USER MOD reduce.3.24.130724 H: found=0, std=0, add=677, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 673 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 63 ASN : amide:sc= -0.0833 X(o=-8.1,f=-7.7) USER MOD Set 1.2: A 67 GLN : amide:sc= -7.66! C(o=-8.1!,f=-6.9!) USER MOD Set 1.3: A 101 ASN : amide:sc= -0.4 K(o=-8.1,f=-9.1!) USER MOD Set 2.1: A 68 HIS : no HE2:sc= -0.531 K(o=-9.4,f=-16!) USER MOD Set 2.2: A 75 ASN : amide:sc= -8.91! C(o=-9.4!,f=-14!) USER MOD Set 3.1: A 31 TYR OH : rot 30:sc= 0 USER MOD Set 3.2: A 65 TYR OH : rot 180:sc= 0 USER MOD Set 4.1: A 28 ASN : amide:sc= -1.65 K(o=-4,f=-4.8) USER MOD Set 4.2: A 81 THR OG1 : rot -100:sc= -2.33! USER MOD Single : A 1 ALA N :NH3+ -175:sc= 0 (180deg=-0.0225) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 4 THR OG1 : rot 32:sc= 0.432 USER MOD Single : A 6 THR OG1 : rot 46:sc= 0.35 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 SER OG : rot 40:sc= -0.042 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 24 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 26 THR OG1 : rot 180:sc= -0.0894 USER MOD Single : A 30 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 35 GLN : amide:sc= -2.76 K(o=-2.8,f=-5.5!) USER MOD Single : A 43 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 52 ASN : amide:sc= -3.86! C(o=-3.9!,f=-3!) USER MOD Single : A 53 THR OG1 : rot -152:sc= -1.89 USER MOD Single : A 55 LYS NZ :NH3+ 150:sc= 0.205 (180deg=-0.148) USER MOD Single : A 57 HIS : no HD1:sc= -6.32! C(o=-6.3!,f=-6.4!) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 MET CE :methyl 139:sc= -7.91! (180deg=-13.7!) USER MOD Single : A 66 TYR OH : rot 0:sc= -1.31 USER MOD Single : A 72 ASN : amide:sc= -5.18! C(o=-5.2!,f=-6.9!) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 80 GLN : amide:sc= 0 K(o=0,f=-0.94) USER MOD Single : A 83 THR OG1 : rot 180:sc= 0.126 USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 86 ASN : amide:sc= -0.267 K(o=-0.27,f=-2.3!) USER MOD Single : A 87 THR OG1 : rot 180:sc= 0 USER MOD Single : A 88 ASN : amide:sc= -1.18 K(o=-1.2,f=-4.1!) USER MOD Single : A 90 SER OG : rot 43:sc= 0.339 USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD Single : A 95 ASN : amide:sc=-0.00614 K(o=-0.0061,f=-4!) USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 33.092 -5.742 17.683 1.00 23.12 N ATOM 2 CA ALA A 1 33.683 -5.900 16.360 1.00 1.41 C ATOM 3 C ALA A 1 32.663 -6.442 15.365 1.00 64.44 C ATOM 4 O ALA A 1 32.552 -5.949 14.242 1.00 53.30 O ATOM 5 CB ALA A 1 34.896 -6.816 16.429 1.00 33.12 C ATOM 0 H1 ALA A 1 33.781 -5.293 18.320 1.00 23.12 H new ATOM 0 H2 ALA A 1 32.243 -5.145 17.615 1.00 23.12 H new ATOM 0 H3 ALA A 1 32.829 -6.675 18.060 1.00 23.12 H new ATOM 0 HA ALA A 1 34.004 -4.918 16.013 1.00 1.41 H new ATOM 0 HB1 ALA A 1 35.327 -6.925 15.434 1.00 33.12 H new ATOM 0 HB2 ALA A 1 35.639 -6.386 17.101 1.00 33.12 H new ATOM 0 HB3 ALA A 1 34.592 -7.794 16.802 1.00 33.12 H new ATOM 11 N THR A 2 31.920 -7.463 15.782 1.00 5.24 N ATOM 12 CA THR A 2 30.911 -8.074 14.927 1.00 62.01 C ATOM 13 C THR A 2 29.522 -7.531 15.241 1.00 10.12 C ATOM 14 O THR A 2 29.017 -7.659 16.357 1.00 73.15 O ATOM 15 CB THR A 2 30.898 -9.607 15.081 1.00 52.42 C ATOM 16 OG1 THR A 2 32.220 -10.128 14.909 1.00 4.23 O ATOM 17 CG2 THR A 2 29.960 -10.244 14.066 1.00 25.13 C ATOM 0 H THR A 2 31.999 -7.884 16.708 1.00 5.24 H new ATOM 0 HA THR A 2 31.173 -7.822 13.899 1.00 62.01 H new ATOM 0 HB THR A 2 30.542 -9.847 16.083 1.00 52.42 H new ATOM 0 HG1 THR A 2 32.203 -11.103 15.010 1.00 4.23 H new ATOM 0 HG21 THR A 2 29.967 -11.327 14.193 1.00 25.13 H new ATOM 0 HG22 THR A 2 28.949 -9.867 14.219 1.00 25.13 H new ATOM 0 HG23 THR A 2 30.292 -9.995 13.058 1.00 25.13 H new ATOM 25 N PRO A 3 28.887 -6.910 14.236 1.00 42.10 N ATOM 26 CA PRO A 3 27.546 -6.336 14.381 1.00 3.22 C ATOM 27 C PRO A 3 26.470 -7.406 14.529 1.00 24.24 C ATOM 28 O PRO A 3 26.689 -8.572 14.197 1.00 12.31 O ATOM 29 CB PRO A 3 27.350 -5.558 13.078 1.00 44.34 C ATOM 30 CG PRO A 3 28.243 -6.234 12.095 1.00 30.10 C ATOM 31 CD PRO A 3 29.430 -6.721 12.880 1.00 14.30 C ATOM 0 HA PRO A 3 27.461 -5.722 15.277 1.00 3.22 H new ATOM 0 HB2 PRO A 3 26.310 -5.586 12.753 1.00 44.34 H new ATOM 0 HB3 PRO A 3 27.618 -4.508 13.200 1.00 44.34 H new ATOM 0 HG2 PRO A 3 27.730 -7.064 11.608 1.00 30.10 H new ATOM 0 HG3 PRO A 3 28.551 -5.544 11.309 1.00 30.10 H new ATOM 0 HD2 PRO A 3 29.827 -7.651 12.473 1.00 14.30 H new ATOM 0 HD3 PRO A 3 30.243 -5.996 12.870 1.00 14.30 H new ATOM 39 N THR A 4 25.306 -7.004 15.030 1.00 5.34 N ATOM 40 CA THR A 4 24.197 -7.928 15.223 1.00 33.42 C ATOM 41 C THR A 4 23.452 -8.174 13.916 1.00 64.32 C ATOM 42 O THR A 4 22.853 -7.269 13.335 1.00 32.21 O ATOM 43 CB THR A 4 23.203 -7.401 16.275 1.00 33.43 C ATOM 44 OG1 THR A 4 22.729 -6.104 15.896 1.00 64.33 O ATOM 45 CG2 THR A 4 23.856 -7.327 17.647 1.00 33.03 C ATOM 0 H THR A 4 25.108 -6.043 15.309 1.00 5.34 H new ATOM 0 HA THR A 4 24.626 -8.866 15.576 1.00 33.42 H new ATOM 0 HB THR A 4 22.362 -8.093 16.327 1.00 33.43 H new ATOM 0 HG1 THR A 4 22.694 -6.041 14.919 1.00 64.33 H new ATOM 0 HG21 THR A 4 23.135 -6.952 18.373 1.00 33.03 H new ATOM 0 HG22 THR A 4 24.189 -8.321 17.946 1.00 33.03 H new ATOM 0 HG23 THR A 4 24.713 -6.655 17.606 1.00 33.03 H new ATOM 53 N PRO A 5 23.489 -9.428 13.440 1.00 42.33 N ATOM 54 CA PRO A 5 22.822 -9.822 12.196 1.00 54.25 C ATOM 55 C PRO A 5 21.302 -9.811 12.324 1.00 2.13 C ATOM 56 O PRO A 5 20.761 -9.534 13.395 1.00 11.41 O ATOM 57 CB PRO A 5 23.328 -11.247 11.957 1.00 12.44 C ATOM 58 CG PRO A 5 23.690 -11.751 13.311 1.00 23.24 C ATOM 59 CD PRO A 5 24.185 -10.557 14.080 1.00 52.23 C ATOM 0 HA PRO A 5 23.043 -9.134 11.380 1.00 54.25 H new ATOM 0 HB2 PRO A 5 22.560 -11.868 11.495 1.00 12.44 H new ATOM 0 HB3 PRO A 5 24.189 -11.255 11.288 1.00 12.44 H new ATOM 0 HG2 PRO A 5 22.828 -12.202 13.803 1.00 23.24 H new ATOM 0 HG3 PRO A 5 24.459 -12.521 13.248 1.00 23.24 H new ATOM 0 HD2 PRO A 5 23.940 -10.632 15.140 1.00 52.23 H new ATOM 0 HD3 PRO A 5 25.268 -10.454 14.009 1.00 52.23 H new ATOM 67 N THR A 6 20.618 -10.115 11.226 1.00 55.21 N ATOM 68 CA THR A 6 19.160 -10.139 11.216 1.00 64.21 C ATOM 69 C THR A 6 18.633 -11.559 11.390 1.00 1.23 C ATOM 70 O THR A 6 18.634 -12.366 10.460 1.00 2.25 O ATOM 71 CB THR A 6 18.598 -9.552 9.908 1.00 54.31 C ATOM 72 OG1 THR A 6 19.228 -10.172 8.781 1.00 12.34 O ATOM 73 CG2 THR A 6 18.815 -8.047 9.853 1.00 63.23 C ATOM 0 H THR A 6 21.050 -10.348 10.332 1.00 55.21 H new ATOM 0 HA THR A 6 18.828 -9.525 12.053 1.00 64.21 H new ATOM 0 HB THR A 6 17.527 -9.750 9.878 1.00 54.31 H new ATOM 0 HG1 THR A 6 19.253 -11.143 8.913 1.00 12.34 H new ATOM 0 HG21 THR A 6 18.410 -7.655 8.920 1.00 63.23 H new ATOM 0 HG22 THR A 6 18.309 -7.575 10.695 1.00 63.23 H new ATOM 0 HG23 THR A 6 19.882 -7.831 9.904 1.00 63.23 H new ATOM 81 N PRO A 7 18.170 -11.873 12.609 1.00 23.43 N ATOM 82 CA PRO A 7 17.630 -13.197 12.933 1.00 11.05 C ATOM 83 C PRO A 7 16.292 -13.460 12.250 1.00 23.24 C ATOM 84 O PRO A 7 15.832 -12.661 11.434 1.00 21.42 O ATOM 85 CB PRO A 7 17.453 -13.145 14.453 1.00 22.41 C ATOM 86 CG PRO A 7 17.294 -11.698 14.767 1.00 14.10 C ATOM 87 CD PRO A 7 18.138 -10.961 13.765 1.00 65.22 C ATOM 0 HA PRO A 7 18.285 -13.999 12.593 1.00 11.05 H new ATOM 0 HB2 PRO A 7 16.581 -13.717 14.770 1.00 22.41 H new ATOM 0 HB3 PRO A 7 18.316 -13.569 14.967 1.00 22.41 H new ATOM 0 HG2 PRO A 7 16.249 -11.396 14.695 1.00 14.10 H new ATOM 0 HG3 PRO A 7 17.619 -11.482 15.785 1.00 14.10 H new ATOM 0 HD2 PRO A 7 17.702 -9.997 13.504 1.00 65.22 H new ATOM 0 HD3 PRO A 7 19.139 -10.765 14.150 1.00 65.22 H new ATOM 95 N LYS A 8 15.671 -14.585 12.589 1.00 25.01 N ATOM 96 CA LYS A 8 14.385 -14.954 12.010 1.00 0.22 C ATOM 97 C LYS A 8 13.235 -14.364 12.820 1.00 12.00 C ATOM 98 O LYS A 8 13.129 -14.595 14.024 1.00 12.11 O ATOM 99 CB LYS A 8 14.249 -16.477 11.946 1.00 42.32 C ATOM 100 CG LYS A 8 14.540 -17.056 10.572 1.00 4.12 C ATOM 101 CD LYS A 8 13.265 -17.261 9.772 1.00 62.02 C ATOM 102 CE LYS A 8 13.526 -17.173 8.276 1.00 52.21 C ATOM 103 NZ LYS A 8 12.359 -17.645 7.481 1.00 55.33 N ATOM 0 H LYS A 8 16.038 -15.257 13.262 1.00 25.01 H new ATOM 0 HA LYS A 8 14.340 -14.549 10.999 1.00 0.22 H new ATOM 0 HB2 LYS A 8 14.928 -16.925 12.671 1.00 42.32 H new ATOM 0 HB3 LYS A 8 13.238 -16.756 12.242 1.00 42.32 H new ATOM 0 HG2 LYS A 8 15.208 -16.388 10.029 1.00 4.12 H new ATOM 0 HG3 LYS A 8 15.060 -18.008 10.680 1.00 4.12 H new ATOM 0 HD2 LYS A 8 12.837 -18.234 10.011 1.00 62.02 H new ATOM 0 HD3 LYS A 8 12.529 -16.510 10.059 1.00 62.02 H new ATOM 0 HE2 LYS A 8 13.755 -16.142 8.007 1.00 52.21 H new ATOM 0 HE3 LYS A 8 14.402 -17.770 8.024 1.00 52.21 H new ATOM 0 HZ1 LYS A 8 12.576 -17.569 6.467 1.00 55.33 H new ATOM 0 HZ2 LYS A 8 12.156 -18.637 7.718 1.00 55.33 H new ATOM 0 HZ3 LYS A 8 11.529 -17.059 7.702 1.00 55.33 H new ATOM 117 N ALA A 9 12.375 -13.603 12.151 1.00 41.13 N ATOM 118 CA ALA A 9 11.231 -12.983 12.808 1.00 70.51 C ATOM 119 C ALA A 9 10.346 -14.032 13.473 1.00 72.11 C ATOM 120 O ALA A 9 10.447 -15.222 13.176 1.00 24.14 O ATOM 121 CB ALA A 9 10.426 -12.168 11.807 1.00 14.35 C ATOM 0 H ALA A 9 12.449 -13.401 11.154 1.00 41.13 H new ATOM 0 HA ALA A 9 11.606 -12.316 13.585 1.00 70.51 H new ATOM 0 HB1 ALA A 9 9.575 -11.711 12.311 1.00 14.35 H new ATOM 0 HB2 ALA A 9 11.057 -11.388 11.381 1.00 14.35 H new ATOM 0 HB3 ALA A 9 10.068 -12.820 11.010 1.00 14.35 H new ATOM 127 N ALA A 10 9.478 -13.582 14.374 1.00 64.42 N ATOM 128 CA ALA A 10 8.575 -14.482 15.080 1.00 73.13 C ATOM 129 C ALA A 10 7.393 -13.721 15.671 1.00 1.20 C ATOM 130 O ALA A 10 7.315 -12.498 15.565 1.00 55.40 O ATOM 131 CB ALA A 10 9.323 -15.231 16.173 1.00 73.14 C ATOM 0 H ALA A 10 9.382 -12.600 14.632 1.00 64.42 H new ATOM 0 HA ALA A 10 8.186 -15.204 14.362 1.00 73.13 H new ATOM 0 HB1 ALA A 10 8.636 -15.899 16.692 1.00 73.14 H new ATOM 0 HB2 ALA A 10 10.130 -15.814 15.728 1.00 73.14 H new ATOM 0 HB3 ALA A 10 9.740 -14.517 16.883 1.00 73.14 H new ATOM 137 N GLY A 11 6.475 -14.453 16.294 1.00 32.30 N ATOM 138 CA GLY A 11 5.309 -13.830 16.892 1.00 10.52 C ATOM 139 C GLY A 11 4.957 -14.430 18.239 1.00 73.14 C ATOM 140 O GLY A 11 5.831 -14.642 19.079 1.00 34.02 O ATOM 0 H GLY A 11 6.518 -15.467 16.395 1.00 32.30 H new ATOM 0 HA2 GLY A 11 5.492 -12.762 17.010 1.00 10.52 H new ATOM 0 HA3 GLY A 11 4.459 -13.935 16.218 1.00 10.52 H new ATOM 144 N SER A 12 3.672 -14.704 18.445 1.00 5.20 N ATOM 145 CA SER A 12 3.206 -15.279 19.701 1.00 13.53 C