USER MOD reduce.3.24.130724 H: found=0, std=0, add=661, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 663 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 20 THR OG1 : rot 21:sc= 1.31 USER MOD Set 1.2: A 23 THR OG1 : rot 15:sc= 1.07 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 THR OG1 : rot 28:sc= -0.851 USER MOD Single : A 29 THR OG1 : rot 180:sc= -0.0672 USER MOD Single : A 38 TYR OH : rot 30:sc= -0.0859 USER MOD Single : A 41 SER OG : rot -16:sc= -2.15 USER MOD Single : A 43 HIS : no HD1:sc= -3.07! C(o=-3.1!,f=-4.6!) USER MOD Single : A 44 THR OG1 : rot 70:sc= -1.56! USER MOD Single : A 49 THR OG1 : rot 31:sc= -0.935 USER MOD Single : A 50 GLN : amide:sc= -0.0661 K(o=-0.066,f=-0.95) USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 61 HIS : no HD1:sc= -3.3! C(o=-3.3!,f=-2.2!) USER MOD Single : A 62 GLN : amide:sc= -2.29! K(o=-2.3!,f=-0.75) USER MOD Single : A 69 SER OG : rot -54:sc= 0.476 USER MOD Single : A 70 THR OG1 : rot 51:sc= -0.961 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 72 TYR OH : rot 82:sc= 0.364 USER MOD Single : A 73 ASN : amide:sc= -0.898 K(o=-0.9,f=-5!) USER MOD Single : A 77 GLN : amide:sc= -0.788 K(o=-0.79,f=-1.9!) USER MOD Single : A 79 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 82 GLN : amide:sc= 0 X(o=0,f=-0.25) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 SER OG : rot 44:sc= 0.0418 USER MOD Single : A 93 THR OG1 : rot 180:sc= 0 USER MOD Single : A 94 THR OG1 : rot 170:sc= 1.54 USER MOD ----------------------------------------------------------------- ATOM 85 N GLU A 9 15.863 -5.368 -3.667 1.00 0.00 N ATOM 86 CA GLU A 9 14.675 -6.121 -3.280 1.00 0.00 C ATOM 87 C GLU A 9 13.496 -5.185 -3.031 1.00 0.00 C ATOM 88 O GLU A 9 13.676 -4.030 -2.648 1.00 0.00 O ATOM 89 CB GLU A 9 14.957 -6.950 -2.025 1.00 0.00 C ATOM 90 CG GLU A 9 15.798 -8.187 -2.288 1.00 0.00 C ATOM 91 CD GLU A 9 16.552 -8.653 -1.058 1.00 0.00 C ATOM 92 OE1 GLU A 9 15.919 -8.781 0.011 1.00 0.00 O ATOM 93 OE2 GLU A 9 17.773 -8.889 -1.164 1.00 0.00 O ATOM 0 HA GLU A 9 14.417 -6.792 -4.099 1.00 0.00 H new ATOM 0 HB2 GLU A 9 15.467 -6.323 -1.293 1.00 0.00 H new ATOM 0 HB3 GLU A 9 14.009 -7.253 -1.580 1.00 0.00 H new ATOM 0 HG2 GLU A 9 15.153 -8.992 -2.641 1.00 0.00 H new ATOM 0 HG3 GLU A 9 16.509 -7.975 -3.087 1.00 0.00 H new ATOM 100 N ALA A 10 12.288 -5.694 -3.252 1.00 0.00 N ATOM 101 CA ALA A 10 11.079 -4.905 -3.051 1.00 0.00 C ATOM 102 C ALA A 10 10.488 -5.149 -1.666 1.00 0.00 C ATOM 103 O ALA A 10 10.852 -6.095 -0.968 1.00 0.00 O ATOM 104 CB ALA A 10 10.053 -5.228 -4.128 1.00 0.00 C ATOM 0 H ALA A 10 12.121 -6.649 -3.570 1.00 0.00 H new ATOM 0 HA ALA A 10 11.347 -3.851 -3.123 1.00 0.00 H new ATOM 0 HB1 ALA A 10 9.155 -4.632 -3.966 1.00 0.00 H new ATOM 0 HB2 ALA A 10 10.470 -4.997 -5.108 1.00 0.00 H new ATOM 0 HB3 ALA A 10 9.798 -6.287 -4.082 1.00 0.00 H new ATOM 110 N PRO A 11 9.556 -4.276 -1.258 1.00 0.00 N ATOM 111 CA PRO A 11 8.896 -4.376 0.047 1.00 0.00 C ATOM 112 C PRO A 11 7.953 -5.571 0.130 1.00 0.00 C ATOM 113 O PRO A 11 7.389 -6.000 -0.877 1.00 0.00 O ATOM 114 CB PRO A 11 8.109 -3.067 0.148 1.00 0.00 C ATOM 115 CG PRO A 11 7.872 -2.657 -1.265 1.00 0.00 C ATOM 116 CD PRO A 11 9.074 -3.124 -2.038 1.00 0.00 C ATOM 0 HA PRO A 11 9.612 -4.522 0.855 1.00 0.00 H new ATOM 0 HB2 PRO A 11 7.169 -3.210 0.681 1.00 0.00 H new ATOM 0 HB3 PRO A 11 8.672 -2.308 0.691 1.00 0.00 H new ATOM 0 HG2 PRO A 11 6.959 -3.107 -1.654 1.00 0.00 H new ATOM 0 HG3 PRO A 11 7.753 -1.576 -1.343 1.00 0.00 H new ATOM 0 HD2 PRO A 11 8.810 -3.410 -3.056 1.00 0.00 H new ATOM 0 HD3 PRO A 11 9.832 -2.344 -2.112 1.00 0.00 H new ATOM 124 N ARG A 12 7.786 -6.105 1.336 1.00 0.00 N ATOM 125 CA ARG A 12 6.912 -7.252 1.549 1.00 0.00 C ATOM 126 C ARG A 12 6.066 -7.065 2.805 1.00 0.00 C ATOM 127 O ARG A 12 6.230 -6.088 3.536 1.00 0.00 O ATOM 128 CB ARG A 12 7.737 -8.535 1.663 1.00 0.00 C ATOM 129 CG ARG A 12 8.483 -8.664 2.981 1.00 0.00 C ATOM 130 CD ARG A 12 9.459 -9.830 2.958 1.00 0.00 C ATOM 131 NE ARG A 12 10.503 -9.649 1.953 1.00 0.00 N ATOM 132 CZ ARG A 12 11.594 -10.404 1.883 1.00 0.00 C ATOM 133 NH1 ARG A 12 11.782 -11.385 2.755 1.00 0.00 N ATOM 134 NH2 ARG A 12 12.499 -10.178 0.940 1.00 0.00 N ATOM 0 H ARG A 12 8.244 -5.761 2.180 1.00 0.00 H new ATOM 0 HA ARG A 12 6.245 -7.333 0.691 1.00 0.00 H new ATOM 0 HB2 ARG A 12 7.076 -9.394 1.544 1.00 0.00 H new ATOM 0 HB3 ARG A 12 8.455 -8.569 0.844 1.00 0.00 H new ATOM 0 HG2 ARG A 12 9.023 -7.740 3.186 1.00 0.00 H new ATOM 0 HG3 ARG A 12 7.769 -8.802 3.793 1.00 0.00 H new ATOM 0 HD2 ARG A 12 9.917 -9.939 3.941 1.00 0.00 H new ATOM 0 HD3 ARG A 12 8.916 -10.753 2.755 1.00 0.00 H new ATOM 0 HE ARG A 12 10.388 -8.902 1.268 1.00 0.00 H new ATOM 0 HH11 ARG A 12 11.088 -11.561 3.482 1.00 0.00 H new ATOM 0 HH12 ARG A 12 12.620 -11.963 2.699 1.00 0.00 H new ATOM 0 HH21 ARG A 12 12.358 -9.424 0.268 1.00 0.00 H new ATOM 0 HH22 ARG A 12 13.336 -10.758 0.887 1.00 0.00 H new ATOM 148 N ASP A 13 5.162 -8.007 3.049 1.00 0.00 N ATOM 149 CA ASP A 13 4.290 -7.946 4.217 1.00 0.00 C ATOM 150 C ASP A 13 3.406 -6.704 4.171 1.00 0.00 C ATOM 151 O ASP A 13 3.283 -5.980 5.160 1.00 0.00 O ATOM 152 CB ASP A 13 5.121 -7.949 5.501 1.00 0.00 C ATOM 153 CG ASP A 13 5.548 -9.345 5.911 1.00 0.00 C ATOM 154 OD1 ASP A 13 5.610 -10.229 5.032 1.00 0.00 O ATOM 155 OD2 ASP A 13 5.818 -9.554 7.113 1.00 0.00 O ATOM 0 H ASP A 13 5.014 -8.822 2.454 1.00 0.00 H new ATOM 0 HA ASP A 13 3.648 -8.827 4.207 1.00 0.00 H new ATOM 0 HB2 ASP A 13 6.006 -7.329 5.359 1.00 0.00 H new ATOM 0 HB3 ASP A 13 4.541 -7.498 6.307 1.00 0.00 H new ATOM 160 N LEU A 14 2.794 -6.462 3.017 1.00 0.00 N ATOM 161 CA LEU A 14 1.921 -5.306 2.842 1.00 0.00 C ATOM 162 C LEU A 14 0.472 -5.665 3.156 1.00 0.00 C ATOM 163 O LEU A 14 -0.235 -6.220 2.317 1.00 0.00 O ATOM 164 CB LEU A 14 2.028 -4.775 1.411 1.00 0.00 C ATOM 165 CG LEU A 14 1.083 -3.628 1.049 1.00 0.00 C ATOM 166 CD1 LEU A 14 1.563 -2.325 1.671 1.00 0.00 C ATOM 167 CD2 LEU A 14 0.967 -3.489 -0.461 1.00 0.00 C ATOM 0 H LEU A 14 2.886 -7.050 2.189 1.00 0.00 H new ATOM 0 HA LEU A 14 2.242 -4.530 3.537 1.00 0.00 H new ATOM 0 HB2 LEU A 14 3.052 -4.442 1.244 1.00 0.00 H new ATOM 0 HB3 LEU A 14 1.845 -5.601 0.724 1.00 0.00 H new ATOM 0 HG LEU A 14 0.095 -3.856 1.449 1.00 0.00 H new ATOM 0 HD11 LEU A 14 0.879 -1.520 1.403 1.00 0.00 H new ATOM 0 HD12 LEU A 14 1.594 -2.429 2.756 1.00 0.00 H new ATOM 0 HD13 LEU A 14 2.561 -2.091 1.301 1.00 0.00 H new ATOM 0 HD21 LEU A 14 0.291 -2.668 -0.700 1.00 0.00 H new ATOM 0 HD22 LEU A 14 1.950 -3.284 -0.884 1.00 0.00 H new ATOM 0 HD23 LEU A 14 0.577 -4.415 -0.883 1.00 0.00 H new ATOM 179 N GLU A 15 0.038 -5.342 4.371 1.00 0.00 N ATOM 180 CA GLU A 15 -1.327 -5.629 4.795 1.00 0.00 C ATOM 181 C GLU A 15 -1.995 -4.379 5.360 1.00 0.00 C ATOM 182 O GLU A 15 -1.330 -3.502 5.911 1.00 0.00 O ATOM 183 CB GLU A 15 -1.335 -6.744 5.843 1.00 0.00 C ATOM 184 CG GLU A 15 -2.730 -7.182 6.254 1.00 0.00 C ATOM 185 CD GLU A 15 -3.380 -8.096 5.232 1.00 0.00 C ATOM 186 OE1 GLU A 15 -3.121 -9.316 5.278 1.00 0.00 O ATOM 187 OE2 GLU A 15 -4.147 -7.589 4.387 1.00 0.00 O ATOM 0 H GLU A 15 0.612 -4.882 5.078 1.00 0.00 H new ATOM 0 HA GLU A 15 -1.891 -5.957 3.922 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -0.794 -7.605 5.450 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -0.795 -6.405 6.727 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -2.677 -7.696 7.214 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -3.356 -6.301 6.398 1.00 0.00 H new ATOM 194 N ALA A 16 -3.315 -4.306 5.219 1.00 0.00 N ATOM 195 CA ALA A 16 -4.074 -3.165 5.716 1.00 0.00 C ATOM 196 C ALA A 16 -4.251 -3.241 7.229 1.00 0.00 C ATOM 197 O ALA A 16 -4.589 -4.292 7.773 1.00 0.00 O ATOM 198 CB ALA A 16 -5.428 -3.092 5.028 1.00 0.00 C ATOM 0 H ALA A 16 -3.880 -5.023 4.765 1.00 0.00 H new ATOM 0 HA ALA A 16 -3.513 -2.259 5.487 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -5.984 -2.235 5.409 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -5.284 -2.983 3.953 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -5.988 -4.006 5.228 1.00 0.00 H new ATOM 204 N LYS A 17 -4.019 -2.120 7.904 1.00 0.00 N ATOM 205 CA LYS A 17 -4.153 -2.059 9.355 1.00 0.00 C ATOM 206 C LYS A 17 -5.094 -0.931 9.767 1.00 0.00 C ATOM 207 O LYS A 17 -5.367 -0.022 8.984 1.00 0.00 O ATOM 208 CB LYS A 17 -2.783 -1.857 10.006 1.00 0.00 C ATOM 209 CG LYS A 17 -1.792 -2.965 9.693 1.00 0.00 C ATOM 210 CD LYS A 17 -1.861 -4.082 10.721 1.00 0.00 C ATOM 211 CE LYS A 17 -1.459 -5.419 10.119 1.00 0.00 C ATOM 212 NZ LYS A 17 -1.036 -6.393 11.163 1.00 0.00 N ATOM 0 H LYS A 17 -3.737 -1.241 7.469 1.00 0.00 H new ATOM 0 HA LYS A 17 -4.575 -3.004 9.696 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -2.369 -0.905 9.673 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -2.910 -1.789 11.086 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -1.997 -3.369 8.702 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -0.782 -2.555 9.667 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -1.205 -3.847 11.559 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -2.874 -4.150 11.118 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -2.297 -5.831 9.557 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -0.644 -5.268 9.411 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -0.770 -7.292 10.712 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -0.220 -6.012 11.683 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -1.822 -6.557 11.824 1.00 0.00 H new ATOM 226 N GLU A 18 -5.586 -0.998 11.000 1.00 