USER MOD reduce.3.24.130724 H: found=0, std=0, add=647, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 648 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 52 SER OG : rot 39:sc= -0.321 USER MOD Set 1.2: A 77 TYR OH : rot -37:sc= 1.37 USER MOD Set 2.1: A 35 ASN : amide:sc= -0.926 K(o=-1.7,f=0.84) USER MOD Set 2.2: A 38 ASN : amide:sc= -0.783 K(o=-1.7,f=-5.5!) USER MOD Single : A 15 SER OG : rot 180:sc= -0.463 USER MOD Single : A 17 TYR OH : rot 153:sc= -1.26! USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 THR OG1 : rot 144:sc= 0.0113 USER MOD Single : A 29 SER OG : rot 40:sc= 0.34 USER MOD Single : A 30 SER OG : rot 56:sc= 0.509 USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 47 THR OG1 : rot 180:sc= -0.926 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 GLN : amide:sc= -0.221 K(o=-0.22,f=-1.1) USER MOD Single : A 58 CYS SG : rot 180:sc= 0 USER MOD Single : A 61 CYS SG : rot -175:sc= -9.08! USER MOD Single : A 65 HIS : no HD1:sc= -4.55! C(o=-4.6!,f=-3.5!) USER MOD Single : A 68 THR OG1 : rot 180:sc= -0.954 USER MOD Single : A 69 TYR OH : rot 172:sc= 1.28 USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 MET CE :methyl -129:sc= 0 (180deg=-0.0492) USER MOD Single : A 76 ASN : amide:sc= -0.62 K(o=-0.62,f=-4!) USER MOD Single : A 82 LYS NZ :NH3+ 155:sc= 0.0179 (180deg=0) USER MOD Single : A 83 TYR OH : rot 116:sc= 0.781 USER MOD Single : A 87 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 88 HIS : no HD1:sc= -0.312 X(o=-0.31,f=-0.52) USER MOD Single : A 92 SER OG : rot 2:sc= 1.47 USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.00511) USER MOD Single : A 99 THR OG1 : rot 180:sc= -0.0667 USER MOD ----------------------------------------------------------------- ATOM 83 N ASP A 10 6.894 -17.125 0.947 1.00 0.00 N ATOM 84 CA ASP A 10 6.245 -17.298 2.242 1.00 0.00 C ATOM 85 C ASP A 10 5.499 -16.031 2.649 1.00 0.00 C ATOM 86 O ASP A 10 6.070 -15.103 3.224 1.00 0.00 O ATOM 87 CB ASP A 10 7.277 -17.663 3.309 1.00 0.00 C ATOM 88 CG ASP A 10 8.316 -18.642 2.799 1.00 0.00 C ATOM 89 OD1 ASP A 10 7.937 -19.778 2.444 1.00 0.00 O ATOM 90 OD2 ASP A 10 9.508 -18.272 2.755 1.00 0.00 O ATOM 0 HA ASP A 10 5.523 -18.110 2.154 1.00 0.00 H new ATOM 0 HB2 ASP A 10 7.775 -16.757 3.654 1.00 0.00 H new ATOM 0 HB3 ASP A 10 6.767 -18.095 4.171 1.00 0.00 H new ATOM 95 N PRO A 11 4.194 -15.988 2.344 1.00 0.00 N ATOM 96 CA PRO A 11 3.342 -14.840 2.669 1.00 0.00 C ATOM 97 C PRO A 11 3.097 -14.706 4.168 1.00 0.00 C ATOM 98 O PRO A 11 3.044 -13.598 4.702 1.00 0.00 O ATOM 99 CB PRO A 11 2.034 -15.151 1.939 1.00 0.00 C ATOM 100 CG PRO A 11 2.013 -16.635 1.813 1.00 0.00 C ATOM 101 CD PRO A 11 3.448 -17.057 1.660 1.00 0.00 C ATOM 0 HA PRO A 11 3.798 -13.896 2.370 1.00 0.00 H new ATOM 0 HB2 PRO A 11 1.172 -14.789 2.500 1.00 0.00 H new ATOM 0 HB3 PRO A 11 2.003 -14.670 0.961 1.00 0.00 H new ATOM 0 HG2 PRO A 11 1.562 -17.095 2.692 1.00 0.00 H new ATOM 0 HG3 PRO A 11 1.421 -16.945 0.952 1.00 0.00 H new ATOM 0 HD2 PRO A 11 3.631 -18.030 2.116 1.00 0.00 H new ATOM 0 HD3 PRO A 11 3.733 -17.138 0.611 1.00 0.00 H new ATOM 109 N GLY A 12 2.948 -15.842 4.843 1.00 0.00 N ATOM 110 CA GLY A 12 2.711 -15.829 6.275 1.00 0.00 C ATOM 111 C GLY A 12 3.747 -15.018 7.027 1.00 0.00 C ATOM 112 O GLY A 12 3.473 -14.496 8.108 1.00 0.00 O ATOM 0 H GLY A 12 2.987 -16.771 4.424 1.00 0.00 H new ATOM 0 HA2 GLY A 12 1.720 -15.420 6.472 1.00 0.00 H new ATOM 0 HA3 GLY A 12 2.713 -16.853 6.650 1.00 0.00 H new ATOM 116 N LEU A 13 4.942 -14.913 6.456 1.00 0.00 N ATOM 117 CA LEU A 13 6.025 -14.161 7.081 1.00 0.00 C ATOM 118 C LEU A 13 6.165 -12.780 6.447 1.00 0.00 C ATOM 119 O LEU A 13 7.236 -12.174 6.486 1.00 0.00 O ATOM 120 CB LEU A 13 7.342 -14.928 6.957 1.00 0.00 C ATOM 121 CG LEU A 13 7.300 -16.404 7.353 1.00 0.00 C ATOM 122 CD1 LEU A 13 8.686 -17.022 7.260 1.00 0.00 C ATOM 123 CD2 LEU A 13 6.737 -16.563 8.758 1.00 0.00 C ATOM 0 H LEU A 13 5.186 -15.339 5.562 1.00 0.00 H new ATOM 0 HA LEU A 13 5.784 -14.033 8.136 1.00 0.00 H new ATOM 0 HB2 LEU A 13 7.683 -14.859 5.924 1.00 0.00 H new ATOM 0 HB3 LEU A 13 8.089 -14.428 7.573 1.00 0.00 H new ATOM 0 HG LEU A 13 6.644 -16.928 6.658 1.00 0.00 H new ATOM 0 HD11 LEU A 13 8.636 -18.073 7.546 1.00 0.00 H new ATOM 0 HD12 LEU A 13 9.052 -16.941 6.237 1.00 0.00 H new ATOM 0 HD13 LEU A 13 9.365 -16.496 7.931 1.00 0.00 H new ATOM 0 HD21 LEU A 13 6.714 -17.620 9.023 1.00 0.00 H new ATOM 0 HD22 LEU A 13 7.367 -16.025 9.466 1.00 0.00 H new ATOM 0 HD23 LEU A 13 5.725 -16.158 8.793 1.00 0.00 H new ATOM 135 N VAL A 14 5.076 -12.288 5.865 1.00 0.00 N ATOM 136 CA VAL A 14 5.076 -10.978 5.226 1.00 0.00 C ATOM 137 C VAL A 14 3.904 -10.131 5.708 1.00 0.00 C ATOM 138 O VAL A 14 2.750 -10.553 5.637 1.00 0.00 O ATOM 139 CB VAL A 14 5.010 -11.101 3.693 1.00 0.00 C ATOM 140 CG1 VAL A 14 4.821 -9.734 3.054 1.00 0.00 C ATOM 141 CG2 VAL A 14 6.263 -11.779 3.159 1.00 0.00 C ATOM 0 H VAL A 14 4.182 -12.777 5.823 1.00 0.00 H new ATOM 0 HA VAL A 14 6.011 -10.491 5.504 1.00 0.00 H new ATOM 0 HB VAL A 14 4.150 -11.719 3.433 1.00 0.00 H new ATOM 0 HG11 VAL A 14 4.777 -9.842 1.970 1.00 0.00 H new ATOM 0 HG12 VAL A 14 3.892 -9.290 3.413 1.00 0.00 H new ATOM 0 HG13 VAL A 14 5.658 -9.089 3.320 1.00 0.00 H new ATOM 0 HG21 VAL A 14 6.200 -11.858 2.074 1.00 0.00 H new ATOM 0 HG22 VAL A 14 7.139 -11.190 3.429 1.00 0.00 H new ATOM 0 HG23 VAL A 14 6.349 -12.776 3.591 1.00 0.00 H new ATOM 151 N SER A 15 4.208 -8.934 6.198 1.00 0.00 N ATOM 152 CA SER A 15 3.179 -8.028 6.696 1.00 0.00 C ATOM 153 C SER A 15 3.526 -6.579 6.368 1.00 0.00 C ATOM 154 O SER A 15 4.641 -6.277 5.944 1.00 0.00 O ATOM 155 CB SER A 15 3.010 -8.194 8.207 1.00 0.00 C ATOM 156 OG SER A 15 2.327 -9.397 8.515 1.00 0.00 O ATOM 0 H SER A 15 5.158 -8.569 6.261 1.00 0.00 H new ATOM 0 HA SER A 15 2.240 -8.279 6.203 1.00 0.00 H new ATOM 0 HB2 SER A 15 3.988 -8.194 8.688 1.00 0.00 H new ATOM 0 HB3 SER A 15 2.457 -7.345 8.610 1.00 0.00 H new ATOM 0 HG SER A 15 2.233 -9.480 9.487 1.00 0.00 H new ATOM 162 N ALA A 16 2.562 -5.686 6.567 1.00 0.00 N ATOM 163 CA ALA A 16 2.765 -4.269 6.294 1.00 0.00 C ATOM 164 C ALA A 16 2.378 -3.417 7.499 1.00 0.00 C ATOM 165 O ALA A 16 1.361 -3.666 8.146 1.00 0.00 O ATOM 166 CB ALA A 16 1.966 -3.847 5.070 1.00 0.00 C ATOM 0 H ALA A 16 1.633 -5.919 6.916 1.00 0.00 H new ATOM 0 HA ALA A 16 3.825 -4.111 6.095 1.00 0.00 H new ATOM 0 HB1 ALA A 16 2.127 -2.786 4.878 1.00 0.00 H new ATOM 0 HB2 ALA A 16 2.292 -4.426 4.206 1.00 0.00 H new ATOM 0 HB3 ALA A 16 0.906 -4.026 5.248 1.00 0.00 H new ATOM 172 N TYR A 17 3.196 -2.414 7.795 1.00 0.00 N ATOM 173 CA TYR A 17 2.942 -1.527 8.924 1.00 0.00 C ATOM 174 C TYR A 17 3.174 -0.070 8.537 1.00 0.00 C ATOM 175 O TYR A 17 4.157 0.258 7.874 1.00 0.00 O ATOM 176 CB TYR A 17 3.838 -1.902 10.106 1.00 0.00 C ATOM 177 CG TYR A 17 5.315 -1.849 9.787 1.00 0.00 C ATOM 178 CD1 TYR A 17 5.988 -0.636 9.720 1.00 0.00 C ATOM 179 CD2 TYR A 17 6.037 -3.013 9.551 1.00 0.00 C ATOM 180 CE1 TYR A 17 7.337 -0.582 9.427 1.00 0.00 C ATOM 181 CE2 TYR A 17 7.386 -2.969 9.259 1.00 0.00 C ATOM 182 CZ TYR A 17 8.032 -1.752 9.199 1.00 0.00 C ATOM 183 OH TYR A 17 9.376 -1.704 8.907 1.00 0.00 O ATOM 0 H TYR A 17 4.042 -2.194 7.268 1.00 0.00 H new ATOM 0 HA TYR A 17 1.898 -1.643 9.216 1.00 0.00 H new ATOM 0 HB2 TYR A 17 3.630 -1.228 10.937 1.00 0.00 H new ATOM 0 HB3 TYR A 17 3.583 -2.908 10.440 1.00 0.00 H new ATOM 0 HD1 TYR A 17 5.447 0.281 9.900 1.00 0.00 H new ATOM 0 HD2 TYR A 17 5.535 -3.968 9.597 1.00 0.00 H new ATOM 0 HE1 TYR A 17 7.844 0.370 9.377 1.00 0.00 H new ATOM 0 HE2 TYR A 17 7.932 -3.883 9.079 1.00 0.00 H new ATOM 0 HH TYR A 17 9.802 -2.541 9.187 1.00 0.00 H new ATOM 193 N GLY A 18 2.262 0.800 8.957 1.00 0.00 N ATOM 194 CA GLY A 18 2.385 2.212 8.646 1.00 0.00 C ATOM 195 C GLY A 18 1.056 2.938 8.711 1.00 0.00 C ATOM 196 O GLY A 18 -0.011 2.324 8.748 1.00 0.00 O ATOM 0 H GLY A 18 1.440 0.553 9.507 1.00 0.00 H new ATOM 0 HA2 GLY A 18 3.083 2.675 9.344 1.00 0.00 H new ATOM 0 HA3 GLY A 18 2.809 2.326 7.648 1.00 0.00 H new ATOM 200 N PRO A 19 1.109 4.278 8.727 1.00 0.00 N ATOM 201 CA PRO A 19 -0.091 5.118 8.790 1.00 0.00 C ATOM 202 C PRO A 19 -0.901 5.069 7.499 1.00 0.00 C ATOM 203 O PRO A 19 -2.109 5.304 7.503 1.00 0.00 O ATOM 204 CB PRO A 19 0.471 6.524 9.015 1.00 0.00 C ATOM 205 CG PRO A 19 1.848 6.477 8.449 1.00 0.00 C ATOM 206 CD PRO A 19 2.345 5.077 8.686 1.00 0.00 C ATOM 0 HA PRO A 19 -0.778 4.789 9.570 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -0.137 7.278 8.515 1.00 0.00 H new ATOM 0 HB3 PRO A 19 0.487 6.779 10.075 1.00 0.00 H new ATOM 0 HG2 PRO A 19 1.841 6.714 7.385 1.00 0.00 H new ATOM 0 HG3 PRO A 19 2.495 7.208 8.934 1.00 0.00 H new ATOM 0 HD2 PRO A 19 3.011 4.747 7.889 1.00 0.00 H new ATOM 0 HD3 PRO A 19 2.903 5.001 9.619 1.00 0.00 H new ATOM 214 N GLY A 20 -0.228 4.760 6.395 1.00 0.00 N ATOM 215 CA GLY A 20 -0.902 4.685 5.112 1.00 0.00 C ATOM 216 C GLY A 20 -1.904 3.550 5.049 1.00 0.00 C ATOM 217 O GLY A 20 -2.985 3.696 4.476 1.00 0.00 O ATOM 0 H GLY A 20 0.772 4.560 6.366 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -1.413 5.628 4.918 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -0.161 4.556 4.323 1.00 0.00 H new ATOM 221 N LEU A 21 -1.546 2.413 5.637 1.00 0.00 N ATOM 222 CA LEU A 21 -2.421 1.247 5.644 1.00 0.00 C ATOM 223 C LEU A 21 -3.625 1.475 6.552 1.00 0.00 C ATOM 224 O LEU A 21 -4.740 1.061 6.236 1.00 0.00 O ATOM 225 CB LEU A 21 -1.649 0.008 6.103 1.00 0.00 C ATOM 226 CG LEU A 21 -0.336 -0.273 5.372 1.00 0.00 C