USER MOD reduce.3.24.130724 H: found=0, std=0, add=692, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 693 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 73 GLN : amide:sc= -0.0109 X(o=-0.011,f=-0.21) USER MOD Set 1.2: A 100 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 79 SER OG : rot -174:sc= -3.17! USER MOD Set 2.2: A 99 TYR OH : rot -15:sc= -0.625 USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 15 MET CE :methyl 175:sc= 0 (180deg=-0.0229) USER MOD Single : A 16 LYS NZ :NH3+ -126:sc= -0.716 (180deg=-2.37!) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.0139) USER MOD Single : A 26 ASN : amide:sc= 0.195 K(o=0.19,f=-7.1!) USER MOD Single : A 35 ASN : amide:sc= -0.074 X(o=-0.074,f=0) USER MOD Single : A 36 HIS : no HD1:sc= -0.373 X(o=-0.37,f=-0.026) USER MOD Single : A 37 CYS SG : rot 180:sc= -0.611 USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 50 ASN : amide:sc= 0.13 X(o=0.13,f=0) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 ASN : amide:sc= -1.5! C(o=-1.5!,f=-1.2!) USER MOD Single : A 57 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 61 MET CE :methyl -160:sc= -0.107 (180deg=-0.953) USER MOD Single : A 63 SER OG : rot -145:sc= 0.73 USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 ASN : amide:sc= 0.117 K(o=0.12,f=-3.6!) USER MOD Single : A 89 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 94 SER OG : rot 180:sc= -0.756 USER MOD Single : A 104 SER OG : rot -131:sc= 0.0187 USER MOD ----------------------------------------------------------------- ATOM 66 N LEU A 8 -7.097 -1.381 5.758 1.00 0.00 N ATOM 67 CA LEU A 8 -6.736 -2.094 4.544 1.00 0.00 C ATOM 68 C LEU A 8 -7.785 -1.817 3.465 1.00 0.00 C ATOM 69 O LEU A 8 -7.451 -1.369 2.369 1.00 0.00 O ATOM 70 CB LEU A 8 -6.532 -3.582 4.836 1.00 0.00 C ATOM 71 CG LEU A 8 -5.540 -3.916 5.952 1.00 0.00 C ATOM 72 CD1 LEU A 8 -5.437 -5.428 6.159 1.00 0.00 C ATOM 73 CD2 LEU A 8 -4.175 -3.280 5.681 1.00 0.00 C ATOM 0 HA LEU A 8 -5.781 -1.735 4.161 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -7.498 -4.017 5.093 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -6.196 -4.069 3.921 1.00 0.00 H new ATOM 0 HG LEU A 8 -5.915 -3.488 6.882 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -4.726 -5.638 6.958 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -6.415 -5.826 6.430 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -5.097 -5.899 5.237 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -3.489 -3.533 6.489 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -3.779 -3.656 4.738 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -4.283 -2.197 5.623 1.00 0.00 H new ATOM 85 N GLY A 9 -9.033 -2.097 3.812 1.00 0.00 N ATOM 86 CA GLY A 9 -10.133 -1.884 2.887 1.00 0.00 C ATOM 87 C GLY A 9 -9.881 -0.656 2.009 1.00 0.00 C ATOM 88 O GLY A 9 -9.561 -0.787 0.829 1.00 0.00 O ATOM 0 H GLY A 9 -9.307 -2.470 4.721 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -10.260 -2.765 2.258 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -11.061 -1.753 3.444 1.00 0.00 H new ATOM 92 N ALA A 10 -10.035 0.510 2.620 1.00 0.00 N ATOM 93 CA ALA A 10 -9.829 1.760 1.909 1.00 0.00 C ATOM 94 C ALA A 10 -8.566 1.651 1.051 1.00 0.00 C ATOM 95 O ALA A 10 -8.557 2.078 -0.102 1.00 0.00 O ATOM 96 CB ALA A 10 -9.755 2.912 2.913 1.00 0.00 C ATOM 0 H ALA A 10 -10.300 0.615 3.599 1.00 0.00 H new ATOM 0 HA ALA A 10 -10.665 1.964 1.240 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -9.600 3.850 2.380 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -10.687 2.964 3.476 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -8.925 2.744 3.599 1.00 0.00 H new ATOM 102 N LEU A 11 -7.532 1.079 1.648 1.00 0.00 N ATOM 103 CA LEU A 11 -6.267 0.909 0.954 1.00 0.00 C ATOM 104 C LEU A 11 -6.479 0.021 -0.274 1.00 0.00 C ATOM 105 O LEU A 11 -6.070 0.374 -1.379 1.00 0.00 O ATOM 106 CB LEU A 11 -5.195 0.387 1.912 1.00 0.00 C ATOM 107 CG LEU A 11 -4.177 -0.587 1.315 1.00 0.00 C ATOM 108 CD1 LEU A 11 -3.437 0.049 0.136 1.00 0.00 C ATOM 109 CD2 LEU A 11 -3.214 -1.100 2.387 1.00 0.00 C ATOM 0 H LEU A 11 -7.544 0.727 2.605 1.00 0.00 H new ATOM 0 HA LEU A 11 -5.899 1.870 0.594 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -4.655 1.241 2.321 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -5.692 -0.105 2.748 1.00 0.00 H new ATOM 0 HG LEU A 11 -4.717 -1.451 0.928 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -2.719 -0.664 -0.270 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -4.154 0.324 -0.638 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -2.910 0.941 0.475 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -2.501 -1.790 1.936 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -2.677 -0.259 2.826 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -3.777 -1.617 3.165 1.00 0.00 H new ATOM 121 N TYR A 12 -7.119 -1.116 -0.039 1.00 0.00 N ATOM 122 CA TYR A 12 -7.390 -2.057 -1.112 1.00 0.00 C ATOM 123 C TYR A 12 -8.238 -1.409 -2.208 1.00 0.00 C ATOM 124 O TYR A 12 -7.894 -1.479 -3.387 1.00 0.00 O ATOM 125 CB TYR A 12 -8.185 -3.201 -0.478 1.00 0.00 C ATOM 126 CG TYR A 12 -8.788 -4.175 -1.491 1.00 0.00 C ATOM 127 CD1 TYR A 12 -7.967 -5.020 -2.209 1.00 0.00 C ATOM 128 CD2 TYR A 12 -10.154 -4.210 -1.687 1.00 0.00 C ATOM 129 CE1 TYR A 12 -8.535 -5.938 -3.163 1.00 0.00 C ATOM 130 CE2 TYR A 12 -10.722 -5.127 -2.640 1.00 0.00 C ATOM 131 CZ TYR A 12 -9.884 -5.946 -3.331 1.00 0.00 C ATOM 132 OH TYR A 12 -10.420 -6.813 -4.232 1.00 0.00 O ATOM 0 H TYR A 12 -7.457 -1.406 0.879 1.00 0.00 H new ATOM 0 HA TYR A 12 -6.461 -2.396 -1.569 1.00 0.00 H new ATOM 0 HB2 TYR A 12 -7.532 -3.753 0.197 1.00 0.00 H new ATOM 0 HB3 TYR A 12 -8.987 -2.780 0.128 1.00 0.00 H new ATOM 0 HD1 TYR A 12 -6.898 -4.993 -2.056 1.00 0.00 H new ATOM 0 HD2 TYR A 12 -10.797 -3.549 -1.125 1.00 0.00 H new ATOM 0 HE1 TYR A 12 -7.904 -6.605 -3.732 1.00 0.00 H new ATOM 0 HE2 TYR A 12 -11.789 -5.164 -2.803 1.00 0.00 H new ATOM 0 HH TYR A 12 -11.394 -6.709 -4.246 1.00 0.00 H new ATOM 142 N LEU A 13 -9.331 -0.793 -1.781 1.00 0.00 N ATOM 143 CA LEU A 13 -10.230 -0.134 -2.712 1.00 0.00 C ATOM 144 C LEU A 13 -9.414 0.507 -3.836 1.00 0.00 C ATOM 145 O LEU A 13 -9.804 0.450 -5.001 1.00 0.00 O ATOM 146 CB LEU A 13 -11.138 0.852 -1.972 1.00 0.00 C ATOM 147 CG LEU A 13 -12.271 0.233 -1.152 1.00 0.00 C ATOM 148 CD1 LEU A 13 -12.916 1.275 -0.234 1.00 0.00 C ATOM 149 CD2 LEU A 13 -13.299 -0.445 -2.060 1.00 0.00 C ATOM 0 H LEU A 13 -9.614 -0.737 -0.803 1.00 0.00 H new ATOM 0 HA LEU A 13 -10.897 -0.860 -3.176 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -10.521 1.454 -1.305 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -11.575 1.532 -2.703 1.00 0.00 H new ATOM 0 HG LEU A 13 -11.846 -0.541 -0.513 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -13.718 0.809 0.338 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -12.166 1.671 0.450 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -13.324 2.087 -0.836 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -14.093 -0.877 -1.451 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -13.724 0.292 -2.742 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -12.813 -1.234 -2.635 1.00 0.00 H new ATOM 161 N SER A 14 -8.296 1.103 -3.447 1.00 0.00 N ATOM 162 CA SER A 14 -7.422 1.753 -4.408 1.00 0.00 C ATOM 163 C SER A 14 -6.679 0.702 -5.235 1.00 0.00 C ATOM 164 O SER A 14 -6.860 0.620 -6.448 1.00 0.00 O ATOM 165 CB SER A 14 -6.425 2.679 -3.707 1.00 0.00 C ATOM 166 OG SER A 14 -6.654 4.049 -4.024 1.00 0.00 O ATOM 0 H SER A 14 -7.976 1.149 -2.480 1.00 0.00 H new ATOM 0 HA SER A 14 -8.036 2.361 -5.072 1.00 0.00 H new ATOM 0 HB2 SER A 14 -6.498 2.540 -2.628 1.00 0.00 H new ATOM 0 HB3 SER A 14 -5.411 2.405 -3.996 1.00 0.00 H new ATOM 0 HG SER A 14 -5.998 4.607 -3.556 1.00 0.00 H new ATOM 172 N MET A 15 -5.858 -0.076 -4.544 1.00 0.00 N ATOM 173 CA MET A 15 -5.086 -1.118 -5.200 1.00 0.00 C ATOM 174 C MET A 15 -5.979 -1.979 -6.096 1.00 0.00 C ATOM 175 O MET A 15 -5.498 -2.605 -7.040 1.00 0.00 O ATOM 176 CB MET A 15 -4.420 -2.001 -4.143 1.00 0.00 C ATOM 177 CG MET A 15 -3.404 -1.204 -3.324 1.00 0.00 C ATOM 178 SD MET A 15 -2.915 -2.136 -1.882 1.00 0.00 S ATOM 179 CE MET A 15 -1.787 -3.299 -2.633 1.00 0.00 C ATOM 0 H MET A 15 -5.711 -0.006 -3.537 1.00 0.00 H new ATOM 0 HA MET A 15 -4.326 -0.645 -5.822 1.00 0.00 H new ATOM 0 HB2 MET A 15 -5.179 -2.418 -3.481 1.00 0.00 H new ATOM 0 HB3 MET A 15 -3.923 -2.842 -4.627 1.00 0.00 H new ATOM 0 HG2 MET A 15 -2.530 -0.978 -3.935 1.00 0.00 H new ATOM 0 HG3 MET A 15 -3.837 -0.250 -3.021 1.00 0.00 H new ATOM 0 HE1 MET A 15 -1.318 -3.904 -1.857 1.00 0.00 H new ATOM 0 HE2 MET A 15 -2.335 -3.947 -3.317 1.00 0.00 H new ATOM 0 HE3 MET A 15 -1.018 -2.757 -3.184 1.00 0.00 H new ATOM 189 N LYS A 16 -7.263 -1.983 -5.769 1.00 0.00 N ATOM 190 CA LYS A 16 -8.227 -2.757 -6.533 1.00 0.00 C ATOM 191 C LYS A 16 -8.825 -1.877 -7.632 1.00 0.00 C ATOM 192 O LYS A 16 -9.940 -2.122 -8.090 1.00 0.00 O ATOM 193 CB LYS A 16 -9.273 -3.376 -5.604 1.00 0.00 C ATOM 194 CG LYS A 16 -10.516 -2.489 -5.509 1.00 0.00 C ATOM 195 CD LYS A 16 -11.681 -3.091 -6.298 1.00 0.00 C ATOM 196 CE LYS A 16 -12.703 -3.736 -5.361 1.00 0.00 C ATOM 197 NZ LYS A 16 -13.371 -2.706 -4.534 1.00 0.00 N ATOM 0 H LYS A 16 -7.658 -1.463 -4.986 1.00 0.00 H new ATOM 0 HA LYS A 16 -7.736 -3.596 -7.027 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -9.553 -4.363 -5.973 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -8.845 -3.516 -4.611 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -10.803 -2.370 -4.464 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -10.288 -1.495 -5.893 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -12.165 -2.313 -6.889 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -11.304 -3.836 -6.999 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -13.446 -4.281 -5.943 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -12.207 -4.462 -4.717 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -13.281 -2.956 -3.529 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -12.924 -1.782 -4.702 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -14.378 -2.655 -4.789 1.00 0.00 H new ATOM 211 N ASP A 17 -8.057 -0.871 -8.023 1.00 0.00 N ATOM 212 CA ASP A 17 -8.497 0.047 -9.060 1.00 0.00 