USER MOD reduce.3.24.130724 H: found=0, std=0, add=703, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 713 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 14 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 17 THR OG1 : rot -179:sc= -1.26! USER MOD Single : A 4 THR OG1 : rot -47:sc= 0.789 USER MOD Single : A 6 THR OG1 : rot -111:sc= 1.23 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 GLN :FLIP amide:sc= -18.1! C(o=-23!,f=-18!) USER MOD Single : A 30 THR OG1 : rot 119:sc= 1.08 USER MOD Single : A 32 TYR OH : rot -107:sc= 0.871 USER MOD Single : A 36 GLN : amide:sc= -13.3! C(o=-13!,f=-14!) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 ASN :FLIP amide:sc= -1.84! C(o=-2.6!,f=-1.8!) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot -76:sc= -5.41! USER MOD Single : A 60 ASN : amide:sc= -0.025 X(o=-0.025,f=-0.29) USER MOD Single : A 62 SER OG : rot 180:sc= -0.705 USER MOD Single : A 64 SER OG : rot 41:sc= 0.919 USER MOD Single : A 65 THR OG1 : rot 180:sc= -3.06! USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 68 THR OG1 : rot 134:sc= -1.52! USER MOD Single : A 72 SER OG : rot 26:sc= 1.09 USER MOD Single : A 81 THR OG1 : rot 55:sc= 0.364! USER MOD Single : A 85 THR OG1 : rot -89:sc= -3.59! USER MOD Single : A 89 THR OG1 : rot 15:sc= 0.827! USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 94 GLN : amide:sc= -0.0374 K(o=-0.037,f=-5.5!) USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 103 ASN : amide:sc= -1.95! C(o=-1.9!,f=-5!) USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 21 N PRO A 3 -11.239 -4.858 9.287 1.00 0.00 N ATOM 22 CA PRO A 3 -11.219 -3.457 9.672 1.00 0.00 C ATOM 23 C PRO A 3 -10.532 -2.605 8.603 1.00 0.00 C ATOM 24 O PRO A 3 -9.345 -2.780 8.331 1.00 0.00 O ATOM 25 CB PRO A 3 -10.497 -3.429 11.009 1.00 0.00 C ATOM 26 CG PRO A 3 -9.734 -4.739 11.101 1.00 0.00 C ATOM 27 CD PRO A 3 -10.270 -5.666 10.022 1.00 0.00 C ATOM 0 HA PRO A 3 -12.218 -3.030 9.764 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -9.819 -2.578 11.068 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -11.204 -3.331 11.832 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -8.666 -4.570 10.963 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -9.861 -5.187 12.087 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -9.471 -6.017 9.369 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -10.739 -6.549 10.456 1.00 0.00 H new ATOM 35 N THR A 4 -11.309 -1.700 8.024 1.00 0.00 N ATOM 36 CA THR A 4 -10.790 -0.820 6.992 1.00 0.00 C ATOM 37 C THR A 4 -9.959 -1.612 5.983 1.00 0.00 C ATOM 38 O THR A 4 -9.948 -2.842 6.012 1.00 0.00 O ATOM 39 CB THR A 4 -10.007 0.302 7.676 1.00 0.00 C ATOM 40 OG1 THR A 4 -8.680 -0.207 7.769 1.00 0.00 O ATOM 41 CG2 THR A 4 -10.431 0.510 9.131 1.00 0.00 C ATOM 0 H THR A 4 -12.293 -1.558 8.251 1.00 0.00 H new ATOM 0 HA THR A 4 -11.598 -0.368 6.416 1.00 0.00 H new ATOM 0 HB THR A 4 -10.146 1.231 7.122 1.00 0.00 H new ATOM 0 HG1 THR A 4 -8.705 -1.123 8.116 1.00 0.00 H new ATOM 0 HG21 THR A 4 -9.844 1.317 9.569 1.00 0.00 H new ATOM 0 HG22 THR A 4 -11.489 0.769 9.168 1.00 0.00 H new ATOM 0 HG23 THR A 4 -10.262 -0.408 9.694 1.00 0.00 H new ATOM 49 N ALA A 5 -9.281 -0.877 5.115 1.00 0.00 N ATOM 50 CA ALA A 5 -8.448 -1.496 4.097 1.00 0.00 C ATOM 51 C ALA A 5 -7.288 -2.232 4.773 1.00 0.00 C ATOM 52 O ALA A 5 -6.397 -1.604 5.340 1.00 0.00 O ATOM 53 CB ALA A 5 -7.966 -0.431 3.111 1.00 0.00 C ATOM 0 H ALA A 5 -9.291 0.143 5.095 1.00 0.00 H new ATOM 0 HA ALA A 5 -9.020 -2.230 3.529 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -7.342 -0.897 2.349 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -8.826 0.042 2.637 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -7.386 0.323 3.644 1.00 0.00 H new ATOM 59 N THR A 6 -7.340 -3.554 4.690 1.00 0.00 N ATOM 60 CA THR A 6 -6.306 -4.381 5.287 1.00 0.00 C ATOM 61 C THR A 6 -6.125 -5.672 4.485 1.00 0.00 C ATOM 62 O THR A 6 -7.087 -6.197 3.922 1.00 0.00 O ATOM 63 CB THR A 6 -6.679 -4.624 6.750 1.00 0.00 C ATOM 64 OG1 THR A 6 -8.102 -4.671 6.741 1.00 0.00 O ATOM 65 CG2 THR A 6 -6.351 -3.425 7.645 1.00 0.00 C ATOM 0 H THR A 6 -8.082 -4.072 4.219 1.00 0.00 H new ATOM 0 HA THR A 6 -5.338 -3.881 5.262 1.00 0.00 H new ATOM 0 HB THR A 6 -6.154 -5.506 7.117 1.00 0.00 H new ATOM 0 HG1 THR A 6 -8.458 -3.880 7.196 1.00 0.00 H new ATOM 0 HG21 THR A 6 -6.635 -3.650 8.673 1.00 0.00 H new ATOM 0 HG22 THR A 6 -5.281 -3.220 7.601 1.00 0.00 H new ATOM 0 HG23 THR A 6 -6.903 -2.551 7.299 1.00 0.00 H new ATOM 73 N VAL A 7 -4.890 -6.146 4.456 1.00 0.00 N ATOM 74 CA VAL A 7 -4.572 -7.365 3.731 1.00 0.00 C ATOM 75 C VAL A 7 -5.094 -8.570 4.518 1.00 0.00 C ATOM 76 O VAL A 7 -4.925 -8.643 5.734 1.00 0.00 O ATOM 77 CB VAL A 7 -3.068 -7.434 3.459 1.00 0.00 C ATOM 78 CG1 VAL A 7 -2.772 -8.312 2.240 1.00 0.00 C ATOM 79 CG2 VAL A 7 -2.478 -6.035 3.283 1.00 0.00 C ATOM 0 H VAL A 7 -4.096 -5.708 4.923 1.00 0.00 H new ATOM 0 HA VAL A 7 -5.065 -7.373 2.759 1.00 0.00 H new ATOM 0 HB VAL A 7 -2.591 -7.891 4.326 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -1.696 -8.345 2.068 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -3.142 -9.321 2.420 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -3.267 -7.896 1.363 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -1.408 -6.113 3.091 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -2.962 -5.539 2.442 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -2.642 -5.454 4.191 1.00 0.00 H new ATOM 89 N THR A 8 -5.714 -9.486 3.789 1.00 0.00 N ATOM 90 CA THR A 8 -6.261 -10.685 4.403 1.00 0.00 C ATOM 91 C THR A 8 -5.287 -11.244 5.442 1.00 0.00 C ATOM 92 O THR A 8 -5.629 -11.365 6.617 1.00 0.00 O ATOM 93 CB THR A 8 -6.596 -11.676 3.286 1.00 0.00 C ATOM 94 OG1 THR A 8 -8.015 -11.620 3.186 1.00 0.00 O ATOM 95 CG2 THR A 8 -6.309 -13.126 3.685 1.00 0.00 C ATOM 0 H THR A 8 -5.850 -9.423 2.780 1.00 0.00 H new ATOM 0 HA THR A 8 -7.179 -10.467 4.950 1.00 0.00 H new ATOM 0 HB THR A 8 -6.023 -11.424 2.393 1.00 0.00 H new ATOM 0 HG1 THR A 8 -8.318 -12.232 2.483 1.00 0.00 H new ATOM 0 HG21 THR A 8 -6.564 -13.788 2.858 1.00 0.00 H new ATOM 0 HG22 THR A 8 -5.251 -13.235 3.924 1.00 0.00 H new ATOM 0 HG23 THR A 8 -6.907 -13.389 4.557 1.00 0.00 H new ATOM 103 N PRO A 9 -4.061 -11.580 4.957 1.00 0.00 N ATOM 104 CA PRO A 9 -3.035 -12.124 5.830 1.00 0.00 C ATOM 105 C PRO A 9 -2.428 -11.029 6.710 1.00 0.00 C ATOM 106 O PRO A 9 -3.027 -9.973 6.895 1.00 0.00 O ATOM 107 CB PRO A 9 -2.022 -12.764 4.896 1.00 0.00 C ATOM 108 CG PRO A 9 -2.276 -12.157 3.527 1.00 0.00 C ATOM 109 CD PRO A 9 -3.621 -11.450 3.572 1.00 0.00 C ATOM 0 HA PRO A 9 -3.427 -12.858 6.534 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -1.003 -12.564 5.229 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -2.143 -13.847 4.872 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -1.484 -11.454 3.268 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -2.278 -12.932 2.760 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -3.528 -10.403 3.283 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -4.333 -11.909 2.886 1.00 0.00 H new ATOM 117 N SER A 10 -1.243 -11.321 7.227 1.00 0.00 N ATOM 118 CA SER A 10 -0.547 -10.374 8.083 1.00 0.00 C ATOM 119 C SER A 10 0.941 -10.344 7.728 1.00 0.00 C ATOM 120 O SER A 10 1.534 -9.271 7.614 1.00 0.00 O ATOM 121 CB SER A 10 -0.733 -10.728 9.560 1.00 0.00 C ATOM 122 OG SER A 10 -1.556 -9.783 10.236 1.00 0.00 O ATOM 0 H SER A 10 -0.748 -12.199 7.070 1.00 0.00 H new ATOM 0 HA SER A 10 -0.974 -9.385 7.917 1.00 0.00 H new ATOM 0 HB2 SER A 10 -1.178 -11.720 9.642 1.00 0.00 H new ATOM 0 HB3 SER A 10 0.241 -10.774 10.047 1.00 0.00 H new ATOM 0 HG SER A 10 -1.652 -10.045 11.175 1.00 0.00 H new ATOM 128 N SER A 11 1.502 -11.531 7.560 1.00 0.00 N ATOM 129 CA SER A 11 2.910 -11.654 7.219 1.00 0.00 C ATOM 130 C SER A 11 3.139 -11.212 5.773 1.00 0.00 C ATOM 131 O SER A 11 3.604 -11.998 4.949 1.00 0.00 O ATOM 132 CB SER A 11 3.403 -13.088 7.423 1.00 0.00 C ATOM 133 OG SER A 11 4.183 -13.222 8.608 1.00 0.00 O ATOM 0 H SER A 11 1.007 -12.418 7.654 1.00 0.00 H new ATOM 0 HA SER A 11 3.481 -11.006 7.884 1.00 0.00 H new ATOM 0 HB2 SER A 11 2.547 -13.761 7.474 1.00 0.00 H new ATOM 0 HB3 SER A 11 3.997 -13.393 6.562 1.00 0.00 H new ATOM 0 HG SER A 11 4.477 -14.152 8.703 1.00 0.00 H new ATOM 139 N GLY A 12 2.797 -9.960 5.509 1.00 0.00 N ATOM 140 CA GLY A 12 2.961 -9.407 4.175 1.00 0.00 C ATOM 141 C GLY A 12 4.338 -9.747 3.604 1.00 0.00 C ATOM 142 O GLY A 12 4.498 -9.864 2.391 1.00 0.00 O ATOM 0 H GLY A 12 2.408 -9.313 6.195 1.00 0.00 H new ATOM 0 HA2 GLY A 12 2.185 -9.798 3.518 1.00 0.00 H new ATOM 0 HA3 GLY A 12 2.835 -8.325 4.208 1.00 0.00 H new ATOM 146 N LEU A 13 5.295 -9.899 4.506 1.00 0.00 N ATOM 147 CA LEU A 13 6.655 -10.226 4.107 1.00 0.00 C ATOM 148 C LEU A 13 6.656 -11.557 3.355 1.00 0.00 C ATOM 149 O LEU A 13 7.028 -12.588 3.909 1.00 0.00 O ATOM 150 CB LEU A 13 7.590 -10.203 5.319 1.00 0.00 C ATOM 151 CG LEU A 13 7.160 -11.059 6.512 1.00 0.00 C ATOM 152 CD1 LEU A 13 7.877 -12.411 6.502 1.00 0.00 C ATOM 153 CD2 LEU A 13 7.370 -10.308 7.829 1.00 0.00 C ATOM 0 H LEU A 13 5.157 -9.802 5.512 1.00 0.00 H new ATOM 0 HA LEU A 13 7.042 -9.472 3.421 1.00 0.00 H new ATOM 0 HB2 LEU A 13 8.578 -10.533 4.997 1.00 0.00 H new ATOM 0 HB3 LEU A 13 7.692 -9.171 5.655 1.00 0.00 H new ATOM 0 HG LEU A 13 6.092 -11.260 6.423 1.00 0.00 H new ATOM 0 HD11 LEU A 13 7.554 -13.000 7.360 1.00 0.00 H new ATOM 0 HD12 LEU A 13 7.634 -12.945 5.583 1.00 0.00 H new ATOM 0 HD13 LEU A 13 8.954 -12.252 6.556 1.00 0.00 H new ATOM 0 HD21 LEU A 13 7.057 -10.938 8.661 1.00 0.00 H new ATOM 0 HD22 LEU A 13 8.425 -10.057 7.941 1.00 0.00 H new ATOM 0 HD23 LEU A 13 6.778 -9.393 7.824 1.00 0.00 H new ATOM 165 N SER A 14 6.233 -11.491 2.100 1.00 0.00 N ATOM 166 CA SER A 14 6.179 -12.676 1.264 1.00 0.00 C ATOM 167 C SER A 14 6.388 -12.295 -0.202 1.00 0.00 C ATOM 168 O SER A 14 5.733 -11.385 -0.708 1.00 0.00 O ATOM 169 CB SER A 14 4.850 -13.415 1.439 1.00 0.00 C ATOM 170 OG SER A 14 5.019 -14.830 1.430 1.00 0.00 O ATOM 0 H SER A 14 5.924 -10.633 1.643 1.00 0.00 H new ATOM 0 HA SER A 14 6.979 -13.348 1.573 1.00 0.00 H new ATOM 0 HB2 SER A 14 4.388 -13.111 2.378 1.00 0.00 H new ATOM 0 HB3 SER A 14 4.167 -13.127 0.640 1.00 0.00 H new ATOM 0 HG SER A 14 4.148 -15.264 1.546 1.00 0.00 H new ATOM 176 N ASP A 15 7.298 -13.011 -0.844 1.00 0.00 N ATOM 177 CA ASP A 15 7.599 -12.757 -2.243 1.00 0.00 C ATOM 178 C ASP A 15 6.314 -12.361 -2.973 1.00 0.00 C ATOM 179 