0.00 N ATOM 227 CA GLU A 18 -6.496 0.018 11.515 1.00 0.00 C ATOM 228 C GLU A 18 -7.410 0.540 10.410 1.00 0.00 C ATOM 229 O GLU A 18 -7.481 1.744 10.164 1.00 0.00 O ATOM 230 CB GLU A 18 -5.708 1.177 12.129 1.00 0.00 C ATOM 231 CG GLU A 18 -4.764 0.749 13.240 1.00 0.00 C ATOM 232 CD GLU A 18 -5.498 0.282 14.482 1.00 0.00 C ATOM 233 OE1 GLU A 18 -6.122 -0.799 14.431 1.00 0.00 O ATOM 234 OE2 GLU A 18 -5.449 0.997 15.504 1.00 0.00 O ATOM 0 H GLU A 18 -5.370 -1.745 11.660 1.00 0.00 H new ATOM 0 HA GLU A 18 -7.113 -0.442 12.287 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -5.133 1.670 11.345 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -6.408 1.914 12.522 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -4.123 -0.055 12.878 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -4.113 1.583 13.500 1.00 0.00 H new ATOM 241 N VAL A 19 -8.108 -0.376 9.746 1.00 0.00 N ATOM 242 CA VAL A 19 -9.019 -0.009 8.667 1.00 0.00 C ATOM 243 C VAL A 19 -10.321 0.560 9.217 1.00 0.00 C ATOM 244 O VAL A 19 -10.954 -0.036 10.089 1.00 0.00 O ATOM 245 CB VAL A 19 -9.339 -1.218 7.768 1.00 0.00 C ATOM 246 CG1 VAL A 19 -10.399 -0.854 6.740 1.00 0.00 C ATOM 247 CG2 VAL A 19 -8.076 -1.725 7.087 1.00 0.00 C ATOM 0 H VAL A 19 -8.060 -1.377 9.936 1.00 0.00 H new ATOM 0 HA VAL A 19 -8.515 0.753 8.073 1.00 0.00 H new ATOM 0 HB VAL A 19 -9.734 -2.019 8.393 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -10.612 -1.721 6.114 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -11.310 -0.543 7.251 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -10.036 -0.037 6.117 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -8.321 -2.579 6.456 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -7.650 -0.931 6.474 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -7.352 -2.028 7.843 1.00 0.00 H new ATOM 257 N THR A 20 -10.719 1.719 8.701 1.00 0.00 N ATOM 258 CA THR A 20 -11.946 2.371 9.140 1.00 0.00 C ATOM 259 C THR A 20 -12.631 3.090 7.983 1.00 0.00 C ATOM 260 O THR A 20 -12.010 3.424 6.974 1.00 0.00 O ATOM 261 CB THR A 20 -11.672 3.382 10.269 1.00 0.00 C ATOM 262 OG1 THR A 20 -10.391 3.993 10.080 1.00 0.00 O ATOM 263 CG2 THR A 20 -11.719 2.701 11.629 1.00 0.00 C ATOM 0 H THR A 20 -10.208 2.226 7.978 1.00 0.00 H new ATOM 0 HA THR A 20 -12.603 1.587 9.517 1.00 0.00 H new ATOM 0 HB THR A 20 -12.447 4.148 10.237 1.00 0.00 H new ATOM 0 HG1 THR A 20 -10.120 3.901 9.143 1.00 0.00 H new ATOM 0 HG21 THR A 20 -11.523 3.435 12.410 1.00 0.00 H new ATOM 0 HG22 THR A 20 -12.705 2.263 11.783 1.00 0.00 H new ATOM 0 HG23 THR A 20 -10.963 1.917 11.670 1.00 0.00 H new ATOM 271 N PRO A 21 -13.941 3.337 8.132 1.00 0.00 N ATOM 272 CA PRO A 21 -14.738 4.022 7.109 1.00 0.00 C ATOM 273 C PRO A 21 -14.374 5.497 6.982 1.00 0.00 C ATOM 274 O PRO A 21 -14.952 6.221 6.171 1.00 0.00 O ATOM 275 CB PRO A 21 -16.174 3.867 7.617 1.00 0.00 C ATOM 276 CG PRO A 21 -16.039 3.702 9.091 1.00 0.00 C ATOM 277 CD PRO A 21 -14.745 2.968 9.309 1.00 0.00 C ATOM 0 HA PRO A 21 -14.575 3.603 6.116 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -16.778 4.740 7.370 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -16.663 3.004 7.165 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -16.028 4.670 9.593 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -16.879 3.141 9.499 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -14.262 3.273 10.237 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -14.899 1.891 9.369 1.00 0.00 H new ATOM 285 N ARG A 22 -13.412 5.936 7.787 1.00 0.00 N ATOM 286 CA ARG A 22 -12.972 7.326 7.765 1.00 0.00 C ATOM 287 C ARG A 22 -11.479 7.419 7.465 1.00 0.00 C ATOM 288 O ARG A 22 -10.990 8.450 7.002 1.00 0.00 O ATOM 289 CB ARG A 22 -13.278 8.002 9.103 1.00 0.00 C ATOM 290 CG ARG A 22 -14.689 8.558 9.196 1.00 0.00 C ATOM 291 CD ARG A 22 -14.789 9.935 8.558 1.00 0.00 C ATOM 292 NE ARG A 22 -15.873 10.727 9.132 1.00 0.00 N ATOM 293 CZ ARG A 22 -16.208 11.937 8.699 1.00 0.00 C ATOM 294 NH1 ARG A 22 -15.546 12.492 7.693 1.00 0.00 N ATOM 295 NH2 ARG A 22 -17.207 12.596 9.273 1.00 0.00 N ATOM 0 H ARG A 22 -12.922 5.349 8.463 1.00 0.00 H new ATOM 0 HA ARG A 22 -13.517 7.841 6.973 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -13.127 7.282 9.907 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -12.566 8.812 9.262 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -15.383 7.877 8.704 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -14.989 8.618 10.242 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -13.845 10.464 8.688 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -14.948 9.827 7.485 1.00 0.00 H new ATOM 0 HE ARG A 22 -16.402 10.329 9.908 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -14.777 11.989 7.249 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -15.806 13.421 7.363 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -17.718 12.173 10.048 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -17.463 13.525 8.939 1.00 0.00 H new ATOM 309 N THR A 23 -10.758 6.334 7.733 1.00 0.00 N ATOM 310 CA THR A 23 -9.321 6.293 7.494 1.00 0.00 C ATOM 311 C THR A 23 -8.844 4.865 7.256 1.00 0.00 C ATOM 312 O THR A 23 -9.631 3.921 7.309 1.00 0.00 O ATOM 313 CB THR A 23 -8.538 6.893 8.677 1.00 0.00 C ATOM 314 OG1 THR A 23 -8.972 6.298 9.905 1.00 0.00 O ATOM 315 CG2 THR A 23 -8.729 8.401 8.743 1.00 0.00 C ATOM 0 H THR A 23 -11.146 5.472 8.116 1.00 0.00 H new ATOM 0 HA THR A 23 -9.132 6.890 6.602 1.00 0.00 H new ATOM 0 HB THR A 23 -7.479 6.683 8.527 1.00 0.00 H new ATOM 0 HG1 THR A 23 -9.494 5.491 9.711 1.00 0.00 H new ATOM 0 HG21 THR A 23 -8.167 8.802 9.586 1.00 0.00 H new ATOM 0 HG22 THR A 23 -8.370 8.854 7.819 1.00 0.00 H new ATOM 0 HG23 THR A 23 -9.787 8.628 8.871 1.00 0.00 H new ATOM 323 N ALA A 24 -7.550 4.714 6.994 1.00 0.00 N ATOM 324 CA ALA A 24 -6.968 3.401 6.751 1.00 0.00 C ATOM 325 C ALA A 24 -5.444 3.469 6.739 1.00 0.00 C ATOM 326 O ALA A 24 -4.851 4.204 5.948 1.00 0.00 O ATOM 327 CB ALA A 24 -7.482 2.831 5.437 1.00 0.00 C ATOM 0 H ALA A 24 -6.885 5.486 6.945 1.00 0.00 H new ATOM 0 HA ALA A 24 -7.270 2.741 7.564 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -7.039 1.850 5.268 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -8.567 2.737 5.481 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -7.209 3.498 4.619 1.00 0.00 H new ATOM 333 N LEU A 25 -4.816 2.699 7.621 1.00 0.00 N ATOM 334 CA LEU A 25 -3.360 2.673 7.713 1.00 0.00 C ATOM 335 C LEU A 25 -2.793 1.442 7.014 1.00 0.00 C ATOM 336 O LEU A 25 -3.437 0.394 6.958 1.00 0.00 O ATOM 337 CB LEU A 25 -2.922 2.689 9.179 1.00 0.00 C ATOM 338 CG LEU A 25 -1.425 2.508 9.433 1.00 0.00 C ATOM 339 CD1 LEU A 25 -0.707 3.848 9.374 1.00 0.00 C ATOM 340 CD2 LEU A 25 -1.190 1.834 10.777 1.00 0.00 C ATOM 0 H LEU A 25 -5.292 2.085 8.282 1.00 0.00 H new ATOM 0 HA LEU A 25 -2.972 3.562 7.215 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -3.233 3.636 9.620 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -3.458 1.900 9.706 1.00 0.00 H new ATOM 0 HG LEU A 25 -1.018 1.867 8.651 1.00 0.00 H new ATOM 0 HD11 LEU A 25 0.357 3.699 9.557 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -0.847 4.293 8.389 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -1.116 4.514 10.134 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -0.119 1.713 10.941 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -1.612 2.450 11.571 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -1.671 0.856 10.782 1.00 0.00 H new ATOM 352 N LEU A 26 -1.582 1.575 6.484 1.00 0.00 N ATOM 353 CA LEU A 26 -0.925 0.472 5.790 1.00 0.00 C ATOM 354 C LEU A 26 0.445 0.186 6.396 1.00 0.00 C ATOM 355 O LEU A 26 1.241 1.099 6.619 1.00 0.00 O ATOM 356 CB LEU A 26 -0.780 0.795 4.302 1.00 0.00 C ATOM 357 CG LEU A 26 -2.008 0.522 3.432 1.00 0.00 C ATOM 358 CD1 LEU A 26 -1.983 1.392 2.186 1.00 0.00 C ATOM 359 CD2 LEU A 26 -2.077 -0.951 3.056 1.00 0.00 C ATOM 0 H LEU A 26 -1.035 2.435 6.521 1.00 0.00 H new ATOM 0 HA LEU A 26 -1.545 -0.417 5.904 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -0.517 1.848 4.203 1.00 0.00 H new ATOM 0 HB3 LEU A 26 0.056 0.219 3.906 1.00 0.00 H new ATOM 0 HG LEU A 26 -2.900 0.772 4.006 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -2.864 1.184 1.579 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -1.982 2.443 2.476 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -1.085 1.174 1.608 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -2.957 -1.128 2.437 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -1.181 -1.227 2.500 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -2.143 -1.555 3.961 1.00 0.00 H new ATOM 371 N THR A 27 0.715 -1.089 6.660 1.00 0.00 N ATOM 372 CA THR A 27 1.989 -1.496 7.239 1.00 0.00 C ATOM 373 C THR A 27 2.740 -2.440 6.307 1.00 0.00 C ATOM 374 O THR A 27 2.191 -3.442 5.849 1.00 0.00 O ATOM 375 CB THR A 27 1.791 -2.188 8.601 1.00 0.00 C ATOM 376 OG1 THR A 27 0.923 -3.318 8.455 1.00 0.00 O ATOM 377 CG2 THR A 27 1.206 -1.221 9.619 1.00 0.00 C ATOM 0 H THR A 27 0.068 -1.857 6.482 1.00 0.00 H new ATOM 0 HA THR A 27 2.576 -0.588 7.382 1.00 0.00 H new ATOM 0 HB THR A 27 2.765 -2.522 8.959 1.00 0.00 H new ATOM 0 HG1 THR A 27 0.994 -3.669 7.543 1.00 0.00 H new ATOM 0 HG21 THR A 27 1.075 -1.732 10.573 1.00 0.00 H new ATOM 0 HG22 THR A 27 1.883 -0.377 9.750 1.00 0.00 H new ATOM 0 HG23 THR A 27 0.240 -0.860 9.265 1.00 0.00 H new ATOM 385 N TRP A 28 3.997 -2.113 6.030 1.00 0.00 N ATOM 386 CA TRP A 28 4.824 -2.934 5.152 1.00 0.00 C ATOM 387 C TRP A 28 6.243 -3.054 5.697 1.00 0.00 C ATOM 388 O TRP A 28 6.649 -2.293 