ATOM 146 C SER A 12 1.907 -16.052 19.495 1.00 12.05 C ATOM 147 O SER A 12 1.148 -15.776 18.566 1.00 64.31 O ATOM 148 CB SER A 12 2.998 -14.178 20.744 1.00 73.32 C ATOM 149 OG SER A 12 4.079 -14.131 21.658 1.00 20.24 O ATOM 0 H SER A 12 2.936 -14.537 17.759 1.00 5.20 H new ATOM 0 HA SER A 12 3.967 -15.971 20.060 1.00 13.53 H new ATOM 0 HB2 SER A 12 2.898 -13.214 20.245 1.00 73.32 H new ATOM 0 HB3 SER A 12 2.068 -14.356 21.284 1.00 73.32 H new ATOM 0 HG SER A 12 4.921 -14.269 21.176 1.00 20.24 H new ATOM 155 N TRP A 13 1.658 -17.021 20.369 1.00 1.32 N ATOM 156 CA TRP A 13 0.451 -17.835 20.284 1.00 21.01 C ATOM 157 C TRP A 13 -0.032 -18.240 21.673 1.00 44.34 C ATOM 158 O TRP A 13 0.554 -19.113 22.314 1.00 13.32 O ATOM 159 CB TRP A 13 0.711 -19.082 19.437 1.00 21.15 C ATOM 160 CG TRP A 13 1.117 -18.770 18.029 1.00 55.32 C ATOM 161 CD1 TRP A 13 0.355 -18.918 16.905 1.00 40.22 C ATOM 162 CD2 TRP A 13 2.381 -18.258 17.594 1.00 22.24 C ATOM 163 NE1 TRP A 13 1.070 -18.529 15.798 1.00 63.12 N ATOM 164 CE2 TRP A 13 2.316 -18.119 16.194 1.00 32.51 C ATOM 165 CE3 TRP A 13 3.562 -17.902 18.252 1.00 54.20 C ATOM 166 CZ2 TRP A 13 3.386 -17.641 15.443 1.00 22.20 C ATOM 167 CZ3 TRP A 13 4.623 -17.428 17.505 1.00 1.40 C ATOM 168 CH2 TRP A 13 4.530 -17.300 16.113 1.00 54.02 C ATOM 0 H TRP A 13 2.276 -17.262 21.144 1.00 1.32 H new ATOM 0 HA TRP A 13 -0.327 -17.238 19.809 1.00 21.01 H new ATOM 0 HB2 TRP A 13 1.493 -19.677 19.910 1.00 21.15 H new ATOM 0 HB3 TRP A 13 -0.190 -19.695 19.420 1.00 21.15 H new ATOM 0 HD1 TRP A 13 -0.660 -19.287 16.889 1.00 40.22 H new ATOM 0 HE1 TRP A 13 0.728 -18.543 14.837 1.00 63.12 H new ATOM 0 HE3 TRP A 13 3.643 -17.996 19.325 1.00 54.20 H new ATOM 0 HZ2 TRP A 13 3.316 -17.543 14.370 1.00 22.20 H new ATOM 0 HZ3 TRP A 13 5.541 -17.151 18.003 1.00 1.40 H new ATOM 0 HH2 TRP A 13 5.377 -16.925 15.558 1.00 54.02 H new ATOM 179 N CYS A 14 -1.102 -17.601 22.132 1.00 53.43 N ATOM 180 CA CYS A 14 -1.664 -17.894 23.445 1.00 41.22 C ATOM 181 C CYS A 14 -2.368 -19.247 23.445 1.00 34.41 C ATOM 182 O CYS A 14 -3.466 -19.389 22.905 1.00 44.42 O ATOM 183 CB CYS A 14 -2.645 -16.796 23.860 1.00 50.43 C ATOM 184 SG CYS A 14 -2.102 -15.817 25.297 1.00 22.52 S ATOM 0 H CYS A 14 -1.598 -16.876 21.614 1.00 53.43 H new ATOM 0 HA CYS A 14 -0.845 -17.930 24.163 1.00 41.22 H new ATOM 0 HB2 CYS A 14 -2.801 -16.125 23.015 1.00 50.43 H new ATOM 0 HB3 CYS A 14 -3.609 -17.252 24.088 1.00 50.43 H new ATOM 189 N VAL A 15 -1.730 -20.241 24.056 1.00 42.53 N ATOM 190 CA VAL A 15 -2.295 -21.583 24.128 1.00 0.43 C ATOM 191 C VAL A 15 -1.677 -22.378 25.273 1.00 51.03 C ATOM 192 O VAL A 15 -0.546 -22.133 25.692 1.00 1.13 O ATOM 193 CB VAL A 15 -2.085 -22.352 22.811 1.00 63.13 C ATOM 194 CG1 VAL A 15 -2.423 -21.471 21.618 1.00 61.03 C ATOM 195 CG2 VAL A 15 -0.656 -22.866 22.716 1.00 10.14 C ATOM 0 H VAL A 15 -0.821 -20.142 24.508 1.00 42.53 H new ATOM 0 HA VAL A 15 -3.364 -21.467 24.305 1.00 0.43 H new ATOM 0 HB VAL A 15 -2.757 -23.210 22.801 1.00 63.13 H new ATOM 0 HG11 VAL A 15 -2.268 -22.032 20.696 1.00 61.03 H new ATOM 0 HG12 VAL A 15 -3.465 -21.157 21.681 1.00 61.03 H new ATOM 0 HG13 VAL A 15 -1.778 -20.592 21.620 1.00 61.03 H new ATOM 0 HG21 VAL A 15 -0.526 -23.407 21.779 1.00 10.14 H new ATOM 0 HG22 VAL A 15 0.036 -22.025 22.749 1.00 10.14 H new ATOM 0 HG23 VAL A 15 -0.454 -23.535 23.552 1.00 10.14 H new ATOM 205 N PRO A 16 -2.436 -23.355 25.791 1.00 24.12 N ATOM 206 CA PRO A 16 -1.983 -24.208 26.894 1.00 22.01 C ATOM 207 C PRO A 16 -0.871 -25.162 26.471 1.00 50.25 C ATOM 208 O PRO A 16 -1.053 -25.985 25.573 1.00 41.41 O ATOM 209 CB PRO A 16 -3.241 -24.990 27.277 1.00 34.44 C ATOM 210 CG PRO A 16 -4.070 -25.006 26.039 1.00 3.52 C ATOM 211 CD PRO A 16 -3.794 -23.703 25.340 1.00 24.04 C ATOM 0 HA PRO A 16 -1.561 -23.625 27.713 1.00 22.01 H new ATOM 0 HB2 PRO A 16 -2.995 -26.001 27.602 1.00 34.44 H new ATOM 0 HB3 PRO A 16 -3.769 -24.511 28.101 1.00 34.44 H new ATOM 0 HG2 PRO A 16 -3.808 -25.853 25.404 1.00 3.52 H new ATOM 0 HG3 PRO A 16 -5.129 -25.104 26.279 1.00 3.52 H new ATOM 0 HD2 PRO A 16 -3.842 -23.810 24.256 1.00 24.04 H new ATOM 0 HD3 PRO A 16 -4.518 -22.937 25.617 1.00 24.04 H new ATOM 219 N LYS A 17 0.281 -25.047 27.122 1.00 1.23 N ATOM 220 CA LYS A 17 1.423 -25.900 26.815 1.00 0.11 C ATOM 221 C LYS A 17 1.025 -27.372 26.840 1.00 74.02 C ATOM 222 O LYS A 17 0.583 -27.903 27.859 1.00 72.42 O ATOM 223 CB LYS A 17 2.556 -25.650 27.814 1.00 75.24 C ATOM 224 CG LYS A 17 3.217 -24.292 27.657 1.00 55.25 C ATOM 225 CD LYS A 17 3.875 -23.839 28.949 1.00 65.42 C ATOM 226 CE LYS A 17 5.381 -24.049 28.910 1.00 45.14 C ATOM 227 NZ LYS A 17 5.849 -24.923 30.021 1.00 1.31 N ATOM 0 H LYS A 17 0.449 -24.370 27.867 1.00 1.23 H new ATOM 0 HA LYS A 17 1.770 -25.653 25.812 1.00 0.11 H new ATOM 0 HB2 LYS A 17 2.162 -25.738 28.827 1.00 75.24 H new ATOM 0 HB3 LYS A 17 3.311 -26.428 27.697 1.00 75.24 H new ATOM 0 HG2 LYS A 17 3.964 -24.339 26.865 1.00 55.25 H new ATOM 0 HG3 LYS A 17 2.473 -23.557 27.350 1.00 55.25 H new ATOM 0 HD2 LYS A 17 3.658 -22.784 29.119 1.00 65.42 H new ATOM 0 HD3 LYS A 17 3.451 -24.391 29.788 1.00 65.42 H new ATOM 0 HE2 LYS A 17 5.661 -24.494 27.955 1.00 45.14 H new ATOM 0 HE3 LYS A 17 5.884 -23.084 28.971 1.00 45.14 H new ATOM 0 HZ1 LYS A 17 6.880 -25.041 29.959 1.00 1.31 H new ATOM 0 HZ2 LYS A 17 5.605 -24.486 30.933 1.00 1.31 H new ATOM 0 HZ3 LYS A 17 5.389 -25.853 29.949 1.00 1.31 H new ATOM 241 N PRO A 18 1.185 -28.049 25.693 1.00 52.32 N ATOM 242 CA PRO A 18 0.850 -29.469 25.558 1.00 35.44 C ATOM 243 C PRO A 18 1.806 -30.367 26.336 1.00 43.13 C ATOM 244 O PRO A 18 2.783 -30.874 25.785 1.00 34.11 O ATOM 245 CB PRO A 18 0.980 -29.724 24.055 1.00 42.14 C ATOM 246 CG PRO A 18 1.940 -28.689 23.577 1.00 34.02 C ATOM 247 CD PRO A 18 1.706 -27.479 24.439 1.00 62.10 C ATOM 0 HA PRO A 18 -0.139 -29.694 25.958 1.00 35.44 H new ATOM 0 HB2 PRO A 18 1.350 -30.730 23.855 1.00 42.14 H new ATOM 0 HB3 PRO A 18 0.017 -29.633 23.553 1.00 42.14 H new ATOM 0 HG2 PRO A 18 2.968 -29.039 23.667 1.00 34.02 H new ATOM 0 HG3 PRO A 18 1.773 -28.457 22.525 1.00 34.02 H new ATOM 0 HD2 PRO A 18 2.627 -26.919 24.604 1.00 62.10 H new ATOM 0 HD3 PRO A 18 0.993 -26.792 23.983 1.00 62.10 H new ATOM 255 N GLY A 19 1.519 -30.559 27.620 1.00 70.44 N ATOM 256 CA GLY A 19 2.364 -31.396 28.451 1.00 34.44 C ATOM 257 C GLY A 19 2.190 -31.108 29.929 1.00 3.24 C ATOM 258 O GLY A 19 2.490 -31.952 30.774 1.00 61.24 O ATOM 0 H GLY A 19 0.717 -30.150 28.099 1.00 70.44 H new ATOM 0 HA2 GLY A 19 2.134 -32.444 28.259 1.00 34.44 H new ATOM 0 HA3 GLY A 19 3.407 -31.242 28.174 1.00 34.44 H new ATOM 262 N VAL A 20 1.706 -29.910 30.244 1.00 23.52 N ATOM 263 CA VAL A 20 1.494 -29.512 31.631 1.00 62.04 C ATOM 264 C VAL A 20 0.405 -30.355 32.284 1.00 22.32 C ATOM 265 O VAL A 20 -0.367 -31.028 31.601 1.00 12.14 O ATOM 266 CB VAL A 20 1.108 -28.025 31.734 1.00 0.43 C ATOM 267 CG1 VAL A 20 1.059 -27.586 33.190 1.00 52.32 C ATOM 268 CG2 VAL A 20 2.082 -27.165 30.942 1.00 30.34 C ATOM 0 H VAL A 20 1.454 -29.199 29.558 1.00 23.52 H new ATOM 0 HA VAL A 20 2.436 -29.673 32.155 1.00 62.04 H new ATOM 0 HB VAL A 20 0.114 -27.895 31.306 1.00 0.43 H new ATOM 0 HG11 VAL A 20 0.785 -26.532 33.243 1.00 52.32 H new ATOM 0 HG12 VAL A 20 0.319 -28.181 33.725 1.00 52.32 H new ATOM 0 HG13 VAL A 20 2.038 -27.729 33.646 1.00 52.32 H new ATOM 0 HG21 VAL A 20 1.794 -26.117 31.026 1.00 30.34 H new ATOM 0 HG22 VAL A 20 3.089 -27.297 31.338 1.00 30.34 H new ATOM 0 HG23 VAL A 20 2.062 -27.464 29.894 1.00 30.34 H new ATOM 278 N SER A 21 0.349 -30.314 33.612 1.00 40.14 N ATOM 279 CA SER A 21 -0.644 -31.077 34.359 1.00 62.02 C ATOM 280 C SER A 21 -2.053 -30.770 33.861 1.00 42.23 C ATOM 281 O SER A 21 -2.614 -29.717 34.163 1.00 11.42 O ATOM 282 CB SER A 21 -0.539 -30.765 35.853 1.00 54.32 C ATOM 283 OG SER A 21 0.518 -31.492 36.453 1.00 5.11 O ATOM 0 H SER A 21 0.980 -29.761 34.192 1.00 40.14 H new ATOM 0 HA SER A 21 -0.445 -32.137 34.202 1.00 62.02 H new ATOM 0 HB2 SER A 21 -0.375 -29.697 35.994 1.00 54.32 H new ATOM 0 HB3 SER A 21 -1.479 -31.011 36.346 1.00 54.32 H new ATOM 0 HG SER A 21 0.565 -31.274 37.407 1.00 5.11 H new ATOM 289 N ASP A 22 -2.618 -31.697 33.095 1.00 0.24 N ATOM 290 CA ASP A 22 -3.962 -31.527 32.555 1.00 21.12 C ATOM 291 C ASP A 22 -4.848 -30.762 33.533 1.00 0.21 C ATOM 292 O ASP A 22 -5.289 -29.649 33.246 1.00 4.43 O ATOM 293 CB ASP A 22 -4.584 -32.889 32.242 1.00 53.42 C ATOM 294 CG ASP A 22 -4.006 -33.515 30.988 1.00 24.15 C ATOM 295 OD1 ASP A 22 -2.996 -32.989 30.475 1.00 73.44 O ATOM 296 OD2 ASP A 22 -4.562 -34.531 30.521 1.00 54.31 O ATOM 0 H ASP A 22 -2.166 -32.574 32.834 1.00 0.24 H new ATOM 0 HA ASP A 22 -3.887 -30.950 31.633 1.00 21.12 H new ATOM 0 HB2 ASP A 22 -4.425 -33.560 33.086 1.00 53.42 H new ATOM 0 HB3 ASP A 22 -5.662 -32.775 32.124 1.00 53.42 H new ATOM 301 N ASP A 23 -5.106 -31.366 34.688 1.00 64.35 N ATOM 302 CA ASP A 23 -5.939 -30.742 35.708 1.00 13.12 C ATOM 303 C ASP A 23 -5.710 -29.234 35.750 1.00 61.42 C ATOM 304 O ASP A 23 -6.655 -28.457 35.879 1.00 72.12 O ATOM 305 CB ASP A 23 -5.647 -31.353 37.080 1.00 52.14 C ATOM 306 CG ASP A 23 -6.112 -32.792 37.183 1.00 22.20 C ATOM 307 OD1 ASP A 23 -7.339 -33.020 37.190 1.00 55.11 O ATOM 308 OD2 ASP A 23 -5.248 -33.691 37.258 1.00 23.11 O ATOM 0 H ASP A 23 -4.750 -32.288 34.941 1.00 64.35 H new ATOM 0 HA ASP A 23 -6.982 -30.926 35.452 1.00 13.12 H new ATOM 0 HB2 ASP A 23 -4.576 -31.305 37.275 1.00 52.14 H new ATOM 0 HB3 ASP A 23 -6.138 -30.759 37.851 1.00 52.14 H new ATOM 313 N GLN A 24 -4.449 -28.830 35.641 1.00 44.32 N ATOM 314 CA GLN A 24 -4.096 -27.415 35.668 1.00 64.21 C ATOM 315 C GLN A 24 -4.723 -26.675 34.491 1.00 3.01 C ATOM 316 O GLN A 24 -5.307 -25.604 34.658 1.00 11.41 O ATOM 317 CB GLN A 24 -2.576 -27.247 35.640 1.00 4.53 C ATOM 318 CG GLN A 24 -2.035 -26.413 36.791 1.00 61.10 C ATOM 319 CD GLN A 24 -1.876 -27.215 38.068 1.00 52.41 C ATOM 320 OE1 GLN A 24 -0.825 -27.805 38.317 1.00 3.25 O ATOM 321 NE2 GLN A 24 -2.922 -27.240 38.885 1.00 14.33 N ATOM 0 H GLN A 24 -3.655 -29.461 35.533 1.00 44.32 H new ATOM 0 HA GLN A 24 -4.485 -26.987 36.592 1.00 64.21 H new ATOM 0 HB2 GLN A 24 -2.109 -28.232 35.665 1.00 4.53 H new ATOM 0 HB3 GLN A 24 -2.287 -26.781 34.698 1.00 4.53 H new ATOM 0 HG2 GLN A 24 -1.070 -25.993 36.508 1.00 61.10 H new ATOM 0 HG3 GLN A 24 -2.707 -25.574 36.974 1.00 61.10 H new ATOM 0 HE21 GLN A 24 -3.774 -26.736 38.638 1.00 14.33 H new ATOM 0 HE22 GLN A 24 -2.874 -27.763 39.759 1.00 