USER MOD reduce.3.24.130724 H: found=0, std=0, add=726, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 722 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 18 LYS NZ :NH3+ -167:sc= 0.807 (180deg=-0.454) USER MOD Set 1.2: A 24 HIS : no HD1:sc= 0.596 K(o=1.4,f=-4) USER MOD Single : A 1 GLY N :NH3+ -126:sc= 0.14 (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= 0.0471 USER MOD Single : A 6 SER OG : rot -169:sc= 1.29 USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0272) USER MOD Single : A 19 MET CE :methyl 168:sc= -0.0113 (180deg=-0.274) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ -153:sc= -0.225 (180deg=-0.547) USER MOD Single : A 42 ASN : amide:sc=-0.00867 X(o=-0.0087,f=-0.074) USER MOD Single : A 43 LYS NZ :NH3+ 159:sc= 1.23 (180deg=0.781) USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 TYR OH : rot -6:sc= -0.117 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.00203) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 LYS NZ :NH3+ -177:sc= 0.00461 (180deg=0.0044) USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 76 ASN : amide:sc= -0.0603 K(o=-0.06,f=-3.2!) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 ASN : amide:sc= -0.87 K(o=-0.87,f=-0.11) USER MOD Single : A 90 ASN : amide:sc= 0.753 K(o=0.75,f=-0.0016) USER MOD Single : A 91 SER OG : rot -37:sc= 0.802 USER MOD Single : A 94 SER OG : rot 159:sc= 1.24 USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -15.166 11.249 -19.149 1.00 0.00 N ATOM 2 CA GLY A 1 -14.407 10.887 -17.949 1.00 0.00 C ATOM 3 C GLY A 1 -14.196 9.392 -17.894 1.00 0.00 C ATOM 4 O GLY A 1 -14.459 8.679 -18.866 1.00 0.00 O ATOM 0 H1 GLY A 1 -14.644 11.971 -19.686 1.00 0.00 H new ATOM 0 H2 GLY A 1 -15.300 10.406 -19.743 1.00 0.00 H new ATOM 0 H3 GLY A 1 -16.094 11.628 -18.872 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -13.444 11.397 -17.952 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -14.941 11.219 -17.059 1.00 0.00 H new ATOM 8 N SER A 2 -13.704 8.915 -16.758 1.00 0.00 N ATOM 9 CA SER A 2 -13.317 7.531 -16.549 1.00 0.00 C ATOM 10 C SER A 2 -13.754 7.084 -15.153 1.00 0.00 C ATOM 11 O SER A 2 -14.264 7.885 -14.363 1.00 0.00 O ATOM 12 CB SER A 2 -11.802 7.410 -16.801 1.00 0.00 C ATOM 13 OG SER A 2 -11.070 8.403 -16.101 1.00 0.00 O ATOM 0 H SER A 2 -13.560 9.499 -15.934 1.00 0.00 H new ATOM 0 HA SER A 2 -13.815 6.859 -17.248 1.00 0.00 H new ATOM 0 HB2 SER A 2 -11.460 6.422 -16.493 1.00 0.00 H new ATOM 0 HB3 SER A 2 -11.603 7.497 -17.869 1.00 0.00 H new ATOM 0 HG SER A 2 -10.113 8.294 -16.284 1.00 0.00 H new ATOM 19 N SER A 3 -13.560 5.806 -14.850 1.00 0.00 N ATOM 20 CA SER A 3 -13.683 5.232 -13.526 1.00 0.00 C ATOM 21 C SER A 3 -12.691 4.063 -13.491 1.00 0.00 C ATOM 22 O SER A 3 -12.278 3.569 -14.547 1.00 0.00 O ATOM 23 CB SER A 3 -15.147 4.815 -13.321 1.00 0.00 C ATOM 24 OG SER A 3 -15.415 4.374 -12.008 1.00 0.00 O ATOM 0 H SER A 3 -13.302 5.116 -15.555 1.00 0.00 H new ATOM 0 HA SER A 3 -13.445 5.917 -12.712 1.00 0.00 H new ATOM 0 HB2 SER A 3 -15.796 5.659 -13.555 1.00 0.00 H new ATOM 0 HB3 SER A 3 -15.394 4.019 -14.023 1.00 0.00 H new ATOM 0 HG SER A 3 -16.359 4.123 -11.933 1.00 0.00 H new ATOM 30 N GLY A 4 -12.291 3.631 -12.298 1.00 0.00 N ATOM 31 CA GLY A 4 -11.383 2.514 -12.109 1.00 0.00 C ATOM 32 C GLY A 4 -12.129 1.183 -12.122 1.00 0.00 C ATOM 33 O GLY A 4 -13.362 1.134 -12.175 1.00 0.00 O ATOM 0 H GLY A 4 -12.597 4.058 -11.423 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -10.629 2.518 -12.896 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -10.855 2.628 -11.162 1.00 0.00 H new ATOM 37 N SER A 5 -11.370 0.093 -12.082 1.00 0.00 N ATOM 38 CA SER A 5 -11.881 -1.261 -11.955 1.00 0.00 C ATOM 39 C SER A 5 -11.973 -1.648 -10.479 1.00 0.00 C ATOM 40 O SER A 5 -13.031 -2.095 -10.031 1.00 0.00 O ATOM 41 CB SER A 5 -10.941 -2.208 -12.707 1.00 0.00 C ATOM 42 OG SER A 5 -9.591 -1.885 -12.427 1.00 0.00 O ATOM 0 H SER A 5 -10.352 0.132 -12.139 1.00 0.00 H new ATOM 0 HA SER A 5 -12.881 -1.328 -12.383 1.00 0.00 H new ATOM 0 HB2 SER A 5 -11.143 -3.239 -12.416 1.00 0.00 H new ATOM 0 HB3 SER A 5 -11.124 -2.138 -13.779 1.00 0.00 H new ATOM 0 HG SER A 5 -9.000 -2.498 -12.912 1.00 0.00 H new ATOM 48 N SER A 6 -10.880 -1.465 -9.729 1.00 0.00 N ATOM 49 CA SER A 6 -10.597 -2.135 -8.458 1.00 0.00 C ATOM 50 C SER A 6 -10.815 -3.651 -8.623 1.00 0.00 C ATOM 51 O SER A 6 -11.764 -4.233 -8.094 1.00 0.00 O ATOM 52 CB SER A 6 -11.351 -1.486 -7.279 1.00 0.00 C ATOM 53 OG SER A 6 -11.316 -0.061 -7.373 1.00 0.00 O ATOM 0 H SER A 6 -10.140 -0.820 -10.004 1.00 0.00 H new ATOM 0 HA SER A 6 -9.549 -2.000 -8.190 1.00 0.00 H new ATOM 0 HB2 SER A 6 -12.386 -1.828 -7.271 1.00 0.00 H new ATOM 0 HB3 SER A 6 -10.903 -1.803 -6.337 1.00 0.00 H new ATOM 0 HG SER A 6 -11.638 0.330 -6.534 1.00 0.00 H new ATOM 59 N GLY A 7 -9.962 -4.276 -9.440 1.00 0.00 N ATOM 60 CA GLY A 7 -10.038 -5.681 -9.808 1.00 0.00 C ATOM 61 C GLY A 7 -8.647 -6.298 -9.790 1.00 0.00 C ATOM 62 O GLY A 7 -7.973 -6.292 -8.759 1.00 0.00 O ATOM 0 H GLY A 7 -9.175 -3.795 -9.875 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -10.690 -6.213 -9.115 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -10.477 -5.783 -10.800 1.00 0.00 H new ATOM 66 N GLU A 8 -8.214 -6.860 -10.917 1.00 0.00 N ATOM 67 CA GLU A 8 -6.927 -7.535 -11.013 1.00 0.00 C ATOM 68 C GLU A 8 -5.800 -6.508 -11.119 1.00 0.00 C ATOM 69 O GLU A 8 -5.558 -5.915 -12.181 1.00 0.00 O ATOM 70 CB GLU A 8 -6.912 -8.520 -12.183 1.00 0.00 C ATOM 71 CG GLU A 8 -7.744 -9.767 -11.856 1.00 0.00 C ATOM 72 CD GLU A 8 -7.900 -10.637 -13.095 1.00 0.00 C ATOM 73 OE1 GLU A 8 -6.875 -11.054 -13.681 1.00 0.00 O ATOM 74 OE2 GLU A 8 -9.066 -10.820 -13.520 1.00 0.00 O ATOM 0 H GLU A 8 -8.747 -6.859 -11.787 1.00 0.00 H new ATOM 0 HA GLU A 8 -6.766 -8.116 -10.105 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -7.308 -8.037 -13.076 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -5.885 -8.811 -12.407 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -7.262 -10.337 -11.062 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -8.725 -9.471 -11.485 1.00 0.00 H new ATOM 81 N TYR A 9 -5.112 -6.336 -9.994 1.00 0.00 N ATOM 82 CA TYR A 9 -3.841 -5.646 -9.848 1.00 0.00 C ATOM 83 C TYR A 9 -2.826 -6.113 -10.900 1.00 0.00 C ATOM 84 O TYR A 9 -2.900 -7.244 -11.383 1.00 0.00 O ATOM 85 CB TYR A 9 -3.292 -5.958 -8.451 1.00 0.00 C ATOM 86 CG TYR A 9 -4.226 -5.674 -7.293 1.00 0.00 C ATOM 87 CD1 TYR A 9 -4.359 -4.363 -6.805 1.00 0.00 C ATOM 88 CD2 TYR A 9 -4.955 -6.721 -6.698 1.00 0.00 C ATOM 89 CE1 TYR A 9 -5.190 -4.102 -5.700 1.00 0.00 C ATOM 90 CE2 TYR A 9 -5.811 -6.457 -5.615 1.00 0.00 C ATOM 91 CZ TYR A 9 -5.920 -5.148 -5.100 1.00 0.00 C ATOM 92 OH TYR A 9 -6.744 -4.893 -4.051 1.00 0.00 O ATOM 0 H TYR A 9 -5.453 -6.700 -9.104 1.00 0.00 H new ATOM 0 HA TYR A 9 -3.999 -4.576 -9.984 1.00 0.00 H new ATOM 0 HB2 TYR A 9 -3.014 -7.012 -8.418 1.00 0.00 H new ATOM 0 HB3 TYR A 9 -2.378 -5.383 -8.304 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -3.822 -3.554 -7.279 1.00 0.00 H new ATOM 0 HD2 TYR A 9 -4.856 -7.729 -7.074 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -5.269 -3.098 -5.311 1.00 0.00 H new ATOM 0 HE2 TYR A 9 -6.387 -7.258 -5.176 1.00 0.00 H new ATOM 0 HH TYR A 9 -7.170 -5.726 -3.760 1.00 0.00 H new ATOM 102 N LYS A 10 -1.835 -5.273 -11.218 1.00 0.00 N ATOM 103 CA LYS A 10 -0.812 -5.595 -12.211 1.00 0.00 C ATOM 104 C LYS A 10 0.512 -4.917 -11.876 1.00 0.00 C ATOM 105 O LYS A 10 0.505 -3.914 -11.159 1.00 0.00 O ATOM 106 CB LYS A 10 -1.320 -5.207 -13.604 1.00 0.00 C ATOM 107 CG LYS A 10 -1.624 -3.718 -13.817 1.00 0.00 C ATOM 108 CD LYS A 10 -2.263 -3.524 -15.201 1.00 0.00 C ATOM 109 CE LYS A 10 -1.954 -2.168 -15.836 1.00 0.00 C ATOM 110 NZ LYS A 10 -2.219 -1.026 -14.940 1.00 0.00 N ATOM 0 H LYS A 10 -1.722 -4.353 -10.793 1.00 0.00 H new ATOM 0 HA LYS A 10 -0.621 -6.668 -12.200 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -0.576 -5.515 -14.339 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -2.227 -5.776 -13.810 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -2.297 -3.357 -13.039 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -0.707 -3.133 -13.742 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -1.915 -4.314 -15.866 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -3.344 -3.636 -15.111 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -0.907 -2.147 -16.139 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -2.550 -2.055 -16.742 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -2.103 -0.137 -15.467 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -3.191 -1.089 -14.576 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -1.550 -1.046 -14.144 1.00 0.00 H new ATOM 124 N ALA A 11 1.622 -5.469 -12.378 1.00 0.00 N ATOM 125 CA ALA A 11 2.993 -5.065 -12.075 1.00 0.00 C ATOM 126 C ALA A 11 3.200 -3.589 -12.434 1.00 0.00 C ATOM 127 O ALA A 11 3.336 -3.239 -13.612 1.00 0.00 O ATOM 128 CB ALA A 11 3.993 -5.996 -12.785 1.00 0.00 C ATOM 0 H ALA A 11 1.583 -6.246 -13.038 1.00 0.00 H new ATOM 0 HA ALA A 11 3.175 -5.162 -11.005 1.00 0.00 H new ATOM 0 HB1 ALA A 11 5.011 -5.684 -12.551 1.00 0.00 H new ATOM 0 HB2 ALA A 11 3.841 -7.020 -12.445 1.00 0.00 H new ATOM 0 HB3 ALA A 11 3.837 -5.944 -13.862 1.00 0.00 H new ATOM 134 N GLY A 12 3.211 -2.736 -11.410 1.00 0.00 N ATOM 135 CA GLY A 12 3.285 -1.287 -11.502 1.00 0.00 C ATOM 136 C GLY A 12 2.375 -0.611 -10.480 1.00 0.00 C ATOM 137 O GLY A 12 2.628 0.542 -10.127 1.00 0.00 O ATOM 0 H GLY A 12 3.166 -3.060 -10.444 1.00 0.00 H new ATOM 0 HA2 GLY A 12 4.314 -0.964 -11.343 1.00 0.00 H new ATOM 0 HA3 GLY A 12 3.003 -0.971 -12.506 1.00 0.00 H new ATOM 141 N ASP A 13 1.316 -1.289 -10.015 1.00 0.00 N ATOM 142 CA ASP A 13 0.339 -0.642 -9.142 1.00 0.00 C ATOM 143 C ASP A 13 0.842 -0.511 -7.703 1.00 0.00 C ATOM 144 O ASP A 13 1.760 -1.214 -7.268 1.00 0.00 O ATOM 145 CB ASP A 13 -1.042 -1.325 -9.167 1.00 0.00 C ATOM 146 CG ASP A 13 -2.122 -0.256 -9.345 1.00 0.00 C ATOM 147 OD1 ASP A 13 -2.079 0.778 -8.632 1.00 0.00 O ATOM 148 OD2 ASP A 13 -2.949 -0.381 -10.271 1.00 0.00 O ATOM 0 H ASP A 13 1.120 -2.267 -10.226 1.00 0.00 H new ATOM 0 HA ASP A 13 0.212 0.360 -9.551 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -1.090 -2.048 -9.981 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -1.206 -1.876 -8.241 1.00 0.00 H new ATOM 153 N LEU A 14 0.194 0.372 -6.945 1.00 0.00 N ATOM 154 CA LEU A 14 0.512 0.723 -5.562 1.00 0.00 C ATOM 155 C LEU A 14 -0.700 0.326 -4.734 1.00 0.00 C ATOM 156 O LEU A 14 -1.831 0.585 -5.165 1.00 0.00 O ATOM 157 CB LEU A 14 0.856 2.229 -5.424 1.00 0.00 C ATOM 158 CG LEU A 14 1.823 2.740 -6.516 1.00 0.00 C ATOM 159 CD1 LEU A 14 2.094 4.231 -6.348 1.00 0.00 C ATOM 160 CD2 LEU A 14 3.159 1.993 -6.503 1.00 0.00 C ATOM 0 H LEU A 14 -0.611 