USER MOD reduce.3.24.130724 H: found=0, std=0, add=641, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 640 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 78 ASN : amide:sc= 0.719 K(o=1.3,f=-15!) USER MOD Set 1.2: A 80 LYS NZ :NH3+ -164:sc= 0.623 (180deg=-0.83) USER MOD Set 2.1: A 4 LYS NZ :NH3+ 176:sc= 1.88 (180deg=0.616) USER MOD Set 2.2: A 10 TYR OH : rot 180:sc= 0.765 USER MOD Set 3.1: A 5 HIS : no HD1:sc= -0.127 X(o=-0.13,f=-0.4) USER MOD Set 3.2: A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 65:sc= 0.537 USER MOD Single : A 11 THR OG1 : rot -85:sc= 0.811 USER MOD Single : A 20 LYS NZ :NH3+ -143:sc= 1.27 (180deg=1.15) USER MOD Single : A 21 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0166) USER MOD Single : A 23 CYS SG : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 ASN : amide:sc= 0.977 K(o=0.98,f=-6!) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 THR OG1 : rot -156:sc= -1.25! USER MOD Single : A 46 HIS : no HD1:sc= -0.786 K(o=-0.79,f=-7.7!) USER MOD Single : A 50 SER OG : rot 180:sc= 0.0132 USER MOD Single : A 54 TYR OH : rot 180:sc= -0.171 USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 SER OG : rot -160:sc= 0.205 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 LYS NZ :NH3+ -158:sc= 1.24 (180deg=1.15) USER MOD Single : A 81 SER OG : rot 180:sc= -0.144 USER MOD Single : A 84 LYS NZ :NH3+ -173:sc=-0.00628 (180deg=-0.0966) USER MOD Single : A 85 GLN :FLIP amide:sc= -0.596 F(o=-1.6!,f=-0.6) USER MOD ----------------------------------------------------------------- ATOM 35 N LYS A 4 9.450 10.124 -4.431 1.00 0.00 N ATOM 36 CA LYS A 4 8.328 10.925 -4.020 1.00 0.00 C ATOM 37 C LYS A 4 8.669 11.643 -2.742 1.00 0.00 C ATOM 38 O LYS A 4 9.721 11.386 -2.136 1.00 0.00 O ATOM 39 CB LYS A 4 7.058 10.087 -3.761 1.00 0.00 C ATOM 40 CG LYS A 4 7.136 9.181 -2.535 1.00 0.00 C ATOM 41 CD LYS A 4 7.888 7.903 -2.808 1.00 0.00 C ATOM 42 CE LYS A 4 8.034 7.083 -1.554 1.00 0.00 C ATOM 43 NZ LYS A 4 8.470 5.699 -1.866 1.00 0.00 N ATOM 0 HA LYS A 4 8.123 11.619 -4.835 1.00 0.00 H new ATOM 0 HB2 LYS A 4 6.210 10.762 -3.645 1.00 0.00 H new ATOM 0 HB3 LYS A 4 6.858 9.473 -4.639 1.00 0.00 H new ATOM 0 HG2 LYS A 4 7.622 9.718 -1.721 1.00 0.00 H new ATOM 0 HG3 LYS A 4 6.127 8.941 -2.200 1.00 0.00 H new ATOM 0 HD2 LYS A 4 7.363 7.323 -3.567 1.00 0.00 H new ATOM 0 HD3 LYS A 4 8.874 8.136 -3.211 1.00 0.00 H new ATOM 0 HE2 LYS A 4 8.759 7.555 -0.890 1.00 0.00 H new ATOM 0 HE3 LYS A 4 7.084 7.056 -1.021 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 8.628 5.177 -0.981 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 7.734 5.221 -2.424 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 9.354 5.729 -2.413 1.00 0.00 H new ATOM 57 N HIS A 5 7.795 12.518 -2.325 1.00 0.00 N ATOM 58 CA HIS A 5 7.975 13.178 -1.053 1.00 0.00 C ATOM 59 C HIS A 5 7.010 12.596 0.004 1.00 0.00 C ATOM 60 O HIS A 5 7.215 12.784 1.207 1.00 0.00 O ATOM 61 CB HIS A 5 7.816 14.722 -1.174 1.00 0.00 C ATOM 62 CG HIS A 5 6.415 15.201 -1.418 1.00 0.00 C ATOM 63 ND1 HIS A 5 5.830 15.289 -2.654 1.00 0.00 N ATOM 64 CD2 HIS A 5 5.467 15.579 -0.531 1.00 0.00 C ATOM 65 CE1 HIS A 5 4.575 15.697 -2.490 1.00 0.00 C ATOM 66 NE2 HIS A 5 4.300 15.888 -1.212 1.00 0.00 N ATOM 0 H HIS A 5 6.957 12.791 -2.839 1.00 0.00 H new ATOM 0 HA HIS A 5 8.997 12.988 -0.724 1.00 0.00 H new ATOM 0 HB2 HIS A 5 8.186 15.183 -0.258 1.00 0.00 H new ATOM 0 HB3 HIS A 5 8.451 15.074 -1.987 1.00 0.00 H new ATOM 0 HD2 HIS A 5 5.598 15.632 0.540 1.00 0.00 H new ATOM 0 HE1 HIS A 5 3.873 15.852 -3.296 1.00 0.00 H new ATOM 0 HE2 HIS A 5 3.415 16.198 -0.811 1.00 0.00 H new ATOM 74 N SER A 6 5.955 11.879 -0.441 1.00 0.00 N ATOM 75 CA SER A 6 4.959 11.344 0.501 1.00 0.00 C ATOM 76 C SER A 6 4.037 10.316 -0.164 1.00 0.00 C ATOM 77 O SER A 6 4.180 10.031 -1.353 1.00 0.00 O ATOM 78 CB SER A 6 4.112 12.497 1.053 1.00 0.00 C ATOM 79 OG SER A 6 3.437 13.199 -0.006 1.00 0.00 O ATOM 0 H SER A 6 5.777 11.663 -1.422 1.00 0.00 H new ATOM 0 HA SER A 6 5.497 10.843 1.306 1.00 0.00 H new ATOM 0 HB2 SER A 6 3.379 12.108 1.760 1.00 0.00 H new ATOM 0 HB3 SER A 6 4.749 13.189 1.603 1.00 0.00 H new ATOM 0 HG SER A 6 2.903 13.928 0.373 1.00 0.00 H new ATOM 85 N ILE A 7 3.082 9.783 0.615 1.00 0.00 N ATOM 86 CA ILE A 7 2.078 8.843 0.104 1.00 0.00 C ATOM 87 C ILE A 7 1.083 9.583 -0.801 1.00 0.00 C ATOM 88 O ILE A 7 0.581 9.036 -1.766 1.00 0.00 O ATOM 89 CB ILE A 7 1.291 8.115 1.267 1.00 0.00 C ATOM 90 CG1 ILE A 7 0.342 7.046 0.700 1.00 0.00 C ATOM 91 CG2 ILE A 7 0.504 9.106 2.125 1.00 0.00 C ATOM 92 CD1 ILE A 7 -0.411 6.266 1.759 1.00 0.00 C ATOM 0 H ILE A 7 2.986 9.991 1.609 1.00 0.00 H new ATOM 0 HA ILE A 7 2.609 8.080 -0.465 1.00 0.00 H new ATOM 0 HB ILE A 7 2.033 7.631 1.902 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -0.377 7.528 0.038 1.00 0.00 H new ATOM 0 HG13 ILE A 7 0.918 6.349 0.091 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -0.023 8.567 2.913 1.00 0.00 H new ATOM 0 HG22 ILE A 7 1.190 9.824 2.573 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -0.218 9.634 1.502 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -1.059 5.532 1.279 1.00 0.00 H new ATOM 0 HD12 ILE A 7 0.300 5.754 2.407 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -1.016 6.950 2.353 1.00 0.00 H new ATOM 104 N SER A 8 0.867 10.861 -0.511 1.00 0.00 N ATOM 105 CA SER A 8 -0.103 11.651 -1.243 1.00 0.00 C ATOM 106 C SER A 8 0.531 12.178 -2.542 1.00 0.00 C ATOM 107 O SER A 8 -0.114 12.840 -3.366 1.00 0.00 O ATOM 108 CB SER A 8 -0.622 12.796 -0.350 1.00 0.00 C ATOM 109 OG SER A 8 -1.778 13.408 -0.896 1.00 0.00 O ATOM 0 H SER A 8 1.354 11.368 0.228 1.00 0.00 H new ATOM 0 HA SER A 8 -0.957 11.032 -1.518 1.00 0.00 H new ATOM 0 HB2 SER A 8 -0.851 12.408 0.642 1.00 0.00 H new ATOM 0 HB3 SER A 8 0.161 13.544 -0.227 1.00 0.00 H new ATOM 0 HG SER A 8 -2.515 12.762 -0.909 1.00 0.00 H new ATOM 115 N ASP A 9 1.810 11.881 -2.711 1.00 0.00 N ATOM 116 CA ASP A 9 2.529 12.223 -3.933 1.00 0.00 C ATOM 117 C ASP A 9 2.284 11.104 -4.952 1.00 0.00 C ATOM 118 O ASP A 9 2.556 11.226 -6.155 1.00 0.00 O ATOM 119 CB ASP A 9 4.017 12.381 -3.615 1.00 0.00 C ATOM 120 CG ASP A 9 4.857 13.013 -4.721 1.00 0.00 C ATOM 121 OD1 ASP A 9 4.308 13.691 -5.612 1.00 0.00 O ATOM 122 OD2 ASP A 9 6.094 12.943 -4.635 1.00 0.00 O ATOM 0 H ASP A 9 2.377 11.400 -2.013 1.00 0.00 H new ATOM 0 HA ASP A 9 2.178 13.167 -4.351 1.00 0.00 H new ATOM 0 HB2 ASP A 9 4.117 12.987 -2.714 1.00 0.00 H new ATOM 0 HB3 ASP A 9 4.429 11.398 -3.385 1.00 0.00 H new ATOM 127 N TYR A 10 1.744 10.011 -4.445 1.00 0.00 N ATOM 128 CA TYR A 10 1.333 8.893 -5.251 1.00 0.00 C ATOM 129 C TYR A 10 -0.111 9.071 -5.616 1.00 0.00 C ATOM 130 O TYR A 10 -0.914 9.581 -4.821 1.00 0.00 O ATOM 131 CB TYR A 10 1.405 7.561 -4.480 1.00 0.00 C ATOM 132 CG TYR A 10 2.754 6.918 -4.278 1.00 0.00 C ATOM 133 CD1 TYR A 10 3.634 7.355 -3.307 1.00 0.00 C ATOM 134 CD2 TYR A 10 3.119 5.812 -5.040 1.00 0.00 C ATOM 135 CE1 TYR A 10 4.829 6.721 -3.114 1.00 0.00 C ATOM 136 CE2 TYR A 10 4.318 5.166 -4.836 1.00 0.00 C ATOM 137 CZ TYR A 10 5.170 5.629 -3.872 1.00 0.00 C ATOM 138 OH TYR A 10 6.373 4.993 -3.637 1.00 0.00 O ATOM 0 H TYR A 10 1.579 9.880 -3.447 1.00 0.00 H new ATOM 0 HA TYR A 10 1.998 8.860 -6.114 1.00 0.00 H new ATOM 0 HB2 TYR A 10 0.965 7.723 -3.496 1.00 0.00 H new ATOM 0 HB3 TYR A 10 0.770 6.843 -4.999 1.00 0.00 H new ATOM 0 HD1 TYR A 10 3.375 8.206 -2.694 1.00 0.00 H new ATOM 0 HD2 TYR A 10 2.448 5.453 -5.807 1.00 0.00 H new ATOM 0 HE1 TYR A 10 5.511 7.082 -2.358 1.00 0.00 H new ATOM 0 HE2 TYR A 10 4.582 4.304 -5.430 1.00 0.00 H new ATOM 0 HH TYR A 10 6.469 4.237 -4.254 1.00 0.00 H new ATOM 148 N THR A 11 -0.450 8.700 -6.792 1.00 0.00 N ATOM 149 CA THR A 11 -1.820 8.593 -7.141 1.00 0.00 C ATOM 150 C THR A 11 -2.274 7.210 -6.720 1.00 0.00 C ATOM 151 O THR A 11 -1.412 6.355 -6.391 1.00 0.00 O ATOM 152 CB THR A 11 -2.037 8.798 -8.655 1.00 0.00 C ATOM 153 OG1 THR A 11 -1.200 7.908 -9.405 1.00 0.00 O ATOM 154 CG2 THR A 11 -1.741 10.228 -9.059 1.00 0.00 C ATOM 0 H THR A 11 0.205 8.463 -7.537 1.00 0.00 H new ATOM 0 HA THR A 11 -2.399 9.368 -6.638 1.00 0.00 H new ATOM 0 HB THR A 11 -3.083 8.582 -8.873 1.00 0.00 H new ATOM 0 HG1 THR A 11 -0.316 8.313 -9.524 1.00 0.00 H new ATOM 0 HG21 THR A 11 -1.902 10.344 -10.131 1.00 0.00 H new ATOM 0 HG22 THR A 11 -2.403 10.904 -8.517 1.00 0.00 H new ATOM 0 HG23 THR A 11 -0.705 10.467 -8.820 1.00 0.00 H new ATOM 162 N GLU A 12 -3.579 6.969 -6.706 1.00 0.00 N ATOM 163 CA GLU A 12 -4.099 5.661 -6.336 1.00 0.00 C ATOM 164 C GLU A 12 -3.454 4.586 -7.192 1.00 0.00 C ATOM 165 O GLU A 12 -2.980 3.600 -6.680 1.00 0.00 O ATOM 166 CB GLU A 12 -5.620 5.596 -6.481 1.00 0.00 C ATOM 167 CG GLU A 12 -6.192 4.201 -6.233 1.00 0.00 C ATOM 168 CD GLU A 12 -7.652 4.108 -6.546 1.00 0.00 C ATOM 169 OE1 GLU A 12 -8.049 4.391 -7.696 1.00 0.00 O ATOM 170 OE2 GLU A 12 -8.437 3.726 -5.669 1.00 0.00 O ATOM 0 H GLU A 12 -4.292 7.658 -6.945 1.00 0.00 H new ATOM 0 HA GLU A 12 -3.855 5.491 -5.287 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -6.075 6.297 -5.781 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -5.897 5.921 -7.484 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -5.648 3.477 -6.840 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -6.031 3.927 -5.190 1.00 0.00 H new ATOM 177 N ALA A 13 -3.375 4.842 -8.484 1.00 0.00 N ATOM 178 CA ALA A 13 -2.824 3.892 -9.437 1.00 0.00 C ATOM 179 C ALA A 13 -1.353 3.559 -9.149 1.00 0.00 C ATOM 180 O ALA A 13 -0.988 2.389 -9.122 1.00 0.00 O ATOM 181 CB ALA A 13 -3.001 4.400 -10.854 1.00 0.00 C ATOM 0 H ALA A 13 -3.691 5.716 -8.905 1.00 0.00 H new ATOM 0 HA ALA A 13 -3.381 2.962 -9.326 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -2.583 