USER MOD reduce.3.24.130724 H: found=0, std=0, add=839, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 840 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 90 TYR OH : rot -161:sc= 0.405 USER MOD Set 1.2: A 108 GLN : amide:sc= 0 K(o=0.41,f=-0.11) USER MOD Set 2.1: A 56 HIS : no HD1:sc= 0 X(o=0,f=-0.035) USER MOD Set 2.2: A 80 THR OG1 : rot 180:sc= 0 USER MOD Set 3.1: A 21 ASN :FLIP amide:sc= 0.266 F(o=-1.7!,f=0.5) USER MOD Set 3.2: A 23 THR OG1 : rot 13:sc= 0.232 USER MOD Single : A 9 LYS NZ :NH3+ -159:sc= 0.204 (180deg=-0.244) USER MOD Single : A 10 GLN :FLIP amide:sc= 0 F(o=-1.3,f=0) USER MOD Single : A 17 GLN :FLIP amide:sc= -0.094 F(o=-1.4,f=-0.094) USER MOD Single : A 20 LYS NZ :NH3+ 173:sc= 0.684 (180deg=0.676) USER MOD Single : A 28 GLN : amide:sc= -0.201 K(o=-0.2,f=-3.2!) USER MOD Single : A 32 ASN : amide:sc= -0.0814 K(o=-0.081,f=-0.81!) USER MOD Single : A 33 LYS NZ :NH3+ 172:sc=-0.00366 (180deg=-0.0837) USER MOD Single : A 36 SER OG : rot -50:sc= -1.64 USER MOD Single : A 42 GLN : amide:sc= 0 X(o=0,f=-0.15) USER MOD Single : A 46 HIS : no HD1:sc= 0 X(o=0,f=-0.012) USER MOD Single : A 51 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 GLN :FLIP amide:sc= -0.722 F(o=-1.9!,f=-0.72) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 THR OG1 : rot 32:sc= 0.126 USER MOD Single : A 69 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 ASN : amide:sc= -1.3 X(o=-1.3,f=-1.6) USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 THR OG1 : rot -30:sc= 0.827 USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 ASN : amide:sc= -0.0322 X(o=-0.032,f=-0.0081) USER MOD Single : A 88 THR OG1 : rot 135:sc= 0.32 USER MOD Single : A 89 THR OG1 : rot 180:sc= 0 USER MOD Single : A 100 THR OG1 : rot 180:sc= -0.0626 USER MOD Single : A 105 THR OG1 : rot -130:sc= 0 USER MOD Single : A 107 THR OG1 : rot 180:sc= 0 USER MOD Single : A 109 ASN : amide:sc= -0.0206 X(o=-0.021,f=0) USER MOD ----------------------------------------------------------------- ATOM 37 N ASP A 3 7.439 -13.826 -5.933 1.00 2.15 N ATOM 38 CA ASP A 3 7.911 -12.489 -6.346 1.00 44.24 C ATOM 39 C ASP A 3 7.728 -11.462 -5.207 1.00 24.05 C ATOM 40 O ASP A 3 7.421 -10.313 -5.473 1.00 21.13 O ATOM 41 CB ASP A 3 7.106 -12.041 -7.607 1.00 25.44 C ATOM 42 CG ASP A 3 7.125 -13.075 -8.748 1.00 3.45 C ATOM 43 OD1 ASP A 3 6.397 -14.093 -8.646 1.00 10.14 O ATOM 44 OD2 ASP A 3 7.854 -12.881 -9.753 1.00 45.10 O ATOM 0 HA ASP A 3 8.974 -12.541 -6.580 1.00 44.24 H new ATOM 0 HB2 ASP A 3 6.072 -11.849 -7.319 1.00 25.44 H new ATOM 0 HB3 ASP A 3 7.515 -11.100 -7.974 1.00 25.44 H new ATOM 49 N ILE A 4 8.040 -11.883 -3.967 1.00 51.41 N ATOM 50 CA ILE A 4 7.676 -11.183 -2.698 1.00 34.45 C ATOM 51 C ILE A 4 8.069 -9.679 -2.667 1.00 45.35 C ATOM 52 O ILE A 4 7.283 -8.843 -2.202 1.00 52.13 O ATOM 53 CB ILE A 4 8.319 -11.934 -1.459 1.00 4.23 C ATOM 54 CG1 ILE A 4 7.870 -13.437 -1.419 1.00 15.31 C ATOM 55 CG2 ILE A 4 7.997 -11.223 -0.115 1.00 33.45 C ATOM 56 CD1 ILE A 4 6.383 -13.652 -1.215 1.00 3.32 C ATOM 0 H ILE A 4 8.566 -12.741 -3.804 1.00 51.41 H new ATOM 0 HA ILE A 4 6.588 -11.213 -2.641 1.00 34.45 H new ATOM 0 HB ILE A 4 9.401 -11.902 -1.590 1.00 4.23 H new ATOM 0 HG12 ILE A 4 8.167 -13.915 -2.352 1.00 15.31 H new ATOM 0 HG13 ILE A 4 8.409 -13.941 -0.617 1.00 15.31 H new ATOM 0 HG21 ILE A 4 8.457 -11.772 0.706 1.00 33.45 H new ATOM 0 HG22 ILE A 4 8.390 -10.207 -0.138 1.00 33.45 H new ATOM 0 HG23 ILE A 4 6.917 -11.191 0.030 1.00 33.45 H new ATOM 0 HD11 ILE A 4 6.168 -14.721 -1.201 1.00 3.32 H new ATOM 0 HD12 ILE A 4 6.078 -13.208 -0.267 1.00 3.32 H new ATOM 0 HD13 ILE A 4 5.832 -13.182 -2.030 1.00 3.32 H new ATOM 68 N VAL A 5 9.269 -9.349 -3.182 1.00 50.24 N ATOM 69 CA VAL A 5 9.798 -7.965 -3.199 1.00 33.23 C ATOM 70 C VAL A 5 9.010 -7.092 -4.201 1.00 73.13 C ATOM 71 O VAL A 5 8.506 -6.020 -3.845 1.00 42.23 O ATOM 72 CB VAL A 5 11.332 -7.954 -3.554 1.00 12.21 C ATOM 73 CG1 VAL A 5 11.909 -6.516 -3.548 1.00 70.10 C ATOM 74 CG2 VAL A 5 12.122 -8.866 -2.585 1.00 25.41 C ATOM 0 H VAL A 5 9.902 -10.032 -3.599 1.00 50.24 H new ATOM 0 HA VAL A 5 9.674 -7.546 -2.200 1.00 33.23 H new ATOM 0 HB VAL A 5 11.440 -8.346 -4.565 1.00 12.21 H new ATOM 0 HG11 VAL A 5 12.970 -6.548 -3.797 1.00 70.10 H new ATOM 0 HG12 VAL A 5 11.382 -5.909 -4.284 1.00 70.10 H new ATOM 0 HG13 VAL A 5 11.782 -6.077 -2.558 1.00 70.10 H new ATOM 0 HG21 VAL A 5 13.180 -8.845 -2.847 1.00 25.41 H new ATOM 0 HG22 VAL A 5 11.994 -8.509 -1.563 1.00 25.41 H new ATOM 0 HG23 VAL A 5 11.749 -9.888 -2.662 1.00 25.41 H new ATOM 84 N GLU A 6 8.894 -7.593 -5.447 1.00 41.42 N ATOM 85 CA GLU A 6 8.159 -6.909 -6.537 1.00 12.33 C ATOM 86 C GLU A 6 6.653 -6.817 -6.195 1.00 31.53 C ATOM 87 O GLU A 6 5.963 -5.869 -6.577 1.00 70.02 O ATOM 88 CB GLU A 6 8.363 -7.675 -7.874 1.00 11.04 C ATOM 89 CG GLU A 6 7.883 -6.923 -9.142 1.00 5.12 C ATOM 90 CD GLU A 6 8.727 -5.668 -9.458 1.00 3.11 C ATOM 91 OE1 GLU A 6 9.821 -5.813 -10.043 1.00 70.14 O ATOM 92 OE2 GLU A 6 8.319 -4.538 -9.115 1.00 63.30 O ATOM 0 H GLU A 6 9.306 -8.483 -5.729 1.00 41.42 H new ATOM 0 HA GLU A 6 8.550 -5.898 -6.646 1.00 12.33 H new ATOM 0 HB2 GLU A 6 9.423 -7.904 -7.986 1.00 11.04 H new ATOM 0 HB3 GLU A 6 7.836 -8.627 -7.814 1.00 11.04 H new ATOM 0 HG2 GLU A 6 7.918 -7.601 -9.995 1.00 5.12 H new ATOM 0 HG3 GLU A 6 6.841 -6.630 -9.011 1.00 5.12 H new ATOM 99 N ALA A 7 6.192 -7.819 -5.431 1.00 31.24 N ATOM 100 CA ALA A 7 4.822 -7.936 -4.949 1.00 25.24 C ATOM 101 C ALA A 7 4.533 -6.834 -3.938 1.00 52.54 C ATOM 102 O ALA A 7 3.520 -6.164 -4.033 1.00 64.52 O ATOM 103 CB ALA A 7 4.616 -9.317 -4.318 1.00 4.41 C ATOM 0 H ALA A 7 6.787 -8.590 -5.127 1.00 31.24 H new ATOM 0 HA ALA A 7 4.131 -7.827 -5.785 1.00 25.24 H new ATOM 0 HB1 ALA A 7 3.591 -9.403 -3.958 1.00 4.41 H new ATOM 0 HB2 ALA A 7 4.805 -10.089 -5.063 1.00 4.41 H new ATOM 0 HB3 ALA A 7 5.306 -9.442 -3.483 1.00 4.41 H new ATOM 109 N ALA A 8 5.464 -6.646 -2.993 1.00 53.44 N ATOM 110 CA ALA A 8 5.374 -5.604 -1.961 1.00 3.01 C ATOM 111 C ALA A 8 5.322 -4.195 -2.584 1.00 71.34 C ATOM 112 O ALA A 8 4.591 -3.316 -2.109 1.00 30.43 O ATOM 113 CB ALA A 8 6.564 -5.728 -1.005 1.00 61.24 C ATOM 0 H ALA A 8 6.307 -7.217 -2.923 1.00 53.44 H new ATOM 0 HA ALA A 8 4.447 -5.747 -1.405 1.00 3.01 H new ATOM 0 HB1 ALA A 8 6.498 -4.955 -0.239 1.00 61.24 H new ATOM 0 HB2 ALA A 8 6.550 -6.710 -0.532 1.00 61.24 H new ATOM 0 HB3 ALA A 8 7.493 -5.607 -1.563 1.00 61.24 H new ATOM 119 N LYS A 9 6.096 -4.024 -3.665 1.00 60.22 N ATOM 120 CA LYS A 9 6.200 -2.764 -4.409 1.00 34.14 C ATOM 121 C LYS A 9 4.854 -2.366 -5.054 1.00 1.32 C ATOM 122 O LYS A 9 4.374 -1.239 -4.847 1.00 25.12 O ATOM 123 CB LYS A 9 7.340 -2.906 -5.455 1.00 35.33 C ATOM 124 CG LYS A 9 7.406 -1.794 -6.520 1.00 51.13 C ATOM 125 CD LYS A 9 8.742 -1.797 -7.307 1.00 74.42 C ATOM 126 CE LYS A 9 8.682 -0.935 -8.584 1.00 3.32 C ATOM 127 NZ LYS A 9 7.708 -1.495 -9.560 1.00 40.35 N ATOM 0 H LYS A 9 6.675 -4.769 -4.052 1.00 60.22 H new ATOM 0 HA LYS A 9 6.445 -1.952 -3.725 1.00 34.14 H new ATOM 0 HB2 LYS A 9 8.293 -2.936 -4.926 1.00 35.33 H new ATOM 0 HB3 LYS A 9 7.227 -3.864 -5.962 1.00 35.33 H new ATOM 0 HG2 LYS A 9 6.578 -1.916 -7.218 1.00 51.13 H new ATOM 0 HG3 LYS A 9 7.276 -0.826 -6.037 1.00 51.13 H new ATOM 0 HD2 LYS A 9 9.540 -1.429 -6.662 1.00 74.42 H new ATOM 0 HD3 LYS A 9 8.998 -2.822 -7.577 1.00 74.42 H new ATOM 0 HE2 LYS A 9 8.398 0.085 -8.326 1.00 3.32 H new ATOM 0 HE3 LYS A 9 9.671 -0.884 -9.040 1.00 3.32 H new ATOM 0 HZ1 LYS A 9 7.928 -1.140 -10.512 1.00 40.35 H new ATOM 0 HZ2 LYS A 9 7.769 -2.533 -9.555 1.00 40.35 H new ATOM 0 HZ3 LYS A 9 6.745 -1.204 -9.296 1.00 40.35 H new ATOM 141 N GLN A 10 4.234 -3.300 -5.806 1.00 64.45 N ATOM 142 CA GLN A 10 2.927 -3.053 -6.458 1.00 32.34 C ATOM 143 C GLN A 10 1.787 -3.033 -5.432 1.00 21.34 C ATOM 144 O GLN A 10 0.747 -2.428 -5.683 1.00 41.30 O ATOM 145 CB GLN A 10 2.631 -4.106 -7.555 1.00 20.43 C ATOM 146 CG GLN A 10 2.596 -5.564 -7.061 1.00 55.24 C ATOM 147 CD GLN A 10 2.364 -6.573 -8.181 1.00 52.13 C ATOM 148 OE1 GLN A 10 1.104 -6.882 -8.467 1.00 14.44 O flip ATOM 149 NE2 GLN A 10 3.316 -7.067 -8.794 1.00 15.14 N flip ATOM 0 H GLN A 10 4.615 -4.230 -5.977 1.00 64.45 H new ATOM 0 HA GLN A 10 2.988 -2.072 -6.930 1.00 32.34 H new ATOM 0 HB2 GLN A 10 1.671 -3.870 -8.015 1.00 20.43 H new ATOM 0 HB3 GLN A 10 3.388 -4.020 -8.335 1.00 20.43 H new ATOM 0 HG2 GLN A 10 3.538 -5.795 -6.563 1.00 55.24 H new ATOM 0 HG3 GLN A 10 1.807 -5.670 -6.316 1.00 55.24 H new ATOM 0 HE21 GLN A 10 4.271 -6.807 -8.548 1.00 15.14 H new ATOM 0 HE22 GLN A 10 3.147 -7.735 -9.546 1.00 15.14 H new ATOM 158 N ALA A 11 2.001 -3.715 -4.285 1.00 13.11 N ATOM 159 CA ALA A 11 1.033 -3.775 -3.186 1.00 32.43 C ATOM 160 C ALA A 11 0.841 -2.394 -2.578 1.00 33.12 C ATOM 161 O ALA A 11 -0.290 -1.978 -2.357 1.00 53.03 O ATOM 162 CB ALA A 11 1.478 -4.773 -2.106 1.00 4.00 C ATOM 0 H ALA A 11 2.857 -4.239 -4.102 1.00 13.11 H new ATOM 0 HA ALA A 11 0.083 -4.120 -3.593 1.00 32.43 H new ATOM 0 HB1 ALA A 11 0.740 -4.795 -1.304 1.00 4.00 H new ATOM 0 HB2 ALA A 11 1.568 -5.767 -2.544 1.00 4.00 H new ATOM 0 HB3 ALA A 11 2.443 -4.466 -1.702 1.00 4.00 H new ATOM 168 N ALA A 12 1.975 -1.691 -2.347 1.00 72.12 N ATOM 169 CA ALA A 12 1.980 -0.323 -1.817 1.00 5.40 C ATOM 170 C ALA A 12 1.152 0.610 -2.712 1.00 70.11 C ATOM 171 O ALA A 12 0.196 1.232 -2.241 1.00 25.55 O ATOM 172 CB ALA A 12 3.424 0.188 -1.682 1.00 4.22 C ATOM 0 H ALA A 12 2.908 -2.064 -2.526 1.00 72.12 H new ATOM 0 HA ALA A 12 1.522 -0.332 -0.828 1.00 5.40 H new ATOM 0 HB1 ALA A 12 3.415 1.204 -1.288 1.00 4.22 H new ATOM 0 HB2 ALA A 12 3.977 -0.460 -1.002 1.00 4.22 H new ATOM 0 HB3 ALA A 12 3.905 0.183 -2.660 1.00 4.22 H new ATOM 178 N ILE A 13 1.496 0.626 -4.018 1.00 30.52 N ATOM 179 CA ILE A 13 0.842 1.483 -5.029 1.00 72.34 C ATOM 180 C ILE A 13 -0.671 1.167 -5.124 1.00 44.34 C ATOM 181 O ILE A 13 -1.491 2.083 -5.189 1.00 61.41 O ATOM 182 CB ILE A 13 1.521 1.311 -6.448 1.00 13.44 C ATOM 183 CG1 ILE A 13 3.065 1.563 -6.347 1.00 65.23 C ATOM 184 CG2 ILE A 13 0.870 2.244 -7.507 1.00 34.44 C ATOM 185 CD1 ILE A 13 3.838 1.355 -7.645 1.00 45.31 C ATOM 0 H ILE A 13 2.239 0.042 -4.402 1.00 30.52 H new ATOM 0 HA ILE A 13 0.964 2.518 -4.711 1.00 72.34 H new ATOM 0 HB ILE A 13 1.359 0.285 -6.778 1.00 13.44 H new ATOM 0 HG12 ILE A 13 3.230 2.584 -6.003 1.00 65.23 H new ATOM 0 HG13 ILE A 13 3.477 0.900 -5.586 1.00 65.23 H new ATOM 0 HG21 ILE A 13 1.361 2.100 -8.470 1.00 34.44 H new ATOM 0 HG22 ILE A 13 -0.189 2.005 -7.600 1.00 34.44 H new ATOM 0 HG23 ILE A 13 0.982 3.282 -7.195 1.00 34.44 H new ATOM 0 HD11 ILE A 13 4.896 1.553 -7.474 1.00 45.31 H new ATOM 0 HD12 ILE A 13 3.711 0.327 -7.983 1.00 45.31 H new ATOM 0 HD13 ILE A 13 3.460 2.037 -8.407 1.00 45.31 H new ATOM 197 N ALA A 14 -1.009 -0.143 -5.085 1.00 42.34 N ATOM 198 CA ALA A 14 -2.397 -0.640 -5.175 1.00 14.11 C ATOM 199 C ALA A 14 -3.234 -0.193 -3.974 1.00 63.13 C ATOM 200 O ALA A 14 -4.412 0.144 -4.126 1.00 24.43 O ATOM 201 CB ALA A 14 -2.403 -2.171 -5.281 1.00 23.12 C ATOM 0 H ALA A 14 -0.319 -0.888 -4.989 1.00 42.34 H new ATOM 0 HA ALA A 14 -2.846 -0.214 -6.072 1.00 14.11 H new ATOM 0 HB1 ALA A 14 -3.431 -2.527 -5.347 1.00 23.12 H new ATOM 0 HB2 ALA A 14 -1.855 -2.476 -6.173 1.00 23.12 H new ATOM 0 HB3 ALA A 14 -1.927 -2.599 -4.399 1.00 23.12 H new ATOM 207 N ILE A 15 -2.593 -0.180 -2.791 1.00 43.42 N ATOM 208 CA ILE A 15 -3.203 0.283 -1.541 1.00 54.01 C ATOM 209 C ILE A 15 -3.608 1.764 -1.655 1.00 53.20 C ATOM 210 O ILE A 15 -4.675 2.148 -1.181 1.00 4.32 O ATOM 211 CB ILE A 15 -2.235 0.003 -0.303 1.00 24.32 C ATOM 212 CG1 ILE A 15 -2.251 -1.530 0.038 1.00 40.45 C ATOM 213 CG2 ILE A 15 -2.564 0.866 0.945 1.00 31.31 C ATOM 214 CD1 ILE A 15 -1.304 -1.975 1.145 1.00 51.24 C ATOM 0 H ILE A 15 -1.629 -0.494 -2.680 1.00 43.42 H new ATOM 0 HA ILE A 15 -4.117 -0.283 -1.359 1.00 54.01 H new ATOM 0 HB ILE A 15 -1.229 0.300 -0.601 1.00 24.32 H new ATOM 0 HG12 ILE A 15 -3.266 -1.809 0.321 1.00 40.45 H new ATOM 0 HG13 ILE A 15 -2.008 -2.086 -0.867 1.00 40.45 H new ATOM 0 HG21 ILE