0.890 -7.298 1.00 0.00 H new ATOM 0 HA LEU A 14 1.400 0.197 -5.212 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -0.065 2.810 -5.464 1.00 0.00 H new ATOM 0 HB3 LEU A 14 1.301 2.404 -4.444 1.00 0.00 H new ATOM 0 HG LEU A 14 1.331 2.556 -7.471 1.00 0.00 H new ATOM 0 HD11 LEU A 14 2.777 4.567 -7.128 1.00 0.00 H new ATOM 0 HD12 LEU A 14 1.157 4.782 -6.425 1.00 0.00 H new ATOM 0 HD13 LEU A 14 2.542 4.412 -5.371 1.00 0.00 H new ATOM 0 HD21 LEU A 14 3.804 2.388 -7.288 1.00 0.00 H new ATOM 0 HD22 LEU A 14 3.642 2.127 -5.535 1.00 0.00 H new ATOM 0 HD23 LEU A 14 2.984 0.931 -6.677 1.00 0.00 H new ATOM 172 N VAL A 15 -0.500 -0.325 -3.588 1.00 0.00 N ATOM 173 CA VAL A 15 -1.555 -1.007 -2.841 1.00 0.00 C ATOM 174 C VAL A 15 -1.291 -0.963 -1.331 1.00 0.00 C ATOM 175 O VAL A 15 -0.244 -0.490 -0.883 1.00 0.00 O ATOM 176 CB VAL A 15 -1.702 -2.454 -3.374 1.00 0.00 C ATOM 177 CG1 VAL A 15 -2.208 -2.437 -4.820 1.00 0.00 C ATOM 178 CG2 VAL A 15 -0.418 -3.293 -3.317 1.00 0.00 C ATOM 0 H VAL A 15 0.416 -0.394 -3.146 1.00 0.00 H new ATOM 0 HA VAL A 15 -2.501 -0.488 -2.994 1.00 0.00 H new ATOM 0 HB VAL A 15 -2.418 -2.929 -2.704 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -2.307 -3.460 -5.183 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -3.178 -1.942 -4.860 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -1.499 -1.897 -5.447 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -0.617 -4.290 -3.710 1.00 0.00 H new ATOM 0 HG22 VAL A 15 0.356 -2.814 -3.916 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -0.080 -3.371 -2.284 1.00 0.00 H new ATOM 188 N PHE A 16 -2.223 -1.492 -0.536 1.00 0.00 N ATOM 189 CA PHE A 16 -1.923 -1.962 0.810 1.00 0.00 C ATOM 190 C PHE A 16 -2.077 -3.480 0.831 1.00 0.00 C ATOM 191 O PHE A 16 -2.887 -4.045 0.090 1.00 0.00 O ATOM 192 CB PHE A 16 -2.800 -1.280 1.872 1.00 0.00 C ATOM 193 CG PHE A 16 -2.652 0.225 1.921 1.00 0.00 C ATOM 194 CD1 PHE A 16 -3.441 1.036 1.083 1.00 0.00 C ATOM 195 CD2 PHE A 16 -1.707 0.816 2.782 1.00 0.00 C ATOM 196 CE1 PHE A 16 -3.283 2.432 1.102 1.00 0.00 C ATOM 197 CE2 PHE A 16 -1.549 2.212 2.795 1.00 0.00 C ATOM 198 CZ PHE A 16 -2.339 3.019 1.959 1.00 0.00 C ATOM 0 H PHE A 16 -3.200 -1.605 -0.808 1.00 0.00 H new ATOM 0 HA PHE A 16 -0.898 -1.695 1.066 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -3.844 -1.526 1.678 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -2.552 -1.691 2.851 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -4.169 0.584 0.425 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -1.105 0.197 3.431 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -3.888 3.053 0.458 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -0.819 2.666 3.449 1.00 0.00 H new ATOM 0 HZ PHE A 16 -2.220 4.092 1.976 1.00 0.00 H new ATOM 208 N ALA A 17 -1.315 -4.127 1.706 1.00 0.00 N ATOM 209 CA ALA A 17 -1.256 -5.558 1.922 1.00 0.00 C ATOM 210 C ALA A 17 -1.487 -5.848 3.407 1.00 0.00 C ATOM 211 O ALA A 17 -1.497 -4.927 4.226 1.00 0.00 O ATOM 212 CB ALA A 17 0.102 -6.072 1.419 1.00 0.00 C ATOM 0 H ALA A 17 -0.679 -3.624 2.325 1.00 0.00 H new ATOM 0 HA ALA A 17 -2.035 -6.080 1.366 1.00 0.00 H new ATOM 0 HB1 ALA A 17 0.164 -7.149 1.574 1.00 0.00 H new ATOM 0 HB2 ALA A 17 0.203 -5.852 0.356 1.00 0.00 H new ATOM 0 HB3 ALA A 17 0.904 -5.580 1.969 1.00 0.00 H new ATOM 218 N LYS A 18 -1.710 -7.110 3.778 1.00 0.00 N ATOM 219 CA LYS A 18 -1.998 -7.500 5.154 1.00 0.00 C ATOM 220 C LYS A 18 -1.302 -8.818 5.469 1.00 0.00 C ATOM 221 O LYS A 18 -1.756 -9.871 5.021 1.00 0.00 O ATOM 222 CB LYS A 18 -3.523 -7.598 5.340 1.00 0.00 C ATOM 223 CG LYS A 18 -3.931 -7.682 6.819 1.00 0.00 C ATOM 224 CD LYS A 18 -3.800 -6.312 7.512 1.00 0.00 C ATOM 225 CE LYS A 18 -4.760 -6.121 8.694 1.00 0.00 C ATOM 226 NZ LYS A 18 -6.182 -6.226 8.292 1.00 0.00 N ATOM 0 H LYS A 18 -1.695 -7.894 3.125 1.00 0.00 H new ATOM 0 HA LYS A 18 -1.618 -6.752 5.850 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -3.998 -6.729 4.884 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -3.894 -8.477 4.813 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -4.960 -8.034 6.896 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -3.305 -8.413 7.331 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -2.776 -6.190 7.865 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -3.980 -5.526 6.779 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -4.545 -6.869 9.457 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -4.585 -5.145 9.146 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -6.787 -5.877 9.062 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -6.344 -5.655 7.438 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -6.414 -7.220 8.093 1.00 0.00 H new ATOM 240 N MET A 19 -0.238 -8.783 6.269 1.00 0.00 N ATOM 241 CA MET A 19 0.327 -9.980 6.880 1.00 0.00 C ATOM 242 C MET A 19 -0.439 -10.317 8.160 1.00 0.00 C ATOM 243 O MET A 19 -1.084 -9.451 8.756 1.00 0.00 O ATOM 244 CB MET A 19 1.818 -9.761 7.172 1.00 0.00 C ATOM 245 CG MET A 19 2.645 -10.088 5.934 1.00 0.00 C ATOM 246 SD MET A 19 4.419 -9.764 6.065 1.00 0.00 S ATOM 247 CE MET A 19 4.820 -10.959 7.348 1.00 0.00 C ATOM 0 H MET A 19 0.255 -7.923 6.511 1.00 0.00 H new ATOM 0 HA MET A 19 0.233 -10.821 6.192 1.00 0.00 H new ATOM 0 HB2 MET A 19 1.990 -8.727 7.472 1.00 0.00 H new ATOM 0 HB3 MET A 19 2.130 -10.391 8.005 1.00 0.00 H new ATOM 0 HG2 MET A 19 2.504 -11.142 5.694 1.00 0.00 H new ATOM 0 HG3 MET A 19 2.251 -9.514 5.095 1.00 0.00 H new ATOM 0 HE1 MET A 19 5.902 -11.064 7.422 1.00 0.00 H new ATOM 0 HE2 MET A 19 4.423 -10.615 8.303 1.00 0.00 H new ATOM 0 HE3 MET A 19 4.378 -11.924 7.098 1.00 0.00 H new ATOM 257 N LYS A 20 -0.326 -11.568 8.619 1.00 0.00 N ATOM 258 CA LYS A 20 -0.961 -12.055 9.842 1.00 0.00 C ATOM 259 C LYS A 20 -0.511 -11.192 11.023 1.00 0.00 C ATOM 260 O LYS A 20 0.658 -11.240 11.413 1.00 0.00 O ATOM 261 CB LYS A 20 -0.610 -13.544 10.033 1.00 0.00 C ATOM 262 CG LYS A 20 -1.215 -14.163 11.307 1.00 0.00 C ATOM 263 CD LYS A 20 -0.672 -15.583 11.540 1.00 0.00 C ATOM 264 CE LYS A 20 -0.767 -15.993 13.017 1.00 0.00 C ATOM 265 NZ LYS A 20 -1.986 -16.760 13.347 1.00 0.00 N ATOM 0 H LYS A 20 0.221 -12.282 8.139 1.00 0.00 H new ATOM 0 HA LYS A 20 -2.046 -11.977 9.775 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -0.959 -14.105 9.166 1.00 0.00 H new ATOM 0 HB3 LYS A 20 0.474 -13.651 10.067 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -0.982 -13.535 12.167 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -2.301 -14.195 11.220 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -1.232 -16.291 10.929 1.00 0.00 H new ATOM 0 HD3 LYS A 20 0.367 -15.633 11.215 1.00 0.00 H new ATOM 0 HE2 LYS A 20 0.107 -16.590 13.275 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -0.735 -15.096 13.636 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -1.981 -17.001 14.359 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -2.826 -16.186 13.132 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -2.010 -17.633 12.783 1.00 0.00 H new ATOM 279 N GLY A 21 -1.424 -10.416 11.605 1.00 0.00 N ATOM 280 CA GLY A 21 -1.202 -9.629 12.809 1.00 0.00 C ATOM 281 C GLY A 21 -0.547 -8.275 12.571 1.00 0.00 C ATOM 282 O GLY A 21 -0.524 -7.447 13.488 1.00 0.00 O ATOM 0 H GLY A 21 -2.370 -10.317 11.236 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -2.159 -9.472 13.306 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -0.578 -10.204 13.493 1.00 0.00 H new ATOM 286 N TYR A 22 -0.029 -8.026 11.371 1.00 0.00 N ATOM 287 CA TYR A 22 0.442 -6.711 10.972 1.00 0.00 C ATOM 288 C TYR A 22 -0.764 -5.809 10.687 1.00 0.00 C ATOM 289 O TYR A 22 -1.877 -6.290 10.443 1.00 0.00 O ATOM 290 CB TYR A 22 1.387 -6.863 9.766 1.00 0.00 C ATOM 291 CG TYR A 22 2.832 -7.119 10.174 1.00 0.00 C ATOM 292 CD1 TYR A 22 3.670 -6.020 10.439 1.00 0.00 C ATOM 293 CD2 TYR A 22 3.345 -8.425 10.316 1.00 0.00 C ATOM 294 CE1 TYR A 22 4.985 -6.203 10.887 1.00 0.00 C ATOM 295 CE2 TYR A 22 4.675 -8.619 10.746 1.00 0.00 C ATOM 296 CZ TYR A 22 5.497 -7.505 11.049 1.00 0.00 C ATOM 297 OH TYR A 22 6.765 -7.648 11.532 1.00 0.00 O ATOM 0 H TYR A 22 0.074 -8.737 10.647 1.00 0.00 H new ATOM 0 HA TYR A 22 1.013 -6.234 11.769 1.00 0.00 H new ATOM 0 HB2 TYR A 22 1.040 -7.686 9.140 1.00 0.00 H new ATOM 0 HB3 TYR A 22 1.341 -5.959 9.159 1.00 0.00 H new ATOM 0 HD1 TYR A 22 3.293 -5.018 10.295 1.00 0.00 H new ATOM 0 HD2 TYR A 22 2.719 -9.277 10.095 1.00 0.00 H new ATOM 0 HE1 TYR A 22 5.605 -5.347 11.108 1.00 0.00 H new ATOM 0 HE2 TYR A 22 5.068 -9.620 10.845 1.00 0.00 H new ATOM 0 HH TYR A 22 6.986 -8.601 11.593 1.00 0.00 H new ATOM 307 N PRO A 23 -0.569 -4.484 10.749 1.00 0.00 N ATOM 308 CA PRO A 23 -1.499 -3.533 10.183 1.00 0.00 C ATOM 309 C PRO A 23 -1.453 -3.647 8.653 1.00 0.00 C ATOM 310 O PRO A 23 -0.579 -4.311 8.096 1.00 0.00 O ATOM 311 CB PRO A 23 -1.027 -2.172 10.715 1.00 0.00 C ATOM 312 CG PRO A 23 0.471 -2.344 10.966 1.00 0.00 C ATOM 313 CD PRO A 23 0.671 -3.836 11.133 1.00 0.00 C ATOM 0 HA PRO A 23 -2.541 -3.697 10.458 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -1.218 -1.378 9.993 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -1.552 -1.902 11.631 1.00 0.00 H new ATOM 0 HG2 PRO A 23 1.058 -1.958 10.133 1.00 0.00 H new ATOM 0 HG3 PRO A 23 0.787 -1.801 11.857 1.00 0.00 H new ATOM 0 HD2 PRO A 23 1.495 -4.185 10.511 1.00 0.00 H new ATOM 0 HD3 PRO A 23 0.926 -4.076 12.165 1.00 0.00 H new ATOM 321 N HIS A 24 -2.395 -2.995 7.973 1.00 0.00 N ATOM 322 CA HIS A 24 -2.374 -2.848 6.522 1.00 0.00 C ATOM 323 C HIS A 24 -1.080 -2.114 6.133 1.00 0.00 C ATOM 324 O HIS A 24 -0.968 -0.914 6.386 1.00 0.00 O ATOM 325 CB HIS A 24 -3.637 -2.116 6.036 1.00 0.00 C ATOM 326 CG HIS A 24 -4.933 -2.732 6.507 1.00 0.00 C ATOM 327 ND1 HIS A 24 -5.554 -2.477 7.708 1.00 0.00 N ATOM 328 CD2 HIS A 24 -5.714 -3.616 5.816 1.00 0.00 C ATOM 329 CE1 HIS A 24 -6.686 -3.192 7.748 1.00 0.00 C ATOM 330 NE2 HIS A 24 -6.812 -3.933 6.632 1.00 0.00 N ATOM 0 H HIS A 24 -3.199 -2.552 8.418 1.00 0.00 H new ATOM 0 HA HIS A 24 -2.381 -3.823 6.035 1.00 0.00 H new ATOM 0 HB2 HIS A 24 -3.596 -1.081 6.375 1.00 0.00 H new ATOM 0 HB3 HIS A 24 -3.634 -2.095 4.946 1.00 0.00 H new ATOM 0 HD2 HIS A 24 -5.522 -4.000 4.825 1.00 0.00 H new ATOM 0 HE1 HIS A 24 -7.397 -3.176 8.561 1.00 0.00 H new ATOM 0 HE2 HIS A 24 -7.559 -4.595 6.420 1.00 0.00 H new ATOM 338 N TRP A 25 -0.082 -2.830 5.620 1.00 0.00 N ATOM 339 CA TRP A 25 1.227 -2.293 5.253 1.00 0.00 C ATOM 340 C TRP A 25 1.141 -1.776 3.812 1.00 0.00 C ATOM 341 O TRP A 25 0.436 -2.390 3.012 1.00 0.00 O ATOM 342 CB TRP A 25 2.287 -3.403 5.381 1.00 0.00 C ATOM 343 CG TRP A 25 3.693 -2.946 5.643 1.00 0.00 C ATOM 344 CD1 TRP A 25 4.600 -2.572 4.712 1.00 0.00 C ATOM 345 CD2 TRP A 25 4.392 -2.854 6.920 1.00 0.00 C ATOM 346 NE1 TRP A 25 5.795 -2.231 5.315 1.00 0.00 N ATOM 347 