USER MOD reduce.3.24.130724 H: found=0, std=0, add=534, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 536 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 834 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 835 ASN : amide:sc= -1.11! C(o=-1.1!,f=-3.8!) USER MOD Set 2.1: A 786 THR OG1 : rot 116:sc= 0.309 USER MOD Set 2.2: A 841 TYR OH : rot 30:sc= 0.223 USER MOD Single : A 783 THR OG1 : rot 180:sc= 0 USER MOD Single : A 788 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 791 TYR OH : rot 180:sc= 0 USER MOD Single : A 794 CYS SG : rot 180:sc= 0 USER MOD Single : A 799 SER OG : rot 180:sc= 0.0693 USER MOD Single : A 802 SER OG : rot 16:sc= 0.101 USER MOD Single : A 804 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 810 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 813 ASN : amide:sc= -0.189 K(o=-0.19,f=-2.5!) USER MOD Single : A 814 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 815 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 817 GLN : amide:sc= -0.0124 X(o=-0.012,f=0) USER MOD Single : A 818 GLN : amide:sc= 0 X(o=0,f=-0.095) USER MOD Single : A 826 TYR OH : rot 115:sc= 1.07 USER MOD Single : A 836 TYR OH : rot 180:sc= 0 USER MOD Single : A 842 SER OG : rot 180:sc= 0 USER MOD Single : A 844 TYR OH : rot 180:sc= 0 USER MOD Single : A 848 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 780 -0.271 -1.954 -3.316 1.00 5.13 N ATOM 2 CA GLY A 780 0.299 -2.445 -2.072 1.00 61.04 C ATOM 3 C GLY A 780 0.550 -1.297 -1.093 1.00 45.41 C ATOM 4 O GLY A 780 0.276 -0.139 -1.405 1.00 4.10 O ATOM 0 HA2 GLY A 780 -0.376 -3.172 -1.620 1.00 61.04 H new ATOM 0 HA3 GLY A 780 1.235 -2.964 -2.277 1.00 61.04 H new ATOM 8 N PRO A 781 1.083 -1.667 0.102 1.00 11.13 N ATOM 9 CA PRO A 781 1.374 -0.681 1.129 1.00 23.12 C ATOM 10 C PRO A 781 2.630 0.121 0.779 1.00 35.32 C ATOM 11 O PRO A 781 3.744 -0.392 0.873 1.00 51.52 O ATOM 12 CB PRO A 781 1.520 -1.482 2.413 1.00 14.31 C ATOM 13 CG PRO A 781 1.765 -2.919 1.983 1.00 44.33 C ATOM 14 CD PRO A 781 1.420 -3.029 0.507 1.00 44.45 C ATOM 0 HA PRO A 781 0.588 0.067 1.229 1.00 23.12 H new ATOM 0 HB2 PRO A 781 2.348 -1.108 3.015 1.00 14.31 H new ATOM 0 HB3 PRO A 781 0.621 -1.405 3.025 1.00 14.31 H new ATOM 0 HG2 PRO A 781 2.805 -3.196 2.154 1.00 44.33 H new ATOM 0 HG3 PRO A 781 1.152 -3.603 2.570 1.00 44.33 H new ATOM 0 HD2 PRO A 781 2.261 -3.416 -0.068 1.00 44.45 H new ATOM 0 HD3 PRO A 781 0.583 -3.709 0.346 1.00 44.45 H new ATOM 22 N GLY A 782 2.407 1.365 0.383 1.00 14.35 N ATOM 23 CA GLY A 782 3.506 2.243 0.019 1.00 12.12 C ATOM 24 C GLY A 782 3.131 3.126 -1.173 1.00 34.02 C ATOM 25 O GLY A 782 3.836 3.147 -2.180 1.00 54.14 O ATOM 0 H GLY A 782 1.481 1.786 0.306 1.00 14.35 H new ATOM 0 HA2 GLY A 782 3.773 2.869 0.870 1.00 12.12 H new ATOM 0 HA3 GLY A 782 4.385 1.648 -0.227 1.00 12.12 H new ATOM 29 N THR A 783 2.021 3.833 -1.018 1.00 51.33 N ATOM 30 CA THR A 783 1.544 4.716 -2.069 1.00 74.24 C ATOM 31 C THR A 783 2.680 5.608 -2.573 1.00 74.15 C ATOM 32 O THR A 783 3.601 5.929 -1.824 1.00 55.41 O ATOM 33 CB THR A 783 0.351 5.502 -1.521 1.00 60.02 C ATOM 34 OG1 THR A 783 -0.617 4.500 -1.222 1.00 12.21 O ATOM 35 CG2 THR A 783 -0.323 6.364 -2.590 1.00 53.23 C ATOM 0 H THR A 783 1.439 3.812 -0.181 1.00 51.33 H new ATOM 0 HA THR A 783 1.207 4.151 -2.938 1.00 74.24 H new ATOM 0 HB THR A 783 0.681 6.136 -0.699 1.00 60.02 H new ATOM 0 HG1 THR A 783 -1.424 4.922 -0.859 1.00 12.21 H new ATOM 0 HG21 THR A 783 -1.163 6.900 -2.149 1.00 53.23 H new ATOM 0 HG22 THR A 783 0.397 7.080 -2.987 1.00 53.23 H new ATOM 0 HG23 THR A 783 -0.684 5.727 -3.397 1.00 53.23 H new ATOM 43 N PHE A 784 2.577 5.983 -3.840 1.00 61.31 N ATOM 44 CA PHE A 784 3.585 6.832 -4.453 1.00 75.43 C ATOM 45 C PHE A 784 2.946 8.067 -5.091 1.00 42.11 C ATOM 46 O PHE A 784 1.733 8.255 -5.010 1.00 43.25 O ATOM 47 CB PHE A 784 4.264 6.002 -5.545 1.00 0.33 C ATOM 48 CG PHE A 784 5.178 4.898 -5.009 1.00 75.11 C ATOM 49 CD1 PHE A 784 6.206 5.210 -4.176 1.00 12.53 C ATOM 50 CD2 PHE A 784 4.961 3.604 -5.366 1.00 62.44 C ATOM 51 CE1 PHE A 784 7.054 4.185 -3.679 1.00 15.54 C ATOM 52 CE2 PHE A 784 5.809 2.579 -4.869 1.00 71.43 C ATOM 53 CZ PHE A 784 6.837 2.891 -4.036 1.00 2.21 C ATOM 0 H PHE A 784 1.812 5.715 -4.458 1.00 61.31 H new ATOM 0 HA PHE A 784 4.295 7.172 -3.699 1.00 75.43 H new ATOM 0 HB2 PHE A 784 3.497 5.551 -6.174 1.00 0.33 H new ATOM 0 HB3 PHE A 784 4.848 6.666 -6.182 1.00 0.33 H new ATOM 0 HD1 PHE A 784 6.378 6.238 -3.892 1.00 12.53 H new ATOM 0 HD2 PHE A 784 4.144 3.356 -6.027 1.00 62.44 H new ATOM 0 HE1 PHE A 784 7.871 4.433 -3.018 1.00 15.54 H new ATOM 0 HE2 PHE A 784 5.637 1.551 -5.153 1.00 71.43 H new ATOM 0 HZ PHE A 784 7.481 2.111 -3.658 1.00 2.21 H new ATOM 63 N GLY A 785 3.792 8.877 -5.711 1.00 14.42 N ATOM 64 CA GLY A 785 3.325 10.090 -6.362 1.00 62.31 C ATOM 65 C GLY A 785 4.145 10.387 -7.620 1.00 33.44 C ATOM 66 O GLY A 785 4.081 9.642 -8.597 1.00 14.13 O ATOM 0 H GLY A 785 4.797 8.717 -5.776 1.00 14.42 H new ATOM 0 HA2 GLY A 785 2.273 9.983 -6.626 1.00 62.31 H new ATOM 0 HA3 GLY A 785 3.397 10.929 -5.670 1.00 62.31 H new ATOM 70 N THR A 786 4.896 11.476 -7.554 1.00 71.02 N ATOM 71 CA THR A 786 5.727 11.880 -8.675 1.00 51.44 C ATOM 72 C THR A 786 7.094 12.357 -8.181 1.00 62.12 C ATOM 73 O THR A 786 7.364 12.343 -6.981 1.00 52.32 O ATOM 74 CB THR A 786 4.964 12.942 -9.470 1.00 43.23 C ATOM 75 OG1 THR A 786 4.331 13.736 -8.471 1.00 3.23 O ATOM 76 CG2 THR A 786 3.801 12.352 -10.269 1.00 73.14 C ATOM 0 H THR A 786 4.946 12.091 -6.742 1.00 71.02 H new ATOM 0 HA THR A 786 5.931 11.040 -9.339 1.00 51.44 H new ATOM 0 HB THR A 786 5.650 13.449 -10.148 1.00 43.23 H new ATOM 0 HG1 THR A 786 4.693 14.646 -8.499 1.00 3.23 H new ATOM 0 HG21 THR A 786 3.294 13.148 -10.814 1.00 73.14 H new ATOM 0 HG22 THR A 786 4.182 11.614 -10.975 1.00 73.14 H new ATOM 0 HG23 THR A 786 3.097 11.873 -9.588 1.00 73.14 H new ATOM 84 N ALA A 787 7.921 12.767 -9.132 1.00 23.14 N ATOM 85 CA ALA A 787 9.254 13.247 -8.808 1.00 21.30 C ATOM 86 C ALA A 787 9.685 14.282 -9.848 1.00 42.34 C ATOM 87 O ALA A 787 10.034 13.929 -10.974 1.00 32.12 O ATOM 88 CB ALA A 787 10.219 12.062 -8.730 1.00 73.45 C ATOM 0 H ALA A 787 7.694 12.777 -10.126 1.00 23.14 H new ATOM 0 HA ALA A 787 9.259 13.736 -7.834 1.00 21.30 H new ATOM 0 HB1 ALA A 787 11.219 12.422 -8.487 1.00 73.45 H new ATOM 0 HB2 ALA A 787 9.884 11.371 -7.957 1.00 73.45 H new ATOM 0 HB3 ALA A 787 10.242 11.548 -9.691 1.00 73.45 H new ATOM 94 N LYS A 788 9.647 15.541 -9.435 1.00 62.42 N ATOM 95 CA LYS A 788 10.030 16.630 -10.317 1.00 74.14 C ATOM 96 C LYS A 788 11.552 16.648 -10.468 1.00 61.23 C ATOM 97 O LYS A 788 12.272 16.906 -9.505 1.00 31.11 O ATOM 98 CB LYS A 788 9.445 17.953 -9.819 1.00 45.30 C ATOM 99 CG LYS A 788 9.073 18.864 -10.991 1.00 5.33 C ATOM 100 CD LYS A 788 8.079 19.942 -10.553 1.00 63.12 C ATOM 101 CE LYS A 788 8.313 21.246 -11.317 1.00 43.54 C ATOM 102 NZ LYS A 788 7.280 22.246 -10.965 1.00 63.00 N ATOM 0 H LYS A 788 9.357 15.831 -8.501 1.00 62.42 H new ATOM 0 HA LYS A 788 9.613 16.478 -11.313 1.00 74.14 H new ATOM 0 HB2 LYS A 788 8.562 17.758 -9.211 1.00 45.30 H new ATOM 0 HB3 LYS A 788 10.169 18.456 -9.178 1.00 45.30 H new ATOM 0 HG2 LYS A 788 9.972 19.334 -11.391 1.00 5.33 H new ATOM 0 HG3 LYS A 788 8.639 18.269 -11.795 1.00 5.33 H new ATOM 0 HD2 LYS A 788 7.060 19.594 -10.724 1.00 63.12 H new ATOM 0 HD3 LYS A 788 8.179 20.121 -9.482 1.00 63.12 H new ATOM 0 HE2 LYS A 788 9.302 21.639 -11.083 1.00 43.54 H new ATOM 0 HE3 LYS A 788 8.292 21.055 -12.390 1.00 43.54 H new ATOM 0 HZ1 LYS A 788 7.454 23.125 -11.493 1.00 63.00 H new ATOM 0 HZ2 LYS A 788 6.340 21.875 -11.210 1.00 63.00 H new ATOM 0 HZ3 LYS A 788 7.319 22.441 -9.944 1.00 63.00 H new ATOM 115 N ALA A 789 11.997 16.370 -11.685 1.00 4.21 N ATOM 116 CA ALA A 789 13.421 16.351 -11.974 1.00 42.14 C ATOM 117 C ALA A 789 14.020 17.723 -11.657 1.00 22.33 C ATOM 118 O ALA A 789 13.535 18.743 -12.142 1.00 12.42 O ATOM 119 CB ALA A 789 13.640 15.943 -13.432 1.00 64.44 C ATOM 0 H ALA A 789 11.397 16.156 -12.482 1.00 4.21 H