USER MOD reduce.3.24.130724 H: found=0, std=0, add=682, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 678 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 58 ASN : amide:sc= -2.37! K(o=-3.5!,f=1) USER MOD Set 1.2: A 77 SER OG : rot 139:sc= -1.12 USER MOD Single : A 1 GLY N :NH3+ -147:sc= 0.00738 (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 9 THR OG1 : rot 180:sc= -0.442 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 29 HIS : no HD1:sc= -1.02 K(o=-1,f=0.1) USER MOD Single : A 30 THR OG1 : rot -169:sc= -2.23 USER MOD Single : A 35 THR OG1 : rot -140:sc= -1.45 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 THR OG1 : rot 85:sc= 0.326 USER MOD Single : A 42 LYS NZ :NH3+ -120:sc= 0.106 (180deg=-3.03!) USER MOD Single : A 60 GLN : amide:sc= -0.41 K(o=-0.41,f=-3!) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 64 ASN : amide:sc= 0.543 K(o=0.54,f=-5.9!) USER MOD Single : A 65 MET CE :methyl -111:sc= -1.15 (180deg=-5.94!) USER MOD Single : A 67 HIS : no HE2:sc= -0.184 X(o=-0.18,f=-0.079) USER MOD Single : A 71 GLN : amide:sc= -0.877 K(o=-0.88,f=-3.5!) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 GLN : amide:sc=-0.00726 X(o=-0.0073,f=-0.11) USER MOD Single : A 79 SER OG : rot -150:sc= -0.551 USER MOD Single : A 84 GLN : amide:sc= 0 X(o=0,f=-0.079) USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 92 SER OG : rot -6:sc= 0.927 USER MOD Single : A 93 SER OG : rot 37:sc= 0.41 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -1.094 31.907 10.106 1.00 0.00 N ATOM 2 CA GLY A 1 -0.986 30.606 10.745 1.00 0.00 C ATOM 3 C GLY A 1 -0.205 29.627 9.866 1.00 0.00 C ATOM 4 O GLY A 1 0.820 29.987 9.290 1.00 0.00 O ATOM 0 H1 GLY A 1 -1.091 32.652 10.832 1.00 0.00 H new ATOM 0 H2 GLY A 1 -0.288 32.046 9.464 1.00 0.00 H new ATOM 0 H3 GLY A 1 -1.981 31.955 9.564 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -0.489 30.711 11.709 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -1.982 30.209 10.941 1.00 0.00 H new ATOM 8 N SER A 2 -0.720 28.409 9.791 1.00 0.00 N ATOM 9 CA SER A 2 -0.084 27.375 8.992 1.00 0.00 C ATOM 10 C SER A 2 -1.075 26.243 8.716 1.00 0.00 C ATOM 11 O SER A 2 -2.085 26.115 9.406 1.00 0.00 O ATOM 12 CB SER A 2 1.164 26.830 9.690 1.00 0.00 C ATOM 13 OG SER A 2 2.302 26.837 8.832 1.00 0.00 O ATOM 0 H SER A 2 -1.571 28.115 10.270 1.00 0.00 H new ATOM 0 HA SER A 2 0.226 27.816 8.045 1.00 0.00 H new ATOM 0 HB2 SER A 2 1.374 27.429 10.576 1.00 0.00 H new ATOM 0 HB3 SER A 2 0.973 25.812 10.031 1.00 0.00 H new ATOM 0 HG SER A 2 3.078 26.484 9.315 1.00 0.00 H new ATOM 19 N SER A 3 -0.751 25.449 7.705 1.00 0.00 N ATOM 20 CA SER A 3 -1.600 24.332 7.329 1.00 0.00 C ATOM 21 C SER A 3 -0.772 23.047 7.256 1.00 0.00 C ATOM 22 O SER A 3 0.454 23.089 7.339 1.00 0.00 O ATOM 23 CB SER A 3 -2.294 24.593 5.991 1.00 0.00 C ATOM 24 OG SER A 3 -3.123 25.751 6.037 1.00 0.00 O ATOM 0 H SER A 3 0.088 25.558 7.135 1.00 0.00 H new ATOM 0 HA SER A 3 -2.371 24.217 8.091 1.00 0.00 H new ATOM 0 HB2 SER A 3 -1.543 24.716 5.211 1.00 0.00 H new ATOM 0 HB3 SER A 3 -2.897 23.726 5.720 1.00 0.00 H new ATOM 0 HG SER A 3 -3.547 25.885 5.164 1.00 0.00 H new ATOM 30 N GLY A 4 -1.476 21.935 7.100 1.00 0.00 N ATOM 31 CA GLY A 4 -0.821 20.641 7.014 1.00 0.00 C ATOM 32 C GLY A 4 -0.857 20.103 5.582 1.00 0.00 C ATOM 33 O GLY A 4 -1.134 20.846 4.642 1.00 0.00 O ATOM 0 H GLY A 4 -2.493 21.904 7.031 1.00 0.00 H new ATOM 0 HA2 GLY A 4 0.213 20.730 7.347 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -1.312 19.935 7.684 1.00 0.00 H new ATOM 37 N SER A 5 -0.573 18.814 5.461 1.00 0.00 N ATOM 38 CA SER A 5 -0.569 18.167 4.160 1.00 0.00 C ATOM 39 C SER A 5 -1.616 17.052 4.127 1.00 0.00 C ATOM 40 O SER A 5 -2.276 16.786 5.130 1.00 0.00 O ATOM 41 CB SER A 5 0.815 17.606 3.828 1.00 0.00 C ATOM 42 OG SER A 5 1.035 16.335 4.434 1.00 0.00 O ATOM 0 H SER A 5 -0.344 18.200 6.243 1.00 0.00 H new ATOM 0 HA SER A 5 -0.819 18.913 3.406 1.00 0.00 H new ATOM 0 HB2 SER A 5 0.920 17.515 2.747 1.00 0.00 H new ATOM 0 HB3 SER A 5 1.580 18.306 4.165 1.00 0.00 H new ATOM 0 HG SER A 5 1.929 16.010 4.197 1.00 0.00 H new ATOM 48 N SER A 6 -1.735 16.430 2.964 1.00 0.00 N ATOM 49 CA SER A 6 -2.690 15.349 2.787 1.00 0.00 C ATOM 50 C SER A 6 -1.974 14.096 2.278 1.00 0.00 C ATOM 51 O SER A 6 -0.968 14.193 1.578 1.00 0.00 O ATOM 52 CB SER A 6 -3.805 15.752 1.820 1.00 0.00 C ATOM 53 OG SER A 6 -3.368 15.738 0.464 1.00 0.00 O ATOM 0 H SER A 6 -1.186 16.654 2.134 1.00 0.00 H new ATOM 0 HA SER A 6 -3.145 15.133 3.754 1.00 0.00 H new ATOM 0 HB2 SER A 6 -4.649 15.071 1.936 1.00 0.00 H new ATOM 0 HB3 SER A 6 -4.163 16.749 2.075 1.00 0.00 H new ATOM 0 HG SER A 6 -4.109 15.999 -0.121 1.00 0.00 H new ATOM 59 N GLY A 7 -2.522 12.948 2.650 1.00 0.00 N ATOM 60 CA GLY A 7 -1.949 11.678 2.240 1.00 0.00 C ATOM 61 C GLY A 7 -1.131 11.055 3.373 1.00 0.00 C ATOM 62 O GLY A 7 -0.154 11.643 3.834 1.00 0.00 O ATOM 0 H GLY A 7 -3.357 12.872 3.231 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -2.745 10.995 1.943 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -1.314 11.826 1.367 1.00 0.00 H new ATOM 66 N LEU A 8 -1.560 9.872 3.789 1.00 0.00 N ATOM 67 CA LEU A 8 -0.880 9.163 4.859 1.00 0.00 C ATOM 68 C LEU A 8 -0.107 7.981 4.271 1.00 0.00 C ATOM 69 O LEU A 8 -0.427 7.505 3.183 1.00 0.00 O ATOM 70 CB LEU A 8 -1.872 8.765 5.954 1.00 0.00 C ATOM 71 CG LEU A 8 -1.766 7.327 6.465 1.00 0.00 C ATOM 72 CD1 LEU A 8 -2.328 7.206 7.883 1.00 0.00 C ATOM 73 CD2 LEU A 8 -2.438 6.351 5.497 1.00 0.00 C ATOM 0 H LEU A 8 -2.370 9.387 3.404 1.00 0.00 H new ATOM 0 HA LEU A 8 -0.151 9.813 5.343 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -1.740 9.440 6.799 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -2.882 8.922 5.576 1.00 0.00 H new ATOM 0 HG LEU A 8 -0.711 7.058 6.513 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -2.240 6.174 8.222 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -1.767 7.857 8.553 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -3.377 7.501 7.885 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -2.349 5.336 5.883 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -3.492 6.609 5.394 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -1.953 6.412 4.523 1.00 0.00 H new ATOM 85 N THR A 9 0.896 7.541 5.016 1.00 0.00 N ATOM 86 CA THR A 9 1.717 6.423 4.582 1.00 0.00 C ATOM 87 C THR A 9 1.618 5.269 5.581 1.00 0.00 C ATOM 88 O THR A 9 1.377 5.489 6.767 1.00 0.00 O ATOM 89 CB THR A 9 3.145 6.935 4.384 1.00 0.00 C ATOM 90 OG1 THR A 9 3.033 7.876 3.320 1.00 0.00 O ATOM 91 CG2 THR A 9 4.081 5.858 3.831 1.00 0.00 C ATOM 0 H THR A 9 1.159 7.938 5.918 1.00 0.00 H new ATOM 0 HA THR A 9 1.366 6.019 3.632 1.00 0.00 H new ATOM 0 HB THR A 9 3.534 7.302 5.334 1.00 0.00 H new ATOM 0 HG1 THR A 9 3.914 8.258 3.127 1.00 0.00 H new ATOM 0 HG21 THR A 9 5.081 6.273 3.709 1.00 0.00 H new ATOM 0 HG22 THR A 9 4.119 5.018 4.524 1.00 0.00 H new ATOM 0 HG23 THR A 9 3.710 5.515 2.865 1.00 0.00 H new ATOM 99 N VAL A 10 1.809 4.064 5.065 1.00 0.00 N ATOM 100 CA VAL A 10 1.745 2.874 5.897 1.00 0.00 C ATOM 101 C VAL A 10 3.113 2.190 5.908 1.00 0.00 C ATOM 102 O VAL A 10 3.904 2.361 4.982 1.00 0.00 O ATOM 103 CB VAL A 10 0.621 1.956 5.412 1.00 0.00 C ATOM 104 CG1 VAL A 10 0.828 1.562 3.949 1.00 0.00 C ATOM 105 CG2 VAL A 10 0.502 0.718 6.302 1.00 0.00 C ATOM 0 H VAL A 10 2.008 3.886 4.081 1.00 0.00 H new ATOM 0 HA VAL A 10 1.507 3.141 6.927 1.00 0.00 H new ATOM 0 HB VAL A 10 -0.316 2.509 5.480 1.00 0.00 H new ATOM 0 HG11 VAL A 10 0.015 0.910 3.629 1.00 0.00 H new ATOM 0 HG12 VAL A 10 0.839 2.458 3.329 1.00 0.00 H new ATOM 0 HG13 VAL A 10 1.777 1.037 3.844 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -0.304 0.082 5.935 1.00 0.00 H new ATOM 0 HG22 VAL A 10 1.440 0.163 6.281 1.00 0.00 H new ATOM 0 HG23 VAL A 10 0.285 1.025 7.325 1.00 0.00 H new ATOM 115 N ASP A 11 3.350 1.429 6.966 1.00 0.00 N ATOM 116 CA ASP A 11 4.609 0.717 7.110 1.00 0.00 C ATOM 117 C ASP A 11 4.327 -0.745 7.462 1.00 0.00 C ATOM 118 O ASP A 11 4.142 -1.081 8.631 1.00 0.00 O ATOM 119 CB ASP A 11 5.457 1.319 8.233 1.00 0.00 C ATOM 120 CG ASP A 11 4.660 1.927 9.389 1.00 0.00 C ATOM 121 OD1 ASP A 11 3.513 1.472 9.589 1.00 0.00 O ATOM 122 OD2 ASP A 11 5.217 2.833 10.046 1.00 0.00 O ATOM 0 H ASP A 11 2.691 1.290 7.732 1.00 0.00 H new ATOM 0 HA ASP A 11 5.150 0.796 6.167 1.00 0.00 H new ATOM 0 HB2 ASP A 11 6.111 0.543 8.631 1.00 0.00 H new ATOM 0 HB3 ASP A 11 6.100 2.090 7.809 1.00 0.00 H new ATOM 127 N VAL A 12 4.302 -1.574 6.429 1.00 0.00 N ATOM 128 CA VAL A 12 4.045 -2.993 6.615 1.00 0.00 C ATOM 129 C VAL A 12 5.337 -3.688 7.046 1.00 0.00 C ATOM 130 O VAL A 12 6.432 -3.204 6.762 1.00 0.00 O ATOM 131 CB VAL A 12 3.443 -3.586 5.340 1.00 0.00 C ATOM 132 CG1 VAL A 12 2.936 -5.009 5.584 1.00 0.00 C ATOM 133 CG2 VAL A 12 2.327 -2.693 4.792 1.00 0.00 C ATOM 0 H VAL A 12 4.455 -1.291 5.461 1.00 0.00 H new ATOM 0 HA VAL A 12 3.313 -3.149 7.407 1.00 0.00 H new ATOM 0 HB VAL A 12 4.232 -3.635 4.589 1.00 0.00 H new ATOM 0 HG11 VAL A 12 2.513 -5.408 4.662 1.00 0.00 H new ATOM 0 HG12 VAL A 12 3.764 -5.640 5.906 1.00 0.00 H new ATOM 0 HG13 VAL A 12 2.169 -4.994 6.358 1.00 0.00 H new ATOM 0 HG21 VAL A 12 1.917 -3.138 3.886 1.00 0.00 H new ATOM 0 HG22 VAL A 12 1.538 -2.597 5.538 1.00 0.00 H new ATOM 0 HG23 VAL A 12 2.730 -1.707 4.561 1.00 0.00 H new ATOM 143 N ALA A 13 5.168 -4.814 7.724 1.00 0.00 N ATOM 144 CA ALA A 13 6.308 -5.581 8.197 1.00 0.00 C ATOM 145 C ALA A 13 6.320 -6.946 7.507 1.00 0.00 C ATOM 146 O ALA A 13 5.601 -7.858 7.913 1.00 0.00 O ATOM 147 CB ALA A 13 6.247 -5.699 9.721 1.00 0.00 C ATOM 0 H ALA A 13 4.259 -5.213 7.957 1.00 0.00 H new ATOM 0 HA ALA A 13 7.241 -5.076 7.946 1.00 0.00 H new ATOM 0 HB1 ALA A 13 7.102 -6.274 10.076 1.00 0.00 H new ATOM 0 HB2 ALA A 13 6.270 -4.703 10.164 1.00 0.00 H new ATOM 0 HB3 ALA A 13 5.325 -6.203 10.010 1.00 0.00 H new ATOM 153 N GLY A 14 7.144 -7.045 6.474 1.00 0.00 N ATOM 154 CA GLY A 14 7.259 -8.283 5.724 1.00 0.00 C ATOM 155 C GLY A 14 7.600 -9.455 6.647 1.00 0.00 C ATOM 156 O GLY A 14 7.466 -9.349 7.865 1.00 0.00 O ATOM 0 H GLY A 14 7.739 -6.287 6.139 1.00 0.00 H new ATOM 0 HA2 GLY A 14 6.323 -8.486 5.204 1.00 0.00 H new ATOM 0 HA3 GLY A 14 8.031 -8.180 4.961 1.00 0.00 H new ATOM 160 N PRO A 15 8.046 -10.574 6.016 1.00 0.00 N ATOM 161 CA PRO A 15 8.175 -10.615 4.569 1.00 0.00 C ATOM 162 C PRO A 15 6.805 -10.741 3.900 1.00 0.00 C ATOM 163 O PRO A 15 5.778 -10.485 4.526 1.00 0.00 O ATOM 164 CB PRO A 15 9.085 -11.801 4.290 1.00 0.00 C ATOM 165 CG PRO A 15 9.055 -12.655 5.547 1.00 0.00 C ATOM 166 CD PRO A 15 8.437 -11.824 6.660 1.00 0.00 C ATOM 0 HA PRO A 15 8.599 -9.699 4.157 1.00 0.00 H new ATOM 0 HB2 PRO A 15 8.736 -12.366 3.426 1.00 0.00 H new ATOM 0 HB3 PRO A 15 10.099 -11.471 4.066 1.00 0.00 H new ATOM 0 HG2 PRO A 15 8.473 -13.561 5.379 1.00 0.00 H new ATOM 0 HG3 PRO A 15 10.063 -12.969 5.819 1.00 0.00 H new ATOM 0 HD2 PRO A 15 7.577 -12.329 7.100 1.00 0.00 H new ATOM 0 HD3 PRO A 15 9.150 -11.648 7.466 1.00 0.00 H new ATOM 174 N ALA A 16 6.834 -11.136 2.635 1.00 0.00 N ATOM 175 CA ALA A 16 5.608 -11.300 1.874 1.00 0.00 C ATOM 176 C ALA A 16 5.144 -12.755 1.968 1.00 0.00 C ATOM 177 O ALA A 16 5.900 -13.625 2.396 1.00 0.00 O ATOM 178 CB ALA A 16 5.840 -10.855 0.429 1.00 0.00 C ATOM 0 H ALA A 16 7.688 -11.347 2.119 1.00 0.00 H new ATOM 0 HA ALA A 16 4.816 -10.674 2.285 1.00 0.00 H new ATOM 0 HB1 ALA A 16 4.920 -10.978 -0.142 1.00 0.00 H new ATOM 0 HB2 ALA A 16 6.138 -9.807 0.415 1.00 0.00 H new ATOM 0 HB3 ALA A 16 6.628 -11.463 -0.017 1.00 0.00 H new ATOM 184 N PRO A 17 3.869 -12.980 1.551 1.00 0.00 N ATOM 185 CA PRO A 17 3.040 -11.893 1.058 1.00 0.00 C ATOM 186 C PRO A 17 2.545 -11.015 2.210 1.00 0.00 C ATOM 187 O PRO A 17 2.697 -11.373 3.377 1.00 0.00 O ATOM 188 CB PRO A 17 1.911 -12.572 0.301 1.00 0.00 C ATOM 189 CG PRO A 17 1.889 -14.012 0.787 1.00 0.00 C ATOM 190 CD PRO A 17 3.186 -14.270 1.537 1.00 0.00 C ATOM 0 HA PRO A 17 3.585 -11.210 0.406 1.00 0.00 H new ATOM 0 HB2 PRO A 17 0.958 -12.079 0.496 1.00 0.00 H new ATOM 0 HB3 PRO A 17 2.079 -12.526 -0.775 1.00 0.00 H new ATOM 0 HG2 PRO A 17 1.031 -14.182 1.438 1.00 0.00 H new ATOM 0 HG3 PRO A 17 1.792 -14.698 -0.055 1.00 0.00 H new ATOM 0 HD2 PRO A 17 2.994 -14.627 2.549 1.00 0.00 H new ATOM 0 HD3 PRO A 17 3.787 -15.031 1.039 1.00 0.00 H new ATOM 198 N TRP A 18 1.962 -9.884 1.841 1.00 0.00 N ATOM 199 CA TRP A 18 1.444 -8.953 2.828 1.00 0.00 C ATOM 200 C TRP A 18 0.087 -9.476 3.305 1.00 0.00 C ATOM 201 O TRP A 18 -0.069 -9.834 4.471 1.00 0.00 O ATOM 202 CB TRP A 18 1.372 -7.534 2.260 1.00 0.00 C ATOM 203 CG TRP A 18 2.590 -7.136 1.423 1.00 0.00 C ATOM 204 CD1 TRP A 18 2.665 -6.990 0.093 1.00 0.00 C ATOM 205 CD2 TRP A 18 3.912 -6.837 1.918 1.00 0.00 C ATOM 206 NE1 TRP A 18 3.934 -6.620 -0.304 1.00 0.00 N ATOM 207 CE2 TRP A 18 4.716 -6.525 0.841 1.00 0.00 C ATOM 208 CE3 TRP A 18 4.412 -6.832 3.232 1.00 0.00 C ATOM 209 CZ2 TRP A 18 6.068 -6.183 0.968 1.00 0.00 C ATOM 210 CZ3 TRP A 18 5.765 -6.488 3.342 1.00 0.00 C ATOM 211 CH2 TRP A 18 6.588 -6.171 2.268 1.00 0.00 C ATOM 0 H TRP A 18 1.837 -9.592 0.872 1.00 0.00 H new ATOM 0 HA TRP A 18 2.114 -8.889 3.686 1.00 0.00 H new ATOM 0 HB2 TRP A 18 0.477 -7.445 1.645 1.00 0.00 H new ATOM 0 HB3 TRP A 18 1.264 -6.829 3.084 1.00 0.00 H new ATOM 0 HD1 TRP A 18 1.837 -7.143 -0.583 1.00 0.00 H new ATOM 0 HE1 TRP A 18 4.241 -6.448 -1.261 1.00 0.00 H new ATOM 0 HE3 TRP A 18 3.801 -7.074 4.089 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 6.677 -5.941 0.109 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 6.199 -6.468 4.331 1.00 0.00 H new ATOM 0 HH2 TRP A 18 7.624 -5.916 2.435 1.00 0.00 H new ATOM 222 N GLY A 19 -0.859 -9.502 2.378 1.00 0.00 N ATOM 223 CA GLY A 19 -2.198 -9.975 2.689 1.00 0.00 C ATOM 224 C GLY A 19 -3.248 -8.921 2.334 1.00 0.00 C ATOM 225 O GLY A 19 -4.227 -8.747 3.058 1.00 0.00 O ATOM 0 H GLY A 19 -0.725 -9.204 1.412 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -2.400 -10.894 2.139 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -2.265 -10.217 3.750 1.00 0.00 H new ATOM 229 N PHE A 20 -3.009 -8.245 1.220 1.00 0.00 N ATOM 230 CA PHE A 20 -3.922 -7.212 0.761 1.00 0.00 C ATOM 231 C PHE A 20 -3.990 -7.181 -0.768 1.00 0.00 C ATOM 232 O PHE A 20 -2.992 -7.428 -1.443 1.00 0.00 O ATOM 233 CB PHE A 20 -3.373 -5.875 1.262 1.00 0.00 C ATOM 234 CG PHE A 20 -2.110 -5.409 0.535 1.00 0.00 C ATOM 235 CD1 PHE A 20 -2.202 -4.857 -0.704 1.00 0.00 C ATOM 236 CD2 PHE A 20 -0.894 -5.547 1.129 1.00 0.00 C ATOM 237 CE1 PHE A 20 -1.030 -4.424 -1.379 1.00 0.00 C ATOM 238 CE2 PHE A 20 0.279 -5.115 0.454 1.00 0.00 C ATOM 239 CZ PHE A 20 0.186 -4.563 -0.785 1.00 0.00 C ATOM 0 H PHE A 20 -2.196 -8.392 0.622 1.00 0.00 H new ATOM 0 HA PHE A 20 -4.925 -7.407 1.139 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -4.145 -5.113 1.153 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -3.157 -5.959 2.327 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -3.167 -4.748 -1.175 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -0.820 -5.985 2.114 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -1.104 -3.985 -2.363 1.00 0.00 H new ATOM 0 HE2 PHE A 20 1.245 -5.225 0.925 1.00 0.00 H new ATOM 0 HZ PHE A 20 1.078 -4.235 -1.298 1.00 0.00 H new ATOM 249 N ARG A 21 -5.179 -6.876 -1.268 1.00 0.00 N ATOM 250 CA ARG A 21 -5.391 -6.810 -2.704 1.00 0.00 C ATOM 251 C ARG A 21 -5.398 -5.354 -3.173 1.00 0.00 C ATOM 252 O ARG A 21 -5.196 -4.440 -2.375 1.00 0.00 O ATOM 253 CB ARG A 21 -6.713 -7.472 -3.097 1.00 0.00 C ATOM 254 CG ARG A 21 -6.663 -8.982 -2.857 1.00 0.00 C ATOM 255 CD ARG A 21 -8.053 -9.531 -2.529 1.00 0.00 C ATOM 256 NE ARG A 21 -7.935 -10.713 -1.646 1.00 0.00 N ATOM 257 CZ ARG A 21 -8.950 -11.539 -1.357 1.00 0.00 C ATOM 258 NH1 ARG A 21 -10.164 -11.318 -1.879 1.00 0.00 N ATOM 259 NH2 ARG A 21 -8.751 -12.587 -0.546 1.00 0.00 N ATOM 0 H ARG A 21 -6.005 -6.672 -0.705 1.00 0.00 H new ATOM 0 HA ARG A 21 -4.573 -7.346 -3.185 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -7.528 -7.035 -2.520 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -6.925 -7.274 -4.148 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -6.270 -9.482 -3.742 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -5.979 -9.201 -2.037 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -8.651 -8.761 -2.042 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -8.572 -9.804 -3.448 1.00 0.00 H new ATOM 0 HE ARG A 21 -7.024 -10.911 -1.232 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -10.316 -10.521 -2.497 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -10.936 -11.947 -1.659 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -7.827 -12.756 -0.149 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -9.524 -13.216 -0.326 1.00 0.00 H new ATOM 273 N ILE A 22 -5.633 -5.183 -4.466 1.00 0.00 N ATOM 274 CA ILE A 22 -5.670 -3.853 -5.050 1.00 0.00 C ATOM 275 C ILE A 22 -6.543 -3.876 -6.307 1.00 0.00 C ATOM 276 O ILE A 22 -6.995 -4.938 -6.733 1.00 0.00 O ATOM 277 CB ILE A 22 -4.251 -3.337 -5.297 1.00 0.00 C ATOM 278 CG1 ILE A 22 -3.527 -4.199 -6.334 1.00 0.00 C ATOM 279 CG2 ILE A 22 -3.467 -3.238 -3.987 1.00 0.00 C ATOM 280 CD1 ILE A 22 -2.498 -3.375 -7.110 1.00 0.00 C ATOM 0 H ILE A 22 -5.800 -5.943 -5.125 1.00 0.00 H new ATOM 0 HA ILE A 22 -6.126 -3.146 -4.357 1.00 0.00 H new ATOM 0 HB ILE A 22 -4.321 -2.330 -5.707 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -3.031 -5.032 -5.837 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -4.252 -4.627 -7.026 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -2.462 -2.869 -4.191 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -3.975 -2.551 -3.310 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -3.405 -4.223 -3.525 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -1.998 -4.011 -7.840 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -3.001 -2.557 -7.626 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -1.761 -2.968 -6.418 1.00 0.00 H new ATOM 292 N SER A 23 -6.753 -2.693 -6.865 1.00 0.00 N ATOM 293 CA SER A 23 -7.564 -2.565 -8.063 1.00 0.00 C ATOM 294 C SER A 23 -7.114 -1.346 -8.872 1.00 0.00 C ATOM 295 O SER A 23 -6.222 -0.612 -8.450 1.00 0.00 O ATOM 296 CB SER A 23 -9.049 -2.451 -7.714 1.00 0.00 C ATOM 297 OG SER A 23 -9.858 -3.281 -8.544 1.00 0.00 O ATOM 0 H SER A 23 -6.375 -1.815 -6.509 1.00 0.00 H new ATOM 0 HA SER A 23 -7.428 -3.463 -8.665 1.00 0.00 H new ATOM 0 HB2 SER A 23 -9.198 -2.727 -6.670 1.00 0.00 H new ATOM 0 HB3 SER A 23 -9.367 -1.414 -7.818 1.00 0.00 H new ATOM 0 HG SER A 23 -10.799 -3.181 -8.289 1.00 0.00 H new ATOM 303 N GLY A 24 -7.752 -1.168 -10.019 1.00 0.00 N ATOM 304 CA GLY A 24 -7.428 -0.051 -10.890 1.00 0.00 C ATOM 305 C GLY A 24 -5.992 -0.158 -11.408 1.00 0.00 C ATOM 306 O GLY A 24 -5.499 -1.257 -11.657 1.00 0.00 O ATOM 0 H GLY A 24 -8.492 -1.779 -10.366 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -8.121 -0.028 -11.731 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -7.554 0.886 -10.348 1.00 0.00 H new ATOM 310 N GLY A 25 -5.363 0.999 -11.554 1.00 0.00 N ATOM 311 CA GLY A 25 -3.994 1.049 -12.038 1.00 0.00 C ATOM 312 C GLY A 25 -3.923 1.707 -13.418 1.00 0.00 C ATOM 313 O GLY A 25 -4.910 1.724 -14.152 1.00 0.00 O ATOM 0 H GLY A 25 -5.776 1.908 -11.346 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -3.376 1.606 -11.334 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -3.586 0.039 -12.091 1.00 0.00 H new ATOM 317 N ARG A 26 -2.747 2.232 -13.729 1.00 0.00 N ATOM 318 CA ARG A 26 -2.535 2.889 -15.007 1.00 0.00 C ATOM 319 C ARG A 26 -3.253 2.125 -16.122 1.00 0.00 C ATOM 320 O ARG A 26 -3.770 2.729 -17.060 1.00 0.00 O ATOM 321 CB ARG A 26 -1.045 2.980 -15.339 1.00 0.00 C ATOM 322 CG ARG A 26 -0.826 3.631 -16.707 1.00 0.00 C ATOM 323 CD ARG A 26 -0.487 5.115 -16.560 1.00 0.00 C ATOM 324 NE ARG A 26 -1.671 5.860 -16.076 1.00 0.00 N ATOM 325 CZ ARG A 26 -2.762 6.098 -16.817 1.00 0.00 C ATOM 326 NH1 ARG A 26 -2.826 5.653 -18.079 1.00 0.00 N ATOM 327 NH2 