CE2 TRP A 25 5.722 -2.392 6.684 1.00 0.00 C ATOM 348 CE3 TRP A 25 4.031 -3.127 8.258 1.00 0.00 C ATOM 349 CZ2 TRP A 25 6.639 -2.209 7.730 1.00 0.00 C ATOM 350 CZ3 TRP A 25 4.945 -2.938 9.314 1.00 0.00 C ATOM 351 CH2 TRP A 25 6.249 -2.491 9.048 1.00 0.00 C ATOM 0 H TRP A 25 -0.164 -3.831 5.443 1.00 0.00 H new ATOM 0 HA TRP A 25 1.514 -1.474 5.913 1.00 0.00 H new ATOM 0 HB2 TRP A 25 1.988 -4.072 6.188 1.00 0.00 H new ATOM 0 HB3 TRP A 25 2.282 -3.990 4.462 1.00 0.00 H new ATOM 0 HD1 TRP A 25 4.416 -2.544 3.648 1.00 0.00 H new ATOM 0 HE1 TRP A 25 6.622 -1.904 4.815 1.00 0.00 H new ATOM 0 HE3 TRP A 25 3.036 -3.487 8.476 1.00 0.00 H new ATOM 0 HZ2 TRP A 25 7.638 -1.854 7.522 1.00 0.00 H new ATOM 0 HZ3 TRP A 25 4.641 -3.138 10.331 1.00 0.00 H new ATOM 0 HH2 TRP A 25 6.952 -2.364 9.858 1.00 0.00 H new ATOM 362 N PRO A 26 1.804 -0.673 3.442 1.00 0.00 N ATOM 363 CA PRO A 26 1.860 -0.236 2.053 1.00 0.00 C ATOM 364 C PRO A 26 2.773 -1.152 1.241 1.00 0.00 C ATOM 365 O PRO A 26 3.863 -1.512 1.688 1.00 0.00 O ATOM 366 CB PRO A 26 2.421 1.173 2.098 1.00 0.00 C ATOM 367 CG PRO A 26 3.268 1.189 3.357 1.00 0.00 C ATOM 368 CD PRO A 26 2.522 0.253 4.303 1.00 0.00 C ATOM 0 HA PRO A 26 0.880 -0.267 1.577 1.00 0.00 H new ATOM 0 HB2 PRO A 26 3.017 1.394 1.213 1.00 0.00 H new ATOM 0 HB3 PRO A 26 1.627 1.918 2.142 1.00 0.00 H new ATOM 0 HG2 PRO A 26 4.282 0.838 3.163 1.00 0.00 H new ATOM 0 HG3 PRO A 26 3.352 2.194 3.771 1.00 0.00 H new ATOM 0 HD2 PRO A 26 3.214 -0.276 4.959 1.00 0.00 H new ATOM 0 HD3 PRO A 26 1.836 0.807 4.944 1.00 0.00 H new ATOM 376 N ALA A 27 2.346 -1.519 0.041 1.00 0.00 N ATOM 377 CA ALA A 27 3.042 -2.479 -0.793 1.00 0.00 C ATOM 378 C ALA A 27 2.852 -2.107 -2.260 1.00 0.00 C ATOM 379 O ALA A 27 2.006 -1.269 -2.588 1.00 0.00 O ATOM 380 CB ALA A 27 2.475 -3.862 -0.469 1.00 0.00 C ATOM 0 H ALA A 27 1.494 -1.151 -0.383 1.00 0.00 H new ATOM 0 HA ALA A 27 4.115 -2.481 -0.601 1.00 0.00 H new ATOM 0 HB1 ALA A 27 2.976 -4.613 -1.080 1.00 0.00 H new ATOM 0 HB2 ALA A 27 2.638 -4.084 0.586 1.00 0.00 H new ATOM 0 HB3 ALA A 27 1.406 -3.876 -0.682 1.00 0.00 H new ATOM 386 N ARG A 28 3.606 -2.726 -3.164 1.00 0.00 N ATOM 387 CA ARG A 28 3.451 -2.493 -4.596 1.00 0.00 C ATOM 388 C ARG A 28 3.413 -3.829 -5.328 1.00 0.00 C ATOM 389 O ARG A 28 3.899 -4.848 -4.827 1.00 0.00 O ATOM 390 CB ARG A 28 4.536 -1.503 -5.069 1.00 0.00 C ATOM 391 CG ARG A 28 5.708 -2.128 -5.830 1.00 0.00 C ATOM 392 CD ARG A 28 6.815 -1.096 -6.041 1.00 0.00 C ATOM 393 NE ARG A 28 7.822 -1.623 -6.957 1.00 0.00 N ATOM 394 CZ ARG A 28 8.801 -0.958 -7.565 1.00 0.00 C ATOM 395 NH1 ARG A 28 9.143 0.273 -7.186 1.00 0.00 N ATOM 396 NH2 ARG A 28 9.401 -1.554 -8.581 1.00 0.00 N ATOM 0 H ARG A 28 4.336 -3.398 -2.927 1.00 0.00 H new ATOM 0 HA ARG A 28 2.500 -2.015 -4.832 1.00 0.00 H new ATOM 0 HB2 ARG A 28 4.067 -0.755 -5.708 1.00 0.00 H new ATOM 0 HB3 ARG A 28 4.929 -0.978 -4.199 1.00 0.00 H new ATOM 0 HG2 ARG A 28 6.098 -2.981 -5.274 1.00 0.00 H new ATOM 0 HG3 ARG A 28 5.365 -2.505 -6.793 1.00 0.00 H new ATOM 0 HD2 ARG A 28 6.393 -0.175 -6.443 1.00 0.00 H new ATOM 0 HD3 ARG A 28 7.276 -0.845 -5.086 1.00 0.00 H new ATOM 0 HE ARG A 28 7.769 -2.622 -7.155 1.00 0.00 H new ATOM 0 HH11 ARG A 28 8.651 0.724 -6.415 1.00 0.00 H new ATOM 0 HH12 ARG A 28 9.897 0.764 -7.667 1.00 0.00 H new ATOM 0 HH21 ARG A 28 9.108 -2.487 -8.870 1.00 0.00 H new ATOM 0 HH22 ARG A 28 10.157 -1.081 -9.076 1.00 0.00 H new ATOM 410 N ILE A 29 2.814 -3.826 -6.513 1.00 0.00 N ATOM 411 CA ILE A 29 2.801 -4.973 -7.401 1.00 0.00 C ATOM 412 C ILE A 29 4.046 -4.840 -8.267 1.00 0.00 C ATOM 413 O ILE A 29 4.315 -3.756 -8.798 1.00 0.00 O ATOM 414 CB ILE A 29 1.548 -4.984 -8.301 1.00 0.00 C ATOM 415 CG1 ILE A 29 0.247 -4.461 -7.664 1.00 0.00 C ATOM 416 CG2 ILE A 29 1.334 -6.398 -8.878 1.00 0.00 C ATOM 417 CD1 ILE A 29 -0.295 -5.295 -6.504 1.00 0.00 C ATOM 0 H ILE A 29 2.319 -3.015 -6.885 1.00 0.00 H new ATOM 0 HA ILE A 29 2.785 -5.899 -6.827 1.00 0.00 H new ATOM 0 HB ILE A 29 1.765 -4.263 -9.089 1.00 0.00 H new ATOM 0 HG12 ILE A 29 0.419 -3.445 -7.310 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -0.519 -4.404 -8.437 1.00 0.00 H new ATOM 0 HG21 ILE A 29 0.448 -6.402 -9.513 1.00 0.00 H new ATOM 0 HG22 ILE A 29 2.204 -6.686 -9.468 1.00 0.00 H new ATOM 0 HG23 ILE A 29 1.198 -7.107 -8.062 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -1.212 -4.842 -6.127 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -0.506 -6.307 -6.851 1.00 0.00 H new ATOM 0 HD13 ILE A 29 0.446 -5.333 -5.705 1.00 0.00 H new ATOM 429 N ASP A 30 4.769 -5.934 -8.473 1.00 0.00 N ATOM 430 CA ASP A 30 5.963 -5.965 -9.307 1.00 0.00 C ATOM 431 C ASP A 30 5.865 -7.142 -10.266 1.00 0.00 C ATOM 432 O ASP A 30 4.964 -7.980 -10.158 1.00 0.00 O ATOM 433 CB ASP A 30 7.220 -6.040 -8.422 1.00 0.00 C ATOM 434 CG ASP A 30 7.891 -4.687 -8.213 1.00 0.00 C ATOM 435 OD1 ASP A 30 7.967 -3.877 -9.162 1.00 0.00 O ATOM 436 OD2 ASP A 30 8.304 -4.387 -7.074 1.00 0.00 O ATOM 0 H ASP A 30 4.539 -6.837 -8.059 1.00 0.00 H new ATOM 0 HA ASP A 30 6.040 -5.052 -9.897 1.00 0.00 H new ATOM 0 HB2 ASP A 30 6.949 -6.457 -7.452 1.00 0.00 H new ATOM 0 HB3 ASP A 30 7.935 -6.726 -8.876 1.00 0.00 H new ATOM 441 N GLU A 31 6.769 -7.196 -11.239 1.00 0.00 N ATOM 442 CA GLU A 31 6.929 -8.385 -12.055 1.00 0.00 C ATOM 443 C GLU A 31 7.686 -9.440 -11.249 1.00 0.00 C ATOM 444 O GLU A 31 8.403 -9.125 -10.291 1.00 0.00 O ATOM 445 CB GLU A 31 7.696 -8.043 -13.340 1.00 0.00 C ATOM 446 CG GLU A 31 6.800 -7.706 -14.536 1.00 0.00 C ATOM 447 CD GLU A 31 5.996 -8.907 -15.057 1.00 0.00 C ATOM 448 OE1 GLU A 31 6.030 -10.014 -14.460 1.00 0.00 O ATOM 449 OE2 GLU A 31 5.294 -8.749 -16.080 1.00 0.00 O ATOM 0 H GLU A 31 7.399 -6.430 -11.478 1.00 0.00 H new ATOM 0 HA GLU A 31 5.950 -8.774 -12.335 1.00 0.00 H new ATOM 0 HB2 GLU A 31 8.353 -7.196 -13.143 1.00 0.00 H new ATOM 0 HB3 GLU A 31 8.334 -8.887 -13.604 1.00 0.00 H new ATOM 0 HG2 GLU A 31 6.109 -6.913 -14.250 1.00 0.00 H new ATOM 0 HG3 GLU A 31 7.418 -7.315 -15.344 1.00 0.00 H new ATOM 456 N LEU A 32 7.575 -10.700 -11.665 1.00 0.00 N ATOM 457 CA LEU A 32 8.490 -11.748 -11.223 1.00 0.00 C ATOM 458 C LEU A 32 9.810 -11.572 -11.981 1.00 0.00 C ATOM 459 O LEU A 32 9.747 -11.356 -13.196 1.00 0.00 O ATOM 460 CB LEU A 32 7.886 -13.133 -11.512 1.00 0.00 C ATOM 461 CG LEU A 32 6.818 -13.483 -10.464 1.00 0.00 C ATOM 462 CD1 LEU A 32 5.647 -14.273 -11.042 1.00 0.00 C ATOM 463 CD2 LEU A 32 7.416 -14.236 -9.275 1.00 0.00 C ATOM 0 H LEU A 32 6.855 -11.020 -12.312 1.00 0.00 H new ATOM 0 HA LEU A 32 8.662 -11.674 -10.149 1.00 0.00 H new ATOM 0 HB2 LEU A 32 7.444 -13.143 -12.508 1.00 0.00 H new ATOM 0 HB3 LEU A 32 8.672 -13.888 -11.505 1.00 0.00 H new ATOM 0 HG LEU A 32 6.428 -12.526 -10.118 1.00 0.00 H new ATOM 0 HD11 LEU A 32 4.928 -14.489 -10.252 1.00 0.00 H new ATOM 0 HD12 LEU A 32 5.163 -13.687 -11.823 1.00 0.00 H new ATOM 0 HD13 LEU A 32 6.013 -15.209 -11.465 1.00 0.00 H new ATOM 0 HD21 LEU A 32 6.629 -14.465 -8.556 1.00 0.00 H new ATOM 0 HD22 LEU A 32 7.871 -15.163 -9.623 1.00 0.00 H new ATOM 0 HD23 LEU A 32 8.175 -13.617 -8.797 1.00 0.00 H new ATOM 475 N PRO A 33 10.977 -11.685 -11.323 1.00 0.00 N ATOM 476 CA PRO A 33 12.250 -11.770 -12.021 1.00 0.00 C ATOM 477 C PRO A 33 12.299 -13.049 -12.859 1.00 0.00 C ATOM 478 O PRO A 33 11.580 -14.012 -12.581 1.00 0.00 O ATOM 479 CB PRO A 33 13.332 -11.765 -10.938 1.00 0.00 C ATOM 480 CG PRO A 33 12.623 -12.109 -9.633 1.00 0.00 C ATOM 481 CD PRO A 33 11.145 -11.830 -9.888 1.00 0.00 C ATOM 0 HA PRO A 33 12.397 -10.937 -12.709 1.00 0.00 H new ATOM 0 HB2 PRO A 33 14.111 -12.493 -11.162 1.00 0.00 H new ATOM 0 HB3 PRO A 33 13.815 -10.790 -10.874 1.00 0.00 H new ATOM 0 HG2 PRO A 33 12.785 -13.152 -9.361 1.00 0.00 H new ATOM 0 HG3 PRO A 33 13.001 -11.503 -8.809 1.00 0.00 H new ATOM 0 HD2 PRO A 33 10.529 -12.645 -9.509 1.00 0.00 H new ATOM 0 HD3 PRO A 33 10.829 -10.924 -9.370 1.00 0.00 H new ATOM 489 N GLU A 34 13.168 -13.086 -13.870 1.00 0.00 N ATOM 490 CA GLU A 34 13.267 -14.231 -14.768 1.00 0.00 C ATOM 491 C GLU A 34 13.938 -15.414 -14.053 1.00 0.00 C ATOM 492 O GLU A 34 15.140 -15.661 -14.188 1.00 0.00 O ATOM 493 CB GLU A 34 13.972 -13.886 -16.090 1.00 0.00 C ATOM 494 CG GLU A 34 13.489 -12.600 -16.776 1.00 0.00 C ATOM 495 CD GLU A 34 14.283 -11.393 -16.288 1.00 0.00 C ATOM 496 OE1 GLU A 34 15.463 -11.264 -16.689 1.00 0.00 O ATOM 497 OE2 GLU A 34 13.767 -10.605 -15.463 1.00 0.00 O ATOM 0 H GLU A 34 13.817 -12.329 -14.086 1.00 0.00 H new ATOM 0 HA GLU A 34 12.253 -14.525 -15.039 1.00 0.00 H new ATOM 0 HB2 GLU A 34 15.042 -13.797 -15.900 1.00 0.00 H new ATOM 0 HB3 GLU A 34 13.840 -14.718 -16.781 1.00 0.00 H new ATOM 0 HG2 GLU A 34 13.595 -12.697 -17.856 1.00 0.00 H new ATOM 0 HG3 GLU A 34 12.429 -12.450 -16.572 1.00 0.00 H new ATOM 504 N GLY A 35 13.160 -16.174 -13.288 1.00 0.00 N ATOM 505 CA GLY A 35 13.599 -17.318 -12.510 1.00 0.00 C ATOM 506 C GLY A 35 13.339 -17.011 -11.048 1.00 0.00 C ATOM 507 O GLY A 35 14.239 -16.543 -10.343 1.00 0.00 O ATOM 0 H GLY A 35 12.160 -15.997 -13.192 1.00 0.00 H new ATOM 0 HA2 GLY A 35 13.061 -18.216 -12.814 1.00 0.00 H new ATOM 0 HA3 GLY A 35 14.659 -17.510 -12.678 1.00 0.00 H new ATOM 511 N ALA A 36 12.106 -17.261 -10.617 1.00 0.00 N ATOM 512 CA ALA A 36 11.650 -17.175 -9.242 1.00 0.00 C ATOM 513 C ALA A 36 10.801 -18.418 -8.947 1.00 0.00 C ATOM 514 O ALA A 36 10.460 -19.174 -9.870 1.00 0.00 O ATOM 515 CB ALA A 36 10.884 -15.860 -9.062 1.00 0.00 C ATOM 0 H ALA A 36 11.362 -17.544 -11.255 1.00 0.00 H new ATOM 0 HA ALA A 36 12.475 -17.162 -8.530 1.00 0.00 H new ATOM 0 HB1 ALA A 36 10.534 -15.781 -8.033 1.00 0.00 H new ATOM 0 HB2 ALA A 36 11.543 -15.021 -9.287 1.00 0.00 H new ATOM 0 HB3 ALA A 36 10.029 -15.841 -9.738 1.00 0.00 H new ATOM 521 N VAL A 37 10.460 -18.662 -7.677 1.00 0.00 N ATOM 522 CA VAL A 37 9.484 -19.702 -7.376 1.00 0.00 C ATOM 523 C VAL A 37 8.166 -19.303 -8.036 1.00 0.00 C ATOM 524 O VAL A 37 7.692 -18.176 -7.898 1.00 0.00 O ATOM 525 CB VAL A 37 9.393 -20.034 -5.879 1.00 0.00 C ATOM 526 CG1 VAL A 37 8.832 -18.877 -5.073 1.00 0.00 C ATOM 527 CG2 VAL A 37 8.517 -21.275 -5.650 1.00 0.00 C ATOM 0 H VAL A 37 10.834 -18.168 -6.867 1.00 0.00 H new ATOM 0 HA VAL A 37 9.802 -20.655 -7.798 1.00 0.00 H new ATOM 0 HB VAL A 37 10.410 -20.231 -5.539 1.00 0.00 H new ATOM 0 HG11 VAL A 37 8.785 -19.156 -4.020 1.00 0.00 H new ATOM 0 HG12 VAL A 37 9.477 -18.006 -5.190 1.00 0.00 H new ATOM 0 HG13 VAL A 37 7.830 -18.637 -5.430 1.00 0.00 H new ATOM 0 HG21 VAL A 37 8.466 -21.493 -4.583 1.00 0.00 H new ATOM 0 HG22 VAL A 37 7.513 -21.087 -6.030 1.00 0.00 H new ATOM 0 HG23 VAL A 37 8.950 -22.127 -6.174 1.00 0.00 H new ATOM 537 N LYS A 38 7.610 -20.225 -8.820 1.00 0.00 N ATOM 538 CA LYS A 38 6.385 -19.956 -9.554 1.00 0.00 C ATOM 539 C LYS A 38 5.209 -19.898 -8.573 1.00 0.00 C ATOM 540 O LYS