6.576 1.00 0.00 O ATOM 389 CB TRP A 28 4.854 -2.338 3.743 1.00 0.00 C ATOM 390 CG TRP A 28 5.752 -1.144 3.623 1.00 0.00 C ATOM 391 CD1 TRP A 28 7.115 -1.148 3.536 1.00 0.00 C ATOM 392 CD2 TRP A 28 5.349 0.229 3.577 1.00 0.00 C ATOM 393 NE1 TRP A 28 7.584 0.140 3.439 1.00 0.00 N ATOM 394 CE2 TRP A 28 6.521 1.003 3.461 1.00 0.00 C ATOM 395 CE3 TRP A 28 4.114 0.880 3.621 1.00 0.00 C ATOM 396 CZ2 TRP A 28 6.490 2.393 3.391 1.00 0.00 C ATOM 397 CZ3 TRP A 28 4.085 2.260 3.551 1.00 0.00 C ATOM 398 CH2 TRP A 28 5.267 3.005 3.436 1.00 0.00 C ATOM 0 H TRP A 28 4.466 -1.286 6.400 1.00 0.00 H new ATOM 0 HA TRP A 28 4.386 -3.931 5.108 1.00 0.00 H new ATOM 0 HB2 TRP A 28 5.182 -3.103 3.039 1.00 0.00 H new ATOM 0 HB3 TRP A 28 3.842 -2.053 3.455 1.00 0.00 H new ATOM 0 HD1 TRP A 28 7.733 -2.033 3.542 1.00 0.00 H new ATOM 0 HE1 TRP A 28 8.565 0.410 3.363 1.00 0.00 H new ATOM 0 HE3 TRP A 28 3.198 0.315 3.708 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 7.400 2.968 3.304 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 3.135 2.773 3.585 1.00 0.00 H new ATOM 0 HH2 TRP A 28 5.211 4.082 3.382 1.00 0.00 H new ATOM 409 N THR A 29 6.995 -4.016 5.170 1.00 0.00 N ATOM 410 CA THR A 29 8.369 -4.236 5.604 1.00 0.00 C ATOM 411 C THR A 29 9.359 -3.579 4.650 1.00 0.00 C ATOM 412 O THR A 29 9.305 -3.796 3.440 1.00 0.00 O ATOM 413 CB THR A 29 8.691 -5.739 5.706 1.00 0.00 C ATOM 414 OG1 THR A 29 7.861 -6.352 6.699 1.00 0.00 O ATOM 415 CG2 THR A 29 10.155 -5.956 6.058 1.00 0.00 C ATOM 0 H THR A 29 6.675 -4.655 4.442 1.00 0.00 H new ATOM 0 HA THR A 29 8.466 -3.783 6.591 1.00 0.00 H new ATOM 0 HB THR A 29 8.495 -6.196 4.736 1.00 0.00 H new ATOM 0 HG1 THR A 29 8.071 -7.308 6.756 1.00 0.00 H new ATOM 0 HG21 THR A 29 10.359 -7.025 6.125 1.00 0.00 H new ATOM 0 HG22 THR A 29 10.784 -5.514 5.286 1.00 0.00 H new ATOM 0 HG23 THR A 29 10.372 -5.485 7.017 1.00 0.00 H new ATOM 423 N GLU A 30 10.264 -2.777 5.203 1.00 0.00 N ATOM 424 CA GLU A 30 11.267 -2.089 4.399 1.00 0.00 C ATOM 425 C GLU A 30 12.310 -3.070 3.873 1.00 0.00 C ATOM 426 O GLU A 30 12.738 -3.992 4.568 1.00 0.00 O ATOM 427 CB GLU A 30 11.950 -0.995 5.223 1.00 0.00 C ATOM 428 CG GLU A 30 11.253 0.353 5.141 1.00 0.00 C ATOM 429 CD GLU A 30 11.739 1.326 6.198 1.00 0.00 C ATOM 430 OE1 GLU A 30 12.278 0.865 7.226 1.00 0.00 O ATOM 431 OE2 GLU A 30 11.580 2.548 5.997 1.00 0.00 O ATOM 0 H GLU A 30 10.323 -2.588 6.204 1.00 0.00 H new ATOM 0 HA GLU A 30 10.762 -1.632 3.548 1.00 0.00 H new ATOM 0 HB2 GLU A 30 11.992 -1.310 6.266 1.00 0.00 H new ATOM 0 HB3 GLU A 30 12.979 -0.884 4.882 1.00 0.00 H new ATOM 0 HG2 GLU A 30 11.417 0.783 4.153 1.00 0.00 H new ATOM 0 HG3 GLU A 30 10.178 0.209 5.251 1.00 0.00 H new ATOM 438 N PRO A 31 12.729 -2.870 2.615 1.00 0.00 N ATOM 439 CA PRO A 31 13.726 -3.726 1.967 1.00 0.00 C ATOM 440 C PRO A 31 15.118 -3.548 2.563 1.00 0.00 C ATOM 441 O PRO A 31 15.369 -2.639 3.354 1.00 0.00 O ATOM 442 CB PRO A 31 13.704 -3.256 0.510 1.00 0.00 C ATOM 443 CG PRO A 31 13.223 -1.848 0.573 1.00 0.00 C ATOM 444 CD PRO A 31 12.262 -1.791 1.728 1.00 0.00 C ATOM 0 HA PRO A 31 13.497 -4.784 2.091 1.00 0.00 H new ATOM 0 HB2 PRO A 31 14.695 -3.316 0.060 1.00 0.00 H new ATOM 0 HB3 PRO A 31 13.041 -3.874 -0.095 1.00 0.00 H new ATOM 0 HG2 PRO A 31 14.054 -1.158 0.722 1.00 0.00 H new ATOM 0 HG3 PRO A 31 12.733 -1.561 -0.357 1.00 0.00 H new ATOM 0 HD2 PRO A 31 12.289 -0.822 2.226 1.00 0.00 H new ATOM 0 HD3 PRO A 31 11.234 -1.954 1.404 1.00 0.00 H new ATOM 452 N PRO A 32 16.047 -4.436 2.175 1.00 0.00 N ATOM 453 CA PRO A 32 17.430 -4.396 2.659 1.00 0.00 C ATOM 454 C PRO A 32 18.202 -3.201 2.111 1.00 0.00 C ATOM 455 O PRO A 32 19.313 -2.910 2.554 1.00 0.00 O ATOM 456 CB PRO A 32 18.026 -5.705 2.134 1.00 0.00 C ATOM 457 CG PRO A 32 17.205 -6.043 0.938 1.00 0.00 C ATOM 458 CD PRO A 32 15.818 -5.545 1.235 1.00 0.00 C ATOM 0 HA PRO A 32 17.480 -4.293 3.743 1.00 0.00 H new ATOM 0 HB2 PRO A 32 19.077 -5.584 1.871 1.00 0.00 H new ATOM 0 HB3 PRO A 32 17.974 -6.493 2.885 1.00 0.00 H new ATOM 0 HG2 PRO A 32 17.606 -5.569 0.042 1.00 0.00 H new ATOM 0 HG3 PRO A 32 17.203 -7.118 0.757 1.00 0.00 H new ATOM 0 HD2 PRO A 32 15.310 -5.207 0.331 1.00 0.00 H new ATOM 0 HD3 PRO A 32 15.197 -6.324 1.677 1.00 0.00 H new ATOM 466 N VAL A 33 17.606 -2.511 1.143 1.00 0.00 N ATOM 467 CA VAL A 33 18.238 -1.346 0.535 1.00 0.00 C ATOM 468 C VAL A 33 17.302 -0.142 0.551 1.00 0.00 C ATOM 469 O VAL A 33 16.365 -0.061 -0.245 1.00 0.00 O ATOM 470 CB VAL A 33 18.664 -1.632 -0.917 1.00 0.00 C ATOM 471 CG1 VAL A 33 19.270 -0.389 -1.551 1.00 0.00 C ATOM 472 CG2 VAL A 33 19.642 -2.796 -0.965 1.00 0.00 C ATOM 0 H VAL A 33 16.687 -2.739 0.763 1.00 0.00 H new ATOM 0 HA VAL A 33 19.125 -1.121 1.128 1.00 0.00 H new ATOM 0 HB VAL A 33 17.778 -1.907 -1.490 1.00 0.00 H new ATOM 0 HG11 VAL A 33 19.565 -0.611 -2.577 1.00 0.00 H new ATOM 0 HG12 VAL A 33 18.534 0.415 -1.551 1.00 0.00 H new ATOM 0 HG13 VAL A 33 20.146 -0.080 -0.980 1.00 0.00 H new ATOM 0 HG21 VAL A 33 19.933 -2.985 -1.998 1.00 0.00 H new ATOM 0 HG22 VAL A 33 20.527 -2.552 -0.378 1.00 0.00 H new ATOM 0 HG23 VAL A 33 19.168 -3.687 -0.553 1.00 0.00 H new ATOM 482 N ARG A 34 17.561 0.790 1.461 1.00 0.00 N ATOM 483 CA ARG A 34 16.741 1.990 1.581 1.00 0.00 C ATOM 484 C ARG A 34 16.669 2.734 0.251 1.00 0.00 C ATOM 485 O ARG A 34 17.650 3.310 -0.220 1.00 0.00 O ATOM 486 CB ARG A 34 17.303 2.912 2.664 1.00 0.00 C ATOM 487 CG ARG A 34 16.285 3.896 3.215 1.00 0.00 C ATOM 488 CD ARG A 34 15.516 3.305 4.386 1.00 0.00 C ATOM 489 NE ARG A 34 14.950 4.340 5.248 1.00 0.00 N ATOM 490 CZ ARG A 34 14.306 4.081 6.381 1.00 0.00 C ATOM 491 NH1 ARG A 34 14.147 2.829 6.786 1.00 0.00 N ATOM 492 NH2 ARG A 34 13.820 5.077 7.111 1.00 0.00 N ATOM 0 H ARG A 34 18.332 0.738 2.126 1.00 0.00 H new ATOM 0 HA ARG A 34 15.733 1.684 1.862 1.00 0.00 H new ATOM 0 HB2 ARG A 34 17.688 2.304 3.483 1.00 0.00 H new ATOM 0 HB3 ARG A 34 18.147 3.467 2.255 1.00 0.00 H new ATOM 0 HG2 ARG A 34 16.793 4.806 3.534 1.00 0.00 H new ATOM 0 HG3 ARG A 34 15.588 4.180 2.427 1.00 0.00 H new ATOM 0 HD2 ARG A 34 14.715 2.669 4.009 1.00 0.00 H new ATOM 0 HD3 ARG A 34 16.180 2.669 4.971 1.00 0.00 H new ATOM 0 HE ARG A 34 15.055 5.314 4.965 1.00 0.00 H new ATOM 0 HH11 ARG A 34 14.520 2.061 6.227 1.00 0.00 H new ATOM 0 HH12 ARG A 34 13.652 2.633 7.656 1.00 0.00 H new ATOM 0 HH21 ARG A 34 13.941 6.042 6.802 1.00 0.00 H new ATOM 0 HH22 ARG A 34 13.326 4.878 7.981 1.00 0.00 H new ATOM 506 N PRO A 35 15.480 2.724 -0.370 1.00 0.00 N ATOM 507 CA PRO A 35 15.252 3.393 -1.654 1.00 0.00 C ATOM 508 C PRO A 35 15.283 4.913 -1.529 1.00 0.00 C ATOM 509 O PRO A 35 15.141 5.458 -0.435 1.00 0.00 O ATOM 510 CB PRO A 35 13.853 2.919 -2.057 1.00 0.00 C ATOM 511 CG PRO A 35 13.184 2.576 -0.771 1.00 0.00 C ATOM 512 CD PRO A 35 14.267 2.058 0.134 1.00 0.00 C ATOM 0 HA PRO A 35 16.026 3.151 -2.383 1.00 0.00 H new ATOM 0 HB2 PRO A 35 13.309 3.699 -2.590 1.00 0.00 H new ATOM 0 HB3 PRO A 35 13.903 2.055 -2.720 1.00 0.00 H new ATOM 0 HG2 PRO A 35 12.699 3.451 -0.338 1.00 0.00 H new ATOM 0 HG3 PRO A 35 12.409 1.824 -0.922 1.00 0.00 H new ATOM 0 HD2 PRO A 35 14.074 2.310 1.177 1.00 0.00 H new ATOM 0 HD3 PRO A 35 14.352 0.973 0.079 1.00 0.00 H new ATOM 520 N ALA A 36 15.470 5.591 -2.657 1.00 0.00 N ATOM 521 CA ALA A 36 15.517 7.048 -2.673 1.00 0.00 C ATOM 522 C ALA A 36 14.226 7.645 -2.125 1.00 0.00 C ATOM 523 O ALA A 36 14.250 8.630 -1.388 1.00 0.00 O ATOM 524 CB ALA A 36 15.776 7.551 -4.086 1.00 0.00 C ATOM 0 H ALA A 36 15.591 5.155 -3.571 1.00 0.00 H new ATOM 0 HA ALA A 36 16.336 7.368 -2.029 1.00 0.00 H new ATOM 0 HB1 ALA A 36 15.809 8.641 -4.084 1.00 0.00 H new ATOM 0 HB2 ALA A 36 16.729 7.160 -4.442 1.00 0.00 H new ATOM 0 HB3 ALA A 36 14.976 7.213 -4.745 1.00 0.00 H new ATOM 530 N GLY A 37 13.098 7.043 -2.490 1.00 0.00 N ATOM 531 CA GLY A 37 11.813 7.531 -2.026 1.00 0.00 C ATOM 532 C GLY A 37 10.727 6.477 -2.113 1.00 0.00 C ATOM 533 O GLY A 37 11.008 5.306 -2.371 1.00 0.00 O ATOM 0 H GLY A 37 13.052 6.226 -3.099 1.00 0.00 H new ATOM 0 HA2 GLY A 37 11.907 7.867 -0.993 1.00 0.00 H new ATOM 0 HA3 GLY A 37 11.522 8.398 -2.618 1.00 0.00 H new ATOM 537 N TYR A 38 9.484 6.891 -1.895 1.00 0.00 N ATOM 538 CA TYR A 38 8.352 5.973 -1.946 1.00 0.00 C ATOM 539 C TYR A 38 7.119 6.660 -2.523 1.00 0.00 C ATOM 540 O TYR A 38 6.904 7.855 -2.314 1.00 0.00 O ATOM 541 CB TYR A 38 8.043 5.434 -0.548 1.00 0.00 C ATOM 542 CG TYR A 38 8.791 4.165 -0.209 1.00 0.00 C ATOM 543 CD1 TYR A 38 8.656 3.025 -0.992 1.00 0.00 C ATOM 544 CD2 TYR A 38 9.633 4.106 0.894 1.00 0.00 C ATOM 545 CE1 TYR A 38 9.338 1.863 -0.685 1.00 0.00 C ATOM 546 CE2 TYR A 38 10.320 2.948 1.208 1.00 0.00 C ATOM 547 CZ TYR A 38 10.168 1.830 0.415 1.00 0.00 C ATOM 548 OH TYR A 38 10.850 0.675 0.723 1.00 0.00 O ATOM 0 H TYR A 38 9.234 7.857 -1.681 1.00 0.00 H new ATOM 0 HA TYR A 38 8.620 5.141 -2.598 1.00 0.00 H new ATOM 0 HB2 TYR A 38 8.289 6.198 0.189 1.00 0.00 H new ATOM 0 HB3 TYR A 38 6.972 5.247 -0.469 1.00 0.00 H new ATOM 0 HD1 TYR A 38 8.007 3.048 -1.855 1.00 0.00 H new ATOM 0 HD2 TYR A 38 9.753 4.980 1.517 1.00 0.00 H new ATOM 0 HE1 TYR A 38 9.221 0.985 -1.304 1.00 0.00 H new ATOM 0 HE2 TYR A 38 10.972 2.919 2.069 1.00 0.00 H new ATOM 0 HH TYR A 38 11.037 0.176 -0.100 1.00 0.00 H new ATOM 558 N LEU A 39 6.310 5.897 -3.250 1.00 0.00 N ATOM 559 CA LEU A 39 5.096 6.430 -3.858 1.00 0.00 C ATOM 560 C LEU A 39 3.926 5.470 -3.670 1.00 0.00 C ATOM 561 O LEU A 39 3.846 4.434 -4.332 1.00 0.00 O ATOM 562 CB LEU A 39 5.321 6.692 -5.348 1.00 0.00 C ATOM 563 CG LEU A 39 4.169 7.368 -6.092 1.00 0.00 C ATOM 564 CD1 LEU