new ATOM 0 HA ALA A 789 13.930 15.617 -11.349 1.00 42.14 H new ATOM 0 HB1 ALA A 789 14.708 15.929 -13.649 1.00 64.44 H new ATOM 0 HB2 ALA A 789 13.222 14.950 -13.599 1.00 64.44 H new ATOM 0 HB3 ALA A 789 13.146 16.659 -14.088 1.00 64.44 H new ATOM 125 N ARG A 790 15.066 17.702 -10.844 1.00 4.10 N ATOM 126 CA ARG A 790 15.737 18.931 -10.456 1.00 12.42 C ATOM 127 C ARG A 790 17.090 19.044 -11.161 1.00 72.33 C ATOM 128 O ARG A 790 17.791 20.043 -11.011 1.00 23.12 O ATOM 129 CB ARG A 790 15.953 18.987 -8.942 1.00 75.22 C ATOM 130 CG ARG A 790 14.616 19.006 -8.198 1.00 53.22 C ATOM 131 CD ARG A 790 13.640 19.989 -8.849 1.00 61.32 C ATOM 132 NE ARG A 790 12.711 20.528 -7.832 1.00 14.13 N ATOM 133 CZ ARG A 790 11.679 21.353 -8.111 1.00 34.44 C ATOM 134 NH1 ARG A 790 11.435 21.740 -9.381 1.00 1.13 N ATOM 135 NH2 ARG A 790 10.911 21.774 -7.123 1.00 3.32 N ATOM 0 H ARG A 790 15.465 16.853 -10.443 1.00 4.10 H new ATOM 0 HA ARG A 790 15.099 19.764 -10.752 1.00 12.42 H new ATOM 0 HB2 ARG A 790 16.539 18.125 -8.622 1.00 75.22 H new ATOM 0 HB3 ARG A 790 16.529 19.876 -8.686 1.00 75.22 H new ATOM 0 HG2 ARG A 790 14.183 18.006 -8.196 1.00 53.22 H new ATOM 0 HG3 ARG A 790 14.779 19.285 -7.157 1.00 53.22 H new ATOM 0 HD2 ARG A 790 14.191 20.804 -9.319 1.00 61.32 H new ATOM 0 HD3 ARG A 790 13.078 19.488 -9.637 1.00 61.32 H new ATOM 0 HE ARG A 790 12.859 20.260 -6.859 1.00 14.13 H new ATOM 0 HH11 ARG A 790 12.032 21.409 -10.139 1.00 1.13 H new ATOM 0 HH12 ARG A 790 10.653 22.363 -9.583 1.00 1.13 H new ATOM 0 HH21 ARG A 790 11.101 21.476 -6.166 1.00 3.32 H new ATOM 0 HH22 ARG A 790 10.127 22.398 -7.316 1.00 3.32 H new ATOM 148 N TYR A 791 17.416 18.005 -11.916 1.00 73.22 N ATOM 149 CA TYR A 791 18.672 17.974 -12.645 1.00 42.33 C ATOM 150 C TYR A 791 18.564 17.087 -13.887 1.00 41.12 C ATOM 151 O TYR A 791 18.138 15.937 -13.797 1.00 61.35 O ATOM 152 CB TYR A 791 19.700 17.368 -11.688 1.00 45.22 C ATOM 153 CG TYR A 791 19.855 18.135 -10.374 1.00 12.44 C ATOM 154 CD1 TYR A 791 19.005 17.873 -9.318 1.00 1.42 C ATOM 155 CD2 TYR A 791 20.843 19.089 -10.243 1.00 45.32 C ATOM 156 CE1 TYR A 791 19.150 18.595 -8.080 1.00 44.44 C ATOM 157 CE2 TYR A 791 20.989 19.811 -9.006 1.00 13.42 C ATOM 158 CZ TYR A 791 20.135 19.529 -7.985 1.00 60.25 C ATOM 159 OH TYR A 791 20.272 20.211 -6.817 1.00 21.32 O ATOM 0 H TYR A 791 16.831 17.178 -12.038 1.00 73.22 H new ATOM 0 HA TYR A 791 18.948 18.975 -12.976 1.00 42.33 H new ATOM 0 HB2 TYR A 791 19.412 16.341 -11.465 1.00 45.22 H new ATOM 0 HB3 TYR A 791 20.667 17.327 -12.189 1.00 45.22 H new ATOM 0 HD1 TYR A 791 18.231 17.127 -9.420 1.00 1.42 H new ATOM 0 HD2 TYR A 791 21.508 19.294 -11.069 1.00 45.32 H new ATOM 0 HE1 TYR A 791 18.492 18.399 -7.246 1.00 44.44 H new ATOM 0 HE2 TYR A 791 21.759 20.560 -8.891 1.00 13.42 H new ATOM 0 HH TYR A 791 21.016 20.844 -6.893 1.00 21.32 H new ATOM 169 N ASP A 792 18.957 17.656 -15.017 1.00 61.25 N ATOM 170 CA ASP A 792 18.910 16.931 -16.276 1.00 32.11 C ATOM 171 C ASP A 792 19.884 15.752 -16.218 1.00 12.43 C ATOM 172 O ASP A 792 21.099 15.946 -16.220 1.00 35.21 O ATOM 173 CB ASP A 792 19.323 17.828 -17.444 1.00 53.22 C ATOM 174 CG ASP A 792 20.661 18.548 -17.265 1.00 71.13 C ATOM 175 OD1 ASP A 792 21.365 18.840 -18.243 1.00 70.45 O ATOM 176 OD2 ASP A 792 20.978 18.814 -16.043 1.00 71.34 O ATOM 0 H ASP A 792 19.309 18.611 -15.087 1.00 61.25 H new ATOM 0 HA ASP A 792 17.887 16.588 -16.429 1.00 32.11 H new ATOM 0 HB2 ASP A 792 19.372 17.222 -18.348 1.00 53.22 H new ATOM 0 HB3 ASP A 792 18.544 18.574 -17.602 1.00 53.22 H new ATOM 182 N PHE A 793 19.314 14.557 -16.167 1.00 3.31 N ATOM 183 CA PHE A 793 20.117 13.348 -16.108 1.00 61.41 C ATOM 184 C PHE A 793 20.161 12.652 -17.470 1.00 73.31 C ATOM 185 O PHE A 793 19.126 12.460 -18.107 1.00 11.51 O ATOM 186 CB PHE A 793 19.449 12.417 -15.094 1.00 64.52 C ATOM 187 CG PHE A 793 20.411 11.432 -14.426 1.00 3.34 C ATOM 188 CD1 PHE A 793 21.503 11.895 -13.760 1.00 22.34 C ATOM 189 CD2 PHE A 793 20.174 10.095 -14.497 1.00 64.13 C ATOM 190 CE1 PHE A 793 22.396 10.981 -13.139 1.00 51.20 C ATOM 191 CE2 PHE A 793 21.067 9.182 -13.877 1.00 21.53 C ATOM 192 CZ PHE A 793 22.159 9.644 -13.211 1.00 30.13 C ATOM 0 H PHE A 793 18.306 14.400 -16.165 1.00 3.31 H new ATOM 0 HA PHE A 793 21.140 13.594 -15.823 1.00 61.41 H new ATOM 0 HB2 PHE A 793 18.970 13.020 -14.323 1.00 64.52 H new ATOM 0 HB3 PHE A 793 18.661 11.856 -15.596 1.00 64.52 H new ATOM 0 HD1 PHE A 793 21.691 12.957 -13.703 1.00 22.34 H new ATOM 0 HD2 PHE A 793 19.306 9.728 -15.025 1.00 64.13 H new ATOM 0 HE1 PHE A 793 23.263 11.348 -12.610 1.00 51.20 H new ATOM 0 HE2 PHE A 793 20.879 8.120 -13.934 1.00 21.53 H new ATOM 0 HZ PHE A 793 22.838 8.949 -12.739 1.00 30.13 H new ATOM 202 N CYS A 794 21.369 12.292 -17.877 1.00 3.13 N ATOM 203 CA CYS A 794 21.561 11.622 -19.151 1.00 64.44 C ATOM 204 C CYS A 794 21.413 10.115 -18.929 1.00 1.20 C ATOM 205 O CYS A 794 22.065 9.546 -18.054 1.00 55.24 O ATOM 206 CB CYS A 794 22.911 11.976 -19.779 1.00 21.20 C ATOM 207 SG CYS A 794 23.124 13.793 -19.822 1.00 73.22 S ATOM 0 H CYS A 794 22.225 12.452 -17.346 1.00 3.13 H new ATOM 0 HA CYS A 794 20.805 11.960 -19.860 1.00 64.44 H new ATOM 0 HB2 CYS A 794 23.719 11.520 -19.206 1.00 21.20 H new ATOM 0 HB3 CYS A 794 22.969 11.571 -20.789 1.00 21.20 H new ATOM 0 HG CYS A 794 24.274 14.083 -20.355 1.00 73.22 H new ATOM 213 N ALA A 795 20.552 9.512 -19.736 1.00 2.24 N ATOM 214 CA ALA A 795 20.310 8.083 -19.638 1.00 21.22 C ATOM 215 C ALA A 795 21.406 7.331 -20.397 1.00 15.32 C ATOM 216 O ALA A 795 21.389 7.277 -21.626 1.00 33.24 O ATOM 217 CB ALA A 795 18.910 7.765 -20.167 1.00 64.45 C ATOM 0 H ALA A 795 20.014 9.987 -20.460 1.00 2.24 H new ATOM 0 HA ALA A 795 20.347 7.758 -18.598 1.00 21.22 H new ATOM 0 HB1 ALA A 795 18.728 6.693 -20.094 1.00 64.45 H new ATOM 0 HB2 ALA A 795 18.167 8.300 -19.576 1.00 64.45 H new ATOM 0 HB3 ALA A 795 18.836 8.075 -21.209 1.00 64.45 H new ATOM 223 N ARG A 796 22.332 6.771 -19.633 1.00 71.44 N ATOM 224 CA ARG A 796 23.433 6.025 -20.219 1.00 20.34 C ATOM 225 C ARG A 796 22.943 5.203 -21.413 1.00 14.53 C ATOM 226 O ARG A 796 23.667 5.032 -22.392 1.00 72.10 O ATOM 227 CB ARG A 796 24.071 5.087 -19.191 1.00 53.32 C ATOM 228 CG ARG A 796 23.037 4.114 -18.621 1.00 61.23 C ATOM 229 CD ARG A 796 23.483 3.576 -17.260 1.00 72.52 C ATOM 230 NE ARG A 796 24.668 2.704 -17.424 1.00 12.10 N ATOM 231 CZ ARG A 796 25.371 2.183 -16.397 1.00 25.53 C ATOM 232 NH1 ARG A 796 25.014 2.441 -15.121 1.00 24.43 N ATOM 233 NH2 ARG A 796 26.414 1.416 -16.659 1.00 0.42 N ATOM 0 H ARG A 796 22.343 6.819 -18.614 1.00 71.44 H new ATOM 0 HA ARG A 796 24.181 6.745 -20.552 1.00 20.34 H new ATOM 0 HB2 ARG A 796 24.883 4.529 -19.657 1.00 53.32 H new ATOM 0 HB3 ARG A 796 24.510 5.672 -18.383 1.00 53.32 H new ATOM 0 HG2 ARG A 796 22.076 4.617 -18.520 1.00 61.23 H new ATOM 0 HG3 ARG A 796 22.891 3.285 -19.314 1.00 61.23 H new ATOM 0 HD2 ARG A 796 23.720 4.404 -16.592 1.00 72.52 H new ATOM 0 HD3 ARG A 796 22.670 3.016 -16.797 1.00 72.52 H new ATOM 0 HE ARG A 796 24.972 2.483 -18.372 1.00 12.10 H new ATOM 0 HH11 ARG A 796 24.207 3.034 -14.927 1.00 24.43 H new ATOM 0 HH12 ARG A 796 25.551 2.043 -14.351 1.00 24.43 H new ATOM 0 HH21 ARG A 796 26.677 1.226 -17.626 1.00 0.42 H new ATOM 0 HH22 ARG A 796 26.956 1.014 -15.894 1.00 0.42 H new ATOM 246 N ASP A 797 21.716 4.718 -21.292 1.00 71.33 N ATOM 247 CA ASP A 797 21.120 3.919 -22.350 1.00 22.44 C ATOM 248 C ASP A 797 19.596 3.979 -22.231 1.00 70.42 C ATOM 249 O ASP A 797 19.066 4.553 -21.282 1.00 33.05 O ATOM 250 CB ASP A 797 21.546 2.453 -22.239 1.00 13.32 C ATOM 251 CG ASP A 797 22.933 2.138 -22.803 1.00 14.20 C ATOM 252 OD1 ASP A 797 23.276 2.551 -23.921 1.00 3.05 O ATOM 253 OD2 ASP A 797 23.685 1.427 -22.034 1.00 3.13 O ATOM 0 H ASP A 797 21.118 4.863 -20.478 1.00 71.33 H new ATOM 0 HA ASP A 797 21.455 4.321 -23.306 1.00 22.44 H new ATOM 0 HB2 ASP A 797 21.523 2.162 -21.189 1.00 13.32 H new ATOM 0 HB3 ASP A 797 20.811 1.837 -22.757 1.00 13.32 H new ATOM 259 N ARG A 798 18.934 3.377 -23.209 1.00 