A 38 5.072 -20.828 -7.768 1.00 0.00 O ATOM 541 CB LYS A 38 6.196 -20.942 -10.712 1.00 0.00 C ATOM 542 CG LYS A 38 6.407 -22.436 -10.419 1.00 0.00 C ATOM 543 CD LYS A 38 7.343 -23.096 -11.451 1.00 0.00 C ATOM 544 CE LYS A 38 8.855 -22.912 -11.205 1.00 0.00 C ATOM 545 NZ LYS A 38 9.373 -21.522 -11.317 1.00 0.00 N ATOM 0 H LYS A 38 7.991 -21.161 -8.960 1.00 0.00 H new ATOM 0 HA LYS A 38 6.444 -18.980 -10.035 1.00 0.00 H new ATOM 0 HB2 LYS A 38 5.185 -20.815 -11.099 1.00 0.00 H new ATOM 0 HB3 LYS A 38 6.881 -20.657 -11.511 1.00 0.00 H new ATOM 0 HG2 LYS A 38 6.826 -22.555 -9.420 1.00 0.00 H new ATOM 0 HG3 LYS A 38 5.444 -22.947 -10.423 1.00 0.00 H new ATOM 0 HD2 LYS A 38 7.126 -24.164 -11.478 1.00 0.00 H new ATOM 0 HD3 LYS A 38 7.104 -22.697 -12.437 1.00 0.00 H new ATOM 0 HE2 LYS A 38 9.088 -23.285 -10.208 1.00 0.00 H new ATOM 0 HE3 LYS A 38 9.396 -23.538 -11.914 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 10.376 -21.546 -11.589 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 8.831 -21.007 -12.039 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 9.274 -21.040 -10.401 1.00 0.00 H new ATOM 559 N PRO A 39 4.420 -18.812 -8.546 1.00 0.00 N ATOM 560 CA PRO A 39 3.245 -18.681 -7.691 1.00 0.00 C ATOM 561 C PRO A 39 2.011 -19.359 -8.270 1.00 0.00 C ATOM 562 O PRO A 39 1.962 -19.648 -9.473 1.00 0.00 O ATOM 563 CB PRO A 39 3.003 -17.184 -7.565 1.00 0.00 C ATOM 564 CG PRO A 39 3.552 -16.617 -8.868 1.00 0.00 C ATOM 565 CD PRO A 39 4.674 -17.566 -9.253 1.00 0.00 C ATOM 0 HA PRO A 39 3.423 -19.168 -6.732 1.00 0.00 H new ATOM 0 HB2 PRO A 39 1.943 -16.959 -7.446 1.00 0.00 H new ATOM 0 HB3 PRO A 39 3.517 -16.767 -6.699 1.00 0.00 H new ATOM 0 HG2 PRO A 39 2.783 -16.578 -9.639 1.00 0.00 H new ATOM 0 HG3 PRO A 39 3.921 -15.600 -8.734 1.00 0.00 H new ATOM 0 HD2 PRO A 39 4.693 -17.728 -10.331 1.00 0.00 H new ATOM 0 HD3 PRO A 39 5.644 -17.153 -8.976 1.00 0.00 H new ATOM 573 N PRO A 40 0.983 -19.566 -7.427 1.00 0.00 N ATOM 574 CA PRO A 40 -0.310 -19.976 -7.903 1.00 0.00 C ATOM 575 C PRO A 40 -0.942 -18.933 -8.789 1.00 0.00 C ATOM 576 O PRO A 40 -0.676 -17.728 -8.681 1.00 0.00 O ATOM 577 CB PRO A 40 -1.186 -20.282 -6.677 1.00 0.00 C ATOM 578 CG PRO A 40 -0.310 -20.017 -5.452 1.00 0.00 C ATOM 579 CD PRO A 40 0.993 -19.431 -5.981 1.00 0.00 C ATOM 0 HA PRO A 40 -0.207 -20.867 -8.522 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -2.074 -19.650 -6.665 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -1.531 -21.316 -6.693 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -0.798 -19.324 -4.766 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -0.126 -20.938 -4.898 1.00 0.00 H new ATOM 0 HD2 PRO A 40 1.085 -18.383 -5.695 1.00 0.00 H new ATOM 0 HD3 PRO A 40 1.849 -19.954 -5.554 1.00 0.00 H new ATOM 587 N ALA A 41 -1.829 -19.424 -9.646 1.00 0.00 N ATOM 588 CA ALA A 41 -2.638 -18.603 -10.499 1.00 0.00 C ATOM 589 C ALA A 41 -3.796 -18.043 -9.669 1.00 0.00 C ATOM 590 O ALA A 41 -4.914 -18.552 -9.749 1.00 0.00 O ATOM 591 CB ALA A 41 -3.115 -19.403 -11.710 1.00 0.00 C ATOM 0 H ALA A 41 -1.999 -20.423 -9.760 1.00 0.00 H new ATOM 0 HA ALA A 41 -2.060 -17.767 -10.893 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -3.728 -18.766 -12.348 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -2.253 -19.759 -12.274 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -3.705 -20.255 -11.373 1.00 0.00 H new ATOM 597 N ASN A 42 -3.487 -17.133 -8.738 1.00 0.00 N ATOM 598 CA ASN A 42 -4.431 -16.578 -7.759 1.00 0.00 C ATOM 599 C ASN A 42 -3.827 -15.463 -6.895 1.00 0.00 C ATOM 600 O ASN A 42 -4.471 -14.996 -5.951 1.00 0.00 O ATOM 601 CB ASN A 42 -4.987 -17.683 -6.821 1.00 0.00 C ATOM 602 CG ASN A 42 -6.466 -17.934 -7.095 1.00 0.00 C ATOM 603 OD1 ASN A 42 -7.266 -17.004 -7.164 1.00 0.00 O ATOM 604 ND2 ASN A 42 -6.856 -19.183 -7.272 1.00 0.00 N ATOM 0 H ASN A 42 -2.546 -16.751 -8.642 1.00 0.00 H new ATOM 0 HA ASN A 42 -5.236 -16.147 -8.354 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -4.424 -18.605 -6.965 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -4.851 -17.386 -5.781 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -7.835 -19.388 -7.470 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -6.178 -19.943 -7.211 1.00 0.00 H new ATOM 611 N LYS A 43 -2.561 -15.105 -7.120 1.00 0.00 N ATOM 612 CA LYS A 43 -1.755 -14.271 -6.237 1.00 0.00 C ATOM 613 C LYS A 43 -0.844 -13.381 -7.074 1.00 0.00 C ATOM 614 O LYS A 43 -0.714 -13.616 -8.276 1.00 0.00 O ATOM 615 CB LYS A 43 -0.935 -15.164 -5.296 1.00 0.00 C ATOM 616 CG LYS A 43 -1.819 -15.836 -4.233 1.00 0.00 C ATOM 617 CD LYS A 43 -0.930 -16.399 -3.131 1.00 0.00 C ATOM 618 CE LYS A 43 -1.736 -16.851 -1.912 1.00 0.00 C ATOM 619 NZ LYS A 43 -0.881 -16.889 -0.704 1.00 0.00 N ATOM 0 H LYS A 43 -2.054 -15.401 -7.954 1.00 0.00 H new ATOM 0 HA LYS A 43 -2.401 -13.635 -5.632 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -0.420 -15.929 -5.877 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -0.167 -14.566 -4.805 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -2.522 -15.114 -3.817 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -2.410 -16.633 -4.684 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -0.361 -17.243 -3.521 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -0.208 -15.641 -2.826 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -2.572 -16.171 -1.750 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -2.159 -17.839 -2.095 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -1.479 -16.844 0.146 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -0.332 -17.772 -0.695 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -0.231 -16.078 -0.713 1.00 0.00 H new ATOM 633 N TYR A 44 -0.167 -12.434 -6.431 1.00 0.00 N ATOM 634 CA TYR A 44 0.782 -11.501 -7.020 1.00 0.00 C ATOM 635 C TYR A 44 2.049 -11.517 -6.148 1.00 0.00 C ATOM 636 O TYR A 44 1.937 -11.810 -4.951 1.00 0.00 O ATOM 637 CB TYR A 44 0.151 -10.103 -7.069 1.00 0.00 C ATOM 638 CG TYR A 44 -1.248 -10.067 -7.659 1.00 0.00 C ATOM 639 CD1 TYR A 44 -2.361 -10.244 -6.813 1.00 0.00 C ATOM 640 CD2 TYR A 44 -1.437 -9.918 -9.047 1.00 0.00 C ATOM 641 CE1 TYR A 44 -3.656 -10.300 -7.350 1.00 0.00 C ATOM 642 CE2 TYR A 44 -2.735 -9.953 -9.589 1.00 0.00 C ATOM 643 CZ TYR A 44 -3.850 -10.150 -8.743 1.00 0.00 C ATOM 644 OH TYR A 44 -5.104 -10.203 -9.272 1.00 0.00 O ATOM 0 H TYR A 44 -0.274 -12.291 -5.427 1.00 0.00 H new ATOM 0 HA TYR A 44 1.042 -11.783 -8.040 1.00 0.00 H new ATOM 0 HB2 TYR A 44 0.116 -9.698 -6.058 1.00 0.00 H new ATOM 0 HB3 TYR A 44 0.796 -9.447 -7.654 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -2.217 -10.337 -5.747 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -0.585 -9.777 -9.696 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -4.504 -10.458 -6.700 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -2.879 -9.829 -10.652 1.00 0.00 H new ATOM 0 HH TYR A 44 -5.055 -10.080 -10.243 1.00 0.00 H new ATOM 654 N PRO A 45 3.240 -11.221 -6.698 1.00 0.00 N ATOM 655 CA PRO A 45 4.471 -11.066 -5.930 1.00 0.00 C ATOM 656 C PRO A 45 4.485 -9.681 -5.279 1.00 0.00 C ATOM 657 O PRO A 45 4.955 -8.697 -5.865 1.00 0.00 O ATOM 658 CB PRO A 45 5.595 -11.219 -6.956 1.00 0.00 C ATOM 659 CG PRO A 45 4.973 -10.632 -8.225 1.00 0.00 C ATOM 660 CD PRO A 45 3.502 -11.026 -8.114 1.00 0.00 C ATOM 0 HA PRO A 45 4.575 -11.794 -5.126 1.00 0.00 H new ATOM 0 HB2 PRO A 45 6.493 -10.678 -6.657 1.00 0.00 H new ATOM 0 HB3 PRO A 45 5.882 -12.262 -7.090 1.00 0.00 H new ATOM 0 HG2 PRO A 45 5.097 -9.550 -8.269 1.00 0.00 H new ATOM 0 HG3 PRO A 45 5.432 -11.043 -9.124 1.00 0.00 H new ATOM 0 HD2 PRO A 45 2.859 -10.248 -8.525 1.00 0.00 H new ATOM 0 HD3 PRO A 45 3.300 -11.938 -8.676 1.00 0.00 H new ATOM 668 N ILE A 46 3.968 -9.592 -4.062 1.00 0.00 N ATOM 669 CA ILE A 46 3.763 -8.318 -3.398 1.00 0.00 C ATOM 670 C ILE A 46 5.081 -7.932 -2.745 1.00 0.00 C ATOM 671 O ILE A 46 5.554 -8.630 -1.848 1.00 0.00 O ATOM 672 CB ILE A 46 2.563 -8.429 -2.434 1.00 0.00 C ATOM 673 CG1 ILE A 46 1.256 -8.732 -3.207 1.00 0.00 C ATOM 674 CG2 ILE A 46 2.382 -7.169 -1.584 1.00 0.00 C ATOM 675 CD1 ILE A 46 0.833 -7.662 -4.227 1.00 0.00 C ATOM 0 H ILE A 46 3.680 -10.400 -3.510 1.00 0.00 H new ATOM 0 HA ILE A 46 3.497 -7.515 -4.086 1.00 0.00 H new ATOM 0 HB ILE A 46 2.782 -9.258 -1.760 1.00 0.00 H new ATOM 0 HG12 ILE A 46 1.374 -9.682 -3.729 1.00 0.00 H new ATOM 0 HG13 ILE A 46 0.449 -8.863 -2.486 1.00 0.00 H new ATOM 0 HG21 ILE A 46 1.525 -7.296 -0.922 1.00 0.00 H new ATOM 0 HG22 ILE A 46 3.279 -7.000 -0.988 1.00 0.00 H new ATOM 0 HG23 ILE A 46 2.213 -6.312 -2.236 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -0.093 -7.969 -4.714 1.00 0.00 H new ATOM 0 HD12 ILE A 46 0.676 -6.713 -3.715 1.00 0.00 H new ATOM 0 HD13 ILE A 46 1.615 -7.545 -4.977 1.00 0.00 H new ATOM 687 N PHE A 47 5.680 -6.843 -3.230 1.00 0.00 N ATOM 688 CA PHE A 47 6.871 -6.230 -2.661 1.00 0.00 C ATOM 689 C PHE A 47 6.394 -5.293 -1.551 1.00 0.00 C ATOM 690 O PHE A 47 5.332 -4.681 -1.682 1.00 0.00 O ATOM 691 CB PHE A 47 7.595 -5.476 -3.791 1.00 0.00 C ATOM 692 CG PHE A 47 8.839 -4.692 -3.411 1.00 0.00 C ATOM 693 CD1 PHE A 47 9.922 -5.329 -2.774 1.00 0.00 C ATOM 694 CD2 PHE A 47 8.944 -3.326 -3.749 1.00 0.00 C ATOM 695 CE1 PHE A 47 11.080 -4.597 -2.462 1.00 0.00 C ATOM 696 CE2 PHE A 47 10.078 -2.582 -3.384 1.00 0.00 C ATOM 697 CZ PHE A 47 11.145 -3.220 -2.735 1.00 0.00 C ATOM 0 H PHE A 47 5.335 -6.352 -4.055 1.00 0.00 H new ATOM 0 HA PHE A 47 7.570 -6.952 -2.238 1.00 0.00 H new ATOM 0 HB2 PHE A 47 7.872 -6.200 -4.558 1.00 0.00 H new ATOM 0 HB3 PHE A 47 6.885 -4.785 -4.246 1.00 0.00 H new ATOM 0 HD1 PHE A 47 9.862 -6.378 -2.526 1.00 0.00 H new ATOM 0 HD2 PHE A 47 8.144 -2.848 -4.294 1.00 0.00 H new ATOM 0 HE1 PHE A 47 11.925 -5.095 -2.010 1.00 0.00 H new ATOM 0 HE2 PHE A 47 10.128 -1.525 -3.602 1.00 0.00 H new ATOM 0 HZ PHE A 47 12.017 -2.653 -2.445 1.00 0.00 H new ATOM 707 N PHE A 48 7.135 -5.213 -0.448 1.00 0.00 N ATOM 708 CA PHE A 48 6.792 -4.417 0.723 1.00 0.00 C ATOM 709 C PHE A 48 7.765 -3.248 0.779 1.00 0.00 C ATOM 710 O PHE A 48 8.975 -3.457 0.894 1.00 0.00 O ATOM 711 CB PHE A 48 6.917 -5.247 2.008 1.00 0.00 C ATOM 712 CG PHE A 48 5.869 -6.317 2.255 1.00 0.00 C ATOM 713 CD1 PHE A 48 5.755 -7.428 1.398 1.00 0.00 C ATOM 714 CD2 PHE A 48 5.062 -6.250 3.408 1.00 0.00 C ATOM 715 CE1 PHE A 48 4.861 -8.466 1.700 1.00 0.00 C ATOM 716 CE2 PHE A 48 4.191 -7.306 3.726 1.00 0.00 C ATOM 717 CZ PHE A 48 4.107 -8.427 2.882 1.00 0.00 C ATOM 0 H PHE A 48 8.016 -5.716 -0.344 1.00 0.00 H new ATOM 0 HA PHE A 48 5.761 -4.073 0.647 1.00 0.00 H new ATOM 0 HB2 PHE A 48 7.895 -5.728 2.004 1.00 0.00 H new ATOM 0 HB3 PHE A 48 6.903 -4.561 2.855 1.00 0.00 H new ATOM 0 HD1 PHE A 48 6.359 -7.481 0.504 1.00 0.00 H new ATOM 0 HD2 PHE A 48 5.113 -5.383 4.050 1.00 0.00 H new ATOM 0 