14.33 H new ATOM 330 N LEU A 25 -4.597 -27.252 33.301 1.00 34.22 N ATOM 331 CA LEU A 25 -5.152 -26.647 32.095 1.00 22.01 C ATOM 332 C LEU A 25 -6.676 -26.713 32.104 1.00 63.22 C ATOM 333 O LEU A 25 -7.350 -25.817 31.596 1.00 53.21 O ATOM 334 CB LEU A 25 -4.606 -27.350 30.851 1.00 75.30 C ATOM 335 CG LEU A 25 -3.087 -27.506 30.780 1.00 60.11 C ATOM 336 CD1 LEU A 25 -2.405 -26.518 31.713 1.00 22.02 C ATOM 337 CD2 LEU A 25 -2.681 -28.932 31.121 1.00 64.42 C ATOM 0 H LEU A 25 -4.116 -28.138 33.145 1.00 34.22 H new ATOM 0 HA LEU A 25 -4.853 -25.599 32.073 1.00 22.01 H new ATOM 0 HB2 LEU A 25 -5.056 -28.341 30.791 1.00 75.30 H new ATOM 0 HB3 LEU A 25 -4.936 -26.797 29.972 1.00 75.30 H new ATOM 0 HG LEU A 25 -2.766 -27.292 29.760 1.00 60.11 H new ATOM 0 HD11 LEU A 25 -1.324 -26.644 31.649 1.00 22.02 H new ATOM 0 HD12 LEU A 25 -2.670 -25.501 31.423 1.00 22.02 H new ATOM 0 HD13 LEU A 25 -2.731 -26.700 32.737 1.00 22.02 H new ATOM 0 HD21 LEU A 25 -1.596 -29.025 31.065 1.00 64.42 H new ATOM 0 HD22 LEU A 25 -3.015 -29.174 32.130 1.00 64.42 H new ATOM 0 HD23 LEU A 25 -3.141 -29.621 30.412 1.00 64.42 H new ATOM 349 N THR A 26 -7.213 -27.781 32.686 1.00 14.53 N ATOM 350 CA THR A 26 -8.657 -27.964 32.762 1.00 12.45 C ATOM 351 C THR A 26 -9.326 -26.780 33.452 1.00 21.03 C ATOM 352 O THR A 26 -10.438 -26.391 33.099 1.00 11.52 O ATOM 353 CB THR A 26 -9.021 -29.256 33.518 1.00 4.20 C ATOM 354 OG1 THR A 26 -8.103 -30.299 33.173 1.00 23.43 O ATOM 355 CG2 THR A 26 -10.440 -29.693 33.190 1.00 32.42 C ATOM 0 H THR A 26 -6.670 -28.532 33.111 1.00 14.53 H new ATOM 0 HA THR A 26 -9.020 -28.037 31.737 1.00 12.45 H new ATOM 0 HB THR A 26 -8.958 -29.056 34.588 1.00 4.20 H new ATOM 0 HG1 THR A 26 -8.339 -31.117 33.659 1.00 23.43 H new ATOM 0 HG21 THR A 26 -10.674 -30.607 33.735 1.00 32.42 H new ATOM 0 HG22 THR A 26 -11.139 -28.908 33.480 1.00 32.42 H new ATOM 0 HG23 THR A 26 -10.526 -29.877 32.119 1.00 32.42 H new ATOM 363 N GLY A 27 -8.640 -26.211 34.439 1.00 45.44 N ATOM 364 CA GLY A 27 -9.183 -25.076 35.162 1.00 73.10 C ATOM 365 C GLY A 27 -9.415 -23.875 34.267 1.00 54.01 C ATOM 366 O GLY A 27 -10.274 -23.040 34.548 1.00 5.43 O ATOM 0 H GLY A 27 -7.718 -26.516 34.751 1.00 45.44 H new ATOM 0 HA2 GLY A 27 -10.125 -25.364 35.630 1.00 73.10 H new ATOM 0 HA3 GLY A 27 -8.500 -24.800 35.965 1.00 73.10 H new ATOM 370 N ASN A 28 -8.647 -23.787 33.186 1.00 72.21 N ATOM 371 CA ASN A 28 -8.772 -22.678 32.248 1.00 50.34 C ATOM 372 C ASN A 28 -10.147 -22.676 31.587 1.00 71.33 C ATOM 373 O ASN A 28 -10.776 -21.628 31.442 1.00 40.44 O ATOM 374 CB ASN A 28 -7.680 -22.761 31.179 1.00 73.11 C ATOM 375 CG ASN A 28 -6.310 -23.028 31.772 1.00 51.43 C ATOM 376 OD1 ASN A 28 -6.062 -22.740 32.943 1.00 65.13 O ATOM 377 ND2 ASN A 28 -5.413 -23.580 30.963 1.00 0.41 N ATOM 0 H ASN A 28 -7.932 -24.470 32.938 1.00 72.21 H new ATOM 0 HA ASN A 28 -8.656 -21.749 32.806 1.00 50.34 H new ATOM 0 HB2 ASN A 28 -7.927 -23.552 30.472 1.00 73.11 H new ATOM 0 HB3 ASN A 28 -7.654 -21.828 30.617 1.00 73.11 H new ATOM 0 HD21 ASN A 28 -4.474 -23.782 31.305 1.00 0.41 H new ATOM 0 HD22 ASN A 28 -5.663 -23.802 29.999 1.00 0.41 H new ATOM 384 N ILE A 29 -10.607 -23.858 31.189 1.00 55.51 N ATOM 385 CA ILE A 29 -11.908 -23.993 30.545 1.00 13.53 C ATOM 386 C ILE A 29 -13.032 -23.562 31.482 1.00 72.42 C ATOM 387 O ILE A 29 -13.877 -22.745 31.119 1.00 33.32 O ATOM 388 CB ILE A 29 -12.162 -25.441 30.088 1.00 75.01 C ATOM 389 CG1 ILE A 29 -11.087 -25.881 29.092 1.00 12.40 C ATOM 390 CG2 ILE A 29 -13.547 -25.566 29.470 1.00 31.11 C ATOM 391 CD1 ILE A 29 -11.362 -27.228 28.462 1.00 41.13 C ATOM 0 H ILE A 29 -10.098 -24.735 31.301 1.00 55.51 H new ATOM 0 HA ILE A 29 -11.897 -23.342 29.671 1.00 13.53 H new ATOM 0 HB ILE A 29 -12.113 -26.095 30.959 1.00 75.01 H new ATOM 0 HG12 ILE A 29 -11.003 -25.131 28.305 1.00 12.40 H new ATOM 0 HG13 ILE A 29 -10.124 -25.917 29.601 1.00 12.40 H new ATOM 0 HG21 ILE A 29 -13.712 -26.595 29.152 1.00 31.11 H new ATOM 0 HG22 ILE A 29 -14.301 -25.289 30.207 1.00 31.11 H new ATOM 0 HG23 ILE A 29 -13.622 -24.903 28.608 1.00 31.11 H new ATOM 0 HD11 ILE A 29 -10.559 -27.475 27.767 1.00 41.13 H new ATOM 0 HD12 ILE A 29 -11.416 -27.989 29.240 1.00 41.13 H new ATOM 0 HD13 ILE A 29 -12.309 -27.191 27.924 1.00 41.13 H new ATOM 403 N ASN A 30 -13.034 -24.118 32.689 1.00 1.44 N ATOM 404 CA ASN A 30 -14.053 -23.791 33.680 1.00 55.54 C ATOM 405 C ASN A 30 -14.130 -22.283 33.904 1.00 73.42 C ATOM 406 O ASN A 30 -15.217 -21.706 33.947 1.00 60.21 O ATOM 407 CB ASN A 30 -13.756 -24.500 35.002 1.00 3.32 C ATOM 408 CG ASN A 30 -14.578 -25.761 35.180 1.00 71.43 C ATOM 409 OD1 ASN A 30 -15.736 -25.708 35.595 1.00 4.14 O ATOM 410 ND2 ASN A 30 -13.982 -26.905 34.865 1.00 63.34 N ATOM 0 H ASN A 30 -12.341 -24.797 33.005 1.00 1.44 H new ATOM 0 HA ASN A 30 -15.016 -24.134 33.301 1.00 55.54 H new ATOM 0 HB2 ASN A 30 -12.696 -24.751 35.046 1.00 3.32 H new ATOM 0 HB3 ASN A 30 -13.957 -23.819 35.829 1.00 3.32 H new ATOM 0 HD21 ASN A 30 -14.486 -27.786 34.963 1.00 63.34 H new ATOM 0 HD22 ASN A 30 -13.020 -26.902 34.525 1.00 63.34 H new ATOM 417 N TYR A 31 -12.970 -21.652 34.045 1.00 31.24 N ATOM 418 CA TYR A 31 -12.905 -20.212 34.267 1.00 73.51 C ATOM 419 C TYR A 31 -13.341 -19.449 33.020 1.00 73.21 C ATOM 420 O TYR A 31 -14.282 -18.657 33.061 1.00 71.02 O ATOM 421 CB TYR A 31 -11.486 -19.799 34.661 1.00 33.42 C ATOM 422 CG TYR A 31 -11.158 -18.363 34.323 1.00 42.23 C ATOM 423 CD1 TYR A 31 -11.683 -17.315 35.069 1.00 32.22 C ATOM 424 CD2 TYR A 31 -10.323 -18.053 33.256 1.00 11.02 C ATOM 425 CE1 TYR A 31 -11.386 -16.001 34.763 1.00 35.03 C ATOM 426 CE2 TYR A 31 -10.020 -16.742 32.944 1.00 3.00 C ATOM 427 CZ TYR A 31 -10.554 -15.720 33.700 1.00 1.42 C ATOM 428 OH TYR A 31 -10.255 -14.412 33.392 1.00 73.34 O ATOM 0 H TYR A 31 -12.062 -22.115 34.010 1.00 31.24 H new ATOM 0 HA TYR A 31 -13.587 -19.964 35.080 1.00 73.51 H new ATOM 0 HB2 TYR A 31 -11.357 -19.950 35.733 1.00 33.42 H new ATOM 0 HB3 TYR A 31 -10.773 -20.454 34.159 1.00 33.42 H new ATOM 0 HD1 TYR A 31 -12.335 -17.531 35.903 1.00 32.22 H new ATOM 0 HD2 TYR A 31 -9.904 -18.851 32.661 1.00 11.02 H new ATOM 0 HE1 TYR A 31 -11.803 -15.198 35.353 1.00 35.03 H new ATOM 0 HE2 TYR A 31 -9.368 -16.519 32.112 1.00 3.00 H new ATOM 0 HH TYR A 31 -10.276 -13.871 34.209 1.00 73.34 H new ATOM 438 N ALA A 32 -12.650 -19.695 31.912 1.00 42.01 N ATOM 439 CA ALA A 32 -12.966 -19.034 30.652 1.00 41.02 C ATOM 440 C ALA A 32 -14.454 -19.136 30.336 1.00 33.45 C ATOM 441 O ALA A 32 -15.092 -18.147 29.975 1.00 73.21 O ATOM 442 CB ALA A 32 -12.142 -19.632 29.521 1.00 75.31 C ATOM 0 H ALA A 32 -11.868 -20.347 31.861 1.00 42.01 H new ATOM 0 HA ALA A 32 -12.714 -17.978 30.751 1.00 41.02 H new ATOM 0 HB1 ALA A 32 -12.388 -19.129 28.586 1.00 75.31 H new ATOM 0 HB2 ALA A 32 -11.081 -19.501 29.735 1.00 75.31 H new ATOM 0 HB3 ALA A 32 -12.365 -20.695 29.431 1.00 75.31 H new ATOM 448 N CYS A 33 -15.002 -20.339 30.475 1.00 54.01 N ATOM 449 CA CYS A 33 -16.416 -20.572 30.204 1.00 42.42 C ATOM 450 C CYS A 33 -17.285 -19.558 30.942 1.00 53.32 C ATOM 451 O CYS A 33 -18.456 -19.372 30.612 1.00 54.25 O ATOM 452 CB CYS A 33 -16.808 -21.992 30.615 1.00 15.11 C ATOM 453 SG CYS A 33 -17.031 -23.137 29.216 1.00 50.44 S ATOM 0 H CYS A 33 -14.488 -21.168 30.774 1.00 54.01 H new ATOM 0 HA CYS A 33 -16.580 -20.453 29.133 1.00 42.42 H new ATOM 0 HB2 CYS A 33 -16.041 -22.391 31.279 1.00 15.11 H new ATOM 0 HB3 CYS A 33 -17.735 -21.950 31.188 1.00 15.11 H new ATOM 458 N SER A 34 -16.703 -18.905 31.943 1.00 52.34 N ATOM 459 CA SER A 34 -17.425 -17.912 32.730 1.00 31.21 C ATOM 460 C SER A 34 -17.321 -16.531 32.091 1.00 52.04 C ATOM 461 O SER A 34 -17.644 -15.521 32.715 1.00 11.02 O ATOM 462 CB SER A 34 -16.879 -17.868 34.158 1.00 4.24 C ATOM 463 OG SER A 34 -17.883 -17.472 35.077 1.00 42.24 O ATOM 0 H SER A 34 -15.734 -19.046 32.228 1.00 52.34 H new ATOM 0 HA SER A 34 -18.476 -18.201 32.758 1.00 31.21 H new ATOM 0 HB2 SER A 34 -16.496 -18.850 34.434 1.00 4.24 H new ATOM 0 HB3 SER A 34 -16.041 -17.173 34.209 1.00 4.24 H new ATOM 0 HG SER A 34 -17.509 -17.453 35.982 1.00 42.24 H new ATOM 469 N GLN A 35 -16.868 -16.497 30.841 1.00 13.25 N ATOM 470 CA GLN A 35 -16.721 -15.240 30.117 1.00 1.01 C ATOM 471 C GLN A 35 -17.919 -14.993 29.206 1.00 0.13 C ATOM 472 O GLN A 35 -18.469 -13.893 29.172 1.00 41.12 O ATOM 473 CB GLN A 35 -15.432 -15.250 29.293 1.00 72.00 C ATOM 474 CG GLN A 35 -14.829 -13.869 29.090 1.00 31.50 C ATOM 475 CD GLN A 35 -15.880 -12.781 29.001 1.00 52.32 C ATOM 476 OE1 GLN A 35 -16.503 -12.420 30.000 1.00 51.23 O ATOM 477 NE2 GLN A 35 -16.083 -12.250 27.800 1.00 32.54 N ATOM 0 H GLN A 35 -16.597 -17.325 30.310 1.00 13.25 H new ATOM 0 HA GLN A 35 -16.671 -14.433 30.847 1.00 1.01 H new ATOM 0 HB2 GLN A 35 -14.700 -15.888 29.787 1.00 72.00 H new ATOM 0 HB3 GLN A 35 -15.637 -15.695 28.319 1.00 72.00 H new ATOM 0 HG2 GLN A 35 -14.151 -13.648 29.915 1.00 31.50 H new ATOM 0 HG3 GLN A 35 -14.232 -13.868 28.178 1.00 31.50 H new ATOM 0 HE21 GLN A 35 -15.544 -12.579 26.999 1.00 32.54 H new ATOM 0 HE22 GLN A 35 -16.778 -11.513 27.679 1.00 32.54 H new ATOM 486 N GLY A 36 -18.318 -16.025 28.469 1.00 55.32 N ATOM 487 CA GLY A 36 -19.449 -15.899 27.567 1.00 4.42 C ATOM 488 C GLY A 36 -19.190 -16.544 26.220 1.00 14.11 C ATOM 489 O GLY A 36 -19.955 -17.403 25.779 1.00 1.23 O ATOM 0 H GLY A 36 -17.879 -16.946 28.480 1.00 55.32 H new ATOM 0 HA2 GLY A 36 -20.327 -16.357 28.023 1.00 4.42 H new ATOM 0 HA3 GLY A 36 -19.679 -14.843 27.423 1.00 4.42 H new ATOM 493 N ILE A 37 -18.112 -16.129 25.564 1.00 30.01 N ATOM 494 CA ILE A 37 -17.756 -16.672 24.259 1.00 32.42 C ATOM 495 C ILE A 37 -16.885 -17.916 24.400 1.00 4.45 C ATOM 496 O ILE A 37 -16.419 -18.476 23.408 1.00 31.00 O ATOM 497 CB ILE A 37 -17.012 -15.633 23.400 1.00 14.32 C ATOM 498 CG1 ILE A 37 -15.518 -15.644 23.727 1.00 23.31 C ATOM 499 CG2 ILE A 37 -17.598 -14.246 23.622 1.00 60.10 C ATOM 500 CD1 ILE A 37 -14.758 -14.483 23.125 1.00 55.14 C ATOM 0 H ILE A 37 -17.470 -15.418 25.915 1.00 30.01 H new ATOM 0 HA ILE A 37 -18.689 -16.939 23.764 1.00 32.42 H new ATOM 0 HB ILE A 37 -17.136 -15.896 22.349 1.00 14.32 H new ATOM 0 HG12 ILE A 37 -15.391 -15.628 24.810 1.00 23.31 H new ATOM 0 HG13 ILE A 37 -15.083 -16.577 23.369 1.00 23.31 H new ATOM 0 HG21 ILE A 37 -17.062 -13.522 23.008 1.00 60.10 H new ATOM 0 HG22 ILE A 37 -18.652 -14.248 23.344 1.00 60.10 H new ATOM 0 HG23 ILE A 37 -17.500 -13.974 24.673 1.00 60.10 H new ATOM 0 HD11 ILE