USER MOD reduce.3.24.130724 H: found=0, std=0, add=661, rem=0, adj=22 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 59 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 60 SER OG : rot 180:sc= -0.0996 USER MOD Set 2.1: A 43 HIS : no HD1:sc= -0.0933 X(o=-2.5,f=-2.6) USER MOD Set 2.2: A 49 THR OG1 : rot 180:sc= -2.37! USER MOD Set 3.1: A 20 THR OG1 : rot 24:sc= 1.11 USER MOD Set 3.2: A 23 THR OG1 : rot 25:sc= 0.595 USER MOD Set 4.1: A 17 LYS NZ :NH3+ -162:sc= 0.261 (180deg=-1.38) USER MOD Set 4.2: A 27 THR OG1 : rot -159:sc= 1.01 USER MOD Single : A 29 THR OG1 : rot 180:sc= -0.0609 USER MOD Single : A 38 TYR OH : rot 150:sc= 0 USER MOD Single : A 41 SER OG : rot -14:sc= 0.961 USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 GLN : amide:sc= 0.0541 X(o=0.054,f=-0.21) USER MOD Single : A 61 HIS : no HD1:sc= -0.778 X(o=-0.78,f=-1.3) USER MOD Single : A 62 GLN :FLIP amide:sc= -0.775 F(o=-2.7!,f=-0.77) USER MOD Single : A 69 SER OG : rot -53:sc= 0.689 USER MOD Single : A 70 THR OG1 : rot -130:sc= -1.42 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 72 TYR OH : rot 111:sc= 0.375 USER MOD Single : A 73 ASN : amide:sc= -0.587 K(o=-0.59,f=-2.2!) USER MOD Single : A 77 GLN : amide:sc= -2.16! C(o=-2.2!,f=-4.7!) USER MOD Single : A 79 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 82 GLN : amide:sc= -0.0073 K(o=-0.0073,f=-1.3) USER MOD Single : A 83 SER OG : rot 3:sc= 0.979 USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 90 THR OG1 : rot 146:sc= 0.00422 USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 93 THR OG1 : rot 180:sc= 0 USER MOD Single : A 94 THR OG1 : rot 162:sc= 1.69 USER MOD ----------------------------------------------------------------- ATOM 85 N GLU A 9 15.869 -5.115 -3.935 1.00 0.00 N ATOM 86 CA GLU A 9 14.821 -5.868 -3.257 1.00 0.00 C ATOM 87 C GLU A 9 13.580 -5.005 -3.047 1.00 0.00 C ATOM 88 O GLU A 9 13.680 -3.831 -2.693 1.00 0.00 O ATOM 89 CB GLU A 9 15.327 -6.389 -1.910 1.00 0.00 C ATOM 90 CG GLU A 9 16.038 -7.728 -2.004 1.00 0.00 C ATOM 91 CD GLU A 9 15.093 -8.870 -2.321 1.00 0.00 C ATOM 92 OE1 GLU A 9 14.017 -8.943 -1.691 1.00 0.00 O ATOM 93 OE2 GLU A 9 15.429 -9.692 -3.199 1.00 0.00 O ATOM 0 HA GLU A 9 14.551 -6.715 -3.888 1.00 0.00 H new ATOM 0 HB2 GLU A 9 16.008 -5.655 -1.479 1.00 0.00 H new ATOM 0 HB3 GLU A 9 14.484 -6.482 -1.226 1.00 0.00 H new ATOM 0 HG2 GLU A 9 16.807 -7.673 -2.775 1.00 0.00 H new ATOM 0 HG3 GLU A 9 16.545 -7.932 -1.061 1.00 0.00 H new ATOM 100 N ALA A 10 12.411 -5.597 -3.270 1.00 0.00 N ATOM 101 CA ALA A 10 11.150 -4.884 -3.105 1.00 0.00 C ATOM 102 C ALA A 10 10.547 -5.147 -1.729 1.00 0.00 C ATOM 103 O ALA A 10 10.923 -6.087 -1.029 1.00 0.00 O ATOM 104 CB ALA A 10 10.170 -5.284 -4.198 1.00 0.00 C ATOM 0 H ALA A 10 12.311 -6.568 -3.565 1.00 0.00 H new ATOM 0 HA ALA A 10 11.352 -3.816 -3.187 1.00 0.00 H new ATOM 0 HB1 ALA A 10 9.233 -4.744 -4.062 1.00 0.00 H new ATOM 0 HB2 ALA A 10 10.592 -5.039 -5.173 1.00 0.00 H new ATOM 0 HB3 ALA A 10 9.982 -6.356 -4.143 1.00 0.00 H new ATOM 110 N PRO A 11 9.590 -4.297 -1.330 1.00 0.00 N ATOM 111 CA PRO A 11 8.915 -4.417 -0.034 1.00 0.00 C ATOM 112 C PRO A 11 7.999 -5.634 0.032 1.00 0.00 C ATOM 113 O PRO A 11 7.403 -6.029 -0.971 1.00 0.00 O ATOM 114 CB PRO A 11 8.097 -3.126 0.061 1.00 0.00 C ATOM 115 CG PRO A 11 7.869 -2.717 -1.353 1.00 0.00 C ATOM 116 CD PRO A 11 9.092 -3.153 -2.112 1.00 0.00 C ATOM 0 HA PRO A 11 9.623 -4.550 0.784 1.00 0.00 H new ATOM 0 HB2 PRO A 11 7.154 -3.292 0.582 1.00 0.00 H new ATOM 0 HB3 PRO A 11 8.635 -2.356 0.614 1.00 0.00 H new ATOM 0 HG2 PRO A 11 6.972 -3.187 -1.755 1.00 0.00 H new ATOM 0 HG3 PRO A 11 7.726 -1.639 -1.429 1.00 0.00 H new ATOM 0 HD2 PRO A 11 8.849 -3.441 -3.135 1.00 0.00 H new ATOM 0 HD3 PRO A 11 9.832 -2.355 -2.173 1.00 0.00 H new ATOM 124 N ARG A 12 7.890 -6.224 1.218 1.00 0.00 N ATOM 125 CA ARG A 12 7.046 -7.397 1.413 1.00 0.00 C ATOM 126 C ARG A 12 6.222 -7.267 2.691 1.00 0.00 C ATOM 127 O ARG A 12 6.427 -6.347 3.483 1.00 0.00 O ATOM 128 CB ARG A 12 7.902 -8.663 1.472 1.00 0.00 C ATOM 129 CG ARG A 12 8.695 -8.803 2.762 1.00 0.00 C ATOM 130 CD ARG A 12 9.706 -9.935 2.674 1.00 0.00 C ATOM 131 NE ARG A 12 10.665 -9.731 1.591 1.00 0.00 N ATOM 132 CZ ARG A 12 11.372 -10.711 1.041 1.00 0.00 C ATOM 133 NH1 ARG A 12 11.228 -11.958 1.469 1.00 0.00 N ATOM 134 NH2 ARG A 12 12.224 -10.445 0.059 1.00 0.00 N ATOM 0 H ARG A 12 8.375 -5.909 2.058 1.00 0.00 H new ATOM 0 HA ARG A 12 6.363 -7.468 0.566 1.00 0.00 H new ATOM 0 HB2 ARG A 12 7.256 -9.534 1.356 1.00 0.00 H new ATOM 0 HB3 ARG A 12 8.593 -8.664 0.629 1.00 0.00 H new ATOM 0 HG2 ARG A 12 9.212 -7.868 2.976 1.00 0.00 H new ATOM 0 HG3 ARG A 12 8.013 -8.987 3.592 1.00 0.00 H new ATOM 0 HD2 ARG A 12 10.240 -10.018 3.620 1.00 0.00 H new ATOM 0 HD3 ARG A 12 9.181 -10.878 2.521 1.00 0.00 H new ATOM 0 HE ARG A 12 10.799 -8.783 1.238 1.00 0.00 H new ATOM 0 HH11 ARG A 12 10.573 -12.166 2.223 1.00 0.00 H new ATOM 0 HH12 ARG A 12 11.772 -12.709 1.045 1.00 0.00 H new ATOM 0 HH21 ARG A 12 12.336 -9.487 -0.274 1.00 0.00 H new ATOM 0 HH22 ARG A 12 12.767 -11.198 -0.363 1.00 0.00 H new ATOM 148 N ASP A 13 5.291 -8.194 2.884 1.00 0.00 N ATOM 149 CA ASP A 13 4.436 -8.184 4.066 1.00 0.00 C ATOM 150 C ASP A 13 3.577 -6.924 4.105 1.00 0.00 C ATOM 151 O ASP A 13 3.412 -6.304 5.157 1.00 0.00 O ATOM 152 CB ASP A 13 5.284 -8.278 5.336 1.00 0.00 C ATOM 153 CG ASP A 13 4.441 -8.276 6.596 1.00 0.00 C ATOM 154 OD1 ASP A 13 3.431 -9.009 6.635 1.00 0.00 O ATOM 155 OD2 ASP A 13 4.791 -7.540 7.543 1.00 0.00 O ATOM 0 H ASP A 13 5.109 -8.962 2.238 1.00 0.00 H new ATOM 0 HA ASP A 13 3.776 -9.050 4.014 1.00 0.00 H new ATOM 0 HB2 ASP A 13 5.882 -9.189 5.304 1.00 0.00 H new ATOM 0 HB3 ASP A 13 5.981 -7.440 5.367 1.00 0.00 H new ATOM 160 N LEU A 14 3.033 -6.549 2.952 1.00 0.00 N ATOM 161 CA LEU A 14 2.192 -5.361 2.854 1.00 0.00 C ATOM 162 C LEU A 14 0.724 -5.715 3.070 1.00 0.00 C ATOM 163 O LEU A 14 0.056 -6.210 2.163 1.00 0.00 O ATOM 164 CB LEU A 14 2.373 -4.696 1.488 1.00 0.00 C ATOM 165 CG LEU A 14 1.362 -3.604 1.135 1.00 0.00 C ATOM 166 CD1 LEU A 14 1.742 -2.290 1.799 1.00 0.00 C ATOM 167 CD2 LEU A 14 1.268 -3.433 -0.375 1.00 0.00 C ATOM 0 H LEU A 14 3.159 -7.050 2.073 1.00 0.00 H new ATOM 0 HA LEU A 14 2.497 -4.663 3.634 1.00 0.00 H new ATOM 0 HB2 LEU A 14 3.373 -4.265 1.446 1.00 0.00 H new ATOM 0 HB3 LEU A 14 2.326 -5.469 0.721 1.00 0.00 H new ATOM 0 HG LEU A 14 0.384 -3.906 1.509 1.00 0.00 H new ATOM 0 HD11 LEU A 14 1.011 -1.525 1.536 1.00 0.00 H new ATOM 0 HD12 LEU A 14 1.758 -2.420 2.881 1.00 0.00 H new ATOM 0 HD13 LEU A 14 2.730 -1.981 1.456 1.00 0.00 H new ATOM 0 HD21 LEU A 14 0.544 -2.652 -0.608 1.00 0.00 H new ATOM 0 HD22 LEU A 14 2.244 -3.153 -0.771 1.00 0.00 H new ATOM 0 HD23 LEU A 14 0.948 -4.371 -0.828 1.00 0.00 H new ATOM 179 N GLU A 15 0.229 -5.454 4.276 1.00 0.00 N ATOM 180 CA GLU A 15 -1.161 -5.744 4.609 1.00 0.00 C ATOM 181 C GLU A 15 -1.828 -4.534 5.257 1.00 0.00 C ATOM 182 O GLU A 15 -1.155 -3.609 5.709 1.00 0.00 O ATOM 183 CB GLU A 15 -1.243 -6.949 5.548 1.00 0.00 C ATOM 184 CG GLU A 15 -2.650 -7.498 5.712 1.00 0.00 C ATOM 185 CD GLU A 15 -3.351 -7.712 4.385 1.00 0.00 C ATOM 186 OE1 GLU A 15 -3.077 -8.737 3.727 1.00 0.00 O ATOM 187 OE2 GLU A 15 -4.176 -6.855 4.005 1.00 0.00 O ATOM 0 H GLU A 15 0.769 -5.043 5.038 1.00 0.00 H new ATOM 0 HA GLU A 15 -1.689 -5.977 3.684 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -0.596 -7.739 5.168 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -0.857 -6.663 6.527 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -2.606 -8.444 6.252 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -3.236 -6.810 6.321 1.00 0.00 H new ATOM 194 N ALA A 16 -3.157 -4.550 5.298 1.00 0.00 N ATOM 195 CA ALA A 16 -3.916 -3.456 5.891 1.00 0.00 C ATOM 196 C ALA A 16 -4.174 -3.708 7.373 1.00 0.00 C ATOM 197 O ALA A 16 -4.512 -4.821 7.775 1.00 0.00 O ATOM 198 CB ALA A 16 -5.230 -3.263 5.150 1.00 0.00 C ATOM 0 H ALA A 16 -3.730 -5.309 4.928 1.00 0.00 H new ATOM 0 HA ALA A 16 -3.324 -2.545 5.801 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -5.786 -2.443 5.604 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -5.027 -3.030 4.105 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -5.819 -4.178 5.210 1.00 0.00 H new ATOM 204 N LYS A 17 -4.011 -2.666 8.182 1.00 0.00 N ATOM 205 CA LYS A 17 -4.226 -2.773 9.620 1.00 0.00 C ATOM 206 C LYS A 17 -4.953 -1.543 10.154 1.00 0.00 C ATOM 207 O LYS A 17 -4.915 -0.475 9.544 1.00 0.00 O ATOM 208 CB LYS A 17 -2.890 -2.945 10.346 1.00 0.00 C ATOM 209 CG LYS A 17 -2.211 -4.274 10.064 1.00 0.00 C ATOM 210 CD LYS A 17 -1.279 -4.181 8.867 1.00 0.00 C ATOM 211 CE LYS A 17 -0.406 -5.420 8.743 1.00 0.00 C ATOM 212 NZ LYS A 17 0.651 -5.253 7.708 1.00 0.00 N ATOM 0 H LYS A 17 -3.731 -1.738 7.866 1.00 0.00 H new ATOM 0 HA LYS A 17 -4.847 -3.649 9.805 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -2.221 -2.136 10.054 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -3.055 -2.851 11.419 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -1.647 -4.589 10.942 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -2.966 -5.038 9.880 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -1.865 -4.055 7.957 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -0.648 -3.298 8.964 1.00 0.00 H new ATOM 0 HE2 LYS A 17 0.059 -5.634 9.705 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -1.028 -6.279 8.491 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 1.020 -6.186 7.435 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 0.248 -4.783 6.873 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 