O ASP A 15 5.583 -13.220 -3.461 1.00 0.00 O ATOM 180 CB ASP A 15 8.159 -14.010 -2.922 1.00 0.00 C ATOM 181 CG ASP A 15 9.672 -14.000 -3.147 1.00 0.00 C ATOM 182 OD1 ASP A 15 10.073 -13.708 -4.295 1.00 0.00 O ATOM 183 OD2 ASP A 15 10.395 -14.287 -2.169 1.00 0.00 O ATOM 0 H ASP A 15 7.837 -13.767 -0.422 1.00 0.00 H new ATOM 0 HA ASP A 15 8.340 -11.959 -2.289 1.00 0.00 H new ATOM 0 HB2 ASP A 15 7.902 -14.879 -2.316 1.00 0.00 H new ATOM 0 HB3 ASP A 15 7.664 -14.135 -3.885 1.00 0.00 H new ATOM 189 N GLY A 16 6.079 -11.057 -3.023 1.00 0.00 N ATOM 190 CA GLY A 16 4.896 -10.535 -3.684 1.00 0.00 C ATOM 191 C GLY A 16 3.682 -11.427 -3.421 1.00 0.00 C ATOM 192 O GLY A 16 3.168 -12.069 -4.337 1.00 0.00 O ATOM 0 H GLY A 16 6.688 -10.347 -2.616 1.00 0.00 H new ATOM 0 HA2 GLY A 16 4.693 -9.525 -3.329 1.00 0.00 H new ATOM 0 HA3 GLY A 16 5.075 -10.466 -4.757 1.00 0.00 H new ATOM 196 N THR A 17 3.259 -11.442 -2.166 1.00 0.00 N ATOM 197 CA THR A 17 2.114 -12.245 -1.770 1.00 0.00 C ATOM 198 C THR A 17 0.823 -11.647 -2.335 1.00 0.00 C ATOM 199 O THR A 17 0.510 -10.485 -2.082 1.00 0.00 O ATOM 200 CB THR A 17 2.118 -12.352 -0.244 1.00 0.00 C ATOM 201 OG1 THR A 17 2.254 -13.749 0.005 1.00 0.00 O ATOM 202 CG2 THR A 17 0.764 -11.994 0.371 1.00 0.00 C ATOM 0 H THR A 17 3.689 -10.910 -1.409 1.00 0.00 H new ATOM 0 HA THR A 17 2.175 -13.253 -2.181 1.00 0.00 H new ATOM 0 HB THR A 17 2.887 -11.696 0.164 1.00 0.00 H new ATOM 0 HG1 THR A 17 2.251 -13.911 0.972 1.00 0.00 H new ATOM 0 HG21 THR A 17 0.821 -12.086 1.456 1.00 0.00 H new ATOM 0 HG22 THR A 17 0.504 -10.969 0.107 1.00 0.00 H new ATOM 0 HG23 THR A 17 0.000 -12.672 -0.011 1.00 0.00 H new ATOM 210 N VAL A 18 0.108 -12.470 -3.087 1.00 0.00 N ATOM 211 CA VAL A 18 -1.142 -12.039 -3.689 1.00 0.00 C ATOM 212 C VAL A 18 -2.301 -12.392 -2.756 1.00 0.00 C ATOM 213 O VAL A 18 -2.561 -13.566 -2.498 1.00 0.00 O ATOM 214 CB VAL A 18 -1.291 -12.651 -5.082 1.00 0.00 C ATOM 215 CG1 VAL A 18 -2.046 -11.705 -6.018 1.00 0.00 C ATOM 216 CG2 VAL A 18 0.075 -13.023 -5.667 1.00 0.00 C ATOM 0 H VAL A 18 0.371 -13.434 -3.293 1.00 0.00 H new ATOM 0 HA VAL A 18 -1.148 -10.957 -3.821 1.00 0.00 H new ATOM 0 HB VAL A 18 -1.876 -13.566 -4.985 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -2.138 -12.164 -7.002 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -3.039 -11.510 -5.614 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -1.499 -10.766 -6.105 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -0.059 -13.456 -6.658 1.00 0.00 H new ATOM 0 HG22 VAL A 18 0.694 -12.129 -5.743 1.00 0.00 H new ATOM 0 HG23 VAL A 18 0.564 -13.749 -5.017 1.00 0.00 H new ATOM 226 N VAL A 19 -2.968 -11.353 -2.272 1.00 0.00 N ATOM 227 CA VAL A 19 -4.095 -11.540 -1.373 1.00 0.00 C ATOM 228 C VAL A 19 -5.173 -10.501 -1.690 1.00 0.00 C ATOM 229 O VAL A 19 -5.072 -9.781 -2.682 1.00 0.00 O ATOM 230 CB VAL A 19 -3.617 -11.482 0.081 1.00 0.00 C ATOM 231 CG1 VAL A 19 -3.186 -12.865 0.570 1.00 0.00 C ATOM 232 CG2 VAL A 19 -2.489 -10.464 0.247 1.00 0.00 C ATOM 0 H VAL A 19 -2.749 -10.380 -2.485 1.00 0.00 H new ATOM 0 HA VAL A 19 -4.541 -12.524 -1.517 1.00 0.00 H new ATOM 0 HB VAL A 19 -4.454 -11.155 0.697 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -2.851 -12.797 1.605 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -4.029 -13.553 0.506 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -2.370 -13.233 -0.052 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -2.168 -10.443 1.289 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -1.648 -10.747 -0.386 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -2.845 -9.476 -0.043 1.00 0.00 H new ATOM 242 N LYS A 20 -6.177 -10.459 -0.829 1.00 0.00 N ATOM 243 CA LYS A 20 -7.273 -9.520 -1.005 1.00 0.00 C ATOM 244 C LYS A 20 -7.277 -8.522 0.156 1.00 0.00 C ATOM 245 O LYS A 20 -7.178 -8.916 1.318 1.00 0.00 O ATOM 246 CB LYS A 20 -8.596 -10.269 -1.175 1.00 0.00 C ATOM 247 CG LYS A 20 -8.930 -11.086 0.071 1.00 0.00 C ATOM 248 CD LYS A 20 -10.378 -11.577 0.035 1.00 0.00 C ATOM 249 CE LYS A 20 -11.157 -11.085 1.256 1.00 0.00 C ATOM 250 NZ LYS A 20 -12.452 -11.792 1.367 1.00 0.00 N ATOM 0 H LYS A 20 -6.256 -11.059 -0.008 1.00 0.00 H new ATOM 0 HA LYS A 20 -7.138 -8.944 -1.920 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -9.398 -9.557 -1.372 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -8.535 -10.929 -2.041 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -8.255 -11.939 0.142 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -8.771 -10.478 0.962 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -10.862 -11.224 -0.876 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -10.395 -12.666 0.004 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -10.569 -11.248 2.159 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -11.328 -10.011 1.177 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -12.967 -11.445 2.201 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -13.018 -11.615 0.513 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -12.283 -12.813 1.465 1.00 0.00 H new ATOM 264 N VAL A 21 -7.393 -7.252 -0.198 1.00 0.00 N ATOM 265 CA VAL A 21 -7.410 -6.194 0.799 1.00 0.00 C ATOM 266 C VAL A 21 -8.833 -5.646 0.930 1.00 0.00 C ATOM 267 O VAL A 21 -9.298 -4.906 0.063 1.00 0.00 O ATOM 268 CB VAL A 21 -6.385 -5.118 0.440 1.00 0.00 C ATOM 269 CG1 VAL A 21 -6.357 -4.012 1.495 1.00 0.00 C ATOM 270 CG2 VAL A 21 -4.994 -5.727 0.247 1.00 0.00 C ATOM 0 H VAL A 21 -7.476 -6.930 -1.162 1.00 0.00 H new ATOM 0 HA VAL A 21 -7.121 -6.584 1.775 1.00 0.00 H new ATOM 0 HB VAL A 21 -6.689 -4.670 -0.506 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -5.619 -3.260 1.214 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -7.341 -3.548 1.562 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -6.091 -4.438 2.462 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -4.284 -4.940 -0.008 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -4.679 -6.215 1.169 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -5.027 -6.461 -0.559 1.00 0.00 H new ATOM 280 N ALA A 22 -9.483 -6.029 2.018 1.00 0.00 N ATOM 281 CA ALA A 22 -10.843 -5.585 2.272 1.00 0.00 C ATOM 282 C ALA A 22 -10.806 -4.247 3.013 1.00 0.00 C ATOM 283 O ALA A 22 -10.094 -4.100 4.004 1.00 0.00 O ATOM 284 CB ALA A 22 -11.594 -6.664 3.055 1.00 0.00 C ATOM 0 H ALA A 22 -9.094 -6.642 2.734 1.00 0.00 H new ATOM 0 HA ALA A 22 -11.378 -5.430 1.335 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -12.614 -6.331 3.246 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -11.616 -7.586 2.474 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -11.088 -6.844 4.003 1.00 0.00 H new ATOM 290 N GLY A 23 -11.588 -3.305 2.503 1.00 0.00 N ATOM 291 CA GLY A 23 -11.654 -1.983 3.104 1.00 0.00 C ATOM 292 C GLY A 23 -13.071 -1.670 3.587 1.00 0.00 C ATOM 293 O GLY A 23 -13.792 -0.901 2.954 1.00 0.00 O ATOM 0 H GLY A 23 -12.180 -3.431 1.682 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -10.959 -1.926 3.942 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -11.340 -1.233 2.378 1.00 0.00 H new ATOM 297 N ALA A 24 -13.431 -2.285 4.705 1.00 0.00 N ATOM 298 CA ALA A 24 -14.749 -2.084 5.280 1.00 0.00 C ATOM 299 C ALA A 24 -14.771 -0.755 6.039 1.00 0.00 C ATOM 300 O ALA A 24 -13.889 -0.487 6.853 1.00 0.00 O ATOM 301 CB ALA A 24 -15.103 -3.272 6.177 1.00 0.00 C ATOM 0 H ALA A 24 -12.831 -2.923 5.228 1.00 0.00 H new ATOM 0 HA ALA A 24 -15.505 -2.031 4.497 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -16.093 -3.120 6.608 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -15.101 -4.188 5.586 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -14.368 -3.356 6.977 1.00 0.00 H new ATOM 307 N GLY A 25 -15.789 0.041 5.743 1.00 0.00 N ATOM 308 CA GLY A 25 -15.937 1.335 6.386 1.00 0.00 C ATOM 309 C GLY A 25 -14.681 2.188 6.200 1.00 0.00 C ATOM 310 O GLY A 25 -14.298 2.940 7.094 1.00 0.00 O ATOM 0 H GLY A 25 -16.518 -0.186 5.067 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -16.799 1.856 5.969 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -16.132 1.196 7.449 1.00 0.00 H new ATOM 314 N LEU A 26 -14.074 2.042 5.031 1.00 0.00 N ATOM 315 CA LEU A 26 -12.868 2.789 4.716 1.00 0.00 C ATOM 316 C LEU A 26 -13.204 3.889 3.707 1.00 0.00 C ATOM 317 O LEU A 26 -13.667 4.964 4.087 1.00 0.00 O ATOM 318 CB LEU A 26 -11.758 1.845 4.250 1.00 0.00 C ATOM 319 CG LEU A 26 -10.364 2.461 4.119 1.00 0.00 C ATOM 320 CD1 LEU A 26 -10.274 3.357 2.883 1.00 0.00 C ATOM 321 CD2 LEU A 26 -9.971 3.207 5.396 1.00 0.00 C ATOM 0 H LEU A 26 -14.395 1.418 4.291 1.00 0.00 H new ATOM 0 HA LEU A 26 -12.481 3.281 5.608 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -11.701 1.011 4.949 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -12.043 1.431 3.283 1.00 0.00 H new ATOM 0 HG LEU A 26 -9.646 1.652 3.984 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -9.273 3.782 2.814 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -10.480 2.767 1.990 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -11.005 4.162 2.963 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -8.976 3.635 5.276 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -10.689 4.005 5.587 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -9.968 2.513 6.237 1.00 0.00 H new ATOM 333 N GLN A 27 -12.957 3.581 2.443 1.00 0.00 N ATOM 334 CA GLN A 27 -13.229 4.531 1.376 1.00 0.00 C ATOM 335 C GLN A 27 -14.628 5.124 1.535 1.00 0.00 C ATOM 336 O GLN A 27 -14.913 6.204 1.020 1.00 0.00 O ATOM 337 CB GLN A 27 -13.064 3.875 0.003 1.00 0.00 C ATOM 338 CG GLN A 27 -11.994 4.591 -0.823 1.00 0.00 C ATOM 339 CD GLN A 27 -10.717 4.796 -0.005 1.00 0.00 C ATOM 340 OE1 GLN A 27 -9.915 3.735 0.022 1.00 0.00 O flip ATOM 341 NE2 GLN A 27 -10.475 5.847 0.564 1.00 0.00 N flip ATOM 0 H GLN A 27 -12.572 2.689 2.133 1.00 0.00 H new ATOM 0 HA GLN A 27 -12.504 5.342 1.445 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -12.791 2.827 0.127 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -14.014 3.896 -0.530 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -11.769 4.008 -1.716 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -12.374 5.556 -1.159 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -11.134 6.623 0.503 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -9.614 5.950 1.101 1.00 0.00 H new ATOM 350 N ALA A 28 -15.469 4.392 2.254 1.00 0.00 N ATOM 351 CA ALA A 28 -16.834 4.831 2.487 1.00 0.00 C ATOM 352 C ALA A 28 -17.654 4.641 1.210 1.00 0.00 C ATOM 353 O ALA A 28 -18.855 4.909 1.191 1.00 0.00 O ATOM 354 CB ALA A 28 -16.827 6.284 2.964 1.00 0.00 C ATOM 0 H ALA A 28 -15.230 3.498 2.682 1.00 0.00 H new ATOM 0 HA ALA A 28 -17.301 4.232 3.269 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -17.851 6.614 3.139 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -16.258 6.360 3.890 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -16.367 6.915 2.203 1.00 0.00 H new ATOM 360 N GLY A 29 -16.973 4.178 0.171 1.00 0.00 N ATOM 361 CA GLY A 29 -17.624 3.949 -1.109 1.00 0.00 C ATOM 362 C GLY A 29 -16.972 4.786 -2.212 1.00 0.00 C ATOM 363 O GLY A 29 -17.354 4.686 -3.378 1.00 0.00 O ATOM 0 H GLY A 29 -15.978 3.955 0.189 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -17.566 2.892 -1.367 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -18.682 4.201 -1.033 1.00 0.00 H new ATOM 367 N THR A 30 -16.002 5.591 -1.805 1.00 0.00 N ATOM 368 CA THR A 30 -15.295 6.444 -2.746 1.00 0.00 C ATOM 369 C THR A 30 -14.459 5.599 -3.709 1.00 0.00 C ATOM 370 O THR A 30 -14.764 4.430 -3.939 1.00 0.00 O ATOM 371 CB THR A 30 -14.465 7.449 -1.941 1.00 0.00 C ATOM 372 OG1 THR A 30 -15.280 7.742 -0.809 1.00 0.00 O ATOM 373 CG2 THR A 30 -14.322 8.792 -2.656 1.00 0.00 C ATOM 0 H THR A 30 -15.689 5.671 -0.838 1.00 0.00 H new ATOM 0 HA THR A 30 -15.990 7.002 -3.373 1.00 0.00 H new ATOM 0 HB THR A 30 -13.476 7.034 -1.748 1.00 0.00 H new ATOM 0 HG1 THR A 30 -14.809 7.480 0.010 1.00 0.00 H new ATOM 0 HG21 THR A 30 -13.725 9.468 -2.044 1.00 0.00 H new ATOM 0 HG22 THR A 30 -13.829 8.642 -3.617 1.00 0.00 H new ATOM 0 HG23 THR A 30 -15.309 9.225 -2.818 1.00 0.00 H new ATOM 381 N ALA A 31 -13.421 6.223 -4.246 1.00 0.00 N ATOM 382 CA ALA A 31 -12.539 5.544 -5.177 1.00 0.00 C ATOM 383 C ALA A 31 -11.088 5.927 -4.874 1.00 0.00 C ATOM 384 O ALA A 31 -10.705 7.086 -5.023 1.00 0.00 O ATOM 385 CB ALA A 31 -12.945 5.892 -6.611 1.00 0.00 C ATOM 0 H ALA A 31 -13.172 7.193 -4.053 1.00 0.00 H new ATOM 0 HA ALA A 31 -12.624 4.463 -5.066 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -12.283 5.382 -7.311 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -13.972 5.573 -6.786 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -12.869 6.969 -6.759 1.00 0.00 H new ATOM 391 N TYR A 32 -10.323 4.931 -4.453 1.00 0.00 N ATOM 392 CA TYR A 32 -8.924 5.148 -4.127 1.00 0.00 C ATOM 393 C TYR A 32 -8.034 4.101 -4.799 1.00 0.00 C ATOM 394 O TYR A 32 -8.478 2.985 -5.068 1.00 0.00 O ATOM 395 CB TYR A 32 -8.816 4.995 -2.609 1.00 0.00 C ATOM 396 CG TYR A 32 -9.265 6.229 -1.824 1.00 0.00 C ATOM 397 CD1 TYR A 32 -10.549 6.711 -1.972 1.00 0.00 C ATOM 398 CD2 TYR A 32 -8.384 6.859 -0.967 1.00 0.00 C ATOM 399 CE1 TYR A 32 -10.971 7.873 -1.233 1.00 0.00 C ATOM 400 CE2 TYR A 32 -8.808 8.020 -0.228 1.00 0.00 C ATOM 401 CZ TYR A 32 -10.077 8.470 -0.398 1.00 0.00 C ATOM 402 OH TYR A 32 -10.477 9.568 0.300 1.00 0.00 O ATOM 0 H TYR A 32 -10.646 3.971 -4.330 1.00 0.00 H new ATOM 0 HA TYR A 32 -8.598 6.129 -4.472 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -9.417 4.141 -2.297 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -7.782 4.769 -2.350 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -11.238 6.217 -2.642 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -7.379 6.482 -0.851 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -11.973 8.261 -1.339 1.00 0.00 H new ATOM 0 HE2 TYR A 32 -8.131 8.522 0.447 1.00 0.00 H new ATOM 0 HH TYR A 32 -10.057 10.368 -0.080 1.00 0.00 H new ATOM 412 N ASP A 33 -6.796 4.497 -5.052 1.00 0.00 N ATOM 413 CA ASP A 33 -5.840 3.606 -5.688 1.00 0.00 C ATOM 414 C ASP A 33 -4.976 2.942 -4.614 1.00 0.00 C ATOM 415 O ASP A 33 -4.409 3.622 -3.762 1.00 0.00 O ATOM 416 CB ASP A 33 -4.912 4.375 -6.631 1.00 0.00 C ATOM 417 CG ASP A 33 -3.575 3.691 -6.924 1.00 0.00 C ATOM 418 OD1 ASP A 33 -3.587 2.757 -7.753 1.00 0.00 O ATOM 419 OD2 ASP A 33 -2.573 4.119 -6.310 1.00 0.00 O ATOM 0 H ASP A 33 -6.432 5.423 -4.828 1.00 0.00 H new ATOM 0 HA ASP A 33 -6.399 2.864 -6.258 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -5.433 4.540 -7.574 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -4.714 5.357 -6.201 1.00 0.00 H new ATOM 425 N VAL A 34 -4.906 1.620 -4.693 1.00 0.00 N ATOM 426 CA VAL A 34 -4.121 0.857 -3.736 1.00 0.00 C ATOM 427 C VAL A 34 -2.638 0.985 -4.083 1.00 0.00 C ATOM 428 O VAL A 34 -2.269 0.996 -5.256 1.00 0.00 O ATOM 429 CB VAL A 34 -4.604 -0.595 -3.707 1.00 0.00 C ATOM 430 CG1 VAL A 34 -3.981 -1.404 -4.846 1.00 0.00 C ATOM 431 CG2 VAL A 34 -4.311 -1.242 -2.351 1.00 0.00 C ATOM 0 H VAL A 34 -5.378 1.060 -5.402 1.00 0.00 H new ATOM 0 HA VAL A 34 -4.254 1.252 -2.729 1.00 0.00 H new ATOM 0 HB VAL A 34 -5.684 -0.592 -3.852 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -4.341 -2.432 -4.802 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -4.262 -0.962 -5.802 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -2.896 -1.395 -4.747 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -4.664 -2.273 -2.356 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -3.237 -1.227 -2.165 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -4.823 -0.687 -1.565 1.00 0.00 H new ATOM 441 N GLY A 35 -1.824 1.080 -3.040 1.00 0.00 N ATOM 442 CA GLY A 35 -0.389 1.208 -3.221 1.00 0.00 C ATOM 443 C GLY A 35 0.324 1.326 -1.871 1.00 0.00 C ATOM 444 O GLY A 35 0.207 2.343 -1.190 1.00 0.00 O ATOM 0 H GLY A 35 -2.132 1.071 -2.068 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -0.008 0.343 -3.763 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -0.172 2.086 -3.829 1.00 0.00 H new ATOM 448 N GLN A 36 1.048 0.272 -1.526 1.00 0.00 N ATOM 449 CA GLN A 36 1.780 0.245 -0.270 1.00 0.00 C ATOM 450 C GLN A 36 2.810 1.374 -0.232 1.00 0.00 C ATOM 451 O GLN A 36 3.866 1.276 -0.858 1.00 0.00 O ATOM 452 CB GLN A 36 2.446 -1.115 -0.054 1.00 0.00 C ATOM 453 CG GLN A 36 3.577 -1.338 -1.061 1.00 0.00 C ATOM 454 CD GLN A 36 3.380 -2.651 -1.822 1.00 0.00 C ATOM 455 OE1 GLN A 36 2.457 -3.408 -1.578 1.00 0.00 O ATOM 456 NE2 GLN A 36 4.300 -2.876 -2.759 1.00 0.00 N ATOM 0 H GLN A 36 1.144 -0.570 -2.094 1.00 0.00 H new ATOM 0 HA GLN A 36 1.073 0.399 0.545 1.00 0.00 H new ATOM 0 HB2 GLN A 36 2.841 -1.174 0.960 1.00 0.00 H new ATOM 0 HB3 GLN A 36 1.704 -1.907 -0.154 1.00 0.00 H new ATOM 0 HG2 GLN A 36 3.611 -0.507 -1.765 1.00 0.00 H new ATOM 0 HG3 GLN A 36 4.535 -1.355 -0.541 1.00 0.00 H new ATOM 0 HE21 GLN A 36 5.048 -2.200 -2.912 1.00 0.00 H new ATOM 0 HE22 GLN A 36 4.256 -3.725 -3.323 1.00 0.00 H new ATOM 465 N CYS A 37 2.470 2.418 0.506 1.00 0.00 N ATOM 466 CA CYS A 37 3.353 3.566 0.633 1.00 0.00 C ATOM 467 C CYS A 37 4.009 3.516 2.014 1.00 0.00 C ATOM 468 O CYS A 37 3.440 2.967 2.958 1.00 0.00 O ATOM 469 CB CYS A 37 2.609 4.881 0.404 1.00 0.00 C ATOM 470 SG CYS A 37 3.553 6.146 -0.522 1.00 0.00 S ATOM 0 H CYS A 37 1.594 2.495 1.023 1.00 0.00 H new ATOM 0 HA CYS A 37 4.123 3.522 -0.137 1.00 0.00 H new ATOM 0 HB2 CYS A 37 1.685 4.670 -0.135 1.00 0.00 H new ATOM 0 HB3 CYS A 37 2.326 5.295 1.372 1.00 0.00 H new ATOM 475 N ALA A 38 5.199 4.093 2.091 1.00 0.00 N ATOM 476 CA ALA A 38 5.939 4.122 3.341 1.00 0.00 C ATOM 477 C ALA A 38 7.292 4.796 3.111 1.00 0.00 C ATOM 478 O ALA A 38 7.788 4.841 1.987 1.00 0.00 O ATOM 479 CB ALA A 38 6.083 2.698 3.881 1.00 0.00 C ATOM 0 H ALA A 38 5.670 4.545 1.307 1.00 0.00 H new ATOM 0 HA ALA A 38 5.403 4.704 4.091 1.00 0.00 H new ATOM 0 HB1 ALA A 38 6.638 2.719 4.819 1.00 0.00 H new ATOM 0 HB2 ALA A 38 5.094 2.273 4.054 1.00 0.00 H new ATOM 0 HB3 ALA A 38 6.619 2.086 3.156 1.00 0.00 H new ATOM 485 N TRP A 39 7.852 5.311 4.198 1.00 0.00 N ATOM 486 CA TRP A 39 9.138 5.983 4.131 1.00 0.00 C ATOM 487 C TRP A 39 10.179 4.966 3.656 1.00 0.00 C ATOM 488 O TRP A 39 10.857 4.340 4.471 1.00 0.00 O ATOM 489 CB TRP A 39 9.496 6.623 5.473 1.00 0.00 C ATOM 490 CG TRP A 39 9.530 5.636 6.641 1.00 0.00 C ATOM 491 CD1 TRP A 39 8.494 5.114 7.314 1.00 0.00 C ATOM 492 CD2 TRP A 39 10.706 5.067 7.254 1.00 0.00 C ATOM 493 NE1 TRP A 39 8.915 4.256 8.308 1.00 0.00 N ATOM 494 CE2 TRP A 39 10.303 4.227 8.271 1.00 0.00 C ATOM 495 CE3 TRP A 39 12.069 5.258 6.957 1.00 0.00 C ATOM 496 CZ2 TRP A 39 11.199 3.510 9.075 1.00 0.00 C ATOM 497 CZ3 TRP A 39 12.952 4.536 7.770 1.00 0.00 C ATOM 498 CH2 TRP A 39 12.561 3.685 8.797 1.00 0.00 C ATOM 0 H TRP A 39 7.437 5.276 5.129 1.00 0.00 H new ATOM 0 HA TRP A 39 9.105 6.807 3.418 1.00 0.00 H new ATOM 0 HB2 TRP A 39 10.471 7.103 5.387 1.00 0.00 H new ATOM 0 HB3 TRP A 39 8.773 7.408 5.694 1.00 0.00 H new ATOM 0 HD1 TRP A 39 7.459 5.338 7.104 1.00 0.00 H new ATOM 0 HE1 TRP A 39 8.317 3.738 8.952 1.00 0.00 H new ATOM 0 HE3 TRP A 39 12.407 5.910 6.165 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 10.858 2.858 9.866 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 14.010 4.648 7.586 1.00 0.00 H new ATOM 0 HH2 TRP A 39 13.305 3.160 9.379 1.00 0.00 H new ATOM 509 N VAL A 40 10.274 4.833 2.343 1.00 0.00 N ATOM 510 CA VAL A 40 11.220 3.901 1.750 1.00 0.00 C ATOM 511 C VAL A 40 12.624 4.510 1.798 1.00 0.00 C ATOM 512 O VAL A 40 13.576 3.850 2.210 1.00 0.00 O ATOM 513 CB VAL A 40 10.777 3.534 0.333 1.00 0.00 C ATOM 514 CG1 VAL A 40 11.539 4.353 -0.711 1.00 0.00 C ATOM 515 CG2 VAL A 40 10.939 2.034 0.079 1.00 0.00 C ATOM 0 H VAL A 40 9.712 5.355 1.671 1.00 0.00 H new ATOM 0 HA VAL A 40 11.247 2.971 2.318 1.00 0.00 H new ATOM 0 HB VAL A 40 9.719 3.777 0.240 1.00 0.00 H new ATOM 0 HG11 VAL A 40 11.204 4.072 -1.709 1.00 0.00 H new ATOM 0 HG12 VAL A 40 11.349 5.414 -0.550 1.00 0.00 H new ATOM 0 HG13 VAL A 40 12.607 4.157 -0.618 1.00 0.00 H new ATOM 0 HG21 VAL A 40 10.617 1.800 -0.936 1.00 0.00 H new ATOM 0 HG22 VAL A 40 11.986 1.755 0.201 1.00 0.00 H new ATOM 0 HG23 VAL A 40 10.330 1.477 0.791 1.00 0.00 H new ATOM 525 N ASP A 41 12.707 5.760 1.369 1.00 0.00 N ATOM 526 CA ASP A 41 13.980 6.464 1.357 1.00 0.00 C ATOM 527 C ASP A 41 14.355 6.851 2.787 1.00 0.00 C ATOM 528 O ASP A 41 13.965 6.177 3.740 1.00 0.00 O ATOM 529 CB ASP A 41 13.890 7.748 0.528 1.00 0.00 C ATOM 530 CG ASP A 41 15.146 8.082 -0.280 1.00 0.00 C ATOM 531 OD1 ASP A 41 15.067 9.041 -1.078 1.00 0.00 O ATOM 532 OD2 ASP A 41 16.155 7.373 -0.083 1.00 0.00 O ATOM 0 H ASP A 41 11.915 6.304 1.027 1.00 0.00 H new ATOM 0 HA ASP A 41 14.728 5.803 0.919 1.00 0.00 H new ATOM 0 HB2 ASP A 41 13.047 7.662 -0.157 1.00 0.00 H new ATOM 0 HB3 ASP A 41 13.674 8.581 1.197 1.00 0.00 H new ATOM 538 N THR A 42 15.110 7.934 2.895 1.00 0.00 N ATOM 539 CA THR A 42 15.543 8.419 4.194 1.00 0.00 C ATOM 540 C THR A 42 14.468 9.312 4.817 1.00 