43.40 N ATOM 260 CA ARG A 798 17.482 3.355 -23.226 1.00 55.23 C ATOM 261 C ARG A 798 16.946 2.680 -21.962 1.00 71.44 C ATOM 262 O ARG A 798 15.826 2.954 -21.535 1.00 12.35 O ATOM 263 CB ARG A 798 16.957 2.611 -24.456 1.00 33.23 C ATOM 264 CG ARG A 798 15.561 3.105 -24.842 1.00 2.33 C ATOM 265 CD ARG A 798 15.643 4.399 -25.654 1.00 43.31 C ATOM 266 NE ARG A 798 14.496 4.486 -26.585 1.00 11.12 N ATOM 267 CZ ARG A 798 13.275 4.949 -26.240 1.00 63.44 C ATOM 268 NH1 ARG A 798 13.033 5.371 -24.981 1.00 72.32 N ATOM 269 NH2 ARG A 798 12.322 4.982 -27.153 1.00 64.12 N ATOM 0 H ARG A 798 19.377 2.901 -23.995 1.00 43.40 H new ATOM 0 HA ARG A 798 17.135 4.388 -23.265 1.00 55.23 H new ATOM 0 HB2 ARG A 798 17.641 2.755 -25.292 1.00 33.23 H new ATOM 0 HB3 ARG A 798 16.924 1.541 -24.251 1.00 33.23 H new ATOM 0 HG2 ARG A 798 15.048 2.339 -25.423 1.00 2.33 H new ATOM 0 HG3 ARG A 798 14.969 3.273 -23.942 1.00 2.33 H new ATOM 0 HD2 ARG A 798 15.644 5.259 -24.984 1.00 43.31 H new ATOM 0 HD3 ARG A 798 16.578 4.429 -26.213 1.00 43.31 H new ATOM 0 HE ARG A 798 14.636 4.177 -27.547 1.00 11.12 H new ATOM 0 HH11 ARG A 798 13.775 5.342 -24.282 1.00 72.32 H new ATOM 0 HH12 ARG A 798 12.108 5.719 -24.729 1.00 72.32 H new ATOM 0 HH21 ARG A 798 12.514 4.661 -28.102 1.00 64.12 H new ATOM 0 HH22 ARG A 798 11.394 5.329 -26.909 1.00 64.12 H new ATOM 282 N SER A 799 17.771 1.809 -21.400 1.00 61.23 N ATOM 283 CA SER A 799 17.394 1.092 -20.194 1.00 24.21 C ATOM 284 C SER A 799 17.329 2.058 -19.010 1.00 12.44 C ATOM 285 O SER A 799 16.669 1.777 -18.010 1.00 40.53 O ATOM 286 CB SER A 799 18.377 -0.044 -19.899 1.00 15.54 C ATOM 287 OG SER A 799 19.690 0.251 -20.366 1.00 51.55 O ATOM 0 H SER A 799 18.699 1.584 -21.758 1.00 61.23 H new ATOM 0 HA SER A 799 16.409 0.653 -20.351 1.00 24.21 H new ATOM 0 HB2 SER A 799 18.407 -0.227 -18.825 1.00 15.54 H new ATOM 0 HB3 SER A 799 18.023 -0.961 -20.369 1.00 15.54 H new ATOM 0 HG SER A 799 20.287 -0.497 -20.157 1.00 51.55 H new ATOM 293 N GLU A 800 18.022 3.177 -19.161 1.00 41.21 N ATOM 294 CA GLU A 800 18.051 4.187 -18.117 1.00 31.03 C ATOM 295 C GLU A 800 17.030 5.287 -18.414 1.00 11.14 C ATOM 296 O GLU A 800 16.787 5.616 -19.574 1.00 14.35 O ATOM 297 CB GLU A 800 19.456 4.771 -17.958 1.00 11.33 C ATOM 298 CG GLU A 800 19.656 5.343 -16.553 1.00 23.24 C ATOM 299 CD GLU A 800 20.265 4.296 -15.617 1.00 14.33 C ATOM 300 OE1 GLU A 800 20.118 3.089 -15.858 1.00 63.22 O ATOM 301 OE2 GLU A 800 20.910 4.776 -14.608 1.00 40.21 O ATOM 0 H GLU A 800 18.568 3.407 -19.991 1.00 41.21 H new ATOM 0 HA GLU A 800 17.781 3.714 -17.173 1.00 31.03 H new ATOM 0 HB2 GLU A 800 20.199 3.997 -18.149 1.00 11.33 H new ATOM 0 HB3 GLU A 800 19.614 5.554 -18.699 1.00 11.33 H new ATOM 0 HG2 GLU A 800 20.307 6.216 -16.601 1.00 23.24 H new ATOM 0 HG3 GLU A 800 18.699 5.680 -16.154 1.00 23.24 H new ATOM 309 N LEU A 801 16.460 5.825 -17.345 1.00 41.35 N ATOM 310 CA LEU A 801 15.471 6.882 -17.477 1.00 71.41 C ATOM 311 C LEU A 801 16.184 8.229 -17.604 1.00 1.32 C ATOM 312 O LEU A 801 17.098 8.526 -16.836 1.00 43.43 O ATOM 313 CB LEU A 801 14.468 6.823 -16.324 1.00 35.24 C ATOM 314 CG LEU A 801 13.062 7.342 -16.630 1.00 55.35 C ATOM 315 CD1 LEU A 801 12.218 6.267 -17.317 1.00 55.05 C ATOM 316 CD2 LEU A 801 12.387 7.879 -15.366 1.00 44.33 C ATOM 0 H LEU A 801 16.664 5.549 -16.385 1.00 41.35 H new ATOM 0 HA LEU A 801 14.885 6.745 -18.386 1.00 71.41 H new ATOM 0 HB2 LEU A 801 14.387 5.788 -15.992 1.00 35.24 H new ATOM 0 HB3 LEU A 801 14.871 7.395 -15.489 1.00 35.24 H new ATOM 0 HG LEU A 801 13.151 8.176 -17.326 1.00 55.35 H new ATOM 0 HD11 LEU A 801 11.223 6.662 -17.523 1.00 55.05 H new ATOM 0 HD12 LEU A 801 12.694 5.974 -18.253 1.00 55.05 H new ATOM 0 HD13 LEU A 801 12.135 5.398 -16.665 1.00 55.05 H new ATOM 0 HD21 LEU A 801 11.389 8.241 -15.612 1.00 44.33 H new ATOM 0 HD22 LEU A 801 12.311 7.081 -14.627 1.00 44.33 H new ATOM 0 HD23 LEU A 801 12.979 8.697 -14.957 1.00 44.33 H new ATOM 328 N SER A 802 15.739 9.009 -18.578 1.00 70.12 N ATOM 329 CA SER A 802 16.323 10.318 -18.815 1.00 42.02 C ATOM 330 C SER A 802 15.508 11.393 -18.094 1.00 1.23 C ATOM 331 O SER A 802 14.309 11.531 -18.330 1.00 50.42 O ATOM 332 CB SER A 802 16.399 10.625 -20.312 1.00 73.52 C ATOM 333 OG SER A 802 17.221 11.756 -20.585 1.00 22.13 O ATOM 0 H SER A 802 14.980 8.759 -19.213 1.00 70.12 H new ATOM 0 HA SER A 802 17.339 10.315 -18.420 1.00 42.02 H new ATOM 0 HB2 SER A 802 16.791 9.756 -20.841 1.00 73.52 H new ATOM 0 HB3 SER A 802 15.395 10.806 -20.696 1.00 73.52 H new ATOM 0 HG SER A 802 17.776 11.953 -19.802 1.00 22.13 H new ATOM 339 N LEU A 803 16.192 12.127 -17.228 1.00 53.20 N ATOM 340 CA LEU A 803 15.546 13.186 -16.470 1.00 62.24 C ATOM 341 C LEU A 803 15.768 14.523 -17.180 1.00 4.12 C ATOM 342 O LEU A 803 16.678 14.653 -17.997 1.00 63.53 O ATOM 343 CB LEU A 803 16.025 13.173 -15.017 1.00 41.44 C ATOM 344 CG LEU A 803 15.309 12.195 -14.084 1.00 2.45 C ATOM 345 CD1 LEU A 803 14.705 11.030 -14.869 1.00 62.20 C ATOM 346 CD2 LEU A 803 16.244 11.714 -12.972 1.00 43.22 C ATOM 0 H LEU A 803 17.187 12.009 -17.034 1.00 53.20 H new ATOM 0 HA LEU A 803 14.469 13.023 -16.427 1.00 62.24 H new ATOM 0 HB2 LEU A 803 17.090 12.939 -15.008 1.00 41.44 H new ATOM 0 HB3 LEU A 803 15.916 14.178 -14.610 1.00 41.44 H new ATOM 0 HG LEU A 803 14.484 12.722 -13.605 1.00 2.45 H new ATOM 0 HD11 LEU A 803 14.202 10.350 -14.181 1.00 62.20 H new ATOM 0 HD12 LEU A 803 13.985 11.413 -15.592 1.00 62.20 H new ATOM 0 HD13 LEU A 803 15.497 10.495 -15.394 1.00 62.20 H new ATOM 0 HD21 LEU A 803 15.710 11.020 -12.323 1.00 43.22 H new ATOM 0 HD22 LEU A 803 17.104 11.210 -13.413 1.00 43.22 H new ATOM 0 HD23 LEU A 803 16.584 12.569 -12.388 1.00 43.22 H new ATOM 358 N LYS A 804 14.922 15.484 -16.841 1.00 55.11 N ATOM 359 CA LYS A 804 15.014 16.807 -17.435 1.00 70.24 C ATOM 360 C LYS A 804 14.346 17.825 -16.509 1.00 55.04 C ATOM 361 O LYS A 804 13.125 17.820 -16.354 1.00 4.45 O ATOM 362 CB LYS A 804 14.442 16.798 -18.854 1.00 61.24 C ATOM 363 CG LYS A 804 15.179 17.797 -19.749 1.00 13.12 C ATOM 364 CD LYS A 804 14.495 19.165 -19.721 1.00 53.42 C ATOM 365 CE LYS A 804 15.402 20.244 -20.317 1.00 73.23 C ATOM 366 NZ LYS A 804 15.541 20.054 -21.778 1.00 65.04 N ATOM 0 H LYS A 804 14.169 15.373 -16.162 1.00 55.11 H new ATOM 0 HA LYS A 804 16.057 17.106 -17.538 1.00 70.24 H new ATOM 0 HB2 LYS A 804 14.524 15.797 -19.277 1.00 61.24 H new ATOM 0 HB3 LYS A 804 13.381 17.045 -18.824 1.00 61.24 H new ATOM 0 HG2 LYS A 804 16.212 17.896 -19.416 1.00 13.12 H new ATOM 0 HG3 LYS A 804 15.208 17.422 -20.772 1.00 13.12 H new ATOM 0 HD2 LYS A 804 13.561 19.120 -20.281 1.00 53.42 H new ATOM 0 HD3 LYS A 804 14.239 19.427 -18.694 1.00 53.42 H new ATOM 0 HE2 LYS A 804 14.988 21.231 -20.110 1.00 73.23 H new ATOM 0 HE3 LYS A 804 16.383 20.205 -19.844 1.00 73.23 H new ATOM 0 HZ1 LYS A 804 16.159 20.794 -22.167 1.00 65.04 H new ATOM 0 HZ2 LYS A 804 15.957 19.120 -21.969 1.00 65.04 H new ATOM 0 HZ3 LYS A 804 14.605 20.114 -22.227 1.00 65.04 H new ATOM 379 N GLU A 805 15.174 18.674 -15.919 1.00 63.32 N ATOM 380 CA GLU A 805 14.679 19.696 -15.013 1.00 32.42 C ATOM 381 C GLU A 805 13.363 20.276 -15.535 1.00 61.15 C ATOM 382 O GLU A 805 13.231 20.549 -16.728 1.00 21.34 O ATOM 383 CB GLU A 805 15.720 20.797 -14.806 1.00 42.25 C ATOM 384 CG GLU A 805 16.750 20.388 -13.751 1.00 72.44 C ATOM 385 CD GLU A 805 18.117 21.005 -14.051 1.00 2.52 C ATOM 386 OE1 GLU A 805 18.682 21.705 -13.197 1.00 21.44 O ATOM 387 OE2 GLU A 805 18.593 20.736 -15.219 1.00 41.22 O ATOM 0 H GLU A 805 16.185 18.675 -16.051 1.00 63.32 H new ATOM 0 HA GLU A 805 14.491 19.234 -14.044 1.00 32.42 H new ATOM 0 HB2 GLU A 805 16.224 21.007 -15.749 1.00 42.25 H new ATOM 0 HB3 GLU A 805 15.224 21.717 -14.498 1.00 42.25 H new ATOM 0 HG2 GLU A 805 16.412 20.706 -12.765 1.00 72.44 H new ATOM 0 HG3 GLU A 805 16.836 19.302 -13.723 1.00 72.44 H new ATOM 395 N GLY A 806 12.423 20.447 -14.618 1.00 0.52 N ATOM 396 CA GLY A 806 11.122 20.990 -14.971 1.00 44.52 C ATOM 397 C GLY A 806 10.175 19.884 -15.440 1.00 43.01 C ATOM 398 