HE1 PHE A 48 4.753 -9.298 1.020 1.00 0.00 H new ATOM 0 HE2 PHE A 48 3.586 -7.256 4.619 1.00 0.00 H new ATOM 0 HZ PHE A 48 3.464 -9.255 3.143 1.00 0.00 H new ATOM 727 N PHE A 49 7.258 -2.020 0.691 1.00 0.00 N ATOM 728 CA PHE A 49 8.113 -0.851 0.806 1.00 0.00 C ATOM 729 C PHE A 49 8.714 -0.772 2.210 1.00 0.00 C ATOM 730 O PHE A 49 8.137 -1.248 3.201 1.00 0.00 O ATOM 731 CB PHE A 49 7.337 0.419 0.431 1.00 0.00 C ATOM 732 CG PHE A 49 7.308 0.699 -1.059 1.00 0.00 C ATOM 733 CD1 PHE A 49 8.522 0.849 -1.755 1.00 0.00 C ATOM 734 CD2 PHE A 49 6.092 0.828 -1.758 1.00 0.00 C ATOM 735 CE1 PHE A 49 8.533 1.173 -3.118 1.00 0.00 C ATOM 736 CE2 PHE A 49 6.103 1.144 -3.127 1.00 0.00 C ATOM 737 CZ PHE A 49 7.320 1.324 -3.804 1.00 0.00 C ATOM 0 H PHE A 49 6.270 -1.814 0.542 1.00 0.00 H new ATOM 0 HA PHE A 49 8.942 -0.939 0.103 1.00 0.00 H new ATOM 0 HB2 PHE A 49 6.313 0.329 0.795 1.00 0.00 H new ATOM 0 HB3 PHE A 49 7.784 1.271 0.943 1.00 0.00 H new ATOM 0 HD1 PHE A 49 9.457 0.713 -1.232 1.00 0.00 H new ATOM 0 HD2 PHE A 49 5.154 0.684 -1.243 1.00 0.00 H new ATOM 0 HE1 PHE A 49 9.471 1.306 -3.637 1.00 0.00 H new ATOM 0 HE2 PHE A 49 5.170 1.249 -3.661 1.00 0.00 H new ATOM 0 HZ PHE A 49 7.321 1.579 -4.854 1.00 0.00 H new ATOM 747 N GLY A 50 9.886 -0.146 2.296 1.00 0.00 N ATOM 748 CA GLY A 50 10.687 -0.047 3.495 1.00 0.00 C ATOM 749 C GLY A 50 11.406 -1.363 3.772 1.00 0.00 C ATOM 750 O GLY A 50 12.634 -1.427 3.715 1.00 0.00 O ATOM 0 H GLY A 50 10.312 0.322 1.496 1.00 0.00 H new ATOM 0 HA2 GLY A 50 11.416 0.756 3.386 1.00 0.00 H new ATOM 0 HA3 GLY A 50 10.052 0.212 4.342 1.00 0.00 H new ATOM 754 N THR A 51 10.662 -2.413 4.125 1.00 0.00 N ATOM 755 CA THR A 51 11.245 -3.692 4.527 1.00 0.00 C ATOM 756 C THR A 51 11.934 -4.392 3.347 1.00 0.00 C ATOM 757 O THR A 51 12.866 -5.163 3.564 1.00 0.00 O ATOM 758 CB THR A 51 10.176 -4.578 5.192 1.00 0.00 C ATOM 759 OG1 THR A 51 9.135 -4.876 4.290 1.00 0.00 O ATOM 760 CG2 THR A 51 9.528 -3.881 6.395 1.00 0.00 C ATOM 0 H THR A 51 9.642 -2.400 4.140 1.00 0.00 H new ATOM 0 HA THR A 51 12.024 -3.503 5.266 1.00 0.00 H new ATOM 0 HB THR A 51 10.692 -5.484 5.510 1.00 0.00 H new ATOM 0 HG1 THR A 51 8.469 -5.441 4.734 1.00 0.00 H new ATOM 0 HG21 THR A 51 8.779 -4.539 6.837 1.00 0.00 H new ATOM 0 HG22 THR A 51 10.292 -3.651 7.137 1.00 0.00 H new ATOM 0 HG23 THR A 51 9.051 -2.957 6.067 1.00 0.00 H new ATOM 768 N HIS A 52 11.521 -4.098 2.107 1.00 0.00 N ATOM 769 CA HIS A 52 11.930 -4.762 0.870 1.00 0.00 C ATOM 770 C HIS A 52 11.633 -6.270 0.872 1.00 0.00 C ATOM 771 O HIS A 52 12.150 -6.991 0.013 1.00 0.00 O ATOM 772 CB HIS A 52 13.388 -4.433 0.479 1.00 0.00 C ATOM 773 CG HIS A 52 13.604 -3.088 -0.161 1.00 0.00 C ATOM 774 ND1 HIS A 52 14.443 -2.840 -1.231 1.00 0.00 N ATOM 775 CD2 HIS A 52 13.067 -1.895 0.238 1.00 0.00 C ATOM 776 CE1 HIS A 52 14.425 -1.517 -1.463 1.00 0.00 C ATOM 777 NE2 HIS A 52 13.634 -0.904 -0.568 1.00 0.00 N ATOM 0 H HIS A 52 10.854 -3.346 1.934 1.00 0.00 H new ATOM 0 HA HIS A 52 11.305 -4.345 0.081 1.00 0.00 H new ATOM 0 HB2 HIS A 52 14.007 -4.493 1.374 1.00 0.00 H new ATOM 0 HB3 HIS A 52 13.743 -5.202 -0.206 1.00 0.00 H new ATOM 0 HD2 HIS A 52 12.343 -1.747 1.026 1.00 0.00 H new ATOM 0 HE1 HIS A 52 14.967 -1.019 -2.253 1.00 0.00 H new ATOM 0 HE2 HIS A 52 13.476 0.101 -0.490 1.00 0.00 H new ATOM 785 N GLU A 53 10.807 -6.764 1.796 1.00 0.00 N ATOM 786 CA GLU A 53 10.382 -8.156 1.756 1.00 0.00 C ATOM 787 C GLU A 53 9.460 -8.391 0.558 1.00 0.00 C ATOM 788 O GLU A 53 8.939 -7.457 -0.060 1.00 0.00 O ATOM 789 CB GLU A 53 9.681 -8.562 3.064 1.00 0.00 C ATOM 790 CG GLU A 53 10.637 -8.631 4.262 1.00 0.00 C ATOM 791 CD GLU A 53 10.040 -9.454 5.404 1.00 0.00 C ATOM 792 OE1 GLU A 53 9.003 -9.036 5.990 1.00 0.00 O ATOM 793 OE2 GLU A 53 10.562 -10.545 5.729 1.00 0.00 O ATOM 0 H GLU A 53 10.425 -6.224 2.572 1.00 0.00 H new ATOM 0 HA GLU A 53 11.269 -8.780 1.647 1.00 0.00 H new ATOM 0 HB2 GLU A 53 8.887 -7.847 3.281 1.00 0.00 H new ATOM 0 HB3 GLU A 53 9.207 -9.534 2.929 1.00 0.00 H new ATOM 0 HG2 GLU A 53 11.583 -9.072 3.949 1.00 0.00 H new ATOM 0 HG3 GLU A 53 10.856 -7.623 4.614 1.00 0.00 H new ATOM 800 N THR A 54 9.202 -9.664 0.284 1.00 0.00 N ATOM 801 CA THR A 54 8.209 -10.133 -0.663 1.00 0.00 C ATOM 802 C THR A 54 7.300 -11.138 0.043 1.00 0.00 C ATOM 803 O THR A 54 7.749 -11.830 0.967 1.00 0.00 O ATOM 804 CB THR A 54 8.900 -10.738 -1.904 1.00 0.00 C ATOM 805 OG1 THR A 54 10.241 -11.168 -1.672 1.00 0.00 O ATOM 806 CG2 THR A 54 8.939 -9.697 -3.014 1.00 0.00 C ATOM 0 H THR A 54 9.703 -10.428 0.738 1.00 0.00 H new ATOM 0 HA THR A 54 7.596 -9.305 -1.018 1.00 0.00 H new ATOM 0 HB THR A 54 8.313 -11.616 -2.173 1.00 0.00 H new ATOM 0 HG1 THR A 54 10.613 -11.540 -2.499 1.00 0.00 H new ATOM 0 HG21 THR A 54 9.426 -10.120 -3.893 1.00 0.00 H new ATOM 0 HG22 THR A 54 7.922 -9.400 -3.271 1.00 0.00 H new ATOM 0 HG23 THR A 54 9.497 -8.824 -2.675 1.00 0.00 H new ATOM 814 N ALA A 55 6.042 -11.259 -0.384 1.00 0.00 N ATOM 815 CA ALA A 55 5.177 -12.385 -0.060 1.00 0.00 C ATOM 816 C ALA A 55 4.153 -12.547 -1.178 1.00 0.00 C ATOM 817 O ALA A 55 3.685 -11.556 -1.741 1.00 0.00 O ATOM 818 CB ALA A 55 4.455 -12.169 1.278 1.00 0.00 C ATOM 0 H ALA A 55 5.591 -10.561 -0.976 1.00 0.00 H new ATOM 0 HA ALA A 55 5.787 -13.284 0.034 1.00 0.00 H new ATOM 0 HB1 ALA A 55 3.818 -13.027 1.490 1.00 0.00 H new ATOM 0 HB2 ALA A 55 5.191 -12.058 2.075 1.00 0.00 H new ATOM 0 HB3 ALA A 55 3.844 -11.269 1.220 1.00 0.00 H new ATOM 824 N PHE A 56 3.728 -13.784 -1.433 1.00 0.00 N ATOM 825 CA PHE A 56 2.675 -14.042 -2.399 1.00 0.00 C ATOM 826 C PHE A 56 1.344 -13.934 -1.666 1.00 0.00 C ATOM 827 O PHE A 56 0.998 -14.786 -0.837 1.00 0.00 O ATOM 828 CB PHE A 56 2.858 -15.416 -3.052 1.00 0.00 C ATOM 829 CG PHE A 56 3.987 -15.466 -4.058 1.00 0.00 C ATOM 830 CD1 PHE A 56 3.900 -14.721 -5.248 1.00 0.00 C ATOM 831 CD2 PHE A 56 5.112 -16.278 -3.833 1.00 0.00 C ATOM 832 CE1 PHE A 56 4.930 -14.781 -6.200 1.00 0.00 C ATOM 833 CE2 PHE A 56 6.141 -16.332 -4.782 1.00 0.00 C ATOM 834 CZ PHE A 56 6.044 -15.608 -5.979 1.00 0.00 C ATOM 0 H PHE A 56 4.100 -14.619 -0.981 1.00 0.00 H new ATOM 0 HA PHE A 56 2.708 -13.313 -3.209 1.00 0.00 H new ATOM 0 HB2 PHE A 56 3.044 -16.156 -2.274 1.00 0.00 H new ATOM 0 HB3 PHE A 56 1.929 -15.700 -3.547 1.00 0.00 H new ATOM 0 HD1 PHE A 56 3.036 -14.099 -5.430 1.00 0.00 H new ATOM 0 HD2 PHE A 56 5.183 -16.861 -2.927 1.00 0.00 H new ATOM 0 HE1 PHE A 56 4.866 -14.191 -7.103 1.00 0.00 H new ATOM 0 HE2 PHE A 56 7.016 -16.936 -4.590 1.00 0.00 H new ATOM 0 HZ PHE A 56 6.820 -15.686 -6.726 1.00 0.00 H new ATOM 844 N LEU A 57 0.562 -12.907 -1.991 1.00 0.00 N ATOM 845 CA LEU A 57 -0.739 -12.621 -1.390 1.00 0.00 C ATOM 846 C LEU A 57 -1.776 -12.526 -2.514 1.00 0.00 C ATOM 847 O LEU A 57 -1.427 -12.220 -3.658 1.00 0.00 O ATOM 848 CB LEU A 57 -0.625 -11.335 -0.549 1.00 0.00 C ATOM 849 CG LEU A 57 0.162 -11.555 0.765 1.00 0.00 C ATOM 850 CD1 LEU A 57 0.834 -10.270 1.258 1.00 0.00 C ATOM 851 CD2 LEU A 57 -0.748 -12.105 1.871 1.00 0.00 C ATOM 0 H LEU A 57 0.826 -12.228 -2.705 1.00 0.00 H new ATOM 0 HA LEU A 57 -1.063 -13.412 -0.714 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -0.133 -10.561 -1.139 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -1.624 -10.969 -0.313 1.00 0.00 H new ATOM 0 HG LEU A 57 0.939 -12.285 0.538 1.00 0.00 H new ATOM 0 HD11 LEU A 57 1.374 -10.474 2.183 1.00 0.00 H new ATOM 0 HD12 LEU A 57 1.532 -9.911 0.501 1.00 0.00 H new ATOM 0 HD13 LEU A 57 0.075 -9.510 1.441 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -0.167 -12.249 2.782 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -1.555 -11.398 2.063 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -1.169 -13.059 1.554 1.00 0.00 H new ATOM 863 N GLY A 58 -3.035 -12.851 -2.215 1.00 0.00 N ATOM 864 CA GLY A 58 -4.127 -12.862 -3.171 1.00 0.00 C ATOM 865 C GLY A 58 -4.838 -11.513 -3.194 1.00 0.00 C ATOM 866 O GLY A 58 -4.651 -10.701 -2.291 1.00 0.00 O ATOM 0 H GLY A 58 -3.324 -13.120 -1.274 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -3.744 -13.094 -4.165 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -4.836 -13.648 -2.911 1.00 0.00 H new ATOM 870 N PRO A 59 -5.709 -11.268 -4.181 1.00 0.00 N ATOM 871 CA PRO A 59 -6.391 -9.992 -4.326 1.00 0.00 C ATOM 872 C PRO A 59 -7.314 -9.742 -3.136 1.00 0.00 C ATOM 873 O PRO A 59 -7.282 -8.653 -2.576 1.00 0.00 O ATOM 874 CB PRO A 59 -7.112 -10.046 -5.674 1.00 0.00 C ATOM 875 CG PRO A 59 -7.218 -11.535 -6.003 1.00 0.00 C ATOM 876 CD PRO A 59 -6.104 -12.214 -5.201 1.00 0.00 C ATOM 0 HA PRO A 59 -5.705 -9.145 -4.324 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -8.097 -9.583 -5.614 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -6.554 -9.510 -6.442 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -8.196 -11.929 -5.727 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -7.094 -11.710 -7.072 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -6.457 -13.144 -4.754 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -5.261 -12.469 -5.844 1.00 0.00 H new ATOM 884 N LYS A 60 -8.023 -10.770 -2.645 1.00 0.00 N ATOM 885 CA LYS A 60 -8.830 -10.627 -1.435 1.00 0.00 C ATOM 886 C LYS A 60 -8.003 -10.343 -0.170 1.00 0.00 C ATOM 887 O LYS A 60 -8.610 -10.084 0.873 1.00 0.00 O ATOM 888 CB LYS A 60 -9.799 -11.814 -1.255 1.00 0.00 C ATOM 889 CG LYS A 60 -9.187 -13.145 -0.772 1.00 0.00 C ATOM 890 CD LYS A 60 -8.916 -14.156 -1.895 1.00 0.00 C ATOM 891 CE LYS A 60 -8.449 -15.480 -1.272 1.00 0.00 C ATOM 892 NZ LYS A 60 -8.334 -16.573 -2.258 1.00 0.00 N ATOM 0 H LYS A 60 -8.051 -11.699 -3.066 1.00 0.00 H new ATOM 0 HA LYS A 60 -9.435 -9.732 -1.581 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -10.571 -11.518 -0.545 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -10.296 -11.995 -2.208 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -8.251 -12.935 -0.254 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -9.860 -13.599 -0.044 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -9.819 -14.315 -2.485 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -8.156 -13.770 -2.574 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -7.482 -15.328 -0.792 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -9.150 -15.775 -0.491 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -8.016 -17.440 -1.780 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -9.261 -16.741 -2.699 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -7.645 -16.309 -2.991 1.00 0.00 H new ATOM 906 N ASP A 61 -6.667 -10.423 -0.205 1.00 0.00 N ATOM 907 CA ASP A 61 -5.800 -10.020 0.907 1.00 0.00 C ATOM 908 C ASP A 61 -5.353 -8.556 0.767 1.00 0.00 C ATOM 909 O ASP A 61 -4.820 -8.000 1.729 1.00 0.00 O ATOM 910 CB ASP A 61 -4.514 -10.882 0.984 1.00 0.00 C ATOM 911 CG ASP A 61 -4.710 -12.369 1.247 1.00 0.00 C ATOM 912 OD1 ASP