ARG A 26 -3.790 6.783 -16.295 1.00 0.00 N ATOM 0 H ARG A 26 -1.931 2.216 -13.117 1.00 0.00 H new ATOM 0 HA ARG A 26 -2.941 3.898 -14.933 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -0.532 3.559 -14.571 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -0.606 1.982 -15.333 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -0.019 3.120 -17.232 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -1.723 3.518 -17.315 1.00 0.00 H new ATOM 0 HD2 ARG A 26 0.341 5.240 -15.863 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -0.160 5.518 -17.518 1.00 0.00 H new ATOM 0 HE ARG A 26 -1.656 6.214 -15.120 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -2.044 5.133 -18.477 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -3.657 5.835 -18.642 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -3.741 7.123 -15.334 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -4.621 6.964 -16.859 1.00 0.00 H new ATOM 341 N ASP A 27 -3.261 0.807 -15.982 1.00 0.00 N ATOM 342 CA ASP A 27 -3.907 -0.046 -16.966 1.00 0.00 C ATOM 343 C ASP A 27 -5.364 0.391 -17.135 1.00 0.00 C ATOM 344 O ASP A 27 -5.788 0.735 -18.237 1.00 0.00 O ATOM 345 CB ASP A 27 -3.901 -1.508 -16.516 1.00 0.00 C ATOM 346 CG ASP A 27 -3.586 -2.522 -17.617 1.00 0.00 C ATOM 347 OD1 ASP A 27 -3.693 -2.129 -18.798 1.00 0.00 O ATOM 348 OD2 ASP A 27 -3.246 -3.668 -17.252 1.00 0.00 O ATOM 0 H ASP A 27 -2.831 0.309 -15.203 1.00 0.00 H new ATOM 0 HA ASP A 27 -3.358 0.045 -17.903 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -3.169 -1.623 -15.716 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -4.877 -1.746 -16.092 1.00 0.00 H new ATOM 353 N PHE A 28 -6.089 0.363 -16.027 1.00 0.00 N ATOM 354 CA PHE A 28 -7.489 0.751 -16.039 1.00 0.00 C ATOM 355 C PHE A 28 -7.639 2.267 -15.896 1.00 0.00 C ATOM 356 O PHE A 28 -8.736 2.766 -15.651 1.00 0.00 O ATOM 357 CB PHE A 28 -8.153 0.070 -14.841 1.00 0.00 C ATOM 358 CG PHE A 28 -8.206 -1.456 -14.943 1.00 0.00 C ATOM 359 CD1 PHE A 28 -9.126 -2.052 -15.748 1.00 0.00 C ATOM 360 CD2 PHE A 28 -7.333 -2.216 -14.229 1.00 0.00 C ATOM 361 CE1 PHE A 28 -9.175 -3.468 -15.843 1.00 0.00 C ATOM 362 CE2 PHE A 28 -7.382 -3.632 -14.324 1.00 0.00 C ATOM 363 CZ PHE A 28 -8.302 -4.228 -15.129 1.00 0.00 C ATOM 0 H PHE A 28 -5.733 0.078 -15.115 1.00 0.00 H new ATOM 0 HA PHE A 28 -7.949 0.454 -16.982 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -7.613 0.345 -13.935 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -9.168 0.452 -14.736 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -9.819 -1.448 -16.315 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -6.602 -1.743 -13.590 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -9.906 -3.941 -16.482 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -6.689 -4.236 -13.757 1.00 0.00 H new ATOM 0 HZ PHE A 28 -8.339 -5.305 -15.201 1.00 0.00 H new ATOM 373 N HIS A 29 -6.519 2.958 -16.056 1.00 0.00 N ATOM 374 CA HIS A 29 -6.512 4.407 -15.947 1.00 0.00 C ATOM 375 C HIS A 29 -7.142 4.825 -14.617 1.00 0.00 C ATOM 376 O HIS A 29 -7.734 5.899 -14.517 1.00 0.00 O ATOM 377 CB HIS A 29 -7.199 5.045 -17.156 1.00 0.00 C ATOM 378 CG HIS A 29 -6.430 4.901 -18.447 1.00 0.00 C ATOM 379 ND1 HIS A 29 -6.376 5.900 -19.404 1.00 0.00 N ATOM 380 CD2 HIS A 29 -5.683 3.866 -18.929 1.00 0.00 C ATOM 381 CE1 HIS A 29 -5.629 5.474 -20.412 1.00 0.00 C ATOM 382 NE2 HIS A 29 -5.201 4.213 -20.116 1.00 0.00 N ATOM 0 H HIS A 29 -5.611 2.541 -16.260 1.00 0.00 H new ATOM 0 HA HIS A 29 -5.485 4.771 -15.952 1.00 0.00 H new ATOM 0 HB2 HIS A 29 -8.184 4.595 -17.280 1.00 0.00 H new ATOM 0 HB3 HIS A 29 -7.355 6.105 -16.955 1.00 0.00 H new ATOM 0 HD2 HIS A 29 -5.513 2.924 -18.429 1.00 0.00 H new ATOM 0 HE1 HIS A 29 -5.399 6.028 -21.310 1.00 0.00 H new ATOM 0 HE2 HIS A 29 -4.608 3.632 -20.709 1.00 0.00 H new ATOM 390 N THR A 30 -6.994 3.955 -13.629 1.00 0.00 N ATOM 391 CA THR A 30 -7.541 4.221 -12.310 1.00 0.00 C ATOM 392 C THR A 30 -6.443 4.129 -11.249 1.00 0.00 C ATOM 393 O THR A 30 -5.404 3.511 -11.477 1.00 0.00 O ATOM 394 CB THR A 30 -8.698 3.248 -12.073 1.00 0.00 C ATOM 395 OG1 THR A 30 -8.287 2.053 -12.733 1.00 0.00 O ATOM 396 CG2 THR A 30 -9.972 3.662 -12.811 1.00 0.00 C ATOM 0 H THR A 30 -6.503 3.065 -13.716 1.00 0.00 H new ATOM 0 HA THR A 30 -7.932 5.236 -12.241 1.00 0.00 H new ATOM 0 HB THR A 30 -8.903 3.182 -11.005 1.00 0.00 H new ATOM 0 HG1 THR A 30 -9.042 1.430 -12.781 1.00 0.00 H new ATOM 0 HG21 THR A 30 -10.761 2.938 -12.609 1.00 0.00 H new ATOM 0 HG22 THR A 30 -10.287 4.648 -12.468 1.00 0.00 H new ATOM 0 HG23 THR A 30 -9.777 3.696 -13.883 1.00 0.00 H new ATOM 404 N PRO A 31 -6.717 4.771 -10.081 1.00 0.00 N ATOM 405 CA PRO A 31 -5.764 4.768 -8.984 1.00 0.00 C ATOM 406 C PRO A 31 -5.748 3.412 -8.275 1.00 0.00 C ATOM 407 O PRO A 31 -6.788 2.772 -8.129 1.00 0.00 O ATOM 408 CB PRO A 31 -6.204 5.906 -8.078 1.00 0.00 C ATOM 409 CG PRO A 31 -7.646 6.205 -8.453 1.00 0.00 C ATOM 410 CD PRO A 31 -7.936 5.513 -9.776 1.00 0.00 C ATOM 0 HA PRO A 31 -4.737 4.917 -9.318 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -6.124 5.623 -7.029 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -5.574 6.784 -8.220 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -8.324 5.847 -7.678 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -7.802 7.280 -8.542 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -8.795 4.847 -9.695 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -8.166 6.236 -10.559 1.00 0.00 H new ATOM 418 N ILE A 32 -4.557 3.014 -7.854 1.00 0.00 N ATOM 419 CA ILE A 32 -4.392 1.746 -7.165 1.00 0.00 C ATOM 420 C ILE A 32 -5.116 1.805 -5.818 1.00 0.00 C ATOM 421 O ILE A 32 -4.608 2.385 -4.860 1.00 0.00 O ATOM 422 CB ILE A 32 -2.909 1.387 -7.050 1.00 0.00 C ATOM 423 CG1 ILE A 32 -2.238 1.380 -8.425 1.00 0.00 C ATOM 424 CG2 ILE A 32 -2.721 0.059 -6.314 1.00 0.00 C ATOM 425 CD1 ILE A 32 -2.343 0.001 -9.079 1.00 0.00 C ATOM 0 H ILE A 32 -3.696 3.548 -7.977 1.00 0.00 H new ATOM 0 HA ILE A 32 -4.848 0.939 -7.738 1.00 0.00 H new ATOM 0 HB ILE A 32 -2.417 2.157 -6.455 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -2.706 2.127 -9.066 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -1.189 1.659 -8.323 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -1.658 -0.172 -6.246 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -3.140 0.137 -5.311 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -3.231 -0.735 -6.860 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -1.858 0.023 -10.055 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -1.853 -0.740 -8.447 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -3.393 -0.265 -9.201 1.00 0.00 H new ATOM 437 N ILE A 33 -6.293 1.196 -5.789 1.00 0.00 N ATOM 438 CA ILE A 33 -7.092 1.171 -4.576 1.00 0.00 C ATOM 439 C ILE A 33 -7.104 -0.249 -4.006 1.00 0.00 C ATOM 440 O ILE A 33 -7.073 -1.223 -4.757 1.00 0.00 O ATOM 441 CB ILE A 33 -8.488 1.738 -4.842 1.00 0.00 C ATOM 442 CG1 ILE A 33 -8.425 3.241 -5.122 1.00 0.00 C ATOM 443 CG2 ILE A 33 -9.442 1.409 -3.693 1.00 0.00 C ATOM 444 CD1 ILE A 33 -9.191 3.594 -6.398 1.00 0.00 C ATOM 0 H ILE A 33 -6.712 0.717 -6.586 1.00 0.00 H new ATOM 0 HA ILE A 33 -6.650 1.816 -3.816 1.00 0.00 H new ATOM 0 HB ILE A 33 -8.886 1.260 -5.737 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -8.844 3.789 -4.279 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -7.385 3.553 -5.220 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -10.427 1.824 -3.908 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -9.520 0.327 -3.583 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -9.060 1.841 -2.768 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -9.130 4.668 -6.574 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -8.754 3.063 -7.243 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -10.236 3.303 -6.288 1.00 0.00 H new ATOM 456 N VAL A 34 -7.149 -0.322 -2.684 1.00 0.00 N ATOM 457 CA VAL A 34 -7.165 -1.606 -2.005 1.00 0.00 C ATOM 458 C VAL A 34 -8.599 -2.138 -1.964 1.00 0.00 C ATOM 459 O VAL A 34 -9.501 -1.464 -1.469 1.00 0.00 O ATOM 460 CB VAL A 34 -6.537 -1.472 -0.616 1.00 0.00 C ATOM 461 CG1 VAL A 34 -6.679 -2.773 0.177 1.00 0.00 C ATOM 462 CG2 VAL A 34 -5.071 -1.048 -0.716 1.00 0.00 C ATOM 0 H VAL A 34 -7.175 0.488 -2.065 1.00 0.00 H new ATOM 0 HA VAL A 34 -6.563 -2.334 -2.550 1.00 0.00 H new ATOM 0 HB VAL A 34 -7.075 -0.691 -0.078 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -6.225 -2.651 1.160 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -7.735 -3.015 0.293 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -6.178 -3.581 -0.357 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -4.649 -0.960 0.285 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -4.514 -1.795 -1.281 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -5.004 -0.086 -1.224 1.00 0.00 H new ATOM 472 N THR A 35 -8.765 -3.343 -2.491 1.00 0.00 N ATOM 473 CA THR A 35 -10.074 -3.973 -2.521 1.00 0.00 C ATOM 474 C THR A 35 -10.403 -4.582 -1.157 1.00 0.00 C ATOM 475 O THR A 35 -11.422 -4.248 -0.553 1.00 0.00 O ATOM 476 CB THR A 35 -10.081 -4.994 -3.660 1.00 0.00 C ATOM 477 OG1 THR A 35 -8.796 -5.605 -3.587 1.00 0.00 O ATOM 478 CG2 THR A 35 -10.101 -4.332 -5.040 1.00 0.00 C ATOM 0 H THR A 35 -8.014 -3.899 -2.900 1.00 0.00 H new ATOM 0 HA THR A 35 -10.860 -3.243 -2.715 1.00 0.00 H new ATOM 0 HB THR A 35 -10.949 -5.646 -3.557 1.00 0.00 H new ATOM 0 HG1 THR A 35 -8.449 -5.747 -4.493 1.00 0.00 H new ATOM 0 HG21 THR A 35 -10.105 -5.101 -5.812 1.00 0.00 H new ATOM 0 HG22 THR A 35 -10.996 -3.717 -5.135 1.00 0.00 H new ATOM 0 HG23 THR A 35 -9.216 -3.706 -5.156 1.00 0.00 H new ATOM 486 N LYS A 36 -9.522 -5.466 -0.711 1.00 0.00 N ATOM 487 CA LYS A 36 -9.707 -6.125 0.571 1.00 0.00 C ATOM 488 C LYS A 36 -8.339 -6.460 1.169 1.00 0.00 C ATOM 489 O LYS A 36 -7.399 -6.771 0.440 1.00 0.00 O ATOM 490 CB LYS A 36 -10.628 -7.338 0.422 1.00 0.00 C ATOM 491 CG LYS A 36 -11.937 -7.129 1.185 1.00 0.00 C ATOM 492 CD LYS A 36 -12.595 -8.468 1.522 