0.00 C ATOM 541 O THR A 42 14.711 10.489 5.085 1.00 0.00 O ATOM 542 CB THR A 42 16.888 9.125 4.011 1.00 0.00 C ATOM 543 OG1 THR A 42 17.363 9.320 5.340 1.00 0.00 O ATOM 544 CG2 THR A 42 16.733 10.544 3.460 1.00 0.00 C ATOM 0 H THR A 42 15.433 8.490 2.103 1.00 0.00 H new ATOM 0 HA THR A 42 15.684 7.597 4.896 1.00 0.00 H new ATOM 0 HB THR A 42 17.516 8.540 3.339 1.00 0.00 H new ATOM 0 HG1 THR A 42 18.233 9.771 5.314 1.00 0.00 H new ATOM 0 HG21 THR A 42 17.716 11.001 3.349 1.00 0.00 H new ATOM 0 HG22 THR A 42 16.239 10.505 2.489 1.00 0.00 H new ATOM 0 HG23 THR A 42 16.133 11.138 4.149 1.00 0.00 H new ATOM 552 N GLY A 43 13.303 8.720 5.029 1.00 0.00 N ATOM 553 CA GLY A 43 12.189 9.447 5.616 1.00 0.00 C ATOM 554 C GLY A 43 11.232 9.948 4.534 1.00 0.00 C ATOM 555 O GLY A 43 10.336 10.745 4.813 1.00 0.00 O ATOM 0 H GLY A 43 13.105 7.745 4.805 1.00 0.00 H new ATOM 0 HA2 GLY A 43 11.653 8.800 6.310 1.00 0.00 H new ATOM 0 HA3 GLY A 43 12.565 10.291 6.194 1.00 0.00 H new ATOM 559 N VAL A 44 11.454 9.464 3.321 1.00 0.00 N ATOM 560 CA VAL A 44 10.622 9.852 2.195 1.00 0.00 C ATOM 561 C VAL A 44 9.555 8.781 1.960 1.00 0.00 C ATOM 562 O VAL A 44 9.876 7.649 1.599 1.00 0.00 O ATOM 563 CB VAL A 44 11.493 10.108 0.964 1.00 0.00 C ATOM 564 CG1 VAL A 44 10.744 10.949 -0.073 1.00 0.00 C ATOM 565 CG2 VAL A 44 12.816 10.770 1.356 1.00 0.00 C ATOM 0 H VAL A 44 12.199 8.806 3.093 1.00 0.00 H new ATOM 0 HA VAL A 44 10.103 10.786 2.409 1.00 0.00 H new ATOM 0 HB VAL A 44 11.723 9.144 0.510 1.00 0.00 H new ATOM 0 HG11 VAL A 44 11.386 11.116 -0.938 1.00 0.00 H new ATOM 0 HG12 VAL A 44 9.843 10.422 -0.386 1.00 0.00 H new ATOM 0 HG13 VAL A 44 10.469 11.908 0.366 1.00 0.00 H new ATOM 0 HG21 VAL A 44 13.416 10.941 0.462 1.00 0.00 H new ATOM 0 HG22 VAL A 44 12.615 11.723 1.846 1.00 0.00 H new ATOM 0 HG23 VAL A 44 13.360 10.118 2.040 1.00 0.00 H new ATOM 575 N LEU A 45 8.309 9.175 2.175 1.00 0.00 N ATOM 576 CA LEU A 45 7.193 8.261 1.991 1.00 0.00 C ATOM 577 C LEU A 45 7.060 7.919 0.506 1.00 0.00 C ATOM 578 O LEU A 45 6.339 8.593 -0.229 1.00 0.00 O ATOM 579 CB LEU A 45 5.918 8.843 2.604 1.00 0.00 C ATOM 580 CG LEU A 45 4.608 8.164 2.200 1.00 0.00 C ATOM 581 CD1 LEU A 45 4.049 7.325 3.351 1.00 0.00 C ATOM 582 CD2 LEU A 45 3.593 9.188 1.689 1.00 0.00 C ATOM 0 H LEU A 45 8.047 10.114 2.475 1.00 0.00 H new ATOM 0 HA LEU A 45 7.375 7.325 2.519 1.00 0.00 H new ATOM 0 HB2 LEU A 45 6.007 8.798 3.689 1.00 0.00 H new ATOM 0 HB3 LEU A 45 5.857 9.897 2.332 1.00 0.00 H new ATOM 0 HG LEU A 45 4.816 7.482 1.376 1.00 0.00 H new ATOM 0 HD11 LEU A 45 3.118 6.853 3.038 1.00 0.00 H new ATOM 0 HD12 LEU A 45 4.771 6.556 3.625 1.00 0.00 H new ATOM 0 HD13 LEU A 45 3.859 7.967 4.211 1.00 0.00 H new ATOM 0 HD21 LEU A 45 2.671 8.678 1.409 1.00 0.00 H new ATOM 0 HD22 LEU A 45 3.382 9.914 2.474 1.00 0.00 H new ATOM 0 HD23 LEU A 45 4.002 9.703 0.819 1.00 0.00 H new ATOM 594 N ALA A 46 7.767 6.871 0.106 1.00 0.00 N ATOM 595 CA ALA A 46 7.736 6.431 -1.278 1.00 0.00 C ATOM 596 C ALA A 46 6.711 5.305 -1.428 1.00 0.00 C ATOM 597 O ALA A 46 6.600 4.444 -0.557 1.00 0.00 O ATOM 598 CB ALA A 46 9.142 6.002 -1.708 1.00 0.00 C ATOM 0 H ALA A 46 8.365 6.314 0.717 1.00 0.00 H new ATOM 0 HA ALA A 46 7.428 7.246 -1.934 1.00 0.00 H new ATOM 0 HB1 ALA A 46 9.120 5.672 -2.746 1.00 0.00 H new ATOM 0 HB2 ALA A 46 9.826 6.845 -1.610 1.00 0.00 H new ATOM 0 HB3 ALA A 46 9.482 5.183 -1.074 1.00 0.00 H new ATOM 604 N CYS A 47 5.989 5.350 -2.538 1.00 0.00 N ATOM 605 CA CYS A 47 4.978 4.343 -2.813 1.00 0.00 C ATOM 606 C CYS A 47 5.585 3.296 -3.747 1.00 0.00 C ATOM 607 O CYS A 47 6.501 3.594 -4.511 1.00 0.00 O ATOM 608 CB CYS A 47 3.708 4.965 -3.399 1.00 0.00 C ATOM 609 SG CYS A 47 3.049 6.391 -2.463 1.00 0.00 S ATOM 0 H CYS A 47 6.084 6.067 -3.257 1.00 0.00 H new ATOM 0 HA CYS A 47 4.674 3.864 -1.883 1.00 0.00 H new ATOM 0 HB2 CYS A 47 3.915 5.283 -4.421 1.00 0.00 H new ATOM 0 HB3 CYS A 47 2.937 4.197 -3.454 1.00 0.00 H new ATOM 614 N ASN A 48 5.047 2.088 -3.657 1.00 0.00 N ATOM 615 CA ASN A 48 5.523 0.994 -4.485 1.00 0.00 C ATOM 616 C ASN A 48 4.663 0.900 -5.748 1.00 0.00 C ATOM 617 O ASN A 48 3.445 0.746 -5.662 1.00 0.00 O ATOM 618 CB ASN A 48 5.423 -0.343 -3.745 1.00 0.00 C ATOM 619 CG ASN A 48 6.378 -0.381 -2.551 1.00 0.00 C ATOM 620 OD1 ASN A 48 6.164 0.579 -1.655 1.00 0.00 O flip ATOM 621 ND2 ASN A 48 7.250 -1.227 -2.447 1.00 0.00 N flip ATOM 0 H ASN A 48 4.286 1.844 -3.023 1.00 0.00 H new ATOM 0 HA ASN A 48 6.566 1.192 -4.734 1.00 0.00 H new ATOM 0 HB2 ASN A 48 4.400 -0.497 -3.402 1.00 0.00 H new ATOM 0 HB3 ASN A 48 5.657 -1.159 -4.428 1.00 0.00 H new ATOM 0 HD21 ASN A 48 7.361 -1.937 -3.171 1.00 0.00 H new ATOM 0 HD22 ASN A 48 7.868 -1.225 -1.636 1.00 0.00 H new ATOM 628 N PRO A 49 5.346 1.002 -6.918 1.00 0.00 N ATOM 629 CA PRO A 49 4.658 0.931 -8.195 1.00 0.00 C ATOM 630 C PRO A 49 4.248 -0.508 -8.519 1.00 0.00 C ATOM 631 O PRO A 49 3.753 -0.786 -9.609 1.00 0.00 O ATOM 632 CB PRO A 49 5.638 1.508 -9.203 1.00 0.00 C ATOM 633 CG PRO A 49 7.003 1.452 -8.537 1.00 0.00 C ATOM 634 CD PRO A 49 6.789 1.184 -7.057 1.00 0.00 C ATOM 0 HA PRO A 49 3.724 1.493 -8.200 1.00 0.00 H new ATOM 0 HB2 PRO A 49 5.631 0.932 -10.128 1.00 0.00 H new ATOM 0 HB3 PRO A 49 5.372 2.533 -9.464 1.00 0.00 H new ATOM 0 HG2 PRO A 49 7.613 0.666 -8.983 1.00 0.00 H new ATOM 0 HG3 PRO A 49 7.537 2.391 -8.682 1.00 0.00 H new ATOM 0 HD2 PRO A 49 7.333 0.297 -6.732 1.00 0.00 H new ATOM 0 HD3 PRO A 49 7.144 2.016 -6.449 1.00 0.00 H new ATOM 642 N ALA A 50 4.467 -1.384 -7.549 1.00 0.00 N ATOM 643 CA ALA A 50 4.126 -2.787 -7.718 1.00 0.00 C ATOM 644 C ALA A 50 2.868 -3.101 -6.905 1.00 0.00 C ATOM 645 O ALA A 50 2.437 -4.251 -6.842 1.00 0.00 O ATOM 646 CB ALA A 50 5.317 -3.654 -7.305 1.00 0.00 C ATOM 0 H ALA A 50 4.876 -1.150 -6.644 1.00 0.00 H new ATOM 0 HA ALA A 50 3.908 -3.007 -8.763 1.00 0.00 H new ATOM 0 HB1 ALA A 50 5.062 -4.706 -7.431 1.00 0.00 H new ATOM 0 HB2 ALA A 50 6.177 -3.411 -7.929 1.00 0.00 H new ATOM 0 HB3 ALA A 50 5.561 -3.463 -6.260 1.00 0.00 H new ATOM 652 N ASP A 51 2.313 -2.058 -6.307 1.00 0.00 N ATOM 653 CA ASP A 51 1.112 -2.209 -5.502 1.00 0.00 C ATOM 654 C ASP A 51 0.051 -1.218 -5.986 1.00 0.00 C ATOM 655 O ASP A 51 -0.931 -0.965 -5.291 1.00 0.00 O ATOM 656 CB ASP A 51 1.397 -1.917 -4.028 1.00 0.00 C ATOM 657 CG ASP A 51 0.304 -2.366 -3.057 1.00 0.00 C ATOM 658 OD1 ASP A 51 -0.534 -1.506 -2.708 1.00 0.00 O ATOM 659 OD2 ASP A 51 0.330 -3.560 -2.685 1.00 0.00 O ATOM 0 H ASP A 51 2.672 -1.105 -6.363 1.00 0.00 H new ATOM 0 HA ASP A 51 0.764 -3.237 -5.604 1.00 0.00 H new ATOM 0 HB2 ASP A 51 2.331 -2.405 -3.751 1.00 0.00 H new ATOM 0 HB3 ASP A 51 1.550 -0.844 -3.909 1.00 0.00 H new ATOM 665 N PHE A 52 0.287 -0.683 -7.176 1.00 0.00 N ATOM 666 CA PHE A 52 -0.636 0.275 -7.760 1.00 0.00 C ATOM 667 C PHE A 52 -1.800 -0.435 -8.452 1.00 0.00 C ATOM 668 O PHE A 52 -1.611 -1.091 -9.476 1.00 0.00 O ATOM 669 CB PHE A 52 0.149 1.075 -8.801 1.00 0.00 C ATOM 670 CG PHE A 52 0.748 2.378 -8.266 1.00 0.00 C ATOM 671 CD1 PHE A 52 1.439 2.376 -7.094 1.00 0.00 C ATOM 672 CD2 PHE A 52 0.588 3.536 -8.960 1.00 0.00 C ATOM 673 CE1 PHE A 52 1.995 3.585 -6.597 1.00 0.00 C ATOM 674 CE2 PHE A 52 1.143 4.745 -8.463 1.00 0.00 C ATOM 675 CZ PHE A 52 1.834 4.743 -7.292 1.00 0.00 C ATOM 0 H PHE A 52 1.103 -0.895 -7.750 1.00 0.00 H new ATOM 0 HA PHE A 52 -1.049 0.915 -6.981 1.00 0.00 H new ATOM 0 HB2 PHE A 52 0.953 0.452 -9.192 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -0.510 1.307 -9.638 1.00 0.00 H new ATOM 0 HD1 PHE A 52 1.565 1.456 -6.542 1.00 0.00 H new ATOM 0 HD2 PHE A 52 0.039 3.536 -9.890 1.00 0.00 H new ATOM 0 HE1 PHE A 52 2.545 3.585 -5.668 1.00 0.00 H new ATOM 0 HE2 PHE A 52 1.016 5.665 -9.014 1.00 0.00 H new ATOM 0 HZ PHE A 52 2.256 5.662 -6.913 1.00 0.00 H new ATOM 685 N SER A 53 -2.978 -0.283 -7.865 1.00 0.00 N ATOM 686 CA SER A 53 -4.172 -0.904 -8.413 1.00 0.00 C ATOM 687 C SER A 53 -5.410 -0.095 -8.019 1.00 0.00 C ATOM 688 O SER A 53 -5.916 -0.228 -6.905 1.00 0.00 O ATOM 689 CB SER A 53 -4.311 -2.350 -7.935 1.00 0.00 C ATOM 690 OG SER A 53 -5.165 -3.114 -8.783 1.00 0.00 O ATOM 0 H SER A 53 -3.131 0.261 -7.016 1.00 0.00 H new ATOM 0 HA SER A 53 -4.082 -0.916 -9.499 1.00 0.00 H new ATOM 0 HB2 SER A 53 -3.326 -2.816 -7.898 1.00 0.00 H new ATOM 0 HB3 SER A 53 -4.706 -2.359 -6.919 1.00 0.00 H new ATOM 0 HG SER A 53 -5.226 -4.032 -8.445 1.00 0.00 H new ATOM 696 N SER A 54 -5.861 0.730 -8.954 1.00 0.00 N ATOM 697 CA SER A 54 -7.029 1.560 -8.717 1.00 0.00 C ATOM 698 C SER A 54 -8.238 0.682 -8.385 1.00 0.00 C ATOM 699 O SER A 54 -8.510 -0.296 -9.079 1.00 0.00 O ATOM 700 CB SER A 54 -7.333 2.441 -9.930 1.00 0.00 C ATOM 701 OG SER A 54 -7.840 1.686 -11.028 1.00 0.00 O ATOM 0 H SER A 54 -5.438 0.841 -9.876 1.00 0.00 H new ATOM 0 HA SER A 54 -6.818 2.212 -7.870 1.00 0.00 H new ATOM 0 HB2 SER A 54 -8.059 3.205 -9.650 1.00 0.00 H new ATOM 0 HB3 SER A 54 -6.425 2.961 -10.236 1.00 0.00 H new ATOM 0 HG SER A 54 -8.023 2.286 -11.781 1.00 0.00 H new ATOM 707 N VAL A 55 -8.931 1.064 -7.322 1.00 0.00 N ATOM 708 CA VAL A 55 -10.104 0.323 -6.887 1.00 0.00 C ATOM 709 C VAL A 55 -11.057 1.271 -6.157 1.00 0.00 C ATOM 710 O VAL A 55 -10.671 2.373 -5.775 1.00 0.00 O ATOM 711 CB VAL A 55 -9.681 -0.874 -6.036 1.00 0.00 C ATOM 712 CG1 VAL A 55 -10.886 -1.497 -5.328 1.00 0.00 C ATOM 713 CG2 VAL A 55 -8.941 -1.914 -6.878 1.00 0.00 C ATOM 0 H VAL A 55 -8.703 1.877 -6.749 1.00 0.00 H new ATOM 0 HA VAL A 55 -10.642 -0.081 -7.745 1.00 0.00 H new ATOM 0 HB VAL A 55 -8.993 -0.513 -5.271 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -10.557 -2.346 -4.729 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -11.351 -0.754 -4.680 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -11.610 -1.834 -6.070 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -8.652 -2.754 -6.247 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -9.594 -2.267 -7.676 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -8.049 -1.463 -7.312 1.00 0.00 H new ATOM 723 N THR A 56 -12.286 0.804 -5.986 1.00 0.00 N ATOM 724 CA THR A 56 -13.300 1.598 -5.308 1.00 0.00 C ATOM 725 C THR A 56 -13.993 0.763 -4.229 1.00 0.00 C ATOM 726 O THR A 56 -13.910 -0.464 -4.238 1.00 0.00 O ATOM 727 CB THR A 56 -14.260 2.143 -6.366 1.00 0.00 C ATOM 728 OG1 THR A 56 -13.942 3.529 -6.441 1.00 0.00 O ATOM 729 CG2 THR A 56 -15.716 2.117 -5.904 1.00 0.00 C ATOM 0 H THR A 56 -12.603 -0.112 -6.304 1.00 0.00 H new ATOM 0 HA THR A 56 -12.857 2.446 -4.786 1.00 0.00 H new ATOM 0 HB THR A 56 -14.161 1.560 -7.282 1.00 0.00 H new ATOM 0 HG1 THR A 56 -14.319 3.994 -5.665 1.00 0.00 H new ATOM 0 HG21 THR A 56 -16.355 2.515 -6.692 1.00 0.00 H new ATOM 0 HG22 THR A 56 -16.009 1.091 -5.682 1.00 0.00 H new ATOM 0 HG23 THR A 56 -15.824 2.727 -5.007 1.00 0.00 H new ATOM 737 N ALA A 57 -14.664 1.463 -3.327 1.00 0.00 N ATOM 738 CA ALA A 57 -15.373 0.802 -2.243 1.00 0.00 C ATOM 739 C ALA A 57 -16.880 0.887 -2.500 1.00 0.00 C ATOM 740 O ALA A 57 -17.347 1.800 -3.179 1.00 0.00 O ATOM 741 CB ALA A 57 -14.973 1.437 -0.910 1.00 0.00 C ATOM 0 H ALA A 57 -14.732 2.481 -3.324 1.00 0.00 H new ATOM 0 HA ALA A 57 -15.105 -0.253 -2.195 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -15.504 0.942 -0.097 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -13.899 1.326 -0.762 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -15.231 2.496 -0.920 1.00 0.00 H new ATOM 747 N ASP A 58 -17.596 -0.078 -1.942 1.00 0.00 N ATOM 748 CA ASP A 58 -19.038 -0.126 -2.103 1.00 0.00 C ATOM 749 C ASP A 58 -19.686 0.906 -1.176 1.00 0.00 C ATOM 750 O ASP A 58 -19.076 1.334 -0.198 1.00 0.00 O ATOM 751 CB ASP A 58 -19.590 -1.504 -1.732 1.00 0.00 C ATOM 752 CG ASP A 58 -18.588 -2.654 -1.851 1.00 0.00 C ATOM 753 OD1 ASP A 58 -17.586 -2.461 -2.574 1.00 0.00 O ATOM 754 OD2 ASP A 58 -18.847 -3.700 -1.218 1.00 0.00 O ATOM 0 H ASP A 58 -17.204 -0.832 -1.378 1.00 0.00 H new ATOM 0 HA ASP A 58 -19.266 0.085 -3.148 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -19.959 -1.467 -0.707 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -20.446 -1.720 -2.371 1.00 0.00 H new ATOM 760 N ALA A 59 -20.912 1.275 -1.516 1.00 0.00 N ATOM 761 CA ALA A 59 -21.647 2.249 -0.727 1.00 0.00 C ATOM 762 C ALA A 59 -21.434 1.960 0.761 1.00 0.00 C ATOM 763 O ALA A 59 -21.511 2.864 1.589 1.00 0.00 O ATOM 764 CB ALA A 59 -23.124 2.216 -1.122 1.00 0.00 C ATOM 0 H ALA A 59 -21.415 0.917 -2.328 1.00 0.00 H new ATOM 0 HA ALA A 59 -21.280 3.257 -0.922 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -23.675 2.947 -0.530 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -23.223 2.457 -2.180 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -23.528 1.221 -0.937 1.00 0.00 H new ATOM 770 N ASN A 60 -21.168 0.694 1.050 1.00 0.00 N ATOM 771 CA ASN A 60 -20.943 0.273 2.423 1.00 0.00 C ATOM 772 C ASN A 60 -19.461 0.433 2.766 1.00 0.00 C ATOM 773 O ASN A 60 -18.915 -0.337 3.553 1.00 0.00 O ATOM 774 CB ASN A 60 -21.317 -1.199 2.617 1.00 0.00 C ATOM 775 CG ASN A 60 -22.249 -1.375 3.817 1.00 0.00 C ATOM 776 OD1 ASN A 60 -22.121 -0.718 4.837 1.00 0.00 O ATOM 777 ND2 ASN A 60 -23.191 -2.298 3.639 1.00 0.00 N ATOM 0 H ASN A 60 -21.103 -0.053 0.358 1.00 0.00 H new ATOM 0 HA ASN A 60 -21.565 0.892 3.070 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -21.802 -1.576 1.717 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -20.414 -1.791 2.764 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -23.862 -2.491 4.382 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -23.242 -2.812 2.759 1.00 0.00 H new ATOM 784 N GLY A 61 -18.851 1.439 2.156 1.00 0.00 N ATOM 785 CA GLY A 61 -17.444 1.712 2.386 1.00 0.00 C ATOM 786 C GLY A 61 -16.629 0.415 2.394 1.00 0.00 C ATOM 787 O GLY A 61 -15.771 0.224 3.252 1.00 0.00 O ATOM 0 H GLY A 61 -19.307 2.075 1.502 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -17.067 2.378 1.610 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -17.321 2.229 3.337 1.00 0.00 H new ATOM 791 N SER A 62 -16.928 -0.441 1.426 1.00 0.00 N ATOM 792 CA SER A 62 -16.235 -1.711 1.312 1.00 0.00 C ATOM 793 C SER A 62 -15.339 -1.709 0.072 1.00 0.00 C ATOM 794 O SER A 62 -15.820 -1.885 -1.046 1.00 0.00 O ATOM 795 CB SER A 62 -17.225 -2.876 1.248 1.00 0.00 C ATOM 796 OG SER A 62 -18.531 -2.489 1.671 1.00 0.00 O ATOM 0 H SER A 62 -17.641 -0.278 0.715 1.00 0.00 H new ATOM 0 HA SER A 62 -15.617 -1.843 2.200 1.00 0.00 H new ATOM 0 HB2 SER A 62 -17.272 -3.257 0.228 1.00 0.00 H new ATOM 0 HB3 SER A 62 -16.867 -3.692 1.876 1.00 0.00 H new ATOM 0 HG SER A 62 -19.135 -3.259 1.615 1.00 0.00 H new ATOM 802 N ALA A 63 -14.051 -1.507 0.312 1.00 0.00 N ATOM 803 CA ALA A 63 -13.085 -1.480 -0.771 1.00 0.00 C ATOM 804 C ALA A 63 -12.274 -2.779 -0.759 1.00 0.00 C ATOM 805 O ALA A 63 -11.272 -2.882 -0.054 1.00 0.00 O ATOM 806 CB ALA A 63 -12.197 -0.239 -0.633 1.00 0.00 C ATOM 0 H ALA A 63 -13.655 -1.361 1.241 1.00 0.00 H new ATOM 0 HA ALA A 63 -13.591 -1.415 -1.734 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -11.471 -0.219 -1.446 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -12.815 0.658 -0.676 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -11.671 -0.272 0.321 1.00 0.00 H new ATOM 812 N SER A 64 -12.739 -3.736 -1.549 1.00 0.00 N ATOM 813 CA SER A 64 -12.071 -5.022 -1.639 1.00 0.00 C ATOM 814 C SER A 64 -11.107 -5.030 -2.826 1.00 0.00 C ATOM 815 O SER A 64 -11.477 -5.429 -3.931 1.00 0.00 O ATOM 816 CB SER A 64 -13.084 -6.160 -1.771 1.00 0.00 C ATOM 817 OG SER A 64 -13.864 -6.046 -2.958 1.00 0.00 O ATOM 0 H SER A 64 -13.571 -3.646 -2.132 1.00 0.00 H new ATOM 0 HA SER A 64 -11.506 -5.178 -0.720 1.00 0.00 H new ATOM 0 HB2 SER A 64 -12.558 -7.115 -1.773 1.00 0.00 H new ATOM 0 HB3 SER A 64 -13.743 -6.161 -0.903 1.00 0.00 H new ATOM 0 HG SER A 64 -13.289 -5.772 -3.702 1.00 0.00 H new ATOM 823 N THR A 65 -9.889 -4.582 -2.562 1.00 0.00 N ATOM 824 CA THR A 65 -8.867 -4.533 -3.595 1.00 0.00 C ATOM 825 C THR A 65 -7.840 -5.645 -3.383 1.00 0.00 C ATOM 826 O THR A 65 -7.174 -5.693 -2.351 1.00 0.00 O ATOM 827 CB THR A 65 -8.254 -3.130 -3.587 1.00 0.00 C ATOM 828 OG1 THR A 65 -7.442 -3.099 -4.757 1.00 0.00 O ATOM 829 CG2 THR A 65 -7.263 -2.931 -2.439 1.00 0.00 C ATOM 0 H THR A 65 -9.586 -4.249 -1.647 1.00 0.00 H new ATOM 0 HA THR A 65 -9.294 -4.712 -4.582 1.00 0.00 H new ATOM 0 HB THR A 65 -9.048 -2.387 -3.513 1.00 0.00 H new ATOM 0 HG1 THR A 65 -7.008 -2.223 -4.831 1.00 0.00 H new ATOM 0 HG21 THR A 65 -6.858 -1.920 -2.479 1.00 0.00 H new ATOM 0 HG22 THR A 65 -7.774 -3.079 -1.488 1.00 0.00 H new ATOM 0 HG23 THR A 65 -6.450 -3.652 -2.531 1.00 0.00 H new ATOM 837 N SER A 66 -7.744 -6.514 -4.380 1.00 0.00 N ATOM 838 CA SER A 66 -6.807 -7.626 -4.316 1.00 0.00 C ATOM 839 C SER A 66 -5.584 -7.326 -5.183 1.00 0.00 C ATOM 840 O SER A 66 -5.717 -6.841 -6.306 1.00 0.00 O ATOM 841 CB SER A 66 -7.469 -8.930 -4.763 1.00 0.00 C ATOM 842 OG SER A 66 -8.254 -8.754 -5.939 1.00 0.00 O ATOM 0 H SER A 66 -8.298 -6.471 -5.235 1.00 0.00 H new ATOM 0 HA SER A 66 -6.490 -7.749 -3.280 1.00 0.00 H new ATOM 0 HB2 SER A 66 -6.701 -9.681 -4.949 1.00 0.00 H new ATOM 0 HB3 SER A 66 -8.100 -9.310 -3.960 1.00 0.00 H new ATOM 0 HG SER A 66 -8.659 -9.610 -6.193 1.00 0.00 H new ATOM 848 N LEU A 67 -4.417 -7.632 -4.632 1.00 0.00 N ATOM 849 CA LEU A 67 -3.171 -7.403 -5.341 1.00 0.00 C ATOM 850 C LEU A 67 -2.032 -8.109 -4.601 1.00 0.00 C ATOM 851 O LEU A 67 -2.255 -8.742 -3.572 1.00 0.00 O ATOM 852 CB LEU A 67 -2.937 -5.905 -5.544 1.00 0.00 C ATOM 853 CG LEU A 67 -2.193 -5.510 -6.822 1.00 0.00 C ATOM 854 CD1 LEU A 67 -0.717 -5.233 -6.535 1.00 0.00 C ATOM 855 CD2 LEU A 67 -2.376 -6.569 -7.912 1.00 0.00 C ATOM 0 H LEU A 67 -4.310 -8.037 -3.702 1.00 0.00 H new ATOM 0 HA LEU A 67 -3.217 -7.833 -6.342 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -3.904 -5.402 -5.540 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -2.377 -5.526 -4.689 1.00 0.00 H new ATOM 0 HG LEU A 67 -2.627 -4.583 -7.197 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -0.212 -4.955 -7.460 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -0.633 -4.418 -5.816 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -0.252 -6.129 -6.124 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -1.838 -6.264 -8.809 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -1.985 -7.524 -7.561 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -3.436 -6.674 -8.143 1.00 0.00 H new ATOM 867 N THR A 68 -0.838 -7.973 -5.156 1.00 0.00 N ATOM 868 CA THR A 68 0.337 -8.590 -4.563 1.00 0.00 C ATOM 869 C THR A 68 1.160 -7.548 -3.803 1.00 0.00 C ATOM 870 O THR A 68 1.324 -6.421 -4.269 1.00 0.00 O ATOM 871 CB THR A 68 1.121 -9.288 -5.677 1.00 0.00 C ATOM 872 OG1 THR A 68 2.167 -9.970 -4.991 1.00 0.00 O ATOM 873 CG2 THR A 68 1.855 -8.298 -6.585 1.00 0.00 C ATOM 0 H THR A 68 -0.658 -7.445 -6.010 1.00 0.00 H new ATOM 0 HA THR A 68 0.057 -9.341 -3.824 1.00 0.00 H new ATOM 0 HB THR A 68 0.440 -9.894 -6.275 1.00 0.00 H new ATOM 0 HG1 THR A 68 2.233 -10.889 -5.325 1.00 0.00 H new ATOM 0 HG21 THR A 68 2.395 -8.845 -7.358 1.00 0.00 H new ATOM 0 HG22 THR A 68 1.133 -7.628 -7.052 1.00 0.00 H new ATOM 0 HG23 THR A 68 2.560 -7.715 -5.993 1.00 0.00 H new ATOM 881 N VAL A 69 1.658 -7.961 -2.647 1.00 0.00 N ATOM 882 CA VAL A 69 2.460 -7.079 -1.817 1.00 0.00 C ATOM 883 C VAL A 69 3.926 -7.185 -2.235 1.00 0.00 C ATOM 884 O VAL A 69 4.674 -7.994 -1.689 1.00 0.00 O ATOM 885 CB VAL A 69 2.235 -7.400 -0.338 1.00 0.00 C ATOM 886 CG1 VAL A 69 2.434 -8.892 -0.066 1.00 0.00 C ATOM 887 CG2 VAL A 69 3.145 -6.553 0.552 1.00 0.00 C ATOM 0 H VAL A 69 1.521 -8.897 -2.265 1.00 0.00 H new ATOM 0 HA VAL A 69 2.156 -6.042 -1.959 1.00 0.00 H new ATOM 0 HB VAL A 69 1.203 -7.150 -0.093 1.00 0.00 H new ATOM 0 HG11 VAL A 69 2.268 -9.094 0.992 1.00 0.00 H new ATOM 0 HG12 VAL A 69 1.725 -9.468 -0.661 1.00 0.00 H new ATOM 0 HG13 VAL A 69 3.451 -9.179 -0.335 1.00 0.00 H new ATOM 0 HG21 VAL A 69 2.964 -6.801 1.598 1.00 0.00 H new ATOM 0 HG22 VAL A 69 4.187 -6.757 0.305 1.00 0.00 H new ATOM 0 HG23 VAL A 69 2.933 -5.496 0.388 1.00 0.00 H new ATOM 897 N ARG A 70 4.295 -6.356 -3.200 1.00 0.00 N ATOM 898 CA ARG A 70 5.660 -6.348 -3.699 1.00 0.00 C ATOM 899 C ARG A 70 6.517 -5.382 -2.880 1.00 0.00 C ATOM 900 O ARG A 70 6.465 -4.171 -3.090 1.00 0.00 O ATOM 901 CB ARG A 70 5.706 -5.938 -5.173 1.00 0.00 C ATOM 902 CG ARG A 70 4.828 -6.856 -6.025 1.00 0.00 C ATOM 903 CD ARG A 70 5.643 -7.514 -7.140 1.00 0.00 C ATOM 904 NE ARG A 70 5.335 -8.960 -7.208 1.00 0.00 N ATOM 905 CZ ARG A 70 6.156 -9.879 -7.732 1.00 0.00 C ATOM 906 NH1 ARG A 70 7.342 -9.509 -8.238 1.00 0.00 N ATOM 907 NH2 ARG A 70 5.794 -11.169 -7.750 1.00 0.00 N ATOM 0 H ARG A 70 3.673 -5.685 -3.650 1.00 0.00 H new ATOM 0 HA ARG A 70 6.055 -7.360 -3.604 1.00 0.00 H new ATOM 0 HB2 ARG A 70 5.369 -4.907 -5.278 1.00 0.00 H new ATOM 0 HB3 ARG A 70 6.734 -5.976 -5.533 1.00 0.00 H new ATOM 0 HG2 ARG A 70 4.380 -7.625 -5.395 1.00 0.00 H new ATOM 0 HG3 ARG A 70 4.009 -6.282 -6.458 1.00 0.00 H new ATOM 0 HD2 ARG A 70 5.416 -7.040 -8.095 1.00 0.00 H new ATOM 0 HD3 