USER MOD reduce.3.24.130724 H: found=0, std=0, add=1062, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 1048 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: B 8 HIS : no HD1:sc= -0.153 X(o=-0.26,f=0) USER MOD Set 1.2: B 10 HIS : no HD1:sc= -0.106 X(o=-0.26,f=0) USER MOD Set 2.1: A 6 HIS : no HE2:sc= -0.285 K(o=-0.29,f=-1) USER MOD Set 2.2: B 1 MET CE :methyl -149:sc= 0 (180deg=0) USER MOD Set 3.1: A 61 TYR OH : rot 180:sc= 0.0444 USER MOD Set 3.2: B 66 GLN : amide:sc= 0.156 K(o=0.2,f=-1.7!) USER MOD Set 4.1: A 29 MET CE :methyl 149:sc= -0.0453 (180deg=-0.855) USER MOD Set 4.2: A 33 TYR OH : rot -50:sc= 0.581 USER MOD Set 4.3: B 29 MET CE :methyl 156:sc= -0.211 (180deg=-0.967) USER MOD Set 4.4: B 33 TYR OH : rot 98:sc= 0.646 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 171:sc= 1.22 (180deg=0.825) USER MOD Single : A 3 HIS : no HD1:sc= 0.537 K(o=0.54,f=-2.8!) USER MOD Single : A 4 HIS : no HD1:sc= 0.385 K(o=0.38,f=-3.9!) USER MOD Single : A 5 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 7 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 8 HIS : no HD1:sc= -0.646 X(o=-0.65,f=-0.36) USER MOD Single : A 9 SER OG : rot 1:sc= 0.303 USER MOD Single : A 10 HIS : no HD1:sc= -0.284 K(o=-0.28,f=-0.91) USER MOD Single : A 11 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 15 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0704) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 30 ASN : amide:sc= 0 X(o=0,f=0.25) USER MOD Single : A 31 HIS : no HD1:sc= -1.87! K(o=-1.9!,f=-0.015) USER MOD Single : A 32 CYS SG : rot 73:sc= 0.0274 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 47 THR OG1 : rot 180:sc= -0.101 USER MOD Single : A 48 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 51 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 56 GLN : amide:sc= -0.46 X(o=-0.46,f=0) USER MOD Single : A 66 GLN : amide:sc= -0.672 X(o=-0.67,f=-0.77) USER MOD Single : B 1 MET N :NH3+ -174:sc= 0 (180deg=-0.0325) USER MOD Single : B 3 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 4 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 5 HIS : no HD1:sc= 0.231 K(o=0.23,f=-0.8) USER MOD Single : B 6 HIS : no HD1:sc= -0.57 X(o=-0.57,f=-0.52) USER MOD Single : B 7 HIS : no HD1:sc= -0.625 X(o=-0.63,f=-0.86) USER MOD Single : B 9 SER OG : rot 180:sc= 0 USER MOD Single : B 11 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 24 SER OG : rot 180:sc= -0.0196 USER MOD Single : B 30 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 31 HIS : no HE2:sc= -0.282 K(o=-0.28,f=-2.5) USER MOD Single : B 32 CYS SG : rot 72:sc= 1.02 USER MOD Single : B 34 SER OG : rot 53:sc= 0.98 USER MOD Single : B 47 THR OG1 : rot 180:sc= 0 USER MOD Single : B 48 GLN : amide:sc= 0 X(o=0,f=-0.36) USER MOD Single : B 50 SER OG : rot 180:sc=-0.00928 USER MOD Single : B 51 GLN : amide:sc= 0 X(o=0,f=-0.29) USER MOD Single : B 56 GLN : amide:sc= -1.71! K(o=-1.7!,f=-0.27) USER MOD Single : B 61 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -41.703 28.169 10.976 1.00 13.32 N ATOM 2 CA MET A 1 -41.749 27.099 12.004 1.00 2.34 C ATOM 3 C MET A 1 -40.980 25.841 11.537 1.00 1.14 C ATOM 4 O MET A 1 -41.025 25.475 10.358 1.00 15.20 O ATOM 5 CB MET A 1 -43.216 26.739 12.362 1.00 64.30 C ATOM 6 CG MET A 1 -43.992 27.847 13.093 1.00 51.33 C ATOM 7 SD MET A 1 -44.141 29.369 12.127 1.00 34.43 S ATOM 8 CE MET A 1 -45.100 30.404 13.240 1.00 22.02 C ATOM 0 H1 MET A 1 -42.349 28.938 11.246 1.00 13.32 H new ATOM 0 H2 MET A 1 -40.734 28.540 10.904 1.00 13.32 H new ATOM 0 H3 MET A 1 -41.994 27.780 10.057 1.00 13.32 H new ATOM 0 HA MET A 1 -41.260 27.480 12.900 1.00 2.34 H new ATOM 0 HB2 MET A 1 -43.748 26.487 11.444 1.00 64.30 H new ATOM 0 HB3 MET A 1 -43.214 25.845 12.985 1.00 64.30 H new ATOM 0 HG2 MET A 1 -44.989 27.482 13.339 1.00 51.33 H new ATOM 0 HG3 MET A 1 -43.492 28.070 14.036 1.00 51.33 H new ATOM 0 HE1 MET A 1 -45.270 31.376 12.777 1.00 22.02 H new ATOM 0 HE2 MET A 1 -46.059 29.927 13.445 1.00 22.02 H new ATOM 0 HE3 MET A 1 -44.554 30.537 14.174 1.00 22.02 H new ATOM 20 N GLY A 2 -40.276 25.204 12.486 1.00 23.34 N ATOM 21 CA GLY A 2 -39.482 23.995 12.225 1.00 24.22 C ATOM 22 C GLY A 2 -38.436 23.763 13.315 1.00 71.14 C ATOM 23 O GLY A 2 -37.274 23.445 13.021 1.00 30.11 O ATOM 0 H GLY A 2 -40.242 25.514 13.457 1.00 23.34 H new ATOM 0 HA2 GLY A 2 -40.143 23.131 12.165 1.00 24.22 H new ATOM 0 HA3 GLY A 2 -38.987 24.086 11.258 1.00 24.22 H new ATOM 27 N HIS A 3 -38.867 23.935 14.576 1.00 4.54 N ATOM 28 CA HIS A 3 -38.002 23.807 15.770 1.00 43.22 C ATOM 29 C HIS A 3 -37.453 22.366 15.943 1.00 1.35 C ATOM 30 O HIS A 3 -38.211 21.387 15.941 1.00 62.03 O ATOM 31 CB HIS A 3 -38.776 24.271 17.041 1.00 52.31 C ATOM 32 CG HIS A 3 -40.114 23.595 17.246 1.00 44.40 C ATOM 33 ND1 HIS A 3 -41.172 23.857 16.409 1.00 52.54 N ATOM 34 CD2 HIS A 3 -40.509 22.681 18.172 1.00 44.13 C ATOM 35 CE1 HIS A 3 -42.168 23.108 16.831 1.00 14.51 C ATOM 36 NE2 HIS A 3 -41.817 22.379 17.895 1.00 32.11 N ATOM 0 H HIS A 3 -39.834 24.169 14.801 1.00 4.54 H new ATOM 0 HA HIS A 3 -37.137 24.455 15.627 1.00 43.22 H new ATOM 0 HB2 HIS A 3 -38.153 24.088 17.917 1.00 52.31 H new ATOM 0 HB3 HIS A 3 -38.933 25.348 16.982 1.00 52.31 H new ATOM 0 HD2 HIS A 3 -39.908 22.272 18.971 1.00 44.13 H new ATOM 0 HE1 HIS A 3 -43.147 23.085 16.375 1.00 14.51 H new ATOM 0 HE2 HIS A 3 -42.410 21.723 18.404 1.00 32.11 H new ATOM 44 N HIS A 4 -36.122 22.255 16.082 1.00 62.03 N ATOM 45 CA HIS A 4 -35.433 20.959 16.268 1.00 10.31 C ATOM 46 C HIS A 4 -34.235 21.126 17.239 1.00 14.01 C ATOM 47 O HIS A 4 -33.639 22.208 17.331 1.00 71.34 O ATOM 48 CB HIS A 4 -34.978 20.389 14.895 1.00 64.25 C ATOM 49 CG HIS A 4 -34.579 18.930 14.935 1.00 21.23 C ATOM 50 ND1 HIS A 4 -33.303 18.541 15.263 1.00 74.21 N ATOM 51 CD2 HIS A 4 -35.327 17.817 14.700 1.00 3.41 C ATOM 52 CE1 HIS A 4 -33.301 17.221 15.221 1.00 73.34 C ATOM 53 NE2 HIS A 4 -34.503 16.741 14.885 1.00 31.34 N ATOM 0 H HIS A 4 -35.491 23.056 16.069 1.00 62.03 H new ATOM 0 HA HIS A 4 -36.127 20.245 16.711 1.00 10.31 H new ATOM 0 HB2 HIS A 4 -35.787 20.514 14.175 1.00 64.25 H new ATOM 0 HB3 HIS A 4 -34.134 20.976 14.531 1.00 64.25 H new ATOM 0 HD2 HIS A 4 -36.370 17.789 14.421 1.00 3.41 H new ATOM 0 HE1 HIS A 4 -32.438 16.607 15.431 1.00 73.34 H new ATOM 0 HE2 HIS A 4 -34.757 15.758 14.785 1.00 31.34 H new ATOM 61 N HIS A 5 -33.881 20.040 17.945 1.00 13.11 N ATOM 62 CA HIS A 5 -32.922 20.077 19.081 1.00 31.31 C ATOM 63 C HIS A 5 -31.445 19.895 18.642 1.00 61.23 C ATOM 64 O HIS A 5 -30.538 19.934 19.483 1.00 54.03 O ATOM 65 CB HIS A 5 -33.329 18.998 20.116 1.00 14.22 C ATOM 66 CG HIS A 5 -34.740 19.182 20.628 1.00 75.53 C ATOM 67 ND1 HIS A 5 -35.016 20.017 21.685 1.00 22.10 N ATOM 68 CD2 HIS A 5 -35.909 18.662 20.166 1.00 34.22 C ATOM 69 CE1 HIS A 5 -36.327 19.997 21.836 1.00 20.23 C ATOM 70 NE2 HIS A 5 -36.906 19.190 20.940 1.00 44.13 N ATOM 0 H HIS A 5 -34.247 19.108 17.751 1.00 13.11 H new ATOM 0 HA HIS A 5 -32.975 21.069 19.529 1.00 31.31 H new ATOM 0 HB2 HIS A 5 -33.238 18.012 19.661 1.00 14.22 H new ATOM 0 HB3 HIS A 5 -32.635 19.027 20.956 1.00 14.22 H new ATOM 0 HD2 HIS A 5 -36.027 17.967 19.347 1.00 34.22 H new ATOM 0 HE1 HIS A 5 -36.863 20.560 22.586 1.00 20.23 H new ATOM 0 HE2 HIS A 5 -37.905 19.003 20.850 1.00 44.13 H new ATOM 78 N HIS A 6 -31.220 19.687 17.331 1.00 64.23 N ATOM 79 CA HIS A 6 -29.866 19.588 16.739 1.00 61.32 C ATOM 80 C HIS A 6 -29.367 20.975 16.247 1.00 32.24 C ATOM 81 O HIS A 6 -30.124 21.733 15.636 1.00 71.04 O ATOM 82 CB HIS A 6 -29.867 18.561 15.572 1.00 64.32 C ATOM 83 CG HIS A 6 -28.571 18.492 14.803 1.00 24.20 C ATOM 84 ND1 HIS A 6 -27.374 18.281 15.444 1.00 14.44 N ATOM 85 CD2 HIS A 6 -28.337 18.654 13.477 1.00 5.12 C ATOM 86 CE1 HIS A 6 -26.452 18.325 14.506 1.00 11.35 C ATOM 87 NE2 HIS A 6 -26.986 18.549 13.302 1.00 65.23 N ATOM 0 H HIS A 6 -31.971 19.582 16.649 1.00 64.23 H new ATOM 0 HA HIS A 6 -29.179 19.242 17.511 1.00 61.32 H new ATOM 0 HB2 HIS A 6 -30.090 17.573 15.974 1.00 64.32 H new ATOM 0 HB3 HIS A 6 -30.672 18.814 14.882 1.00 64.32 H new ATOM 0 HD1 HIS A 6 -27.230 18.123 16.441 1.00 14.44 H new ATOM 0 HD2 HIS A 6 -29.075 18.831 12.709 1.00 5.12 H new ATOM 0 HE1 HIS A 6 -25.395 18.196 14.687 1.00 11.35 H new ATOM 95 N HIS A 7 -28.075 21.282 16.508 1.00 32.30 N ATOM 96 CA HIS A 7 -27.428 22.558 16.100 1.00 32.14 C ATOM 97 C HIS A 7 -26.144 22.275 15.273 1.00 11.23 C ATOM 98 O HIS A 7 -25.177 21.716 15.806 1.00 44.24 O ATOM 99 CB HIS A 7 -27.078 23.404 17.358 1.00 3.50 C ATOM 100 CG HIS A 7 -28.264 23.736 18.238 1.00 34.33 C ATOM 101 ND1 HIS A 7 -28.531 23.023 19.388 1.00 0.04 N ATOM 102 CD2 HIS A 7 -29.209 24.701 18.097 1.00 32.03 C ATOM 103 CE1 HIS A 7 -29.616 23.564 19.910 1.00 23.54 C ATOM 104 NE2 HIS A 7 -30.059 24.581 19.164 1.00 64.21 N ATOM 0 H HIS A 7 -27.448 20.652 17.008 1.00 32.30 H new ATOM 0 HA HIS A 7 -28.125 23.119 15.478 1.00 32.14 H new ATOM 0 HB2 HIS A 7 -26.341 22.863 17.951 1.00 3.50 H new ATOM 0 HB3 HIS A 7 -26.608 24.333 17.037 1.00 3.50 H new ATOM 0 HD2 HIS A 7 -29.277 25.424 17.297 1.00 32.03 H new ATOM 0 HE1 HIS A 7 -30.086 23.228 20.823 1.00 23.54 H new ATOM 0 HE2 HIS A 7 -30.877 25.160 19.354 1.00 64.21 H new ATOM 112 N HIS A 8 -26.150 22.654 13.974 1.00 54.10 N ATOM 113 CA HIS A 8 -24.989 22.458 13.059 1.00 73.54 C ATOM 114 C HIS A 8 -25.178 23.239 11.734 1.00 4.44 C ATOM 115 O HIS A 8 -26.303 23.372 11.235 1.00 51.42 O ATOM 116 CB HIS A 8 -24.782 20.945 12.762 1.00 41.32 C ATOM 117 CG HIS A 8 -23.661 20.615 11.804 1.00 4.24 C ATOM 118 ND1 HIS A 8 -22.428 21.216 11.906 1.00 62.34 N ATOM 119 CD2 HIS A 8 -23.637 19.742 10.762 1.00 64.31 C ATOM 120 CE1 HIS A 8 -21.695 20.705 10.938 1.00 11.34 C ATOM 121 NE2 HIS A 8 -22.380 19.806 10.218 1.00 21.41 N ATOM 0 H HIS A 8 -26.951 23.101 13.528 1.00 54.10 H new ATOM 0 HA HIS A 8 -24.102 22.848 13.559 1.00 73.54 H new ATOM 0 HB2 HIS A 8 -24.594 20.431 13.704 1.00 41.32 H new ATOM 0 HB3 HIS A 8 -25.711 20.542 12.359 1.00 41.32 H new ATOM 0 HD2 HIS A 8 -24.452 19.118 10.427 1.00 64.31 H new ATOM 0 HE1 HIS A 8 -20.667 20.977 10.748 1.00 11.34 H new ATOM 0 HE2 HIS A 8 -22.034 19.273 9.420 1.00 21.41 H new ATOM 129 N SER A 9 -24.057 23.744 11.173 1.00 12.51 N ATOM 130 CA SER A 9 -24.026 24.418 9.851 1.00 20.50 C ATOM 131 C SER A 9 -22.635 24.270 9.189 1.00 71.42 C ATOM 132 O SER A 9 -22.540 23.905 8.012 1.00 50.34 O ATOM 133 CB SER A 9 -24.380 25.928 9.964 1.00 55.34 C ATOM 134 OG SER A 9 -25.696 26.145 10.453 1.00 55.20 O ATOM 0 H SER A 9 -23.143 23.697 11.624 1.00 12.51 H new ATOM 0 HA SER A 9 -24.779 23.930 9.231 1.00 20.50 H new ATOM 0 HB2 SER A 9 -23.665 26.417 10.626 1.00 55.34 H new ATOM 0 HB3 SER A 9 -24.278 26.396 8.985 1.00 55.34 H new ATOM 0 HG SER A 9 -26.125 25.282 10.633 1.00 55.20 H new ATOM 140 N HIS A 10 -21.564 24.585 9.969 1.00 50.32 N ATOM 141 CA HIS A 10 -20.146 24.613 9.482 1.00 73.32 C ATOM 142 C HIS A 10 -19.949 25.704 8.372 1.00 51.04 C ATOM 143 O HIS A 10 -18.995 25.658 7.587 1.00 3.33 O ATOM 144 CB HIS A 10 -19.710 23.180 9.010 1.00 14.14 C ATOM 145 CG HIS A 10 -18.237 23.001 8.693 1.00 62.53 C ATOM 146 ND1 HIS A 10 -17.718 23.150 7.425 1.00 33.13 N ATOM 147 CD2 HIS A 10 -17.180 22.675 9.481 1.00 21.44 C ATOM 148 CE1 HIS A 10 -16.425 22.930 7.447 1.00 54.42 C ATOM 149 NE2 HIS A 10 -16.068 22.634 8.677 1.00 33.31 N ATOM 0 H HIS A 10 -21.655 24.828 10.956 1.00 50.32 H new ATOM 0 HA HIS A 10 -19.492 24.897 10.306 1.00 73.32 H new ATOM 0 HB2 HIS A 10 -19.983 22.465 9.786 1.00 14.14 H new ATOM 0 HB3 HIS A 10 -20.286 22.921 8.122 1.00 14.14 H new ATOM 0 HD2 HIS A 10 -17.209 22.483 10.543 1.00 21.44 H new ATOM 0 HE1 HIS A 10 -15.763 22.983 6.595 1.00 54.42 H new ATOM 0 HE2 HIS A 10 -15.121 22.411 8.983 1.00 33.31 H new ATOM 158 N MET A 11 -20.834 26.724 8.363 1.00 10.32 N ATOM 159 CA MET A 11 -20.839 27.779 7.324 1.00 23.01 C ATOM 160 C MET A 11 -19.654 28.767 7.532 1.00 63.55 C ATOM 161 O MET A 11 -19.509 29.366 8.607 1.00 52.23 O ATOM 162 CB MET A 11 -22.212 28.520 7.331 1.00 64.41 C ATOM 163 CG MET A 11 -22.451 29.484 6.146 1.00 40.51 C ATOM 164 SD MET A 11 -21.345 30.923 6.145 1.00 22.13 S