C ATOM 213 C ASP A 17 -7.459 0.076 -10.184 1.00 0.00 C ATOM 214 O ASP A 17 -6.311 0.460 -9.964 1.00 0.00 O ATOM 215 CB ASP A 17 -8.640 1.469 -8.513 1.00 0.00 C ATOM 216 CG ASP A 17 -9.926 2.192 -8.919 1.00 0.00 C ATOM 217 OD1 ASP A 17 -10.998 1.564 -8.780 1.00 0.00 O ATOM 218 OD2 ASP A 17 -9.808 3.355 -9.360 1.00 0.00 O ATOM 0 H ASP A 17 -7.133 -0.671 -7.640 1.00 0.00 H new ATOM 0 HA ASP A 17 -9.464 -0.298 -9.427 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -8.591 1.430 -7.425 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -7.788 2.059 -8.850 1.00 0.00 H new ATOM 223 N PRO A 18 -7.912 -0.346 -11.395 1.00 0.00 N ATOM 224 CA PRO A 18 -7.035 -0.373 -12.554 1.00 0.00 C ATOM 225 C PRO A 18 -6.799 1.039 -13.095 1.00 0.00 C ATOM 226 O PRO A 18 -6.103 1.216 -14.094 1.00 0.00 O ATOM 227 CB PRO A 18 -7.731 -1.283 -13.552 1.00 0.00 C ATOM 228 CG PRO A 18 -9.182 -1.360 -13.106 1.00 0.00 C ATOM 229 CD PRO A 18 -9.265 -0.808 -11.692 1.00 0.00 C ATOM 0 HA PRO A 18 -6.039 -0.749 -12.320 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -7.654 -0.884 -14.564 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -7.273 -2.272 -13.564 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -9.819 -0.785 -13.778 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -9.536 -2.390 -13.135 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -9.985 0.008 -11.627 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -9.586 -1.574 -10.986 1.00 0.00 H new ATOM 237 N GLU A 19 -7.393 2.007 -12.412 1.00 0.00 N ATOM 238 CA GLU A 19 -7.256 3.397 -12.812 1.00 0.00 C ATOM 239 C GLU A 19 -6.409 4.162 -11.792 1.00 0.00 C ATOM 240 O GLU A 19 -5.410 4.783 -12.151 1.00 0.00 O ATOM 241 CB GLU A 19 -8.626 4.054 -12.989 1.00 0.00 C ATOM 242 CG GLU A 19 -9.177 3.804 -14.394 1.00 0.00 C ATOM 243 CD GLU A 19 -10.166 4.898 -14.799 1.00 0.00 C ATOM 244 OE1 GLU A 19 -10.020 6.020 -14.267 1.00 0.00 O ATOM 245 OE2 GLU A 19 -11.047 4.589 -15.630 1.00 0.00 O ATOM 0 H GLU A 19 -7.970 1.856 -11.585 1.00 0.00 H new ATOM 0 HA GLU A 19 -6.747 3.429 -13.775 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -9.321 3.660 -12.247 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -8.544 5.126 -12.812 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -8.355 3.769 -15.109 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -9.670 2.833 -14.427 1.00 0.00 H new ATOM 252 N LYS A 20 -6.839 4.091 -10.541 1.00 0.00 N ATOM 253 CA LYS A 20 -6.133 4.769 -9.468 1.00 0.00 C ATOM 254 C LYS A 20 -5.579 3.729 -8.491 1.00 0.00 C ATOM 255 O LYS A 20 -5.495 3.982 -7.291 1.00 0.00 O ATOM 256 CB LYS A 20 -7.036 5.813 -8.807 1.00 0.00 C ATOM 257 CG LYS A 20 -7.161 7.061 -9.682 1.00 0.00 C ATOM 258 CD LYS A 20 -5.895 7.916 -9.603 1.00 0.00 C ATOM 259 CE LYS A 20 -5.589 8.569 -10.953 1.00 0.00 C ATOM 260 NZ LYS A 20 -4.503 9.566 -10.812 1.00 0.00 N ATOM 0 H LYS A 20 -7.668 3.574 -10.247 1.00 0.00 H new ATOM 0 HA LYS A 20 -5.281 5.322 -9.863 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -8.024 5.386 -8.632 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -6.630 6.086 -7.833 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -7.342 6.768 -10.716 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -8.021 7.649 -9.362 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -6.019 8.687 -8.842 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -5.052 7.297 -9.295 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -5.299 7.806 -11.675 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -6.486 9.052 -11.342 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -4.308 10.000 -11.737 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -4.794 10.303 -10.138 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -3.644 9.096 -10.462 1.00 0.00 H new ATOM 274 N GLY A 21 -5.215 2.581 -9.043 1.00 0.00 N ATOM 275 CA GLY A 21 -4.672 1.502 -8.236 1.00 0.00 C ATOM 276 C GLY A 21 -3.526 0.795 -8.964 1.00 0.00 C ATOM 277 O GLY A 21 -2.983 1.323 -9.934 1.00 0.00 O ATOM 0 H GLY A 21 -5.286 2.375 -10.039 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -4.314 1.898 -7.286 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -5.459 0.784 -8.006 1.00 0.00 H new ATOM 281 N ILE A 22 -3.193 -0.387 -8.469 1.00 0.00 N ATOM 282 CA ILE A 22 -2.122 -1.171 -9.061 1.00 0.00 C ATOM 283 C ILE A 22 -2.474 -1.492 -10.515 1.00 0.00 C ATOM 284 O ILE A 22 -3.627 -1.358 -10.922 1.00 0.00 O ATOM 285 CB ILE A 22 -1.832 -2.410 -8.211 1.00 0.00 C ATOM 286 CG1 ILE A 22 -0.475 -2.292 -7.515 1.00 0.00 C ATOM 287 CG2 ILE A 22 -1.938 -3.687 -9.048 1.00 0.00 C ATOM 288 CD1 ILE A 22 -0.336 -3.334 -6.403 1.00 0.00 C ATOM 0 H ILE A 22 -3.645 -0.821 -7.665 1.00 0.00 H new ATOM 0 HA ILE A 22 -1.195 -0.598 -9.076 1.00 0.00 H new ATOM 0 HB ILE A 22 -2.590 -2.473 -7.430 1.00 0.00 H new ATOM 0 HG12 ILE A 22 0.324 -2.424 -8.244 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -0.363 -1.292 -7.097 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -1.727 -4.552 -8.420 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -2.945 -3.772 -9.456 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -1.217 -3.648 -9.865 1.00 0.00 H new ATOM 0 HD11 ILE A 22 0.638 -3.228 -5.925 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -1.122 -3.184 -5.663 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -0.424 -4.334 -6.828 1.00 0.00 H new ATOM 300 N LYS A 23 -1.459 -1.910 -11.258 1.00 0.00 N ATOM 301 CA LYS A 23 -1.647 -2.250 -12.658 1.00 0.00 C ATOM 302 C LYS A 23 -1.791 -3.768 -12.794 1.00 0.00 C ATOM 303 O LYS A 23 -1.193 -4.523 -12.029 1.00 0.00 O ATOM 304 CB LYS A 23 -0.520 -1.661 -13.508 1.00 0.00 C ATOM 305 CG LYS A 23 -0.922 -0.302 -14.086 1.00 0.00 C ATOM 306 CD LYS A 23 -1.152 -0.395 -15.596 1.00 0.00 C ATOM 307 CE LYS A 23 0.087 0.061 -16.368 1.00 0.00 C ATOM 308 NZ LYS A 23 1.193 -0.907 -16.191 1.00 0.00 N ATOM 0 H LYS A 23 -0.504 -2.021 -10.917 1.00 0.00 H new ATOM 0 HA LYS A 23 -2.567 -1.806 -13.038 1.00 0.00 H new ATOM 0 HB2 LYS A 23 0.379 -1.551 -12.901 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -0.275 -2.347 -14.319 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -1.830 0.051 -13.597 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -0.142 0.431 -13.878 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -1.397 -1.422 -15.868 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -2.007 0.221 -15.876 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -0.153 0.159 -17.427 1.00 0.00 H new ATOM 0 HE3 LYS A 23 0.398 1.046 -16.019 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 2.010 -0.609 -16.762 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 1.466 -0.942 -15.188 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 0.881 -1.850 -16.498 1.00 0.00 H new ATOM 322 N GLU A 24 -2.588 -4.169 -13.773 1.00 0.00 N ATOM 323 CA GLU A 24 -2.818 -5.582 -14.019 1.00 0.00 C ATOM 324 C GLU A 24 -2.118 -6.017 -15.308 1.00 0.00 C ATOM 325 O GLU A 24 -2.334 -5.427 -16.366 1.00 0.00 O ATOM 326 CB GLU A 24 -4.315 -5.892 -14.077 1.00 0.00 C ATOM 327 CG GLU A 24 -5.045 -5.297 -12.871 1.00 0.00 C ATOM 328 CD GLU A 24 -6.550 -5.201 -13.133 1.00 0.00 C ATOM 329 OE1 GLU A 24 -6.922 -4.392 -14.011 1.00 0.00 O ATOM 330 OE2 GLU A 24 -7.293 -5.938 -12.451 1.00 0.00 O ATOM 0 H GLU A 24 -3.083 -3.540 -14.405 1.00 0.00 H new ATOM 0 HA GLU A 24 -2.395 -6.149 -13.190 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -4.738 -5.490 -14.998 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -4.466 -6.971 -14.102 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -4.864 -5.914 -11.991 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -4.646 -4.306 -12.653 1.00 0.00 H new ATOM 337 N LEU A 25 -1.294 -7.046 -15.178 1.00 0.00 N ATOM 338 CA LEU A 25 -0.561 -7.567 -16.319 1.00 0.00 C ATOM 339 C LEU A 25 -0.575 -9.096 -16.274 1.00 0.00 C ATOM 340 O LEU A 25 -0.716 -9.688 -15.205 1.00 0.00 O ATOM 341 CB LEU A 25 0.846 -6.967 -16.372 1.00 0.00 C ATOM 342 CG LEU A 25 0.926 -5.440 -16.311 1.00 0.00 C ATOM 343 CD1 LEU A 25 2.062 -4.987 -15.392 1.00 0.00 C ATOM 344 CD2 LEU A 25 1.050 -4.841 -17.713 1.00 0.00 C ATOM 0 H LEU A 25 -1.118 -7.533 -14.299 1.00 0.00 H new ATOM 0 HA LEU A 25 -1.045 -7.270 -17.250 1.00 0.00 H new ATOM 0 HB2 LEU A 25 1.425 -7.375 -15.543 1.00 0.00 H new ATOM 0 HB3 LEU A 25 1.327 -7.300 -17.292 1.00 0.00 H new ATOM 0 HG LEU A 25 -0.004 -5.066 -15.882 1.00 0.00 H new ATOM 0 HD11 LEU A 25 2.097 -3.898 -15.366 1.00 0.00 H new ATOM 0 HD12 LEU A 25 1.890 -5.368 -14.385 1.00 0.00 H new ATOM 0 HD13 LEU A 25 3.010 -5.372 -15.768 1.00 0.00 H new ATOM 0 HD21 LEU A 25 1.105 -3.755 -17.641 1.00 0.00 H new ATOM 0 HD22 LEU A 25 1.953 -5.219 -18.192 1.00 0.00 H new ATOM 0 HD23 LEU A 25 0.180 -5.122 -18.307 1.00 0.00 H new ATOM 356 N ASN A 26 -0.428 -9.693 -17.448 1.00 0.00 N ATOM 357 CA ASN A 26 -0.422 -11.142 -17.556 1.00 0.00 C ATOM 358 C ASN A 26 0.980 -11.667 -17.240 1.00 0.00 C ATOM 359 O ASN A 26 1.975 -11.104 -17.695 1.00 0.00 O ATOM 360 CB ASN A 26 -0.787 -11.590 -18.973 1.00 0.00 C ATOM 361 CG ASN A 26 0.113 -10.915 -20.010 1.00 0.00 C ATOM 362 OD1 ASN A 26 0.701 -9.872 -19.775 1.00 0.00 O ATOM 363 ND2 ASN A 26 0.188 -11.567 -21.167 1.00 0.00 N ATOM 0 H ASN A 26 -0.312 -9.199 -18.333 1.00 0.00 H new ATOM 0 HA ASN A 26 -1.156 -11.536 -16.853 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -0.690 -12.673 -19.052 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -1.830 -11.347 -19.178 1.00 0.00 H new ATOM 0 HD21 ASN A 26 0.764 -11.198 -21.924 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -0.330 -12.436 -21.297 1.00 0.00 H new ATOM 370 N LEU A 27 1.014 -12.740 -16.463 1.00 0.00 N ATOM 371 CA LEU A 27 2.277 -13.347 -16.081 1.00 0.00 C ATOM 372 C LEU A 27 2.206 -14.857 -16.321 1.00 0.00 C ATOM 373 O LEU A 27 1.579 -15.582 -15.550 1.00 0.00 O ATOM 374 CB LEU A 27 2.641 -12.969 -14.644 1.00 0.00 C ATOM 375 CG LEU A 27 2.910 -11.485 -14.389 1.00 0.00 C ATOM 376 CD1 LEU A 27 2.833 -11.162 -12.895 1.00 0.00 C ATOM 377 CD2 LEU A 27 4.247 -11.057 -14.999 1.00 0.00 C ATOM 0 H LEU A 27 0.187 -13.204 -16.088 1.00 0.00 H new ATOM 0 HA LEU A 27 3.087 -12.963 -16.701 1.00 0.00 H new ATOM 0 HB2 LEU A 27 1.831 -13.289 -13.989 1.00 0.00 H new ATOM 0 HB3 LEU A 27 3.527 -13.534 -14.354 1.00 0.00 H new