A 15 -1.868 0.624 1.748 1.00 31.31 H new ATOM 0 HG22 ILE A 15 -2.473 1.922 0.691 1.00 31.31 H new ATOM 0 HG23 ILE A 15 -3.582 0.658 1.273 1.00 31.31 H new ATOM 0 HD11 ILE A 15 -1.399 -3.050 1.295 1.00 51.24 H new ATOM 0 HD12 ILE A 15 -0.278 -1.738 0.863 1.00 51.24 H new ATOM 0 HD13 ILE A 15 -1.556 -1.456 2.070 1.00 51.24 H new ATOM 226 N PHE A 16 -2.784 2.563 -2.349 1.00 70.23 N ATOM 227 CA PHE A 16 -3.029 4.007 -2.521 1.00 24.33 C ATOM 228 C PHE A 16 -4.041 4.277 -3.649 1.00 11.12 C ATOM 229 O PHE A 16 -4.780 5.262 -3.589 1.00 23.20 O ATOM 230 CB PHE A 16 -1.697 4.750 -2.778 1.00 34.14 C ATOM 231 CG PHE A 16 -0.646 4.477 -1.705 1.00 73.34 C ATOM 232 CD1 PHE A 16 -0.990 4.460 -0.350 1.00 0.34 C ATOM 233 CD2 PHE A 16 0.677 4.225 -2.049 1.00 43.50 C ATOM 234 CE1 PHE A 16 -0.042 4.197 0.616 1.00 11.41 C ATOM 235 CE2 PHE A 16 1.616 3.968 -1.084 1.00 0.15 C ATOM 236 CZ PHE A 16 1.261 3.952 0.246 1.00 22.01 C ATOM 0 H PHE A 16 -1.934 2.232 -2.805 1.00 70.23 H new ATOM 0 HA PHE A 16 -3.465 4.389 -1.598 1.00 24.33 H new ATOM 0 HB2 PHE A 16 -1.303 4.452 -3.749 1.00 34.14 H new ATOM 0 HB3 PHE A 16 -1.889 5.822 -2.827 1.00 34.14 H new ATOM 0 HD1 PHE A 16 -2.011 4.655 -0.056 1.00 0.34 H new ATOM 0 HD2 PHE A 16 0.969 4.232 -3.089 1.00 43.50 H new ATOM 0 HE1 PHE A 16 -0.321 4.183 1.659 1.00 11.41 H new ATOM 0 HE2 PHE A 16 2.640 3.777 -1.369 1.00 0.15 H new ATOM 0 HZ PHE A 16 2.006 3.747 1.000 1.00 22.01 H new ATOM 246 N GLN A 17 -4.074 3.381 -4.666 1.00 74.33 N ATOM 247 CA GLN A 17 -5.060 3.437 -5.768 1.00 51.31 C ATOM 248 C GLN A 17 -6.470 3.159 -5.234 1.00 42.24 C ATOM 249 O GLN A 17 -7.445 3.750 -5.707 1.00 4.23 O ATOM 250 CB GLN A 17 -4.691 2.437 -6.899 1.00 41.03 C ATOM 251 CG GLN A 17 -3.402 2.805 -7.655 1.00 51.31 C ATOM 252 CD GLN A 17 -3.013 1.779 -8.714 1.00 65.13 C ATOM 253 OE1 GLN A 17 -2.210 0.793 -8.343 1.00 2.33 O flip ATOM 254 NE2 GLN A 17 -3.428 1.874 -9.864 1.00 61.22 N flip ATOM 0 H GLN A 17 -3.419 2.603 -4.743 1.00 74.33 H new ATOM 0 HA GLN A 17 -5.041 4.441 -6.193 1.00 51.31 H new ATOM 0 HB2 GLN A 17 -4.578 1.442 -6.469 1.00 41.03 H new ATOM 0 HB3 GLN A 17 -5.516 2.385 -7.609 1.00 41.03 H new ATOM 0 HG2 GLN A 17 -3.532 3.777 -8.131 1.00 51.31 H new ATOM 0 HG3 GLN A 17 -2.586 2.907 -6.940 1.00 51.31 H new ATOM 0 HE21 GLN A 17 -4.045 2.644 -10.121 1.00 61.22 H new ATOM 0 HE22 GLN A 17 -3.156 1.183 -10.563 1.00 61.22 H new ATOM 263 N LEU A 18 -6.554 2.262 -4.230 1.00 21.35 N ATOM 264 CA LEU A 18 -7.794 2.023 -3.485 1.00 61.53 C ATOM 265 C LEU A 18 -8.108 3.221 -2.584 1.00 32.52 C ATOM 266 O LEU A 18 -9.219 3.708 -2.617 1.00 51.42 O ATOM 267 CB LEU A 18 -7.725 0.721 -2.647 1.00 73.00 C ATOM 268 CG LEU A 18 -7.825 -0.611 -3.447 1.00 53.11 C ATOM 269 CD1 LEU A 18 -7.665 -1.832 -2.526 1.00 4.44 C ATOM 270 CD2 LEU A 18 -9.152 -0.688 -4.241 1.00 4.14 C ATOM 0 H LEU A 18 -5.768 1.691 -3.920 1.00 21.35 H new ATOM 0 HA LEU A 18 -8.597 1.900 -4.212 1.00 61.53 H new ATOM 0 HB2 LEU A 18 -6.787 0.719 -2.092 1.00 73.00 H new ATOM 0 HB3 LEU A 18 -8.530 0.742 -1.912 1.00 73.00 H new ATOM 0 HG LEU A 18 -7.003 -0.625 -4.163 1.00 53.11 H new ATOM 0 HD11 LEU A 18 -7.740 -2.745 -3.116 1.00 4.44 H new ATOM 0 HD12 LEU A 18 -6.691 -1.794 -2.038 1.00 4.44 H new ATOM 0 HD13 LEU A 18 -8.450 -1.823 -1.770 1.00 4.44 H new ATOM 0 HD21 LEU A 18 -9.194 -1.629 -4.790 1.00 4.14 H new ATOM 0 HD22 LEU A 18 -9.993 -0.633 -3.550 1.00 4.14 H new ATOM 0 HD23 LEU A 18 -9.205 0.144 -4.943 1.00 4.14 H new ATOM 282 N TRP A 19 -7.102 3.715 -1.831 1.00 42.33 N ATOM 283 CA TRP A 19 -7.267 4.841 -0.875 1.00 31.22 C ATOM 284 C TRP A 19 -7.817 6.133 -1.543 1.00 13.01 C ATOM 285 O TRP A 19 -8.459 6.952 -0.872 1.00 53.02 O ATOM 286 CB TRP A 19 -5.929 5.133 -0.135 1.00 33.13 C ATOM 287 CG TRP A 19 -5.599 4.227 1.030 1.00 61.11 C ATOM 288 CD1 TRP A 19 -6.248 3.089 1.430 1.00 52.02 C ATOM 289 CD2 TRP A 19 -4.528 4.421 1.959 1.00 3.44 C ATOM 290 NE1 TRP A 19 -5.630 2.563 2.536 1.00 63.25 N ATOM 291 CE2 TRP A 19 -4.576 3.365 2.885 1.00 44.14 C ATOM 292 CE3 TRP A 19 -3.532 5.395 2.095 1.00 42.31 C ATOM 293 CZ2 TRP A 19 -3.665 3.249 3.929 1.00 72.23 C ATOM 294 CZ3 TRP A 19 -2.624 5.281 3.130 1.00 64.33 C ATOM 295 CH2 TRP A 19 -2.699 4.215 4.038 1.00 64.11 C ATOM 0 H TRP A 19 -6.151 3.347 -1.866 1.00 42.33 H new ATOM 0 HA TRP A 19 -8.016 4.524 -0.149 1.00 31.22 H new ATOM 0 HB2 TRP A 19 -5.116 5.070 -0.859 1.00 33.13 H new ATOM 0 HB3 TRP A 19 -5.955 6.161 0.227 1.00 33.13 H new ATOM 0 HD1 TRP A 19 -7.117 2.668 0.946 1.00 52.02 H new ATOM 0 HE1 TRP A 19 -5.911 1.711 3.021 1.00 63.25 H new ATOM 0 HE3 TRP A 19 -3.474 6.222 1.402 1.00 42.31 H new ATOM 0 HZ2 TRP A 19 -3.717 2.428 4.628 1.00 72.23 H new ATOM 0 HZ3 TRP A 19 -1.847 6.022 3.241 1.00 64.33 H new ATOM 0 HH2 TRP A 19 -1.979 4.154 4.841 1.00 64.11 H new ATOM 306 N LYS A 20 -7.564 6.304 -2.858 1.00 44.12 N ATOM 307 CA LYS A 20 -8.085 7.455 -3.633 1.00 31.42 C ATOM 308 C LYS A 20 -9.321 7.067 -4.489 1.00 23.44 C ATOM 309 O LYS A 20 -10.061 7.952 -4.949 1.00 64.14 O ATOM 310 CB LYS A 20 -6.951 8.058 -4.511 1.00 4.31 C ATOM 311 CG LYS A 20 -6.412 7.124 -5.624 1.00 61.03 C ATOM 312 CD LYS A 20 -5.094 7.639 -6.261 1.00 71.41 C ATOM 313 CE LYS A 20 -5.257 8.997 -6.970 1.00 70.23 C ATOM 314 NZ LYS A 20 -3.958 9.547 -7.433 1.00 42.03 N ATOM 0 H LYS A 20 -7.000 5.657 -3.409 1.00 44.12 H new ATOM 0 HA LYS A 20 -8.423 8.215 -2.928 1.00 31.42 H new ATOM 0 HB2 LYS A 20 -7.319 8.974 -4.974 1.00 4.31 H new ATOM 0 HB3 LYS A 20 -6.122 8.340 -3.862 1.00 4.31 H new ATOM 0 HG2 LYS A 20 -6.244 6.131 -5.208 1.00 61.03 H new ATOM 0 HG3 LYS A 20 -7.169 7.020 -6.402 1.00 61.03 H new ATOM 0 HD2 LYS A 20 -4.334 7.730 -5.485 1.00 71.41 H new ATOM 0 HD3 LYS A 20 -4.732 6.902 -6.978 1.00 71.41 H new ATOM 0 HE2 LYS A 20 -5.926 8.882 -7.823 1.00 70.23 H new ATOM 0 HE3 LYS A 20 -5.728 9.706 -6.289 1.00 70.23 H new ATOM 0 HZ1 LYS A 20 -4.126 10.399 -8.006 1.00 42.03 H new ATOM 0 HZ2 LYS A 20 -3.372 9.793 -6.610 1.00 42.03 H new ATOM 0 HZ3 LYS A 20 -3.465 8.835 -8.008 1.00 42.03 H new ATOM 328 N ASN A 21 -9.539 5.745 -4.687 1.00 11.03 N ATOM 329 CA ASN A 21 -10.676 5.200 -5.467 1.00 44.31 C ATOM 330 C ASN A 21 -10.968 3.735 -5.003 1.00 21.31 C ATOM 331 O ASN A 21 -10.363 2.793 -5.529 1.00 75.54 O ATOM 332 CB ASN A 21 -10.368 5.273 -6.996 1.00 72.43 C ATOM 333 CG ASN A 21 -11.498 4.727 -7.878 1.00 65.22 C ATOM 334 OD1 ASN A 21 -11.446 3.448 -8.211 1.00 13.30 O flip ATOM 335 ND2 ASN A 21 -12.412 5.451 -8.261 1.00 34.01 N flip ATOM 0 H ASN A 21 -8.927 5.022 -4.308 1.00 11.03 H new ATOM 0 HA ASN A 21 -11.568 5.799 -5.287 1.00 44.31 H new ATOM 0 HB2 ASN A 21 -10.174 6.310 -7.270 1.00 72.43 H new ATOM 0 HB3 ASN A 21 -9.456 4.713 -7.201 1.00 72.43 H new ATOM 0 HD21 ASN A 21 -12.431 6.434 -7.991 1.00 34.01 H new ATOM 0 HD22 ASN A 21 -13.153 5.069 -8.849 1.00 34.01 H new ATOM 342 N PRO A 22 -11.864 3.534 -3.958 1.00 14.21 N ATOM 343 CA PRO A 22 -12.148 2.187 -3.341 1.00 73.23 C ATOM 344 C PRO A 22 -12.700 1.156 -4.339 1.00 74.03 C ATOM 345 O PRO A 22 -12.583 -0.058 -4.132 1.00 2.23 O ATOM 346 CB PRO A 22 -13.219 2.510 -2.248 1.00 4.02 C ATOM 347 CG PRO A 22 -13.801 3.835 -2.656 1.00 64.11 C ATOM 348 CD PRO A 22 -12.651 4.597 -3.280 1.00 15.33 C ATOM 0 HA PRO A 22 -11.236 1.730 -2.958 1.00 73.23 H new ATOM 0 HB2 PRO A 22 -13.987 1.737 -2.207 1.00 4.02 H new ATOM 0 HB3 PRO A 22 -12.768 2.565 -1.257 1.00 4.02 H new ATOM 0 HG2 PRO A 22 -14.618 3.705 -3.365 1.00 64.11 H new ATOM 0 HG3 PRO A 22 -14.207 4.368 -1.797 1.00 64.11 H new ATOM 0 HD2 PRO A 22 -13.003 5.349 -3.986 1.00 15.33 H new ATOM 0 HD3 PRO A 22 -12.059 5.118 -2.528 1.00 15.33 H new ATOM 356 N THR A 23 -13.291 1.671 -5.417 1.00 62.54 N ATOM 357 CA THR A 23 -13.993 0.882 -6.420 1.00 51.42 C ATOM 358 C THR A 23 -13.026 0.235 -7.443 1.00 1.10 C ATOM 359 O THR A 23 -13.480 -0.504 -8.323 1.00 14.32 O ATOM 360 CB THR A 23 -15.028 1.802 -7.150 1.00 44.41 C ATOM 361 OG1 THR A 23 -14.348 2.939 -7.717 1.00 43.45 O ATOM 362 CG2 THR A 23 -16.133 2.304 -6.193 1.00 32.22 C ATOM 0 H THR A 23 -13.293 2.671 -5.618 1.00 62.54 H new ATOM 0 HA THR A 23 -14.505 0.063 -5.916 1.00 51.42 H new ATOM 0 HB THR A 23 -15.500 1.208 -7.932 1.00 44.41 H new ATOM 0 HG1 THR A 23 -13.381 2.783 -7.700 1.00 43.45 H new ATOM 0 HG21 THR A 23 -16.829 2.939 -6.742 1.00 32.22 H new ATOM 0 HG22 THR A 23 -16.670 1.451 -5.778 1.00 32.22 H new ATOM 0 HG23 THR A 23 -15.681 2.877 -5.384 1.00 32.22 H new ATOM 370 N ASP A 24 -11.701 0.507 -7.318 1.00 21.34 N ATOM 371 CA ASP A 24 -10.680 -0.016 -8.255 1.00 62.22 C ATOM 372 C ASP A 24 -10.575 -1.554 -8.114 1.00 53.35 C ATOM 373 O ASP A 24 -10.142 -2.039 -7.057 1.00 10.25 O ATOM 374 CB ASP A 24 -9.295 0.645 -7.999 1.00 32.01 C ATOM 375 CG ASP A 24 -8.315 0.429 -9.170 1.00 73.23 C ATOM 376 OD1 ASP A 24 -7.777 -0.685 -9.319 1.00 21.11 O ATOM 377 OD2 ASP A 24 -8.115 1.362 -9.971 1.00 54.31 O ATOM 0 H ASP A 24 -11.317 1.088 -6.573 1.00 21.34 H new ATOM 0 HA ASP A 24 -10.987 0.231 -9.271 1.00 62.22 H new ATOM 0 HB2 ASP A 24 -9.430 1.714 -7.835 1.00 32.01 H new ATOM 0 HB3 ASP A 24 -8.863 0.234 -7.087 1.00 32.01 H new ATOM 382 N PRO A 25 -10.965 -2.342 -9.166 1.00 42.05 N ATOM 383 CA PRO A 25 -10.972 -3.816 -9.089 1.00 12.40 C ATOM 384 C PRO A 25 -9.562 -4.431 -9.256 1.00 21.31 C ATOM 385 O PRO A 25 -9.285 -5.492 -8.702 1.00 14.44 O ATOM 386 CB PRO A 25 -11.922 -4.209 -10.244 1.00 51.21 C ATOM 387 CG PRO A 25 -11.728 -3.137 -11.281 1.00 61.43 C ATOM 388 CD PRO A 25 -11.424 -1.857 -10.508 1.00 23.44 C ATOM 0 HA PRO A 25 -11.295 -4.188 -8.117 1.00 12.40 H new ATOM 0 HB2 PRO A 25 -11.676 -5.194 -10.642 1.00 51.21 H new ATOM 0 HB3 PRO A 25 -12.958 -4.251 -9.907 1.00 51.21 H new ATOM 0 HG2 PRO A 25 -10.910 -3.390 -11.955 1.00 61.43 H new ATOM 0 HG3 PRO A 25 -12.622 -3.020 -11.894 1.00 61.43 H new ATOM 0 HD2 PRO A 25 -10.654 -1.265 -11.003 1.00 23.44 H new ATOM 0 HD3 PRO A 25 -12.307 -1.223 -10.423 1.00 23.44 H new ATOM 396 N GLU A 26 -8.679 -3.729 -9.993 1.00 43.41 N ATOM 397 CA GLU A 26 -7.329 -4.218 -10.328 1.00 63.54 C ATOM 398 C GLU A 26 -6.422 -4.247 -9.082 1.00 42.41 C ATOM 399 O GLU A 26 -5.668 -5.207 -8.867 1.00 31.30 O ATOM 400 CB GLU A 26 -6.706 -3.317 -11.427 1.00 40.43 C ATOM 401 CG GLU A 26 -7.455 -3.344 -12.784 1.00 1.45 C ATOM 402 CD GLU A 26 -7.280 -4.666 -13.554 1.00 62.41 C ATOM 403 OE1 GLU A 26 -6.298 -4.796 -14.316 1.00 73.13 O ATOM 404 OE2 GLU A 26 -8.086 -5.600 -13.365 1.00 53.12 O ATOM 0 H GLU A 26 -8.883 -2.805 -10.373 1.00 43.41 H new ATOM 0 HA GLU A 26 -7.414 -5.238 -10.702 1.00 63.54 H new ATOM 0 HB2 GLU A 26 -6.677 -2.290 -11.063 1.00 40.43 H new ATOM 0 HB3 GLU A 26 -5.674 -3.627 -11.590 1.00 40.43 H new ATOM 0 HG2 GLU A 26 -8.517 -3.173 -12.608 1.00 1.45 H new ATOM 0 HG3 GLU A 26 -7.098 -2.521 -13.404 1.00 1.45 H new ATOM 411 N ALA A 27 -6.549 -3.186 -8.264 1.00 43.41 N ATOM 412 CA ALA A 27 -5.724 -2.959 -7.074 1.00 21.40 C ATOM 413 C ALA A 27 -6.018 -4.007 -5.988 1.00 62.01 C ATOM 414 O ALA A 27 -5.101 -4.666 -5.493 1.00 5.41 O ATOM 415 CB ALA A 27 -5.965 -1.528 -6.553 1.00 53.55 C ATOM 0 H ALA A 27 -7.241 -2.453 -8.418 1.00 43.41 H new ATOM 0 HA ALA A 27 -4.673 -3.065 -7.342 1.00 21.40 H new ATOM 0 HB1 ALA A 27 -5.353 -1.355 -5.668 1.00 53.55 H new ATOM 0 HB2 ALA A 27 -5.695 -0.809 -7.327 1.00 53.55 H new ATOM 0 HB3 ALA A 27 -7.017 -1.407 -6.296 1.00 53.55 H new ATOM 421 N GLN A 28 -7.315 -4.175 -5.661 1.00 32.44 N ATOM 422 CA GLN A 28 -7.765 -5.128 -4.623 1.00 13.43 C ATOM 423 C GLN A 28 -7.550 -6.601 -5.053 1.00 71.10 C ATOM 424 O GLN A 28 -7.351 -7.466 -4.198 1.00 53.31 O ATOM 425 CB GLN A 28 -9.254 -4.870 -4.254 1.00 12.33 C ATOM 426 CG GLN A 28 -10.233 -4.944 -5.438 1.00 2.23 C ATOM 427 CD GLN A 28 -11.679 -4.628 -5.056 1.00 53.10 C ATOM 428 OE1 GLN A 28 -12.451 -5.519 -4.707 1.00 72.22 O ATOM 429 NE2 GLN A 28 -12.055 -3.354 -5.100 1.00 13.40 N ATOM 0 H GLN A 28 -8.075 -3.659 -6.104 1.00 32.44 H new ATOM 0 HA GLN A 28 -7.152 -4.960 -3.738 1.00 13.43 H new ATOM 0 HB2 GLN A 28 -9.559 -5.598 -3.502 1.00 12.33 H new ATOM 0 HB3 GLN A 28 -9.335 -3.885 -3.795 1.00 12.33 H new ATOM 0 HG2 GLN