ATOM 165 CE MET A 11 -21.845 31.794 4.656 1.00 21.31 C ATOM 0 H MET A 11 -21.560 26.840 9.070 1.00 10.32 H new ATOM 0 HA MET A 11 -20.705 27.317 6.346 1.00 23.01 H new ATOM 0 HB2 MET A 11 -23.008 27.775 7.338 1.00 64.41 H new ATOM 0 HB3 MET A 11 -22.296 29.085 8.260 1.00 64.41 H new ATOM 0 HG2 MET A 11 -22.323 28.937 5.212 1.00 40.51 H new ATOM 0 HG3 MET A 11 -23.484 29.830 6.173 1.00 40.51 H new ATOM 0 HE1 MET A 11 -21.242 32.695 4.542 1.00 21.31 H new ATOM 0 HE2 MET A 11 -21.700 31.148 3.790 1.00 21.31 H new ATOM 0 HE3 MET A 11 -22.897 32.069 4.731 1.00 21.31 H new ATOM 175 N GLY A 12 -18.814 28.916 6.488 1.00 54.13 N ATOM 176 CA GLY A 12 -17.653 29.818 6.513 1.00 43.03 C ATOM 177 C GLY A 12 -17.069 30.041 5.112 1.00 43.43 C ATOM 178 O GLY A 12 -16.471 29.125 4.537 1.00 61.14 O ATOM 0 H GLY A 12 -18.924 28.414 5.607 1.00 54.13 H new ATOM 0 HA2 GLY A 12 -17.948 30.777 6.940 1.00 43.03 H new ATOM 0 HA3 GLY A 12 -16.884 29.402 7.164 1.00 43.03 H new ATOM 182 N GLY A 13 -17.254 31.256 4.560 1.00 23.30 N ATOM 183 CA GLY A 13 -16.773 31.598 3.209 1.00 15.01 C ATOM 184 C GLY A 13 -16.193 33.013 3.127 1.00 34.43 C ATOM 185 O GLY A 13 -16.790 33.905 2.510 1.00 54.41 O ATOM 0 H GLY A 13 -17.736 32.020 5.033 1.00 23.30 H new ATOM 0 HA2 GLY A 13 -16.011 30.880 2.907 1.00 15.01 H new ATOM 0 HA3 GLY A 13 -17.596 31.506 2.501 1.00 15.01 H new ATOM 189 N GLY A 14 -15.020 33.212 3.759 1.00 22.31 N ATOM 190 CA GLY A 14 -14.314 34.511 3.753 1.00 43.53 C ATOM 191 C GLY A 14 -12.973 34.469 3.002 1.00 61.13 C ATOM 192 O GLY A 14 -12.777 33.622 2.121 1.00 11.10 O ATOM 0 H GLY A 14 -14.537 32.484 4.285 1.00 22.31 H new ATOM 0 HA2 GLY A 14 -14.956 35.264 3.295 1.00 43.53 H new ATOM 0 HA3 GLY A 14 -14.137 34.826 4.781 1.00 43.53 H new ATOM 196 N LYS A 15 -12.055 35.397 3.343 1.00 71.13 N ATOM 197 CA LYS A 15 -10.698 35.453 2.747 1.00 42.43 C ATOM 198 C LYS A 15 -9.758 34.410 3.416 1.00 10.04 C ATOM 199 O LYS A 15 -9.546 34.453 4.633 1.00 62.20 O ATOM 200 CB LYS A 15 -10.113 36.889 2.891 1.00 20.23 C ATOM 201 CG LYS A 15 -8.696 37.090 2.292 1.00 54.33 C ATOM 202 CD LYS A 15 -8.642 36.859 0.764 1.00 72.43 C ATOM 203 CE LYS A 15 -7.233 37.062 0.182 1.00 35.13 C ATOM 204 NZ LYS A 15 -6.719 38.442 0.402 1.00 51.04 N ATOM 0 H LYS A 15 -12.229 36.126 4.035 1.00 71.13 H new ATOM 0 HA LYS A 15 -10.773 35.208 1.688 1.00 42.43 H new ATOM 0 HB2 LYS A 15 -10.795 37.591 2.412 1.00 20.23 H new ATOM 0 HB3 LYS A 15 -10.082 37.147 3.950 1.00 20.23 H new ATOM 0 HG2 LYS A 15 -8.356 38.102 2.512 1.00 54.33 H new ATOM 0 HG3 LYS A 15 -8.002 36.407 2.781 1.00 54.33 H new ATOM 0 HD2 LYS A 15 -8.980 35.847 0.542 1.00 72.43 H new ATOM 0 HD3 LYS A 15 -9.335 37.542 0.273 1.00 72.43 H new ATOM 0 HE2 LYS A 15 -6.549 36.346 0.637 1.00 35.13 H new ATOM 0 HE3 LYS A 15 -7.251 36.850 -0.887 1.00 35.13 H new ATOM 0 HZ1 LYS A 15 -5.830 38.569 -0.123 1.00 51.04 H new ATOM 0 HZ2 LYS A 15 -7.421 39.132 0.066 1.00 51.04 H new ATOM 0 HZ3 LYS A 15 -6.546 38.591 1.417 1.00 51.04 H new ATOM 218 N GLY A 16 -9.211 33.478 2.609 1.00 24.24 N ATOM 219 CA GLY A 16 -8.277 32.447 3.101 1.00 15.03 C ATOM 220 C GLY A 16 -6.842 32.962 3.323 1.00 3.24 C ATOM 221 O GLY A 16 -6.503 34.063 2.866 1.00 41.21 O ATOM 0 H GLY A 16 -9.402 33.419 1.609 1.00 24.24 H new ATOM 0 HA2 GLY A 16 -8.657 32.044 4.039 1.00 15.03 H new ATOM 0 HA3 GLY A 16 -8.251 31.623 2.387 1.00 15.03 H new ATOM 225 N PRO A 17 -5.961 32.177 4.020 1.00 14.31 N ATOM 226 CA PRO A 17 -4.565 32.588 4.327 1.00 4.32 C ATOM 227 C PRO A 17 -3.566 32.295 3.173 1.00 1.12 C ATOM 228 O PRO A 17 -3.941 31.766 2.115 1.00 14.43 O ATOM 229 CB PRO A 17 -4.253 31.734 5.581 1.00 24.34 C ATOM 230 CG PRO A 17 -4.992 30.448 5.346 1.00 22.41 C ATOM 231 CD PRO A 17 -6.250 30.816 4.561 1.00 53.02 C ATOM 0 HA PRO A 17 -4.465 33.663 4.474 1.00 4.32 H new ATOM 0 HB2 PRO A 17 -3.182 31.563 5.690 1.00 24.34 H new ATOM 0 HB3 PRO A 17 -4.592 32.227 6.492 1.00 24.34 H new ATOM 0 HG2 PRO A 17 -4.377 29.742 4.787 1.00 22.41 H new ATOM 0 HG3 PRO A 17 -5.249 29.969 6.291 1.00 22.41 H new ATOM 0 HD2 PRO A 17 -6.442 30.102 3.760 1.00 53.02 H new ATOM 0 HD3 PRO A 17 -7.132 30.821 5.202 1.00 53.02 H new ATOM 239 N ALA A 18 -2.294 32.669 3.391 1.00 45.13 N ATOM 240 CA ALA A 18 -1.182 32.357 2.466 1.00 63.04 C ATOM 241 C ALA A 18 -0.573 30.971 2.796 1.00 75.02 C ATOM 242 O ALA A 18 -0.378 30.638 3.972 1.00 25.31 O ATOM 243 CB ALA A 18 -0.113 33.459 2.544 1.00 61.11 C ATOM 0 H ALA A 18 -2.003 33.197 4.214 1.00 45.13 H new ATOM 0 HA ALA A 18 -1.568 32.319 1.447 1.00 63.04 H new ATOM 0 HB1 ALA A 18 0.703 33.223 1.861 1.00 61.11 H new ATOM 0 HB2 ALA A 18 -0.555 34.415 2.265 1.00 61.11 H new ATOM 0 HB3 ALA A 18 0.272 33.521 3.562 1.00 61.11 H new ATOM 249 N ALA A 19 -0.276 30.170 1.756 1.00 15.51 N ATOM 250 CA ALA A 19 0.246 28.797 1.926 1.00 53.24 C ATOM 251 C ALA A 19 1.733 28.787 2.358 1.00 25.03 C ATOM 252 O ALA A 19 2.622 29.172 1.590 1.00 72.44 O ATOM 253 CB ALA A 19 0.053 27.988 0.633 1.00 45.33 C ATOM 0 H ALA A 19 -0.389 30.451 0.782 1.00 15.51 H new ATOM 0 HA ALA A 19 -0.324 28.328 2.728 1.00 53.24 H new ATOM 0 HB1 ALA A 19 0.442 26.979 0.773 1.00 45.33 H new ATOM 0 HB2 ALA A 19 -1.009 27.937 0.391 1.00 45.33 H new ATOM 0 HB3 ALA A 19 0.589 28.473 -0.183 1.00 45.33 H new ATOM 259 N GLU A 20 1.973 28.378 3.616 1.00 23.15 N ATOM 260 CA GLU A 20 3.331 28.115 4.155 1.00 20.13 C ATOM 261 C GLU A 20 3.899 26.766 3.611 1.00 3.24 C ATOM 262 O GLU A 20 3.329 26.173 2.685 1.00 74.11 O ATOM 263 CB GLU A 20 3.261 28.112 5.714 1.00 73.05 C ATOM 264 CG GLU A 20 2.240 27.114 6.315 1.00 51.52 C ATOM 265 CD GLU A 20 2.087 27.232 7.840 1.00 72.54 C ATOM 266 OE1 GLU A 20 1.592 28.275 8.317 1.00 12.35 O ATOM 267 OE2 GLU A 20 2.435 26.278 8.571 1.00 25.54 O ATOM 0 H GLU A 20 1.230 28.218 4.296 1.00 23.15 H new ATOM 0 HA GLU A 20 4.011 28.901 3.827 1.00 20.13 H new ATOM 0 HB2 GLU A 20 4.250 27.880 6.108 1.00 73.05 H new ATOM 0 HB3 GLU A 20 3.010 29.117 6.055 1.00 73.05 H new ATOM 0 HG2 GLU A 20 1.269 27.275 5.847 1.00 51.52 H new ATOM 0 HG3 GLU A 20 2.548 26.098 6.067 1.00 51.52 H new ATOM 274 N GLU A 21 5.041 26.302 4.170 1.00 41.24 N ATOM 275 CA GLU A 21 5.609 24.973 3.830 1.00 43.43 C ATOM 276 C GLU A 21 4.599 23.838 4.200 1.00 64.13 C ATOM 277 O GLU A 21 4.116 23.792 5.340 1.00 50.33 O ATOM 278 CB GLU A 21 6.985 24.761 4.531 1.00 32.14 C ATOM 279 CG GLU A 21 6.969 24.912 6.065 1.00 41.21 C ATOM 280 CD GLU A 21 8.320 24.581 6.719 1.00 4.24 C ATOM 281 OE1 GLU A 21 8.545 23.402 7.069 1.00 22.34 O ATOM 282 OE2 GLU A 21 9.163 25.492 6.876 1.00 72.00 O ATOM 0 H GLU A 21 5.586 26.824 4.856 1.00 41.24 H new ATOM 0 HA GLU A 21 5.780 24.934 2.754 1.00 43.43 H new ATOM 0 HB2 GLU A 21 7.351 23.765 4.284 1.00 32.14 H new ATOM 0 HB3 GLU A 21 7.699 25.474 4.119 1.00 32.14 H new ATOM 0 HG2 GLU A 21 6.690 25.934 6.320 1.00 41.21 H new ATOM 0 HG3 GLU A 21 6.202 24.259 6.480 1.00 41.21 H new ATOM 289 N PRO A 22 4.233 22.930 3.228 1.00 53.21 N ATOM 290 CA PRO A 22 3.155 21.924 3.424 1.00 72.24 C ATOM 291 C PRO A 22 3.539 20.780 4.409 1.00 23.23 C ATOM 292 O PRO A 22 3.953 19.693 3.987 1.00 11.03 O ATOM 293 CB PRO A 22 2.878 21.390 1.976 1.00 25.53 C ATOM 294 CG PRO A 22 3.622 22.329 1.057 1.00 10.02 C ATOM 295 CD PRO A 22 4.807 22.816 1.859 1.00 34.33 C ATOM 0 HA PRO A 22 2.275 22.365 3.892 1.00 72.24 H new ATOM 0 HB2 PRO A 22 3.230 20.365 1.860 1.00 25.53 H new ATOM 0 HB3 PRO A 22 1.811 21.387 1.755 1.00 25.53 H new ATOM 0 HG2 PRO A 22 3.944 21.818 0.150 1.00 10.02 H new ATOM 0 HG3 PRO A 22 2.989 23.160 0.747 1.00 10.02 H new ATOM 0 HD2 PRO A 22 5.639 22.113 1.824 1.00 34.33 H new ATOM 0 HD3 PRO A 22 5.181 23.772 1.493 1.00 34.33 H new ATOM 303 N LEU A 23 3.416 21.073 5.728 1.00 64.42 N ATOM 304 CA LEU A 23 3.636 20.111 6.841 1.00 3.24 C ATOM 305 C LEU A 23 5.044 19.445 6.810 1.00 3.21 C ATOM 306 O LEU A 23 5.994 19.938 7.429 1.00 50.11 O ATOM 307 CB LEU A 23 2.495 19.048 6.876 1.00 13.32 C ATOM 308 CG LEU A 23 1.046 19.609 7.054 1.00 23.04 C ATOM 309 CD1 LEU A 23 -0.016 18.499 6.901 1.00 65.01 C ATOM 310 CD2 LEU A 23 0.896 20.336 8.411 1.00 23.22 C ATOM 0 H LEU A 23 3.156 22.003 6.056 1.00 64.42 H new ATOM 0 HA LEU A 23 3.606 20.685 7.767 1.00 3.24 H new ATOM 0 HB2 LEU A 23 2.531 18.474 5.950 1.00 13.32 H new ATOM 0 HB3 LEU A 23 2.697 18.352 7.690 1.00 13.32 H new ATOM 0 HG LEU A 23 0.877 20.336 6.259 1.00 23.04 H new ATOM 0 HD11 LEU A 23 -1.010 18.926 7.031 1.00 65.01 H new ATOM 0 HD12 LEU A 23 0.061 18.056 5.908 1.00 65.01 H new ATOM 0 HD13 LEU A 23 0.150 17.730 7.656 1.00 65.01 H new ATOM 0 HD21 LEU A 23 -0.121 20.716 8.510 1.00 23.22 H new ATOM 0 HD22 LEU A 23 1.103 19.638 9.222 1.00 23.22 H new ATOM 0 HD23 LEU A 23 1.600 21.166 8.459 1.00 23.22 H new ATOM 322 N SER A 24 5.169 18.325 6.068 1.00 14.10 N ATOM 323 CA SER A 24 6.424 17.546 5.971 1.00 24.03 C ATOM 324 C SER A 24 7.194 17.892 4.678 1.00 71.45 C ATOM 325 O SER A 24 6.989 17.275 3.624 1.00 20.43 O ATOM 326 CB SER A 24 6.113 16.028 6.036 1.00 54.14 C ATOM 327 OG SER A 24 5.470 15.685 7.258 1.00 74.31 O ATOM 0 H SER A 24 4.404 17.934 5.519 1.00 14.10 H new ATOM 0 HA SER A 24 7.060 17.810 6.816 1.00 24.03 H new ATOM 0 HB2 SER A 24 5.476 15.749 5.196 1.00 54.14 H new ATOM 0 HB3 SER A 24 7.038 15.460 5.937 1.00 54.14 H new ATOM 0 HG SER A 24 5.284 14.723 7.271 1.00 74.31 H new ATOM 333 N LEU A 25 8.068 18.913 4.769 1.00 64.44 N ATOM 334 CA LEU A 25 8.986 19.316 3.666 1.00 21.23 C ATOM 335 C LEU A 25 10.111 18.243 3.491 1.00 23.10 C ATOM 336 O LEU A 25 10.774 18.180 2.453 1.00 31.11 O ATOM 337 CB LEU A 25 9.573 20.746 3.974 1.00 62.03 C ATOM 338 CG LEU A 25 9.725 21.755 2.776 1.00 4.54 C ATOM 339 CD1 LEU A 25 10.189 23.144 3.276 1.00 43.21 C ATOM 340 CD2 LEU A 25 10.682 21.235 1.679 1.00 15.42 C ATOM 0 H LEU A 25 8.164 19.487 5.607 1.00 64.44 H new ATOM 0 HA LEU A 25 8.442 19.372 2.723 1.00 21.23 H new ATOM 0 HB2 LEU A 25 8.937 21.213 4.726 1.00 62.03 H new ATOM 0 HB3 LEU A 25 10.556 20.613 4.426 1.00 62.03 H new ATOM 0 HG LEU A 25 8.737 21.851 2.326 1.00 4.54 H new ATOM 0 HD11 LEU A 25 10.286 23.822 2.428 1.00 43.21 H new ATOM 0 HD12 LEU A 25 9.455 23.542 3.977 1.00 43.21 H new ATOM 0 HD13 LEU A 25 11.153 23.047 3.776 1.00 43.21 H new ATOM 0 HD21 LEU A 25 10.750 21.970 0.877 1.00 15.42 H new ATOM 0 HD22 LEU A 25 11.671 21.072 2.107 1.00 15.42 H new ATOM 0 HD23 LEU A 25 10.301 20.296 1.279 1.00 15.42 H new ATOM 352 N LEU A 26 10.326 17.431 4.551 1.00 2.53 N ATOM 353 CA LEU A 26 11.220 16.242 4.525 1.00 23.33 C ATOM 354 C LEU A 26 10.685 15.174 3.535 1.00 1.41 C ATOM 355 O LEU A 26 11.472 14.514 2.846 1.00 64.34 O ATOM 356 CB LEU A 26 11.341 15.674 5.980 1.00 12.31 C ATOM 357 CG LEU A 26 12.425 14.561 6.279 1.00 10.33 C ATOM 358 CD1 LEU A 26 12.754 14.509 7.793 1.00 14.24 C ATOM 359 CD2 LEU A 26 11.990 13.151 5.803 1.00 10.55 C ATOM 0 H LEU A 26 9.882 17.580 5.457 1.00 2.53 H new ATOM 0 HA LEU A 26 12.211 16.529 4.173 1.00 23.33 H new ATOM 0 HB2 LEU A 26 11.539 16.514 6.646 1.00 12.31 H new ATOM 0 HB3 LEU A 26 10.368 15.269 6.258 1.00 12.31 H new ATOM 0 HG LEU A 26 13.313 14.843 5.713 1.00 10.33 H new ATOM 0 HD11 LEU A 26 13.501 13.737 7.977 1.00 14.24 H new ATOM 0 HD12 LEU A 26 13.144 15.475 8.114 1.00 14.24 H new ATOM 0 HD13 LEU A 26 11.849 14.278 8.354 1.00 14.24 H new ATOM 0 HD21 LEU A 26 12.774 12.430 6.035 1.00 10.55 H new ATOM 0 HD22 LEU A 26 11.070 12.863 6.312 1.00 10.55 H new ATOM 0 HD23 LEU A 26 11.820 13.167 4.727 1.00 10.55 H new ATOM 371 N ASP A 27 9.338 15.048 3.482 1.00 11.14 N ATOM 372 CA ASP A 27 8.615 14.027 2.689 1.00 25.53 C ATOM 373 C ASP A 27 8.918 12.586 3.176 1.00 71.23 C ATOM 374 O ASP A 27 9.482 11.768 2.437 1.00 12.45 O ATOM 375 CB ASP A 27 8.894 14.184 1.165 1.00 34.31 C ATOM 376 CG ASP A 27 8.474 15.553 0.618 1.00 75.53 C ATOM 377 OD1 ASP A 27 7.259 15.775 0.442 1.00 65.43 O ATOM 378 OD2 ASP A 27 9.352 16.402 0.360 1.00 20.34 O ATOM 0 H ASP A 27 8.712 15.665 3.999 1.00 11.14 H new ATOM 0 HA ASP A 27 7.550 14.199 2.849 1.00 25.53 H new ATOM 0 HB2 ASP A 27 9.958 14.035 0.979 1.00 34.31 H new ATOM 0 HB3 ASP A 27 8.363 13.403 0.621 1.00 34.31 H new ATOM 383 N ASP A 28 8.548 12.289 4.437 1.00 4.13 N ATOM 384 CA ASP