A 61 -5.403 -12.733 2.218 1.00 0.00 O ATOM 913 OD2 ASP A 61 -4.072 -13.204 0.538 1.00 0.00 O ATOM 0 H ASP A 61 -6.154 -10.773 -1.014 1.00 0.00 H new ATOM 0 HA ASP A 61 -6.397 -10.157 1.809 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -3.971 -10.770 0.046 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -3.878 -10.477 1.771 1.00 0.00 H new ATOM 918 N LEU A 62 -5.473 -7.959 -0.423 1.00 0.00 N ATOM 919 CA LEU A 62 -4.904 -6.683 -0.846 1.00 0.00 C ATOM 920 C LEU A 62 -5.980 -5.601 -0.887 1.00 0.00 C ATOM 921 O LEU A 62 -7.165 -5.900 -0.746 1.00 0.00 O ATOM 922 CB LEU A 62 -4.300 -6.883 -2.255 1.00 0.00 C ATOM 923 CG LEU A 62 -3.052 -7.779 -2.250 1.00 0.00 C ATOM 924 CD1 LEU A 62 -2.701 -8.267 -3.657 1.00 0.00 C ATOM 925 CD2 LEU A 62 -1.865 -7.024 -1.655 1.00 0.00 C ATOM 0 H LEU A 62 -6.014 -8.393 -1.171 1.00 0.00 H new ATOM 0 HA LEU A 62 -4.138 -6.362 -0.140 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -5.054 -7.322 -2.909 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -4.041 -5.911 -2.675 1.00 0.00 H new ATOM 0 HG LEU A 62 -3.275 -8.652 -1.636 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -1.813 -8.898 -3.612 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -3.534 -8.842 -4.061 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -2.505 -7.410 -4.301 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -0.986 -7.669 -1.656 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -1.664 -6.134 -2.252 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -2.097 -6.729 -0.632 1.00 0.00 H new ATOM 937 N PHE A 63 -5.573 -4.343 -1.061 1.00 0.00 N ATOM 938 CA PHE A 63 -6.474 -3.212 -1.233 1.00 0.00 C ATOM 939 C PHE A 63 -5.861 -2.202 -2.211 1.00 0.00 C ATOM 940 O PHE A 63 -4.652 -1.955 -2.135 1.00 0.00 O ATOM 941 CB PHE A 63 -6.716 -2.521 0.113 1.00 0.00 C ATOM 942 CG PHE A 63 -7.419 -3.368 1.154 1.00 0.00 C ATOM 943 CD1 PHE A 63 -6.687 -4.242 1.982 1.00 0.00 C ATOM 944 CD2 PHE A 63 -8.806 -3.236 1.337 1.00 0.00 C ATOM 945 CE1 PHE A 63 -7.347 -4.985 2.977 1.00 0.00 C ATOM 946 CE2 PHE A 63 -9.457 -3.943 2.360 1.00 0.00 C ATOM 947 CZ PHE A 63 -8.730 -4.824 3.179 1.00 0.00 C ATOM 0 H PHE A 63 -4.588 -4.081 -1.086 1.00 0.00 H new ATOM 0 HA PHE A 63 -7.421 -3.578 -1.628 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -5.756 -2.200 0.517 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -7.306 -1.621 -0.059 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -5.619 -4.341 1.853 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -9.374 -2.587 0.687 1.00 0.00 H new ATOM 0 HE1 PHE A 63 -6.791 -5.681 3.588 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -10.517 -3.810 2.518 1.00 0.00 H new ATOM 0 HZ PHE A 63 -9.231 -5.375 3.961 1.00 0.00 H new ATOM 957 N PRO A 64 -6.661 -1.550 -3.075 1.00 0.00 N ATOM 958 CA PRO A 64 -6.178 -0.478 -3.935 1.00 0.00 C ATOM 959 C PRO A 64 -5.671 0.702 -3.098 1.00 0.00 C ATOM 960 O PRO A 64 -6.395 1.205 -2.238 1.00 0.00 O ATOM 961 CB PRO A 64 -7.364 -0.061 -4.811 1.00 0.00 C ATOM 962 CG PRO A 64 -8.543 -0.960 -4.437 1.00 0.00 C ATOM 963 CD PRO A 64 -8.102 -1.723 -3.195 1.00 0.00 C ATOM 0 HA PRO A 64 -5.339 -0.809 -4.547 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -7.613 0.987 -4.647 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -7.118 -0.169 -5.867 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -9.437 -0.370 -4.237 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -8.788 -1.643 -5.250 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -8.611 -1.343 -2.309 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -8.357 -2.779 -3.281 1.00 0.00 H new ATOM 971 N TYR A 65 -4.459 1.195 -3.368 1.00 0.00 N ATOM 972 CA TYR A 65 -3.888 2.332 -2.647 1.00 0.00 C ATOM 973 C TYR A 65 -4.837 3.528 -2.658 1.00 0.00 C ATOM 974 O TYR A 65 -5.179 4.033 -1.595 1.00 0.00 O ATOM 975 CB TYR A 65 -2.541 2.728 -3.251 1.00 0.00 C ATOM 976 CG TYR A 65 -2.013 4.080 -2.827 1.00 0.00 C ATOM 977 CD1 TYR A 65 -1.501 4.300 -1.533 1.00 0.00 C ATOM 978 CD2 TYR A 65 -2.023 5.122 -3.767 1.00 0.00 C ATOM 979 CE1 TYR A 65 -1.004 5.569 -1.179 1.00 0.00 C ATOM 980 CE2 TYR A 65 -1.531 6.384 -3.422 1.00 0.00 C ATOM 981 CZ TYR A 65 -1.018 6.622 -2.126 1.00 0.00 C ATOM 982 OH TYR A 65 -0.462 7.835 -1.873 1.00 0.00 O ATOM 0 H TYR A 65 -3.848 0.817 -4.092 1.00 0.00 H new ATOM 0 HA TYR A 65 -3.737 2.026 -1.612 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -1.805 1.969 -2.984 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -2.631 2.716 -4.337 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -1.490 3.495 -0.813 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -2.412 4.948 -4.759 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -0.613 5.739 -0.187 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -1.543 7.182 -4.150 1.00 0.00 H new ATOM 0 HH TYR A 65 -0.164 7.870 -0.940 1.00 0.00 H new ATOM 992 N LYS A 66 -5.277 3.985 -3.835 1.00 0.00 N ATOM 993 CA LYS A 66 -5.965 5.270 -3.970 1.00 0.00 C ATOM 994 C LYS A 66 -7.327 5.301 -3.284 1.00 0.00 C ATOM 995 O LYS A 66 -7.889 6.381 -3.125 1.00 0.00 O ATOM 996 CB LYS A 66 -6.083 5.651 -5.454 1.00 0.00 C ATOM 997 CG LYS A 66 -4.713 6.047 -6.026 1.00 0.00 C ATOM 998 CD LYS A 66 -4.752 7.049 -7.186 1.00 0.00 C ATOM 999 CE LYS A 66 -5.361 6.526 -8.488 1.00 0.00 C ATOM 1000 NZ LYS A 66 -5.197 7.534 -9.559 1.00 0.00 N ATOM 0 H LYS A 66 -5.167 3.478 -4.713 1.00 0.00 H new ATOM 0 HA LYS A 66 -5.356 6.012 -3.454 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -6.489 4.812 -6.018 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -6.783 6.479 -5.567 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -4.111 6.470 -5.222 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -4.204 5.144 -6.364 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -5.317 7.925 -6.867 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -3.734 7.382 -7.390 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -4.877 5.593 -8.777 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -6.418 6.305 -8.343 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -5.613 7.174 -10.442 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -5.678 8.414 -9.284 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -4.185 7.724 -9.705 1.00 0.00 H new ATOM 1014 N GLU A 67 -7.869 4.155 -2.896 1.00 0.00 N ATOM 1015 CA GLU A 67 -9.114 4.030 -2.146 1.00 0.00 C ATOM 1016 C GLU A 67 -8.865 4.022 -0.625 1.00 0.00 C ATOM 1017 O GLU A 67 -9.731 4.455 0.138 1.00 0.00 O ATOM 1018 CB GLU A 67 -9.825 2.760 -2.654 1.00 0.00 C ATOM 1019 CG GLU A 67 -10.787 3.088 -3.808 1.00 0.00 C ATOM 1020 CD GLU A 67 -10.706 2.074 -4.962 1.00 0.00 C ATOM 1021 OE1 GLU A 67 -9.791 2.204 -5.801 1.00 0.00 O ATOM 1022 OE2 GLU A 67 -11.583 1.187 -5.018 1.00 0.00 O ATOM 0 H GLU A 67 -7.439 3.253 -3.102 1.00 0.00 H new ATOM 0 HA GLU A 67 -9.758 4.894 -2.312 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -9.084 2.034 -2.989 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -10.377 2.297 -1.836 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -11.808 3.116 -3.427 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -10.562 4.084 -4.190 1.00 0.00 H new ATOM 1029 N TYR A 68 -7.681 3.602 -0.171 1.00 0.00 N ATOM 1030 CA TYR A 68 -7.320 3.418 1.241 1.00 0.00 C ATOM 1031 C TYR A 68 -6.159 4.319 1.689 1.00 0.00 C ATOM 1032 O TYR A 68 -5.611 4.145 2.782 1.00 0.00 O ATOM 1033 CB TYR A 68 -7.051 1.937 1.485 1.00 0.00 C ATOM 1034 CG TYR A 68 -8.311 1.106 1.367 1.00 0.00 C ATOM 1035 CD1 TYR A 68 -8.772 0.676 0.114 1.00 0.00 C ATOM 1036 CD2 TYR A 68 -9.079 0.840 2.508 1.00 0.00 C ATOM 1037 CE1 TYR A 68 -9.977 -0.031 -0.006 1.00 0.00 C ATOM 1038 CE2 TYR A 68 -10.286 0.134 2.397 1.00 0.00 C ATOM 1039 CZ TYR A 68 -10.747 -0.311 1.144 1.00 0.00 C ATOM 1040 OH TYR A 68 -11.906 -1.024 1.101 1.00 0.00 O ATOM 0 H TYR A 68 -6.914 3.371 -0.802 1.00 0.00 H new ATOM 0 HA TYR A 68 -8.157 3.735 1.863 1.00 0.00 H new ATOM 0 HB2 TYR A 68 -6.312 1.580 0.768 1.00 0.00 H new ATOM 0 HB3 TYR A 68 -6.621 1.805 2.478 1.00 0.00 H new ATOM 0 HD1 TYR A 68 -8.191 0.892 -0.770 1.00 0.00 H new ATOM 0 HD2 TYR A 68 -8.741 1.179 3.476 1.00 0.00 H new ATOM 0 HE1 TYR A 68 -10.316 -0.361 -0.977 1.00 0.00 H new ATOM 0 HE2 TYR A 68 -10.868 -0.070 3.283 1.00 0.00 H new ATOM 0 HH TYR A 68 -12.276 -1.102 2.005 1.00 0.00 H new ATOM 1050 N LYS A 69 -5.801 5.304 0.863 1.00 0.00 N ATOM 1051 CA LYS A 69 -4.693 6.232 0.992 1.00 0.00 C ATOM 1052 C LYS A 69 -4.714 7.015 2.308 1.00 0.00 C ATOM 1053 O LYS A 69 -3.666 7.493 2.731 1.00 0.00 O ATOM 1054 CB LYS A 69 -4.776 7.122 -0.265 1.00 0.00 C ATOM 1055 CG LYS A 69 -3.863 8.340 -0.222 1.00 0.00 C ATOM 1056 CD LYS A 69 -4.008 9.222 -1.471 1.00 0.00 C ATOM 1057 CE LYS A 69 -2.765 10.077 -1.750 1.00 0.00 C ATOM 1058 NZ LYS A 69 -2.328 10.919 -0.617 1.00 0.00 N ATOM 0 H LYS A 69 -6.333 5.482 0.011 1.00 0.00 H new ATOM 0 HA LYS A 69 -3.735 5.715 1.043 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -4.524 6.522 -1.140 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -5.805 7.457 -0.394 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -4.091 8.931 0.665 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -2.828 8.012 -0.130 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -4.207 8.588 -2.335 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -4.872 9.876 -1.349 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -1.944 9.419 -2.034 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -2.968 10.720 -2.606 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -1.495 11.474 -0.898 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -3.098 11.564 -0.346 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -2.083 10.313 0.192 1.00 0.00 H new ATOM 1072 N ASP A 70 -5.854 7.118 2.987 1.00 0.00 N ATOM 1073 CA ASP A 70 -5.947 7.731 4.310 1.00 0.00 C ATOM 1074 C ASP A 70 -6.414 6.703 5.336 1.00 0.00 C ATOM 1075 O ASP A 70 -5.982 6.723 6.490 1.00 0.00 O ATOM 1076 CB ASP A 70 -6.916 8.910 4.275 1.00 0.00 C ATOM 1077 CG ASP A 70 -6.440 10.046 3.380 1.00 0.00 C ATOM 1078 OD1 ASP A 70 -5.291 10.522 3.529 1.00 0.00 O ATOM 1079 OD2 ASP A 70 -7.242 10.452 2.506 1.00 0.00 O ATOM 0 H ASP A 70 -6.747 6.776 2.632 1.00 0.00 H new ATOM 0 HA ASP A 70 -4.960 8.092 4.598 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -7.889 8.563 3.926 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -7.057 9.288 5.288 1.00 0.00 H new ATOM 1084 N LYS A 71 -7.290 5.775 4.930 1.00 0.00 N ATOM 1085 CA LYS A 71 -7.844 4.771 5.834 1.00 0.00 C ATOM 1086 C LYS A 71 -6.744 3.882 6.407 1.00 0.00 C ATOM 1087 O LYS A 71 -6.819 3.499 7.577 1.00 0.00 O ATOM 1088 CB LYS A 71 -8.900 3.951 5.082 1.00 0.00 C ATOM 1089 CG LYS A 71 -9.705 3.065 6.042 1.00 0.00 C ATOM 1090 CD LYS A 71 -10.826 2.322 5.310 1.00 0.00 C ATOM 1091 CE