A 28 -9.909 -4.247 -6.211 1.00 2.23 H new ATOM 0 HG3 GLN A 28 -10.191 -5.943 -5.872 1.00 2.23 H new ATOM 0 HE21 GLN A 28 -11.392 -2.636 -5.394 1.00 13.40 H new ATOM 0 HE22 GLN A 28 -13.006 -3.094 -4.840 1.00 13.40 H new ATOM 438 N GLU A 29 -7.580 -6.863 -6.382 1.00 22.35 N ATOM 439 CA GLU A 29 -7.403 -8.225 -6.926 1.00 33.24 C ATOM 440 C GLU A 29 -5.955 -8.701 -6.748 1.00 10.02 C ATOM 441 O GLU A 29 -5.730 -9.812 -6.265 1.00 1.35 O ATOM 442 CB GLU A 29 -7.818 -8.290 -8.420 1.00 62.30 C ATOM 443 CG GLU A 29 -7.815 -9.718 -9.011 1.00 32.41 C ATOM 444 CD GLU A 29 -8.222 -9.764 -10.493 1.00 35.32 C ATOM 445 OE1 GLU A 29 -9.435 -9.702 -10.788 1.00 35.33 O ATOM 446 OE2 GLU A 29 -7.336 -9.852 -11.371 1.00 2.13 O ATOM 0 H GLU A 29 -7.725 -6.147 -7.094 1.00 22.35 H new ATOM 0 HA GLU A 29 -8.056 -8.894 -6.365 1.00 33.24 H new ATOM 0 HB2 GLU A 29 -8.816 -7.865 -8.528 1.00 62.30 H new ATOM 0 HB3 GLU A 29 -7.141 -7.665 -9.002 1.00 62.30 H new ATOM 0 HG2 GLU A 29 -6.819 -10.147 -8.902 1.00 32.41 H new ATOM 0 HG3 GLU A 29 -8.497 -10.344 -8.435 1.00 32.41 H new ATOM 453 N LEU A 30 -4.969 -7.837 -7.108 1.00 20.32 N ATOM 454 CA LEU A 30 -3.545 -8.185 -6.980 1.00 3.33 C ATOM 455 C LEU A 30 -3.168 -8.347 -5.491 1.00 41.13 C ATOM 456 O LEU A 30 -2.350 -9.209 -5.147 1.00 2.13 O ATOM 457 CB LEU A 30 -2.621 -7.173 -7.752 1.00 60.31 C ATOM 458 CG LEU A 30 -2.460 -5.689 -7.220 1.00 53.51 C ATOM 459 CD1 LEU A 30 -1.403 -5.575 -6.089 1.00 43.44 C ATOM 460 CD2 LEU A 30 -2.115 -4.710 -8.367 1.00 74.53 C ATOM 0 H LEU A 30 -5.141 -6.905 -7.485 1.00 20.32 H new ATOM 0 HA LEU A 30 -3.376 -9.149 -7.460 1.00 3.33 H new ATOM 0 HB2 LEU A 30 -1.624 -7.612 -7.797 1.00 60.31 H new ATOM 0 HB3 LEU A 30 -2.989 -7.113 -8.776 1.00 60.31 H new ATOM 0 HG LEU A 30 -3.427 -5.412 -6.800 1.00 53.51 H new ATOM 0 HD11 LEU A 30 -1.332 -4.538 -5.761 1.00 43.44 H new ATOM 0 HD12 LEU A 30 -1.700 -6.202 -5.249 1.00 43.44 H new ATOM 0 HD13 LEU A 30 -0.433 -5.904 -6.463 1.00 43.44 H new ATOM 0 HD21 LEU A 30 -2.012 -3.702 -7.966 1.00 74.53 H new ATOM 0 HD22 LEU A 30 -1.178 -5.012 -8.834 1.00 74.53 H new ATOM 0 HD23 LEU A 30 -2.912 -4.725 -9.110 1.00 74.53 H new ATOM 472 N LEU A 31 -3.827 -7.539 -4.618 1.00 23.42 N ATOM 473 CA LEU A 31 -3.649 -7.597 -3.149 1.00 24.40 C ATOM 474 C LEU A 31 -4.115 -8.950 -2.570 1.00 71.10 C ATOM 475 O LEU A 31 -3.600 -9.380 -1.550 1.00 2.42 O ATOM 476 CB LEU A 31 -4.395 -6.427 -2.437 1.00 63.21 C ATOM 477 CG LEU A 31 -3.763 -5.009 -2.589 1.00 0.33 C ATOM 478 CD1 LEU A 31 -4.637 -3.930 -1.916 1.00 52.33 C ATOM 479 CD2 LEU A 31 -2.326 -4.981 -2.022 1.00 32.24 C ATOM 0 H LEU A 31 -4.496 -6.830 -4.917 1.00 23.42 H new ATOM 0 HA LEU A 31 -2.581 -7.494 -2.959 1.00 24.40 H new ATOM 0 HB2 LEU A 31 -5.415 -6.389 -2.819 1.00 63.21 H new ATOM 0 HB3 LEU A 31 -4.461 -6.660 -1.374 1.00 63.21 H new ATOM 0 HG LEU A 31 -3.714 -4.782 -3.654 1.00 0.33 H new ATOM 0 HD11 LEU A 31 -4.169 -2.953 -2.040 1.00 52.33 H new ATOM 0 HD12 LEU A 31 -5.624 -3.921 -2.379 1.00 52.33 H new ATOM 0 HD13 LEU A 31 -4.736 -4.153 -0.854 1.00 52.33 H new ATOM 0 HD21 LEU A 31 -1.908 -3.981 -2.140 1.00 32.24 H new ATOM 0 HD22 LEU A 31 -2.347 -5.243 -0.964 1.00 32.24 H new ATOM 0 HD23 LEU A 31 -1.708 -5.699 -2.561 1.00 32.24 H new ATOM 491 N ASN A 32 -5.095 -9.607 -3.221 1.00 4.05 N ATOM 492 CA ASN A 32 -5.526 -10.972 -2.836 1.00 42.04 C ATOM 493 C ASN A 32 -4.416 -11.977 -3.173 1.00 51.35 C ATOM 494 O ASN A 32 -4.103 -12.879 -2.388 1.00 70.31 O ATOM 495 CB ASN A 32 -6.833 -11.361 -3.586 1.00 43.30 C ATOM 496 CG ASN A 32 -7.516 -12.640 -3.055 1.00 45.52 C ATOM 497 OD1 ASN A 32 -6.892 -13.531 -2.483 1.00 41.51 O ATOM 498 ND2 ASN A 32 -8.818 -12.733 -3.244 1.00 62.35 N ATOM 0 H ASN A 32 -5.604 -9.218 -4.015 1.00 4.05 H new ATOM 0 HA ASN A 32 -5.720 -10.990 -1.764 1.00 42.04 H new ATOM 0 HB2 ASN A 32 -7.537 -10.532 -3.517 1.00 43.30 H new ATOM 0 HB3 ASN A 32 -6.604 -11.498 -4.643 1.00 43.30 H new ATOM 0 HD21 ASN A 32 -9.324 -13.555 -2.913 1.00 62.35 H new ATOM 0 HD22 ASN A 32 -9.319 -11.983 -3.721 1.00 62.35 H new ATOM 505 N LYS A 33 -3.819 -11.772 -4.349 1.00 23.05 N ATOM 506 CA LYS A 33 -2.872 -12.711 -4.952 1.00 34.43 C ATOM 507 C LYS A 33 -1.498 -12.690 -4.245 1.00 53.02 C ATOM 508 O LYS A 33 -0.759 -13.667 -4.332 1.00 52.13 O ATOM 509 CB LYS A 33 -2.745 -12.386 -6.466 1.00 2.22 C ATOM 510 CG LYS A 33 -4.103 -12.465 -7.229 1.00 44.41 C ATOM 511 CD LYS A 33 -4.012 -12.082 -8.724 1.00 70.34 C ATOM 512 CE LYS A 33 -3.155 -13.055 -9.555 1.00 41.24 C ATOM 513 NZ LYS A 33 -3.682 -14.454 -9.514 1.00 74.35 N ATOM 0 H LYS A 33 -3.982 -10.940 -4.916 1.00 23.05 H new ATOM 0 HA LYS A 33 -3.252 -13.725 -4.829 1.00 34.43 H new ATOM 0 HB2 LYS A 33 -2.328 -11.385 -6.582 1.00 2.22 H new ATOM 0 HB3 LYS A 33 -2.039 -13.080 -6.922 1.00 2.22 H new ATOM 0 HG2 LYS A 33 -4.494 -13.479 -7.148 1.00 44.41 H new ATOM 0 HG3 LYS A 33 -4.821 -11.807 -6.740 1.00 44.41 H new ATOM 0 HD2 LYS A 33 -5.017 -12.046 -9.144 1.00 70.34 H new ATOM 0 HD3 LYS A 33 -3.595 -11.079 -8.809 1.00 70.34 H new ATOM 0 HE2 LYS A 33 -3.120 -12.713 -10.589 1.00 41.24 H new ATOM 0 HE3 LYS A 33 -2.131 -13.044 -9.181 1.00 41.24 H new ATOM 0 HZ1 LYS A 33 -3.157 -15.043 -10.191 1.00 74.35 H new ATOM 0 HZ2 LYS A 33 -3.565 -14.841 -8.556 1.00 74.35 H new ATOM 0 HZ3 LYS A 33 -4.691 -14.452 -9.766 1.00 74.35 H new ATOM 527 N ILE A 34 -1.154 -11.585 -3.543 1.00 42.24 N ATOM 528 CA ILE A 34 0.164 -11.453 -2.848 1.00 75.25 C ATOM 529 C ILE A 34 0.008 -11.294 -1.316 1.00 14.30 C ATOM 530 O ILE A 34 0.632 -12.033 -0.538 1.00 43.23 O ATOM 531 CB ILE A 34 1.008 -10.278 -3.472 1.00 75.24 C ATOM 532 CG1 ILE A 34 0.230 -8.914 -3.441 1.00 25.11 C ATOM 533 CG2 ILE A 34 1.422 -10.647 -4.915 1.00 35.30 C ATOM 534 CD1 ILE A 34 0.843 -7.783 -4.243 1.00 44.13 C ATOM 0 H ILE A 34 -1.762 -10.772 -3.439 1.00 42.24 H new ATOM 0 HA ILE A 34 0.710 -12.383 -3.006 1.00 75.25 H new ATOM 0 HB ILE A 34 1.903 -10.142 -2.865 1.00 75.24 H new ATOM 0 HG12 ILE A 34 -0.782 -9.087 -3.808 1.00 25.11 H new ATOM 0 HG13 ILE A 34 0.142 -8.592 -2.403 1.00 25.11 H new ATOM 0 HG21 ILE A 34 2.006 -9.833 -5.345 1.00 35.30 H new ATOM 0 HG22 ILE A 34 2.023 -11.556 -4.900 1.00 35.30 H new ATOM 0 HG23 ILE A 34 0.530 -10.812 -5.519 1.00 35.30 H new ATOM 0 HD11 ILE A 34 0.222 -6.892 -4.149 1.00 44.13 H new ATOM 0 HD12 ILE A 34 1.843 -7.570 -3.866 1.00 44.13 H new ATOM 0 HD13 ILE A 34 0.905 -8.073 -5.292 1.00 44.13 H new ATOM 546 N LEU A 35 -0.829 -10.336 -0.887 1.00 0.14 N ATOM 547 CA LEU A 35 -1.201 -10.156 0.534 1.00 3.42 C ATOM 548 C LEU A 35 -2.323 -11.148 0.865 1.00 42.31 C ATOM 549 O LEU A 35 -2.935 -11.723 -0.042 1.00 54.35 O ATOM 550 CB LEU A 35 -1.679 -8.686 0.815 1.00 20.32 C ATOM 551 CG LEU A 35 -0.590 -7.607 1.129 1.00 41.12 C ATOM 552 CD1 LEU A 35 -0.058 -7.752 2.571 1.00 41.12 C ATOM 553 CD2 LEU A 35 0.565 -7.623 0.102 1.00 41.45 C ATOM 0 H LEU A 35 -1.270 -9.662 -1.513 1.00 0.14 H new ATOM 0 HA LEU A 35 -0.330 -10.342 1.162 1.00 3.42 H new ATOM 0 HB2 LEU A 35 -2.244 -8.347 -0.053 1.00 20.32 H new ATOM 0 HB3 LEU A 35 -2.372 -8.715 1.656 1.00 20.32 H new ATOM 0 HG LEU A 35 -1.075 -6.635 1.045 1.00 41.12 H new ATOM 0 HD11 LEU A 35 0.697 -6.988 2.759 1.00 41.12 H new ATOM 0 HD12 LEU A 35 -0.880 -7.630 3.276 1.00 41.12 H new ATOM 0 HD13 LEU A 35 0.386 -8.740 2.698 1.00 41.12 H new ATOM 0 HD21 LEU A 35 1.295 -6.857 0.363 1.00 41.45 H new ATOM 0 HD22 LEU A 35 1.047 -8.601 0.111 1.00 41.45 H new ATOM 0 HD23 LEU A 35 0.169 -7.423 -0.894 1.00 41.45 H new ATOM 565 N SER A 36 -2.599 -11.332 2.156 1.00 53.44 N ATOM 566 CA SER A 36 -3.759 -12.113 2.598 1.00 33.23 C ATOM 567 C SER A 36 -5.066 -11.442 2.096 1.00 10.45 C ATOM 568 O SER A 36 -5.131 -10.202 2.037 1.00 73.42 O ATOM 569 CB SER A 36 -3.746 -12.245 4.133 1.00 75.40 C ATOM 570 OG SER A 36 -2.559 -12.888 4.570 1.00 54.35 O ATOM 0 H SER A 36 -2.036 -10.951 2.916 1.00 53.44 H new ATOM 0 HA SER A 36 -3.711 -13.116 2.174 1.00 33.23 H new ATOM 0 HB2 SER A 36 -3.820 -11.258 4.589 1.00 75.40 H new ATOM 0 HB3 SER A 36 -4.616 -12.814 4.462 1.00 75.40 H new ATOM 0 HG SER A 36 -2.426 -13.713 4.057 1.00 54.35 H new ATOM 576 N PRO A 37 -6.112 -12.236 1.685 1.00 51.22 N ATOM 577 CA PRO A 37 -7.398 -11.677 1.177 1.00 4.20 C ATOM 578 C PRO A 37 -8.134 -10.778 2.212 1.00 30.03 C ATOM 579 O PRO A 37 -9.085 -10.082 1.859 1.00 0.41 O ATOM 580 CB PRO A 37 -8.222 -12.943 0.799 1.00 11.43 C ATOM 581 CG PRO A 37 -7.581 -14.073 1.561 1.00 72.14 C ATOM 582 CD PRO A 37 -6.108 -13.729 1.639 1.00 32.43 C ATOM 0 HA PRO A 37 -7.243 -11.003 0.334 1.00 4.20 H new ATOM 0 HB2 PRO A 37 -9.270 -12.827 1.074 1.00 11.43 H new ATOM 0 HB3 PRO A 37 -8.193 -13.126 -0.275 1.00 11.43 H new ATOM 0 HG2 PRO A 37 -8.014 -14.169 2.557 1.00 72.14 H new ATOM 0 HG3 PRO A 37 -7.735 -15.025 1.053 1.00 72.14 H new ATOM 0 HD2 PRO A 37 -5.640 -14.159 2.525 1.00 32.43 H new ATOM 0 HD3 PRO A 37 -5.560 -14.104 0.775 1.00 32.43 H new ATOM 590 N ASP A 38 -7.677 -10.800 3.473 1.00 44.52 N ATOM 591 CA ASP A 38 -8.177 -9.908 4.545 1.00 51.24 C ATOM 592 C ASP A 38 -7.714 -8.450 4.308 1.00 53.54 C ATOM 593 O ASP A 38 -8.467 -7.497 4.557 1.00 42.52 O ATOM 594 CB ASP A 38 -7.655 -10.396 5.922 1.00 32.32 C ATOM 595 CG ASP A 38 -7.894 -11.893 6.147 1.00 22.43 C ATOM 596 OD1 ASP A 38 -9.013 -12.275 6.562 1.00 41.02 O ATOM 597 OD2 ASP A 38 -6.977 -12.703 5.864 1.00 11.23 O ATOM 0 H ASP A 38 -6.946 -11.439 3.786 1.00 44.52 H new ATOM 0 HA ASP A 38 -9.267 -9.936 4.533 1.00 51.24 H new ATOM 0 HB2 ASP A 38 -6.588 -10.187 5.996 1.00 32.32 H new ATOM 0 HB3 ASP A 38 -8.146 -9.831 6.714 1.00 32.32 H new ATOM 602 N VAL A 39 -6.475 -8.313 3.804 1.00 35.42 N ATOM 603 CA VAL A 39 -5.770 -7.026 3.675 1.00 2.51 C ATOM 604 C VAL A 39 -6.423 -6.107 2.624 1.00 51.45 C ATOM 605 O VAL A 39 -6.502 -4.898 2.833 1.00 23.23 O ATOM 606 CB VAL A 39 -4.246 -7.251 3.341 1.00 61.51 C ATOM 607 CG1 VAL A 39 -3.476 -5.909 3.201 1.00 45.40 C ATOM 608 CG2 VAL A 39 -3.575 -8.163 4.410 1.00 0.33 C ATOM 0 H VAL A 39 -5.927 -9.106 3.470 1.00 35.42 H new ATOM 0 HA VAL A 39 -5.847 -6.524 4.639 1.00 2.51 H new ATOM 0 HB VAL A 39 -4.198 -7.754 2.375 1.00 61.51 H new ATOM 0 HG11 VAL A 39 -2.430 -6.112 2.971 1.00 45.40 H new ATOM 0 HG12 VAL A 39 -3.917 -5.319 2.397 1.00 45.40 H new ATOM 0 HG13 VAL A 39 -3.540 -5.353 4.136 1.00 45.40 H new ATOM 0 HG21 VAL A 39 -2.524 -8.305 4.159 1.00 0.33 H new ATOM 0 HG22 VAL A 39 -3.654 -7.693 5.390 1.00 0.33 H new ATOM 0 HG23 VAL A 39 -4.077 -9.130 4.430 1.00 0.33 H new ATOM 618 N LEU A 40 -6.916 -6.681 1.505 1.00 70.33 N ATOM 619 CA LEU A 40 -7.560 -5.890 0.434 1.00 14.44 C ATOM 620 C LEU A 40 -8.829 -5.179 0.960 1.00 25.41 C ATOM 621 O LEU A 40 -9.167 -4.078 0.499 1.00 45.42 O ATOM 622 CB LEU A 40 -7.872 -6.796 -0.800 1.00 40.24 C ATOM 623 CG LEU A 40 -8.982 -7.914 -0.632 1.00 71.04 C ATOM 624 CD1 LEU A 40 -10.411 -7.396 -0.946 1.00 44.14 C ATOM 625 CD2 LEU A 40 -8.664 -9.157 -1.472 1.00 51.21 C ATOM 0 H LEU A 40 -6.881 -7.684 1.320 1.00 70.33 H new ATOM 0 HA LEU A 40 -6.867 -5.114 0.109 1.00 14.44 H new ATOM 0 HB2 LEU A 40 -8.171 -6.148 -1.624 1.00 40.24 H new ATOM 0 HB3 LEU A 40 -6.945 -7.286 -1.099 1.00 40.24 H new ATOM 0 HG LEU A 40 -8.966 -8.195 0.421 1.00 71.04 H new ATOM 0 HD11 LEU A 40 -11.129 -8.206 -0.814 1.00 44.14 H new ATOM 0 HD12 LEU A 40 -10.658 -6.578 -0.269 1.00 44.14 H new ATOM 0 HD13 LEU A 40 -10.451 -7.040 -1.975 1.00 44.14 H new ATOM 0 HD21 LEU A 40 -9.447 -9.902 -1.331 1.00 51.21 H new ATOM 0 HD22 LEU A 40 -8.611 -8.881 -2.525 1.00 51.21 H new ATOM 0 HD23 LEU A 40 -7.707 -9.573 -1.158 1.00 51.21 H new ATOM 637 N ASP A 41 -9.496 -5.838 1.938 1.00 0.11 N ATOM 638 CA ASP A 41 -10.764 -5.378 2.529 1.00 35.24 C ATOM 639 C ASP A 41 -10.534 -4.087 3.324 1.00 2.11 C ATOM 640 O ASP A 41 -11.132 -3.058 3.014 1.00 1.03 O ATOM 641 CB ASP A 41 -11.370 -6.488 3.446 1.00 2.51 C ATOM 642 CG ASP A 41 -12.782 -6.153 3.979 1.00 35.32 C ATOM 643 OD1 ASP A 41 -12.906 -5.373 4.955 1.00 25.20 O ATOM 644 OD2 ASP A 41 -13.776 -6.667 3.424 1.00 41.25 O ATOM 0 H ASP A 41 -9.160 -6.713 2.339 1.00 0.11 H new ATOM 0 HA ASP A 41 -11.473 -5.172 1.727 1.00 35.24 H new ATOM 0 HB2 ASP A 41 -11.415 -7.423 2.888 1.00 2.51 H new ATOM 0 HB3 ASP A 41 -10.702 -6.653 4.291 1.00 2.51 H new ATOM 649 N GLN A 42 -9.619 -4.144 4.318 1.00 53.32 N ATOM 650 CA GLN A 42 -9.339 -3.007 5.223 1.00 40.41 C ATOM 651 C GLN A 42 -8.875 -1.755 4.451 1.00 20.13 C ATOM 652 O GLN A 42 -9.135 -0.640 4.882 1.00 60.23 O ATOM 653 CB GLN A 42 -8.273 -3.389 6.297 1.00 33.44 C ATOM 654 CG GLN A 42 -6.871 -3.716 5.736 1.00 51.04 C ATOM 655 CD GLN A 42 -5.804 -3.979 6.795 1.00 30.23 C ATOM 656 OE1 GLN A 42 -6.090 -4.457 7.894 1.00 41.10 O ATOM 657 NE2 GLN A 42 -4.551 -3.690 6.464 1.00 0.23 N ATOM 0 H GLN A 42 -9.058 -4.973 4.514 1.00 53.32 H new ATOM 0 HA GLN A 42 -10.278 -2.769 5.724 1.00 40.41 H new ATOM 0 HB2 GLN A 42 -8.182 -2.566 7.006 1.00 33.44 H new ATOM 0 HB3 GLN A 42 -8.635 -4.252 6.856 1.00 33.44 H new ATOM 0 HG2 GLN A 42 -6.948 -4.592 5.092 1.00 51.04 H new ATOM 0 HG3 GLN A 42 -6.544 -2.887 5.108 1.00 51.04 H new ATOM 0 HE21 GLN A 42 -4.344 -3.295 5.547 1.00 0.23 H new ATOM 0 HE22 GLN A 42 -3.795 -3.863 7.127 1.00 0.23 H new ATOM 666 N VAL A 43 -8.200 -1.978 3.306 1.00 22.44 N ATOM 667 CA VAL A 43 -7.631 -0.917 2.465 1.00 53.54 C ATOM 668 C VAL A 43 -8.717 -0.182 1.652 1.00 20.32 C ATOM 669 O VAL A 43 -8.765 1.058 1.658 1.00 54.22 O ATOM 670 CB VAL A 43 -6.520 -1.516 1.528 1.00 34.22 C ATOM 671 CG1 VAL A 43 -6.045 -0.488 0.489 1.00 23.11 C ATOM 672 CG2 VAL A 43 -5.316 -2.039 2.359 1.00 22.23 C ATOM 0 H VAL A 43 -8.035 -2.915 2.938 1.00 22.44 H new ATOM 0 HA VAL A 43 -7.175 -0.173 3.118 1.00 53.54 H new ATOM 0 HB VAL A 43 -6.964 -2.355 0.993 1.00 34.22 H new ATOM 0 HG11 VAL A 43 -5.277 -0.936 -0.142 1.00 23.11 H new ATOM 0 HG12 VAL A 43 -6.888 -0.180 -0.129 1.00 23.11 H new ATOM 0 HG13 VAL A 43 -5.633 0.382 1.000 1.00 23.11 H new ATOM 0 HG21 VAL A 43 -4.561 -2.448 1.688 1.00 22.23 H new ATOM 0 HG22 VAL A 43 -4.885 -1.218 2.932 1.00 22.23 H new ATOM 0 HG23 VAL A 43 -5.656 -2.818 3.041 1.00 22.23 H new ATOM 682 N ARG A 44 -9.589 -0.942 0.955 1.00 74.01 N ATOM 683 CA ARG A 44 -10.672 -0.343 0.136 1.00 73.14 C ATOM 684 C ARG A 44 -11.730 0.353 1.024 1.00 0.14 C ATOM 685 O ARG A 44 -12.428 1.259 0.576 1.00 35.31 O ATOM 686 CB ARG A 44 -11.352 -1.400 -0.776 1.00 45.44 C ATOM 687 CG ARG A 44 -12.036 -2.563 -0.018 1.00 3.03 C ATOM 688 CD ARG A 44 -12.908 -3.436 -0.927 1.00 25.31 C ATOM 689 NE ARG A 44 -14.054 -2.671 -1.459 1.00 52.13 N ATOM 690 CZ ARG A 44 -14.757 -2.981 -2.560 1.00 14.02 C ATOM 691 NH1 ARG A 44 -14.462 -4.056 -3.285 1.00 1.23 N ATOM 692 NH2 ARG A 44 -15.762 -2.211 -2.936 1.00 73.31 N ATOM 0 H ARG A 44 -9.568 -1.962 0.941 1.00 74.01 H new ATOM 0 HA ARG A 44 -10.207 0.409 -0.502 1.00 73.14 H new ATOM 0 HB2 ARG A 44 -12.097 -0.900 -1.396 1.00 45.44 H new ATOM 0 HB3 ARG A 44 -10.603 -1.815 -1.450 1.00 45.44 H new ATOM 0 HG2 ARG A 44 -11.272 -3.184 0.450 1.00 3.03 H new ATOM 0 HG3 ARG A 44 -12.651 -2.155 0.784 1.00 3.03 H new ATOM 0 HD2 ARG A 44 -12.308 -3.819 -1.752 1.00 25.31 H new ATOM 0 HD3 ARG A 44 -13.271 -4.299 -0.369 1.00 25.31 H new ATOM 0 HE ARG A 44 -14.335 -1.836 -0.946 1.00 52.13 H new ATOM 0 HH11 ARG A 44 -13.690 -4.662 -3.008 1.00 1.23 H new ATOM 0 HH12 ARG A 44 -15.008 -4.275 -4.118 1.00 1.23 H new ATOM 0 HH21 ARG A 44 -16.002 -1.383 -2.390 1.00 73.31 H new ATOM 0 HH22 ARG A 44 -16.298 -2.444 -3.772 1.00 73.31 H new ATOM 706 N GLU A 45 -11.842 -0.088 2.286 1.00 25.31 N ATOM 707 CA GLU A 45 -12.741 0.529 3.267 1.00 52.11 C ATOM 708 C GLU A 45 -12.054 1.719 3.976 1.00 22.34 C ATOM 709 O GLU A 45 -12.730 2.647 4.437 1.00 25.32 O ATOM 710 CB GLU A 45 -13.229 -0.542 4.269 1.00 3.22 C ATOM 711 CG GLU A 45 -13.951 -1.746 3.605 1.00 1.14 C ATOM 712 CD GLU A 45 -15.161 -1.344 2.737 1.00 5.44 C ATOM 713 OE1 GLU A 45 -15.022 -1.214 1.489 1.00 33.21 O ATOM 714 OE2 GLU A 45 -16.261 -1.143 3.294 1.00 23.10 O ATOM 0 H GLU A 45 -11.313 -0.880 2.652 1.00 25.31 H new ATOM 0 HA GLU A 45 -13.613 0.933 2.752 1.00 52.11 H new ATOM 0 HB2 GLU A 45 -12.374 -0.912 4.835 1.00 3.22 H new ATOM 0 HB3 GLU A 45 -13.906 -0.074 4.984 1.00 3.22 H new ATOM 0 HG2 GLU A 45 -13.237 -2.290 2.987 1.00 1.14 H new ATOM 0 HG3 GLU A 45 -14.286 -2.431 4.384 1.00 1.14 H new ATOM 721 N HIS A 46 -10.699 1.686 4.029 1.00 52.14 N ATOM 722 CA HIS A 46 -9.861 2.806 4.533 1.00 11.35 C ATOM 723 C HIS A 46 -9.978 4.011 3.574 1.00 62.33 C ATOM 724 O HIS A 46 -9.850 5.172 3.981 1.00 25.32 O ATOM 725 CB HIS A 46 -8.375 2.342 4.642 1.00 10.41 C ATOM 726 CG HIS A 46 -7.472 3.209 5.478 1.00 41.14 C ATOM 727 ND1 HIS A 46 -6.890 2.754 6.635 1.00 72.30 N ATOM 728 CD2 HIS A 46 -7.022 4.474 5.305 1.00 1.10 C ATOM 729 CE1 HIS A 46 -6.126 3.693 7.136 1.00 70.51 C ATOM 730 NE2 HIS A 46 -6.184 4.753 6.352 1.00 32.33 N ATOM 0 H HIS A 46 -10.154 0.880 3.723 1.00 52.14 H new ATOM 0 HA HIS A 46 -10.208 3.106 5.522 1.00 11.35 H new ATOM 0 HB2 HIS A 46 -8.360 1.333 5.054 1.00 10.41 H new ATOM 0 HB3 HIS A 46 -7.959 2.282 3.636 1.00 10.41 H new ATOM 0 HD2 HIS A 46 -7.276 5.139 4.493 1.00 1.10 H new ATOM 0 HE1 HIS A 46 -5.544 3.613 8.042 1.00 70.51 H new ATOM 0 HE2 HIS A 46 -5.688 5.632 6.501 1.00 32.33 H new ATOM 739 N ALA A 47 -10.221 3.685 2.298 1.00 12.54 N ATOM 740 CA ALA A 47 -10.413 4.642 1.206 1.00 51.04 C ATOM 741 C ALA A 47 -11.584 5.591 1.454 1.00 63.21 C ATOM 742 O ALA A 47 -11.508 6.782 1.135 1.00 22.21 O ATOM 743 CB ALA A 47 -10.668 3.869 -0.072 1.00 35.40 C ATOM 0 H ALA A 47 -10.291 2.715 1.990 1.00 12.54 H new ATOM 0 HA ALA A 47 -9.511 5.250 1.134 1.00 51.04 H new ATOM 0 HB1 ALA A 47 -10.813 4.567 -0.897 1.00 35.40 H new ATOM 0 HB2 ALA A 47 -9.813 3.228 -0.286 1.00 35.40 H new ATOM 0 HB3 ALA A 47 -11.561 3.256 0.046 1.00 35.40 H new ATOM 749 N ARG A 48 -12.671 5.026 2.017 1.00 73.03 N ATOM 750 CA ARG A 48 -13.920 5.750 2.305 1.00 53.50 C ATOM 751 C ARG A 48 -13.669 6.950 3.249 1.00 2.12 C ATOM 752 O ARG A 48 -14.324 7.985 3.119 1.00 11.42 O ATOM 753 CB ARG A 48 -14.959 4.765 2.909 1.00 45.15 C ATOM 754 CG ARG A 48 -15.336 3.598 1.956 1.00 3.14 C ATOM 755 CD ARG A 48 -16.106 2.474 2.663 1.00 2.11 C ATOM 756 NE ARG A 48 -17.347 2.942 3.308 1.00 35.40 N ATOM 757 CZ ARG A 48 -18.095 2.210 4.155 1.00 32.10 C ATOM 758 NH1 ARG A 48 -17.767 0.964 4.477 1.00 22.45 N ATOM 759 NH2 ARG A 48 -19.170 2.738 4.690 1.00 34.40 N ATOM 0 H ARG A 48 -12.704 4.043 2.287 1.00 73.03 H new ATOM 0 HA ARG A 48 -14.316 6.156 1.374 1.00 53.50 H new ATOM 0 HB2 ARG A 48 -14.560 4.352 3.835 1.00 45.15 H new ATOM 0 HB3 ARG A 48 -15.862 5.317 3.169 1.00 45.15 H new ATOM 0 HG2 ARG A 48 -15.941 3.986 1.136 1.00 3.14 H new ATOM 0 HG3 ARG A 48 -14.427 3.188 1.515 1.00 3.14 H new ATOM 0 HD2 ARG A 48 -16.350 1.697 1.938 1.00 2.11 H new ATOM 0 HD3 ARG A 48 -15.462 2.017 3.415 1.00 2.11 H new ATOM 0 HE ARG A 48 -17.661 3.889 3.097 1.00 35.40 H new ATOM 0 HH11 ARG A 48 -16.930 0.538 4.080 1.00 22.45 H new ATOM 0 HH12 ARG A 48 -18.353 0.433 5.122 1.00 22.45 H new ATOM 0 HH21 ARG A 48 -19.434 3.697 4.463 1.00 34.40 H new ATOM 0 HH22 ARG A 48 -19.742 2.190 5.333 1.00 34.40 H new ATOM 773 N GLU A 49 -12.669 6.797 4.153 1.00 33.21 N ATOM 774 CA GLU A 49 -12.220 7.857 5.083 1.00 14.23 C ATOM 775 C GLU A 49 -11.625 9.046 4.313 1.00 45.41 C ATOM 776 O GLU A 49 -12.026 10.199 4.512 1.00 2.41 O ATOM 777 CB GLU A 49 -11.142 7.296 6.052 1.00 2.51 C ATOM 778 CG GLU A 49 -11.604 6.103 6.902 1.00 3.12 C ATOM 779 CD GLU A 49 -10.473 5.534 7.776 1.00 23.43 C ATOM 780 OE1 GLU A 49 -10.144 6.149 8.810 1.00 50.43 O ATOM 781 OE2 GLU A 49 -9.893 4.491 7.415 1.00 4.30 O ATOM 0 H GLU A 49 -12.149 5.926 4.256 1.00 33.21 H new ATOM 0 HA GLU A 49 -13.088 8.196 5.648 1.00 14.23 H new ATOM 0 HB2 GLU A 49 -10.271 6.995 5.470 1.00 2.51 H new ATOM 0 HB3 GLU A 49 -10.819 8.096 6.718 1.00 2.51 H new ATOM 0 HG2 GLU A 49 -12.432 6.413 7.540 1.00 3.12 H new ATOM 0 HG3 GLU A 49 -11.983 5.319 6.247 1.00 3.12 H new ATOM 788 N LEU A 50 -10.670 8.731 3.414 1.00 75.33 N ATOM 789 CA LEU A 50 -9.921 9.734 2.634 1.00 15.41 C ATOM 790 C LEU A 50 -10.799 10.353 1.526 1.00 21.42 C ATOM 791 O LEU A 50 -10.471 11.416 0.990 1.00 62.25 O ATOM 792 CB LEU A 50 -8.634 9.097 2.037 1.00 61.31 C ATOM 793 CG LEU A 50 -7.696 8.363 3.053 1.00 12.30 C ATOM 794 CD1 LEU A 50 -6.432 7.832 2.359 1.00 13.43 C ATOM 795 CD2 LEU A 50 -7.329 9.263 4.250 1.00 63.04 C ATOM 0 H LEU A 50 -10.397 7.770 3.209 1.00 75.33 H new ATOM 0 HA LEU A 50 -9.629 10.541 3.306 1.00 15.41 H new ATOM 0 HB2 LEU A 50 -8.929 8.385 1.266 1.00 61.31 H new ATOM 0 HB3 LEU A 50 -8.060 9.881 1.544 1.00 61.31 H new ATOM 0 HG LEU A 50 -8.252 7.511 3.444 1.00 12.30 H new ATOM 0 HD11 LEU A 50 -5.800 7.327 3.090 1.00 13.43 H new ATOM 0 HD12 LEU A 50 -6.715 7.128 1.576 1.00 13.43 H new ATOM 0 HD13 LEU A 50 -5.883 8.664 1.918 1.00 13.43 H new ATOM 0 HD21 LEU A 50 -6.677 8.715 4.931 1.00 63.04 H new ATOM 0 HD22 LEU A 50 -6.813 10.153 3.891 1.00 63.04 H new ATOM 0 HD23 LEU A 50 -8.237 9.557 4.776 1.00 63.04 H new ATOM 807 N GLN A 51 -11.911 9.662 1.203 1.00 34.50 N ATOM 808 CA GLN A 51 -12.929 10.134 0.259 1.00 30.54 C ATOM 809 C GLN A 51 -13.742 11.275 0.902 1.00 61.50 C ATOM 810 O GLN A 51 -14.018 12.289 0.243 1.00 74.41 O ATOM 811 CB GLN A 51 -13.867 8.963 -0.136 1.00 12.34 C ATOM 812 CG GLN A 51 -14.902 9.297 -1.227 1.00 43.34 C ATOM 813 CD GLN A 51 -15.921 8.182 -1.443 1.00 42.44 C ATOM 814 OE1 GLN A 51 -16.980 8.159 -0.819 1.00 24.21 O ATOM 815 NE2 GLN A 51 -15.606 7.242 -2.320 1.00 3.32 N ATOM 0 H GLN A 51 -12.125 8.747 1.600 1.00 34.50 H new ATOM 0 HA GLN A 51 -12.441 10.509 -0.640 1.00 30.54 H new ATOM 0 HB2 GLN A 51 -13.256 8.128 -0.479 1.00 12.34 H new ATOM 0 HB3 GLN A 51 -14.397 8.625 0.755 1.00 12.34 H new ATOM 0 HG2 GLN A 51 -15.426 10.213 -0.955 1.00 43.34 H new ATOM 0 HG3 GLN A 51 -14.383 9.494 -2.165 1.00 43.34 H new ATOM 0 HE21 GLN A 51 -14.719 7.289 -2.822 1.00 3.32 H new ATOM 0 HE22 GLN A 51 -16.250 6.470 -2.494 1.00 3.32 H new ATOM 824 N LYS A 52 -14.105 11.096 2.206 1.00 74.44 N ATOM 825 CA LYS A 52 -14.808 12.141 2.998 1.00 60.00 C ATOM 826 C LYS A 52 -13.919 13.395 3.104 1.00 23.21 C ATOM 827 O LYS A 52 -14.389 14.529 2.981 1.00 3.00 O ATOM 828 CB LYS A 52 -15.124 11.658 4.449 1.00 52.34 C ATOM 829 CG LYS A 52 -15.853 10.309 4.575 1.00 14.21 C ATOM 830 CD LYS A 52 -17.232 10.269 3.878 1.00 62.22 C ATOM 831 CE LYS A 52 -17.905 8.889 4.011 1.00 63.24 C ATOM 832 NZ LYS A 52 -19.213 8.837 3.310 1.00 71.31 N ATOM 0 H LYS A 52 -13.921 10.238 2.726 1.00 74.44 H new ATOM 0 HA LYS A 52 -15.744 12.360 2.484 1.00 60.00 H new ATOM 0 HB2 LYS A 52 -14.186 11.592 5.000 1.00 52.34 H new ATOM 0 HB3 LYS A 52 -15.729 12.421 4.939 1.00 52.34 H new ATOM 0 HG2 LYS A 52 -15.222 9.527 4.153 1.00 14.21 H new ATOM 0 HG3 LYS A 52 -15.985 10.077 5.632 1.00 14.21 H new ATOM 0 HD2 LYS A 52 -17.879 11.032 4.311 1.00 62.22 H new ATOM 0 HD3 LYS A 52 -17.112 10.514 2.823 1.00 62.22 H new ATOM 0 HE2 LYS A 52 -17.245 8.123 3.604 1.00 63.24 H new ATOM 0 HE3 LYS A 52 -18.050 8.657 5.066 1.00 63.24 H new ATOM 0 HZ1 LYS A 52 -19.631 7.892 3.425 1.00 71.31 H new ATOM 0 HZ2 LYS A 52 -19.853 9.550 3.715 1.00 71.31 H new ATOM 0 HZ3 LYS A 52 -19.073 9.033 2.298 1.00 71.31 H new ATOM 846 N GLN A 53 -12.625 13.134 3.350 1.00 63.34 N ATOM 847 CA GLN A 53 -11.588 14.167 3.504 1.00 73.32 C ATOM 848 C GLN A 53 -11.235 14.827 2.156 1.00 41.53 C ATOM 849 O GLN A 53 -10.823 15.993 2.121 1.00 15.34 O ATOM 850 CB GLN A 53 -10.332 13.533 4.165 1.00 1.11 C ATOM 851 CG GLN A 53 -10.548 13.074 5.620 1.00 12.34 C ATOM 852 CD GLN A 53 -9.345 12.336 6.204 1.00 42.24 C ATOM 853 OE1 GLN A 53 -9.359 11.016 6.131 1.00 63.02 O flip ATOM 854 NE2 GLN A 53 -8.423 12.943 6.741 1.00 14.32 N flip ATOM 0 H GLN A 53 -12.264 12.185 3.449 1.00 63.34 H new ATOM 0 HA GLN A 53 -11.974 14.958 4.147 1.00 73.32 H new ATOM 0 HB2 GLN A 53 -10.015 12.677 3.569 1.00 1.11 H new ATOM 0 HB3 GLN A 53 -9.518 14.257 4.141 1.00 1.11 H new ATOM 0 HG2 GLN A 53 -10.768 13.943 6.239 1.00 12.34 H new ATOM 0 HG3 GLN A 53 -11.421 12.423 5.663 1.00 12.34 H new ATOM 0 HE21 GLN A 53 -8.439 13.962 6.783 1.00 14.32 H new ATOM 0 HE22 GLN A 53 -7.641 