1.00 0.00 C ATOM 493 CE LYS A 36 -13.871 -8.262 2.341 1.00 0.00 C ATOM 494 NZ LYS A 36 -13.624 -8.566 3.769 1.00 0.00 N ATOM 0 H LYS A 36 -8.679 -5.741 -1.214 1.00 0.00 H new ATOM 0 HA LYS A 36 -10.208 -5.459 1.274 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -10.841 -7.510 -0.633 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -10.124 -8.230 0.795 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -11.742 -6.574 2.103 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -12.619 -6.525 0.586 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -12.832 -9.003 0.602 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -11.896 -9.090 2.081 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -14.216 -7.233 2.236 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -14.664 -8.904 1.958 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -14.500 -8.421 4.311 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -13.316 -9.555 3.865 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -12.882 -7.936 4.135 1.00 0.00 H new ATOM 508 N VAL A 37 -8.272 -6.387 2.490 1.00 0.00 N ATOM 509 CA VAL A 37 -7.035 -6.679 3.194 1.00 0.00 C ATOM 510 C VAL A 37 -7.292 -7.769 4.236 1.00 0.00 C ATOM 511 O VAL A 37 -8.223 -7.664 5.033 1.00 0.00 O ATOM 512 CB VAL A 37 -6.462 -5.396 3.799 1.00 0.00 C ATOM 513 CG1 VAL A 37 -6.798 -4.182 2.931 1.00 0.00 C ATOM 514 CG2 VAL A 37 -6.956 -5.198 5.234 1.00 0.00 C ATOM 0 H VAL A 37 -9.055 -6.130 3.092 1.00 0.00 H new ATOM 0 HA VAL A 37 -6.283 -7.060 2.503 1.00 0.00 H new ATOM 0 HB VAL A 37 -5.377 -5.496 3.829 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -6.379 -3.284 3.384 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -6.375 -4.318 1.936 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -7.880 -4.078 2.854 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -6.534 -4.279 5.641 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -8.044 -5.131 5.238 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -6.642 -6.043 5.847 1.00 0.00 H new ATOM 524 N THR A 38 -6.450 -8.791 4.197 1.00 0.00 N ATOM 525 CA THR A 38 -6.574 -9.900 5.128 1.00 0.00 C ATOM 526 C THR A 38 -6.676 -9.381 6.564 1.00 0.00 C ATOM 527 O THR A 38 -5.701 -8.874 7.116 1.00 0.00 O ATOM 528 CB THR A 38 -5.388 -10.840 4.905 1.00 0.00 C ATOM 529 OG1 THR A 38 -5.455 -11.160 3.518 1.00 0.00 O ATOM 530 CG2 THR A 38 -5.568 -12.187 5.608 1.00 0.00 C ATOM 0 H THR A 38 -5.679 -8.875 3.535 1.00 0.00 H new ATOM 0 HA THR A 38 -7.491 -10.463 4.953 1.00 0.00 H new ATOM 0 HB THR A 38 -4.475 -10.364 5.262 1.00 0.00 H new ATOM 0 HG1 THR A 38 -5.004 -10.462 2.999 1.00 0.00 H new ATOM 0 HG21 THR A 38 -4.698 -12.816 5.417 1.00 0.00 H new ATOM 0 HG22 THR A 38 -5.671 -12.026 6.681 1.00 0.00 H new ATOM 0 HG23 THR A 38 -6.463 -12.680 5.227 1.00 0.00 H new ATOM 538 N GLU A 39 -7.867 -9.526 7.128 1.00 0.00 N ATOM 539 CA GLU A 39 -8.109 -9.078 8.489 1.00 0.00 C ATOM 540 C GLU A 39 -7.088 -9.701 9.442 1.00 0.00 C ATOM 541 O GLU A 39 -6.540 -10.766 9.162 1.00 0.00 O ATOM 542 CB GLU A 39 -9.538 -9.405 8.927 1.00 0.00 C ATOM 543 CG GLU A 39 -9.880 -8.708 10.245 1.00 0.00 C ATOM 544 CD GLU A 39 -11.393 -8.536 10.398 1.00 0.00 C ATOM 545 OE1 GLU A 39 -11.971 -7.821 9.552 1.00 0.00 O ATOM 546 OE2 GLU A 39 -11.937 -9.124 11.358 1.00 0.00 O ATOM 0 H GLU A 39 -8.674 -9.947 6.667 1.00 0.00 H new ATOM 0 HA GLU A 39 -7.993 -7.995 8.521 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -10.240 -9.093 8.154 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -9.649 -10.483 9.042 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -9.490 -9.290 11.080 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -9.394 -7.733 10.282 1.00 0.00 H new ATOM 553 N ARG A 40 -6.862 -9.010 10.550 1.00 0.00 N ATOM 554 CA ARG A 40 -5.916 -9.481 11.547 1.00 0.00 C ATOM 555 C ARG A 40 -4.662 -10.036 10.868 1.00 0.00 C ATOM 556 O ARG A 40 -4.012 -10.937 11.396 1.00 0.00 O ATOM 557 CB ARG A 40 -6.537 -10.571 12.424 1.00 0.00 C ATOM 558 CG ARG A 40 -7.813 -10.067 13.101 1.00 0.00 C ATOM 559 CD ARG A 40 -7.594 -9.868 14.603 1.00 0.00 C ATOM 560 NE ARG A 40 -7.758 -8.439 14.953 1.00 0.00 N ATOM 561 CZ ARG A 40 -7.454 -7.919 16.149 1.00 0.00 C ATOM 562 NH1 ARG A 40 -6.967 -8.707 17.118 1.00 0.00 N ATOM 563 NH2 ARG A 40 -7.635 -6.612 16.378 1.00 0.00 N ATOM 0 H ARG A 40 -7.318 -8.127 10.779 1.00 0.00 H new ATOM 0 HA ARG A 40 -5.648 -8.633 12.177 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -6.765 -11.447 11.816 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -5.819 -10.887 13.181 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -8.123 -9.126 12.647 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -8.621 -10.780 12.939 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -8.305 -10.473 15.166 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -6.596 -10.207 14.882 1.00 0.00 H new ATOM 0 HE ARG A 40 -8.126 -7.811 14.238 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -6.828 -9.702 16.944 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -6.735 -8.311 18.029 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -8.005 -6.012 15.641 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -7.403 -6.217 17.289 1.00 0.00 H new ATOM 577 N GLY A 41 -4.360 -9.475 9.706 1.00 0.00 N ATOM 578 CA GLY A 41 -3.195 -9.903 8.949 1.00 0.00 C ATOM 579 C GLY A 41 -2.048 -8.901 9.096 1.00 0.00 C ATOM 580 O GLY A 41 -2.009 -8.134 10.057 1.00 0.00 O ATOM 0 H GLY A 41 -4.901 -8.728 9.270 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -2.872 -10.885 9.296 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -3.459 -10.008 7.897 1.00 0.00 H new ATOM 584 N LYS A 42 -1.142 -8.942 8.130 1.00 0.00 N ATOM 585 CA LYS A 42 0.003 -8.048 8.140 1.00 0.00 C ATOM 586 C LYS A 42 -0.451 -6.639 7.751 1.00 0.00 C ATOM 587 O LYS A 42 -0.286 -5.695 8.522 1.00 0.00 O ATOM 588 CB LYS A 42 1.122 -8.600 7.254 1.00 0.00 C ATOM 589 CG LYS A 42 1.804 -9.799 7.916 1.00 0.00 C ATOM 590 CD LYS A 42 3.321 -9.738 7.731 1.00 0.00 C ATOM 591 CE LYS A 42 3.766 -10.606 6.552 1.00 0.00 C ATOM 592 NZ LYS A 42 3.455 -9.937 5.269 1.00 0.00 N ATOM 0 H LYS A 42 -1.178 -9.580 7.335 1.00 0.00 H new ATOM 0 HA LYS A 42 0.425 -7.982 9.143 1.00 0.00 H new ATOM 0 HB2 LYS A 42 0.713 -8.897 6.288 1.00 0.00 H new ATOM 0 HB3 LYS A 42 1.858 -7.819 7.062 1.00 0.00 H new ATOM 0 HG2 LYS A 42 1.564 -9.817 8.979 1.00 0.00 H new ATOM 0 HG3 LYS A 42 1.419 -10.724 7.487 1.00 0.00 H new ATOM 0 HD2 LYS A 42 3.629 -8.706 7.564 1.00 0.00 H new ATOM 0 HD3 LYS A 42 3.816 -10.075 8.642 1.00 0.00 H new ATOM 0 HE2 LYS A 42 4.837 -10.798 6.618 1.00 0.00 H new ATOM 0 HE3 LYS A 42 3.265 -11.573 6.595 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 2.811 -10.535 4.713 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 3.001 -9.020 5.457 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 4.334 -9.785 4.735 1.00 0.00 H new ATOM 606 N ALA A 43 -1.014 -6.543 6.556 1.00 0.00 N ATOM 607 CA ALA A 43 -1.494 -5.266 6.055 1.00 0.00 C ATOM 608 C ALA A 43 -2.243 -4.535 7.171 1.00 0.00 C ATOM 609 O ALA A 43 -1.854 -3.438 7.569 1.00 0.00 O ATOM 610 CB ALA A 43 -2.367 -5.498 4.820 1.00 0.00 C ATOM 0 H ALA A 43 -1.149 -7.329 5.920 1.00 0.00 H new ATOM 0 HA ALA A 43 -0.660 -4.634 5.750 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -2.727 -4.540 4.444 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -1.780 -5.994 4.047 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -3.217 -6.126 5.088 1.00 0.00 H new ATOM 616 N GLU A 44 -3.305 -5.171 7.643 1.00 0.00 N ATOM 617 CA GLU A 44 -4.112 -4.595 8.705 1.00 0.00 C ATOM 618 C GLU A 44 -3.253 -4.339 9.945 1.00 0.00 C ATOM 619 O GLU A 44 -3.313 -3.261 10.535 1.00 0.00 O ATOM 620 CB GLU A 44 -5.303 -5.495 9.038 1.00 0.00 C ATOM 621 CG GLU A 44 -6.152 -4.888 10.157 1.00 0.00 C ATOM 622 CD GLU A 44 -6.080 -5.743 11.425 1.00 0.00 C ATOM 623 OE1 GLU A 44 -4.964 -6.217 11.726 1.00 0.00 O ATOM 624 OE2 GLU A 44 -7.143 -5.902 12.063 1.00 0.00 O ATOM 0 H GLU A 44 -3.625 -6.080 7.309 1.00 0.00 H new ATOM 0 HA GLU A 44 -4.507 -3.640 8.358 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -5.916 -5.638 8.148 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -4.946 -6.480 9.340 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -5.805 -3.878 10.375 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -7.188 -4.805 9.828 1.00 0.00 H new ATOM 631 N ALA A 45 -2.474 -5.349 10.304 1.00 0.00 N ATOM 632 CA ALA A 45 -1.604 -5.247 11.464 1.00 0.00 C ATOM 633 C ALA A 45 -0.861 -3.911 11.423 1.00 0.00 C ATOM 634 O ALA A 45 -0.656 -3.278 12.457 1.00 0.00 O ATOM 635 CB ALA A 45 -0.652 -6.444 11.494 1.00 0.00 C ATOM 0 H ALA A 45 -2.427 -6.242 9.812 1.00 0.00 H new ATOM 0 HA ALA A 45 -2.187 -5.271 12.385 1.00 0.00 H new ATOM 0 HB1 ALA A 45 0.001 -6.368 12.364 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -1.229 -7.367 11.553 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -0.048 -6.451 10.587 1.00 0.00 H new ATOM 641 N ALA A 46 -0.477 -3.521 10.216 1.00 0.00 N ATOM 642 CA ALA A 46 0.240 -2.271 10.026 1.00 0.00 C ATOM 643 C ALA A 46 -0.745 -1.104 10.120 1.00 0.00 C ATOM 644 O ALA A 46 -1.088 -0.662 11.215 1.00 0.00 O ATOM 645 CB ALA A 46 0.979 -2.304 8.687 1.00 0.00 C ATOM 0 H ALA A 46 -0.649 -4.048 9.360 1.00 0.00 H new ATOM 0 HA ALA A 46 0.988 -2.135 10.807 1.00 0.00 H new ATOM 0 HB1 ALA A 46 1.517 -1.366 8.545 1.00 0.00 H new ATOM 0 HB2 ALA A 46 1.687 -3.133 8.683 1.00 0.00 H new ATOM 0 HB3 ALA A 46 0.261 -2.437 7.878 1.00 0.00 H new ATOM 651 N ASP A 47 -1.174 -0.638 8.955 1.00 0.00 N ATOM 652 CA ASP A 47 -2.113 0.469 8.892 1.00 0.00 C ATOM 653 C ASP A 47 -2.719 0.538 7.489 1.00 0.00 C ATOM 654 O ASP A 47 -3.087 1.613 7.020 1.00 0.00 O ATOM 655 CB ASP A 47 -1.413 1.801 9.170 1.00 0.00 C ATOM 656 CG ASP A 47 -1.756 2.442 10.516 1.00 0.00 C ATOM 657 OD1 ASP A 47 -2.961 2.694 10.734 1.00 0.00 O ATOM 658 OD2 ASP A 47 -0.806 2.666 11.297 1.00 0.00 O ATOM 0 H ASP A 47 -0.888 -1.007 8.048 1.00 0.00 H