ATOM 0 HG LEU A 27 2.130 -10.907 -14.884 1.00 0.00 H new ATOM 0 HD11 LEU A 27 3.028 -10.101 -12.742 1.00 0.00 H new ATOM 0 HD12 LEU A 27 1.839 -11.406 -12.521 1.00 0.00 H new ATOM 0 HD13 LEU A 27 3.577 -11.749 -12.357 1.00 0.00 H new ATOM 0 HD21 LEU A 27 4.414 -9.998 -14.803 1.00 0.00 H new ATOM 0 HD22 LEU A 27 5.053 -11.640 -14.553 1.00 0.00 H new ATOM 0 HD23 LEU A 27 4.227 -11.228 -16.075 1.00 0.00 H new ATOM 482 N VAL A 33 -0.741 -18.943 -17.432 1.00 0.00 N ATOM 483 CA VAL A 33 -0.769 -17.504 -17.625 1.00 0.00 C ATOM 484 C VAL A 33 -1.820 -16.890 -16.698 1.00 0.00 C ATOM 485 O VAL A 33 -3.013 -16.922 -16.997 1.00 0.00 O ATOM 486 CB VAL A 33 -1.011 -17.178 -19.100 1.00 0.00 C ATOM 487 CG1 VAL A 33 -2.151 -18.025 -19.669 1.00 0.00 C ATOM 488 CG2 VAL A 33 -1.286 -15.686 -19.295 1.00 0.00 C ATOM 0 HA VAL A 33 0.194 -17.065 -17.362 1.00 0.00 H new ATOM 0 HB VAL A 33 -0.103 -17.425 -19.650 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -2.302 -17.773 -20.719 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -1.898 -19.082 -19.582 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -3.066 -17.824 -19.112 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -1.454 -15.482 -20.352 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -2.171 -15.402 -18.725 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -0.429 -15.109 -18.946 1.00 0.00 H new ATOM 498 N PHE A 34 -1.339 -16.344 -15.590 1.00 0.00 N ATOM 499 CA PHE A 34 -2.222 -15.723 -14.617 1.00 0.00 C ATOM 500 C PHE A 34 -2.672 -14.339 -15.089 1.00 0.00 C ATOM 501 O PHE A 34 -1.923 -13.369 -14.982 1.00 0.00 O ATOM 502 CB PHE A 34 -1.424 -15.573 -13.321 1.00 0.00 C ATOM 503 CG PHE A 34 -0.804 -16.877 -12.817 1.00 0.00 C ATOM 504 CD1 PHE A 34 -1.582 -17.809 -12.204 1.00 0.00 C ATOM 505 CD2 PHE A 34 0.527 -17.105 -12.982 1.00 0.00 C ATOM 506 CE1 PHE A 34 -1.006 -19.020 -11.737 1.00 0.00 C ATOM 507 CE2 PHE A 34 1.103 -18.316 -12.515 1.00 0.00 C ATOM 508 CZ PHE A 34 0.324 -19.248 -11.902 1.00 0.00 C ATOM 0 H PHE A 34 -0.349 -16.319 -15.345 1.00 0.00 H new ATOM 0 HA PHE A 34 -3.112 -16.336 -14.478 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -0.630 -14.842 -13.478 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -2.079 -15.172 -12.548 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -2.639 -17.628 -12.072 1.00 0.00 H new ATOM 0 HD2 PHE A 34 1.145 -16.365 -13.468 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -1.624 -19.760 -11.251 1.00 0.00 H new ATOM 0 HE2 PHE A 34 2.160 -18.497 -12.646 1.00 0.00 H new ATOM 0 HZ PHE A 34 0.762 -20.169 -11.547 1.00 0.00 H new ATOM 518 N ASN A 35 -3.893 -14.291 -15.601 1.00 0.00 N ATOM 519 CA ASN A 35 -4.451 -13.042 -16.090 1.00 0.00 C ATOM 520 C ASN A 35 -4.696 -12.101 -14.909 1.00 0.00 C ATOM 521 O ASN A 35 -5.114 -12.539 -13.838 1.00 0.00 O ATOM 522 CB ASN A 35 -5.789 -13.275 -16.794 1.00 0.00 C ATOM 523 CG ASN A 35 -5.587 -13.511 -18.292 1.00 0.00 C ATOM 524 OD1 ASN A 35 -5.826 -14.587 -18.815 1.00 0.00 O ATOM 525 ND2 ASN A 35 -5.135 -12.448 -18.951 1.00 0.00 N ATOM 0 H ASN A 35 -4.512 -15.097 -15.688 1.00 0.00 H new ATOM 0 HA ASN A 35 -3.742 -12.610 -16.796 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -6.292 -14.135 -16.351 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -6.439 -12.413 -16.642 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -4.968 -12.504 -19.956 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -4.955 -11.577 -18.452 1.00 0.00 H new ATOM 532 N HIS A 36 -4.425 -10.825 -15.143 1.00 0.00 N ATOM 533 CA HIS A 36 -4.610 -9.819 -14.112 1.00 0.00 C ATOM 534 C HIS A 36 -3.902 -10.261 -12.830 1.00 0.00 C ATOM 535 O HIS A 36 -4.546 -10.716 -11.885 1.00 0.00 O ATOM 536 CB HIS A 36 -6.097 -9.528 -13.897 1.00 0.00 C ATOM 537 CG HIS A 36 -6.918 -9.565 -15.164 1.00 0.00 C ATOM 538 ND1 HIS A 36 -6.564 -8.871 -16.308 1.00 0.00 N ATOM 539 CD2 HIS A 36 -8.079 -10.220 -15.454 1.00 0.00 C ATOM 540 CE1 HIS A 36 -7.479 -9.104 -17.238 1.00 0.00 C ATOM 541 NE2 HIS A 36 -8.417 -9.940 -16.707 1.00 0.00 N ATOM 0 H HIS A 36 -4.079 -10.465 -16.032 1.00 0.00 H new ATOM 0 HA HIS A 36 -4.157 -8.880 -14.431 1.00 0.00 H new ATOM 0 HB2 HIS A 36 -6.501 -10.255 -13.193 1.00 0.00 H new ATOM 0 HB3 HIS A 36 -6.202 -8.546 -13.436 1.00 0.00 H new ATOM 0 HD2 HIS A 36 -8.630 -10.858 -14.779 1.00 0.00 H new ATOM 0 HE1 HIS A 36 -7.482 -8.702 -18.241 1.00 0.00 H new ATOM 0 HE2 HIS A 36 -9.242 -10.292 -17.193 1.00 0.00 H new ATOM 549 N CYS A 37 -2.585 -10.113 -12.837 1.00 0.00 N ATOM 550 CA CYS A 37 -1.782 -10.491 -11.687 1.00 0.00 C ATOM 551 C CYS A 37 -0.847 -9.328 -11.350 1.00 0.00 C ATOM 552 O CYS A 37 -0.746 -8.367 -12.112 1.00 0.00 O ATOM 553 CB CYS A 37 -1.012 -11.789 -11.937 1.00 0.00 C ATOM 554 SG CYS A 37 -1.035 -12.831 -10.432 1.00 0.00 S ATOM 0 H CYS A 37 -2.054 -9.736 -13.622 1.00 0.00 H new ATOM 0 HA CYS A 37 -2.433 -10.690 -10.836 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -1.458 -12.331 -12.771 1.00 0.00 H new ATOM 0 HB3 CYS A 37 0.017 -11.563 -12.217 1.00 0.00 H new ATOM 0 HG CYS A 37 -0.380 -13.931 -10.656 1.00 0.00 H new ATOM 560 N LEU A 38 -0.186 -9.454 -10.209 1.00 0.00 N ATOM 561 CA LEU A 38 0.738 -8.425 -9.762 1.00 0.00 C ATOM 562 C LEU A 38 2.052 -9.079 -9.328 1.00 0.00 C ATOM 563 O LEU A 38 2.411 -10.147 -9.822 1.00 0.00 O ATOM 564 CB LEU A 38 0.094 -7.561 -8.677 1.00 0.00 C ATOM 565 CG LEU A 38 -1.427 -7.409 -8.756 1.00 0.00 C ATOM 566 CD1 LEU A 38 -2.006 -6.987 -7.404 1.00 0.00 C ATOM 567 CD2 LEU A 38 -1.825 -6.446 -9.876 1.00 0.00 C ATOM 0 H LEU A 38 -0.272 -10.253 -9.580 1.00 0.00 H new ATOM 0 HA LEU A 38 0.975 -7.745 -10.580 1.00 0.00 H new ATOM 0 HB2 LEU A 38 0.347 -7.985 -7.705 1.00 0.00 H new ATOM 0 HB3 LEU A 38 0.541 -6.568 -8.718 1.00 0.00 H new ATOM 0 HG LEU A 38 -1.855 -8.381 -9.001 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -3.088 -6.886 -7.487 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -1.769 -7.742 -6.655 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -1.574 -6.032 -7.106 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -2.911 -6.356 -9.910 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -1.386 -5.467 -9.687 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -1.462 -6.828 -10.830 1.00 0.00 H new ATOM 579 N THR A 39 2.732 -8.411 -8.409 1.00 0.00 N ATOM 580 CA THR A 39 3.998 -8.914 -7.902 1.00 0.00 C ATOM 581 C THR A 39 4.338 -8.254 -6.565 1.00 0.00 C ATOM 582 O THR A 39 4.160 -7.047 -6.401 1.00 0.00 O ATOM 583 CB THR A 39 5.062 -8.688 -8.979 1.00 0.00 C ATOM 584 OG1 THR A 39 4.720 -7.425 -9.544 1.00 0.00 O ATOM 585 CG2 THR A 39 4.929 -9.667 -10.147 1.00 0.00 C ATOM 0 H THR A 39 2.431 -7.526 -8.002 1.00 0.00 H new ATOM 0 HA THR A 39 3.944 -9.983 -7.696 1.00 0.00 H new ATOM 0 HB THR A 39 6.053 -8.784 -8.536 1.00 0.00 H new ATOM 0 HG1 THR A 39 5.360 -7.199 -10.251 1.00 0.00 H new ATOM 0 HG21 THR A 39 5.707 -9.464 -10.883 1.00 0.00 H new ATOM 0 HG22 THR A 39 5.035 -10.688 -9.780 1.00 0.00 H new ATOM 0 HG23 THR A 39 3.950 -9.548 -10.612 1.00 0.00 H new ATOM 593 N GLY A 40 4.820 -9.073 -5.642 1.00 0.00 N ATOM 594 CA GLY A 40 5.186 -8.584 -4.324 1.00 0.00 C ATOM 595 C GLY A 40 6.217 -7.458 -4.424 1.00 0.00 C ATOM 596 O GLY A 40 6.287 -6.595 -3.550 1.00 0.00 O ATOM 0 H GLY A 40 4.966 -10.073 -5.781 1.00 0.00 H new ATOM 0 HA2 GLY A 40 4.297 -8.223 -3.806 1.00 0.00 H new ATOM 0 HA3 GLY A 40 5.592 -9.402 -3.729 1.00 0.00 H new ATOM 600 N SER A 41 6.994 -7.504 -5.497 1.00 0.00 N ATOM 601 CA SER A 41 8.018 -6.498 -5.722 1.00 0.00 C ATOM 602 C SER A 41 7.395 -5.246 -6.343 1.00 0.00 C ATOM 603 O SER A 41 7.769 -4.126 -5.997 1.00 0.00 O ATOM 604 CB SER A 41 9.131 -7.039 -6.622 1.00 0.00 C ATOM 605 OG SER A 41 10.005 -6.006 -7.070 1.00 0.00 O ATOM 0 H SER A 41 6.935 -8.222 -6.219 1.00 0.00 H new ATOM 0 HA SER A 41 8.459 -6.237 -4.760 1.00 0.00 H new ATOM 0 HB2 SER A 41 9.705 -7.789 -6.078 1.00 0.00 H new ATOM 0 HB3 SER A 41 8.689 -7.539 -7.484 1.00 0.00 H new ATOM 0 HG SER A 41 10.702 -6.392 -7.640 1.00 0.00 H new ATOM 611 N GLY A 42 6.456 -5.478 -7.248 1.00 0.00 N ATOM 612 CA GLY A 42 5.778 -4.382 -7.920 1.00 0.00 C ATOM 613 C GLY A 42 4.752 -3.723 -6.995 1.00 0.00 C ATOM 614 O GLY A 42 4.706 -2.499 -6.886 1.00 0.00 O ATOM 0 H GLY A 42 6.149 -6.408 -7.532 1.00 0.00 H new ATOM 0 HA2 GLY A 42 6.509 -3.642 -8.244 1.00 0.00 H new ATOM 0 HA3 GLY A 42 5.280 -4.752 -8.816 1.00 0.00 H new ATOM 618 N VAL A 43 3.955 -4.565 -6.354 1.00 0.00 N ATOM 619 CA VAL A 43 2.932 -4.080 -5.443 1.00 0.00 C ATOM 620 C VAL A 43 3.548 -3.047 -4.496 1.00 0.00 C ATOM 621 O VAL A 43 3.064 -1.920 -4.401 1.00 0.00 O ATOM 622 CB VAL A 43 2.286 -5.255 -4.707 1.00 0.00 C ATOM 623 CG1 VAL A 43 1.774 -6.305 -5.695 1.00 0.00 C ATOM 624 CG2 VAL A 43 3.260 -5.876 -3.703 1.00 0.00 C ATOM 0 H VAL A 43 3.997 -5.580 -6.447 1.00 0.00 H new ATOM 0 HA VAL A 43 2.134 -3.582 -5.994 1.00 0.00 H new ATOM 0 HB VAL A 43 1.430 -4.872 -4.151 1.00 0.00 H new ATOM 0 HG11 VAL A 43 1.319 -7.130 -5.146 1.00 0.00 H new ATOM 0 HG12 VAL A 43 1.031 -5.854 -6.353 1.00 0.00 H new ATOM 0 HG13 VAL A 43 2.606 -6.681 -6.291 1.00 0.00 H new ATOM 0 HG21 VAL A 43 2.776 -6.709 -3.194 1.00 0.00 H new ATOM 0 HG22 VAL A 43 4.144 -6.237 -4.229 1.00 0.00 H new ATOM 0 HG23 VAL A 43 3.555 -5.125 -2.970 1.00 0.00 H new ATOM 634 N ILE A 44 4.605 -3.469 -3.818 1.00 0.00 N ATOM 635 CA ILE A 44 5.292 -2.595 -2.882 1.00 0.00 C ATOM 636 C ILE A 44 5.676 -1.295 -3.592 1.00 0.00 C ATOM 637 O ILE A 44 5.719 -0.234 -2.971 1.00 0.00 O ATOM 638 CB ILE A 44 6.478 -3.320 -2.244 1.00 0.00 C ATOM 639 CG1 ILE A 44 6.020 -4.586 -1.516 1.00 0.00 C ATOM 640 CG2 ILE A 44 7.263 -2.383 -1.324 1.00 0.00 C ATOM 641 CD1 ILE A 44 7.217 -5.446 -1.105 1.00 0.00 C ATOM 0 H ILE A 44 5.003 -4.405 -3.898 1.00 0.00 H new ATOM 0 HA ILE A 44 4.632 -2.326 -2.058 1.00 0.00 H new ATOM 0 HB ILE A 44 7.155 -3.633 -3.039 1.00 0.00 H new ATOM 0 HG12 ILE A 44 5.443 -4.313 -0.632 1.00 0.00 H new ATOM 0 HG13 ILE A 44 5.359 -5.162 -2.163 1.00 0.00 H new ATOM 0 HG21 ILE A 44 8.101 -2.923 -0.883 1.00 0.00 H new ATOM 0 HG22 ILE A 44 7.639 -1.538 -1.901 1.00 0.00 H new ATOM 0 HG23 ILE A 44 6.609 -2.019 -0.532 1.00 0.00 H new ATOM 0 HD11 ILE A 44 6.864 -6.339 -0.590 1.00 0.00 H new ATOM 0 HD12 ILE A 44 7.778 -5.737 -1.993 1.00 0.00 H new ATOM 0 HD13 ILE A 44 7.864 -4.875 -0.439 1.00 0.00 H new ATOM 653 N ASP A 45 5.944 -1.421 -4.883 1.00 0.00 N ATOM 654 CA ASP A 45 6.322 -0.269 -5.684 1.00 0.00 C ATOM 655 C ASP A 45 5.156 0.721 -5.730 1.00 0.00 C ATOM 656 O ASP A 45 5.352 1.924 -5.565 1.00 0.00 O ATOM 657 CB ASP A 45 6.649 -0.680 -7.121 1.00 0.00 C ATOM 658 CG ASP A 45 7.839 0.049 -7.748 1.00 0.00 C ATOM 659 OD1 ASP A 45 8.073 1.208 -7.341 1.00 0.00 O ATOM 660 OD2 ASP A 45 8.488 -0.569 -8.619 1.00 0.00 O ATOM 0 H ASP A 45 5.907 -2.303 -5.394 1.00 0.00 H new ATOM 0 HA ASP A 45 7.203 0.183 -5.228 1.00 0.00 H new ATOM 0 HB2 ASP A 45 6.848 -1.752 -7.140 1.00 0.00 H new ATOM 0 HB3 ASP A 45 5.769 -0.508 -7.741 1.00 0.00 H new ATOM 665 N TRP A 46 3.969 0.177 -5.954 1.00 0.00 N ATOM 666 CA TRP A 46 2.772 0.997 -6.023 1.00 0.00 C ATOM 667 C TRP A 46 2.541 1.614 -4.643 1.00 0.00 C ATOM 668 O TRP A 46 1.981 2.704 -4.532 1.00 0.00 O ATOM 669 CB TRP A 46 1.577 0.182 -6.521 1.00 0.00 C ATOM 670 CG TRP A 46 0.244 0.931 -6.461 1.00 0.00 C ATOM 671 CD1 TRP A 46 -0.379 1.585 -7.451 1.00 0.00 C ATOM 672 CD2 TRP A 46 -0.610 1.076 -5.307 1.00 0.00 C ATOM 673 NE1 TRP A 46 -1.567 2.140 -7.020 1.00 0.00 N ATOM 674 CE2 TRP A 46 -1.712 1.820 -5.675 1.00 0.00 C ATOM 675 CE3 TRP A 46 -0.456 0.594 -3.995 1.00 0.00 C ATOM 676 CZ2 TRP A 46 -2.745 2.150 -4.790 1.00 0.00 C ATOM 677 CZ3 TRP A 46 -1.497 0.932 -3.122 1.00 0.00 C ATOM 678 CH2 TRP A 46 -2.614 1.681 -3.477 1.00 0.00 C ATOM 0 H TRP A 46 3.811 -0.821 -6.090 1.00 0.00 H new ATOM 0 HA TRP A 46 2.897 1.802 -6.747 1.00 0.00 H new ATOM 0 HB2 TRP A 46 1.763 -0.125 -7.550 1.00 0.00 H new ATOM 0 HB3 TRP A 46 1.498 -0.728 -5.926 1.00 0.00 H new ATOM 0 HD1 TRP A 46 0.001 1.667 -8.459 1.00 0.00 H new ATOM 0 HE1 TRP A 46 -2.219 2.685 -7.585 1.00 0.00 H new ATOM 0 HE3 TRP A 46 0.398 0.009 -3.685 1.00 0.00 H new ATOM 0 HZ2 TRP A 46 -3.597 2.735 -5.103 1.00 0.00 H new ATOM 0 HZ3 TRP A 46 -1.428 0.587 -2.101 1.00 0.00 H new ATOM 0 HH2 TRP A 46 -3.376 1.900 -2.744 1.00 0.00 H new ATOM 689 N LEU A 47 2.983 0.891 -3.625 1.00 0.00 N ATOM 690 CA LEU A 47 2.832 1.354 -2.256 1.00 0.00 C ATOM 691 C LEU A 47 3.708 2.590 -2.040 1.00 0.00 C ATOM 692 O LEU A 47 3.239 3.606 -1.531 1.00 0.00 O ATOM 693 CB LEU A 47 3.118 0.218 -1.271 1.00 0.00 C ATOM 694 CG LEU A 47 2.139 -0.958 -1.302 1.00 0.00 C ATOM 695 CD1 LEU A 47 2.635 -2.107 -0.421 1.00 0.00 C ATOM 696 CD2 LEU A 47 0.729 -0.508 -0.916 1.00 0.00 C ATOM 0 H LEU A 47 3.446 -0.013 -3.721 1.00 0.00 H new ATOM 0 HA LEU A 47 1.802 1.656 -2.068 1.00 0.00 H new ATOM 0 HB2 LEU A 47 4.120 -0.164 -1.468 1.00 0.00 H new ATOM 0 HB3 LEU A 47 3.127 0.631 -0.263 1.00 0.00 H new ATOM 0 HG LEU A 47 2.088 -1.334 -2.324 1.00 0.00 H new ATOM 0 HD11 LEU A 47 1.921 -2.930 -0.461 1.00 0.00 H new ATOM 0 HD12 LEU A 47 3.605 -2.450 -0.782 1.00 0.00 H new ATOM 0 HD13 LEU A 47 2.733 -1.761 0.608 1.00 0.00 H new ATOM 0 HD21 LEU A 47 0.053 -1.363 -0.946 1.00 0.00 H new ATOM 0 HD22 LEU A 47 0.743 -0.092 0.091 1.00 0.00 H new ATOM 0 HD23 LEU A 47 0.385 0.252 -1.618 1.00 0.00 H new ATOM 708 N VAL A 48 4.965 2.461 -2.438 1.00 0.00 N ATOM 709 CA VAL A 48 5.911 3.554 -2.295 1.00 0.00 C ATOM 710 C VAL A 48 5.583 4.644 -3.317 1.00 0.00 C ATOM 711 O VAL A 48 5.601 5.831 -2.993 1.00 0.00 O ATOM 712 CB VAL A 48 7.342 3.028 -2.420 1.00 0.00 C ATOM 713 CG1 VAL A 48 8.342 4.181 -2.535 1.00 0.00 C ATOM 714 CG2 VAL A 48 7.695 2.112 -1.247 1.00 0.00 C ATOM 0 H VAL A 48 5.350 1.616 -2.860 1.00 0.00 H new ATOM 0 HA VAL A 48 5.830 4.002 -1.305 1.00 0.00 H new ATOM 0 HB VAL A 48 7.403 2.439 -3.335 1.00 0.00 H new ATOM 0 HG11 VAL A 48 9.352 3.780 -2.623 1.00 0.00 H new ATOM 0 HG12 VAL A 48 8.110 4.777 -3.418 1.00 0.00 H new ATOM 0 HG13 VAL A 48 8.277 4.809 -1.646 1.00 0.00 H new ATOM 0 HG21 VAL A 48 8.718 1.752 -1.361 1.00 0.00 H new ATOM 0 HG22 VAL A 48 7.608 2.667 -0.313 1.00 0.00 H new ATOM 0 HG23 VAL A 48 7.012 1.263 -1.230 1.00 0.00 H new ATOM 724 N SER A 49 5.291 4.203 -4.532 1.00 0.00 N ATOM 725 CA SER A 49 4.959 5.126 -5.604 1.00 0.00 C ATOM 726 C SER A 49 3.959 6.170 -5.104 1.00 0.00 C ATOM 727 O SER A 49 4.161 7.369 -5.293 1.00 0.00 O ATOM 728 CB SER A 49 4.391 4.383 -6.814 1.00 0.00 C ATOM 729 OG SER A 49 5.354 4.242 -7.855 1.00 0.00 O ATOM 0 H SER A 49 5.277 3.218 -4.798 1.00 0.00 H new ATOM 0 HA SER A 49 5.873 5.629 -5.918 1.00 0.00 H new ATOM 0 HB2 SER A 49 4.045 3.397 -6.504 1.00 0.00 H new ATOM 0 HB3 SER A 49 3.522 4.920 -7.194 1.00 0.00 H new ATOM 0 HG SER A 49 4.953 3.761 -8.609 1.00 0.00 H new ATOM 735 N ASN A 50 2.901 5.677 -4.477 1.00 0.00 N ATOM 736 CA ASN A 50 1.869 6.553 -3.949 1.00 0.00 C ATOM 737 C ASN A 50 2.350 7.166 -2.632 1.00 0.00 C ATOM 738 O ASN A 50 1.856 8.211 -2.213 1.00 0.00 O ATOM 739 CB ASN A 50 0.580 5.778 -3.666 1.00 0.00 C ATOM 740 CG ASN A 50 -0.338 5.775 -4.890 1.00 0.00 C ATOM 741 OD1 ASN A 50 -1.097 6.699 -5.131 1.00 0.00 O ATOM 742 ND2 ASN A 50 -0.226 4.688 -5.648 1.00 0.00 N ATOM 0 H ASN A 50 2.736 4.682 -4.323 1.00 0.00 H new ATOM 0 HA ASN A 50 1.670 7.325 -4.692 1.00 0.00 H new ATOM 0 HB2 ASN A 50 0.822 4.753 -3.386 1.00 0.00 H new ATOM 0 HB3 ASN A 50 0.061 6.226 -2.819 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -0.796 4.591 -6.489 1.00 0.00 H new ATOM 0 HD22 ASN A 50 0.430 3.951 -5.389 1.00 0.00 H new ATOM 749 N LYS A 51 3.308 6.488 -2.017 1.00 0.00 N ATOM 750 CA LYS A 51 3.862 6.953 -0.756 1.00 0.00 C ATOM 751 C LYS A 51 2.978 6.467 0.394 1.00 0.00 C ATOM 752 O LYS A 51 2.534 7.263 1.220 1.00 0.00 O ATOM 753 CB LYS A 51 4.056 8.470 -0.783 1.00 0.00 C ATOM 754 CG LYS A 51 4.706 8.917 -2.095 1.00 0.00 C ATOM 755 CD LYS A 51 6.219 9.074 -1.932 1.00 0.00 C ATOM 756 CE LYS A 51 6.949 8.730 -3.232 1.00 0.00 C ATOM 757 NZ LYS A 51 7.856 9.831 -3.624 1.00 0.00 N ATOM 0 H LYS A 51 3.715 5.621 -2.368 1.00 0.00 H new ATOM 0 HA LYS A 51 4.854 6.531 -0.597 1.00 0.00 H new ATOM 0 HB2 LYS A 51 3.093 8.966 -0.663 1.00 0.00 H new ATOM 0 HB3 LYS A 51 4.679 8.776 0.058 1.00 0.00 H new ATOM 0 HG2 LYS A 51 4.495 8.187 -2.877 1.00 0.00 H new ATOM 0 HG3 LYS A 51 4.271 9.863 -2.416 1.00 0.00 H new ATOM 0 HD2 LYS A 51 6.453 10.098 -1.639 1.00 0.00 H new ATOM 0 HD3 LYS A 51 6.571 8.425 -1.130 1.00 0.00 H new ATOM 0 HE2 LYS A 51 7.519 7.810 -3.103 1.00 0.00 H new ATOM 0 HE3 LYS A 51 6.224 8.548 -4.026 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 8.343 9.581 -4.508 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 7.304 10.701 -3.767 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 8.559 9.986 -2.873 1.00 0.00 H new ATOM 771 N LEU A 52 2.748 5.162 0.411 1.00 0.00 N ATOM 772 CA LEU A 52 1.925 4.561 1.446 1.00 0.00 C ATOM 773 C LEU A 52 2.792 4.258 2.670 1.00 0.00 C ATOM 774 O LEU A 52 2.305 4.274 3.799 1.00 0.00 O ATOM 775 CB LEU A 52 1.185 3.338 0.900 1.00 0.00 C ATOM 776 CG LEU A 52 -0.194 3.605 0.292 1.00 0.00 C ATOM 777 CD1 LEU A 52 -0.831 2.308 -0.211 1.00 0.00 C ATOM 778 CD2 LEU A 52 -1.097 4.341 1.283 1.00 0.00 C ATOM 0 H LEU A 52 3.117 4.504 -0.276 1.00 0.00 H new ATOM 0 HA LEU A 52 1.150 5.257 1.767 1.00 0.00 H new ATOM 0 HB2 LEU A 52 1.810 2.869 0.141 1.00 0.00 H new ATOM 0 HB3 LEU A 52 1.070 2.616 1.709 1.00 0.00 H new ATOM 0 HG LEU A 52 -0.066 4.257 -0.572 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -1.810 2.525 -0.638 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -0.193 1.861 -0.974 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -0.944 1.612 0.620 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -2.070 4.518 0.826 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -1.222 3.735 2.180 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -0.643 5.295 1.550 1.00 0.00 H new ATOM 790 N VAL A 53 4.062 3.990 2.404 1.00 0.00 N ATOM 791 CA VAL A 53 5.001 3.685 3.469 1.00 0.00 C ATOM 792 C VAL A 53 6.212 4.614 3.357 1.00 0.00 C ATOM 793 O VAL A 53 6.217 5.538 2.546 1.00 0.00 O ATOM 794 CB VAL A 53 5.379 2.203 3.424 1.00 0.00 C ATOM 795 CG1 VAL A 53 4.309 1.344 4.100 1.00 0.00 C ATOM 796 CG2 VAL A 53 5.624 1.742 1.986 1.00 0.00 C ATOM 0 H VAL A 53 4.462 3.978 1.466 1.00 0.00 H new ATOM 0 HA VAL A 53 4.545 3.862 4.443 1.00 0.00 H new ATOM 0 HB VAL A 53 6.309 2.078 3.978 1.00 0.00 H new ATOM 0 HG11 VAL A 53 4.602 0.295 4.054 1.00 0.00 H new ATOM 0 HG12 VAL A 53 4.204 1.646 5.142 1.00 0.00 H new ATOM 0 HG13 VAL A 53 3.357 1.478 3.586 1.00 0.00 H new ATOM 0 HG21 VAL A 53 5.891 0.685 1.983 1.00 0.00 H new ATOM 0 HG22 VAL A 53 4.718 1.889 1.397 1.00 0.00 H new ATOM 0 HG23 VAL A 53 6.437 2.323 1.551 1.00 0.00 H new ATOM 806 N ARG A 54 7.209 4.336 4.185 1.00 0.00 N ATOM 807 CA ARG A 54 8.422 5.136 4.189 1.00 0.00 C ATOM 808 C ARG A 54 9.503 4.465 3.338 1.00 0.00 C ATOM 809 O ARG A 54 10.384 5.138 2.805 1.00 0.00 O ATOM 810 CB ARG A 54 8.950 5.328 5.612 1.00 0.00 C ATOM 811 CG ARG A 54 8.139 6.389 6.359 1.00 0.00 C ATOM 812 CD ARG A 54 8.827 7.754 6.290 1.00 0.00 C ATOM 813 NE ARG A 54 7.874 8.821 6.670 1.00 0.00 N ATOM 814 CZ ARG A 54 8.073 10.125 6.433 1.00 0.00 C ATOM 815 NH1 ARG A 54 9.191 10.531 5.816 1.00 0.00 N ATOM 816 NH2 ARG A 54 7.153 11.023 6.813 1.00 0.00 N ATOM 0 H ARG A 54 7.201 3.569 4.857 1.00 0.00 H new ATOM 0 HA ARG A 54 8.177 6.112 3.769 1.00 0.00 H new ATOM 0 HB2 ARG A 54 8.903 4.382 6.152 1.00 0.00 H new ATOM 0 HB3 ARG A 54 9.999 5.624 5.578 1.00 0.00 H new ATOM 0 HG2 ARG A 54 7.140 6.459 5.928 1.00 0.00 H new ATOM 0 HG3 ARG A 54 8.016 6.092 7.400 1.00 0.00 H new ATOM 0 HD2 ARG A 54 9.689 7.770 6.957 1.00 0.00 H new ATOM 0 HD3 ARG A 54 9.201 7.931 5.282 1.00 0.00 H new ATOM 0 HE ARG A 54 7.012 8.547 7.142 1.00 0.00 H new ATOM 0 HH11 ARG A 54 9.891 9.848 5.527 1.00 0.00 H new ATOM 0 HH12 ARG A 54 9.342 11.523 5.636 1.00 0.00 H new ATOM 0 HH21 ARG A 54 6.302 10.714 7.282 1.00 0.00 H new ATOM 0 HH22 ARG A 54 7.304 12.016 6.633 1.00 0.00 H new ATOM 830 N ASN A 55 9.400 3.148 3.238 1.00 0.00 N ATOM 831 CA ASN A 55 10.357 2.380 2.461 1.00 0.00 C ATOM 832 C ASN A 55 9.700 1.081 1.991 1.00 0.00 C ATOM 833 O ASN A 55 8.757 0.597 2.614 1.00 0.00 O ATOM 834 CB ASN A 55 11.581 2.012 3.303 1.00 0.00 C ATOM 835 CG ASN A 55 11.841 3.065 4.382 1.00 0.00 C ATOM 836 OD1 ASN A 55 12.639 3.974 4.220 1.00 0.00 O ATOM 837 ND2 ASN A 55 11.124 2.894 5.489 1.00 0.00 N ATOM 0 H ASN A 55 8.668 2.593 3.682 1.00 0.00 H new ATOM 0 HA ASN A 55 10.671 2.990 1.614 1.00 0.00 H new ATOM 0 HB2 ASN A 55 11.427 