12.428 7.146 1.00 14.32 H new ATOM 863 N GLY A 54 -11.400 14.059 1.062 1.00 5.05 N ATOM 864 CA GLY A 54 -11.098 14.529 -0.289 1.00 44.13 C ATOM 865 C GLY A 54 -9.616 14.795 -0.511 1.00 40.32 C ATOM 866 O GLY A 54 -9.253 15.792 -1.144 1.00 54.20 O ATOM 0 H GLY A 54 -11.745 13.100 1.097 1.00 5.05 H new ATOM 0 HA2 GLY A 54 -11.440 13.787 -1.010 1.00 44.13 H new ATOM 0 HA3 GLY A 54 -11.658 15.444 -0.483 1.00 44.13 H new ATOM 870 N ILE A 55 -8.759 13.905 0.026 1.00 60.15 N ATOM 871 CA ILE A 55 -7.290 14.037 -0.085 1.00 52.15 C ATOM 872 C ILE A 55 -6.826 13.574 -1.482 1.00 14.33 C ATOM 873 O ILE A 55 -6.979 12.402 -1.833 1.00 24.03 O ATOM 874 CB ILE A 55 -6.533 13.222 1.042 1.00 12.33 C ATOM 875 CG1 ILE A 55 -7.015 13.699 2.448 1.00 4.21 C ATOM 876 CG2 ILE A 55 -4.988 13.361 0.907 1.00 45.21 C ATOM 877 CD1 ILE A 55 -6.380 12.992 3.637 1.00 52.20 C ATOM 0 H ILE A 55 -9.060 13.080 0.545 1.00 60.15 H new ATOM 0 HA ILE A 55 -7.040 15.089 0.053 1.00 52.15 H new ATOM 0 HB ILE A 55 -6.772 12.165 0.923 1.00 12.33 H new ATOM 0 HG12 ILE A 55 -6.818 14.767 2.536 1.00 4.21 H new ATOM 0 HG13 ILE A 55 -8.096 13.568 2.505 1.00 4.21 H new ATOM 0 HG21 ILE A 55 -4.501 12.789 1.697 1.00 45.21 H new ATOM 0 HG22 ILE A 55 -4.672 12.981 -0.064 1.00 45.21 H new ATOM 0 HG23 ILE A 55 -4.708 14.411 0.994 1.00 45.21 H new ATOM 0 HD11 ILE A 55 -6.786 13.400 4.562 1.00 52.20 H new ATOM 0 HD12 ILE A 55 -6.598 11.925 3.585 1.00 52.20 H new ATOM 0 HD13 ILE A 55 -5.301 13.143 3.616 1.00 52.20 H new ATOM 889 N HIS A 56 -6.285 14.517 -2.273 1.00 62.03 N ATOM 890 CA HIS A 56 -5.747 14.241 -3.615 1.00 30.41 C ATOM 891 C HIS A 56 -4.255 13.900 -3.481 1.00 0.21 C ATOM 892 O HIS A 56 -3.475 14.772 -3.122 1.00 0.12 O ATOM 893 CB HIS A 56 -5.950 15.494 -4.516 1.00 70.44 C ATOM 894 CG HIS A 56 -5.441 15.338 -5.933 1.00 1.25 C ATOM 895 ND1 HIS A 56 -6.236 14.914 -6.971 1.00 15.54 N ATOM 896 CD2 HIS A 56 -4.221 15.565 -6.471 1.00 41.32 C ATOM 897 CE1 HIS A 56 -5.528 14.886 -8.078 1.00 22.01 C ATOM 898 NE2 HIS A 56 -4.297 15.272 -7.806 1.00 10.42 N ATOM 0 H HIS A 56 -6.209 15.496 -1.997 1.00 62.03 H new ATOM 0 HA HIS A 56 -6.266 13.399 -4.074 1.00 30.41 H new ATOM 0 HB2 HIS A 56 -7.013 15.733 -4.550 1.00 70.44 H new ATOM 0 HB3 HIS A 56 -5.447 16.343 -4.054 1.00 70.44 H new ATOM 0 HD2 HIS A 56 -3.346 15.914 -5.943 1.00 41.32 H new ATOM 0 HE1 HIS A 56 -5.895 14.595 -9.051 1.00 22.01 H new ATOM 0 HE2 HIS A 56 -3.531 15.341 -8.476 1.00 10.42 H new ATOM 907 N PHE A 57 -3.857 12.649 -3.765 1.00 53.24 N ATOM 908 CA PHE A 57 -2.449 12.220 -3.612 1.00 2.40 C ATOM 909 C PHE A 57 -2.074 11.171 -4.661 1.00 51.04 C ATOM 910 O PHE A 57 -2.841 10.240 -4.924 1.00 61.32 O ATOM 911 CB PHE A 57 -2.184 11.690 -2.177 1.00 44.45 C ATOM 912 CG PHE A 57 -2.963 10.425 -1.784 1.00 12.21 C ATOM 913 CD1 PHE A 57 -2.336 9.180 -1.759 1.00 51.00 C ATOM 914 CD2 PHE A 57 -4.316 10.491 -1.448 1.00 20.32 C ATOM 915 CE1 PHE A 57 -3.036 8.046 -1.414 1.00 22.53 C ATOM 916 CE2 PHE A 57 -5.012 9.354 -1.101 1.00 72.01 C ATOM 917 CZ PHE A 57 -4.370 8.137 -1.086 1.00 42.13 C ATOM 0 H PHE A 57 -4.484 11.917 -4.100 1.00 53.24 H new ATOM 0 HA PHE A 57 -1.815 13.092 -3.772 1.00 2.40 H new ATOM 0 HB2 PHE A 57 -1.118 11.485 -2.075 1.00 44.45 H new ATOM 0 HB3 PHE A 57 -2.426 12.480 -1.466 1.00 44.45 H new ATOM 0 HD1 PHE A 57 -1.289 9.104 -2.013 1.00 51.00 H new ATOM 0 HD2 PHE A 57 -4.823 11.444 -1.460 1.00 20.32 H new ATOM 0 HE1 PHE A 57 -2.540 7.087 -1.401 1.00 22.53 H new ATOM 0 HE2 PHE A 57 -6.058 9.418 -0.841 1.00 72.01 H new ATOM 0 HZ PHE A 57 -4.917 7.246 -0.815 1.00 42.13 H new ATOM 927 N GLU A 58 -0.900 11.361 -5.280 1.00 54.22 N ATOM 928 CA GLU A 58 -0.326 10.420 -6.264 1.00 52.33 C ATOM 929 C GLU A 58 0.977 9.820 -5.707 1.00 70.34 C ATOM 930 O GLU A 58 1.665 10.440 -4.882 1.00 72.02 O ATOM 931 CB GLU A 58 -0.055 11.103 -7.644 1.00 20.42 C ATOM 932 CG GLU A 58 -1.309 11.455 -8.489 1.00 4.30 C ATOM 933 CD GLU A 58 -2.119 12.643 -7.946 1.00 2.33 C ATOM 934 OE1 GLU A 58 -3.219 12.433 -7.390 1.00 53.10 O ATOM 935 OE2 GLU A 58 -1.633 13.790 -8.048 1.00 63.34 O ATOM 0 H GLU A 58 -0.313 12.179 -5.113 1.00 54.22 H new ATOM 0 HA GLU A 58 -1.057 9.629 -6.432 1.00 52.33 H new ATOM 0 HB2 GLU A 58 0.509 12.019 -7.469 1.00 20.42 H new ATOM 0 HB3 GLU A 58 0.582 10.444 -8.234 1.00 20.42 H new ATOM 0 HG2 GLU A 58 -0.996 11.679 -9.509 1.00 4.30 H new ATOM 0 HG3 GLU A 58 -1.957 10.580 -8.539 1.00 4.30 H new ATOM 942 N VAL A 59 1.285 8.600 -6.181 1.00 54.24 N ATOM 943 CA VAL A 59 2.505 7.853 -5.827 1.00 20.20 C ATOM 944 C VAL A 59 3.714 8.428 -6.603 1.00 72.51 C ATOM 945 O VAL A 59 3.709 8.442 -7.839 1.00 41.21 O ATOM 946 CB VAL A 59 2.330 6.318 -6.140 1.00 0.11 C ATOM 947 CG1 VAL A 59 3.580 5.513 -5.716 1.00 20.33 C ATOM 948 CG2 VAL A 59 1.049 5.747 -5.476 1.00 41.12 C ATOM 0 H VAL A 59 0.683 8.097 -6.832 1.00 54.24 H new ATOM 0 HA VAL A 59 2.684 7.961 -4.757 1.00 20.20 H new ATOM 0 HB VAL A 59 2.217 6.216 -7.219 1.00 0.11 H new ATOM 0 HG11 VAL A 59 3.428 4.458 -5.945 1.00 20.33 H new ATOM 0 HG12 VAL A 59 4.451 5.881 -6.259 1.00 20.33 H new ATOM 0 HG13 VAL A 59 3.743 5.632 -4.645 1.00 20.33 H new ATOM 0 HG21 VAL A 59 0.959 4.687 -5.712 1.00 41.12 H new ATOM 0 HG22 VAL A 59 1.112 5.874 -4.395 1.00 41.12 H new ATOM 0 HG23 VAL A 59 0.176 6.278 -5.854 1.00 41.12 H new ATOM 958 N LYS A 60 4.735 8.904 -5.862 1.00 22.13 N ATOM 959 CA LYS A 60 5.891 9.635 -6.437 1.00 64.25 C ATOM 960 C LYS A 60 7.135 8.739 -6.519 1.00 63.55 C ATOM 961 O LYS A 60 7.718 8.552 -7.590 1.00 14.23 O ATOM 962 CB LYS A 60 6.202 10.895 -5.572 1.00 2.52 C ATOM 963 CG LYS A 60 4.978 11.793 -5.282 1.00 52.22 C ATOM 964 CD LYS A 60 4.241 12.271 -6.559 1.00 33.13 C ATOM 965 CE LYS A 60 5.095 13.186 -7.453 1.00 44.24 C ATOM 966 NZ LYS A 60 4.351 13.624 -8.661 1.00 33.40 N ATOM 0 H LYS A 60 4.785 8.795 -4.849 1.00 22.13 H new ATOM 0 HA LYS A 60 5.628 9.941 -7.450 1.00 64.25 H new ATOM 0 HB2 LYS A 60 6.632 10.572 -4.624 1.00 2.52 H new ATOM 0 HB3 LYS A 60 6.961 11.490 -6.080 1.00 2.52 H new ATOM 0 HG2 LYS A 60 4.277 11.245 -4.652 1.00 52.22 H new ATOM 0 HG3 LYS A 60 5.304 12.664 -4.713 1.00 52.22 H new ATOM 0 HD2 LYS A 60 3.929 11.401 -7.136 1.00 33.13 H new ATOM 0 HD3 LYS A 60 3.335 12.803 -6.269 1.00 33.13 H new ATOM 0 HE2 LYS A 60 5.410 14.060 -6.883 1.00 44.24 H new ATOM 0 HE3 LYS A 60 6.000 12.658 -7.754 1.00 44.24 H new ATOM 0 HZ1 LYS A 60 4.959 14.239 -9.239 1.00 33.40 H new ATOM 0 HZ2 LYS A 60 4.072 12.791 -9.218 1.00 33.40 H new ATOM 0 HZ3 LYS A 60 3.501 14.149 -8.374 1.00 33.40 H new ATOM 980 N ARG A 61 7.509 8.157 -5.377 1.00 64.43 N ATOM 981 CA ARG A 61 8.746 7.374 -5.219 1.00 4.02 C ATOM 982 C ARG A 61 8.404 6.071 -4.508 1.00 70.14 C ATOM 983 O ARG A 61 7.778 6.118 -3.461 1.00 41.33 O ATOM 984 CB ARG A 61 9.769 8.184 -4.373 1.00 34.12 C ATOM 985 CG ARG A 61 11.100 7.444 -4.078 1.00 4.32 C ATOM 986 CD ARG A 61 12.004 7.278 -5.319 1.00 24.40 C ATOM 987 NE ARG A 61 12.708 8.530 -5.666 1.00 62.13 N ATOM 988 CZ ARG A 61 14.045 8.704 -5.620 1.00 11.21 C ATOM 989 NH1 ARG A 61 14.847 7.706 -5.242 1.00 42.42 N ATOM 990 NH2 ARG A 61 14.575 9.872 -5.939 1.00 51.15 N ATOM 0 H ARG A 61 6.956 8.215 -4.522 1.00 64.43 H new ATOM 0 HA ARG A 61 9.185 7.161 -6.194 1.00 4.02 H new ATOM 0 HB2 ARG A 61 9.995 9.114 -4.894 1.00 34.12 H new ATOM 0 HB3 ARG A 61 9.302 8.455 -3.426 1.00 34.12 H new ATOM 0 HG2 ARG A 61 11.648 7.991 -3.311 1.00 4.32 H new ATOM 0 HG3 ARG A 61 10.875 6.459 -3.668 1.00 4.32 H new ATOM 0 HD2 ARG A 61 12.735 6.492 -5.132 1.00 24.40 H new ATOM 0 HD3 ARG A 61 11.399 6.956 -6.167 1.00 24.40 H new ATOM 0 HE ARG A 61 12.140 9.323 -5.963 1.00 62.13 H new ATOM 0 HH11 ARG A 61 14.450 6.802 -4.985 1.00 42.42 H new ATOM 0 HH12 ARG A 61 15.857 7.847 -5.210 1.00 42.42 H new ATOM 0 HH21 ARG A 61 13.973 10.645 -6.221 1.00 51.15 H new ATOM 0 HH22 ARG A 61 15.586 10.000 -5.903 1.00 51.15 H new ATOM 1004 N VAL A 62 8.800 4.922 -5.084 1.00 42.32 N ATOM 1005 CA VAL A 62 8.621 3.592 -4.458 1.00 12.24 C ATOM 1006 C VAL A 62 9.990 2.916 -4.340 1.00 54.40 C ATOM 1007 O VAL A 62 10.578 2.532 -5.354 1.00 72.20 O ATOM 1008 CB VAL A 62 7.663 2.653 -5.281 1.00 12.42 C ATOM 1009 CG1 VAL A 62 7.391 1.326 -4.533 1.00 64.40 C ATOM 1010 CG2 VAL A 62 6.346 3.371 -5.610 1.00 1.14 C ATOM 0 H VAL A 62 9.254 4.885 -5.997 1.00 42.32 H new ATOM 0 HA VAL A 62 8.164 3.749 -3.481 1.00 12.24 H new ATOM 0 HB VAL A 62 8.165 2.409 -6.217 1.00 12.42 H new ATOM 0 HG11 VAL A 62 6.726 0.702 -5.130 1.00 64.40 H new ATOM 0 HG12 VAL A 62 8.332 0.801 -4.370 1.00 64.40 H new ATOM 0 HG13 VAL A 62 6.923 1.539 -3.572 1.00 64.40 H new ATOM 0 HG21 VAL A 62 5.700 2.703 -6.179 1.00 1.14 H new ATOM 0 HG22 VAL A 62 5.847 3.658 -4.684 1.00 1.14 H new ATOM 0 HG23 VAL A 62 6.556 4.263 -6.200 1.00 1.14 H new ATOM 1020 N GLU A 63 10.497 2.789 -3.109 1.00 1.54 N ATOM 1021 CA GLU A 63 11.796 2.153 -2.828 1.00 12.34 C ATOM 1022 C GLU A 63 11.564 0.954 -1.913 1.00 54.54 C ATOM 1023 O GLU A 63 11.245 1.113 -0.735 1.00 14.52 O ATOM 1024 CB GLU A 63 12.763 3.173 -2.186 1.00 54.12 C ATOM 1025 CG GLU A 63 12.987 4.404 -3.074 1.00 23.31 C ATOM 1026 CD GLU A 63 13.914 5.455 -2.463 1.00 32.11 C ATOM 1027 OE1 GLU A 63 13.548 6.038 -1.422 1.00 61.03 O ATOM 1028 OE2 GLU A 63 14.989 5.736 -3.042 1.00 55.51 O ATOM 0 H GLU A 63 10.018 3.125 -2.273 1.00 1.54 H new ATOM 0 HA GLU A 63 12.255 1.809 -3.755 1.00 12.34 H new ATOM 0 HB2 GLU A 63 12.365 3.491 -1.222 1.00 54.12 H new ATOM 0 HB3 GLU A 63 13.720 2.690 -1.991 1.00 54.12 H new ATOM 0 HG2 GLU A 63 13.402 4.080 -4.028 1.00 23.31 H new ATOM 0 HG3 GLU A 63 12.023 4.865 -3.287 1.00 23.31 H new ATOM 1035 N VAL A 64 11.718 -0.242 -2.483 1.00 4.34 N ATOM 1036 CA VAL A 64 11.414 -1.513 -1.820 1.00 63.10 C ATOM 1037 C VAL A 64 12.729 -2.217 -1.416 1.00 44.41 C ATOM 1038 O VAL A 64 13.501 -2.669 -2.269 1.00 23.24 O ATOM 1039 CB VAL A 64 10.499 -2.404 -2.762 1.00 65.32 C ATOM 1040 CG1 VAL A 64 11.112 -2.621 -4.176 1.00 52.20 C ATOM 1041 CG2 VAL A 64 10.137 -3.744 -2.095 1.00 20.13 C ATOM 0 H VAL A 64 12.064 -0.358 -3.436 1.00 4.34 H new ATOM 0 HA VAL A 64 10.851 -1.338 -0.903 1.00 63.10 H new ATOM 0 HB VAL A 64 9.577 -1.842 -2.910 1.00 65.32 H new ATOM 0 HG11 VAL A 64 10.440 -3.238 -4.773 1.00 52.20 H new ATOM 0 HG12 VAL A 64 11.250 -1.657 -4.665 1.00 52.20 H new ATOM 0 HG13 VAL A 64 12.076 -3.121 -4.082 1.00 52.20 H new ATOM 0 HG21 VAL A 64 9.510 -4.328 -2.769 1.00 20.13 H new ATOM 0 HG22 VAL A 64 11.049 -4.299 -1.875 1.00 20.13 H new ATOM 0 HG23 VAL A 64 9.596 -3.555 -1.168 1.00 20.13 H new ATOM 1051 N THR A 65 12.994 -2.271 -0.101 1.00 24.41 N ATOM 1052 CA THR A 65 14.231 -2.846 0.468 1.00 1.11 C ATOM 1053 C THR A 65 13.874 -3.955 1.474 1.00 22.35 C ATOM 1054 O THR A 65 12.890 -3.836 2.196 1.00 22.41 O ATOM 1055 CB THR A 65 15.105 -1.736 1.160 1.00 23.35 C ATOM 1056 OG1 THR A 65 16.329 -2.302 1.666 1.00 40.14 O ATOM 1057 CG2 THR A 65 14.361 -1.016 2.305 1.00 15.22 C ATOM 0 H THR A 65 12.352 -1.914 0.607 1.00 24.41 H new ATOM 0 HA THR A 65 14.819 -3.275 -0.344 1.00 1.11 H new ATOM 0 HB THR A 65 15.325 -0.994 0.393 1.00 23.35 H new ATOM 0 HG1 THR A 65 16.863 -1.599 2.092 1.00 40.14 H new ATOM 0 HG21 THR A 65 15.013 -0.261 2.745 1.00 15.22 H new ATOM 0 HG22 THR A 65 13.465 -0.536 1.912 1.00 15.22 H new ATOM 0 HG23 THR A 65 14.079 -1.741 3.068 1.00 15.22 H new ATOM 1065 N THR A 66 14.668 -5.031 1.506 1.00 31.54 N ATOM 1066 CA THR A 66 14.430 -6.167 2.411 1.00 1.34 C ATOM 1067 C THR A 66 15.228 -5.989 3.716 1.00 70.03 C ATOM 1068 O THR A 66 16.452 -5.812 3.680 1.00 21.22 O ATOM 1069 CB THR A 66 14.810 -7.510 1.716 1.00 10.21 C ATOM 1070 OG1 THR A 66 16.148 -7.432 1.203 1.00 3.42 O ATOM 1071 CG2 THR A 66 13.837 -7.842 0.568 1.00 61.11 C ATOM 0 H THR A 66 15.489 -5.141 0.911 1.00 31.54 H new ATOM 0 HA THR A 66 13.368 -6.197 2.656 1.00 1.34 H new ATOM 0 HB THR A 66 14.745 -8.304 2.460 1.00 10.21 H new ATOM 0 HG1 THR A 66 16.687 -6.854 1.782 1.00 3.42 H new ATOM 0 HG21 THR A 66 14.129 -8.784 0.104 1.00 61.11 H new ATOM 0 HG22 THR A 66 12.825 -7.931 0.963 1.00 61.11 H new ATOM 0 HG23 THR A 66 13.867 -7.046 -0.176 1.00 61.11 H new ATOM 1079 N ASP A 67 14.510 -6.021 4.847 1.00 30.03 N ATOM 1080 CA ASP A 67 15.092 -5.942 6.202 1.00 41.21 C ATOM 1081 C ASP A 67 14.856 -7.293 6.908 1.00 2.22 C ATOM 1082 O ASP A 67 13.761 -7.562 7.425 1.00 1.12 O ATOM 1083 CB ASP A 67 14.453 -4.767 6.999 1.00 72.35 C ATOM 1084 CG ASP A 67 14.978 -4.659 8.441 1.00 42.43 C ATOM 1085 OD1 ASP A 67 14.231 -4.964 9.393 1.00 71.33 O ATOM 1086 OD2 ASP A 67 16.159 -4.298 8.624 1.00 50.20 O ATOM 0 H ASP A 67 13.493 -6.104 4.851 1.00 30.03 H new ATOM 0 HA ASP A 67 16.163 -5.747 6.144 1.00 41.21 H new ATOM 0 HB2 ASP A 67 14.651 -3.831 6.476 1.00 72.35 H new ATOM 0 HB3 ASP A 67 13.371 -4.897 7.022 1.00 72.35 H new ATOM 1091 N GLY A 68 15.899 -8.145 6.887 1.00 73.32 N ATOM 1092 CA GLY A 68 15.794 -9.527 7.349 1.00 73.42 C ATOM 1093 C GLY A 68 14.924 -10.335 6.396 1.00 22.32 C ATOM 1094 O GLY A 68 15.295 -10.526 5.232 1.00 71.12 O ATOM 0 H GLY A 68 16.827 -7.890 6.551 1.00 73.32 H new ATOM 0 HA2 GLY A 68 16.786 -9.973 7.414 1.00 73.42 H new ATOM 0 HA3 GLY A 68 15.368 -9.552 8.352 1.00 73.42 H new ATOM 1098 N ASN A 69 13.744 -10.756 6.878 1.00 55.44 N ATOM 1099 CA ASN A 69 12.713 -11.426 6.044 1.00 14.23 C ATOM 1100 C ASN A 69 11.548 -10.459 5.753 1.00 70.05 C ATOM 1101 O ASN A 69 10.778 -10.682 4.818 1.00 40.11 O ATOM 1102 CB ASN A 69 12.180 -12.697 6.763 1.00 2.45 C ATOM 1103 CG ASN A 69 13.264 -13.748 7.015 1.00 4.44 C ATOM 1104 OD1 ASN A 69 13.518 -14.612 6.171 1.00 72.03 O ATOM 1105 ND2 ASN A 69 13.922 -13.671 8.167 1.00 1.03 N ATOM 0 H ASN A 69 13.470 -10.645 7.854 1.00 55.44 H new ATOM 0 HA ASN A 69 13.171 -11.721 5.100 1.00 14.23 H new ATOM 0 HB2 ASN A 69 11.735 -12.408 7.715 1.00 2.45 H new ATOM 0 HB3 ASN A 69 11.386 -13.140 6.162 1.00 2.45 H new ATOM 0 HD21 ASN A 69 14.664 -14.339 8.376 1.00 1.03 H new ATOM 0 HD22 ASN A 69 13.686 -12.944 8.842 1.00 1.03 H new ATOM 1112 N THR A 70 11.474 -9.352 6.509 1.00 2.14 N ATOM 1113 CA THR A 70 10.371 -8.387 6.406 1.00 14.22 C ATOM 1114 C THR A 70 10.753 -7.262 5.425 1.00 23.22 C ATOM 1115 O THR A 70 11.706 -6.514 5.670 1.00 4.01 O ATOM 1116 CB THR A 70 10.047 -7.787 7.805 1.00 53.50 C ATOM 1117 OG1 THR A 70 9.808 -8.847 8.746 1.00 35.03 O ATOM 1118 CG2 THR A 70 8.829 -6.854 7.774 1.00 1.11 C ATOM 0 H THR A 70 12.175 -9.102 7.206 1.00 2.14 H new ATOM 0 HA THR A 70 9.485 -8.901 6.034 1.00 14.22 H new ATOM 0 HB THR A 70 10.911 -7.195 8.109 1.00 53.50 H new ATOM 0 HG1 THR A 70 9.606 -8.464 9.625 1.00 35.03 H new ATOM 0 HG21 THR A 70 8.645 -6.462 8.774 1.00 1.11 H new ATOM 0 HG22 THR A 70 9.021 -6.027 7.090 1.00 1.11 H new ATOM 0 HG23 THR A 70 7.954 -7.409 7.436 1.00 1.11 H new ATOM 1126 N VAL A 71 10.001 -7.154 4.327 1.00 24.54 N ATOM 1127 CA VAL A 71 10.273 -6.183 3.258 1.00 23.25 C ATOM 1128 C VAL A 71 9.559 -4.841 3.554 1.00 63.34 C ATOM 1129 O VAL A 71 8.380 -4.810 3.862 1.00 54.44 O ATOM 1130 CB VAL A 71 9.859 -6.769 1.850 1.00 71.34 C ATOM 1131 CG1 VAL A 71 8.365 -7.137 1.769 1.00 5.43 C ATOM 1132 CG2 VAL A 71 10.284 -5.826 0.701 1.00 71.14 C ATOM 0 H VAL A 71 9.183 -7.738 4.151 1.00 24.54 H new ATOM 0 HA VAL A 71 11.345 -5.988 3.225 1.00 23.25 H new ATOM 0 HB VAL A 71 10.405 -7.705 1.730 1.00 71.34 H new ATOM 0 HG11 VAL A 71 8.141 -7.534 0.779 1.00 5.43 H new ATOM 0 HG12 VAL A 71 8.134 -7.890 2.522 1.00 5.43 H new ATOM 0 HG13 VAL A 71 7.761 -6.248 1.948 1.00 5.43 H new ATOM 0 HG21 VAL A 71 9.985 -6.258 -0.254 1.00 71.14 H new ATOM 0 HG22 VAL A 71 9.801 -4.857 0.828 1.00 71.14 H new ATOM 0 HG23 VAL A 71 11.366 -5.697 0.718 1.00 71.14 H new ATOM 1142 N ASN A 72 10.320 -3.746 3.491 1.00 63.25 N ATOM 1143 CA ASN A 72 9.861 -2.382 3.817 1.00 72.33 C ATOM 1144 C ASN A 72 9.844 -1.537 2.547 1.00 12.44 C ATOM 1145 O ASN A 72 10.902 -1.280 1.950 1.00 30.03 O ATOM 1146 CB ASN A 72 10.807 -1.743 4.862 1.00 70.01 C ATOM 1147 CG ASN A 72 10.787 -2.476 6.202 1.00 34.21 C ATOM 1148 OD1 ASN A 72 10.078 -2.081 7.120 1.00 34.12 O ATOM 1149 ND2 ASN A 72 11.509 -3.582 6.302 1.00 5.10 N ATOM 0 H ASN A 72 11.299 -3.778 3.205 1.00 63.25 H new ATOM 0 HA ASN A 72 8.855 -2.429 4.234 1.00 72.33 H new ATOM 0 HB2 ASN A 72 11.824 -1.738 4.470 1.00 70.01 H new ATOM 0 HB3 ASN A 72 10.521 -0.703 5.017 1.00 70.01 H new ATOM 0 HD21 ASN A 72 11.484 -4.131 7.161 1.00 5.10 H new ATOM 0 HD22 ASN A 72 12.089 -3.885 5.520 1.00 5.10 H new ATOM 1156 N VAL A 73 8.644 -1.141 2.115 1.00 52.33 N ATOM 1157 CA VAL A 73 8.467 -0.230 0.988 1.00 0.33 C ATOM 1158 C VAL A 73 8.338 1.202 1.511 1.00 45.12 C ATOM 1159 O VAL A 73 7.295 1.593 2.053 1.00 11.02 O ATOM 1160 CB VAL A 73 7.217 -0.617 0.121 1.00 63.10 C ATOM 1161 CG1 VAL A 73 7.043 0.344 -1.083 1.00 60.43 C ATOM 1162 CG2 VAL A 73 7.328 -2.081 -0.353 1.00 23.22 C ATOM 0 H VAL A 73 7.768 -1.445 2.540 1.00 52.33 H new ATOM 0 HA VAL A 73 9.341 -0.305 0.342 1.00 0.33 H new ATOM 0 HB VAL A 73 6.329 -0.520 0.745 1.00 63.10 H new ATOM 0 HG11 VAL A 73 6.168 0.047 -1.662 1.00 60.43 H new ATOM 0 HG12 VAL A 73 6.909 1.363 -0.719 1.00 60.43 H new ATOM 0 HG13 VAL A 73 7.929 0.299 -1.716 1.00 60.43 H new ATOM 0 HG21 VAL A 73 6.455 -2.336 -0.953 1.00 23.22 H new ATOM 0 HG22 VAL A 73 8.229 -2.201 -0.954 1.00 23.22 H new ATOM 0 HG23 VAL A 73 7.379 -2.741 0.513 1.00 23.22 H new ATOM 1172 N THR A 74 9.413 1.963 1.348 1.00 71.22 N ATOM 1173 CA THR A 74 9.459 3.384 1.657 1.00 13.43 C ATOM 1174 C THR A 74 8.958 4.155 0.425 1.00 31.22 C ATOM 1175 O THR A 74 9.663 4.249 -0.586 1.00 53.13 O ATOM 1176 CB THR A 74 10.920 3.788 2.024 1.00 22.12 C ATOM 1177 OG1 THR A 74 11.382 2.960 3.103 1.00 35.51 O ATOM 1178 CG2 THR A 74 11.046 5.261 2.440 1.00 40.13 C ATOM 0 H THR A 74 10.296 1.600 0.989 1.00 71.22 H new ATOM 0 HA THR A 74 8.824 3.621 2.511 1.00 13.43 H new ATOM 0 HB THR A 74 11.526 3.647 1.129 1.00 22.12 H new ATOM 0 HG1 THR A 74 12.301 3.209 3.336 1.00 35.51 H new ATOM 0 HG21 THR A 74 12.085 5.483 2.684 1.00 40.13 H new ATOM 0 HG22 THR A 74 10.721 5.900 1.619 1.00 40.13 H new ATOM 0 HG23 THR A 74 10.421 5.447 3.313 1.00 40.13 H new ATOM 1186 N VAL A 75 7.719 4.662 0.513 1.00 41.10 N ATOM 1187 CA VAL A 75 7.006 5.257 -0.628 1.00 24.25 C ATOM 1188 C VAL A 75 6.479 6.667 -0.289 1.00 55.14 C ATOM 1189 O VAL A 75 5.625 6.841 0.589 1.00 72.12 O ATOM 1190 CB VAL A 75 5.854 4.295 -1.160 1.00 50.43 C ATOM 1191 CG1 VAL A 75 4.996 3.717 -0.016 1.00 32.42 C ATOM 1192 CG2 VAL A 75 4.967 4.983 -2.236 1.00 1.32 C ATOM 0 H VAL A 75 7.182 4.671 1.380 1.00 41.10 H new ATOM 0 HA VAL A 75 7.721 5.374 -1.442 1.00 24.25 H new ATOM 0 HB VAL A 75 6.358 3.456 -1.639 1.00 50.43 H new ATOM 0 HG11 VAL A 75 4.225 3.068 -0.432 1.00 32.42 H new ATOM 0 HG12 VAL A 75 5.630 3.142 0.659 1.00 32.42 H new ATOM 0 HG13 VAL A 75 4.526 4.532 0.534 1.00 32.42 H new ATOM 0 HG21 VAL A 75 4.195 4.289 -2.569 1.00 1.32 H new ATOM 0 HG22 VAL A 75 4.498 5.869 -1.809 1.00 1.32 H new ATOM 0 HG23 VAL A 75 5.585 5.274 -3.085 1.00 1.32 H new ATOM 1202 N GLU A 76 7.024 7.669 -1.002 1.00 21.03 N ATOM 1203 CA GLU A 76 6.620 9.077 -0.873 1.00 34.45 C ATOM 1204 C GLU A 76 5.350 9.326 -1.701 1.00 24.32 C ATOM 1205 O GLU A 76 5.269 8.907 -2.866 1.00 31.24 O ATOM 1206 CB GLU A 76 7.755 10.017 -1.362 1.00 11.40 C ATOM 1207 CG GLU A 76 7.387 11.522 -1.339 1.00 22.53 C ATOM 1208 CD GLU A 76 8.445 12.422 -1.996 1.00 51.14 C ATOM 1209 OE1 GLU A 76 8.495 12.472 -3.239 1.00 70.10 O ATOM 1210 OE2 GLU A 76 9.213 13.092 -1.272 1.00 42.54 O ATOM 0 H GLU A 76 7.763 7.521 -1.689 1.00 21.03 H new ATOM 0 HA GLU A 76 6.420 9.289 0.177 1.00 34.45 H new ATOM 0 HB2 GLU A 76 8.635 9.860 -0.739 1.00 11.40 H new ATOM 0 HB3 GLU A 76 8.030 9.737 -2.379 1.00 11.40 H new ATOM 0 HG2 GLU A 76 6.434 11.663 -1.849 1.00 22.53 H new ATOM 0 HG3 GLU A 76 7.245 11.837 -0.305 1.00 22.53 H new ATOM 1217 N LEU A 77 4.367 9.991 -1.083 1.00 0.15 N ATOM 1218 CA LEU A 77 3.133 10.433 -1.744 1.00 61.52 C ATOM 1219 C LEU A 77 3.061 11.963 -1.677 1.00 74.41 C ATOM 1220 O LEU A 77 3.353 12.550 -0.623 1.00 54.42 O ATOM 1221 CB LEU A 77 1.892 9.813 -1.042 1.00 31.30 C ATOM 1222 CG LEU A 77 1.907 8.260 -0.876 1.00 24.54 C ATOM 1223 CD1 LEU A 77 0.657 7.780 -0.126 1.00 43.32 C ATOM 1224 CD2 LEU A 77 2.035 7.568 -2.243 1.00 11.54 C ATOM 0 H LEU A 77 4.407 10.241 -0.095 1.00 0.15 H new ATOM 0 HA LEU A 77 3.138 10.105 -2.784 1.00 61.52 H new ATOM 0 HB2 LEU A 77 1.795 10.264 -0.054 1.00 31.30 H new ATOM 0 HB3 LEU A 77 1.003 10.090 -1.608 1.00 31.30 H new ATOM 0 HG LEU A 77 2.778 7.988 -0.280 1.00 24.54 H new ATOM 0 HD11 LEU A 77 0.689 6.695 -0.022 1.00 43.32 H new ATOM 0 HD12 LEU A 77 0.627 8.238 0.862 1.00 43.32 H new ATOM 0 HD13 LEU A 77 -0.234 8.065 -0.685 1.00 43.32 H new ATOM 0 HD21 LEU A 77 2.044 6.487 -2.104 1.00 11.54 H new ATOM 0 HD22 LEU A 77 1.190 7.846 -2.872 1.00 11.54 H new ATOM 0 HD23 LEU A 77 2.963 7.879 -2.723 1.00 11.54 H new ATOM 1236 N GLU A 78 2.706 12.603 -2.797 1.00 42.11 N ATOM 1237 CA GLU A 78 2.481 14.052 -2.844 1.00 52.52 C ATOM 1238 C GLU A 78 0.983 14.306 -2.631 1.00 44.43 C ATOM 1239 O GLU A 78 0.170 14.105 -3.542 1.00 30.11 O ATOM 1240 CB GLU A 78 2.947 14.624 -4.200 1.00 73.42 C ATOM 1241 CG GLU A 78 2.719 16.126 -4.385 1.00 51.35 C ATOM 1242 CD GLU A 78 3.105 16.604 -5.792 1.00 42.40 C ATOM 1243 OE1 GLU A 78 2.209 16.986 -6.576 1.00 53.21 O ATOM 1244 OE2 GLU A 78 4.308 16.562 -6.134 1.00 3.21 O ATOM 0 H GLU A 78 2.567 12.134 -3.692 1.00 42.11 H new ATOM 0 HA GLU A 78 3.056 14.550 -2.063 1.00 52.52 H new ATOM 0 HB2 GLU A 78 4.011 14.417 -4.318 1.00 73.42 H new ATOM 0 HB3 GLU A 78 2.428 14.093 -4.998 1.00 73.42 H new ATOM 0 HG2 GLU A 78 1.670 16.358 -4.200 1.00 51.35 H new ATOM 0 HG3 GLU A 78 3.302 16.674 -3.645 1.00 51.35 H new ATOM 1251 N GLU A 79 0.645 14.715 -1.408 1.00 52.04 N ATOM 1252 CA GLU A 79 -0.725 15.017 -0.983 1.00 2.01 C ATOM 1253 C GLU A 79 -0.986 16.522 -1.120 1.00 70.43 C ATOM 1254 O GLU A 79 -0.380 17.336 -0.410 1.00 74.12 O ATOM 1255 CB GLU A 79 -0.924 14.557 0.486 1.00 42.10 C ATOM 1256 CG GLU A 79 -0.539 13.081 0.744 1.00 55.11 C ATOM 1257 CD GLU A 79 -0.650 12.678 2.213 1.00 1.31 C ATOM 1258 OE1 GLU A 79 -1.275 11.636 2.535 1.00 23.25 O ATOM 1259 OE2 GLU A 79 -0.119 13.423 3.065 1.00 71.54 O ATOM 0 H GLU A 79 1.332 14.849 -0.666 1.00 52.04 H new ATOM 0 HA GLU A 79 -1.434 14.483 -1.615 1.00 2.01 H new ATOM 0 HB2 GLU A 79 -0.329 15.196 1.139 1.00 42.10 H new ATOM 0 HB3 GLU A 79 -1.968 14.702 0.763 1.00 42.10 H new ATOM 0 HG2 GLU A 79 -1.183 12.435 0.147 1.00 55.11 H new ATOM 0 HG3 GLU A 79 0.483 12.914 0.404 1.00 55.11 H new ATOM 1266 N THR A 80 -1.877 16.875 -2.051 1.00 53.52 N ATOM 1267 CA THR A 80 -2.362 18.236 -2.231 1.00 63.51 C ATOM 1268 C THR A 80 -3.575 18.430 -1.300 1.00 2.01 C ATOM 1269 O THR A 80 -4.673 17.915 -1.570 1.00 72.31 O ATOM 1270 CB THR A 80 -2.777 18.510 -3.716 1.00 40.34 C ATOM 1271 OG1 THR A 80 -1.767 18.011 -4.598 1.00 64.41 O ATOM 1272 CG2 THR A 80 -2.982 20.021 -3.989 1.00 41.42 C ATOM 0 H THR A 80 -2.284 16.209 -2.708 1.00 53.52 H new ATOM 0 HA THR A 80 -1.565 18.939 -1.987 1.00 63.51 H new ATOM 0 HB THR A 80 -3.724 18.000 -3.892 1.00 40.34 H new ATOM 0 HG1 THR A 80 -2.030 18.182 -5.526 1.00 64.41 H new ATOM 0 HG21 THR A 80 -3.269 20.167 -5.030 1.00 41.42 H new ATOM 0 HG22 THR A 80 -3.768 20.405 -3.339 1.00 41.42 H new ATOM 0 HG23 THR A 80 -2.053 20.556 -3.790 1.00 41.42 H new ATOM 1280 N THR A 81 -3.332 19.125 -0.188 1.00 44.12 N ATOM 1281 CA THR A 81 -4.340 19.442 0.825 1.00 32.02 C ATOM 1282 C THR A 81 -4.180 20.919 1.205 1.00 65.05 C ATOM 1283 O THR A 81 -3.053 21.402 1.349 1.00 23.13 O ATOM 1284 CB THR A 81 -4.200 18.512 2.081 1.00 14.33 C ATOM 1285 OG1 THR A 81 -5.207 18.834 3.055 1.00 71.35 O ATOM 1286 CG2 THR A 81 -2.793 18.581 2.721 1.00 10.51 C ATOM 0 H THR A 81 -2.408 19.492 0.039 1.00 44.12 H new ATOM 0 HA THR A 81 -5.338 19.268 0.422 1.00 32.02 H new ATOM 0 HB THR A 81 -4.342 17.488 1.735 1.00 14.33 H new ATOM 0 HG1 THR A 81 -5.110 18.246 3.833 1.00 71.35 H new ATOM 0 HG21 THR A 81 -2.754 17.918 3.585 1.00 10.51 H new ATOM 0 HG22 THR A 81 -2.046 18.270 1.991 1.00 10.51 H new ATOM 0 HG23 THR A 81 -2.587 19.603 3.038 1.00 10.51 H new ATOM 1294 N GLY