3.677 -11.555 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -4.062 4.535 -11.062 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -2.485 5.354 -10.966 1.00 0.00 H new ATOM 187 N GLU A 14 -0.532 4.576 -8.889 1.00 0.00 N ATOM 188 CA GLU A 14 0.913 4.370 -8.608 1.00 0.00 C ATOM 189 C GLU A 14 1.107 3.606 -7.326 1.00 0.00 C ATOM 190 O GLU A 14 2.003 2.768 -7.216 1.00 0.00 O ATOM 191 CB GLU A 14 1.635 5.698 -8.497 1.00 0.00 C ATOM 192 CG GLU A 14 1.633 6.534 -9.748 1.00 0.00 C ATOM 193 CD GLU A 14 2.077 7.930 -9.447 1.00 0.00 C ATOM 194 OE1 GLU A 14 1.259 8.704 -8.927 1.00 0.00 O ATOM 195 OE2 GLU A 14 3.242 8.280 -9.687 1.00 0.00 O ATOM 0 H GLU A 14 -0.828 5.552 -8.864 1.00 0.00 H new ATOM 0 HA GLU A 14 1.327 3.798 -9.438 1.00 0.00 H new ATOM 0 HB2 GLU A 14 1.179 6.275 -7.693 1.00 0.00 H new ATOM 0 HB3 GLU A 14 2.669 5.509 -8.207 1.00 0.00 H new ATOM 0 HG2 GLU A 14 2.294 6.088 -10.491 1.00 0.00 H new ATOM 0 HG3 GLU A 14 0.632 6.550 -10.180 1.00 0.00 H new ATOM 202 N PHE A 15 0.277 3.885 -6.365 1.00 0.00 N ATOM 203 CA PHE A 15 0.358 3.211 -5.102 1.00 0.00 C ATOM 204 C PHE A 15 -0.218 1.837 -5.243 1.00 0.00 C ATOM 205 O PHE A 15 0.198 0.930 -4.610 1.00 0.00 O ATOM 206 CB PHE A 15 -0.327 3.995 -4.006 1.00 0.00 C ATOM 207 CG PHE A 15 0.095 3.567 -2.642 1.00 0.00 C ATOM 208 CD1 PHE A 15 -0.546 2.532 -1.987 1.00 0.00 C ATOM 209 CD2 PHE A 15 1.141 4.210 -2.010 1.00 0.00 C ATOM 210 CE1 PHE A 15 -0.148 2.153 -0.735 1.00 0.00 C ATOM 211 CE2 PHE A 15 1.542 3.828 -0.757 1.00 0.00 C ATOM 212 CZ PHE A 15 0.894 2.796 -0.122 1.00 0.00 C ATOM 0 H PHE A 15 -0.468 4.578 -6.432 1.00 0.00 H new ATOM 0 HA PHE A 15 1.405 3.128 -4.809 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -0.109 5.055 -4.133 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -1.406 3.878 -4.101 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -1.366 2.019 -2.467 1.00 0.00 H new ATOM 0 HD2 PHE A 15 1.648 5.023 -2.509 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -0.656 1.345 -0.229 1.00 0.00 H new ATOM 0 HE2 PHE A 15 2.363 4.335 -0.271 1.00 0.00 H new ATOM 0 HZ PHE A 15 1.208 2.491 0.865 1.00 0.00 H new ATOM 222 N LEU A 16 -1.173 1.694 -6.078 1.00 0.00 N ATOM 223 CA LEU A 16 -1.754 0.406 -6.325 1.00 0.00 C ATOM 224 C LEU A 16 -0.758 -0.490 -7.070 1.00 0.00 C ATOM 225 O LEU A 16 -0.847 -1.714 -7.050 1.00 0.00 O ATOM 226 CB LEU A 16 -3.104 0.589 -7.011 1.00 0.00 C ATOM 227 CG LEU A 16 -3.948 -0.620 -7.173 1.00 0.00 C ATOM 228 CD1 LEU A 16 -5.393 -0.239 -7.117 1.00 0.00 C ATOM 229 CD2 LEU A 16 -3.704 -1.254 -8.471 1.00 0.00 C ATOM 0 H LEU A 16 -1.584 2.457 -6.616 1.00 0.00 H new ATOM 0 HA LEU A 16 -1.961 -0.122 -5.394 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -3.674 1.326 -6.445 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -2.927 1.013 -7.999 1.00 0.00 H new ATOM 0 HG LEU A 16 -3.697 -1.312 -6.369 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -6.009 -1.130 -7.236 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -5.610 0.226 -6.155 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -5.615 0.466 -7.919 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -4.334 -2.138 -8.568 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -3.941 -0.551 -9.270 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -2.656 -1.545 -8.542 1.00 0.00 H new ATOM 241 N GLU A 17 0.182 0.135 -7.686 1.00 0.00 N ATOM 242 CA GLU A 17 1.303 -0.560 -8.253 1.00 0.00 C ATOM 243 C GLU A 17 2.302 -0.962 -7.150 1.00 0.00 C ATOM 244 O GLU A 17 3.074 -1.872 -7.352 1.00 0.00 O ATOM 245 CB GLU A 17 2.010 0.256 -9.329 1.00 0.00 C ATOM 246 CG GLU A 17 1.200 0.502 -10.585 1.00 0.00 C ATOM 247 CD GLU A 17 0.808 -0.768 -11.302 1.00 0.00 C ATOM 248 OE1 GLU A 17 1.687 -1.456 -11.863 1.00 0.00 O ATOM 249 OE2 GLU A 17 -0.397 -1.089 -11.354 1.00 0.00 O ATOM 0 H GLU A 17 0.203 1.146 -7.816 1.00 0.00 H new ATOM 0 HA GLU A 17 0.911 -1.458 -8.732 1.00 0.00 H new ATOM 0 HB2 GLU A 17 2.295 1.219 -8.905 1.00 0.00 H new ATOM 0 HB3 GLU A 17 2.932 -0.256 -9.604 1.00 0.00 H new ATOM 0 HG2 GLU A 17 0.299 1.057 -10.325 1.00 0.00 H new ATOM 0 HG3 GLU A 17 1.777 1.131 -11.263 1.00 0.00 H new ATOM 256 N PHE A 18 2.245 -0.280 -5.964 1.00 0.00 N ATOM 257 CA PHE A 18 3.151 -0.600 -4.798 1.00 0.00 C ATOM 258 C PHE A 18 3.038 -2.052 -4.500 1.00 0.00 C ATOM 259 O PHE A 18 4.008 -2.782 -4.495 1.00 0.00 O ATOM 260 CB PHE A 18 2.804 0.247 -3.454 1.00 0.00 C ATOM 261 CG PHE A 18 2.036 -0.469 -2.235 1.00 0.00 C ATOM 262 CD1 PHE A 18 0.639 -0.665 -2.232 1.00 0.00 C ATOM 263 CD2 PHE A 18 2.727 -0.907 -1.101 1.00 0.00 C ATOM 264 CE1 PHE A 18 -0.013 -1.276 -1.141 1.00 0.00 C ATOM 265 CE2 PHE A 18 2.068 -1.507 -0.034 1.00 0.00 C ATOM 266 CZ PHE A 18 0.709 -1.689 -0.056 1.00 0.00 C ATOM 0 H PHE A 18 1.594 0.484 -5.785 1.00 0.00 H new ATOM 0 HA PHE A 18 4.164 -0.322 -5.089 1.00 0.00 H new ATOM 0 HB2 PHE A 18 3.744 0.636 -3.063 1.00 0.00 H new ATOM 0 HB3 PHE A 18 2.205 1.106 -3.756 1.00 0.00 H new ATOM 0 HD1 PHE A 18 0.057 -0.341 -3.082 1.00 0.00 H new ATOM 0 HD2 PHE A 18 3.798 -0.776 -1.053 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -1.083 -1.418 -1.163 1.00 0.00 H new ATOM 0 HE2 PHE A 18 2.635 -1.835 0.825 1.00 0.00 H new ATOM 0 HZ PHE A 18 0.211 -2.157 0.780 1.00 0.00 H new ATOM 276 N VAL A 19 1.833 -2.459 -4.368 1.00 0.00 N ATOM 277 CA VAL A 19 1.508 -3.782 -3.951 1.00 0.00 C ATOM 278 C VAL A 19 1.788 -4.807 -5.044 1.00 0.00 C ATOM 279 O VAL A 19 2.264 -5.911 -4.771 1.00 0.00 O ATOM 280 CB VAL A 19 0.049 -3.842 -3.452 1.00 0.00 C ATOM 281 CG1 VAL A 19 -0.922 -3.445 -4.524 1.00 0.00 C ATOM 282 CG2 VAL A 19 -0.283 -5.175 -2.833 1.00 0.00 C ATOM 0 H VAL A 19 1.019 -1.872 -4.550 1.00 0.00 H new ATOM 0 HA VAL A 19 2.157 -4.046 -3.116 1.00 0.00 H new ATOM 0 HB VAL A 19 -0.050 -3.104 -2.656 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -1.938 -3.500 -4.133 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -0.712 -2.425 -4.846 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -0.823 -4.121 -5.373 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -1.320 -5.172 -2.496 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -0.144 -5.964 -3.572 1.00 0.00 H new ATOM 0 HG23 VAL A 19 0.374 -5.355 -1.982 1.00 0.00 H new ATOM 292 N LYS A 20 1.540 -4.424 -6.270 1.00 0.00 N ATOM 293 CA LYS A 20 1.794 -5.289 -7.387 1.00 0.00 C ATOM 294 C LYS A 20 3.300 -5.479 -7.559 1.00 0.00 C ATOM 295 O LYS A 20 3.779 -6.563 -7.916 1.00 0.00 O ATOM 296 CB LYS A 20 1.239 -4.692 -8.635 1.00 0.00 C ATOM 297 CG LYS A 20 -0.244 -4.538 -8.626 1.00 0.00 C ATOM 298 CD LYS A 20 -0.653 -3.950 -9.906 1.00 0.00 C ATOM 299 CE LYS A 20 -2.108 -3.674 -10.019 1.00 0.00 C ATOM 300 NZ LYS A 20 -2.378 -2.937 -11.272 1.00 0.00 N ATOM 0 H LYS A 20 1.159 -3.511 -6.518 1.00 0.00 H new ATOM 0 HA LYS A 20 1.316 -6.251 -7.199 1.00 0.00 H new ATOM 0 HB2 LYS A 20 1.695 -3.714 -8.792 1.00 0.00 H new ATOM 0 HB3 LYS A 20 1.524 -5.316 -9.482 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -0.725 -5.505 -8.481 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -0.555 -3.900 -7.798 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -0.107 -3.019 -10.055 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -0.360 -4.624 -10.711 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -2.668 -4.609 -10.008 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -2.445 -3.090 -9.162 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -3.130 -2.237 -11.108 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -1.513 -2.450 -11.581 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -2.682 -3.605 -12.009 1.00 0.00 H new ATOM 314 N LYS A 21 4.035 -4.401 -7.297 1.00 0.00 N ATOM 315 CA LYS A 21 5.480 -4.397 -7.341 1.00 0.00 C ATOM 316 C LYS A 21 6.005 -5.295 -6.254 1.00 0.00 C ATOM 317 O LYS A 21 6.908 -6.056 -6.483 1.00 0.00 O ATOM 318 CB LYS A 21 6.039 -2.967 -7.166 1.00 0.00 C ATOM 319 CG LYS A 21 7.559 -2.874 -7.268 1.00 0.00 C ATOM 320 CD LYS A 21 8.071 -1.448 -7.071 1.00 0.00 C ATOM 321 CE LYS A 21 7.540 -0.466 -8.122 1.00 0.00 C ATOM 322 NZ LYS A 21 7.952 -0.818 -9.504 1.00 0.00 N ATOM 0 H LYS A 21 3.631 -3.499 -7.046 1.00 0.00 H new ATOM 0 HA LYS A 21 5.805 -4.763 -8.315 1.00 0.00 H new ATOM 0 HB2 LYS A 21 5.595 -2.320 -7.922 1.00 0.00 H new ATOM 0 HB3 LYS A 21 5.727 -2.583 -6.195 1.00 0.00 H new ATOM 0 HG2 LYS A 21 8.011 -3.526 -6.520 1.00 0.00 H new ATOM 0 HG3 LYS A 21 7.878 -3.240 -8.244 1.00 0.00 H new ATOM 0 HD2 LYS A 21 7.784 -1.099 -6.079 1.00 0.00 H new ATOM 0 HD3 LYS A 21 9.160 -1.452 -7.104 1.00 0.00 H new ATOM 0 HE2 LYS A 21 6.452 -0.439 -8.069 1.00 0.00 H new ATOM 0 HE3 LYS A 21 7.896 0.537 -7.887 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 7.622 -0.084 -10.162 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 8.989 -0.884 -9.551 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 7.534 -1.733 -9.768 1.00 0.00 H new ATOM 336 N ILE A 22 5.397 -5.217 -5.075 1.00 0.00 N ATOM 337 CA ILE A 22 5.779 -6.061 -3.948 1.00 0.00 C ATOM 338 C ILE A 22 5.515 -7.528 -4.265 1.00 0.00 C ATOM 339 O ILE A 22 6.301 -8.392 -3.929 1.00 0.00 O ATOM 340 CB ILE A 22 5.052 -5.653 -2.636 1.00 0.00 C ATOM 341 CG1 ILE A 22 5.400 -4.207 -2.300 1.00 0.00 C ATOM 342 CG2 ILE A 22 5.449 -6.583 -1.484 1.00 0.00 C ATOM 343 CD1 ILE A 22 4.738 -3.672 -1.069 1.00 0.00 C ATOM 0 H ILE A 22 4.632 -4.573 -4.874 1.00 0.00 H new ATOM 0 HA ILE A 22 6.847 -5.917 -3.786 1.00 0.00 H new ATOM 0 HB ILE A 22 3.975 -5.742 -2.780 1.00 0.00 H new ATOM 0 HG12 ILE A 22 6.480 -4.127 -2.179 1.00 0.00 H new ATOM 0 HG13 ILE A 22 5.127 -3.576 -3.146 1.00 0.00 H new ATOM 0 HG21 ILE A 22 4.929 -6.279 -0.576 1.00 0.00 H new ATOM 0 HG22 ILE A 22 5.176 -7.608 -1.733 1.00 0.00 H new ATOM 0 HG23 