1.424 -4.673 8.092 1.00 0.00 H new ATOM 226 N GLU A 18 -5.611 -1.700 11.298 1.00 0.00 N ATOM 227 CA GLU A 18 -6.345 -0.601 11.914 1.00 0.00 C ATOM 228 C GLU A 18 -7.345 0.004 10.932 1.00 0.00 C ATOM 229 O GLU A 18 -7.677 1.186 11.015 1.00 0.00 O ATOM 230 CB GLU A 18 -5.377 0.479 12.401 1.00 0.00 C ATOM 231 CG GLU A 18 -4.237 -0.063 13.248 1.00 0.00 C ATOM 232 CD GLU A 18 -4.644 -0.304 14.689 1.00 0.00 C ATOM 233 OE1 GLU A 18 -5.861 -0.385 14.956 1.00 0.00 O ATOM 234 OE2 GLU A 18 -3.745 -0.413 15.548 1.00 0.00 O ATOM 0 H GLU A 18 -5.651 -2.577 11.817 1.00 0.00 H new ATOM 0 HA GLU A 18 -6.894 -0.999 12.767 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -4.962 0.999 11.538 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -5.931 1.217 12.981 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -3.879 -0.997 12.814 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -3.404 0.640 13.222 1.00 0.00 H new ATOM 241 N VAL A 19 -7.821 -0.817 10.001 1.00 0.00 N ATOM 242 CA VAL A 19 -8.783 -0.365 9.002 1.00 0.00 C ATOM 243 C VAL A 19 -10.036 0.197 9.662 1.00 0.00 C ATOM 244 O VAL A 19 -10.610 -0.420 10.560 1.00 0.00 O ATOM 245 CB VAL A 19 -9.185 -1.509 8.053 1.00 0.00 C ATOM 246 CG1 VAL A 19 -10.244 -1.038 7.068 1.00 0.00 C ATOM 247 CG2 VAL A 19 -7.965 -2.046 7.319 1.00 0.00 C ATOM 0 H VAL A 19 -7.556 -1.799 9.918 1.00 0.00 H new ATOM 0 HA VAL A 19 -8.296 0.421 8.425 1.00 0.00 H new ATOM 0 HB VAL A 19 -9.609 -2.318 8.647 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -10.516 -1.860 6.405 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -11.127 -0.705 7.614 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -9.850 -0.211 6.478 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -8.268 -2.854 6.653 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -7.510 -1.246 6.736 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -7.242 -2.424 8.042 1.00 0.00 H new ATOM 257 N THR A 20 -10.458 1.375 9.212 1.00 0.00 N ATOM 258 CA THR A 20 -11.644 2.022 9.758 1.00 0.00 C ATOM 259 C THR A 20 -12.420 2.756 8.671 1.00 0.00 C ATOM 260 O THR A 20 -11.886 3.098 7.616 1.00 0.00 O ATOM 261 CB THR A 20 -11.276 3.020 10.873 1.00 0.00 C ATOM 262 OG1 THR A 20 -10.017 3.636 10.582 1.00 0.00 O ATOM 263 CG2 THR A 20 -11.205 2.321 12.222 1.00 0.00 C ATOM 0 H THR A 20 -9.995 1.900 8.470 1.00 0.00 H new ATOM 0 HA THR A 20 -12.269 1.234 10.177 1.00 0.00 H new ATOM 0 HB THR A 20 -12.052 3.784 10.918 1.00 0.00 H new ATOM 0 HG1 THR A 20 -9.847 3.594 9.618 1.00 0.00 H new ATOM 0 HG21 THR A 20 -10.944 3.045 12.994 1.00 0.00 H new ATOM 0 HG22 THR A 20 -12.173 1.878 12.453 1.00 0.00 H new ATOM 0 HG23 THR A 20 -10.447 1.539 12.187 1.00 0.00 H new ATOM 271 N PRO A 21 -13.712 3.007 8.932 1.00 0.00 N ATOM 272 CA PRO A 21 -14.589 3.704 7.987 1.00 0.00 C ATOM 273 C PRO A 21 -14.231 5.180 7.844 1.00 0.00 C ATOM 274 O PRO A 21 -14.797 5.888 7.011 1.00 0.00 O ATOM 275 CB PRO A 21 -15.978 3.550 8.612 1.00 0.00 C ATOM 276 CG PRO A 21 -15.720 3.369 10.068 1.00 0.00 C ATOM 277 CD PRO A 21 -14.415 2.628 10.169 1.00 0.00 C ATOM 0 HA PRO A 21 -14.511 3.293 6.980 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -16.596 4.429 8.426 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -16.507 2.694 8.194 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -15.663 4.331 10.577 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -16.526 2.807 10.540 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -13.854 2.921 11.056 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -14.568 1.551 10.230 1.00 0.00 H new ATOM 285 N ARG A 22 -13.287 5.636 8.661 1.00 0.00 N ATOM 286 CA ARG A 22 -12.854 7.028 8.625 1.00 0.00 C ATOM 287 C ARG A 22 -11.398 7.133 8.181 1.00 0.00 C ATOM 288 O ARG A 22 -10.981 8.144 7.616 1.00 0.00 O ATOM 289 CB ARG A 22 -13.026 7.673 10.002 1.00 0.00 C ATOM 290 CG ARG A 22 -12.159 8.904 10.210 1.00 0.00 C ATOM 291 CD ARG A 22 -12.809 9.887 11.171 1.00 0.00 C ATOM 292 NE ARG A 22 -12.563 9.532 12.566 1.00 0.00 N ATOM 293 CZ ARG A 22 -13.293 9.984 13.580 1.00 0.00 C ATOM 294 NH1 ARG A 22 -14.310 10.805 13.354 1.00 0.00 N ATOM 295 NH2 ARG A 22 -13.007 9.616 14.822 1.00 0.00 N ATOM 0 H ARG A 22 -12.808 5.063 9.355 1.00 0.00 H new ATOM 0 HA ARG A 22 -13.475 7.557 7.903 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -14.072 7.949 10.137 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -12.789 6.938 10.771 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -11.186 8.604 10.598 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -11.983 9.393 9.252 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -12.426 10.889 10.979 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -13.883 9.916 10.988 1.00 0.00 H new ATOM 0 HE ARG A 22 -11.788 8.902 12.773 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -14.533 11.090 12.400 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -14.869 11.151 14.134 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -12.226 8.985 15.000 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -13.569 9.964 15.599 1.00 0.00 H new ATOM 309 N THR A 23 -10.628 6.081 8.441 1.00 0.00 N ATOM 310 CA THR A 23 -9.218 6.055 8.069 1.00 0.00 C ATOM 311 C THR A 23 -8.731 4.625 7.860 1.00 0.00 C ATOM 312 O THR A 23 -9.485 3.670 8.043 1.00 0.00 O ATOM 313 CB THR A 23 -8.343 6.732 9.140 1.00 0.00 C ATOM 314 OG1 THR A 23 -8.722 6.276 10.443 1.00 0.00 O ATOM 315 CG2 THR A 23 -8.475 8.246 9.069 1.00 0.00 C ATOM 0 H THR A 23 -10.957 5.236 8.908 1.00 0.00 H new ATOM 0 HA THR A 23 -9.127 6.607 7.134 1.00 0.00 H new ATOM 0 HB THR A 23 -7.304 6.464 8.950 1.00 0.00 H new ATOM 0 HG1 THR A 23 -9.142 5.394 10.371 1.00 0.00 H new ATOM 0 HG21 THR A 23 -7.848 8.702 9.835 1.00 0.00 H new ATOM 0 HG22 THR A 23 -8.157 8.593 8.086 1.00 0.00 H new ATOM 0 HG23 THR A 23 -9.514 8.529 9.235 1.00 0.00 H new ATOM 323 N ALA A 24 -7.466 4.486 7.478 1.00 0.00 N ATOM 324 CA ALA A 24 -6.878 3.173 7.247 1.00 0.00 C ATOM 325 C ALA A 24 -5.355 3.235 7.311 1.00 0.00 C ATOM 326 O ALA A 24 -4.734 4.111 6.709 1.00 0.00 O ATOM 327 CB ALA A 24 -7.330 2.621 5.903 1.00 0.00 C ATOM 0 H ALA A 24 -6.829 5.267 7.322 1.00 0.00 H new ATOM 0 HA ALA A 24 -7.222 2.504 8.036 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -6.883 1.640 5.744 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -8.416 2.531 5.893 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -7.015 3.297 5.108 1.00 0.00 H new ATOM 333 N LEU A 25 -4.761 2.299 8.043 1.00 0.00 N ATOM 334 CA LEU A 25 -3.310 2.248 8.186 1.00 0.00 C ATOM 335 C LEU A 25 -2.730 1.060 7.425 1.00 0.00 C ATOM 336 O LEU A 25 -3.236 -0.059 7.519 1.00 0.00 O ATOM 337 CB LEU A 25 -2.926 2.157 9.664 1.00 0.00 C ATOM 338 CG LEU A 25 -1.456 1.858 9.959 1.00 0.00 C ATOM 339 CD1 LEU A 25 -0.656 3.148 10.050 1.00 0.00 C ATOM 340 CD2 LEU A 25 -1.323 1.054 11.245 1.00 0.00 C ATOM 0 H LEU A 25 -5.261 1.566 8.546 1.00 0.00 H new ATOM 0 HA LEU A 25 -2.896 3.164 7.765 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -3.188 3.099 10.145 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -3.534 1.381 10.130 1.00 0.00 H new ATOM 0 HG LEU A 25 -1.055 1.263 9.138 1.00 0.00 H new ATOM 0 HD11 LEU A 25 0.388 2.915 10.260 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -0.724 3.686 9.104 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -1.057 3.769 10.851 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -0.270 0.850 11.439 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -1.742 1.623 12.075 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -1.862 0.112 11.143 1.00 0.00 H new ATOM 352 N LEU A 26 -1.663 1.309 6.673 1.00 0.00 N ATOM 353 CA LEU A 26 -1.012 0.260 5.897 1.00 0.00 C ATOM 354 C LEU A 26 0.468 0.159 6.253 1.00 0.00 C ATOM 355 O LEU A 26 1.229 1.109 6.068 1.00 0.00 O ATOM 356 CB LEU A 26 -1.170 0.532 4.400 1.00 0.00 C ATOM 357 CG LEU A 26 -2.450 0.000 3.754 1.00 0.00 C ATOM 358 CD1 LEU A 26 -2.749 0.751 2.465 1.00 0.00 C ATOM 359 CD2 LEU A 26 -2.332 -1.493 3.487 1.00 0.00 C ATOM 0 H LEU A 26 -1.231 2.229 6.585 1.00 0.00 H new ATOM 0 HA LEU A 26 -1.492 -0.688 6.140 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -1.126 1.609 4.240 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -0.316 0.098 3.880 1.00 0.00 H new ATOM 0 HG LEU A 26 -3.277 0.161 4.445 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -3.663 0.359 2.019 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -2.877 1.811 2.683 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -1.921 0.621 1.768 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -3.252 -1.854 3.027 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -1.494 -1.677 2.815 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -2.166 -2.019 4.427 1.00 0.00 H new ATOM 371 N THR A 27 0.871 -1.001 6.764 1.00 0.00 N ATOM 372 CA THR A 27 2.259 -1.228 7.145 1.00 0.00 C ATOM 373 C THR A 27 2.958 -2.149 6.152 1.00 0.00 C ATOM 374 O THR A 27 2.322 -2.990 5.517 1.00 0.00 O ATOM 375 CB THR A 27 2.362 -1.838 8.555 1.00 0.00 C ATOM 376 OG1 THR A 27 2.138 -3.251 8.495 1.00 0.00 O ATOM 377 CG2 THR A 27 1.353 -1.199 9.497 1.00 0.00 C ATOM 0 H THR A 27 0.255 -1.798 6.923 1.00 0.00 H new ATOM 0 HA THR A 27 2.751 -0.255 7.142 1.00 0.00 H new ATOM 0 HB THR A 27 3.364 -1.645 8.937 1.00 0.00 H new ATOM 0 HG1 THR A 27 1.875 -3.578 9.380 1.00 0.00 H new ATOM 0 HG21 THR A 27 1.445 -1.646 10.487 1.00 0.00 H new ATOM 0 HG22 THR A 27 1.545 -0.128 9.564 1.00 0.00 H new ATOM 0 HG23 THR A 27 0.345 -1.364 9.117 1.00 0.00 H new ATOM 385 N TRP A 28 4.270 -1.986 6.023 1.00 0.00 N ATOM 386 CA TRP A 28 