new ATOM 0 HA ASP A 47 -2.883 0.302 9.645 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -0.335 1.645 9.123 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -1.669 2.502 8.375 1.00 0.00 H new ATOM 663 N LEU A 48 -2.804 -0.625 6.858 1.00 0.00 N ATOM 664 CA LEU A 48 -3.360 -0.710 5.518 1.00 0.00 C ATOM 665 C LEU A 48 -4.829 -1.126 5.606 1.00 0.00 C ATOM 666 O LEU A 48 -5.233 -1.795 6.556 1.00 0.00 O ATOM 667 CB LEU A 48 -2.510 -1.634 4.644 1.00 0.00 C ATOM 668 CG LEU A 48 -2.844 -1.638 3.150 1.00 0.00 C ATOM 669 CD1 LEU A 48 -2.474 -0.303 2.502 1.00 0.00 C ATOM 670 CD2 LEU A 48 -2.181 -2.822 2.444 1.00 0.00 C ATOM 0 H LEU A 48 -2.497 -1.515 7.250 1.00 0.00 H new ATOM 0 HA LEU A 48 -3.333 0.265 5.031 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -1.464 -1.352 4.762 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -2.610 -2.652 5.021 1.00 0.00 H new ATOM 0 HG LEU A 48 -3.922 -1.760 3.041 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -2.722 -0.333 1.441 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -3.031 0.501 2.982 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -1.405 -0.125 2.620 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -2.434 -2.802 1.384 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -1.099 -2.756 2.560 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -2.537 -3.754 2.884 1.00 0.00 H new ATOM 682 N ARG A 49 -5.589 -0.713 4.602 1.00 0.00 N ATOM 683 CA ARG A 49 -7.005 -1.035 4.554 1.00 0.00 C ATOM 684 C ARG A 49 -7.538 -0.872 3.129 1.00 0.00 C ATOM 685 O ARG A 49 -6.944 -0.165 2.317 1.00 0.00 O ATOM 686 CB ARG A 49 -7.807 -0.136 5.497 1.00 0.00 C ATOM 687 CG ARG A 49 -7.988 -0.798 6.864 1.00 0.00 C ATOM 688 CD ARG A 49 -7.406 0.075 7.977 1.00 0.00 C ATOM 689 NE ARG A 49 -7.292 -0.709 9.228 1.00 0.00 N ATOM 690 CZ ARG A 49 -7.181 -0.165 10.447 1.00 0.00 C ATOM 691 NH1 ARG A 49 -7.168 1.168 10.588 1.00 0.00 N ATOM 692 NH2 ARG A 49 -7.083 -0.954 11.526 1.00 0.00 N ATOM 0 H ARG A 49 -5.251 -0.158 3.816 1.00 0.00 H new ATOM 0 HA ARG A 49 -7.120 -2.071 4.873 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -7.296 0.819 5.616 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -8.783 0.077 5.060 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -9.048 -0.972 7.050 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -7.499 -1.772 6.868 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -6.426 0.449 7.682 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -8.043 0.944 8.140 1.00 0.00 H new ATOM 0 HE ARG A 49 -7.298 -1.727 9.157 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -7.243 1.768 9.767 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -7.083 1.582 11.516 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -7.093 -1.968 11.419 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -6.998 -0.540 12.454 1.00 0.00 H new ATOM 706 N PRO A 50 -8.683 -1.557 2.861 1.00 0.00 N ATOM 707 CA PRO A 50 -9.302 -1.495 1.549 1.00 0.00 C ATOM 708 C PRO A 50 -10.014 -0.157 1.341 1.00 0.00 C ATOM 709 O PRO A 50 -10.806 0.266 2.181 1.00 0.00 O ATOM 710 CB PRO A 50 -10.249 -2.684 1.504 1.00 0.00 C ATOM 711 CG PRO A 50 -10.470 -3.095 2.950 1.00 0.00 C ATOM 712 CD PRO A 50 -9.414 -2.405 3.798 1.00 0.00 C ATOM 0 HA PRO A 50 -8.575 -1.550 0.739 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -11.191 -2.415 1.026 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -9.821 -3.503 0.926 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -11.469 -2.810 3.279 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -10.396 -4.177 3.055 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -9.868 -1.815 4.594 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -8.754 -3.129 4.275 1.00 0.00 H new ATOM 720 N GLY A 51 -9.705 0.473 0.216 1.00 0.00 N ATOM 721 CA GLY A 51 -10.304 1.755 -0.113 1.00 0.00 C ATOM 722 C GLY A 51 -9.258 2.870 -0.095 1.00 0.00 C ATOM 723 O GLY A 51 -9.559 4.015 -0.431 1.00 0.00 O ATOM 0 H GLY A 51 -9.047 0.119 -0.479 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -10.767 1.702 -1.098 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -11.097 1.984 0.600 1.00 0.00 H new ATOM 727 N ASP A 52 -8.049 2.498 0.299 1.00 0.00 N ATOM 728 CA ASP A 52 -6.955 3.453 0.364 1.00 0.00 C ATOM 729 C ASP A 52 -6.323 3.593 -1.022 1.00 0.00 C ATOM 730 O ASP A 52 -5.924 2.601 -1.630 1.00 0.00 O ATOM 731 CB ASP A 52 -5.870 2.982 1.333 1.00 0.00 C ATOM 732 CG ASP A 52 -6.247 3.058 2.814 1.00 0.00 C ATOM 733 OD1 ASP A 52 -6.036 4.142 3.399 1.00 0.00 O ATOM 734 OD2 ASP A 52 -6.739 2.029 3.328 1.00 0.00 O ATOM 0 H ASP A 52 -7.803 1.548 0.577 1.00 0.00 H new ATOM 0 HA ASP A 52 -7.358 4.405 0.709 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -5.612 1.951 1.092 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -4.974 3.581 1.171 1.00 0.00 H new ATOM 739 N ILE A 53 -6.252 4.834 -1.482 1.00 0.00 N ATOM 740 CA ILE A 53 -5.675 5.117 -2.785 1.00 0.00 C ATOM 741 C ILE A 53 -4.152 5.193 -2.658 1.00 0.00 C ATOM 742 O ILE A 53 -3.623 6.120 -2.047 1.00 0.00 O ATOM 743 CB ILE A 53 -6.306 6.374 -3.389 1.00 0.00 C ATOM 744 CG1 ILE A 53 -7.773 6.131 -3.750 1.00 0.00 C ATOM 745 CG2 ILE A 53 -5.496 6.872 -4.587 1.00 0.00 C ATOM 746 CD1 ILE A 53 -8.502 7.454 -3.998 1.00 0.00 C ATOM 0 H ILE A 53 -6.585 5.654 -0.975 1.00 0.00 H new ATOM 0 HA ILE A 53 -5.897 4.310 -3.483 1.00 0.00 H new ATOM 0 HB ILE A 53 -6.286 7.162 -2.637 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -7.833 5.506 -4.641 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -8.264 5.586 -2.944 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -5.966 7.766 -4.998 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -4.482 7.110 -4.267 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -5.463 6.096 -5.352 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -9.543 7.254 -4.253 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -8.460 8.067 -3.098 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -8.023 7.985 -4.821 1.00 0.00 H new ATOM 758 N ILE A 54 -3.491 4.207 -3.246 1.00 0.00 N ATOM 759 CA ILE A 54 -2.040 4.151 -3.206 1.00 0.00 C ATOM 760 C ILE A 54 -1.467 5.240 -4.116 1.00 0.00 C ATOM 761 O ILE A 54 -1.561 5.145 -5.338 1.00 0.00 O ATOM 762 CB ILE A 54 -1.549 2.743 -3.548 1.00 0.00 C ATOM 763 CG1 ILE A 54 -1.686 1.807 -2.345 1.00 0.00 C ATOM 764 CG2 ILE A 54 -0.117 2.777 -4.087 1.00 0.00 C ATOM 765 CD1 ILE A 54 -1.775 0.347 -2.793 1.00 0.00 C ATOM 0 H ILE A 54 -3.934 3.440 -3.753 1.00 0.00 H new ATOM 0 HA ILE A 54 -1.678 4.354 -2.198 1.00 0.00 H new ATOM 0 HB ILE A 54 -2.182 2.344 -4.341 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -0.832 1.936 -1.681 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -2.576 2.071 -1.774 1.00 0.00 H new ATOM 0 HG21 ILE A 54 0.207 1.763 -4.322 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -0.082 3.388 -4.989 1.00 0.00 H new ATOM 0 HG23 ILE A 54 0.545 3.204 -3.334 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -1.872 -0.297 -1.919 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -2.644 0.217 -3.438 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -0.872 0.079 -3.342 1.00 0.00 H new ATOM 777 N VAL A 55 -0.885 6.248 -3.483 1.00 0.00 N ATOM 778 CA VAL A 55 -0.297 7.354 -4.220 1.00 0.00 C ATOM 779 C VAL A 55 1.058 6.922 -4.784 1.00 0.00 C ATOM 780 O VAL A 55 1.337 7.126 -5.964 1.00 0.00 O ATOM 781 CB VAL A 55 -0.204 8.590 -3.323 1.00 0.00 C ATOM 782 CG1 VAL A 55 -0.276 9.875 -4.151 1.00 0.00 C ATOM 783 CG2 VAL A 55 -1.292 8.569 -2.247 1.00 0.00 C ATOM 0 H VAL A 55 -0.808 6.322 -2.469 1.00 0.00 H new ATOM 0 HA VAL A 55 -0.929 7.629 -5.065 1.00 0.00 H new ATOM 0 HB VAL A 55 0.764 8.569 -2.822 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -0.208 10.738 -3.489 1.00 0.00 H new ATOM 0 HG12 VAL A 55 0.550 9.896 -4.862 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -1.222 9.907 -4.692 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -1.204 9.458 -1.623 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -2.273 8.555 -2.722 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -1.175 7.679 -1.629 1.00 0.00 H new ATOM 793 N ALA A 56 1.864 6.331 -3.914 1.00 0.00 N ATOM 794 CA ALA A 56 3.183 5.868 -4.310 1.00 0.00 C ATOM 795 C ALA A 56 3.427 4.475 -3.726 1.00 0.00 C ATOM 796 O ALA A 56 2.621 3.978 -2.942 1.00 0.00 O ATOM 797 CB ALA A 56 4.237 6.882 -3.860 1.00 0.00 C ATOM 0 H ALA A 56 1.629 6.162 -2.936 1.00 0.00 H new ATOM 0 HA ALA A 56 3.251 5.787 -5.395 1.00 0.00 H new ATOM 0 HB1 ALA A 56 5.226 6.534 -4.157 1.00 0.00 H new ATOM 0 HB2 ALA A 56 4.036 7.847 -4.326 1.00 0.00 H new ATOM 0 HB3 ALA A 56 4.200 6.988 -2.776 1.00 0.00 H new ATOM 803 N ILE A 57 4.542 3.886 -4.132 1.00 0.00 N ATOM 804 CA ILE A 57 4.902 2.560 -3.659 1.00 0.00 C ATOM 805 C ILE A 57 6.376 2.552 -3.248 1.00 0.00 C ATOM 806 O ILE A 57 7.261 2.479 -4.100 1.00 0.00 O ATOM 807 CB ILE A 57 4.550 1.503 -4.707 1.00 0.00 C ATOM 808 CG1 ILE A 57 3.034 1.373 -4.868 1.00 0.00 C ATOM 809 CG2 ILE A 57 5.208 0.162 -4.376 1.00 0.00 C ATOM 810 CD1 ILE A 57 2.682 0.354 -5.953 1.00 0.00 C ATOM 0 H ILE A 57 5.208 4.302 -4.783 1.00 0.00 H new ATOM 0 HA ILE A 57 4.322 2.302 -2.773 1.00 0.00 H new ATOM 0 HB ILE A 57 4.949 1.829 -5.668 1.00 0.00 H new ATOM 0 HG12 ILE A 57 2.589 1.069 -3.921 1.00 0.00 H new ATOM 0 HG13 ILE A 57 2.608 2.343 -5.123 1.00 0.00 H new ATOM 0 HG21 ILE A 57 4.941 -0.572 -5.137 1.00 0.00 H new ATOM 0 HG22 ILE A 57 6.291 0.284 -4.353 1.00 0.00 H new ATOM 0 HG23 ILE A 57 4.861 -0.183 -3.402 1.00 0.00 H new ATOM 0 HD11 ILE A 57 1.598 0.282 -6.046 1.00 0.00 H new ATOM 0 HD12 ILE A 57 3.108 0.674 -6.904 1.00 0.00 H new ATOM 0 HD13 ILE A 57 3.089 -0.620 -5.683 1.00 0.00 H new ATOM 822 N ASN A 58 6.595 2.629 -1.944 1.00 0.00 N ATOM 823 CA ASN A 58 7.946 2.632 -1.411 1.00 0.00 C ATOM 824 C ASN A 58 8.603 3.982 -1.705 1.00 0.00 C ATOM 825 O ASN A 58 9.813 4.136 -1.543 1.00 0.00 O ATOM 826 CB ASN A 58 8.797 1.540 -2.061 1.00 0.00 C ATOM 827 CG ASN A 58 9.444 0.644 -1.003 1.00 0.00 C ATOM 828 OD1 ASN A 58 10.532 0.903 -0.514 1.00 0.00 O ATOM 829 ND2 ASN A 58 8.717 -0.420 -0.677 1.00 0.00 N ATOM 0 H ASN A 58 5.859 2.690 -1.241 1.00 0.00 H new ATOM 0 HA ASN A 58 7.885 2.451 -0.338 1.00 0.00 H new ATOM 0 HB2 ASN A 58 8.176 0.936 -2.723 1.00 0.00 H new ATOM 0 HB3 ASN A 58 9.571 1.997 -2.678 1.00 0.00 H new ATOM 0 HD21 ASN A 58 9.062 -1.079 0.021 1.00 0.00 H new ATOM 0 HD22 ASN A 58 7.814 -0.577 -1.125 1.00 0.00 H new ATOM 836 N GLY A 59 7.777 4.925 -2.132 1.00 0.00 N ATOM 837 CA GLY A 59 8.263 6.257 -2.451 1.00 0.00 C ATOM 838 C GLY A 59 8.163 6.533 -3.952 1.00 0.00 C ATOM 839 O GLY A 59 8.422 7.648 -4.401 1.00 0.00 O ATOM 0 H GLY A 59 6.774 4.794 -2.265 1.00 0.00 H new ATOM 0 HA2 GLY A 59 7.685 7.000 -1.902 1.00 0.00 H new ATOM 0 HA3 GLY A 59 9.299 6.357 -2.128 1.00 0.00 H new ATOM 843 N GLN A 60 7.787 5.497 -4.688 1.00 0.00 N ATOM 844 CA GLN A 60 7.650 5.613 -6.130 1.00 0.00 C ATOM 845 C GLN A 60 6.184 5.834 -6.507 1.00 0.00 C ATOM 846 O GLN A 60 5.335 4.986 -6.237 1.00 0.00 O ATOM 847 CB GLN A 60 8.218 4.381 -6.836 1.00 0.00 C ATOM 848 CG GLN A 60 7.813 4.358 -8.311 1.00 0.00 C ATOM 849 CD GLN A 60 9.043 4.289 -9.217 1.00 0.00 C ATOM 850 OE1 GLN A 60 10.176 4.234 -8.766 1.00 0.00 O ATOM 851 NE2 GLN A 60 8.760 4.295 -10.517 1.00 0.00 N ATOM 0 H GLN A 60 7.573 4.573 -4.312 1.00 0.00 H new ATOM 0 HA GLN A 60 8.225 6.478 -6.462 1.00 0.00 H new ATOM 0 HB2 GLN A 60 9.305 4.379 -6.754 1.00 0.00 H new ATOM 0 HB3 GLN A 60 7.860 3.477 -6.343 1.00 0.00 H new ATOM 0 HG2 GLN A 60 7.168 3.500 -8.501 1.00 0.00 H new ATOM 0 HG3 GLN A 60 7.233 5.251 -8.546 1.00 0.00 H new ATOM 0 HE21 GLN A 60 7.790 4.343 -10.827 1.00 0.00 H new ATOM 0 HE22 GLN A 60 9.513 4.252 -11.203 1.00 0.00 H new ATOM 860 N SER A 61 5.931 6.977 -7.127 1.00 0.00 N ATOM 861 CA SER A 61 4.582 7.320 -7.545 1.00 0.00 C ATOM 862 C SER A 61 3.872 6.080 -8.091 1.00 0.00 C ATOM 863 O SER A 61 4.510 5.197 -8.662 1.00 0.00 O ATOM 864 CB SER A 61 4.597 8.430 -8.597 1.00 0.00 C ATOM 865 OG SER A 61 4.279 9.702 -8.037 1.00 0.00 O ATOM 0 H SER A 61 6.638 7.678 -7.350 1.00 0.00 H new ATOM 0 HA SER A 61 4.038 7.689 -6.675 1.00 0.00 H new ATOM 0 HB2 SER A 61 5.582 8.475 -9.062 1.00 0.00 H new ATOM 0 HB3 SER A 61 3.882 8.192 -9.385 1.00 0.00 H new ATOM 0 HG SER A 61 4.301 10.384 -8.741 1.00 0.00 H new ATOM 871 N ALA A 62 2.562 6.053 -7.896 1.00 0.00 N ATOM 872 CA ALA A 62 1.759 4.936 -8.362 1.00 0.00 C ATOM 873 C ALA A 62 0.640 5.459 -9.265 1.00 0.00 C ATOM 874 O ALA A 62 -0.241 4.702 -9.670 1.00 0.00 O ATOM 875 CB ALA A 62 1.221 4.157 -7.160 1.00 0.00 C ATOM 0 H ALA A 62 2.037 6.787 -7.421 1.00 0.00 H new ATOM 0 HA ALA A 62 2.365 4.248 -8.952 1.00 0.00 H new ATOM 0 HB1 ALA A 62 0.618 3.319 -7.510 1.00 0.00 H new ATOM 0 HB2 ALA A 62 2.055 3.782 -6.567 1.00 0.00 H new ATOM 0 HB3 ALA A 62 0.606 4.815 -6.546 1.00 0.00 H new ATOM 881 N GLU A 63 0.712 6.750 -9.555 1.00 0.00 N ATOM 882 CA GLU A 63 -0.283 7.383 -10.404 1.00 0.00 C ATOM 883 C GLU A 63 -0.317 6.709 -11.777 1.00 0.00 C ATOM 884 O GLU A 63 -1.369 6.635 -12.410 1.00 0.00 O ATOM 885 CB GLU A 63 -0.016 8.884 -10.536 1.00 0.00 C ATOM 886 CG GLU A 63 -1.165 9.700 -9.941 1.00 0.00 C ATOM 887 CD GLU A 63 -1.480 10.919 -10.812 1.00 0.00 C ATOM 888 OE1 GLU A 63 -0.524 11.669 -11.103 1.00 0.00 O ATOM 889 OE2 GLU A 63 -2.669 11.072 -11.165 1.00 0.00 O ATOM 0 H GLU A 63 1.444 7.375 -9.217 1.00 0.00 H new ATOM 0 HA GLU A 63 -1.261 7.261 -9.937 1.00 0.00 H new ATOM 0 HB2 GLU A 63 0.915 9.137 -10.029 1.00 0.00 H new ATOM 0 HB3 GLU A 63 0.113 9.143 -11.587 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -2.052 9.074 -9.851 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -0.902 10.026 -8.935 1.00 0.00 H new ATOM 896 N ASN A 64 0.847 6.235 -12.196 1.00 0.00 N ATOM 897 CA ASN A 64 0.964 5.569 -13.483 1.00 0.00 C ATOM 898 C ASN A 64 1.538 4.166 -13.276 1.00 0.00 C ATOM 899 O ASN A 64 2.601 3.843 -13.804 1.00 0.00 O ATOM 900 CB ASN A 64 1.906 6.333 -14.415 1.00 0.00 C ATOM 901 CG ASN A 64 3.119 6.869 -13.650 1.00 0.00 C ATOM 902 OD1 ASN A 64 3.352 6.542 -12.498 1.00 0.00 O ATOM 903 ND2 ASN A 64 3.875 7.707 -14.353 1.00 0.00 N ATOM 0 H ASN A 64 1.717 6.299 -11.668 1.00 0.00 H new ATOM 0 HA ASN A 64 -0.029 5.525 -13.931 1.00 0.00 H new ATOM 0 HB2 ASN A 64 2.239 5.677 -15.219 1.00 0.00 H new ATOM 0 HB3 ASN A 64 1.371 7.160 -14.881 1.00 0.00 H new ATOM 0 HD21 ASN A 64 4.708 8.119 -13.932 1.00 0.00 H new ATOM 0 HD22 ASN A 64 3.622 7.938 -15.314 1.00 0.00 H new ATOM 910 N MET A 65 0.810 3.371 -12.507 1.00 0.00 N ATOM 911 CA MET A 65 1.233 2.010 -12.224 1.00 0.00 C ATOM 912 C MET A 65 0.178 1.001 -12.681 1.00 0.00 C ATOM 913 O MET A 65 -0.961 1.037 -12.220 1.00 0.00 O ATOM 914 CB MET A 65 1.473 1.852 -10.721 1.00 0.00 C ATOM 915 CG MET A 65 2.920 2.192 -10.358 1.00 0.00 C ATOM 916 SD MET A 65 3.221 1.821 -8.638 1.00 0.00 S ATOM 917 CE MET A 65 4.951 2.245 -8.527 1.00 0.00 C ATOM 0 H MET A 65 -0.071 3.643 -12.071 1.00 0.00 H new ATOM 0 HA MET A 65 2.155 1.815 -12.771 1.00 0.00 H new ATOM 0 HB2 MET A 65 0.794 2.503 -10.170 1.00 0.00 H new ATOM 0 HB3 MET A 65 1.249 0.829 -10.419 1.00 0.00 H new ATOM 0 HG2 MET A 65 3.605 1.623 -10.987 1.00 0.00 H new ATOM 0 HG3 MET A 65 3.114 3.247 -10.550 1.00 0.00 H new ATOM 0 HE1 MET A 65 5.539 1.339 -8.383 1.00 0.00 H new ATOM 0 HE2 MET A 65 5.264 2.739 -9.447 1.00 0.00 H new ATOM 0 HE3 MET A 65 5.108 2.917 -7.683 1.00 0.00 H new ATOM 927 N LEU A 66 0.596 0.125 -13.583 1.00 0.00 N ATOM 928 CA LEU A 66 -0.299 -0.892 -14.109 1.00 0.00 C ATOM 929 C LEU A 66 -0.643 -1.886 -12.997 1.00 0.00 C ATOM 930 O LEU A 66 0.133 -2.068 -12.060 1.00 0.00 O ATOM 931 CB LEU A 66 0.306 -1.547 -15.352 1.00 0.00 C ATOM 932 CG LEU A 66 0.840 -0.591 -16.421 1.00 0.00 C ATOM 933 CD1 LEU A 66 2.140 -1.120 -17.029 1.00 0.00 C ATOM 934 CD2 LEU A 66 -0.221 -0.314 -17.488 1.00 0.00 C ATOM 0 H LEU A 66 1.542 0.098 -13.963 1.00 0.00 H new ATOM 0 HA LEU A 66 -1.236 -0.442 -14.438 1.00 0.00 H new ATOM 0 HB2 LEU A 66 1.121 -2.198 -15.035 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -0.452 -2.184 -15.808 1.00 0.00 H new ATOM 0 HG LEU A 66 1.072 0.361 -15.943 1.00 0.00 H new ATOM 0 HD11 LEU A 66 2.498 -0.422 -17.786 1.00 0.00 H new ATOM 0 HD12 LEU A 66 2.892 -1.224 -16.247 1.00 0.00 H new ATOM 0 HD13 LEU A 66 1.958 -2.091 -17.489 1.00 0.00 H new ATOM 0 HD21 LEU A 66 0.184 0.368 -18.236 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -0.507 -1.250 -17.968 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -1.097 0.137 -17.022 1.00 0.00 H new ATOM 946 N HIS A 67 -1.808 -2.502 -13.138 1.00 0.00 N ATOM 947 CA HIS A 67 -2.265 -3.472 -12.157 1.00 0.00 C ATOM 948 C HIS A 67 -1.194 -4.547 -11.962 1.00 0.00 C ATOM 949 O HIS A 67 -1.172 -5.228 -10.938 1.00 0.00 O ATOM 950 CB HIS A 67 -3.622 -4.052 -12.559 1.00 0.00 C ATOM 951 CG HIS A 67 -4.289 -4.862 -11.473 1.00 0.00 C ATOM 952 ND1 HIS A 67 -5.226 -4.327 -10.606 1.00 0.00 N ATOM 953 CD2 HIS A 67 -4.146 -6.173 -11.123 1.00 0.00 C ATOM 954 CE1 HIS A 67 -5.621 -5.281 -9.776 1.00 0.00 C ATOM 955 NE2 HIS A 67 -4.950 -6.424 -10.098 1.00 0.00 N ATOM 0 H HIS A 67 -2.449 -2.348 -13.917 1.00 0.00 H new ATOM 0 HA HIS A 67 -2.416 -2.981 -11.196 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -4.284 -3.235 -12.847 1.00 0.00 H new ATOM 0 HB3 HIS A 67 -3.490 -4.682 -13.439 1.00 0.00 H new ATOM 0 HD1 HIS A 67 -5.556 -3.362 -10.606 1.00 0.00 H new ATOM 0 HD2 HIS A 67 -3.489 -6.886 -11.600 1.00 0.00 H new ATOM 0 HE1 HIS A 67 -6.347 -5.173 -8.984 1.00 0.00 H new ATOM 963 N ALA A 68 -0.332 -4.667 -12.961 1.00 0.00 N ATOM 964 CA ALA A 68 0.738 -5.648 -12.912 1.00 0.00 C ATOM 965 C ALA A 68 2.000 -4.992 -12.349 1.00 0.00 C ATOM 966 O ALA A 68 2.842 -5.665 -11.755 1.00 0.00 O ATOM 967 CB ALA A 68 0.959 -6.233 -14.309 1.00 0.00 C ATOM 0 H ALA A 68 -0.353 -4.101 -13.809 1.00 0.00 H new ATOM 0 HA ALA A 68 0.472 -6.473 -12.251 1.00 0.00 H new ATOM 0 HB1 ALA A 68 1.762 -6.969 -14.272 1.00 0.00 H new ATOM 0 HB2 ALA A 68 0.042 -6.713 -14.652 1.00 0.00 H new ATOM 0 HB3 ALA A 68 1.230 -5.434 -14.999 1.00 0.00 H new ATOM 973 N GLU A 69 2.092 -3.687 -12.555 1.00 0.00 N ATOM 974 CA GLU A 69 3.238 -2.932 -12.074 1.00 0.00 C ATOM 975 C GLU A 69 3.231 -2.873 -10.546 1.00 0.00 C ATOM 976 O GLU A 69 4.195 -3.282 -9.901 1.00 0.00 O ATOM 977 CB GLU A 69 3.260 -1.526 -12.678 1.00 0.00 C ATOM 978 CG GLU A 69 3.668 -1.569 -14.152 1.00 0.00 C ATOM 979 CD GLU A 69 5.119 -1.117 -14.333 1.00 0.00 C ATOM 980 OE1 GLU A 69 6.011 -1.911 -13.965 1.00 0.00 O ATOM 981 OE2 GLU A 69 5.302 0.014 -14.834 1.00 0.00 O ATOM 0 H GLU A 69 1.392 -3.132 -13.048 1.00 0.00 H new ATOM 0 HA GLU A 69 4.146 -3.443 -12.393 1.00 0.00 H new ATOM 0 HB2 GLU A 69 2.275 -1.070 -12.583 1.00 0.00 H new ATOM 0 HB3 GLU A 69 3.957 -0.898 -12.122 1.00 0.00 H new ATOM 0 HG2 GLU A 69 3.548 -2.582 -14.537 1.00 0.00 H new ATOM 0 HG3 GLU A 69 3.008 -0.926 -14.735 1.00 0.00 H new ATOM 988 N ALA A 70 2.133 -2.360 -10.010 1.00 0.00 N ATOM 989 CA ALA A 70 1.988 -2.241 -8.569 1.00 0.00 C ATOM 990 C ALA A 70 2.058 -3.633 -7.938 1.00 0.00 C ATOM 991 O ALA A 70 2.643 -3.806 -6.870 1.00 0.00 O ATOM 992 CB ALA A 70 0.678 -1.520 -8.245 1.00 0.00 C ATOM 0 H ALA A 70 1.335 -2.022 -10.548 1.00 0.00 H new ATOM 0 HA ALA A 70 2.800 -1.647 -8.149 1.00 0.00 H new ATOM 0 HB1 ALA A 70 0.569 -1.431 -7.164 1.00 0.00 H new ATOM 0 HB2 ALA A 70 0.690 -0.526 -8.692 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -0.160 -2.089 -8.648 1.00 0.00 H new ATOM 998 N GLN A 71 1.453 -4.591 -8.625 1.00 0.00 N ATOM 999 CA GLN A 71 1.439 -5.962 -8.145 1.00 0.00 C ATOM 1000 C GLN A 71 2.866 -6.509 -8.061 1.00 0.00 C ATOM 1001 O GLN A 71 3.222 -7.175 -7.090 1.00 0.00 O ATOM 1002 CB GLN A 71 0.565 -6.847 -9.036 1.00 0.00 C ATOM 1003 CG GLN A 71 -0.902 -6.781 -8.604 1.00 0.00 C ATOM 1004 CD GLN A 71 -1.102 -7.448 -7.242 1.00 0.00 C ATOM 1005 OE1 GLN A 71 -0.162 -7.825 -6.562 1.00 0.00 O ATOM 1006 NE2 GLN A 71 -2.377 -7.571 -6.882 1.00 0.00 N ATOM 0 H GLN A 71 0.969 -4.444 -9.511 1.00 0.00 H new ATOM 0 HA GLN A 71 1.007 -5.971 -7.144 1.00 0.00 H new ATOM 0 HB2 GLN A 71 0.657 -6.528 -10.074 1.00 0.00 H new ATOM 0 HB3 GLN A 71 0.916 -7.878 -8.987 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -1.224 -5.741 -8.554 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -1.527 -7.273 -9.349 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -3.116 -7.234 -7.499 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -2.615 -8.002 -5.989 1.00 0.00 H new ATOM 1015 N SER A 72 3.643 -6.208 -9.091 1.00 0.00 N ATOM 1016 CA SER A 72 5.022 -6.661 -9.145 1.00 0.00 C ATOM 1017 C SER A 72 5.855 -5.930 -8.090 1.00 0.00 C ATOM 1018 O SER A 72 6.511 -6.564 -7.264 1.00 0.00 O ATOM 1019 CB SER A 72 5.619 -6.443 -10.537 1.00 0.00 C ATOM 1020 OG SER A 72 6.939 -6.971 -10.640 1.00 0.00 O ATOM 0 H SER A 72 3.344 -5.656 -9.895 1.00 0.00 H new ATOM 0 HA SER A 72 5.039 -7.730 -8.935 1.00 0.00 H new ATOM 0 HB2 SER A 72 4.980 -6.915 -11.284 1.00 0.00 H new ATOM 0 HB3 SER A 72 5.637 -5.376 -10.761 1.00 0.00 H new ATOM 0 HG SER A 72 7.285 -6.814 -11.543 1.00 0.00 H new ATOM 1026 N LYS A 73 5.802 -4.608 -8.152 1.00 0.00 N ATOM 1027 CA LYS A 73 6.543 -3.785 -7.212 1.00 0.00 C ATOM 1028 C LYS A 73 6.252 -4.257 -5.786 1.00 0.00 C ATOM 1029 O LYS A 73 7.168 -4.613 -5.047 1.00 0.00 O ATOM 1030 CB LYS A 73 6.240 -2.303 -7.443 1.00 0.00 C ATOM 1031 CG LYS A 73 7.320 -1.651 -8.309 1.00 0.00 C ATOM 1032 CD LYS A 73 6.727 -1.119 -9.616 1.00 0.00 C ATOM 1033 CE LYS A 73 7.540 0.064 -10.145 1.00 0.00 C ATOM 1034 NZ LYS A 73 8.665 -0.411 -10.980 1.00 0.00 N ATOM 0 H LYS A 73 5.257 -4.086 -8.839 1.00 0.00 H new ATOM 0 HA LYS A 73 7.615 -3.897 -7.372 1.00 0.00 H new ATOM 0 HB2 LYS A 73 5.269 -2.198 -7.926 1.00 0.00 H new ATOM 0 HB3 LYS A 73 6.177 -1.787 -6.485 1.00 0.00 H new ATOM 0 HG2 LYS A 73 7.789 -0.835 -7.759 1.00 0.00 H new ATOM 0 HG3 LYS A 73 8.102 -2.377 -8.529 1.00 0.00 H new ATOM 0 HD2 LYS A 73 6.708 -1.914 -10.361 1.00 0.00 H new ATOM 0 HD3 LYS A 73 5.694 -0.811 -9.452 1.00 0.00 H new ATOM 0 HE2 LYS A 73 6.897 0.721 -10.731 1.00 0.00 H new ATOM 0 HE3 LYS A 73 7.922 0.652 -9.311 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 9.206 0.405 -11.331 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 9.287 -1.020 -10.411 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 8.294 -0.953 -11.787 1.00 0.00 H new ATOM 1048 N ILE A 74 4.972 -4.245 -5.443 1.00 0.00 N ATOM 1049 CA ILE A 74 4.549 -4.668 -4.119 1.00 0.00 C ATOM 1050 C ILE A 74 5.105 -6.063 -3.832 1.00 0.00 C ATOM 1051 O ILE A 74 5.607 -6.323 -2.739 1.00 0.00 O ATOM 1052 CB ILE A 74 3.027 -4.573 -3.988 1.00 0.00 C ATOM 1053 CG1 ILE A 74 2.588 -3.132 -3.719 1.00 0.00 C ATOM 1054 CG2 ILE A 74 2.508 -5.539 -2.921 1.00 0.00 C ATOM 1055 CD1 ILE A 74 1.152 -2.900 -4.191 1.00 0.00 C ATOM 0 H ILE A 74 4.215 -3.949 -6.059 1.00 0.00 H new ATOM 0 HA ILE A 74 4.954 -4.001 -3.358 1.00 0.00 H new ATOM 0 HB ILE A 74 2.583 -4.872 -4.937 1.00 0.00 H new ATOM 0 HG12 ILE A 74 2.663 -2.918 -2.653 1.00 0.00 H new ATOM 0 HG13 ILE A 74 3.259 -2.442 -4.231 1.00 0.00 H new ATOM 0 HG21 ILE A 74 1.424 -5.452 -2.848 1.00 0.00 H new ATOM 0 HG22 ILE A 74 2.772 -6.560 -3.195 1.00 0.00 H new ATOM 0 HG23 ILE A 74 2.958 -5.294 -1.959 1.00 0.00 H new ATOM 0 HD11 ILE A 74 0.865 -1.868 -3.988 1.00 0.00 H new ATOM 0 HD12 ILE A 74 1.086 -3.091 -5.262 1.00 0.00 H new ATOM 0 HD13 ILE A 74 0.481 -3.575 -3.660 1.00 0.00 H new ATOM 1067 N ARG A 75 4.998 -6.926 -4.831 1.00 0.00 N ATOM 1068 CA ARG A 75 5.484 -8.289 -4.700 1.00 0.00 C ATOM 1069 C ARG A 75 7.008 -8.298 -4.560 1.00 0.00 C ATOM 1070 O ARG A 75 7.572 -9.191 -3.931 1.00 0.00 O ATOM 1071 CB ARG A 75 5.085 -9.135 -5.910 1.00 0.00 C ATOM 1072 CG ARG A 75 5.491 -10.598 -5.715 1.00 0.00 C ATOM 1073 CD ARG A 75 4.890 -11.484 -6.807 1.00 0.00 C ATOM 1074 NE ARG A 75 4.138 -12.603 -6.195 1.00 0.00 N ATOM 1075 CZ ARG A 75 3.793 -13.721 -6.847 1.00 0.00 C ATOM 1076 NH1 ARG A 75 4.129 -13.878 -8.135 1.00 0.00 N ATOM 1077 NH2 ARG A 75 3.111 -14.684 -6.211 1.00 0.00 N ATOM 0 H ARG A 75 4.581 -6.708 -5.736 1.00 0.00 H new ATOM 0 HA ARG A 75 5.031 -8.718 -3.806 1.00 0.00 H new ATOM 0 HB2 ARG A 75 4.008 -9.070 -6.064 1.00 0.00 H new ATOM 0 HB3 ARG A 75 5.560 -8.739 -6.808 1.00 0.00 H new ATOM 0 HG2 ARG A 75 6.578 -10.683 -5.730 1.00 0.00 H new ATOM 0 HG3 ARG A 75 5.158 -10.944 -4.737 1.00 0.00 H new ATOM 0 HD2 ARG A 75 4.228 -10.895 -7.442 1.00 0.00 H new ATOM 0 HD3 ARG A 75 5.682 -11.874 -7.447 1.00 0.00 H new ATOM 0 HE ARG A 75 3.866 -12.517 -5.216 1.00 0.00 H new ATOM 0 HH11 ARG A 75 4.648 -13.146 -8.620 1.00 0.00 H new ATOM 0 HH12 ARG A 75 3.866 -14.730 -8.631 1.00 0.00 H new ATOM 0 HH21 ARG A 75 2.855 -14.565 -5.231 1.00 0.00 H new ATOM 0 HH22 ARG A 75 2.848 -15.535 -6.707 1.00 0.00 H new ATOM 1091 N GLN A 76 7.630 -7.292 -5.157 1.00 0.00 N ATOM 1092 CA GLN A 76 9.078 -7.173 -5.107 1.00 0.00 C ATOM 1093 C GLN A 76 9.483 -5.992 -4.223 1.00 0.00 C ATOM 1094 O GLN A 76 10.417 -5.260 -4.548 1.00 0.00 O ATOM 1095 CB GLN A 76 9.665 -7.032 -6.513 1.00 0.00 C ATOM 1096 CG GLN A 76 9.113 -8.110 -7.448 1.00 0.00 C ATOM 1097 CD GLN A 76 10.242 -8.966 -8.026 1.00 0.00 C ATOM 1098 OE1 GLN A 76 11.126 -9.428 -7.325 1.00 0.00 O ATOM 1099 NE2 GLN A 76 10.162 -9.150 -9.341 1.00 0.00 N ATOM 0 H GLN A 76 7.159 -6.552 -5.678 1.00 0.00 H new ATOM 0 HA GLN A 76 9.483 -8.085 -4.669 1.00 0.00 H new ATOM 0 HB2 GLN A 76 9.431 -6.045 -6.912 1.00 0.00 H new ATOM 0 HB3 GLN A 76 10.751 -7.107 -6.467 1.00 0.00 H new ATOM 0 HG2 GLN A 76 8.413 -8.744 -6.904 1.00 0.00 H new ATOM 0 HG3 GLN A 76 8.555 -7.642 -8.259 1.00 0.00 H new ATOM 0 HE21 GLN A 76 9.394 -8.734 -9.868 1.00 0.00 H new ATOM 0 HE22 GLN A 76 10.868 -9.707 -9.822 1.00 0.00 H new ATOM 1108 N SER A 77 8.760 -5.842 -3.123 1.00 0.00 N ATOM 1109 CA SER A 77 9.032 -4.762 -2.190 1.00 0.00 C ATOM 1110 C SER A 77 9.600 -5.327 -0.887 1.00 0.00 C ATOM 1111 O SER A 77 9.000 -6.211 -0.276 1.00 0.00 O ATOM 1112 CB SER A 77 7.769 -3.946 -1.908 1.00 0.00 C ATOM 1113 OG SER A 77 7.983 -2.549 -2.093 1.00 0.00 O ATOM 0 H SER A 77 7.986 -6.451 -2.857 1.00 0.00 H new ATOM 0 HA SER A 77 9.768 -4.097 -2.642 1.00 0.00 H new ATOM 0 HB2 SER A 77 6.967 -4.280 -2.566 1.00 0.00 H new ATOM 0 HB3 SER A 77 7.439 -4.130 -0.885 1.00 0.00 H new ATOM 0 HG SER A 77 7.206 -2.156 -2.543 1.00 0.00 H new ATOM 1119 N ALA A 78 10.749 -4.794 -0.499 1.00 0.00 N ATOM 1120 CA ALA A 78 11.405 -5.235 0.720 1.00 0.00 C ATOM 1121 C ALA A 78 10.705 -4.605 1.926 1.00 0.00 C ATOM 1122 O ALA A 78 10.041 -3.578 1.796 1.00 0.00 O ATOM 1123 CB ALA A 78 12.892 -4.880 0.658 1.00 0.00 C ATOM 0 H ALA A 78 11.243 -4.060 -1.008 1.00 0.00 H new ATOM 0 HA ALA A 78 11.333 -6.318 0.824 1.00 0.00 H new ATOM 0 HB1 ALA A 78 13.384 -5.211 1.573 1.00 0.00 H new ATOM 0 HB2 ALA A 78 13.349 -5.375 -0.199 1.00 0.00 H new ATOM 0 HB3 ALA A 78 13.004 -3.801 0.556 1.00 0.00 H new ATOM 1129 N SER A 79 10.879 -5.246 3.073 1.00 0.00 N ATOM 1130 CA SER A 79 10.273 -4.761 4.301 1.00 0.00 C ATOM 1131 C SER A 79 11.254 -3.854 5.046 1.00 0.00 C ATOM 1132 O SER A 79 12.459 -4.101 5.042 1.00 0.00 O ATOM 1133 CB SER A 79 9.839 -5.923 5.197 1.00 0.00 C ATOM 1134 OG SER A 79 9.315 -5.470 6.442 1.00 0.00 O ATOM 0 H SER A 79 11.431 -6.097 3.177 1.00 0.00 H new ATOM 0 HA SER A 79 9.384 -4.187 4.040 1.00 0.00 H new ATOM 0 HB2 SER A 79 9.085 -6.517 4.681 1.00 0.00 H new ATOM 0 HB3 SER A 79 10.691 -6.578 5.379 1.00 0.00 H new ATOM 0 HG SER A 79 9.491 -6.141 7.134 1.00 0.00 H new ATOM 1140 N PRO A 80 10.687 -2.796 5.685 1.00 0.00 N ATOM 1141 CA PRO A 80 9.251 -2.576 5.640 1.00 0.00 C ATOM 1142 C PRO A 80 8.823 -2.028 4.277 1.00 0.00 C ATOM 1143 O PRO A 80 9.649 -1.518 3.522 1.00 0.00 O ATOM 1144 CB PRO A 80 8.964 -1.617 6.783 1.00 0.00 C ATOM 1145 CG PRO A 80 10.296 -0.974 7.132 1.00 0.00 C ATOM 1146 CD PRO A 80 11.394 -1.784 6.464 1.00 0.00 C ATOM 0 HA PRO A 80 8.680 -3.497 5.758 1.00 0.00 H new ATOM 0 HB2 PRO A 80 8.233 -0.865 6.487 1.00 0.00 H new ATOM 0 HB3 PRO A 80 8.549 -2.145 7.641 1.00 0.00 H new ATOM 0 HG2 PRO A 80 10.322 0.060 6.789 1.00 0.00 H new ATOM 0 HG3 PRO A 80 10.439 -0.955 8.212 1.00 0.00 H new ATOM 0 HD2 PRO A 80 12.016 -1.157 5.826 1.00 0.00 H new ATOM 0 HD3 PRO A 80 12.053 -2.241 7.202 1.00 0.00 H new ATOM 1154 N LEU A 81 7.532 -2.150 4.005 1.00 0.00 N ATOM 1155 CA LEU A 81 6.984 -1.673 2.746 1.00 0.00 C ATOM 1156 C LEU A 81 6.225 -0.367 2.989 1.00 0.00 C ATOM 1157 O LEU A 81 5.166 -0.367 3.615 1.00 0.00 O ATOM 1158 CB LEU A 81 6.139 -2.762 2.083 1.00 0.00 C ATOM 1159 CG LEU A 81 5.108 -2.280 1.059 1.00 0.00 C ATOM 1160 CD1 LEU A 81 5.740 -2.128 -0.325 1.00 0.00 C ATOM 1161 CD2 LEU A 81 3.888 -3.203 1.034 1.00 0.00 C ATOM 0 H LEU A 81 6.850 -2.572 4.635 1.00 0.00 H new ATOM 0 HA LEU A 81 7.785 -1.451 2.041 1.00 0.00 H new ATOM 0 HB2 LEU A 81 6.810 -3.465 1.590 1.00 0.00 H new ATOM 0 HB3 LEU A 81 5.616 -3.314 2.864 1.00 0.00 H new ATOM 0 HG LEU A 81 4.759 -1.293 1.363 1.00 0.00 H new ATOM 0 HD11 LEU A 81 4.986 -1.785 -1.033 1.00 0.00 H new ATOM 0 HD12 LEU A 81 6.551 -1.401 -0.277 1.00 0.00 H new ATOM 0 HD13 LEU A 81 6.134 -3.090 -0.653 1.00 0.00 H new ATOM 0 HD21 LEU A 81 3.171 -2.838 0.298 1.00 0.00 H new ATOM 0 HD22 LEU A 81 4.201 -4.212 0.766 1.00 0.00 H new ATOM 0 HD23 LEU A 81 3.422 -3.217 2.019 1.00 0.00 H new ATOM 1173 N ARG A 82 6.795 0.715 2.480 1.00 0.00 N ATOM 1174 CA ARG A 82 6.185 2.025 2.633 1.00 0.00 C ATOM 1175 C ARG A 82 5.210 2.294 1.485 1.00 0.00 C ATOM 1176 O ARG A 82 5.613 2.354 0.325 1.00 0.00 O ATOM 1177 CB ARG A 82 7.246 3.127 2.660 1.00 0.00 C ATOM 1178 CG ARG A 82 7.131 3.968 3.933 1.00 0.00 C ATOM 1179 CD ARG A 82 8.386 4.818 4.144 1.00 0.00 C ATOM 1180 NE ARG A 82 9.565 3.942 4.323 1.00 0.00 N ATOM 1181 CZ ARG A 82 10.829 4.330 4.105 1.00 0.00 C ATOM 1182 NH1 ARG A 82 11.085 5.581 3.699 1.00 0.00 N ATOM 1183 NH2 ARG A 82 11.837 3.467 4.294 1.00 0.00 N ATOM 0 H ARG A 82 7.673 0.712 1.961 1.00 0.00 H new ATOM 0 HA ARG A 82 5.647 2.031 3.581 1.00 0.00 H new ATOM 0 