O GLY A 806 9.063 20.162 -15.887 1.00 23.33 O ATOM 0 H GLY A 806 12.536 20.219 -13.630 1.00 0.52 H new ATOM 0 HA2 GLY A 806 10.692 21.501 -14.110 1.00 44.52 H new ATOM 0 HA3 GLY A 806 11.236 21.734 -15.759 1.00 44.52 H new ATOM 402 N ASP A 807 10.651 18.653 -15.322 1.00 73.04 N ATOM 403 CA ASP A 807 9.860 17.503 -15.729 1.00 2.44 C ATOM 404 C ASP A 807 9.419 16.729 -14.485 1.00 75.44 C ATOM 405 O ASP A 807 10.045 16.830 -13.432 1.00 33.24 O ATOM 406 CB ASP A 807 10.677 16.557 -16.610 1.00 63.11 C ATOM 407 CG ASP A 807 11.079 17.127 -17.972 1.00 20.30 C ATOM 408 OD1 ASP A 807 11.146 18.351 -18.157 1.00 64.13 O ATOM 409 OD2 ASP A 807 11.333 16.245 -18.879 1.00 35.23 O ATOM 0 H ASP A 807 11.574 18.427 -14.951 1.00 73.04 H new ATOM 0 HA ASP A 807 9.000 17.866 -16.292 1.00 2.44 H new ATOM 0 HB2 ASP A 807 11.581 16.272 -16.071 1.00 63.11 H new ATOM 0 HB3 ASP A 807 10.101 15.646 -16.770 1.00 63.11 H new ATOM 415 N ILE A 808 8.343 15.972 -14.650 1.00 2.23 N ATOM 416 CA ILE A 808 7.810 15.181 -13.554 1.00 25.41 C ATOM 417 C ILE A 808 8.064 13.698 -13.831 1.00 61.55 C ATOM 418 O ILE A 808 7.908 13.238 -14.962 1.00 5.41 O ATOM 419 CB ILE A 808 6.337 15.519 -13.315 1.00 64.55 C ATOM 420 CG1 ILE A 808 5.657 15.953 -14.615 1.00 43.52 C ATOM 421 CG2 ILE A 808 6.187 16.567 -12.211 1.00 62.13 C ATOM 422 CD1 ILE A 808 6.065 17.378 -14.998 1.00 23.35 C ATOM 0 H ILE A 808 7.827 15.890 -15.526 1.00 2.23 H new ATOM 0 HA ILE A 808 8.323 15.425 -12.624 1.00 25.41 H new ATOM 0 HB ILE A 808 5.830 14.617 -12.972 1.00 64.55 H new ATOM 0 HG12 ILE A 808 5.926 15.266 -15.417 1.00 43.52 H new ATOM 0 HG13 ILE A 808 4.575 15.900 -14.499 1.00 43.52 H new ATOM 0 HG21 ILE A 808 5.130 16.789 -12.061 1.00 62.13 H new ATOM 0 HG22 ILE A 808 6.612 16.182 -11.284 1.00 62.13 H new ATOM 0 HG23 ILE A 808 6.712 17.478 -12.500 1.00 62.13 H new ATOM 0 HD11 ILE A 808 5.568 17.662 -15.926 1.00 23.35 H new ATOM 0 HD12 ILE A 808 5.773 18.066 -14.204 1.00 23.35 H new ATOM 0 HD13 ILE A 808 7.145 17.422 -15.137 1.00 23.35 H new ATOM 434 N ILE A 809 8.450 12.989 -12.781 1.00 5.35 N ATOM 435 CA ILE A 809 8.727 11.568 -12.897 1.00 22.42 C ATOM 436 C ILE A 809 7.728 10.786 -12.041 1.00 41.31 C ATOM 437 O ILE A 809 7.698 10.938 -10.821 1.00 4.31 O ATOM 438 CB ILE A 809 10.190 11.277 -12.555 1.00 32.45 C ATOM 439 CG1 ILE A 809 11.108 11.635 -13.725 1.00 24.45 C ATOM 440 CG2 ILE A 809 10.370 9.824 -12.108 1.00 12.42 C ATOM 441 CD1 ILE A 809 11.409 13.135 -13.747 1.00 32.33 C ATOM 0 H ILE A 809 8.578 13.373 -11.845 1.00 5.35 H new ATOM 0 HA ILE A 809 8.593 11.237 -13.927 1.00 22.42 H new ATOM 0 HB ILE A 809 10.477 11.910 -11.715 1.00 32.45 H new ATOM 0 HG12 ILE A 809 12.040 11.075 -13.646 1.00 24.45 H new ATOM 0 HG13 ILE A 809 10.638 11.341 -14.664 1.00 24.45 H new ATOM 0 HG21 ILE A 809 11.418 9.643 -11.871 1.00 12.42 H new ATOM 0 HG22 ILE A 809 9.761 9.637 -11.224 1.00 12.42 H new ATOM 0 HG23 ILE A 809 10.059 9.155 -12.911 1.00 12.42 H new ATOM 0 HD11 ILE A 809 12.064 13.362 -14.588 1.00 32.33 H new ATOM 0 HD12 ILE A 809 10.478 13.692 -13.851 1.00 32.33 H new ATOM 0 HD13 ILE A 809 11.901 13.421 -12.817 1.00 32.33 H new ATOM 453 N LYS A 810 6.934 9.967 -12.715 1.00 23.02 N ATOM 454 CA LYS A 810 5.936 9.162 -12.031 1.00 65.45 C ATOM 455 C LYS A 810 6.625 7.983 -11.341 1.00 32.43 C ATOM 456 O LYS A 810 7.175 7.105 -12.004 1.00 73.21 O ATOM 457 CB LYS A 810 4.829 8.745 -13.001 1.00 34.20 C ATOM 458 CG LYS A 810 3.994 7.601 -12.421 1.00 11.21 C ATOM 459 CD LYS A 810 3.587 7.897 -10.976 1.00 2.40 C ATOM 460 CE LYS A 810 2.208 7.313 -10.664 1.00 1.11 C ATOM 461 NZ LYS A 810 1.142 8.261 -11.060 1.00 22.44 N ATOM 0 H LYS A 810 6.961 9.844 -13.727 1.00 23.02 H new ATOM 0 HA LYS A 810 5.444 9.745 -11.252 1.00 65.45 H new ATOM 0 HB2 LYS A 810 4.185 9.599 -13.213 1.00 34.20 H new ATOM 0 HB3 LYS A 810 5.269 8.435 -13.949 1.00 34.20 H new ATOM 0 HG2 LYS A 810 3.103 7.451 -13.030 1.00 11.21 H new ATOM 0 HG3 LYS A 810 4.565 6.673 -12.459 1.00 11.21 H new ATOM 0 HD2 LYS A 810 4.326 7.478 -10.293 1.00 2.40 H new ATOM 0 HD3 LYS A 810 3.575 8.974 -10.811 1.00 2.40 H new ATOM 0 HE2 LYS A 810 2.078 6.369 -11.193 1.00 1.11 H new ATOM 0 HE3 LYS A 810 2.131 7.095 -9.599 1.00 1.11 H new ATOM 0 HZ1 LYS A 810 0.212 7.849 -10.841 1.00 22.44 H new ATOM 0 HZ2 LYS A 810 1.258 9.152 -10.536 1.00 22.44 H new ATOM 0 HZ3 LYS A 810 1.206 8.449 -12.081 1.00 22.44 H new ATOM 474 N ILE A 811 6.572 8.001 -10.017 1.00 71.40 N ATOM 475 CA ILE A 811 7.183 6.944 -9.229 1.00 65.01 C ATOM 476 C ILE A 811 6.379 5.654 -9.402 1.00 41.01 C ATOM 477 O ILE A 811 5.174 5.632 -9.157 1.00 10.11 O ATOM 478 CB ILE A 811 7.336 7.383 -7.771 1.00 62.43 C ATOM 479 CG1 ILE A 811 7.995 8.761 -7.679 1.00 70.55 C ATOM 480 CG2 ILE A 811 8.093 6.330 -6.958 1.00 51.15 C ATOM 481 CD1 ILE A 811 9.520 8.638 -7.646 1.00 13.10 C ATOM 0 H ILE A 811 6.115 8.731 -9.470 1.00 71.40 H new ATOM 0 HA ILE A 811 8.193 6.740 -9.584 1.00 65.01 H new ATOM 0 HB ILE A 811 6.341 7.473 -7.335 1.00 62.43 H new ATOM 0 HG12 ILE A 811 7.694 9.370 -8.532 1.00 70.55 H new ATOM 0 HG13 ILE A 811 7.648 9.275 -6.782 1.00 70.55 H new ATOM 0 HG21 ILE A 811 8.188 6.667 -5.926 1.00 51.15 H new ATOM 0 HG22 ILE A 811 7.546 5.388 -6.984 1.00 51.15 H new ATOM 0 HG23 ILE A 811 9.085 6.185 -7.385 1.00 51.15 H new ATOM 0 HD11 ILE A 811 9.964 9.631 -7.581 1.00 13.10 H new ATOM 0 HD12 ILE A 811 9.819 8.049 -6.779 1.00 13.10 H new ATOM 0 HD13 ILE A 811 9.865 8.146 -8.555 1.00 13.10 H new ATOM 493 N LEU A 812 7.078 4.610 -9.823 1.00 43.43 N ATOM 494 CA LEU A 812 6.444 3.320 -10.032 1.00 63.30 C ATOM 495 C LEU A 812 7.039 2.301 -9.058 1.00 63.31 C ATOM 496 O LEU A 812 6.311 1.514 -8.455 1.00 53.04 O ATOM 497 CB LEU A 812 6.550 2.902 -11.500 1.00 62.11 C ATOM 498 CG LEU A 812 6.324 4.010 -12.531 1.00 34.22 C ATOM 499 CD1 LEU A 812 7.150 3.760 -13.794 1.00 54.52 C ATOM 500 CD2 LEU A 812 4.835 4.173 -12.842 1.00 75.43 C ATOM 0 H LEU A 812 8.078 4.632 -10.025 1.00 43.43 H new ATOM 0 HA LEU A 812 5.377 3.381 -9.818 1.00 63.30 H new ATOM 0 HB2 LEU A 812 7.539 2.476 -11.665 1.00 62.11 H new ATOM 0 HB3 LEU A 812 5.826 2.108 -11.684 1.00 62.11 H new ATOM 0 HG LEU A 812 6.668 4.951 -12.103 1.00 34.22 H new ATOM 0 HD11 LEU A 812 6.971 4.562 -14.510 1.00 54.52 H new ATOM 0 HD12 LEU A 812 8.209 3.733 -13.537 1.00 54.52 H new ATOM 0 HD13 LEU A 812 6.859 2.807 -14.236 1.00 54.52 H new ATOM 0 HD21 LEU A 812 4.702 4.967 -13.577 1.00 75.43 H new ATOM 0 HD22 LEU A 812 4.442 3.238 -13.242 1.00 75.43 H new ATOM 0 HD23 LEU A 812 4.299 4.431 -11.929 1.00 75.43 H new ATOM 512 N ASN A 813 8.358 2.348 -8.934 1.00 55.03 N ATOM 513 CA ASN A 813 9.059 1.439 -8.044 1.00 33.31 C ATOM 514 C ASN A 813 10.058 2.230 -7.197 1.00 55.01 C ATOM 515 O ASN A 813 10.469 3.325 -7.578 1.00 11.04 O ATOM 516 CB ASN A 813 9.838 0.386 -8.834 1.00 45.12 C ATOM 517 CG ASN A 813 9.862 -0.951 -8.092 1.00 35.44 C ATOM 518 OD1 ASN A 813 9.223 -1.134 -7.068 1.00 53.13 O ATOM 519 ND2 ASN A 813 10.631 -1.874 -8.662 1.00 43.31 N ATOM 0 H ASN A 813 8.959 3.002 -9.436 1.00 55.03 H new ATOM 0 HA ASN A 813 8.318 0.944 -7.416 1.00 33.31 H new ATOM 0 HB2 ASN A 813 9.383 0.253 -9.816 1.00 45.12 H new ATOM 0 HB3 ASN A 813 10.858 0.732 -9.000 1.00 45.12 H new ATOM 0 HD21 ASN A 813 10.712 -2.800 -8.242 1.00 43.31 H new ATOM 0 HD22 ASN A 813 11.139 -1.656 -9.519 1.00 43.31 H new ATOM 526 N LYS A 814 10.419 1.645 -6.065 1.00 32.23 N ATOM 527 CA LYS A 814 11.362 2.282 -5.161 1.00 34.42 C ATOM 528 C LYS A 814 12.349 1.235 -4.640 1.00 74.12 C ATOM 529 O LYS A 814 12.208 0.747 -3.520 1.00 4.55 O ATOM 530 CB LYS A 814 10.619 3.031 -4.053 1.00 50.30 C ATOM 531 CG LYS A 814 10.336 4.478 -4.464 1.00 63.32 C ATOM 532 CD LYS A 814 10.482 5.425 -3.272 1.00 4.23 C ATOM 533 CE LYS A 814 9.557 6.635 -3.416 1.00 42.13 C ATOM 534 NZ LYS A 814 9.466 7.374 -2.137 1.00 61.30 N ATOM 0 H LYS A 814 10.076 0.737 -5.753 1.00 32.23 H new ATOM 0 HA LYS A 814 11.946 3.036 -5.689 1.00 34.42 H new ATOM 0 HB2 LYS A 814 9.681 2.522 -3.831 1.00 50.30 H new ATOM 0 HB3 LYS A 814 11.213 3.018 -3.139 1.00 50.30 H