A 28 8.676 10.925 5.016 1.00 42.00 C ATOM 385 C ASP A 28 7.787 9.912 4.256 1.00 61.41 C ATOM 386 O ASP A 28 8.136 8.734 4.126 1.00 23.33 O ATOM 387 CB ASP A 28 8.324 10.939 6.525 1.00 53.35 C ATOM 388 CG ASP A 28 8.613 9.597 7.227 1.00 45.21 C ATOM 389 OD1 ASP A 28 9.804 9.248 7.377 1.00 54.34 O ATOM 390 OD2 ASP A 28 7.662 8.894 7.631 1.00 34.11 O ATOM 0 H ASP A 28 8.155 12.975 5.082 1.00 4.13 H new ATOM 0 HA ASP A 28 9.713 10.608 4.907 1.00 42.00 H new ATOM 0 HB2 ASP A 28 8.892 11.729 7.017 1.00 53.35 H new ATOM 0 HB3 ASP A 28 7.268 11.184 6.643 1.00 53.35 H new ATOM 395 N MET A 29 6.653 10.409 3.728 1.00 45.12 N ATOM 396 CA MET A 29 5.709 9.602 2.934 1.00 4.32 C ATOM 397 C MET A 29 6.360 9.108 1.618 1.00 73.21 C ATOM 398 O MET A 29 6.084 7.999 1.175 1.00 53.44 O ATOM 399 CB MET A 29 4.433 10.421 2.606 1.00 51.35 C ATOM 400 CG MET A 29 3.809 11.152 3.806 1.00 24.02 C ATOM 401 SD MET A 29 2.140 11.764 3.485 1.00 23.23 S ATOM 402 CE MET A 29 1.198 10.236 3.382 1.00 11.20 C ATOM 0 H MET A 29 6.366 11.381 3.840 1.00 45.12 H new ATOM 0 HA MET A 29 5.436 8.734 3.534 1.00 4.32 H new ATOM 0 HB2 MET A 29 4.677 11.155 1.838 1.00 51.35 H new ATOM 0 HB3 MET A 29 3.687 9.750 2.180 1.00 51.35 H new ATOM 0 HG2 MET A 29 3.782 10.475 4.660 1.00 24.02 H new ATOM 0 HG3 MET A 29 4.448 11.990 4.084 1.00 24.02 H new ATOM 0 HE1 MET A 29 0.181 10.411 3.732 1.00 11.20 H new ATOM 0 HE2 MET A 29 1.171 9.894 2.347 1.00 11.20 H new ATOM 0 HE3 MET A 29 1.670 9.475 4.004 1.00 11.20 H new ATOM 412 N ASN A 30 7.229 9.950 1.015 1.00 52.11 N ATOM 413 CA ASN A 30 7.927 9.630 -0.263 1.00 22.25 C ATOM 414 C ASN A 30 8.882 8.412 -0.102 1.00 33.32 C ATOM 415 O ASN A 30 9.065 7.641 -1.045 1.00 33.41 O ATOM 416 CB ASN A 30 8.704 10.882 -0.770 1.00 34.01 C ATOM 417 CG ASN A 30 9.112 10.841 -2.257 1.00 42.12 C ATOM 418 OD1 ASN A 30 9.309 9.790 -2.854 1.00 13.41 O ATOM 419 ND2 ASN A 30 9.260 12.000 -2.864 1.00 11.22 N ATOM 0 H ASN A 30 7.469 10.866 1.393 1.00 52.11 H new ATOM 0 HA ASN A 30 7.176 9.356 -1.004 1.00 22.25 H new ATOM 0 HB2 ASN A 30 8.088 11.765 -0.603 1.00 34.01 H new ATOM 0 HB3 ASN A 30 9.603 11.002 -0.166 1.00 34.01 H new ATOM 0 HD21 ASN A 30 9.542 12.030 -3.844 1.00 11.22 H new ATOM 0 HD22 ASN A 30 9.093 12.868 -2.354 1.00 11.22 H new ATOM 426 N HIS A 31 9.486 8.258 1.097 1.00 13.24 N ATOM 427 CA HIS A 31 10.317 7.070 1.437 1.00 70.42 C ATOM 428 C HIS A 31 9.468 5.770 1.422 1.00 25.41 C ATOM 429 O HIS A 31 9.932 4.709 0.976 1.00 2.34 O ATOM 430 CB HIS A 31 10.988 7.255 2.824 1.00 54.15 C ATOM 431 CG HIS A 31 11.925 8.438 2.908 1.00 22.21 C ATOM 432 ND1 HIS A 31 13.241 8.344 2.524 1.00 60.34 N ATOM 433 CD2 HIS A 31 11.698 9.694 3.360 1.00 40.43 C ATOM 434 CE1 HIS A 31 13.775 9.530 2.754 1.00 11.44 C ATOM 435 NE2 HIS A 31 12.878 10.379 3.261 1.00 62.33 N ATOM 0 H HIS A 31 9.416 8.941 1.851 1.00 13.24 H new ATOM 0 HA HIS A 31 11.095 6.978 0.679 1.00 70.42 H new ATOM 0 HB2 HIS A 31 10.210 7.368 3.579 1.00 54.15 H new ATOM 0 HB3 HIS A 31 11.542 6.349 3.070 1.00 54.15 H new ATOM 0 HD2 HIS A 31 10.761 10.082 3.730 1.00 40.43 H new ATOM 0 HE1 HIS A 31 14.807 9.781 2.557 1.00 11.44 H new ATOM 0 HE2 HIS A 31 13.041 11.351 3.524 1.00 62.33 H new ATOM 443 N CYS A 32 8.219 5.884 1.900 1.00 41.03 N ATOM 444 CA CYS A 32 7.242 4.777 1.909 1.00 41.14 C ATOM 445 C CYS A 32 6.725 4.450 0.482 1.00 31.54 C ATOM 446 O CYS A 32 6.638 3.280 0.097 1.00 65.25 O ATOM 447 CB CYS A 32 6.070 5.139 2.843 1.00 20.11 C ATOM 448 SG CYS A 32 6.575 5.586 4.524 1.00 13.35 S ATOM 0 H CYS A 32 7.854 6.751 2.294 1.00 41.03 H new ATOM 0 HA CYS A 32 7.741 3.881 2.279 1.00 41.14 H new ATOM 0 HB2 CYS A 32 5.517 5.971 2.408 1.00 20.11 H new ATOM 0 HB3 CYS A 32 5.385 4.293 2.894 1.00 20.11 H new ATOM 0 HG CYS A 32 7.133 6.760 4.512 1.00 13.35 H new ATOM 454 N TYR A 33 6.407 5.510 -0.293 1.00 53.35 N ATOM 455 CA TYR A 33 5.935 5.396 -1.699 1.00 21.54 C ATOM 456 C TYR A 33 7.018 4.791 -2.617 1.00 52.23 C ATOM 457 O TYR A 33 6.699 4.076 -3.577 1.00 4.14 O ATOM 458 CB TYR A 33 5.476 6.785 -2.231 1.00 21.15 C ATOM 459 CG TYR A 33 4.081 7.206 -1.744 1.00 12.10 C ATOM 460 CD1 TYR A 33 2.968 6.465 -2.121 1.00 73.21 C ATOM 461 CD2 TYR A 33 3.867 8.322 -0.930 1.00 61.13 C ATOM 462 CE1 TYR A 33 1.706 6.805 -1.711 1.00 42.41 C ATOM 463 CE2 TYR A 33 2.596 8.670 -0.511 1.00 20.25 C ATOM 464 CZ TYR A 33 1.519 7.906 -0.904 1.00 40.13 C ATOM 465 OH TYR A 33 0.255 8.235 -0.478 1.00 42.34 O ATOM 0 H TYR A 33 6.469 6.474 0.036 1.00 53.35 H new ATOM 0 HA TYR A 33 5.082 4.717 -1.709 1.00 21.54 H new ATOM 0 HB2 TYR A 33 6.201 7.539 -1.923 1.00 21.15 H new ATOM 0 HB3 TYR A 33 5.479 6.765 -3.321 1.00 21.15 H new ATOM 0 HD1 TYR A 33 3.101 5.599 -2.753 1.00 73.21 H new ATOM 0 HD2 TYR A 33 4.710 8.923 -0.623 1.00 61.13 H new ATOM 0 HE1 TYR A 33 0.859 6.211 -2.020 1.00 42.41 H new ATOM 0 HE2 TYR A 33 2.449 9.534 0.120 1.00 20.25 H new ATOM 0 HH TYR A 33 -0.354 8.254 -1.245 1.00 42.34 H new ATOM 475 N SER A 34 8.291 5.092 -2.303 1.00 24.25 N ATOM 476 CA SER A 34 9.466 4.484 -2.965 1.00 74.41 C ATOM 477 C SER A 34 9.417 2.947 -2.879 1.00 54.12 C ATOM 478 O SER A 34 9.590 2.246 -3.883 1.00 11.41 O ATOM 479 CB SER A 34 10.773 4.992 -2.308 1.00 21.31 C ATOM 480 OG SER A 34 11.922 4.370 -2.857 1.00 33.34 O ATOM 0 H SER A 34 8.538 5.767 -1.579 1.00 24.25 H new ATOM 0 HA SER A 34 9.446 4.777 -4.015 1.00 74.41 H new ATOM 0 HB2 SER A 34 10.848 6.072 -2.439 1.00 21.31 H new ATOM 0 HB3 SER A 34 10.736 4.803 -1.235 1.00 21.31 H new ATOM 0 HG SER A 34 12.725 4.719 -2.417 1.00 33.34 H new ATOM 486 N ARG A 35 9.141 2.447 -1.661 1.00 75.31 N ATOM 487 CA ARG A 35 9.088 1.005 -1.383 1.00 71.33 C ATOM 488 C ARG A 35 7.792 0.369 -1.947 1.00 14.23 C ATOM 489 O ARG A 35 7.816 -0.791 -2.354 1.00 62.05 O ATOM 490 CB ARG A 35 9.268 0.725 0.150 1.00 20.55 C ATOM 491 CG ARG A 35 10.366 -0.318 0.478 1.00 43.22 C ATOM 492 CD ARG A 35 10.066 -1.701 -0.113 1.00 3.24 C ATOM 493 NE ARG A 35 11.189 -2.629 0.059 1.00 41.25 N ATOM 494 CZ ARG A 35 11.270 -3.838 -0.452 1.00 75.44 C ATOM 495 NH1 ARG A 35 10.331 -4.314 -1.210 1.00 23.53 N ATOM 496 NH2 ARG A 35 12.313 -4.561 -0.219 1.00 23.43 N ATOM 0 H ARG A 35 8.950 3.030 -0.847 1.00 75.31 H new ATOM 0 HA ARG A 35 9.921 0.528 -1.899 1.00 71.33 H new ATOM 0 HB2 ARG A 35 9.509 1.661 0.654 1.00 20.55 H new ATOM 0 HB3 ARG A 35 8.319 0.378 0.559 1.00 20.55 H new ATOM 0 HG2 ARG A 35 11.323 0.036 0.095 1.00 43.22 H new ATOM 0 HG3 ARG A 35 10.468 -0.404 1.560 1.00 43.22 H new ATOM 0 HD2 ARG A 35 9.178 -2.114 0.365 1.00 3.24 H new ATOM 0 HD3 ARG A 35 9.839 -1.600 -1.174 1.00 3.24 H new ATOM 0 HE ARG A 35 11.975 -2.309 0.624 1.00 41.25 H new ATOM 0 HH11 ARG A 35 9.509 -3.748 -1.420 1.00 23.53 H new ATOM 0 HH12 ARG A 35 10.415 -5.255 -1.596 1.00 23.53 H new ATOM 0 HH21 ARG A 35 13.069 -4.194 0.359 1.00 23.43 H new ATOM 0 HH22 ARG A 35 12.381 -5.499 -0.613 1.00 23.43 H new ATOM 510 N LEU A 36 6.673 1.126 -1.990 1.00 55.33 N ATOM 511 CA LEU A 36 5.420 0.639 -2.627 1.00 54.53 C ATOM 512 C LEU A 36 5.616 0.382 -4.143 1.00 62.43 C ATOM 513 O LEU A 36 4.915 -0.427 -4.728 1.00 11.43 O ATOM 514 CB LEU A 36 4.237 1.616 -2.419 1.00 12.43 C ATOM 515 CG LEU A 36 3.794 1.872 -0.943 1.00 31.05 C ATOM 516 CD1 LEU A 36 2.646 2.903 -0.880 1.00 35.42 C ATOM 517 CD2 LEU A 36 3.390 0.555 -0.236 1.00 54.14 C ATOM 0 H LEU A 36 6.607 2.065 -1.598 1.00 55.33 H new ATOM 0 HA LEU A 36 5.177 -0.302 -2.134 1.00 54.53 H new ATOM 0 HB2 LEU A 36 4.503 2.574 -2.866 1.00 12.43 H new ATOM 0 HB3 LEU A 36 3.378 1.234 -2.971 1.00 12.43 H new ATOM 0 HG LEU A 36 4.651 2.284 -0.411 1.00 31.05 H new ATOM 0 HD11 LEU A 36 2.357 3.063 0.159 1.00 35.42 H new ATOM 0 HD12 LEU A 36 2.980 3.846 -1.313 1.00 35.42 H new ATOM 0 HD13 LEU A 36 1.790 2.529 -1.441 1.00 35.42 H new ATOM 0 HD21 LEU A 36 3.087 0.770 0.789 1.00 54.14 H new ATOM 0 HD22 LEU A 36 2.559 0.095 -0.771 1.00 54.14 H new ATOM 0 HD23 LEU A 36 4.239 -0.129 -0.228 1.00 54.14 H new ATOM 529 N ARG A 37 6.566 1.099 -4.776 1.00 44.23 N ATOM 530 CA ARG A 37 6.958 0.836 -6.183 1.00 63.31 C ATOM 531 C ARG A 37 7.693 -0.520 -6.325 1.00 20.23 C ATOM 532 O ARG A 37 7.576 -1.197 -7.348 1.00 50.03 O ATOM 533 CB ARG A 37 7.841 1.972 -6.730 1.00 71.11 C ATOM 534 CG ARG A 37 7.139 3.338 -6.768 1.00 10.22 C ATOM 535 CD ARG A 37 8.009 4.442 -7.391 1.00 13.21 C ATOM 536 NE ARG A 37 9.295 4.626 -6.685 1.00 40.35 N ATOM 537 CZ ARG A 37 9.950 5.760 -6.541 1.00 25.42 C ATOM 538 NH1 ARG A 37 9.473 6.889 -6.963 1.00 25.55 N ATOM 539 NH2 ARG A 37 11.101 5.756 -5.963 1.00 52.54 N ATOM 0 H ARG A 37 7.078 1.865 -4.339 1.00 44.23 H new ATOM 0 HA ARG A 37 6.040 0.789 -6.769 1.00 63.31 H new ATOM 0 HB2 ARG A 37 8.737 2.051 -6.115 1.00 71.11 H new ATOM 0 HB3 ARG A 37 8.167 1.713 -7.737 1.00 71.11 H new ATOM 0 HG2 ARG A 37 6.213 3.249 -7.336 1.00 10.22 H new ATOM 0 HG3 ARG A 37 6.865 3.628 -5.754 1.00 10.22 H new ATOM 0 HD2 ARG A 37 8.205 4.198 -8.435 1.00 13.21 H new ATOM 0 HD3 ARG A 37 7.457 5.382 -7.381 1.00 13.21 H new ATOM 0 HE ARG A 37 9.716 3.795 -6.269 1.00 40.35 H new ATOM 0 HH11 ARG A 37 8.563 6.918 -7.423 1.00 25.55 H new ATOM 0 HH12 ARG A 37 10.007 7.748 -6.835 1.00 25.55 H new ATOM 0 HH21 ARG A 37 11.497 4.880 -5.622 1.00 52.54 H new ATOM 0 HH22 ARG A 37 11.616 6.629 -5.847 1.00 52.54 H new ATOM 553 N GLU A 38 8.413 -0.911 -5.261 1.00 31.21 N ATOM 554 CA GLU A 38 9.269 -2.126 -5.242 1.00 3.31 C ATOM 555 C GLU A 38 8.435 -3.388 -4.915 1.00 43.22 C ATOM 556 O GLU A 38 8.739 -4.494 -5.369 1.00 41.54 O ATOM 557 CB GLU A 38 10.388 -1.954 -4.181 1.00 31.42 C ATOM 558 CG GLU A 38 11.301 -0.717 -4.383 1.00 0.11 C ATOM 559 CD GLU A 38 12.349 -0.539 -3.264 1.00 52.35 C ATOM 560 OE1 GLU A 38 13.247 -1.404 -3.141 1.00 25.43 O ATOM 561 OE2 GLU A 38 12.271 0.447 -2.497 1.00 11.33 O ATOM 0 H GLU A 38 8.423 -0.396 -4.381 1.00 31.21 H new ATOM 0 HA GLU A 38 9.710 -2.252 -6.231 1.00 3.31 H new ATOM 0 HB2 GLU A 38 9.926 -1.888 -3.196 1.00 31.42 H new ATOM 0 HB3 GLU A 38 11.010 -2.849 -4.183 1.00 31.42 H new ATOM 0 HG2 GLU A 38 11.814 -0.806 -5.340 1.00 0.11 H new ATOM 0 HG3 GLU A 38 10.681 0.178 -4.436 1.00 0.11 H new ATOM 568 N LEU A 39 7.390 -3.187 -4.099 1.00 71.11 N ATOM 569 CA LEU A 39 6.459 -4.255 -3.663 1.00 62.24 C ATOM 570 C LEU A 39 5.481 -4.667 -4.779 1.00 71.43 C ATOM 571 O LEU A 39 4.866 -5.733 -4.717 1.00 34.32 O ATOM 572 CB LEU A 39 5.662 -3.753 -2.444 1.00 34.13 C ATOM 573 CG LEU A 39 6.506 -3.401 -1.186 1.00 34.42 C ATOM 574 CD1 LEU A 39 5.664 -2.611 -0.180 1.00 54.35 C ATOM 575 CD2 LEU A 39 7.125 -4.658 -0.530 1.00 74.30 C ATOM 0 H LEU A 39 7.159 -2.271 -3.715 1.00 71.11 H new ATOM 0 HA LEU A 39 7.051 -5.134 -3.406 1.00 62.24 H new ATOM 0 HB2 LEU A 39 5.099 -2.868 -2.740 1.00 34.13 H new ATOM 0 HB3 LEU A 39 4.934 -4.517 -2.169 1.00 34.13 H new ATOM 0 HG LEU A 39 7.336 -2.774 -1.512 1.00 34.42 H new ATOM 0 HD11 LEU A 39 6.270 -2.373 0.694 1.00 54.35 H new ATOM 0 HD12 LEU A 39 5.316 -1.687 -0.643 1.00 54.35 H new ATOM 0 HD13 LEU A 39 4.806 -3.210 0.126 1.00 54.35 H new ATOM 0 HD21 LEU A 39 7.705 -4.364 0.344 1.00 74.30 H new ATOM 0 HD22 LEU A 39 6.330 -5.338 -0.225 1.00 74.30 H new ATOM 0 HD23 LEU A 39 7.776 -5.159 -1.246 1.00 74.30 H new ATOM 587 N VAL A 40 5.317 -3.790 -5.783 1.00 21.43 N ATOM 588 CA VAL A 40 4.408 -4.021 -6.922 1.00 54.41 C ATOM 589 C VAL A 40 5.232 -4.219 -8.226 1.00 40.44 C ATOM 590 O VAL A 40 5.678 -3.233 -8.827 1.00 22.23 O ATOM 591 CB VAL A 40 3.402 -2.816 -7.099 1.00 13.21 C ATOM 592 CG1 VAL A 40 2.273 -3.157 -8.098 1.00 11.15 C ATOM 593 CG2 VAL A 40 2.823 -2.360 -5.740 1.00 3.11 C ATOM 0 H VAL A 40 5.811 -2.899 -5.829 1.00 21.43 H new ATOM 0 HA VAL A 40 3.829 -4.922 -6.719 1.00 54.41 H new ATOM 0 HB VAL A 40 3.968 -1.983 -7.516 1.00 13.21 H new ATOM 0 HG11 VAL A 40 1.601 -2.304 -8.193 1.00 11.15 H new ATOM 0 HG12 VAL A 40 2.706 -3.388 -9.071 1.00 11.15 H new ATOM 0 HG13 VAL A 40 1.714 -4.020 -7.735 1.00 11.15 H new ATOM 0 HG21 VAL A 40 2.135 -1.530 -5.898 1.00 3.11 H new ATOM 0 HG22 VAL A 40 2.290 -3.189 -5.275 1.00 3.11 H new ATOM 0 HG23 VAL A 40 3.635 -2.039 -5.088 1.00 3.11 H new ATOM 603 N PRO A 41 5.498 -5.496 -8.660 1.00 1.12 N ATOM 604 CA PRO A 41 6.204 -5.777 -9.941 1.00 54.03 C