A 39 4.693 8.162 -7.279 1.00 0.00 C ATOM 565 CD2 LEU A 39 3.149 6.334 -6.548 1.00 0.00 C ATOM 0 H LEU A 39 6.473 4.907 -3.433 1.00 0.00 H new ATOM 0 HA LEU A 39 4.854 7.370 -3.363 1.00 0.00 H new ATOM 0 HB2 LEU A 39 6.211 7.312 -5.457 1.00 0.00 H new ATOM 0 HB3 LEU A 39 5.533 5.741 -5.836 1.00 0.00 H new ATOM 0 HG LEU A 39 3.676 8.059 -5.408 1.00 0.00 H new ATOM 0 HD11 LEU A 39 3.859 8.636 -7.796 1.00 0.00 H new ATOM 0 HD12 LEU A 39 5.385 8.928 -6.928 1.00 0.00 H new ATOM 0 HD13 LEU A 39 5.212 7.492 -7.965 1.00 0.00 H new ATOM 0 HD21 LEU A 39 2.336 6.833 -7.076 1.00 0.00 H new ATOM 0 HD22 LEU A 39 3.630 5.618 -7.215 1.00 0.00 H new ATOM 0 HD23 LEU A 39 2.750 5.809 -5.680 1.00 0.00 H new ATOM 577 N LEU A 40 3.018 5.821 -2.766 1.00 0.00 N ATOM 578 CA LEU A 40 1.850 4.991 -2.492 1.00 0.00 C ATOM 579 C LEU A 40 0.582 5.638 -3.041 1.00 0.00 C ATOM 580 O LEU A 40 0.170 6.705 -2.586 1.00 0.00 O ATOM 581 CB LEU A 40 1.706 4.759 -0.987 1.00 0.00 C ATOM 582 CG LEU A 40 0.487 3.948 -0.546 1.00 0.00 C ATOM 583 CD1 LEU A 40 0.821 2.464 -0.501 1.00 0.00 C ATOM 584 CD2 LEU A 40 -0.010 4.426 0.810 1.00 0.00 C ATOM 0 H LEU A 40 3.068 6.675 -2.210 1.00 0.00 H new ATOM 0 HA LEU A 40 1.992 4.032 -2.990 1.00 0.00 H new ATOM 0 HB2 LEU A 40 2.603 4.252 -0.630 1.00 0.00 H new ATOM 0 HB3 LEU A 40 1.670 5.729 -0.492 1.00 0.00 H new ATOM 0 HG LEU A 40 -0.309 4.099 -1.276 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -0.058 1.903 -0.185 1.00 0.00 H new ATOM 0 HD12 LEU A 40 1.128 2.130 -1.492 1.00 0.00 H new ATOM 0 HD13 LEU A 40 1.633 2.295 0.207 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -0.878 3.837 1.108 1.00 0.00 H new ATOM 0 HD22 LEU A 40 0.781 4.306 1.550 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -0.290 5.477 0.745 1.00 0.00 H new ATOM 596 N SER A 41 -0.032 4.983 -4.021 1.00 0.00 N ATOM 597 CA SER A 41 -1.253 5.495 -4.634 1.00 0.00 C ATOM 598 C SER A 41 -2.363 4.450 -4.588 1.00 0.00 C ATOM 599 O SER A 41 -2.240 3.371 -5.168 1.00 0.00 O ATOM 600 CB SER A 41 -0.986 5.909 -6.083 1.00 0.00 C ATOM 601 OG SER A 41 -1.971 6.818 -6.543 1.00 0.00 O ATOM 0 H SER A 41 0.295 4.098 -4.408 1.00 0.00 H new ATOM 0 HA SER A 41 -1.576 6.368 -4.068 1.00 0.00 H new ATOM 0 HB2 SER A 41 -0.000 6.368 -6.158 1.00 0.00 H new ATOM 0 HB3 SER A 41 -0.976 5.025 -6.721 1.00 0.00 H new ATOM 0 HG SER A 41 -2.747 6.790 -5.945 1.00 0.00 H new ATOM 607 N PHE A 42 -3.448 4.779 -3.894 1.00 0.00 N ATOM 608 CA PHE A 42 -4.581 3.869 -3.770 1.00 0.00 C ATOM 609 C PHE A 42 -5.663 4.206 -4.793 1.00 0.00 C ATOM 610 O PHE A 42 -6.207 5.310 -4.796 1.00 0.00 O ATOM 611 CB PHE A 42 -5.162 3.934 -2.356 1.00 0.00 C ATOM 612 CG PHE A 42 -5.756 5.270 -2.013 1.00 0.00 C ATOM 613 CD1 PHE A 42 -7.088 5.541 -2.280 1.00 0.00 C ATOM 614 CD2 PHE A 42 -4.981 6.256 -1.422 1.00 0.00 C ATOM 615 CE1 PHE A 42 -7.637 6.769 -1.965 1.00 0.00 C ATOM 616 CE2 PHE A 42 -5.525 7.486 -1.104 1.00 0.00 C ATOM 617 CZ PHE A 42 -6.855 7.744 -1.377 1.00 0.00 C ATOM 0 H PHE A 42 -3.566 5.669 -3.409 1.00 0.00 H new ATOM 0 HA PHE A 42 -4.225 2.857 -3.963 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -5.929 3.167 -2.251 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -4.376 3.699 -1.638 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -7.705 4.783 -2.740 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -3.941 6.061 -1.208 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -8.677 6.967 -2.178 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -4.911 8.245 -0.642 1.00 0.00 H new ATOM 0 HZ PHE A 42 -7.282 8.705 -1.131 1.00 0.00 H new ATOM 627 N HIS A 43 -5.969 3.245 -5.659 1.00 0.00 N ATOM 628 CA HIS A 43 -6.985 3.439 -6.687 1.00 0.00 C ATOM 629 C HIS A 43 -8.229 2.608 -6.385 1.00 0.00 C ATOM 630 O HIS A 43 -8.163 1.381 -6.297 1.00 0.00 O ATOM 631 CB HIS A 43 -6.429 3.064 -8.061 1.00 0.00 C ATOM 632 CG HIS A 43 -6.692 1.641 -8.446 1.00 0.00 C ATOM 633 ND1 HIS A 43 -6.123 0.567 -7.793 1.00 0.00 N ATOM 634 CD2 HIS A 43 -7.470 1.117 -9.422 1.00 0.00 C ATOM 635 CE1 HIS A 43 -6.538 -0.555 -8.352 1.00 0.00 C ATOM 636 NE2 HIS A 43 -7.357 -0.250 -9.343 1.00 0.00 N ATOM 0 H HIS A 43 -5.528 2.325 -5.669 1.00 0.00 H new ATOM 0 HA HIS A 43 -7.265 4.492 -6.692 1.00 0.00 H new ATOM 0 HB2 HIS A 43 -6.866 3.722 -8.812 1.00 0.00 H new ATOM 0 HB3 HIS A 43 -5.354 3.241 -8.069 1.00 0.00 H new ATOM 0 HD2 HIS A 43 -8.068 1.670 -10.131 1.00 0.00 H new ATOM 0 HE1 HIS A 43 -6.256 -1.553 -8.050 1.00 0.00 H new ATOM 0 HE2 HIS A 43 -7.829 -0.920 -9.950 1.00 0.00 H new ATOM 645 N THR A 44 -9.362 3.284 -6.225 1.00 0.00 N ATOM 646 CA THR A 44 -10.620 2.609 -5.930 1.00 0.00 C ATOM 647 C THR A 44 -11.101 1.796 -7.127 1.00 0.00 C ATOM 648 O THR A 44 -10.943 2.193 -8.282 1.00 0.00 O ATOM 649 CB THR A 44 -11.717 3.615 -5.533 1.00 0.00 C ATOM 650 OG1 THR A 44 -12.747 2.949 -4.794 1.00 0.00 O ATOM 651 CG2 THR A 44 -12.317 4.276 -6.764 1.00 0.00 C ATOM 0 H THR A 44 -9.434 4.299 -6.295 1.00 0.00 H new ATOM 0 HA THR A 44 -10.431 1.939 -5.091 1.00 0.00 H new ATOM 0 HB THR A 44 -11.263 4.387 -4.911 1.00 0.00 H new ATOM 0 HG1 THR A 44 -12.403 2.691 -3.913 1.00 0.00 H new ATOM 0 HG21 THR A 44 -13.089 4.982 -6.458 1.00 0.00 H new ATOM 0 HG22 THR A 44 -11.536 4.806 -7.309 1.00 0.00 H new ATOM 0 HG23 THR A 44 -12.756 3.514 -7.408 1.00 0.00 H new ATOM 659 N PRO A 45 -11.703 0.631 -6.847 1.00 0.00 N ATOM 660 CA PRO A 45 -12.221 -0.262 -7.888 1.00 0.00 C ATOM 661 C PRO A 45 -13.445 0.314 -8.591 1.00 0.00 C ATOM 662 O PRO A 45 -14.086 -0.359 -9.396 1.00 0.00 O ATOM 663 CB PRO A 45 -12.595 -1.529 -7.115 1.00 0.00 C ATOM 664 CG PRO A 45 -12.859 -1.061 -5.726 1.00 0.00 C ATOM 665 CD PRO A 45 -11.925 0.095 -5.494 1.00 0.00 C ATOM 0 HA PRO A 45 -11.492 -0.429 -8.681 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -13.474 -2.010 -7.545 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -11.787 -2.261 -7.140 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -13.898 -0.753 -5.609 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -12.680 -1.858 -5.005 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -12.366 0.842 -4.833 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -10.992 -0.228 -5.032 1.00 0.00 H new ATOM 704 N THR A 49 -9.031 7.548 -8.020 1.00 0.00 N ATOM 705 CA THR A 49 -7.655 7.229 -7.659 1.00 0.00 C ATOM 706 C THR A 49 -6.979 8.411 -6.973 1.00 0.00 C ATOM 707 O THR A 49 -7.248 9.566 -7.301 1.00 0.00 O ATOM 708 CB THR A 49 -6.829 6.827 -8.895 1.00 0.00 C ATOM 709 OG1 THR A 49 -7.457 5.730 -9.568 1.00 0.00 O ATOM 710 CG2 THR A 49 -5.413 6.440 -8.497 1.00 0.00 C ATOM 0 HA THR A 49 -7.696 6.386 -6.969 1.00 0.00 H new ATOM 0 HB THR A 49 -6.779 7.685 -9.566 1.00 0.00 H new ATOM 0 HG1 THR A 49 -8.428 5.784 -9.446 1.00 0.00 H new ATOM 0 HG21 THR A 49 -4.849 6.160 -9.387 1.00 0.00 H new ATOM 0 HG22 THR A 49 -4.928 7.286 -8.011 1.00 0.00 H new ATOM 0 HG23 THR A 49 -5.447 5.596 -7.808 1.00 0.00 H new ATOM 718 N GLN A 50 -6.102 8.113 -6.020 1.00 0.00 N ATOM 719 CA GLN A 50 -5.388 9.153 -5.288 1.00 0.00 C ATOM 720 C GLN A 50 -3.906 8.811 -5.164 1.00 0.00 C ATOM 721 O GLN A 50 -3.546 7.682 -4.834 1.00 0.00 O ATOM 722 CB GLN A 50 -5.998 9.339 -3.898 1.00 0.00 C ATOM 723 CG GLN A 50 -5.569 10.625 -3.212 1.00 0.00 C ATOM 724 CD GLN A 50 -6.568 11.095 -2.174 1.00 0.00 C ATOM 725 OE1 GLN A 50 -7.780 10.995 -2.372 1.00 0.00 O ATOM 726 NE2 GLN A 50 -6.066 11.610 -1.058 1.00 0.00 N ATOM 0 H GLN A 50 -5.869 7.161 -5.737 1.00 0.00 H new ATOM 0 HA GLN A 50 -5.483 10.085 -5.846 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -7.085 9.327 -3.983 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -5.718 8.492 -3.271 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -4.601 10.472 -2.735 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -5.436 11.405 -3.962 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -5.055 11.674 -0.935 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -6.691 11.942 -0.323 1.00 0.00 H new ATOM 735 N GLU A 51 -3.053 9.794 -5.432 1.00 0.00 N ATOM 736 CA GLU A 51 -1.610 9.596 -5.352 1.00 0.00 C ATOM 737 C GLU A 51 -1.024 10.345 -4.158 1.00 0.00 C ATOM 738 O GLU A 51 -1.303 11.527 -3.956 1.00 0.00 O ATOM 739 CB GLU A 51 -0.936 10.064 -6.643 1.00 0.00 C ATOM 740 CG GLU A 51 -0.934 9.017 -7.743 1.00 0.00 C ATOM 741 CD GLU A 51 -0.420 9.558 -9.063 1.00 0.00 C ATOM 742 OE1 GLU A 51 -0.395 10.796 -9.227 1.00 0.00 O ATOM 743 OE2 GLU A 51 -0.044 8.745 -9.932 1.00 0.00 O ATOM 0 H GLU A 51 -3.335 10.735 -5.706 1.00 0.00 H new ATOM 0 HA GLU A 51 -1.422 8.531 -5.219 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -1.444 10.958 -7.005 1.00 0.00 H new ATOM 0 HB3 GLU A 51 0.093 10.349 -6.423 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -0.316 8.173 -7.435 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -1.947 8.637 -7.880 1.00 0.00 H new ATOM 750 N ILE A 52 -0.212 9.648 -3.371 1.00 0.00 N ATOM 751 CA ILE A 52 0.413 10.246 -2.198 1.00 0.00 C ATOM 752 C ILE A 52 1.921 10.017 -2.202 1.00 0.00 C ATOM 753 O ILE A 52 2.388 8.889 -2.360 1.00 0.00 O ATOM 754 CB ILE A 52 -0.177 9.678 -0.894 1.00 0.00 C ATOM 755 CG1 ILE A 52 -1.681 9.954 -0.826 1.00 0.00 C ATOM 756 CG2 ILE A 52 0.532 10.275 0.313 1.00 0.00 C ATOM 757 CD1 ILE A 52 -2.395 9.149 0.237 1.00 0.00 C ATOM 0 H ILE A 52 0.029 8.669 -3.524 1.00 0.00 H new ATOM 0 HA ILE A 52 0.210 11.316 -2.243 1.00 0.00 H new ATOM 0 HB ILE A 52 -0.024 8.599 -0.883 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -1.839 11.015 -0.634 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -2.127 9.736 -1.796 1.00 0.00 H new ATOM 0 HG21 