new ATOM 0 HG2 LYS A 814 11.023 4.776 -5.256 1.00 63.32 H new ATOM 0 HG3 LYS A 814 9.328 4.553 -4.872 1.00 63.32 H new ATOM 0 HD2 LYS A 814 10.249 4.893 -2.350 1.00 4.23 H new ATOM 0 HD3 LYS A 814 11.516 5.761 -3.194 1.00 4.23 H new ATOM 0 HE2 LYS A 814 9.932 7.295 -4.198 1.00 42.13 H new ATOM 0 HE3 LYS A 814 8.564 6.307 -3.724 1.00 42.13 H new ATOM 0 HZ1 LYS A 814 8.834 8.192 -2.253 1.00 61.30 H new ATOM 0 HZ2 LYS A 814 9.088 6.746 -1.399 1.00 61.30 H new ATOM 0 HZ3 LYS A 814 10.412 7.704 -1.859 1.00 61.30 H new ATOM 547 N LYS A 815 13.325 0.920 -5.479 1.00 0.15 N ATOM 548 CA LYS A 815 14.335 -0.060 -5.117 1.00 1.10 C ATOM 549 C LYS A 815 15.038 0.388 -3.834 1.00 1.30 C ATOM 550 O LYS A 815 14.634 1.368 -3.210 1.00 52.43 O ATOM 551 CB LYS A 815 15.289 -0.303 -6.288 1.00 62.11 C ATOM 552 CG LYS A 815 14.777 -1.429 -7.188 1.00 33.51 C ATOM 553 CD LYS A 815 15.052 -2.799 -6.563 1.00 15.32 C ATOM 554 CE LYS A 815 16.553 -3.023 -6.372 1.00 51.12 C ATOM 555 NZ LYS A 815 16.856 -4.470 -6.298 1.00 54.31 N ATOM 0 H LYS A 815 13.438 1.326 -6.408 1.00 0.15 H new ATOM 0 HA LYS A 815 13.872 -1.024 -4.907 1.00 1.10 H new ATOM 0 HB2 LYS A 815 15.396 0.612 -6.870 1.00 62.11 H new ATOM 0 HB3 LYS A 815 16.279 -0.557 -5.909 1.00 62.11 H new ATOM 0 HG2 LYS A 815 13.706 -1.309 -7.353 1.00 33.51 H new ATOM 0 HG3 LYS A 815 15.259 -1.367 -8.164 1.00 33.51 H new ATOM 0 HD2 LYS A 815 14.544 -2.872 -5.601 1.00 15.32 H new ATOM 0 HD3 LYS A 815 14.642 -3.582 -7.200 1.00 15.32 H new ATOM 0 HE2 LYS A 815 17.102 -2.572 -7.199 1.00 51.12 H new ATOM 0 HE3 LYS A 815 16.887 -2.528 -5.460 1.00 51.12 H new ATOM 0 HZ1 LYS A 815 17.879 -4.604 -6.168 1.00 54.31 H new ATOM 0 HZ2 LYS A 815 16.347 -4.891 -5.495 1.00 54.31 H new ATOM 0 HZ3 LYS A 815 16.555 -4.933 -7.179 1.00 54.31 H new ATOM 568 N GLY A 816 16.078 -0.351 -3.478 1.00 23.00 N ATOM 569 CA GLY A 816 16.841 -0.042 -2.281 1.00 23.14 C ATOM 570 C GLY A 816 16.980 1.470 -2.094 1.00 3.20 C ATOM 571 O GLY A 816 17.180 2.203 -3.062 1.00 21.14 O ATOM 0 H GLY A 816 16.410 -1.163 -3.998 1.00 23.00 H new ATOM 0 HA2 GLY A 816 16.350 -0.476 -1.410 1.00 23.14 H new ATOM 0 HA3 GLY A 816 17.830 -0.496 -2.348 1.00 23.14 H new ATOM 575 N GLN A 817 16.869 1.893 -0.843 1.00 60.41 N ATOM 576 CA GLN A 817 16.980 3.304 -0.517 1.00 52.33 C ATOM 577 C GLN A 817 18.342 3.845 -0.957 1.00 53.32 C ATOM 578 O GLN A 817 19.245 3.075 -1.278 1.00 4.00 O ATOM 579 CB GLN A 817 16.752 3.542 0.977 1.00 63.41 C ATOM 580 CG GLN A 817 15.299 3.257 1.362 1.00 22.03 C ATOM 581 CD GLN A 817 14.993 3.776 2.769 1.00 63.12 C ATOM 582 OE1 GLN A 817 15.535 3.315 3.760 1.00 45.20 O ATOM 583 NE2 GLN A 817 14.097 4.758 2.800 1.00 31.11 N ATOM 0 H GLN A 817 16.703 1.282 -0.043 1.00 60.41 H new ATOM 0 HA GLN A 817 16.204 3.844 -1.059 1.00 52.33 H new ATOM 0 HB2 GLN A 817 17.418 2.902 1.557 1.00 63.41 H new ATOM 0 HB3 GLN A 817 17.003 4.573 1.227 1.00 63.41 H new ATOM 0 HG2 GLN A 817 14.629 3.729 0.643 1.00 22.03 H new ATOM 0 HG3 GLN A 817 15.111 2.184 1.317 1.00 22.03 H new ATOM 0 HE21 GLN A 817 13.682 5.097 1.932 1.00 31.11 H new ATOM 0 HE22 GLN A 817 13.825 5.172 3.692 1.00 31.11 H new ATOM 592 N GLN A 818 18.446 5.166 -0.958 1.00 53.12 N ATOM 593 CA GLN A 818 19.682 5.819 -1.354 1.00 1.15 C ATOM 594 C GLN A 818 20.226 5.192 -2.639 1.00 0.41 C ATOM 595 O GLN A 818 21.428 5.238 -2.895 1.00 62.34 O ATOM 596 CB GLN A 818 20.719 5.755 -0.231 1.00 24.13 C ATOM 597 CG GLN A 818 21.063 4.305 0.116 1.00 63.23 C ATOM 598 CD GLN A 818 22.254 4.238 1.074 1.00 64.32 C ATOM 599 OE1 GLN A 818 22.384 5.021 2.000 1.00 42.42 O ATOM 600 NE2 GLN A 818 23.114 3.260 0.801 1.00 40.34 N ATOM 0 H GLN A 818 17.694 5.802 -0.691 1.00 53.12 H new ATOM 0 HA GLN A 818 19.469 6.870 -1.548 1.00 1.15 H new ATOM 0 HB2 GLN A 818 21.622 6.284 -0.535 1.00 24.13 H new ATOM 0 HB3 GLN A 818 20.334 6.263 0.653 1.00 24.13 H new ATOM 0 HG2 GLN A 818 20.198 3.821 0.571 1.00 63.23 H new ATOM 0 HG3 GLN A 818 21.294 3.754 -0.796 1.00 63.23 H new ATOM 0 HE21 GLN A 818 22.945 2.639 0.010 1.00 40.34 H new ATOM 0 HE22 GLN A 818 23.942 3.132 1.383 1.00 40.34 H new ATOM 609 N GLY A 819 19.315 4.622 -3.413 1.00 35.00 N ATOM 610 CA GLY A 819 19.688 3.987 -4.665 1.00 72.15 C ATOM 611 C GLY A 819 19.101 4.743 -5.860 1.00 23.44 C ATOM 612 O GLY A 819 19.579 5.819 -6.213 1.00 5.30 O ATOM 0 H GLY A 819 18.319 4.587 -3.197 1.00 35.00 H new ATOM 0 HA2 GLY A 819 20.774 3.953 -4.750 1.00 72.15 H new ATOM 0 HA3 GLY A 819 19.335 2.956 -4.673 1.00 72.15 H new ATOM 616 N TRP A 820 18.074 4.148 -6.448 1.00 53.52 N ATOM 617 CA TRP A 820 17.417 4.752 -7.595 1.00 52.13 C ATOM 618 C TRP A 820 15.916 4.482 -7.477 1.00 15.14 C ATOM 619 O TRP A 820 15.484 3.729 -6.605 1.00 74.14 O ATOM 620 CB TRP A 820 18.016 4.235 -8.905 1.00 34.13 C ATOM 621 CG TRP A 820 17.869 2.725 -9.102 1.00 62.24 C ATOM 622 CD1 TRP A 820 17.247 1.845 -8.306 1.00 30.01 C ATOM 623 CD2 TRP A 820 18.383 1.948 -10.205 1.00 1.21 C ATOM 624 NE1 TRP A 820 17.322 0.563 -8.812 1.00 50.31 N ATOM 625 CE2 TRP A 820 18.035 0.628 -10.004 1.00 13.23 C ATOM 626 CE3 TRP A 820 19.118 2.348 -11.335 1.00 71.10 C ATOM 627 CZ2 TRP A 820 18.378 -0.399 -10.891 1.00 22.13 C ATOM 628 CZ3 TRP A 820 19.453 1.309 -12.212 1.00 4.31 C ATOM 629 CH2 TRP A 820 19.110 -0.024 -12.024 1.00 24.44 C ATOM 0 H TRP A 820 17.681 3.255 -6.152 1.00 53.52 H new ATOM 0 HA TRP A 820 17.577 5.830 -7.607 1.00 52.13 H new ATOM 0 HB2 TRP A 820 17.538 4.748 -9.739 1.00 34.13 H new ATOM 0 HB3 TRP A 820 19.074 4.494 -8.936 1.00 34.13 H new ATOM 0 HD1 TRP A 820 16.749 2.106 -7.384 1.00 30.01 H new ATOM 0 HE1 TRP A 820 16.927 -0.277 -8.389 1.00 50.31 H new ATOM 0 HE3 TRP A 820 19.402 3.375 -11.512 1.00 71.10 H new ATOM 0 HZ2 TRP A 820 18.093 -1.425 -10.711 1.00 22.13 H new ATOM 0 HZ3 TRP A 820 20.018 1.562 -13.097 1.00 4.31 H new ATOM 0 HH2 TRP A 820 19.407 -0.768 -12.749 1.00 24.44 H new ATOM 640 N TRP A 821 15.161 5.112 -8.365 1.00 64.14 N ATOM 641 CA TRP A 821 13.718 4.949 -8.371 1.00 55.13 C ATOM 642 C TRP A 821 13.281 4.650 -9.807 1.00 43.41 C ATOM 643 O TRP A 821 13.700 5.332 -10.741 1.00 52.34 O ATOM 644 CB TRP A 821 13.025 6.178 -7.779 1.00 52.15 C ATOM 645 CG TRP A 821 13.232 6.344 -6.273 1.00 1.03 C ATOM 646 CD1 TRP A 821 13.504 5.394 -5.368 1.00 22.12 C ATOM 647 CD2 TRP A 821 13.173 7.578 -5.527 1.00 52.54 C ATOM 648 NE1 TRP A 821 13.624 5.923 -4.099 1.00 10.31 N ATOM 649 CE2 TRP A 821 13.416 7.294 -4.199 1.00 42.02 C ATOM 650 CE3 TRP A 821 12.922 8.892 -5.961 1.00 40.13 C ATOM 651 CZ2 TRP A 821 13.432 8.271 -3.196 1.00 64.15 C ATOM 652 CZ3 TRP A 821 12.942 9.857 -4.947 1.00 33.11 C ATOM 653 CH2 TRP A 821 13.185 9.587 -3.605 1.00 70.24 C ATOM 0 H TRP A 821 15.522 5.737 -9.086 1.00 64.14 H new ATOM 0 HA TRP A 821 13.422 4.114 -7.736 1.00 55.13 H new ATOM 0 HB2 TRP A 821 13.393 7.070 -8.286 1.00 52.15 H new ATOM 0 HB3 TRP A 821 11.956 6.113 -7.983 1.00 52.15 H new ATOM 0 HD1 TRP A 821 13.615 4.346 -5.602 1.00 22.12 H new ATOM 0 HE1 TRP A 821 13.828 5.404 -3.245 1.00 10.31 H new ATOM 0 HE3 TRP A 821 12.729 9.137 -6.995 1.00 40.13 H new ATOM 0 HZ2 TRP A 821 13.624 8.023 -2.163 1.00 64.15 H new ATOM 0 HZ3 TRP A 821 12.756 10.883 -5.227 1.00 33.11 H new ATOM 0 HH2 TRP A 821 13.183 10.389 -2.881 1.00 70.24 H new ATOM 664 N ARG A 822 12.446 3.631 -9.938 1.00 33.53 N ATOM 665 CA ARG A 822 11.948 3.233 -11.244 1.00 1.22 C ATOM 666 C ARG A 822 10.648 3.974 -11.564 1.00 63.24 C ATOM 667 O ARG A 822 9.627 3.753 -10.915 1.00 5.03 O ATOM 668 CB ARG A 822 11.696 1.725 -11.302 1.00 15.34 C ATOM 669 CG ARG A 822 11.737 1.217 -12.744 1.00 44.32 C ATOM 670 CD ARG A 822 11.000 -0.117 -12.877 1.00 40.23 C ATOM 671 NE ARG A 822 11.084 -0.605 -14.272 1.00 5.21 N ATOM 672 CZ ARG A 822 10.200 -1.458 -14.830 1.00 30.51 C ATOM 673 NH1 ARG A 822 9.155 -1.927 -14.115 1.00 11.41 N ATOM 674 NH2 ARG A 822 10.372 -1.829 -16.085 1.00 44.21 N ATOM 0 H ARG A 822 12.101 3.068 -9.161 1.00 33.53 H new ATOM 0 HA ARG A 822 12.708 3.490 -11.982 1.00 1.22 H new ATOM 0 HB2 ARG A 822 12.447 1.204 -10.708 1.00 15.34 H new ATOM 0 HB3 ARG A 822 10.726 1.498 -10.860 1.00 15.34 H new ATOM 0 HG2 ARG A 822 11.283 1.955 -13.406 1.00 44.32 H new ATOM 0 HG3 ARG A 822 12.773 1.097 -13.062 1.00 44.32 H new ATOM 0 HD2 ARG A 822 11.435 -0.851 -12.199 1.00 40.23 H new ATOM 0 HD3 ARG A 822 9.956 0.004 -12.588 1.00 40.23 H new ATOM 0 HE ARG A 822 11.859 -0.276 -14.848 1.00 5.21 H new ATOM 0 HH11 ARG A 822 9.029 -1.637 -13.145 1.00 11.41 H new ATOM 0 HH12 ARG A 822 8.491 -2.572 -14.545 1.00 11.41 H new ATOM 0 HH21 ARG A 822 11.164 -1.471 -16.618 1.00 44.21 H new ATOM 0 HH22 ARG A 822 9.713 -2.473 -16.521 1.00 44.21 H new ATOM 687 N GLY A 823 10.728 4.837 -12.566 1.00 42.31 N ATOM 688 CA GLY A 823 9.571 5.612 -12.981 1.00 32.32 C ATOM 689 C GLY A 823 9.397 5.568 -14.500 1.00 63.33 C ATOM 690 O GLY A 823 9.790 4.597 -15.146 1.00 1.03 O ATOM 0 H GLY A 823 11.576 5.017 -13.103 1.00 42.31 H new ATOM 0 HA2 GLY A 823 8.675 5.222 -12.497 1.00 32.32 H new ATOM 0 HA3 GLY A 823 9.685 6.646 -12.654 1.00 32.32 H new ATOM 694 N GLU A 824 8.809 6.631 -15.028 1.00 12.13 N ATOM 695 CA GLU A 824 8.579 6.726 -16.459 1.00 55.13 C ATOM 696 C GLU A 824 8.259 8.170 -16.851 1.00 1.32 C ATOM 697 O GLU A 824 7.812 8.958 -16.019 1.00 5.43 O ATOM 698 CB GLU A 824 7.461 5.779 -16.899 1.00 35.21 C ATOM 699 CG GLU A 824 6.837 6.241 -18.217 1.00 52.23 C ATOM 700 CD GLU A 824 5.728 5.286 -18.664 1.00 1.00 C ATOM 701 OE1 GLU A 824 4.589 5.391 -18.185 1.00 23.45 O ATOM 702 OE2 GLU A 824 6.083 4.411 -19.543 1.00 4.30 O ATOM 0 H GLU A 824 8.485 7.435 -14.490 1.00 12.13 H new ATOM 0 HA GLU A 824 9.491 6.424 -16.974 1.00 55.13 H new ATOM 0 HB2 GLU A 824 7.858 4.771 -17.015 1.00 35.21 H new ATOM 0 HB3 GLU A 824 6.694 5.733 -16.126 1.00 35.21 H new ATOM 0 HG2 GLU A 824 6.431 7.246 -18.099 1.00 52.23 H new ATOM 0 HG3 GLU A 824 7.606 6.297 -18.988 1.00 52.23 H new ATOM 710 N ILE A 825 8.500 8.473 -18.118 1.00 4.42 N ATOM 711 CA ILE A 825 8.244 9.809 -18.630 1.00 20.13 C ATOM 712 C ILE A 825 7.950 9.728 -20.129 1.00 42.00 C ATOM 713 O ILE A 825 8.720 9.137 -20.885 1.00 51.20 O ATOM 714 CB ILE A 825 9.400 10.748 -18.279 1.00 51.13 C ATOM 715 CG1 ILE A 825 9.238 11.314 -16.867 1.00 54.21 C ATOM 716 CG2 ILE A 825 9.545 11.854 -19.327 1.00 33.21 C ATOM 717 CD1 ILE A 825 10.117 12.550 -16.668 1.00 13.44 C ATOM 0 H ILE A 825 8.870 7.816 -18.805 1.00 4.42 H new ATOM 0 HA ILE A 825 7.361 10.237 -18.155 1.00 20.13 H new ATOM 0 HB ILE A 825 10.324 10.171 -18.290 1.00 51.13 H new ATOM 0 HG12 ILE A 825 8.194 11.574 -16.693 1.00 54.21 H new ATOM 0 HG13 ILE A 825 9.503 10.553 -16.133 1.00 54.21 H new ATOM 0 HG21 ILE A 825 10.373 12.508 -19.054 1.00 33.21 H new ATOM 0 HG22 ILE A 825 9.741 11.408 -20.302 1.00 33.21 H new ATOM 0 HG23 ILE A 825 8.624 12.435 -19.372 1.00 33.21 H new ATOM 0 HD11 ILE A 825 9.983 12.933 -15.656 1.00 13.44 H new ATOM 0 HD12 ILE A 825 11.162 12.281 -16.819 1.00 13.44 H new ATOM 0 HD13 ILE A 825 9.833 13.318 -17.387 1.00 13.44 H new ATOM 729 N TYR A 826 6.835 10.330 -20.514 1.00 52.34 N ATOM 730 CA TYR A 826 6.430 10.334 -21.910 1.00 32.22 C ATOM 731 C TYR A 826 6.213 8.908 -22.421 1.00 51.34 C ATOM 732 O TYR A 826 6.274 8.661 -23.625 1.00 22.33 O ATOM 733 CB TYR A 826 7.587 10.970 -22.683 1.00 73.10 C ATOM 734 CG TYR A 826 8.110 12.267 -22.064 1.00 3.23 C ATOM 735 CD1 TYR A 826 7.279 13.043 -21.282 1.00 1.13 C ATOM 736 CD2 TYR A 826 9.414 12.662 -22.287 1.00 70.50 C ATOM 737 CE1 TYR A 826 7.772 14.264 -20.699 1.00 11.22 C ATOM 738 CE2 TYR A 826 9.907 13.883 -21.704 1.00 72.41 C ATOM 739 CZ TYR A 826 9.061 14.624 -20.939 1.00 24.42 C ATOM 740 OH TYR A 826 9.527 15.777 -20.388 1.00 71.22 O ATOM 0 H TYR A 826 6.199 10.819 -19.884 1.00 52.34 H new ATOM 0 HA TYR A 826 5.494 10.878 -22.037 1.00 32.22 H new ATOM 0 HB2 TYR A 826 8.406 10.253 -22.746 1.00 73.10 H new ATOM 0 HB3 TYR A 826 7.261 11.172 -23.703 1.00 73.10 H new ATOM 0 HD1 TYR A 826 6.259 12.735 -21.107 1.00 1.13 H new ATOM 0 HD2 TYR A 826 10.065 12.055 -22.899 1.00 70.50 H new ATOM 0 HE1 TYR A 826 7.132 14.880 -20.085 1.00 11.22 H new ATOM 0 HE2 TYR A 826 10.925 14.203 -21.870 1.00 72.41 H new ATOM 0 HH TYR A 826 10.229 15.568 -19.737 1.00 71.22 H new ATOM 750 N GLY A 827 5.964 8.008 -21.482 1.00 12.02 N ATOM 751 CA GLY A 827 5.738 6.614 -21.822 1.00 75.34 C ATOM 752 C GLY A 827 7.054 5.834 -21.843 1.00 74.32 C ATOM 753 O GLY A 827 7.076 4.657 -22.199 1.00 61.52 O ATOM 0 H GLY A 827 5.914 8.217 -20.485 1.00 12.02 H new ATOM 0 HA2 GLY A 827 5.057 6.165 -21.099 1.00 75.34 H new ATOM 0 HA3 GLY A 827 5.256 6.547 -22.797 1.00 75.34 H new ATOM 757 N ARG A 828 8.118 6.521 -21.457 1.00 42.42 N ATOM 758 CA ARG A 828 9.435 5.908 -21.427 1.00 60.11 C ATOM 759 C ARG A 828 9.751 5.397 -20.020 1.00 14.23 C ATOM 760 O ARG A 828 9.798 6.176 -19.069 1.00 15.11 O ATOM 761 CB ARG A 828 10.516 6.902 -21.856 1.00 11.34 C ATOM 762 CG ARG A 828 10.190 7.512 -23.220 1.00 51.15 C ATOM 763 CD ARG A 828 11.166 8.639 -23.565 1.00 21.21 C ATOM 764 NE ARG A 828 10.559 9.547 -24.563 1.00 71.25 N ATOM 765 CZ ARG A 828 10.643 9.368 -25.899 1.00 3.10 C ATOM 766 NH1 ARG A 828 11.312 8.311 -26.408 1.00 14.40 N ATOM 767 NH2 ARG A 828 10.063 10.242 -26.700 1.00 14.34 N ATOM 0 H ARG A 828 8.095 7.497 -21.162 1.00 42.42 H new ATOM 0 HA ARG A 828 9.427 5.073 -22.127 1.00 60.11 H new ATOM 0 HB2 ARG A 828 10.604 7.693 -21.111 1.00 11.34 H new ATOM 0 HB3 ARG A 828 11.481 6.398 -21.900 1.00 11.34 H new ATOM 0 HG2 ARG A 828 10.235 6.740 -23.988 1.00 51.15 H new ATOM 0 HG3 ARG A 828 9.171 7.898 -23.215 1.00 51.15 H new ATOM 0 HD2 ARG A 828 11.424 9.196 -22.664 1.00 21.21 H new ATOM 0 HD3 ARG A 828 12.093 8.221 -23.958 1.00 21.21 H new ATOM 0 HE ARG A 828 10.045 10.359 -24.221 1.00 71.25 H new ATOM 0 HH11 ARG A 828 11.759 7.641 -25.782 1.00 14.40 H new ATOM 0 HH12 ARG A 828 11.371 8.183 -27.418 1.00 14.40 H new ATOM 0 HH21 ARG A 828 9.561 11.038 -26.308 1.00 14.34 H new ATOM 0 HH22 ARG A 828 10.117 10.121 -27.711 1.00 14.34 H new ATOM 780 N ILE A 829 9.959 4.092 -19.931 1.00 72.33 N ATOM 781 CA ILE A 829 10.269 3.468 -18.656 1.00 74.11 C ATOM 782 C ILE A 829 11.787 3.397 -18.484 1.00 21.15 C ATOM 783 O ILE A 829 12.530 3.465 -19.461 1.00 44.12 O ATOM 784 CB ILE A 829 9.572 2.110 -18.540 1.00 43.55 C ATOM 785 CG1 ILE A 829 8.060 2.253 -18.722 1.00 33.14 C ATOM 786 CG2 ILE A 829 9.929 1.422 -17.222 1.00 23.33 C ATOM 787 CD1 ILE A 829 7.363 2.453 -17.374 1.00 54.24 C ATOM 0 H ILE A 829 9.919 3.449 -20.722 1.00 72.33 H new ATOM 0 HA ILE A 829 9.882 4.070 -17.833 1.00 74.11 H new ATOM 0 HB ILE A 829 9.933 1.470 -19.345 1.00 43.55 H new ATOM 0 HG12 ILE A 829 7.847 3.099 -19.375 1.00 33.14 H new ATOM 0 HG13 ILE A 829 7.663 1.364 -19.213 1.00 33.14 H new ATOM 0 HG21 ILE A 829 9.421 0.459 -17.165 1.00 23.33 H new ATOM 0 HG22 ILE A 829 11.007 1.267 -17.173 1.00 23.33 H new ATOM 0 HG23 ILE A 829 9.614 2.049 -16.388 1.00 23.33 H new ATOM 0 HD11 ILE A 829 6.289 2.552 -17.531 1.00 54.24 H new ATOM 0 HD12 ILE A 829 7.558 1.594 -16.732 1.00 54.24 H new ATOM 0 HD13 ILE A 829 7.745 3.356 -16.897 1.00 54.24 H new ATOM 799 N GLY A 830 12.203 3.261 -17.233 1.00 32.31 N ATOM 800 CA GLY A 830 13.619 3.180 -16.920 1.00 24.43 C ATOM 801 C GLY A 830 13.864 3.404 -15.426 1.00 64.31 C ATOM 802 O GLY A 830 12.959 3.231 -14.612 1.00 55.21 O ATOM 0 H GLY A 830 11.584 3.205 -16.425 1.00 32.31 H new ATOM 0 HA2 GLY A 830 14.005 2.203 -17.213 1.00 24.43 H new ATOM 0 HA3 GLY A 830 14.166 3.925 -17.498 1.00 24.43 H new ATOM 806 N TRP A 831 15.094 3.785 -15.111 1.00 73.33 N ATOM 807 CA TRP A 831 15.469 4.034 -13.730 1.00 43.10 C ATOM 808 C TRP A 831 16.162 5.397 -13.667 1.00 54.10 C ATOM 809 O TRP A 831 16.397 6.026 -14.698 1.00 25.24 O ATOM 810 CB TRP A 831 16.336 2.898 -13.184 1.00 33.33 C ATOM 811 CG TRP A 831 15.639 1.536 -13.170 1.00 21.44 C ATOM 812 CD1 TRP A 831 15.343 0.749 -14.214 1.00 3.33 C ATOM 813 CD2 TRP A 831 15.160 0.827 -12.007 1.00 60.23 C ATOM 814 NE1 TRP A 831 14.711 -0.410 -13.811 1.00 42.41 N ATOM 815 CE2 TRP A 831 14.596 -0.361 -12.427 1.00 4.14 C ATOM 816 CE3 TRP A 831 15.202 1.178 -10.646 1.00 72.34 C ATOM 817 CZ2 TRP A 831 14.032 -1.294 -11.549 1.00 13.34 C ATOM 818 CZ3 TRP A 831 14.633 0.235 -9.782 1.00 22.24 C ATOM 819 CH2 TRP A 831 14.062 -0.965 -10.188 1.00 32.30 C ATOM 0 H TRP A 831 15.843 3.927 -15.789 1.00 73.33 H new ATOM 0 HA TRP A 831 14.587 4.061 -13.090 1.00 43.10 H new ATOM 0 HB2 TRP A 831 17.242 2.825 -13.785 1.00 33.33 H new ATOM 0 HB3 TRP A 831 16.646 3.147 -12.169 1.00 33.33 H new ATOM 0 HD1 TRP A 831 15.570 0.991 -15.242 1.00 3.33 H new ATOM 0 HE1 TRP A 831 14.388 -1.164 -14.417 1.00 42.41 H new ATOM 0 HE3 TRP A 831 15.638 2.102 -10.295 1.00 72.34 H new ATOM 0 HZ2 TRP A 831 13.597 -2.217 -11.902 1.00 13.34 H new ATOM 0 HZ3 TRP A 831 14.638 0.456 -8.725 1.00 22.24 H new ATOM 0 HH2 TRP A 831 13.643 -1.641 -9.457 1.00 32.30 H new ATOM 830 N PHE A 832 16.468 5.814 -12.447 1.00 72.32 N ATOM 831 CA PHE A 832 17.128 7.091 -12.236 1.00 64.42 C ATOM 832 C PHE A 832 17.409 7.324 -10.750 1.00 51.03 C ATOM 833 O PHE A 832 16.718 6.778 -9.891 1.00 43.13 O ATOM 834 CB PHE A 832 16.175 8.176 -12.740 1.00 31.03 C ATOM 835 CG PHE A 832 14.791 8.139 -12.089 1.00 75.33 C ATOM 836 CD1 PHE A 832 14.584 8.754 -10.894 1.00 52.44 C ATOM 837 CD2 PHE A 832 13.767 7.490 -12.706 1.00 73.21 C ATOM 838 CE1 PHE A 832 13.299 8.720 -10.291 1.00 31.22 C ATOM 839 CE2 PHE A 832 12.482 7.455 -12.102 1.00 51.24 C ATOM 840 CZ PHE A 832 12.275 8.071 -10.908 1.00 21.04 C ATOM 0 H PHE A 832 16.271 5.290 -11.594 1.00 72.32 H new ATOM 0 HA PHE A 832 18.081 7.109 -12.765 1.00 64.42 H new ATOM 0 HB2 PHE A 832 16.624 9.153 -12.559 1.00 31.03 H new ATOM 0 HB3 PHE A 832 16.061 8.072 -13.819 1.00 31.03 H new ATOM 0 HD1 PHE A 832 15.397 9.268 -10.403 1.00 52.44 H new ATOM 0 HD2 PHE A 832 13.931 7.001 -13.655 1.00 73.21 H new ATOM 0 HE1 PHE A 832 13.135 9.209 -9.342 1.00 31.22 H new ATOM 0 HE2 PHE A 832 11.669 6.939 -12.591 1.00 51.24 H new ATOM 0 HZ PHE A 832 11.298 8.045 -10.449 1.00 21.04 H new ATOM 850 N PRO A 833 18.451 8.157 -10.486 1.00 55.50 N ATOM 851 CA PRO A 833 18.831 8.470 -9.119 1.00 32.11 C ATOM 852 C PRO A 833 17.841 9.449 -8.485 1.00 2.34 C ATOM 853 O PRO A 833 17.296 10.316 -9.167 1.00 24.13 O ATOM 854 CB PRO A 833 20.240 9.031 -9.221 1.00 54.40 C ATOM 855 CG PRO A 833 20.419 9.445 -10.673 1.00 2.24 C ATOM 856 CD PRO A 833 19.291 8.822 -11.478 1.00 12.01 C ATOM 0 HA PRO A 833 18.811 7.597 -8.466 1.00 32.11 H new ATOM 0 HB2 PRO A 833 20.371 9.882 -8.553 1.00 54.40 H new ATOM 0 HB3 PRO A 833 20.980 8.284 -8.934 1.00 54.40 H new ATOM 0 HG2 PRO A 833 20.399 10.531 -10.765 1.00 2.24 H new ATOM 0 HG3 PRO A 833 21.386 9.111 -11.049 1.00 2.24 H new ATOM 0 HD2 PRO A 833 18.731 9.579 -12.027 1.00 12.01 H new ATOM 0 HD3 PRO A 833 19.673 8.113 -12.212 1.00 12.01 H new ATOM 864 N SER A 834 17.639 9.279 -7.186 1.00 71.24 N ATOM 865 CA SER A 834 16.725 10.137 -6.452 1.00 54.14 C ATOM 866 C SER A 834 17.437 11.425 -6.034 1.00 64.32 C ATOM 867 O SER A 834 16.804 12.357 -5.542 1.00 42.30 O ATOM 868 CB SER A 834 16.162 9.419 -5.224 1.00 55.22 C ATOM 869 OG SER A 834 17.128 9.303 -4.184 1.00 24.01 O ATOM 0 H SER A 834 18.093 8.559 -6.623 1.00 71.24 H new ATOM 0 HA SER A 834 15.891 10.387 -7.107 1.00 54.14 H new ATOM 0 HB2 SER A 834 15.293 9.963 -4.853 1.00 55.22 H new ATOM 0 HB3 SER A 834 15.817 8.426 -5.511 1.00 55.22 H new ATOM 0 HG SER A 834 16.729 8.840 -3.417 1.00 24.01 H new ATOM 875 N ASN A 835 18.745 11.435 -6.245 1.00 63.55 N ATOM 876 CA ASN A 835 19.551 12.592 -5.897 1.00 1.24 C ATOM 877 C ASN A 835 19.372 13.673 -6.964 1.00 51.43 C ATOM 878 O ASN A 835 19.750 14.825 -6.756 1.00 41.12 O ATOM 879 CB ASN A 835 21.036 12.231 -5.834 1.00 64.13 C ATOM 880 CG ASN A 835 21.238 10.845 -5.218 1.00 3.44 C ATOM 881 OD1 ASN A 835 20.331 10.244 -4.667 1.00 55.11 O ATOM 882 ND2 ASN A 835 22.476 10.374 -5.340 1.00 31.12 N ATOM 0 H ASN A 835 19.267 10.659 -6.653 1.00 63.55 H new ATOM 0 HA ASN A 835 19.225 12.947 -4.920 1.00 1.24 H new ATOM 0 HB2 ASN A 835 21.462 12.253 -6.837 1.00 64.13 H new ATOM 0 HB3 ASN A 835 21.570 12.976 -5.245 1.00 64.13 H new ATOM 0 HD21 ASN A 835 22.713 9.457 -4.960 1.00 31.12 H new ATOM 0 HD22 ASN A 835 23.189 10.929 -5.814 1.00 31.12 H new ATOM 889 N TYR A 836 18.795 13.264 -8.084 1.00 70.25 N ATOM 890 CA TYR A 836 18.561 14.183 -9.185 1.00 40.12 C ATOM 891 C TYR A 836 17.063 14.382 -9.425 1.00 30.51 C ATOM 892 O TYR A 836 16.647 14.714 -10.534 1.00 12.24 O ATOM 893 CB TYR A 836 19.181 13.528 -10.421 1.00 33.50 C ATOM 894 CG TYR A 836 20.696 13.707 -10.527 1.00 3.04 C ATOM 895 CD1 TYR A 836 21.528 13.117 -9.596 1.00 73.01 C ATOM 896 CD2 TYR A 836 21.232 14.459 -11.552 1.00 64.12 C ATOM 897 CE1 TYR A 836 22.954 13.286 -9.695 1.00 63.15 C ATOM 898 CE2 TYR A 836 22.659 14.628 -11.652 1.00 20.25 C ATOM 899 CZ TYR A 836 23.450 14.033 -10.718 1.00 75.13 C ATOM 900 OH TYR A 836 24.797 14.192 -10.812 1.00 51.51 O ATOM 0 H TYR A 836 18.482 12.308 -8.253 1.00 70.25 H new ATOM 0 HA TYR A 836 18.994 15.159 -8.968 1.00 40.12 H new ATOM 0 HB2 TYR A 836 18.952 12.462 -10.408 1.00 33.50 H new ATOM 0 HB3 TYR A 836 18.713 13.944 -11.313 1.00 33.50 H new ATOM 0 HD1 TYR A 836 21.109 12.529 -8.793 1.00 73.01 H new ATOM 0 HD2 TYR A 836 20.581 14.921 -12.280 1.00 64.12 H new ATOM 0 HE1 TYR A 836 23.615 12.830 -8.973 1.00 63.15 H new ATOM 0 HE2 TYR A 836 23.091 15.214 -12.450 1.00 20.25 H new ATOM 0 HH TYR A 836 25.007 14.748 -11.591 1.00 51.51 H new ATOM 910 N VAL A 837 16.294 14.169 -8.367 1.00 73.04 N ATOM 911 CA VAL A 837 14.851 14.320 -8.449 1.00 11.31 C ATOM 912 C VAL A 837 14.299 14.659 -7.063 1.00 11.23 C ATOM 913 O VAL A 837 15.010 14.553 -6.065 1.00 32.14 O ATOM 914 CB VAL A 837 14.226 13.060 -9.050 1.00 35.34 C ATOM 915 CG1 VAL A 837 14.879 12.708 -10.387 1.00 61.34 C ATOM 916 CG2 VAL A 837 14.311 11.886 -8.072 1.00 12.02 C ATOM 0 H VAL A 837 16.643 13.893 -7.449 1.00 73.04 H new ATOM 0 HA VAL A 837 14.590 15.144 -9.113 1.00 11.31 H new ATOM 0 HB VAL A 837 13.172 13.265 -9.236 1.00 35.34 H new ATOM 0 HG11 VAL A 837 14.416 11.808 -10.792 1.00 61.34 H new ATOM 0 HG12 VAL A 837 14.743 13.533 -11.087 1.00 61.34 H new ATOM 0 HG13 VAL A 837 15.944 12.532 -10.236 1.00 61.34 H new ATOM 0 HG21 VAL A 837 13.860 11.003 -8.524 1.00 12.02 H new ATOM 0 HG22 VAL A 837 15.356 11.681 -7.840 1.00 12.02 H new ATOM 0 HG23 VAL A 837 13.778 12.137 -7.155 1.00 12.02 H new ATOM 926 N GLU A 838 13.036 15.060 -7.046 1.00 3.24 N ATOM 927 CA GLU A 838 12.381 15.415 -5.798 1.00 53.34 C ATOM 928 C GLU A 838 11.219 14.460 -5.519 1.00 13.12 C ATOM 929 O GLU A 838 10.853 13.655 -6.374 1.00 22.45 O ATOM 930 CB GLU A 838 11.902 16.868 -5.825 1.00 11.11 C ATOM 931 CG GLU A 838 12.975 17.809 -5.275 1.00 3.45 C ATOM 932 CD GLU A 838 12.360 19.131 -4.810 1.00 33.21 C ATOM 933 OE1 GLU A 838 12.945 19.824 -3.965 1.00 1.04 O ATOM 934 OE2 GLU A 838 11.232 19.430 -5.360 1.00 42.54 O ATOM 0 H GLU A 838 12.449 15.147 -7.876 1.00 3.24 H new ATOM 0 HA GLU A 838 13.106 15.321 -4.989 1.00 53.34 H new ATOM 0 HB2 GLU A 838 11.652 17.153 -6.847 1.00 11.11 H new ATOM 0 HB3 GLU A 838 10.991 16.965 -5.235 1.00 11.11 H new ATOM 0 HG2 GLU A 838 13.491 17.331 -4.442 1.00 3.45 H new ATOM 0 HG3 GLU A 838 13.723 18.002 -6.044 1.00 3.45 H new ATOM 942 N GLU A 839 10.670 14.582 -4.319 1.00 22.52 N ATOM 943 CA GLU A 839 9.557 13.739 -3.916 1.00 21.11 C ATOM 944 C GLU A 839 8.636 14.498 -2.958 1.00 65.31 C ATOM 945 O GLU A 839 9.107 15.232 -2.091 1.00 12.04 O ATOM 946 CB GLU A 839 10.055 12.438 -3.283 1.00 2.34 C ATOM 947 CG GLU A 839 10.250 11.352 -4.342 1.00 70.11 C ATOM 948 CD GLU A 839 8.913 10.715 -4.726 1.00 71.15 C ATOM 949 OE1 GLU A 839 8.849 9.498 -4.954 1.00 32.31 O ATOM 950 OE2 GLU A 839 7.916 11.532 -4.784 1.00 44.03 O ATOM 0 H GLU A 839 10.975 15.252 -3.613 1.00 22.52 H new ATOM 0 HA GLU A 839 8.986 13.475 -4.806 1.00 21.11 H new ATOM 0 HB2 GLU A 839 10.997 12.619 -2.765 1.00 2.34 H new ATOM 0 HB3 GLU A 839 9.340 12.097 -2.535 1.00 2.34 H new ATOM 0 HG2 GLU A 839 10.720 11.782 -5.227 1.00 70.11 H new ATOM 0 HG3 GLU A 839 10.926 10.586 -3.962 1.00 70.11 H new ATOM 958 N ASP A 840 7.341 14.294 -3.148 1.00 1.34 N ATOM 959 CA ASP A 840 6.350 14.950 -2.311 1.00 43.12 C ATOM 960 C ASP A 840 6.707 16.432 -2.172 1.00 75.44 C ATOM 961 O ASP A 840 6.340 17.072 -1.188 1.00 45.22 O ATOM 962 CB ASP A 840 6.320 14.338 -0.910 1.00 24.35 C ATOM 963 CG ASP A 840 5.326 14.984 0.058 1.00 44.05 C ATOM 964 OD1 ASP A 840 4.109 14.971 -0.175 1.00 55.34 O ATOM 965 OD2 ASP A 840 5.855 15.525 1.102 1.00 4.03 O ATOM 0 H ASP A 840 6.955 13.684 -3.869 1.00 1.34 H new ATOM 0 HA ASP A 840 5.375 14.823 -2.781 1.00 43.12 H new ATOM 0 HB2 ASP A 840 6.081 13.278 -0.998 1.00 24.35 H new ATOM 0 HB3 ASP A 840 7.319 14.405 -0.479 1.00 24.35 H new ATOM 971 N TYR A 841 7.416 16.933 -3.172 1.00 64.15 N ATOM 972 CA TYR A 841 7.826 18.327 -3.174 1.00 62.13 C ATOM 973 C TYR A 841 6.614 19.255 -3.078 1.00 14.12 C ATOM 974 O TYR A 841 5.483 18.792 -2.932 1.00 3.32 O ATOM 975 CB TYR A 841 8.526 18.559 -4.515 1.00 54.11 C ATOM 976 CG TYR A 841 7.779 17.974 -5.716 1.00 0.52 C ATOM 977 CD1 TYR A 841 6.758 18.690 -6.309 1.00 21.45 C ATOM 978 CD2 TYR A 841 8.126 16.732 -6.206 1.00 43.12 C ATOM 979 CE1 TYR A 841 6.055 18.139 -7.439 1.00 4.44 C ATOM 980 CE2 TYR A 841 7.424 16.182 -7.336 1.00 73.03 C ATOM 981 CZ TYR A 841 6.423 16.913 -7.897 1.00 31.23 C ATOM 982 OH TYR A 841 5.759 16.393 -8.964 1.00 43.11 O ATOM 0 H TYR A 841 7.717 16.399 -3.987 1.00 64.15 H new ATOM 0 HA TYR A 841 8.473 18.538 -2.323 1.00 62.13 H new ATOM 0 HB2 TYR A 841 8.653 19.631 -4.666 1.00 54.11 H new ATOM 0 HB3 TYR A 841 9.524 18.122 -4.473 1.00 54.11 H new ATOM 0 HD1 TYR A 841 6.487 19.663 -5.926 1.00 21.45 H new ATOM 0 HD2 TYR A 841 8.924 16.172 -5.742 1.00 43.12 H new ATOM 0 HE1 TYR A 841 5.254 18.687 -7.912 1.00 4.44 H new ATOM 0 HE2 TYR A 841 7.686 15.211 -7.730 1.00 73.03 H new ATOM 0 HH TYR A 841 5.444 17.121 -9.540 1.00 43.11 H new ATOM 992 N SER A 842 6.890 20.548 -3.163 1.00 71.02 N ATOM 993 CA SER A 842 5.836 21.545 -3.087 1.00 52.23 C ATOM 994 C SER A 842 5.610 22.174 -4.464 1.00 4.23 C ATOM 995 O SER A 842 6.331 21.872 -5.414 1.00 11.12 O ATOM 996 CB SER A 842 6.173 22.626 -2.059 1.00 3.14 C ATOM 997 OG SER A 842 7.446 23.218 -2.304 1.00 50.34 O ATOM 0 H SER A 842 7.829 20.928 -3.284 1.00 71.02 H new ATOM 0 HA SER A 842 4.920 21.050 -2.766 1.00 52.23 H new ATOM 0 HB2 SER A 842 5.404 23.398 -2.080 1.00 3.14 H new ATOM 0 HB3 SER A 842 6.162 22.192 -1.059 1.00 3.14 H new ATOM 0 HG SER A 842 7.623 23.904 -1.627 1.00 50.34 H new ATOM 1003 N GLU A 843 4.607 23.038 -4.527 1.00 64.53 N ATOM 1004 CA GLU A 843 4.278 23.712 -5.772 1.00 20.24 C ATOM 1005 C GLU A 843 4.613 25.201 -5.673 1.00 11.41 C ATOM 1006 O GLU A 843 4.505 25.796 -4.601 1.00 62.24 O ATOM 1007 CB GLU A 843 2.807 23.504 -6.135 1.00 74.52 C ATOM 1008 CG GLU A 843 2.588 23.651 -7.642 1.00 61.54 C ATOM 1009 CD GLU A 843 1.398 22.809 -8.108 1.00 42.15 C ATOM 1010 OE1 GLU A 843 1.362 22.377 -9.270 1.00 53.02 O ATOM 1011 OE2 GLU A 843 0.490 22.607 -7.215 1.00 53.51 O ATOM 0 H GLU A 843 4.012 23.287 -3.737 1.00 64.53 H new ATOM 0 HA GLU A 843 4.880 23.276 -6.569 1.00 20.24 H new ATOM 0 HB2 GLU A 843 2.486 22.514 -5.812 1.00 74.52 H new ATOM 0 HB3 GLU A 843 2.191 24.229 -5.602 1.00 74.52 H new ATOM 0 HG2 GLU A 843 2.415 24.699 -7.887 1.00 61.54 H new ATOM 0 HG3 GLU A 843 3.487 23.343 -8.176 1.00 61.54 H new ATOM 1019 N TYR A 844 5.012 25.762 -6.805 1.00 63.21 N ATOM 1020 CA TYR A 844 5.364 27.171 -6.860 1.00 34.34 C ATOM 1021 C TYR A 844 4.489 27.915 -7.870 1.00 51.25 C ATOM 1022 O TYR A 844 5.000 28.627 -8.734 1.00 22.51 O ATOM 1023 CB TYR A 844 6.820 27.224 -7.326 1.00 13.50 C ATOM 1024 CG TYR A 844 7.590 28.446 -6.821 1.00 41.01 C ATOM 1025 CD1 TYR A 844 6.919 29.622 -6.551 1.00 23.31 C ATOM 1026 CD2 TYR A 844 8.956 28.373 -6.636 1.00 33.42 C ATOM 1027 CE1 TYR A 844 7.644 30.771 -6.076 1.00 4.53 C ATOM 1028 CE2 TYR A 844 9.681 29.522 -6.161 1.00 13.35 C ATOM 1029 CZ TYR A 844 8.989 30.665 -5.904 1.00 3.11 C ATOM 1030 OH TYR A 844 9.674 31.751 -5.455 1.00 61.01 O ATOM 0 H TYR A 844 5.099 25.266 -7.692 1.00 63.21 H new ATOM 0 HA TYR A 844 5.220 27.641 -5.887 1.00 34.34 H new ATOM 0 HB2 TYR A 844 7.331 26.321 -6.991 1.00 13.50 H new ATOM 0 HB3 TYR A 844 6.843 27.218 -8.416 1.00 13.50 H new ATOM 0 HD1 TYR A 844 5.850 29.680 -6.696 1.00 23.31 H new ATOM 0 HD2 TYR A 844 9.481 27.453 -6.848 1.00 33.42 H new ATOM 0 HE1 TYR A 844 7.131 31.697 -5.861 1.00 4.53 H new ATOM 0 HE2 TYR A 844 10.750 29.478 -6.012 1.00 13.35 H new ATOM 0 HH TYR A 844 10.625 31.529 -5.379 1.00 61.01 H new ATOM 1040 N LEU A 845 3.185 27.726 -7.729 1.00 62.24 N ATOM 1041 CA LEU A 845 2.235 28.371 -8.620 1.00 33.55 C ATOM 1042 C LEU A 845 2.652 29.826 -8.836 1.00 41.51 C ATOM 1043 O LEU A 845 3.350 30.406 -8.006 1.00 10.14 O ATOM 1044 CB LEU A 845 0.809 28.212 -8.087 1.00 3.13 C ATOM 1045 CG LEU A 845 0.154 26.849 -8.318 1.00 24.31 C ATOM 1046 CD1 LEU A 845 -1.138 26.718 -7.511 1.00 35.44 C ATOM 1047 CD2 LEU A 845 -0.073 26.596 -9.810 1.00 31.34 C ATOM 0 H LEU A 845 2.764 27.136 -7.011 1.00 62.24 H new ATOM 0 HA LEU A 845 2.241 27.889 -9.598 1.00 33.55 H new ATOM 0 HB2 LEU A 845 0.819 28.411 -7.015 1.00 3.13 H new ATOM 0 HB3 LEU A 845 0.183 28.976 -8.548 1.00 3.13 H new ATOM 0 HG LEU A 845 0.836 26.077 -7.961 1.00 24.31 H new ATOM 0 HD11 LEU A 845 -1.583 25.740 -7.693 1.00 35.44 H new ATOM 0 HD12 LEU A 845 -0.916 26.823 -6.449 1.00 35.44 H new ATOM 0 HD13 LEU A 845 -1.837 27.497 -7.814 1.00 35.44 H new ATOM 0 HD21 LEU A 845 -0.540 25.620 -9.947 1.00 31.34 H new ATOM 0 HD22 LEU A 845 -0.725 27.370 -10.215 1.00 31.34 H new ATOM 0 HD23 LEU A 845 0.884 26.617 -10.332 1.00 31.34 H new ATOM 1059 N PRO A 846 2.195 30.390 -9.986 1.00 42.33 N ATOM 1060 CA PRO A 846 2.514 31.767 -10.323 1.00 14.53 C ATOM 1061 C PRO A 846 1.692 32.743 -9.477 1.00 73.43 C ATOM 1062 O PRO A 846 0.830 32.326 -8.705 1.00 13.00 O ATOM 1063 CB PRO A 846 2.228 31.885 -11.811 1.00 3.00 C ATOM 1064 CG PRO A 846 1.325 30.712 -12.156 1.00 41.11 C ATOM 1065 CD PRO A 846 1.366 29.734 -10.993 1.00 43.23 C ATOM 0 HA PRO A 846 3.552 32.022 -10.109 1.00 14.53 H new ATOM 0 HB2 PRO A 846 1.742 32.833 -12.041 1.00 3.00 H new ATOM 0 HB3 PRO A 846 3.151 31.851 -12.390 1.00 3.00 H new ATOM 0 HG2 PRO A 846 0.305 31.054 -12.331 1.00 41.11 H new ATOM 0 HG3 PRO A 846 1.661 30.229 -13.073 1.00 41.11 H new ATOM 0 HD2 PRO A 846 0.366 29.531 -10.611 1.00 43.23 H new ATOM 0 HD3 PRO A 846 1.792 28.777 -11.295 1.00 43.23 H new ATOM 1073 N GLU A 847 1.987 34.022 -9.652 1.00 44.14 N ATOM 1074 CA GLU A 847 1.286 35.060 -8.915 1.00 64.15 C ATOM 1075 C GLU A 847 -0.176 35.131 -9.360 1.00 30.34 C ATOM 1076 O GLU A 847 -1.008 35.724 -8.675 1.00 73.30 O ATOM 1077 CB GLU A 847 1.977 36.414 -9.085 1.00 40.50 C ATOM 1078 CG GLU A 847 3.462 36.321 -8.730 1.00 64.14 C ATOM 1079 CD GLU A 847 3.690 36.605 -7.244 1.00 62.23 C ATOM 1080 OE1 GLU A 847 2.902 36.156 -6.399 1.00 75.23 O ATOM 1081 OE2 GLU A 847 4.731 37.319 -6.979 1.00 2.00 O ATOM 0 H GLU A 847 2.702 34.364 -10.294 1.00 44.14 H new ATOM 0 HA GLU A 847 1.311 34.807 -7.855 1.00 64.15 H new ATOM 0 HB2 GLU A 847 1.866 36.756 -10.114 1.00 40.50 H new ATOM 0 HB3 GLU A 847 1.493 37.155 -8.449 1.00 40.50 H new ATOM 0 HG2 GLU A 847 3.837 35.327 -8.975 1.00 64.14 H new ATOM 0 HG3 GLU A 847 4.028 37.033 -9.331 1.00 64.14 H new ATOM 1089 N THR A 848 -0.444 34.517 -10.503 1.00 14.40 N ATOM 1090 CA THR A 848 -1.792 34.503 -11.046 1.00 41.45 C ATOM 1091 C THR A 848 -2.763 33.872 -10.047 1.00 73.14 C ATOM 1092 O THR A 848 -2.344 33.324 -9.029 1.00 45.13 O ATOM 1093 CB THR A 848 -1.751 33.780 -12.394 1.00 44.21 C ATOM 1094 OG1 THR A 848 -2.888 34.280 -13.091 1.00 52.34 O ATOM 1095 CG2 THR A 848 -2.024 32.281 -12.262 1.00 62.55 C ATOM 0 H THR A 848 0.249 34.026 -11.068 1.00 14.40 H new ATOM 0 HA THR A 848 -2.161 35.515 -11.215 1.00 41.45 H new ATOM 0 HB THR A 848 -0.776 33.932 -12.858 1.00 44.21 H new ATOM 0 HG1 THR A 848 -2.937 33.865 -13.977 1.00 52.34 H new ATOM 0 HG21 THR A 848 -1.983 31.816 -13.247 1.00 62.55 H new ATOM 0 HG22 THR A 848 -1.271 31.830 -11.616 1.00 62.55 H new ATOM 0 HG23 THR A 848 -3.013 32.128 -11.829 1.00 62.55 H new TER 1103 THR A 848