ATOM 605 C PRO A 41 5.315 -5.542 -11.192 1.00 31.23 C ATOM 606 O PRO A 41 5.831 -5.395 -12.305 1.00 33.41 O ATOM 607 CB PRO A 41 6.601 -7.269 -9.798 1.00 43.22 C ATOM 608 CG PRO A 41 5.545 -7.853 -8.902 1.00 44.40 C ATOM 609 CD PRO A 41 5.171 -6.751 -7.928 1.00 35.25 C ATOM 0 HA PRO A 41 7.052 -5.110 -10.098 1.00 54.03 H new ATOM 0 HB2 PRO A 41 6.622 -7.769 -10.766 1.00 43.22 H new ATOM 0 HB3 PRO A 41 7.595 -7.376 -9.363 1.00 43.22 H new ATOM 0 HG2 PRO A 41 4.678 -8.176 -9.479 1.00 44.40 H new ATOM 0 HG3 PRO A 41 5.921 -8.730 -8.375 1.00 44.40 H new ATOM 0 HD2 PRO A 41 4.115 -6.795 -7.663 1.00 35.25 H new ATOM 0 HD3 PRO A 41 5.736 -6.830 -6.999 1.00 35.25 H new ATOM 617 N GLY A 42 3.980 -5.505 -10.990 1.00 34.04 N ATOM 618 CA GLY A 42 3.012 -5.273 -12.071 1.00 4.34 C ATOM 619 C GLY A 42 2.785 -3.792 -12.372 1.00 13.14 C ATOM 620 O GLY A 42 1.668 -3.276 -12.234 1.00 1.23 O ATOM 0 H GLY A 42 3.550 -5.635 -10.074 1.00 34.04 H new ATOM 0 HA2 GLY A 42 3.362 -5.771 -12.975 1.00 4.34 H new ATOM 0 HA3 GLY A 42 2.061 -5.732 -11.802 1.00 4.34 H new ATOM 624 N VAL A 43 3.867 -3.108 -12.771 1.00 1.13 N ATOM 625 CA VAL A 43 3.830 -1.705 -13.223 1.00 3.34 C ATOM 626 C VAL A 43 3.663 -1.660 -14.772 1.00 65.43 C ATOM 627 O VAL A 43 4.534 -2.168 -15.494 1.00 63.11 O ATOM 628 CB VAL A 43 5.136 -0.935 -12.787 1.00 34.40 C ATOM 629 CG1 VAL A 43 5.110 0.547 -13.238 1.00 61.01 C ATOM 630 CG2 VAL A 43 5.359 -1.043 -11.255 1.00 1.33 C ATOM 0 H VAL A 43 4.802 -3.515 -12.790 1.00 1.13 H new ATOM 0 HA VAL A 43 2.980 -1.210 -12.755 1.00 3.34 H new ATOM 0 HB VAL A 43 5.976 -1.413 -13.290 1.00 34.40 H new ATOM 0 HG11 VAL A 43 6.027 1.041 -12.918 1.00 61.01 H new ATOM 0 HG12 VAL A 43 5.032 0.595 -14.324 1.00 61.01 H new ATOM 0 HG13 VAL A 43 4.252 1.049 -12.790 1.00 61.01 H new ATOM 0 HG21 VAL A 43 6.266 -0.504 -10.980 1.00 1.33 H new ATOM 0 HG22 VAL A 43 4.507 -0.610 -10.732 1.00 1.33 H new ATOM 0 HG23 VAL A 43 5.462 -2.091 -10.975 1.00 1.33 H new ATOM 640 N PRO A 44 2.527 -1.086 -15.308 1.00 12.54 N ATOM 641 CA PRO A 44 2.273 -1.006 -16.778 1.00 73.00 C ATOM 642 C PRO A 44 3.397 -0.273 -17.569 1.00 1.52 C ATOM 643 O PRO A 44 3.754 0.864 -17.238 1.00 32.12 O ATOM 644 CB PRO A 44 0.926 -0.231 -16.865 1.00 1.22 C ATOM 645 CG PRO A 44 0.264 -0.476 -15.539 1.00 60.10 C ATOM 646 CD PRO A 44 1.393 -0.503 -14.532 1.00 71.40 C ATOM 0 HA PRO A 44 2.245 -1.996 -17.233 1.00 73.00 H new ATOM 0 HB2 PRO A 44 1.091 0.833 -17.036 1.00 1.22 H new ATOM 0 HB3 PRO A 44 0.311 -0.595 -17.689 1.00 1.22 H new ATOM 0 HG2 PRO A 44 -0.453 0.311 -15.306 1.00 60.10 H new ATOM 0 HG3 PRO A 44 -0.285 -1.418 -15.541 1.00 60.10 H new ATOM 0 HD2 PRO A 44 1.628 0.496 -14.164 1.00 71.40 H new ATOM 0 HD3 PRO A 44 1.144 -1.113 -13.663 1.00 71.40 H new ATOM 654 N ARG A 45 3.949 -0.947 -18.606 1.00 24.34 N ATOM 655 CA ARG A 45 5.002 -0.376 -19.476 1.00 21.23 C ATOM 656 C ARG A 45 4.447 0.833 -20.282 1.00 41.24 C ATOM 657 O ARG A 45 3.689 0.662 -21.239 1.00 15.35 O ATOM 658 CB ARG A 45 5.569 -1.479 -20.426 1.00 53.21 C ATOM 659 CG ARG A 45 6.618 -0.992 -21.464 1.00 22.21 C ATOM 660 CD ARG A 45 7.904 -0.415 -20.833 1.00 3.52 C ATOM 661 NE ARG A 45 8.786 0.167 -21.863 1.00 41.22 N ATOM 662 CZ ARG A 45 10.036 0.540 -21.698 1.00 32.53 C ATOM 663 NH1 ARG A 45 10.660 0.374 -20.570 1.00 23.44 N ATOM 664 NH2 ARG A 45 10.663 1.076 -22.693 1.00 54.52 N ATOM 0 H ARG A 45 3.678 -1.897 -18.861 1.00 24.34 H new ATOM 0 HA ARG A 45 5.818 -0.012 -18.852 1.00 21.23 H new ATOM 0 HB2 ARG A 45 6.022 -2.261 -19.817 1.00 53.21 H new ATOM 0 HB3 ARG A 45 4.737 -1.935 -20.963 1.00 53.21 H new ATOM 0 HG2 ARG A 45 6.886 -1.826 -22.113 1.00 22.21 H new ATOM 0 HG3 ARG A 45 6.162 -0.230 -22.096 1.00 22.21 H new ATOM 0 HD2 ARG A 45 7.642 0.348 -20.100 1.00 3.52 H new ATOM 0 HD3 ARG A 45 8.435 -1.202 -20.298 1.00 3.52 H new ATOM 0 HE ARG A 45 8.387 0.292 -22.793 1.00 41.22 H new ATOM 0 HH11 ARG A 45 10.180 -0.057 -19.780 1.00 23.44 H new ATOM 0 HH12 ARG A 45 11.630 0.674 -20.475 1.00 23.44 H new ATOM 0 HH21 ARG A 45 10.188 1.203 -23.586 1.00 54.52 H new ATOM 0 HH22 ARG A 45 11.633 1.372 -22.585 1.00 54.52 H new ATOM 678 N GLY A 46 4.818 2.052 -19.851 1.00 41.03 N ATOM 679 CA GLY A 46 4.341 3.304 -20.465 1.00 21.30 C ATOM 680 C GLY A 46 3.564 4.194 -19.488 1.00 31.30 C ATOM 681 O GLY A 46 2.627 4.901 -19.890 1.00 3.13 O ATOM 0 H GLY A 46 5.456 2.197 -19.068 1.00 41.03 H new ATOM 0 HA2 GLY A 46 5.195 3.860 -20.853 1.00 21.30 H new ATOM 0 HA3 GLY A 46 3.703 3.065 -21.316 1.00 21.30 H new ATOM 685 N THR A 47 3.959 4.171 -18.200 1.00 62.15 N ATOM 686 CA THR A 47 3.342 5.013 -17.135 1.00 33.40 C ATOM 687 C THR A 47 4.373 5.993 -16.526 1.00 1.23 C ATOM 688 O THR A 47 5.586 5.855 -16.737 1.00 14.10 O ATOM 689 CB THR A 47 2.719 4.135 -15.988 1.00 21.13 C ATOM 690 OG1 THR A 47 1.980 4.966 -15.070 1.00 4.25 O ATOM 691 CG2 THR A 47 3.787 3.348 -15.206 1.00 3.42 C ATOM 0 H THR A 47 4.712 3.573 -17.861 1.00 62.15 H new ATOM 0 HA THR A 47 2.545 5.584 -17.611 1.00 33.40 H new ATOM 0 HB THR A 47 2.054 3.416 -16.467 1.00 21.13 H new ATOM 0 HG1 THR A 47 1.595 4.409 -14.361 1.00 4.25 H new ATOM 0 HG21 THR A 47 3.306 2.758 -14.426 1.00 3.42 H new ATOM 0 HG22 THR A 47 4.320 2.684 -15.886 1.00 3.42 H new ATOM 0 HG23 THR A 47 4.492 4.044 -14.752 1.00 3.42 H new ATOM 699 N GLN A 48 3.877 6.984 -15.758 1.00 61.14 N ATOM 700 CA GLN A 48 4.731 7.965 -15.044 1.00 61.54 C ATOM 701 C GLN A 48 4.569 7.835 -13.510 1.00 34.14 C ATOM 702 O GLN A 48 5.575 7.740 -12.794 1.00 22.12 O ATOM 703 CB GLN A 48 4.433 9.413 -15.529 1.00 41.41 C ATOM 704 CG GLN A 48 4.773 9.660 -17.016 1.00 4.34 C ATOM 705 CD GLN A 48 4.692 11.133 -17.428 1.00 4.15 C ATOM 706 OE1 GLN A 48 5.672 11.867 -17.344 1.00 64.34 O ATOM 707 NE2 GLN A 48 3.535 11.577 -17.878 1.00 71.40 N ATOM 0 H GLN A 48 2.878 7.130 -15.613 1.00 61.14 H new ATOM 0 HA GLN A 48 5.772 7.744 -15.280 1.00 61.54 H new ATOM 0 HB2 GLN A 48 3.377 9.629 -15.368 1.00 41.41 H new ATOM 0 HB3 GLN A 48 4.999 10.114 -14.916 1.00 41.41 H new ATOM 0 HG2 GLN A 48 5.779 9.290 -17.216 1.00 4.34 H new ATOM 0 HG3 GLN A 48 4.091 9.080 -17.637 1.00 4.34 H new ATOM 0 HE21 GLN A 48 2.735 10.947 -17.938 1.00 71.40 H new ATOM 0 HE22 GLN A 48 3.440 12.551 -18.166 1.00 71.40 H new ATOM 716 N LEU A 49 3.294 7.810 -13.037 1.00 63.42 N ATOM 717 CA LEU A 49 2.910 7.656 -11.593 1.00 71.54 C ATOM 718 C LEU A 49 3.336 8.882 -10.724 1.00 53.20 C ATOM 719 O LEU A 49 4.461 9.385 -10.834 1.00 14.41 O ATOM 720 CB LEU A 49 3.469 6.328 -10.990 1.00 4.04 C ATOM 721 CG LEU A 49 3.058 5.009 -11.729 1.00 63.33 C ATOM 722 CD1 LEU A 49 3.883 3.802 -11.237 1.00 55.34 C ATOM 723 CD2 LEU A 49 1.539 4.734 -11.598 1.00 21.42 C ATOM 0 H LEU A 49 2.485 7.897 -13.653 1.00 63.42 H new ATOM 0 HA LEU A 49 1.821 7.610 -11.570 1.00 71.54 H new ATOM 0 HB2 LEU A 49 4.557 6.389 -10.976 1.00 4.04 H new ATOM 0 HB3 LEU A 49 3.141 6.257 -9.953 1.00 4.04 H new ATOM 0 HG LEU A 49 3.280 5.152 -12.787 1.00 63.33 H new ATOM 0 HD11 LEU A 49 3.570 2.905 -11.772 1.00 55.34 H new ATOM 0 HD12 LEU A 49 4.941 3.985 -11.423 1.00 55.34 H new ATOM 0 HD13 LEU A 49 3.721 3.662 -10.168 1.00 55.34 H new ATOM 0 HD21 LEU A 49 1.290 3.812 -12.122 1.00 21.42 H new ATOM 0 HD22 LEU A 49 1.277 4.635 -10.545 1.00 21.42 H new ATOM 0 HD23 LEU A 49 0.980 5.562 -12.035 1.00 21.42 H new ATOM 735 N SER A 50 2.424 9.358 -9.848 1.00 51.21 N ATOM 736 CA SER A 50 2.694 10.523 -8.959 1.00 53.25 C ATOM 737 C SER A 50 2.302 10.226 -7.491 1.00 63.14 C ATOM 738 O SER A 50 3.174 9.988 -6.645 1.00 74.54 O ATOM 739 CB SER A 50 1.958 11.795 -9.468 1.00 61.15 C ATOM 740 OG SER A 50 2.297 12.097 -10.814 1.00 31.51 O ATOM 0 H SER A 50 1.493 8.957 -9.733 1.00 51.21 H new ATOM 0 HA SER A 50 3.768 10.707 -8.988 1.00 53.25 H new ATOM 0 HB2 SER A 50 0.881 11.648 -9.389 1.00 61.15 H new ATOM 0 HB3 SER A 50 2.212 12.642 -8.830 1.00 61.15 H new ATOM 0 HG SER A 50 1.815 12.901 -11.100 1.00 31.51 H new ATOM 746 N GLN A 51 0.984 10.220 -7.185 1.00 53.04 N ATOM 747 CA GLN A 51 0.480 10.175 -5.780 1.00 23.15 C ATOM 748 C GLN A 51 -0.535 9.023 -5.555 1.00 64.52 C ATOM 749 O GLN A 51 -0.178 7.960 -5.027 1.00 42.24 O ATOM 750 CB GLN A 51 -0.169 11.546 -5.408 1.00 23.02 C ATOM 751 CG GLN A 51 0.777 12.764 -5.507 1.00 4.15 C ATOM 752 CD GLN A 51 0.050 14.105 -5.329 1.00 4.30 C ATOM 753 OE1 GLN A 51 -0.401 14.719 -6.291 1.00 11.12 O ATOM 754 NE2 GLN A 51 -0.078 14.567 -4.100 1.00 64.50 N ATOM 0 H GLN A 51 0.245 10.246 -7.888 1.00 53.04 H new ATOM 0 HA GLN A 51 1.333 9.982 -5.130 1.00 23.15 H new ATOM 0 HB2 GLN A 51 -1.025 11.715 -6.062 1.00 23.02 H new ATOM 0 HB3 GLN A 51 -0.553 11.485 -4.390 1.00 23.02 H new ATOM 0 HG2 GLN A 51 1.555 12.675 -4.749 1.00 4.15 H new ATOM 0 HG3 GLN A 51 1.274 12.753 -6.477 1.00 4.15 H new ATOM 0 HE21 GLN A 51 0.305 14.040 -3.315 1.00 64.50 H new ATOM 0 HE22 GLN A 51 -0.560 15.451 -3.935 1.00 64.50 H new ATOM 763 N VAL A 52 -1.794 9.238 -5.990 1.00 23.52 N ATOM 764 CA VAL A 52 -2.931 8.326 -5.684 1.00 42.24 C ATOM 765 C VAL A 52 -2.812 7.001 -6.473 1.00 41.14 C ATOM 766 O VAL A 52 -3.206 5.932 -6.005 1.00 3.24 O ATOM 767 CB VAL A 52 -4.319 8.997 -6.023 1.00 35.55 C ATOM 768 CG1 VAL A 52 -5.491 8.235 -5.357 1.00 73.44 C ATOM 769 CG2 VAL A 52 -4.341 10.492 -5.640 1.00 42.23 C ATOM 0 H VAL A 52 -2.057 10.042 -6.560 1.00 23.52 H new ATOM 0 HA VAL A 52 -2.886 8.118 -4.615 1.00 42.24 H new ATOM 0 HB VAL A 52 -4.450 8.935 -7.103 1.00 35.55 H new ATOM 0 HG11 VAL A 52 -6.432 8.722 -5.610 1.00 73.44 H new ATOM 0 HG12 VAL A 52 -5.507 7.206 -5.716 1.00 73.44 H new ATOM 0 HG13 VAL A 52 -5.360 8.239 -4.275 1.00 73.44 H new ATOM 0 HG21 VAL A 52 -5.313 10.917 -5.889 1.00 42.23 H new ATOM 0 HG22 VAL A 52 -4.163 10.596 -4.570 1.00 42.23 H new ATOM 0 HG23 VAL A 52 -3.562 11.020 -6.190 1.00 42.23 H new ATOM 779 N GLU A 53 -2.258 7.127 -7.685 1.00 0.04 N ATOM 780 CA GLU A 53 -2.042 6.026 -8.649 1.00 21.20 C ATOM 781 C GLU A 53 -1.183 4.896 -8.038 1.00 23.20 C ATOM 782 O GLU A 53 -1.349 3.730 -8.378 1.00 72.20 O ATOM 783 CB GLU A 53 -1.344 6.552 -9.946 1.00 54.53 C ATOM 784 CG GLU A 53 -1.996 7.785 -10.629 1.00 43.40 C ATOM 785 CD GLU A 53 -1.676 9.116 -9.924 1.00 4.40 C ATOM 786 OE1 GLU A 53 -0.523 9.579 -10.019 1.00 53.55 O ATOM 787 OE2 GLU A 53 -2.555 9.688 -9.236 1.00 71.14 O ATOM 0 H GLU A 53 -1.934 8.027 -8.040 1.00 0.04 H new ATOM 0 HA GLU A 53 -3.024 5.625 -8.899 1.00 21.20 H new ATOM 0 HB2 GLU A 53 -0.312 6.803 -9.701 1.00 54.53 H new ATOM 0 HB3 GLU A 53 -1.311 5.738 -10.670 1.00 54.53 H new ATOM 0 HG2 GLU A 53 -1.657 7.840 -11.663 1.00 43.40 H new ATOM 0 HG3 GLU A 53 -3.077 7.647 -10.655 1.00 43.40 H new ATOM 794 N ILE A 54 -0.257 5.283 -7.142 1.00 13.20 N ATOM 795 CA ILE A 54 0.609 4.343 -6.408 1.00 11.11 C ATOM 796 C ILE A 54 -0.213 3.482 -5.414 1.00 51.41 C ATOM 797 O ILE A 54 -0.074 2.256 -5.392 1.00 21.21 O ATOM 798 CB ILE A 54 1.751 5.117 -5.648 1.00 50.15 C ATOM 799 CG1 ILE A 54 2.625 5.938 -6.659 1.00 72.51 C ATOM 800 CG2 ILE A 54 2.628 4.155 -4.802 1.00 63.12 C ATOM 801 CD1 ILE A 54 3.737 6.759 -6.025 1.00 44.34 C ATOM 0 H ILE A 54 -0.088 6.261 -6.906 1.00 13.20 H new ATOM 0 HA ILE A 54 1.066 3.674 -7.137 1.00 11.11 H new ATOM 0 HB ILE A 54 1.279 5.815 -4.956 1.00 50.15 H new ATOM 0 HG12 ILE A 54 3.067 5.248 -7.378 1.00 72.51 H new ATOM 0 HG13 ILE A 54 1.973 6.608 -7.220 1.00 72.51 H new ATOM 0 HG21 ILE A 54 3.405 4.725 -4.292 1.00 63.12 H new ATOM 0 HG22 ILE A 54 2.005 3.649 -4.064 1.00 63.12 H new ATOM 0 HG23 ILE A 54 3.090 3.415 -5.455 1.00 63.12 H new ATOM 0 HD11 ILE A 54 4.285 7.291 -6.803 1.00 44.34 H new ATOM 0 HD12 ILE A 54 3.306 7.478 -5.328 1.00 44.34 H new ATOM 0 HD13 ILE A 54 4.417 6.097 -5.489 1.00 44.34 H new ATOM 813 N LEU A 55 -1.073 4.146 -4.617 1.00 71.33 N ATOM 814 CA LEU A 55 -1.974 3.472 -3.646 1.00 31.34 C ATOM 815 C LEU A 55 -2.908 2.457 -4.350 1.00 2.11 C ATOM 816 O LEU A 55 -3.050 1.312 -3.910 1.00 14.30 O ATOM 817 CB LEU A 55 -2.827 4.528 -2.898 1.00 64.32 C ATOM 818 CG LEU A 55 -2.052 5.589 -2.058 1.00 61.21 C ATOM 819 CD1 LEU A 55 -3.016 6.631 -1.440 1.00 43.05 C ATOM 820 CD2 LEU A 55 -1.201 4.908 -0.967 1.00 44.20 C ATOM 0 H LEU A 55 -1.167 5.162 -4.624 1.00 71.33 H new ATOM 0 