5.055 -2.805 5.107 1.00 0.00 C ATOM 387 C TRP A 28 6.468 -3.017 5.641 1.00 0.00 C ATOM 388 O TRP A 28 6.935 -2.273 6.504 1.00 0.00 O ATOM 389 CB TRP A 28 5.113 -2.150 3.726 1.00 0.00 C ATOM 390 CG TRP A 28 5.840 -0.840 3.719 1.00 0.00 C ATOM 391 CD1 TRP A 28 7.164 -0.639 3.454 1.00 0.00 C ATOM 392 CD2 TRP A 28 5.283 0.451 3.993 1.00 0.00 C ATOM 393 NE1 TRP A 28 7.464 0.699 3.546 1.00 0.00 N ATOM 394 CE2 TRP A 28 6.327 1.389 3.874 1.00 0.00 C ATOM 395 CE3 TRP A 28 4.004 0.906 4.324 1.00 0.00 C ATOM 396 CZ2 TRP A 28 6.130 2.752 4.077 1.00 0.00 C ATOM 397 CZ3 TRP A 28 3.809 2.259 4.525 1.00 0.00 C ATOM 398 CH2 TRP A 28 4.867 3.169 4.400 1.00 0.00 C ATOM 0 H TRP A 28 4.812 -1.294 6.541 1.00 0.00 H new ATOM 0 HA TRP A 28 4.569 -3.777 5.021 1.00 0.00 H new ATOM 0 HB2 TRP A 28 5.601 -2.831 3.029 1.00 0.00 H new ATOM 0 HB3 TRP A 28 4.097 -1.995 3.362 1.00 0.00 H new ATOM 0 HD1 TRP A 28 7.872 -1.417 3.208 1.00 0.00 H new ATOM 0 HE1 TRP A 28 8.384 1.112 3.395 1.00 0.00 H new ATOM 0 HE3 TRP A 28 3.182 0.212 4.421 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 6.944 3.455 3.983 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 2.825 2.621 4.783 1.00 0.00 H new ATOM 0 HH2 TRP A 28 4.682 4.221 4.562 1.00 0.00 H new ATOM 409 N THR A 29 7.144 -4.038 5.124 1.00 0.00 N ATOM 410 CA THR A 29 8.503 -4.349 5.550 1.00 0.00 C ATOM 411 C THR A 29 9.530 -3.730 4.608 1.00 0.00 C ATOM 412 O THR A 29 9.533 -4.011 3.410 1.00 0.00 O ATOM 413 CB THR A 29 8.737 -5.870 5.618 1.00 0.00 C ATOM 414 OG1 THR A 29 7.893 -6.451 6.619 1.00 0.00 O ATOM 415 CG2 THR A 29 10.192 -6.180 5.933 1.00 0.00 C ATOM 0 H THR A 29 6.772 -4.664 4.409 1.00 0.00 H new ATOM 0 HA THR A 29 8.626 -3.925 6.547 1.00 0.00 H new ATOM 0 HB THR A 29 8.493 -6.297 4.645 1.00 0.00 H new ATOM 0 HG1 THR A 29 8.046 -7.418 6.655 1.00 0.00 H new ATOM 0 HG21 THR A 29 10.333 -7.260 5.976 1.00 0.00 H new ATOM 0 HG22 THR A 29 10.830 -5.761 5.155 1.00 0.00 H new ATOM 0 HG23 THR A 29 10.458 -5.741 6.895 1.00 0.00 H new ATOM 423 N GLU A 30 10.399 -2.888 5.158 1.00 0.00 N ATOM 424 CA GLU A 30 11.430 -2.230 4.364 1.00 0.00 C ATOM 425 C GLU A 30 12.472 -3.236 3.884 1.00 0.00 C ATOM 426 O GLU A 30 12.919 -4.109 4.629 1.00 0.00 O ATOM 427 CB GLU A 30 12.109 -1.129 5.182 1.00 0.00 C ATOM 428 CG GLU A 30 11.413 0.219 5.084 1.00 0.00 C ATOM 429 CD GLU A 30 11.779 1.149 6.224 1.00 0.00 C ATOM 430 OE1 GLU A 30 12.097 0.647 7.322 1.00 0.00 O ATOM 431 OE2 GLU A 30 11.749 2.380 6.017 1.00 0.00 O ATOM 0 H GLU A 30 10.410 -2.646 6.149 1.00 0.00 H new ATOM 0 HA GLU A 30 10.952 -1.784 3.492 1.00 0.00 H new ATOM 0 HB2 GLU A 30 12.145 -1.435 6.228 1.00 0.00 H new ATOM 0 HB3 GLU A 30 13.140 -1.021 4.846 1.00 0.00 H new ATOM 0 HG2 GLU A 30 11.675 0.691 4.137 1.00 0.00 H new ATOM 0 HG3 GLU A 30 10.334 0.067 5.077 1.00 0.00 H new ATOM 438 N PRO A 31 12.868 -3.114 2.608 1.00 0.00 N ATOM 439 CA PRO A 31 13.861 -4.003 1.999 1.00 0.00 C ATOM 440 C PRO A 31 15.262 -3.779 2.558 1.00 0.00 C ATOM 441 O PRO A 31 15.520 -2.818 3.284 1.00 0.00 O ATOM 442 CB PRO A 31 13.811 -3.628 0.516 1.00 0.00 C ATOM 443 CG PRO A 31 13.319 -2.221 0.497 1.00 0.00 C ATOM 444 CD PRO A 31 12.377 -2.097 1.663 1.00 0.00 C ATOM 0 HA PRO A 31 13.642 -5.053 2.195 1.00 0.00 H new ATOM 0 HB2 PRO A 31 14.795 -3.710 0.054 1.00 0.00 H new ATOM 0 HB3 PRO A 31 13.143 -4.288 -0.037 1.00 0.00 H new ATOM 0 HG2 PRO A 31 14.146 -1.517 0.587 1.00 0.00 H new ATOM 0 HG3 PRO A 31 12.811 -1.998 -0.441 1.00 0.00 H new ATOM 0 HD2 PRO A 31 12.405 -1.098 2.098 1.00 0.00 H new ATOM 0 HD3 PRO A 31 11.345 -2.287 1.368 1.00 0.00 H new ATOM 452 N PRO A 32 16.189 -4.684 2.214 1.00 0.00 N ATOM 453 CA PRO A 32 17.580 -4.605 2.670 1.00 0.00 C ATOM 454 C PRO A 32 18.335 -3.444 2.031 1.00 0.00 C ATOM 455 O PRO A 32 19.523 -3.248 2.285 1.00 0.00 O ATOM 456 CB PRO A 32 18.177 -5.941 2.223 1.00 0.00 C ATOM 457 CG PRO A 32 17.338 -6.362 1.066 1.00 0.00 C ATOM 458 CD PRO A 32 15.952 -5.854 1.352 1.00 0.00 C ATOM 0 HA PRO A 32 17.647 -4.431 3.744 1.00 0.00 H new ATOM 0 HB2 PRO A 32 19.222 -5.831 1.935 1.00 0.00 H new ATOM 0 HB3 PRO A 32 18.143 -6.678 3.025 1.00 0.00 H new ATOM 0 HG2 PRO A 32 17.721 -5.946 0.134 1.00 0.00 H new ATOM 0 HG3 PRO A 32 17.341 -7.446 0.956 1.00 0.00 H new ATOM 0 HD2 PRO A 32 15.428 -5.579 0.437 1.00 0.00 H new ATOM 0 HD3 PRO A 32 15.344 -6.606 1.854 1.00 0.00 H new ATOM 466 N VAL A 33 17.637 -2.676 1.201 1.00 0.00 N ATOM 467 CA VAL A 33 18.241 -1.533 0.527 1.00 0.00 C ATOM 468 C VAL A 33 17.339 -0.306 0.610 1.00 0.00 C ATOM 469 O VAL A 33 16.327 -0.219 -0.084 1.00 0.00 O ATOM 470 CB VAL A 33 18.530 -1.843 -0.954 1.00 0.00 C ATOM 471 CG1 VAL A 33 19.296 -0.699 -1.600 1.00 0.00 C ATOM 472 CG2 VAL A 33 19.298 -3.150 -1.083 1.00 0.00 C ATOM 0 H VAL A 33 16.653 -2.825 0.979 1.00 0.00 H new ATOM 0 HA VAL A 33 19.181 -1.325 1.038 1.00 0.00 H new ATOM 0 HB VAL A 33 17.580 -1.952 -1.477 1.00 0.00 H new ATOM 0 HG11 VAL A 33 19.491 -0.936 -2.646 1.00 0.00 H new ATOM 0 HG12 VAL A 33 18.705 0.215 -1.539 1.00 0.00 H new ATOM 0 HG13 VAL A 33 20.242 -0.554 -1.078 1.00 0.00 H new ATOM 0 HG21 VAL A 33 19.494 -3.354 -2.136 1.00 0.00 H new ATOM 0 HG22 VAL A 33 20.243 -3.071 -0.546 1.00 0.00 H new ATOM 0 HG23 VAL A 33 18.707 -3.962 -0.660 1.00 0.00 H new ATOM 482 N ARG A 34 17.715 0.640 1.465 1.00 0.00 N ATOM 483 CA ARG A 34 16.940 1.863 1.640 1.00 0.00 C ATOM 484 C ARG A 34 16.770 2.594 0.311 1.00 0.00 C ATOM 485 O ARG A 34 17.732 3.067 -0.292 1.00 0.00 O ATOM 486 CB ARG A 34 17.620 2.782 2.656 1.00 0.00 C ATOM 487 CG ARG A 34 16.671 3.766 3.319 1.00 0.00 C ATOM 488 CD ARG A 34 17.174 4.189 4.690 1.00 0.00 C ATOM 489 NE ARG A 34 18.058 5.349 4.614 1.00 0.00 N ATOM 490 CZ ARG A 34 18.619 5.916 5.676 1.00 0.00 C ATOM 491 NH1 ARG A 34 18.390 5.432 6.889 1.00 0.00 N ATOM 492 NH2 ARG A 34 19.412 6.970 5.526 1.00 0.00 N ATOM 0 H ARG A 34 18.551 0.583 2.047 1.00 0.00 H new ATOM 0 HA ARG A 34 15.953 1.588 2.013 1.00 0.00 H new ATOM 0 HB2 ARG A 34 18.093 2.172 3.426 1.00 0.00 H new ATOM 0 HB3 ARG A 34 18.414 3.337 2.157 1.00 0.00 H new ATOM 0 HG2 ARG A 34 16.556 4.645 2.685 1.00 0.00 H new ATOM 0 HG3 ARG A 34 15.685 3.312 3.416 1.00 0.00 H new ATOM 0 HD2 ARG A 34 16.324 4.422 5.332 1.00 0.00 H new ATOM 0 HD3 ARG A 34 17.705 3.358 5.154 1.00 0.00 H new ATOM 0 HE ARG A 34 18.255 5.745 3.695 1.00 0.00 H new ATOM 0 HH11 ARG A 34 17.782 4.622 7.008 1.00 0.00 H new ATOM 0 HH12 ARG A 34 18.822 5.870 7.703 1.00 0.00 H new ATOM 0 HH21 ARG A 34 19.591 7.345 4.595 1.00 0.00 H new ATOM 0 HH22 ARG A 34 19.842 7.405 6.342 1.00 0.00 H new ATOM 506 N PRO A 35 15.516 2.688 -0.156 1.00 0.00 N ATOM 507 CA PRO A 35 15.190 3.359 -1.417 1.00 0.00 C ATOM 508 C PRO A 35 15.377 4.870 -1.335 1.00 0.00 C ATOM 509 O PRO A 35 15.861 5.391 -0.331 1.00 0.00 O ATOM 510 CB PRO A 35 13.714 3.014 -1.632 1.00 0.00 C ATOM 511 CG PRO A 35 13.184 2.752 -0.264 1.00 0.00 C ATOM 512 CD PRO A 35 14.320 2.146 0.512 1.00 0.00 C ATOM 0 HA PRO A 35 15.840 3.036 -2.230 1.00 0.00 H new ATOM 0 HB2 PRO A 35 13.181 3.835 -2.113 1.00 0.00 H new ATOM 0 HB3 PRO A 35 13.601 2.141 -2.275 1.00 0.00 H new ATOM 0 HG2 PRO A 35 12.840 3.674 0.204 1.00 0.00 H new ATOM 0 HG3 PRO A 35 12.331 2.075 -0.299 1.00 0.00 H new ATOM 0 HD2 PRO A 35 14.284 2.429 1.564 1.00 0.00 H new ATOM 0 HD3 PRO A 35 14.297 1.057 0.474 1.00 0.00 H new ATOM 520 N ALA A 36 14.990 5.569 -2.397 1.00 0.00 N ATOM 521 CA ALA A 36 15.113 7.020 -2.443 1.00 0.00 C ATOM 522 C ALA A 36 13.814 7.695 -2.016 1.00 0.00 C ATOM 523 O ALA A 36 13.830 8.740 -1.367 1.00 0.00 O ATOM 524 CB ALA A 36 15.509 7.472 -3.841 1.00 0.00 C ATOM 0 H ALA A 36 14.588 5.153 -3.237 1.00 0.00 H new ATOM 0 HA ALA A 36 15.894 7.316 -1.742 1.00 0.00 H new ATOM 0 HB1 ALA A 36 15.597 8.558 -3.861 1.00 0.00 H new ATOM 0 HB2 ALA A 36 16.466 7.025 -4.110 1.00 0.00 H new ATOM 0 HB3 ALA A 36 14.748 7.157 -4.555 1.00 0.00 H new ATOM 530 N GLY A 37 12.689 7.091 -2.385 1.00 0.00 N ATOM 531 CA GLY A 37 11.396 7.649 -2.032 1.00 0.00 C ATOM 532 C GLY A 37 10.286 6.618 -2.084 1.00 0.00 C ATOM 533 O GLY A 37 10.542 5.429 -2.278 1.00 0.00 O ATOM 0 H GLY A 37 12.649 6.225 -2.922 1.00 0.00 H new ATOM 0 HA2 GLY A 37 11.448 8.072 -1.029 1.00 0.00 H new ATOM 0 HA3 GLY A 37 11.159 8.468 -2.711 1.00 0.00 H new ATOM 537 N TYR A 38 9.050 7.073 -1.910 1.00 0.00 N ATOM 538 CA TYR A 38 7.897 6.181 -1.934 1.00 0.00 C ATOM 539 C TYR A 38 6.742 6.805 -2.710 1.00 0.00 C ATOM 540 O TYR A 38 6.517 8.015 -2.647 1.00 0.00 O ATOM 541 CB TYR A 38 7.450 5.852 -0.508 1.00 0.00 C ATOM 542 CG TYR A 38 8.172 4.669 0.095 1.00 0.00 C ATOM 543 CD1 TYR A 38 8.325 3.486 -0.617 1.00 0.00 C ATOM 544 CD2 TYR A 38 8.703 4.735 1.378 1.00 0.00 C ATOM 545 CE1 TYR A 38 8.984 2.403 -0.069 1.00 0.00 C ATOM 546 CE2 TYR A 38 9.364 3.657 1.934 1.00 0.00 C ATOM 547 CZ TYR A 38 9.502 2.493 1.207 1.00 0.00 C ATOM 548 OH TYR A 38 10.160 1.416 1.756 1.00 0.00 O ATOM 0 H TYR A 38 8.821 8.054 -1.751 1.00 0.00 H new ATOM 0 HA TYR A 38 8.193 5.260 -2.436 1.00 0.00 H new ATOM 0 HB2 TYR A 38 7.610 6.725 0.124 1.00 0.00 H new ATOM 0 HB3 TYR A 38 6.379 5.651 -0.509 1.00 0.00 H new ATOM 0 HD1 TYR A 38 7.922 3.412 -1.616 1.00 0.00 H new ATOM 0 HD2 TYR A 38 8.597 5.645 1.950 1.00 0.00 H new ATOM 0 HE1 TYR A 38 9.093 1.490 -0.636 1.00 0.00 H new ATOM 0 HE2 TYR A 38 9.770 3.725 2.932 1.00 0.00 H new ATOM 0 HH TYR A 38 10.843 1.735 2.383 1.00 0.00 H new ATOM 558 N LEU A 39 6.011 5.972 -3.442 1.00 0.00 N ATOM 559 CA LEU A 39 4.876 6.440 -4.231 1.00 0.00 C ATOM 560 C LEU A 39 3.651 5.562 -3.997 1.00 0.00 C ATOM 561 O LEU A 39 3.443 4.569 -4.695 1.00 0.00 O ATOM 562 CB LEU A 39 5.234 6.450 -5.718 