ILE A 22 6.525 -6.523 -1.323 1.00 0.00 H new ATOM 0 HD11 ILE A 22 5.045 -2.638 -0.911 1.00 0.00 H new ATOM 0 HD12 ILE A 22 3.656 -3.714 -1.190 1.00 0.00 H new ATOM 0 HD13 ILE A 22 5.030 -4.273 -0.208 1.00 0.00 H new ATOM 355 N CYS A 23 4.426 -7.790 -4.953 1.00 0.00 N ATOM 356 CA CYS A 23 4.078 -9.137 -5.368 1.00 0.00 C ATOM 357 C CYS A 23 5.194 -9.730 -6.272 1.00 0.00 C ATOM 358 O CYS A 23 5.513 -10.921 -6.198 1.00 0.00 O ATOM 359 CB CYS A 23 2.728 -9.110 -6.102 1.00 0.00 C ATOM 360 SG CYS A 23 2.099 -10.716 -6.615 1.00 0.00 S ATOM 0 H CYS A 23 3.755 -7.078 -5.242 1.00 0.00 H new ATOM 0 HA CYS A 23 3.988 -9.777 -4.490 1.00 0.00 H new ATOM 0 HB2 CYS A 23 1.990 -8.640 -5.453 1.00 0.00 H new ATOM 0 HB3 CYS A 23 2.826 -8.478 -6.984 1.00 0.00 H new ATOM 0 HG CYS A 23 0.958 -10.562 -7.219 1.00 0.00 H new ATOM 366 N ARG A 24 5.793 -8.875 -7.096 1.00 0.00 N ATOM 367 CA ARG A 24 6.868 -9.273 -7.995 1.00 0.00 C ATOM 368 C ARG A 24 8.266 -8.905 -7.458 1.00 0.00 C ATOM 369 O ARG A 24 9.272 -9.077 -8.145 1.00 0.00 O ATOM 370 CB ARG A 24 6.639 -8.757 -9.418 1.00 0.00 C ATOM 371 CG ARG A 24 6.637 -7.262 -9.609 1.00 0.00 C ATOM 372 CD ARG A 24 6.390 -6.972 -11.071 1.00 0.00 C ATOM 373 NE ARG A 24 6.415 -5.546 -11.411 1.00 0.00 N ATOM 374 CZ ARG A 24 6.103 -5.056 -12.623 1.00 0.00 C ATOM 375 NH1 ARG A 24 5.699 -5.869 -13.589 1.00 0.00 N ATOM 376 NH2 ARG A 24 6.195 -3.752 -12.860 1.00 0.00 N ATOM 0 H ARG A 24 5.546 -7.887 -7.158 1.00 0.00 H new ATOM 0 HA ARG A 24 6.844 -10.362 -8.041 1.00 0.00 H new ATOM 0 HB2 ARG A 24 7.411 -9.180 -10.061 1.00 0.00 H new ATOM 0 HB3 ARG A 24 5.683 -9.145 -9.770 1.00 0.00 H new ATOM 0 HG2 ARG A 24 5.863 -6.802 -8.994 1.00 0.00 H new ATOM 0 HG3 ARG A 24 7.590 -6.837 -9.293 1.00 0.00 H new ATOM 0 HD2 ARG A 24 7.143 -7.489 -11.665 1.00 0.00 H new ATOM 0 HD3 ARG A 24 5.422 -7.385 -11.354 1.00 0.00 H new ATOM 0 HE ARG A 24 6.686 -4.885 -10.683 1.00 0.00 H new ATOM 0 HH11 ARG A 24 5.624 -6.871 -13.414 1.00 0.00 H new ATOM 0 HH12 ARG A 24 5.463 -5.492 -14.507 1.00 0.00 H new ATOM 0 HH21 ARG A 24 6.503 -3.120 -12.121 1.00 0.00 H new ATOM 0 HH22 ARG A 24 5.958 -3.383 -13.781 1.00 0.00 H new ATOM 390 N ALA A 25 8.317 -8.436 -6.217 1.00 0.00 N ATOM 391 CA ALA A 25 9.554 -7.956 -5.533 1.00 0.00 C ATOM 392 C ALA A 25 10.435 -9.104 -5.059 1.00 0.00 C ATOM 393 O ALA A 25 11.259 -8.955 -4.180 1.00 0.00 O ATOM 394 CB ALA A 25 9.195 -7.063 -4.366 1.00 0.00 C ATOM 0 H ALA A 25 7.488 -8.369 -5.627 1.00 0.00 H new ATOM 0 HA ALA A 25 10.126 -7.387 -6.266 1.00 0.00 H new ATOM 0 HB1 ALA A 25 10.106 -6.720 -3.876 1.00 0.00 H new ATOM 0 HB2 ALA A 25 8.631 -6.203 -4.726 1.00 0.00 H new ATOM 0 HB3 ALA A 25 8.588 -7.622 -3.653 1.00 0.00 H new ATOM 400 N GLU A 26 10.262 -10.219 -5.669 1.00 0.00 N ATOM 401 CA GLU A 26 10.950 -11.449 -5.352 1.00 0.00 C ATOM 402 C GLU A 26 12.388 -11.423 -5.948 1.00 0.00 C ATOM 403 O GLU A 26 12.830 -12.395 -6.575 1.00 0.00 O ATOM 404 CB GLU A 26 10.132 -12.561 -5.987 1.00 0.00 C ATOM 405 CG GLU A 26 8.654 -12.461 -5.652 1.00 0.00 C ATOM 406 CD GLU A 26 7.822 -13.435 -6.405 1.00 0.00 C ATOM 407 OE1 GLU A 26 7.712 -13.310 -7.646 1.00 0.00 O ATOM 408 OE2 GLU A 26 7.225 -14.322 -5.779 1.00 0.00 O ATOM 0 H GLU A 26 9.607 -10.320 -6.444 1.00 0.00 H new ATOM 0 HA GLU A 26 11.046 -11.593 -4.276 1.00 0.00 H new ATOM 0 HB2 GLU A 26 10.259 -12.528 -7.069 1.00 0.00 H new ATOM 0 HB3 GLU A 26 10.513 -13.525 -5.650 1.00 0.00 H new ATOM 0 HG2 GLU A 26 8.517 -12.624 -4.583 1.00 0.00 H new ATOM 0 HG3 GLU A 26 8.306 -11.451 -5.867 1.00 0.00 H new ATOM 415 N GLY A 27 13.094 -10.316 -5.729 1.00 0.00 N ATOM 416 CA GLY A 27 14.420 -10.083 -6.289 1.00 0.00 C ATOM 417 C GLY A 27 15.460 -11.110 -5.893 1.00 0.00 C ATOM 418 O GLY A 27 16.233 -11.576 -6.736 1.00 0.00 O ATOM 0 H GLY A 27 12.756 -9.547 -5.150 1.00 0.00 H new ATOM 0 HA2 GLY A 27 14.343 -10.064 -7.376 1.00 0.00 H new ATOM 0 HA3 GLY A 27 14.764 -9.097 -5.976 1.00 0.00 H new ATOM 422 N ALA A 28 15.491 -11.468 -4.636 1.00 0.00 N ATOM 423 CA ALA A 28 16.461 -12.437 -4.155 1.00 0.00 C ATOM 424 C ALA A 28 15.868 -13.248 -3.034 1.00 0.00 C ATOM 425 O ALA A 28 15.687 -14.466 -3.140 1.00 0.00 O ATOM 426 CB ALA A 28 17.726 -11.733 -3.669 1.00 0.00 C ATOM 0 H ALA A 28 14.859 -11.108 -3.921 1.00 0.00 H new ATOM 0 HA ALA A 28 16.724 -13.100 -4.979 1.00 0.00 H new ATOM 0 HB1 ALA A 28 18.441 -12.475 -3.312 1.00 0.00 H new ATOM 0 HB2 ALA A 28 18.167 -11.169 -4.491 1.00 0.00 H new ATOM 0 HB3 ALA A 28 17.474 -11.052 -2.856 1.00 0.00 H new ATOM 432 N THR A 29 15.560 -12.574 -1.984 1.00 0.00 N ATOM 433 CA THR A 29 15.002 -13.156 -0.814 1.00 0.00 C ATOM 434 C THR A 29 13.800 -12.285 -0.451 1.00 0.00 C ATOM 435 O THR A 29 13.619 -11.231 -1.070 1.00 0.00 O ATOM 436 CB THR A 29 16.082 -13.113 0.312 1.00 0.00 C ATOM 437 OG1 THR A 29 17.328 -13.618 -0.208 1.00 0.00 O ATOM 438 CG2 THR A 29 15.691 -13.958 1.519 1.00 0.00 C ATOM 0 H THR A 29 15.694 -11.565 -1.913 1.00 0.00 H new ATOM 0 HA THR A 29 14.695 -14.193 -0.954 1.00 0.00 H new ATOM 0 HB THR A 29 16.176 -12.076 0.635 1.00 0.00 H new ATOM 0 HG1 THR A 29 18.010 -13.592 0.495 1.00 0.00 H new ATOM 0 HG21 THR A 29 16.474 -13.896 2.275 1.00 0.00 H new ATOM 0 HG22 THR A 29 14.754 -13.587 1.935 1.00 0.00 H new ATOM 0 HG23 THR A 29 15.565 -14.996 1.211 1.00 0.00 H new ATOM 446 N GLU A 30 13.010 -12.688 0.536 1.00 0.00 N ATOM 447 CA GLU A 30 11.836 -11.930 0.975 1.00 0.00 C ATOM 448 C GLU A 30 12.195 -10.549 1.533 1.00 0.00 C ATOM 449 O GLU A 30 11.311 -9.753 1.843 1.00 0.00 O ATOM 450 CB GLU A 30 11.035 -12.706 2.015 1.00 0.00 C ATOM 451 CG GLU A 30 11.799 -13.059 3.275 1.00 0.00 C ATOM 452 CD GLU A 30 10.886 -13.585 4.345 1.00 0.00 C ATOM 453 OE1 GLU A 30 10.443 -14.747 4.251 1.00 0.00 O ATOM 454 OE2 GLU A 30 10.582 -12.843 5.301 1.00 0.00 O ATOM 0 H GLU A 30 13.162 -13.551 1.058 1.00 0.00 H new ATOM 0 HA GLU A 30 11.226 -11.781 0.084 1.00 0.00 H new ATOM 0 HB2 GLU A 30 10.160 -12.118 2.291 1.00 0.00 H new ATOM 0 HB3 GLU A 30 10.670 -13.626 1.559 1.00 0.00 H new ATOM 0 HG2 GLU A 30 12.558 -13.806 3.044 1.00 0.00 H new ATOM 0 HG3 GLU A 30 12.322 -12.177 3.643 1.00 0.00 H new ATOM 461 N GLU A 31 13.486 -10.280 1.662 1.00 0.00 N ATOM 462 CA GLU A 31 13.973 -9.013 2.152 1.00 0.00 C ATOM 463 C GLU A 31 13.704 -7.946 1.112 1.00 0.00 C ATOM 464 O GLU A 31 13.438 -6.800 1.443 1.00 0.00 O ATOM 465 CB GLU A 31 15.476 -9.077 2.409 1.00 0.00 C ATOM 466 CG GLU A 31 15.915 -10.279 3.208 1.00 0.00 C ATOM 467 CD GLU A 31 17.359 -10.208 3.602 1.00 0.00 C ATOM 468 OE1 GLU A 31 17.684 -9.498 4.573 1.00 0.00 O ATOM 469 OE2 GLU A 31 18.193 -10.852 2.946 1.00 0.00 O ATOM 0 H GLU A 31 14.224 -10.943 1.426 1.00 0.00 H new ATOM 0 HA GLU A 31 13.462 -8.779 3.086 1.00 0.00 H new ATOM 0 HB2 GLU A 31 15.997 -9.081 1.452 1.00 0.00 H new ATOM 0 HB3 GLU A 31 15.782 -8.173 2.935 1.00 0.00 H new ATOM 0 HG2 GLU A 31 15.300 -10.360 4.105 1.00 0.00 H new ATOM 0 HG3 GLU A 31 15.745 -11.183 2.623 1.00 0.00 H new ATOM 476 N ASP A 32 13.746 -8.356 -0.148 1.00 0.00 N ATOM 477 CA ASP A 32 13.549 -7.460 -1.287 1.00 0.00 C ATOM 478 C ASP A 32 12.090 -7.022 -1.318 1.00 0.00 C ATOM 479 O ASP A 32 11.766 -5.872 -1.640 1.00 0.00 O ATOM 480 CB ASP A 32 13.937 -8.197 -2.584 1.00 0.00 C ATOM 481 CG ASP A 32 14.194 -7.280 -3.764 1.00 0.00 C ATOM 482 OD1 ASP A 32 15.282 -6.665 -3.817 1.00 0.00 O ATOM 483 OD2 ASP A 32 13.370 -7.191 -4.673 1.00 0.00 O ATOM 0 H ASP A 32 13.919 -9.325 -0.414 1.00 0.00 H new ATOM 0 HA ASP A 32 14.178 -6.575 -1.196 1.00 0.00 H new ATOM 0 HB2 ASP A 32 14.832 -8.791 -2.398 1.00 0.00 H new ATOM 0 HB3 ASP A 32 13.140 -8.894 -2.846 1.00 0.00 H new ATOM 488 N ASP A 33 11.228 -7.944 -0.938 1.00 0.00 N ATOM 489 CA ASP A 33 9.791 -7.702 -0.810 1.00 0.00 C ATOM 490 C ASP A 33 9.555 -6.820 0.397 1.00 0.00 C ATOM 491 O ASP A 33 9.007 -5.715 0.298 1.00 0.00 O ATOM 492 CB ASP A 33 9.028 -9.023 -0.540 1.00 0.00 C ATOM 493 CG ASP A 33 9.297 -10.151 -1.501 1.00 0.00 C ATOM 494 OD1 ASP A 33 10.405 -10.715 -1.451 1.00 0.00 O ATOM 495 OD2 ASP A 33 8.385 -10.541 -2.263 1.00 0.00 O ATOM 0 H ASP A 33 11.502 -8.898 -0.704 1.00 0.00 H new ATOM 0 HA ASP A 33 9.441 -7.246 -1.736 1.00 0.00 H new ATOM 0 HB2 ASP A 33 9.275 -9.363 0.466 1.00 0.00 H new ATOM 0 HB3 ASP A 33 7.959 -8.810 -0.551 1.00 0.00 H new ATOM 500 N ASN A 34 10.021 -7.313 1.536 1.00 0.00 N ATOM 501 CA ASN A 34 9.812 -6.711 2.833 1.00 0.00 C ATOM 502 C ASN A 34 10.281 -5.279 2.897 1.00 0.00 C ATOM 503 O ASN A 34 9.559 -4.439 3.389 1.00 0.00 O ATOM 504 CB ASN A 34 10.490 -7.551 3.908 1.00 0.00 C ATOM 505 CG ASN A 34 10.320 -7.032 5.319 1.00 0.00 C ATOM 506 OD1 ASN A 34 9.314 -6.433 5.669 1.00 0.00 O ATOM 507 ND2 ASN A 34 11.281 -7.280 6.136 1.00 0.00 N ATOM 0 H ASN A 34 10.572 -8.171 1.577 1.00 0.00 H new ATOM 0 HA ASN A 34 8.737 -6.689 3.011 1.00 0.00 H new ATOM 0 HB2 ASN A 34 10.095 -8.566 3.859 1.00 0.00 H new ATOM 0 HB3 ASN A 34 11.555 -7.612 3.684 1.00 0.00 H new ATOM 0 HD21 ASN A 34 11.217 -6.975 7.107 1.00 0.00 H new ATOM 0 HD22 ASN A 34 12.108 -7.782 5.813 1.00 0.00 H new ATOM 514 N LYS A 35 11.461 -4.984 2.358 1.00 0.00 N ATOM 515 CA LYS A 35 11.985 -3.623 2.423 1.00 0.00 C ATOM 516 C LYS A 35 11.087 -2.624 1.708 1.00 0.00 C ATOM 517 O LYS A 35 11.013 -1.456 2.115 1.00 0.00 O ATOM 518 CB LYS A 35 13.428 -3.515 1.958 1.00 0.00 C ATOM 519 CG LYS A 35 13.692 -3.868 0.510 1.00 0.00 C ATOM 520 CD LYS A 35 15.154 -3.659 0.185 1.00 0.00 C ATOM 521 CE LYS A 35 16.065 -4.606 0.970 1.00 0.00 C ATOM 522 NZ LYS A 35 17.490 -4.292 0.769 1.00 0.00 N ATOM 0 H LYS A 35 12.063 -5.655 1.880 1.00 0.00 H new ATOM 0 HA LYS A 35 11.985 -3.359 3.481 1.00 0.00 H new ATOM 0 HB2 LYS A 35 13.767 -2.493 2.129 1.00 0.00 H new ATOM 0 HB3 LYS A 35 14.040 -4.163 2.586 1.00 0.00 H new