A 37 -13.705 -14.556 23.399 1.00 55.14 H new ATOM 0 HD12 ILE A 37 -14.854 -14.509 22.040 1.00 55.14 H new ATOM 0 HD13 ILE A 37 -15.167 -13.546 23.503 1.00 55.14 H new ATOM 512 N ASP A 38 -16.669 -18.343 25.640 1.00 53.42 N ATOM 513 CA ASP A 38 -15.856 -19.522 25.912 1.00 61.02 C ATOM 514 C ASP A 38 -16.665 -20.799 25.706 1.00 24.10 C ATOM 515 O ASP A 38 -16.306 -21.649 24.890 1.00 12.11 O ATOM 516 CB ASP A 38 -15.310 -19.473 27.340 1.00 75.51 C ATOM 517 CG ASP A 38 -13.970 -18.771 27.424 1.00 2.30 C ATOM 518 OD1 ASP A 38 -12.954 -19.383 27.034 1.00 50.24 O ATOM 519 OD2 ASP A 38 -13.936 -17.609 27.881 1.00 13.21 O ATOM 0 H ASP A 38 -17.046 -17.890 26.472 1.00 53.42 H new ATOM 0 HA ASP A 38 -15.020 -19.526 25.212 1.00 61.02 H new ATOM 0 HB2 ASP A 38 -16.026 -18.960 27.982 1.00 75.51 H new ATOM 0 HB3 ASP A 38 -15.209 -20.489 27.722 1.00 75.51 H new ATOM 524 N CYS A 39 -17.757 -20.928 26.452 1.00 63.41 N ATOM 525 CA CYS A 39 -18.616 -22.102 26.353 1.00 11.23 C ATOM 526 C CYS A 39 -19.462 -22.051 25.085 1.00 75.25 C ATOM 527 O CYS A 39 -20.148 -21.064 24.822 1.00 35.32 O ATOM 528 CB CYS A 39 -19.524 -22.200 27.581 1.00 5.12 C ATOM 529 SG CYS A 39 -18.952 -23.391 28.835 1.00 23.31 S ATOM 0 H CYS A 39 -18.068 -20.234 27.132 1.00 63.41 H new ATOM 0 HA CYS A 39 -17.979 -22.985 26.309 1.00 11.23 H new ATOM 0 HB2 CYS A 39 -19.603 -21.215 28.041 1.00 5.12 H new ATOM 0 HB3 CYS A 39 -20.526 -22.482 27.257 1.00 5.12 H new ATOM 534 N GLY A 40 -19.408 -23.124 24.300 1.00 13.33 N ATOM 535 CA GLY A 40 -20.174 -23.182 23.069 1.00 40.41 C ATOM 536 C GLY A 40 -19.292 -23.313 21.843 1.00 2.22 C ATOM 537 O GLY A 40 -19.201 -24.376 21.228 1.00 2.44 O ATOM 0 H GLY A 40 -18.847 -23.953 24.495 1.00 13.33 H new ATOM 0 HA2 GLY A 40 -20.860 -24.028 23.111 1.00 40.41 H new ATOM 0 HA3 GLY A 40 -20.783 -22.282 22.981 1.00 40.41 H new ATOM 541 N PRO A 41 -18.623 -22.212 21.470 1.00 1.31 N ATOM 542 CA PRO A 41 -17.733 -22.183 20.306 1.00 44.31 C ATOM 543 C PRO A 41 -16.463 -22.998 20.527 1.00 40.14 C ATOM 544 O PRO A 41 -15.577 -23.027 19.672 1.00 5.25 O ATOM 545 CB PRO A 41 -17.395 -20.697 20.155 1.00 62.45 C ATOM 546 CG PRO A 41 -17.568 -20.128 21.520 1.00 21.54 C ATOM 547 CD PRO A 41 -18.684 -20.910 22.156 1.00 20.23 C ATOM 0 HA PRO A 41 -18.201 -22.620 19.424 1.00 44.31 H new ATOM 0 HB2 PRO A 41 -16.376 -20.558 19.794 1.00 62.45 H new ATOM 0 HB3 PRO A 41 -18.056 -20.212 19.437 1.00 62.45 H new ATOM 0 HG2 PRO A 41 -16.649 -20.218 22.099 1.00 21.54 H new ATOM 0 HG3 PRO A 41 -17.813 -19.067 21.472 1.00 21.54 H new ATOM 0 HD2 PRO A 41 -18.539 -21.015 23.231 1.00 20.23 H new ATOM 0 HD3 PRO A 41 -19.649 -20.424 22.011 1.00 20.23 H new ATOM 555 N ILE A 42 -16.382 -23.659 21.676 1.00 13.04 N ATOM 556 CA ILE A 42 -15.221 -24.476 22.008 1.00 54.24 C ATOM 557 C ILE A 42 -15.329 -25.863 21.382 1.00 4.54 C ATOM 558 O ILE A 42 -14.638 -26.794 21.794 1.00 31.23 O ATOM 559 CB ILE A 42 -15.053 -24.623 23.531 1.00 31.53 C ATOM 560 CG1 ILE A 42 -16.393 -24.971 24.183 1.00 31.20 C ATOM 561 CG2 ILE A 42 -14.484 -23.345 24.128 1.00 42.13 C ATOM 562 CD1 ILE A 42 -16.271 -25.380 25.634 1.00 31.22 C ATOM 0 H ILE A 42 -17.107 -23.645 22.394 1.00 13.04 H new ATOM 0 HA ILE A 42 -14.348 -23.964 21.603 1.00 54.24 H new ATOM 0 HB ILE A 42 -14.353 -25.435 23.727 1.00 31.53 H new ATOM 0 HG12 ILE A 42 -17.057 -24.110 24.111 1.00 31.20 H new ATOM 0 HG13 ILE A 42 -16.860 -25.781 23.624 1.00 31.20 H new ATOM 0 HG21 ILE A 42 -14.371 -23.465 25.205 1.00 42.13 H new ATOM 0 HG22 ILE A 42 -13.511 -23.137 23.682 1.00 42.13 H new ATOM 0 HG23 ILE A 42 -15.161 -22.515 23.924 1.00 42.13 H new ATOM 0 HD11 ILE A 42 -17.259 -25.612 26.031 1.00 31.22 H new ATOM 0 HD12 ILE A 42 -15.633 -26.260 25.711 1.00 31.22 H new ATOM 0 HD13 ILE A 42 -15.833 -24.563 26.207 1.00 31.22 H new ATOM 574 N GLN A 43 -16.198 -25.990 20.385 1.00 63.40 N ATOM 575 CA GLN A 43 -16.394 -27.264 19.702 1.00 10.31 C ATOM 576 C GLN A 43 -15.300 -27.500 18.666 1.00 53.12 C ATOM 577 O GLN A 43 -14.934 -26.609 17.899 1.00 14.54 O ATOM 578 CB GLN A 43 -17.767 -27.299 19.029 1.00 52.01 C ATOM 579 CG GLN A 43 -18.923 -27.406 20.010 1.00 32.02 C ATOM 580 CD GLN A 43 -20.204 -27.883 19.354 1.00 64.42 C ATOM 581 OE1 GLN A 43 -20.748 -28.928 19.714 1.00 2.42 O ATOM 582 NE2 GLN A 43 -20.693 -27.119 18.384 1.00 24.31 N ATOM 0 H GLN A 43 -16.777 -25.228 20.032 1.00 63.40 H new ATOM 0 HA GLN A 43 -16.341 -28.059 20.446 1.00 10.31 H new ATOM 0 HB2 GLN A 43 -17.892 -26.397 18.430 1.00 52.01 H new ATOM 0 HB3 GLN A 43 -17.804 -28.145 18.343 1.00 52.01 H new ATOM 0 HG2 GLN A 43 -18.652 -28.094 20.811 1.00 32.02 H new ATOM 0 HG3 GLN A 43 -19.095 -26.433 20.470 1.00 32.02 H new ATOM 0 HE21 GLN A 43 -20.210 -26.261 18.118 1.00 24.31 H new ATOM 0 HE22 GLN A 43 -21.552 -27.390 17.905 1.00 24.31 H new ATOM 591 N PRO A 44 -14.764 -28.729 18.640 1.00 34.21 N ATOM 592 CA PRO A 44 -13.705 -29.111 17.702 1.00 23.31 C ATOM 593 C PRO A 44 -14.205 -29.193 16.264 1.00 71.00 C ATOM 594 O PRO A 44 -15.393 -29.014 15.999 1.00 50.23 O ATOM 595 CB PRO A 44 -13.274 -30.494 18.198 1.00 61.13 C ATOM 596 CG PRO A 44 -14.468 -31.030 18.909 1.00 22.33 C ATOM 597 CD PRO A 44 -15.152 -29.841 19.524 1.00 11.04 C ATOM 0 HA PRO A 44 -12.897 -28.380 17.680 1.00 23.31 H new ATOM 0 HB2 PRO A 44 -12.984 -31.139 17.369 1.00 61.13 H new ATOM 0 HB3 PRO A 44 -12.414 -30.425 18.864 1.00 61.13 H new ATOM 0 HG2 PRO A 44 -15.133 -31.549 18.219 1.00 22.33 H new ATOM 0 HG3 PRO A 44 -14.176 -31.751 19.673 1.00 22.33 H new ATOM 0 HD2 PRO A 44 -16.234 -29.971 19.555 1.00 11.04 H new ATOM 0 HD3 PRO A 44 -14.822 -29.673 20.549 1.00 11.04 H new ATOM 605 N GLY A 45 -13.290 -29.465 15.338 1.00 34.42 N ATOM 606 CA GLY A 45 -13.659 -29.566 13.938 1.00 30.32 C ATOM 607 C GLY A 45 -13.510 -30.975 13.400 1.00 71.44 C ATOM 608 O GLY A 45 -14.298 -31.414 12.563 1.00 35.44 O ATOM 0 H GLY A 45 -12.300 -29.617 15.532 1.00 34.42 H new ATOM 0 HA2 GLY A 45 -14.692 -29.240 13.813 1.00 30.32 H new ATOM 0 HA3 GLY A 45 -13.038 -28.889 13.352 1.00 30.32 H new ATOM 612 N GLY A 46 -12.494 -31.686 13.879 1.00 20.50 N ATOM 613 CA GLY A 46 -12.262 -33.046 13.428 1.00 44.04 C ATOM 614 C GLY A 46 -10.942 -33.197 12.697 1.00 53.34 C ATOM 615 O GLY A 46 -10.365 -34.283 12.662 1.00 41.12 O ATOM 0 H GLY A 46 -11.827 -31.345 14.571 1.00 20.50 H new ATOM 0 HA2 GLY A 46 -12.278 -33.718 14.286 1.00 44.04 H new ATOM 0 HA3 GLY A 46 -13.075 -33.351 12.770 1.00 44.04 H new ATOM 619 N ALA A 47 -10.465 -32.104 12.110 1.00 63.24 N ATOM 620 CA ALA A 47 -9.205 -32.120 11.376 1.00 12.31 C ATOM 621 C ALA A 47 -8.048 -32.532 12.280 1.00 14.42 C ATOM 622 O ALA A 47 -7.470 -33.606 12.115 1.00 31.21 O ATOM 623 CB ALA A 47 -8.936 -30.755 10.760 1.00 11.55 C ATOM 0 H ALA A 47 -10.931 -31.197 12.128 1.00 63.24 H new ATOM 0 HA ALA A 47 -9.288 -32.857 10.577 1.00 12.31 H new ATOM 0 HB1 ALA A 47 -7.992 -30.781 10.215 1.00 11.55 H new ATOM 0 HB2 ALA A 47 -9.744 -30.500 10.074 1.00 11.55 H new ATOM 0 HB3 ALA A 47 -8.879 -30.005 11.549 1.00 11.55 H new ATOM 629 N CYS A 48 -7.715 -31.671 13.236 1.00 42.32 N ATOM 630 CA CYS A 48 -6.626 -31.944 14.166 1.00 11.10 C ATOM 631 C CYS A 48 -7.167 -32.283 15.552 1.00 30.01 C ATOM 632 O CYS A 48 -6.420 -32.704 16.436 1.00 74.22 O ATOM 633 CB CYS A 48 -5.688 -30.739 14.254 1.00 44.24 C ATOM 634 SG CYS A 48 -4.016 -31.049 13.598 1.00 13.34 S ATOM 0 H CYS A 48 -8.184 -30.778 13.387 1.00 42.32 H new ATOM 0 HA CYS A 48 -6.069 -32.803 13.792 1.00 11.10 H new ATOM 0 HB2 CYS A 48 -6.132 -29.906 13.709 1.00 44.24 H new ATOM 0 HB3 CYS A 48 -5.606 -30.431 15.296 1.00 44.24 H new ATOM 639 N PHE A 49 -8.470 -32.097 15.734 1.00 11.54 N ATOM 640 CA PHE A 49 -9.112 -32.382 17.013 1.00 43.35 C ATOM 641 C PHE A 49 -8.507 -33.624 17.659 1.00 31.53 C ATOM 642 O PHE A 49 -8.160 -33.615 18.840 1.00 75.52 O ATOM 643 CB PHE A 49 -10.617 -32.574 16.820 1.00 73.53 C ATOM 644 CG PHE A 49 -11.235 -33.509 17.820 1.00 10.24 C ATOM 645 CD1 PHE A 49 -11.577 -33.062 19.087 1.00 45.54 C ATOM 646 CD2 PHE A 49 -11.475 -34.834 17.495 1.00 43.02 C ATOM 647 CE1 PHE A 49 -12.144 -33.919 20.009 1.00 33.45 C ATOM 648 CE2 PHE A 49 -12.043 -35.697 18.413 1.00 3.55 C ATOM 649 CZ PHE A 49 -12.379 -35.238 19.672 1.00 22.22 C ATOM 0 H PHE A 49 -9.102 -31.750 15.013 1.00 11.54 H new ATOM 0 HA PHE A 49 -8.944 -31.532 17.674 1.00 43.35 H new ATOM 0 HB2 PHE A 49 -11.111 -31.604 16.888 1.00 73.53 H new ATOM 0 HB3 PHE A 49 -10.801 -32.956 15.816 1.00 73.53 H new ATOM 0 HD1 PHE A 49 -11.398 -32.031 19.356 1.00 45.54 H new ATOM 0 HD2 PHE A 49 -11.215 -35.197 16.512 1.00 43.02 H new ATOM 0 HE1 PHE A 49 -12.404 -33.558 20.993 1.00 33.45 H new ATOM 0 HE2 PHE A 49 -12.224 -36.728 18.147 1.00 3.55 H new ATOM 0 HZ PHE A 49 -12.825 -35.909 20.391 1.00 22.22 H new ATOM 659 N GLU A 50 -8.385 -34.692 16.876 1.00 0.13 N ATOM 660 CA GLU A 50 -7.824 -35.943 17.373 1.00 2.31 C ATOM 661 C GLU A 50 -6.352 -36.068 16.991 1.00 22.31 C ATOM 662 O GLU A 50 -5.974 -35.943 15.826 1.00 21.50 O ATOM 663 CB GLU A 50 -8.609 -37.134 16.821 1.00 22.51 C ATOM 664 CG GLU A 50 -9.359 -37.916 17.887 1.00 2.40 C ATOM 665 CD GLU A 50 -9.177 -39.415 17.748 1.00 5.44 C ATOM 666 OE1 GLU A 50 -9.966 -40.043 17.014 1.00 74.52 O ATOM 667 OE2 GLU A 50 -8.243 -39.958 18.375 1.00 20.40 O ATOM 0 H GLU A 50 -8.667 -34.716 15.896 1.00 0.13 H new ATOM 0 HA GLU A 50 -7.900 -35.940 18.460 1.00 2.31 H new ATOM 0 HB2 GLU A 50 -9.321 -36.776 16.077 1.00 22.51 H new ATOM 0 HB3 GLU A 50 -7.921 -37.805 16.307 1.00 22.51 H new ATOM 0 HG2 GLU A 50 -9.015 -37.602 18.872 1.00 2.40 H new ATOM 0 HG3 GLU A 50 -10.421 -37.676 17.829 1.00 2.40 H new ATOM 674 N PRO A 51 -5.500 -36.321 17.996 1.00 43.13 N ATOM 675 CA PRO A 51 -5.938 -36.471 19.387 1.00 41.15 C ATOM 676 C PRO A 51 -6.413 -35.154 19.990 1.00 3.51 C ATOM 677 O PRO A 51 -5.916 -34.084 19.639 1.00 61.44 O ATOM 678 CB PRO A 51 -4.679 -36.965 20.104 1.00 50.22 C ATOM 679 CG PRO A 51 -3.549 -36.466 19.271 1.00 24.14 C ATOM 680 CD PRO A 51 -4.043 -36.479 17.851 1.00 2.13 C ATOM 0 HA PRO A 51 -6.788 -37.147 19.476 1.00 41.15 H new ATOM 0 HB2 PRO A 51 -4.624 -36.576 21.121 1.00 50.22 H new ATOM 0 HB3 PRO A 51 -4.666 -38.052 20.178 1.00 50.22 H new ATOM 0 HG2 PRO A 51 -3.256 -35.460 19.573 1.00 24.14 H new ATOM 0 HG3 PRO A 51 -2.671 -37.101 19.384 1.00 24.14 H new ATOM 0 HD2 PRO A 51 -3.607 -35.669 17.266 1.00 2.13 H new ATOM 0 HD3 PRO A 51 -3.788 -37.410 17.345 1.00 2.13 H new ATOM 688 N ASN A 52 -7.377 -35.239 20.901 1.00 40.42 N ATOM 689 CA ASN A 