HA LEU A 55 -1.352 2.927 -2.936 1.00 31.34 H new ATOM 0 HB2 LEU A 55 -3.436 5.055 -3.632 1.00 64.32 H new ATOM 0 HB3 LEU A 55 -3.512 4.002 -2.233 1.00 64.32 H new ATOM 0 HG LEU A 55 -1.379 6.121 -2.731 1.00 61.21 H new ATOM 0 HD11 LEU A 55 -2.445 7.356 -0.861 1.00 43.05 H new ATOM 0 HD12 LEU A 55 -3.555 7.145 -2.236 1.00 43.05 H new ATOM 0 HD13 LEU A 55 -3.728 6.126 -0.788 1.00 43.05 H new ATOM 0 HD21 LEU A 55 -0.669 5.667 -0.394 1.00 44.20 H new ATOM 0 HD22 LEU A 55 -1.850 4.339 -0.301 1.00 44.20 H new ATOM 0 HD23 LEU A 55 -0.481 4.236 -1.434 1.00 44.20 H new ATOM 832 N GLN A 56 -3.529 2.916 -5.449 1.00 54.42 N ATOM 833 CA GLN A 56 -4.414 2.095 -6.301 1.00 32.51 C ATOM 834 C GLN A 56 -3.656 0.895 -6.925 1.00 54.44 C ATOM 835 O GLN A 56 -4.188 -0.210 -6.981 1.00 43.23 O ATOM 836 CB GLN A 56 -5.032 2.987 -7.411 1.00 73.32 C ATOM 837 CG GLN A 56 -5.914 4.139 -6.878 1.00 2.23 C ATOM 838 CD GLN A 56 -6.422 5.082 -7.977 1.00 73.34 C ATOM 839 OE1 GLN A 56 -7.483 4.876 -8.559 1.00 45.14 O ATOM 840 NE2 GLN A 56 -5.677 6.133 -8.257 1.00 24.12 N ATOM 0 H GLN A 56 -3.432 3.877 -5.777 1.00 54.42 H new ATOM 0 HA GLN A 56 -5.209 1.685 -5.678 1.00 32.51 H new ATOM 0 HB2 GLN A 56 -4.227 3.409 -8.013 1.00 73.32 H new ATOM 0 HB3 GLN A 56 -5.631 2.362 -8.073 1.00 73.32 H new ATOM 0 HG2 GLN A 56 -6.769 3.717 -6.350 1.00 2.23 H new ATOM 0 HG3 GLN A 56 -5.343 4.716 -6.151 1.00 2.23 H new ATOM 0 HE21 GLN A 56 -4.799 6.283 -7.760 1.00 24.12 H new ATOM 0 HE22 GLN A 56 -5.979 6.796 -8.971 1.00 24.12 H new ATOM 849 N ARG A 57 -2.399 1.129 -7.352 1.00 14.32 N ATOM 850 CA ARG A 57 -1.528 0.086 -7.958 1.00 11.42 C ATOM 851 C ARG A 57 -1.161 -1.027 -6.931 1.00 52.22 C ATOM 852 O ARG A 57 -0.972 -2.193 -7.296 1.00 73.22 O ATOM 853 CB ARG A 57 -0.246 0.753 -8.522 1.00 63.33 C ATOM 854 CG ARG A 57 0.609 -0.127 -9.468 1.00 1.50 C ATOM 855 CD ARG A 57 2.014 0.457 -9.700 1.00 24.14 C ATOM 856 NE ARG A 57 2.798 0.491 -8.441 1.00 13.02 N ATOM 857 CZ ARG A 57 3.177 1.572 -7.790 1.00 42.21 C ATOM 858 NH1 ARG A 57 2.955 2.756 -8.260 1.00 54.13 N ATOM 859 NH2 ARG A 57 3.790 1.454 -6.658 1.00 44.32 N ATOM 0 H ARG A 57 -1.953 2.044 -7.289 1.00 14.32 H new ATOM 0 HA ARG A 57 -2.077 -0.394 -8.768 1.00 11.42 H new ATOM 0 HB2 ARG A 57 -0.535 1.657 -9.059 1.00 63.33 H new ATOM 0 HB3 ARG A 57 0.377 1.065 -7.684 1.00 63.33 H new ATOM 0 HG2 ARG A 57 0.699 -1.128 -9.046 1.00 1.50 H new ATOM 0 HG3 ARG A 57 0.098 -0.230 -10.425 1.00 1.50 H new ATOM 0 HD2 ARG A 57 2.541 -0.142 -10.443 1.00 24.14 H new ATOM 0 HD3 ARG A 57 1.929 1.465 -10.105 1.00 24.14 H new ATOM 0 HE ARG A 57 3.069 -0.407 -8.042 1.00 13.02 H new ATOM 0 HH11 ARG A 57 2.477 2.868 -9.154 1.00 54.13 H new ATOM 0 HH12 ARG A 57 3.258 3.577 -7.737 1.00 54.13 H new ATOM 0 HH21 ARG A 57 3.978 0.528 -6.274 1.00 44.32 H new ATOM 0 HH22 ARG A 57 4.086 2.287 -6.149 1.00 44.32 H new ATOM 873 N VAL A 58 -1.056 -0.640 -5.644 1.00 62.11 N ATOM 874 CA VAL A 58 -0.856 -1.590 -4.522 1.00 52.21 C ATOM 875 C VAL A 58 -2.127 -2.451 -4.292 1.00 71.24 C ATOM 876 O VAL A 58 -2.032 -3.658 -4.043 1.00 20.12 O ATOM 877 CB VAL A 58 -0.455 -0.823 -3.205 1.00 4.14 C ATOM 878 CG1 VAL A 58 -0.362 -1.766 -1.987 1.00 51.35 C ATOM 879 CG2 VAL A 58 0.880 -0.064 -3.400 1.00 54.44 C ATOM 0 H VAL A 58 -1.107 0.335 -5.350 1.00 62.11 H new ATOM 0 HA VAL A 58 -0.038 -2.260 -4.788 1.00 52.21 H new ATOM 0 HB VAL A 58 -1.247 -0.103 -3.001 1.00 4.14 H new ATOM 0 HG11 VAL A 58 -0.083 -1.192 -1.103 1.00 51.35 H new ATOM 0 HG12 VAL A 58 -1.328 -2.242 -1.821 1.00 51.35 H new ATOM 0 HG13 VAL A 58 0.391 -2.531 -2.176 1.00 51.35 H new ATOM 0 HG21 VAL A 58 1.139 0.459 -2.479 1.00 54.44 H new ATOM 0 HG22 VAL A 58 1.669 -0.774 -3.649 1.00 54.44 H new ATOM 0 HG23 VAL A 58 0.773 0.658 -4.210 1.00 54.44 H new ATOM 889 N ILE A 59 -3.310 -1.813 -4.392 1.00 13.23 N ATOM 890 CA ILE A 59 -4.612 -2.520 -4.340 1.00 60.42 C ATOM 891 C ILE A 59 -4.732 -3.531 -5.521 1.00 15.35 C ATOM 892 O ILE A 59 -5.225 -4.650 -5.343 1.00 75.25 O ATOM 893 CB ILE A 59 -5.811 -1.493 -4.354 1.00 21.43 C ATOM 894 CG1 ILE A 59 -5.694 -0.492 -3.155 1.00 23.24 C ATOM 895 CG2 ILE A 59 -7.184 -2.213 -4.330 1.00 72.11 C ATOM 896 CD1 ILE A 59 -6.727 0.629 -3.149 1.00 61.42 C ATOM 0 H ILE A 59 -3.394 -0.803 -4.510 1.00 13.23 H new ATOM 0 HA ILE A 59 -4.661 -3.079 -3.405 1.00 60.42 H new ATOM 0 HB ILE A 59 -5.750 -0.931 -5.286 1.00 21.43 H new ATOM 0 HG12 ILE A 59 -5.782 -1.052 -2.224 1.00 23.24 H new ATOM 0 HG13 ILE A 59 -4.698 -0.048 -3.167 1.00 23.24 H new ATOM 0 HG21 ILE A 59 -7.984 -1.472 -4.340 1.00 72.11 H new ATOM 0 HG22 ILE A 59 -7.273 -2.856 -5.206 1.00 72.11 H new ATOM 0 HG23 ILE A 59 -7.262 -2.818 -3.427 1.00 72.11 H new ATOM 0 HD11 ILE A 59 -6.564 1.269 -2.282 1.00 61.42 H new ATOM 0 HD12 ILE A 59 -6.628 1.220 -4.060 1.00 61.42 H new ATOM 0 HD13 ILE A 59 -7.728 0.201 -3.101 1.00 61.42 H new ATOM 908 N ASP A 60 -4.237 -3.124 -6.719 1.00 55.42 N ATOM 909 CA ASP A 60 -4.151 -4.009 -7.906 1.00 20.51 C ATOM 910 C ASP A 60 -3.260 -5.243 -7.636 1.00 44.50 C ATOM 911 O ASP A 60 -3.603 -6.346 -8.046 1.00 62.32 O ATOM 912 CB ASP A 60 -3.616 -3.244 -9.153 1.00 12.30 C ATOM 913 CG ASP A 60 -4.606 -2.215 -9.719 1.00 74.51 C ATOM 914 OD1 ASP A 60 -5.698 -2.621 -10.171 1.00 75.44 O ATOM 915 OD2 ASP A 60 -4.298 -1.006 -9.740 1.00 71.53 O ATOM 0 H ASP A 60 -3.889 -2.180 -6.887 1.00 55.42 H new ATOM 0 HA ASP A 60 -5.166 -4.350 -8.111 1.00 20.51 H new ATOM 0 HB2 ASP A 60 -2.690 -2.735 -8.886 1.00 12.30 H new ATOM 0 HB3 ASP A 60 -3.370 -3.965 -9.933 1.00 12.30 H new ATOM 920 N TYR A 61 -2.108 -5.033 -6.965 1.00 72.52 N ATOM 921 CA TYR A 61 -1.180 -6.127 -6.589 1.00 40.10 C ATOM 922 C TYR A 61 -1.873 -7.186 -5.690 1.00 22.30 C ATOM 923 O TYR A 61 -1.864 -8.379 -6.005 1.00 25.40 O ATOM 924 CB TYR A 61 0.077 -5.545 -5.877 1.00 0.44 C ATOM 925 CG TYR A 61 1.032 -6.604 -5.287 1.00 53.31 C ATOM 926 CD1 TYR A 61 1.869 -7.361 -6.108 1.00 1.35 C ATOM 927 CD2 TYR A 61 1.074 -6.856 -3.910 1.00 40.22 C ATOM 928 CE1 TYR A 61 2.708 -8.325 -5.585 1.00 31.25 C ATOM 929 CE2 TYR A 61 1.913 -7.820 -3.389 1.00 34.25 C ATOM 930 CZ TYR A 61 2.729 -8.549 -4.229 1.00 44.14 C ATOM 931 OH TYR A 61 3.561 -9.517 -3.711 1.00 70.41 O ATOM 0 H TYR A 61 -1.794 -4.109 -6.669 1.00 72.52 H new ATOM 0 HA TYR A 61 -0.870 -6.629 -7.505 1.00 40.10 H new ATOM 0 HB2 TYR A 61 0.630 -4.933 -6.589 1.00 0.44 H new ATOM 0 HB3 TYR A 61 -0.250 -4.883 -5.075 1.00 0.44 H new ATOM 0 HD1 TYR A 61 1.860 -7.189 -7.174 1.00 1.35 H new ATOM 0 HD2 TYR A 61 0.440 -6.287 -3.246 1.00 40.22 H new ATOM 0 HE1 TYR A 61 3.346 -8.901 -6.239 1.00 31.25 H new ATOM 0 HE2 TYR A 61 1.931 -8.003 -2.325 1.00 34.25 H new ATOM 0 HH TYR A 61 3.458 -9.550 -2.737 1.00 70.41 H new ATOM 941 N ILE A 62 -2.475 -6.720 -4.582 1.00 72.44 N ATOM 942 CA ILE A 62 -3.081 -7.603 -3.557 1.00 14.24 C ATOM 943 C ILE A 62 -4.303 -8.390 -4.123 1.00 24.42 C ATOM 944 O ILE A 62 -4.412 -9.611 -3.926 1.00 20.33 O ATOM 945 CB ILE A 62 -3.496 -6.770 -2.278 1.00 25.41 C ATOM 946 CG1 ILE A 62 -2.268 -5.972 -1.712 1.00 34.51 C ATOM 947 CG2 ILE A 62 -4.103 -7.677 -1.177 1.00 24.34 C ATOM 948 CD1 ILE A 62 -2.581 -5.039 -0.541 1.00 24.43 C ATOM 0 H ILE A 62 -2.558 -5.726 -4.368 1.00 72.44 H new ATOM 0 HA ILE A 62 -2.327 -8.334 -3.266 1.00 14.24 H new ATOM 0 HB ILE A 62 -4.264 -6.060 -2.586 1.00 25.41 H new ATOM 0 HG12 ILE A 62 -1.507 -6.685 -1.394 1.00 34.51 H new ATOM 0 HG13 ILE A 62 -1.835 -5.382 -2.520 1.00 34.51 H new ATOM 0 HG21 ILE A 62 -4.376 -7.069 -0.314 1.00 24.34 H new ATOM 0 HG22 ILE A 62 -4.991 -8.176 -1.565 1.00 24.34 H new ATOM 0 HG23 ILE A 62 -3.369 -8.425 -0.876 1.00 24.34 H new ATOM 0 HD11 ILE A 62 -1.668 -4.535 -0.223 1.00 24.43 H new ATOM 0 HD12 ILE A 62 -3.316 -4.297 -0.853 1.00 24.43 H new ATOM 0 HD13 ILE A 62 -2.983 -5.620 0.289 1.00 24.43 H new ATOM 960 N LEU A 63 -5.194 -7.688 -4.850 1.00 10.22 N ATOM 961 CA LEU A 63 -6.384 -8.310 -5.480 1.00 71.33 C ATOM 962 C LEU A 63 -6.006 -9.261 -6.645 1.00 60.24 C ATOM 963 O LEU A 63 -6.726 -10.219 -6.908 1.00 72.14 O ATOM 964 CB LEU A 63 -7.392 -7.234 -5.965 1.00 22.01 C ATOM 965 CG LEU A 63 -8.038 -6.343 -4.852 1.00 1.04 C ATOM 966 CD1 LEU A 63 -9.066 -5.362 -5.459 1.00 72.33 C ATOM 967 CD2 LEU A 63 -8.675 -7.206 -3.732 1.00 31.13 C ATOM 0 H LEU A 63 -5.115 -6.685 -5.018 1.00 10.22 H new ATOM 0 HA LEU A 63 -6.863 -8.913 -4.708 1.00 71.33 H new ATOM 0 HB2 LEU A 63 -6.882 -6.581 -6.674 1.00 22.01 H new ATOM 0 HB3 LEU A 63 -8.192 -7.735 -6.511 1.00 22.01 H new ATOM 0 HG LEU A 63 -7.243 -5.755 -4.394 1.00 1.04 H new ATOM 0 HD11 LEU A 63 -9.501 -4.754 -4.666 1.00 72.33 H new ATOM 0 HD12 LEU A 63 -8.569 -4.715 -6.181 1.00 72.33 H new ATOM 0 HD13 LEU A 63 -9.855 -5.925 -5.959 1.00 72.33 H new ATOM 0 HD21 LEU A 63 -9.114 -6.555 -2.976 1.00 31.13 H new ATOM 0 HD22 LEU A 63 -9.451 -7.841 -4.159 1.00 31.13 H new ATOM 0 HD23 LEU A 63 -7.908 -7.830 -3.273 1.00 31.13 H new ATOM 979 N ASP A 64 -4.881 -8.980 -7.336 1.00 60.42 N ATOM 980 CA ASP A 64 -4.342 -9.868 -8.407 1.00 1.42 C ATOM 981 C ASP A 64 -3.945 -11.251 -7.836 1.00 63.15 C ATOM 982 O ASP A 64 -4.139 -12.281 -8.488 1.00 32.14 O ATOM 983 CB ASP A 64 -3.120 -9.194 -9.079 1.00 50.15 C ATOM 984 CG ASP A 64 -2.503 -9.993 -10.245 1.00 43.01 C ATOM 985 OD1 ASP A 64 -2.982 -9.870 -11.391 1.00 34.04 O ATOM 986 OD2 ASP A 64 -1.522 -10.740 -10.022 1.00 43.22 O ATOM 0 H ASP A 64 -4.321 -8.143 -7.176 1.00 60.42 H new ATOM 0 HA ASP A 64 -5.122 -10.024 -9.152 1.00 1.42 H new ATOM 0 HB2 ASP A 64 -3.420 -8.213 -9.448 1.00 50.15 H new ATOM 0 HB3 ASP A 64 -2.352 -9.029 -8.323 1.00 50.15 H new ATOM 991 N LEU A 65 -3.381 -11.246 -6.615 1.00 63.32 N ATOM 992 CA LEU A 65 -2.983 -12.482 -5.908 1.00 71.34 C ATOM 993 C LEU A 65 -4.218 -13.290 -5.437 1.00 43.52 C ATOM 994 O LEU A 65 -4.241 -14.520 -5.523 1.00 2.30 O ATOM 995 CB LEU A 65 -2.081 -12.135 -4.691 1.00 34.55 C ATOM 996 CG LEU A 65 -0.792 -11.309 -4.998 1.00 15.41 C ATOM 997 CD1 LEU A 65 0.045 -11.076 -3.721 1.00 11.15 C ATOM 998 CD2 LEU A 65 0.056 -11.965 -6.113 1.00 42.22 C ATOM 0 H LEU A 65 -3.188 -10.392 -6.091 1.00 63.32 H new ATOM 0 HA LEU A 65 -2.423 -13.101 -6.609 1.00 71.34 H new ATOM 0 HB2 LEU A 65 -2.679 -11.579 -3.969 1.00 34.55 H new ATOM 0 HB3 LEU A 65 -1.784 -13.066 -4.209 1.00 34.55 H new ATOM 0 HG LEU A 65 -1.113 -10.334 -5.366 1.00 15.41 H new ATOM 0 HD11 LEU A 65 0.935 -10.498 -3.970 1.00 11.15 H new ATOM 0 HD12 LEU A 65 -0.551 -10.529 -2.990 1.00 11.15 H new ATOM 0 HD13 LEU A 65 0.342 -12.037 -3.300 1.00 11.15 H new ATOM 0 HD21 LEU A 65 0.944 -11.361 -6.298 1.00 42.22 H new ATOM 0 HD22 LEU A 65 0.356 -12.965 -5.801 1.00 42.22 H new ATOM 0 HD23 LEU A 65 -0.534 -12.032 -7.027 1.00 42.22 H new ATOM 1010 N GLN A 66 -5.237 -12.564 -4.939 1.00 2.34 N ATOM 1011 CA GLN A 66 -6.459 -13.165 -4.345 1.00 34.05 C ATOM 1012 C GLN A 66 -7.477 -13.659 -5.406 1.00 50.45 C ATOM 1013 O GLN A 66 -8.164 -14.665 -5.189 1.00 33.21 O ATOM 1014 CB GLN A 66 -7.140 -12.139 -3.396 1.00 21.01 C ATOM 1015 CG GLN A 66 -6.301 -11.756 -2.157 1.00 30.44 C ATOM 1016 CD GLN A 66 -7.004 -10.778 -1.200 1.00 62.24 C ATOM 1017 OE1 GLN A 66 -6.364 -9.961 -0.551 1.00 43.52 O ATOM 1018 NE2 GLN A 66 -8.320 -10.867 -1.075 1.00 72.31 N ATOM 0 H GLN A 66 -5.242 -11.544 -4.934 1.00 2.34 H new ATOM 0 HA GLN A 66 -6.138 -14.045 -3.787 1.00 34.05 H new ATOM 0 HB2 GLN A 66 -7.364 -11.234 -3.961 1.00 21.01 H new ATOM 0 HB3 GLN A 66 -8.092 -12.550 -3.061 1.00 21.01 H new ATOM 0 HG2 GLN A 66 -6.046 -12.663 -1.609 1.00 30.44 H new ATOM 0 HG3 GLN A 66 -5.363 -11.311 -2.490 1.00 30.44 H new ATOM 0 HE21 GLN A 66 -8.839 -11.553 -1.623 1.00 72.31 H new ATOM 0 HE22 GLN A 66 -8.814 -10.249 -0.431 1.00 72.31 H new ATOM 1027 N VAL A 67 -7.568 -12.945 -6.541 1.00 3.12 N ATOM 1028 CA VAL A 67 -8.597 -13.179 -7.594 1.00 51.02 C ATOM 1029 C VAL A 67 -7.948 -13.621 -8.931 1.00 22.40 C ATOM 1030 O VAL A 67 -7.005 -12.982 -9.407 1.00 21.52 O ATOM 1031 CB VAL A 67 -9.463 -11.872 -7.829 1.00 71.11 C ATOM 1032 CG1 VAL A 67 -10.570 -12.088 -8.889 1.00 31.43 C ATOM 1033 CG2 VAL A 67 -10.074 -11.360 -6.498 1.00 73.24 C ATOM 0 H VAL A 67 -6.930 -12.182 -6.764 1.00 3.12 H new ATOM 0 HA VAL A 67 -9.246 -13.982 -7.243 