ATOM 0 HG2 LYS A 35 13.414 -4.905 0.324 1.00 0.00 H new ATOM 0 HG3 LYS A 35 13.074 -3.250 -0.142 1.00 0.00 H new ATOM 0 HD2 LYS A 35 15.312 -3.809 -0.883 1.00 0.00 H new ATOM 0 HD3 LYS A 35 15.429 -2.628 0.406 1.00 0.00 H new ATOM 0 HE2 LYS A 35 15.826 -4.542 2.032 1.00 0.00 H new ATOM 0 HE3 LYS A 35 15.873 -5.633 0.661 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 18.073 -4.956 1.318 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 17.725 -4.377 -0.240 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 17.680 -3.320 1.088 1.00 0.00 H new ATOM 536 N LEU A 36 10.381 -3.078 0.665 1.00 0.00 N ATOM 537 CA LEU A 36 9.414 -2.215 0.021 1.00 0.00 C ATOM 538 C LEU A 36 8.253 -2.002 0.957 1.00 0.00 C ATOM 539 O LEU A 36 7.870 -0.867 1.231 1.00 0.00 O ATOM 540 CB LEU A 36 8.907 -2.787 -1.304 1.00 0.00 C ATOM 541 CG LEU A 36 9.894 -2.846 -2.462 1.00 0.00 C ATOM 542 CD1 LEU A 36 9.200 -3.383 -3.700 1.00 0.00 C ATOM 543 CD2 LEU A 36 10.478 -1.468 -2.743 1.00 0.00 C ATOM 0 H LEU A 36 10.465 -4.013 0.266 1.00 0.00 H new ATOM 0 HA LEU A 36 9.908 -1.271 -0.207 1.00 0.00 H new ATOM 0 HB2 LEU A 36 8.544 -3.798 -1.118 1.00 0.00 H new ATOM 0 HB3 LEU A 36 8.049 -2.194 -1.621 1.00 0.00 H new ATOM 0 HG LEU A 36 10.712 -3.514 -2.190 1.00 0.00 H new ATOM 0 HD11 LEU A 36 9.910 -3.424 -4.526 1.00 0.00 H new ATOM 0 HD12 LEU A 36 8.820 -4.385 -3.499 1.00 0.00 H new ATOM 0 HD13 LEU A 36 8.371 -2.727 -3.966 1.00 0.00 H new ATOM 0 HD21 LEU A 36 11.181 -1.533 -3.574 1.00 0.00 H new ATOM 0 HD22 LEU A 36 9.675 -0.778 -3.000 1.00 0.00 H new ATOM 0 HD23 LEU A 36 10.998 -1.105 -1.856 1.00 0.00 H new ATOM 555 N VAL A 37 7.742 -3.111 1.495 1.00 0.00 N ATOM 556 CA VAL A 37 6.615 -3.092 2.424 1.00 0.00 C ATOM 557 C VAL A 37 6.894 -2.124 3.571 1.00 0.00 C ATOM 558 O VAL A 37 6.058 -1.315 3.925 1.00 0.00 O ATOM 559 CB VAL A 37 6.330 -4.501 3.028 1.00 0.00 C ATOM 560 CG1 VAL A 37 5.109 -4.440 3.923 1.00 0.00 C ATOM 561 CG2 VAL A 37 6.111 -5.530 1.940 1.00 0.00 C ATOM 0 H VAL A 37 8.099 -4.046 1.298 1.00 0.00 H new ATOM 0 HA VAL A 37 5.742 -2.772 1.855 1.00 0.00 H new ATOM 0 HB VAL A 37 7.200 -4.800 3.612 1.00 0.00 H new ATOM 0 HG11 VAL A 37 4.915 -5.427 4.342 1.00 0.00 H new ATOM 0 HG12 VAL A 37 5.286 -3.731 4.732 1.00 0.00 H new ATOM 0 HG13 VAL A 37 4.246 -4.117 3.340 1.00 0.00 H new ATOM 0 HG21 VAL A 37 5.915 -6.502 2.393 1.00 0.00 H new ATOM 0 HG22 VAL A 37 5.259 -5.236 1.328 1.00 0.00 H new ATOM 0 HG23 VAL A 37 7.002 -5.594 1.315 1.00 0.00 H new ATOM 571 N ARG A 38 8.104 -2.185 4.086 1.00 0.00 N ATOM 572 CA ARG A 38 8.520 -1.365 5.206 1.00 0.00 C ATOM 573 C ARG A 38 8.426 0.129 4.892 1.00 0.00 C ATOM 574 O ARG A 38 7.920 0.887 5.708 1.00 0.00 O ATOM 575 CB ARG A 38 9.942 -1.723 5.647 1.00 0.00 C ATOM 576 CG ARG A 38 10.153 -3.184 6.046 1.00 0.00 C ATOM 577 CD ARG A 38 9.547 -3.574 7.398 1.00 0.00 C ATOM 578 NE ARG A 38 8.104 -3.312 7.543 1.00 0.00 N ATOM 579 CZ ARG A 38 7.185 -4.258 7.753 1.00 0.00 C ATOM 580 NH1 ARG A 38 7.411 -5.503 7.363 1.00 0.00 N ATOM 581 NH2 ARG A 38 5.996 -3.930 8.251 1.00 0.00 N ATOM 0 H ARG A 38 8.832 -2.809 3.737 1.00 0.00 H new ATOM 0 HA ARG A 38 7.832 -1.575 6.025 1.00 0.00 H new ATOM 0 HB2 ARG A 38 10.628 -1.482 4.835 1.00 0.00 H new ATOM 0 HB3 ARG A 38 10.213 -1.090 6.492 1.00 0.00 H new ATOM 0 HG2 ARG A 38 9.724 -3.823 5.274 1.00 0.00 H new ATOM 0 HG3 ARG A 38 11.223 -3.388 6.071 1.00 0.00 H new ATOM 0 HD2 ARG A 38 9.725 -4.637 7.564 1.00 0.00 H new ATOM 0 HD3 ARG A 38 10.077 -3.036 8.184 1.00 0.00 H new ATOM 0 HE ARG A 38 7.786 -2.345 7.479 1.00 0.00 H new ATOM 0 HH11 ARG A 38 8.289 -5.741 6.901 1.00 0.00 H new ATOM 0 HH12 ARG A 38 6.708 -6.224 7.525 1.00 0.00 H new ATOM 0 HH21 ARG A 38 5.787 -2.957 8.472 1.00 0.00 H new ATOM 0 HH22 ARG A 38 5.294 -4.652 8.412 1.00 0.00 H new ATOM 595 N GLU A 39 8.865 0.550 3.701 1.00 0.00 N ATOM 596 CA GLU A 39 8.833 1.975 3.401 1.00 0.00 C ATOM 597 C GLU A 39 7.411 2.431 3.153 1.00 0.00 C ATOM 598 O GLU A 39 7.003 3.497 3.617 1.00 0.00 O ATOM 599 CB GLU A 39 9.745 2.392 2.233 1.00 0.00 C ATOM 600 CG GLU A 39 9.289 1.982 0.841 1.00 0.00 C ATOM 601 CD GLU A 39 10.083 2.682 -0.230 1.00 0.00 C ATOM 602 OE1 GLU A 39 9.765 3.844 -0.549 1.00 0.00 O ATOM 603 OE2 GLU A 39 11.034 2.104 -0.764 1.00 0.00 O ATOM 0 H GLU A 39 9.231 -0.050 2.961 1.00 0.00 H new ATOM 0 HA GLU A 39 9.233 2.475 4.283 1.00 0.00 H new ATOM 0 HB2 GLU A 39 9.851 3.477 2.252 1.00 0.00 H new ATOM 0 HB3 GLU A 39 10.736 1.972 2.406 1.00 0.00 H new ATOM 0 HG2 GLU A 39 9.394 0.903 0.726 1.00 0.00 H new ATOM 0 HG3 GLU A 39 8.231 2.214 0.721 1.00 0.00 H new ATOM 610 N PHE A 40 6.645 1.598 2.467 1.00 0.00 N ATOM 611 CA PHE A 40 5.274 1.918 2.173 1.00 0.00 C ATOM 612 C PHE A 40 4.454 1.971 3.438 1.00 0.00 C ATOM 613 O PHE A 40 3.633 2.852 3.603 1.00 0.00 O ATOM 614 CB PHE A 40 4.669 0.952 1.163 1.00 0.00 C ATOM 615 CG PHE A 40 5.221 1.079 -0.238 1.00 0.00 C ATOM 616 CD1 PHE A 40 4.963 2.204 -1.000 1.00 0.00 C ATOM 617 CD2 PHE A 40 5.957 0.055 -0.805 1.00 0.00 C ATOM 618 CE1 PHE A 40 5.428 2.298 -2.296 1.00 0.00 C ATOM 619 CE2 PHE A 40 6.431 0.146 -2.095 1.00 0.00 C ATOM 620 CZ PHE A 40 6.167 1.265 -2.842 1.00 0.00 C ATOM 0 H PHE A 40 6.958 0.696 2.107 1.00 0.00 H new ATOM 0 HA PHE A 40 5.259 2.907 1.716 1.00 0.00 H new ATOM 0 HB2 PHE A 40 4.832 -0.068 1.512 1.00 0.00 H new ATOM 0 HB3 PHE A 40 3.591 1.109 1.130 1.00 0.00 H new ATOM 0 HD1 PHE A 40 4.392 3.017 -0.577 1.00 0.00 H new ATOM 0 HD2 PHE A 40 6.164 -0.833 -0.226 1.00 0.00 H new ATOM 0 HE1 PHE A 40 5.215 3.179 -2.884 1.00 0.00 H new ATOM 0 HE2 PHE A 40 7.009 -0.662 -2.517 1.00 0.00 H new ATOM 0 HZ PHE A 40 6.535 1.339 -3.854 1.00 0.00 H new ATOM 630 N GLU A 41 4.740 1.078 4.356 1.00 0.00 N ATOM 631 CA GLU A 41 4.062 1.044 5.624 1.00 0.00 C ATOM 632 C GLU A 41 4.393 2.226 6.533 1.00 0.00 C ATOM 633 O GLU A 41 3.641 2.555 7.455 1.00 0.00 O ATOM 634 CB GLU A 41 4.196 -0.319 6.292 1.00 0.00 C ATOM 635 CG GLU A 41 3.192 -1.277 5.695 1.00 0.00 C ATOM 636 CD GLU A 41 1.851 -0.661 5.812 1.00 0.00 C ATOM 637 OE1 GLU A 41 1.410 -0.480 6.956 1.00 0.00 O ATOM 638 OE2 GLU A 41 1.227 -0.334 4.801 1.00 0.00 O ATOM 0 H GLU A 41 5.451 0.355 4.242 1.00 0.00 H new ATOM 0 HA GLU A 41 3.000 1.177 5.416 1.00 0.00 H new ATOM 0 HB2 GLU A 41 5.207 -0.704 6.156 1.00 0.00 H new ATOM 0 HB3 GLU A 41 4.032 -0.227 7.366 1.00 0.00 H new ATOM 0 HG2 GLU A 41 3.430 -1.477 4.650 1.00 0.00 H new ATOM 0 HG3 GLU A 41 3.220 -2.233 6.217 1.00 0.00 H new ATOM 645 N ARG A 42 5.482 2.900 6.241 1.00 0.00 N ATOM 646 CA ARG A 42 5.832 4.123 6.950 1.00 0.00 C ATOM 647 C ARG A 42 5.073 5.299 6.326 1.00 0.00 C ATOM 648 O ARG A 42 4.884 6.354 6.939 1.00 0.00 O ATOM 649 CB ARG A 42 7.335 4.372 6.894 1.00 0.00 C ATOM 650 CG ARG A 42 8.164 3.329 7.622 1.00 0.00 C ATOM 651 CD ARG A 42 9.653 3.572 7.424 1.00 0.00 C ATOM 652 NE ARG A 42 10.066 4.906 7.890 1.00 0.00 N ATOM 653 CZ ARG A 42 10.798 5.782 7.183 1.00 0.00 C ATOM 654 NH1 ARG A 42 11.251 5.461 5.974 1.00 0.00 N ATOM 655 NH2 ARG A 42 11.085 6.967 7.701 1.00 0.00 N ATOM 0 H ARG A 42 6.146 2.626 5.517 1.00 0.00 H new ATOM 0 HA ARG A 42 5.550 4.021 7.998 1.00 0.00 H new ATOM 0 HB2 ARG A 42 7.648 4.406 5.850 1.00 0.00 H new ATOM 0 HB3 ARG A 42 7.546 5.352 7.322 1.00 0.00 H new ATOM 0 HG2 ARG A 42 7.928 3.351 8.686 1.00 0.00 H new ATOM 0 HG3 ARG A 42 7.904 2.335 7.258 1.00 0.00 H new ATOM 0 HD2 ARG A 42 10.218 2.810 7.961 1.00 0.00 H new ATOM 0 HD3 ARG A 42 9.899 3.466 6.368 1.00 0.00 H new ATOM 0 HE ARG A 42 9.772 5.188 8.825 1.00 0.00 H new ATOM 0 HH11 ARG A 42 11.043 4.544 5.578 1.00 0.00 H new ATOM 0 HH12 ARG A 42 11.806 6.132 5.443 1.00 0.00 H new ATOM 0 HH21 ARG A 42 10.750 7.211 8.633 1.00 0.00 H new ATOM 0 HH22 ARG A 42 11.641 7.636 7.168 1.00 0.00 H new ATOM 669 N LEU A 43 4.641 5.102 5.103 1.00 0.00 N ATOM 670 CA LEU A 43 3.896 6.102 4.365 1.00 0.00 C ATOM 671 C LEU A 43 2.410 5.984 4.672 1.00 0.00 C ATOM 672 O LEU A 43 1.712 6.983 4.810 1.00 0.00 O ATOM 673 CB LEU A 43 4.119 5.921 2.858 1.00 0.00 C ATOM 674 CG LEU A 43 5.543 6.088 2.350 1.00 0.00 C ATOM 675 CD1 LEU A 43 5.612 5.743 0.874 1.00 0.00 C ATOM 676 CD2 LEU A 43 6.017 7.512 2.571 1.00 0.00 C ATOM 0 H LEU A 43 4.796 4.237 4.585 1.00 0.00 H new ATOM 0 HA LEU A 43 4.249 7.088 4.667 1.00 0.00 H new ATOM 0 HB2 LEU A 43 3.774 4.925 2.581 1.00 0.00 H new ATOM 0 HB3 LEU A 43 3.485 6.635 2.333 1.00 0.00 H new ATOM 0 HG LEU A 43 6.193 5.411 2.905 1.00 0.00 H new ATOM 0 HD11 LEU A 43 6.635 5.866 0.519 1.00 0.00 H new ATOM 0 HD12 LEU A 43 5.298 4.710 0.727 1.00 0.00 H new ATOM 0 HD13 LEU A 43 4.952 6.406 0.314 1.00 0.00 H new ATOM 0 HD21 LEU A 43 7.038 7.617 2.203 1.00 0.00 H new ATOM 0 HD22 LEU A 43 5.365 8.200 2.033 1.00 0.00 H new ATOM 0 HD23 LEU A 43 5.990 7.743 3.636 1.00 0.00 H new ATOM 688 N THR A 44 1.947 4.763 4.781 1.00 0.00 N ATOM 689 CA THR A 44 0.553 4.474 5.013 1.00 0.00 C ATOM 690 C THR A 44 0.179 4.634 6.458 1.00 0.00 C ATOM 691 O THR A 44 -0.947 5.068 6.766 1.00 0.00 O ATOM 692 CB THR A 44 0.263 3.043 4.608 1.00 0.00 C ATOM 693 OG1 THR A 44 1.173 2.210 5.297 1.00 0.00 O ATOM 694 CG2 THR A 44 0.450 2.876 3.131 1.00 0.00 C ATOM 0 H THR A 44 2.534 3.932 4.710 1.00 0.00 H new ATOM 0 HA THR A 44 -0.029 5.180 4.421 1.00 0.00 H new ATOM 0 HB THR A 44 -0.766 2.782 4.856 1.00 0.00 H new ATOM 0 HG1 THR A 44 1.285 1.370 4.804 1.00 0.00 H new ATOM 0 HG21 THR A 44 0.239 1.844 2.852 1.00 0.00 H new ATOM 0 HG22 THR A 44 -0.231 3.542 2.600 1.00 0.00 H new ATOM 0 HG23 THR A 44 1.478 3.121 2.864 1.00 0.00 H new ATOM 702 N GLU A 45 1.124 4.279 7.352 1.00 0.00 N ATOM 703 CA GLU A 45 0.904 4.229 8.777 1.00 0.00 C ATOM 704 C GLU A 45 -0.190 3.173 9.026 1.00 0.00 C ATOM 705 O GLU A 45 -0.886 3.176 10.044 1.00 0.00 O ATOM 706 CB GLU A 45 0.482 5.615 