ILE A 52 0.104 9.864 1.227 1.00 0.00 H new ATOM 0 HG22 ILE A 52 1.594 10.032 0.268 1.00 0.00 H new ATOM 0 HG23 ILE A 52 0.407 11.358 0.309 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -3.457 9.395 0.228 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -2.268 8.086 0.035 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -1.976 9.385 1.215 1.00 0.00 H new ATOM 769 N LEU A 53 2.677 11.095 -2.026 1.00 0.00 N ATOM 770 CA LEU A 53 4.134 11.013 -2.007 1.00 0.00 C ATOM 771 C LEU A 53 4.647 10.760 -0.593 1.00 0.00 C ATOM 772 O LEU A 53 4.239 11.431 0.356 1.00 0.00 O ATOM 773 CB LEU A 53 4.744 12.301 -2.560 1.00 0.00 C ATOM 774 CG LEU A 53 6.147 12.178 -3.156 1.00 0.00 C ATOM 775 CD1 LEU A 53 6.436 13.344 -4.088 1.00 0.00 C ATOM 776 CD2 LEU A 53 7.191 12.104 -2.052 1.00 0.00 C ATOM 0 H LEU A 53 2.306 12.036 -1.894 1.00 0.00 H new ATOM 0 HA LEU A 53 4.434 10.176 -2.638 1.00 0.00 H new ATOM 0 HB2 LEU A 53 4.078 12.694 -3.328 1.00 0.00 H new ATOM 0 HB3 LEU A 53 4.775 13.038 -1.758 1.00 0.00 H new ATOM 0 HG LEU A 53 6.194 11.256 -3.736 1.00 0.00 H new ATOM 0 HD11 LEU A 53 7.439 13.239 -4.502 1.00 0.00 H new ATOM 0 HD12 LEU A 53 5.707 13.351 -4.899 1.00 0.00 H new ATOM 0 HD13 LEU A 53 6.369 14.279 -3.532 1.00 0.00 H new ATOM 0 HD21 LEU A 53 8.183 12.017 -2.495 1.00 0.00 H new ATOM 0 HD22 LEU A 53 7.143 13.008 -1.445 1.00 0.00 H new ATOM 0 HD23 LEU A 53 6.996 11.234 -1.425 1.00 0.00 H new ATOM 788 N LEU A 54 5.544 9.789 -0.460 1.00 0.00 N ATOM 789 CA LEU A 54 6.116 9.449 0.839 1.00 0.00 C ATOM 790 C LEU A 54 7.412 10.215 1.081 1.00 0.00 C ATOM 791 O LEU A 54 8.119 10.598 0.148 1.00 0.00 O ATOM 792 CB LEU A 54 6.376 7.944 0.925 1.00 0.00 C ATOM 793 CG LEU A 54 5.149 7.064 1.166 1.00 0.00 C ATOM 794 CD1 LEU A 54 4.529 7.370 2.520 1.00 0.00 C ATOM 795 CD2 LEU A 54 4.127 7.257 0.054 1.00 0.00 C ATOM 0 H LEU A 54 5.891 9.224 -1.235 1.00 0.00 H new ATOM 0 HA LEU A 54 5.399 9.733 1.610 1.00 0.00 H new ATOM 0 HB2 LEU A 54 6.851 7.624 -0.002 1.00 0.00 H new ATOM 0 HB3 LEU A 54 7.091 7.764 1.728 1.00 0.00 H new ATOM 0 HG LEU A 54 5.468 6.022 1.163 1.00 0.00 H new ATOM 0 HD11 LEU A 54 3.657 6.734 2.673 1.00 0.00 H new ATOM 0 HD12 LEU A 54 5.260 7.180 3.306 1.00 0.00 H new ATOM 0 HD13 LEU A 54 4.225 8.416 2.553 1.00 0.00 H new ATOM 0 HD21 LEU A 54 3.261 6.623 0.242 1.00 0.00 H new ATOM 0 HD22 LEU A 54 3.814 8.301 0.025 1.00 0.00 H new ATOM 0 HD23 LEU A 54 4.574 6.986 -0.902 1.00 0.00 H new ATOM 807 N PRO A 55 7.735 10.443 2.362 1.00 0.00 N ATOM 808 CA PRO A 55 8.949 11.163 2.757 1.00 0.00 C ATOM 809 C PRO A 55 10.215 10.359 2.480 1.00 0.00 C ATOM 810 O PRO A 55 11.313 10.912 2.421 1.00 0.00 O ATOM 811 CB PRO A 55 8.766 11.369 4.263 1.00 0.00 C ATOM 812 CG PRO A 55 7.858 10.267 4.688 1.00 0.00 C ATOM 813 CD PRO A 55 6.939 10.016 3.525 1.00 0.00 C ATOM 0 HA PRO A 55 9.073 12.091 2.198 1.00 0.00 H new ATOM 0 HB2 PRO A 55 9.720 11.321 4.788 1.00 0.00 H new ATOM 0 HB3 PRO A 55 8.332 12.345 4.479 1.00 0.00 H new ATOM 0 HG2 PRO A 55 8.424 9.370 4.939 1.00 0.00 H new ATOM 0 HG3 PRO A 55 7.294 10.547 5.578 1.00 0.00 H new ATOM 0 HD2 PRO A 55 6.657 8.965 3.455 1.00 0.00 H new ATOM 0 HD3 PRO A 55 6.016 10.589 3.612 1.00 0.00 H new ATOM 821 N GLY A 56 10.055 9.050 2.309 1.00 0.00 N ATOM 822 CA GLY A 56 11.193 8.192 2.039 1.00 0.00 C ATOM 823 C GLY A 56 11.909 7.763 3.305 1.00 0.00 C ATOM 824 O GLY A 56 13.030 8.194 3.570 1.00 0.00 O ATOM 0 H GLY A 56 9.157 8.569 2.353 1.00 0.00 H new ATOM 0 HA2 GLY A 56 10.857 7.308 1.498 1.00 0.00 H new ATOM 0 HA3 GLY A 56 11.893 8.716 1.389 1.00 0.00 H new ATOM 828 N GLY A 57 11.257 6.911 4.092 1.00 0.00 N ATOM 829 CA GLY A 57 11.853 6.439 5.328 1.00 0.00 C ATOM 830 C GLY A 57 10.814 6.073 6.369 1.00 0.00 C ATOM 831 O GLY A 57 10.884 6.526 7.512 1.00 0.00 O ATOM 0 H GLY A 57 10.327 6.540 3.895 1.00 0.00 H new ATOM 0 HA2 GLY A 57 12.475 5.569 5.119 1.00 0.00 H new ATOM 0 HA3 GLY A 57 12.509 7.211 5.730 1.00 0.00 H new ATOM 835 N ILE A 58 9.847 5.252 5.974 1.00 0.00 N ATOM 836 CA ILE A 58 8.789 4.826 6.882 1.00 0.00 C ATOM 837 C ILE A 58 8.377 3.384 6.608 1.00 0.00 C ATOM 838 O ILE A 58 8.712 2.817 5.567 1.00 0.00 O ATOM 839 CB ILE A 58 7.549 5.733 6.766 1.00 0.00 C ATOM 840 CG1 ILE A 58 6.705 5.328 5.556 1.00 0.00 C ATOM 841 CG2 ILE A 58 7.968 7.192 6.662 1.00 0.00 C ATOM 842 CD1 ILE A 58 5.456 6.164 5.383 1.00 0.00 C ATOM 0 H ILE A 58 9.774 4.869 5.032 1.00 0.00 H new ATOM 0 HA ILE A 58 9.191 4.901 7.892 1.00 0.00 H new ATOM 0 HB ILE A 58 6.943 5.612 7.664 1.00 0.00 H new ATOM 0 HG12 ILE A 58 7.314 5.408 4.655 1.00 0.00 H new ATOM 0 HG13 ILE A 58 6.420 4.281 5.656 1.00 0.00 H new ATOM 0 HG21 ILE A 58 7.081 7.820 6.581 1.00 0.00 H new ATOM 0 HG22 ILE A 58 8.531 7.473 7.552 1.00 0.00 H new ATOM 0 HG23 ILE A 58 8.592 7.329 5.779 1.00 0.00 H new ATOM 0 HD11 ILE A 58 4.907 5.821 4.506 1.00 0.00 H new ATOM 0 HD12 ILE A 58 4.826 6.065 6.267 1.00 0.00 H new ATOM 0 HD13 ILE A 58 5.734 7.210 5.251 1.00 0.00 H new ATOM 854 N THR A 59 7.646 2.793 7.548 1.00 0.00 N ATOM 855 CA THR A 59 7.187 1.417 7.409 1.00 0.00 C ATOM 856 C THR A 59 5.665 1.347 7.362 1.00 0.00 C ATOM 857 O THR A 59 5.084 0.262 7.371 1.00 0.00 O ATOM 858 CB THR A 59 7.695 0.536 8.565 1.00 0.00 C ATOM 859 OG1 THR A 59 7.234 1.056 9.817 1.00 0.00 O ATOM 860 CG2 THR A 59 9.215 0.469 8.568 1.00 0.00 C ATOM 0 H THR A 59 7.359 3.247 8.415 1.00 0.00 H new ATOM 0 HA THR A 59 7.594 1.041 6.470 1.00 0.00 H new ATOM 0 HB THR A 59 7.303 -0.471 8.423 1.00 0.00 H new ATOM 0 HG1 THR A 59 7.560 0.489 10.547 1.00 0.00 H new ATOM 0 HG21 THR A 59 9.550 -0.159 9.394 1.00 0.00 H new ATOM 0 HG22 THR A 59 9.562 0.045 7.626 1.00 0.00 H new ATOM 0 HG23 THR A 59 9.623 1.473 8.687 1.00 0.00 H new ATOM 868 N SER A 60 5.025 2.511 7.311 1.00 0.00 N ATOM 869 CA SER A 60 3.569 2.581 7.266 1.00 0.00 C ATOM 870 C SER A 60 3.100 4.022 7.087 1.00 0.00 C ATOM 871 O SER A 60 3.594 4.935 7.750 1.00 0.00 O ATOM 872 CB SER A 60 2.969 1.992 8.544 1.00 0.00 C ATOM 873 OG SER A 60 3.561 2.565 9.697 1.00 0.00 O ATOM 0 H SER A 60 5.492 3.418 7.300 1.00 0.00 H new ATOM 0 HA SER A 60 3.228 1.997 6.411 1.00 0.00 H new ATOM 0 HB2 SER A 60 1.893 2.167 8.559 1.00 0.00 H new ATOM 0 HB3 SER A 60 3.116 0.912 8.554 1.00 0.00 H new ATOM 0 HG SER A 60 3.159 2.173 10.500 1.00 0.00 H new ATOM 879 N HIS A 61 2.143 4.219 6.186 1.00 0.00 N ATOM 880 CA HIS A 61 1.606 5.548 5.920 1.00 0.00 C ATOM 881 C HIS A 61 0.096 5.579 6.140 1.00 0.00 C ATOM 882 O HIS A 61 -0.612 4.641 5.774 1.00 0.00 O ATOM 883 CB HIS A 61 1.933 5.976 4.489 1.00 0.00 C ATOM 884 CG HIS A 61 1.987 7.462 4.306 1.00 0.00 C ATOM 885 ND1 HIS A 61 1.277 8.126 3.328 1.00 0.00 N ATOM 886 CD2 HIS A 61 2.672 8.413 4.983 1.00 0.00 C ATOM 887 CE1 HIS A 61 1.524 9.421 3.411 1.00 0.00 C ATOM 888 NE2 HIS A 61 2.368 9.622 4.408 1.00 0.00 N ATOM 0 H HIS A 61 1.724 3.475 5.628 1.00 0.00 H new ATOM 0 HA HIS A 61 2.071 6.246 6.616 1.00 0.00 H new ATOM 0 HB2 HIS A 61 2.893 5.548 4.201 1.00 0.00 H new ATOM 0 HB3 HIS A 61 1.184 5.562 3.814 1.00 0.00 H new ATOM 0 HD2 HIS A 61 3.335 8.251 5.820 1.00 0.00 H new ATOM 0 HE1 HIS A 61 1.107 10.186 2.773 1.00 0.00 H new ATOM 0 HE2 HIS A 61 2.734 10.528 4.702 1.00 0.00 H new ATOM 897 N GLN A 62 -0.388 6.661 6.742 1.00 0.00 N ATOM 898 CA GLN A 62 -1.813 6.811 7.012 1.00 0.00 C ATOM 899 C GLN A 62 -2.534 7.412 5.810 1.00 0.00 C ATOM 900 O GLN A 62 -2.091 8.412 5.243 1.00 0.00 O ATOM 901 CB GLN A 62 -2.030 7.690 8.244 1.00 0.00 C ATOM 902 CG GLN A 62 -3.485 8.062 8.478 1.00 0.00 C ATOM 903 CD GLN A 62 -4.318 6.888 8.954 1.00 0.00 C ATOM 904 OE1 GLN A 62 -4.112 6.371 10.052 1.00 0.00 O ATOM 905 NE2 GLN A 62 -5.266 6.461 8.128 1.00 0.00 N ATOM 0 H GLN A 62 0.185 7.446 7.052 1.00 0.00 H new ATOM 0 HA GLN A 62 -2.227 5.821 7.203 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -1.651 7.169 9.123 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -1.443 8.602 8.137 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -3.537 8.863 9.216 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -3.910 8.453 7.553 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -5.402 6.919 7.227 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -5.858 5.675 8.395 1.00 0.00 H new ATOM 914 N LEU A 63 -3.647 6.797 5.426 1.00 0.00 N ATOM 915 CA LEU A 63 -4.430 7.271 4.290 1.00 0.00 C ATOM 916 C LEU A 63 -5.706 7.964 4.760 1.00 0.00 C ATOM 917 O LEU A 63 -6.376 7.496 5.681 1.00 0.00 O ATOM 918 CB LEU A 63 -4.781 6.105 3.365 1.00 0.00 C ATOM 919 CG LEU A 63 -3.598 5.360 2.746 1.00 0.00 C ATOM 920 CD1 LEU A 63 -4.041 4.007 2.210 1.00 0.00 C ATOM 921 CD2 LEU A 63 -2.963 6.191 1.641 1.00 0.00 C ATOM 0 H LEU A 63 -4.028 5.969 5.884 1.00 0.00 H new ATOM 0 HA LEU A 63 -3.827 7.994 3.740 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -5.381 5.390 3.927 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -5.409 6.484 2.558 1.00 0.00 H new ATOM 0 HG LEU A 63 -2.851 5.194 3.523 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -3.186 3.491 1.773 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -4.448 3.409 3.025 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -4.806 4.151 1.447 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -2.123 5.645 1.212 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -3.702 6.389 0.864 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -2.609 7.136 2.054 1.00 0.00 H new ATOM 933 N LEU A 64 -6.036 9.081 4.120 1.00 0.00 N ATOM 934 CA LEU A 64 -7.233 9.838 4.471 1.00 0.00 C ATOM 935 C LEU A 64 -8.248 9.809 3.332 1.00 0.00 C ATOM 936 O LEU A 64 -7.985 9.254 2.266 1.00 0.00 O ATOM 