LYS A 71 -12.003 2.014 6.234 1.00 0.00 C ATOM 1092 NZ LYS A 71 -11.670 0.956 7.202 1.00 0.00 N ATOM 0 H LYS A 71 -7.630 5.703 3.971 1.00 0.00 H new ATOM 0 HA LYS A 71 -8.319 5.267 6.681 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -9.575 4.622 4.551 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -8.413 3.329 4.331 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -9.040 2.345 6.519 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -10.131 3.679 6.835 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -11.172 2.924 4.470 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -10.436 1.392 4.897 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -12.293 2.919 6.768 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -12.863 1.706 5.639 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -12.492 0.773 7.813 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -11.417 0.086 6.692 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -10.865 1.261 7.786 1.00 0.00 H new ATOM 1106 N PHE A 72 -5.745 3.547 5.591 1.00 0.00 N ATOM 1107 CA PHE A 72 -4.603 2.710 5.935 1.00 0.00 C ATOM 1108 C PHE A 72 -3.321 3.536 5.850 1.00 0.00 C ATOM 1109 O PHE A 72 -2.430 3.369 6.688 1.00 0.00 O ATOM 1110 CB PHE A 72 -4.564 1.494 4.994 1.00 0.00 C ATOM 1111 CG PHE A 72 -5.767 0.562 5.056 1.00 0.00 C ATOM 1112 CD1 PHE A 72 -6.638 0.519 6.166 1.00 0.00 C ATOM 1113 CD2 PHE A 72 -6.030 -0.272 3.957 1.00 0.00 C ATOM 1114 CE1 PHE A 72 -7.775 -0.305 6.156 1.00 0.00 C ATOM 1115 CE2 PHE A 72 -7.134 -1.138 3.975 1.00 0.00 C ATOM 1116 CZ PHE A 72 -8.009 -1.160 5.069 1.00 0.00 C ATOM 0 H PHE A 72 -5.712 3.870 4.624 1.00 0.00 H new ATOM 0 HA PHE A 72 -4.695 2.343 6.957 1.00 0.00 H new ATOM 0 HB2 PHE A 72 -4.462 1.855 3.971 1.00 0.00 H new ATOM 0 HB3 PHE A 72 -3.669 0.914 5.219 1.00 0.00 H new ATOM 0 HD1 PHE A 72 -6.427 1.127 7.033 1.00 0.00 H new ATOM 0 HD2 PHE A 72 -5.380 -0.247 3.095 1.00 0.00 H new ATOM 0 HE1 PHE A 72 -8.468 -0.280 6.984 1.00 0.00 H new ATOM 0 HE2 PHE A 72 -7.311 -1.795 3.136 1.00 0.00 H new ATOM 0 HZ PHE A 72 -8.856 -1.830 5.075 1.00 0.00 H new ATOM 1126 N GLY A 73 -3.249 4.462 4.890 1.00 0.00 N ATOM 1127 CA GLY A 73 -2.182 5.442 4.768 1.00 0.00 C ATOM 1128 C GLY A 73 -2.300 6.461 5.899 1.00 0.00 C ATOM 1129 O GLY A 73 -2.964 7.489 5.768 1.00 0.00 O ATOM 0 H GLY A 73 -3.955 4.548 4.158 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -1.212 4.947 4.809 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -2.243 5.944 3.803 1.00 0.00 H new ATOM 1133 N LYS A 74 -1.719 6.144 7.050 1.00 0.00 N ATOM 1134 CA LYS A 74 -1.578 6.991 8.213 1.00 0.00 C ATOM 1135 C LYS A 74 -0.308 6.544 8.941 1.00 0.00 C ATOM 1136 O LYS A 74 0.423 5.692 8.428 1.00 0.00 O ATOM 1137 CB LYS A 74 -2.857 6.897 9.054 1.00 0.00 C ATOM 1138 CG LYS A 74 -3.028 5.565 9.788 1.00 0.00 C ATOM 1139 CD LYS A 74 -4.329 5.502 10.590 1.00 0.00 C ATOM 1140 CE LYS A 74 -5.400 4.888 9.691 1.00 0.00 C ATOM 1141 NZ LYS A 74 -6.723 4.839 10.331 1.00 0.00 N ATOM 0 H LYS A 74 -1.308 5.223 7.198 1.00 0.00 H new ATOM 0 HA LYS A 74 -1.464 8.047 7.966 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -2.858 7.705 9.786 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -3.718 7.054 8.404 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -3.011 4.750 9.064 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -2.183 5.413 10.460 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -4.195 4.902 11.490 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -4.627 6.499 10.914 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -5.469 5.466 8.769 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -5.099 3.878 9.413 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -7.398 4.368 9.696 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -6.658 4.308 11.223 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -7.050 5.807 10.527 1.00 0.00 H new ATOM 1155 N SER A 75 -0.013 7.085 10.116 1.00 0.00 N ATOM 1156 CA SER A 75 1.130 6.705 10.911 1.00 0.00 C ATOM 1157 C SER A 75 0.764 5.454 11.719 1.00 0.00 C ATOM 1158 O SER A 75 -0.371 5.263 12.172 1.00 0.00 O ATOM 1159 CB SER A 75 1.559 7.892 11.794 1.00 0.00 C ATOM 1160 OG SER A 75 1.317 9.146 11.155 1.00 0.00 O ATOM 0 H SER A 75 -0.580 7.816 10.546 1.00 0.00 H new ATOM 0 HA SER A 75 1.987 6.456 10.285 1.00 0.00 H new ATOM 0 HB2 SER A 75 1.017 7.856 12.739 1.00 0.00 H new ATOM 0 HB3 SER A 75 2.619 7.804 12.031 1.00 0.00 H new ATOM 0 HG SER A 75 1.600 9.874 11.746 1.00 0.00 H new ATOM 1166 N ASN A 76 1.748 4.594 11.929 1.00 0.00 N ATOM 1167 CA ASN A 76 1.695 3.435 12.818 1.00 0.00 C ATOM 1168 C ASN A 76 3.094 3.242 13.385 1.00 0.00 C ATOM 1169 O ASN A 76 4.073 3.320 12.644 1.00 0.00 O ATOM 1170 CB ASN A 76 1.258 2.170 12.067 1.00 0.00 C ATOM 1171 CG ASN A 76 0.880 1.057 13.031 1.00 0.00 C ATOM 1172 OD1 ASN A 76 1.708 0.579 13.797 1.00 0.00 O ATOM 1173 ND2 ASN A 76 -0.367 0.623 13.017 1.00 0.00 N ATOM 0 H ASN A 76 2.651 4.686 11.463 1.00 0.00 H new ATOM 0 HA ASN A 76 0.964 3.607 13.608 1.00 0.00 H new ATOM 0 HB2 ASN A 76 0.408 2.401 11.425 1.00 0.00 H new ATOM 0 HB3 ASN A 76 2.066 1.833 11.418 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -0.655 -0.122 13.651 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -1.043 1.033 12.372 1.00 0.00 H new ATOM 1180 N LYS A 77 3.216 3.005 14.690 1.00 0.00 N ATOM 1181 CA LYS A 77 4.509 3.021 15.369 1.00 0.00 C ATOM 1182 C LYS A 77 5.291 1.712 15.259 1.00 0.00 C ATOM 1183 O LYS A 77 6.213 1.513 16.048 1.00 0.00 O ATOM 1184 CB LYS A 77 4.345 3.477 16.826 1.00 0.00 C ATOM 1185 CG LYS A 77 3.872 4.940 16.894 1.00 0.00 C ATOM 1186 CD LYS A 77 4.229 5.588 18.235 1.00 0.00 C ATOM 1187 CE LYS A 77 5.727 5.914 18.283 1.00 0.00 C ATOM 1188 NZ LYS A 77 6.250 5.927 19.659 1.00 0.00 N ATOM 0 H LYS A 77 2.427 2.798 15.302 1.00 0.00 H new ATOM 0 HA LYS A 77 5.124 3.751 14.842 1.00 0.00 H new ATOM 0 HB2 LYS A 77 3.626 2.834 17.334 1.00 0.00 H new ATOM 0 HB3 LYS A 77 5.293 3.372 17.353 1.00 0.00 H new ATOM 0 HG2 LYS A 77 4.327 5.508 16.083 1.00 0.00 H new ATOM 0 HG3 LYS A 77 2.793 4.981 16.746 1.00 0.00 H new ATOM 0 HD2 LYS A 77 3.646 6.499 18.374 1.00 0.00 H new ATOM 0 HD3 LYS A 77 3.969 4.916 19.053 1.00 0.00 H new ATOM 0 HE2 LYS A 77 6.276 5.179 17.695 1.00 0.00 H new ATOM 0 HE3 LYS A 77 5.900 6.886 17.821 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 7.265 6.152 19.642 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 5.745 6.646 20.215 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 6.109 4.992 20.093 1.00 0.00 H new ATOM 1202 N ARG A 78 5.030 0.817 14.302 1.00 0.00 N ATOM 1203 CA ARG A 78 6.033 -0.220 14.008 1.00 0.00 C ATOM 1204 C ARG A 78 7.339 0.462 13.587 1.00 0.00 C ATOM 1205 O ARG A 78 7.319 1.599 13.108 1.00 0.00 O ATOM 1206 CB ARG A 78 5.542 -1.200 12.927 1.00 0.00 C ATOM 1207 CG ARG A 78 4.247 -1.932 13.299 1.00 0.00 C ATOM 1208 CD ARG A 78 4.408 -2.877 14.495 1.00 0.00 C ATOM 1209 NE ARG A 78 3.176 -2.930 15.299 1.00 0.00 N ATOM 1210 CZ ARG A 78 2.911 -2.173 16.375 1.00 0.00 C ATOM 1211 NH1 ARG A 78 3.747 -1.221 16.777 1.00 0.00 N ATOM 1212 NH2 ARG A 78 1.793 -2.376 17.056 1.00 0.00 N ATOM 0 H ARG A 78 4.179 0.783 13.741 1.00 0.00 H new ATOM 0 HA ARG A 78 6.204 -0.813 14.907 1.00 0.00 H new ATOM 0 HB2 ARG A 78 5.385 -0.653 11.998 1.00 0.00 H new ATOM 0 HB3 ARG A 78 6.323 -1.936 12.735 1.00 0.00 H new ATOM 0 HG2 ARG A 78 3.475 -1.197 13.527 1.00 0.00 H new ATOM 0 HG3 ARG A 78 3.900 -2.503 12.438 1.00 0.00 H new ATOM 0 HD2 ARG A 78 4.658 -3.877 14.141 1.00 0.00 H new ATOM 0 HD3 ARG A 78 5.238 -2.542 15.117 1.00 0.00 H new ATOM 0 HE ARG A 78 2.462 -3.600 15.014 1.00 0.00 H new ATOM 0 HH11 ARG A 78 4.613 -1.053 16.264 1.00 0.00 H new ATOM 0 HH12 ARG A 78 3.523 -0.659 17.598 1.00 0.00 H new ATOM 0 HH21 ARG A 78 1.141 -3.103 16.761 1.00 0.00 H new ATOM 0 HH22 ARG A 78 1.584 -1.805 17.875 1.00 0.00 H new ATOM 1226 N LYS A 79 8.474 -0.217 13.757 1.00 0.00 N ATOM 1227 CA LYS A 79 9.699 0.139 13.039 1.00 0.00 C ATOM 1228 C LYS A 79 9.490 -0.242 11.565 1.00 0.00 C ATOM 1229 O LYS A 79 8.557 -0.982 11.256 1.00 0.00 O ATOM 1230 CB LYS A 79 10.872 -0.579 13.725 1.00 0.00 C ATOM 1231 CG LYS A 79 12.272 -0.339 13.120 1.00 0.00 C ATOM 1232 CD LYS A 79 13.304 0.052 14.184 1.00 0.00 C ATOM 1233 CE LYS A 79 13.118 1.532 14.526 1.00 0.00 C ATOM 1234 NZ LYS A 79 13.772 1.902 15.793 1.00 0.00 N ATOM 0 H LYS A 79 8.571 -1.015 14.384 1.00 0.00 H new ATOM 0 HA LYS A 79 9.932 1.204 13.064 1.00 0.00 H new ATOM 0 HB2 LYS A 79 10.895 -0.273 14.771 1.00 0.00 H new ATOM 0 HB3 LYS A 79 10.672 -1.650 13.710 1.00 0.00 H new ATOM 0 HG2 LYS A 79 12.605 -1.242 12.609 1.00 0.00 H new ATOM 0 HG3 LYS A 79 12.211 0.448 12.369 1.00 0.00 H new ATOM 0 HD2 LYS A 79 13.178 -0.561 15.076 1.00 0.00 H new ATOM 0 HD3 LYS A 79 14.314 -0.127 13.815 1.00 0.00 H new ATOM 0 HE2 LYS A 79 13.524 2.142 13.719 1.00 0.00 H new ATOM 0 HE3 LYS A 79 12.053 1.756 14.591 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 13.618 2.913 15.981 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 13.368 1.340 16.569 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 14.793 1.714 15.725 1.00 0.00 H new ATOM 1248 N GLY A 80 10.289 0.312 10.656 1.00 0.00 N ATOM 1249 CA GLY A 80 10.274 0.058 9.221 1.00 0.00 C ATOM 1250 C GLY A 80 9.074 0.626 8.461 1.00 0.00 C ATOM 1251 O GLY A 80 9.204 0.974 7.287 1.00 0.00 O ATOM 0 H GLY A 80 11.005 0.989 10.919 1.00 0.00 H new ATOM 0 HA2 GLY A 80 11.185 0.472 8.788 1.00 0.00 H new ATOM 0 HA3 GLY A 80 10.306 -1.020 9.061 1.00 0.00 H new ATOM 1255 N PHE A 81 7.916 0.715 9.105 1.00 0.00 N ATOM 1256 CA PHE A 81 6.656 1.172 8.552 1.00 0.00 C ATOM 1257 C PHE A 81 6.802 2.575 7.973 1.00 0.00 C ATOM 1258 O PHE A 81 6.584 2.767 6.785 1.00 0.00 O ATOM 1259 CB PHE A 81 5.601 1.077 9.661 1.00 0.00 C ATOM 1260 CG PHE A 81 4.184 1.417 9.256 1.00 0.00 C ATOM 1261 CD1 PHE A 81 3.377 0.441 8.644 1.00 0.00 C ATOM 1262 CD2 PHE A 81 3.666 2.703 9.493 1.00 0.00 C ATOM 1263 CE1 PHE A 81 2.055 0.738 8.273 1.00 0.00 C ATOM 1264 CE2 PHE A 81 2.355 3.011 9.089 1.00 0.00 C ATOM 1265 CZ PHE A 81 1.546 2.029 8.489 1.00 0.00 C ATOM 0 H PHE A 81 7.832 0.453 10.087 1.00 0.00 H new ATOM 0 HA PHE A 81 6.337 0.547 7.718 1.00 0.00 H new ATOM 0 HB2 PHE A 81 5.611 0.062 10.059 1.00 0.00 H new ATOM 0 HB3 PHE A 81 5.895 1.741 10.474 1.00 0.00 H new ATOM 0 HD1 PHE A 81 3.777 -0.545 8.458 1.00 0.00 H new ATOM 0 HD2 PHE A 81 4.272 3.450 9.983 1.00 0.00 H new ATOM 0 HE1 PHE A 81 1.433 -0.022 7.824 1.00 0.00 H new ATOM 0 HE2 PHE A 81 1.967 4.007 9.240 1.00 0.00 H new ATOM 0 HZ PHE A 81 0.535 2.268 8.195 1.00 0.00 H new ATOM 1275 N ASN A 82 7.162 3.570 8.786 1.00 0.00 N ATOM 1276 CA ASN A 82 7.155 4.975 8.390 1.00 0.00 C ATOM 1277 C ASN A 82 8.095 5.248 7.211 1.00 0.00 C ATOM 1278 O ASN A 82 7.772 6.082 6.367 1.00 0.00 