9.310 1.00 0.00 C ATOM 707 CG GLU A 45 0.550 5.715 10.803 1.00 0.00 C ATOM 708 CD GLU A 45 0.079 7.033 11.346 1.00 0.00 C ATOM 709 OE1 GLU A 45 0.791 8.057 11.190 1.00 0.00 O ATOM 710 OE2 GLU A 45 -0.988 7.072 11.996 1.00 0.00 O ATOM 0 H GLU A 45 2.072 4.018 7.080 1.00 0.00 H new ATOM 0 HA GLU A 45 1.818 3.957 9.306 1.00 0.00 H new ATOM 0 HB2 GLU A 45 1.125 6.378 8.871 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -0.536 5.829 8.983 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -0.052 4.918 11.239 1.00 0.00 H new ATOM 0 HG3 GLU A 45 1.579 5.548 11.122 1.00 0.00 H new ATOM 717 N HIS A 46 -0.292 2.227 8.103 1.00 0.00 N ATOM 718 CA HIS A 46 -1.366 1.312 8.137 1.00 0.00 C ATOM 719 C HIS A 46 -1.113 0.145 9.141 1.00 0.00 C ATOM 720 O HIS A 46 -0.149 -0.581 9.067 1.00 0.00 O ATOM 721 CB HIS A 46 -1.792 0.849 6.709 1.00 0.00 C ATOM 722 CG HIS A 46 -3.134 0.191 6.719 1.00 0.00 C ATOM 723 ND1 HIS A 46 -3.352 -1.047 7.246 1.00 0.00 N ATOM 724 CD2 HIS A 46 -4.352 0.717 6.488 1.00 0.00 C ATOM 725 CE1 HIS A 46 -4.664 -1.216 7.374 1.00 0.00 C ATOM 726 NE2 HIS A 46 -5.321 -0.179 6.912 1.00 0.00 N ATOM 0 H HIS A 46 0.365 2.093 7.334 1.00 0.00 H new ATOM 0 HA HIS A 46 -2.234 1.841 8.532 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -1.813 1.708 6.039 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -1.049 0.155 6.315 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -4.543 1.683 6.043 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -5.128 -2.092 7.802 1.00 0.00 H new ATOM 0 HE2 HIS A 46 -6.333 -0.057 6.873 1.00 0.00 H new ATOM 734 N PRO A 47 -2.035 -0.035 10.066 1.00 0.00 N ATOM 735 CA PRO A 47 -1.937 -1.000 11.174 1.00 0.00 C ATOM 736 C PRO A 47 -1.808 -2.415 10.750 1.00 0.00 C ATOM 737 O PRO A 47 -1.185 -3.231 11.413 1.00 0.00 O ATOM 738 CB PRO A 47 -3.262 -0.852 11.875 1.00 0.00 C ATOM 739 CG PRO A 47 -4.134 -0.060 10.994 1.00 0.00 C ATOM 740 CD PRO A 47 -3.265 0.709 10.119 1.00 0.00 C ATOM 0 HA PRO A 47 -1.047 -0.792 11.768 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -3.702 -1.829 12.075 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -3.135 -0.356 12.837 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -4.789 -0.710 10.414 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -4.776 0.600 11.578 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -3.702 0.819 9.127 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -3.102 1.714 10.509 1.00 0.00 H new ATOM 748 N ASP A 48 -2.377 -2.705 9.652 1.00 0.00 N ATOM 749 CA ASP A 48 -2.434 -4.038 9.190 1.00 0.00 C ATOM 750 C ASP A 48 -1.791 -4.048 7.849 1.00 0.00 C ATOM 751 O ASP A 48 -1.930 -4.972 7.113 1.00 0.00 O ATOM 752 CB ASP A 48 -3.895 -4.524 9.048 1.00 0.00 C ATOM 753 CG ASP A 48 -4.724 -4.371 10.303 1.00 0.00 C ATOM 754 OD1 ASP A 48 -5.307 -3.301 10.504 1.00 0.00 O ATOM 755 OD2 ASP A 48 -4.815 -5.322 11.105 1.00 0.00 O ATOM 0 H ASP A 48 -2.822 -2.022 9.039 1.00 0.00 H new ATOM 0 HA ASP A 48 -1.933 -4.699 9.897 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -4.373 -3.970 8.240 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -3.890 -5.574 8.755 1.00 0.00 H new ATOM 760 N GLY A 49 -1.072 -2.965 7.563 1.00 0.00 N ATOM 761 CA GLY A 49 -0.468 -2.739 6.222 1.00 0.00 C ATOM 762 C GLY A 49 0.342 -3.860 5.713 1.00 0.00 C ATOM 763 O GLY A 49 0.087 -4.380 4.623 1.00 0.00 O ATOM 0 H GLY A 49 -0.885 -2.220 8.234 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -1.267 -2.533 5.509 1.00 0.00 H new ATOM 0 HA3 GLY A 49 0.158 -1.848 6.266 1.00 0.00 H new ATOM 767 N SER A 50 1.286 -4.247 6.479 1.00 0.00 N ATOM 768 CA SER A 50 2.121 -5.368 6.124 1.00 0.00 C ATOM 769 C SER A 50 1.270 -6.638 5.969 1.00 0.00 C ATOM 770 O SER A 50 1.374 -7.363 4.973 1.00 0.00 O ATOM 771 CB SER A 50 3.230 -5.533 7.156 1.00 0.00 C ATOM 772 OG SER A 50 2.715 -5.448 8.482 1.00 0.00 O ATOM 0 H SER A 50 1.517 -3.810 7.371 1.00 0.00 H new ATOM 0 HA SER A 50 2.596 -5.183 5.160 1.00 0.00 H new ATOM 0 HB2 SER A 50 3.722 -6.495 7.015 1.00 0.00 H new ATOM 0 HB3 SER A 50 3.987 -4.763 7.007 1.00 0.00 H new ATOM 0 HG SER A 50 3.446 -5.559 9.125 1.00 0.00 H new ATOM 778 N ASP A 51 0.362 -6.825 6.910 1.00 0.00 N ATOM 779 CA ASP A 51 -0.551 -7.960 6.927 1.00 0.00 C ATOM 780 C ASP A 51 -1.489 -7.966 5.723 1.00 0.00 C ATOM 781 O ASP A 51 -1.955 -8.988 5.347 1.00 0.00 O ATOM 782 CB ASP A 51 -1.381 -7.996 8.221 1.00 0.00 C ATOM 783 CG ASP A 51 -0.556 -8.245 9.459 1.00 0.00 C ATOM 784 OD1 ASP A 51 0.089 -7.297 9.965 1.00 0.00 O ATOM 785 OD2 ASP A 51 -0.548 -9.394 9.967 1.00 0.00 O ATOM 0 H ASP A 51 0.234 -6.186 7.695 1.00 0.00 H new ATOM 0 HA ASP A 51 0.075 -8.851 6.878 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -1.909 -7.049 8.331 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -2.138 -8.775 8.136 1.00 0.00 H new ATOM 790 N LEU A 52 -1.747 -6.808 5.127 1.00 0.00 N ATOM 791 CA LEU A 52 -2.634 -6.695 3.946 1.00 0.00 C ATOM 792 C LEU A 52 -2.033 -7.408 2.775 1.00 0.00 C ATOM 793 O LEU A 52 -2.719 -8.073 2.023 1.00 0.00 O ATOM 794 CB LEU A 52 -2.823 -5.224 3.518 1.00 0.00 C ATOM 795 CG LEU A 52 -3.403 -4.255 4.529 1.00 0.00 C ATOM 796 CD1 LEU A 52 -3.499 -2.880 3.912 1.00 0.00 C ATOM 797 CD2 LEU A 52 -4.757 -4.722 5.017 1.00 0.00 C ATOM 0 H LEU A 52 -1.356 -5.918 5.437 1.00 0.00 H new ATOM 0 HA LEU A 52 -3.591 -7.131 4.232 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -1.851 -4.840 3.207 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -3.466 -5.213 2.638 1.00 0.00 H new ATOM 0 HG LEU A 52 -2.741 -4.212 5.394 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -3.916 -2.183 4.639 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -2.505 -2.544 3.616 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -4.145 -2.919 3.035 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -5.149 -4.008 5.741 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -5.442 -4.796 4.173 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -4.656 -5.699 5.489 1.00 0.00 H new ATOM 809 N ILE A 53 -0.747 -7.276 2.645 1.00 0.00 N ATOM 810 CA ILE A 53 -0.043 -7.793 1.489 1.00 0.00 C ATOM 811 C ILE A 53 0.173 -9.269 1.651 1.00 0.00 C ATOM 812 O ILE A 53 0.133 -10.048 0.690 1.00 0.00 O ATOM 813 CB ILE A 53 1.326 -7.093 1.350 1.00 0.00 C ATOM 814 CG1 ILE A 53 1.125 -5.578 1.328 1.00 0.00 C ATOM 815 CG2 ILE A 53 2.064 -7.564 0.084 1.00 0.00 C ATOM 816 CD1 ILE A 53 2.403 -4.799 1.383 1.00 0.00 C ATOM 0 H ILE A 53 -0.150 -6.811 3.329 1.00 0.00 H new ATOM 0 HA ILE A 53 -0.639 -7.603 0.596 1.00 0.00 H new ATOM 0 HB ILE A 53 1.944 -7.359 2.207 1.00 0.00 H new ATOM 0 HG12 ILE A 53 0.583 -5.306 0.422 1.00 0.00 H new ATOM 0 HG13 ILE A 53 0.499 -5.291 2.173 1.00 0.00 H new ATOM 0 HG21 ILE A 53 3.025 -7.054 0.012 1.00 0.00 H new ATOM 0 HG22 ILE A 53 2.227 -8.640 0.137 1.00 0.00 H new ATOM 0 HG23 ILE A 53 1.463 -7.331 -0.795 1.00 0.00 H new ATOM 0 HD11 ILE A 53 2.180 -3.732 1.364 1.00 0.00 H new ATOM 0 HD12 ILE A 53 2.938 -5.041 2.301 1.00 0.00 H new ATOM 0 HD13 ILE A 53 3.023 -5.056 0.524 1.00 0.00 H new ATOM 828 N TYR A 54 0.363 -9.647 2.863 1.00 0.00 N ATOM 829 CA TYR A 54 0.701 -10.985 3.178 1.00 0.00 C ATOM 830 C TYR A 54 -0.509 -11.849 3.498 1.00 0.00 C ATOM 831 O TYR A 54 -0.527 -13.033 3.187 1.00 0.00 O ATOM 832 CB TYR A 54 1.697 -10.989 4.316 1.00 0.00 C ATOM 833 CG TYR A 54 3.034 -10.376 3.953 1.00 0.00 C ATOM 834 CD1 TYR A 54 3.746 -10.828 2.854 1.00 0.00 C ATOM 835 CD2 TYR A 54 3.582 -9.351 4.704 1.00 0.00 C ATOM 836 CE1 TYR A 54 4.961 -10.279 2.519 1.00 0.00 C ATOM 837 CE2 TYR A 54 4.800 -8.796 4.380 1.00 0.00 C ATOM 838 CZ TYR A 54 5.486 -9.263 3.287 1.00 0.00 C ATOM 839 OH TYR A 54 6.720 -8.729 2.970 1.00 0.00 O ATOM 0 H TYR A 54 0.287 -9.029 3.671 1.00 0.00 H new ATOM 0 HA TYR A 54 1.151 -11.433 2.292 1.00 0.00 H new ATOM 0 HB2 TYR A 54 1.274 -10.444 5.160 1.00 0.00 H new ATOM 0 HB3 TYR A 54 1.855 -12.016 4.646 1.00 0.00 H new ATOM 0 HD1 TYR A 54 3.339 -11.626 2.250 1.00 0.00 H new ATOM 0 HD2 TYR A 54 3.043 -8.978 5.562 1.00 0.00 H new ATOM 0 HE1 TYR A 54 5.502 -10.643 1.658 1.00 0.00 H new ATOM 0 HE2 TYR A 54 5.212 -7.999 4.981 1.00 0.00 H new ATOM 0 HH TYR A 54 6.944 -8.021 3.610 1.00 0.00 H new ATOM 849 N TYR A 55 -1.504 -11.277 4.088 1.00 0.00 N ATOM 850 CA TYR A 55 -2.643 -12.015 4.506 1.00 0.00 C ATOM 851 C TYR A 55 -3.915 -11.376 4.009 1.00 0.00 C ATOM 852 O TYR A 55 -4.032 -10.145 3.907 1.00 0.00 O ATOM 853 CB TYR A 55 -2.715 -12.097 6.040 1.00 0.00 C ATOM 854 CG TYR A 55 -1.557 -12.796 6.693 1.00 0.00 C ATOM 855 CD1 TYR A 55 -1.527 -14.172 6.782 1.00 0.00 C ATOM 856 CD2 TYR A 55 -0.503 -12.076 7.230 1.00 0.00 C ATOM 857 CE1 TYR A 55 -0.480 -14.824 7.387 1.00 0.00 C ATOM 858 CE2 TYR A 55 0.550 -12.717 7.834 1.00 0.00 C ATOM 859 CZ TYR A 55 0.557 -14.095 7.909 1.00 0.00 C ATOM 860 OH TYR A 55 1.602 -14.745 8.528 1.00 0.00 O ATOM 0 H TYR A 55 -1.548 -10.279 4.294 1.00 0.00 H new ATOM 0 HA TYR A 55 -2.544 -13.016 4.086 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -2.782 -11.085 6.440 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -3.635 -12.612 6.319 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -2.342 -14.748 6.368 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -0.509 -10.998 7.173 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -0.474 -15.902 7.451 1.00 0.00 H new ATOM 0 HE2 TYR A 55 1.368 -12.146 8.248 1.00 0.00 H new ATOM 0 HH TYR A 55 2.256 -14.087 8.843 1.00 0.00 H new ATOM 870 N PRO A 56 -4.865 -12.179 3.635 1.00 0.00 N ATOM 871 CA PRO A 56 -6.188 -11.706 3.373 1.00 0.00 C ATOM 872 C PRO A 56 -6.848 -11.399 4.713 1.00 0.00 C ATOM 873 O PRO A 56 -6.478 -11.975 5.744 1.00 0.00 O ATOM 874 CB PRO A 56 -6.866 -12.888 2.682 1.00 0.00 C ATOM 875 CG PRO A 56 -6.130 -14.079 