937 CB LEU A 64 -6.865 11.284 4.805 1.00 0.00 C ATOM 938 CG LEU A 64 -5.551 11.485 5.560 1.00 0.00 C ATOM 939 CD1 LEU A 64 -5.485 10.568 6.771 1.00 0.00 C ATOM 940 CD2 LEU A 64 -4.364 11.242 4.639 1.00 0.00 C ATOM 0 H LEU A 64 -5.492 9.482 3.356 1.00 0.00 H new ATOM 0 HA LEU A 64 -7.684 9.373 5.347 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -6.816 11.850 3.874 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -7.671 11.715 5.398 1.00 0.00 H new ATOM 0 HG LEU A 64 -5.509 12.517 5.909 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -4.543 10.725 7.296 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -6.315 10.790 7.441 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -5.550 9.530 6.445 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -3.437 11.390 5.193 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -4.401 10.221 4.259 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -4.402 11.941 3.804 1.00 0.00 H new ATOM 952 N GLY A 65 -9.409 10.413 3.566 1.00 0.00 N ATOM 953 CA GLY A 65 -10.445 10.447 2.551 1.00 0.00 C ATOM 954 C GLY A 65 -10.762 9.071 1.999 1.00 0.00 C ATOM 955 O GLY A 65 -10.195 8.654 0.988 1.00 0.00 O ATOM 0 H GLY A 65 -9.650 10.879 4.440 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -11.350 10.882 2.975 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -10.129 11.098 1.736 1.00 0.00 H new ATOM 959 N LEU A 66 -11.668 8.363 2.664 1.00 0.00 N ATOM 960 CA LEU A 66 -12.058 7.025 2.235 1.00 0.00 C ATOM 961 C LEU A 66 -13.569 6.839 2.335 1.00 0.00 C ATOM 962 O LEU A 66 -14.212 7.375 3.238 1.00 0.00 O ATOM 963 CB LEU A 66 -11.346 5.968 3.081 1.00 0.00 C ATOM 964 CG LEU A 66 -9.828 6.116 3.201 1.00 0.00 C ATOM 965 CD1 LEU A 66 -9.277 5.139 4.228 1.00 0.00 C ATOM 966 CD2 LEU A 66 -9.164 5.903 1.849 1.00 0.00 C ATOM 0 H LEU A 66 -12.146 8.693 3.502 1.00 0.00 H new ATOM 0 HA LEU A 66 -11.764 6.905 1.192 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -11.773 5.986 4.084 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -11.563 4.987 2.659 1.00 0.00 H new ATOM 0 HG LEU A 66 -9.605 7.129 3.537 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -8.196 5.258 4.300 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -9.730 5.338 5.199 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -9.510 4.119 3.922 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -8.084 6.012 1.953 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -9.394 4.902 1.484 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -9.537 6.642 1.140 1.00 0.00 H new ATOM 978 N PHE A 67 -14.129 6.075 1.403 1.00 0.00 N ATOM 979 CA PHE A 67 -15.564 5.817 1.388 1.00 0.00 C ATOM 980 C PHE A 67 -15.910 4.613 2.259 1.00 0.00 C ATOM 981 O PHE A 67 -15.093 3.719 2.479 1.00 0.00 O ATOM 982 CB PHE A 67 -16.045 5.579 -0.045 1.00 0.00 C ATOM 983 CG PHE A 67 -15.895 6.780 -0.935 1.00 0.00 C ATOM 984 CD1 PHE A 67 -16.195 8.049 -0.466 1.00 0.00 C ATOM 985 CD2 PHE A 67 -15.453 6.640 -2.241 1.00 0.00 C ATOM 986 CE1 PHE A 67 -16.058 9.155 -1.283 1.00 0.00 C ATOM 987 CE2 PHE A 67 -15.313 7.743 -3.062 1.00 0.00 C ATOM 988 CZ PHE A 67 -15.616 9.002 -2.582 1.00 0.00 C ATOM 0 H PHE A 67 -13.611 5.624 0.649 1.00 0.00 H new ATOM 0 HA PHE A 67 -16.070 6.693 1.794 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -15.486 4.747 -0.474 1.00 0.00 H new ATOM 0 HB3 PHE A 67 -17.093 5.282 -0.023 1.00 0.00 H new ATOM 0 HD1 PHE A 67 -16.540 8.175 0.550 1.00 0.00 H new ATOM 0 HD2 PHE A 67 -15.215 5.658 -2.622 1.00 0.00 H new ATOM 0 HE1 PHE A 67 -16.297 10.138 -0.906 1.00 0.00 H new ATOM 0 HE2 PHE A 67 -14.967 7.620 -4.078 1.00 0.00 H new ATOM 0 HZ PHE A 67 -15.507 9.865 -3.222 1.00 0.00 H new ATOM 998 N PRO A 68 -17.151 4.588 2.767 1.00 0.00 N ATOM 999 CA PRO A 68 -17.635 3.500 3.622 1.00 0.00 C ATOM 1000 C PRO A 68 -17.819 2.197 2.853 1.00 0.00 C ATOM 1001 O PRO A 68 -18.421 2.177 1.779 1.00 0.00 O ATOM 1002 CB PRO A 68 -18.984 4.018 4.126 1.00 0.00 C ATOM 1003 CG PRO A 68 -19.430 4.987 3.086 1.00 0.00 C ATOM 1004 CD PRO A 68 -18.178 5.620 2.545 1.00 0.00 C ATOM 0 HA PRO A 68 -16.929 3.263 4.418 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -19.701 3.206 4.244 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -18.885 4.499 5.099 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -19.985 4.483 2.295 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -20.094 5.739 3.512 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -18.277 5.868 1.488 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -17.937 6.546 3.068 1.00 0.00 H new ATOM 1012 N SER A 69 -17.296 1.108 3.409 1.00 0.00 N ATOM 1013 CA SER A 69 -17.400 -0.200 2.773 1.00 0.00 C ATOM 1014 C SER A 69 -16.888 -0.148 1.337 1.00 0.00 C ATOM 1015 O SER A 69 -17.374 -0.870 0.465 1.00 0.00 O ATOM 1016 CB SER A 69 -18.850 -0.686 2.793 1.00 0.00 C ATOM 1017 OG SER A 69 -18.939 -2.042 2.390 1.00 0.00 O ATOM 0 H SER A 69 -16.796 1.106 4.298 1.00 0.00 H new ATOM 0 HA SER A 69 -16.782 -0.900 3.335 1.00 0.00 H new ATOM 0 HB2 SER A 69 -19.261 -0.574 3.796 1.00 0.00 H new ATOM 0 HB3 SER A 69 -19.454 -0.066 2.130 1.00 0.00 H new ATOM 0 HG SER A 69 -18.500 -2.155 1.521 1.00 0.00 H new ATOM 1023 N THR A 70 -15.903 0.712 1.097 1.00 0.00 N ATOM 1024 CA THR A 70 -15.325 0.860 -0.232 1.00 0.00 C ATOM 1025 C THR A 70 -13.922 0.268 -0.291 1.00 0.00 C ATOM 1026 O THR A 70 -12.991 0.791 0.321 1.00 0.00 O ATOM 1027 CB THR A 70 -15.264 2.340 -0.656 1.00 0.00 C ATOM 1028 OG1 THR A 70 -16.588 2.853 -0.837 1.00 0.00 O ATOM 1029 CG2 THR A 70 -14.472 2.501 -1.945 1.00 0.00 C ATOM 0 H THR A 70 -15.489 1.317 1.807 1.00 0.00 H new ATOM 0 HA THR A 70 -15.974 0.318 -0.921 1.00 0.00 H new ATOM 0 HB THR A 70 -14.763 2.901 0.133 1.00 0.00 H new ATOM 0 HG1 THR A 70 -17.131 2.644 -0.048 1.00 0.00 H new ATOM 0 HG21 THR A 70 -14.442 3.554 -2.225 1.00 0.00 H new ATOM 0 HG22 THR A 70 -13.456 2.137 -1.795 1.00 0.00 H new ATOM 0 HG23 THR A 70 -14.950 1.928 -2.740 1.00 0.00 H new ATOM 1037 N SER A 71 -13.776 -0.826 -1.032 1.00 0.00 N ATOM 1038 CA SER A 71 -12.486 -1.491 -1.168 1.00 0.00 C ATOM 1039 C SER A 71 -11.492 -0.602 -1.909 1.00 0.00 C ATOM 1040 O SER A 71 -11.846 0.071 -2.878 1.00 0.00 O ATOM 1041 CB SER A 71 -12.649 -2.820 -1.908 1.00 0.00 C ATOM 1042 OG SER A 71 -11.469 -3.599 -1.824 1.00 0.00 O ATOM 0 H SER A 71 -14.536 -1.270 -1.547 1.00 0.00 H new ATOM 0 HA SER A 71 -12.098 -1.685 -0.168 1.00 0.00 H new ATOM 0 HB2 SER A 71 -13.486 -3.375 -1.484 1.00 0.00 H new ATOM 0 HB3 SER A 71 -12.889 -2.630 -2.954 1.00 0.00 H new ATOM 0 HG SER A 71 -11.600 -4.444 -2.303 1.00 0.00 H new ATOM 1048 N TYR A 72 -10.247 -0.605 -1.446 1.00 0.00 N ATOM 1049 CA TYR A 72 -9.201 0.202 -2.063 1.00 0.00 C ATOM 1050 C TYR A 72 -7.955 -0.635 -2.335 1.00 0.00 C ATOM 1051 O TYR A 72 -7.662 -1.586 -1.610 1.00 0.00 O ATOM 1052 CB TYR A 72 -8.846 1.387 -1.163 1.00 0.00 C ATOM 1053 CG TYR A 72 -9.856 2.511 -1.214 1.00 0.00 C ATOM 1054 CD1 TYR A 72 -9.866 3.416 -2.267 1.00 0.00 C ATOM 1055 CD2 TYR A 72 -10.803 2.666 -0.209 1.00 0.00 C ATOM 1056 CE1 TYR A 72 -10.787 4.444 -2.317 1.00 0.00 C ATOM 1057 CE2 TYR A 72 -11.729 3.690 -0.251 1.00 0.00 C ATOM 1058 CZ TYR A 72 -11.717 4.577 -1.307 1.00 0.00 C ATOM 1059 OH TYR A 72 -12.637 5.599 -1.354 1.00 0.00 O ATOM 0 H TYR A 72 -9.938 -1.157 -0.646 1.00 0.00 H new ATOM 0 HA TYR A 72 -9.579 0.576 -3.014 1.00 0.00 H new ATOM 0 HB2 TYR A 72 -8.756 1.037 -0.135 1.00 0.00 H new ATOM 0 HB3 TYR A 72 -7.870 1.774 -1.454 1.00 0.00 H new ATOM 0 HD1 TYR A 72 -9.141 3.314 -3.061 1.00 0.00 H new ATOM 0 HD2 TYR A 72 -10.815 1.973 0.620 1.00 0.00 H new ATOM 0 HE1 TYR A 72 -10.779 5.140 -3.143 1.00 0.00 H new ATOM 0 HE2 TYR A 72 -12.458 3.795 0.539 1.00 0.00 H new ATOM 0 HH TYR A 72 -13.378 5.345 -1.943 1.00 0.00 H new ATOM 1069 N ASN A 73 -7.225 -0.274 -3.385 1.00 0.00 N ATOM 1070 CA ASN A 73 -6.010 -0.991 -3.754 1.00 0.00 C ATOM 1071 C ASN A 73 -4.795 -0.070 -3.695 1.00 0.00 C ATOM 1072 O ASN A 73 -4.617 0.794 -4.553 1.00 0.00 O ATOM 1073 CB ASN A 73 -6.148 -1.582 -5.158 1.00 0.00 C ATOM 1074 CG ASN A 73 -5.135 -2.679 -5.427 1.00 0.00 C ATOM 1075 OD1 ASN A 73 -4.152 -2.822 -4.700 1.00 0.00 O ATOM 1076 ND2 ASN A 73 -5.372 -3.458 -6.476 1.00 0.00 N ATOM 0 H ASN A 73 -7.454 0.511 -3.995 1.00 0.00 H new ATOM 0 HA ASN A 73 -5.865 -1.801 -3.039 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -7.154 -1.982 -5.283 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -6.026 -0.789 -5.896 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -4.726 -4.212 -6.707 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -6.200 -3.302 -7.050 1.00 0.00 H new ATOM 1083 N ALA A 74 -3.962 -0.262 -2.678 1.00 0.00 N ATOM 1084 CA ALA A 74 -2.763 0.549 -2.509 1.00 0.00 C ATOM 1085 C ALA A 74 -1.601 -0.013 -3.321 1.00 0.00 C ATOM 1086 O ALA A 74 -1.456 -1.228 -3.456 1.00 0.00 O ATOM 1087 CB ALA A 74 -2.388 0.636 -1.037 1.00 0.00 C ATOM 0 H ALA A 74 -4.096 -0.972 -1.958 1.00 0.00 H new ATOM 0 HA ALA A 74 -2.978 1.552 -2.878 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -1.491 1.245 -0.925 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -3.207 1.091 -0.479 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -2.198 -0.365 -0.650 1.00 0.00 H new ATOM 1093 N ARG A 75 -0.776 0.879 -3.859 1.00 0.00 N ATOM 1094 CA ARG A 75 0.373 0.471 -4.660 1.00 0.00 C ATOM 1095 C ARG A 75 1.644 1.165 -4.180 1.00 0.00 C ATOM 1096 O ARG A 75 1.829 2.364 -4.396 1.00 0.00 O ATOM 1097 CB ARG A 75 0.131 0.791 -6.136 1.00 0.00 C ATOM 1098 CG ARG A 75 1.167 0.184 -7.068 1.00 0.00 C ATOM 1099 CD ARG A 75 2.337 1.129 -7.292 