O ATOM 1279 CB ASN A 82 7.500 5.852 9.613 1.00 0.00 C ATOM 1280 CG ASN A 82 6.549 7.012 9.876 1.00 0.00 C ATOM 1281 OD1 ASN A 82 6.933 7.992 10.503 1.00 0.00 O ATOM 1282 ND2 ASN A 82 5.272 6.921 9.552 1.00 0.00 N ATOM 0 H ASN A 82 7.469 3.419 9.747 1.00 0.00 H new ATOM 0 HA ASN A 82 6.155 5.232 8.041 1.00 0.00 H new ATOM 0 HB2 ASN A 82 7.524 5.217 10.499 1.00 0.00 H new ATOM 0 HB3 ASN A 82 8.505 6.252 9.480 1.00 0.00 H new ATOM 0 HD21 ASN A 82 4.623 7.660 9.824 1.00 0.00 H new ATOM 0 HD22 ASN A 82 4.935 6.112 9.030 1.00 0.00 H new ATOM 1289 N GLU A 83 9.205 4.511 7.133 1.00 0.00 N ATOM 1290 CA GLU A 83 10.112 4.463 5.987 1.00 0.00 C ATOM 1291 C GLU A 83 9.355 4.006 4.739 1.00 0.00 C ATOM 1292 O GLU A 83 9.329 4.726 3.742 1.00 0.00 O ATOM 1293 CB GLU A 83 11.275 3.505 6.312 1.00 0.00 C ATOM 1294 CG GLU A 83 12.539 4.248 6.764 1.00 0.00 C ATOM 1295 CD GLU A 83 13.574 4.490 5.654 1.00 0.00 C ATOM 1296 OE1 GLU A 83 13.289 4.313 4.446 1.00 0.00 O ATOM 1297 OE2 GLU A 83 14.730 4.806 6.027 1.00 0.00 O ATOM 0 H GLU A 83 9.508 3.908 7.898 1.00 0.00 H new ATOM 0 HA GLU A 83 10.515 5.456 5.787 1.00 0.00 H new ATOM 0 HB2 GLU A 83 10.964 2.814 7.095 1.00 0.00 H new ATOM 0 HB3 GLU A 83 11.505 2.906 5.431 1.00 0.00 H new ATOM 0 HG2 GLU A 83 12.247 5.210 7.186 1.00 0.00 H new ATOM 0 HG3 GLU A 83 13.012 3.679 7.565 1.00 0.00 H new ATOM 1304 N GLY A 84 8.712 2.837 4.805 1.00 0.00 N ATOM 1305 CA GLY A 84 7.952 2.285 3.693 1.00 0.00 C ATOM 1306 C GLY A 84 6.804 3.191 3.258 1.00 0.00 C ATOM 1307 O GLY A 84 6.471 3.230 2.075 1.00 0.00 O ATOM 0 H GLY A 84 8.707 2.248 5.638 1.00 0.00 H new ATOM 0 HA2 GLY A 84 8.620 2.120 2.848 1.00 0.00 H new ATOM 0 HA3 GLY A 84 7.553 1.312 3.978 1.00 0.00 H new ATOM 1311 N LEU A 85 6.194 3.933 4.188 1.00 0.00 N ATOM 1312 CA LEU A 85 5.146 4.879 3.868 1.00 0.00 C ATOM 1313 C LEU A 85 5.682 6.064 3.074 1.00 0.00 C ATOM 1314 O LEU A 85 5.055 6.433 2.089 1.00 0.00 O ATOM 1315 CB LEU A 85 4.448 5.360 5.140 1.00 0.00 C ATOM 1316 CG LEU A 85 3.280 4.478 5.601 1.00 0.00 C ATOM 1317 CD1 LEU A 85 2.080 4.499 4.647 1.00 0.00 C ATOM 1318 CD2 LEU A 85 3.690 3.089 6.076 1.00 0.00 C ATOM 0 H LEU A 85 6.421 3.887 5.181 1.00 0.00 H new ATOM 0 HA LEU A 85 4.418 4.363 3.242 1.00 0.00 H new ATOM 0 HB2 LEU A 85 5.183 5.416 5.943 1.00 0.00 H new ATOM 0 HB3 LEU A 85 4.079 6.372 4.975 1.00 0.00 H new ATOM 0 HG LEU A 85 2.913 4.957 6.508 1.00 0.00 H new ATOM 0 HD11 LEU A 85 1.294 3.853 5.037 1.00 0.00 H new ATOM 0 HD12 LEU A 85 1.703 5.518 4.559 1.00 0.00 H new ATOM 0 HD13 LEU A 85 2.389 4.141 3.665 1.00 0.00 H new ATOM 0 HD21 LEU A 85 2.804 2.533 6.383 1.00 0.00 H new ATOM 0 HD22 LEU A 85 4.187 2.559 5.264 1.00 0.00 H new ATOM 0 HD23 LEU A 85 4.372 3.180 6.921 1.00 0.00 H new ATOM 1330 N TRP A 86 6.819 6.649 3.468 1.00 0.00 N ATOM 1331 CA TRP A 86 7.448 7.688 2.655 1.00 0.00 C ATOM 1332 C TRP A 86 7.722 7.124 1.260 1.00 0.00 C ATOM 1333 O TRP A 86 7.468 7.796 0.257 1.00 0.00 O ATOM 1334 CB TRP A 86 8.706 8.232 3.348 1.00 0.00 C ATOM 1335 CG TRP A 86 9.359 9.389 2.655 1.00 0.00 C ATOM 1336 CD1 TRP A 86 9.220 10.700 2.957 1.00 0.00 C ATOM 1337 CD2 TRP A 86 10.243 9.346 1.501 1.00 0.00 C ATOM 1338 NE1 TRP A 86 9.949 11.459 2.060 1.00 0.00 N ATOM 1339 CE2 TRP A 86 10.610 10.674 1.141 1.00 0.00 C ATOM 1340 CE3 TRP A 86 10.750 8.297 0.722 1.00 0.00 C ATOM 1341 CZ2 TRP A 86 11.449 10.944 0.048 1.00 0.00 C ATOM 1342 CZ3 TRP A 86 11.568 8.548 -0.392 1.00 0.00 C ATOM 1343 CH2 TRP A 86 11.922 9.869 -0.726 1.00 0.00 C ATOM 0 H TRP A 86 7.313 6.423 4.331 1.00 0.00 H new ATOM 0 HA TRP A 86 6.780 8.542 2.543 1.00 0.00 H new ATOM 0 HB2 TRP A 86 8.442 8.536 4.361 1.00 0.00 H new ATOM 0 HB3 TRP A 86 9.432 7.424 3.437 1.00 0.00 H new ATOM 0 HD1 TRP A 86 8.631 11.093 3.772 1.00 0.00 H new ATOM 0 HE1 TRP A 86 9.992 12.478 2.077 1.00 0.00 H new ATOM 0 HE3 TRP A 86 10.507 7.277 0.983 1.00 0.00 H new ATOM 0 HZ2 TRP A 86 11.726 11.959 -0.194 1.00 0.00 H new ATOM 0 HZ3 TRP A 86 11.926 7.726 -0.994 1.00 0.00 H new ATOM 0 HH2 TRP A 86 12.558 10.057 -1.578 1.00 0.00 H new ATOM 1354 N GLU A 87 8.200 5.881 1.193 1.00 0.00 N ATOM 1355 CA GLU A 87 8.553 5.235 -0.052 1.00 0.00 C ATOM 1356 C GLU A 87 7.354 5.073 -0.986 1.00 0.00 C ATOM 1357 O GLU A 87 7.493 5.401 -2.166 1.00 0.00 O ATOM 1358 CB GLU A 87 9.233 3.888 0.228 1.00 0.00 C ATOM 1359 CG GLU A 87 10.655 3.884 -0.334 1.00 0.00 C ATOM 1360 CD GLU A 87 11.220 2.468 -0.447 1.00 0.00 C ATOM 1361 OE1 GLU A 87 11.083 1.667 0.510 1.00 0.00 O ATOM 1362 OE2 GLU A 87 11.764 2.156 -1.531 1.00 0.00 O ATOM 0 H GLU A 87 8.351 5.296 2.015 1.00 0.00 H new ATOM 0 HA GLU A 87 9.259 5.882 -0.573 1.00 0.00 H new ATOM 0 HB2 GLU A 87 9.259 3.702 1.302 1.00 0.00 H new ATOM 0 HB3 GLU A 87 8.655 3.081 -0.222 1.00 0.00 H new ATOM 0 HG2 GLU A 87 10.658 4.355 -1.317 1.00 0.00 H new ATOM 0 HG3 GLU A 87 11.301 4.482 0.309 1.00 0.00 H new ATOM 1369 N ILE A 88 6.209 4.566 -0.505 1.00 0.00 N ATOM 1370 CA ILE A 88 5.047 4.340 -1.365 1.00 0.00 C ATOM 1371 C ILE A 88 4.448 5.669 -1.827 1.00 0.00 C ATOM 1372 O ILE A 88 3.965 5.767 -2.953 1.00 0.00 O ATOM 1373 CB ILE A 88 3.982 3.440 -0.691 1.00 0.00 C ATOM 1374 CG1 ILE A 88 2.994 2.952 -1.772 1.00 0.00 C ATOM 1375 CG2 ILE A 88 3.217 4.157 0.437 1.00 0.00 C ATOM 1376 CD1 ILE A 88 2.086 1.794 -1.358 1.00 0.00 C ATOM 0 H ILE A 88 6.067 4.307 0.471 1.00 0.00 H new ATOM 0 HA ILE A 88 5.395 3.800 -2.245 1.00 0.00 H new ATOM 0 HB ILE A 88 4.499 2.600 -0.227 1.00 0.00 H new ATOM 0 HG12 ILE A 88 2.368 3.792 -2.073 1.00 0.00 H new ATOM 0 HG13 ILE A 88 3.564 2.648 -2.650 1.00 0.00 H new ATOM 0 HG21 ILE A 88 2.485 3.476 0.870 1.00 0.00 H new ATOM 0 HG22 ILE A 88 3.919 4.474 1.208 1.00 0.00 H new ATOM 0 HG23 ILE A 88 2.705 5.030 0.032 1.00 0.00 H new ATOM 0 HD11 ILE A 88 1.432 1.529 -2.189 1.00 0.00 H new ATOM 0 HD12 ILE A 88 2.696 0.932 -1.087 1.00 0.00 H new ATOM 0 HD13 ILE A 88 1.482 2.094 -0.502 1.00 0.00 H new ATOM 1388 N GLU A 89 4.462 6.689 -0.968 1.00 0.00 N ATOM 1389 CA GLU A 89 3.938 8.009 -1.282 1.00 0.00 C ATOM 1390 C GLU A 89 4.721 8.551 -2.480 1.00 0.00 C ATOM 1391 O GLU A 89 4.127 8.914 -3.500 1.00 0.00 O ATOM 1392 CB GLU A 89 4.058 8.898 -0.037 1.00 0.00 C ATOM 1393 CG GLU A 89 3.074 8.507 1.078 1.00 0.00 C ATOM 1394 CD GLU A 89 1.740 9.238 0.967 1.00 0.00 C ATOM 1395 OE1 GLU A 89 0.865 8.796 0.178 1.00 0.00 O ATOM 1396 OE2 GLU A 89 1.520 10.229 1.696 1.00 0.00 O ATOM 0 H GLU A 89 4.843 6.616 -0.025 1.00 0.00 H new ATOM 0 HA GLU A 89 2.883 7.980 -1.553 1.00 0.00 H new ATOM 0 HB2 GLU A 89 5.076 8.839 0.348 1.00 0.00 H new ATOM 0 HB3 GLU A 89 3.884 9.936 -0.320 1.00 0.00 H new ATOM 0 HG2 GLU A 89 2.899 7.432 1.042 1.00 0.00 H new ATOM 0 HG3 GLU A 89 3.524 8.725 2.047 1.00 0.00 H new ATOM 1403 N ASN A 90 6.053 8.483 -2.391 1.00 0.00 N ATOM 1404 CA ASN A 90 6.982 8.908 -3.431 1.00 0.00 C ATOM 1405 C ASN A 90 7.028 7.949 -4.631 1.00 0.00 C ATOM 1406 O ASN A 90 7.628 8.274 -5.656 1.00 0.00 O ATOM 1407 CB ASN A 90 8.379 9.126 -2.828 1.00 0.00 C ATOM 1408 CG ASN A 90 8.438 10.415 -2.014 1.00 0.00 C ATOM 1409 OD1 ASN A 90 8.740 11.482 -2.541 1.00 0.00 O ATOM 1410 ND2 ASN A 90 8.110 10.377 -0.734 1.00 0.00 N ATOM 0 H ASN A 90 6.525 8.118 -1.564 1.00 0.00 H new ATOM 0 HA ASN A 90 6.613 9.854 -3.828 1.00 0.00 H new ATOM 0 HB2 ASN A 90 8.639 8.280 -2.192 1.00 0.00 H new ATOM 0 HB3 ASN A 90 9.120 9.164 -3.627 1.00 0.00 H new ATOM 0 HD21 ASN A 90 8.108 11.235 -0.182 1.00 0.00 H new ATOM 0 HD22 ASN A 90 7.859 9.490 -0.298 1.00 0.00 H new ATOM 1417 N SER A 91 6.386 6.778 -4.564 1.00 0.00 N ATOM 1418 CA SER A 91 6.370 5.791 -5.643 1.00 0.00 C ATOM 1419 C SER A 91 5.424 6.178 -6.797 1.00 0.00 C ATOM 1420 O SER A 91 5.201 5.354 -7.692 1.00 0.00 O ATOM 1421 CB SER A 91 6.019 4.406 -5.074 1.00 0.00 C ATOM 1422 OG SER A 91 6.156 3.401 -6.061 1.00 0.00 O ATOM 0 H SER A 91 5.855 6.487 -3.744 1.00 0.00 H new ATOM 0 HA SER A 91 7.370 5.760 -6.075 1.00 0.00 H new ATOM 0 HB2 SER A 91 6.669 4.181 -4.229 1.00 0.00 H new ATOM 0 HB3 SER A 91 4.996 4.413 -4.697 1.00 0.00 H new ATOM 0 HG SER A 91 5.870 3.754 -6.929 1.00 0.00 H new ATOM 1428 N GLY A 92 4.836 7.376 -6.797 1.00 0.00 N ATOM 1429 CA GLY A 92 3.864 7.812 -7.779 1.00 0.00 C ATOM 1430 C GLY A 92 4.141 9.245 -8.232 1.00 0.00 C ATOM 1431 O GLY A 92 5.059 9.896 -7.729 1.00 0.00 O ATOM 0 H GLY A 92 5.035 8.084 -6.090 1.00 0.00 H new ATOM 0 HA2 GLY A 92 3.889 7.144 -8.640 1.00 0.00 H new ATOM 0 HA3 GLY A 92 2.862 7.749 -7.355 1.00 0.00 H new ATOM 1435 N PRO A 93 3.343 9.751 -9.184 1.00 0.00 N ATOM 1436 CA PRO A 93 3.382 11.130 -9.653 1.00 0.00 C ATOM 1437 C PRO A 93 2.625 12.019 -8.655 1.00 0.00 C ATOM 1438 O PRO A 93 1.613 12.640 -8.996 1.00 0.00 O ATOM 1439 CB PRO A 93 2.760 11.057 -11.049 1.00 0.00 C ATOM 1440 CG PRO A 93 1.681 9.988 -10.878 1.00 0.00 C ATOM 1441 CD PRO A 93 2.311 9.007 -9.886 1.00 0.00 C ATOM 0 HA PRO A 93 4.375 11.575 -9.716 1.00 0.00 H new ATOM 0 HB2 PRO A 93 2.337 12.014 -11.355 1.00 0.00 H new ATOM 0 HB3 PRO A 93 3.493 10.776 -11.805 1.00 0.00 H new ATOM 0 HG2 PRO A 93 0.754 10.411 -10.492 1.00 0.00 H new ATOM 0 HG3 PRO A 93 1.441 9.504 -11.825 1.00 0.00 H new ATOM 0 HD2 PRO A 93 1.565 8.624 -9.190 1.00 0.00 H new ATOM 0 HD3 PRO A 93 2.735 8.147 -10.404 1.00 0.00 H new ATOM 1449 N SER A 94 3.049 11.982 -7.392 1.00 0.00 N ATOM 1450 CA SER A 94 2.418 12.665 -6.277 1.00 0.00 C ATOM 1451 C SER A 94 2.786 14.147 -6.339 1.00 0.00 C ATOM 1452 O SER A 94 3.936 14.506 -6.611 1.00 0.00 O ATOM 1453 CB SER A 94 2.891 12.016 -4.971 1.00 0.00 C ATOM 1454 OG SER A 94 2.692 10.612 -5.040 1.00 0.00 O ATOM 0 H SER A 94 3.875 11.453 -7.113 1.00 0.00 H new ATOM 0 HA SER A 94 1.332 12.581 -6.325 1.00 0.00 H new ATOM 0 HB2 SER A 94 3.945 12.237 -4.804 1.00 0.00 H new ATOM 0 HB3 SER A 94 2.341 12.431 -4.126 1.00 0.00 H new ATOM 0 HG SER A 94 3.277 10.166 -4.392 1.00 0.00 H new ATOM 1460 N SER A 95 1.801 15.011 -6.108 1.00 0.00 N ATOM 1461 CA SER A 95 1.947 16.458 -6.160 1.00 0.00 C ATOM 1462 C SER A 95 2.439 17.062 -4.835 1.00 0.00 C ATOM 1463 O SER A 95 2.536 18.288 -4.732 1.00 0.00 O ATOM 1464 CB SER A 95 0.594 17.040 -6.587 1.00 0.00 C ATOM 1465 OG SER A 95 0.723 18.216 -7.366 1.00 0.00 O ATOM 0 H SER A 95 0.854 14.713 -5.873 1.00 0.00 H new ATOM 0 HA SER A 95 2.720 16.717 -6.883 1.00 0.00 H new ATOM 0 HB2 SER A 95 0.045 16.291 -7.157 1.00 0.00 H new ATOM 0 HB3 SER A 95 0.002 17.261 -5.699 1.00 0.00 H new ATOM 0 HG SER A 95 -0.167 18.544 -7.612 1.00 0.00 H new ATOM 1471 N GLY A 96 2.740 16.249 -3.823 1.00 0.00 N ATOM 1472 CA GLY A 96 3.316 16.690 -2.574 1.00 0.00 C ATOM 1473 C GLY A 96 4.166 15.562 -2.065 1.00 0.00 C ATOM 1474 O GLY A 96 5.404 15.708 -2.064 1.00 0.00 O ATOM 0 H GLY A 96 2.582 15.242 -3.860 1.00 0.00 H new ATOM 0 HA2 GLY A 96 3.915 17.589 -2.721 1.00 0.00 H new ATOM 0 HA3 GLY A 96 2.535 16.940 -1.856 1.00 0.00 H new TER 1478 GLY A 96