3.179 1.00 0.00 C ATOM 876 CD PRO A 56 -4.721 -13.617 3.395 1.00 0.00 C ATOM 0 HA PRO A 56 -6.237 -10.803 2.764 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -7.925 -12.942 2.934 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -6.801 -12.805 1.597 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -6.567 -14.452 4.105 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -6.169 -14.894 2.457 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -4.259 -14.121 4.244 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -4.095 -13.818 2.526 1.00 0.00 H new ATOM 884 N ARG A 57 -7.767 -10.492 4.732 1.00 0.00 N ATOM 885 CA ARG A 57 -8.416 -10.184 5.966 1.00 0.00 C ATOM 886 C ARG A 57 -9.715 -10.958 6.022 1.00 0.00 C ATOM 887 O ARG A 57 -9.699 -12.197 6.030 1.00 0.00 O ATOM 888 CB ARG A 57 -8.638 -8.674 6.129 1.00 0.00 C ATOM 889 CG ARG A 57 -7.373 -7.839 6.036 1.00 0.00 C ATOM 890 CD ARG A 57 -7.661 -6.367 6.277 1.00 0.00 C ATOM 891 NE ARG A 57 -8.012 -6.087 7.671 1.00 0.00 N ATOM 892 CZ ARG A 57 -8.190 -4.859 8.179 1.00 0.00 C ATOM 893 NH1 ARG A 57 -8.308 -3.811 7.375 1.00 0.00 N ATOM 894 NH2 ARG A 57 -8.332 -4.697 9.480 1.00 0.00 N ATOM 0 H ARG A 57 -8.083 -9.958 3.923 1.00 0.00 H new ATOM 0 HA ARG A 57 -7.781 -10.481 6.801 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -9.338 -8.338 5.364 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -9.109 -8.491 7.095 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -6.647 -8.194 6.767 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -6.923 -7.967 5.052 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -6.786 -5.779 6.000 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -8.477 -6.049 5.629 1.00 0.00 H new ATOM 0 HE ARG A 57 -8.129 -6.882 8.299 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -8.264 -3.936 6.364 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -8.443 -2.879 7.768 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -8.306 -5.506 10.100 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -8.467 -3.763 9.866 1.00 0.00 H new ATOM 908 N ASP A 58 -10.815 -10.277 6.025 1.00 0.00 N ATOM 909 CA ASP A 58 -12.092 -10.949 5.988 1.00 0.00 C ATOM 910 C ASP A 58 -12.858 -10.501 4.762 1.00 0.00 C ATOM 911 O ASP A 58 -13.028 -11.247 3.809 1.00 0.00 O ATOM 912 CB ASP A 58 -12.890 -10.680 7.261 1.00 0.00 C ATOM 913 CG ASP A 58 -14.111 -11.562 7.375 1.00 0.00 C ATOM 914 OD1 ASP A 58 -13.975 -12.721 7.842 1.00 0.00 O ATOM 915 OD2 ASP A 58 -15.219 -11.122 7.037 1.00 0.00 O ATOM 0 H ASP A 58 -10.865 -9.259 6.052 1.00 0.00 H new ATOM 0 HA ASP A 58 -11.926 -12.025 5.931 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -12.249 -10.838 8.128 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -13.198 -9.635 7.279 1.00 0.00 H new ATOM 920 N ASP A 59 -13.233 -9.241 4.768 1.00 0.00 N ATOM 921 CA ASP A 59 -14.016 -8.645 3.687 1.00 0.00 C ATOM 922 C ASP A 59 -13.130 -8.074 2.622 1.00 0.00 C ATOM 923 O ASP A 59 -13.589 -7.781 1.524 1.00 0.00 O ATOM 924 CB ASP A 59 -14.906 -7.523 4.203 1.00 0.00 C ATOM 925 CG ASP A 59 -15.945 -7.982 5.163 1.00 0.00 C ATOM 926 OD1 ASP A 59 -16.887 -8.669 4.745 1.00 0.00 O ATOM 927 OD2 ASP A 59 -15.863 -7.619 6.356 1.00 0.00 O ATOM 0 H ASP A 59 -13.007 -8.592 5.521 1.00 0.00 H new ATOM 0 HA ASP A 59 -14.628 -9.446 3.272 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -14.284 -6.770 4.686 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -15.393 -7.039 3.357 1.00 0.00 H new ATOM 932 N ARG A 60 -11.868 -7.902 2.963 1.00 0.00 N ATOM 933 CA ARG A 60 -10.876 -7.326 2.100 1.00 0.00 C ATOM 934 C ARG A 60 -10.815 -8.051 0.771 1.00 0.00 C ATOM 935 O ARG A 60 -10.819 -9.280 0.708 1.00 0.00 O ATOM 936 CB ARG A 60 -9.542 -7.335 2.846 1.00 0.00 C ATOM 937 CG ARG A 60 -8.425 -6.497 2.278 1.00 0.00 C ATOM 938 CD ARG A 60 -7.621 -7.131 1.159 1.00 0.00 C ATOM 939 NE ARG A 60 -6.641 -8.136 1.631 1.00 0.00 N ATOM 940 CZ ARG A 60 -5.906 -8.914 0.807 1.00 0.00 C ATOM 941 NH1 ARG A 60 -6.127 -8.888 -0.489 1.00 0.00 N ATOM 942 NH2 ARG A 60 -4.944 -9.691 1.288 1.00 0.00 N ATOM 0 H ARG A 60 -11.502 -8.170 3.877 1.00 0.00 H new ATOM 0 HA ARG A 60 -11.134 -6.296 1.853 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -9.725 -7.004 3.868 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -9.194 -8.367 2.902 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -8.849 -5.563 1.910 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -7.743 -6.239 3.088 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -8.305 -7.605 0.455 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -7.093 -6.349 0.614 1.00 0.00 H new ATOM 0 HE ARG A 60 -6.514 -8.247 2.637 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -6.852 -8.281 -0.871 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -5.573 -9.475 -1.113 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -4.753 -9.705 2.290 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -4.396 -10.274 0.656 1.00 0.00 H new ATOM 956 N GLU A 61 -10.784 -7.283 -0.252 1.00 0.00 N ATOM 957 CA GLU A 61 -10.748 -7.787 -1.611 1.00 0.00 C ATOM 958 C GLU A 61 -9.383 -8.389 -1.871 1.00 0.00 C ATOM 959 O GLU A 61 -8.352 -7.718 -1.686 1.00 0.00 O ATOM 960 CB GLU A 61 -11.023 -6.655 -2.603 1.00 0.00 C ATOM 961 CG GLU A 61 -11.040 -7.083 -4.053 1.00 0.00 C ATOM 962 CD GLU A 61 -12.159 -8.024 -4.359 1.00 0.00 C ATOM 963 OE1 GLU A 61 -13.295 -7.566 -4.545 1.00 0.00 O ATOM 964 OE2 GLU A 61 -11.925 -9.237 -4.433 1.00 0.00 O ATOM 0 H GLU A 61 -10.782 -6.265 -0.189 1.00 0.00 H new ATOM 0 HA GLU A 61 -11.517 -8.548 -1.740 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -11.984 -6.201 -2.360 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -10.264 -5.883 -2.474 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -11.127 -6.201 -4.688 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -10.091 -7.560 -4.299 1.00 0.00 H new ATOM 971 N ASP A 62 -9.347 -9.620 -2.301 1.00 0.00 N ATOM 972 CA ASP A 62 -8.073 -10.294 -2.491 1.00 0.00 C ATOM 973 C ASP A 62 -7.516 -9.960 -3.851 1.00 0.00 C ATOM 974 O ASP A 62 -7.605 -10.738 -4.793 1.00 0.00 O ATOM 975 CB ASP A 62 -8.170 -11.814 -2.271 1.00 0.00 C ATOM 976 CG ASP A 62 -6.813 -12.519 -2.178 1.00 0.00 C ATOM 977 OD1 ASP A 62 -6.258 -12.945 -3.217 1.00 0.00 O ATOM 978 OD2 ASP A 62 -6.310 -12.711 -1.049 1.00 0.00 O ATOM 0 H ASP A 62 -10.169 -10.179 -2.527 1.00 0.00 H new ATOM 0 HA ASP A 62 -7.384 -9.928 -1.730 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -8.729 -12.003 -1.355 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -8.741 -12.253 -3.089 1.00 0.00 H new ATOM 983 N SER A 63 -7.087 -8.736 -3.981 1.00 0.00 N ATOM 984 CA SER A 63 -6.486 -8.273 -5.169 1.00 0.00 C ATOM 985 C SER A 63 -5.463 -7.223 -4.782 1.00 0.00 C ATOM 986 O SER A 63 -5.518 -6.710 -3.639 1.00 0.00 O ATOM 987 CB SER A 63 -7.577 -7.648 -6.054 1.00 0.00 C ATOM 988 OG SER A 63 -8.194 -6.543 -5.400 1.00 0.00 O ATOM 0 H SER A 63 -7.153 -8.033 -3.245 1.00 0.00 H new ATOM 0 HA SER A 63 -6.002 -9.081 -5.717 1.00 0.00 H new ATOM 0 HB2 SER A 63 -7.141 -7.320 -6.997 1.00 0.00 H new ATOM 0 HB3 SER A 63 -8.329 -8.399 -6.295 1.00 0.00 H new ATOM 0 HG SER A 63 -9.065 -6.363 -5.812 1.00 0.00 H new ATOM 994 N PRO A 64 -4.509 -6.877 -5.688 1.00 0.00 N ATOM 995 CA PRO A 64 -3.593 -5.758 -5.466 1.00 0.00 C ATOM 996 C PRO A 64 -4.410 -4.471 -5.216 1.00 0.00 C ATOM 997 O PRO A 64 -4.009 -3.601 -4.470 1.00 0.00 O ATOM 998 CB PRO A 64 -2.797 -5.680 -6.807 1.00 0.00 C ATOM 999 CG PRO A 64 -2.863 -7.059 -7.345 1.00 0.00 C ATOM 1000 CD PRO A 64 -4.215 -7.587 -6.959 1.00 0.00 C ATOM 0 HA PRO A 64 -2.937 -5.878 -4.604 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -3.243 -4.962 -7.495 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -1.767 -5.365 -6.642 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -2.737 -7.062 -8.428 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -2.068 -7.679 -6.930 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -4.963 -7.373 -7.722 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -4.200 -8.668 -6.822 1.00 0.00 H new ATOM 1008 N GLU A 65 -5.597 -4.429 -5.806 1.00 0.00 N ATOM 1009 CA GLU A 65 -6.515 -3.315 -5.672 1.00 0.00 C ATOM 1010 C GLU A 65 -7.058 -3.216 -4.243 1.00 0.00 C ATOM 1011 O GLU A 65 -6.995 -2.159 -3.626 1.00 0.00 O ATOM 1012 CB GLU A 65 -7.674 -3.482 -6.652 1.00 0.00 C ATOM 1013 CG GLU A 65 -7.254 -3.537 -8.111 1.00 0.00 C ATOM 1014 CD GLU A 65 -8.417 -3.768 -9.036 1.00 0.00 C ATOM 1015 OE1 GLU A 65 -9.270 -2.883 -9.161 1.00 0.00 O ATOM 1016 OE2 GLU A 65 -8.476 -4.843 -9.677 1.00 0.00 O ATOM 0 H GLU A 65 -5.951 -5.180 -6.399 1.00 0.00 H new ATOM 0 HA GLU A 65 -5.973 -2.397 -5.896 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -8.214 -4.397 -6.406 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -8.371 -2.655 -6.517 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -6.760 -2.603 -8.379 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -6.523 -4.334 -8.246 1.00 0.00 H new ATOM 1023 N GLY A 66 -7.552 -4.336 -3.728 1.00 0.00 N ATOM 1024 CA GLY A 66 -8.154 -4.389 -2.403 1.00 0.00 C ATOM 1025 C GLY A 66 -7.233 -3.942 -1.294 1.00 0.00 C ATOM 1026 O GLY A 66 -7.647 -3.261 -0.367 1.00 0.00 O ATOM 0 H GLY A 66 -7.546 -5.231 -4.217 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -9.047 -3.763 -2.395 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -8.479 -5.410 -2.203 1.00 0.00 H new ATOM 1030 N ILE A 67 -5.982 -4.321 -1.404 1.00 0.00 N ATOM 1031 CA ILE A 67 -4.957 -3.964 -0.422 1.00 0.00 C ATOM 1032 C ILE A 67 -4.789 -2.439 -0.346 1.00 0.00 C ATOM 1033 O ILE A 67 -4.796 -1.850 0.725 1.00 0.00 O ATOM 1034 CB ILE A 67 -3.630 -4.670 -0.794 1.00 0.00 C ATOM 1035 CG1 ILE A 