1.00 0.00 C ATOM 1100 NE ARG A 75 2.084 2.063 -8.386 1.00 0.00 N ATOM 1101 CZ ARG A 75 2.082 1.712 -9.667 1.00 0.00 C ATOM 1102 NH1 ARG A 75 2.317 0.454 -10.013 1.00 0.00 N ATOM 1103 NH2 ARG A 75 1.843 2.620 -10.605 1.00 0.00 N ATOM 0 H ARG A 75 -0.881 1.888 -3.755 1.00 0.00 H new ATOM 0 HA ARG A 75 0.502 -0.605 -4.544 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -0.857 0.430 -6.420 1.00 0.00 H new ATOM 0 HB3 ARG A 75 0.125 1.873 -6.268 1.00 0.00 H new ATOM 0 HG2 ARG A 75 1.531 -0.754 -6.648 1.00 0.00 H new ATOM 0 HG3 ARG A 75 0.702 -0.054 -8.025 1.00 0.00 H new ATOM 0 HD2 ARG A 75 2.533 1.687 -6.376 1.00 0.00 H new ATOM 0 HD3 ARG A 75 3.234 0.550 -7.510 1.00 0.00 H new ATOM 0 HE ARG A 75 1.899 3.039 -8.153 1.00 0.00 H new ATOM 0 HH11 ARG A 75 2.500 -0.247 -9.295 1.00 0.00 H new ATOM 0 HH12 ARG A 75 2.315 0.187 -10.997 1.00 0.00 H new ATOM 0 HH21 ARG A 75 1.661 3.589 -10.342 1.00 0.00 H new ATOM 0 HH22 ARG A 75 1.842 2.349 -11.588 1.00 0.00 H new ATOM 1117 N LEU A 76 2.516 0.405 -3.527 1.00 0.00 N ATOM 1118 CA LEU A 76 3.770 0.947 -3.015 1.00 0.00 C ATOM 1119 C LEU A 76 4.903 0.735 -4.015 1.00 0.00 C ATOM 1120 O LEU A 76 5.289 -0.399 -4.297 1.00 0.00 O ATOM 1121 CB LEU A 76 4.124 0.291 -1.679 1.00 0.00 C ATOM 1122 CG LEU A 76 5.326 0.880 -0.940 1.00 0.00 C ATOM 1123 CD1 LEU A 76 4.923 2.135 -0.181 1.00 0.00 C ATOM 1124 CD2 LEU A 76 5.927 -0.148 0.006 1.00 0.00 C ATOM 0 H LEU A 76 2.378 -0.588 -3.340 1.00 0.00 H new ATOM 0 HA LEU A 76 3.640 2.018 -2.863 1.00 0.00 H new ATOM 0 HB2 LEU A 76 3.254 0.353 -1.025 1.00 0.00 H new ATOM 0 HB3 LEU A 76 4.315 -0.768 -1.856 1.00 0.00 H new ATOM 0 HG LEU A 76 6.083 1.152 -1.676 1.00 0.00 H new ATOM 0 HD11 LEU A 76 5.791 2.540 0.339 1.00 0.00 H new ATOM 0 HD12 LEU A 76 4.541 2.877 -0.882 1.00 0.00 H new ATOM 0 HD13 LEU A 76 4.148 1.888 0.545 1.00 0.00 H new ATOM 0 HD21 LEU A 76 6.781 0.289 0.523 1.00 0.00 H new ATOM 0 HD22 LEU A 76 5.177 -0.452 0.736 1.00 0.00 H new ATOM 0 HD23 LEU A 76 6.254 -1.019 -0.563 1.00 0.00 H new ATOM 1136 N GLN A 77 5.431 1.834 -4.545 1.00 0.00 N ATOM 1137 CA GLN A 77 6.520 1.767 -5.511 1.00 0.00 C ATOM 1138 C GLN A 77 7.654 2.709 -5.119 1.00 0.00 C ATOM 1139 O GLN A 77 7.493 3.929 -5.128 1.00 0.00 O ATOM 1140 CB GLN A 77 6.011 2.119 -6.910 1.00 0.00 C ATOM 1141 CG GLN A 77 6.790 1.445 -8.028 1.00 0.00 C ATOM 1142 CD GLN A 77 6.558 2.098 -9.377 1.00 0.00 C ATOM 1143 OE1 GLN A 77 5.976 3.180 -9.464 1.00 0.00 O ATOM 1144 NE2 GLN A 77 7.012 1.442 -10.438 1.00 0.00 N ATOM 0 H GLN A 77 5.122 2.780 -4.322 1.00 0.00 H new ATOM 0 HA GLN A 77 6.904 0.747 -5.517 1.00 0.00 H new ATOM 0 HB2 GLN A 77 4.961 1.836 -6.988 1.00 0.00 H new ATOM 0 HB3 GLN A 77 6.060 3.200 -7.044 1.00 0.00 H new ATOM 0 HG2 GLN A 77 7.854 1.474 -7.793 1.00 0.00 H new ATOM 0 HG3 GLN A 77 6.504 0.395 -8.083 1.00 0.00 H new ATOM 0 HE21 GLN A 77 7.489 0.548 -10.319 1.00 0.00 H new ATOM 0 HE22 GLN A 77 6.884 1.832 -11.372 1.00 0.00 H new ATOM 1153 N ALA A 78 8.802 2.133 -4.774 1.00 0.00 N ATOM 1154 CA ALA A 78 9.963 2.921 -4.380 1.00 0.00 C ATOM 1155 C ALA A 78 10.808 3.298 -5.592 1.00 0.00 C ATOM 1156 O ALA A 78 10.880 2.550 -6.566 1.00 0.00 O ATOM 1157 CB ALA A 78 10.801 2.155 -3.367 1.00 0.00 C ATOM 0 H ALA A 78 8.952 1.124 -4.760 1.00 0.00 H new ATOM 0 HA ALA A 78 9.607 3.842 -3.918 1.00 0.00 H new ATOM 0 HB1 ALA A 78 11.665 2.755 -3.081 1.00 0.00 H new ATOM 0 HB2 ALA A 78 10.199 1.942 -2.484 1.00 0.00 H new ATOM 0 HB3 ALA A 78 11.140 1.218 -3.809 1.00 0.00 H new ATOM 1163 N MET A 79 11.445 4.462 -5.524 1.00 0.00 N ATOM 1164 CA MET A 79 12.285 4.938 -6.617 1.00 0.00 C ATOM 1165 C MET A 79 13.719 4.443 -6.455 1.00 0.00 C ATOM 1166 O MET A 79 14.393 4.775 -5.479 1.00 0.00 O ATOM 1167 CB MET A 79 12.264 6.466 -6.678 1.00 0.00 C ATOM 1168 CG MET A 79 10.863 7.054 -6.715 1.00 0.00 C ATOM 1169 SD MET A 79 10.851 8.794 -7.187 1.00 0.00 S ATOM 1170 CE MET A 79 10.344 9.558 -5.649 1.00 0.00 C ATOM 0 H MET A 79 11.396 5.093 -4.724 1.00 0.00 H new ATOM 0 HA MET A 79 11.885 4.540 -7.549 1.00 0.00 H new ATOM 0 HB2 MET A 79 12.793 6.863 -5.812 1.00 0.00 H new ATOM 0 HB3 MET A 79 12.810 6.794 -7.563 1.00 0.00 H new ATOM 0 HG2 MET A 79 10.254 6.487 -7.419 1.00 0.00 H new ATOM 0 HG3 MET A 79 10.402 6.945 -5.734 1.00 0.00 H new ATOM 0 HE1 MET A 79 10.290 10.639 -5.780 1.00 0.00 H new ATOM 0 HE2 MET A 79 9.364 9.178 -5.360 1.00 0.00 H new ATOM 0 HE3 MET A 79 11.069 9.323 -4.870 1.00 0.00 H new ATOM 1180 N TRP A 80 14.179 3.650 -7.416 1.00 0.00 N ATOM 1181 CA TRP A 80 15.533 3.110 -7.378 1.00 0.00 C ATOM 1182 C TRP A 80 16.336 3.569 -8.591 1.00 0.00 C ATOM 1183 O TRP A 80 16.168 3.047 -9.692 1.00 0.00 O ATOM 1184 CB TRP A 80 15.494 1.582 -7.325 1.00 0.00 C ATOM 1185 CG TRP A 80 15.412 1.038 -5.931 1.00 0.00 C ATOM 1186 CD1 TRP A 80 16.434 0.933 -5.031 1.00 0.00 C ATOM 1187 CD2 TRP A 80 14.246 0.522 -5.280 1.00 0.00 C ATOM 1188 NE1 TRP A 80 15.973 0.383 -3.859 1.00 0.00 N ATOM 1189 CE2 TRP A 80 14.634 0.123 -3.986 1.00 0.00 C ATOM 1190 CE3 TRP A 80 12.912 0.360 -5.663 1.00 0.00 C ATOM 1191 CZ2 TRP A 80 13.736 -0.427 -3.076 1.00 0.00 C ATOM 1192 CZ3 TRP A 80 12.021 -0.186 -4.759 1.00 0.00 C ATOM 1193 CH2 TRP A 80 12.436 -0.574 -3.478 1.00 0.00 C ATOM 0 H TRP A 80 13.635 3.367 -8.231 1.00 0.00 H new ATOM 0 HA TRP A 80 16.022 3.485 -6.479 1.00 0.00 H new ATOM 0 HB2 TRP A 80 14.636 1.228 -7.897 1.00 0.00 H new ATOM 0 HB3 TRP A 80 16.386 1.186 -7.810 1.00 0.00 H new ATOM 0 HD1 TRP A 80 17.454 1.237 -5.213 1.00 0.00 H new ATOM 0 HE1 TRP A 80 16.536 0.198 -3.029 1.00 0.00 H new ATOM 0 HE3 TRP A 80 12.583 0.656 -6.648 1.00 0.00 H new ATOM 0 HZ2 TRP A 80 14.054 -0.727 -2.088 1.00 0.00 H new ATOM 0 HZ3 TRP A 80 10.988 -0.316 -5.044 1.00 0.00 H new ATOM 0 HH2 TRP A 80 11.715 -0.998 -2.794 1.00 0.00 H new ATOM 1204 N GLY A 81 17.210 4.549 -8.380 1.00 0.00 N ATOM 1205 CA GLY A 81 18.026 5.060 -9.466 1.00 0.00 C ATOM 1206 C GLY A 81 17.216 5.346 -10.715 1.00 0.00 C ATOM 1207 O GLY A 81 16.469 6.323 -10.767 1.00 0.00 O ATOM 0 H GLY A 81 17.367 4.998 -7.477 1.00 0.00 H new ATOM 0 HA2 GLY A 81 18.524 5.974 -9.143 1.00 0.00 H new ATOM 0 HA3 GLY A 81 18.807 4.337 -9.701 1.00 0.00 H new ATOM 1211 N GLN A 82 17.365 4.493 -11.723 1.00 0.00 N ATOM 1212 CA GLN A 82 16.643 4.662 -12.978 1.00 0.00 C ATOM 1213 C GLN A 82 15.552 3.605 -13.125 1.00 0.00 C ATOM 1214 O GLN A 82 14.555 3.820 -13.813 1.00 0.00 O ATOM 1215 CB GLN A 82 17.609 4.582 -14.162 1.00 0.00 C ATOM 1216 CG GLN A 82 18.235 5.918 -14.527 1.00 0.00 C ATOM 1217 CD GLN A 82 18.724 5.960 -15.961 1.00 0.00 C ATOM 1218 OE1 GLN A 82 19.122 4.940 -16.525 1.00 0.00 O ATOM 1219 NE2 GLN A 82 18.696 7.145 -16.562 1.00 0.00 N ATOM 0 H GLN A 82 17.979 3.679 -11.695 1.00 0.00 H new ATOM 0 HA GLN A 82 16.173 5.645 -12.968 1.00 0.00 H new ATOM 0 HB2 GLN A 82 18.401 3.871 -13.927 1.00 0.00 H new ATOM 0 HB3 GLN A 82 17.077 4.191 -15.029 1.00 0.00 H new ATOM 0 HG2 GLN A 82 17.504 6.712 -14.373 1.00 0.00 H new ATOM 0 HG3 GLN A 82 19.070 6.119 -13.856 1.00 0.00 H new ATOM 0 HE21 GLN A 82 18.358 7.965 -16.058 1.00 0.00 H new ATOM 0 HE22 GLN A 82 19.012 7.235 -17.528 1.00 0.00 H new ATOM 1228 N SER A 83 15.750 2.464 -12.473 1.00 0.00 N ATOM 1229 CA SER A 83 14.785 1.372 -12.534 1.00 0.00 C ATOM 1230 C SER A 83 13.697 1.549 -11.479 1.00 0.00 C ATOM 1231 O SER A 83 13.877 2.274 -10.500 1.00 0.00 O ATOM 1232 CB SER A 83 15.490 0.029 -12.335 1.00 0.00 C ATOM 1233 OG SER A 83 16.181 -0.363 -13.509 1.00 0.00 O ATOM 0 H SER A 83 16.569 2.271 -11.897 1.00 0.00 H new ATOM 0 HA SER A 83 14.318 1.387 -13.519 1.00 0.00 H new ATOM 0 HB2 SER A 83 16.191 0.102 -11.504 1.00 0.00 H new ATOM 0 HB3 SER A 83 14.758 -0.733 -12.068 1.00 0.00 H new ATOM 0 HG SER A 83 16.625 -1.223 -13.356 1.00 0.00 H new ATOM 1239 N LEU A 84 12.567 0.882 -11.686 1.00 0.00 N ATOM 1240 CA LEU A 84 11.448 0.964 -10.754 1.00 0.00 C ATOM 1241 C LEU A 84 11.014 -0.426 -10.300 1.00 0.00 C ATOM 1242 O LEU A 84 10.103 -1.022 -10.877 1.00 0.00 O ATOM 1243 CB LEU A 84 10.270 1.693 -11.403 1.00 0.00 C ATOM 1244 CG LEU A 84 10.508 3.157 -11.772 1.00 0.00 C ATOM 1245 CD1 LEU A 84 9.488 3.621 -12.802 1.00 0.00 C ATOM 1246 CD2 LEU A 84 10.452 4.036 -10.531 1.00 0.00 C ATOM 0 H LEU A 84 12.401 0.278 -12.491 1.00 0.00 H new ATOM 0 HA LEU A 84 11.776 1.525 -9.879 1.00 0.00 H new ATOM 0 HB2 LEU A 84 9.988 1.153 -12.307 1.00 0.00 H new ATOM 0 HB3 LEU A 84 9.419 1.644 -10.723 1.00 0.00 H new ATOM 0 HG LEU A 84 11.502 3.244 -12.210 1.00 0.00 H new ATOM 0 HD11 LEU A 84 9.673 4.666 -13.052 1.00 0.00 H new ATOM 0 HD12 LEU A 84 9.576 3.011 -13.701 1.00 0.00 H new ATOM 0 HD13 LEU A 84 8.484 3.519 -12.391 1.00 0.00 H new ATOM 0 HD21 LEU A 84 10.624 5.075 -10.813 1.00 0.00 H new ATOM 0 HD22 LEU A 84 9.471 3.944 -10.064 1.00 0.00 H new ATOM 0 HD23 LEU A 84 11.221 3.720 -9.826 1.00 0.00 H new ATOM 1258 N LEU A 85 11.669 -0.936 -9.263 1.00 0.00 N ATOM 1259 CA LEU A 85 11.349 -2.255 -8.730 1.00 0.00 C ATOM 1260 C LEU A 85 9.847 -2.512 -8.778 1.00 0.00 C ATOM 1261 O LEU A 85 9.033 -1.589 -8.751 1.00 0.00 O ATOM 1262 CB LEU A 85 11.854 -2.382 -7.292 1.00 0.00 C ATOM 1263 CG LEU A 85 13.367 -2.267 -7.099 1.00 0.00 C ATOM 1264 CD1 LEU A 85 13.745 -2.565 -5.656 1.00 0.00 C ATOM 1265 CD2 LEU A 85 14.098 -3.204 -8.049 1.00 0.00 C ATOM 0 H LEU A 85 12.425 -0.456 -8.775 1.00 0.00 H new ATOM 0 HA LEU A 85 11.846 -3.001 -9.350 1.00 0.00 H new ATOM 0 HB2 LEU A 85 11.372 -1.612 -6.689 1.00 0.00 H new ATOM 0 HB3 LEU A 85 11.530 -3.345 -6.898 1.00 0.00 H new ATOM 0 HG LEU A 85 13.667 -1.244 -7.327 1.00 0.00 H new ATOM 0 HD11 LEU A 85 14.825 -2.478 -5.537 