1.00 51.02 H new ATOM 0 HB VAL A 67 -8.786 -11.110 -8.215 1.00 71.11 H new ATOM 0 HG11 VAL A 67 -11.137 -11.166 -9.016 1.00 31.43 H new ATOM 0 HG12 VAL A 67 -10.115 -12.368 -9.839 1.00 31.43 H new ATOM 0 HG13 VAL A 67 -11.239 -12.883 -8.559 1.00 31.43 H new ATOM 0 HG21 VAL A 67 -10.663 -10.463 -6.689 1.00 73.24 H new ATOM 0 HG22 VAL A 67 -10.716 -12.131 -6.072 1.00 73.24 H new ATOM 0 HG23 VAL A 67 -9.273 -11.126 -5.796 1.00 73.24 H new ATOM 1043 N VAL A 68 -8.462 -14.723 -9.527 1.00 72.22 N ATOM 1044 CA VAL A 68 -8.010 -15.209 -10.858 1.00 72.13 C ATOM 1045 C VAL A 68 -8.866 -14.603 -12.029 1.00 32.11 C ATOM 1046 O VAL A 68 -8.306 -13.865 -12.874 1.00 37.09 O ATOM 1047 CB VAL A 68 -7.965 -16.794 -10.926 1.00 21.03 C ATOM 1048 CG1 VAL A 68 -6.805 -17.350 -10.067 1.00 4.35 C ATOM 1049 CG2 VAL A 68 -9.302 -17.451 -10.503 1.00 30.34 C ATOM 1050 OXT VAL A 68 -10.100 -14.822 -12.075 1.00 37.09 O ATOM 0 H VAL A 68 -9.193 -15.296 -9.107 1.00 72.22 H new ATOM 0 HA VAL A 68 -6.989 -14.852 -10.991 1.00 72.13 H new ATOM 0 HB VAL A 68 -7.795 -17.052 -11.971 1.00 21.03 H new ATOM 0 HG11 VAL A 68 -6.795 -18.438 -10.130 1.00 4.35 H new ATOM 0 HG12 VAL A 68 -5.858 -16.956 -10.436 1.00 4.35 H new ATOM 0 HG13 VAL A 68 -6.944 -17.048 -9.029 1.00 4.35 H new ATOM 0 HG21 VAL A 68 -9.212 -18.535 -10.569 1.00 30.34 H new ATOM 0 HG22 VAL A 68 -9.538 -17.169 -9.477 1.00 30.34 H new ATOM 0 HG23 VAL A 68 -10.099 -17.112 -11.165 1.00 30.34 H new TER 1060 VAL A 68 ATOM 1061 N MET B 1 -28.380 9.891 12.306 1.00 71.25 N ATOM 1062 CA MET B 1 -29.188 10.114 13.537 1.00 4.12 C ATOM 1063 C MET B 1 -30.530 9.367 13.452 1.00 53.23 C ATOM 1064 O MET B 1 -31.192 9.408 12.415 1.00 74.24 O ATOM 1065 CB MET B 1 -29.430 11.631 13.756 1.00 24.43 C ATOM 1066 CG MET B 1 -28.153 12.442 14.013 1.00 74.43 C ATOM 1067 SD MET B 1 -28.483 14.183 14.351 1.00 20.32 S ATOM 1068 CE MET B 1 -26.828 14.783 14.701 1.00 41.12 C ATOM 0 H1 MET B 1 -27.440 10.318 12.426 1.00 71.25 H new ATOM 0 H2 MET B 1 -28.277 8.870 12.138 1.00 71.25 H new ATOM 0 H3 MET B 1 -28.858 10.329 11.493 1.00 71.25 H new ATOM 0 HA MET B 1 -28.630 9.721 14.387 1.00 4.12 H new ATOM 0 HB2 MET B 1 -29.934 12.037 12.879 1.00 24.43 H new ATOM 0 HB3 MET B 1 -30.106 11.761 14.601 1.00 24.43 H new ATOM 0 HG2 MET B 1 -27.617 12.008 14.857 1.00 74.43 H new ATOM 0 HG3 MET B 1 -27.498 12.363 13.145 1.00 74.43 H new ATOM 0 HE1 MET B 1 -26.882 15.601 15.419 1.00 41.12 H new ATOM 0 HE2 MET B 1 -26.228 13.974 15.117 1.00 41.12 H new ATOM 0 HE3 MET B 1 -26.368 15.139 13.779 1.00 41.12 H new ATOM 1080 N GLY B 2 -30.924 8.697 14.555 1.00 20.43 N ATOM 1081 CA GLY B 2 -32.180 7.935 14.605 1.00 31.15 C ATOM 1082 C GLY B 2 -32.099 6.557 13.934 1.00 73.41 C ATOM 1083 O GLY B 2 -31.409 6.382 12.923 1.00 34.24 O ATOM 0 H GLY B 2 -30.387 8.671 15.422 1.00 20.43 H new ATOM 0 HA2 GLY B 2 -32.473 7.804 15.647 1.00 31.15 H new ATOM 0 HA3 GLY B 2 -32.966 8.517 14.124 1.00 31.15 H new ATOM 1087 N HIS B 3 -32.807 5.576 14.502 1.00 31.31 N ATOM 1088 CA HIS B 3 -32.907 4.214 13.938 1.00 23.32 C ATOM 1089 C HIS B 3 -34.084 4.136 12.933 1.00 0.44 C ATOM 1090 O HIS B 3 -33.988 3.480 11.893 1.00 63.34 O ATOM 1091 CB HIS B 3 -33.093 3.189 15.092 1.00 2.54 C ATOM 1092 CG HIS B 3 -33.047 1.737 14.670 1.00 4.32 C ATOM 1093 ND1 HIS B 3 -31.873 1.019 14.686 1.00 50.14 N ATOM 1094 CD2 HIS B 3 -34.047 0.923 14.245 1.00 4.42 C ATOM 1095 CE1 HIS B 3 -32.186 -0.199 14.280 1.00 22.11 C ATOM 1096 NE2 HIS B 3 -33.489 -0.303 14.001 1.00 23.50 N ATOM 0 H HIS B 3 -33.331 5.698 15.369 1.00 31.31 H new ATOM 0 HA HIS B 3 -31.990 3.974 13.400 1.00 23.32 H new ATOM 0 HB2 HIS B 3 -32.317 3.360 15.838 1.00 2.54 H new ATOM 0 HB3 HIS B 3 -34.050 3.381 15.578 1.00 2.54 H new ATOM 0 HD2 HIS B 3 -35.086 1.192 14.123 1.00 4.42 H new ATOM 0 HE1 HIS B 3 -31.478 -1.009 14.185 1.00 22.11 H new ATOM 0 HE2 HIS B 3 -33.975 -1.136 13.670 1.00 23.50 H new ATOM 1104 N HIS B 4 -35.193 4.817 13.268 1.00 22.34 N ATOM 1105 CA HIS B 4 -36.441 4.812 12.469 1.00 5.23 C ATOM 1106 C HIS B 4 -36.579 6.137 11.677 1.00 63.23 C ATOM 1107 O HIS B 4 -36.981 7.166 12.234 1.00 13.31 O ATOM 1108 CB HIS B 4 -37.660 4.609 13.413 1.00 50.21 C ATOM 1109 CG HIS B 4 -37.604 3.343 14.233 1.00 44.40 C ATOM 1110 ND1 HIS B 4 -38.232 2.192 13.821 1.00 71.44 N ATOM 1111 CD2 HIS B 4 -36.989 3.104 15.420 1.00 41.52 C ATOM 1112 CE1 HIS B 4 -37.988 1.291 14.753 1.00 52.20 C ATOM 1113 NE2 HIS B 4 -37.240 1.797 15.737 1.00 62.41 N ATOM 0 H HIS B 4 -35.254 5.393 14.108 1.00 22.34 H new ATOM 0 HA HIS B 4 -36.406 3.991 11.753 1.00 5.23 H new ATOM 0 HB2 HIS B 4 -37.729 5.463 14.087 1.00 50.21 H new ATOM 0 HB3 HIS B 4 -38.571 4.601 12.815 1.00 50.21 H new ATOM 0 HD2 HIS B 4 -36.413 3.809 16.001 1.00 41.52 H new ATOM 0 HE1 HIS B 4 -38.348 0.273 14.724 1.00 52.20 H new ATOM 0 HE2 HIS B 4 -36.917 1.302 16.568 1.00 62.41 H new ATOM 1121 N HIS B 5 -36.210 6.116 10.383 1.00 73.24 N ATOM 1122 CA HIS B 5 -36.301 7.296 9.492 1.00 4.11 C ATOM 1123 C HIS B 5 -37.665 7.317 8.758 1.00 5.13 C ATOM 1124 O HIS B 5 -37.819 6.734 7.675 1.00 11.14 O ATOM 1125 CB HIS B 5 -35.132 7.299 8.476 1.00 23.25 C ATOM 1126 CG HIS B 5 -33.766 7.259 9.113 1.00 43.23 C ATOM 1127 ND1 HIS B 5 -32.971 6.139 9.029 1.00 31.01 N ATOM 1128 CD2 HIS B 5 -33.103 8.214 9.813 1.00 4.22 C ATOM 1129 CE1 HIS B 5 -31.860 6.434 9.670 1.00 13.40 C ATOM 1130 NE2 HIS B 5 -31.893 7.678 10.163 1.00 53.15 N ATOM 0 H HIS B 5 -35.841 5.284 9.923 1.00 73.24 H new ATOM 0 HA HIS B 5 -36.227 8.197 10.101 1.00 4.11 H new ATOM 0 HB2 HIS B 5 -35.238 6.440 7.813 1.00 23.25 H new ATOM 0 HB3 HIS B 5 -35.206 8.192 7.855 1.00 23.25 H new ATOM 0 HD2 HIS B 5 -33.461 9.205 10.048 1.00 4.22 H new ATOM 0 HE1 HIS B 5 -31.026 5.757 9.784 1.00 13.40 H new ATOM 0 HE2 HIS B 5 -31.157 8.139 10.698 1.00 53.15 H new ATOM 1138 N HIS B 6 -38.664 7.955 9.390 1.00 34.41 N ATOM 1139 CA HIS B 6 -40.037 8.056 8.845 1.00 15.35 C ATOM 1140 C HIS B 6 -40.239 9.372 8.057 1.00 45.21 C ATOM 1141 O HIS B 6 -40.175 10.464 8.625 1.00 13.44 O ATOM 1142 CB HIS B 6 -41.078 7.957 9.992 1.00 32.14 C ATOM 1143 CG HIS B 6 -41.214 6.578 10.583 1.00 54.51 C ATOM 1144 ND1 HIS B 6 -42.294 5.776 10.290 1.00 33.11 N ATOM 1145 CD2 HIS B 6 -40.385 5.907 11.419 1.00 35.20 C ATOM 1146 CE1 HIS B 6 -42.097 4.647 10.944 1.00 3.00 C ATOM 1147 NE2 HIS B 6 -40.955 4.680 11.643 1.00 52.41 N ATOM 0 H HIS B 6 -38.547 8.416 10.292 1.00 34.41 H new ATOM 0 HA HIS B 6 -40.183 7.226 8.154 1.00 15.35 H new ATOM 0 HB2 HIS B 6 -40.799 8.653 10.783 1.00 32.14 H new ATOM 0 HB3 HIS B 6 -42.050 8.276 9.615 1.00 32.14 H new ATOM 0 HD2 HIS B 6 -39.454 6.269 11.830 1.00 35.20 H new ATOM 0 HE1 HIS B 6 -42.771 3.803 10.919 1.00 3.00 H new ATOM 0 HE2 HIS B 6 -40.581 3.935 12.230 1.00 52.41 H new ATOM 1155 N HIS B 7 -40.462 9.247 6.743 1.00 34.32 N ATOM 1156 CA HIS B 7 -40.899 10.357 5.873 1.00 14.42 C ATOM 1157 C HIS B 7 -42.371 10.112 5.456 1.00 71.22 C ATOM 1158 O HIS B 7 -42.645 9.320 4.547 1.00 33.33 O ATOM 1159 CB HIS B 7 -39.961 10.459 4.636 1.00 50.33 C ATOM 1160 CG HIS B 7 -40.342 11.530 3.637 1.00 34.32 C ATOM 1161 ND1 HIS B 7 -40.571 11.232 2.311 1.00 42.31 N ATOM 1162 CD2 HIS B 7 -40.506 12.863 3.814 1.00 75.02 C ATOM 1163 CE1 HIS B 7 -40.864 12.374 1.723 1.00 73.42 C ATOM 1164 NE2 HIS B 7 -40.838 13.384 2.593 1.00 74.11 N ATOM 0 H HIS B 7 -40.344 8.365 6.244 1.00 34.32 H new ATOM 0 HA HIS B 7 -40.842 11.306 6.407 1.00 14.42 H new ATOM 0 HB2 HIS B 7 -38.945 10.650 4.983 1.00 50.33 H new ATOM 0 HB3 HIS B 7 -39.948 9.495 4.127 1.00 50.33 H new ATOM 0 HD2 HIS B 7 -40.396 13.409 4.739 1.00 75.02 H new ATOM 0 HE1 HIS B 7 -41.095 12.478 0.673 1.00 73.42 H new ATOM 0 HE2 HIS B 7 -41.030 14.364 2.387 1.00 74.11 H new ATOM 1172 N HIS B 8 -43.313 10.765 6.171 1.00 0.51 N ATOM 1173 CA HIS B 8 -44.768 10.555 5.987 1.00 43.10 C ATOM 1174 C HIS B 8 -45.275 11.291 4.714 1.00 4.11 C ATOM 1175 O HIS B 8 -45.879 10.665 3.837 1.00 64.30 O ATOM 1176 CB HIS B 8 -45.530 11.014 7.266 1.00 11.34 C ATOM 1177 CG HIS B 8 -46.913 10.432 7.440 1.00 63.11 C ATOM 1178 ND1 HIS B 8 -47.768 10.902 8.406 1.00 53.42 N ATOM 1179 CD2 HIS B 8 -47.511 9.390 6.804 1.00 53.44 C ATOM 1180 CE1 HIS B 8 -48.850 10.148 8.339 1.00 2.13 C ATOM 1181 NE2 HIS B 8 -48.740 9.218 7.384 1.00 51.11 N ATOM 0 H HIS B 8 -43.088 11.452 6.891 1.00 0.51 H new ATOM 0 HA HIS B 8 -44.963 9.493 5.839 1.00 43.10 H new ATOM 0 HB2 HIS B 8 -44.932 10.752 8.139 1.00 11.34 H new ATOM 0 HB3 HIS B 8 -45.611 12.101 7.250 1.00 11.34 H new ATOM 0 HD2 HIS B 8 -47.096 8.808 5.995 1.00 53.44 H new ATOM 0 HE1 HIS B 8 -49.715 10.267 8.975 1.00 2.13 H new ATOM 0 HE2 HIS B 8 -49.437 8.516 7.135 1.00 51.11 H new ATOM 1189 N SER B 9 -45.018 12.618 4.657 1.00 62.52 N ATOM 1190 CA SER B 9 -45.206 13.482 3.453 1.00 64.45 C ATOM 1191 C SER B 9 -46.694 13.704 3.047 1.00 42.25 C ATOM 1192 O SER B 9 -47.425 12.754 2.759 1.00 22.44 O ATOM 1193 CB SER B 9 -44.401 12.933 2.248 1.00 53.45 C ATOM 1194 OG SER B 9 -44.509 13.777 1.110 1.00 44.52 O ATOM 0 H SER B 9 -44.666 13.136 5.462 1.00 62.52 H new ATOM 0 HA SER B 9 -44.822 14.461 3.741 1.00 64.45 H new ATOM 0 HB2 SER B 9 -43.352 12.833 2.527 1.00 53.45 H new ATOM 0 HB3 SER B 9 -44.760 11.935 1.996 1.00 53.45 H new ATOM 0 HG SER B 9 -43.987 13.399 0.372 1.00 44.52 H new ATOM 1200 N HIS B 10 -47.128 14.984 3.012 1.00 11.13 N ATOM 1201 CA HIS B 10 -48.487 15.390 2.548 1.00 73.21 C ATOM 1202 C HIS B 10 -48.395 16.584 1.573 1.00 61.04 C ATOM 1203 O HIS B 10 -47.515 17.446 1.717 1.00 53.24 O ATOM 1204 CB HIS B 10 -49.397 15.749 3.752 1.00 42.41 C ATOM 1205 CG HIS B 10 -49.711 14.575 4.639 1.00 45.33 C ATOM 1206 ND1 HIS B 10 -48.879 14.155 5.655 1.00 43.42 N ATOM 1207 CD2 HIS B 10 -50.754 13.711 4.639 1.00 61.54 C ATOM 1208 CE1 HIS B 10 -49.392 13.095 6.228 1.00 13.52 C ATOM 1209 NE2 HIS B 10 -50.531 12.801 5.641 1.00 22.13 N ATOM 0 H HIS B 10 -46.549 15.771 3.304 1.00 11.13 H new ATOM 0 HA HIS B 10 -48.930 14.544 2.022 1.00 73.21 H new ATOM 0 HB2 HIS B 10 -48.911 16.523 4.346 1.00 42.41 H new ATOM 0 HB3 HIS B 10 -50.330 16.172 3.379 1.00 42.41 H new ATOM 0 HD2 HIS B 10 -51.604 13.734 3.973 1.00 61.54 H new ATOM 0 HE1 HIS B 10 -48.951 12.551 7.050 1.00 13.52 H new ATOM 0 HE2 HIS B 10 -51.146 12.026 5.889 1.00 22.13 H new ATOM 1218 N MET B 11 -49.325 16.626 0.600 1.00 44.43 N ATOM 1219 CA MET B 11 -49.327 17.620 -0.498 1.00 41.31 C ATOM 1220 C MET B 11 -49.641 19.050 0.023 1.00 1.40 C ATOM 1221 O MET B 11 -50.795 19.353 0.361 1.00 34.54 O ATOM 1222 CB MET B 11 -50.361 17.212 -1.587 1.00 22.44 C ATOM 1223 CG MET B 11 -50.182 15.793 -2.153 1.00 53.53 C ATOM 1224 SD MET B 11 -48.551 15.526 -2.888 1.00 13.10 S ATOM 1225 CE MET B 11 -48.695 13.846 -3.499 1.00 43.24 C ATOM 0 H MET B 11 -50.103 15.968 0.551 1.00 44.43 H new ATOM 0 HA MET B 11 -48.328 17.635 -0.933 1.00 41.31 H new ATOM 0 HB2 MET B 11 -51.363 17.295 -1.165 1.00 22.44 H new ATOM 0 HB3 MET B 11 -50.301 17.925 -2.409 1.00 22.44 H new ATOM 0 HG2 MET B 11 -50.338 15.067 -1.355 1.00 53.53 H new ATOM 0 HG3 MET B 11 -50.948 15.609 -2.906 1.00 53.53 H new ATOM 0 HE1 MET B 11 -47.761 13.551 -3.976 1.00 43.24 H new ATOM 0 HE2 MET B 11 -48.906 13.173 -2.668 1.00 43.24 H new ATOM 0 HE3 MET B 11 -49.506 13.791 -4.225 1.00 43.24 H new ATOM 1235 N GLY B 12 -48.597 19.899 0.128 1.00 3.34 N ATOM 1236 CA GLY B 12 -48.751 21.326 0.483 1.00 10.41 C ATOM 1237 C GLY B 12 -48.888 21.612 1.991 1.00 75.23 C ATOM 1238 O GLY B 12 -48.590 22.732 2.429 1.00 64.55 O ATOM 0 H GLY B 12 -47.629 19.617 -0.030 1.00 3.34 H new ATOM 0 HA2 GLY B 12 -47.890 21.875 0.101 1.00 10.41 H new ATOM 0 HA3 GLY B 12 -49.631 21.719 -0.027 1.00 10.41 H new ATOM 1242 N GLY B 13 -49.356 20.615 2.776 1.00 52.31 N ATOM 1243 CA GLY B 13 -49.573 20.771 4.224 1.00 42.21 C ATOM 1244 C GLY B 13 -48.275 20.768 5.035 1.00 22.32 C ATOM 1245 O GLY B 13 -47.907 19.744 5.615 1.00 71.32 O ATOM 0 H GLY B 13 -49.591 19.688 2.422 1.00 52.31 H new ATOM 0 HA2 GLY B 13 -50.105 21.705 4.406 1.00 42.21 H new ATOM 0 HA3 GLY B 13 -50.216 19.964 4.577 1.00 42.21 H new ATOM 1249 N GLY B 14 -47.586 21.927 5.067 1.00 72.31 N ATOM 1250 CA GLY B 14 -46.307 22.073 5.782 1.00 50.31 C ATOM 1251 C GLY B 14 -45.135 21.374 