ATOM 227 CD1 LEU A 21 0.623 -1.036 6.272 1.00 0.00 C ATOM 228 CD2 LEU A 21 -0.595 -1.047 4.088 1.00 0.00 C ATOM 0 H LEU A 21 -0.656 2.275 6.115 1.00 0.00 H new ATOM 0 HA LEU A 21 -2.781 1.088 4.628 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -1.435 0.111 7.167 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -2.297 -0.861 5.992 1.00 0.00 H new ATOM 0 HG LEU A 21 0.123 0.680 5.111 1.00 0.00 H new ATOM 0 HD11 LEU A 21 1.552 -1.227 5.735 1.00 0.00 H new ATOM 0 HD12 LEU A 21 0.834 -0.445 7.163 1.00 0.00 H new ATOM 0 HD13 LEU A 21 0.171 -1.984 6.564 1.00 0.00 H new ATOM 0 HD21 LEU A 21 0.351 -1.238 3.581 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -1.077 -1.995 4.326 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -1.245 -0.463 3.436 1.00 0.00 H new ATOM 240 N GLU A 22 -3.392 2.137 7.681 1.00 0.00 N ATOM 241 CA GLU A 22 -4.458 2.421 8.634 1.00 0.00 C ATOM 242 C GLU A 22 -5.231 3.673 8.228 1.00 0.00 C ATOM 243 O GLU A 22 -6.396 3.839 8.585 1.00 0.00 O ATOM 244 CB GLU A 22 -3.882 2.597 10.040 1.00 0.00 C ATOM 245 CG GLU A 22 -3.757 1.295 10.814 1.00 0.00 C ATOM 246 CD GLU A 22 -3.789 1.504 12.316 1.00 0.00 C ATOM 247 OE1 GLU A 22 -2.994 2.324 12.818 1.00 0.00 O ATOM 248 OE2 GLU A 22 -4.611 0.846 12.988 1.00 0.00 O ATOM 0 H GLU A 22 -2.475 2.487 7.958 1.00 0.00 H new ATOM 0 HA GLU A 22 -5.145 1.575 8.635 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -2.899 3.061 9.965 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -4.517 3.283 10.600 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -4.568 0.626 10.527 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -2.825 0.801 10.539 1.00 0.00 H new ATOM 255 N GLY A 23 -4.571 4.552 7.480 1.00 0.00 N ATOM 256 CA GLY A 23 -5.210 5.778 7.039 1.00 0.00 C ATOM 257 C GLY A 23 -4.579 7.014 7.650 1.00 0.00 C ATOM 258 O GLY A 23 -3.683 6.912 8.486 1.00 0.00 O ATOM 0 H GLY A 23 -3.606 4.437 7.172 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -5.152 5.844 5.953 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -6.268 5.747 7.300 1.00 0.00 H new ATOM 262 N GLY A 24 -5.046 8.185 7.229 1.00 0.00 N ATOM 263 CA GLY A 24 -4.508 9.429 7.749 1.00 0.00 C ATOM 264 C GLY A 24 -5.394 10.618 7.438 1.00 0.00 C ATOM 265 O GLY A 24 -6.534 10.693 7.900 1.00 0.00 O ATOM 0 H GLY A 24 -5.787 8.295 6.537 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -4.384 9.345 8.829 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -3.517 9.598 7.327 1.00 0.00 H new ATOM 269 N THR A 25 -4.871 11.555 6.653 1.00 0.00 N ATOM 270 CA THR A 25 -5.620 12.749 6.283 1.00 0.00 C ATOM 271 C THR A 25 -5.577 12.981 4.777 1.00 0.00 C ATOM 272 O THR A 25 -4.623 12.586 4.104 1.00 0.00 O ATOM 273 CB THR A 25 -5.075 13.999 6.999 1.00 0.00 C ATOM 274 OG1 THR A 25 -5.477 13.991 8.373 1.00 0.00 O ATOM 275 CG2 THR A 25 -5.574 15.269 6.326 1.00 0.00 C ATOM 0 H THR A 25 -3.930 11.509 6.261 1.00 0.00 H new ATOM 0 HA THR A 25 -6.652 12.583 6.593 1.00 0.00 H new ATOM 0 HB THR A 25 -3.987 13.979 6.940 1.00 0.00 H new ATOM 0 HG1 THR A 25 -5.125 14.788 8.821 1.00 0.00 H new ATOM 0 HG21 THR A 25 -5.176 16.138 6.849 1.00 0.00 H new ATOM 0 HG22 THR A 25 -5.241 15.286 5.288 1.00 0.00 H new ATOM 0 HG23 THR A 25 -6.663 15.294 6.358 1.00 0.00 H new ATOM 283 N THR A 26 -6.615 13.624 4.251 1.00 0.00 N ATOM 284 CA THR A 26 -6.695 13.907 2.824 1.00 0.00 C ATOM 285 C THR A 26 -5.626 14.908 2.401 1.00 0.00 C ATOM 286 O THR A 26 -5.280 15.817 3.154 1.00 0.00 O ATOM 287 CB THR A 26 -8.081 14.460 2.439 1.00 0.00 C ATOM 288 OG1 THR A 26 -8.498 15.445 3.391 1.00 0.00 O ATOM 289 CG2 THR A 26 -9.110 13.342 2.373 1.00 0.00 C ATOM 0 H THR A 26 -7.412 13.959 4.793 1.00 0.00 H new ATOM 0 HA THR A 26 -6.530 12.963 2.304 1.00 0.00 H new ATOM 0 HB THR A 26 -8.004 14.919 1.454 1.00 0.00 H new ATOM 0 HG1 THR A 26 -8.996 16.153 2.932 1.00 0.00 H new ATOM 0 HG21 THR A 26 -10.080 13.756 2.100 1.00 0.00 H new ATOM 0 HG22 THR A 26 -8.804 12.610 1.626 1.00 0.00 H new ATOM 0 HG23 THR A 26 -9.184 12.857 3.347 1.00 0.00 H new ATOM 297 N GLY A 27 -5.105 14.735 1.190 1.00 0.00 N ATOM 298 CA GLY A 27 -4.080 15.631 0.688 1.00 0.00 C ATOM 299 C GLY A 27 -2.778 15.511 1.456 1.00 0.00 C ATOM 300 O GLY A 27 -1.953 16.425 1.440 1.00 0.00 O ATOM 0 H GLY A 27 -5.375 13.990 0.548 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -3.898 15.416 -0.365 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -4.439 16.658 0.747 1.00 0.00 H new ATOM 304 N VAL A 28 -2.594 14.382 2.132 1.00 0.00 N ATOM 305 CA VAL A 28 -1.383 14.146 2.910 1.00 0.00 C ATOM 306 C VAL A 28 -0.679 12.872 2.457 1.00 0.00 C ATOM 307 O VAL A 28 -1.208 11.770 2.609 1.00 0.00 O ATOM 308 CB VAL A 28 -1.695 14.040 4.415 1.00 0.00 C ATOM 309 CG1 VAL A 28 -0.466 13.579 5.183 1.00 0.00 C ATOM 310 CG2 VAL A 28 -2.199 15.372 4.949 1.00 0.00 C ATOM 0 H VAL A 28 -3.267 13.616 2.157 1.00 0.00 H new ATOM 0 HA VAL A 28 -0.727 15.000 2.742 1.00 0.00 H new ATOM 0 HB VAL A 28 -2.481 13.298 4.555 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -0.705 13.510 6.244 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -0.154 12.601 4.817 1.00 0.00 H new ATOM 0 HG13 VAL A 28 0.343 14.295 5.039 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -2.415 15.279 6.013 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -1.437 16.136 4.798 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -3.108 15.656 4.418 1.00 0.00 H new ATOM 320 N SER A 29 0.518 13.029 1.901 1.00 0.00 N ATOM 321 CA SER A 29 1.294 11.892 1.423 1.00 0.00 C ATOM 322 C SER A 29 1.389 10.809 2.494 1.00 0.00 C ATOM 323 O SER A 29 2.023 11.001 3.532 1.00 0.00 O ATOM 324 CB SER A 29 2.697 12.342 1.011 1.00 0.00 C ATOM 325 OG SER A 29 3.323 13.075 2.050 1.00 0.00 O ATOM 0 H SER A 29 0.971 13.933 1.771 1.00 0.00 H new ATOM 0 HA SER A 29 0.784 11.475 0.554 1.00 0.00 H new ATOM 0 HB2 SER A 29 3.303 11.471 0.760 1.00 0.00 H new ATOM 0 HB3 SER A 29 2.636 12.957 0.113 1.00 0.00 H new ATOM 0 HG SER A 29 3.120 12.658 2.913 1.00 0.00 H new ATOM 331 N SER A 30 0.753 9.672 2.235 1.00 0.00 N ATOM 332 CA SER A 30 0.761 8.559 3.178 1.00 0.00 C ATOM 333 C SER A 30 1.494 7.356 2.592 1.00 0.00 C ATOM 334 O SER A 30 1.250 6.963 1.452 1.00 0.00 O ATOM 335 CB SER A 30 -0.670 8.168 3.550 1.00 0.00 C ATOM 336 OG SER A 30 -1.346 9.243 4.178 1.00 0.00 O ATOM 0 H SER A 30 0.225 9.496 1.380 1.00 0.00 H new ATOM 0 HA SER A 30 1.287 8.880 4.077 1.00 0.00 H new ATOM 0 HB2 SER A 30 -1.213 7.867 2.654 1.00 0.00 H new ATOM 0 HB3 SER A 30 -0.653 7.306 4.217 1.00 0.00 H new ATOM 0 HG SER A 30 -1.323 10.030 3.594 1.00 0.00 H new ATOM 342 N GLU A 31 2.392 6.776 3.381 1.00 0.00 N ATOM 343 CA GLU A 31 3.161 5.618 2.941 1.00 0.00 C ATOM 344 C GLU A 31 3.114 4.505 3.984 1.00 0.00 C ATOM 345 O GLU A 31 2.510 4.658 5.045 1.00 0.00 O ATOM 346 CB GLU A 31 4.613 6.016 2.668 1.00 0.00 C ATOM 347 CG GLU A 31 5.283 6.716 3.839 1.00 0.00 C ATOM 348 CD GLU A 31 6.762 6.957 3.606 1.00 0.00 C ATOM 349 OE1 GLU A 31 7.534 5.975 3.639 1.00 0.00 O ATOM 350 OE2 GLU A 31 7.147 8.125 3.392 1.00 0.00 O ATOM 0 H GLU A 31 2.605 7.089 4.328 1.00 0.00 H new ATOM 0 HA GLU A 31 2.714 5.247 2.019 1.00 0.00 H new ATOM 0 HB2 GLU A 31 5.184 5.123 2.414 1.00 0.00 H new ATOM 0 HB3 GLU A 31 4.644 6.672 1.798 1.00 0.00 H new ATOM 0 HG2 GLU A 31 4.787 7.670 4.019 1.00 0.00 H new ATOM 0 HG3 GLU A 31 5.154 6.115 4.739 1.00 0.00 H new ATOM 357 N PHE A 32 3.757 3.384 3.673 1.00 0.00 N ATOM 358 CA PHE A 32 3.788 2.244 4.582 1.00 0.00 C ATOM 359 C PHE A 32 4.917 1.285 4.214 1.00 0.00 C ATOM 360 O PHE A 32 5.265 1.141 3.041 1.00 0.00 O ATOM 361 CB PHE A 32 2.448 1.506 4.554 1.00 0.00 C ATOM 362 CG PHE A 32 2.016 1.100 3.174 1.00 0.00 C ATOM 363 CD1 PHE A 32 2.526 -0.044 2.582 1.00 0.00 C ATOM 364 CD2 PHE A 32 1.099 1.862 2.469 1.00 0.00 C ATOM 365 CE1 PHE A 32 2.130 -0.421 1.313 1.00 0.00 C ATOM 366 CE2 PHE A 32 0.699 1.490 1.199 1.00 0.00 C ATOM 367 CZ PHE A 32 1.216 0.348 0.620 1.00 0.00 C ATOM 0 H PHE A 32 4.263 3.241 2.799 1.00 0.00 H new ATOM 0 HA PHE A 32 3.968 2.619 5.589 1.00 0.00 H new ATOM 0 HB2 PHE A 32 2.519 0.617 5.180 1.00 0.00 H new ATOM 0 HB3 PHE A 32 1.681 2.145 4.993 1.00 0.00 H new ATOM 0 HD1 PHE A 32 3.242 -0.649 3.119 1.00 0.00 H new ATOM 0 HD2 PHE A 32 0.692 2.757 2.916 1.00 0.00 H new ATOM 0 HE1 PHE A 32 2.535 -1.316 0.864 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -0.017 2.092 0.660 1.00 0.00 H new ATOM 0 HZ PHE A 32 0.906 0.057 -0.373 1.00 0.00 H new ATOM 377 N ILE A 33 5.484 0.634 5.223 1.00 0.00 N ATOM 378 CA ILE A 33 6.573 -0.311 5.006 1.00 0.00 C ATOM 379 C ILE A 33 6.066 -1.749 5.027 1.00 0.00 C ATOM 380 O ILE A 33 5.209 -2.105 5.836 1.00 0.00 O ATOM 381 CB ILE A 33 7.676 -0.152 6.069 1.00 0.00 C ATOM 382 CG1 ILE A 33 8.476 1.128 5.818 1.00 0.00 C ATOM 383 CG2 ILE A 33 8.594 -1.366 6.065 1.00 0.00 C ATOM 384 CD1 ILE A 33 9.709 1.250 6.686 1.00 0.00 C ATOM 0 H ILE A 33 5.208 0.743 6.199 1.00 0.00 H new ATOM 0 HA ILE A 33 6.991 -0.090 4.024 1.00 0.00 H new ATOM 0 HB ILE A 33 7.207 -0.078 7.050 1.00 0.00 H new ATOM 0 HG12 ILE A 33 8.775 1.161 4.770 1.00 0.00 H new ATOM 0 HG13 ILE A 33 7.832 1.990 5.993 1.00 0.00 H new ATOM 0 HG21 ILE A 33 9.368 -1.239 6.821 1.00 0.00 H new ATOM 0 HG22 ILE A 33 8.014 -2.262 6.287 1.00 0.00 H new ATOM 0 HG23 ILE A 33 9.058 -1.468 5.084 1.00 0.00 H new ATOM 0 HD11 ILE A 33 10.227 2.181 6.454 1.00 0.00 H new ATOM 0 HD12 ILE A 33 9.416 1.250 7.736 1.00 0.00 H new ATOM 0 HD13 ILE A 33 10.374 0.408 6.494 1.00 0.00 H new ATOM 396 N VAL A 34 6.601 -2.573 4.132 1.00 0.00 N