1.00 0.00 H new ATOM 0 HD12 LEU A 85 13.249 -1.853 -4.996 1.00 0.00 H new ATOM 0 HD13 LEU A 85 13.432 -3.577 -5.399 1.00 0.00 H new ATOM 0 HD21 LEU A 85 15.173 -3.109 -7.898 1.00 0.00 H new ATOM 0 HD22 LEU A 85 13.793 -4.232 -7.852 1.00 0.00 H new ATOM 0 HD23 LEU A 85 13.852 -2.943 -9.078 1.00 0.00 H new ATOM 1277 N PRO A 86 9.468 -3.797 -8.848 1.00 0.00 N ATOM 1278 CA PRO A 86 8.061 -4.206 -8.898 1.00 0.00 C ATOM 1279 C PRO A 86 7.340 -3.964 -7.577 1.00 0.00 C ATOM 1280 O PRO A 86 7.594 -4.629 -6.572 1.00 0.00 O ATOM 1281 CB PRO A 86 8.138 -5.705 -9.199 1.00 0.00 C ATOM 1282 CG PRO A 86 9.470 -6.127 -8.683 1.00 0.00 C ATOM 1283 CD PRO A 86 10.384 -4.950 -8.884 1.00 0.00 C ATOM 0 HA PRO A 86 7.497 -3.637 -9.637 1.00 0.00 H new ATOM 0 HB2 PRO A 86 7.332 -6.250 -8.707 1.00 0.00 H new ATOM 0 HB3 PRO A 86 8.048 -5.899 -10.268 1.00 0.00 H new ATOM 0 HG2 PRO A 86 9.412 -6.400 -7.629 1.00 0.00 H new ATOM 0 HG3 PRO A 86 9.837 -7.002 -9.219 1.00 0.00 H new ATOM 0 HD2 PRO A 86 11.138 -4.889 -8.100 1.00 0.00 H new ATOM 0 HD3 PRO A 86 10.916 -5.011 -9.834 1.00 0.00 H new ATOM 1291 N PRO A 87 6.418 -2.990 -7.575 1.00 0.00 N ATOM 1292 CA PRO A 87 5.640 -2.639 -6.383 1.00 0.00 C ATOM 1293 C PRO A 87 4.637 -3.723 -6.005 1.00 0.00 C ATOM 1294 O PRO A 87 4.311 -4.591 -6.815 1.00 0.00 O ATOM 1295 CB PRO A 87 4.911 -1.359 -6.799 1.00 0.00 C ATOM 1296 CG PRO A 87 4.821 -1.440 -8.284 1.00 0.00 C ATOM 1297 CD PRO A 87 6.063 -2.157 -8.736 1.00 0.00 C ATOM 0 HA PRO A 87 6.274 -2.519 -5.504 1.00 0.00 H new ATOM 0 HB2 PRO A 87 3.922 -1.301 -6.345 1.00 0.00 H new ATOM 0 HB3 PRO A 87 5.459 -0.471 -6.483 1.00 0.00 H new ATOM 0 HG2 PRO A 87 3.925 -1.979 -8.592 1.00 0.00 H new ATOM 0 HG3 PRO A 87 4.762 -0.445 -8.726 1.00 0.00 H new ATOM 0 HD2 PRO A 87 5.877 -2.762 -9.623 1.00 0.00 H new ATOM 0 HD3 PRO A 87 6.861 -1.459 -8.988 1.00 0.00 H new ATOM 1305 N VAL A 88 4.150 -3.668 -4.769 1.00 0.00 N ATOM 1306 CA VAL A 88 3.182 -4.645 -4.285 1.00 0.00 C ATOM 1307 C VAL A 88 1.777 -4.054 -4.244 1.00 0.00 C ATOM 1308 O VAL A 88 1.594 -2.886 -3.899 1.00 0.00 O ATOM 1309 CB VAL A 88 3.554 -5.153 -2.879 1.00 0.00 C ATOM 1310 CG1 VAL A 88 4.623 -6.232 -2.967 1.00 0.00 C ATOM 1311 CG2 VAL A 88 4.018 -4.001 -2.002 1.00 0.00 C ATOM 0 H VAL A 88 4.410 -2.957 -4.085 1.00 0.00 H new ATOM 0 HA VAL A 88 3.200 -5.482 -4.983 1.00 0.00 H new ATOM 0 HB VAL A 88 2.666 -5.591 -2.423 1.00 0.00 H new ATOM 0 HG11 VAL A 88 4.873 -6.579 -1.964 1.00 0.00 H new ATOM 0 HG12 VAL A 88 4.248 -7.068 -3.557 1.00 0.00 H new ATOM 0 HG13 VAL A 88 5.515 -5.823 -3.442 1.00 0.00 H new ATOM 0 HG21 VAL A 88 4.277 -4.378 -1.013 1.00 0.00 H new ATOM 0 HG22 VAL A 88 4.893 -3.531 -2.451 1.00 0.00 H new ATOM 0 HG23 VAL A 88 3.218 -3.267 -1.912 1.00 0.00 H new ATOM 1321 N SER A 89 0.788 -4.868 -4.598 1.00 0.00 N ATOM 1322 CA SER A 89 -0.601 -4.425 -4.605 1.00 0.00 C ATOM 1323 C SER A 89 -1.436 -5.238 -3.620 1.00 0.00 C ATOM 1324 O SER A 89 -1.362 -6.466 -3.591 1.00 0.00 O ATOM 1325 CB SER A 89 -1.190 -4.547 -6.012 1.00 0.00 C ATOM 1326 OG SER A 89 -0.981 -5.844 -6.542 1.00 0.00 O ATOM 0 H SER A 89 0.923 -5.838 -4.884 1.00 0.00 H new ATOM 0 HA SER A 89 -0.624 -3.379 -4.298 1.00 0.00 H new ATOM 0 HB2 SER A 89 -2.258 -4.331 -5.982 1.00 0.00 H new ATOM 0 HB3 SER A 89 -0.732 -3.805 -6.667 1.00 0.00 H new ATOM 0 HG SER A 89 -1.368 -5.896 -7.441 1.00 0.00 H new ATOM 1332 N THR A 90 -2.231 -4.542 -2.813 1.00 0.00 N ATOM 1333 CA THR A 90 -3.079 -5.197 -1.825 1.00 0.00 C ATOM 1334 C THR A 90 -4.500 -4.645 -1.868 1.00 0.00 C ATOM 1335 O THR A 90 -4.734 -3.546 -2.370 1.00 0.00 O ATOM 1336 CB THR A 90 -2.518 -5.027 -0.401 1.00 0.00 C ATOM 1337 OG1 THR A 90 -3.182 -5.921 0.498 1.00 0.00 O ATOM 1338 CG2 THR A 90 -2.690 -3.594 0.081 1.00 0.00 C ATOM 0 H THR A 90 -2.305 -3.525 -2.824 1.00 0.00 H new ATOM 0 HA THR A 90 -3.096 -6.257 -2.077 1.00 0.00 H new ATOM 0 HB THR A 90 -1.454 -5.261 -0.424 1.00 0.00 H new ATOM 0 HG1 THR A 90 -2.818 -5.807 1.401 1.00 0.00 H new ATOM 0 HG21 THR A 90 -2.286 -3.498 1.089 1.00 0.00 H new ATOM 0 HG22 THR A 90 -2.158 -2.919 -0.589 1.00 0.00 H new ATOM 0 HG23 THR A 90 -3.749 -3.337 0.088 1.00 0.00 H new ATOM 1346 N SER A 91 -5.445 -5.415 -1.338 1.00 0.00 N ATOM 1347 CA SER A 91 -6.844 -5.004 -1.319 1.00 0.00 C ATOM 1348 C SER A 91 -7.388 -4.997 0.106 1.00 0.00 C ATOM 1349 O SER A 91 -7.285 -5.989 0.828 1.00 0.00 O ATOM 1350 CB SER A 91 -7.684 -5.937 -2.193 1.00 0.00 C ATOM 1351 OG SER A 91 -7.390 -7.296 -1.917 1.00 0.00 O ATOM 0 H SER A 91 -5.267 -6.327 -0.916 1.00 0.00 H new ATOM 0 HA SER A 91 -6.905 -3.992 -1.718 1.00 0.00 H new ATOM 0 HB2 SER A 91 -8.743 -5.748 -2.019 1.00 0.00 H new ATOM 0 HB3 SER A 91 -7.492 -5.726 -3.245 1.00 0.00 H new ATOM 0 HG SER A 91 -7.337 -7.429 -0.947 1.00 0.00 H new ATOM 1357 N PHE A 92 -7.969 -3.870 0.505 1.00 0.00 N ATOM 1358 CA PHE A 92 -8.530 -3.731 1.844 1.00 0.00 C ATOM 1359 C PHE A 92 -9.868 -2.999 1.801 1.00 0.00 C ATOM 1360 O PHE A 92 -10.025 -2.011 1.083 1.00 0.00 O ATOM 1361 CB PHE A 92 -7.554 -2.981 2.753 1.00 0.00 C ATOM 1362 CG PHE A 92 -7.360 -1.543 2.367 1.00 0.00 C ATOM 1363 CD1 PHE A 92 -8.208 -0.560 2.851 1.00 0.00 C ATOM 1364 CD2 PHE A 92 -6.328 -1.173 1.519 1.00 0.00 C ATOM 1365 CE1 PHE A 92 -8.032 0.764 2.495 1.00 0.00 C ATOM 1366 CE2 PHE A 92 -6.146 0.150 1.161 1.00 0.00 C ATOM 1367 CZ PHE A 92 -6.999 1.119 1.650 1.00 0.00 C ATOM 0 H PHE A 92 -8.064 -3.040 -0.080 1.00 0.00 H new ATOM 0 HA PHE A 92 -8.696 -4.730 2.246 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -7.917 -3.027 3.780 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -6.589 -3.488 2.733 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -9.016 -0.831 3.514 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -5.658 -1.927 1.133 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -8.702 1.520 2.877 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -5.338 0.425 0.500 1.00 0.00 H new ATOM 0 HZ PHE A 92 -6.859 2.153 1.372 1.00 0.00 H new ATOM 1377 N THR A 93 -10.830 -3.491 2.574 1.00 0.00 N ATOM 1378 CA THR A 93 -12.155 -2.887 2.624 1.00 0.00 C ATOM 1379 C THR A 93 -12.332 -2.052 3.887 1.00 0.00 C ATOM 1380 O THR A 93 -11.925 -2.459 4.975 1.00 0.00 O ATOM 1381 CB THR A 93 -13.263 -3.955 2.569 1.00 0.00 C ATOM 1382 OG1 THR A 93 -13.008 -4.872 1.499 1.00 0.00 O ATOM 1383 CG2 THR A 93 -14.628 -3.311 2.377 1.00 0.00 C ATOM 0 H THR A 93 -10.716 -4.307 3.175 1.00 0.00 H new ATOM 0 HA THR A 93 -12.240 -2.241 1.750 1.00 0.00 H new ATOM 0 HB THR A 93 -13.263 -4.494 3.516 1.00 0.00 H new ATOM 0 HG1 THR A 93 -13.716 -5.549 1.472 1.00 0.00 H new ATOM 0 HG21 THR A 93 -15.394 -4.086 2.341 1.00 0.00 H new ATOM 0 HG22 THR A 93 -14.832 -2.637 3.209 1.00 0.00 H new ATOM 0 HG23 THR A 93 -14.637 -2.749 1.443 1.00 0.00 H new ATOM 1391 N THR A 94 -12.943 -0.881 3.736 1.00 0.00 N ATOM 1392 CA THR A 94 -13.173 0.012 4.865 1.00 0.00 C ATOM 1393 C THR A 94 -14.454 -0.357 5.605 1.00 0.00 C ATOM 1394 O THR A 94 -15.379 -0.920 5.022 1.00 0.00 O ATOM 1395 CB THR A 94 -13.262 1.481 4.411 1.00 0.00 C ATOM 1396 OG1 THR A 94 -14.205 1.607 3.341 1.00 0.00 O ATOM 1397 CG2 THR A 94 -11.902 1.990 3.957 1.00 0.00 C ATOM 0 H THR A 94 -13.287 -0.529 2.843 1.00 0.00 H new ATOM 0 HA THR A 94 -12.322 -0.102 5.536 1.00 0.00 H new ATOM 0 HB THR A 94 -13.593 2.081 5.259 1.00 0.00 H new ATOM 0 HG1 THR A 94 -14.377 2.556 3.167 1.00 0.00 H new ATOM 0 HG21 THR A 94 -11.990 3.029 3.641 1.00 0.00 H new ATOM 0 HG22 THR A 94 -11.193 1.920 4.782 1.00 0.00 H new ATOM 0 HG23 THR A 94 -11.547 1.386 3.122 1.00 0.00 H new ATOM 1405 N GLY A 95 -14.500 -0.036 6.895 1.00 0.00 N ATOM 1406 CA GLY A 95 -15.673 -0.341 7.693 1.00 0.00 C ATOM 1407 C GLY A 95 -16.891 0.452 7.262 1.00 0.00 C ATOM 1408 O GLY A 95 -16.909 1.034 6.178 1.00 0.00 O ATOM 0 H GLY A 95 -13.746 0.429 7.401 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -15.892 -1.406 7.619 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -15.460 -0.132 8.741 1.00 0.00 H new ATOM 1412 N GLY A 96 -17.913 0.474 8.112 1.00 0.00 N ATOM 1413 CA GLY A 96 -19.127 1.202 7.794 1.00 0.00 C ATOM 1414 C GLY A 96 -19.447 2.272 8.819 1.00 0.00 C ATOM 1415 O GLY A 96 -18.860 2.301 9.902 1.00 0.00 O ATOM 0 H GLY A 96 -17.922 0.000 9.015 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -19.024 1.663 6.812 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -19.961 0.502 7.731 1.00 0.00 H new ATOM 1419 N LEU A 97 -20.377 3.157 8.478 1.00 0.00 N ATOM 1420 CA LEU A 97 -20.773 4.236 9.376 1.00 0.00 C ATOM 1421 C LEU A 97 -21.942 3.809 10.259 1.00 0.00 C ATOM 1422 O LEU A 97 -23.104 4.003 9.904 1.00 0.00 O ATOM 1423 CB LEU A 97 -21.154 5.481 8.573 1.00 0.00 C ATOM 1424 CG LEU A 97 -20.060 6.063 7.677 1.00 0.00 C ATOM 1425 CD1 LEU A 97 -20.629 7.148 6.777 1.00 0.00 C ATOM 1426 CD2 LEU A 97 -18.917 6.610 8.519 1.00 0.00 C ATOM 0 H LEU A 97 -20.871 3.149 7.586 1.00 0.00 H new ATOM 0 HA LEU A 97 -19.924 4.471 10.018 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -22.015 5.238 7.950 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -21.474 6.255 9.271 1.00 0.00 H new ATOM 0 HG LEU A 97 -19.670 5.264 7.046 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -19.836 7.551 6.147 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -21.413 6.725 6.149 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -21.046 7.947 7.390 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -18.147 7.020 7.865 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -19.292 7.395 9.175 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -18.492 5.807 9.121 1.00 0.00 H new