5.085 1.00 54.32 C ATOM 1252 O GLY B 14 -44.824 20.218 5.398 1.00 54.11 O ATOM 0 H GLY B 14 -47.899 22.779 4.602 1.00 72.31 H new ATOM 0 HA2 GLY B 14 -46.077 23.133 5.887 1.00 50.31 H new ATOM 0 HA3 GLY B 14 -46.414 21.669 6.789 1.00 50.31 H new ATOM 1256 N LYS B 15 -44.495 22.070 4.129 1.00 3.44 N ATOM 1257 CA LYS B 15 -43.304 21.547 3.423 1.00 30.04 C ATOM 1258 C LYS B 15 -41.989 21.974 4.114 1.00 32.33 C ATOM 1259 O LYS B 15 -41.889 23.083 4.657 1.00 43.11 O ATOM 1260 CB LYS B 15 -43.264 22.030 1.947 1.00 3.23 C ATOM 1261 CG LYS B 15 -44.405 21.502 1.047 1.00 10.13 C ATOM 1262 CD LYS B 15 -44.163 21.843 -0.445 1.00 22.52 C ATOM 1263 CE LYS B 15 -45.274 21.320 -1.364 1.00 30.43 C ATOM 1264 NZ LYS B 15 -44.951 21.506 -2.803 1.00 75.51 N ATOM 0 H LYS B 15 -44.781 23.000 3.824 1.00 3.44 H new ATOM 0 HA LYS B 15 -43.387 20.461 3.453 1.00 30.04 H new ATOM 0 HB2 LYS B 15 -43.291 23.120 1.938 1.00 3.23 H new ATOM 0 HB3 LYS B 15 -42.311 21.731 1.510 1.00 3.23 H new ATOM 0 HG2 LYS B 15 -44.490 20.422 1.164 1.00 10.13 H new ATOM 0 HG3 LYS B 15 -45.352 21.934 1.370 1.00 10.13 H new ATOM 0 HD2 LYS B 15 -44.084 22.924 -0.557 1.00 22.52 H new ATOM 0 HD3 LYS B 15 -43.209 21.420 -0.759 1.00 22.52 H new ATOM 0 HE2 LYS B 15 -45.438 20.261 -1.165 1.00 30.43 H new ATOM 0 HE3 LYS B 15 -46.206 21.836 -1.134 1.00 30.43 H new ATOM 0 HZ1 LYS B 15 -45.731 21.138 -3.384 1.00 75.51 H new ATOM 0 HZ2 LYS B 15 -44.820 22.518 -3.001 1.00 75.51 H new ATOM 0 HZ3 LYS B 15 -44.076 20.992 -3.032 1.00 75.51 H new ATOM 1278 N GLY B 16 -40.993 21.072 4.096 1.00 44.12 N ATOM 1279 CA GLY B 16 -39.604 21.447 4.381 1.00 21.05 C ATOM 1280 C GLY B 16 -38.938 22.041 3.128 1.00 50.53 C ATOM 1281 O GLY B 16 -39.215 21.554 2.023 1.00 0.22 O ATOM 0 H GLY B 16 -41.126 20.082 3.888 1.00 44.12 H new ATOM 0 HA2 GLY B 16 -39.577 22.173 5.193 1.00 21.05 H new ATOM 0 HA3 GLY B 16 -39.047 20.572 4.716 1.00 21.05 H new ATOM 1285 N PRO B 17 -38.079 23.112 3.247 1.00 12.21 N ATOM 1286 CA PRO B 17 -37.408 23.749 2.075 1.00 70.33 C ATOM 1287 C PRO B 17 -36.581 22.739 1.213 1.00 54.50 C ATOM 1288 O PRO B 17 -35.449 22.371 1.565 1.00 24.32 O ATOM 1289 CB PRO B 17 -36.515 24.844 2.721 1.00 12.12 C ATOM 1290 CG PRO B 17 -37.162 25.129 4.046 1.00 33.04 C ATOM 1291 CD PRO B 17 -37.710 23.795 4.518 1.00 14.31 C ATOM 0 HA PRO B 17 -38.126 24.153 1.361 1.00 70.33 H new ATOM 0 HB2 PRO B 17 -35.490 24.496 2.847 1.00 12.12 H new ATOM 0 HB3 PRO B 17 -36.473 25.739 2.100 1.00 12.12 H new ATOM 0 HG2 PRO B 17 -36.441 25.532 4.757 1.00 33.04 H new ATOM 0 HG3 PRO B 17 -37.957 25.868 3.945 1.00 33.04 H new ATOM 0 HD2 PRO B 17 -36.966 23.229 5.078 1.00 14.31 H new ATOM 0 HD3 PRO B 17 -38.572 23.922 5.172 1.00 14.31 H new ATOM 1299 N ALA B 18 -37.191 22.287 0.097 1.00 4.44 N ATOM 1300 CA ALA B 18 -36.617 21.261 -0.804 1.00 34.41 C ATOM 1301 C ALA B 18 -35.464 21.822 -1.673 1.00 12.41 C ATOM 1302 O ALA B 18 -35.703 22.582 -2.620 1.00 4.33 O ATOM 1303 CB ALA B 18 -37.732 20.675 -1.689 1.00 31.13 C ATOM 0 H ALA B 18 -38.103 22.626 -0.208 1.00 4.44 H new ATOM 0 HA ALA B 18 -36.187 20.472 -0.187 1.00 34.41 H new ATOM 0 HB1 ALA B 18 -37.311 19.920 -2.353 1.00 31.13 H new ATOM 0 HB2 ALA B 18 -38.495 20.219 -1.058 1.00 31.13 H new ATOM 0 HB3 ALA B 18 -38.181 21.471 -2.284 1.00 31.13 H new ATOM 1309 N ALA B 19 -34.223 21.458 -1.321 1.00 42.05 N ATOM 1310 CA ALA B 19 -33.017 21.811 -2.097 1.00 75.23 C ATOM 1311 C ALA B 19 -31.837 20.906 -1.696 1.00 21.30 C ATOM 1312 O ALA B 19 -31.651 20.598 -0.511 1.00 62.41 O ATOM 1313 CB ALA B 19 -32.643 23.296 -1.916 1.00 41.44 C ATOM 0 H ALA B 19 -34.022 20.907 -0.486 1.00 42.05 H new ATOM 0 HA ALA B 19 -33.241 21.652 -3.152 1.00 75.23 H new ATOM 0 HB1 ALA B 19 -31.751 23.521 -2.501 1.00 41.44 H new ATOM 0 HB2 ALA B 19 -33.467 23.923 -2.256 1.00 41.44 H new ATOM 0 HB3 ALA B 19 -32.446 23.496 -0.863 1.00 41.44 H new ATOM 1319 N GLU B 20 -31.050 20.477 -2.694 1.00 72.42 N ATOM 1320 CA GLU B 20 -29.824 19.680 -2.473 1.00 64.54 C ATOM 1321 C GLU B 20 -28.714 20.541 -1.809 1.00 13.15 C ATOM 1322 O GLU B 20 -28.597 21.748 -2.072 1.00 53.33 O ATOM 1323 CB GLU B 20 -29.306 19.046 -3.808 1.00 63.43 C ATOM 1324 CG GLU B 20 -28.821 20.039 -4.900 1.00 3.44 C ATOM 1325 CD GLU B 20 -29.957 20.770 -5.654 1.00 0.54 C ATOM 1326 OE1 GLU B 20 -30.404 21.849 -5.205 1.00 54.13 O ATOM 1327 OE2 GLU B 20 -30.401 20.272 -6.711 1.00 2.54 O ATOM 0 H GLU B 20 -31.241 20.670 -3.677 1.00 72.42 H new ATOM 0 HA GLU B 20 -30.079 18.867 -1.794 1.00 64.54 H new ATOM 0 HB2 GLU B 20 -28.484 18.371 -3.570 1.00 63.43 H new ATOM 0 HB3 GLU B 20 -30.105 18.437 -4.230 1.00 63.43 H new ATOM 0 HG2 GLU B 20 -28.174 20.783 -4.435 1.00 3.44 H new ATOM 0 HG3 GLU B 20 -28.213 19.495 -5.623 1.00 3.44 H new ATOM 1334 N GLU B 21 -27.927 19.908 -0.923 1.00 71.32 N ATOM 1335 CA GLU B 21 -26.795 20.566 -0.228 1.00 12.40 C ATOM 1336 C GLU B 21 -25.549 20.677 -1.165 1.00 24.52 C ATOM 1337 O GLU B 21 -25.211 19.709 -1.861 1.00 23.35 O ATOM 1338 CB GLU B 21 -26.459 19.797 1.088 1.00 52.02 C ATOM 1339 CG GLU B 21 -26.217 18.279 0.919 1.00 4.21 C ATOM 1340 CD GLU B 21 -26.032 17.537 2.256 1.00 54.41 C ATOM 1341 OE1 GLU B 21 -27.051 17.186 2.894 1.00 52.22 O ATOM 1342 OE2 GLU B 21 -24.878 17.307 2.676 1.00 12.30 O ATOM 0 H GLU B 21 -28.052 18.929 -0.665 1.00 71.32 H new ATOM 0 HA GLU B 21 -27.087 21.582 0.036 1.00 12.40 H new ATOM 0 HB2 GLU B 21 -25.570 20.243 1.534 1.00 52.02 H new ATOM 0 HB3 GLU B 21 -27.277 19.942 1.794 1.00 52.02 H new ATOM 0 HG2 GLU B 21 -27.059 17.842 0.383 1.00 4.21 H new ATOM 0 HG3 GLU B 21 -25.332 18.126 0.302 1.00 4.21 H new ATOM 1349 N PRO B 22 -24.857 21.868 -1.211 1.00 51.24 N ATOM 1350 CA PRO B 22 -23.704 22.097 -2.122 1.00 24.22 C ATOM 1351 C PRO B 22 -22.370 21.489 -1.593 1.00 72.41 C ATOM 1352 O PRO B 22 -21.904 21.834 -0.498 1.00 60.22 O ATOM 1353 CB PRO B 22 -23.648 23.643 -2.205 1.00 51.14 C ATOM 1354 CG PRO B 22 -24.132 24.113 -0.860 1.00 5.30 C ATOM 1355 CD PRO B 22 -25.143 23.082 -0.384 1.00 32.03 C ATOM 0 HA PRO B 22 -23.830 21.609 -3.088 1.00 24.22 H new ATOM 0 HB2 PRO B 22 -22.635 23.993 -2.406 1.00 51.14 H new ATOM 0 HB3 PRO B 22 -24.281 24.020 -3.008 1.00 51.14 H new ATOM 0 HG2 PRO B 22 -23.303 24.198 -0.157 1.00 5.30 H new ATOM 0 HG3 PRO B 22 -24.589 25.100 -0.935 1.00 5.30 H new ATOM 0 HD2 PRO B 22 -25.027 22.874 0.680 1.00 32.03 H new ATOM 0 HD3 PRO B 22 -26.165 23.431 -0.531 1.00 32.03 H new ATOM 1363 N LEU B 23 -21.789 20.560 -2.392 1.00 34.31 N ATOM 1364 CA LEU B 23 -20.491 19.872 -2.108 1.00 72.43 C ATOM 1365 C LEU B 23 -20.533 18.931 -0.867 1.00 4.11 C ATOM 1366 O LEU B 23 -21.470 18.956 -0.063 1.00 42.21 O ATOM 1367 CB LEU B 23 -19.317 20.895 -1.989 1.00 54.44 C ATOM 1368 CG LEU B 23 -19.016 21.749 -3.266 1.00 61.22 C ATOM 1369 CD1 LEU B 23 -17.888 22.773 -3.005 1.00 50.13 C ATOM 1370 CD2 LEU B 23 -18.676 20.839 -4.472 1.00 23.22 C ATOM 0 H LEU B 23 -22.212 20.258 -3.270 1.00 34.31 H new ATOM 0 HA LEU B 23 -20.311 19.228 -2.969 1.00 72.43 H new ATOM 0 HB2 LEU B 23 -19.536 21.575 -1.166 1.00 54.44 H new ATOM 0 HB3 LEU B 23 -18.412 20.350 -1.720 1.00 54.44 H new ATOM 0 HG LEU B 23 -19.918 22.310 -3.511 1.00 61.22 H new ATOM 0 HD11 LEU B 23 -17.703 23.350 -3.911 1.00 50.13 H new ATOM 0 HD12 LEU B 23 -18.186 23.446 -2.201 1.00 50.13 H new ATOM 0 HD13 LEU B 23 -16.978 22.246 -2.718 1.00 50.13 H new ATOM 0 HD21 LEU B 23 -18.471 21.456 -5.347 1.00 23.22 H new ATOM 0 HD22 LEU B 23 -17.797 20.238 -4.238 1.00 23.22 H new ATOM 0 HD23 LEU B 23 -19.520 20.182 -4.681 1.00 23.22 H new ATOM 1382 N SER B 24 -19.489 18.088 -0.741 1.00 2.10 N ATOM 1383 CA SER B 24 -19.339 17.114 0.371 1.00 14.03 C ATOM 1384 C SER B 24 -17.862 16.668 0.493 1.00 61.21 C ATOM 1385 O SER B 24 -17.038 16.980 -0.379 1.00 13.12 O ATOM 1386 CB SER B 24 -20.256 15.881 0.148 1.00 73.41 C ATOM 1387 OG SER B 24 -20.273 15.013 1.279 1.00 22.24 O ATOM 0 H SER B 24 -18.719 18.060 -1.409 1.00 2.10 H new ATOM 0 HA SER B 24 -19.639 17.601 1.299 1.00 14.03 H new ATOM 0 HB2 SER B 24 -21.270 16.218 -0.065 1.00 73.41 H new ATOM 0 HB3 SER B 24 -19.913 15.329 -0.727 1.00 73.41 H new ATOM 0 HG SER B 24 -20.863 14.251 1.098 1.00 22.24 H new ATOM 1393 N LEU B 25 -17.534 15.932 1.575 1.00 65.01 N ATOM 1394 CA LEU B 25 -16.154 15.455 1.841 1.00 21.14 C ATOM 1395 C LEU B 25 -15.816 14.215 0.979 1.00 23.25 C ATOM 1396 O LEU B 25 -16.512 13.194 1.040 1.00 34.30 O ATOM 1397 CB LEU B 25 -15.942 15.138 3.356 1.00 23.24 C ATOM 1398 CG LEU B 25 -15.895 16.371 4.331 1.00 75.22 C ATOM 1399 CD1 LEU B 25 -17.271 17.056 4.490 1.00 14.41 C ATOM 1400 CD2 LEU B 25 -15.320 15.964 5.705 1.00 21.35 C ATOM 0 H LEU B 25 -18.210 15.652 2.286 1.00 65.01 H new ATOM 0 HA LEU B 25 -15.474 16.261 1.565 1.00 21.14 H new ATOM 0 HB2 LEU B 25 -16.744 14.476 3.682 1.00 23.24 H new ATOM 0 HB3 LEU B 25 -15.009 14.584 3.461 1.00 23.24 H new ATOM 0 HG LEU B 25 -15.229 17.105 3.878 1.00 75.22 H new ATOM 0 HD11 LEU B 25 -17.180 17.900 5.174 1.00 14.41 H new ATOM 0 HD12 LEU B 25 -17.615 17.411 3.519 1.00 14.41 H new ATOM 0 HD13 LEU B 25 -17.989 16.341 4.890 1.00 14.41 H new ATOM 0 HD21 LEU B 25 -15.297 16.833 6.362 1.00 21.35 H new ATOM 0 HD22 LEU B 25 -15.948 15.191 6.148 1.00 21.35 H new ATOM 0 HD23 LEU B 25 -14.308 15.580 5.577 1.00 21.35 H new ATOM 1412 N LEU B 26 -14.732 14.319 0.194 1.00 22.11 N ATOM 1413 CA LEU B 26 -14.264 13.243 -0.706 1.00 1.52 C ATOM 1414 C LEU B 26 -12.740 13.391 -0.915 1.00 23.41 C ATOM 1415 O LEU B 26 -12.280 14.338 -1.563 1.00 20.55 O ATOM 1416 CB LEU B 26 -15.021 13.282 -2.085 1.00 24.43 C ATOM 1417 CG LEU B 26 -15.212 11.915 -2.846 1.00 41.12 C ATOM 1418 CD1 LEU B 26 -16.095 12.104 -4.098 1.00 33.44 C ATOM 1419 CD2 LEU B 26 -13.865 11.240 -3.223 1.00 2.53 C ATOM 0 H LEU B 26 -14.149 15.156 0.163 1.00 22.11 H new ATOM 0 HA LEU B 26 -14.479 12.278 -0.247 1.00 1.52 H new ATOM 0 HB2 LEU B 26 -16.007 13.714 -1.916 1.00 24.43 H new ATOM 0 HB3 LEU B 26 -14.484 13.963 -2.745 1.00 24.43 H new ATOM 0 HG LEU B 26 -15.717 11.242 -2.153 1.00 41.12 H new ATOM 0 HD11 LEU B 26 -16.213 11.148 -4.608 1.00 33.44 H new ATOM 0 HD12 LEU B 26 -17.074 12.480 -3.800 1.00 33.44 H new ATOM 0 HD13 LEU B 26 -15.622 12.818 -4.772 1.00 33.44 H new ATOM 0 HD21 LEU B 26 -14.061 10.303 -3.744 1.00 2.53 H new ATOM 0 HD22 LEU B 26 -13.294 11.904 -3.872 1.00 2.53 H new ATOM 0 HD23 LEU B 26 -13.293 11.038 -2.317 1.00 2.53 H new ATOM 1431 N ASP B 27 -11.964 12.458 -0.342 1.00 54.14 N ATOM 1432 CA ASP B 27 -10.501 12.402 -0.515 1.00 21.32 C ATOM 1433 C ASP B 27 -10.131 11.063 -1.175 1.00 71.43 C ATOM 1434 O ASP B 27 -10.096 10.034 -0.506 1.00 53.04 O ATOM 1435 CB ASP B 27 -9.790 12.566 0.854 1.00 25.31 C ATOM 1436 CG ASP B 27 -10.108 13.906 1.527 1.00 53.25 C ATOM 1437 OD1 ASP B 27 -11.097 13.980 2.293 1.00 2.12 O ATOM 1438 OD2 ASP B 27 -9.391 14.898 1.268 1.00 22.33 O ATOM 0 H ASP B 27 -12.333 11.719 0.256 1.00 54.14 H new ATOM 0 HA ASP B 27 -10.171 13.219 -1.157 1.00 21.32 H new ATOM 0 HB2 ASP B 27 -10.089 11.752 1.514 1.00 25.31 H new ATOM 0 HB3 ASP B 27 -8.713 12.482 0.712 1.00 25.31 H new ATOM 1443 N ASP B 28 -9.886 11.093 -2.499 1.00 25.30 N ATOM 1444 CA ASP B 28 -9.545 9.891 -3.314 1.00 34.44 C ATOM 1445 C ASP B 28 -8.382 9.062 -2.695 1.00 23.13 C ATOM 1446 O ASP B 28 -8.372 7.826 -2.772 1.00 31.34 O ATOM 1447 CB ASP B 28 -9.167 10.336 -4.745 1.00 53.03 C ATOM 1448 CG ASP B 28 -10.265 11.184 -5.413 1.00 33.35 C ATOM 1449 OD1 ASP B 28 -10.348 12.399 -5.115 1.00 25.34 O ATOM 1450 OD2 ASP B 28 -11.044 10.651 -6.238 1.00 22.54 O ATOM 0 H ASP B 28 -9.917 11.954 -3.045 1.00 25.30 H new ATOM 0 HA ASP B 28 -10.423 9.245 -3.335 1.00 34.44 H new ATOM 0 HB2 ASP B 28 -8.241 10.910 -4.710 1.00 53.03 H new ATOM 0 HB3 ASP B 28 -8.972 9.454 -5.356 1.00 53.03 H new ATOM 1455 N MET B 29 -7.419 9.769 -2.066 1.00 74.13 N ATOM 1456 CA MET B 29 -6.295 9.137 -1.349 1.00 12.13 C ATOM 1457 C MET B 29 -6.784 8.360 -0.106 1.00 13.21 C ATOM 1458 O MET B 29 -6.367 7.230 0.117 1.00 54.15 O ATOM 1459 CB MET B 29 -5.246 10.197 -0.922 1.00 20.52 C ATOM 1460 CG MET B 29 -4.717 11.067 -2.074 1.00 21.22 C ATOM 1461 SD MET B 29 -3.096 11.794 -1.735 1.00 3.51 S ATOM 1462 CE MET B 29 -2.085 10.317 -1.640 