ARG A 70 6.708 -7.369 -6.957 1.00 0.00 H new ATOM 0 HE ARG A 70 4.441 -9.276 -6.832 1.00 0.00 H new ATOM 0 HH11 ARG A 70 7.619 -8.527 -8.224 1.00 0.00 H new ATOM 0 HH12 ARG A 70 7.967 -10.209 -8.637 1.00 0.00 H new ATOM 0 HH21 ARG A 70 4.893 -11.451 -7.365 1.00 0.00 H new ATOM 0 HH22 ARG A 70 6.420 -11.869 -8.149 1.00 0.00 H new ATOM 921 N ARG A 71 7.289 -5.953 -1.969 1.00 0.00 N ATOM 922 CA ARG A 71 8.157 -5.158 -1.117 1.00 0.00 C ATOM 923 C ARG A 71 9.446 -4.799 -1.861 1.00 0.00 C ATOM 924 O ARG A 71 10.101 -3.811 -1.534 1.00 0.00 O ATOM 925 CB ARG A 71 8.511 -5.908 0.167 1.00 0.00 C ATOM 926 CG ARG A 71 8.758 -4.936 1.321 1.00 0.00 C ATOM 927 CD ARG A 71 8.545 -5.621 2.672 1.00 0.00 C ATOM 928 NE ARG A 71 7.530 -6.690 2.542 1.00 0.00 N ATOM 929 CZ ARG A 71 6.209 -6.488 2.630 1.00 0.00 C ATOM 930 NH1 ARG A 71 5.734 -5.255 2.850 1.00 0.00 N ATOM 931 NH2 ARG A 71 5.363 -7.517 2.500 1.00 0.00 N ATOM 0 H ARG A 71 7.332 -6.958 -1.801 1.00 0.00 H new ATOM 0 HA ARG A 71 7.618 -4.248 -0.854 1.00 0.00 H new ATOM 0 HB2 ARG A 71 7.702 -6.590 0.429 1.00 0.00 H new ATOM 0 HB3 ARG A 71 9.400 -6.517 0.003 1.00 0.00 H new ATOM 0 HG2 ARG A 71 9.775 -4.548 1.263 1.00 0.00 H new ATOM 0 HG3 ARG A 71 8.086 -4.083 1.232 1.00 0.00 H new ATOM 0 HD2 ARG A 71 9.485 -6.042 3.028 1.00 0.00 H new ATOM 0 HD3 ARG A 71 8.222 -4.890 3.413 1.00 0.00 H new ATOM 0 HE ARG A 71 7.857 -7.641 2.375 1.00 0.00 H new ATOM 0 HH11 ARG A 71 6.378 -4.471 2.950 1.00 0.00 H new ATOM 0 HH12 ARG A 71 4.728 -5.100 2.917 1.00 0.00 H new ATOM 0 HH21 ARG A 71 5.724 -8.456 2.334 1.00 0.00 H new ATOM 0 HH22 ARG A 71 4.357 -7.362 2.567 1.00 0.00 H new ATOM 945 N SER A 72 9.771 -5.623 -2.846 1.00 0.00 N ATOM 946 CA SER A 72 10.970 -5.406 -3.639 1.00 0.00 C ATOM 947 C SER A 72 10.622 -4.635 -4.913 1.00 0.00 C ATOM 948 O SER A 72 10.036 -5.192 -5.839 1.00 0.00 O ATOM 949 CB SER A 72 11.647 -6.734 -3.990 1.00 0.00 C ATOM 950 OG SER A 72 10.900 -7.475 -4.951 1.00 0.00 O ATOM 0 H SER A 72 9.225 -6.442 -3.113 1.00 0.00 H new ATOM 0 HA SER A 72 11.670 -4.818 -3.046 1.00 0.00 H new ATOM 0 HB2 SER A 72 12.647 -6.540 -4.379 1.00 0.00 H new ATOM 0 HB3 SER A 72 11.767 -7.330 -3.085 1.00 0.00 H new ATOM 0 HG SER A 72 10.357 -6.861 -5.488 1.00 0.00 H new ATOM 956 N PHE A 73 11.000 -3.364 -4.918 1.00 0.00 N ATOM 957 CA PHE A 73 10.735 -2.510 -6.062 1.00 0.00 C ATOM 958 C PHE A 73 11.164 -1.067 -5.783 1.00 0.00 C ATOM 959 O PHE A 73 11.495 -0.725 -4.649 1.00 0.00 O ATOM 960 CB PHE A 73 9.225 -2.543 -6.307 1.00 0.00 C ATOM 961 CG PHE A 73 8.834 -2.861 -7.751 1.00 0.00 C ATOM 962 CD1 PHE A 73 9.464 -3.864 -8.421 1.00 0.00 C ATOM 963 CD2 PHE A 73 7.856 -2.144 -8.366 1.00 0.00 C ATOM 964 CE1 PHE A 73 9.102 -4.160 -9.761 1.00 0.00 C ATOM 965 CE2 PHE A 73 7.492 -2.441 -9.705 1.00 0.00 C ATOM 966 CZ PHE A 73 8.124 -3.443 -10.374 1.00 0.00 C ATOM 0 H PHE A 73 11.487 -2.906 -4.148 1.00 0.00 H new ATOM 0 HA PHE A 73 11.295 -2.865 -6.927 1.00 0.00 H new ATOM 0 HB2 PHE A 73 8.777 -3.287 -5.648 1.00 0.00 H new ATOM 0 HB3 PHE A 73 8.802 -1.577 -6.031 1.00 0.00 H new ATOM 0 HD1 PHE A 73 10.240 -4.435 -7.933 1.00 0.00 H new ATOM 0 HD2 PHE A 73 7.356 -1.348 -7.835 1.00 0.00 H new ATOM 0 HE1 PHE A 73 9.604 -4.955 -10.293 1.00 0.00 H new ATOM 0 HE2 PHE A 73 6.714 -1.872 -10.193 1.00 0.00 H new ATOM 0 HZ PHE A 73 7.848 -3.669 -11.393 1.00 0.00 H new ATOM 976 N GLU A 74 11.142 -0.264 -6.834 1.00 0.00 N ATOM 977 CA GLU A 74 11.525 1.135 -6.715 1.00 0.00 C ATOM 978 C GLU A 74 10.374 1.951 -6.122 1.00 0.00 C ATOM 979 O GLU A 74 9.245 1.885 -6.609 1.00 0.00 O ATOM 980 CB GLU A 74 11.958 1.701 -8.068 1.00 0.00 C ATOM 981 CG GLU A 74 12.353 3.174 -7.944 1.00 0.00 C ATOM 982 CD GLU A 74 13.610 3.476 -8.763 1.00 0.00 C ATOM 983 OE1 GLU A 74 14.558 2.668 -8.665 1.00 0.00 O ATOM 984 OE2 GLU A 74 13.593 4.508 -9.468 1.00 0.00 O ATOM 0 H GLU A 74 10.866 -0.553 -7.772 1.00 0.00 H new ATOM 0 HA GLU A 74 12.378 1.203 -6.040 1.00 0.00 H new ATOM 0 HB2 GLU A 74 12.800 1.126 -8.454 1.00 0.00 H new ATOM 0 HB3 GLU A 74 11.145 1.598 -8.787 1.00 0.00 H new ATOM 0 HG2 GLU A 74 11.532 3.804 -8.286 1.00 0.00 H new ATOM 0 HG3 GLU A 74 12.529 3.420 -6.897 1.00 0.00 H new ATOM 992 N GLY A 75 10.698 2.700 -5.079 1.00 0.00 N ATOM 993 CA GLY A 75 9.706 3.528 -4.415 1.00 0.00 C ATOM 994 C GLY A 75 9.495 4.843 -5.167 1.00 0.00 C ATOM 995 O GLY A 75 10.348 5.254 -5.953 1.00 0.00 O ATOM 0 H GLY A 75 11.634 2.751 -4.677 1.00 0.00 H new ATOM 0 HA2 GLY A 75 8.762 2.988 -4.349 1.00 0.00 H new ATOM 0 HA3 GLY A 75 10.026 3.736 -3.394 1.00 0.00 H new ATOM 999 N PHE A 76 8.357 5.467 -4.899 1.00 0.00 N ATOM 1000 CA PHE A 76 8.026 6.727 -5.543 1.00 0.00 C ATOM 1001 C PHE A 76 7.884 7.846 -4.511 1.00 0.00 C ATOM 1002 O PHE A 76 6.874 7.927 -3.812 1.00 0.00 O ATOM 1003 CB PHE A 76 6.683 6.528 -6.250 1.00 0.00 C ATOM 1004 CG PHE A 76 6.776 6.545 -7.777 1.00 0.00 C ATOM 1005 CD1 PHE A 76 7.877 6.041 -8.396 1.00 0.00 C ATOM 1006 CD2 PHE A 76 5.756 7.065 -8.513 1.00 0.00 C ATOM 1007 CE1 PHE A 76 7.962 6.057 -9.814 1.00 0.00 C ATOM 1008 CE2 PHE A 76 5.843 7.081 -9.932 1.00 0.00 C ATOM 1009 CZ PHE A 76 6.944 6.577 -10.551 1.00 0.00 C ATOM 0 H PHE A 76 7.653 5.124 -4.245 1.00 0.00 H new ATOM 0 HA PHE A 76 8.815 7.009 -6.240 1.00 0.00 H new ATOM 0 HB2 PHE A 76 6.254 5.577 -5.933 1.00 0.00 H new ATOM 0 HB3 PHE A 76 5.996 7.311 -5.929 1.00 0.00 H new ATOM 0 HD1 PHE A 76 8.686 5.629 -7.810 1.00 0.00 H new ATOM 0 HD2 PHE A 76 4.882 7.465 -8.020 1.00 0.00 H new ATOM 0 HE1 PHE A 76 8.835 5.656 -10.307 1.00 0.00 H new ATOM 0 HE2 PHE A 76 5.035 7.493 -10.518 1.00 0.00 H new ATOM 0 HZ PHE A 76 7.010 6.590 -11.629 1.00 0.00 H new ATOM 1019 N LEU A 77 8.908 8.683 -4.446 1.00 0.00 N ATOM 1020 CA LEU A 77 8.911 9.796 -3.513 1.00 0.00 C ATOM 1021 C LEU A 77 8.156 10.975 -4.128 1.00 0.00 C ATOM 1022 O LEU A 77 7.724 10.909 -5.279 1.00 0.00 O ATOM 1023 CB LEU A 77 10.340 10.136 -3.088 1.00 0.00 C ATOM 1024 CG LEU A 77 11.132 9.002 -2.432 1.00 0.00 C ATOM 1025 CD1 LEU A 77 11.080 7.734 -3.283 1.00 0.00 C ATOM 1026 CD2 LEU A 77 12.570 9.437 -2.138 1.00 0.00 C ATOM 0 H LEU A 77 9.744 8.612 -5.026 1.00 0.00 H new ATOM 0 HA LEU A 77 8.387 9.525 -2.597 1.00 0.00 H new ATOM 0 HB2 LEU A 77 10.889 10.475 -3.967 1.00 0.00 H new ATOM 0 HB3 LEU A 77 10.302 10.975 -2.393 1.00 0.00 H new ATOM 0 HG LEU A 77 10.664 8.767 -1.476 1.00 0.00 H new ATOM 0 HD11 LEU A 77 11.650 6.944 -2.794 1.00 0.00 H new ATOM 0 HD12 LEU A 77 10.044 7.415 -3.398 1.00 0.00 H new ATOM 0 HD13 LEU A 77 11.508 7.937 -4.265 1.00 0.00 H new ATOM 0 HD21 LEU A 77 13.111 8.613 -1.672 1.00 0.00 H new ATOM 0 HD22 LEU A 77 13.064 9.715 -3.069 1.00 0.00 H new ATOM 0 HD23 LEU A 77 12.560 10.293 -1.463 1.00 0.00 H new ATOM 1038 N PHE A 78 8.017 12.027 -3.336 1.00 0.00 N ATOM 1039 CA PHE A 78 7.323 13.219 -3.788 1.00 0.00 C ATOM 1040 C PHE A 78 8.291 14.204 -4.444 1.00 0.00 C ATOM 1041 O PHE A 78 7.923 14.912 -5.380 1.00 0.00 O ATOM 1042 CB PHE A 78 6.707 13.876 -2.550 1.00 0.00 C ATOM 1043 CG PHE A 78 6.208 15.303 -2.786 1.00 0.00 C ATOM 1044 CD1 PHE A 78 5.116 15.523 -3.567 1.00 0.00 C ATOM 1045 CD2 PHE A 78 6.858 16.354 -2.214 1.00 0.00 C ATOM 1046 CE1 PHE A 78 4.654 16.848 -3.785 1.00 0.00 C ATOM 1047 CE2 PHE A 78 6.396 17.678 -2.432 1.00 0.00 C ATOM 1048 CZ PHE A 78 5.304 17.897 -3.212 1.00 0.00 C ATOM 0 H PHE A 78 8.374 12.078 -2.382 1.00 0.00 H new ATOM 0 HA PHE A 78 6.567 12.950 -4.525 1.00 0.00 H new ATOM 0 HB2 PHE A 78 5.875 13.264 -2.203 1.00 0.00 H new ATOM 0 HB3 PHE A 78 7.448 13.889 -1.751 1.00 0.00 H new ATOM 0 HD1 PHE A 78 4.600 14.690 -4.021 1.00 0.00 H new ATOM 0 HD2 PHE A 78 7.725 16.180 -1.594 1.00 0.00 H new ATOM 0 HE1 PHE A 78 3.787 17.023 -4.405 1.00 0.00 H new ATOM 0 HE2 PHE A 78 6.912 18.512 -1.978 1.00 0.00 H new ATOM 0 HZ PHE A 78 4.952 18.905 -3.377 1.00 0.00 H new ATOM 1058 N ASP A 79 9.511 14.218 -3.928 1.00 0.00 N ATOM 1059 CA ASP A 79 10.536 15.104 -4.450 1.00 0.00 C ATOM 1060 C ASP A 79 11.418 14.334 -5.436 1.00 0.00 C ATOM 1061 O ASP A 79 12.037 14.928 -6.315 1.00 0.00 O ATOM 1062 CB ASP A 79 11.433 15.633 -3.329 1.00 0.00 C ATOM 1063 CG ASP A 79 12.438 16.706 -3.754 1.00 0.00 C ATOM 1064 OD1 ASP A 79 12.049 17.546 -4.594 1.00 0.00 O ATOM 1065 OD2 ASP A 79 13.573 16.661 -3.230 1.00 0.00 O ATOM 0 H ASP A 79 9.813 13.628 -3.152 1.00 0.00 H new ATOM 0 HA ASP A 79 10.038 15.941 -4.939 1.00 0.00 H new ATOM 0 HB2 ASP A 79 10.801 16.041 -2.541 1.00 0.00 H new ATOM 0 HB3 ASP A 79 11.980 14.795 -2.897 1.00 0.00 H new ATOM 1071 N GLY A 80 11.441 13.022 -5.256 1.00 0.00 N ATOM 1072 CA GLY A 80 12.234 12.162 -6.120 1.00 0.00 C ATOM 1073 C GLY A 80 11.511 10.843 -6.395 1.00 0.00 C ATOM 1074 O GLY A 80 12.034 9.771 -6.097 1.00 0.00 O ATOM 0 H GLY A 80 10.924 12.533 -4.525 1.00 0.00 H new ATOM 0 HA2 GLY A 80 12.436 12.673 -7.061 1.00 0.00 H new ATOM 0 HA3 GLY A 80 13.198 11.962 -5.653 1.00 0.00 H new ATOM 1078 N THR A 81 10.318 10.964 -6.960 1.00 0.00 N ATOM 1079 CA THR A 81 9.518 9.794 -7.276 1.00 0.00 C ATOM 1080 C THR A 81 10.416 8.571 -7.476 1.00 0.00 C ATOM 1081 O THR A 81 10.762 7.888 -6.515 1.00 0.00 O ATOM 1082 CB THR A 81 8.663 10.126 -8.501 1.00 0.00 C ATOM 1083 OG1 THR A 81 8.432 8.862 -9.117 1.00 0.00 O ATOM 1084 CG2 THR A 81 9.434 10.919 -9.557 1.00 0.00 C ATOM 0 H THR A 81 9.887 11.855 -7.207 1.00 0.00 H new ATOM 0 HA THR A 81 8.851 9.536 -6.454 1.00 0.00 H new ATOM 0 HB THR A 81 7.788 10.695 -8.188 1.00 0.00 H new ATOM 0 HG1 THR A 81 8.044 8.245 -8.462 1.00 0.00 H new ATOM 0 HG21 THR A 81 8.781 11.128 -10.404 1.00 0.00 H new ATOM 0 HG22 THR A 81 9.780 11.858 -9.126 1.00 0.00 H new ATOM 0 HG23 THR A 81 10.291 10.337 -9.895 1.00 0.00 H new ATOM 1092 N ARG A 82 10.767 8.334 -8.732 1.00 0.00 N ATOM 1093 CA ARG A 82 11.618 7.206 -9.069 1.00 0.00 C ATOM 1094 C ARG A 82 12.896 7.234 -8.227 1.00 0.00 C ATOM 1095 O ARG A 82 13.923 7.746 -8.667 1.00 0.00 O ATOM 1096 CB ARG A 82 11.995 7.225 -10.552 1.00 0.00 C ATOM 1097 CG ARG A 82 12.456 8.617 -10.984 1.00 0.00 C ATOM 1098 CD ARG A 82 13.395 8.535 -12.188 1.00 0.00 C ATOM 1099 NE ARG A 82 14.803 8.640 -11.741 1.00 0.00 N ATOM 1100 CZ ARG A 82 15.856 8.638 -12.569 1.00 0.00 C ATOM 1101 NH1 ARG A 82 15.668 8.536 -13.893 1.00 0.00 N ATOM 1102 NH2 ARG A 82 17.098 8.737 -12.074 1.00 0.00 N ATOM 0 H ARG A 82 10.478 8.903 -9.527 1.00 0.00 H new ATOM 0 HA ARG A 82 11.059 6.295 -8.858 1.00 0.00 H new ATOM 0 HB2 ARG A 82 12.789 6.501 -10.738 1.00 0.00 H new ATOM 0 HB3 ARG A 82 11.138 6.920 -11.152 1.00 0.00 H new ATOM 0 HG2 ARG A 82 11.590 9.229 -11.235 