1.039 3.769 1.00 0.00 H new ATOM 0 HB3 ASN A 55 12.456 1.922 2.659 1.00 0.00 H new ATOM 0 HD21 ASN A 55 11.225 3.545 6.268 1.00 0.00 H new ATOM 0 HD22 ASN A 55 10.473 2.112 5.559 1.00 0.00 H new ATOM 844 N ARG A 56 10.224 0.553 0.894 1.00 0.00 N ATOM 845 CA ARG A 56 9.700 -0.680 0.332 1.00 0.00 C ATOM 846 C ARG A 56 9.479 -1.715 1.438 1.00 0.00 C ATOM 847 O ARG A 56 8.435 -2.363 1.486 1.00 0.00 O ATOM 848 CB ARG A 56 10.654 -1.258 -0.715 1.00 0.00 C ATOM 849 CG ARG A 56 10.566 -0.477 -2.027 1.00 0.00 C ATOM 850 CD ARG A 56 9.974 -1.342 -3.142 1.00 0.00 C ATOM 851 NE ARG A 56 10.898 -2.452 -3.465 1.00 0.00 N ATOM 852 CZ ARG A 56 10.921 -3.090 -4.643 1.00 0.00 C ATOM 853 NH1 ARG A 56 10.072 -2.732 -5.616 1.00 0.00 N ATOM 854 NH2 ARG A 56 11.794 -4.086 -4.848 1.00 0.00 N ATOM 0 H ARG A 56 11.006 0.957 0.379 1.00 0.00 H new ATOM 0 HA ARG A 56 8.750 -0.448 -0.149 1.00 0.00 H new ATOM 0 HB2 ARG A 56 11.676 -1.227 -0.337 1.00 0.00 H new ATOM 0 HB3 ARG A 56 10.412 -2.305 -0.894 1.00 0.00 H new ATOM 0 HG2 ARG A 56 9.950 0.411 -1.885 1.00 0.00 H new ATOM 0 HG3 ARG A 56 11.559 -0.133 -2.317 1.00 0.00 H new ATOM 0 HD2 ARG A 56 9.008 -1.740 -2.831 1.00 0.00 H new ATOM 0 HD3 ARG A 56 9.797 -0.735 -4.030 1.00 0.00 H new ATOM 0 HE ARG A 56 11.558 -2.750 -2.747 1.00 0.00 H new ATOM 0 HH11 ARG A 56 9.408 -1.974 -5.460 1.00 0.00 H new ATOM 0 HH12 ARG A 56 10.090 -3.218 -6.513 1.00 0.00 H new ATOM 0 HH21 ARG A 56 12.440 -4.358 -4.107 1.00 0.00 H new ATOM 0 HH22 ARG A 56 11.812 -4.572 -5.745 1.00 0.00 H new ATOM 868 N GLN A 57 10.480 -1.837 2.298 1.00 0.00 N ATOM 869 CA GLN A 57 10.408 -2.782 3.399 1.00 0.00 C ATOM 870 C GLN A 57 9.035 -2.713 4.070 1.00 0.00 C ATOM 871 O GLN A 57 8.288 -3.690 4.067 1.00 0.00 O ATOM 872 CB GLN A 57 11.526 -2.529 4.412 1.00 0.00 C ATOM 873 CG GLN A 57 11.683 -3.717 5.364 1.00 0.00 C ATOM 874 CD GLN A 57 12.154 -3.255 6.744 1.00 0.00 C ATOM 875 OE1 GLN A 57 13.336 -3.220 7.046 1.00 0.00 O ATOM 876 NE2 GLN A 57 11.167 -2.904 7.563 1.00 0.00 N ATOM 0 H GLN A 57 11.344 -1.297 2.254 1.00 0.00 H new ATOM 0 HA GLN A 57 10.545 -3.787 2.999 1.00 0.00 H new ATOM 0 HB2 GLN A 57 12.465 -2.353 3.887 1.00 0.00 H new ATOM 0 HB3 GLN A 57 11.307 -1.627 4.983 1.00 0.00 H new ATOM 0 HG2 GLN A 57 10.732 -4.241 5.457 1.00 0.00 H new ATOM 0 HG3 GLN A 57 12.399 -4.427 4.950 1.00 0.00 H new ATOM 0 HE21 GLN A 57 10.199 -2.957 7.247 1.00 0.00 H new ATOM 0 HE22 GLN A 57 11.378 -2.582 8.507 1.00 0.00 H new ATOM 885 N GLU A 58 8.743 -1.547 4.629 1.00 0.00 N ATOM 886 CA GLU A 58 7.472 -1.337 5.302 1.00 0.00 C ATOM 887 C GLU A 58 6.334 -1.963 4.494 1.00 0.00 C ATOM 888 O GLU A 58 5.489 -2.666 5.046 1.00 0.00 O ATOM 889 CB GLU A 58 7.219 0.152 5.543 1.00 0.00 C ATOM 890 CG GLU A 58 7.194 0.469 7.040 1.00 0.00 C ATOM 891 CD GLU A 58 6.705 1.897 7.290 1.00 0.00 C ATOM 892 OE1 GLU A 58 7.438 2.826 6.887 1.00 0.00 O ATOM 893 OE2 GLU A 58 5.610 2.027 7.879 1.00 0.00 O ATOM 0 H GLU A 58 9.365 -0.738 4.630 1.00 0.00 H new ATOM 0 HA GLU A 58 7.513 -1.827 6.275 1.00 0.00 H new ATOM 0 HB2 GLU A 58 7.997 0.740 5.056 1.00 0.00 H new ATOM 0 HB3 GLU A 58 6.270 0.441 5.091 1.00 0.00 H new ATOM 0 HG2 GLU A 58 6.542 -0.238 7.554 1.00 0.00 H new ATOM 0 HG3 GLU A 58 8.193 0.344 7.459 1.00 0.00 H new ATOM 900 N GLY A 59 6.348 -1.686 3.198 1.00 0.00 N ATOM 901 CA GLY A 59 5.327 -2.213 2.309 1.00 0.00 C ATOM 902 C GLY A 59 5.270 -3.740 2.383 1.00 0.00 C ATOM 903 O GLY A 59 4.188 -4.325 2.380 1.00 0.00 O ATOM 0 H GLY A 59 7.051 -1.103 2.743 1.00 0.00 H new ATOM 0 HA2 GLY A 59 4.356 -1.796 2.577 1.00 0.00 H new ATOM 0 HA3 GLY A 59 5.536 -1.903 1.285 1.00 0.00 H new ATOM 907 N LEU A 60 6.449 -4.342 2.449 1.00 0.00 N ATOM 908 CA LEU A 60 6.546 -5.789 2.525 1.00 0.00 C ATOM 909 C LEU A 60 5.668 -6.297 3.670 1.00 0.00 C ATOM 910 O LEU A 60 4.781 -7.123 3.458 1.00 0.00 O ATOM 911 CB LEU A 60 8.009 -6.223 2.634 1.00 0.00 C ATOM 912 CG LEU A 60 8.267 -7.731 2.599 1.00 0.00 C ATOM 913 CD1 LEU A 60 8.391 -8.298 4.014 1.00 0.00 C ATOM 914 CD2 LEU A 60 7.191 -8.452 1.785 1.00 0.00 C ATOM 0 H LEU A 60 7.344 -3.854 2.451 1.00 0.00 H new ATOM 0 HA LEU A 60 6.169 -6.243 1.609 1.00 0.00 H new ATOM 0 HB2 LEU A 60 8.566 -5.760 1.819 1.00 0.00 H new ATOM 0 HB3 LEU A 60 8.416 -5.826 3.564 1.00 0.00 H new ATOM 0 HG LEU A 60 9.220 -7.904 2.098 1.00 0.00 H new ATOM 0 HD11 LEU A 60 8.574 -9.371 3.961 1.00 0.00 H new ATOM 0 HD12 LEU A 60 9.221 -7.813 4.529 1.00 0.00 H new ATOM 0 HD13 LEU A 60 7.467 -8.114 4.562 1.00 0.00 H new ATOM 0 HD21 LEU A 60 7.398 -9.522 1.776 1.00 0.00 H new ATOM 0 HD22 LEU A 60 6.214 -8.275 2.235 1.00 0.00 H new ATOM 0 HD23 LEU A 60 7.193 -8.073 0.763 1.00 0.00 H new ATOM 926 N MET A 61 5.944 -5.780 4.858 1.00 0.00 N ATOM 927 CA MET A 61 5.189 -6.170 6.037 1.00 0.00 C ATOM 928 C MET A 61 3.698 -5.881 5.854 1.00 0.00 C ATOM 929 O MET A 61 2.867 -6.777 5.996 1.00 0.00 O ATOM 930 CB MET A 61 5.712 -5.405 7.255 1.00 0.00 C ATOM 931 CG MET A 61 7.236 -5.505 7.352 1.00 0.00 C ATOM 932 SD MET A 61 7.769 -5.117 9.011 1.00 0.00 S ATOM 933 CE MET A 61 6.841 -3.618 9.292 1.00 0.00 C ATOM 0 H MET A 61 6.680 -5.095 5.030 1.00 0.00 H new ATOM 0 HA MET A 61 5.316 -7.242 6.188 1.00 0.00 H new ATOM 0 HB2 MET A 61 5.416 -4.358 7.186 1.00 0.00 H new ATOM 0 HB3 MET A 61 5.259 -5.805 8.162 1.00 0.00 H new ATOM 0 HG2 MET A 61 7.561 -6.510 7.083 1.00 0.00 H new ATOM 0 HG3 MET A 61 7.700 -4.819 6.643 1.00 0.00 H new ATOM 0 HE1 MET A 61 7.299 -3.053 10.104 1.00 0.00 H new ATOM 0 HE2 MET A 61 6.841 -3.014 8.384 1.00 0.00 H new ATOM 0 HE3 MET A 61 5.815 -3.870 9.560 1.00 0.00 H new ATOM 943 N ILE A 62 3.405 -4.628 5.542 1.00 0.00 N ATOM 944 CA ILE A 62 2.028 -4.210 5.339 1.00 0.00 C ATOM 945 C ILE A 62 1.347 -5.170 4.362 1.00 0.00 C ATOM 946 O ILE A 62 0.300 -5.737 4.671 1.00 0.00 O ATOM 947 CB ILE A 62 1.972 -2.745 4.900 1.00 0.00 C ATOM 948 CG1 ILE A 62 2.625 -1.835 5.942 1.00 0.00 C ATOM 949 CG2 ILE A 62 0.536 -2.320 4.588 1.00 0.00 C ATOM 950 CD1 ILE A 62 1.829 -1.838 7.248 1.00 0.00 C ATOM 0 H ILE A 62 4.097 -3.888 5.425 1.00 0.00 H new ATOM 0 HA ILE A 62 1.473 -4.260 6.276 1.00 0.00 H new ATOM 0 HB ILE A 62 2.545 -2.643 3.979 1.00 0.00 H new ATOM 0 HG12 ILE A 62 3.645 -2.168 6.133 1.00 0.00 H new ATOM 0 HG13 ILE A 62 2.689 -0.819 5.553 1.00 0.00 H new ATOM 0 HG21 ILE A 62 0.525 -1.275 4.279 1.00 0.00 H new ATOM 0 HG22 ILE A 62 0.139 -2.941 3.784 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -0.081 -2.441 5.478 1.00 0.00 H new ATOM 0 HD11 ILE A 62 2.315 -1.183 7.972 1.00 0.00 H new ATOM 0 HD12 ILE A 62 0.817 -1.481 7.058 1.00 0.00 H new ATOM 0 HD13 ILE A 62 1.788 -2.852 7.647 1.00 0.00 H new ATOM 962 N SER A 63 1.969 -5.325 3.202 1.00 0.00 N ATOM 963 CA SER A 63 1.436 -6.207 2.179 1.00 0.00 C ATOM 964 C SER A 63 0.832 -7.454 2.826 1.00 0.00 C ATOM 965 O SER A 63 -0.341 -7.760 2.617 1.00 0.00 O ATOM 966 CB SER A 63 2.520 -6.603 1.174 1.00 0.00 C ATOM 967 OG SER A 63 2.689 -5.620 0.156 1.00 0.00 O ATOM 0 H SER A 63 2.838 -4.854 2.949 1.00 0.00 H new ATOM 0 HA SER A 63 0.655 -5.671 1.639 1.00 0.00 H new ATOM 0 HB2 SER A 63 3.465 -6.748 1.698 1.00 0.00 H new ATOM 0 HB3 SER A 63 2.259 -7.557 0.717 1.00 0.00 H new ATOM 0 HG SER A 63 2.904 -6.061 -0.692 1.00 0.00 H new ATOM 973 N ALA A 64 1.660 -8.141 3.599 1.00 0.00 N ATOM 974 CA ALA A 64 1.221 -9.349 4.278 1.00 0.00 C ATOM 975 C ALA A 64 -0.183 -9.129 4.844 1.00 0.00 C ATOM 976 O ALA A 64 -1.083 -9.935 4.610 1.00 0.00 O ATOM 977 CB ALA A 64 2.235 -9.721 5.363 1.00 0.00 C ATOM 0 H ALA A 64 2.632 -7.885 3.770 1.00 0.00 H new ATOM 0 HA ALA A 64 1.168 -10.184 3.580 1.00 0.00 H new ATOM 0 HB1 ALA A 64 1.907 -10.627 5.873 1.00 0.00 H new ATOM 0 HB2 ALA A 64 3.209 -9.895 4.906 1.00 0.00 H new ATOM 0 HB3 ALA A 64 2.312 -8.907 6.084 1.00 0.00 H new ATOM 983 N SER A 65 -0.327 -8.035 5.577 1.00 0.00 N ATOM 984 CA SER A 65 -1.607 -7.699 6.177 1.00 0.00 C ATOM 985 C SER A 65 -2.713 -7.763 5.122 1.00 0.00 C ATOM 986 O SER A 65 -3.808 -8.253 5.394 1.00 0.00 O ATOM 987 CB SER A 65 -1.567 -6.312 6.821 1.00 0.00 C ATOM 988 OG SER A 65 -2.037 -6.333 8.165 1.00 0.00 O ATOM 0 H SER A 65 0.422 -7.370 5.769 1.00 0.00 H new ATOM 0 HA SER A 65 -1.819 -8.427 6.960 1.00 0.00 H new ATOM 0 HB2 SER A 65 -0.546 -5.932 6.800 1.00 0.00 H new ATOM 0 HB3 SER A 65 -2.175 -5.623 6.235 1.00 0.00 H new ATOM 0 HG SER A 65 -1.994 -5.429 8.541 1.00 0.00 H new ATOM 994 N LEU A 66 -2.389 -7.260 3.940 1.00 0.00 N ATOM 995 CA LEU A 66 -3.341 -7.254 2.842 1.00 0.00 C ATOM 996 C LEU A 66 -3.602 -8.692 2.391 1.00 0.00 C ATOM 997 O LEU A 66 -4.746 -9.143 2.375 1.00 0.00 O ATOM 998 CB LEU A 66 -2.857 -6.335 1.719 1.00 0.00 C ATOM 999 CG LEU A 66 -2.913 -4.834 2.009 1.00 0.00 C ATOM 1000 CD1 LEU A 66 -4.331 -4.291 1.822 1.00 0.00 C ATOM 1001 CD2 LEU A 66 -2.359 -4.524 3.401 1.00 0.00 C ATOM 0 H LEU A 66 -1.480 -6.853 3.718 1.00 0.00 H new ATOM 0 HA LEU A 66 -4.297 -6.844 3.168 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -1.828 -6.600 1.478 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -3.454 -6.536 0.830 1.00 0.00 H new ATOM 0 HG LEU A 66 -2.276 -4.323 1.287 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -4.342 -3.222 2.035 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -4.653 -4.460 0.794 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -5.010 -4.804 2.504 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -2.410 -3.450 3.582 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -2.950 -5.047 4.153 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -1.322 -4.853 3.461 1.00 0.00 H new ATOM 1013 N LEU A 67 -2.522 -9.372 2.036 1.00 0.00 N ATOM 1014 CA LEU A 67 -2.620 -10.750 1.586 1.00 0.00 C ATOM 1015 C LEU A 67 -3.386 -11.569 2.627 1.00 0.00 C ATOM 1016 O LEU A 67 -4.400 -12.189 2.311 1.00 0.00 O ATOM 1017 CB LEU A 67 -1.233 -11.309 1.263 1.00 0.00 C ATOM 1018 CG LEU A 67 -1.152 -12.822 1.050 1.00 0.00 C ATOM 1019 CD1 LEU A 67 -0.911 -13.155 -0.424 1.00 0.00 C ATOM 1020 CD2 LEU A 67 -0.092 -13.447 1.959 1.00 0.00 C ATOM 0 H LEU A 67 -1.575 -8.994 2.051 1.00 0.00 H new ATOM 0 HA LEU A 67 -3.185 -10.807 0.656 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -0.865 -10.815 0.364 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -0.557 -11.040 2.074 1.00 0.00 H new ATOM 0 HG LEU A 67 -2.112 -13.259 1.327 