A 82 -5.309 21.648 1.292 1.00 44.21 N ATOM 1295 CA GLY A 82 -5.289 23.102 1.488 1.00 71.30 C ATOM 1296 C GLY A 82 -4.698 23.848 0.289 1.00 13.33 C ATOM 1297 O GLY A 82 -4.309 25.013 0.408 1.00 11.52 O ATOM 0 H GLY A 82 -6.246 21.249 1.229 1.00 44.21 H new ATOM 0 HA2 GLY A 82 -6.305 23.455 1.667 1.00 71.30 H new ATOM 0 HA3 GLY A 82 -4.708 23.337 2.380 1.00 71.30 H new ATOM 1301 N GLY A 83 -4.626 23.149 -0.867 1.00 45.21 N ATOM 1302 CA GLY A 83 -4.009 23.678 -2.089 1.00 60.42 C ATOM 1303 C GLY A 83 -2.487 23.528 -2.118 1.00 55.24 C ATOM 1304 O GLY A 83 -1.862 23.772 -3.159 1.00 34.13 O ATOM 0 H GLY A 83 -4.996 22.204 -0.971 1.00 45.21 H new ATOM 0 HA2 GLY A 83 -4.433 23.165 -2.952 1.00 60.42 H new ATOM 0 HA3 GLY A 83 -4.264 24.733 -2.188 1.00 60.42 H new ATOM 1308 N THR A 84 -1.892 23.125 -0.979 1.00 62.43 N ATOM 1309 CA THR A 84 -0.430 23.062 -0.792 1.00 65.12 C ATOM 1310 C THR A 84 0.099 21.641 -1.043 1.00 42.22 C ATOM 1311 O THR A 84 -0.614 20.647 -0.824 1.00 65.22 O ATOM 1312 CB THR A 84 -0.021 23.531 0.649 1.00 71.41 C ATOM 1313 OG1 THR A 84 -0.588 22.663 1.642 1.00 24.11 O ATOM 1314 CG2 THR A 84 -0.465 24.977 0.933 1.00 11.03 C ATOM 0 H THR A 84 -2.417 22.831 -0.156 1.00 62.43 H new ATOM 0 HA THR A 84 0.018 23.738 -1.520 1.00 65.12 H new ATOM 0 HB THR A 84 1.067 23.489 0.697 1.00 71.41 H new ATOM 0 HG1 THR A 84 -1.434 22.296 1.311 1.00 24.11 H new ATOM 0 HG21 THR A 84 -0.161 25.260 1.941 1.00 11.03 H new ATOM 0 HG22 THR A 84 0.001 25.649 0.212 1.00 11.03 H new ATOM 0 HG23 THR A 84 -1.549 25.048 0.847 1.00 11.03 H new ATOM 1322 N THR A 85 1.358 21.567 -1.493 1.00 74.41 N ATOM 1323 CA THR A 85 2.065 20.313 -1.747 1.00 50.13 C ATOM 1324 C THR A 85 2.699 19.821 -0.442 1.00 33.25 C ATOM 1325 O THR A 85 3.568 20.500 0.121 1.00 3.11 O ATOM 1326 CB THR A 85 3.186 20.523 -2.817 1.00 15.15 C ATOM 1327 OG1 THR A 85 2.598 21.038 -4.014 1.00 14.01 O ATOM 1328 CG2 THR A 85 3.959 19.232 -3.137 1.00 71.34 C ATOM 0 H THR A 85 1.921 22.394 -1.693 1.00 74.41 H new ATOM 0 HA THR A 85 1.355 19.576 -2.122 1.00 50.13 H new ATOM 0 HB THR A 85 3.906 21.228 -2.402 1.00 15.15 H new ATOM 0 HG1 THR A 85 3.295 21.174 -4.689 1.00 14.01 H new ATOM 0 HG21 THR A 85 4.723 19.441 -3.886 1.00 71.34 H new ATOM 0 HG22 THR A 85 4.433 18.857 -2.230 1.00 71.34 H new ATOM 0 HG23 THR A 85 3.269 18.481 -3.523 1.00 71.34 H new ATOM 1336 N THR A 86 2.241 18.663 0.042 1.00 61.32 N ATOM 1337 CA THR A 86 2.778 18.017 1.244 1.00 62.04 C ATOM 1338 C THR A 86 3.284 16.613 0.866 1.00 24.12 C ATOM 1339 O THR A 86 2.484 15.732 0.555 1.00 3.24 O ATOM 1340 CB THR A 86 1.677 17.912 2.358 1.00 45.14 C ATOM 1341 OG1 THR A 86 1.104 19.216 2.596 1.00 62.42 O ATOM 1342 CG2 THR A 86 2.239 17.324 3.678 1.00 52.02 C ATOM 0 H THR A 86 1.480 18.142 -0.393 1.00 61.32 H new ATOM 0 HA THR A 86 3.599 18.615 1.639 1.00 62.04 H new ATOM 0 HB THR A 86 0.905 17.229 2.003 1.00 45.14 H new ATOM 0 HG1 THR A 86 0.416 19.149 3.290 1.00 62.42 H new ATOM 0 HG21 THR A 86 1.443 17.270 4.420 1.00 52.02 H new ATOM 0 HG22 THR A 86 2.631 16.324 3.493 1.00 52.02 H new ATOM 0 HG23 THR A 86 3.039 17.964 4.050 1.00 52.02 H new ATOM 1350 N ASN A 87 4.610 16.413 0.900 1.00 32.15 N ATOM 1351 CA ASN A 87 5.246 15.121 0.593 1.00 64.43 C ATOM 1352 C ASN A 87 5.371 14.322 1.890 1.00 33.42 C ATOM 1353 O ASN A 87 6.217 14.627 2.735 1.00 23.15 O ATOM 1354 CB ASN A 87 6.633 15.345 -0.073 1.00 51.12 C ATOM 1355 CG ASN A 87 6.516 15.996 -1.457 1.00 32.33 C ATOM 1356 OD1 ASN A 87 6.466 17.218 -1.578 1.00 71.55 O ATOM 1357 ND2 ASN A 87 6.459 15.185 -2.501 1.00 14.22 N ATOM 0 H ASN A 87 5.276 17.147 1.143 1.00 32.15 H new ATOM 0 HA ASN A 87 4.636 14.560 -0.115 1.00 64.43 H new ATOM 0 HB2 ASN A 87 7.246 15.975 0.572 1.00 51.12 H new ATOM 0 HB3 ASN A 87 7.148 14.389 -0.166 1.00 51.12 H new ATOM 0 HD21 ASN A 87 6.371 15.570 -3.442 1.00 14.22 H new ATOM 0 HD22 ASN A 87 6.503 14.175 -2.365 1.00 14.22 H new ATOM 1364 N THR A 88 4.475 13.344 2.060 1.00 14.41 N ATOM 1365 CA THR A 88 4.437 12.473 3.240 1.00 51.24 C ATOM 1366 C THR A 88 4.836 11.052 2.832 1.00 4.10 C ATOM 1367 O THR A 88 4.253 10.472 1.903 1.00 21.15 O ATOM 1368 CB THR A 88 3.015 12.473 3.889 1.00 74.22 C ATOM 1369 OG1 THR A 88 2.633 13.822 4.205 1.00 44.15 O ATOM 1370 CG2 THR A 88 2.947 11.612 5.163 1.00 33.14 C ATOM 0 H THR A 88 3.749 13.133 1.376 1.00 14.41 H new ATOM 0 HA THR A 88 5.141 12.851 3.981 1.00 51.24 H new ATOM 0 HB THR A 88 2.327 12.038 3.164 1.00 74.22 H new ATOM 0 HG1 THR A 88 1.709 13.976 3.918 1.00 44.15 H new ATOM 0 HG21 THR A 88 1.938 11.647 5.573 1.00 33.14 H new ATOM 0 HG22 THR A 88 3.204 10.581 4.920 1.00 33.14 H new ATOM 0 HG23 THR A 88 3.651 11.997 5.900 1.00 33.14 H new ATOM 1378 N THR A 89 5.834 10.501 3.528 1.00 34.24 N ATOM 1379 CA THR A 89 6.367 9.174 3.236 1.00 70.41 C ATOM 1380 C THR A 89 5.625 8.130 4.076 1.00 25.24 C ATOM 1381 O THR A 89 5.634 8.206 5.301 1.00 22.54 O ATOM 1382 CB THR A 89 7.900 9.099 3.541 1.00 1.22 C ATOM 1383 OG1 THR A 89 8.547 10.267 3.019 1.00 40.11 O ATOM 1384 CG2 THR A 89 8.541 7.842 2.920 1.00 74.14 C ATOM 0 H THR A 89 6.294 10.966 4.311 1.00 34.24 H new ATOM 0 HA THR A 89 6.221 8.972 2.175 1.00 70.41 H new ATOM 0 HB THR A 89 8.027 9.046 4.622 1.00 1.22 H new ATOM 0 HG1 THR A 89 9.507 10.222 3.211 1.00 40.11 H new ATOM 0 HG21 THR A 89 9.606 7.824 3.153 1.00 74.14 H new ATOM 0 HG22 THR A 89 8.065 6.951 3.329 1.00 74.14 H new ATOM 0 HG23 THR A 89 8.406 7.861 1.839 1.00 74.14 H new ATOM 1392 N TYR A 90 4.988 7.168 3.424 1.00 12.24 N ATOM 1393 CA TYR A 90 4.371 6.025 4.096 1.00 72.02 C ATOM 1394 C TYR A 90 5.315 4.841 3.907 1.00 21.11 C ATOM 1395 O TYR A 90 5.759 4.578 2.796 1.00 75.14 O ATOM 1396 CB TYR A 90 2.969 5.729 3.497 1.00 11.42 C ATOM 1397 CG TYR A 90 1.901 6.792 3.837 1.00 2.43 C ATOM 1398 CD1 TYR A 90 0.934 6.546 4.818 1.00 73.13 C ATOM 1399 CD2 TYR A 90 1.861 8.022 3.180 1.00 42.34 C ATOM 1400 CE1 TYR A 90 -0.030 7.480 5.124 1.00 50.42 C ATOM 1401 CE2 TYR A 90 0.895 8.966 3.486 1.00 42.01 C ATOM 1402 CZ TYR A 90 -0.048 8.686 4.459 1.00 31.21 C ATOM 1403 OH TYR A 90 -1.020 9.607 4.766 1.00 4.31 O ATOM 0 H TYR A 90 4.882 7.155 2.410 1.00 12.24 H new ATOM 0 HA TYR A 90 4.220 6.227 5.156 1.00 72.02 H new ATOM 0 HB2 TYR A 90 3.058 5.652 2.413 1.00 11.42 H new ATOM 0 HB3 TYR A 90 2.629 4.759 3.859 1.00 11.42 H new ATOM 0 HD1 TYR A 90 0.944 5.604 5.346 1.00 73.13 H new ATOM 0 HD2 TYR A 90 2.596 8.242 2.420 1.00 42.34 H new ATOM 0 HE1 TYR A 90 -0.769 7.268 5.882 1.00 50.42 H new ATOM 0 HE2 TYR A 90 0.878 9.914 2.969 1.00 42.01 H new ATOM 0 HH TYR A 90 -1.094 10.259 4.038 1.00 4.31 H new ATOM 1413 N GLU A 91 5.682 4.173 5.001 1.00 4.11 N ATOM 1414 CA GLU A 91 6.604 3.042 4.961 1.00 34.21 C ATOM 1415 C GLU A 91 5.814 1.775 5.306 1.00 32.13 C ATOM 1416 O GLU A 91 5.490 1.535 6.472 1.00 52.13 O ATOM 1417 CB GLU A 91 7.773 3.281 5.944 1.00 70.35 C ATOM 1418 CG GLU A 91 8.932 2.293 5.770 1.00 31.20 C ATOM 1419 CD GLU A 91 10.071 2.526 6.768 1.00 1.20 C ATOM 1420 OE1 GLU A 91 9.965 2.055 7.920 1.00 54.34 O ATOM 1421 OE2 GLU A 91 11.066 3.197 6.408 1.00 51.52 O ATOM 0 H GLU A 91 5.348 4.402 5.937 1.00 4.11 H new ATOM 0 HA GLU A 91 7.041 2.927 3.969 1.00 34.21 H new ATOM 0 HB2 GLU A 91 8.148 4.296 5.810 1.00 70.35 H new ATOM 0 HB3 GLU A 91 7.398 3.212 6.965 1.00 70.35 H new ATOM 0 HG2 GLU A 91 8.556 1.276 5.886 1.00 31.20 H new ATOM 0 HG3 GLU A 91 9.323 2.374 4.756 1.00 31.20 H new ATOM 1428 N LEU A 92 5.477 0.994 4.274 1.00 53.25 N ATOM 1429 CA LEU A 92 4.641 -0.204 4.403 1.00 32.43 C ATOM 1430 C LEU A 92 5.551 -1.406 4.648 1.00 51.00 C ATOM 1431 O LEU A 92 6.262 -1.858 3.749 1.00 21.44 O ATOM 1432 CB LEU A 92 3.746 -0.399 3.143 1.00 54.04 C ATOM 1433 CG LEU A 92 2.564 0.618 2.979 1.00 42.04 C ATOM 1434 CD1 LEU A 92 3.048 2.055 2.726 1.00 62.15 C ATOM 1435 CD2 LEU A 92 1.576 0.169 1.891 1.00 70.43 C ATOM 0 H LEU A 92 5.780 1.177 3.317 1.00 53.25 H new ATOM 0 HA LEU A 92 3.962 -0.095 5.249 1.00 32.43 H new ATOM 0 HB2 LEU A 92 4.379 -0.336 2.258 1.00 54.04 H new ATOM 0 HB3 LEU A 92 3.332 -1.407 3.168 1.00 54.04 H new ATOM 0 HG LEU A 92 2.035 0.626 3.932 1.00 42.04 H new ATOM 0 HD11 LEU A 92 2.187 2.716 2.620 1.00 62.15 H new ATOM 0 HD12 LEU A 92 3.659 2.386 3.566 1.00 62.15 H new ATOM 0 HD13 LEU A 92 3.641 2.083 1.812 1.00 62.15 H new ATOM 0 HD21 LEU A 92 0.771 0.899 1.807 1.00 70.43 H new ATOM 0 HD22 LEU A 92 2.097 0.091 0.937 1.00 70.43 H new ATOM 0 HD23 LEU A 92 1.159 -0.802 2.157 1.00 70.43 H new ATOM 1447 N ARG A 93 5.531 -1.875 5.894 1.00 41.40 N ATOM 1448 CA ARG A 93 6.364 -2.965 6.374 1.00 73.35 C ATOM 1449 C ARG A 93 5.586 -4.278 6.194 1.00 40.11 C ATOM 1450 O ARG A 93 4.716 -4.603 7.000 1.00 44.12 O ATOM 1451 CB ARG A 93 6.699 -2.678 7.869 1.00 61.43 C ATOM 1452 CG ARG A 93 7.669 -3.676 8.528 1.00 44.41 C ATOM 1453 CD ARG A 93 8.071 -3.274 9.958 1.00 61.13 C ATOM 1454 NE ARG A 93 6.968 -3.421 10.929 1.00 13.54 N ATOM 1455 CZ ARG A 93 6.754 -2.624 11.990 1.00 54.45 C ATOM 1456 NH1 ARG A 93 7.555 -1.590 12.242 1.00 11.12 N ATOM 1457 NH2 ARG A 93 5.741 -2.867 12.798 1.00 22.13 N ATOM 0 H ARG A 93 4.917 -1.494 6.614 1.00 41.40 H new ATOM 0 HA ARG A 93 7.299 -3.051 5.820 1.00 73.35 H new ATOM 0 HB2 ARG A 93 7.126 -1.678 7.943 1.00 61.43 H new ATOM 0 HB3 ARG A 93 5.769 -2.670 8.438 1.00 61.43 H new ATOM 0 HG2 ARG A 93 7.206 -4.662 8.551 1.00 44.41 H new ATOM 0 HG3 ARG A 93 8.566 -3.760 7.915 1.00 44.41 H new ATOM 0 HD2 ARG A 93 8.914 -3.886 10.278 1.00 61.13 H new ATOM 0 HD3 ARG A 93 8.411 -2.238 9.957 1.00 61.13 H new ATOM 0 HE ARG A 93 6.315 -4.191 10.782 1.00 13.54 H new ATOM 0 HH11 ARG A 93 8.344 -1.394 11.626 1.00 11.12 H new ATOM 0 HH12 ARG A 93 7.380 -0.994 13.051 1.00 11.12 H new ATOM 0 HH21 ARG A 93 5.123 -3.658 12.617 1.00 22.13 H new ATOM 0 HH22 ARG A 93 5.576 -2.264 13.604 1.00 22.13 H new ATOM 1471 N PHE A 94 5.884 -5.000 5.106 1.00 61.14 N ATOM 1472 CA PHE A 94 5.212 -6.253 4.768 1.00 52.02 C ATOM 1473 C PHE A 94 5.950 -7.411 5.441 1.00 63.30 C ATOM 1474 O PHE A 94 7.066 -7.771 5.037 1.00 62.03 O ATOM 1475 CB PHE A 94 5.195 -6.456 3.232 1.00 71.13 C ATOM 1476 CG PHE A 94 4.427 -5.390 2.457 1.00 10.23 C ATOM 1477 CD1 PHE A 94 5.077 -4.275 1.941 1.00 60.42 C ATOM 1478 CD2 PHE A 94 3.053 -5.508 2.249 1.00 31.13 C ATOM 1479 CE1 PHE A 94 4.377 -3.311 1.241 1.00 71.30 C ATOM 1480 CE2 PHE A 94 2.356 -4.542 1.548 1.00 11.24 C ATOM 1481 CZ PHE A 94 3.019 -3.445 1.045 1.00 42.02 C ATOM 0 H PHE A 94 6.602 -4.727 4.435 1.00 61.14 H new ATOM 0 HA PHE A 94 4.182 -6.219 5.122 1.00 52.02 H new ATOM 0 HB2 PHE A 94 6.223 -6.479 2.871 1.00 71.13 H new ATOM 0 HB3 PHE A 94 4.759 -7.430 3.013 1.00 71.13 H new ATOM 0 HD1 PHE A 94 6.141 -4.161 2.089 1.00 60.42 H new ATOM 0 HD2 PHE A 94 2.527 -6.366 2.641 1.00 31.13 H new ATOM 0 HE1 PHE A 94 4.895 -2.450 0.846 1.00 71.30 H new ATOM 0 HE2 PHE A 94 1.292 -4.648 1.395 1.00 11.24 H new ATOM 0 HZ PHE A 94 2.475 -2.690 0.497 1.00 42.02 H new ATOM 1491 N GLU A 95 5.314 -7.973 6.475 1.00 4.51 N ATOM 1492 CA GLU A 95 5.847 -9.105 7.226 1.00 22.33 C ATOM 1493 C GLU A 95 5.316 -10.380 6.549 1.00 64.44 C ATOM 1494 O GLU A 95 4.099 -10.542 6.383 1.00 42.13 O ATOM 1495 CB GLU A 95 5.438 -8.981 8.730 1.00 74.33 C ATOM 1496 CG GLU A 95 6.320 -9.765 9.732 1.00 21.10 C ATOM 1497 CD GLU A 95 6.078 -11.280 9.709 1.00 14.31 C ATOM 1498 OE1 GLU A 95 5.054 -11.728 10.252 1.00 25.40 O ATOM 1499 OE2 GLU A 95 6.883 -12.023 9.121 1.00 33.14 O ATOM 0 H GLU A 95 4.408 -7.649 6.813 1.00 4.51 H new ATOM 0 HA GLU A 95 6.937 -9.134 7.218 1.00 22.33 H new ATOM 0 HB2 GLU A 95 5.455 -7.927 9.007 1.00 74.33 H new ATOM 0 HB3 GLU A 95 4.408 -9.322 8.837 1.00 74.33 H new ATOM 0 HG2 GLU A 95 7.369 -9.570 9.510 1.00 21.10 H new ATOM 0 HG3 GLU A 95 6.132 -9.391 10.738 1.00 21.10 H new ATOM 1506 N VAL A 96 6.246 -11.272 6.188 1.00 32.32 N ATOM 1507 CA VAL A 96 6.013 -12.372 5.231 1.00 55.12 C ATOM 1508 C VAL A 96 5.866 -13.733 5.950 1.00 71.31 C ATOM 1509 O VAL A 96 6.454 -13.958 7.007 1.00 22.32 O ATOM 1510 CB VAL A 96 7.191 -12.428 4.177 1.00 75.12 C ATOM 1511 CG1 VAL A 96 7.341 -11.062 3.456 1.00 3.14 C ATOM 