1.00 0.00 C ATOM 563 CG LEU A 39 4.065 6.617 -6.689 1.00 0.00 C ATOM 564 CD1 LEU A 39 3.462 8.007 -6.564 1.00 0.00 C ATOM 565 CD2 LEU A 39 4.516 6.356 -8.118 1.00 0.00 C ATOM 0 H LEU A 39 6.184 4.969 -3.506 1.00 0.00 H new ATOM 0 HA LEU A 39 4.638 7.455 -3.914 1.00 0.00 H new ATOM 0 HB2 LEU A 39 5.945 7.257 -5.895 1.00 0.00 H new ATOM 0 HB3 LEU A 39 5.746 5.517 -5.954 1.00 0.00 H new ATOM 0 HG LEU A 39 3.298 5.886 -6.433 1.00 0.00 H new ATOM 0 HD11 LEU A 39 2.631 8.107 -7.263 1.00 0.00 H new ATOM 0 HD12 LEU A 39 3.101 8.157 -5.547 1.00 0.00 H new ATOM 0 HD13 LEU A 39 4.221 8.755 -6.793 1.00 0.00 H new ATOM 0 HD21 LEU A 39 3.670 6.480 -8.795 1.00 0.00 H new ATOM 0 HD22 LEU A 39 5.302 7.062 -8.386 1.00 0.00 H new ATOM 0 HD23 LEU A 39 4.899 5.339 -8.198 1.00 0.00 H new ATOM 577 N LEU A 40 2.841 5.936 -3.012 1.00 0.00 N ATOM 578 CA LEU A 40 1.634 5.184 -2.687 1.00 0.00 C ATOM 579 C LEU A 40 0.474 5.603 -3.584 1.00 0.00 C ATOM 580 O LEU A 40 0.015 6.744 -3.531 1.00 0.00 O ATOM 581 CB LEU A 40 1.260 5.393 -1.219 1.00 0.00 C ATOM 582 CG LEU A 40 0.095 4.551 -0.697 1.00 0.00 C ATOM 583 CD1 LEU A 40 0.582 3.179 -0.258 1.00 0.00 C ATOM 584 CD2 LEU A 40 -0.606 5.263 0.451 1.00 0.00 C ATOM 0 H LEU A 40 2.998 6.755 -2.425 1.00 0.00 H new ATOM 0 HA LEU A 40 1.837 4.127 -2.857 1.00 0.00 H new ATOM 0 HB2 LEU A 40 2.137 5.182 -0.608 1.00 0.00 H new ATOM 0 HB3 LEU A 40 1.016 6.445 -1.073 1.00 0.00 H new ATOM 0 HG LEU A 40 -0.622 4.417 -1.507 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -0.261 2.594 0.110 1.00 0.00 H new ATOM 0 HD12 LEU A 40 1.037 2.666 -1.105 1.00 0.00 H new ATOM 0 HD13 LEU A 40 1.320 3.292 0.536 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -1.432 4.649 0.810 1.00 0.00 H new ATOM 0 HD22 LEU A 40 0.102 5.429 1.263 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -0.991 6.222 0.104 1.00 0.00 H new ATOM 596 N SER A 41 0.002 4.671 -4.407 1.00 0.00 N ATOM 597 CA SER A 41 -1.104 4.944 -5.317 1.00 0.00 C ATOM 598 C SER A 41 -2.370 4.222 -4.865 1.00 0.00 C ATOM 599 O SER A 41 -2.444 2.994 -4.900 1.00 0.00 O ATOM 600 CB SER A 41 -0.739 4.516 -6.740 1.00 0.00 C ATOM 601 OG SER A 41 -1.021 3.142 -6.947 1.00 0.00 O ATOM 0 H SER A 41 0.369 3.721 -4.462 1.00 0.00 H new ATOM 0 HA SER A 41 -1.295 6.017 -5.306 1.00 0.00 H new ATOM 0 HB2 SER A 41 -1.296 5.117 -7.458 1.00 0.00 H new ATOM 0 HB3 SER A 41 0.319 4.704 -6.920 1.00 0.00 H new ATOM 0 HG SER A 41 -1.177 2.706 -6.083 1.00 0.00 H new ATOM 607 N PHE A 42 -3.364 4.995 -4.441 1.00 0.00 N ATOM 608 CA PHE A 42 -4.628 4.431 -3.981 1.00 0.00 C ATOM 609 C PHE A 42 -5.783 4.892 -4.865 1.00 0.00 C ATOM 610 O PHE A 42 -6.001 6.090 -5.046 1.00 0.00 O ATOM 611 CB PHE A 42 -4.891 4.832 -2.528 1.00 0.00 C ATOM 612 CG PHE A 42 -5.450 6.218 -2.381 1.00 0.00 C ATOM 613 CD1 PHE A 42 -4.619 7.325 -2.451 1.00 0.00 C ATOM 614 CD2 PHE A 42 -6.805 6.415 -2.172 1.00 0.00 C ATOM 615 CE1 PHE A 42 -5.131 8.602 -2.315 1.00 0.00 C ATOM 616 CE2 PHE A 42 -7.323 7.689 -2.036 1.00 0.00 C ATOM 617 CZ PHE A 42 -6.484 8.784 -2.109 1.00 0.00 C ATOM 0 H PHE A 42 -3.319 6.013 -4.406 1.00 0.00 H new ATOM 0 HA PHE A 42 -4.557 3.345 -4.044 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -5.586 4.120 -2.083 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -3.960 4.763 -1.966 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -3.560 7.189 -2.614 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -7.465 5.562 -2.115 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -4.473 9.457 -2.370 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -8.382 7.828 -1.873 1.00 0.00 H new ATOM 0 HZ PHE A 42 -6.886 9.781 -2.005 1.00 0.00 H new ATOM 627 N HIS A 43 -6.521 3.931 -5.412 1.00 0.00 N ATOM 628 CA HIS A 43 -7.655 4.237 -6.278 1.00 0.00 C ATOM 629 C HIS A 43 -8.856 3.363 -5.929 1.00 0.00 C ATOM 630 O HIS A 43 -8.711 2.306 -5.315 1.00 0.00 O ATOM 631 CB HIS A 43 -7.272 4.037 -7.744 1.00 0.00 C ATOM 632 CG HIS A 43 -7.516 2.646 -8.243 1.00 0.00 C ATOM 633 ND1 HIS A 43 -6.812 1.550 -7.790 1.00 0.00 N ATOM 634 CD2 HIS A 43 -8.393 2.175 -9.159 1.00 0.00 C ATOM 635 CE1 HIS A 43 -7.245 0.466 -8.407 1.00 0.00 C ATOM 636 NE2 HIS A 43 -8.205 0.817 -9.243 1.00 0.00 N ATOM 0 H HIS A 43 -6.354 2.935 -5.271 1.00 0.00 H new ATOM 0 HA HIS A 43 -7.930 5.280 -6.121 1.00 0.00 H new ATOM 0 HB2 HIS A 43 -7.837 4.739 -8.358 1.00 0.00 H new ATOM 0 HB3 HIS A 43 -6.217 4.280 -7.872 1.00 0.00 H new ATOM 0 HD2 HIS A 43 -9.108 2.758 -9.720 1.00 0.00 H new ATOM 0 HE1 HIS A 43 -6.877 -0.538 -8.254 1.00 0.00 H new ATOM 0 HE2 HIS A 43 -8.723 0.183 -9.852 1.00 0.00 H new ATOM 645 N THR A 44 -10.043 3.812 -6.324 1.00 0.00 N ATOM 646 CA THR A 44 -11.269 3.073 -6.052 1.00 0.00 C ATOM 647 C THR A 44 -11.695 2.250 -7.263 1.00 0.00 C ATOM 648 O THR A 44 -11.387 2.581 -8.408 1.00 0.00 O ATOM 649 CB THR A 44 -12.420 4.018 -5.658 1.00 0.00 C ATOM 650 OG1 THR A 44 -13.139 4.428 -6.827 1.00 0.00 O ATOM 651 CG2 THR A 44 -11.888 5.242 -4.928 1.00 0.00 C ATOM 0 H THR A 44 -10.181 4.685 -6.834 1.00 0.00 H new ATOM 0 HA THR A 44 -11.056 2.405 -5.218 1.00 0.00 H new ATOM 0 HB THR A 44 -13.092 3.479 -4.990 1.00 0.00 H new ATOM 0 HG1 THR A 44 -13.870 5.027 -6.568 1.00 0.00 H new ATOM 0 HG21 THR A 44 -12.718 5.895 -4.660 1.00 0.00 H new ATOM 0 HG22 THR A 44 -11.366 4.928 -4.024 1.00 0.00 H new ATOM 0 HG23 THR A 44 -11.198 5.781 -5.577 1.00 0.00 H new ATOM 659 N PRO A 45 -12.420 1.151 -7.007 1.00 0.00 N ATOM 660 CA PRO A 45 -12.905 0.258 -8.064 1.00 0.00 C ATOM 661 C PRO A 45 -13.998 0.902 -8.910 1.00 0.00 C ATOM 662 O PRO A 45 -14.555 0.271 -9.807 1.00 0.00 O ATOM 663 CB PRO A 45 -13.464 -0.938 -7.289 1.00 0.00 C ATOM 664 CG PRO A 45 -13.825 -0.389 -5.953 1.00 0.00 C ATOM 665 CD PRO A 45 -12.824 0.696 -5.666 1.00 0.00 C ATOM 0 HA PRO A 45 -12.117 -0.004 -8.770 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -14.334 -1.363 -7.790 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -12.725 -1.734 -7.203 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -14.840 0.008 -5.956 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -13.788 -1.166 -5.189 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -13.264 1.505 -5.083 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -11.974 0.319 -5.097 1.00 0.00 H new ATOM 704 N THR A 49 -7.923 7.526 -9.981 1.00 0.00 N ATOM 705 CA THR A 49 -6.794 7.154 -9.137 1.00 0.00 C ATOM 706 C THR A 49 -6.048 8.388 -8.643 1.00 0.00 C ATOM 707 O THR A 49 -5.902 9.369 -9.372 1.00 0.00 O ATOM 708 CB THR A 49 -5.809 6.239 -9.887 1.00 0.00 C ATOM 709 OG1 THR A 49 -6.407 4.957 -10.114 1.00 0.00 O ATOM 710 CG2 THR A 49 -4.519 6.069 -9.099 1.00 0.00 C ATOM 0 HA THR A 49 -7.202 6.613 -8.283 1.00 0.00 H new ATOM 0 HB THR A 49 -5.573 6.705 -10.844 1.00 0.00 H new ATOM 0 HG1 THR A 49 -5.775 4.381 -10.593 1.00 0.00 H new ATOM 0 HG21 THR A 49 -3.839 5.418 -9.650 1.00 0.00 H new ATOM 0 HG22 THR A 49 -4.051 7.042 -8.953 1.00 0.00 H new ATOM 0 HG23 THR A 49 -4.741 5.624 -8.129 1.00 0.00 H new ATOM 718 N GLN A 50 -5.577 8.332 -7.401 1.00 0.00 N ATOM 719 CA GLN A 50 -4.845 9.446 -6.811 1.00 0.00 C ATOM 720 C GLN A 50 -3.458 9.006 -6.354 1.00 0.00 C ATOM 721 O GLN A 50 -3.312 7.992 -5.673 1.00 0.00 O ATOM 722 CB GLN A 50 -5.623 10.026 -5.628 1.00 0.00 C ATOM 723 CG GLN A 50 -4.999 11.285 -5.048 1.00 0.00 C ATOM 724 CD GLN A 50 -4.756 12.352 -6.096 1.00 0.00 C ATOM 725 OE1 GLN A 50 -5.684 12.803 -6.768 1.00 0.00 O ATOM 726 NE2 GLN A 50 -3.501 12.763 -6.242 1.00 0.00 N ATOM 0 H GLN A 50 -5.689 7.527 -6.784 1.00 0.00 H new ATOM 0 HA GLN A 50 -4.729 10.216 -7.574 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -6.641 10.249 -5.948 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -5.693 9.271 -4.845 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -5.652 11.685 -4.272 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -4.054 11.030 -4.569 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -2.763 12.362 -5.664 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -3.276 13.479 -6.932 1.00 0.00 H new ATOM 735 N GLU A 51 -2.443 9.775 -6.736 1.00 0.00 N ATOM 736 CA GLU A 51 -1.067 9.462 -6.366 1.00 0.00 C ATOM 737 C GLU A 51 -0.594 10.355 -5.223 1.00 0.00 C ATOM 738 O GLU A 51 -0.847 11.561 -5.218 1.00 0.00 O ATOM 739 CB GLU A 51 -0.141 9.626 -7.573 1.00 0.00 C ATOM 740 CG GLU A 51 -0.308 8.538 -8.621 1.00 0.00 C ATOM 741 CD GLU A 51 -1.374 8.874 -9.646 1.00 0.00 C ATOM 742 OE1 GLU A 51 -2.539 9.076 -9.245 1.00 0.00 O ATOM 743 OE2 GLU A 51 -1.043 8.934 -10.848 1.00 0.00 O ATOM 0 H GLU A 51 -2.547 10.618 -7.301 1.00 0.00 H new ATOM 0 HA GLU A 51 -1.035 8.425 -6.031 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -0.328 10.595 -8.035 1.00 0.00 H new ATOM 0 HB3 GLU A 51 0.893 9.631 -7.229 1.00 0.00 H new ATOM 0 HG2 GLU A 51 0.643 8.380 -9.130 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -0.566 7.601 -8.128 1.00 0.00 H new ATOM 750 N ILE A 52 0.092 9.756 -4.256 1.00 0.00 N ATOM 751 CA ILE A 52 0.601 10.497 -3.109 1.00 0.00 C ATOM 752 C ILE A 52 2.094 10.254 -2.915 1.00 0.00 C ATOM 753 O ILE A 52 2.572 9.126 -3.043 1.00 0.00 O ATOM 754 CB ILE A 52 -0.142 10.111 -1.816 1.00 0.00 C ATOM 755 CG1 ILE A 52 -1.655 10.135 -2.045 1.00 0.00 C ATOM 756 CG2 ILE A 52 0.242 11.052 -0.684 1.00 0.00 C ATOM 757 CD1 ILE A 52 -2.445 9.478 -0.934 1.00 0.00 C ATOM 0 H ILE A 52 0.308 8.759 -4.244 1.00 0.00 H new ATOM 0 HA ILE A 52 0.431 11.554 -3.316 1.00 0.00 H new ATOM 0 HB ILE A 52 0.149 9.098 -1.536 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -1.982 11.169 -2.150 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -1.880 9.633 -2.986 