1.00 0.00 H new ATOM 0 HG3 ARG A 82 12.964 9.109 -10.155 1.00 0.00 H new ATOM 0 HD2 ARG A 82 13.242 7.594 -12.716 1.00 0.00 H new ATOM 0 HD3 ARG A 82 13.168 9.336 -12.892 1.00 0.00 H new ATOM 0 HE ARG A 82 14.982 8.719 -10.740 1.00 0.00 H new ATOM 0 HH11 ARG A 82 14.723 8.460 -14.270 1.00 0.00 H new ATOM 0 HH12 ARG A 82 16.470 8.535 -14.523 1.00 0.00 H new ATOM 0 HH21 ARG A 82 17.241 8.814 -11.067 1.00 0.00 H new ATOM 0 HH22 ARG A 82 17.900 8.735 -12.704 1.00 0.00 H new ATOM 1116 N TRP A 83 12.789 6.673 -7.031 1.00 0.00 N ATOM 1117 CA TRP A 83 13.922 6.627 -6.122 1.00 0.00 C ATOM 1118 C TRP A 83 14.597 5.261 -6.277 1.00 0.00 C ATOM 1119 O TRP A 83 15.529 5.114 -7.067 1.00 0.00 O ATOM 1120 CB TRP A 83 13.486 6.916 -4.685 1.00 0.00 C ATOM 1121 CG TRP A 83 14.520 6.525 -3.630 1.00 0.00 C ATOM 1122 CD1 TRP A 83 14.334 5.794 -2.520 1.00 0.00 C ATOM 1123 CD2 TRP A 83 15.921 6.877 -3.626 1.00 0.00 C ATOM 1124 NE1 TRP A 83 15.506 5.650 -1.807 1.00 0.00 N ATOM 1125 CE2 TRP A 83 16.501 6.328 -2.501 1.00 0.00 C ATOM 1126 CE3 TRP A 83 16.671 7.633 -4.545 1.00 0.00 C ATOM 1127 CZ2 TRP A 83 17.859 6.479 -2.189 1.00 0.00 C ATOM 1128 CZ3 TRP A 83 18.025 7.772 -4.217 1.00 0.00 C ATOM 1129 CH2 TRP A 83 18.626 7.226 -3.090 1.00 0.00 C ATOM 0 H TRP A 83 11.935 6.247 -6.671 1.00 0.00 H new ATOM 0 HA TRP A 83 14.645 7.405 -6.369 1.00 0.00 H new ATOM 0 HB2 TRP A 83 13.269 7.980 -4.589 1.00 0.00 H new ATOM 0 HB3 TRP A 83 12.557 6.382 -4.484 1.00 0.00 H new ATOM 0 HD1 TRP A 83 13.386 5.371 -2.222 1.00 0.00 H new ATOM 0 HE1 TRP A 83 15.621 5.140 -0.931 1.00 0.00 H new ATOM 0 HE3 TRP A 83 16.237 8.071 -5.432 1.00 0.00 H new ATOM 0 HZ2 TRP A 83 18.290 6.042 -1.301 1.00 0.00 H new ATOM 0 HZ3 TRP A 83 18.647 8.345 -4.889 1.00 0.00 H new ATOM 0 HH2 TRP A 83 19.680 7.377 -2.910 1.00 0.00 H new ATOM 1140 N GLY A 84 14.101 4.301 -5.514 1.00 0.00 N ATOM 1141 CA GLY A 84 14.644 2.954 -5.556 1.00 0.00 C ATOM 1142 C GLY A 84 14.248 2.163 -4.309 1.00 0.00 C ATOM 1143 O GLY A 84 13.072 1.874 -4.100 1.00 0.00 O ATOM 0 H GLY A 84 13.327 4.428 -4.861 1.00 0.00 H new ATOM 0 HA2 GLY A 84 14.282 2.440 -6.447 1.00 0.00 H new ATOM 0 HA3 GLY A 84 15.730 2.999 -5.633 1.00 0.00 H new ATOM 1147 N THR A 85 15.255 1.832 -3.512 1.00 0.00 N ATOM 1148 CA THR A 85 15.026 1.081 -2.291 1.00 0.00 C ATOM 1149 C THR A 85 14.952 -0.418 -2.594 1.00 0.00 C ATOM 1150 O THR A 85 15.716 -1.206 -2.037 1.00 0.00 O ATOM 1151 CB THR A 85 13.763 1.628 -1.628 1.00 0.00 C ATOM 1152 OG1 THR A 85 13.911 3.044 -1.713 1.00 0.00 O ATOM 1153 CG2 THR A 85 13.724 1.352 -0.122 1.00 0.00 C ATOM 0 H THR A 85 16.231 2.071 -3.689 1.00 0.00 H new ATOM 0 HA THR A 85 15.854 1.201 -1.592 1.00 0.00 H new ATOM 0 HB THR A 85 12.886 1.188 -2.103 1.00 0.00 H new ATOM 0 HG1 THR A 85 14.388 3.371 -0.922 1.00 0.00 H new ATOM 0 HG21 THR A 85 12.806 1.762 0.299 1.00 0.00 H new ATOM 0 HG22 THR A 85 13.755 0.276 0.052 1.00 0.00 H new ATOM 0 HG23 THR A 85 14.584 1.821 0.356 1.00 0.00 H new ATOM 1161 N VAL A 86 14.026 -0.766 -3.475 1.00 0.00 N ATOM 1162 CA VAL A 86 13.843 -2.156 -3.857 1.00 0.00 C ATOM 1163 C VAL A 86 13.228 -2.925 -2.688 1.00 0.00 C ATOM 1164 O VAL A 86 12.031 -2.818 -2.428 1.00 0.00 O ATOM 1165 CB VAL A 86 15.171 -2.747 -4.332 1.00 0.00 C ATOM 1166 CG1 VAL A 86 15.023 -4.234 -4.664 1.00 0.00 C ATOM 1167 CG2 VAL A 86 15.721 -1.971 -5.530 1.00 0.00 C ATOM 0 H VAL A 86 13.395 -0.110 -3.935 1.00 0.00 H new ATOM 0 HA VAL A 86 13.151 -2.234 -4.695 1.00 0.00 H new ATOM 0 HB VAL A 86 15.888 -2.655 -3.516 1.00 0.00 H new ATOM 0 HG11 VAL A 86 15.982 -4.629 -4.999 1.00 0.00 H new ATOM 0 HG12 VAL A 86 14.698 -4.775 -3.775 1.00 0.00 H new ATOM 0 HG13 VAL A 86 14.283 -4.358 -5.455 1.00 0.00 H new ATOM 0 HG21 VAL A 86 16.666 -2.413 -5.847 1.00 0.00 H new ATOM 0 HG22 VAL A 86 15.006 -2.015 -6.352 1.00 0.00 H new ATOM 0 HG23 VAL A 86 15.884 -0.931 -5.246 1.00 0.00 H new ATOM 1177 N ASP A 87 14.076 -3.688 -2.012 1.00 0.00 N ATOM 1178 CA ASP A 87 13.632 -4.475 -0.875 1.00 0.00 C ATOM 1179 C ASP A 87 13.199 -3.537 0.254 1.00 0.00 C ATOM 1180 O ASP A 87 14.037 -2.928 0.916 1.00 0.00 O ATOM 1181 CB ASP A 87 14.760 -5.361 -0.345 1.00 0.00 C ATOM 1182 CG ASP A 87 14.361 -6.809 -0.052 1.00 0.00 C ATOM 1183 OD1 ASP A 87 14.720 -7.674 -0.881 1.00 0.00 O ATOM 1184 OD2 ASP A 87 13.710 -7.020 0.993 1.00 0.00 O ATOM 0 H ASP A 87 15.068 -3.777 -2.231 1.00 0.00 H new ATOM 0 HA ASP A 87 12.803 -5.102 -1.204 1.00 0.00 H new ATOM 0 HB2 ASP A 87 15.572 -5.364 -1.072 1.00 0.00 H new ATOM 0 HB3 ASP A 87 15.152 -4.916 0.569 1.00 0.00 H new ATOM 1190 N CYS A 88 11.889 -3.448 0.435 1.00 0.00 N ATOM 1191 CA CYS A 88 11.334 -2.594 1.472 1.00 0.00 C ATOM 1192 C CYS A 88 11.214 -3.412 2.758 1.00 0.00 C ATOM 1193 O CYS A 88 10.111 -3.650 3.246 1.00 0.00 O ATOM 1194 CB CYS A 88 9.991 -1.993 1.051 1.00 0.00 C ATOM 1195 SG CYS A 88 8.996 -1.302 2.423 1.00 0.00 S ATOM 0 H CYS A 88 11.197 -3.953 -0.118 1.00 0.00 H new ATOM 0 HA CYS A 88 12.000 -1.748 1.643 1.00 0.00 H new ATOM 0 HB2 CYS A 88 10.174 -1.205 0.321 1.00 0.00 H new ATOM 0 HB3 CYS A 88 9.406 -2.763 0.548 1.00 0.00 H new ATOM 1200 N THR A 89 12.366 -3.823 3.270 1.00 0.00 N ATOM 1201 CA THR A 89 12.405 -4.613 4.489 1.00 0.00 C ATOM 1202 C THR A 89 12.842 -3.745 5.670 1.00 0.00 C ATOM 1203 O THR A 89 12.794 -4.182 6.819 1.00 0.00 O ATOM 1204 CB THR A 89 13.320 -5.814 4.246 1.00 0.00 C ATOM 1205 OG1 THR A 89 13.711 -6.221 5.554 1.00 0.00 O ATOM 1206 CG2 THR A 89 14.634 -5.421 3.568 1.00 0.00 C ATOM 0 H THR A 89 13.279 -3.623 2.862 1.00 0.00 H new ATOM 0 HA THR A 89 11.416 -4.989 4.749 1.00 0.00 H new ATOM 0 HB THR A 89 12.801 -6.548 3.631 1.00 0.00 H new ATOM 0 HG1 THR A 89 13.129 -5.795 6.217 1.00 0.00 H new ATOM 0 HG21 THR A 89 15.246 -6.310 3.419 1.00 0.00 H new ATOM 0 HG22 THR A 89 14.422 -4.960 2.603 1.00 0.00 H new ATOM 0 HG23 THR A 89 15.171 -4.712 4.198 1.00 0.00 H new ATOM 1214 N THR A 90 13.260 -2.528 5.351 1.00 0.00 N ATOM 1215 CA THR A 90 13.706 -1.596 6.371 1.00 0.00 C ATOM 1216 C THR A 90 12.527 -0.771 6.891 1.00 0.00 C ATOM 1217 O THR A 90 12.249 -0.765 8.089 1.00 0.00 O ATOM 1218 CB THR A 90 14.830 -0.744 5.774 1.00 0.00 C ATOM 1219 OG1 THR A 90 15.956 -1.615 5.764 1.00 0.00 O ATOM 1220 CG2 THR A 90 15.250 0.400 6.700 1.00 0.00 C ATOM 0 H THR A 90 13.299 -2.166 4.398 1.00 0.00 H new ATOM 0 HA THR A 90 14.103 -2.120 7.240 1.00 0.00 H new ATOM 0 HB THR A 90 14.508 -0.336 4.816 1.00 0.00 H new ATOM 0 HG1 THR A 90 16.730 -1.144 5.391 1.00 0.00 H new ATOM 0 HG21 THR A 90 16.049 0.973 6.230 1.00 0.00 H new ATOM 0 HG22 THR A 90 14.396 1.052 6.884 1.00 0.00 H new ATOM 0 HG23 THR A 90 15.605 -0.009 7.646 1.00 0.00 H new ATOM 1228 N ALA A 91 11.866 -0.094 5.962 1.00 0.00 N ATOM 1229 CA ALA A 91 10.724 0.732 6.313 1.00 0.00 C ATOM 1230 C ALA A 91 9.444 -0.098 6.201 1.00 0.00 C ATOM 1231 O ALA A 91 9.289 -0.884 5.266 1.00 0.00 O ATOM 1232 CB ALA A 91 10.694 1.970 5.414 1.00 0.00 C ATOM 0 H ALA A 91 12.100 -0.101 4.969 1.00 0.00 H new ATOM 0 HA ALA A 91 10.804 1.077 7.344 1.00 0.00 H new ATOM 0 HB1 ALA A 91 9.837 2.590 5.677 1.00 0.00 H new ATOM 0 HB2 ALA A 91 11.612 2.542 5.552 1.00 0.00 H new ATOM 0 HB3 ALA A 91 10.612 1.661 4.372 1.00 0.00 H new ATOM 1238 N ALA A 92 8.560 0.102 7.169 1.00 0.00 N ATOM 1239 CA ALA A 92 7.300 -0.620 7.190 1.00 0.00 C ATOM 1240 C ALA A 92 6.402 -0.105 6.063 1.00 0.00 C ATOM 1241 O ALA A 92 5.985 1.053 6.077 1.00 0.00 O ATOM 1242 CB ALA A 92 6.649 -0.472 8.566 1.00 0.00 C ATOM 0 H ALA A 92 8.692 0.753 7.943 1.00 0.00 H new ATOM 0 HA ALA A 92 7.466 -1.684 7.020 1.00 0.00 H new ATOM 0 HB1 ALA A 92 5.703 -1.014 8.581 1.00 0.00 H new ATOM 0 HB2 ALA A 92 7.313 -0.879 9.328 1.00 0.00 H new ATOM 0 HB3 ALA A 92 6.466 0.583 8.770 1.00 0.00 H new ATOM 1248 N CYS A 93 6.132 -0.988 5.113 1.00 0.00 N ATOM 1249 CA CYS A 93 5.290 -0.636 3.980 1.00 0.00 C ATOM 1250 C CYS A 93 3.830 -0.829 4.390 1.00 0.00 C ATOM 1251 O CYS A 93 3.441 -1.909 4.833 1.00 0.00 O ATOM 1252 CB CYS A 93 5.648 -1.454 2.736 1.00 0.00 C ATOM 1253 SG CYS A 93 7.335 -2.160 2.739 1.00 0.00 S ATOM 0 H CYS A 93 6.481 -1.946 5.104 1.00 0.00 H new ATOM 0 HA CYS A 93 5.455 0.407 3.709 1.00 0.00 H new ATOM 0 HB2 CYS A 93 4.930 -2.267 2.635 1.00 0.00 H new ATOM 0 HB3 CYS A 93 5.537 -0.819 1.857 1.00 0.00 H new ATOM 1258 N GLN A 94 3.058 0.237 4.227 1.00 0.00 N ATOM 1259 CA GLN A 94 1.647 0.199 4.574 1.00 0.00 C ATOM 1260 C GLN A 94 0.792 0.120 3.309 1.00 0.00 C ATOM 1261 O GLN A 94 0.837 1.015 2.466 1.00 0.00 O ATOM 1262 CB GLN A 94 1.258 1.412 5.422 1.00 0.00 C ATOM 1263 CG GLN A 94 0.722 2.545 4.545 1.00 0.00 C ATOM 1264 CD GLN A 94 0.375 3.775 5.388 1.00 0.00 C ATOM 1265 OE1 GLN A 94 -0.774 4.046 5.691 1.00 0.00 O ATOM 1266 NE2 GLN A 94 1.432 4.500 5.747 1.00 0.00 N ATOM 0 H GLN A 94 3.383 1.131 3.860 1.00 0.00 H new ATOM 0 HA GLN A 94 1.464 -0.695 5.170 1.00 0.00 H new ATOM 0 HB2 GLN A 94 0.501 1.123 6.151 1.00 0.00 H new ATOM 0 HB3 GLN A 94 2.125 1.761 5.983 1.00 0.00 H new ATOM 0 HG2 GLN A 94 1.466 2.812 3.795 1.00 0.00 H new ATOM 0 HG3 GLN A 94 -0.164 2.206 4.008 1.00 0.00 H new ATOM 0 HE21 GLN A 94 2.368 4.215 5.458 1.00 0.00 H new ATOM 0 HE22 GLN A 94 1.306 5.341 6.311 1.00 0.00 H new ATOM 1275 N VAL A 95 0.032 -0.962 3.214 1.00 0.00 N ATOM 1276 CA VAL A 95 -0.833 -1.172 2.065 1.00 0.00 C ATOM 1277 C VAL A 95 -2.195 -0.533 2.335 1.00 0.00 C ATOM 1278 O VAL A 95 -2.801 -0.770 3.379 1.00 0.00 O ATOM 1279 CB VAL A 95 -0.927 -2.666 1.746 1.00 0.00 C ATOM 1280 CG1 VAL A 95 -1.470 -2.891 0.333 1.00 0.00 C ATOM 1281 CG2 VAL A 95 0.430 -3.351 1.928 1.00 0.00 C ATOM 0 H VAL A 95 -0.003 -1.703 3.914 1.00 0.00 H new ATOM 0 HA VAL A 95 -0.416 -0.690 1.181 1.00 0.00 H new ATOM 0 HB VAL A 95 -1.627 -3.117 2.450 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -1.527 -3.961 0.131 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -2.465 -2.453 0.251 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -0.806 -2.420 -0.391 1.00 0.00 H new ATOM 0 HG21 VAL A 95 0.336 -4.412 1.695 1.00 0.00 H new ATOM 0 HG22 VAL A 95 1.160 -2.896 1.259 1.00 0.00 H new ATOM 0 HG23 VAL A 95 0.761 -3.234 2.960 1.00 0.00 H new ATOM 1291 N GLY A 96 -2.640 0.266 1.376 1.00 0.00 N ATOM 1292 CA GLY A 96 -3.919 0.942 1.496 1.00 0.00 C ATOM 1293 C GLY A 96 -4.300 1.637 0.188 1.00 0.00 C ATOM 1294 O GLY A 96 -3.506 1.676 -0.752 1.00 0.00 O ATOM 0 H GLY A 96 -2.136 0.460 0.511 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -4.691 0.221 1.766 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -3.872 1.676 2.301 1.00 0.00 H new