1512 CG2 VAL A 96 8.527 -12.850 4.842 1.00 3.41 C ATOM 0 H VAL A 96 7.197 -11.254 6.555 1.00 32.32 H new ATOM 0 HA VAL A 96 5.075 -12.174 4.712 1.00 55.12 H new ATOM 0 HB VAL A 96 6.940 -13.186 3.435 1.00 75.12 H new ATOM 0 HG11 VAL A 96 8.156 -11.119 2.735 1.00 3.14 H new ATOM 0 HG12 VAL A 96 6.413 -10.821 2.937 1.00 3.14 H new ATOM 0 HG13 VAL A 96 7.559 -10.286 4.189 1.00 3.14 H new ATOM 0 HG21 VAL A 96 9.315 -12.878 4.089 1.00 3.41 H new ATOM 0 HG22 VAL A 96 8.791 -12.130 5.617 1.00 3.41 H new ATOM 0 HG23 VAL A 96 8.415 -13.838 5.288 1.00 3.41 H new ATOM 1522 N ASP A 97 5.061 -14.620 5.358 1.00 44.43 N ATOM 1523 CA ASP A 97 4.803 -15.982 5.857 1.00 23.21 C ATOM 1524 C ASP A 97 4.838 -16.972 4.664 1.00 14.32 C ATOM 1525 O ASP A 97 3.833 -17.158 3.960 1.00 75.01 O ATOM 1526 CB ASP A 97 3.438 -16.016 6.605 1.00 12.41 C ATOM 1527 CG ASP A 97 2.999 -17.421 7.055 1.00 3.13 C ATOM 1528 OD1 ASP A 97 1.975 -17.937 6.551 1.00 70.34 O ATOM 1529 OD2 ASP A 97 3.690 -18.022 7.889 1.00 21.41 O ATOM 0 H ASP A 97 4.556 -14.410 4.497 1.00 44.43 H new ATOM 0 HA ASP A 97 5.573 -16.281 6.568 1.00 23.21 H new ATOM 0 HB2 ASP A 97 3.500 -15.369 7.480 1.00 12.41 H new ATOM 0 HB3 ASP A 97 2.670 -15.599 5.954 1.00 12.41 H new ATOM 1534 N GLY A 98 6.034 -17.545 4.421 1.00 65.15 N ATOM 1535 CA GLY A 98 6.247 -18.512 3.346 1.00 23.22 C ATOM 1536 C GLY A 98 6.257 -17.837 1.981 1.00 43.03 C ATOM 1537 O GLY A 98 7.235 -17.177 1.620 1.00 1.20 O ATOM 0 H GLY A 98 6.872 -17.346 4.967 1.00 65.15 H new ATOM 0 HA2 GLY A 98 7.193 -19.030 3.504 1.00 23.22 H new ATOM 0 HA3 GLY A 98 5.461 -19.267 3.374 1.00 23.22 H new ATOM 1541 N ASP A 99 5.137 -17.963 1.248 1.00 32.42 N ATOM 1542 CA ASP A 99 4.969 -17.404 -0.119 1.00 21.53 C ATOM 1543 C ASP A 99 3.926 -16.266 -0.128 1.00 73.40 C ATOM 1544 O ASP A 99 3.765 -15.577 -1.137 1.00 52.11 O ATOM 1545 CB ASP A 99 4.543 -18.520 -1.110 1.00 44.23 C ATOM 1546 CG ASP A 99 5.545 -19.684 -1.166 1.00 62.33 C ATOM 1547 OD1 ASP A 99 5.455 -20.600 -0.313 1.00 50.04 O ATOM 1548 OD2 ASP A 99 6.416 -19.693 -2.057 1.00 32.53 O ATOM 0 H ASP A 99 4.312 -18.459 1.584 1.00 32.42 H new ATOM 0 HA ASP A 99 5.928 -16.994 -0.435 1.00 21.53 H new ATOM 0 HB2 ASP A 99 3.565 -18.903 -0.819 1.00 44.23 H new ATOM 0 HB3 ASP A 99 4.435 -18.092 -2.107 1.00 44.23 H new ATOM 1553 N THR A 100 3.203 -16.099 0.986 1.00 63.23 N ATOM 1554 CA THR A 100 2.207 -15.020 1.152 1.00 42.44 C ATOM 1555 C THR A 100 2.743 -13.974 2.133 1.00 63.13 C ATOM 1556 O THR A 100 3.751 -14.200 2.807 1.00 12.43 O ATOM 1557 CB THR A 100 0.823 -15.578 1.653 1.00 71.25 C ATOM 1558 OG1 THR A 100 -0.169 -14.535 1.688 1.00 3.02 O ATOM 1559 CG2 THR A 100 0.909 -16.215 3.052 1.00 35.44 C ATOM 0 H THR A 100 3.288 -16.706 1.801 1.00 63.23 H new ATOM 0 HA THR A 100 2.040 -14.559 0.179 1.00 42.44 H new ATOM 0 HB THR A 100 0.537 -16.350 0.939 1.00 71.25 H new ATOM 0 HG1 THR A 100 -1.021 -14.904 2.000 1.00 3.02 H new ATOM 0 HG21 THR A 100 -0.074 -16.582 3.346 1.00 35.44 H new ATOM 0 HG22 THR A 100 1.615 -17.045 3.031 1.00 35.44 H new ATOM 0 HG23 THR A 100 1.247 -15.469 3.771 1.00 35.44 H new ATOM 1567 N ILE A 101 2.084 -12.817 2.173 1.00 2.14 N ATOM 1568 CA ILE A 101 2.349 -11.766 3.165 1.00 52.22 C ATOM 1569 C ILE A 101 1.082 -11.612 4.033 1.00 31.45 C ATOM 1570 O ILE A 101 0.008 -11.322 3.502 1.00 61.35 O ATOM 1571 CB ILE A 101 2.701 -10.399 2.467 1.00 35.33 C ATOM 1572 CG1 ILE A 101 3.861 -10.562 1.428 1.00 63.44 C ATOM 1573 CG2 ILE A 101 3.044 -9.326 3.523 1.00 21.20 C ATOM 1574 CD1 ILE A 101 4.188 -9.300 0.626 1.00 50.11 C ATOM 0 H ILE A 101 1.344 -12.577 1.514 1.00 2.14 H new ATOM 0 HA ILE A 101 3.206 -12.044 3.778 1.00 52.22 H new ATOM 0 HB ILE A 101 1.821 -10.069 1.915 1.00 35.33 H new ATOM 0 HG12 ILE A 101 4.759 -10.883 1.955 1.00 63.44 H new ATOM 0 HG13 ILE A 101 3.597 -11.359 0.733 1.00 63.44 H new ATOM 0 HG21 ILE A 101 3.285 -8.388 3.023 1.00 21.20 H new ATOM 0 HG22 ILE A 101 2.188 -9.177 4.182 1.00 21.20 H new ATOM 0 HG23 ILE A 101 3.901 -9.655 4.110 1.00 21.20 H new ATOM 0 HD11 ILE A 101 5.003 -9.510 -0.067 1.00 50.11 H new ATOM 0 HD12 ILE A 101 3.307 -8.987 0.066 1.00 50.11 H new ATOM 0 HD13 ILE A 101 4.487 -8.503 1.307 1.00 50.11 H new ATOM 1586 N ARG A 102 1.203 -11.826 5.357 1.00 62.42 N ATOM 1587 CA ARG A 102 0.038 -11.767 6.278 1.00 71.20 C ATOM 1588 C ARG A 102 -0.190 -10.337 6.793 1.00 43.11 C ATOM 1589 O ARG A 102 -1.329 -9.940 7.053 1.00 22.11 O ATOM 1590 CB ARG A 102 0.227 -12.721 7.489 1.00 3.02 C ATOM 1591 CG ARG A 102 0.447 -14.207 7.121 1.00 61.43 C ATOM 1592 CD ARG A 102 -0.743 -14.847 6.387 1.00 43.11 C ATOM 1593 NE ARG A 102 -0.475 -16.267 6.069 1.00 73.32 N ATOM 1594 CZ ARG A 102 -1.406 -17.218 5.899 1.00 42.52 C ATOM 1595 NH1 ARG A 102 -2.705 -16.937 6.021 1.00 41.34 N ATOM 1596 NH2 ARG A 102 -1.029 -18.453 5.602 1.00 4.50 N ATOM 0 H ARG A 102 2.088 -12.041 5.817 1.00 62.42 H new ATOM 0 HA ARG A 102 -0.834 -12.086 5.708 1.00 71.20 H new ATOM 0 HB2 ARG A 102 1.080 -12.377 8.074 1.00 3.02 H new ATOM 0 HB3 ARG A 102 -0.651 -12.647 8.131 1.00 3.02 H new ATOM 0 HG2 ARG A 102 1.335 -14.289 6.494 1.00 61.43 H new ATOM 0 HG3 ARG A 102 0.646 -14.772 8.032 1.00 61.43 H new ATOM 0 HD2 ARG A 102 -1.638 -14.773 7.005 1.00 43.11 H new ATOM 0 HD3 ARG A 102 -0.945 -14.298 5.467 1.00 43.11 H new ATOM 0 HE ARG A 102 0.501 -16.547 5.971 1.00 73.32 H new ATOM 0 HH11 ARG A 102 -3.002 -15.988 6.247 1.00 41.34 H new ATOM 0 HH12 ARG A 102 -3.400 -17.671 5.889 1.00 41.34 H new ATOM 0 HH21 ARG A 102 -0.038 -18.674 5.504 1.00 4.50 H new ATOM 0 HH22 ARG A 102 -1.730 -19.183 5.471 1.00 4.50 H new ATOM 1610 N ARG A 103 0.903 -9.566 6.921 1.00 55.11 N ATOM 1611 CA ARG A 103 0.911 -8.307 7.694 1.00 74.14 C ATOM 1612 C ARG A 103 1.504 -7.159 6.865 1.00 15.14 C ATOM 1613 O ARG A 103 2.389 -7.377 6.036 1.00 74.03 O ATOM 1614 CB ARG A 103 1.745 -8.486 8.998 1.00 70.42 C ATOM 1615 CG ARG A 103 1.213 -9.572 9.965 1.00 52.54 C ATOM 1616 CD ARG A 103 2.146 -9.842 11.160 1.00 41.01 C ATOM 1617 NE ARG A 103 1.528 -10.762 12.149 1.00 23.32 N ATOM 1618 CZ ARG A 103 2.145 -11.790 12.770 1.00 23.42 C ATOM 1619 NH1 ARG A 103 3.417 -12.078 12.524 1.00 65.24 N ATOM 1620 NH2 ARG A 103 1.487 -12.511 13.660 1.00 1.30 N ATOM 0 H ARG A 103 1.802 -9.794 6.496 1.00 55.11 H new ATOM 0 HA ARG A 103 -0.120 -8.060 7.949 1.00 74.14 H new ATOM 0 HB2 ARG A 103 2.771 -8.733 8.725 1.00 70.42 H new ATOM 0 HB3 ARG A 103 1.776 -7.533 9.526 1.00 70.42 H new ATOM 0 HG2 ARG A 103 0.236 -9.267 10.339 1.00 52.54 H new ATOM 0 HG3 ARG A 103 1.067 -10.500 9.412 1.00 52.54 H new ATOM 0 HD2 ARG A 103 3.081 -10.271 10.800 1.00 41.01 H new ATOM 0 HD3 ARG A 103 2.394 -8.899 11.647 1.00 41.01 H new ATOM 0 HE ARG A 103 0.547 -10.603 12.380 1.00 23.32 H new ATOM 0 HH11 ARG A 103 3.946 -11.519 11.855 1.00 65.24 H new ATOM 0 HH12 ARG A 103 3.865 -12.859 13.004 1.00 65.24 H new ATOM 0 HH21 ARG A 103 0.515 -12.291 13.877 1.00 1.30 H new ATOM 0 HH22 ARG A 103 1.951 -13.288 14.130 1.00 1.30 H new ATOM 1634 N VAL A 104 0.987 -5.947 7.119 1.00 30.44 N ATOM 1635 CA VAL A 104 1.470 -4.697 6.521 1.00 51.14 C ATOM 1636 C VAL A 104 1.305 -3.547 7.549 1.00 64.23 C ATOM 1637 O VAL A 104 0.183 -3.156 7.908 1.00 4.53 O ATOM 1638 CB VAL A 104 0.740 -4.371 5.154 1.00 64.34 C ATOM 1639 CG1 VAL A 104 -0.802 -4.450 5.276 1.00 4.31 C ATOM 1640 CG2 VAL A 104 1.196 -3.001 4.585 1.00 23.23 C ATOM 0 H VAL A 104 0.205 -5.808 7.759 1.00 30.44 H new ATOM 0 HA VAL A 104 2.526 -4.809 6.277 1.00 51.14 H new ATOM 0 HB VAL A 104 1.037 -5.143 4.444 1.00 64.34 H new ATOM 0 HG11 VAL A 104 -1.256 -4.218 4.312 1.00 4.31 H new ATOM 0 HG12 VAL A 104 -1.092 -5.456 5.581 1.00 4.31 H new ATOM 0 HG13 VAL A 104 -1.145 -3.732 6.021 1.00 4.31 H new ATOM 0 HG21 VAL A 104 0.677 -2.806 3.646 1.00 23.23 H new ATOM 0 HG22 VAL A 104 0.960 -2.213 5.300 1.00 23.23 H new ATOM 0 HG23 VAL A 104 2.271 -3.020 4.408 1.00 23.23 H new ATOM 1650 N THR A 105 2.437 -3.050 8.071 1.00 54.44 N ATOM 1651 CA THR A 105 2.447 -1.907 8.982 1.00 32.14 C ATOM 1652 C THR A 105 2.712 -0.635 8.170 1.00 43.11 C ATOM 1653 O THR A 105 3.850 -0.380 7.765 1.00 2.01 O ATOM 1654 CB THR A 105 3.542 -2.074 10.086 1.00 4.54 C ATOM 1655 OG1 THR A 105 3.404 -3.352 10.718 1.00 4.31 O ATOM 1656 CG2 THR A 105 3.468 -0.965 11.157 1.00 21.45 C ATOM 0 H THR A 105 3.363 -3.430 7.872 1.00 54.44 H new ATOM 0 HA THR A 105 1.480 -1.842 9.481 1.00 32.14 H new ATOM 0 HB THR A 105 4.511 -1.997 9.593 1.00 4.54 H new ATOM 0 HG1 THR A 105 3.398 -3.237 11.691 1.00 4.31 H new ATOM 0 HG21 THR A 105 4.248 -1.125 11.901 1.00 21.45 H new ATOM 0 HG22 THR A 105 3.611 0.007 10.685 1.00 21.45 H new ATOM 0 HG23 THR A 105 2.493 -0.993 11.643 1.00 21.45 H new ATOM 1664 N VAL A 106 1.666 0.163 7.947 1.00 23.34 N ATOM 1665 CA VAL A 106 1.775 1.414 7.207 1.00 10.25 C ATOM 1666 C VAL A 106 2.199 2.508 8.200 1.00 20.41 C ATOM 1667 O VAL A 106 1.389 2.988 8.993 1.00 4.51 O ATOM 1668 CB VAL A 106 0.413 1.792 6.508 1.00 53.33 C ATOM 1669 CG1 VAL A 106 0.560 3.056 5.629 1.00 70.15 C ATOM 1670 CG2 VAL A 106 -0.155 0.599 5.688 1.00 0.52 C ATOM 0 H VAL A 106 0.722 -0.043 8.275 1.00 23.34 H new ATOM 0 HA VAL A 106 2.515 1.310 6.414 1.00 10.25 H new ATOM 0 HB VAL A 106 -0.304 2.021 7.296 1.00 53.33 H new ATOM 0 HG11 VAL A 106 -0.397 3.288 5.162 1.00 70.15 H new ATOM 0 HG12 VAL A 106 0.874 3.896 6.249 1.00 70.15 H new ATOM 0 HG13 VAL A 106 1.307 2.876 4.855 1.00 70.15 H new ATOM 0 HG21 VAL A 106 -1.094 0.894 5.220 1.00 0.52 H new ATOM 0 HG22 VAL A 106 0.561 0.313 4.917 1.00 0.52 H new ATOM 0 HG23 VAL A 106 -0.331 -0.248 6.352 1.00 0.52 H new ATOM 1680 N THR A 107 3.485 2.866 8.161 1.00 43.31 N ATOM 1681 CA THR A 107 4.098 3.772 9.134 1.00 34.05 C ATOM 1682 C THR A 107 4.177 5.184 8.527 1.00 35.34 C ATOM 1683 O THR A 107 4.943 5.419 7.587 1.00 41.25 O ATOM 1684 CB THR A 107 5.519 3.252 9.551 1.00 15.25 C ATOM 1685 OG1 THR A 107 5.458 1.830 9.812 1.00 71.41 O ATOM 1686 CG2 THR A 107 6.046 3.975 10.809 1.00 35.33 C ATOM 0 H THR A 107 4.134 2.533 7.448 1.00 43.31 H new ATOM 0 HA THR A 107 3.487 3.809 10.036 1.00 34.05 H new ATOM 0 HB THR A 107 6.203 3.459 8.728 1.00 15.25 H new ATOM 0 HG1 THR A 107 6.346 1.506 10.071 1.00 71.41 H new ATOM 0 HG21 THR A 107 7.032 3.587 11.065 1.00 35.33 H new ATOM 0 HG22 THR A 107 6.117 5.044 10.611 1.00 35.33 H new ATOM 0 HG23 THR A 107 5.362 3.805 11.640 1.00 35.33 H new ATOM 1694 N GLN A 108 3.350 6.095 9.054 1.00 50.31 N ATOM 1695 CA GLN A 108 3.195 7.455 8.523 1.00 70.22 C ATOM 1696 C GLN A 108 4.351 8.361 9.015 1.00 14.13 C ATOM 1697 O GLN A 108 4.418 8.707 10.200 1.00 32.33 O ATOM 1698 CB GLN A 108 1.821 8.017 8.961 1.00 51.04 C ATOM 1699 CG GLN A 108 1.425 9.352 8.299 1.00 22.22 C ATOM 1700 CD GLN A 108 0.098 9.901 8.824 1.00 34.32 C ATOM 1701 OE1 GLN A 108 -0.247 9.727 9.993 1.00 74.40 O ATOM 1702 NE2 GLN A 108 -0.673 10.534 7.961 1.00 31.11 N ATOM 0 H GLN A 108 2.765 5.907 9.868 1.00 50.31 H new ATOM 0 HA GLN A 108 3.236 7.430 7.434 1.00 70.22 H new ATOM 0 HB2 GLN A 108 1.054 7.276 8.738 1.00 51.04 H new ATOM 0 HB3 GLN A 108 1.828 8.153 10.043 1.00 51.04 H new ATOM 0 HG2 GLN A 108 2.211 10.086 8.473 1.00 22.22 H new ATOM 0 HG3 GLN A 108 1.354 9.211 7.221 1.00 22.22 H new ATOM 0 HE21 GLN A 108 -0.362 10.664 6.998 1.00 31.11 H new ATOM 0 HE22 GLN A 108 -1.581 10.894 8.256 1.00 31.11 H new ATOM 1711 N ASN A 109 5.276 8.675 8.096 1.00 4.13 N ATOM 1712 CA ASN A 109 6.421 9.581 8.332 1.00 20.01 C ATOM 1713 C ASN A 109 6.157 10.906 7.594 1.00 61.30 C ATOM 1714 O ASN A 109 6.252 10.959 6.361 1.00 13.51 O ATOM 1715 CB ASN A 109 7.743 8.935 7.814 1.00 43.33 C ATOM 1716 CG ASN A 109 8.066 7.586 8.470 1.00 35.03 C ATOM 1717 OD1 ASN A 109 8.698 7.537 9.520 1.00 31.25 O ATOM 1718 ND2 ASN A 109 7.630 6.486 7.858 1.00 3.45 N ATOM 0 H ASN A 109 5.253 8.301 7.147 1.00 4.13 H new ATOM 0 HA ASN A 109 6.529 9.764 9.401 1.00 20.01 H new ATOM 0 HB2 ASN A 109 7.672 8.797 6.735 1.00 43.33 H new ATOM 0 HB3 ASN A 109 8.569 9.624 7.993 1.00 43.33 H new ATOM 0 HD21 ASN A 109 7.819 5.569 8.262 1.00 3.45 H new ATOM 0 HD22 ASN A 109 7.107 6.561 6.986 1.00 3.45 H new