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -0.291 10.767 0.223 1.00 0.00 H new ATOM 0 HG22 ILE A 52 1.316 10.991 -0.508 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -0.023 12.074 -0.955 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -3.509 9.532 -1.163 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -2.146 8.434 -0.843 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -2.250 9.994 0.006 1.00 0.00 H new ATOM 769 N LEU A 53 2.825 11.318 -2.605 1.00 0.00 N ATOM 770 CA LEU A 53 4.265 11.222 -2.391 1.00 0.00 C ATOM 771 C LEU A 53 4.579 10.910 -0.931 1.00 0.00 C ATOM 772 O LEU A 53 4.332 11.728 -0.044 1.00 0.00 O ATOM 773 CB LEU A 53 4.950 12.525 -2.805 1.00 0.00 C ATOM 774 CG LEU A 53 6.433 12.418 -3.164 1.00 0.00 C ATOM 775 CD1 LEU A 53 6.839 13.550 -4.095 1.00 0.00 C ATOM 776 CD2 LEU A 53 7.288 12.427 -1.906 1.00 0.00 C ATOM 0 H LEU A 53 2.445 12.258 -2.496 1.00 0.00 H new ATOM 0 HA LEU A 53 4.646 10.407 -3.007 1.00 0.00 H new ATOM 0 HB2 LEU A 53 4.418 12.936 -3.663 1.00 0.00 H new ATOM 0 HB3 LEU A 53 4.844 13.242 -1.991 1.00 0.00 H new ATOM 0 HG LEU A 53 6.595 11.473 -3.682 1.00 0.00 H new ATOM 0 HD11 LEU A 53 7.897 13.458 -4.340 1.00 0.00 H new ATOM 0 HD12 LEU A 53 6.249 13.498 -5.010 1.00 0.00 H new ATOM 0 HD13 LEU A 53 6.662 14.507 -3.603 1.00 0.00 H new ATOM 0 HD21 LEU A 53 8.340 12.350 -2.181 1.00 0.00 H new ATOM 0 HD22 LEU A 53 7.122 13.356 -1.360 1.00 0.00 H new ATOM 0 HD23 LEU A 53 7.015 11.581 -1.275 1.00 0.00 H new ATOM 788 N LEU A 54 5.127 9.724 -0.689 1.00 0.00 N ATOM 789 CA LEU A 54 5.477 9.305 0.663 1.00 0.00 C ATOM 790 C LEU A 54 6.970 9.487 0.920 1.00 0.00 C ATOM 791 O LEU A 54 7.807 9.259 0.047 1.00 0.00 O ATOM 792 CB LEU A 54 5.085 7.843 0.883 1.00 0.00 C ATOM 793 CG LEU A 54 3.681 7.601 1.438 1.00 0.00 C ATOM 794 CD1 LEU A 54 2.671 7.490 0.306 1.00 0.00 C ATOM 795 CD2 LEU A 54 3.657 6.348 2.301 1.00 0.00 C ATOM 0 H LEU A 54 5.338 9.036 -1.412 1.00 0.00 H new ATOM 0 HA LEU A 54 4.927 9.932 1.365 1.00 0.00 H new ATOM 0 HB2 LEU A 54 5.174 7.317 -0.067 1.00 0.00 H new ATOM 0 HB3 LEU A 54 5.806 7.393 1.565 1.00 0.00 H new ATOM 0 HG LEU A 54 3.406 8.452 2.061 1.00 0.00 H new ATOM 0 HD11 LEU A 54 1.678 7.318 0.720 1.00 0.00 H new ATOM 0 HD12 LEU A 54 2.668 8.415 -0.271 1.00 0.00 H new ATOM 0 HD13 LEU A 54 2.942 6.658 -0.343 1.00 0.00 H new ATOM 0 HD21 LEU A 54 2.650 6.192 2.687 1.00 0.00 H new ATOM 0 HD22 LEU A 54 3.953 5.487 1.701 1.00 0.00 H new ATOM 0 HD23 LEU A 54 4.351 6.466 3.133 1.00 0.00 H new ATOM 807 N PRO A 55 7.313 9.906 2.147 1.00 0.00 N ATOM 808 CA PRO A 55 8.706 10.125 2.548 1.00 0.00 C ATOM 809 C PRO A 55 9.486 8.821 2.669 1.00 0.00 C ATOM 810 O PRO A 55 9.397 8.123 3.678 1.00 0.00 O ATOM 811 CB PRO A 55 8.579 10.800 3.916 1.00 0.00 C ATOM 812 CG PRO A 55 7.258 10.351 4.439 1.00 0.00 C ATOM 813 CD PRO A 55 6.367 10.197 3.238 1.00 0.00 C ATOM 0 HA PRO A 55 9.253 10.717 1.814 1.00 0.00 H new ATOM 0 HB2 PRO A 55 9.390 10.503 4.581 1.00 0.00 H new ATOM 0 HB3 PRO A 55 8.621 11.886 3.827 1.00 0.00 H new ATOM 0 HG2 PRO A 55 7.352 9.409 4.978 1.00 0.00 H new ATOM 0 HG3 PRO A 55 6.847 11.079 5.139 1.00 0.00 H new ATOM 0 HD2 PRO A 55 5.648 9.389 3.372 1.00 0.00 H new ATOM 0 HD3 PRO A 55 5.795 11.104 3.043 1.00 0.00 H new ATOM 821 N GLY A 56 10.253 8.497 1.632 1.00 0.00 N ATOM 822 CA GLY A 56 11.038 7.277 1.642 1.00 0.00 C ATOM 823 C GLY A 56 11.796 7.086 2.941 1.00 0.00 C ATOM 824 O GLY A 56 12.876 7.646 3.126 1.00 0.00 O ATOM 0 H GLY A 56 10.344 9.058 0.785 1.00 0.00 H new ATOM 0 HA2 GLY A 56 10.380 6.424 1.480 1.00 0.00 H new ATOM 0 HA3 GLY A 56 11.744 7.296 0.812 1.00 0.00 H new ATOM 828 N GLY A 57 11.228 6.294 3.845 1.00 0.00 N ATOM 829 CA GLY A 57 11.870 6.047 5.123 1.00 0.00 C ATOM 830 C GLY A 57 10.947 5.365 6.113 1.00 0.00 C ATOM 831 O GLY A 57 11.393 4.569 6.940 1.00 0.00 O ATOM 0 H GLY A 57 10.335 5.819 3.715 1.00 0.00 H new ATOM 0 HA2 GLY A 57 12.754 5.428 4.969 1.00 0.00 H new ATOM 0 HA3 GLY A 57 12.213 6.993 5.543 1.00 0.00 H new ATOM 835 N ILE A 58 9.659 5.679 6.031 1.00 0.00 N ATOM 836 CA ILE A 58 8.672 5.092 6.929 1.00 0.00 C ATOM 837 C ILE A 58 8.292 3.684 6.482 1.00 0.00 C ATOM 838 O ILE A 58 8.659 3.246 5.391 1.00 0.00 O ATOM 839 CB ILE A 58 7.398 5.954 7.006 1.00 0.00 C ATOM 840 CG1 ILE A 58 6.431 5.577 5.882 1.00 0.00 C ATOM 841 CG2 ILE A 58 7.754 7.432 6.933 1.00 0.00 C ATOM 842 CD1 ILE A 58 5.248 6.513 5.764 1.00 0.00 C ATOM 0 H ILE A 58 9.274 6.336 5.352 1.00 0.00 H new ATOM 0 HA ILE A 58 9.131 5.047 7.917 1.00 0.00 H new ATOM 0 HB ILE A 58 6.906 5.765 7.960 1.00 0.00 H new ATOM 0 HG12 ILE A 58 6.972 5.567 4.936 1.00 0.00 H new ATOM 0 HG13 ILE A 58 6.067 4.564 6.051 1.00 0.00 H new ATOM 0 HG21 ILE A 58 6.844 8.029 6.989 1.00 0.00 H new ATOM 0 HG22 ILE A 58 8.408 7.690 7.766 1.00 0.00 H new ATOM 0 HG23 ILE A 58 8.265 7.637 5.992 1.00 0.00 H new ATOM 0 HD11 ILE A 58 4.605 6.185 4.947 1.00 0.00 H new ATOM 0 HD12 ILE A 58 4.683 6.505 6.696 1.00 0.00 H new ATOM 0 HD13 ILE A 58 5.603 7.524 5.563 1.00 0.00 H new ATOM 854 N THR A 59 7.553 2.979 7.332 1.00 0.00 N ATOM 855 CA THR A 59 7.122 1.620 7.026 1.00 0.00 C ATOM 856 C THR A 59 5.608 1.486 7.136 1.00 0.00 C ATOM 857 O THR A 59 5.036 0.464 6.754 1.00 0.00 O ATOM 858 CB THR A 59 7.787 0.595 7.964 1.00 0.00 C ATOM 859 OG1 THR A 59 7.655 1.019 9.325 1.00 0.00 O ATOM 860 CG2 THR A 59 9.259 0.423 7.621 1.00 0.00 C ATOM 0 H THR A 59 7.240 3.326 8.238 1.00 0.00 H new ATOM 0 HA THR A 59 7.428 1.414 6.000 1.00 0.00 H new ATOM 0 HB THR A 59 7.286 -0.364 7.833 1.00 0.00 H new ATOM 0 HG1 THR A 59 8.079 0.361 9.915 1.00 0.00 H new ATOM 0 HG21 THR A 59 9.707 -0.305 8.297 1.00 0.00 H new ATOM 0 HG22 THR A 59 9.355 0.072 6.594 1.00 0.00 H new ATOM 0 HG23 THR A 59 9.771 1.379 7.727 1.00 0.00 H new ATOM 868 N SER A 60 4.962 2.523 7.661 1.00 0.00 N ATOM 869 CA SER A 60 3.513 2.518 7.824 1.00 0.00 C ATOM 870 C SER A 60 2.945 3.926 7.669 1.00 0.00 C ATOM 871 O SER A 60 3.349 4.852 8.372 1.00 0.00 O ATOM 872 CB SER A 60 3.135 1.952 9.194 1.00 0.00 C ATOM 873 OG SER A 60 4.026 0.921 9.583 1.00 0.00 O ATOM 0 H SER A 60 5.419 3.377 7.981 1.00 0.00 H new ATOM 0 HA SER A 60 3.086 1.884 7.047 1.00 0.00 H new ATOM 0 HB2 SER A 60 3.150 2.749 9.937 1.00 0.00 H new ATOM 0 HB3 SER A 60 2.117 1.564 9.163 1.00 0.00 H new ATOM 0 HG SER A 60 3.764 0.577 10.462 1.00 0.00 H new ATOM 879 N HIS A 61 2.005 4.078 6.742 1.00 0.00 N ATOM 880 CA HIS A 61 1.379 5.372 6.493 1.00 0.00 C ATOM 881 C HIS A 61 -0.105 5.335 6.846 1.00 0.00 C ATOM 882 O HIS A 61 -0.746 4.288 6.763 1.00 0.00 O ATOM 883 CB HIS A 61 1.557 5.775 5.028 1.00 0.00 C ATOM 884 CG HIS A 61 1.535 7.256 4.808 1.00 0.00 C ATOM 885 ND1 HIS A 61 0.963 7.843 3.699 1.00 0.00 N ATOM 886 CD2 HIS A 61 2.019 8.270 5.562 1.00 0.00 C ATOM 887 CE1 HIS A 61 1.097 9.155 3.780 1.00 0.00 C ATOM 888 NE2 HIS A 61 1.734 9.440 4.902 1.00 0.00 N ATOM 0 H HIS A 61 1.660 3.322 6.151 1.00 0.00 H new ATOM 0 HA HIS A 61 1.867 6.112 7.128 1.00 0.00 H new ATOM 0 HB2 HIS A 61 2.503 5.376 4.662 1.00 0.00 H new ATOM 0 HB3 HIS A 61 0.766 5.316 4.435 1.00 0.00 H new ATOM 0 HD2 HIS A 61 2.534 8.177 6.507 1.00 0.00 H new ATOM 0 HE1 HIS A 61 0.746 9.872 3.053 1.00 0.00 H new ATOM 0 HE2 HIS A 61 1.975 10.377 5.225 1.00 0.00 H new ATOM 897 N GLN A 62 -0.642 6.484 7.242 1.00 0.00 N ATOM 898 CA GLN A 62 -2.050 6.582 7.609 1.00 0.00 C ATOM 899 C GLN A 62 -2.846 7.306 6.528 1.00 0.00 C ATOM 900 O GLN A 62 -2.697 8.513 6.336 1.00 0.00 O ATOM 901 CB GLN A 62 -2.201 7.312 8.945 1.00 0.00 C ATOM 902 CG GLN A 62 -3.647 7.532 9.358 1.00 0.00 C ATOM 903 CD GLN A 62 -4.306 6.268 9.875 1.00 0.00 C ATOM 904 OE1 GLN A 62 -5.150 5.660 9.050 1.00 0.00 O flip ATOM 905 NE2 GLN A 62 -4.058 5.843 11.004 1.00 0.00 N flip ATOM 0 H GLN A 62 -0.124 7.360 7.317 1.00 0.00 H new ATOM 0 HA GLN A 62 -2.444 5.571 7.709 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -1.693 6.740 9.721 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -1.699 8.278 8.881 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -3.687 8.300 10.130 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -4.211 7.908 8.505 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -3.402 6.343 11.604 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -4.508 4.991 11.339 1.00 0.00 H new ATOM 914 N LEU A 63 -3.691 6.561 5.824 1.00 0.00 N ATOM 915 CA LEU A 63 -4.512 7.132 4.761 1.00 0.00 C ATOM 916 C LEU A 63 -5.705 7.886 5.340 1.00 0.00 C ATOM 917 O LEU A 63 -6.314 7.450 6.317 1.00 0.00 O ATOM 918 CB LEU A 63 -4.999 6.030 3.819 1.00 0.00 C ATOM 919 CG LEU A 63 -3.964 5.483 2.835 1.00 0.00 C ATOM 920 CD1 LEU A 63 -4.534 4.305 2.060 1.00 0.00 C ATOM 921 CD2 LEU A 63 -3.503 6.576 1.882 1.00 0.00 C ATOM 0 H LEU A 63 -3.826 5.561 5.970 1.00 0.00 H new ATOM 0 HA LEU A 63 -3.898 7.837 4.200 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -5.371 5.202 4.422 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -5.845 6.414 3.249 1.00 0.00 H new ATOM 0 HG LEU A 63 -3.101 5.135 3.403 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -3.783 3.929 1.365 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -4.814 3.513 2.755 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -5.414 4.627 1.504 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -2.767 6.168 1.189 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -4.358 6.954 1.322 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -3.054 7.390 2.451 1.00 0.00 H new ATOM 933 N LEU A 64 -6.034 9.019 4.729 1.00 0.00 N ATOM 934 CA LEU A 64 -7.157 9.833 5.181 1.00 0.00 C ATOM 935 C LEU A 64 -8.168 10.039 4.058 1.00 0.00 C ATOM 936 O LEU