ATOM 397 CA VAL A 34 6.205 -3.973 4.049 1.00 0.00 C ATOM 398 C VAL A 34 7.344 -4.893 4.476 1.00 0.00 C ATOM 399 O VAL A 34 8.289 -5.119 3.722 1.00 0.00 O ATOM 400 CB VAL A 34 5.766 -4.349 2.621 1.00 0.00 C ATOM 401 CG1 VAL A 34 5.354 -5.812 2.556 1.00 0.00 C ATOM 402 CG2 VAL A 34 4.632 -3.446 2.158 1.00 0.00 C ATOM 0 H VAL A 34 7.310 -2.295 3.454 1.00 0.00 H new ATOM 0 HA VAL A 34 5.362 -4.103 4.727 1.00 0.00 H new ATOM 0 HB VAL A 34 6.612 -4.205 1.949 1.00 0.00 H new ATOM 0 HG11 VAL A 34 5.047 -6.059 1.540 1.00 0.00 H new ATOM 0 HG12 VAL A 34 6.197 -6.440 2.843 1.00 0.00 H new ATOM 0 HG13 VAL A 34 4.522 -5.986 3.239 1.00 0.00 H new ATOM 0 HG21 VAL A 34 4.334 -3.725 1.147 1.00 0.00 H new ATOM 0 HG22 VAL A 34 3.781 -3.556 2.831 1.00 0.00 H new ATOM 0 HG23 VAL A 34 4.967 -2.409 2.164 1.00 0.00 H new ATOM 412 N ASN A 35 7.246 -5.420 5.692 1.00 0.00 N ATOM 413 CA ASN A 35 8.269 -6.316 6.221 1.00 0.00 C ATOM 414 C ASN A 35 8.239 -7.660 5.501 1.00 0.00 C ATOM 415 O ASN A 35 7.436 -8.535 5.827 1.00 0.00 O ATOM 416 CB ASN A 35 8.066 -6.524 7.723 1.00 0.00 C ATOM 417 CG ASN A 35 8.610 -7.857 8.200 1.00 0.00 C ATOM 418 OD1 ASN A 35 7.871 -8.690 8.726 1.00 0.00 O ATOM 419 ND2 ASN A 35 9.909 -8.065 8.019 1.00 0.00 N ATOM 0 H ASN A 35 6.470 -5.243 6.329 1.00 0.00 H new ATOM 0 HA ASN A 35 9.243 -5.856 6.053 1.00 0.00 H new ATOM 0 HB2 ASN A 35 8.557 -5.718 8.268 1.00 0.00 H new ATOM 0 HB3 ASN A 35 7.003 -6.464 7.955 1.00 0.00 H new ATOM 0 HD21 ASN A 35 10.332 -8.943 8.320 1.00 0.00 H new ATOM 0 HD22 ASN A 35 10.484 -7.347 7.579 1.00 0.00 H new ATOM 426 N THR A 36 9.122 -7.819 4.519 1.00 0.00 N ATOM 427 CA THR A 36 9.197 -9.056 3.752 1.00 0.00 C ATOM 428 C THR A 36 10.479 -9.820 4.066 1.00 0.00 C ATOM 429 O THR A 36 10.616 -10.993 3.716 1.00 0.00 O ATOM 430 CB THR A 36 9.133 -8.783 2.238 1.00 0.00 C ATOM 431 OG1 THR A 36 10.329 -8.123 1.808 1.00 0.00 O ATOM 432 CG2 THR A 36 7.924 -7.927 1.893 1.00 0.00 C ATOM 0 H THR A 36 9.795 -7.106 4.237 1.00 0.00 H new ATOM 0 HA THR A 36 8.337 -9.660 4.041 1.00 0.00 H new ATOM 0 HB THR A 36 9.041 -9.739 1.723 1.00 0.00 H new ATOM 0 HG1 THR A 36 10.281 -7.955 0.844 1.00 0.00 H new ATOM 0 HG21 THR A 36 7.900 -7.747 0.818 1.00 0.00 H new ATOM 0 HG22 THR A 36 7.014 -8.445 2.195 1.00 0.00 H new ATOM 0 HG23 THR A 36 7.991 -6.974 2.419 1.00 0.00 H new ATOM 440 N LEU A 37 11.415 -9.149 4.727 1.00 0.00 N ATOM 441 CA LEU A 37 12.687 -9.765 5.089 1.00 0.00 C ATOM 442 C LEU A 37 12.469 -11.149 5.692 1.00 0.00 C ATOM 443 O LEU A 37 13.126 -12.115 5.306 1.00 0.00 O ATOM 444 CB LEU A 37 13.443 -8.878 6.079 1.00 0.00 C ATOM 445 CG LEU A 37 13.670 -7.429 5.645 1.00 0.00 C ATOM 446 CD1 LEU A 37 13.739 -6.513 6.857 1.00 0.00 C ATOM 447 CD2 LEU A 37 14.939 -7.314 4.813 1.00 0.00 C ATOM 0 H LEU A 37 11.317 -8.178 5.024 1.00 0.00 H new ATOM 0 HA LEU A 37 13.281 -9.873 4.182 1.00 0.00 H new ATOM 0 HB2 LEU A 37 12.896 -8.872 7.022 1.00 0.00 H new ATOM 0 HB3 LEU A 37 14.413 -9.333 6.276 1.00 0.00 H new ATOM 0 HG LEU A 37 12.826 -7.118 5.029 1.00 0.00 H new ATOM 0 HD11 LEU A 37 13.901 -5.486 6.528 1.00 0.00 H new ATOM 0 HD12 LEU A 37 12.803 -6.573 7.412 1.00 0.00 H new ATOM 0 HD13 LEU A 37 14.563 -6.822 7.500 1.00 0.00 H new ATOM 0 HD21 LEU A 37 15.085 -6.276 4.513 1.00 0.00 H new ATOM 0 HD22 LEU A 37 15.793 -7.644 5.404 1.00 0.00 H new ATOM 0 HD23 LEU A 37 14.850 -7.939 3.925 1.00 0.00 H new ATOM 459 N ASN A 38 11.542 -11.237 6.640 1.00 0.00 N ATOM 460 CA ASN A 38 11.236 -12.503 7.295 1.00 0.00 C ATOM 461 C ASN A 38 10.877 -13.574 6.270 1.00 0.00 C ATOM 462 O ASN A 38 11.108 -14.762 6.491 1.00 0.00 O ATOM 463 CB ASN A 38 10.083 -12.323 8.285 1.00 0.00 C ATOM 464 CG ASN A 38 10.382 -11.270 9.335 1.00 0.00 C ATOM 465 OD1 ASN A 38 9.569 -10.379 9.585 1.00 0.00 O ATOM 466 ND2 ASN A 38 11.552 -11.367 9.955 1.00 0.00 N ATOM 0 H ASN A 38 10.990 -10.446 6.972 1.00 0.00 H new ATOM 0 HA ASN A 38 12.125 -12.827 7.836 1.00 0.00 H new ATOM 0 HB2 ASN A 38 9.181 -12.044 7.741 1.00 0.00 H new ATOM 0 HB3 ASN A 38 9.878 -13.274 8.776 1.00 0.00 H new ATOM 0 HD21 ASN A 38 11.808 -10.687 10.671 1.00 0.00 H new ATOM 0 HD22 ASN A 38 12.195 -12.122 9.716 1.00 0.00 H new ATOM 473 N ALA A 39 10.312 -13.144 5.146 1.00 0.00 N ATOM 474 CA ALA A 39 9.924 -14.065 4.085 1.00 0.00 C ATOM 475 C ALA A 39 11.146 -14.734 3.465 1.00 0.00 C ATOM 476 O ALA A 39 11.245 -15.960 3.432 1.00 0.00 O ATOM 477 CB ALA A 39 9.122 -13.334 3.019 1.00 0.00 C ATOM 0 H ALA A 39 10.113 -12.164 4.947 1.00 0.00 H new ATOM 0 HA ALA A 39 9.300 -14.843 4.523 1.00 0.00 H new ATOM 0 HB1 ALA A 39 8.839 -14.034 2.233 1.00 0.00 H new ATOM 0 HB2 ALA A 39 8.224 -12.909 3.467 1.00 0.00 H new ATOM 0 HB3 ALA A 39 9.728 -12.535 2.592 1.00 0.00 H new ATOM 483 N GLY A 40 12.075 -13.920 2.973 1.00 0.00 N ATOM 484 CA GLY A 40 13.278 -14.452 2.359 1.00 0.00 C ATOM 485 C GLY A 40 13.466 -13.967 0.935 1.00 0.00 C ATOM 486 O GLY A 40 14.520 -13.435 0.587 1.00 0.00 O ATOM 0 H GLY A 40 12.016 -12.902 2.989 1.00 0.00 H new ATOM 0 HA2 GLY A 40 14.144 -14.164 2.955 1.00 0.00 H new ATOM 0 HA3 GLY A 40 13.234 -15.541 2.366 1.00 0.00 H new ATOM 490 N SER A 41 12.441 -14.151 0.109 1.00 0.00 N ATOM 491 CA SER A 41 12.500 -13.734 -1.287 1.00 0.00 C ATOM 492 C SER A 41 11.147 -13.918 -1.967 1.00 0.00 C ATOM 493 O SER A 41 10.328 -14.729 -1.535 1.00 0.00 O ATOM 494 CB SER A 41 13.572 -14.529 -2.035 1.00 0.00 C ATOM 495 OG SER A 41 13.978 -13.856 -3.213 1.00 0.00 O ATOM 0 H SER A 41 11.560 -14.586 0.382 1.00 0.00 H new ATOM 0 HA SER A 41 12.759 -12.676 -1.313 1.00 0.00 H new ATOM 0 HB2 SER A 41 14.434 -14.683 -1.386 1.00 0.00 H new ATOM 0 HB3 SER A 41 13.185 -15.515 -2.291 1.00 0.00 H new ATOM 0 HG SER A 41 14.665 -14.384 -3.671 1.00 0.00 H new ATOM 501 N GLY A 42 10.919 -13.159 -3.034 1.00 0.00 N ATOM 502 CA GLY A 42 9.665 -13.252 -3.757 1.00 0.00 C ATOM 503 C GLY A 42 9.201 -11.911 -4.290 1.00 0.00 C ATOM 504 O GLY A 42 9.757 -10.871 -3.940 1.00 0.00 O ATOM 0 H GLY A 42 11.581 -12.481 -3.411 1.00 0.00 H new ATOM 0 HA2 GLY A 42 9.779 -13.949 -4.587 1.00 0.00 H new ATOM 0 HA3 GLY A 42 8.899 -13.662 -3.099 1.00 0.00 H new ATOM 508 N ALA A 43 8.179 -11.935 -5.139 1.00 0.00 N ATOM 509 CA ALA A 43 7.640 -10.711 -5.721 1.00 0.00 C ATOM 510 C ALA A 43 6.626 -10.060 -4.787 1.00 0.00 C ATOM 511 O ALA A 43 6.206 -10.658 -3.795 1.00 0.00 O ATOM 512 CB ALA A 43 7.005 -11.004 -7.072 1.00 0.00 C ATOM 0 H ALA A 43 7.707 -12.788 -5.439 1.00 0.00 H new ATOM 0 HA ALA A 43 8.464 -10.012 -5.864 1.00 0.00 H new ATOM 0 HB1 ALA A 43 6.607 -10.082 -7.495 1.00 0.00 H new ATOM 0 HB2 ALA A 43 7.756 -11.417 -7.745 1.00 0.00 H new ATOM 0 HB3 ALA A 43 6.196 -11.724 -6.945 1.00 0.00 H new ATOM 518 N LEU A 44 6.236 -8.831 -5.109 1.00 0.00 N ATOM 519 CA LEU A 44 5.271 -8.098 -4.297 1.00 0.00 C ATOM 520 C LEU A 44 4.268 -7.360 -5.179 1.00 0.00 C ATOM 521 O LEU A 44 4.639 -6.752 -6.183 1.00 0.00 O ATOM 522 CB LEU A 44 5.992 -7.105 -3.384 1.00 0.00 C ATOM 523 CG LEU A 44 5.108 -6.075 -2.681 1.00 0.00 C ATOM 524 CD1 LEU A 44 4.377 -6.710 -1.509 1.00 0.00 C ATOM 525 CD2 LEU A 44 5.939 -4.888 -2.215 1.00 0.00 C ATOM 0 H LEU A 44 6.573 -8.322 -5.926 1.00 0.00 H new ATOM 0 HA LEU A 44 4.728 -8.817 -3.683 1.00 0.00 H new ATOM 0 HB2 LEU A 44 6.534 -7.668 -2.624 1.00 0.00 H new ATOM 0 HB3 LEU A 44 6.736 -6.572 -3.976 1.00 0.00 H new ATOM 0 HG LEU A 44 4.365 -5.715 -3.393 1.00 0.00 H new ATOM 0 HD11 LEU A 44 3.753 -5.962 -1.021 1.00 0.00 H new ATOM 0 HD12 LEU A 44 3.751 -7.526 -1.870 1.00 0.00 H new ATOM 0 HD13 LEU A 44 5.103 -7.099 -0.795 1.00 0.00 H new ATOM 0 HD21 LEU A 44 5.293 -4.165 -1.717 1.00 0.00 H new ATOM 0 HD22 LEU A 44 6.705 -5.231 -1.519 1.00 0.00 H new ATOM 0 HD23 LEU A 44 6.415 -4.417 -3.075 1.00 0.00 H new ATOM 537 N SER A 45 2.997 -7.416 -4.795 1.00 0.00 N ATOM 538 CA SER A 45 1.940 -6.754 -5.551 1.00 0.00 C ATOM 539 C SER A 45 1.163 -5.786 -4.664 1.00 0.00 C ATOM 540 O SER A 45 0.622 -6.172 -3.628 1.00 0.00 O ATOM 541 CB SER A 45 0.988 -7.790 -6.151 1.00 0.00 C ATOM 542 OG SER A 45 0.375 -7.296 -7.329 1.00 0.00 O ATOM 0 H SER A 45 2.674 -7.913 -3.965 1.00 0.00 H new ATOM 0 HA SER A 45 2.404 -6.187 -6.358 1.00 0.00 H new ATOM 0 HB2 SER A 45 1.536 -8.704 -6.378 1.00 0.00 H new ATOM 0 HB3 SER A 45 0.222 -8.051 -5.421 1.00 0.00 H new ATOM 0 HG SER A 45 -0.227 -7.977 -7.695 1.00 0.00 H new ATOM 548 N VAL A 46 1.111 -4.524 -5.080 1.00 0.00 N ATOM 549 CA VAL A 46 0.400 -3.499 -4.325 1.00 0.00 C ATOM 550 C VAL A 46 -0.672 -2.833 -5.180 1.00 0.00 C ATOM 551 O VAL A 46 -0.475 -2.598 -6.373 1.00 0.00 O ATOM 552 CB VAL A 46 1.364 -2.420 -3.797 1.00 0.00 C ATOM 553 CG1 VAL A 46 0.620 -1.420 -2.925 1.00 0.00 C ATOM 554 CG2 VAL A 46 2.511 -3.061 -3.029 1.00 0.00 C ATOM 0 H VAL A 46 1.553 -4.187 -5.936 1.00 0.00 H new ATOM 0 HA VAL A 46 -0.072 -3.999 -3.479 1.00 0.00 H new ATOM 0 HB VAL A 46 1.782 -1.882 -4.648 1.00 0.00 H new ATOM 0 HG11 VAL A 46 1.317 -0.665 -2.561 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -0.163 -0.938 -3.511 1.00 0.00 H new ATOM 0 HG13 VAL A 46 0.172 -1.939 -2.078 1.00 0.00 H new ATOM 0 HG21 VAL A 46 3.183 -2.284 -2.663 1.00 0.00 H new ATOM 0 HG22 VAL A 46 2.114 -3.625 -2.185 1.00 0.00 H new ATOM 0 HG23 VAL A 46 3.059 -3.734 -3.688 1.00 0.00 H new ATOM 564 N THR A 47 -1.810 -2.529 -4.562 1.00 0.00 N ATOM 565 CA THR A 47 -2.914 -1.890 -5.266 1.00 0.00 C ATOM 566 C THR A 47 -3.842 -1.169 -4.294 1.00 0.00 C ATOM 567 O THR A 47 -3.989 -1.580 -3.143 1.00 0.00 O ATOM 568 CB THR A 47 -3.733 -2.914 -6.075 1.00 0.00 C ATOM 569 OG1 THR A 47 -4.059 -4.040 -5.253 1.00 0.00 O ATOM 570 CG2 THR A 47 -2.958 -3.380 -7.298 1.00 0.00 C ATOM 0 H THR A 47 -1.990 -2.715 -3.576 1.00 0.00 H new ATOM 0 HA THR A 47 -2.474 -1.165 -5.951 1.00 0.00 H new ATOM 0 HB THR A 47 -4.651 -2.431 -6.408 1.00 0.00 H new ATOM 0 HG1 THR A 47 -4.581 -4.685 -5.774 1.00 0.00 H new ATOM 0 HG21 THR A 47 -3.556 -4.102 -7.854 1.00 0.00 H new ATOM 0 HG22 THR A 47 -2.737 -2.525 -7.936 1.00 0.00 H new ATOM 0 HG23 THR A 47 -2.026 -3.847 -6.982 1.00 0.00 H new ATOM 578 N ILE A 48 -4.465 -0.095 -4.765 1.00 0.00 N ATOM 579 CA ILE A 48 -5.380 0.681 -3.937 1.00 0.00 C ATOM 580 C ILE A 48 -6.719 0.884 -4.639 1.00 0.00 C ATOM 581 O ILE A 48 -6.792 0.894 -5.868 1.00 0.00 O ATOM 582 CB ILE A 48 -4.787 2.057 -3.580 1.00 0.00 C ATOM 583 CG1 ILE A 48 -3.444 1.888 -2.867 1.00 0.00 C ATOM 584 CG2 ILE A 48 -5.758 2.844 -2.712 1.00 0.00 C ATOM 585 CD1 ILE A 48 -2.658 3.175 -2.746 1.00 0.00 C ATOM 0 H ILE A 48 -4.353 0.258 -5.715 1.00 0.00 H new ATOM 0 HA ILE A 48 -5.535 0.112 -3.020 1.00 0.00 H new ATOM 0 HB ILE A 48 -4.621 2.614 -4.502 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -3.619 1.484 -1.870 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -2.845 1.155 -3.407 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -5.324 3.814 -2.468 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -6.693 2.990 -3.253 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -5.953 2.292 -1.792 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -1.718 2.980 -2.230 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -2.451 3.570 -3.741 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -3.238 3.904 -2.180 1.00 0.00 H new ATOM 597 N ASP A 49 -7.775 1.047 -3.850 1.00 0.00 N ATOM 598 CA ASP A 49 -9.112 1.253 -4.395 1.00 0.00 C ATOM 599 C ASP A 49 -9.927 2.181 -3.499 1.00 0.00 C ATOM 600 O ASP A 49 -10.222 1.850 -2.351 1.00 0.00 O ATOM 601 CB ASP A 49 -9.833 -0.086 -4.553 1.00 0.00 C ATOM 602 CG ASP A 49 -10.833 -0.074 -5.693 1.00 0.00 C ATOM 603 OD1 ASP A 49 -10.404 0.070 -6.857 1.00 0.00 O ATOM 604 OD2 ASP A 49 -12.044 -0.210 -5.420 1.00 0.00 O ATOM 0 H ASP A 49 -7.731 1.041 -2.831 1.00 0.00 H new ATOM 0 HA ASP A 49 -9.010 1.720 -5.375 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -9.099 -0.873 -4.726 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -10.348 -0.330 -3.624 1.00 0.00 H new ATOM 609 N GLY A 50 -10.287 3.345 -4.032 1.00 0.00 N ATOM 610 CA GLY A 50 -11.063 4.303 -3.266 1.00 0.00 C ATOM 611 C GLY A 50 -12.010 5.107 -4.134 1.00 0.00 C ATOM 612 O GLY A 50 -12.166 4.846 -5.327 1.00 0.00 O ATOM 0 H GLY A 50 -10.055 3.641 -4.980 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -11.634 3.775 -2.502 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -10.386 4.982 -2.746 1.00 0.00 H new ATOM 616 N PRO A 51 -12.664 6.111 -3.531 1.00 0.00 N ATOM 617 CA PRO A 51 -13.613 6.976 -4.238 1.00 0.00 C ATOM 618 C PRO A 51 -12.923 7.896 -5.239 1.00 0.00 C ATOM 619 O PRO A 51 -13.581 8.578 -6.025 1.00 0.00 O ATOM 620 CB PRO A 51 -14.254 7.793 -3.114 1.00 0.00 C ATOM 621 CG PRO A 51 -13.238 7.801 -2.024 1.00 0.00 C ATOM 622 CD PRO A 51 -12.527 6.479 -2.112 1.00 0.00 C ATOM 0 HA PRO A 51 -14.328 6.401 -4.826 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -14.488 8.805 -3.444 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -15.189 7.342 -2.781 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -12.540 8.629 -2.147 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -13.711 7.926 -1.050 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -11.481 6.565 -1.819 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -12.981 5.734 -1.458 1.00 0.00 H new ATOM 630 N SER A 52 -11.595 7.912 -5.204 1.00 0.00 N ATOM 631 CA SER A 52 -10.816 8.752 -6.106 1.00 0.00 C ATOM 632 C SER A 52 -9.405 8.198 -6.282 1.00 0.00 C ATOM 633 O SER A 52 -8.613 8.174 -5.340 1.00 0.00 O ATOM 634 CB SER A 52 -10.751 10.185 -5.575 1.00 0.00 C ATOM 635 OG SER A 52 -10.297 10.211 -4.233 1.00 0.00 O ATOM 0 H SER A 52 -11.035 7.353 -4.560 1.00 0.00 H new ATOM 0 HA SER A 52 -11.310 8.755 -7.077 1.00 0.00 H new ATOM 0 HB2 SER A 52 -10.083 10.778 -6.200 1.00 0.00 H new ATOM 0 HB3 SER A 52 -11.737 10.645 -5.638 1.00 0.00 H new ATOM 0 HG SER A 52 -9.594 9.539 -4.112 1.00 0.00 H new ATOM 641 N LYS A 53 -9.097 7.753 -7.495 1.00 0.00 N ATOM 642 CA LYS A 53 -7.783 7.201 -7.798 1.00 0.00 C ATOM 643 C LYS A 53 -6.695 7.918 -7.004 1.00 0.00 C ATOM 644 O LYS A 53 -6.783 9.121 -6.758 1.00 0.00 O ATOM 645 CB LYS A 53 -7.492 7.312 -9.296 1.00 0.00 C ATOM 646 CG LYS A 53 -7.468 8.742 -9.807 1.00 0.00 C ATOM 647 CD LYS A 53 -8.859 9.223 -10.186 1.00 0.00 C ATOM 648 CE LYS A 53 -8.799 10.406 -11.139 1.00 0.00 C ATOM 649 NZ LYS A 53 -8.696 9.969 -12.559 1.00 0.00 N ATOM 0 H LYS A 53 -9.741 7.764 -8.286 1.00 0.00 H new ATOM 0 HA LYS A 53 -7.785 6.149 -7.512 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -6.530 6.844 -9.506 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -8.247 6.751 -9.847 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -7.052 9.396 -9.041 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -6.810 8.808 -10.674 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -9.413 8.408 -10.651 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -9.405 9.507 -9.286 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -9.690 11.021 -11.012 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -7.942 11.031 -10.888 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -8.657 10.804 -13.177 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -7.832 9.404 -12.686 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -9.526 9.393 -12.806 1.00 0.00 H new ATOM 663 N VAL A 54 -5.669 7.172 -6.607 1.00 0.00 N ATOM 664 CA VAL A 54 -4.563 7.737 -5.843 1.00 0.00 C ATOM 665 C VAL A 54 -3.224 7.417 -6.497 1.00 0.00 C ATOM 666 O VAL A 54 -2.909 6.255 -6.752 1.00 0.00 O ATOM 667 CB VAL A 54 -4.554 7.211 -4.396 1.00 0.00 C ATOM 668 CG1 VAL A 54 -5.913 7.415 -3.744 1.00 0.00 C ATOM 669 CG2 VAL A 54 -4.154 5.744 -4.365 1.00 0.00 C ATOM 0 H VAL A 54 -5.581 6.175 -6.802 1.00 0.00 H new ATOM 0 HA VAL A 54 -4.708 8.817 -5.828 1.00 0.00 H new ATOM 0 HB VAL A 54 -3.817 7.777 -3.827 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -5.887 7.037 -2.722 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -6.155 8.478 -3.732 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -6.673 6.877 -4.310 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -4.153 5.389 -3.334 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -4.866 5.160 -4.949 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -3.156 5.630 -4.789 1.00 0.00 H new ATOM 679 N GLN A 55 -2.440 8.456 -6.766 1.00 0.00 N ATOM 680 CA GLN A 55 -1.133 8.286 -7.391 1.00 0.00 C ATOM 681 C GLN A 55 -0.136 7.677 -6.410 1.00 0.00 C ATOM 682 O GLN A 55 0.373 8.361 -5.521 1.00 0.00 O ATOM 683 CB GLN A 55 -0.609 9.629 -7.902 1.00 0.00 C ATOM 684 CG GLN A 55 0.328 9.503 -9.092 1.00 0.00 C ATOM 685 CD GLN A 55 -0.362 8.949 -10.322 1.00 0.00 C ATOM 686 OE1 GLN A 55 -1.583 9.037 -10.456 1.00 0.00 O ATOM 687 NE2 GLN A 55 0.418 8.373 -11.230 1.00 0.00 N ATOM 0 H GLN A 55 -2.687 9.424 -6.561 1.00 0.00 H new ATOM 0 HA GLN A 55 -1.248 7.605 -8.234 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -1.455 10.257 -8.181 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -0.087 10.138 -7.092 1.00 0.00 H new ATOM 0 HG2 GLN A 55 0.747 10.482 -9.325 1.00 0.00 H new ATOM 0 HG3 GLN A 55 1.163 8.855 -8.825 1.00 0.00 H new ATOM 0 HE21 GLN A 55 1.425 8.322 -11.078 1.00 0.00 H new ATOM 0 HE22 GLN A 55 0.010 7.982 -12.079 1.00 0.00 H new ATOM 696 N LEU A 56 0.139 6.388 -6.577 1.00 0.00 N ATOM 697 CA LEU A 56 1.075 5.687 -5.706 1.00 0.00 C ATOM 698 C LEU A 56 2.464 5.630 -6.333 1.00 0.00 C ATOM 699 O LEU A 56 2.602 5.555 -7.554 1.00 0.00 O ATOM 700 CB LEU A 56 0.574 4.270 -5.421 1.00 0.00 C ATOM 701 CG LEU A 56 0.652 3.283 -6.586 1.00 0.00 C ATOM 702 CD1 LEU A 56 2.069 2.755 -6.745 1.00 0.00 C ATOM 703 CD2 LEU A 56 -0.327 2.136 -6.380 1.00 0.00 C ATOM 0 H LEU A 56 -0.273 5.807 -7.308 1.00 0.00 H new ATOM 0 HA LEU A 56 1.142 6.238 -4.768 1.00 0.00 H new ATOM 0 HB2 LEU A 56 1.148 3.864 -4.588 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -0.464 4.332 -5.093 1.00 0.00 H new ATOM 0 HG LEU A 56 0.378 3.808 -7.501 1.00 0.00 H new ATOM 0 HD11 LEU A 56 2.105 2.054 -7.579 1.00 0.00 H new ATOM 0 HD12 LEU A 56 2.747 3.586 -6.940 1.00 0.00 H new ATOM 0 HD13 LEU A 56 2.372 2.246 -5.830 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -0.258 1.443 -7.219 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -0.084 1.612 -5.456 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -1.341 2.530 -6.318 1.00 0.00 H new ATOM 715 N ASP A 57 3.491 5.665 -5.490 1.00 0.00 N ATOM 716 CA ASP A 57 4.870 5.614 -5.962 1.00 0.00 C ATOM 717 C ASP A 57 5.657 4.537 -5.222 1.00 0.00 C ATOM 718 O ASP A 57 5.989 4.694 -4.046 1.00 0.00 O ATOM 719 CB ASP A 57 5.544 6.974 -5.778 1.00 0.00 C ATOM 720 CG ASP A 57 5.395 7.864 -6.996 1.00 0.00 C ATOM 721 OD1 ASP A 57 4.410 7.686 -7.743 1.00 0.00 O ATOM 722 OD2 ASP A 57 6.263 8.737 -7.204 1.00 0.00 O ATOM 0 H ASP A 57 3.394 5.728 -4.477 1.00 0.00 H new ATOM 0 HA ASP A 57 4.857 5.365 -7.023 1.00 0.00 H new ATOM 0 HB2 ASP A 57 5.114 7.475 -4.911 1.00 0.00 H new ATOM 0 HB3 ASP A 57 6.603 6.826 -5.567 1.00 0.00 H new ATOM 727 N CYS A 58 5.953 3.445 -5.918 1.00 0.00 N ATOM 728 CA CYS A 58 6.701 2.341 -5.327 1.00 0.00 C ATOM 729 C CYS A 58 8.164 