67 -3.822 -6.190 -0.654 1.00 0.00 C ATOM 1036 CG2 ILE A 67 -2.460 -4.168 0.058 1.00 0.00 C ATOM 1037 CD1 ILE A 67 -2.684 -7.028 -1.178 1.00 0.00 C ATOM 0 H ILE A 67 -5.634 -4.889 -2.177 1.00 0.00 H new ATOM 0 HA ILE A 67 -5.263 -4.301 0.569 1.00 0.00 H new ATOM 0 HB ILE A 67 -3.376 -4.432 -1.827 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -3.972 -6.426 0.399 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -4.734 -6.475 -1.178 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -1.548 -4.688 -0.234 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -2.332 -3.096 -0.095 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -2.667 -4.362 1.110 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -2.913 -8.084 -1.034 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -2.544 -6.828 -2.240 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -1.770 -6.779 -0.639 1.00 0.00 H new ATOM 1049 N VAL A 68 -4.694 -1.837 -1.489 1.00 0.00 N ATOM 1050 CA VAL A 68 -4.583 -0.397 -1.643 1.00 0.00 C ATOM 1051 C VAL A 68 -5.879 0.286 -1.220 1.00 0.00 C ATOM 1052 O VAL A 68 -5.874 1.420 -0.711 1.00 0.00 O ATOM 1053 CB VAL A 68 -4.274 -0.072 -3.113 1.00 0.00 C ATOM 1054 CG1 VAL A 68 -4.124 1.431 -3.345 1.00 0.00 C ATOM 1055 CG2 VAL A 68 -3.022 -0.793 -3.500 1.00 0.00 C ATOM 0 H VAL A 68 -4.690 -2.338 -2.377 1.00 0.00 H new ATOM 0 HA VAL A 68 -3.778 -0.029 -1.007 1.00 0.00 H new ATOM 0 HB VAL A 68 -5.108 -0.401 -3.733 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -3.906 1.617 -4.397 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -5.051 1.936 -3.072 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -3.308 1.814 -2.732 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -2.784 -0.576 -4.541 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -2.201 -0.463 -2.864 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -3.167 -1.866 -3.377 1.00 0.00 H new ATOM 1065 N LYS A 69 -6.979 -0.399 -1.397 1.00 0.00 N ATOM 1066 CA LYS A 69 -8.245 0.153 -1.035 1.00 0.00 C ATOM 1067 C LYS A 69 -8.380 0.210 0.471 1.00 0.00 C ATOM 1068 O LYS A 69 -8.970 1.143 1.002 1.00 0.00 O ATOM 1069 CB LYS A 69 -9.401 -0.612 -1.619 1.00 0.00 C ATOM 1070 CG LYS A 69 -10.612 0.261 -1.611 1.00 0.00 C ATOM 1071 CD LYS A 69 -11.803 -0.352 -2.217 1.00 0.00 C ATOM 1072 CE LYS A 69 -12.904 0.678 -2.242 1.00 0.00 C ATOM 1073 NZ LYS A 69 -14.138 0.147 -2.845 1.00 0.00 N ATOM 0 H LYS A 69 -7.017 -1.339 -1.790 1.00 0.00 H new ATOM 0 HA LYS A 69 -8.279 1.160 -1.450 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -9.169 -0.926 -2.637 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -9.585 -1.517 -1.040 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -10.842 0.534 -0.581 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -10.383 1.185 -2.142 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -11.581 -0.695 -3.227 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -12.113 -1.226 -1.644 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -13.111 1.013 -1.226 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -12.572 1.551 -2.804 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -14.871 0.885 -2.844 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -13.947 -0.149 -3.823 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -14.469 -0.671 -2.294 1.00 0.00 H new ATOM 1087 N GLU A 70 -7.820 -0.783 1.154 1.00 0.00 N ATOM 1088 CA GLU A 70 -7.772 -0.782 2.609 1.00 0.00 C ATOM 1089 C GLU A 70 -7.074 0.472 3.075 1.00 0.00 C ATOM 1090 O GLU A 70 -7.492 1.106 4.033 1.00 0.00 O ATOM 1091 CB GLU A 70 -7.003 -1.988 3.129 1.00 0.00 C ATOM 1092 CG GLU A 70 -7.646 -3.312 2.848 1.00 0.00 C ATOM 1093 CD GLU A 70 -8.963 -3.480 3.545 1.00 0.00 C ATOM 1094 OE1 GLU A 70 -8.975 -3.700 4.776 1.00 0.00 O ATOM 1095 OE2 GLU A 70 -10.006 -3.435 2.884 1.00 0.00 O ATOM 0 H GLU A 70 -7.392 -1.601 0.720 1.00 0.00 H new ATOM 0 HA GLU A 70 -8.792 -0.823 2.990 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -6.006 -1.983 2.688 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -6.876 -1.883 4.206 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -7.793 -3.418 1.773 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -6.972 -4.111 3.158 1.00 0.00 H new ATOM 1102 N ILE A 71 -6.030 0.843 2.348 1.00 0.00 N ATOM 1103 CA ILE A 71 -5.267 2.029 2.665 1.00 0.00 C ATOM 1104 C ILE A 71 -6.157 3.259 2.503 1.00 0.00 C ATOM 1105 O ILE A 71 -6.236 4.098 3.416 1.00 0.00 O ATOM 1106 CB ILE A 71 -4.031 2.232 1.738 1.00 0.00 C ATOM 1107 CG1 ILE A 71 -3.253 0.932 1.470 1.00 0.00 C ATOM 1108 CG2 ILE A 71 -3.100 3.289 2.319 1.00 0.00 C ATOM 1109 CD1 ILE A 71 -2.680 0.240 2.668 1.00 0.00 C ATOM 0 H ILE A 71 -5.695 0.333 1.531 1.00 0.00 H new ATOM 0 HA ILE A 71 -4.914 1.901 3.688 1.00 0.00 H new ATOM 0 HB ILE A 71 -4.419 2.569 0.777 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -3.917 0.236 0.958 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -2.437 1.157 0.783 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -2.241 3.419 1.660 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -3.635 4.235 2.410 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -2.757 2.970 3.303 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -2.156 -0.662 2.351 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -1.982 0.907 3.174 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -3.485 -0.029 3.352 1.00 0.00 H new ATOM 1121 N LYS A 72 -6.838 3.356 1.344 1.00 0.00 N ATOM 1122 CA LYS A 72 -7.655 4.485 1.050 1.00 0.00 C ATOM 1123 C LYS A 72 -8.801 4.588 2.029 1.00 0.00 C ATOM 1124 O LYS A 72 -8.904 5.569 2.694 1.00 0.00 O ATOM 1125 CB LYS A 72 -8.140 4.490 -0.429 1.00 0.00 C ATOM 1126 CG LYS A 72 -9.461 3.783 -0.752 1.00 0.00 C ATOM 1127 CD LYS A 72 -9.722 3.704 -2.256 1.00 0.00 C ATOM 1128 CE LYS A 72 -9.887 5.092 -2.858 1.00 0.00 C ATOM 1129 NZ LYS A 72 -10.257 5.047 -4.280 1.00 0.00 N ATOM 0 H LYS A 72 -6.819 2.647 0.611 1.00 0.00 H new ATOM 0 HA LYS A 72 -7.041 5.378 1.168 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -8.229 5.528 -0.748 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -7.359 4.035 -1.039 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -9.443 2.776 -0.335 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -10.282 4.314 -0.270 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -8.895 3.188 -2.745 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -10.620 3.115 -2.442 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -10.651 5.637 -2.304 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -8.956 5.647 -2.745 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -10.001 5.947 -4.734 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -9.750 4.268 -4.746 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -11.282 4.895 -4.367 1.00 0.00 H new ATOM 1143 N GLU A 73 -9.576 3.516 2.192 1.00 0.00 N ATOM 1144 CA GLU A 73 -10.779 3.541 3.006 1.00 0.00 C ATOM 1145 C GLU A 73 -10.480 3.811 4.462 1.00 0.00 C ATOM 1146 O GLU A 73 -11.229 4.525 5.128 1.00 0.00 O ATOM 1147 CB GLU A 73 -11.583 2.248 2.862 1.00 0.00 C ATOM 1148 CG GLU A 73 -12.211 2.037 1.490 1.00 0.00 C ATOM 1149 CD GLU A 73 -13.260 3.074 1.153 1.00 0.00 C ATOM 1150 OE1 GLU A 73 -14.420 2.947 1.614 1.00 0.00 O ATOM 1151 OE2 GLU A 73 -12.968 4.012 0.392 1.00 0.00 O ATOM 0 H GLU A 73 -9.384 2.611 1.763 1.00 0.00 H new ATOM 0 HA GLU A 73 -11.384 4.367 2.632 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -10.929 1.404 3.081 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -12.373 2.242 3.613 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -11.429 2.060 0.731 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -12.663 1.046 1.452 1.00 0.00 H new ATOM 1158 N TRP A 74 -9.374 3.281 4.946 1.00 0.00 N ATOM 1159 CA TRP A 74 -9.000 3.458 6.323 1.00 0.00 C ATOM 1160 C TRP A 74 -8.549 4.894 6.558 1.00 0.00 C ATOM 1161 O TRP A 74 -9.073 5.581 7.431 1.00 0.00 O ATOM 1162 CB TRP A 74 -7.912 2.465 6.668 1.00 0.00 C ATOM 1163 CG TRP A 74 -7.462 2.469 8.080 1.00 0.00 C ATOM 1164 CD1 TRP A 74 -8.090 1.909 9.145 1.00 0.00 C ATOM 1165 CD2 TRP A 74 -6.252 3.019 8.568 1.00 0.00 C ATOM 1166 NE1 TRP A 74 -7.335 2.086 10.264 1.00 0.00 N ATOM 1167 CE2 TRP A 74 -6.204 2.768 9.937 1.00 0.00 C ATOM 1168 CE3 TRP A 74 -5.210 3.701 7.968 1.00 0.00 C ATOM 1169 CZ2 TRP A 74 -5.146 3.174 10.724 1.00 0.00 C ATOM 1170 CZ3 TRP A 74 -4.151 4.115 8.723 1.00 0.00 C ATOM 1171 CH2 TRP A 74 -4.122 3.844 10.103 1.00 0.00 C ATOM 0 H TRP A 74 -8.720 2.723 4.398 1.00 0.00 H new ATOM 0 HA TRP A 74 -9.854 3.273 6.974 1.00 0.00 H new ATOM 0 HB2 TRP A 74 -8.268 1.464 6.422 1.00 0.00 H new ATOM 0 HB3 TRP A 74 -7.050 2.662 6.031 1.00 0.00 H new ATOM 0 HD1 TRP A 74 -9.042 1.401 9.110 1.00 0.00 H new ATOM 0 HE1 TRP A 74 -7.579 1.759 11.199 1.00 0.00 H new ATOM 0 HE3 TRP A 74 -5.234 3.905 6.908 1.00 0.00 H new ATOM 0 HZ2 TRP A 74 -5.125 2.973 11.785 1.00 0.00 H new ATOM 0 HZ3 TRP A 74 -3.335 4.651 8.261 1.00 0.00 H new ATOM 0 HH2 TRP A 74 -3.274 4.171 10.687 1.00 0.00 H new ATOM 1182 N ARG A 75 -7.638 5.374 5.729 1.00 0.00 N ATOM 1183 CA ARG A 75 -7.136 6.733 5.861 1.00 0.00 C ATOM 1184 C ARG A 75 -8.212 7.751 5.526 1.00 0.00 C ATOM 1185 O ARG A 75 -8.232 8.854 6.081 1.00 0.00 O ATOM 1186 CB ARG A 75 -5.835 6.926 5.062 1.00 0.00 C ATOM 1187 CG ARG A 75 -4.697 6.127 5.684 1.00 0.00 C ATOM 1188 CD ARG A 75 -3.359 6.288 5.000 1.00 0.00 C ATOM 1189 NE ARG A 75 -2.989 7.687 4.773 1.00 0.00 N ATOM 1190 CZ ARG A 75 -1.869 8.277 5.227 1.00 0.00 C ATOM 1191 NH1 ARG A 75 -1.041 7.639 6.027 1.00 0.00 N ATOM 1192 NH2 ARG A 75 -1.606 9.513 4.879 1.00 0.00 N ATOM 0 H ARG A 75 -7.231 4.845 4.958 1.00 0.00 H new ATOM 0 HA ARG A 75 -6.874 6.907 6.905 