A 64 -7.864 9.817 2.887 1.00 0.00 O ATOM 937 CB LEU A 64 -6.658 11.188 5.688 1.00 0.00 C ATOM 938 CG LEU A 64 -5.419 11.154 6.584 1.00 0.00 C ATOM 939 CD1 LEU A 64 -4.896 12.562 6.823 1.00 0.00 C ATOM 940 CD2 LEU A 64 -5.736 10.469 7.905 1.00 0.00 C ATOM 0 H LEU A 64 -5.539 9.395 3.920 1.00 0.00 H new ATOM 0 HA LEU A 64 -7.651 9.305 5.997 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -6.441 11.819 4.826 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -7.467 11.668 6.239 1.00 0.00 H new ATOM 0 HG LEU A 64 -4.642 10.581 6.078 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -4.014 12.519 7.462 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -4.631 13.018 5.869 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -5.668 13.159 7.309 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -4.843 10.454 8.530 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -6.528 11.015 8.417 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -6.064 9.447 7.715 1.00 0.00 H new ATOM 952 N GLY A 65 -9.373 10.467 4.424 1.00 0.00 N ATOM 953 CA GLY A 65 -10.410 10.697 3.435 1.00 0.00 C ATOM 954 C GLY A 65 -10.795 9.433 2.693 1.00 0.00 C ATOM 955 O GLY A 65 -10.445 9.259 1.525 1.00 0.00 O ATOM 0 H GLY A 65 -9.649 10.658 5.387 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -11.291 11.109 3.927 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -10.066 11.444 2.720 1.00 0.00 H new ATOM 959 N LEU A 66 -11.515 8.547 3.371 1.00 0.00 N ATOM 960 CA LEU A 66 -11.947 7.290 2.769 1.00 0.00 C ATOM 961 C LEU A 66 -13.462 7.138 2.853 1.00 0.00 C ATOM 962 O LEU A 66 -14.128 7.854 3.602 1.00 0.00 O ATOM 963 CB LEU A 66 -11.265 6.109 3.462 1.00 0.00 C ATOM 964 CG LEU A 66 -9.739 6.159 3.527 1.00 0.00 C ATOM 965 CD1 LEU A 66 -9.204 5.029 4.393 1.00 0.00 C ATOM 966 CD2 LEU A 66 -9.143 6.088 2.128 1.00 0.00 C ATOM 0 H LEU A 66 -11.812 8.675 4.338 1.00 0.00 H new ATOM 0 HA LEU A 66 -11.660 7.302 1.718 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -11.650 6.039 4.479 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -11.557 5.194 2.947 1.00 0.00 H new ATOM 0 HG LEU A 66 -9.445 7.106 3.979 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -8.116 5.081 4.427 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -9.604 5.124 5.403 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -9.508 4.071 3.971 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -8.056 6.125 2.193 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -9.446 5.157 1.650 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -9.500 6.932 1.537 1.00 0.00 H new ATOM 978 N PHE A 67 -14.002 6.200 2.082 1.00 0.00 N ATOM 979 CA PHE A 67 -15.439 5.953 2.070 1.00 0.00 C ATOM 980 C PHE A 67 -15.787 4.727 2.909 1.00 0.00 C ATOM 981 O PHE A 67 -15.033 3.755 2.977 1.00 0.00 O ATOM 982 CB PHE A 67 -15.932 5.760 0.634 1.00 0.00 C ATOM 983 CG PHE A 67 -15.827 6.999 -0.208 1.00 0.00 C ATOM 984 CD1 PHE A 67 -16.198 8.232 0.302 1.00 0.00 C ATOM 985 CD2 PHE A 67 -15.357 6.930 -1.509 1.00 0.00 C ATOM 986 CE1 PHE A 67 -16.103 9.374 -0.471 1.00 0.00 C ATOM 987 CE2 PHE A 67 -15.259 8.068 -2.287 1.00 0.00 C ATOM 988 CZ PHE A 67 -15.632 9.292 -1.766 1.00 0.00 C ATOM 0 H PHE A 67 -13.466 5.598 1.457 1.00 0.00 H new ATOM 0 HA PHE A 67 -15.936 6.821 2.504 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -15.356 4.962 0.165 1.00 0.00 H new ATOM 0 HB3 PHE A 67 -16.971 5.433 0.656 1.00 0.00 H new ATOM 0 HD1 PHE A 67 -16.566 8.302 1.315 1.00 0.00 H new ATOM 0 HD2 PHE A 67 -15.064 5.976 -1.920 1.00 0.00 H new ATOM 0 HE1 PHE A 67 -16.397 10.329 -0.062 1.00 0.00 H new ATOM 0 HE2 PHE A 67 -14.892 8.001 -3.300 1.00 0.00 H new ATOM 0 HZ PHE A 67 -15.555 10.183 -2.371 1.00 0.00 H new ATOM 998 N PRO A 68 -16.956 4.772 3.565 1.00 0.00 N ATOM 999 CA PRO A 68 -17.431 3.673 4.411 1.00 0.00 C ATOM 1000 C PRO A 68 -17.822 2.443 3.600 1.00 0.00 C ATOM 1001 O PRO A 68 -18.698 2.509 2.737 1.00 0.00 O ATOM 1002 CB PRO A 68 -18.659 4.267 5.106 1.00 0.00 C ATOM 1003 CG PRO A 68 -19.136 5.337 4.185 1.00 0.00 C ATOM 1004 CD PRO A 68 -17.904 5.898 3.530 1.00 0.00 C ATOM 0 HA PRO A 68 -16.660 3.326 5.099 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -19.428 3.511 5.266 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -18.402 4.673 6.085 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -19.824 4.934 3.442 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -19.674 6.111 4.732 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -18.104 6.223 2.509 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -17.520 6.763 4.070 1.00 0.00 H new ATOM 1012 N SER A 69 -17.167 1.321 3.882 1.00 0.00 N ATOM 1013 CA SER A 69 -17.444 0.076 3.175 1.00 0.00 C ATOM 1014 C SER A 69 -17.043 0.184 1.707 1.00 0.00 C ATOM 1015 O SER A 69 -17.699 -0.377 0.829 1.00 0.00 O ATOM 1016 CB SER A 69 -18.928 -0.278 3.286 1.00 0.00 C ATOM 1017 OG SER A 69 -19.191 -1.553 2.724 1.00 0.00 O ATOM 0 H SER A 69 -16.441 1.249 4.595 1.00 0.00 H new ATOM 0 HA SER A 69 -16.853 -0.715 3.637 1.00 0.00 H new ATOM 0 HB2 SER A 69 -19.230 -0.269 4.333 1.00 0.00 H new ATOM 0 HB3 SER A 69 -19.525 0.478 2.776 1.00 0.00 H new ATOM 0 HG SER A 69 -18.833 -1.589 1.812 1.00 0.00 H new ATOM 1023 N THR A 70 -15.959 0.909 1.448 1.00 0.00 N ATOM 1024 CA THR A 70 -15.470 1.093 0.087 1.00 0.00 C ATOM 1025 C THR A 70 -14.109 0.433 -0.101 1.00 0.00 C ATOM 1026 O THR A 70 -13.129 0.816 0.537 1.00 0.00 O ATOM 1027 CB THR A 70 -15.358 2.586 -0.273 1.00 0.00 C ATOM 1028 OG1 THR A 70 -16.652 3.198 -0.234 1.00 0.00 O ATOM 1029 CG2 THR A 70 -14.747 2.765 -1.655 1.00 0.00 C ATOM 0 H THR A 70 -15.403 1.378 2.163 1.00 0.00 H new ATOM 0 HA THR A 70 -16.195 0.621 -0.576 1.00 0.00 H new ATOM 0 HB THR A 70 -14.708 3.066 0.459 1.00 0.00 H new ATOM 0 HG1 THR A 70 -16.801 3.702 -1.061 1.00 0.00 H new ATOM 0 HG21 THR A 70 -14.678 3.828 -1.887 1.00 0.00 H new ATOM 0 HG22 THR A 70 -13.750 2.324 -1.672 1.00 0.00 H new ATOM 0 HG23 THR A 70 -15.375 2.271 -2.397 1.00 0.00 H new ATOM 1037 N SER A 71 -14.055 -0.562 -0.982 1.00 0.00 N ATOM 1038 CA SER A 71 -12.814 -1.277 -1.252 1.00 0.00 C ATOM 1039 C SER A 71 -11.794 -0.362 -1.923 1.00 0.00 C ATOM 1040 O SER A 71 -12.141 0.448 -2.783 1.00 0.00 O ATOM 1041 CB SER A 71 -13.085 -2.494 -2.139 1.00 0.00 C ATOM 1042 OG SER A 71 -11.921 -3.289 -2.284 1.00 0.00 O ATOM 0 H SER A 71 -14.857 -0.890 -1.520 1.00 0.00 H new ATOM 0 HA SER A 71 -12.403 -1.614 -0.300 1.00 0.00 H new ATOM 0 HB2 SER A 71 -13.886 -3.093 -1.706 1.00 0.00 H new ATOM 0 HB3 SER A 71 -13.428 -2.164 -3.120 1.00 0.00 H new ATOM 0 HG SER A 71 -12.121 -4.061 -2.854 1.00 0.00 H new ATOM 1048 N TYR A 72 -10.535 -0.498 -1.523 1.00 0.00 N ATOM 1049 CA TYR A 72 -9.463 0.318 -2.083 1.00 0.00 C ATOM 1050 C TYR A 72 -8.276 -0.548 -2.492 1.00 0.00 C ATOM 1051 O TYR A 72 -8.174 -1.708 -2.095 1.00 0.00 O ATOM 1052 CB TYR A 72 -9.015 1.373 -1.070 1.00 0.00 C ATOM 1053 CG TYR A 72 -9.922 2.581 -1.013 1.00 0.00 C ATOM 1054 CD1 TYR A 72 -9.723 3.665 -1.860 1.00 0.00 C ATOM 1055 CD2 TYR A 72 -10.978 2.639 -0.113 1.00 0.00 C ATOM 1056 CE1 TYR A 72 -10.548 4.771 -1.810 1.00 0.00 C ATOM 1057 CE2 TYR A 72 -11.810 3.741 -0.057 1.00 0.00 C ATOM 1058 CZ TYR A 72 -11.591 4.804 -0.907 1.00 0.00 C ATOM 1059 OH TYR A 72 -12.416 5.904 -0.856 1.00 0.00 O ATOM 0 H TYR A 72 -10.231 -1.165 -0.814 1.00 0.00 H new ATOM 0 HA TYR A 72 -9.847 0.818 -2.972 1.00 0.00 H new ATOM 0 HB2 TYR A 72 -8.968 0.918 -0.081 1.00 0.00 H new ATOM 0 HB3 TYR A 72 -8.005 1.699 -1.320 1.00 0.00 H new ATOM 0 HD1 TYR A 72 -8.909 3.642 -2.569 1.00 0.00 H new ATOM 0 HD2 TYR A 72 -11.152 1.808 0.555 1.00 0.00 H new ATOM 0 HE1 TYR A 72 -10.378 5.606 -2.474 1.00 0.00 H new ATOM 0 HE2 TYR A 72 -12.627 3.769 0.649 1.00 0.00 H new ATOM 0 HH TYR A 72 -13.303 5.663 -1.195 1.00 0.00 H new ATOM 1069 N ASN A 73 -7.379 0.025 -3.288 1.00 0.00 N ATOM 1070 CA ASN A 73 -6.198 -0.693 -3.751 1.00 0.00 C ATOM 1071 C ASN A 73 -4.960 0.196 -3.684 1.00 0.00 C ATOM 1072 O ASN A 73 -4.781 1.091 -4.509 1.00 0.00 O ATOM 1073 CB ASN A 73 -6.406 -1.190 -5.183 1.00 0.00 C ATOM 1074 CG ASN A 73 -5.237 -2.016 -5.685 1.00 0.00 C ATOM 1075 OD1 ASN A 73 -4.104 -1.539 -5.738 1.00 0.00 O ATOM 1076 ND2 ASN A 73 -5.509 -3.261 -6.056 1.00 0.00 N ATOM 0 H ASN A 73 -7.448 0.985 -3.626 1.00 0.00 H new ATOM 0 HA ASN A 73 -6.044 -1.550 -3.095 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -7.316 -1.788 -5.228 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -6.553 -0.335 -5.843 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -4.763 -3.864 -6.402 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -6.464 -3.614 -5.995 1.00 0.00 H new ATOM 1083 N ALA A 74 -4.108 -0.059 -2.697 1.00 0.00 N ATOM 1084 CA ALA A 74 -2.885 0.716 -2.524 1.00 0.00 C ATOM 1085 C ALA A 74 -1.706 0.043 -3.218 1.00 0.00 C ATOM 1086 O ALA A 74 -1.691 -1.175 -3.397 1.00 0.00 O ATOM 1087 CB ALA A 74 -2.588 0.909 -1.044 1.00 0.00 C ATOM 0 H ALA A 74 -4.242 -0.796 -2.005 1.00 0.00 H new ATOM 0 HA ALA A 74 -3.035 1.693 -2.984 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -1.672 1.489 -0.929 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -3.415 1.440 -0.573 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -2.463 -0.064 -0.568 1.00 0.00 H new ATOM 1093 N ARG A 75 -0.720 0.844 -3.609 1.00 0.00 N ATOM 1094 CA ARG A 75 0.463 0.326 -4.286 1.00 0.00 C ATOM 1095 C ARG A 75 1.722 1.041 -3.804 1.00 0.00 C ATOM 1096 O ARG A 75 1.917 2.227 -4.073 1.00 0.00 O ATOM 1097 CB ARG A 75 0.320 0.486 -5.801 1.00 0.00 C ATOM 1098 CG ARG A 75 1.123 -0.529 -6.598 1.00 0.00 C ATOM 1099 CD ARG A 75 0.975 -0.304 -8.095 