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -0.857 -14.237 -0.549 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -1.731 -12.761 -1.025 1.00 0.00 H new ATOM 0 HD13 LEU A 67 0.027 -12.705 -0.750 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -0.055 -14.523 1.788 1.00 0.00 H new ATOM 0 HD22 LEU A 67 0.882 -13.010 1.737 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -0.347 -13.254 3.001 1.00 0.00 H new ATOM 1032 N SER A 68 -2.870 -11.546 3.847 1.00 0.00 N ATOM 1033 CA SER A 68 -3.492 -12.279 4.937 1.00 0.00 C ATOM 1034 C SER A 68 -5.015 -12.186 4.827 1.00 0.00 C ATOM 1035 O SER A 68 -5.684 -13.185 4.566 1.00 0.00 O ATOM 1036 CB SER A 68 -3.025 -11.749 6.294 1.00 0.00 C ATOM 1037 OG SER A 68 -2.337 -12.745 7.047 1.00 0.00 O ATOM 0 H SER A 68 -2.028 -11.031 4.105 1.00 0.00 H new ATOM 0 HA SER A 68 -3.191 -13.324 4.862 1.00 0.00 H new ATOM 0 HB2 SER A 68 -2.369 -10.891 6.142 1.00 0.00 H new ATOM 0 HB3 SER A 68 -3.886 -11.396 6.861 1.00 0.00 H new ATOM 0 HG SER A 68 -2.053 -12.368 7.906 1.00 0.00 H new ATOM 1043 N GLU A 69 -5.519 -10.978 5.033 1.00 0.00 N ATOM 1044 CA GLU A 69 -6.951 -10.742 4.960 1.00 0.00 C ATOM 1045 C GLU A 69 -7.558 -11.519 3.790 1.00 0.00 C ATOM 1046 O GLU A 69 -8.671 -12.034 3.893 1.00 0.00 O ATOM 1047 CB GLU A 69 -7.255 -9.248 4.842 1.00 0.00 C ATOM 1048 CG GLU A 69 -7.021 -8.534 6.175 1.00 0.00 C ATOM 1049 CD GLU A 69 -8.161 -8.815 7.156 1.00 0.00 C ATOM 1050 OE1 GLU A 69 -9.326 -8.720 6.714 1.00 0.00 O ATOM 1051 OE2 GLU A 69 -7.841 -9.120 8.325 1.00 0.00 O ATOM 0 H GLU A 69 -4.961 -10.152 5.250 1.00 0.00 H new ATOM 0 HA GLU A 69 -7.406 -11.100 5.884 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -6.624 -8.804 4.072 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -8.289 -9.107 4.527 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -6.076 -8.863 6.607 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -6.938 -7.460 6.007 1.00 0.00 H new ATOM 1058 N GLY A 70 -6.801 -11.580 2.705 1.00 0.00 N ATOM 1059 CA GLY A 70 -7.250 -12.286 1.517 1.00 0.00 C ATOM 1060 C GLY A 70 -7.459 -11.318 0.351 1.00 0.00 C ATOM 1061 O GLY A 70 -8.043 -11.685 -0.668 1.00 0.00 O ATOM 0 H GLY A 70 -5.879 -11.152 2.623 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -6.516 -13.042 1.240 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -8.182 -12.810 1.731 1.00 0.00 H new ATOM 1065 N TYR A 71 -6.970 -10.101 0.539 1.00 0.00 N ATOM 1066 CA TYR A 71 -7.095 -9.078 -0.486 1.00 0.00 C ATOM 1067 C TYR A 71 -6.251 -9.425 -1.713 1.00 0.00 C ATOM 1068 O TYR A 71 -6.530 -8.956 -2.816 1.00 0.00 O ATOM 1069 CB TYR A 71 -6.560 -7.788 0.139 1.00 0.00 C ATOM 1070 CG TYR A 71 -7.537 -7.111 1.102 1.00 0.00 C ATOM 1071 CD1 TYR A 71 -8.791 -6.738 0.664 1.00 0.00 C ATOM 1072 CD2 TYR A 71 -7.164 -6.872 2.409 1.00 0.00 C ATOM 1073 CE1 TYR A 71 -9.711 -6.100 1.570 1.00 0.00 C ATOM 1074 CE2 TYR A 71 -8.083 -6.235 3.316 1.00 0.00 C ATOM 1075 CZ TYR A 71 -9.311 -5.880 2.851 1.00 0.00 C ATOM 1076 OH TYR A 71 -10.180 -5.278 3.707 1.00 0.00 O ATOM 0 H TYR A 71 -6.487 -9.800 1.385 1.00 0.00 H new ATOM 0 HA TYR A 71 -8.131 -8.986 -0.812 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -5.636 -8.011 0.672 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -6.307 -7.088 -0.658 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -9.083 -6.925 -0.359 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -6.182 -7.163 2.752 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -10.696 -5.803 1.240 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -7.804 -6.044 4.342 1.00 0.00 H new ATOM 0 HH TYR A 71 -9.761 -5.186 4.588 1.00 0.00 H new ATOM 1086 N LEU A 72 -5.236 -10.244 -1.481 1.00 0.00 N ATOM 1087 CA LEU A 72 -4.349 -10.659 -2.555 1.00 0.00 C ATOM 1088 C LEU A 72 -4.237 -12.185 -2.557 1.00 0.00 C ATOM 1089 O LEU A 72 -3.742 -12.776 -1.599 1.00 0.00 O ATOM 1090 CB LEU A 72 -3.001 -9.944 -2.443 1.00 0.00 C ATOM 1091 CG LEU A 72 -3.058 -8.421 -2.315 1.00 0.00 C ATOM 1092 CD1 LEU A 72 -1.690 -7.851 -1.935 1.00 0.00 C ATOM 1093 CD2 LEU A 72 -3.611 -7.783 -3.591 1.00 0.00 C ATOM 0 H LEU A 72 -5.008 -10.631 -0.565 1.00 0.00 H new ATOM 0 HA LEU A 72 -4.759 -10.367 -3.522 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -2.472 -10.342 -1.577 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -2.406 -10.193 -3.322 1.00 0.00 H new ATOM 0 HG LEU A 72 -3.746 -8.172 -1.507 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -1.758 -6.766 -1.851 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -1.374 -8.270 -0.980 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -0.962 -8.110 -2.704 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -3.641 -6.700 -3.473 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -2.968 -8.039 -4.434 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -4.618 -8.155 -3.777 1.00 0.00 H new ATOM 1105 N GLN A 73 -4.707 -12.779 -3.645 1.00 0.00 N ATOM 1106 CA GLN A 73 -4.666 -14.224 -3.785 1.00 0.00 C ATOM 1107 C GLN A 73 -3.329 -14.662 -4.386 1.00 0.00 C ATOM 1108 O GLN A 73 -2.814 -14.018 -5.298 1.00 0.00 O ATOM 1109 CB GLN A 73 -5.838 -14.727 -4.630 1.00 0.00 C ATOM 1110 CG GLN A 73 -7.164 -14.552 -3.888 1.00 0.00 C ATOM 1111 CD GLN A 73 -7.525 -15.816 -3.105 1.00 0.00 C ATOM 1112 OE1 GLN A 73 -7.556 -16.916 -3.631 1.00 0.00 O ATOM 1113 NE2 GLN A 73 -7.795 -15.598 -1.821 1.00 0.00 N ATOM 0 H GLN A 73 -5.118 -12.285 -4.437 1.00 0.00 H new ATOM 0 HA GLN A 73 -4.759 -14.668 -2.794 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -5.871 -14.182 -5.574 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -5.690 -15.779 -4.874 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -7.094 -13.705 -3.206 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -7.956 -14.323 -4.601 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -7.751 -14.651 -1.444 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -8.046 -16.378 -1.213 1.00 0.00 H new ATOM 1122 N PRO A 74 -2.791 -15.784 -3.836 1.00 0.00 N ATOM 1123 CA PRO A 74 -1.524 -16.315 -4.308 1.00 0.00 C ATOM 1124 C PRO A 74 -1.692 -17.016 -5.658 1.00 0.00 C ATOM 1125 O PRO A 74 -2.731 -17.618 -5.924 1.00 0.00 O ATOM 1126 CB PRO A 74 -1.056 -17.253 -3.207 1.00 0.00 C ATOM 1127 CG PRO A 74 -2.289 -17.569 -2.376 1.00 0.00 C ATOM 1128 CD PRO A 74 -3.374 -16.573 -2.754 1.00 0.00 C ATOM 0 HA PRO A 74 -0.784 -15.536 -4.491 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -0.624 -18.162 -3.626 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -0.284 -16.785 -2.597 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -2.625 -18.589 -2.564 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -2.061 -17.499 -1.312 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -4.282 -17.081 -3.079 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -3.646 -15.943 -1.907 1.00 0.00 H new ATOM 1136 N ALA A 75 -0.654 -16.914 -6.475 1.00 0.00 N ATOM 1137 CA ALA A 75 -0.673 -17.530 -7.790 1.00 0.00 C ATOM 1138 C ALA A 75 0.678 -18.197 -8.057 1.00 0.00 C ATOM 1139 O ALA A 75 1.651 -17.523 -8.391 1.00 0.00 O ATOM 1140 CB ALA A 75 -1.021 -16.476 -8.843 1.00 0.00 C ATOM 0 H ALA A 75 0.206 -16.413 -6.251 1.00 0.00 H new ATOM 0 HA ALA A 75 -1.438 -18.305 -7.839 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -1.035 -16.939 -9.830 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -2.002 -16.055 -8.626 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -0.274 -15.683 -8.825 1.00 0.00 H new ATOM 1146 N GLY A 76 0.694 -19.512 -7.898 1.00 0.00 N ATOM 1147 CA GLY A 76 1.910 -20.277 -8.117 1.00 0.00 C ATOM 1148 C GLY A 76 2.664 -20.496 -6.804 1.00 0.00 C ATOM 1149 O GLY A 76 2.357 -19.864 -5.795 1.00 0.00 O ATOM 0 H GLY A 76 -0.115 -20.067 -7.620 1.00 0.00 H new ATOM 0 HA2 GLY A 76 1.663 -21.240 -8.563 1.00 0.00 H new ATOM 0 HA3 GLY A 76 2.551 -19.753 -8.826 1.00 0.00 H new ATOM 1153 N ASP A 77 3.638 -21.393 -6.861 1.00 0.00 N ATOM 1154 CA ASP A 77 4.439 -21.703 -5.689 1.00 0.00 C ATOM 1155 C ASP A 77 5.046 -20.412 -5.136 1.00 0.00 C ATOM 1156 O ASP A 77 4.680 -19.317 -5.560 1.00 0.00 O ATOM 1157 CB ASP A 77 5.586 -22.652 -6.040 1.00 0.00 C ATOM 1158 CG ASP A 77 5.199 -23.828 -6.939 1.00 0.00 C ATOM 1159 OD1 ASP A 77 4.056 -24.310 -6.783 1.00 0.00 O ATOM 1160 OD2 ASP A 77 6.055 -24.220 -7.762 1.00 0.00 O ATOM 0 H ASP A 77 3.890 -21.915 -7.700 1.00 0.00 H new ATOM 0 HA ASP A 77 3.790 -22.179 -4.954 1.00 0.00 H new ATOM 0 HB2 ASP A 77 6.373 -22.081 -6.533 1.00 0.00 H new ATOM 0 HB3 ASP A 77 6.009 -23.045 -5.115 1.00 0.00 H new ATOM 1165 N LEU A 78 5.965 -20.583 -4.196 1.00 0.00 N ATOM 1166 CA LEU A 78 6.627 -19.446 -3.581 1.00 0.00 C ATOM 1167 C LEU A 78 5.633 -18.708 -2.681 1.00 0.00 C ATOM 1168 O LEU A 78 5.688 -18.830 -1.458 1.00 0.00 O ATOM 1169 CB LEU A 78 7.267 -18.556 -4.648 1.00 0.00 C ATOM 1170 CG LEU A 78 8.794 -18.463 -4.616 1.00 0.00 C ATOM 1171 CD1 LEU A 78 9.336 -17.893 -5.928 1.00 0.00 C ATOM 1172 CD2 LEU A 78 9.269 -17.661 -3.403 1.00 0.00 C ATOM 0 H LEU A 78 6.266 -21.492 -3.846 1.00 0.00 H new ATOM 0 HA LEU A 78 7.446 -19.781 -2.945 1.00 0.00 H new ATOM 0 HB2 LEU A 78 6.966 -18.924 -5.629 1.00 0.00 H new ATOM 0 HB3 LEU A 78 6.859 -17.550 -4.546 1.00 0.00 H new ATOM 0 HG LEU A 78 9.196 -19.471 -4.513 1.00 0.00 H new ATOM 0 HD11 LEU A 78 10.423 -17.837 -5.879 1.00 0.00 H new ATOM 0 HD12 LEU A 78 9.043 -18.540 -6.755 1.00 0.00 H new ATOM 0 HD13 LEU A 78 8.929 -16.895 -6.087 1.00 0.00 H new ATOM 0 HD21 LEU A 78 10.358 -17.610 -3.404 1.00 0.00 H new ATOM 0 HD22 LEU A 78 8.859 -16.652 -3.450 1.00 0.00 H new ATOM 0 HD23 LEU A 78 8.930 -18.148 -2.489 1.00 0.00 H new ATOM 1184 N SER A 79 4.747 -17.959 -3.322 1.00 0.00 N ATOM 1185 CA SER A 79 3.743 -17.202 -2.595 1.00 0.00 C ATOM 1186 C SER A 79 2.823 -18.154 -1.827 1.00 0.00 C ATOM 1187 O SER A 79 2.587 -17.969 -0.635 1.00 0.00 O ATOM 1188 CB SER A 79 2.924 -16.322 -3.541 1.00 0.00 C ATOM 1189 OG SER A 79 3.751 -15.462 -4.320 1.00 0.00 O ATOM 0 H SER A 79 4.704 -17.861 -4.336 1.00 0.00 H new ATOM 0 HA SER A 79 4.254 -16.550 -1.887 1.00 0.00 H new ATOM 0 HB2 SER A 79 2.333 -16.954 -4.203 1.00 0.00 H new ATOM 0 HB3 SER A 79 2.222 -15.723 -2.962 1.00 0.00 H new ATOM 0 HG SER A 79 3.189 -14.851 -4.841 1.00 0.00 H new ATOM 1195 N LYS A 80 2.329 -19.154 -2.543 1.00 0.00 N ATOM 1196 CA LYS A 80 1.441 -20.135 -1.945 1.00 