52 -7.919 -34.052 21.553 1.00 22.23 C ATOM 690 C ASN A 52 -7.367 -33.910 22.968 1.00 1.25 C ATOM 691 O ASN A 52 -7.041 -34.901 23.623 1.00 14.22 O ATOM 692 CB ASN A 52 -9.447 -34.120 21.594 1.00 22.01 C ATOM 693 CG ASN A 52 -10.078 -32.771 21.879 1.00 10.11 C ATOM 694 OD1 ASN A 52 -10.856 -32.624 22.822 1.00 53.03 O ATOM 695 ND2 ASN A 52 -9.745 -31.778 21.063 1.00 3.31 N ATOM 0 H ASN A 52 -7.799 -36.117 21.204 1.00 40.42 H new ATOM 0 HA ASN A 52 -7.616 -33.179 20.974 1.00 22.23 H new ATOM 0 HB2 ASN A 52 -9.817 -34.497 20.641 1.00 22.01 H new ATOM 0 HB3 ASN A 52 -9.756 -34.832 22.360 1.00 22.01 H new ATOM 0 HD21 ASN A 52 -10.138 -30.848 21.205 1.00 3.31 H new ATOM 0 HD22 ASN A 52 -9.096 -31.946 20.294 1.00 3.31 H new ATOM 702 N THR A 53 -7.265 -32.669 23.436 1.00 25.40 N ATOM 703 CA THR A 53 -6.752 -32.396 24.773 1.00 60.33 C ATOM 704 C THR A 53 -7.874 -31.984 25.718 1.00 13.22 C ATOM 705 O THR A 53 -8.969 -31.628 25.281 1.00 22.20 O ATOM 706 CB THR A 53 -5.683 -31.288 24.749 1.00 43.23 C ATOM 707 OG1 THR A 53 -6.295 -30.022 24.477 1.00 71.32 O ATOM 708 CG2 THR A 53 -4.623 -31.581 23.697 1.00 12.42 C ATOM 0 H THR A 53 -7.531 -31.837 22.909 1.00 25.40 H new ATOM 0 HA THR A 53 -6.299 -33.320 25.133 1.00 60.33 H new ATOM 0 HB THR A 53 -5.203 -31.256 25.727 1.00 43.23 H new ATOM 0 HG1 THR A 53 -5.648 -29.434 24.034 1.00 71.32 H new ATOM 0 HG21 THR A 53 -3.879 -30.785 23.699 1.00 12.42 H new ATOM 0 HG22 THR A 53 -4.139 -32.531 23.923 1.00 12.42 H new ATOM 0 HG23 THR A 53 -5.091 -31.638 22.714 1.00 12.42 H new ATOM 716 N VAL A 54 -7.596 -32.033 27.017 1.00 4.21 N ATOM 717 CA VAL A 54 -8.582 -31.662 28.025 1.00 23.10 C ATOM 718 C VAL A 54 -8.922 -30.178 27.941 1.00 32.42 C ATOM 719 O VAL A 54 -10.084 -29.805 27.778 1.00 41.30 O ATOM 720 CB VAL A 54 -8.080 -31.983 29.446 1.00 52.05 C ATOM 721 CG1 VAL A 54 -9.163 -31.692 30.473 1.00 53.51 C ATOM 722 CG2 VAL A 54 -7.625 -33.432 29.535 1.00 51.22 C ATOM 0 H VAL A 54 -6.696 -32.326 27.396 1.00 4.21 H new ATOM 0 HA VAL A 54 -9.478 -32.249 27.823 1.00 23.10 H new ATOM 0 HB VAL A 54 -7.225 -31.343 29.664 1.00 52.05 H new ATOM 0 HG11 VAL A 54 -8.790 -31.925 31.471 1.00 53.51 H new ATOM 0 HG12 VAL A 54 -9.437 -30.638 30.425 1.00 53.51 H new ATOM 0 HG13 VAL A 54 -10.039 -32.304 30.261 1.00 53.51 H new ATOM 0 HG21 VAL A 54 -7.274 -33.642 30.545 1.00 51.22 H new ATOM 0 HG22 VAL A 54 -8.460 -34.091 29.297 1.00 51.22 H new ATOM 0 HG23 VAL A 54 -6.815 -33.603 28.826 1.00 51.22 H new ATOM 732 N LYS A 55 -7.901 -29.336 28.053 1.00 13.55 N ATOM 733 CA LYS A 55 -8.090 -27.891 27.989 1.00 73.22 C ATOM 734 C LYS A 55 -8.208 -27.422 26.542 1.00 34.21 C ATOM 735 O LYS A 55 -8.069 -26.235 26.252 1.00 50.44 O ATOM 736 CB LYS A 55 -6.927 -27.173 28.676 1.00 43.44 C ATOM 737 CG LYS A 55 -5.745 -26.912 27.757 1.00 33.52 C ATOM 738 CD LYS A 55 -4.799 -28.101 27.715 1.00 14.11 C ATOM 739 CE LYS A 55 -4.341 -28.399 26.296 1.00 52.44 C ATOM 740 NZ LYS A 55 -2.858 -28.496 26.200 1.00 33.24 N ATOM 0 H LYS A 55 -6.933 -29.629 28.189 1.00 13.55 H new ATOM 0 HA LYS A 55 -9.017 -27.647 28.508 1.00 73.22 H new ATOM 0 HB2 LYS A 55 -7.282 -26.223 29.076 1.00 43.44 H new ATOM 0 HB3 LYS A 55 -6.592 -27.770 29.524 1.00 43.44 H new ATOM 0 HG2 LYS A 55 -6.105 -26.697 26.751 1.00 33.52 H new ATOM 0 HG3 LYS A 55 -5.206 -26.028 28.098 1.00 33.52 H new ATOM 0 HD2 LYS A 55 -3.932 -27.900 28.344 1.00 14.11 H new ATOM 0 HD3 LYS A 55 -5.296 -28.978 28.130 1.00 14.11 H new ATOM 0 HE2 LYS A 55 -4.789 -29.334 25.959 1.00 52.44 H new ATOM 0 HE3 LYS A 55 -4.698 -27.616 25.627 1.00 52.44 H new ATOM 0 HZ1 LYS A 55 -2.602 -29.156 25.438 1.00 33.24 H new ATOM 0 HZ2 LYS A 55 -2.461 -27.557 25.992 1.00 33.24 H new ATOM 0 HZ3 LYS A 55 -2.474 -28.842 27.102 1.00 33.24 H new ATOM 754 N ALA A 56 -8.467 -28.362 25.639 1.00 34.53 N ATOM 755 CA ALA A 56 -8.608 -28.044 24.224 1.00 61.32 C ATOM 756 C ALA A 56 -9.598 -26.904 24.013 1.00 71.00 C ATOM 757 O ALA A 56 -9.318 -25.952 23.283 1.00 34.24 O ATOM 758 CB ALA A 56 -9.046 -29.277 23.447 1.00 50.12 C ATOM 0 H ALA A 56 -8.583 -29.350 25.863 1.00 34.53 H new ATOM 0 HA ALA A 56 -7.636 -27.719 23.852 1.00 61.32 H new ATOM 0 HB1 ALA A 56 -9.147 -29.025 22.391 1.00 50.12 H new ATOM 0 HB2 ALA A 56 -8.300 -30.064 23.562 1.00 50.12 H new ATOM 0 HB3 ALA A 56 -10.005 -29.627 23.830 1.00 50.12 H new ATOM 764 N HIS A 57 -10.757 -27.007 24.656 1.00 53.44 N ATOM 765 CA HIS A 57 -11.790 -25.983 24.538 1.00 62.00 C ATOM 766 C HIS A 57 -11.188 -24.587 24.669 1.00 33.04 C ATOM 767 O HIS A 57 -11.305 -23.763 23.763 1.00 15.55 O ATOM 768 CB HIS A 57 -12.866 -26.190 25.604 1.00 52.31 C ATOM 769 CG HIS A 57 -13.590 -27.495 25.479 1.00 22.13 C ATOM 770 ND1 HIS A 57 -13.306 -28.591 26.266 1.00 22.23 N ATOM 771 CD2 HIS A 57 -14.593 -27.876 24.654 1.00 65.22 C ATOM 772 CE1 HIS A 57 -14.101 -29.590 25.929 1.00 33.52 C ATOM 773 NE2 HIS A 57 -14.892 -29.182 24.953 1.00 32.51 N ATOM 0 H HIS A 57 -11.004 -27.788 25.263 1.00 53.44 H new ATOM 0 HA HIS A 57 -12.245 -26.072 23.552 1.00 62.00 H new ATOM 0 HB2 HIS A 57 -12.405 -26.133 26.590 1.00 52.31 H new ATOM 0 HB3 HIS A 57 -13.588 -25.376 25.542 1.00 52.31 H new ATOM 0 HD2 HIS A 57 -15.069 -27.266 23.901 1.00 65.22 H new ATOM 0 HE1 HIS A 57 -14.104 -30.573 26.375 1.00 33.52 H new ATOM 0 HE2 HIS A 57 -15.609 -29.746 24.496 1.00 32.51 H new ATOM 781 N ALA A 58 -10.545 -24.329 25.804 1.00 73.44 N ATOM 782 CA ALA A 58 -9.925 -23.034 26.053 1.00 62.23 C ATOM 783 C ALA A 58 -9.015 -22.630 24.898 1.00 61.14 C ATOM 784 O ALA A 58 -8.963 -21.461 24.516 1.00 71.55 O ATOM 785 CB ALA A 58 -9.142 -23.066 27.357 1.00 14.02 C ATOM 0 H ALA A 58 -10.440 -25.000 26.565 1.00 73.44 H new ATOM 0 HA ALA A 58 -10.717 -22.290 26.135 1.00 62.23 H new ATOM 0 HB1 ALA A 58 -8.684 -22.092 27.530 1.00 14.02 H new ATOM 0 HB2 ALA A 58 -9.816 -23.302 28.180 1.00 14.02 H new ATOM 0 HB3 ALA A 58 -8.364 -23.827 27.296 1.00 14.02 H new ATOM 791 N ALA A 59 -8.299 -23.604 24.346 1.00 25.21 N ATOM 792 CA ALA A 59 -7.392 -23.350 23.234 1.00 44.42 C ATOM 793 C ALA A 59 -8.123 -22.693 22.068 1.00 74.20 C ATOM 794 O ALA A 59 -7.596 -21.787 21.423 1.00 52.32 O ATOM 795 CB ALA A 59 -6.732 -24.645 22.784 1.00 50.45 C ATOM 0 H ALA A 59 -8.330 -24.577 24.651 1.00 25.21 H new ATOM 0 HA ALA A 59 -6.619 -22.662 23.578 1.00 44.42 H new ATOM 0 HB1 ALA A 59 -6.057 -24.440 21.953 1.00 50.45 H new ATOM 0 HB2 ALA A 59 -6.167 -25.073 23.613 1.00 50.45 H new ATOM 0 HB3 ALA A 59 -7.498 -25.351 22.464 1.00 50.45 H new ATOM 801 N TYR A 60 -9.340 -23.157 21.803 1.00 45.12 N ATOM 802 CA TYR A 60 -10.142 -22.617 20.712 1.00 14.31 C ATOM 803 C TYR A 60 -10.571 -21.183 21.009 1.00 3.12 C ATOM 804 O TYR A 60 -10.185 -20.249 20.306 1.00 52.11 O ATOM 805 CB TYR A 60 -11.375 -23.491 20.477 1.00 15.22 C ATOM 806 CG TYR A 60 -12.300 -22.959 19.405 1.00 4.32 C ATOM 807 CD1 TYR A 60 -13.097 -21.845 19.637 1.00 4.45 C ATOM 808 CD2 TYR A 60 -12.375 -23.570 18.160 1.00 41.25 C ATOM 809 CE1 TYR A 60 -13.943 -21.356 18.661 1.00 2.32 C ATOM 810 CE2 TYR A 60 -13.217 -23.087 17.177 1.00 52.12 C ATOM 811 CZ TYR A 60 -13.999 -21.980 17.433 1.00 74.04 C ATOM 812 OH TYR A 60 -14.840 -21.495 16.457 1.00 71.21 O ATOM 0 H TYR A 60 -9.792 -23.905 22.329 1.00 45.12 H new ATOM 0 HA TYR A 60 -9.529 -22.615 19.811 1.00 14.31 H new ATOM 0 HB2 TYR A 60 -11.051 -24.494 20.200 1.00 15.22 H new ATOM 0 HB3 TYR A 60 -11.929 -23.581 21.411 1.00 15.22 H new ATOM 0 HD1 TYR A 60 -13.054 -21.353 20.597 1.00 4.45 H new ATOM 0 HD2 TYR A 60 -11.765 -24.438 17.957 1.00 41.25 H new ATOM 0 HE1 TYR A 60 -14.557 -20.490 18.859 1.00 2.32 H new ATOM 0 HE2 TYR A 60 -13.263 -23.573 16.214 1.00 52.12 H new ATOM 0 HH TYR A 60 -14.759 -22.047 15.651 1.00 71.21 H new ATOM 822 N VAL A 61 -11.371 -21.016 22.058 1.00 62.45 N ATOM 823 CA VAL A 61 -11.851 -19.697 22.451 1.00 73.13 C ATOM 824 C VAL A 61 -10.691 -18.733 22.670 1.00 52.43 C ATOM 825 O VAL A 61 -10.806 -17.537 22.404 1.00 55.34 O ATOM 826 CB VAL A 61 -12.696 -19.768 23.737 1.00 43.32 C ATOM 827 CG1 VAL A 61 -11.881 -20.354 24.880 1.00 43.15 C ATOM 828 CG2 VAL A 61 -13.226 -18.389 24.102 1.00 72.43 C ATOM 0 H VAL A 61 -11.700 -21.778 22.651 1.00 62.45 H new ATOM 0 HA VAL A 61 -12.474 -19.331 21.635 1.00 73.13 H new ATOM 0 HB VAL A 61 -13.547 -20.424 23.556 1.00 43.32 H new ATOM 0 HG11 VAL A 61 -12.494 -20.396 25.780 1.00 43.15 H new ATOM 0 HG12 VAL A 61 -11.555 -21.360 24.616 1.00 43.15 H new ATOM 0 HG13 VAL A 61 -11.009 -19.726 25.064 1.00 43.15 H new ATOM 0 HG21 VAL A 61 -13.821 -18.457 25.013 1.00 72.43 H new ATOM 0 HG22 VAL A 61 -12.390 -17.709 24.265 1.00 72.43 H new ATOM 0 HG23 VAL A 61 -13.848 -18.012 23.290 1.00 72.43 H new ATOM 838 N MET A 62 -9.573 -19.261 23.156 1.00 31.32 N ATOM 839 CA MET A 62 -8.390 -18.447 23.409 1.00 12.25 C ATOM 840 C MET A 62 -8.102 -17.525 22.229 1.00 51.21 C ATOM 841 O MET A 62 -7.552 -16.437 22.399 1.00 75.43 O ATOM 842 CB MET A 62 -7.178 -19.340 23.682 1.00 74.03 C ATOM 843 CG MET A 62 -7.033 -19.738 25.141 1.00 24.34 C ATOM 844 SD MET A 62 -5.906 -18.660 26.047 1.00 55.44 S ATOM 845 CE MET A 62 -7.014 -17.333 26.518 1.00 21.21 C ATOM 0 H MET A 62 -9.461 -20.249 23.383 1.00 31.32 H new ATOM 0 HA MET A 62 -8.584 -17.833 24.288 1.00 12.25 H new ATOM 0 HB2 MET A 62 -7.257 -20.241 23.074 1.00 74.03 H new ATOM 0 HB3 MET A 62 -6.275 -18.819 23.364 1.00 74.03 H new ATOM 0 HG2 MET A 62 -8.013 -19.716 25.618 1.00 24.34 H new ATOM 0 HG3 MET A 62 -6.673 -20.765 25.199 1.00 24.34 H new ATOM 0 HE1 MET A 62 -6.801 -17.028 27.542 1.00 21.21 H new ATOM 0 HE2 MET A 62 -6.870 -16.484 25.849 1.00 21.21 H new ATOM 0 HE3 MET A 62 -8.045 -17.679 26.449 1.00 21.21 H new ATOM 855 N ASN A 63 -8.477 -17.967 21.033 1.00 64.31 N ATOM 856 CA ASN A 63 -8.257 -17.182 19.824 1.00 12.51 C ATOM 857 C ASN A 63 -9.061 -15.886 19.864 1.00 14.32 C ATOM 858 O ASN A 63 -8.496 -14.792 19.909 1.00 21.22 O ATOM 859 CB ASN A 63 -8.640 -17.995 18.586 1.00 52.52 C ATOM 860 CG ASN A 63 -8.681 -17.148 17.328 1.00 11.13 C ATOM 861 OD1 ASN A 63 -9.740 -16.955 16.730 1.00 21.53 O ATOM 862 ND2 ASN A 63 -7.525 -16.638 16.921 1.00 43.41 N ATOM 0 H ASN A 63 -8.935 -18.865 20.875 1.00 64.31 H new ATOM 0 HA ASN A 63 -7.198 -16.931 19.771 1.00 12.51 H new ATOM 0 HB2 ASN A 63 -7.924 -18.806 18.452 1.00 52.52 H new ATOM 0 HB3 ASN A 63 -9.616 -18.454 18.744 1.00 52.52 H new ATOM 0 HD21 ASN A 63 -7.490 -16.060 16.081 1.00 43.41 H new ATOM 0 HD22 ASN A 63 -6.672 -16.824 17.448 1.00 43.41 H new ATOM 869 N LEU A 64 -10.383 -16.016 19.848 