2.721 -5.126 1.00 0.00 C ATOM 730 O CYS A 58 8.789 3.311 -6.008 1.00 0.00 O ATOM 731 CB CYS A 58 6.601 1.098 -6.212 1.00 0.00 C ATOM 732 SG CYS A 58 6.924 -0.455 -5.343 1.00 0.00 S ATOM 0 H CYS A 58 5.687 3.300 -6.892 1.00 0.00 H new ATOM 0 HA CYS A 58 6.265 2.120 -4.353 1.00 0.00 H new ATOM 0 HB2 CYS A 58 5.604 1.056 -6.650 1.00 0.00 H new ATOM 0 HB3 CYS A 58 7.307 1.194 -7.036 1.00 0.00 H new ATOM 0 HG CYS A 58 6.814 -1.448 -6.174 1.00 0.00 H new ATOM 738 N ARG A 59 8.705 2.379 -3.961 1.00 0.00 N ATOM 739 CA ARG A 59 10.094 2.687 -3.644 1.00 0.00 C ATOM 740 C ARG A 59 10.746 1.536 -2.885 1.00 0.00 C ATOM 741 O ARG A 59 10.082 0.568 -2.515 1.00 0.00 O ATOM 742 CB ARG A 59 10.178 3.971 -2.815 1.00 0.00 C ATOM 743 CG ARG A 59 10.281 5.233 -3.655 1.00 0.00 C ATOM 744 CD ARG A 59 10.951 6.361 -2.886 1.00 0.00 C ATOM 745 NE ARG A 59 11.110 7.561 -3.703 1.00 0.00 N ATOM 746 CZ ARG A 59 10.105 8.365 -4.030 1.00 0.00 C ATOM 747 NH1 ARG A 59 8.875 8.099 -3.613 1.00 0.00 N ATOM 748 NH2 ARG A 59 10.329 9.439 -4.777 1.00 0.00 N ATOM 0 H ARG A 59 8.202 1.889 -3.221 1.00 0.00 H new ATOM 0 HA ARG A 59 10.631 2.832 -4.582 1.00 0.00 H new ATOM 0 HB2 ARG A 59 9.297 4.040 -2.178 1.00 0.00 H new ATOM 0 HB3 ARG A 59 11.044 3.912 -2.156 1.00 0.00 H new ATOM 0 HG2 ARG A 59 10.848 5.022 -4.562 1.00 0.00 H new ATOM 0 HG3 ARG A 59 9.285 5.546 -3.967 1.00 0.00 H new ATOM 0 HD2 ARG A 59 10.358 6.600 -2.003 1.00 0.00 H new ATOM 0 HD3 ARG A 59 11.928 6.030 -2.534 1.00 0.00 H new ATOM 0 HE ARG A 59 12.044 7.794 -4.041 1.00 0.00 H new ATOM 0 HH11 ARG A 59 8.698 7.275 -3.039 1.00 0.00 H new ATOM 0 HH12 ARG A 59 8.105 8.719 -3.866 1.00 0.00 H new ATOM 0 HH21 ARG A 59 11.274 9.647 -5.100 1.00 0.00 H new ATOM 0 HH22 ARG A 59 9.556 10.056 -5.028 1.00 0.00 H new ATOM 762 N GLU A 60 12.051 1.648 -2.657 1.00 0.00 N ATOM 763 CA GLU A 60 12.793 0.614 -1.943 1.00 0.00 C ATOM 764 C GLU A 60 13.083 1.045 -0.509 1.00 0.00 C ATOM 765 O GLU A 60 13.278 2.230 -0.232 1.00 0.00 O ATOM 766 CB GLU A 60 14.104 0.304 -2.669 1.00 0.00 C ATOM 767 CG GLU A 60 15.064 1.480 -2.722 1.00 0.00 C ATOM 768 CD GLU A 60 16.075 1.358 -3.845 1.00 0.00 C ATOM 769 OE1 GLU A 60 16.720 0.294 -3.951 1.00 0.00 O ATOM 770 OE2 GLU A 60 16.220 2.327 -4.620 1.00 0.00 O ATOM 0 H GLU A 60 12.616 2.443 -2.956 1.00 0.00 H new ATOM 0 HA GLU A 60 12.179 -0.286 -1.916 1.00 0.00 H new ATOM 0 HB2 GLU A 60 14.595 -0.533 -2.172 1.00 0.00 H new ATOM 0 HB3 GLU A 60 13.879 -0.016 -3.686 1.00 0.00 H new ATOM 0 HG2 GLU A 60 14.496 2.402 -2.848 1.00 0.00 H new ATOM 0 HG3 GLU A 60 15.591 1.557 -1.771 1.00 0.00 H new ATOM 777 N CYS A 61 13.108 0.077 0.400 1.00 0.00 N ATOM 778 CA CYS A 61 13.373 0.355 1.807 1.00 0.00 C ATOM 779 C CYS A 61 14.235 -0.741 2.425 1.00 0.00 C ATOM 780 O CYS A 61 14.205 -1.899 2.008 1.00 0.00 O ATOM 781 CB CYS A 61 12.059 0.483 2.579 1.00 0.00 C ATOM 782 SG CYS A 61 10.856 -0.816 2.210 1.00 0.00 S ATOM 0 H CYS A 61 12.948 -0.908 0.188 1.00 0.00 H new ATOM 0 HA CYS A 61 13.916 1.298 1.870 1.00 0.00 H new ATOM 0 HB2 CYS A 61 12.275 0.470 3.647 1.00 0.00 H new ATOM 0 HB3 CYS A 61 11.612 1.452 2.356 1.00 0.00 H new ATOM 0 HG CYS A 61 9.742 -0.565 2.831 1.00 0.00 H new ATOM 788 N PRO A 62 15.024 -0.369 3.444 1.00 0.00 N ATOM 789 CA PRO A 62 15.911 -1.305 4.141 1.00 0.00 C ATOM 790 C PRO A 62 15.140 -2.319 4.980 1.00 0.00 C ATOM 791 O PRO A 62 15.732 -3.196 5.607 1.00 0.00 O ATOM 792 CB PRO A 62 16.751 -0.395 5.041 1.00 0.00 C ATOM 793 CG PRO A 62 15.902 0.809 5.260 1.00 0.00 C ATOM 794 CD PRO A 62 15.111 0.994 3.994 1.00 0.00 C ATOM 0 HA PRO A 62 16.501 -1.902 3.445 1.00 0.00 H new ATOM 0 HB2 PRO A 62 16.993 -0.885 5.984 1.00 0.00 H new ATOM 0 HB3 PRO A 62 17.696 -0.132 4.566 1.00 0.00 H new ATOM 0 HG2 PRO A 62 15.242 0.670 6.116 1.00 0.00 H new ATOM 0 HG3 PRO A 62 16.515 1.686 5.469 1.00 0.00 H new ATOM 0 HD2 PRO A 62 14.124 1.410 4.194 1.00 0.00 H new ATOM 0 HD3 PRO A 62 15.610 1.675 3.304 1.00 0.00 H new ATOM 802 N GLU A 63 13.817 -2.191 4.985 1.00 0.00 N ATOM 803 CA GLU A 63 12.966 -3.097 5.748 1.00 0.00 C ATOM 804 C GLU A 63 12.162 -4.000 4.818 1.00 0.00 C ATOM 805 O GLU A 63 11.530 -4.959 5.260 1.00 0.00 O ATOM 806 CB GLU A 63 12.019 -2.304 6.651 1.00 0.00 C ATOM 807 CG GLU A 63 12.693 -1.731 7.887 1.00 0.00 C ATOM 808 CD GLU A 63 12.685 -2.696 9.056 1.00 0.00 C ATOM 809 OE1 GLU A 63 11.696 -3.447 9.198 1.00 0.00 O ATOM 810 OE2 GLU A 63 13.665 -2.701 9.829 1.00 0.00 O ATOM 0 H GLU A 63 13.312 -1.470 4.470 1.00 0.00 H new ATOM 0 HA GLU A 63 13.609 -3.722 6.368 1.00 0.00 H new ATOM 0 HB2 GLU A 63 11.580 -1.489 6.076 1.00 0.00 H new ATOM 0 HB3 GLU A 63 11.199 -2.952 6.962 1.00 0.00 H new ATOM 0 HG2 GLU A 63 13.723 -1.467 7.645 1.00 0.00 H new ATOM 0 HG3 GLU A 63 12.188 -0.810 8.178 1.00 0.00 H new ATOM 817 N GLY A 64 12.190 -3.686 3.526 1.00 0.00 N ATOM 818 CA GLY A 64 11.459 -4.477 2.554 1.00 0.00 C ATOM 819 C GLY A 64 10.962 -3.648 1.386 1.00 0.00 C ATOM 820 O GLY A 64 11.742 -3.258 0.517 1.00 0.00 O ATOM 0 H GLY A 64 12.706 -2.898 3.136 1.00 0.00 H new ATOM 0 HA2 GLY A 64 12.102 -5.274 2.182 1.00 0.00 H new ATOM 0 HA3 GLY A 64 10.610 -4.955 3.044 1.00 0.00 H new ATOM 824 N HIS A 65 9.661 -3.379 1.365 1.00 0.00 N ATOM 825 CA HIS A 65 9.061 -2.591 0.294 1.00 0.00 C ATOM 826 C HIS A 65 8.282 -1.408 0.861 1.00 0.00 C ATOM 827 O HIS A 65 7.620 -1.524 1.893 1.00 0.00 O ATOM 828 CB HIS A 65 8.137 -3.465 -0.554 1.00 0.00 C ATOM 829 CG HIS A 65 8.861 -4.510 -1.346 1.00 0.00 C ATOM 830 ND1 HIS A 65 9.678 -4.211 -2.416 1.00 0.00 N ATOM 831 CD2 HIS A 65 8.889 -5.857 -1.218 1.00 0.00 C ATOM 832 CE1 HIS A 65 10.176 -5.329 -2.913 1.00 0.00 C ATOM 833 NE2 HIS A 65 9.713 -6.343 -2.204 1.00 0.00 N ATOM 0 H HIS A 65 9.002 -3.695 2.077 1.00 0.00 H new ATOM 0 HA HIS A 65 9.864 -2.207 -0.335 1.00 0.00 H new ATOM 0 HB2 HIS A 65 7.412 -3.952 0.098 1.00 0.00 H new ATOM 0 HB3 HIS A 65 7.574 -2.829 -1.237 1.00 0.00 H new ATOM 0 HD2 HIS A 65 8.362 -6.441 -0.478 1.00 0.00 H new ATOM 0 HE1 HIS A 65 10.848 -5.402 -3.756 1.00 0.00 H new ATOM 0 HE2 HIS A 65 9.932 -7.327 -2.363 1.00 0.00 H new ATOM 842 N VAL A 66 8.367 -0.269 0.181 1.00 0.00 N ATOM 843 CA VAL A 66 7.670 0.935 0.616 1.00 0.00 C ATOM 844 C VAL A 66 6.875 1.555 -0.528 1.00 0.00 C ATOM 845 O VAL A 66 7.318 1.557 -1.677 1.00 0.00 O ATOM 846 CB VAL A 66 8.653 1.984 1.170 1.00 0.00 C ATOM 847 CG1 VAL A 66 9.540 2.524 0.058 1.00 0.00 C ATOM 848 CG2 VAL A 66 7.898 3.112 1.856 1.00 0.00 C ATOM 0 H VAL A 66 8.912 -0.155 -0.674 1.00 0.00 H new ATOM 0 HA VAL A 66 6.985 0.634 1.409 1.00 0.00 H new ATOM 0 HB VAL A 66 9.292 1.503 1.911 1.00 0.00 H new ATOM 0 HG11 VAL A 66 10.228 3.264 0.468 1.00 0.00 H new ATOM 0 HG12 VAL A 66 10.108 1.706 -0.384 1.00 0.00 H new ATOM 0 HG13 VAL A 66 8.920 2.990 -0.708 1.00 0.00 H new ATOM 0 HG21 VAL A 66 8.608 3.844 2.241 1.00 0.00 H new ATOM 0 HG22 VAL A 66 7.234 3.594 1.139 1.00 0.00 H new ATOM 0 HG23 VAL A 66 7.310 2.708 2.680 1.00 0.00 H new ATOM 858 N VAL A 67 5.698 2.081 -0.207 1.00 0.00 N ATOM 859 CA VAL A 67 4.841 2.706 -1.207 1.00 0.00 C ATOM 860 C VAL A 67 4.202 3.979 -0.666 1.00 0.00 C ATOM 861 O VAL A 67 3.571 3.970 0.392 1.00 0.00 O ATOM 862 CB VAL A 67 3.730 1.745 -1.673 1.00 0.00 C ATOM 863 CG1 VAL A 67 2.757 2.462 -2.597 1.00 0.00 C ATOM 864 CG2 VAL A 67 4.332 0.528 -2.359 1.00 0.00 C ATOM 0 H VAL A 67 5.316 2.087 0.739 1.00 0.00 H new ATOM 0 HA VAL A 67 5.476 2.955 -2.057 1.00 0.00 H new ATOM 0 HB VAL A 67 3.178 1.404 -0.798 1.00 0.00 H new ATOM 0 HG11 VAL A 67 1.980 1.768 -2.916 1.00 0.00 H new ATOM 0 HG12 VAL A 67 2.301 3.299 -2.067 1.00 0.00 H new ATOM 0 HG13 VAL A 67 3.292 2.834 -3.471 1.00 0.00 H new ATOM 0 HG21 VAL A 67 3.533 -0.140 -2.682 1.00 0.00 H new ATOM 0 HG22 VAL A 67 4.910 0.848 -3.226 1.00 0.00 H new ATOM 0 HG23 VAL A 67 4.985 0.003 -1.662 1.00 0.00 H new ATOM 874 N THR A 68 4.368 5.076 -1.398 1.00 0.00 N ATOM 875 CA THR A 68 3.809 6.359 -0.992 1.00 0.00 C ATOM 876 C THR A 68 2.675 6.783 -1.919 1.00 0.00 C ATOM 877 O THR A 68 2.823 6.771 -3.141 1.00 0.00 O ATOM 878 CB THR A 68 4.884 7.462 -0.977 1.00 0.00 C ATOM 879 OG1 THR A 68 5.885 7.157 0.000 1.00 0.00 O ATOM 880 CG2 THR A 68 4.265 8.817 -0.671 1.00 0.00 C ATOM 0 H THR A 68 4.886 5.101 -2.276 1.00 0.00 H new ATOM 0 HA THR A 68 3.420 6.228 0.018 1.00 0.00 H new ATOM 0 HB THR A 68 5.343 7.505 -1.965 1.00 0.00 H new ATOM 0 HG1 THR A 68 6.566 7.862 0.002 1.00 0.00 H new ATOM 0 HG21 THR A 68 5.044 9.580 -0.666 1.00 0.00 H new ATOM 0 HG22 THR A 68 3.525 9.059 -1.433 1.00 0.00 H new ATOM 0 HG23 THR A 68 3.783 8.784 0.306 1.00 0.00 H new ATOM 888 N TYR A 69 1.545 7.158 -1.331 1.00 0.00 N ATOM 889 CA TYR A 69 0.385 7.584 -2.105 1.00 0.00 C ATOM 890 C TYR A 69 -0.249 8.830 -1.494 1.00 0.00 C ATOM 891 O TYR A 69 0.044 9.197 -0.356 1.00 0.00 O ATOM 892 CB TYR A 69 -0.647 6.457 -2.180 1.00 0.00 C ATOM 893 CG TYR A 69 -1.367 6.208 -0.874 1.00 0.00 C ATOM 894 CD1 TYR A 69 -2.396 7.043 -0.456 1.00 0.00 C ATOM 895 CD2 TYR A 69 -1.019 5.139 -0.058 1.00 0.00 C ATOM 896 CE1 TYR A 69 -3.057 6.820 0.736 1.00 0.00 C ATOM 897 CE2 TYR A 69 -1.676 4.908 1.135 1.00 0.00 C ATOM 898 CZ TYR A 69 -2.694 5.751 1.528 1.00 0.00 C ATOM 899 OH TYR A 69 -3.349 5.525 2.716 1.00 0.00 O ATOM 0 H TYR A 69 1.407 7.176 -0.321 1.00 0.00 H new ATOM 0 HA TYR A 69 0.722 7.826 -3.113 1.00 0.00 H new ATOM 0 HB2 TYR A 69 -1.380 6.698 -2.949 1.00 0.00 H new ATOM 0 HB3 TYR A 69 -0.148 5.539 -2.491 1.00 0.00 H new ATOM 0 HD1 TYR A 69 -2.684 7.881 -1.074 1.00 0.00 H new ATOM 0 HD2 TYR A 69 -0.221 4.477 -0.361 