0.00 C ATOM 1197 C LYS A 80 2.132 -20.773 -0.738 1.00 0.00 C ATOM 1198 O LYS A 80 1.585 -20.779 0.364 1.00 0.00 O ATOM 1199 CB LYS A 80 0.976 -21.148 -2.994 1.00 0.00 C ATOM 1200 CG LYS A 80 -0.550 -21.243 -3.026 1.00 0.00 C ATOM 1201 CD LYS A 80 -1.011 -22.340 -3.988 1.00 0.00 C ATOM 1202 CE LYS A 80 -0.697 -23.728 -3.428 1.00 0.00 C ATOM 1203 NZ LYS A 80 -1.923 -24.554 -3.371 1.00 0.00 N ATOM 0 H LYS A 80 2.527 -19.305 -3.532 1.00 0.00 H new ATOM 0 HA LYS A 80 0.535 -19.654 -1.577 1.00 0.00 H new ATOM 0 HB2 LYS A 80 1.346 -20.855 -3.976 1.00 0.00 H new ATOM 0 HB3 LYS A 80 1.400 -22.127 -2.772 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -0.926 -21.451 -2.024 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -0.971 -20.285 -3.332 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -2.083 -22.248 -4.163 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -0.519 -22.213 -4.952 1.00 0.00 H new ATOM 0 HE2 LYS A 80 0.050 -24.218 -4.053 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -0.267 -23.635 -2.431 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -1.692 -25.493 -2.988 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -2.624 -24.093 -2.756 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -2.317 -24.658 -4.328 1.00 0.00 H new ATOM 1217 N ASN A 81 3.324 -21.296 -0.987 1.00 0.00 N ATOM 1218 CA ASN A 81 4.095 -21.935 0.066 1.00 0.00 C ATOM 1219 C ASN A 81 4.134 -21.019 1.291 1.00 0.00 C ATOM 1220 O ASN A 81 4.234 -21.494 2.422 1.00 0.00 O ATOM 1221 CB ASN A 81 5.536 -22.186 -0.383 1.00 0.00 C ATOM 1222 CG ASN A 81 5.610 -23.364 -1.357 1.00 0.00 C ATOM 1223 OD1 ASN A 81 5.701 -23.201 -2.562 1.00 0.00 O ATOM 1224 ND2 ASN A 81 5.566 -24.556 -0.768 1.00 0.00 N ATOM 0 H ASN A 81 3.774 -21.290 -1.902 1.00 0.00 H new ATOM 0 HA ASN A 81 3.620 -22.887 0.303 1.00 0.00 H new ATOM 0 HB2 ASN A 81 5.933 -21.290 -0.860 1.00 0.00 H new ATOM 0 HB3 ASN A 81 6.161 -22.389 0.486 1.00 0.00 H new ATOM 0 HD21 ASN A 81 5.609 -25.405 -1.331 1.00 0.00 H new ATOM 0 HD22 ASN A 81 5.489 -24.621 0.247 1.00 0.00 H new ATOM 1231 N ALA A 82 4.053 -19.724 1.025 1.00 0.00 N ATOM 1232 CA ALA A 82 4.078 -18.738 2.092 1.00 0.00 C ATOM 1233 C ALA A 82 2.830 -18.903 2.962 1.00 0.00 C ATOM 1234 O ALA A 82 2.933 -19.212 4.148 1.00 0.00 O ATOM 1235 CB ALA A 82 4.187 -17.336 1.489 1.00 0.00 C ATOM 0 H ALA A 82 3.970 -19.334 0.086 1.00 0.00 H new ATOM 0 HA ALA A 82 4.948 -18.886 2.732 1.00 0.00 H new ATOM 0 HB1 ALA A 82 4.206 -16.596 2.289 1.00 0.00 H new ATOM 0 HB2 ALA A 82 5.104 -17.262 0.904 1.00 0.00 H new ATOM 0 HB3 ALA A 82 3.329 -17.150 0.843 1.00 0.00 H new ATOM 1241 N ALA A 83 1.681 -18.690 2.339 1.00 0.00 N ATOM 1242 CA ALA A 83 0.415 -18.811 3.041 1.00 0.00 C ATOM 1243 C ALA A 83 0.362 -20.162 3.758 1.00 0.00 C ATOM 1244 O ALA A 83 -0.380 -20.326 4.726 1.00 0.00 O ATOM 1245 CB ALA A 83 -0.738 -18.630 2.052 1.00 0.00 C ATOM 0 H ALA A 83 1.600 -18.434 1.355 1.00 0.00 H new ATOM 0 HA ALA A 83 0.320 -18.032 3.797 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -1.688 -18.721 2.580 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -0.671 -17.644 1.592 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -0.678 -19.396 1.279 1.00 0.00 H new ATOM 1251 N ASP A 84 1.158 -21.094 3.256 1.00 0.00 N ATOM 1252 CA ASP A 84 1.211 -22.425 3.836 1.00 0.00 C ATOM 1253 C ASP A 84 1.348 -22.309 5.355 1.00 0.00 C ATOM 1254 O ASP A 84 0.447 -22.702 6.095 1.00 0.00 O ATOM 1255 CB ASP A 84 2.416 -23.207 3.311 1.00 0.00 C ATOM 1256 CG ASP A 84 2.307 -24.728 3.442 1.00 0.00 C ATOM 1257 OD1 ASP A 84 1.729 -25.170 4.458 1.00 0.00 O ATOM 1258 OD2 ASP A 84 2.803 -25.414 2.522 1.00 0.00 O ATOM 0 H ASP A 84 1.772 -20.954 2.454 1.00 0.00 H new ATOM 0 HA ASP A 84 0.295 -22.949 3.563 1.00 0.00 H new ATOM 0 HB2 ASP A 84 2.562 -22.957 2.260 1.00 0.00 H new ATOM 0 HB3 ASP A 84 3.306 -22.874 3.844 1.00 0.00 H new ATOM 1263 N GLY A 85 2.482 -21.768 5.776 1.00 0.00 N ATOM 1264 CA GLY A 85 2.748 -21.595 7.193 1.00 0.00 C ATOM 1265 C GLY A 85 4.251 -21.484 7.459 1.00 0.00 C ATOM 1266 O GLY A 85 4.761 -22.071 8.412 1.00 0.00 O ATOM 0 H GLY A 85 3.227 -21.444 5.160 1.00 0.00 H new ATOM 0 HA2 GLY A 85 2.244 -20.699 7.555 1.00 0.00 H new ATOM 0 HA3 GLY A 85 2.338 -22.438 7.749 1.00 0.00 H new ATOM 1270 N ILE A 86 4.917 -20.728 6.600 1.00 0.00 N ATOM 1271 CA ILE A 86 6.351 -20.532 6.730 1.00 0.00 C ATOM 1272 C ILE A 86 6.645 -19.801 8.041 1.00 0.00 C ATOM 1273 O ILE A 86 7.031 -20.422 9.030 1.00 0.00 O ATOM 1274 CB ILE A 86 6.910 -19.826 5.493 1.00 0.00 C ATOM 1275 CG1 ILE A 86 7.099 -20.811 4.337 1.00 0.00 C ATOM 1276 CG2 ILE A 86 8.203 -19.078 5.826 1.00 0.00 C ATOM 1277 CD1 ILE A 86 7.029 -20.094 2.988 1.00 0.00 C ATOM 0 H ILE A 86 4.490 -20.243 5.810 1.00 0.00 H new ATOM 0 HA ILE A 86 6.864 -21.493 6.779 1.00 0.00 H new ATOM 0 HB ILE A 86 6.183 -19.083 5.166 1.00 0.00 H new ATOM 0 HG12 ILE A 86 8.061 -21.313 4.436 1.00 0.00 H new ATOM 0 HG13 ILE A 86 6.331 -21.583 4.383 1.00 0.00 H new ATOM 0 HG21 ILE A 86 8.579 -18.585 4.930 1.00 0.00 H new ATOM 0 HG22 ILE A 86 8.004 -18.331 6.594 1.00 0.00 H new ATOM 0 HG23 ILE A 86 8.948 -19.784 6.192 1.00 0.00 H new ATOM 0 HD11 ILE A 86 7.166 -20.817 2.184 1.00 0.00 H new ATOM 0 HD12 ILE A 86 6.057 -19.613 2.881 1.00 0.00 H new ATOM 0 HD13 ILE A 86 7.814 -19.340 2.936 1.00 0.00 H new ATOM 1289 N ALA A 87 6.452 -18.490 8.006 1.00 0.00 N ATOM 1290 CA ALA A 87 6.692 -17.668 9.180 1.00 0.00 C ATOM 1291 C ALA A 87 5.545 -16.668 9.339 1.00 0.00 C ATOM 1292 O ALA A 87 4.389 -16.997 9.079 1.00 0.00 O ATOM 1293 CB ALA A 87 8.052 -16.979 9.051 1.00 0.00 C ATOM 0 H ALA A 87 6.133 -17.978 7.184 1.00 0.00 H new ATOM 0 HA ALA A 87 6.722 -18.282 10.080 1.00 0.00 H new ATOM 0 HB1 ALA A 87 8.232 -16.362 9.931 1.00 0.00 H new ATOM 0 HB2 ALA A 87 8.835 -17.733 8.969 1.00 0.00 H new ATOM 0 HB3 ALA A 87 8.059 -16.351 8.160 1.00 0.00 H new ATOM 1299 N GLU A 88 5.904 -15.466 9.766 1.00 0.00 N ATOM 1300 CA GLU A 88 4.920 -14.416 9.963 1.00 0.00 C ATOM 1301 C GLU A 88 4.920 -13.458 8.770 1.00 0.00 C ATOM 1302 O GLU A 88 4.299 -12.397 8.822 1.00 0.00 O ATOM 1303 CB GLU A 88 5.174 -13.664 11.271 1.00 0.00 C ATOM 1304 CG GLU A 88 3.927 -13.667 12.157 1.00 0.00 C ATOM 1305 CD GLU A 88 3.890 -12.430 13.057 1.00 0.00 C ATOM 1306 OE1 GLU A 88 4.904 -12.205 13.753 1.00 0.00 O ATOM 1307 OE2 GLU A 88 2.850 -11.738 13.027 1.00 0.00 O ATOM 0 H GLU A 88 6.864 -15.196 9.981 1.00 0.00 H new ATOM 0 HA GLU A 88 3.935 -14.877 10.034 1.00 0.00 H new ATOM 0 HB2 GLU A 88 6.005 -14.126 11.805 1.00 0.00 H new ATOM 0 HB3 GLU A 88 5.467 -12.637 11.053 1.00 0.00 H new ATOM 0 HG2 GLU A 88 3.034 -13.694 11.533 1.00 0.00 H new ATOM 0 HG3 GLU A 88 3.915 -14.568 12.771 1.00 0.00 H new ATOM 1314 N ASN A 89 5.623 -13.866 7.724 1.00 0.00 N ATOM 1315 CA ASN A 89 5.712 -13.056 6.521 1.00 0.00 C ATOM 1316 C ASN A 89 5.348 -13.914 5.307 1.00 0.00 C ATOM 1317 O ASN A 89 6.224 -14.492 4.666 1.00 0.00 O ATOM 1318 CB ASN A 89 7.133 -12.527 6.317 1.00 0.00 C ATOM 1319 CG ASN A 89 7.417 -11.347 7.248 1.00 0.00 C ATOM 1320 OD1 ASN A 89 7.690 -11.505 8.427 1.00 0.00 O ATOM 1321 ND2 ASN A 89 7.339 -10.159 6.656 1.00 0.00 N ATOM 0 H ASN A 89 6.136 -14.747 7.684 1.00 0.00 H new ATOM 0 HA ASN A 89 5.027 -12.215 6.628 1.00 0.00 H new ATOM 0 HB2 ASN A 89 7.852 -13.324 6.505 1.00 0.00 H new ATOM 0 HB3 ASN A 89 7.264 -12.217 5.280 1.00 0.00 H new ATOM 0 HD21 ASN A 89 7.512 -9.309 7.193 1.00 0.00 H new ATOM 0 HD22 ASN A 89 7.106 -10.097 5.665 1.00 0.00 H new ATOM 1328 N PRO A 90 4.020 -13.971 5.021 1.00 0.00 N ATOM 1329 CA PRO A 90 3.529 -14.748 3.895 1.00 0.00 C ATOM 1330 C PRO A 90 3.820 -14.038 2.571 1.00 0.00 C ATOM 1331 O PRO A 90 3.872 -14.675 1.520 1.00 0.00 O ATOM 1332 CB PRO A 90 2.043 -14.928 4.159 1.00 0.00 C ATOM 1333 CG PRO A 90 1.668 -13.859 5.173 1.00 0.00 C ATOM 1334 CD PRO A 90 2.954 -13.299 5.758 1.00 0.00 C ATOM 0 HA PRO A 90 4.023 -15.715 3.804 1.00 0.00 H new ATOM 0 HB2 PRO A 90 1.467 -14.815 3.241 1.00 0.00 H new ATOM 0 HB3 PRO A 90 1.833 -15.925 4.546 1.00 0.00 H new ATOM 0 HG2 PRO A 90 1.089 -13.068 4.697 1.00 0.00 H new ATOM 0 HG3 PRO A 90 1.043 -14.282 5.960 1.00 0.00 H new ATOM 0 HD2 PRO A 90 3.008 -12.217 5.634 1.00 0.00 H new ATOM 0 HD3 PRO A 90 3.024 -13.501 6.827 1.00 0.00 H new ATOM 1342 N PHE A 91 4.001 -12.729 2.665 1.00 0.00 N ATOM 1343 CA PHE A 91 4.284 -11.926 1.488 1.00 0.00 C ATOM 1344 C PHE A 91 5.776 -11.956 1.150 1.00 0.00 C ATOM 1345 O PHE A 91 6.617 -11.716 2.015 1.00 0.00 O ATOM 1346 CB PHE A 91 3.878 -10.489 1.818 1.00 0.00 C ATOM 1347 CG PHE A 91 3.221 -9.745 0.654 1.00 0.00 C ATOM 1348 CD1 PHE A 91 1.887 -9.880 0.426 1.00 0.00 C ATOM 1349 CD2 PHE A 91 3.971 -8.947 -0.153 1.00 0.00 C ATOM 1350 CE1 PHE A 91 1.277 -9.190 -0.654 1.00 0.00 C ATOM 1351 CE2 PHE A 91 3.361 -8.257 -1.234 1.00 0.00 C ATOM 1352 CZ PHE A 91 2.027 -8.393 -1.462 1.00 0.00 C ATOM 0 H PHE A 91 3.957 -12.204 3.539 1.00 0.00 H new ATOM 0 HA PHE A 91 3.736 -12.317 0.631 1.00 0.00 H new ATOM 0 HB2 PHE A 91 3.189 -10.502 2.663 1.00 0.00 H new ATOM 0 HB3 PHE A 91 4.762 -9.937 2.136 1.00 0.00 H new ATOM 0 HD1 PHE A 91 1.291 -10.513 1.067 1.00 0.00 H new ATOM 0 HD2 PHE A 91 5.030 -8.838 0.028 1.00 0.00 H new ATOM 0 HE1 PHE A 91 0.218 -9.298 -0.834 1.00 0.00 H new ATOM 0 HE2 PHE A 91 3.957 -7.624 -1.875 1.00 0.00 H new ATOM 0 HZ PHE A 91 1.563 -7.868 -2.284 1.00 0.00 H new ATOM 1362 N LEU A 92 6.059 -12.254 -0.110 1.00 0.00 N ATOM 1363 CA LEU A 92 7.435 -12.319 -0.573 1.00 0.00 C ATOM 1364 C LEU A 92 7.743 -11.081 -1.418 1.00 0.00 C ATOM 1365 O LEU A 92 7.240 -10.945 -2.532 1.00 0.00 O ATOM 1366 CB LEU A 92 7.694 -13.640 -1.300 1.00 0.00 C ATOM 1367 CG LEU A 92 7.464 -14.912 -0.481 1.00 0.00 C ATOM 1368 CD1 LEU A 92 6.059 -14.927 0.126 1.00 0.00 C ATOM 1369 CD2 LEU A 92 7.739 -16.161 -1.320 1.00 0.00 C ATOM 0 H LEU A 92 5.359 -12.453 -0.824 1.00 0.00 H new ATOM 0 HA LEU A 92 8.123 -12.307 0.273 1.00 0.00 H new ATOM 0 HB2 LEU A 92 7.054 -13.678 -2.181 1.00 0.00 H new ATOM 0 HB3 LEU A 92 8.725 -13.641 -1.654 1.00 0.00 H new ATOM 0 HG LEU A 92 8.173 -14.918 0.347 1.00 0.00 H new ATOM 0 HD11 LEU A 92 5.922 -15.842 0.703 1.00 0.00 H new ATOM 0 HD12 LEU A 92 5.936 -14.064 0.780 1.00 0.00 H new ATOM 0 HD13 LEU A 92 5.317 -14.887 -0.672 1.00 0.00 H new ATOM 0 HD21 LEU A 92 7.568 -17.051 -0.714 1.00 0.00 H new ATOM 0 HD22 LEU A 92 7.072 -16.175 -2.182 1.00 0.00 H new ATOM 0 HD23 LEU A 92 8.774 -16.149 -1.663 1.00 0.00 H new ATOM 1381 N ASP A 93 8.568 -10.210 -0.856 1.00 0.00 N ATOM 1382 CA ASP A 93 8.949 -8.989 -1.544 1.00 0.00 C ATOM 1383 C ASP A 93 9.818 -9.339 -2.753 1.00 0.00 C ATOM 1384 O ASP A 93 11.014 -9.052 -2.766 1.00 0.00 O ATOM 1385 CB ASP A 93 9.760 -8.071 -0.628 1.00 0.00 C ATOM 1386 CG ASP A 93 10.483 -6.924 -1.338 1.00 0.00 C ATOM 1387 OD1 ASP A 93 9.858 -6.334 -2.245 1.00 0.00 O ATOM 1388 OD2 ASP A 93 11.645 -6.663 -0.957 1.00 0.00 O ATOM 0 H ASP A 93 8.983 -10.326 0.068 1.00 0.00 H new ATOM 0 HA ASP A 93 8.037 -8.477 -1.852 1.00 0.00 H new ATOM 0 HB2 ASP A 93 9.092 -7.650 0.123 1.00 0.00 H new ATOM 0 HB3 ASP A 93 10.498 -8.672 -0.097 1.00 0.00 H new ATOM 1393 N SER A 94 9.184 -9.955 -3.740 1.00 0.00 N ATOM 1394 CA SER A 94 9.885 -10.348 -4.950 1.00 0.00 C ATOM 1395 C SER A 94 8.943 -10.257 -6.153 1.00 0.00 C ATOM 1396 O SER A 94 7.729 -10.390 -6.007 1.00 0.00 O ATOM 1397 CB SER A 94 10.449 -11.765 -4.825 1.00 0.00 C ATOM 1398 OG SER A 94 11.754 -11.871 -5.389 1.00 0.00 O ATOM 0 H SER A 94 8.192 -10.192 -3.726 1.00 0.00 H new ATOM 0 HA SER A 94 10.721 -9.665 -5.098 1.00 0.00 H new ATOM 0 HB2 SER A 94 10.484 -12.050 -3.774 1.00 0.00 H new ATOM 0 HB3 SER A 94 9.780 -12.467 -5.323 1.00 0.00 H new ATOM 0 HG SER A 94 12.080 -12.790 -5.288 1.00 0.00 H new ATOM 1404 N PRO A 95 9.555 -10.024 -7.345 1.00 0.00 N ATOM 1405 CA PRO A 95 8.785 -9.913 -8.573 1.00 0.00 C ATOM 1406 C PRO A 95 8.308 -11.288 -9.046 1.00 0.00 C ATOM 1407 O PRO A 95 7.484 -11.383 -9.955 1.00 0.00 O ATOM 1408 CB PRO A 95 9.718 -9.234 -9.562 1.00 0.00 C ATOM 1409 CG PRO A 95 11.120 -9.410 -9.002 1.00 0.00 C ATOM 1410 CD PRO A 95 10.990 -9.860 -7.556 1.00 0.00 C ATOM 0 HA PRO A 95 7.871 -9.333 -8.447 1.00 0.00 H new ATOM 0 HB2 PRO A 95 9.633 -9.684 -10.551 1.00 0.00 H new ATOM 0 HB3 PRO A 95 9.471 -8.178 -9.670 1.00 0.00 H new ATOM 0 HG2 PRO A 95 11.674 -10.147 -9.583 1.00 0.00 H new ATOM 0 HG3 PRO A 95 11.676 -8.474 -9.062 1.00 0.00 H new ATOM 0 HD2 PRO A 95 11.525 -10.794 -7.383 1.00 0.00 H new ATOM 0 HD3 PRO A 95 11.409 -9.121 -6.872 1.00 0.00 H new ATOM 1418 N ASP A 96 8.846 -12.317 -8.410 1.00 0.00 N ATOM 1419 CA ASP A 96 8.486 -13.682 -8.755 1.00 0.00 C ATOM 1420 C ASP A 96 7.097 -13.995 -8.196 1.00 0.00 C ATOM 1421 O ASP A 96 6.228 -14.482 -8.918 1.00 0.00 O ATOM 1422 CB ASP A 96 9.475 -14.682 -8.152 1.00 0.00 C ATOM 1423 CG ASP A 96 9.873 -15.834 -9.076 1.00 0.00 C ATOM 1424 OD1 ASP A 96 9.052 -16.767 -9.206 1.00 0.00 O ATOM 1425 OD2 ASP A 96 10.991 -15.757 -9.630 1.00 0.00 O ATOM 0 H ASP A 96 9.529 -12.234 -7.657 1.00 0.00 H new ATOM 0 HA ASP A 96 8.501 -13.770 -9.841 1.00 0.00 H new ATOM 0 HB2 ASP A 96 10.376 -14.145 -7.856 1.00 0.00 H new ATOM 0 HB3 ASP A 96 9.039 -15.098 -7.244 1.00 0.00 H new ATOM 1430 N ALA A 97 6.930 -13.702 -6.915 1.00 0.00 N ATOM 1431 CA ALA A 97 5.661 -13.946 -6.250 1.00 0.00 C ATOM 1432 C ALA A 97 4.571 -13.103 -6.916 1.00 0.00 C ATOM 1433 O ALA A 97 4.620 -11.874 -6.873 1.00 0.00 O ATOM 1434 CB ALA A 97 5.800 -13.646 -4.757 1.00 0.00 C ATOM 0 H ALA A 97 7.653 -13.298 -6.319 1.00 0.00 H new ATOM 0 HA ALA A 97 5.373 -14.993 -6.346 1.00 0.00 H new ATOM 0 HB1 ALA A 97 4.848 -13.829 -4.259 1.00 0.00 H new ATOM 0 HB2 ALA A 97 6.565 -14.292 -4.326 1.00 0.00 H new ATOM 0 HB3 ALA A 97 6.086 -12.603 -4.621 1.00 0.00 H new ATOM 1440 N PHE A 98 3.614 -13.795 -7.514 1.00 0.00 N ATOM 1441 CA PHE A 98 2.514 -13.125 -8.188 1.00 0.00 C ATOM 1442 C PHE A 98 1.236 -13.192 -7.349 1.00 0.00 C ATOM 1443 O PHE A 98 0.942 -14.219 -6.741 1.00 0.00 O ATOM 1444 CB PHE A 98 2.283 -13.862 -9.508 1.00 0.00 C ATOM 1445 CG PHE A 98 3.569 -14.212 -10.259 1.00 0.00 C ATOM 1446 CD1 PHE A 98 4.270 -13.238 -10.899 1.00 0.00 C ATOM 1447 CD2 PHE A 98 4.012 -15.498 -10.287 1.00 0.00 C ATOM 1448 CE1 PHE A 98 5.464 -13.563 -11.596 1.00 0.00 C ATOM 1449 CE2 PHE A 98 5.206 -15.823 -10.983 1.00 0.00 C ATOM 1450 CZ PHE A 98 5.907 -14.848 -11.623 1.00 0.00 C ATOM 0 H PHE A 98 3.577 -14.814 -7.546 1.00 0.00 H new ATOM 0 HA PHE A 98 2.758 -12.075 -8.346 1.00 0.00 H new ATOM 0 HB2 PHE A 98 1.730 -14.780 -9.308 1.00 0.00 H new ATOM 0 HB3 PHE A 98 1.655 -13.246 -10.151 1.00 0.00 H new ATOM 0 HD1 PHE A 98 3.919 -12.217 -10.877 1.00 0.00 H new ATOM 0 HD2 PHE A 98 3.455 -16.272 -9.780 1.00 0.00 H new ATOM 0 HE1 PHE A 98 6.020 -12.789 -12.105 1.00 0.00 H new ATOM 0 HE2 PHE A 98 5.558 -16.844 -11.004 1.00 0.00 H new ATOM 0 HZ PHE A 98 6.815 -15.095 -12.152 1.00 0.00 H new ATOM 1460 N TYR A 99 0.511 -12.083 -7.345 1.00 0.00 N ATOM 1461 CA TYR A 99 -0.729 -12.003 -6.592 1.00 0.00 C ATOM 1462 C TYR A 99 -1.804 -11.256 -7.383 1.00 0.00 C ATOM 1463 O TYR A 99 -1.492 -10.376 -8.184 1.00 0.00 O ATOM 1464 CB TYR A 99 -0.402 -11.210 -5.325 1.00 0.00 C ATOM 1465 CG TYR A 99 0.424 -11.988 -4.299 1.00 0.00 C ATOM 1466 CD1 TYR A 99 -0.053 -13.178 -3.788 1.00 0.00 C ATOM 1467 CD2 TYR A 99 1.647 -11.501 -3.885 1.00 0.00 C ATOM 1468 CE1 TYR A 99 0.724 -13.911 -2.823 1.00 0.00 C ATOM 1469 CE2 TYR A 99 2.424 -12.233 -2.919 1.00 0.00 C ATOM 1470 CZ TYR A 99 1.925 -13.402 -2.436 1.00 0.00 C ATOM 1471 OH TYR A 99 2.659 -14.094 -1.524 1.00 0.00 O ATOM 0 H TYR A 99 0.759 -11.233 -7.851 1.00 0.00 H new ATOM 0 HA TYR A 99 -1.111 -13.001 -6.375 1.00 0.00 H new ATOM 0 HB2 TYR A 99 0.141 -10.307 -5.604 1.00 0.00 H new ATOM 0 HB3 TYR A 99 -1.334 -10.890 -4.859 1.00 0.00 H new ATOM 0 HD1 TYR A 99 -1.010 -13.560 -4.112 1.00 0.00 H new ATOM 0 HD2 TYR A 99 2.021 -10.571 -4.286 1.00 0.00 H new ATOM 0 HE1 TYR A 99 0.362 -14.843 -2.416 1.00 0.00 H new ATOM 0 HE2 TYR A 99 3.382 -11.862 -2.585 1.00 0.00 H new ATOM 0 HH TYR A 99 2.093 -14.767 -1.091 1.00 0.00 H new ATOM 1481 N TYR A 100 -3.049 -11.634 -7.132 1.00 0.00 N ATOM 1482 CA TYR A 100 -4.172 -11.011 -7.811 1.00 0.00 C ATOM 1483 C TYR A 100 -5.355 -10.826 -6.858 1.00 0.00 C ATOM 1484 O TYR A 100 -5.499 -11.570 -5.890 1.00 0.00 O ATOM 1485 CB TYR A 100 -4.578 -11.975 -8.927 1.00 0.00 C ATOM 1486 CG TYR A 100 -5.134 -13.309 -8.425 1.00 0.00 C ATOM 1487 CD1 TYR A 100 -6.459 -13.407 -8.051 1.00 0.00 C ATOM 1488 CD2 TYR A 100 -4.311 -14.414 -8.346 1.00 0.00 C ATOM 1489 CE1 TYR A 100 -6.983 -14.662 -7.579 1.00 0.00 C ATOM 1490 CE2 TYR A 100 -4.835 -15.669 -7.874 1.00 0.00 C ATOM 1491 CZ TYR A 100 -6.145 -15.732 -7.514 1.00 0.00 C ATOM 1492 OH TYR A 100 -6.640 -16.917 -7.068 1.00 0.00 O ATOM 0 H TYR A 100 -3.305 -12.364 -6.467 1.00 0.00 H new ATOM 0 HA TYR A 100 -3.894 -10.027 -8.189 1.00 0.00 H new ATOM 0 HB2 TYR A 100 -5.328 -11.493 -9.554 1.00 0.00 H new ATOM 0 HB3 TYR A 100 -3.711 -12.169 -9.559 1.00 0.00 H new ATOM 0 HD1 TYR A 100 -7.103 -12.542 -8.112 1.00 0.00 H new ATOM 0 HD2 TYR A 100 -3.274 -14.337 -8.638 1.00 0.00 H new ATOM 0 HE1 TYR A 100 -8.018 -14.752 -7.283 1.00 0.00 H new ATOM 0 HE2 TYR A 100 -4.202 -16.541 -7.807 1.00 0.00 H new ATOM 0 HH TYR A 100 -5.930 -17.592 -7.076 1.00 0.00 H new ATOM 1502 N PHE A 101 -6.172 -9.829 -7.167 1.00 0.00 N ATOM 1503 CA PHE A 101 -7.337 -9.537 -6.350 1.00 0.00 C ATOM 1504 C PHE A 101 -8.451 -10.556 -6.599 1.00 0.00 C ATOM 1505 O PHE A 101 -8.640 -11.012 -7.726 1.00 0.00 O ATOM 1506 CB PHE A 101 -7.833 -8.148 -6.759 1.00 0.00 C ATOM 1507 CG PHE A 101 -6.742 -7.076 -6.769 1.00 0.00 C ATOM 1508 CD1 PHE A 101 -6.065 -6.783 -5.626 1.00 0.00 C ATOM 1509 CD2 PHE A 101 -6.448 -6.416 -7.921 1.00 0.00 C ATOM 1510 CE1 PHE A 101 -5.052 -5.788 -5.636 1.00 0.00 C ATOM 1511 CE2 PHE A 101 -5.434 -5.421 -7.931 1.00 0.00 C ATOM 1512 CZ PHE A 101 -4.758 -5.128 -6.788 1.00 0.00 C ATOM 0 H PHE A 101 -6.050 -9.214 -7.971 1.00 0.00 H new ATOM 0 HA PHE A 101 -7.071 -9.580 -5.294 1.00 0.00 H new ATOM 0 HB2 PHE A 101 -8.276 -8.210 -7.753 1.00 0.00 H new ATOM 0 HB3 PHE A 101 -8.624 -7.840 -6.076 1.00 0.00 H new ATOM 0 HD1 PHE A 101 -6.298 -7.307 -4.711 1.00 0.00 H new ATOM 0 HD2 PHE A 101 -6.985 -6.648 -8.829 1.00 0.00 H new ATOM 0 HE1 PHE A 101 -4.515 -5.555 -4.728 1.00 0.00 H new ATOM 0 HE2 PHE A 101 -5.200 -4.897 -8.846 1.00 0.00 H new ATOM 0 HZ PHE A 101 -3.988 -4.371 -6.795 1.00 0.00 H new ATOM 1522 N PRO A 102 -9.178 -10.893 -5.500 1.00 0.00 N ATOM 1523 CA PRO A 102 -10.267 -11.850 -5.588 1.00 0.00 C ATOM 1524 C PRO A 102 -11.496 -11.224 -6.251 1.00 0.00 C ATOM 1525 O PRO A 102 -12.484 -10.928 -5.581 1.00 0.00 O ATOM 1526 CB PRO A 102 -10.524 -12.287 -4.155 1.00 0.00 C ATOM 1527 CG PRO A 102 -9.891 -11.222 -3.275 1.00 0.00 C ATOM 1528 CD PRO A 102 -8.982 -10.374 -4.150 1.00 0.00 C ATOM 0 HA PRO A 102 -10.023 -12.708 -6.215 1.00 0.00 H new ATOM 0 HB2 PRO A 102 -11.593 -12.372 -3.958 1.00 0.00 H new ATOM 0 HB3 PRO A 102 -10.085 -13.266 -3.960 1.00 0.00 H new ATOM 0 HG2 PRO A 102 -10.660 -10.604 -2.811 1.00 0.00 H new ATOM 0 HG3 PRO A 102 -9.322 -11.683 -2.467 1.00 0.00 H new ATOM 0 HD2 PRO A 102 -9.246 -9.318 -4.089 1.00 0.00 H new ATOM 0 HD3 PRO A 102 -7.941 -10.460 -3.840 1.00 0.00 H new ATOM 1536 N ASP A 103 -11.393 -11.039 -7.559 1.00 0.00 N ATOM 1537 CA ASP A 103 -12.483 -10.453 -8.320 1.00 0.00 C ATOM 1538 C ASP A 103 -11.959 -9.991 -9.681 1.00 0.00 C ATOM 1539 O ASP A 103 -12.649 -10.116 -10.691 1.00 0.00 O ATOM 1540 CB ASP A 103 -13.065 -9.235 -7.599 1.00 0.00 C ATOM 1541 CG ASP A 103 -14.454 -9.445 -6.994 1.00 0.00 C ATOM 1542 OD1 ASP A 103 -15.361 -9.816 -7.769 1.00 0.00 O ATOM 1543 OD2 ASP A 103 -14.578 -9.229 -5.769 1.00 0.00 O ATOM 0 H ASP A 103 -10.571 -11.285 -8.111 1.00 0.00 H new ATOM 0 HA ASP A 103 -13.259 -11.210 -8.435 1.00 0.00 H new ATOM 0 HB2 ASP A 103 -12.380 -8.940 -6.804 1.00 0.00 H new ATOM 0 HB3 ASP A 103 -13.113 -8.404 -8.303 1.00 0.00 H new ATOM 1548 N SER A 104 -10.742 -9.466 -9.664 1.00 0.00 N ATOM 1549 CA SER A 104 -10.117 -8.984 -10.884 1.00 0.00 C ATOM 1550 C SER A 104 -9.222 -10.073 -11.478 1.00 0.00 C ATOM 1551 O SER A 104 -9.145 -10.222 -12.696 1.00 0.00 O ATOM 1552 CB SER A 104 -9.306 -7.714 -10.623 1.00 0.00 C ATOM 1553 OG SER A 104 -10.016 -6.539 -11.006 1.00 0.00 O ATOM 0 H SER A 104 -10.172 -9.364 -8.824 1.00 0.00 H new ATOM 0 HA SER A 104 -10.904 -8.739 -11.598 1.00 0.00 H new ATOM 0 HB2 SER A 104 -9.054 -7.656 -9.564 1.00 0.00 H new ATOM 0 HB3 SER A 104 -8.366 -7.765 -11.172 1.00 0.00 H new ATOM 0 HG SER A 104 -9.438 -5.974 -11.560 1.00 0.00 H new