1.00 13.40 N ATOM 870 CA LEU A 64 -11.267 -14.855 19.883 1.00 23.23 C ATOM 871 C LEU A 64 -11.144 -14.117 21.213 1.00 62.53 C ATOM 872 O LEU A 64 -10.943 -12.903 21.244 1.00 21.11 O ATOM 873 CB LEU A 64 -12.717 -15.287 19.659 1.00 40.44 C ATOM 874 CG LEU A 64 -13.048 -16.737 20.010 1.00 21.44 C ATOM 875 CD1 LEU A 64 -14.511 -16.871 20.403 1.00 20.02 C ATOM 876 CD2 LEU A 64 -12.721 -17.657 18.843 1.00 30.20 C ATOM 0 H LEU A 64 -10.867 -16.913 19.811 1.00 13.40 H new ATOM 0 HA LEU A 64 -10.968 -14.177 19.083 1.00 23.23 H new ATOM 0 HB2 LEU A 64 -13.364 -14.635 20.247 1.00 40.44 H new ATOM 0 HB3 LEU A 64 -12.966 -15.122 18.611 1.00 40.44 H new ATOM 0 HG LEU A 64 -12.436 -17.033 20.862 1.00 21.44 H new ATOM 0 HD11 LEU A 64 -14.728 -17.910 20.649 1.00 20.02 H new ATOM 0 HD12 LEU A 64 -14.714 -16.243 21.270 1.00 20.02 H new ATOM 0 HD13 LEU A 64 -15.141 -16.556 19.571 1.00 20.02 H new ATOM 0 HD21 LEU A 64 -12.963 -18.685 19.111 1.00 30.20 H new ATOM 0 HD22 LEU A 64 -13.306 -17.362 17.972 1.00 30.20 H new ATOM 0 HD23 LEU A 64 -11.659 -17.584 18.608 1.00 30.20 H new ATOM 888 N TYR A 65 -11.264 -14.859 22.308 1.00 25.20 N ATOM 889 CA TYR A 65 -11.166 -14.276 23.641 1.00 50.43 C ATOM 890 C TYR A 65 -9.992 -13.306 23.726 1.00 4.41 C ATOM 891 O TYR A 65 -10.112 -12.215 24.285 1.00 23.21 O ATOM 892 CB TYR A 65 -11.011 -15.376 24.692 1.00 43.20 C ATOM 893 CG TYR A 65 -10.984 -14.857 26.112 1.00 72.11 C ATOM 894 CD1 TYR A 65 -9.968 -14.016 26.546 1.00 3.44 C ATOM 895 CD2 TYR A 65 -11.977 -15.208 27.019 1.00 42.11 C ATOM 896 CE1 TYR A 65 -9.939 -13.540 27.843 1.00 33.01 C ATOM 897 CE2 TYR A 65 -11.957 -14.736 28.317 1.00 13.12 C ATOM 898 CZ TYR A 65 -10.936 -13.903 28.725 1.00 53.24 C ATOM 899 OH TYR A 65 -10.912 -13.430 30.017 1.00 74.03 O ATOM 0 H TYR A 65 -11.429 -15.865 22.299 1.00 25.20 H new ATOM 0 HA TYR A 65 -12.085 -13.724 23.837 1.00 50.43 H new ATOM 0 HB2 TYR A 65 -11.833 -16.084 24.588 1.00 43.20 H new ATOM 0 HB3 TYR A 65 -10.090 -15.926 24.497 1.00 43.20 H new ATOM 0 HD1 TYR A 65 -9.187 -13.729 25.858 1.00 3.44 H new ATOM 0 HD2 TYR A 65 -12.778 -15.861 26.704 1.00 42.11 H new ATOM 0 HE1 TYR A 65 -9.141 -12.888 28.164 1.00 33.01 H new ATOM 0 HE2 TYR A 65 -12.737 -15.018 29.009 1.00 13.12 H new ATOM 0 HH TYR A 65 -11.685 -13.779 30.507 1.00 74.03 H new ATOM 909 N TYR A 66 -8.857 -13.711 23.167 1.00 2.41 N ATOM 910 CA TYR A 66 -7.659 -12.879 23.181 1.00 61.44 C ATOM 911 C TYR A 66 -7.878 -11.595 22.388 1.00 53.34 C ATOM 912 O TYR A 66 -7.297 -10.555 22.697 1.00 22.21 O ATOM 913 CB TYR A 66 -6.471 -13.651 22.604 1.00 24.12 C ATOM 914 CG TYR A 66 -5.172 -12.877 22.638 1.00 72.13 C ATOM 915 CD1 TYR A 66 -5.012 -11.717 21.890 1.00 73.21 C ATOM 916 CD2 TYR A 66 -4.105 -13.306 23.418 1.00 14.53 C ATOM 917 CE1 TYR A 66 -3.828 -11.007 21.917 1.00 25.50 C ATOM 918 CE2 TYR A 66 -2.917 -12.601 23.453 1.00 74.33 C ATOM 919 CZ TYR A 66 -2.783 -11.453 22.700 1.00 71.30 C ATOM 920 OH TYR A 66 -1.602 -10.748 22.731 1.00 62.32 O ATOM 0 H TYR A 66 -8.741 -14.610 22.699 1.00 2.41 H new ATOM 0 HA TYR A 66 -7.444 -12.613 24.216 1.00 61.44 H new ATOM 0 HB2 TYR A 66 -6.346 -14.579 23.162 1.00 24.12 H new ATOM 0 HB3 TYR A 66 -6.693 -13.926 21.573 1.00 24.12 H new ATOM 0 HD1 TYR A 66 -5.828 -11.364 21.277 1.00 73.21 H new ATOM 0 HD2 TYR A 66 -4.206 -14.206 24.007 1.00 14.53 H new ATOM 0 HE1 TYR A 66 -3.720 -10.108 21.329 1.00 25.50 H new ATOM 0 HE2 TYR A 66 -2.098 -12.947 24.066 1.00 74.33 H new ATOM 0 HH TYR A 66 -1.673 -9.965 22.146 1.00 62.32 H new ATOM 930 N GLN A 67 -8.722 -11.676 21.364 1.00 41.22 N ATOM 931 CA GLN A 67 -9.019 -10.520 20.526 1.00 62.13 C ATOM 932 C GLN A 67 -10.324 -9.858 20.954 1.00 74.33 C ATOM 933 O GLN A 67 -10.728 -8.838 20.394 1.00 30.31 O ATOM 934 CB GLN A 67 -9.102 -10.937 19.056 1.00 33.24 C ATOM 935 CG GLN A 67 -7.895 -11.727 18.579 1.00 62.54 C ATOM 936 CD GLN A 67 -8.224 -12.658 17.428 1.00 53.10 C ATOM 937 OE1 GLN A 67 -8.441 -13.854 17.624 1.00 13.02 O ATOM 938 NE2 GLN A 67 -8.264 -12.112 16.218 1.00 63.41 N ATOM 0 H GLN A 67 -9.212 -12.529 21.095 1.00 41.22 H new ATOM 0 HA GLN A 67 -8.211 -9.798 20.646 1.00 62.13 H new ATOM 0 HB2 GLN A 67 -10.000 -11.536 18.907 1.00 33.24 H new ATOM 0 HB3 GLN A 67 -9.209 -10.045 18.439 1.00 33.24 H new ATOM 0 HG2 GLN A 67 -7.112 -11.035 18.269 1.00 62.54 H new ATOM 0 HG3 GLN A 67 -7.495 -12.309 19.409 1.00 62.54 H new ATOM 0 HE21 GLN A 67 -8.078 -11.116 16.102 1.00 63.41 H new ATOM 0 HE22 GLN A 67 -8.481 -12.689 15.405 1.00 63.41 H new ATOM 947 N HIS A 68 -10.981 -10.445 21.949 1.00 32.32 N ATOM 948 CA HIS A 68 -12.242 -9.912 22.453 1.00 71.03 C ATOM 949 C HIS A 68 -12.009 -8.641 23.263 1.00 11.34 C ATOM 950 O HIS A 68 -12.686 -7.633 23.063 1.00 1.32 O ATOM 951 CB HIS A 68 -12.954 -10.956 23.313 1.00 75.11 C ATOM 952 CG HIS A 68 -13.016 -10.594 24.765 1.00 34.50 C ATOM 953 ND1 HIS A 68 -12.033 -10.937 25.669 1.00 44.15 N ATOM 954 CD2 HIS A 68 -13.952 -9.915 25.469 1.00 4.20 C ATOM 955 CE1 HIS A 68 -12.361 -10.485 26.866 1.00 62.13 C ATOM 956 NE2 HIS A 68 -13.521 -9.861 26.772 1.00 42.52 N ATOM 0 H HIS A 68 -10.661 -11.290 22.422 1.00 32.32 H new ATOM 0 HA HIS A 68 -12.872 -9.666 21.598 1.00 71.03 H new ATOM 0 HB2 HIS A 68 -13.968 -11.094 22.938 1.00 75.11 H new ATOM 0 HB3 HIS A 68 -12.442 -11.913 23.207 1.00 75.11 H new ATOM 0 HD1 HIS A 68 -11.185 -11.458 25.448 1.00 44.15 H new ATOM 0 HD2 HIS A 68 -14.867 -9.494 25.079 1.00 4.20 H new ATOM 0 HE1 HIS A 68 -11.779 -10.605 27.768 1.00 62.13 H new ATOM 964 N ALA A 69 -11.048 -8.697 24.180 1.00 40.34 N ATOM 965 CA ALA A 69 -10.725 -7.550 25.019 1.00 13.13 C ATOM 966 C ALA A 69 -10.086 -6.433 24.201 1.00 21.03 C ATOM 967 O ALA A 69 -10.579 -5.306 24.179 1.00 73.34 O ATOM 968 CB ALA A 69 -9.803 -7.970 26.154 1.00 12.34 C ATOM 0 H ALA A 69 -10.480 -9.525 24.360 1.00 40.34 H new ATOM 0 HA ALA A 69 -11.654 -7.168 25.442 1.00 13.13 H new ATOM 0 HB1 ALA A 69 -9.570 -7.104 26.773 1.00 12.34 H new ATOM 0 HB2 ALA A 69 -10.297 -8.728 26.762 1.00 12.34 H new ATOM 0 HB3 ALA A 69 -8.881 -8.380 25.741 1.00 12.34 H new ATOM 974 N GLY A 70 -8.983 -6.754 23.531 1.00 54.55 N ATOM 975 CA GLY A 70 -8.294 -5.766 22.721 1.00 11.20 C ATOM 976 C GLY A 70 -7.109 -6.350 21.978 1.00 73.04 C ATOM 977 O GLY A 70 -6.175 -5.631 21.622 1.00 74.11 O ATOM 0 H GLY A 70 -8.555 -7.680 23.535 1.00 54.55 H new ATOM 0 HA2 GLY A 70 -8.993 -5.337 22.003 1.00 11.20 H new ATOM 0 HA3 GLY A 70 -7.953 -4.951 23.359 1.00 11.20 H new ATOM 981 N ARG A 71 -7.146 -7.658 21.744 1.00 41.23 N ATOM 982 CA ARG A 71 -6.065 -8.339 21.040 1.00 14.45 C ATOM 983 C ARG A 71 -4.716 -8.020 21.678 1.00 32.21 C ATOM 984 O ARG A 71 -3.705 -7.901 20.988 1.00 70.23 O ATOM 985 CB ARG A 71 -6.053 -7.933 19.566 1.00 41.15 C ATOM 986 CG ARG A 71 -7.411 -8.044 18.892 1.00 63.23 C ATOM 987 CD ARG A 71 -7.672 -6.866 17.966 1.00 23.03 C ATOM 988 NE ARG A 71 -7.609 -5.590 18.674 1.00 53.01 N ATOM 989 CZ ARG A 71 -8.193 -4.479 18.238 1.00 2.14 C ATOM 990 NH1 ARG A 71 -8.879 -4.487 17.104 1.00 60.40 N ATOM 991 NH2 ARG A 71 -8.091 -3.356 18.939 1.00 61.44 N ATOM 0 H ARG A 71 -7.912 -8.267 22.031 1.00 41.23 H new ATOM 0 HA ARG A 71 -6.237 -9.413 21.112 1.00 14.45 H new ATOM 0 HB2 ARG A 71 -5.699 -6.905 19.484 1.00 41.15 H new ATOM 0 HB3 ARG A 71 -5.339 -8.560 19.031 1.00 41.15 H new ATOM 0 HG2 ARG A 71 -7.461 -8.973 18.324 1.00 63.23 H new ATOM 0 HG3 ARG A 71 -8.192 -8.092 19.651 1.00 63.23 H new ATOM 0 HD2 ARG A 71 -6.939 -6.870 17.159 1.00 23.03 H new ATOM 0 HD3 ARG A 71 -8.654 -6.977 17.506 1.00 23.03 H new ATOM 0 HE ARG A 71 -7.089 -5.550 19.550 1.00 53.01 H new ATOM 0 HH11 ARG A 71 -8.960 -5.348 16.563 1.00 60.40 H new ATOM 0 HH12 ARG A 71 -9.326 -3.632 16.772 1.00 60.40 H new ATOM 0 HH21 ARG A 71 -7.564 -3.346 19.812 1.00 61.44 H new ATOM 0 HH22 ARG A 71 -8.539 -2.503 18.604 1.00 61.44 H new ATOM 1005 N ASN A 72 -4.710 -7.883 23.000 1.00 21.21 N ATOM 1006 CA ASN A 72 -3.485 -7.577 23.731 1.00 35.40 C ATOM 1007 C ASN A 72 -2.939 -8.823 24.421 1.00 24.15 C ATOM 1008 O ASN A 72 -3.630 -9.835 24.538 1.00 12.34 O ATOM 1009 CB ASN A 72 -3.745 -6.480 24.765 1.00 4.20 C ATOM 1010 CG ASN A 72 -3.311 -5.111 24.276 1.00 31.24 C ATOM 1011 OD1 ASN A 72 -2.195 -4.667 24.548 1.00 34.43 O ATOM 1012 ND2 ASN A 72 -4.194 -4.435 23.551 1.00 34.01 N ATOM 0 H ASN A 72 -5.539 -7.979 23.587 1.00 21.21 H new ATOM 0 HA ASN A 72 -2.742 -7.224 23.016 1.00 35.40 H new ATOM 0 HB2 ASN A 72 -4.808 -6.457 25.007 1.00 4.20 H new ATOM 0 HB3 ASN A 72 -3.214 -6.719 25.686 1.00 4.20 H new ATOM 0 HD21 ASN A 72 -3.959 -3.509 23.195 1.00 34.01 H new ATOM 0 HD22 ASN A 72 -5.107 -4.842 23.350 1.00 34.01 H new ATOM 1019 N SER A 73 -1.693 -8.742 24.878 1.00 43.55 N ATOM 1020 CA SER A 73 -1.051 -9.863 25.554 1.00 53.02 C ATOM 1021 C SER A 73 -1.656 -10.080 26.938 1.00 65.53 C ATOM 1022 O SER A 73 -1.583 -11.177 27.493 1.00 3.43 O ATOM 1023 CB SER A 73 0.454 -9.619 25.675 1.00 63.43 C ATOM 1024 OG SER A 73 0.727 -8.529 26.538 1.00 52.14 O ATOM 0 H SER A 73 -1.108 -7.911 24.792 1.00 43.55 H new ATOM 0 HA SER A 73 -1.219 -10.760 24.958 1.00 53.02 H new ATOM 0 HB2 SER A 73 0.942 -10.517 26.053 1.00 63.43 H new ATOM 0 HB3 SER A 73 0.874 -9.420 24.689 1.00 63.43 H new ATOM 0 HG SER A 73 1.696 -8.395 26.599 1.00 52.14 H new ATOM 1030 N TRP A 74 -2.251 -9.029 27.488 1.00 54.23 N ATOM 1031 CA TRP A 74 -2.869 -9.104 28.807 1.00 42.30 C ATOM 1032 C TRP A 74 -4.241 -9.764 28.729 1.00 0.32 C ATOM 1033 O TRP A 74 -4.925 -9.915 29.740 1.00 12.44 O ATOM 1034 CB TRP A 74 -2.995 -7.705 29.414 1.00 74.34 C ATOM 1035 CG TRP A 74 -3.811 -6.766 28.577 1.00 61.51 C ATOM 1036 CD1 TRP A 74 -5.115 -6.924 28.204 1.00 51.43 C ATOM 1037 CD2 TRP A 74 -3.375 -5.527 28.008 1.00 13.23 C ATOM 1038 NE1 TRP A 74 -5.517 -5.856 27.437 1.00 23.22 N ATOM 1039 CE2 TRP A 74 -4.468 -4.985 27.304 1.00 71.05 C ATOM 1040 CE3 TRP A 74 -2.170 -4.821 28.028 1.00 44.34 C ATOM 1041 CZ2 TRP A 74 -4.388 -3.772 26.625 1.00 51.11 C ATOM 1042 CZ3 TRP A 74 -2.092 -3.617 27.353 1.00 2.03 C ATOM 1043 CH2 TRP A 74 -3.195 -3.102 26.660 1.00 14.04 C ATOM 0 H TRP A 74 -2.319 -8.114 27.042 1.00 54.23 H new ATOM 0 HA TRP A 74 -2.230 -9.713 29.446 1.00 42.30 H new ATOM 0 HB2 TRP A 74 -3.447 -7.785 30.403 1.00 74.34 H new ATOM 0 HB3 TRP A 74 -1.999 -7.285 29.552 1.00 74.34 H new ATOM 0 HD1 TRP A 74 -5.739 -7.764 28.472 1.00 51.43 H new ATOM 0 HE1 TRP A 74 -6.445 -5.732 27.033 1.00 23.22 H new ATOM 0 HE3 TRP A 74 -1.315 -5.209 28.561 1.00 44.34 H new ATOM 0 HZ2 TRP A 74 -5.237 -3.374 26.090 