ATOM 1298 N LEU A 97 -5.514 2.165 0.165 1.00 0.00 N ATOM 1299 CA LEU A 97 -6.009 2.855 -1.014 1.00 0.00 C ATOM 1300 C LEU A 97 -5.950 4.366 -0.776 1.00 0.00 C ATOM 1301 O LEU A 97 -6.508 4.868 0.197 1.00 0.00 O ATOM 1302 CB LEU A 97 -7.402 2.346 -1.387 1.00 0.00 C ATOM 1303 CG LEU A 97 -7.875 1.087 -0.658 1.00 0.00 C ATOM 1304 CD1 LEU A 97 -9.305 0.723 -1.057 1.00 0.00 C ATOM 1305 CD2 LEU A 97 -6.904 -0.075 -0.885 1.00 0.00 C ATOM 0 H LEU A 97 -6.171 2.129 0.945 1.00 0.00 H new ATOM 0 HA LEU A 97 -5.376 2.641 -1.875 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -8.121 3.143 -1.197 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -7.420 2.149 -2.459 1.00 0.00 H new ATOM 0 HG LEU A 97 -7.884 1.297 0.412 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -9.614 -0.176 -0.523 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -9.974 1.545 -0.802 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -9.348 0.540 -2.131 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -7.263 -0.958 -0.356 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -6.839 -0.292 -1.951 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -5.917 0.197 -0.509 1.00 0.00 H new ATOM 1317 N SER A 98 -5.270 5.048 -1.687 1.00 0.00 N ATOM 1318 CA SER A 98 -5.130 6.491 -1.590 1.00 0.00 C ATOM 1319 C SER A 98 -6.038 7.174 -2.616 1.00 0.00 C ATOM 1320 O SER A 98 -6.499 6.540 -3.563 1.00 0.00 O ATOM 1321 CB SER A 98 -3.677 6.920 -1.797 1.00 0.00 C ATOM 1322 OG SER A 98 -3.308 6.909 -3.177 1.00 0.00 O ATOM 0 H SER A 98 -4.811 4.628 -2.495 1.00 0.00 H new ATOM 0 HA SER A 98 -5.430 6.797 -0.588 1.00 0.00 H new ATOM 0 HB2 SER A 98 -3.533 7.921 -1.391 1.00 0.00 H new ATOM 0 HB3 SER A 98 -3.019 6.253 -1.240 1.00 0.00 H new ATOM 0 HG SER A 98 -2.374 7.190 -3.268 1.00 0.00 H new ATOM 1328 N ASP A 99 -6.266 8.461 -2.390 1.00 0.00 N ATOM 1329 CA ASP A 99 -7.112 9.237 -3.283 1.00 0.00 C ATOM 1330 C ASP A 99 -6.234 9.956 -4.309 1.00 0.00 C ATOM 1331 O ASP A 99 -5.031 10.112 -4.104 1.00 0.00 O ATOM 1332 CB ASP A 99 -7.901 10.297 -2.512 1.00 0.00 C ATOM 1333 CG ASP A 99 -7.499 10.462 -1.045 1.00 0.00 C ATOM 1334 OD1 ASP A 99 -6.278 10.405 -0.781 1.00 0.00 O ATOM 1335 OD2 ASP A 99 -8.421 10.641 -0.221 1.00 0.00 O ATOM 0 H ASP A 99 -5.881 8.984 -1.604 1.00 0.00 H new ATOM 0 HA ASP A 99 -7.808 8.553 -3.769 1.00 0.00 H new ATOM 0 HB2 ASP A 99 -7.781 11.256 -3.016 1.00 0.00 H new ATOM 0 HB3 ASP A 99 -8.960 10.044 -2.557 1.00 0.00 H new ATOM 1341 N ALA A 100 -6.870 10.372 -5.395 1.00 0.00 N ATOM 1342 CA ALA A 100 -6.163 11.071 -6.455 1.00 0.00 C ATOM 1343 C ALA A 100 -6.192 12.575 -6.177 1.00 0.00 C ATOM 1344 O ALA A 100 -5.930 13.381 -7.068 1.00 0.00 O ATOM 1345 CB ALA A 100 -6.789 10.716 -7.807 1.00 0.00 C ATOM 0 H ALA A 100 -7.867 10.238 -5.563 1.00 0.00 H new ATOM 0 HA ALA A 100 -5.118 10.762 -6.487 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -6.259 11.240 -8.602 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -6.717 9.641 -7.970 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -7.837 11.014 -7.812 1.00 0.00 H new ATOM 1351 N ALA A 101 -6.512 12.909 -4.935 1.00 0.00 N ATOM 1352 CA ALA A 101 -6.578 14.302 -4.527 1.00 0.00 C ATOM 1353 C ALA A 101 -5.360 14.633 -3.661 1.00 0.00 C ATOM 1354 O ALA A 101 -4.949 15.791 -3.581 1.00 0.00 O ATOM 1355 CB ALA A 101 -7.898 14.558 -3.799 1.00 0.00 C ATOM 0 H ALA A 101 -6.728 12.238 -4.198 1.00 0.00 H new ATOM 0 HA ALA A 101 -6.553 14.959 -5.396 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -7.948 15.603 -3.493 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -8.731 14.335 -4.466 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -7.958 13.919 -2.918 1.00 0.00 H new ATOM 1361 N GLY A 102 -4.818 13.599 -3.039 1.00 0.00 N ATOM 1362 CA GLY A 102 -3.655 13.767 -2.183 1.00 0.00 C ATOM 1363 C GLY A 102 -4.074 14.024 -0.732 1.00 0.00 C ATOM 1364 O GLY A 102 -3.659 15.013 -0.130 1.00 0.00 O ATOM 0 H GLY A 102 -5.161 12.641 -3.110 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -3.031 12.875 -2.232 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -3.051 14.599 -2.544 1.00 0.00 H new ATOM 1368 N ASN A 103 -4.892 13.119 -0.217 1.00 0.00 N ATOM 1369 CA ASN A 103 -5.373 13.236 1.150 1.00 0.00 C ATOM 1370 C ASN A 103 -4.860 12.051 1.969 1.00 0.00 C ATOM 1371 O ASN A 103 -4.688 10.954 1.439 1.00 0.00 O ATOM 1372 CB ASN A 103 -6.901 13.220 1.199 1.00 0.00 C ATOM 1373 CG ASN A 103 -7.494 14.189 0.175 1.00 0.00 C ATOM 1374 OD1 ASN A 103 -8.051 13.799 -0.838 1.00 0.00 O ATOM 1375 ND2 ASN A 103 -7.341 15.472 0.491 1.00 0.00 N ATOM 0 H ASN A 103 -5.234 12.301 -0.721 1.00 0.00 H new ATOM 0 HA ASN A 103 -5.010 14.180 1.556 1.00 0.00 H new ATOM 0 HB2 ASN A 103 -7.264 12.211 1.002 1.00 0.00 H new ATOM 0 HB3 ASN A 103 -7.239 13.491 2.199 1.00 0.00 H new ATOM 0 HD21 ASN A 103 -7.700 16.197 -0.131 1.00 0.00 H new ATOM 0 HD22 ASN A 103 -6.865 15.731 1.355 1.00 0.00 H new ATOM 1382 N GLY A 104 -4.630 12.311 3.247 1.00 0.00 N ATOM 1383 CA GLY A 104 -4.142 11.278 4.145 1.00 0.00 C ATOM 1384 C GLY A 104 -4.753 9.918 3.802 1.00 0.00 C ATOM 1385 O GLY A 104 -5.877 9.619 4.206 1.00 0.00 O ATOM 0 H GLY A 104 -4.772 13.222 3.683 1.00 0.00 H new ATOM 0 HA2 GLY A 104 -3.056 11.219 4.080 1.00 0.00 H new ATOM 0 HA3 GLY A 104 -4.386 11.541 5.174 1.00 0.00 H new ATOM 1389 N PRO A 105 -3.967 9.109 3.041 1.00 0.00 N ATOM 1390 CA PRO A 105 -4.420 7.789 2.640 1.00 0.00 C ATOM 1391 C PRO A 105 -4.356 6.807 3.812 1.00 0.00 C ATOM 1392 O PRO A 105 -3.410 6.833 4.597 1.00 0.00 O ATOM 1393 CB PRO A 105 -3.512 7.397 1.485 1.00 0.00 C ATOM 1394 CG PRO A 105 -2.297 8.300 1.586 1.00 0.00 C ATOM 1395 CD PRO A 105 -2.633 9.430 2.547 1.00 0.00 C ATOM 0 HA PRO A 105 -5.465 7.778 2.330 1.00 0.00 H new ATOM 0 HB2 PRO A 105 -3.225 6.348 1.552 1.00 0.00 H new ATOM 0 HB3 PRO A 105 -4.018 7.528 0.528 1.00 0.00 H new ATOM 0 HG2 PRO A 105 -1.433 7.739 1.944 1.00 0.00 H new ATOM 0 HG3 PRO A 105 -2.035 8.698 0.606 1.00 0.00 H new ATOM 0 HD2 PRO A 105 -1.911 9.485 3.362 1.00 0.00 H new ATOM 0 HD3 PRO A 105 -2.619 10.396 2.043 1.00 0.00 H new ATOM 1403 N GLU A 106 -5.376 5.965 3.894 1.00 0.00 N ATOM 1404 CA GLU A 106 -5.447 4.978 4.955 1.00 0.00 C ATOM 1405 C GLU A 106 -4.790 3.669 4.510 1.00 0.00 C ATOM 1406 O GLU A 106 -5.275 3.011 3.591 1.00 0.00 O ATOM 1407 CB GLU A 106 -6.894 4.743 5.391 1.00 0.00 C ATOM 1408 CG GLU A 106 -7.180 5.420 6.735 1.00 0.00 C ATOM 1409 CD GLU A 106 -7.951 6.727 6.539 1.00 0.00 C ATOM 1410 OE1 GLU A 106 -7.420 7.769 6.981 1.00 0.00 O ATOM 1411 OE2 GLU A 106 -9.052 6.654 5.951 1.00 0.00 O ATOM 0 H GLU A 106 -6.160 5.947 3.242 1.00 0.00 H new ATOM 0 HA GLU A 106 -4.900 5.362 5.816 1.00 0.00 H new ATOM 0 HB2 GLU A 106 -7.574 5.131 4.632 1.00 0.00 H new ATOM 0 HB3 GLU A 106 -7.084 3.673 5.471 1.00 0.00 H new ATOM 0 HG2 GLU A 106 -7.755 4.746 7.370 1.00 0.00 H new ATOM 0 HG3 GLU A 106 -6.242 5.621 7.252 1.00 0.00 H new ATOM 1419 N GLY A 107 -3.699 3.331 5.183 1.00 0.00 N ATOM 1420 CA GLY A 107 -2.972 2.114 4.865 1.00 0.00 C ATOM 1421 C GLY A 107 -2.549 1.381 6.139 1.00 0.00 C ATOM 1422 O GLY A 107 -2.323 2.008 7.174 1.00 0.00 O ATOM 0 H GLY A 107 -3.302 3.879 5.946 1.00 0.00 H new ATOM 0 HA2 GLY A 107 -3.597 1.461 4.256 1.00 0.00 H new ATOM 0 HA3 GLY A 107 -2.091 2.357 4.271 1.00 0.00 H new ATOM 1426 N VAL A 108 -2.457 0.065 6.024 1.00 0.00 N ATOM 1427 CA VAL A 108 -2.065 -0.760 7.154 1.00 0.00 C ATOM 1428 C VAL A 108 -0.619 -1.222 6.968 1.00 0.00 C ATOM 1429 O VAL A 108 -0.251 -1.706 5.898 1.00 0.00 O ATOM 1430 CB VAL A 108 -3.047 -1.922 7.321 1.00 0.00 C ATOM 1431 CG1 VAL A 108 -2.676 -3.088 6.402 1.00 0.00 C ATOM 1432 CG2 VAL A 108 -3.119 -2.374 8.780 1.00 0.00 C ATOM 0 H VAL A 108 -2.647 -0.451 5.165 1.00 0.00 H new ATOM 0 HA VAL A 108 -2.105 -0.183 8.078 1.00 0.00 H new ATOM 0 HB VAL A 108 -4.037 -1.569 7.032 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -3.389 -3.901 6.540 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -2.701 -2.755 5.364 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -1.674 -3.439 6.647 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -3.824 -3.201 8.870 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -2.132 -2.701 9.109 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -3.452 -1.543 9.402 1.00 0.00 H new ATOM 1442 N ALA A 109 0.165 -1.056 8.023 1.00 0.00 N ATOM 1443 CA ALA A 109 1.564 -1.449 7.987 1.00 0.00 C ATOM 1444 C ALA A 109 1.659 -2.974 8.018 1.00 0.00 C ATOM 1445 O ALA A 109 1.592 -3.583 9.086 1.00 0.00 O ATOM 1446 CB ALA A 109 2.308 -0.794 9.153 1.00 0.00 C ATOM 0 H ALA A 109 -0.142 -0.654 8.909 1.00 0.00 H new ATOM 0 HA ALA A 109 2.037 -1.107 7.066 1.00 0.00 H new ATOM 0 HB1 ALA A 109 3.357 -1.088 9.126 1.00 0.00 H new ATOM 0 HB2 ALA A 109 2.233 0.290 9.069 1.00 0.00 H new ATOM 0 HB3 ALA A 109 1.864 -1.117 10.095 1.00 0.00 H new ATOM 1452 N ILE A 110 1.817 -3.549 6.835 1.00 0.00 N ATOM 1453 CA ILE A 110 1.923 -4.995 6.713 1.00 0.00 C ATOM 1454 C ILE A 110 3.250 -5.457 7.316 1.00 0.00 C ATOM 1455 O ILE A 110 4.194 -4.673 7.423 1.00 0.00 O ATOM 1456 CB ILE A 110 1.724 -5.425 5.259 1.00 0.00 C ATOM 1457 CG1 ILE A 110 1.186 -6.856 5.179 1.00 0.00 C ATOM 1458 CG2 ILE A 110 3.014 -5.252 4.457 1.00 0.00 C ATOM 1459 CD1 ILE A 110 -0.233 -6.939 5.745 1.00 0.00 C ATOM 0 H ILE A 110 1.874 -3.041 5.952 1.00 0.00 H new ATOM 0 HA ILE A 110 1.129 -5.485 7.277 1.00 0.00 H new ATOM 0 HB ILE A 110 0.974 -4.774 4.809 1.00 0.00 H new ATOM 0 HG12 ILE A 110 1.188 -7.192 4.142 1.00 0.00 H new ATOM 0 HG13 ILE A 110 1.842 -7.527 5.733 1.00 0.00 H new ATOM 0 HG21 ILE A 110 2.846 -5.565 3.426 1.00 0.00 H new ATOM 0 HG22 ILE A 110 3.315 -4.205 4.474 1.00 0.00 H new ATOM 0 HG23 ILE A 110 3.801 -5.863 4.898 1.00 0.00 H new ATOM 0 HD11 ILE A 110 -0.592 -7.966 5.677 1.00 0.00 H new ATOM 0 HD12 ILE A 110 -0.227 -6.625 6.789 1.00 0.00 H new ATOM 0 HD13 ILE A 110 -0.892 -6.285 5.173 1.00 0.00 H new ATOM 1471 N SER A 111 3.282 -6.724 7.696 1.00 0.00 N ATOM 1472 CA SER A 111 4.479 -7.300 8.284 1.00 0.00 C ATOM 1473 C SER A 111 5.622 -7.285 7.268 1.00 0.00 C ATOM 1474 O SER A 111 6.052 -8.337 6.797 1.00 0.00 O ATOM 1475 CB SER A 111 4.221 -8.728 8.772 1.00 0.00 C ATOM 1476 OG SER A 111 4.936 -9.020 9.970 1.00 0.00 O ATOM 0 H SER A 111 2.497 -7.370 7.608 1.00 0.00 H new ATOM 0 HA SER A 111 4.761 -6.695 9.146 1.00 0.00 H new ATOM 0 HB2 SER A 111 3.153 -8.865 8.944 1.00 0.00 H new ATOM 0 HB3 SER A 111 4.512 -9.435 7.995 1.00 0.00 H new ATOM 0 HG SER A 111 4.744 -9.939 10.250 1.00 0.00 H new