HB2 ARG A 82 8.239 2.682 2.603 1.00 0.00 H new ATOM 0 HB3 ARG A 82 7.133 3.767 1.785 1.00 0.00 H new ATOM 0 HG2 ARG A 82 6.256 4.615 3.868 1.00 0.00 H new ATOM 0 HG3 ARG A 82 6.981 3.315 4.793 1.00 0.00 H new ATOM 0 HD2 ARG A 82 8.538 5.476 3.288 1.00 0.00 H new ATOM 0 HD3 ARG A 82 8.260 5.456 5.019 1.00 0.00 H new ATOM 0 HE ARG A 82 9.406 2.983 4.632 1.00 0.00 H new ATOM 0 HH11 ARG A 82 10.318 6.238 3.556 1.00 0.00 H new ATOM 0 HH12 ARG A 82 12.047 5.877 3.533 1.00 0.00 H new ATOM 0 HH21 ARG A 82 11.642 2.515 4.604 1.00 0.00 H new ATOM 0 HH22 ARG A 82 12.799 3.762 4.128 1.00 0.00 H new ATOM 1197 N LEU A 83 3.945 2.448 1.849 1.00 0.00 N ATOM 1198 CA LEU A 83 2.909 2.709 0.864 1.00 0.00 C ATOM 1199 C LEU A 83 2.190 4.011 1.220 1.00 0.00 C ATOM 1200 O LEU A 83 1.579 4.117 2.282 1.00 0.00 O ATOM 1201 CB LEU A 83 1.974 1.504 0.739 1.00 0.00 C ATOM 1202 CG LEU A 83 2.544 0.285 0.011 1.00 0.00 C ATOM 1203 CD1 LEU A 83 1.712 -0.965 0.300 1.00 0.00 C ATOM 1204 CD2 LEU A 83 2.672 0.554 -1.490 1.00 0.00 C ATOM 0 H LEU A 83 3.614 2.397 2.813 1.00 0.00 H new ATOM 0 HA LEU A 83 3.348 2.847 -0.124 1.00 0.00 H new ATOM 0 HB2 LEU A 83 1.674 1.197 1.741 1.00 0.00 H new ATOM 0 HB3 LEU A 83 1.070 1.823 0.220 1.00 0.00 H new ATOM 0 HG LEU A 83 3.548 0.098 0.392 1.00 0.00 H new ATOM 0 HD11 LEU A 83 2.139 -1.817 -0.230 1.00 0.00 H new ATOM 0 HD12 LEU A 83 1.716 -1.165 1.371 1.00 0.00 H new ATOM 0 HD13 LEU A 83 0.687 -0.806 -0.036 1.00 0.00 H new ATOM 0 HD21 LEU A 83 3.079 -0.328 -1.984 1.00 0.00 H new ATOM 0 HD22 LEU A 83 1.690 0.781 -1.904 1.00 0.00 H new ATOM 0 HD23 LEU A 83 3.338 1.401 -1.652 1.00 0.00 H new ATOM 1216 N GLN A 84 2.286 4.970 0.311 1.00 0.00 N ATOM 1217 CA GLN A 84 1.652 6.262 0.515 1.00 0.00 C ATOM 1218 C GLN A 84 0.200 6.222 0.035 1.00 0.00 C ATOM 1219 O GLN A 84 -0.060 6.062 -1.156 1.00 0.00 O ATOM 1220 CB GLN A 84 2.432 7.373 -0.190 1.00 0.00 C ATOM 1221 CG GLN A 84 2.015 8.750 0.329 1.00 0.00 C ATOM 1222 CD GLN A 84 2.415 9.852 -0.655 1.00 0.00 C ATOM 1223 OE1 GLN A 84 3.460 9.809 -1.283 1.00 0.00 O ATOM 1224 NE2 GLN A 84 1.528 10.837 -0.753 1.00 0.00 N ATOM 0 H GLN A 84 2.793 4.878 -0.569 1.00 0.00 H new ATOM 0 HA GLN A 84 1.656 6.482 1.583 1.00 0.00 H new ATOM 0 HB2 GLN A 84 3.501 7.229 -0.031 1.00 0.00 H new ATOM 0 HB3 GLN A 84 2.259 7.318 -1.265 1.00 0.00 H new ATOM 0 HG2 GLN A 84 0.937 8.772 0.486 1.00 0.00 H new ATOM 0 HG3 GLN A 84 2.482 8.935 1.296 1.00 0.00 H new ATOM 0 HE21 GLN A 84 0.673 10.810 -0.198 1.00 0.00 H new ATOM 0 HE22 GLN A 84 1.703 11.620 -1.383 1.00 0.00 H new ATOM 1233 N LEU A 85 -0.709 6.370 0.988 1.00 0.00 N ATOM 1234 CA LEU A 85 -2.128 6.353 0.678 1.00 0.00 C ATOM 1235 C LEU A 85 -2.658 7.788 0.658 1.00 0.00 C ATOM 1236 O LEU A 85 -2.228 8.624 1.451 1.00 0.00 O ATOM 1237 CB LEU A 85 -2.877 5.434 1.644 1.00 0.00 C ATOM 1238 CG LEU A 85 -2.217 4.085 1.934 1.00 0.00 C ATOM 1239 CD1 LEU A 85 -2.944 3.349 3.061 1.00 0.00 C ATOM 1240 CD2 LEU A 85 -2.121 3.237 0.664 1.00 0.00 C ATOM 0 H LEU A 85 -0.490 6.502 1.975 1.00 0.00 H new ATOM 0 HA LEU A 85 -2.296 5.937 -0.315 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -3.009 5.962 2.588 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -3.873 5.250 1.241 1.00 0.00 H new ATOM 0 HG LEU A 85 -1.199 4.270 2.275 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -2.454 2.393 3.247 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -2.916 3.953 3.968 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -3.981 3.175 2.773 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -1.648 2.283 0.898 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -3.121 3.059 0.269 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -1.525 3.764 -0.081 1.00 0.00 H new ATOM 1252 N ASP A 86 -3.585 8.030 -0.257 1.00 0.00 N ATOM 1253 CA ASP A 86 -4.179 9.349 -0.391 1.00 0.00 C ATOM 1254 C ASP A 86 -5.533 9.369 0.321 1.00 0.00 C ATOM 1255 O ASP A 86 -6.527 8.879 -0.213 1.00 0.00 O ATOM 1256 CB ASP A 86 -4.414 9.702 -1.861 1.00 0.00 C ATOM 1257 CG ASP A 86 -3.910 11.083 -2.283 1.00 0.00 C ATOM 1258 OD1 ASP A 86 -4.051 12.014 -1.461 1.00 0.00 O ATOM 1259 OD2 ASP A 86 -3.395 11.177 -3.418 1.00 0.00 O ATOM 0 H ASP A 86 -3.940 7.334 -0.913 1.00 0.00 H new ATOM 0 HA ASP A 86 -3.493 10.073 0.048 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -3.928 8.949 -2.482 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -5.483 9.643 -2.067 1.00 0.00 H new ATOM 1264 N ARG A 87 -5.528 9.940 1.517 1.00 0.00 N ATOM 1265 CA ARG A 87 -6.744 10.031 2.308 1.00 0.00 C ATOM 1266 C ARG A 87 -7.197 11.488 2.420 1.00 0.00 C ATOM 1267 O ARG A 87 -6.620 12.264 3.179 1.00 0.00 O ATOM 1268 CB ARG A 87 -6.531 9.460 3.712 1.00 0.00 C ATOM 1269 CG ARG A 87 -7.825 8.854 4.259 1.00 0.00 C ATOM 1270 CD ARG A 87 -7.603 8.252 5.648 1.00 0.00 C ATOM 1271 NE ARG A 87 -7.841 9.278 6.688 1.00 0.00 N ATOM 1272 CZ ARG A 87 -8.024 9.004 7.987 1.00 0.00 C ATOM 1273 NH1 ARG A 87 -7.997 7.734 8.413 1.00 0.00 N ATOM 1274 NH2 ARG A 87 -8.234 9.999 8.859 1.00 0.00 N ATOM 0 H ARG A 87 -4.701 10.344 1.957 1.00 0.00 H new ATOM 0 HA ARG A 87 -7.513 9.446 1.803 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -5.752 8.698 3.684 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -6.183 10.248 4.380 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -8.597 9.622 4.310 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -8.186 8.083 3.578 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -8.275 7.407 5.799 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -6.586 7.869 5.729 1.00 0.00 H new ATOM 0 HE ARG A 87 -7.867 10.255 6.398 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -7.837 6.977 7.749 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -8.136 7.525 9.402 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -8.255 10.966 8.534 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -8.373 9.790 9.848 1.00 0.00 H new ATOM 1288 N SER A 88 -8.227 11.814 1.654 1.00 0.00 N ATOM 1289 CA SER A 88 -8.765 13.164 1.658 1.00 0.00 C ATOM 1290 C SER A 88 -10.206 13.152 2.172 1.00 0.00 C ATOM 1291 O SER A 88 -11.150 13.146 1.383 1.00 0.00 O ATOM 1292 CB SER A 88 -8.705 13.785 0.261 1.00 0.00 C ATOM 1293 OG SER A 88 -8.714 15.209 0.308 1.00 0.00 O ATOM 0 H SER A 88 -8.704 11.167 1.026 1.00 0.00 H new ATOM 0 HA SER A 88 -8.154 13.773 2.324 1.00 0.00 H new ATOM 0 HB2 SER A 88 -7.803 13.445 -0.248 1.00 0.00 H new ATOM 0 HB3 SER A 88 -9.554 13.436 -0.327 1.00 0.00 H new ATOM 0 HG SER A 88 -8.673 15.567 -0.603 1.00 0.00 H new ATOM 1299 N SER A 89 -10.330 13.148 3.491 1.00 0.00 N ATOM 1300 CA SER A 89 -11.640 13.137 4.119 1.00 0.00 C ATOM 1301 C SER A 89 -12.480 14.306 3.600 1.00 0.00 C ATOM 1302 O SER A 89 -11.956 15.213 2.955 1.00 0.00 O ATOM 1303 CB SER A 89 -11.520 13.206 5.643 1.00 0.00 C ATOM 1304 OG SER A 89 -12.528 12.436 6.293 1.00 0.00 O ATOM 0 H SER A 89 -9.545 13.152 4.142 1.00 0.00 H new ATOM 0 HA SER A 89 -12.135 12.200 3.862 1.00 0.00 H new ATOM 0 HB2 SER A 89 -10.537 12.846 5.946 1.00 0.00 H new ATOM 0 HB3 SER A 89 -11.592 14.245 5.966 1.00 0.00 H new ATOM 0 HG SER A 89 -12.416 12.504 7.264 1.00 0.00 H new ATOM 1310 N GLY A 90 -13.769 14.246 3.900 1.00 0.00 N ATOM 1311 CA GLY A 90 -14.686 15.288 3.472 1.00 0.00 C ATOM 1312 C GLY A 90 -15.992 15.230 4.267 1.00 0.00 C ATOM 1313 O GLY A 90 -16.148 14.389 5.150 1.00 0.00 O ATOM 0 H GLY A 90 -14.200 13.492 4.434 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -14.219 16.264 3.603 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -14.898 15.176 2.409 1.00 0.00 H new ATOM 1317 N PRO A 91 -16.920 16.160 3.916 1.00 0.00 N ATOM 1318 CA PRO A 91 -18.208 16.223 4.587 1.00 0.00 C ATOM 1319 C PRO A 91 -19.122 15.086 4.126 1.00 0.00 C ATOM 1320 O PRO A 91 -19.615 15.099 2.999 1.00 0.00 O ATOM 1321 CB PRO A 91 -18.758 17.600 4.253 1.00 0.00 C ATOM 1322 CG PRO A 91 -17.981 18.077 3.037 1.00 0.00 C ATOM 1323 CD PRO A 91 -16.770 17.173 2.875 1.00 0.00 C ATOM 0 HA PRO A 91 -18.128 16.092 5.666 1.00 0.00 H new ATOM 0 HB2 PRO A 91 -19.826 17.553 4.040 1.00 0.00 H new ATOM 0 HB3 PRO A 91 -18.630 18.285 5.091 1.00 0.00 H new ATOM 0 HG2 PRO A 91 -18.607 18.040 2.145 1.00 0.00 H new ATOM 0 HG3 PRO A 91 -17.669 19.114 3.165 1.00 0.00 H new ATOM 0 HD2 PRO A 91 -16.744 16.721 1.884 1.00 0.00 H new ATOM 0 HD3 PRO A 91 -15.841 17.730 2.996 1.00 0.00 H new ATOM 1331 N SER A 92 -19.320 14.129 5.021 1.00 0.00 N ATOM 1332 CA SER A 92 -20.166 12.987 4.721 1.00 0.00 C ATOM 1333 C SER A 92 -20.516 12.241 6.010 1.00 0.00 C ATOM 1334 O SER A 92 -19.881 12.448 7.043 1.00 0.00 O ATOM 1335 CB SER A 92 -19.484 12.042 3.729 1.00 0.00 C ATOM 1336 OG SER A 92 -19.294 12.651 2.455 1.00 0.00 O ATOM 0 H SER A 92 -18.909 14.121 5.954 1.00 0.00 H new ATOM 0 HA SER A 92 -21.084 13.353 4.261 1.00 0.00 H new ATOM 0 HB2 SER A 92 -18.519 11.731 4.130 1.00 0.00 H new ATOM 0 HB3 SER A 92 -20.087 11.141 3.614 1.00 0.00 H new ATOM 0 HG SER A 92 -19.725 13.531 2.445 1.00 0.00 H new ATOM 1342 N SER A 93 -21.525 11.389 5.908 1.00 0.00 N ATOM 1343 CA SER A 93 -21.967 10.611 7.053 1.00 0.00 C ATOM 1344 C SER A 93 -22.731 9.372 6.581 1.00 0.00 C ATOM 1345 O SER A 93 -23.786 9.488 5.959 1.00 0.00 O ATOM 1346 CB SER A 93 -22.843 11.452 7.984 1.00 0.00 C ATOM 1347 OG SER A 93 -23.987 11.974 7.314 1.00 0.00 O ATOM 0 H SER A 93 -22.050 11.220 5.050 1.00 0.00 H new ATOM 0 HA SER A 93 -21.087 10.295 7.613 1.00 0.00 H new ATOM 0 HB2 SER A 93 -23.164 10.842 8.828 1.00 0.00 H new ATOM 0 HB3 SER A 93 -22.254 12.274 8.391 1.00 0.00 H new ATOM 0 HG SER A 93 -24.317 11.315 6.668 1.00 0.00 H new ATOM 1353 N GLY A 94 -22.168 8.215 6.895 1.00 0.00 N ATOM 1354 CA GLY A 94 -22.782 6.955 6.511 1.00 0.00 C ATOM 1355 C GLY A 94 -23.821 6.514 7.544 1.00 0.00 C ATOM 1356 O GLY A 94 -24.225 7.301 8.399 1.00 0.00 O ATOM 0 H GLY A 94 -21.293 8.123 7.411 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -23.256 7.060 5.535 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -22.014 6.188 6.412 1.00 0.00 H new TER 1360 GLY A 94