1.00 0.00 C ATOM 1100 NE ARG A 75 -0.379 -0.589 -8.560 1.00 0.00 N ATOM 1101 CZ ARG A 75 -0.738 -0.563 -9.839 1.00 0.00 C ATOM 1102 NH1 ARG A 75 0.154 -0.268 -10.775 1.00 0.00 N ATOM 1103 NH2 ARG A 75 -1.990 -0.834 -10.184 1.00 0.00 N ATOM 0 H ARG A 75 -0.717 1.854 -3.469 1.00 0.00 H new ATOM 0 HA ARG A 75 0.554 -0.733 -4.046 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -0.733 0.396 -6.070 1.00 0.00 H new ATOM 0 HB3 ARG A 75 0.637 1.490 -6.084 1.00 0.00 H new ATOM 0 HG2 ARG A 75 2.175 -0.461 -6.321 1.00 0.00 H new ATOM 0 HG3 ARG A 75 0.791 -1.536 -6.346 1.00 0.00 H new ATOM 0 HD2 ARG A 75 1.230 0.729 -8.333 1.00 0.00 H new ATOM 0 HD3 ARG A 75 1.683 -0.939 -8.629 1.00 0.00 H new ATOM 0 HE ARG A 75 -1.089 -0.821 -7.865 1.00 0.00 H new ATOM 0 HH11 ARG A 75 1.118 -0.061 -10.514 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -0.124 -0.249 -11.756 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -2.678 -1.063 -9.467 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -2.264 -0.814 -11.166 1.00 0.00 H new ATOM 1117 N LEU A 76 2.573 0.312 -3.091 1.00 0.00 N ATOM 1118 CA LEU A 76 3.814 0.876 -2.571 1.00 0.00 C ATOM 1119 C LEU A 76 4.950 0.711 -3.576 1.00 0.00 C ATOM 1120 O LEU A 76 5.397 -0.403 -3.844 1.00 0.00 O ATOM 1121 CB LEU A 76 4.188 0.205 -1.248 1.00 0.00 C ATOM 1122 CG LEU A 76 5.293 0.885 -0.439 1.00 0.00 C ATOM 1123 CD1 LEU A 76 4.734 2.065 0.340 1.00 0.00 C ATOM 1124 CD2 LEU A 76 5.955 -0.112 0.501 1.00 0.00 C ATOM 0 H LEU A 76 2.427 -0.671 -2.860 1.00 0.00 H new ATOM 0 HA LEU A 76 3.656 1.941 -2.399 1.00 0.00 H new ATOM 0 HB2 LEU A 76 3.294 0.148 -0.627 1.00 0.00 H new ATOM 0 HB3 LEU A 76 4.497 -0.819 -1.458 1.00 0.00 H new ATOM 0 HG LEU A 76 6.048 1.258 -1.131 1.00 0.00 H new ATOM 0 HD11 LEU A 76 5.534 2.537 0.910 1.00 0.00 H new ATOM 0 HD12 LEU A 76 4.307 2.789 -0.354 1.00 0.00 H new ATOM 0 HD13 LEU A 76 3.959 1.716 1.023 1.00 0.00 H new ATOM 0 HD21 LEU A 76 6.739 0.389 1.069 1.00 0.00 H new ATOM 0 HD22 LEU A 76 5.210 -0.515 1.188 1.00 0.00 H new ATOM 0 HD23 LEU A 76 6.391 -0.925 -0.079 1.00 0.00 H new ATOM 1136 N GLN A 77 5.413 1.829 -4.126 1.00 0.00 N ATOM 1137 CA GLN A 77 6.498 1.809 -5.100 1.00 0.00 C ATOM 1138 C GLN A 77 7.630 2.737 -4.674 1.00 0.00 C ATOM 1139 O GLN A 77 7.411 3.918 -4.409 1.00 0.00 O ATOM 1140 CB GLN A 77 5.980 2.217 -6.481 1.00 0.00 C ATOM 1141 CG GLN A 77 6.756 1.594 -7.630 1.00 0.00 C ATOM 1142 CD GLN A 77 6.620 2.380 -8.919 1.00 0.00 C ATOM 1143 OE1 GLN A 77 5.977 3.429 -8.956 1.00 0.00 O ATOM 1144 NE2 GLN A 77 7.227 1.875 -9.987 1.00 0.00 N ATOM 0 H GLN A 77 5.054 2.760 -3.914 1.00 0.00 H new ATOM 0 HA GLN A 77 6.887 0.792 -5.151 1.00 0.00 H new ATOM 0 HB2 GLN A 77 4.931 1.932 -6.565 1.00 0.00 H new ATOM 0 HB3 GLN A 77 6.024 3.302 -6.570 1.00 0.00 H new ATOM 0 HG2 GLN A 77 7.810 1.528 -7.358 1.00 0.00 H new ATOM 0 HG3 GLN A 77 6.404 0.575 -7.791 1.00 0.00 H new ATOM 0 HE21 GLN A 77 7.750 1.002 -9.912 1.00 0.00 H new ATOM 0 HE22 GLN A 77 7.170 2.360 -10.883 1.00 0.00 H new ATOM 1153 N ALA A 78 8.841 2.194 -4.609 1.00 0.00 N ATOM 1154 CA ALA A 78 10.008 2.974 -4.216 1.00 0.00 C ATOM 1155 C ALA A 78 10.832 3.380 -5.433 1.00 0.00 C ATOM 1156 O ALA A 78 10.971 2.613 -6.385 1.00 0.00 O ATOM 1157 CB ALA A 78 10.865 2.185 -3.236 1.00 0.00 C ATOM 0 H ALA A 78 9.040 1.217 -4.823 1.00 0.00 H new ATOM 0 HA ALA A 78 9.658 3.883 -3.726 1.00 0.00 H new ATOM 0 HB1 ALA A 78 11.733 2.780 -2.951 1.00 0.00 H new ATOM 0 HB2 ALA A 78 10.279 1.950 -2.348 1.00 0.00 H new ATOM 0 HB3 ALA A 78 11.198 1.260 -3.707 1.00 0.00 H new ATOM 1163 N MET A 79 11.376 4.592 -5.396 1.00 0.00 N ATOM 1164 CA MET A 79 12.187 5.100 -6.496 1.00 0.00 C ATOM 1165 C MET A 79 13.652 4.717 -6.314 1.00 0.00 C ATOM 1166 O MET A 79 14.278 5.078 -5.317 1.00 0.00 O ATOM 1167 CB MET A 79 12.053 6.621 -6.597 1.00 0.00 C ATOM 1168 CG MET A 79 10.615 7.099 -6.712 1.00 0.00 C ATOM 1169 SD MET A 79 10.495 8.820 -7.238 1.00 0.00 S ATOM 1170 CE MET A 79 10.072 9.617 -5.690 1.00 0.00 C ATOM 0 H MET A 79 11.270 5.241 -4.616 1.00 0.00 H new ATOM 0 HA MET A 79 11.825 4.649 -7.420 1.00 0.00 H new ATOM 0 HB2 MET A 79 12.509 7.077 -5.718 1.00 0.00 H new ATOM 0 HB3 MET A 79 12.613 6.970 -7.464 1.00 0.00 H new ATOM 0 HG2 MET A 79 10.082 6.468 -7.423 1.00 0.00 H new ATOM 0 HG3 MET A 79 10.119 6.982 -5.748 1.00 0.00 H new ATOM 0 HE1 MET A 79 9.963 10.690 -5.851 1.00 0.00 H new ATOM 0 HE2 MET A 79 9.133 9.209 -5.315 1.00 0.00 H new ATOM 0 HE3 MET A 79 10.862 9.438 -4.961 1.00 0.00 H new ATOM 1180 N TRP A 80 14.192 3.985 -7.282 1.00 0.00 N ATOM 1181 CA TRP A 80 15.584 3.554 -7.227 1.00 0.00 C ATOM 1182 C TRP A 80 16.365 4.079 -8.427 1.00 0.00 C ATOM 1183 O TRP A 80 15.793 4.344 -9.483 1.00 0.00 O ATOM 1184 CB TRP A 80 15.664 2.027 -7.180 1.00 0.00 C ATOM 1185 CG TRP A 80 15.467 1.464 -5.805 1.00 0.00 C ATOM 1186 CD1 TRP A 80 16.408 1.353 -4.822 1.00 0.00 C ATOM 1187 CD2 TRP A 80 14.253 0.932 -5.263 1.00 0.00 C ATOM 1188 NE1 TRP A 80 15.852 0.785 -3.701 1.00 0.00 N ATOM 1189 CE2 TRP A 80 14.531 0.519 -3.946 1.00 0.00 C ATOM 1190 CE3 TRP A 80 12.957 0.768 -5.761 1.00 0.00 C ATOM 1191 CZ2 TRP A 80 13.561 -0.049 -3.124 1.00 0.00 C ATOM 1192 CZ3 TRP A 80 11.996 0.204 -4.945 1.00 0.00 C ATOM 1193 CH2 TRP A 80 12.301 -0.199 -3.638 1.00 0.00 C ATOM 0 H TRP A 80 13.688 3.678 -8.114 1.00 0.00 H new ATOM 0 HA TRP A 80 16.030 3.963 -6.320 1.00 0.00 H new ATOM 0 HB2 TRP A 80 14.909 1.610 -7.847 1.00 0.00 H new ATOM 0 HB3 TRP A 80 16.635 1.709 -7.559 1.00 0.00 H new ATOM 0 HD1 TRP A 80 17.438 1.666 -4.912 1.00 0.00 H new ATOM 0 HE1 TRP A 80 16.343 0.593 -2.828 1.00 0.00 H new ATOM 0 HE3 TRP A 80 12.712 1.077 -6.766 1.00 0.00 H new ATOM 0 HZ2 TRP A 80 13.794 -0.360 -2.117 1.00 0.00 H new ATOM 0 HZ3 TRP A 80 10.992 0.071 -5.321 1.00 0.00 H new ATOM 0 HH2 TRP A 80 11.527 -0.636 -3.024 1.00 0.00 H new ATOM 1204 N GLY A 81 17.675 4.229 -8.255 1.00 0.00 N ATOM 1205 CA GLY A 81 18.512 4.723 -9.333 1.00 0.00 C ATOM 1206 C GLY A 81 18.066 4.218 -10.691 1.00 0.00 C ATOM 1207 O GLY A 81 18.145 3.022 -10.972 1.00 0.00 O ATOM 0 H GLY A 81 18.171 4.017 -7.389 1.00 0.00 H new ATOM 0 HA2 GLY A 81 18.496 5.813 -9.331 1.00 0.00 H new ATOM 0 HA3 GLY A 81 19.544 4.419 -9.156 1.00 0.00 H new ATOM 1211 N GLN A 82 17.596 5.131 -11.535 1.00 0.00 N ATOM 1212 CA GLN A 82 17.134 4.771 -12.870 1.00 0.00 C ATOM 1213 C GLN A 82 16.476 3.395 -12.865 1.00 0.00 C ATOM 1214 O GLN A 82 16.722 2.575 -13.750 1.00 0.00 O ATOM 1215 CB GLN A 82 18.302 4.787 -13.859 1.00 0.00 C ATOM 1216 CG GLN A 82 19.537 4.059 -13.354 1.00 0.00 C ATOM 1217 CD GLN A 82 20.538 3.775 -14.456 1.00 0.00 C ATOM 1218 OE1 GLN A 82 20.322 4.134 -15.614 1.00 0.00 O ATOM 1219 NE2 GLN A 82 21.643 3.129 -14.100 1.00 0.00 N ATOM 0 H GLN A 82 17.525 6.125 -11.318 1.00 0.00 H new ATOM 0 HA GLN A 82 16.393 5.507 -13.182 1.00 0.00 H new ATOM 0 HB2 GLN A 82 17.980 4.332 -14.796 1.00 0.00 H new ATOM 0 HB3 GLN A 82 18.565 5.821 -14.081 1.00 0.00 H new ATOM 0 HG2 GLN A 82 20.016 4.658 -12.579 1.00 0.00 H new ATOM 0 HG3 GLN A 82 19.236 3.119 -12.891 1.00 0.00 H new ATOM 0 HE21 GLN A 82 21.780 2.850 -13.128 1.00 0.00 H new ATOM 0 HE22 GLN A 82 22.354 2.912 -14.798 1.00 0.00 H new ATOM 1228 N SER A 83 15.639 3.148 -11.863 1.00 0.00 N ATOM 1229 CA SER A 83 14.948 1.870 -11.741 1.00 0.00 C ATOM 1230 C SER A 83 13.717 2.001 -10.849 1.00 0.00 C ATOM 1231 O SER A 83 13.694 2.805 -9.917 1.00 0.00 O ATOM 1232 CB SER A 83 15.892 0.808 -11.174 1.00 0.00 C ATOM 1233 OG SER A 83 16.868 0.430 -12.130 1.00 0.00 O ATOM 0 H SER A 83 15.423 3.816 -11.123 1.00 0.00 H new ATOM 0 HA SER A 83 14.624 1.564 -12.736 1.00 0.00 H new ATOM 0 HB2 SER A 83 16.384 1.194 -10.281 1.00 0.00 H new ATOM 0 HB3 SER A 83 15.319 -0.067 -10.869 1.00 0.00 H new ATOM 0 HG SER A 83 16.757 0.968 -12.941 1.00 0.00 H new ATOM 1239 N LEU A 84 12.695 1.204 -11.142 1.00 0.00 N ATOM 1240 CA LEU A 84 11.459 1.229 -10.367 1.00 0.00 C ATOM 1241 C LEU A 84 11.029 -0.183 -9.983 1.00 0.00 C ATOM 1242 O LEU A 84 10.097 -0.740 -10.565 1.00 0.00 O ATOM 1243 CB LEU A 84 10.348 1.914 -11.165 1.00 0.00 C ATOM 1244 CG LEU A 84 10.665 3.313 -11.693 1.00 0.00 C ATOM 1245 CD1 LEU A 84 9.578 3.783 -12.647 1.00 0.00 C ATOM 1246 CD2 LEU A 84 10.828 4.294 -10.541 1.00 0.00 C ATOM 0 H LEU A 84 12.698 0.533 -11.910 1.00 0.00 H new ATOM 0 HA LEU A 84 11.643 1.794 -9.453 1.00 0.00 H new ATOM 0 HB2 LEU A 84 10.091 1.278 -12.012 1.00 0.00 H new ATOM 0 HB3 LEU A 84 9.462 1.978 -10.534 1.00 0.00 H new ATOM 0 HG LEU A 84 11.606 3.269 -12.241 1.00 0.00 H new ATOM 0 HD11 LEU A 84 9.821 4.781 -13.012 1.00 0.00 H new ATOM 0 HD12 LEU A 84 9.511 3.094 -13.489 1.00 0.00 H new ATOM 0 HD13 LEU A 84 8.622 3.811 -12.124 1.00 0.00 H new ATOM 0 HD21 LEU A 84 11.053 5.285 -10.936 1.00 0.00 H new ATOM 0 HD22 LEU A 84 9.904 4.335 -9.964 1.00 0.00 H new ATOM 0 HD23 LEU A 84 11.644 3.966 -9.897 1.00 0.00 H new ATOM 1258 N LEU A 85 11.711 -0.756 -8.998 1.00 0.00 N ATOM 1259 CA LEU A 85 11.398 -2.103 -8.533 1.00 0.00 C ATOM 1260 C LEU A 85 9.893 -2.350 -8.554 1.00 0.00 C ATOM 1261 O LEU A 85 9.086 -1.429 -8.432 1.00 0.00 O ATOM 1262 CB LEU A 85 11.942 -2.315 -7.119 1.00 0.00 C ATOM 1263 CG LEU A 85 13.443 -2.086 -6.936 1.00 0.00 C ATOM 1264 CD1 LEU A 85 13.869 -2.447 -5.521 1.00 0.00 C ATOM 1265 CD2 LEU A 85 14.234 -2.891 -7.955 1.00 0.00 C ATOM 0 H LEU A 85 12.484 -0.309 -8.506 1.00 0.00 H new ATOM 0 HA LEU A 85 11.874 -2.814 -9.209 1.00 0.00 H new ATOM 0 HB2 LEU A 85 11.408 -1.648 -6.442 1.00 0.00 H new ATOM 0 HB3 LEU A 85 11.710 -3.335 -6.811 1.00 0.00 H new ATOM 0 HG LEU A 85 13.652 -1.029 -7.098 1.00 0.00 H new ATOM 0 HD11 LEU