.010 0.913 4.202 1.00 0.00 C ATOM 918 CD2 TYR A 58 -5.885 2.734 2.670 1.00 0.00 C ATOM 919 CE1 TYR A 58 -6.339 1.786 5.221 1.00 0.00 C ATOM 920 CE2 TYR A 58 -6.212 3.615 3.683 1.00 0.00 C ATOM 921 CZ TYR A 58 -6.438 3.136 4.956 1.00 0.00 C ATOM 922 OH TYR A 58 -6.765 4.009 5.968 1.00 0.00 O ATOM 0 H TYR A 58 -5.542 -1.945 2.632 1.00 0.00 H new ATOM 0 HA TYR A 58 -7.507 -0.074 1.637 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -4.543 -0.167 2.097 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -5.137 0.981 0.914 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -5.933 -0.143 4.413 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -5.710 3.112 1.674 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -6.518 1.414 6.219 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -6.290 4.673 3.479 1.00 0.00 H new ATOM 0 HH TYR A 58 -6.792 4.923 5.615 1.00 0.00 H new ATOM 932 N ILE A 59 -5.769 -1.957 -0.383 1.00 0.00 N ATOM 933 CA ILE A 59 -5.629 -2.386 -1.769 1.00 0.00 C ATOM 934 C ILE A 59 -6.392 -3.682 -2.023 1.00 0.00 C ATOM 935 O ILE A 59 -6.970 -4.263 -1.106 1.00 0.00 O ATOM 936 CB ILE A 59 -4.151 -2.591 -2.149 1.00 0.00 C ATOM 937 CG1 ILE A 59 -3.557 -3.760 -1.362 1.00 0.00 C ATOM 938 CG2 ILE A 59 -3.358 -1.317 -1.896 1.00 0.00 C ATOM 939 CD1 ILE A 59 -3.767 -5.104 -2.025 1.00 0.00 C ATOM 0 H ILE A 59 -5.277 -2.543 0.292 1.00 0.00 H new ATOM 0 HA ILE A 59 -6.048 -1.593 -2.388 1.00 0.00 H new ATOM 0 HB ILE A 59 -4.093 -2.827 -3.212 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -2.488 -3.592 -1.230 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -4.002 -3.781 -0.367 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -2.315 -1.477 -2.169 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -3.770 -0.506 -2.497 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -3.420 -1.053 -0.840 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -3.320 -5.886 -1.411 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -4.835 -5.293 -2.133 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -3.298 -5.102 -3.009 1.00 0.00 H new ATOM 951 N GLU A 60 -6.386 -4.130 -3.275 1.00 0.00 N ATOM 952 CA GLU A 60 -7.077 -5.359 -3.649 1.00 0.00 C ATOM 953 C GLU A 60 -6.324 -6.091 -4.756 1.00 0.00 C ATOM 954 O GLU A 60 -6.266 -5.627 -5.896 1.00 0.00 O ATOM 955 CB GLU A 60 -8.504 -5.049 -4.106 1.00 0.00 C ATOM 956 CG GLU A 60 -9.175 -6.203 -4.832 1.00 0.00 C ATOM 957 CD GLU A 60 -10.683 -6.195 -4.673 1.00 0.00 C ATOM 958 OE1 GLU A 60 -11.175 -5.539 -3.731 1.00 0.00 O ATOM 959 OE2 GLU A 60 -11.370 -6.843 -5.489 1.00 0.00 O ATOM 0 H GLU A 60 -5.911 -3.661 -4.046 1.00 0.00 H new ATOM 0 HA GLU A 60 -7.117 -6.005 -2.772 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -9.104 -4.779 -3.237 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -8.485 -4.179 -4.763 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -8.925 -6.155 -5.892 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -8.779 -7.145 -4.453 1.00 0.00 H new ATOM 966 N LEU A 61 -5.747 -7.237 -4.413 1.00 0.00 N ATOM 967 CA LEU A 61 -4.997 -8.035 -5.377 1.00 0.00 C ATOM 968 C LEU A 61 -5.845 -8.343 -6.606 1.00 0.00 C ATOM 969 O LEU A 61 -6.886 -8.993 -6.509 1.00 0.00 O ATOM 970 CB LEU A 61 -4.522 -9.338 -4.731 1.00 0.00 C ATOM 971 CG LEU A 61 -3.561 -9.191 -3.551 1.00 0.00 C ATOM 972 CD1 LEU A 61 -3.590 -10.437 -2.680 1.00 0.00 C ATOM 973 CD2 LEU A 61 -2.148 -8.916 -4.045 1.00 0.00 C ATOM 0 H LEU A 61 -5.784 -7.635 -3.474 1.00 0.00 H new ATOM 0 HA LEU A 61 -4.129 -7.456 -5.693 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -5.397 -9.893 -4.394 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -4.036 -9.943 -5.496 1.00 0.00 H new ATOM 0 HG LEU A 61 -3.885 -8.343 -2.947 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -2.900 -10.314 -1.845 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -4.599 -10.590 -2.297 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -3.292 -11.302 -3.272 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -1.478 -8.814 -3.192 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -1.814 -9.743 -4.672 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -2.139 -7.994 -4.626 1.00 0.00 H new ATOM 985 N LEU A 62 -5.391 -7.874 -7.764 1.00 0.00 N ATOM 986 CA LEU A 62 -6.107 -8.101 -9.014 1.00 0.00 C ATOM 987 C LEU A 62 -5.909 -9.533 -9.503 1.00 0.00 C ATOM 988 O LEU A 62 -6.869 -10.216 -9.860 1.00 0.00 O ATOM 989 CB LEU A 62 -5.632 -7.115 -10.083 1.00 0.00 C ATOM 990 CG LEU A 62 -6.069 -5.662 -9.897 1.00 0.00 C ATOM 991 CD1 LEU A 62 -5.314 -4.751 -10.852 1.00 0.00 C ATOM 992 CD2 LEU A 62 -7.571 -5.525 -10.102 1.00 0.00 C ATOM 0 H LEU A 62 -4.531 -7.335 -7.863 1.00 0.00 H new ATOM 0 HA LEU A 62 -7.170 -7.943 -8.829 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -4.543 -7.144 -10.118 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -5.991 -7.460 -11.053 1.00 0.00 H new ATOM 0 HG LEU A 62 -5.833 -5.360 -8.876 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -5.638 -3.721 -10.705 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -4.244 -4.826 -10.657 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -5.517 -5.052 -11.880 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -7.863 -4.484 -9.966 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -7.831 -5.846 -11.111 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -8.095 -6.147 -9.377 1.00 0.00 H new ATOM 1004 N SER A 63 -4.658 -9.981 -9.514 1.00 0.00 N ATOM 1005 CA SER A 63 -4.333 -11.330 -9.960 1.00 0.00 C ATOM 1006 C SER A 63 -4.619 -12.349 -8.861 1.00 0.00 C ATOM 1007 O SER A 63 -4.950 -11.986 -7.733 1.00 0.00 O ATOM 1008 CB SER A 63 -2.863 -11.413 -10.377 1.00 0.00 C ATOM 1009 OG SER A 63 -2.006 -11.209 -9.267 1.00 0.00 O ATOM 0 H SER A 63 -3.853 -9.429 -9.219 1.00 0.00 H new ATOM 0 HA SER A 63 -4.961 -11.562 -10.820 1.00 0.00 H new ATOM 0 HB2 SER A 63 -2.662 -12.388 -10.821 1.00 0.00 H new ATOM 0 HB3 SER A 63 -2.656 -10.665 -11.143 1.00 0.00 H new ATOM 0 HG SER A 63 -1.128 -11.601 -9.455 1.00 0.00 H new ATOM 1015 N GLY A 64 -4.490 -13.629 -9.201 1.00 0.00 N ATOM 1016 CA GLY A 64 -4.739 -14.681 -8.233 1.00 0.00 C ATOM 1017 C GLY A 64 -5.465 -15.866 -8.840 1.00 0.00 C ATOM 1018 O GLY A 64 -6.034 -15.782 -9.928 1.00 0.00 O ATOM 0 H GLY A 64 -4.218 -13.955 -10.128 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -3.791 -15.016 -7.813 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -5.329 -14.280 -7.409 1.00 0.00 H new ATOM 1022 N PRO A 65 -5.449 -17.002 -8.127 1.00 0.00 N ATOM 1023 CA PRO A 65 -6.105 -18.231 -8.582 1.00 0.00 C ATOM 1024 C PRO A 65 -7.626 -18.121 -8.556 1.00 0.00 C ATOM 1025 O PRO A 65 -8.222 -17.874 -7.507 1.00 0.00 O ATOM 1026 CB PRO A 65 -5.628 -19.282 -7.577 1.00 0.00 C ATOM 1027 CG PRO A 65 -5.299 -18.508 -6.347 1.00 0.00 C ATOM 1028 CD PRO A 65 -4.790 -17.175 -6.822 1.00 0.00 C ATOM 0 HA PRO A 65 -5.855 -18.466 -9.616 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -6.402 -20.024 -7.383 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -4.757 -19.821 -7.951 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -6.179 -18.387 -5.715 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -4.546 -19.024 -5.751 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -5.053 -16.375 -6.130 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -3.704 -17.170 -6.917 1.00 0.00 H new ATOM 1036 N SER A 66 -8.249 -18.306 -9.716 1.00 0.00 N ATOM 1037 CA SER A 66 -9.700 -18.223 -9.826 1.00 0.00 C ATOM 1038 C SER A 66 -10.314 -19.612 -9.972 1.00 0.00 C ATOM 1039 O SER A 66 -9.706 -20.514 -10.548 1.00 0.00 O ATOM 1040 CB SER A 66 -10.094 -17.351 -11.020 1.00 0.00 C ATOM 1041 OG SER A 66 -11.435 -16.907 -10.907 1.00 0.00 O ATOM 0 H SER A 66 -7.771 -18.514 -10.593 1.00 0.00 H new ATOM 0 HA SER A 66 -10.083 -17.769 -8.912 1.00 0.00 H new ATOM 0 HB2 SER A 66 -9.427 -16.491 -11.082 1.00 0.00 H new ATOM 0 HB3 SER A 66 -9.972 -17.917 -11.944 1.00 0.00 H new ATOM 0 HG SER A 66 -11.662 -16.350 -11.681 1.00 0.00 H new ATOM 1047 N SER A 67 -11.523 -19.777 -9.444 1.00 0.00 N ATOM 1048 CA SER A 67 -12.219 -21.056 -9.512 1.00 0.00 C ATOM 1049 C SER A 67 -12.416 -21.492 -10.961 1.00 0.00 C ATOM 1050 O SER A 67 -12.163 -22.643 -11.315 1.00 0.00 O ATOM 1051 CB SER A 67 -13.573 -20.962 -8.807 1.00 0.00 C ATOM 1052 OG SER A 67 -14.200 -22.231 -8.734 1.00 0.00 O ATOM 0 H SER A 67 -12.041 -19.040 -8.964 1.00 0.00 H new ATOM 0 HA SER A 67 -11.606 -21.802 -9.007 1.00 0.00 H new ATOM 0 HB2 SER A 67 -13.436 -20.562 -7.802 1.00 0.00 H new ATOM 0 HB3 SER A 67 -14.218 -20.265 -9.342 1.00 0.00 H new ATOM 0 HG SER A 67 -15.063 -22.144 -8.278 1.00 0.00 H new ATOM 1058 N GLY A 68 -12.870 -20.562 -11.795 1.00 0.00 N ATOM 1059 CA GLY A 68 -13.094 -20.868 -13.196 1.00 0.00 C ATOM 1060 C GLY A 68 -13.792 -22.199 -13.395 1.00 0.00 C ATOM 1061 O GLY A 68 -14.968 -22.243 -13.754 1.00 0.00 O ATOM 0 H GLY A 68 -13.087 -19.602 -11.526 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -13.693 -20.076 -13.646 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -12.138 -20.881 -13.719 1.00 0.00 H new TER 1065 GLY A 68