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -3.854 7.479 1.046 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -1.394 4.071 1.757 1.00 0.00 H new ATOM 0 HH TYR A 69 -3.067 4.662 3.086 1.00 0.00 H new ATOM 909 N THR A 70 -1.123 9.477 -2.260 1.00 0.00 N ATOM 910 CA THR A 70 -1.800 10.681 -1.796 1.00 0.00 C ATOM 911 C THR A 70 -3.303 10.595 -2.038 1.00 0.00 C ATOM 912 O THR A 70 -3.766 10.451 -3.170 1.00 0.00 O ATOM 913 CB THR A 70 -1.250 11.939 -2.495 1.00 0.00 C ATOM 914 OG1 THR A 70 0.138 12.105 -2.185 1.00 0.00 O ATOM 915 CG2 THR A 70 -2.022 13.178 -2.067 1.00 0.00 C ATOM 0 H THR A 70 -1.378 9.187 -3.204 1.00 0.00 H new ATOM 0 HA THR A 70 -1.611 10.757 -0.725 1.00 0.00 H new ATOM 0 HB THR A 70 -1.369 11.810 -3.571 1.00 0.00 H new ATOM 0 HG1 THR A 70 0.480 12.906 -2.635 1.00 0.00 H new ATOM 0 HG21 THR A 70 -1.615 14.053 -2.574 1.00 0.00 H new ATOM 0 HG22 THR A 70 -3.073 13.061 -2.332 1.00 0.00 H new ATOM 0 HG23 THR A 70 -1.932 13.309 -0.989 1.00 0.00 H new ATOM 923 N PRO A 71 -4.084 10.687 -0.952 1.00 0.00 N ATOM 924 CA PRO A 71 -5.547 10.623 -1.021 1.00 0.00 C ATOM 925 C PRO A 71 -6.150 11.859 -1.680 1.00 0.00 C ATOM 926 O PRO A 71 -5.686 12.978 -1.463 1.00 0.00 O ATOM 927 CB PRO A 71 -5.968 10.540 0.448 1.00 0.00 C ATOM 928 CG PRO A 71 -4.851 11.177 1.199 1.00 0.00 C ATOM 929 CD PRO A 71 -3.599 10.860 0.428 1.00 0.00 C ATOM 0 HA PRO A 71 -5.891 9.783 -1.625 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -6.909 11.062 0.620 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -6.116 9.506 0.760 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -4.998 12.254 1.278 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -4.792 10.788 2.215 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -2.868 11.666 0.499 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -3.115 9.957 0.800 1.00 0.00 H new ATOM 937 N MET A 72 -7.187 11.649 -2.484 1.00 0.00 N ATOM 938 CA MET A 72 -7.855 12.747 -3.172 1.00 0.00 C ATOM 939 C MET A 72 -9.182 13.084 -2.500 1.00 0.00 C ATOM 940 O MET A 72 -9.646 14.222 -2.558 1.00 0.00 O ATOM 941 CB MET A 72 -8.091 12.389 -4.641 1.00 0.00 C ATOM 942 CG MET A 72 -6.894 12.669 -5.535 1.00 0.00 C ATOM 943 SD MET A 72 -7.235 12.342 -7.275 1.00 0.00 S ATOM 944 CE MET A 72 -8.195 13.790 -7.710 1.00 0.00 C ATOM 0 H MET A 72 -7.583 10.729 -2.675 1.00 0.00 H new ATOM 0 HA MET A 72 -7.208 13.623 -3.118 1.00 0.00 H new ATOM 0 HB2 MET A 72 -8.348 11.332 -4.712 1.00 0.00 H new ATOM 0 HB3 MET A 72 -8.949 12.951 -5.010 1.00 0.00 H new ATOM 0 HG2 MET A 72 -6.593 13.710 -5.417 1.00 0.00 H new ATOM 0 HG3 MET A 72 -6.053 12.056 -5.212 1.00 0.00 H new ATOM 0 HE1 MET A 72 -9.118 13.481 -8.200 1.00 0.00 H new ATOM 0 HE2 MET A 72 -8.434 14.353 -6.808 1.00 0.00 H new ATOM 0 HE3 MET A 72 -7.618 14.419 -8.387 1.00 0.00 H new ATOM 954 N ALA A 73 -9.787 12.087 -1.862 1.00 0.00 N ATOM 955 CA ALA A 73 -11.059 12.279 -1.177 1.00 0.00 C ATOM 956 C ALA A 73 -11.141 11.418 0.079 1.00 0.00 C ATOM 957 O ALA A 73 -10.576 10.327 0.151 1.00 0.00 O ATOM 958 CB ALA A 73 -12.215 11.962 -2.113 1.00 0.00 C ATOM 0 H ALA A 73 -9.416 11.138 -1.805 1.00 0.00 H new ATOM 0 HA ALA A 73 -11.127 13.324 -0.875 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -13.159 12.110 -1.588 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -12.174 12.623 -2.979 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -12.142 10.926 -2.444 1.00 0.00 H new ATOM 964 N PRO A 74 -11.861 11.919 1.094 1.00 0.00 N ATOM 965 CA PRO A 74 -12.034 11.211 2.366 1.00 0.00 C ATOM 966 C PRO A 74 -12.912 9.972 2.226 1.00 0.00 C ATOM 967 O PRO A 74 -14.087 10.068 1.876 1.00 0.00 O ATOM 968 CB PRO A 74 -12.715 12.250 3.260 1.00 0.00 C ATOM 969 CG PRO A 74 -13.417 13.162 2.314 1.00 0.00 C ATOM 970 CD PRO A 74 -12.562 13.213 1.078 1.00 0.00 C ATOM 0 HA PRO A 74 -11.086 10.844 2.760 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -13.416 11.780 3.950 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -11.987 12.791 3.864 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -14.416 12.791 2.083 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -13.538 14.155 2.746 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -13.164 13.332 0.177 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -11.863 14.049 1.107 1.00 0.00 H new ATOM 978 N GLY A 75 -12.332 8.807 2.501 1.00 0.00 N ATOM 979 CA GLY A 75 -13.077 7.566 2.400 1.00 0.00 C ATOM 980 C GLY A 75 -12.259 6.363 2.828 1.00 0.00 C ATOM 981 O GLY A 75 -11.248 6.504 3.513 1.00 0.00 O ATOM 0 H GLY A 75 -11.360 8.701 2.792 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -13.972 7.632 3.018 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -13.410 7.428 1.371 1.00 0.00 H new ATOM 985 N ASN A 76 -12.699 5.176 2.423 1.00 0.00 N ATOM 986 CA ASN A 76 -12.003 3.943 2.771 1.00 0.00 C ATOM 987 C ASN A 76 -11.285 3.363 1.556 1.00 0.00 C ATOM 988 O ASN A 76 -11.919 2.842 0.637 1.00 0.00 O ATOM 989 CB ASN A 76 -12.988 2.917 3.333 1.00 0.00 C ATOM 990 CG ASN A 76 -14.095 2.580 2.353 1.00 0.00 C ATOM 991 OD1 ASN A 76 -14.808 3.464 1.877 1.00 0.00 O ATOM 992 ND2 ASN A 76 -14.243 1.297 2.046 1.00 0.00 N ATOM 0 H ASN A 76 -13.534 5.042 1.853 1.00 0.00 H new ATOM 0 HA ASN A 76 -11.260 4.177 3.533 1.00 0.00 H new ATOM 0 HB2 ASN A 76 -12.449 2.006 3.595 1.00 0.00 H new ATOM 0 HB3 ASN A 76 -13.426 3.304 4.253 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -14.971 1.010 1.391 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -13.629 0.598 2.465 1.00 0.00 H new ATOM 999 N TYR A 77 -9.960 3.456 1.558 1.00 0.00 N ATOM 1000 CA TYR A 77 -9.156 2.942 0.456 1.00 0.00 C ATOM 1001 C TYR A 77 -8.691 1.517 0.739 1.00 0.00 C ATOM 1002 O TYR A 77 -8.028 1.255 1.744 1.00 0.00 O ATOM 1003 CB TYR A 77 -7.946 3.846 0.215 1.00 0.00 C ATOM 1004 CG TYR A 77 -8.309 5.213 -0.320 1.00 0.00 C ATOM 1005 CD1 TYR A 77 -8.646 6.250 0.541 1.00 0.00 C ATOM 1006 CD2 TYR A 77 -8.316 5.467 -1.686 1.00 0.00 C ATOM 1007 CE1 TYR A 77 -8.980 7.501 0.057 1.00 0.00 C ATOM 1008 CE2 TYR A 77 -8.646 6.715 -2.179 1.00 0.00 C ATOM 1009 CZ TYR A 77 -8.978 7.728 -1.303 1.00 0.00 C ATOM 1010 OH TYR A 77 -9.309 8.972 -1.790 1.00 0.00 O ATOM 0 H TYR A 77 -9.420 3.883 2.311 1.00 0.00 H new ATOM 0 HA TYR A 77 -9.778 2.931 -0.439 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -7.399 3.965 1.151 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -7.272 3.357 -0.488 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -8.647 6.076 1.607 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -8.059 4.675 -2.374 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -9.241 8.296 0.740 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -8.644 6.896 -3.244 1.00 0.00 H new ATOM 0 HH TYR A 77 -10.025 9.357 -1.243 1.00 0.00 H new ATOM 1020 N LEU A 78 -9.041 0.598 -0.155 1.00 0.00 N ATOM 1021 CA LEU A 78 -8.660 -0.802 -0.003 1.00 0.00 C ATOM 1022 C LEU A 78 -7.229 -1.031 -0.479 1.00 0.00 C ATOM 1023 O LEU A 78 -6.934 -0.915 -1.669 1.00 0.00 O ATOM 1024 CB LEU A 78 -9.620 -1.699 -0.786 1.00 0.00 C ATOM 1025 CG LEU A 78 -9.597 -3.184 -0.423 1.00 0.00 C ATOM 1026 CD1 LEU A 78 -8.170 -3.656 -0.192 1.00 0.00 C ATOM 1027 CD2 LEU A 78 -10.453 -3.445 0.809 1.00 0.00 C ATOM 0 H LEU A 78 -9.588 0.797 -0.993 1.00 0.00 H new ATOM 0 HA LEU A 78 -8.716 -1.056 1.055 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -10.634 -1.326 -0.641 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -9.393 -1.601 -1.848 1.00 0.00 H new ATOM 0 HG LEU A 78 -10.013 -3.748 -1.257 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -8.174 -4.715 0.065 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -7.586 -3.505 -1.100 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -7.726 -3.086 0.624 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -10.425 -4.507 1.053 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -10.066 -2.869 1.650 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -11.482 -3.146 0.607 1.00 0.00 H new ATOM 1039 N ILE A 79 -6.345 -1.358 0.458 1.00 0.00 N ATOM 1040 CA ILE A 79 -4.946 -1.607 0.133 1.00 0.00 C ATOM 1041 C ILE A 79 -4.646 -3.102 0.107 1.00 0.00 C ATOM 1042 O ILE A 79 -4.542 -3.743 1.152 1.00 0.00 O ATOM 1043 CB ILE A 79 -4.004 -0.923 1.142 1.00 0.00 C ATOM 1044 CG1 ILE A 79 -4.158 0.597 1.067 1.00 0.00 C ATOM 1045 CG2 ILE A 79 -2.562 -1.329 0.878 1.00 0.00 C ATOM 1046 CD1 ILE A 79 -3.270 1.343 2.037 1.00 0.00 C ATOM 0 H ILE A 79 -6.573 -1.457 1.447 1.00 0.00 H new ATOM 0 HA ILE A 79 -4.772 -1.187 -0.857 1.00 0.00 H new ATOM 0 HB ILE A 79 -4.274 -1.247 2.147 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -3.933 0.927 0.053 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -5.198 0.859 1.264 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -1.908 -0.838 1.599 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -2.464 -2.410 0.977 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -2.279 -1.030 -0.131 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -3.432 2.415 1.928 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -3.511 1.041 3.056 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -2.226 1.111 1.827 1.00 0.00 H new ATOM 1058 N ALA A 80 -4.505 -3.651 -1.095 1.00 0.00 N ATOM 1059 CA ALA A 80 -4.212 -5.069 -1.258 1.00 0.00 C ATOM 1060 C ALA A 80 -2.713 -5.307 -1.400 1.00 0.00 C ATOM 1061 O ALA A 80 -2.020 -4.563 -2.095 1.00 0.00 O ATOM 1062 CB ALA A 80 -4.954 -5.626 -2.464 1.00 0.00 C ATOM 0 H ALA A 80 -4.589 -3.135 -1.971 1.00 0.00 H new ATOM 0 HA ALA A 80 -4.553 -5.590 -0.363 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -4.726 -6.686 -2.574 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -6.027 -5.499 -2.322 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -4.641 -5.093 -3.362 1.00 0.00 H new ATOM 1068 N ILE A 81 -2.218 -6.347 -0.738 1.00 0.00 N ATOM 1069 CA ILE A 81 -0.801 -6.683 -0.791 1.00 0.00 C ATOM 1070 C ILE A 81 -0.596 -8.190 -0.892 1.00 0.00 C ATOM 1071 O ILE A 81 -1.171 -8.960 -0.123 1.00 0.00 O ATOM 1072 CB ILE A 81 -0.050 -6.156 0.446 1.00 0.00 C ATOM 1073 CG1 ILE A 81 -0.229 -4.642 0.572 1.00 0.00 C ATOM 1074 CG2 ILE A 81 1.426 -6.516 0.364 1.00 0.00 C ATOM 1075 CD1 ILE A 81 0.018 -4.118 1.969 1.00 0.00 C ATOM 0 H ILE A 81 -2.778 -6.972 -0.158 1.00 0.00 H new ATOM 0 HA ILE A 81 -0.397 -6.203 -1.683 1.00 0.00 H new ATOM 0 HB ILE A 81 -0.469 -6.627 1.335 1.00 0.00 H new ATOM 0 HG12 ILE A 81 0.452 -4.145 -0.119 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -1.242 -4.378 0.267 1.00 0.00 H new ATOM 0 HG21 ILE A 81 1.943 -6.136 1.246 1.00 0.00 H new ATOM 0 HG22 ILE A 81 1.534 -7.600 0.318 1.00 0.00 H new ATOM 0 HG23 ILE A 81 1.860 -6.070 -0.531 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -0.127 -3.038 1.983 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -0.680 -4.587 2.662 1.00 0.00 H new ATOM 0 HD13 ILE A 81 1.039 -4.351 2.270 1.00 0.00 H new ATOM 1087 N LYS A 82 0.230 -8.607 -1.846 1.00 0.00 N ATOM 1088 CA LYS A 82 0.515 -10.023 -2.048 1.00 0.00 C ATOM 1089 C LYS A 82 2.018 -10.269 -2.134 1.00 0.00 C ATOM 1090 O LYS A 82 2.793 -9.348 -2.392 1.00 0.00 O ATOM 1091 CB LYS A 82 -0.168 -10.525 -3.322 1.00 0.00 C ATOM 1092 CG LYS A 82 -1.680 -10.380 -3.299 1.00 0.00 C ATOM 1093 CD LYS A 82 -2.332 -11.154 -4.433 1.00 0.00 C ATOM 1094 CE LYS A 82 -3.680 -10.560 -4.810 1.00 0.00 C ATOM 1095 NZ LYS A 82 -4.397 -11.401 -5.809 1.00 0.00 N ATOM 0 H LYS A 82 0.714 -7.984 -2.492 1.00 0.00 H new ATOM 0 HA LYS A 82 0.123 -10.572 -1.192 1.00 0.00 H new ATOM 0 HB2 LYS A 82 0.228 -9.977 -4.177 1.00 0.00 H new ATOM 0 HB3 LYS A 82 0.086 -11.575 -3.471 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -2.066 -10.737 -2.344 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -1.947 -9.326 -3.376 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -1.675 -11.150 -5.303 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -2.462 -12.195 -4.137 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -4.294 -10.456 -3.915 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -3.535 -9.559 -5.215 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -5.421 -11.234 -5.733 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -4.076 -11.152 -6.766 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -4.196 -12.405 -5.626 1.00 0.00 H new ATOM 1109 N TYR A 83 2.422 -11.515 -1.916 1.00 0.00 N ATOM 1110 CA TYR A 83 3.832 -11.881 -1.968 1.00 0.00 C ATOM 1111 C TYR A 83 3.999 -13.391 -2.105 1.00 0.00 C ATOM 1112 O TYR A 83 3.336 -14.166 -1.416 1.00 0.00 O ATOM 1113 CB TYR A 83 4.555 -11.390 -0.713 1.00 0.00 C ATOM 1114 CG TYR A 83 6.056 -11.307 -0.871 1.00 0.00 C ATOM 1115 CD1 TYR A 83 6.859 -12.422 -0.659 1.00 0.00 C ATOM 1116 CD2 TYR A 83 6.673 -10.116 -1.232 1.00 0.00 C ATOM 1117 CE1 TYR A 83 8.231 -12.352 -0.802 1.00 0.00 C ATOM 1118 CE2 TYR A 83 8.044 -10.037 -1.379 1.00 0.00 C ATOM 1119 CZ TYR A 83 8.819 -11.157 -1.162 1.00 0.00 C ATOM 1120 OH TYR A 83 10.185 -11.082 -1.306 1.00 0.00 O ATOM 0 H TYR A 83 1.793 -12.289 -1.702 1.00 0.00 H new ATOM 0 HA TYR A 83 4.272 -11.404 -2.844 1.00 0.00 H new ATOM 0 HB2 TYR A 83 4.172 -10.405 -0.445 1.00 0.00 H new ATOM 0 HB3 TYR A 83 4.322 -12.059 0.115 1.00 0.00 H new ATOM 0 HD1 TYR A 83 6.402 -13.359 -0.378 1.00 0.00 H new ATOM 0 HD2 TYR A 83 6.070 -9.236 -1.401 1.00 0.00 H new ATOM 0 HE1 TYR A 83 8.840 -13.228 -0.633 1.00 0.00 H new ATOM 0 HE2 TYR A 83 8.507 -9.103 -1.662 1.00 0.00 H new ATOM 0 HH TYR A 83 10.405 -10.878 -2.239 1.00 0.00 H new ATOM 1130 N GLY A 84 4.890 -13.803 -3.002 1.00 0.00 N ATOM 1131 CA GLY A 84 5.129 -15.219 -3.214 1.00 0.00 C ATOM 1132 C GLY A 84 3.863 -16.044 -3.099 1.00 0.00 C ATOM 1133 O GLY A 84 3.781 -16.957 -2.279 1.00 0.00 O ATOM 0 H GLY A 84 5.450 -13.182 -3.585 1.00 0.00 H new ATOM 0 HA2 GLY A 84 5.567 -15.367 -4.201 1.00 0.00 H new ATOM 0 HA3 GLY A 84 5.858 -15.574 -2.486 1.00 0.00 H new ATOM 1137 N GLY A 85 2.871 -15.721 -3.923 1.00 0.00 N ATOM 1138 CA GLY A 85 1.615 -16.448 -3.893 1.00 0.00 C ATOM 1139 C GLY A 85 0.465 -15.643 -4.466 1.00 0.00 C ATOM 1140 O GLY A 85 0.370 -14.431 -4.272 1.00 0.00 O ATOM 0 H GLY A 85 2.915 -14.969 -4.611 1.00 0.00 H new ATOM 0 HA2 GLY A 85 1.722 -17.375 -4.456 1.00 0.00 H new ATOM 0 HA3 GLY A 85 1.384 -16.725 -2.864 1.00 0.00 H new ATOM 1144 N PRO A 86 -0.433 -16.323 -5.193 1.00 0.00 N ATOM 1145 CA PRO A 86 -1.598 -15.684 -5.813 1.00 0.00 C ATOM 1146 C PRO A 86 -2.627 -15.232 -4.783 1.00 0.00 C ATOM 1147 O PRO A 86 -3.626 -14.601 -5.127 1.00 0.00 O ATOM 1148 CB PRO A 86 -2.179 -16.787 -6.701 1.00 0.00 C ATOM 1149 CG PRO A 86 -1.731 -18.059 -6.066 1.00 0.00 C ATOM 1150 CD PRO A 86 -0.383 -17.770 -5.466 1.00 0.00 C ATOM 0 HA PRO A 86 -1.325 -14.780 -6.358 1.00 0.00 H new ATOM 0 HB2 PRO A 86 -3.267 -16.728 -6.745 1.00 0.00 H new ATOM 0 HB3 PRO A 86 -1.813 -16.705 -7.725 1.00 0.00 H new ATOM 0 HG2 PRO A 86 -2.437 -18.383 -5.301 1.00 0.00 H new ATOM 0 HG3 PRO A 86 -1.667 -18.861 -6.801 1.00 0.00 H new ATOM 0 HD2 PRO A 86 -0.217 -18.345 -4.555 1.00 0.00 H new ATOM 0 HD3 PRO A 86 0.425 -18.021 -6.153 1.00 0.00 H new ATOM 1158 N GLN A 87 -2.376 -15.558 -3.519 1.00 0.00 N ATOM 1159 CA GLN A 87 -3.283 -15.186 -2.440 1.00 0.00 C ATOM 1160 C GLN A 87 -2.733 -14.001 -1.652 1.00 0.00 C ATOM 1161 O GLN A 87 -1.567 -13.631 -1.799 1.00 0.00 O ATOM 1162 CB GLN A 87 -3.511 -16.374 -1.504 1.00 0.00 C ATOM 1163 CG GLN A 87 -2.296 -16.726 -0.660 1.00 0.00 C ATOM 1164 CD GLN A 87 -2.354 -18.140 -0.116 1.00 0.00 C ATOM 1165 OE1 GLN A 87 -2.709 -18.358 1.043 1.00 0.00 O ATOM 1166 NE2 GLN A 87 -2.004 -19.111 -0.952 1.00 0.00 N ATOM 0 H GLN A 87 -1.552 -16.079 -3.217 1.00 0.00 H new ATOM 0 HA GLN A 87 -4.235 -14.895 -2.884 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -4.349 -16.150 -0.844 1.00 0.00 H new ATOM 0 HB3 GLN A 87 -3.796 -17.243 -2.097 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -1.394 -16.609 -1.261 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -2.219 -16.024 0.170 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -1.716 -18.885 -1.904 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -2.023 -20.083 -0.642 1.00 0.00 H new ATOM 1175 N HIS A 88 -3.579 -13.409 -0.814 1.00 0.00 N ATOM 1176 CA HIS A 88 -3.177 -12.266 -0.003 1.00 0.00 C ATOM 1177 C HIS A 88 -2.289 -12.708 1.156 1.00 0.00 C ATOM 1178 O HIS A 88 -2.315 -13.870 1.562 1.00 0.00 O ATOM 1179 CB HIS A 88 -4.409 -11.536 0.533 1.00 0.00 C ATOM 1180 CG HIS A 88 -5.217 -10.863 -0.532 1.00 0.00 C ATOM 1181 ND1 HIS A 88 -5.592 -9.537 -0.468 1.00 0.00 N ATOM 1182 CD2 HIS A 88 -5.722 -11.339 -1.695 1.00 0.00 C ATOM 1183 CE1 HIS A 88 -6.293 -9.227 -1.544 1.00 0.00 C ATOM 1184 NE2 HIS A 88 -6.386 -10.303 -2.305 1.00 0.00 N ATOM 0 H HIS A 88 -4.547 -13.702 -0.679 1.00 0.00 H new ATOM 0 HA HIS A 88 -2.607 -11.585 -0.635 1.00 0.00 H new ATOM 0 HB2 HIS A 88 -5.042 -12.249 1.062 1.00 0.00 H new ATOM 0 HB3 HIS A 88 -4.091 -10.790 1.262 1.00 0.00 H new ATOM 0 HD2 HIS A 88 -5.621 -12.346 -2.072 1.00 0.00 H new ATOM 0 HE1 HIS A 88 -6.718 -8.259 -1.764 1.00 0.00 H new ATOM 0 HE2 HIS A 88 -6.872 -10.356 -3.200 1.00 0.00 H new ATOM 1193 N ILE A 89 -1.504 -11.774 1.683 1.00 0.00 N ATOM 1194 CA ILE A 89 -0.608 -12.068 2.795 1.00 0.00 C ATOM 1195 C ILE A 89 -1.330 -11.938 4.132 1.00 0.00 C ATOM 1196 O ILE A 89 -2.463 -11.459 4.194 1.00 0.00 O ATOM 1197 CB ILE A 89 0.617 -11.135 2.793 1.00 0.00 C ATOM 1198 CG1 ILE A 89 0.182 -9.686 3.020 1.00 0.00 C ATOM 1199 CG2 ILE A 89 1.380 -11.265 1.483 1.00 0.00 C ATOM 1200 CD1 ILE A 89 1.337 -8.738 3.257 1.00 0.00 C ATOM 0 H ILE A 89 -1.470 -10.808 1.358 1.00 0.00 H new ATOM 0 HA ILE A 89 -0.271 -13.096 2.665 1.00 0.00 H new ATOM 0 HB ILE A 89 1.279 -11.428 3.608 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -0.385 -9.345 2.154 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -0.491 -9.647 3.877 1.00 0.00 H new ATOM 0 HG21 ILE A 89 2.243 -10.599 1.497 1.00 0.00 H new ATOM 0 HG22 ILE A 89 1.717 -12.294 1.359 1.00 0.00 H new ATOM 0 HG23 ILE A 89 0.727 -10.995 0.653 1.00 0.00 H new ATOM 0 HD11 ILE A 89 0.954 -7.729 3.410 1.00 0.00 H new ATOM 0 HD12 ILE A 89 1.891 -9.054 4.141 1.00 0.00 H new ATOM 0 HD13 ILE A 89 1.999 -8.747 2.391 1.00 0.00 H new ATOM 1212 N VAL A 90 -0.666 -12.365 5.201 1.00 0.00 N ATOM 1213 CA VAL A 90 -1.242 -12.293 6.538 1.00 0.00 C ATOM 1214 C VAL A 90 -1.581 -10.855 6.914 1.00 0.00 C ATOM 1215 O VAL A 90 -0.693 -10.039 7.154 1.00 0.00 O ATOM 1216 CB VAL A 90 -0.285 -12.877 7.594 1.00 0.00 C ATOM 1217 CG1 VAL A 90 1.049 -12.147 7.566 1.00 0.00 C ATOM 1218 CG2 VAL A 90 -0.912 -12.806 8.978 1.00 0.00 C ATOM 0 H VAL A 90 0.272 -12.765 5.167 1.00 0.00 H new ATOM 0 HA VAL A 90 -2.157 -12.886 6.521 1.00 0.00 H new ATOM 0 HB VAL A 90 -0.104 -13.925 7.356 1.00 0.00 H new ATOM 0 HG11 VAL A 90 1.713 -12.573 8.319 1.00 0.00 H new ATOM 0 HG12 VAL A 90 1.502 -12.254 6.580 1.00 0.00 H new ATOM 0 HG13 VAL A 90 0.890 -11.090 7.779 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -0.222 -13.223 9.712 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -1.124 -11.767 