A 85 14.940 -2.278 -5.409 1.00 0.00 H new ATOM 0 HD12 LEU A 85 13.327 -1.826 -4.808 1.00 0.00 H new ATOM 0 HD13 LEU A 85 13.646 -3.497 -5.330 1.00 0.00 H new ATOM 0 HD21 LEU A 85 15.300 -2.715 -7.809 1.00 0.00 H new ATOM 0 HD22 LEU A 85 14.020 -3.952 -7.826 1.00 0.00 H new ATOM 0 HD23 LEU A 85 13.950 -2.584 -8.961 1.00 0.00 H new ATOM 1277 N PRO A 86 9.505 -3.625 -8.710 1.00 0.00 N ATOM 1278 CA PRO A 86 8.095 -4.023 -8.747 1.00 0.00 C ATOM 1279 C PRO A 86 7.415 -3.880 -7.389 1.00 0.00 C ATOM 1280 O PRO A 86 7.729 -4.589 -6.433 1.00 0.00 O ATOM 1281 CB PRO A 86 8.153 -5.495 -9.163 1.00 0.00 C ATOM 1282 CG PRO A 86 9.498 -5.960 -8.722 1.00 0.00 C ATOM 1283 CD PRO A 86 10.412 -4.774 -8.861 1.00 0.00 C ATOM 0 HA PRO A 86 7.513 -3.397 -9.423 1.00 0.00 H new ATOM 0 HB2 PRO A 86 7.359 -6.072 -8.689 1.00 0.00 H new ATOM 0 HB3 PRO A 86 8.029 -5.607 -10.240 1.00 0.00 H new ATOM 0 HG2 PRO A 86 9.470 -6.313 -7.691 1.00 0.00 H new ATOM 0 HG3 PRO A 86 9.843 -6.793 -9.335 1.00 0.00 H new ATOM 0 HD2 PRO A 86 11.190 -4.775 -8.098 1.00 0.00 H new ATOM 0 HD3 PRO A 86 10.914 -4.765 -9.828 1.00 0.00 H new ATOM 1291 N PRO A 87 6.461 -2.941 -7.300 1.00 0.00 N ATOM 1292 CA PRO A 87 5.717 -2.683 -6.064 1.00 0.00 C ATOM 1293 C PRO A 87 4.767 -3.823 -5.711 1.00 0.00 C ATOM 1294 O PRO A 87 4.681 -4.818 -6.431 1.00 0.00 O ATOM 1295 CB PRO A 87 4.930 -1.410 -6.382 1.00 0.00 C ATOM 1296 CG PRO A 87 4.787 -1.414 -7.865 1.00 0.00 C ATOM 1297 CD PRO A 87 6.035 -2.059 -8.400 1.00 0.00 C ATOM 0 HA PRO A 87 6.378 -2.587 -5.203 1.00 0.00 H new ATOM 0 HB2 PRO A 87 3.957 -1.413 -5.890 1.00 0.00 H new ATOM 0 HB3 PRO A 87 5.459 -0.521 -6.038 1.00 0.00 H new ATOM 0 HG2 PRO A 87 3.900 -1.969 -8.170 1.00 0.00 H new ATOM 0 HG3 PRO A 87 4.677 -0.400 -8.249 1.00 0.00 H new ATOM 0 HD2 PRO A 87 5.837 -2.621 -9.313 1.00 0.00 H new ATOM 0 HD3 PRO A 87 6.798 -1.319 -8.641 1.00 0.00 H new ATOM 1305 N VAL A 88 4.054 -3.670 -4.600 1.00 0.00 N ATOM 1306 CA VAL A 88 3.108 -4.685 -4.153 1.00 0.00 C ATOM 1307 C VAL A 88 1.713 -4.096 -3.974 1.00 0.00 C ATOM 1308 O VAL A 88 1.545 -3.050 -3.347 1.00 0.00 O ATOM 1309 CB VAL A 88 3.557 -5.325 -2.826 1.00 0.00 C ATOM 1310 CG1 VAL A 88 4.648 -6.356 -3.072 1.00 0.00 C ATOM 1311 CG2 VAL A 88 4.032 -4.256 -1.853 1.00 0.00 C ATOM 0 H VAL A 88 4.114 -2.853 -3.993 1.00 0.00 H new ATOM 0 HA VAL A 88 3.079 -5.452 -4.927 1.00 0.00 H new ATOM 0 HB VAL A 88 2.702 -5.835 -2.381 1.00 0.00 H new ATOM 0 HG11 VAL A 88 4.952 -6.797 -2.123 1.00 0.00 H new ATOM 0 HG12 VAL A 88 4.268 -7.137 -3.730 1.00 0.00 H new ATOM 0 HG13 VAL A 88 5.506 -5.873 -3.539 1.00 0.00 H new ATOM 0 HG21 VAL A 88 4.345 -4.726 -0.921 1.00 0.00 H new ATOM 0 HG22 VAL A 88 4.873 -3.716 -2.288 1.00 0.00 H new ATOM 0 HG23 VAL A 88 3.218 -3.559 -1.652 1.00 0.00 H new ATOM 1321 N SER A 89 0.714 -4.775 -4.529 1.00 0.00 N ATOM 1322 CA SER A 89 -0.667 -4.318 -4.434 1.00 0.00 C ATOM 1323 C SER A 89 -1.418 -5.079 -3.346 1.00 0.00 C ATOM 1324 O SER A 89 -1.270 -6.294 -3.205 1.00 0.00 O ATOM 1325 CB SER A 89 -1.378 -4.492 -5.777 1.00 0.00 C ATOM 1326 OG SER A 89 -1.464 -5.861 -6.135 1.00 0.00 O ATOM 0 H SER A 89 0.836 -5.644 -5.049 1.00 0.00 H new ATOM 0 HA SER A 89 -0.656 -3.260 -4.171 1.00 0.00 H new ATOM 0 HB2 SER A 89 -2.379 -4.064 -5.720 1.00 0.00 H new ATOM 0 HB3 SER A 89 -0.840 -3.944 -6.550 1.00 0.00 H new ATOM 0 HG SER A 89 -1.924 -5.946 -6.996 1.00 0.00 H new ATOM 1332 N THR A 90 -2.226 -4.356 -2.576 1.00 0.00 N ATOM 1333 CA THR A 90 -2.999 -4.961 -1.499 1.00 0.00 C ATOM 1334 C THR A 90 -4.385 -4.335 -1.399 1.00 0.00 C ATOM 1335 O THR A 90 -4.521 -3.114 -1.327 1.00 0.00 O ATOM 1336 CB THR A 90 -2.284 -4.816 -0.143 1.00 0.00 C ATOM 1337 OG1 THR A 90 -2.876 -5.695 0.820 1.00 0.00 O ATOM 1338 CG2 THR A 90 -2.359 -3.382 0.358 1.00 0.00 C ATOM 0 H THR A 90 -2.362 -3.350 -2.679 1.00 0.00 H new ATOM 0 HA THR A 90 -3.097 -6.020 -1.737 1.00 0.00 H new ATOM 0 HB THR A 90 -1.236 -5.082 -0.280 1.00 0.00 H new ATOM 0 HG1 THR A 90 -2.186 -6.017 1.437 1.00 0.00 H new ATOM 0 HG21 THR A 90 -1.847 -3.304 1.317 1.00 0.00 H new ATOM 0 HG22 THR A 90 -1.881 -2.719 -0.363 1.00 0.00 H new ATOM 0 HG23 THR A 90 -3.403 -3.093 0.480 1.00 0.00 H new ATOM 1346 N SER A 91 -5.412 -5.179 -1.394 1.00 0.00 N ATOM 1347 CA SER A 91 -6.789 -4.707 -1.305 1.00 0.00 C ATOM 1348 C SER A 91 -7.304 -4.799 0.128 1.00 0.00 C ATOM 1349 O SER A 91 -6.987 -5.741 0.854 1.00 0.00 O ATOM 1350 CB SER A 91 -7.690 -5.521 -2.236 1.00 0.00 C ATOM 1351 OG SER A 91 -7.801 -6.862 -1.794 1.00 0.00 O ATOM 0 H SER A 91 -5.317 -6.193 -1.451 1.00 0.00 H new ATOM 0 HA SER A 91 -6.809 -3.662 -1.613 1.00 0.00 H new ATOM 0 HB2 SER A 91 -8.680 -5.066 -2.279 1.00 0.00 H new ATOM 0 HB3 SER A 91 -7.286 -5.501 -3.248 1.00 0.00 H new ATOM 0 HG SER A 91 -8.383 -7.361 -2.405 1.00 0.00 H new ATOM 1357 N PHE A 92 -8.100 -3.813 0.529 1.00 0.00 N ATOM 1358 CA PHE A 92 -8.659 -3.781 1.875 1.00 0.00 C ATOM 1359 C PHE A 92 -9.990 -3.035 1.894 1.00 0.00 C ATOM 1360 O PHE A 92 -10.126 -1.968 1.294 1.00 0.00 O ATOM 1361 CB PHE A 92 -7.676 -3.119 2.842 1.00 0.00 C ATOM 1362 CG PHE A 92 -7.393 -1.680 2.518 1.00 0.00 C ATOM 1363 CD1 PHE A 92 -6.494 -1.345 1.518 1.00 0.00 C ATOM 1364 CD2 PHE A 92 -8.026 -0.662 3.212 1.00 0.00 C ATOM 1365 CE1 PHE A 92 -6.231 -0.022 1.216 1.00 0.00 C ATOM 1366 CE2 PHE A 92 -7.768 0.663 2.915 1.00 0.00 C ATOM 1367 CZ PHE A 92 -6.869 0.983 1.916 1.00 0.00 C ATOM 0 H PHE A 92 -8.372 -3.026 -0.059 1.00 0.00 H new ATOM 0 HA PHE A 92 -8.835 -4.809 2.193 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -8.075 -3.183 3.854 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -6.739 -3.676 2.833 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -5.993 -2.127 0.968 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -8.729 -0.906 3.994 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -5.528 0.225 0.434 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -8.269 1.447 3.463 1.00 0.00 H new ATOM 0 HZ PHE A 92 -6.665 2.018 1.683 1.00 0.00 H new ATOM 1377 N THR A 93 -10.971 -3.604 2.587 1.00 0.00 N ATOM 1378 CA THR A 93 -12.292 -2.995 2.684 1.00 0.00 C ATOM 1379 C THR A 93 -12.450 -2.230 3.993 1.00 0.00 C ATOM 1380 O THR A 93 -12.127 -2.741 5.066 1.00 0.00 O ATOM 1381 CB THR A 93 -13.407 -4.053 2.583 1.00 0.00 C ATOM 1382 OG1 THR A 93 -13.231 -4.838 1.398 1.00 0.00 O ATOM 1383 CG2 THR A 93 -14.777 -3.394 2.562 1.00 0.00 C ATOM 0 H THR A 93 -10.876 -4.486 3.090 1.00 0.00 H new ATOM 0 HA THR A 93 -12.382 -2.302 1.848 1.00 0.00 H new ATOM 0 HB THR A 93 -13.346 -4.699 3.459 1.00 0.00 H new ATOM 0 HG1 THR A 93 -13.943 -5.509 1.342 1.00 0.00 H new ATOM 0 HG21 THR A 93 -15.548 -4.161 2.490 1.00 0.00 H new ATOM 0 HG22 THR A 93 -14.919 -2.821 3.478 1.00 0.00 H new ATOM 0 HG23 THR A 93 -14.847 -2.727 1.702 1.00 0.00 H new ATOM 1391 N THR A 94 -12.950 -1.002 3.898 1.00 0.00 N ATOM 1392 CA THR A 94 -13.150 -0.166 5.075 1.00 0.00 C ATOM 1393 C THR A 94 -14.443 -0.531 5.795 1.00 0.00 C ATOM 1394 O THR A 94 -15.358 -1.098 5.199 1.00 0.00 O ATOM 1395 CB THR A 94 -13.188 1.329 4.703 1.00 0.00 C ATOM 1396 OG1 THR A 94 -14.166 1.555 3.682 1.00 0.00 O ATOM 1397 CG2 THR A 94 -11.825 1.800 4.219 1.00 0.00 C ATOM 0 H THR A 94 -13.224 -0.564 3.018 1.00 0.00 H new ATOM 0 HA THR A 94 -12.304 -0.347 5.738 1.00 0.00 H new ATOM 0 HB THR A 94 -13.456 1.896 5.594 1.00 0.00 H new ATOM 0 HG1 THR A 94 -14.395 2.507 3.653 1.00 0.00 H new ATOM 0 HG21 THR A 94 -11.876 2.858 3.962 1.00 0.00 H new ATOM 0 HG22 THR A 94 -11.088 1.653 5.008 1.00 0.00 H new ATOM 0 HG23 THR A 94 -11.533 1.227 3.339 1.00 0.00 H new ATOM 1405 N GLY A 95 -14.513 -0.202 7.081 1.00 0.00 N ATOM 1406 CA GLY A 95 -15.699 -0.503 7.861 1.00 0.00 C ATOM 1407 C GLY A 95 -16.862 0.409 7.523 1.00 0.00 C ATOM 1408 O GLY A 95 -16.966 0.904 6.402 1.00 0.00 O ATOM 0 H GLY A 95 -13.769 0.268 7.597 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -15.991 -1.539 7.687 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -15.466 -0.411 8.922 1.00 0.00 H new ATOM 1412 N GLY A 96 -17.741 0.631 8.497 1.00 0.00 N ATOM 1413 CA GLY A 96 -18.891 1.487 8.276 1.00 0.00 C ATOM 1414 C GLY A 96 -19.031 2.556 9.342 1.00 0.00 C ATOM 1415 O GLY A 96 -18.959 2.264 10.537 1.00 0.00 O ATOM 0 H GLY A 96 -17.676 0.233 9.434 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -18.804 1.962 7.299 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -19.795 0.878 8.255 1.00 0.00 H new ATOM 1419 N LEU A 97 -19.230 3.796 8.912 1.00 0.00 N ATOM 1420 CA LEU A 97 -19.379 4.913 9.838 1.00 0.00 C ATOM 1421 C LEU A 97 -20.444 4.612 10.888 1.00 0.00 C ATOM 1422 O LEU A 97 -21.595 4.329 10.555 1.00 0.00 O ATOM 1423 CB LEU A 97 -19.744 6.189 9.076 1.00 0.00 C ATOM 1424 CG LEU A 97 -18.627 6.812 8.237 1.00 0.00 C ATOM 1425 CD1 LEU A 97 -19.132 8.049 7.511 1.00 0.00 C ATOM 1426 CD2 LEU A 97 -17.431 7.155 9.112 1.00 0.00 C ATOM 0 H LEU A 97 -19.292 4.054 7.927 1.00 0.00 H new ATOM 0 HA LEU A 97 -18.426 5.061 10.346 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -20.585 5.968 8.419 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -20.089 6.932 9.795 1.00 0.00 H new ATOM 0 HG LEU A 97 -18.309 6.083 7.491 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -18.324 8.479 6.919 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -19.957 7.774 6.853 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -19.478 8.782 8.239 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -16.646 7.597 8.498 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -17.734 7.866 9.881 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -17.054 6.248 9.585 1.00 0.00 H new