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -5.986 6.610 4.030 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -5.572 7.983 5.036 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -4.593 6.423 6.728 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -4.968 5.071 5.677 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -2.589 5.810 5.606 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -3.383 5.766 4.044 1.00 0.00 H new ATOM 0 HE ARG A 75 -3.632 8.260 4.227 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -1.244 6.681 6.312 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -0.196 8.103 6.361 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -2.248 10.019 4.269 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -0.759 9.969 5.218 1.00 0.00 H new ATOM 1206 N ALA A 76 -9.139 7.347 4.682 1.00 0.00 N ATOM 1207 CA ALA A 76 -10.290 8.148 4.318 1.00 0.00 C ATOM 1208 C ALA A 76 -11.242 8.285 5.513 1.00 0.00 C ATOM 1209 O ALA A 76 -11.823 9.334 5.733 1.00 0.00 O ATOM 1210 CB ALA A 76 -11.023 7.517 3.106 1.00 0.00 C ATOM 0 H ALA A 76 -9.113 6.437 4.222 1.00 0.00 H new ATOM 0 HA ALA A 76 -9.948 9.143 4.034 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -11.886 8.129 2.843 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -10.343 7.465 2.256 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -11.357 6.512 3.365 1.00 0.00 H new ATOM 1216 N ALA A 77 -11.347 7.223 6.315 1.00 0.00 N ATOM 1217 CA ALA A 77 -12.271 7.187 7.449 1.00 0.00 C ATOM 1218 C ALA A 77 -11.644 7.849 8.641 1.00 0.00 C ATOM 1219 O ALA A 77 -12.320 8.430 9.497 1.00 0.00 O ATOM 1220 CB ALA A 77 -12.652 5.753 7.788 1.00 0.00 C ATOM 0 H ALA A 77 -10.799 6.371 6.198 1.00 0.00 H new ATOM 0 HA ALA A 77 -13.177 7.727 7.175 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -13.339 5.749 8.634 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -13.134 5.291 6.926 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -11.755 5.190 8.047 1.00 0.00 H new ATOM 1226 N ASN A 78 -10.344 7.731 8.697 1.00 0.00 N ATOM 1227 CA ASN A 78 -9.549 8.274 9.759 1.00 0.00 C ATOM 1228 C ASN A 78 -9.407 9.779 9.664 1.00 0.00 C ATOM 1229 O ASN A 78 -9.217 10.448 10.672 1.00 0.00 O ATOM 1230 CB ASN A 78 -8.165 7.633 9.779 1.00 0.00 C ATOM 1231 CG ASN A 78 -8.070 6.268 10.464 1.00 0.00 C ATOM 1232 OD1 ASN A 78 -7.030 5.944 11.004 1.00 0.00 O ATOM 1233 ND2 ASN A 78 -9.111 5.473 10.441 1.00 0.00 N ATOM 0 H ASN A 78 -9.798 7.242 7.987 1.00 0.00 H new ATOM 0 HA ASN A 78 -10.073 8.046 10.687 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -7.820 7.526 8.750 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -7.477 8.316 10.277 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -9.062 4.555 10.884 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -9.971 5.772 9.980 1.00 0.00 H new ATOM 1240 N GLY A 79 -9.513 10.309 8.468 1.00 0.00 N ATOM 1241 CA GLY A 79 -9.335 11.733 8.280 1.00 0.00 C ATOM 1242 C GLY A 79 -7.882 12.050 8.055 1.00 0.00 C ATOM 1243 O GLY A 79 -7.350 13.049 8.544 1.00 0.00 O ATOM 0 H GLY A 79 -9.719 9.784 7.618 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -9.925 12.071 7.428 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -9.701 12.271 9.154 1.00 0.00 H new ATOM 1247 N LYS A 80 -7.234 11.169 7.344 1.00 0.00 N ATOM 1248 CA LYS A 80 -5.862 11.288 7.029 1.00 0.00 C ATOM 1249 C LYS A 80 -5.701 11.720 5.597 1.00 0.00 C ATOM 1250 O LYS A 80 -6.691 12.004 4.898 1.00 0.00 O ATOM 1251 CB LYS A 80 -5.198 9.950 7.220 1.00 0.00 C ATOM 1252 CG LYS A 80 -5.069 9.525 8.671 1.00 0.00 C ATOM 1253 CD LYS A 80 -4.625 8.089 8.780 1.00 0.00 C ATOM 1254 CE LYS A 80 -4.170 7.729 10.192 1.00 0.00 C ATOM 1255 NZ LYS A 80 -5.189 7.952 11.246 1.00 0.00 N ATOM 0 H LYS A 80 -7.670 10.329 6.963 1.00 0.00 H new ATOM 0 HA LYS A 80 -5.403 12.031 7.681 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -5.767 9.193 6.680 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -4.205 9.982 6.772 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -4.352 10.170 9.179 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -6.026 9.652 9.177 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -5.446 7.434 8.487 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -3.808 7.909 8.081 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -3.874 6.680 10.208 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -3.283 8.314 10.434 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -4.730 7.947 12.179 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -5.652 8.871 11.093 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -5.901 7.195 11.206 1.00 0.00 H new ATOM 1269 N SER A 81 -4.482 11.753 5.168 1.00 0.00 N ATOM 1270 CA SER A 81 -4.136 12.101 3.834 1.00 0.00 C ATOM 1271 C SER A 81 -4.384 10.902 2.924 1.00 0.00 C ATOM 1272 O SER A 81 -4.281 9.734 3.367 1.00 0.00 O ATOM 1273 CB SER A 81 -2.678 12.515 3.842 1.00 0.00 C ATOM 1274 OG SER A 81 -2.214 12.973 2.586 1.00 0.00 O ATOM 0 H SER A 81 -3.678 11.532 5.755 1.00 0.00 H new ATOM 0 HA SER A 81 -4.741 12.925 3.456 1.00 0.00 H new ATOM 0 HB2 SER A 81 -2.536 13.303 4.582 1.00 0.00 H new ATOM 0 HB3 SER A 81 -2.070 11.668 4.158 1.00 0.00 H new ATOM 0 HG SER A 81 -1.270 13.226 2.658 1.00 0.00 H new ATOM 1280 N GLY A 82 -4.674 11.176 1.689 1.00 0.00 N ATOM 1281 CA GLY A 82 -5.028 10.140 0.749 1.00 0.00 C ATOM 1282 C GLY A 82 -4.176 10.200 -0.483 1.00 0.00 C ATOM 1283 O GLY A 82 -3.170 10.916 -0.505 1.00 0.00 O ATOM 0 H GLY A 82 -4.674 12.118 1.299 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -4.916 9.164 1.222 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -6.077 10.242 0.472 1.00 0.00 H new ATOM 1287 N PHE A 83 -4.569 9.481 -1.509 1.00 0.00 N ATOM 1288 CA PHE A 83 -3.818 9.435 -2.718 1.00 0.00 C ATOM 1289 C PHE A 83 -4.277 10.528 -3.638 1.00 0.00 C ATOM 1290 O PHE A 83 -5.351 11.117 -3.454 1.00 0.00 O ATOM 1291 CB PHE A 83 -4.008 8.105 -3.431 1.00 0.00 C ATOM 1292 CG PHE A 83 -3.772 6.892 -2.579 1.00 0.00 C ATOM 1293 CD1 PHE A 83 -2.518 6.647 -2.061 1.00 0.00 C ATOM 1294 CD2 PHE A 83 -4.800 5.993 -2.295 1.00 0.00 C ATOM 1295 CE1 PHE A 83 -2.285 5.543 -1.282 1.00 0.00 C ATOM 1296 CE2 PHE A 83 -4.562 4.882 -1.513 1.00 0.00 C ATOM 1297 CZ PHE A 83 -3.301 4.660 -1.007 1.00 0.00 C ATOM 0 H PHE A 83 -5.418 8.916 -1.518 1.00 0.00 H new ATOM 0 HA PHE A 83 -2.766 9.560 -2.462 1.00 0.00 H new ATOM 0 HB2 PHE A 83 -5.023 8.062 -3.825 1.00 0.00 H new ATOM 0 HB3 PHE A 83 -3.333 8.068 -4.286 1.00 0.00 H new ATOM 0 HD1 PHE A 83 -1.710 7.332 -2.271 1.00 0.00 H new ATOM 0 HD2 PHE A 83 -5.790 6.168 -2.690 1.00 0.00 H new ATOM 0 HE1 PHE A 83 -1.297 5.367 -0.882 1.00 0.00 H new ATOM 0 HE2 PHE A 83 -5.362 4.189 -1.298 1.00 0.00 H new ATOM 0 HZ PHE A 83 -3.110 3.792 -0.394 1.00 0.00 H new ATOM 1307 N LYS A 84 -3.491 10.791 -4.615 1.00 0.00 N ATOM 1308 CA LYS A 84 -3.808 11.772 -5.591 1.00 0.00 C ATOM 1309 C LYS A 84 -4.676 11.152 -6.686 1.00 0.00 C ATOM 1310 O LYS A 84 -4.456 10.021 -7.105 1.00 0.00 O ATOM 1311 CB LYS A 84 -2.512 12.329 -6.147 1.00 0.00 C ATOM 1312 CG LYS A 84 -2.658 13.388 -7.230 1.00 0.00 C ATOM 1313 CD LYS A 84 -1.303 13.913 -7.687 1.00 0.00 C ATOM 1314 CE LYS A 84 -0.519 14.561 -6.551 1.00 0.00 C ATOM 1315 NZ LYS A 84 -1.230 15.714 -5.959 1.00 0.00 N ATOM 0 H LYS A 84 -2.596 10.326 -4.764 1.00 0.00 H new ATOM 0 HA LYS A 84 -4.379 12.588 -5.148 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -1.938 12.755 -5.324 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -1.926 11.503 -6.550 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -3.192 12.967 -8.082 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -3.261 14.214 -6.853 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -0.720 13.092 -8.105 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -1.448 14.640 -8.486 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -0.328 13.819 -5.776 1.00 0.00 H new ATOM 0 HE3 LYS A 84 0.451 14.889 -6.924 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -0.609 16.191 -5.275 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -1.495 16.382 -6.711 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -2.088 15.381 -5.474 1.00 0.00 H new ATOM 1329 N GLN A 85 -5.675 11.876 -7.103 1.00 0.00 N ATOM 1330 CA GLN A 85 -6.571 11.431 -8.181 1.00 0.00 C ATOM 1331 C GLN A 85 -6.478 12.410 -9.332 1.00 0.00 C ATOM 1332 O GLN A 85 -7.272 12.396 -10.276 1.00 0.00 O ATOM 1333 CB GLN A 85 -8.037 11.305 -7.691 1.00 0.00 C ATOM 1334 CG GLN A 85 -8.745 12.619 -7.271 1.00 0.00 C ATOM 1335 CD GLN A 85 -8.139 13.302 -6.051 1.00 0.00 C ATOM 1336 OE1 GLN A 85 -7.253 14.250 -6.262 1.00 0.00 O flip ATOM 1337 NE2 GLN A 85 -8.505 13.004 -4.919 1.00 0.00 N flip ATOM 0 H GLN A 85 -5.908 12.792 -6.719 1.00 0.00 H new ATOM 0 HA GLN A 85 -6.258 10.440 -8.510 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -8.623 10.841 -8.485 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -8.055 10.622 -6.842 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -8.721 13.314 -8.110 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -9.794 12.402 -7.067 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -9.194 12.264 -4.784 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -8.120 13.496 -4.113 1.00 0.00 H new ATOM 1346 N GLY A 86 -5.477 13.209 -9.241 1.00 0.00 N ATOM 1347 CA GLY A 86 -5.251 14.281 -10.149 1.00 0.00 C ATOM 1348 C GLY A 86 -5.208 15.546 -9.356 1.00 0.00 C ATOM 1349 O GLY A 86 -4.510 16.498 -9.732 1.00 0.00 O ATOM 1350 OXT GLY A 86 -5.848 15.580 -8.275 1.00 0.00 O ATOM 0 H GLY A 86 -4.769 13.135 -8.511 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -4.315 14.135 -10.688 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -6.044 14.324 -10.895 1.00 0.00 H new