1.00 51.11 H new ATOM 0 HZ3 TRP A 74 -1.164 -3.064 27.360 1.00 2.03 H new ATOM 0 HH2 TRP A 74 -3.102 -2.158 26.143 1.00 14.04 H new ATOM 1054 N ASN A 75 -4.637 -10.155 27.522 1.00 31.45 N ATOM 1055 CA ASN A 75 -5.929 -10.799 27.314 1.00 62.43 C ATOM 1056 C ASN A 75 -5.912 -12.233 27.834 1.00 33.34 C ATOM 1057 O ASN A 75 -6.957 -12.803 28.149 1.00 34.24 O ATOM 1058 CB ASN A 75 -6.293 -10.789 25.828 1.00 51.33 C ATOM 1059 CG ASN A 75 -7.740 -10.403 25.590 1.00 74.30 C ATOM 1060 OD1 ASN A 75 -8.030 -9.444 24.875 1.00 65.04 O ATOM 1061 ND2 ASN A 75 -8.658 -11.152 26.191 1.00 11.30 N ATOM 0 H ASN A 75 -4.083 -10.037 26.674 1.00 31.45 H new ATOM 0 HA ASN A 75 -6.680 -10.238 27.870 1.00 62.43 H new ATOM 0 HB2 ASN A 75 -5.642 -10.090 25.302 1.00 51.33 H new ATOM 0 HB3 ASN A 75 -6.109 -11.777 25.405 1.00 51.33 H new ATOM 0 HD21 ASN A 75 -9.648 -10.941 26.068 1.00 11.30 H new ATOM 0 HD22 ASN A 75 -8.372 -11.938 26.775 1.00 11.30 H new ATOM 1068 N CYS A 76 -4.719 -12.811 27.923 1.00 61.01 N ATOM 1069 CA CYS A 76 -4.564 -14.178 28.405 1.00 35.14 C ATOM 1070 C CYS A 76 -4.516 -14.214 29.930 1.00 23.52 C ATOM 1071 O CYS A 76 -3.490 -13.904 30.536 1.00 30.34 O ATOM 1072 CB CYS A 76 -3.293 -14.804 27.828 1.00 33.25 C ATOM 1073 SG CYS A 76 -3.600 -16.080 26.565 1.00 54.12 S ATOM 0 H CYS A 76 -3.844 -12.353 27.667 1.00 61.01 H new ATOM 0 HA CYS A 76 -5.427 -14.755 28.072 1.00 35.14 H new ATOM 0 HB2 CYS A 76 -2.679 -14.016 27.392 1.00 33.25 H new ATOM 0 HB3 CYS A 76 -2.716 -15.244 28.641 1.00 33.25 H new ATOM 1078 N ASP A 77 -5.631 -14.596 30.543 1.00 1.51 N ATOM 1079 CA ASP A 77 -5.716 -14.674 31.997 1.00 61.22 C ATOM 1080 C ASP A 77 -5.998 -16.104 32.448 1.00 5.11 C ATOM 1081 O ASP A 77 -6.258 -16.355 33.625 1.00 13.40 O ATOM 1082 CB ASP A 77 -6.808 -13.738 32.517 1.00 43.34 C ATOM 1083 CG ASP A 77 -6.555 -12.290 32.143 1.00 72.32 C ATOM 1084 OD1 ASP A 77 -5.375 -11.917 31.977 1.00 23.23 O ATOM 1085 OD2 ASP A 77 -7.538 -11.531 32.015 1.00 40.10 O ATOM 0 H ASP A 77 -6.488 -14.856 30.056 1.00 1.51 H new ATOM 0 HA ASP A 77 -4.756 -14.364 32.410 1.00 61.22 H new ATOM 0 HB2 ASP A 77 -7.772 -14.051 32.116 1.00 43.34 H new ATOM 0 HB3 ASP A 77 -6.871 -13.825 33.602 1.00 43.34 H new ATOM 1090 N PHE A 78 -5.944 -17.038 31.505 1.00 72.24 N ATOM 1091 CA PHE A 78 -6.196 -18.443 31.805 1.00 44.15 C ATOM 1092 C PHE A 78 -5.207 -18.963 32.844 1.00 43.50 C ATOM 1093 O PHE A 78 -5.574 -19.226 33.989 1.00 74.53 O ATOM 1094 CB PHE A 78 -6.101 -19.283 30.529 1.00 32.54 C ATOM 1095 CG PHE A 78 -7.261 -19.088 29.596 1.00 74.34 C ATOM 1096 CD1 PHE A 78 -7.990 -17.910 29.611 1.00 3.22 C ATOM 1097 CD2 PHE A 78 -7.624 -20.084 28.703 1.00 41.24 C ATOM 1098 CE1 PHE A 78 -9.058 -17.727 28.753 1.00 44.21 C ATOM 1099 CE2 PHE A 78 -8.690 -19.906 27.842 1.00 74.33 C ATOM 1100 CZ PHE A 78 -9.409 -18.727 27.868 1.00 40.02 C ATOM 0 H PHE A 78 -5.728 -16.848 30.526 1.00 72.24 H new ATOM 0 HA PHE A 78 -7.203 -18.527 32.214 1.00 44.15 H new ATOM 0 HB2 PHE A 78 -5.178 -19.032 30.006 1.00 32.54 H new ATOM 0 HB3 PHE A 78 -6.037 -20.337 30.801 1.00 32.54 H new ATOM 0 HD1 PHE A 78 -7.720 -17.125 30.302 1.00 3.22 H new ATOM 0 HD2 PHE A 78 -7.068 -21.009 28.680 1.00 41.24 H new ATOM 0 HE1 PHE A 78 -9.617 -16.803 28.775 1.00 44.21 H new ATOM 0 HE2 PHE A 78 -8.961 -20.689 27.149 1.00 74.33 H new ATOM 0 HZ PHE A 78 -10.244 -18.588 27.197 1.00 40.02 H new ATOM 1110 N SER A 79 -3.950 -19.107 32.436 1.00 70.40 N ATOM 1111 CA SER A 79 -2.908 -19.600 33.330 1.00 51.54 C ATOM 1112 C SER A 79 -1.539 -19.523 32.661 1.00 23.15 C ATOM 1113 O SER A 79 -1.424 -19.124 31.503 1.00 4.21 O ATOM 1114 CB SER A 79 -3.204 -21.041 33.748 1.00 74.13 C ATOM 1115 OG SER A 79 -2.865 -21.258 35.106 1.00 11.04 O ATOM 0 H SER A 79 -3.628 -18.889 31.493 1.00 70.40 H new ATOM 0 HA SER A 79 -2.896 -18.968 34.218 1.00 51.54 H new ATOM 0 HB2 SER A 79 -4.261 -21.257 33.595 1.00 74.13 H new ATOM 0 HB3 SER A 79 -2.643 -21.729 33.116 1.00 74.13 H new ATOM 0 HG SER A 79 -3.065 -22.186 35.349 1.00 11.04 H new ATOM 1121 N GLN A 80 -0.504 -19.909 33.401 1.00 10.33 N ATOM 1122 CA GLN A 80 0.858 -19.883 32.881 1.00 30.32 C ATOM 1123 C GLN A 80 1.022 -20.876 31.735 1.00 33.01 C ATOM 1124 O GLN A 80 2.091 -20.974 31.132 1.00 71.40 O ATOM 1125 CB GLN A 80 1.858 -20.202 33.994 1.00 35.04 C ATOM 1126 CG GLN A 80 3.182 -19.470 33.851 1.00 51.21 C ATOM 1127 CD GLN A 80 4.213 -19.925 34.864 1.00 24.32 C ATOM 1128 OE1 GLN A 80 3.947 -20.801 35.688 1.00 60.24 O ATOM 1129 NE2 GLN A 80 5.400 -19.332 34.809 1.00 0.32 N ATOM 0 H GLN A 80 -0.583 -20.243 34.362 1.00 10.33 H new ATOM 0 HA GLN A 80 1.056 -18.881 32.501 1.00 30.32 H new ATOM 0 HB2 GLN A 80 1.413 -19.946 34.955 1.00 35.04 H new ATOM 0 HB3 GLN A 80 2.045 -21.276 34.006 1.00 35.04 H new ATOM 0 HG2 GLN A 80 3.573 -19.627 32.845 1.00 51.21 H new ATOM 0 HG3 GLN A 80 3.015 -18.399 33.965 1.00 51.21 H new ATOM 0 HE21 GLN A 80 5.578 -18.611 34.110 1.00 0.32 H new ATOM 0 HE22 GLN A 80 6.134 -19.598 35.466 1.00 0.32 H new ATOM 1138 N THR A 81 -0.045 -21.612 31.439 1.00 54.33 N ATOM 1139 CA THR A 81 -0.020 -22.598 30.366 1.00 22.02 C ATOM 1140 C THR A 81 -0.623 -22.033 29.085 1.00 23.12 C ATOM 1141 O THR A 81 -0.055 -22.180 28.003 1.00 32.53 O ATOM 1142 CB THR A 81 -0.784 -23.876 30.760 1.00 73.01 C ATOM 1143 OG1 THR A 81 -2.191 -23.612 30.804 1.00 41.52 O ATOM 1144 CG2 THR A 81 -0.317 -24.391 32.113 1.00 13.31 C ATOM 0 H THR A 81 -0.938 -21.544 31.928 1.00 54.33 H new ATOM 0 HA THR A 81 1.026 -22.848 30.191 1.00 22.02 H new ATOM 0 HB THR A 81 -0.581 -24.640 30.009 1.00 73.01 H new ATOM 0 HG1 THR A 81 -2.470 -23.477 31.734 1.00 41.52 H new ATOM 0 HG21 THR A 81 -0.871 -25.294 32.370 1.00 13.31 H new ATOM 0 HG22 THR A 81 0.748 -24.619 32.068 1.00 13.31 H new ATOM 0 HG23 THR A 81 -0.493 -23.629 32.873 1.00 13.31 H new ATOM 1152 N ALA A 82 -1.776 -21.385 29.215 1.00 61.40 N ATOM 1153 CA ALA A 82 -2.454 -20.796 28.067 1.00 13.25 C ATOM 1154 C ALA A 82 -1.858 -19.437 27.716 1.00 70.13 C ATOM 1155 O ALA A 82 -2.527 -18.587 27.127 1.00 2.11 O ATOM 1156 CB ALA A 82 -3.944 -20.664 28.346 1.00 74.35 C ATOM 0 H ALA A 82 -2.260 -21.255 30.103 1.00 61.40 H new ATOM 0 HA ALA A 82 -2.312 -21.458 27.213 1.00 13.25 H new ATOM 0 HB1 ALA A 82 -4.439 -20.223 27.481 1.00 74.35 H new ATOM 0 HB2 ALA A 82 -4.366 -21.650 28.542 1.00 74.35 H new ATOM 0 HB3 ALA A 82 -4.096 -20.025 29.216 1.00 74.35 H new ATOM 1162 N THR A 83 -0.595 -19.238 28.081 1.00 52.34 N ATOM 1163 CA THR A 83 0.091 -17.982 27.805 1.00 13.43 C ATOM 1164 C THR A 83 0.721 -17.992 26.417 1.00 1.05 C ATOM 1165 O THR A 83 0.581 -18.959 25.668 1.00 22.50 O ATOM 1166 CB THR A 83 1.185 -17.698 28.852 1.00 51.13 C ATOM 1167 OG1 THR A 83 1.607 -16.332 28.762 1.00 74.52 O ATOM 1168 CG2 THR A 83 2.380 -18.617 28.648 1.00 34.41 C ATOM 0 H THR A 83 -0.027 -19.931 28.568 1.00 52.34 H new ATOM 0 HA THR A 83 -0.661 -17.194 27.853 1.00 13.43 H new ATOM 0 HB THR A 83 0.767 -17.884 29.841 1.00 51.13 H new ATOM 0 HG1 THR A 83 2.301 -16.159 29.432 1.00 74.52 H new ATOM 0 HG21 THR A 83 3.140 -18.398 29.399 1.00 34.41 H new ATOM 0 HG22 THR A 83 2.062 -19.655 28.746 1.00 34.41 H new ATOM 0 HG23 THR A 83 2.796 -18.457 27.653 1.00 34.41 H new ATOM 1176 N LEU A 84 1.416 -16.911 26.080 1.00 30.24 N ATOM 1177 CA LEU A 84 2.070 -16.796 24.781 1.00 34.23 C ATOM 1178 C LEU A 84 3.209 -17.802 24.654 1.00 2.01 C ATOM 1179 O LEU A 84 4.265 -17.642 25.267 1.00 44.42 O ATOM 1180 CB LEU A 84 2.602 -15.376 24.580 1.00 24.43 C ATOM 1181 CG LEU A 84 1.606 -14.244 24.830 1.00 53.13 C ATOM 1182 CD1 LEU A 84 2.334 -12.919 24.993 1.00 14.34 C ATOM 1183 CD2 LEU A 84 0.595 -14.163 23.695 1.00 45.14 C ATOM 0 H LEU A 84 1.541 -16.102 26.688 1.00 30.24 H new ATOM 0 HA LEU A 84 1.332 -17.013 24.009 1.00 34.23 H new ATOM 0 HB2 LEU A 84 3.457 -15.233 25.241 1.00 24.43 H new ATOM 0 HB3 LEU A 84 2.971 -15.289 23.558 1.00 24.43 H new ATOM 0 HG LEU A 84 1.069 -14.456 25.754 1.00 53.13 H new ATOM 0 HD11 LEU A 84 1.609 -12.125 25.170 1.00 14.34 H new ATOM 0 HD12 LEU A 84 3.018 -12.981 25.839 1.00 14.34 H new ATOM 0 HD13 LEU A 84 2.898 -12.700 24.086 1.00 14.34 H new ATOM 0 HD21 LEU A 84 -0.106 -13.352 23.890 1.00 45.14 H new ATOM 0 HD22 LEU A 84 1.116 -13.975 22.756 1.00 45.14 H new ATOM 0 HD23 LEU A 84 0.050 -15.105 23.625 1.00 45.14 H new ATOM 1195 N THR A 85 2.989 -18.840 23.852 1.00 4.44 N ATOM 1196 CA THR A 85 3.997 -19.871 23.643 1.00 25.04 C ATOM 1197 C THR A 85 5.075 -19.398 22.675 1.00 62.24 C ATOM 1198 O THR A 85 4.916 -18.379 22.004 1.00 63.31 O ATOM 1199 CB THR A 85 3.369 -21.169 23.101 1.00 4.23 C ATOM 1200 OG1 THR A 85 4.167 -22.295 23.482 1.00 31.43 O ATOM 1201 CG2 THR A 85 3.245 -21.118 21.586 1.00 64.10 C ATOM 0 H THR A 85 2.121 -18.988 23.337 1.00 4.44 H new ATOM 0 HA THR A 85 4.449 -20.073 24.614 1.00 25.04 H new ATOM 0 HB THR A 85 2.371 -21.270 23.528 1.00 4.23 H new ATOM 0 HG1 THR A 85 3.760 -23.116 23.135 1.00 31.43 H new ATOM 0 HG21 THR A 85 2.799 -22.045 21.226 1.00 64.10 H new ATOM 0 HG22 THR A 85 2.613 -20.277 21.301 1.00 64.10 H new ATOM 0 HG23 THR A 85 4.234 -20.995 21.144 1.00 64.10 H new ATOM 1209 N ASN A 86 6.172 -20.146 22.606 1.00 0.20 N ATOM 1210 CA ASN A 86 7.277 -19.802 21.718 1.00 32.40 C ATOM 1211 C ASN A 86 6.784 -19.608 20.287 1.00 25.31 C ATOM 1212 O ASN A 86 5.581 -19.536 20.037 1.00 72.44 O ATOM 1213 CB ASN A 86 8.348 -20.894 21.757 1.00 21.00 C ATOM 1214 CG ASN A 86 8.859 -21.153 23.161 1.00 2.32 C ATOM 1215 OD1 ASN A 86 8.437 -20.502 24.117 1.00 11.01 O ATOM 1216 ND2 ASN A 86 9.774 -22.107 23.291 1.00 15.14 N ATOM 0 H ASN A 86 6.319 -20.994 23.154 1.00 0.20 H new ATOM 0 HA ASN A 86 7.711 -18.864 22.064 1.00 32.40 H new ATOM 0 HB2 ASN A 86 7.937 -21.817 21.347 1.00 21.00 H new ATOM 0 HB3 ASN A 86 9.182 -20.604 21.118 1.00 21.00 H new ATOM 0 HD21 ASN A 86 10.156 -22.325 24.211 1.00 15.14 H new ATOM 0 HD22 ASN A 86 10.095 -22.621 22.471 1.00 15.14 H new ATOM 1223 N THR A 87 7.724 -19.525 19.350 1.00 52.40 N ATOM 1224 CA THR A 87 7.387 -19.338 17.944 1.00 33.44 C ATOM 1225 C THR A 87 6.241 -20.253 17.528 1.00 73.40 C ATOM 1226 O THR A 87 5.804 -21.107 18.299 1.00 51.30 O ATOM 1227 CB THR A 87 8.600 -19.608 17.035 1.00 23.31 C ATOM 1228 OG1 THR A 87 8.473 -18.869 15.815 1.00 12.15 O ATOM 1229 CG2 THR A 87 8.724 -21.092 16.724 1.00 71.23 C ATOM 0 H THR A 87 8.724 -19.584 19.540 1.00 52.40 H new ATOM 0 HA THR A 87 7.080 -18.299 17.828 1.00 33.44 H new ATOM 0 HB THR A 87 9.499 -19.287 17.562 1.00 23.31 H new ATOM 0 HG1 THR A 87 9.249 -19.045 15.244 1.00 12.15 H new ATOM 0 HG21 THR A 87 9.588 -21.258 16.080 1.00 71.23 H new ATOM 0 HG22 THR A 87 8.851 -21.649 17.652 1.00 71.23 H new ATOM 0 HG23 THR A 87 7.822 -21.434 16.216 1.00 71.23 H new ATOM 1237 N ASN A 88 5.758 -20.070 16.303 1.00 2.12 N ATOM 1238 CA ASN A 88 4.662 -20.880 15.784 1.00 0.13 C ATOM 1239 C ASN A 88 4.961 -22.367 15.945 1.00 21.24 C ATOM 1240 O ASN A 88 5.779 -22.943 15.227 1.00 1.33 O ATOM 1241 CB ASN A 88 4.414 -20.555 14.310 1.00 53.11 C ATOM 1242 CG ASN A 88 3.307 -21.400 13.710 1.00 31.30 C ATOM 1243 OD1 ASN A 88 3.551 -22.234 12.838 1.00 31.40 O ATOM 1244 ND2 ASN A 88 2.082 -21.188 14.176 1.00 54.52 N ATOM 0 H ASN A 88 6.109 -19.368 15.651 1.00 2.12 H new ATOM 0 HA ASN A 88 3.765 -20.644 16.357 1.00 0.13 H new ATOM 0 HB2 ASN A 88 4.156 -19.500 14.212 1.00 53.11 H new ATOM 0 HB3 ASN A 88 5.334 -20.712 13.746 1.00 53.11 H new ATOM 0 HD21 ASN A 88 1.297 -21.727 13.811 1.00 54.52 H new ATOM 0 HD22 ASN A 88 1.926 -20.486 14.900 1.00 54.52 H new ATOM 1251 N PRO A 89 4.283 -23.006 16.910 1.00 33.11 N ATOM 1252 CA PRO A 89 4.458 -24.435 17.188 1.00 53.24 C ATOM 1253 C PRO A 89 3.897 -25.314 16.075 1.00 21.33 C ATOM 1254 O PRO A 89 4.305 -26.465 15.916 1.00 53.24 O ATOM 1255 CB PRO A 89 3.669 -24.644 18.483 1.00 5.31 C ATOM 1256 CG PRO A 89 2.648 -23.559 18.484 1.00 70.30 C ATOM 1257 CD PRO A 89 3.292 -22.383 17.804 1.00 42.01 C ATOM 0 HA PRO A 89 5.510 -24.710 17.265 1.00 53.24 H new ATOM 0 HB2 PRO A 89 3.201 -25.628 18.507 1.00 5.31 H new ATOM 0 HB3 PRO A 89 4.317 -24.578 19.357 1.00 5.31 H new ATOM 0 HG2 PRO A 89 1.747 -23.870 17.955 1.00 70.30 H new ATOM 0 HG3 PRO A 89 2.349 -23.306 19.501 1.00 70.30 H new ATOM 0 HD2 PRO A 89 2.564 -21.793 17.248 1.00 42.01 H new ATOM 0 HD3 PRO A 89 3.764 -21.713 18.522 1.00 42.01 H new ATOM 1265 N SER A 90 2.960 -24.765 15.308 1.00 24.43 N ATOM 1266 CA SER A 90 2.341 -25.502 14.212 1.00 4.25 C ATOM 1267 C SER A 90 3.402 -26.099 13.292 1.00 35.22 C ATOM 1268 O SER A 90 4.048 -25.385 12.525 1.00 11.14 O ATOM 1269 CB SER A 90 1.414 -24.584 13.413 1.00 22.30 C ATOM 1270 OG SER A 90 0.940 -25.231 12.245 1.00 71.22 O ATOM 0 H SER A 90 2.613 -23.813 15.425 1.00 24.43 H new ATOM 0 HA SER A 90 1.755 -26.316 14.638 1.00 4.25 H new ATOM 0 HB2 SER A 90 0.570 -24.284 14.034 1.00 22.30 H new ATOM 0 HB3 SER A 90 1.947 -23.674 13.138 1.00 22.30 H new ATOM 0 HG SER A 90 0.693 -26.155 12.460 1.00 71.22 H new ATOM 1276 N TYR A 91 3.574 -27.414 13.374 1.00 3.45 N ATOM 1277 CA TYR A 91 4.557 -28.108 12.552 1.00 63.34 C ATOM 1278 C TYR A 91 4.021 -28.342 11.143 1.00 73.13 C ATOM 1279 O TYR A 91 4.776 -28.653 10.222 1.00 15.32 O ATOM 1280 CB TYR A 91 4.937 -29.444 13.193 1.00 65.03 C ATOM 1281 CG TYR A 91 3.777 -30.405 13.324 1.00 43.15 C ATOM 1282 CD1 TYR A 91 3.458 -31.284 12.296 1.00 24.11 C ATOM 1283 CD2 TYR A 91 3.001 -30.434 14.475 1.00 14.04 C ATOM 1284 CE1 TYR A 91 2.399 -32.163 12.411 1.00 11.02 C ATOM 1285 CE2 TYR A 91 1.940 -31.311 14.600 1.00 41.52 C ATOM 1286 CZ TYR A 91 1.643 -32.173 13.565 1.00 50.41 C ATOM 1287 OH TYR A 91 0.588 -33.048 13.684 1.00 54.40 O ATOM 0 H TYR A 91 3.045 -28.020 14.001 1.00 3.45 H new ATOM 0 HA TYR A 91 5.445 -27.479 12.484 1.00 63.34 H new ATOM 0 HB2 TYR A 91 5.721 -29.913 12.598 1.00 65.03 H new ATOM 0 HB3 TYR A 91 5.356 -29.257 14.182 1.00 65.03 H new ATOM 0 HD1 TYR A 91 4.048 -31.280 11.392 1.00 24.11 H new ATOM 0 HD2 TYR A 91 3.230 -29.760 15.287 1.00 14.04 H new ATOM 0 HE1 TYR A 91 2.164 -32.839 11.602 1.00 11.02 H new ATOM 0 HE2 TYR A 91 1.347 -31.321 15.503 1.00 41.52 H new ATOM 0 HH TYR A 91 0.160 -32.928 14.558 1.00 54.40 H new ATOM 1297 N GLY A 92 2.710 -28.189 10.983 1.00 74.33 N ATOM 1298 CA GLY A 92 2.093 -28.387 9.684 1.00 13.31 C ATOM 1299 C GLY A 92 0.579 -28.332 9.747 1.00 62.12 C ATOM 1300 O GLY A 92 0.006 -27.355 10.227 1.00 1.22 O ATOM 0 H GLY A 92 2.064 -27.932 11.729 1.00 74.33 H new ATOM 0 HA2 GLY A 92 2.453 -27.624 8.994 1.00 13.31 H new ATOM 0 HA3 GLY A 92 2.402 -29.352 9.282 1.00 13.31 H new ATOM 1304 N ALA A 93 -0.070 -29.384 9.259 1.00 50.15 N ATOM 1305 CA ALA A 93 -1.526 -29.452 9.262 1.00 51.35 C ATOM 1306 C ALA A 93 -2.101 -28.843 10.536 1.00 54.44 C ATOM 1307 O ALA A 93 -3.075 -28.090 10.492 1.00 73.45 O ATOM 1308 CB ALA A 93 -1.988 -30.893 9.108 1.00 25.55 C ATOM 0 H ALA A 93 0.390 -30.201 8.857 1.00 50.15 H new ATOM 0 HA ALA A 93 -1.894 -28.872 8.415 1.00 51.35 H new ATOM 0 HB1 ALA A 93 -3.077 -30.928 9.112 1.00 25.55 H new ATOM 0 HB2 ALA A 93 -1.615 -31.296 8.166 1.00 25.55 H new ATOM 0 HB3 ALA A 93 -1.603 -31.489 9.935 1.00 25.55 H new ATOM 1314 N CYS A 94 -1.494 -29.172 11.670 1.00 23.53 N ATOM 1315 CA CYS A 94 -1.946 -28.659 12.958 1.00 62.22 C ATOM 1316 C CYS A 94 -1.515 -27.207 13.146 1.00 21.52 C ATOM 1317 O CYS A 94 -0.359 -26.929 13.463 1.00 15.43 O ATOM 1318 CB CYS A 94 -1.392 -29.519 14.096 1.00 54.20 C ATOM 1319 SG CYS A 94 -2.647 -30.538 14.936 1.00 13.41 S ATOM 0 H CYS A 94 -0.686 -29.793 11.724 1.00 23.53 H new ATOM 0 HA CYS A 94 -3.035 -28.702 12.977 1.00 62.22 H new ATOM 0 HB2 CYS A 94 -0.615 -30.172 13.698 1.00 54.20 H new ATOM 0 HB3 CYS A 94 -0.916 -28.869 14.830 1.00 54.20 H new ATOM 1324 N ASN A 95 -2.453 -26.287 12.949 1.00 72.12 N ATOM 1325 CA ASN A 95 -2.171 -24.864 13.097 1.00 40.14 C ATOM 1326 C ASN A 95 -2.651 -24.352 14.451 1.00 1.03 C ATOM 1327 O ASN A 95 -3.768 -24.644 14.877 1.00 35.52 O ATOM 1328 CB ASN A 95 -2.841 -24.071 11.973 1.00 44.54 C ATOM 1329 CG ASN A 95 -2.131 -22.761 11.687 1.00 21.12 C ATOM 1330 OD1 ASN A 95 -1.584 -22.129 12.591 1.00 41.22 O ATOM 1331 ND2 ASN A 95 -2.137 -22.348 10.425 1.00 12.22 N ATOM 0 H ASN A 95 -3.415 -26.501 12.686 1.00 72.12 H new ATOM 0 HA ASN A 95 -1.092 -24.725 13.038 1.00 40.14 H new ATOM 0 HB2 ASN A 95 -2.860 -24.676 11.067 1.00 44.54 H new ATOM 0 HB3 ASN A 95 -3.877 -23.868 12.243 1.00 44.54 H new ATOM 0 HD21 ASN A 95 -1.675 -21.474 10.172 1.00 12.22 H new ATOM 0 HD22 ASN A 95 -2.603 -22.905 9.708 1.00 12.22 H new ATOM 1338 N PHE A 96 -1.799 -23.586 15.124 1.00 44.42 N ATOM 1339 CA PHE A 96 -2.135 -23.033 16.431 1.00 41.34 C ATOM 1340 C PHE A 96 -2.743 -21.640 16.292 1.00 73.32 C ATOM 1341 O PHE A 96 -2.391 -20.867 15.401 1.00 70.23 O ATOM 1342 CB PHE A 96 -0.890 -22.971 17.318 1.00 62.42 C ATOM 1343 CG PHE A 96 -0.588 -24.266 18.017 1.00 2.11 C ATOM 1344 CD1 PHE A 96 -0.034 -25.330 17.324 1.00 23.11 C ATOM 1345 CD2 PHE A 96 -0.857 -24.418 19.368 1.00 74.44 C ATOM 1346 CE1 PHE A 96 0.244 -26.523 17.965 1.00 4.51 C ATOM 1347 CE2 PHE A 96 -0.581 -25.608 20.014 1.00 30.42 C ATOM 1348 CZ PHE A 96 -0.028 -26.661 19.312 1.00 74.50 C ATOM 0 H PHE A 96 -0.870 -23.334 14.786 1.00 44.42 H new ATOM 0 HA PHE A 96 -2.872 -23.688 16.896 1.00 41.34 H new ATOM 0 HB2 PHE A 96 -0.032 -22.688 16.708 1.00 62.42 H new ATOM 0 HB3 PHE A 96 -1.023 -22.187 18.064 1.00 62.42 H new ATOM 0 HD1 PHE A 96 0.183 -25.226 16.271 1.00 23.11 H new ATOM 0 HD2 PHE A 96 -1.287 -23.597 19.922 1.00 74.44 H new ATOM 0 HE1 PHE A 96 0.673 -27.346 17.413 1.00 4.51 H new ATOM 0 HE2 PHE A 96 -0.798 -25.714 21.067 1.00 30.42 H new ATOM 0 HZ PHE A 96 0.191 -27.591 19.816 1.00 74.50 H new ATOM 1358 N PRO A 97 -3.680 -21.312 17.194 1.00 51.12 N ATOM 1359 CA PRO A 97 -4.358 -20.012 17.194 1.00 70.13 C ATOM 1360 C PRO A 97 -3.428 -18.873 17.599 1.00 35.55 C ATOM 1361 O PRO A 97 -2.923 -18.842 18.721 1.00 11.04 O ATOM 1362 CB PRO A 97 -5.469 -20.191 18.232 1.00 62.34 C ATOM 1363 CG PRO A 97 -4.968 -21.260 19.141 1.00 13.45 C ATOM 1364 CD PRO A 97 -4.149 -22.184 18.284 1.00 54.04 C ATOM 0 HA PRO A 97 -4.722 -19.742 16.203 1.00 70.13 H new ATOM 0 HB2 PRO A 97 -5.656 -19.265 18.775 1.00 62.34 H new ATOM 0 HB3 PRO A 97 -6.408 -20.480 17.761 1.00 62.34 H new ATOM 0 HG2 PRO A 97 -4.365 -20.837 19.945 1.00 13.45 H new ATOM 0 HG3 PRO A 97 -5.795 -21.793 19.609 1.00 13.45 H new ATOM 0 HD2 PRO A 97 -3.317 -22.615 18.840 1.00 54.04 H new ATOM 0 HD3 PRO A 97 -4.745 -23.015 17.906 1.00 54.04 H new ATOM 1372 N SER A 98 -3.208 -17.940 16.680 1.00 44.32 N ATOM 1373 CA SER A 98 -2.336 -16.800 16.941 1.00 23.42 C ATOM 1374 C SER A 98 -3.154 -15.544 17.226 1.00 23.51 C ATOM 1375 O SER A 98 -2.602 -14.478 17.496 1.00 61.54 O ATOM 1376 CB SER A 98 -1.407 -16.558 15.750 1.00 63.30 C ATOM 1377 OG SER A 98 -2.136 -16.131 14.613 1.00 53.02 O ATOM 0 H SER A 98 -3.621 -17.950 15.747 1.00 44.32 H new ATOM 0 HA SER A 98 -1.735 -17.028 17.821 1.00 23.42 H new ATOM 0 HB2 SER A 98 -0.663 -15.806 16.012 1.00 63.30 H new ATOM 0 HB3 SER A 98 -0.865 -17.474 15.515 1.00 63.30 H new ATOM 0 HG SER A 98 -1.519 -15.982 13.866 1.00 53.02 H new ATOM 1383 N GLY A 99 -4.475 -15.680 17.164 1.00 11.52 N ATOM 1384 CA GLY A 99 -5.349 -14.549 17.417 1.00 10.04 C ATOM 1385 C GLY A 99 -5.956 -13.989 16.146 1.00 30.22 C ATOM 1386 O GLY A 99 -7.048 -14.390 15.743 1.00 43.02 O ATOM 0 H GLY A 99 -4.955 -16.552 16.943 1.00 11.52 H new ATOM 0 HA2 GLY A 99 -6.147 -14.855 18.093 1.00 10.04 H new ATOM 0 HA3 GLY A 99 -4.786 -13.765 17.923 1.00 10.04 H new ATOM 1390 N SER A 100 -5.248 -13.059 15.514 1.00 0.30 N ATOM 1391 CA SER A 100 -5.726 -12.439 14.284 1.00 52.31 C ATOM 1392 C SER A 100 -5.526 -13.370 13.092 1.00 22.34 C ATOM 1393 O SER A 100 -4.413 -13.821 12.823 1.00 12.23 O ATOM 1394 CB SER A 100 -4.999 -11.115 14.039 1.00 70.12 C ATOM 1395 OG SER A 100 -5.551 -10.428 12.929 1.00 65.22 O ATOM 0 H SER A 100 -4.341 -12.718 15.833 1.00 0.30 H new ATOM 0 HA SER A 100 -6.793 -12.245 14.396 1.00 52.31 H new ATOM 0 HB2 SER A 100 -5.067 -10.489 14.929 1.00 70.12 H new ATOM 0 HB3 SER A 100 -3.940 -11.305 13.863 1.00 70.12 H new ATOM 0 HG SER A 100 -5.070 -9.585 12.794 1.00 65.22 H new ATOM 1401 N ASN A 101 -6.613 -13.655 12.382 1.00 3.52 N ATOM 1402 CA ASN A 101 -6.558 -14.533 11.219 1.00 2.04 C ATOM 1403 C ASN A 101 -6.458 -13.723 9.930 1.00 23.32 C ATOM 1404 O ASN A 101 -7.299 -12.868 9.656 1.00 11.24 O ATOM 1405 CB ASN A 101 -7.794 -15.433 11.175 1.00 15.30 C ATOM 1406 CG ASN A 101 -8.235 -15.878 12.556 1.00 13.00 C ATOM 1407 OD1 ASN A 101 -7.427 -15.963 13.480 1.00 23.44 O ATOM 1408 ND2 ASN A 101 -9.524 -16.165 12.702 1.00 43.42 N ATOM 0 H ASN A 101 -7.542 -13.291 12.592 1.00 3.52 H new ATOM 0 HA ASN A 101 -5.667 -15.155 11.306 1.00 2.04 H new ATOM 0 HB2 ASN A 101 -8.611 -14.899 10.690 1.00 15.30 H new ATOM 0 HB3 ASN A 101 -7.580 -16.310 10.565 1.00 15.30 H new ATOM 0 HD21 ASN A 101 -9.879 -16.470 13.608 1.00 43.42 H new ATOM 0 HD22 ASN A 101 -10.158 -16.080 11.908 1.00 43.42 H new TER 1415 ASN A 101