9.229 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -1.840 -13.378 8.987 1.00 0.00 H new ATOM 1228 N GLY A 91 -2.875 -10.552 6.964 1.00 0.00 N ATOM 1229 CA GLY A 91 -3.309 -9.212 7.312 1.00 0.00 C ATOM 1230 C GLY A 91 -4.100 -8.551 6.200 1.00 0.00 C ATOM 1231 O GLY A 91 -5.118 -7.906 6.452 1.00 0.00 O ATOM 0 H GLY A 91 -3.630 -11.210 6.770 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -3.921 -9.254 8.213 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -2.438 -8.601 7.547 1.00 0.00 H new ATOM 1235 N SER A 92 -3.631 -8.711 4.967 1.00 0.00 N ATOM 1236 CA SER A 92 -4.298 -8.121 3.812 1.00 0.00 C ATOM 1237 C SER A 92 -5.589 -8.867 3.491 1.00 0.00 C ATOM 1238 O SER A 92 -5.755 -10.042 3.817 1.00 0.00 O ATOM 1239 CB SER A 92 -3.369 -8.137 2.597 1.00 0.00 C ATOM 1240 OG SER A 92 -2.360 -7.149 2.713 1.00 0.00 O ATOM 0 H SER A 92 -2.791 -9.244 4.742 1.00 0.00 H new ATOM 0 HA SER A 92 -4.547 -7.088 4.055 1.00 0.00 H new ATOM 0 HB2 SER A 92 -2.910 -9.121 2.500 1.00 0.00 H new ATOM 0 HB3 SER A 92 -3.948 -7.965 1.690 1.00 0.00 H new ATOM 0 HG SER A 92 -2.459 -6.680 3.568 1.00 0.00 H new ATOM 1246 N PRO A 93 -6.527 -8.168 2.834 1.00 0.00 N ATOM 1247 CA PRO A 93 -6.342 -6.768 2.441 1.00 0.00 C ATOM 1248 C PRO A 93 -6.338 -5.825 3.639 1.00 0.00 C ATOM 1249 O PRO A 93 -6.776 -6.190 4.730 1.00 0.00 O ATOM 1250 CB PRO A 93 -7.550 -6.489 1.544 1.00 0.00 C ATOM 1251 CG PRO A 93 -8.587 -7.459 1.992 1.00 0.00 C ATOM 1252 CD PRO A 93 -7.842 -8.691 2.426 1.00 0.00 C ATOM 0 HA PRO A 93 -5.383 -6.606 1.950 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -7.896 -5.461 1.654 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -7.303 -6.631 0.492 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -9.176 -7.050 2.813 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -9.282 -7.688 1.184 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -8.347 -9.197 3.249 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -7.753 -9.414 1.615 1.00 0.00 H new ATOM 1260 N PHE A 94 -5.842 -4.611 3.429 1.00 0.00 N ATOM 1261 CA PHE A 94 -5.781 -3.615 4.492 1.00 0.00 C ATOM 1262 C PHE A 94 -6.726 -2.452 4.204 1.00 0.00 C ATOM 1263 O PHE A 94 -6.653 -1.825 3.147 1.00 0.00 O ATOM 1264 CB PHE A 94 -4.350 -3.096 4.653 1.00 0.00 C ATOM 1265 CG PHE A 94 -3.407 -4.109 5.233 1.00 0.00 C ATOM 1266 CD1 PHE A 94 -3.474 -4.450 6.575 1.00 0.00 C ATOM 1267 CD2 PHE A 94 -2.452 -4.722 4.438 1.00 0.00 C ATOM 1268 CE1 PHE A 94 -2.606 -5.382 7.112 1.00 0.00 C ATOM 1269 CE2 PHE A 94 -1.582 -5.655 4.969 1.00 0.00 C ATOM 1270 CZ PHE A 94 -1.660 -5.986 6.308 1.00 0.00 C ATOM 0 H PHE A 94 -5.476 -4.293 2.532 1.00 0.00 H new ATOM 0 HA PHE A 94 -6.094 -4.093 5.420 1.00 0.00 H new ATOM 0 HB2 PHE A 94 -3.976 -2.778 3.680 1.00 0.00 H new ATOM 0 HB3 PHE A 94 -4.362 -2.214 5.293 1.00 0.00 H new ATOM 0 HD1 PHE A 94 -4.213 -3.982 7.208 1.00 0.00 H new ATOM 0 HD2 PHE A 94 -2.387 -4.467 3.390 1.00 0.00 H new ATOM 0 HE1 PHE A 94 -2.668 -5.638 8.160 1.00 0.00 H new ATOM 0 HE2 PHE A 94 -0.842 -6.125 4.338 1.00 0.00 H new ATOM 0 HZ PHE A 94 -0.982 -6.716 6.725 1.00 0.00 H new ATOM 1280 N LYS A 95 -7.615 -2.171 5.151 1.00 0.00 N ATOM 1281 CA LYS A 95 -8.576 -1.085 5.001 1.00 0.00 C ATOM 1282 C LYS A 95 -8.028 0.211 5.590 1.00 0.00 C ATOM 1283 O LYS A 95 -7.808 0.311 6.797 1.00 0.00 O ATOM 1284 CB LYS A 95 -9.898 -1.448 5.681 1.00 0.00 C ATOM 1285 CG LYS A 95 -11.022 -0.471 5.385 1.00 0.00 C ATOM 1286 CD LYS A 95 -11.730 -0.812 4.085 1.00 0.00 C ATOM 1287 CE LYS A 95 -12.483 -2.130 4.190 1.00 0.00 C ATOM 1288 NZ LYS A 95 -13.420 -2.326 3.049 1.00 0.00 N ATOM 0 H LYS A 95 -7.690 -2.681 6.031 1.00 0.00 H new ATOM 0 HA LYS A 95 -8.752 -0.934 3.936 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -10.200 -2.445 5.360 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -9.742 -1.494 6.759 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -11.740 -0.482 6.205 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -10.620 0.541 5.327 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -12.426 -0.013 3.828 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -11.001 -0.872 3.277 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -11.770 -2.954 4.220 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -13.040 -2.156 5.126 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -13.914 -3.235 3.157 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -14.116 -1.553 3.035 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -12.885 -2.327 2.157 1.00 0.00 H new ATOM 1302 N ALA A 96 -7.810 1.202 4.731 1.00 0.00 N ATOM 1303 CA ALA A 96 -7.292 2.492 5.168 1.00 0.00 C ATOM 1304 C ALA A 96 -8.383 3.557 5.148 1.00 0.00 C ATOM 1305 O ALA A 96 -9.034 3.775 4.126 1.00 0.00 O ATOM 1306 CB ALA A 96 -6.122 2.915 4.291 1.00 0.00 C ATOM 0 H ALA A 96 -7.984 1.135 3.728 1.00 0.00 H new ATOM 0 HA ALA A 96 -6.943 2.387 6.195 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -5.745 3.880 4.628 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -5.328 2.171 4.360 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -6.454 2.997 3.256 1.00 0.00 H new ATOM 1312 N LYS A 97 -8.578 4.218 6.284 1.00 0.00 N ATOM 1313 CA LYS A 97 -9.590 5.262 6.398 1.00 0.00 C ATOM 1314 C LYS A 97 -8.943 6.642 6.466 1.00 0.00 C ATOM 1315 O LYS A 97 -8.187 6.938 7.391 1.00 0.00 O ATOM 1316 CB LYS A 97 -10.454 5.030 7.639 1.00 0.00 C ATOM 1317 CG LYS A 97 -11.535 6.079 7.833 1.00 0.00 C ATOM 1318 CD LYS A 97 -12.662 5.564 8.712 1.00 0.00 C ATOM 1319 CE LYS A 97 -13.588 6.689 9.148 1.00 0.00 C ATOM 1320 NZ LYS A 97 -12.999 7.498 10.250 1.00 0.00 N ATOM 0 H LYS A 97 -8.048 4.049 7.139 1.00 0.00 H new ATOM 0 HA LYS A 97 -10.221 5.220 5.510 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -10.921 4.048 7.567 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -9.813 5.014 8.520 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -11.100 6.971 8.283 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -11.935 6.374 6.863 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -13.233 4.811 8.169 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -12.244 5.074 9.591 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -13.800 7.335 8.296 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -14.540 6.270 9.474 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -13.682 8.222 10.552 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -12.773 6.878 11.054 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -12.130 7.960 9.915 1.00 0.00 H new ATOM 1334 N VAL A 98 -9.248 7.482 5.482 1.00 0.00 N ATOM 1335 CA VAL A 98 -8.698 8.832 5.433 1.00 0.00 C ATOM 1336 C VAL A 98 -9.769 9.873 5.737 1.00 0.00 C ATOM 1337 O VAL A 98 -10.904 9.768 5.271 1.00 0.00 O ATOM 1338 CB VAL A 98 -8.079 9.136 4.055 1.00 0.00 C ATOM 1339 CG1 VAL A 98 -7.416 10.505 4.058 1.00 0.00 C ATOM 1340 CG2 VAL A 98 -7.083 8.053 3.669 1.00 0.00 C ATOM 0 H VAL A 98 -9.872 7.252 4.709 1.00 0.00 H new ATOM 0 HA VAL A 98 -7.919 8.884 6.193 1.00 0.00 H new ATOM 0 HB VAL A 98 -8.876 9.147 3.312 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -6.984 10.702 3.077 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -8.159 11.269 4.288 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -6.629 10.526 4.812 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -6.655 8.283 2.693 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -6.287 8.009 4.413 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -7.592 7.090 3.624 1.00 0.00 H new ATOM 1350 N THR A 99 -9.401 10.880 6.524 1.00 0.00 N ATOM 1351 CA THR A 99 -10.330 11.941 6.892 1.00 0.00 C ATOM 1352 C THR A 99 -9.843 13.296 6.392 1.00 0.00 C ATOM 1353 O THR A 99 -8.646 13.501 6.190 1.00 0.00 O ATOM 1354 CB THR A 99 -10.528 12.010 8.418 1.00 0.00 C ATOM 1355 OG1 THR A 99 -11.402 13.095 8.750 1.00 0.00 O ATOM 1356 CG2 THR A 99 -9.196 12.190 9.129 1.00 0.00 C ATOM 0 H THR A 99 -8.466 10.983 6.919 1.00 0.00 H new ATOM 0 HA THR A 99 -11.283 11.704 6.420 1.00 0.00 H new ATOM 0 HB THR A 99 -10.973 11.071 8.747 1.00 0.00 H new ATOM 0 HG1 THR A 99 -11.524 13.131 9.722 1.00 0.00 H new ATOM 0 HG21 THR A 99 -9.361 12.236 10.205 1.00 0.00 H new ATOM 0 HG22 THR A 99 -8.543 11.348 8.898 1.00 0.00 H new ATOM 0 HG23 THR A 99 -8.727 13.115 8.794 1.00 0.00 H new ATOM 1364 N GLY A 100 -10.778 14.221 6.196 1.00 0.00 N ATOM 1365 CA GLY A 100 -10.423 15.546 5.722 1.00 0.00 C ATOM 1366 C GLY A 100 -11.172 15.932 4.462 1.00 0.00 C ATOM 1367 O GLY A 100 -11.813 15.102 3.817 1.00 0.00 O ATOM 0 H GLY A 100 -11.775 14.076 6.357 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -10.633 16.276 6.504 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -9.351 15.584 5.530 1.00 0.00 H new ATOM 1371 N PRO A 101 -11.099 17.220 4.096 1.00 0.00 N ATOM 1372 CA PRO A 101 -11.772 17.744 2.904 1.00 0.00 C ATOM 1373 C PRO A 101 -11.137 17.239 1.612 1.00 0.00 C ATOM 1374 O PRO A 101 -9.939 16.956 1.567 1.00 0.00 O ATOM 1375 CB PRO A 101 -11.592 19.258 3.031 1.00 0.00 C ATOM 1376 CG PRO A 101 -10.368 19.426 3.863 1.00 0.00 C ATOM 1377 CD PRO A 101 -10.354 18.265 4.819 1.00 0.00 C ATOM 0 HA PRO A 101 -12.814 17.428 2.852 1.00 0.00 H new ATOM 0 HB2 PRO A 101 -11.473 19.726 2.054 1.00 0.00 H new ATOM 0 HB3 PRO A 101 -12.458 19.721 3.503 1.00 0.00 H new ATOM 0 HG2 PRO A 101 -9.472 19.431 3.242 1.00 0.00 H new ATOM 0 HG3 PRO A 101 -10.389 20.374 4.401 1.00 0.00 H new ATOM 0 HD2 PRO A 101 -9.337 17.947 5.050 1.00 0.00 H new ATOM 0 HD3 PRO A 101 -10.832 18.518 5.765 1.00 0.00 H new