1.00 34.54 C ATOM 0 H MET B 29 -7.400 10.789 -2.042 1.00 74.13 H new ATOM 0 HA MET B 29 -5.829 8.431 -2.037 1.00 12.13 H new ATOM 0 HB2 MET B 29 -5.690 10.846 -0.167 1.00 20.52 H new ATOM 0 HB3 MET B 29 -4.405 9.689 -0.451 1.00 20.52 H new ATOM 0 HG2 MET B 29 -4.654 10.461 -2.978 1.00 21.22 H new ATOM 0 HG3 MET B 29 -5.431 11.866 -2.274 1.00 21.22 H new ATOM 0 HE1 MET B 29 -1.048 10.571 -1.861 1.00 34.54 H new ATOM 0 HE2 MET B 29 -2.149 9.896 -0.637 1.00 34.54 H new ATOM 0 HE3 MET B 29 -2.442 9.585 -2.364 1.00 34.54 H new ATOM 1472 N ASN B 30 -7.683 8.990 0.680 1.00 21.41 N ATOM 1473 CA ASN B 30 -8.266 8.388 1.907 1.00 31.42 C ATOM 1474 C ASN B 30 -9.147 7.157 1.571 1.00 63.33 C ATOM 1475 O ASN B 30 -9.200 6.207 2.346 1.00 65.15 O ATOM 1476 CB ASN B 30 -9.070 9.462 2.686 1.00 24.31 C ATOM 1477 CG ASN B 30 -9.705 8.944 3.982 1.00 13.20 C ATOM 1478 OD1 ASN B 30 -10.856 8.525 4.003 1.00 52.25 O ATOM 1479 ND2 ASN B 30 -8.954 8.948 5.063 1.00 62.24 N ATOM 0 H ASN B 30 -8.028 9.930 0.485 1.00 21.41 H new ATOM 0 HA ASN B 30 -7.453 8.032 2.540 1.00 31.42 H new ATOM 0 HB2 ASN B 30 -8.408 10.295 2.925 1.00 24.31 H new ATOM 0 HB3 ASN B 30 -9.855 9.854 2.040 1.00 24.31 H new ATOM 0 HD21 ASN B 30 -9.327 8.597 5.945 1.00 62.24 H new ATOM 0 HD22 ASN B 30 -7.999 9.302 5.019 1.00 62.24 H new ATOM 1486 N HIS B 31 -9.832 7.200 0.412 1.00 22.25 N ATOM 1487 CA HIS B 31 -10.621 6.059 -0.119 1.00 4.21 C ATOM 1488 C HIS B 31 -9.709 4.857 -0.482 1.00 24.21 C ATOM 1489 O HIS B 31 -10.098 3.696 -0.306 1.00 12.54 O ATOM 1490 CB HIS B 31 -11.455 6.510 -1.349 1.00 31.44 C ATOM 1491 CG HIS B 31 -12.587 7.455 -1.019 1.00 33.40 C ATOM 1492 ND1 HIS B 31 -12.412 8.522 -0.175 1.00 1.20 N ATOM 1493 CD2 HIS B 31 -13.881 7.441 -1.435 1.00 35.43 C ATOM 1494 CE1 HIS B 31 -13.580 9.125 -0.093 1.00 52.43 C ATOM 1495 NE2 HIS B 31 -14.501 8.507 -0.839 1.00 44.12 N ATOM 0 H HIS B 31 -9.857 8.025 -0.187 1.00 22.25 H new ATOM 0 HA HIS B 31 -11.303 5.726 0.664 1.00 4.21 H new ATOM 0 HB2 HIS B 31 -10.791 6.993 -2.066 1.00 31.44 H new ATOM 0 HB3 HIS B 31 -11.865 5.627 -1.839 1.00 31.44 H new ATOM 0 HD1 HIS B 31 -11.549 8.794 0.296 1.00 1.20 H new ATOM 0 HD2 HIS B 31 -14.333 6.726 -2.107 1.00 35.43 H new ATOM 0 HE1 HIS B 31 -13.770 10.007 0.501 1.00 52.43 H new ATOM 1503 N CYS B 32 -8.501 5.148 -1.001 1.00 13.11 N ATOM 1504 CA CYS B 32 -7.466 4.117 -1.251 1.00 51.40 C ATOM 1505 C CYS B 32 -6.889 3.577 0.087 1.00 13.52 C ATOM 1506 O CYS B 32 -6.707 2.366 0.253 1.00 21.00 O ATOM 1507 CB CYS B 32 -6.341 4.695 -2.134 1.00 51.15 C ATOM 1508 SG CYS B 32 -6.893 5.297 -3.747 1.00 2.14 S ATOM 0 H CYS B 32 -8.213 6.092 -1.258 1.00 13.11 H new ATOM 0 HA CYS B 32 -7.930 3.283 -1.778 1.00 51.40 H new ATOM 0 HB2 CYS B 32 -5.860 5.514 -1.599 1.00 51.15 H new ATOM 0 HB3 CYS B 32 -5.584 3.926 -2.286 1.00 51.15 H new ATOM 0 HG CYS B 32 -7.568 6.397 -3.592 1.00 2.14 H new ATOM 1514 N TYR B 33 -6.637 4.505 1.042 1.00 14.42 N ATOM 1515 CA TYR B 33 -6.182 4.184 2.418 1.00 73.02 C ATOM 1516 C TYR B 33 -7.207 3.313 3.176 1.00 75.44 C ATOM 1517 O TYR B 33 -6.824 2.523 4.043 1.00 34.14 O ATOM 1518 CB TYR B 33 -5.886 5.484 3.231 1.00 70.04 C ATOM 1519 CG TYR B 33 -4.534 6.150 2.912 1.00 21.53 C ATOM 1520 CD1 TYR B 33 -3.353 5.424 3.029 1.00 44.31 C ATOM 1521 CD2 TYR B 33 -4.428 7.499 2.544 1.00 20.43 C ATOM 1522 CE1 TYR B 33 -2.130 6.000 2.794 1.00 25.55 C ATOM 1523 CE2 TYR B 33 -3.199 8.081 2.296 1.00 63.25 C ATOM 1524 CZ TYR B 33 -2.052 7.330 2.425 1.00 65.35 C ATOM 1525 OH TYR B 33 -0.826 7.914 2.195 1.00 65.42 O ATOM 0 H TYR B 33 -6.745 5.506 0.878 1.00 14.42 H new ATOM 0 HA TYR B 33 -5.260 3.612 2.318 1.00 73.02 H new ATOM 0 HB2 TYR B 33 -6.683 6.203 3.043 1.00 70.04 H new ATOM 0 HB3 TYR B 33 -5.916 5.246 4.294 1.00 70.04 H new ATOM 0 HD1 TYR B 33 -3.400 4.383 3.311 1.00 44.31 H new ATOM 0 HD2 TYR B 33 -5.324 8.095 2.453 1.00 20.43 H new ATOM 0 HE1 TYR B 33 -1.228 5.414 2.897 1.00 25.55 H new ATOM 0 HE2 TYR B 33 -3.139 9.119 2.003 1.00 63.25 H new ATOM 0 HH TYR B 33 -0.645 7.926 1.232 1.00 65.42 H new ATOM 1535 N SER B 34 -8.505 3.482 2.846 1.00 40.24 N ATOM 1536 CA SER B 34 -9.596 2.656 3.402 1.00 32.42 C ATOM 1537 C SER B 34 -9.367 1.163 3.081 1.00 62.10 C ATOM 1538 O SER B 34 -9.412 0.326 3.970 1.00 42.53 O ATOM 1539 CB SER B 34 -10.979 3.109 2.860 1.00 11.21 C ATOM 1540 OG SER B 34 -11.264 4.462 3.194 1.00 20.20 O ATOM 0 H SER B 34 -8.825 4.193 2.188 1.00 40.24 H new ATOM 0 HA SER B 34 -9.592 2.790 4.484 1.00 32.42 H new ATOM 0 HB2 SER B 34 -11.001 2.991 1.777 1.00 11.21 H new ATOM 0 HB3 SER B 34 -11.757 2.463 3.267 1.00 11.21 H new ATOM 0 HG SER B 34 -10.523 5.034 2.903 1.00 20.20 H new ATOM 1546 N ARG B 35 -9.076 0.863 1.801 1.00 30.33 N ATOM 1547 CA ARG B 35 -8.837 -0.521 1.328 1.00 41.33 C ATOM 1548 C ARG B 35 -7.453 -1.059 1.750 1.00 72.33 C ATOM 1549 O ARG B 35 -7.288 -2.262 1.927 1.00 22.21 O ATOM 1550 CB ARG B 35 -9.041 -0.598 -0.199 1.00 61.31 C ATOM 1551 CG ARG B 35 -10.488 -0.276 -0.629 1.00 73.23 C ATOM 1552 CD ARG B 35 -11.510 -1.297 -0.083 1.00 13.41 C ATOM 1553 NE ARG B 35 -12.908 -0.907 -0.342 1.00 31.22 N ATOM 1554 CZ ARG B 35 -13.973 -1.517 0.143 1.00 73.42 C ATOM 1555 NH1 ARG B 35 -13.868 -2.591 0.878 1.00 14.21 N ATOM 1556 NH2 ARG B 35 -15.150 -1.057 -0.128 1.00 13.32 N ATOM 0 H ARG B 35 -8.999 1.566 1.066 1.00 30.33 H new ATOM 0 HA ARG B 35 -9.568 -1.170 1.810 1.00 41.33 H new ATOM 0 HB2 ARG B 35 -8.359 0.098 -0.687 1.00 61.31 H new ATOM 0 HB3 ARG B 35 -8.778 -1.597 -0.546 1.00 61.31 H new ATOM 0 HG2 ARG B 35 -10.754 0.721 -0.279 1.00 73.23 H new ATOM 0 HG3 ARG B 35 -10.544 -0.257 -1.717 1.00 73.23 H new ATOM 0 HD2 ARG B 35 -11.320 -2.270 -0.536 1.00 13.41 H new ATOM 0 HD3 ARG B 35 -11.363 -1.411 0.991 1.00 13.41 H new ATOM 0 HE ARG B 35 -13.065 -0.100 -0.945 1.00 31.22 H new ATOM 0 HH11 ARG B 35 -12.948 -2.977 1.089 1.00 14.21 H new ATOM 0 HH12 ARG B 35 -14.706 -3.044 1.241 1.00 14.21 H new ATOM 0 HH21 ARG B 35 -15.251 -0.228 -0.713 1.00 13.32 H new ATOM 0 HH22 ARG B 35 -15.978 -1.523 0.243 1.00 13.32 H new ATOM 1570 N LEU B 36 -6.475 -0.164 1.935 1.00 34.04 N ATOM 1571 CA LEU B 36 -5.188 -0.522 2.578 1.00 55.22 C ATOM 1572 C LEU B 36 -5.392 -0.826 4.085 1.00 34.32 C ATOM 1573 O LEU B 36 -4.561 -1.457 4.715 1.00 41.41 O ATOM 1574 CB LEU B 36 -4.141 0.597 2.396 1.00 41.21 C ATOM 1575 CG LEU B 36 -3.796 0.996 0.926 1.00 30.33 C ATOM 1576 CD1 LEU B 36 -2.736 2.115 0.894 1.00 75.21 C ATOM 1577 CD2 LEU B 36 -3.340 -0.226 0.088 1.00 43.20 C ATOM 0 H LEU B 36 -6.542 0.814 1.652 1.00 34.04 H new ATOM 0 HA LEU B 36 -4.813 -1.421 2.088 1.00 55.22 H new ATOM 0 HB2 LEU B 36 -4.498 1.486 2.916 1.00 41.21 H new ATOM 0 HB3 LEU B 36 -3.220 0.287 2.890 1.00 41.21 H new ATOM 0 HG LEU B 36 -4.709 1.378 0.470 1.00 30.33 H new ATOM 0 HD11 LEU B 36 -2.513 2.375 -0.141 1.00 75.21 H new ATOM 0 HD12 LEU B 36 -3.118 2.993 1.415 1.00 75.21 H new ATOM 0 HD13 LEU B 36 -1.827 1.769 1.385 1.00 75.21 H new ATOM 0 HD21 LEU B 36 -3.110 0.095 -0.928 1.00 43.20 H new ATOM 0 HD22 LEU B 36 -2.451 -0.666 0.540 1.00 43.20 H new ATOM 0 HD23 LEU B 36 -4.138 -0.968 0.062 1.00 43.20 H new ATOM 1589 N ARG B 37 -6.482 -0.303 4.661 1.00 24.24 N ATOM 1590 CA ARG B 37 -6.902 -0.612 6.047 1.00 33.15 C ATOM 1591 C ARG B 37 -7.826 -1.873 6.097 1.00 11.21 C ATOM 1592 O ARG B 37 -7.998 -2.469 7.165 1.00 52.42 O ATOM 1593 CB ARG B 37 -7.590 0.657 6.689 1.00 14.45 C ATOM 1594 CG ARG B 37 -6.782 1.356 7.826 1.00 72.02 C ATOM 1595 CD ARG B 37 -7.168 0.867 9.242 1.00 61.12 C ATOM 1596 NE ARG B 37 -7.159 -0.608 9.353 1.00 74.41 N ATOM 1597 CZ ARG B 37 -7.719 -1.304 10.315 1.00 75.11 C ATOM 1598 NH1 ARG B 37 -8.201 -0.734 11.376 1.00 44.33 N ATOM 1599 NH2 ARG B 37 -7.775 -2.589 10.210 1.00 21.23 N ATOM 0 H ARG B 37 -7.104 0.349 4.183 1.00 24.24 H new ATOM 0 HA ARG B 37 -6.020 -0.856 6.638 1.00 33.15 H new ATOM 0 HB2 ARG B 37 -7.778 1.385 5.900 1.00 14.45 H new ATOM 0 HB3 ARG B 37 -8.561 0.360 7.086 1.00 14.45 H new ATOM 0 HG2 ARG B 37 -5.718 1.181 7.666 1.00 72.02 H new ATOM 0 HG3 ARG B 37 -6.940 2.433 7.765 1.00 72.02 H new ATOM 0 HD2 ARG B 37 -6.474 1.287 9.970 1.00 61.12 H new ATOM 0 HD3 ARG B 37 -8.160 1.241 9.494 1.00 61.12 H new ATOM 0 HE ARG B 37 -6.677 -1.128 8.620 1.00 74.41 H new ATOM 0 HH11 ARG B 37 -8.150 0.280 11.478 1.00 44.33 H new ATOM 0 HH12 ARG B 37 -8.631 -1.299 12.108 1.00 44.33 H new ATOM 0 HH21 ARG B 37 -7.387 -3.051 9.387 1.00 21.23 H new ATOM 0 HH22 ARG B 37 -8.207 -3.143 10.950 1.00 21.23 H new ATOM 1613 N GLU B 38 -8.404 -2.276 4.936 1.00 63.03 N ATOM 1614 CA GLU B 38 -9.289 -3.476 4.848 1.00 33.12 C ATOM 1615 C GLU B 38 -8.481 -4.767 4.559 1.00 31.31 C ATOM 1616 O GLU B 38 -8.784 -5.835 5.099 1.00 61.03 O ATOM 1617 CB GLU B 38 -10.371 -3.283 3.743 1.00 13.33 C ATOM 1618 CG GLU B 38 -11.366 -2.121 3.974 1.00 52.41 C ATOM 1619 CD GLU B 38 -12.229 -2.279 5.236 1.00 22.35 C ATOM 1620 OE1 GLU B 38 -13.310 -2.901 5.148 1.00 32.20 O ATOM 1621 OE2 GLU B 38 -11.834 -1.785 6.320 1.00 13.31 O ATOM 0 H GLU B 38 -8.276 -1.791 4.048 1.00 63.03 H new ATOM 0 HA GLU B 38 -9.775 -3.585 5.817 1.00 33.12 H new ATOM 0 HB2 GLU B 38 -9.866 -3.121 2.791 1.00 13.33 H new ATOM 0 HB3 GLU B 38 -10.938 -4.209 3.650 1.00 13.33 H new ATOM 0 HG2 GLU B 38 -10.808 -1.187 4.042 1.00 52.41 H new ATOM 0 HG3 GLU B 38 -12.021 -2.039 3.106 1.00 52.41 H new ATOM 1628 N LEU B 39 -7.457 -4.648 3.694 1.00 33.11 N ATOM 1629 CA LEU B 39 -6.668 -5.804 3.192 1.00 14.02 C ATOM 1630 C LEU B 39 -5.477 -6.174 4.113 1.00 24.43 C ATOM 1631 O LEU B 39 -4.805 -7.187 3.881 1.00 41.33 O ATOM 1632 CB LEU B 39 -6.169 -5.508 1.749 1.00 51.34 C ATOM 1633 CG LEU B 39 -7.288 -5.283 0.674 1.00 13.12 C ATOM 1634 CD1 LEU B 39 -6.694 -4.843 -0.684 1.00 64.44 C ATOM 1635 CD2 LEU B 39 -8.175 -6.545 0.512 1.00 61.10 C ATOM 0 H LEU B 39 -7.148 -3.751 3.319 1.00 33.11 H new ATOM 0 HA LEU B 39 -7.331 -6.669 3.187 1.00 14.02 H new ATOM 0 HB2 LEU B 39 -5.536 -4.621 1.778 1.00 51.34 H new ATOM 0 HB3 LEU B 39 -5.541 -6.338 1.424 1.00 51.34 H new ATOM 0 HG LEU B 39 -7.922 -4.472 1.032 1.00 13.12 H new ATOM 0 HD11 LEU B 39 -7.500 -4.697 -1.403 1.00 64.44 H new ATOM 0 HD12 LEU B 39 -6.148 -3.909 -0.556 1.00 64.44 H new ATOM 0 HD13 LEU B 39 -6.015 -5.613 -1.051 1.00 64.44 H new ATOM 0 HD21 LEU B 39 -8.941 -6.357 -0.240 1.00 61.10 H new ATOM 0 HD22 LEU B 39 -7.557 -7.386 0.198 1.00 61.10 H new ATOM 0 HD23 LEU B 39 -8.651 -6.780 1.464 1.00 61.10 H new ATOM 1647 N VAL B 40 -5.214 -5.355 5.157 1.00 34.53 N ATOM 1648 CA VAL B 40 -4.112 -5.609 6.126 1.00 15.24 C ATOM 1649 C VAL B 40 -4.677 -6.014 7.517 1.00 52.24 C ATOM 1650 O VAL B 40 -5.156 -5.153 8.264 1.00 15.22 O ATOM 1651 CB VAL B 40 -3.176 -4.350 6.284 1.00 13.34 C ATOM 1652 CG1 VAL B 40 -1.946 -4.662 7.182 1.00 22.41 C ATOM 1653 CG2 VAL B 40 -2.740 -3.818 4.900 1.00 41.24 C ATOM 0 H VAL B 40 -5.749 -4.509 5.354 1.00 34.53 H new ATOM 0 HA VAL B 40 -3.520 -6.432 5.726 1.00 15.24 H new ATOM 0 HB VAL B 40 -3.749 -3.568 6.783 1.00 13.34 H new ATOM 0 HG11 VAL B 40 -1.323 -3.772 7.268 1.00 22.41 H new ATOM 0 HG12 VAL B 40 -2.286 -4.965 8.172 1.00 22.41 H new ATOM 0 HG13 VAL B 40 -1.365 -5.469 6.736 1.00 22.41 H new ATOM 0 HG21 VAL B 40 -2.095 -2.949 5.031 1.00 41.24 H new ATOM 0 HG22 VAL B 40 -2.196 -4.597 4.366 1.00 41.24 H new ATOM 0 HG23 VAL B 40 -3.621 -3.532 4.326 1.00 41.24 H new ATOM 1663 N PRO B 41 -4.656 -7.340 7.882 1.00 31.31 N ATOM 1664 CA PRO B 41 -5.060 -7.810 9.232 1.00 4.34 C ATOM 1665 C PRO B 41 -3.945 -7.650 10.302 1.00 24.30 C ATOM 1666 O PRO B 41 -4.173 -7.930 11.481 1.00 32.34 O ATOM 1667 CB PRO B 41 -5.398 -9.299 8.981 1.00 65.23 C ATOM 1668 CG PRO B 41 -4.446 -9.706 7.896 1.00 2.15 C ATOM 1669 CD PRO B 41 -4.291 -8.487 7.002 1.00 4.15 C ATOM 0 HA PRO B 41 -5.886 -7.229 9.641 1.00 4.34 H new ATOM 0 HB2 PRO B 41 -5.258 -9.898 9.881 1.00 65.23 H new ATOM 0 HB3 PRO B 41 -6.435 -9.427 8.671 1.00 65.23 H new ATOM 0 HG2 PRO B 41 -3.486 -10.010 8.312 1.00 2.15 H new ATOM 0 HG3 PRO B 41 -4.834 -10.556 7.334 1.00 2.15 H new ATOM 0 HD2 PRO B 41 -3.271 -8.394 6.629 1.00 4.15 H new ATOM 0 HD3 PRO B 41 -4.945 -8.545 6.132 1.00 4.15 H new ATOM 1677 N GLY B 42 -2.742 -7.191 9.876 1.00 22.11 N ATOM 1678 CA GLY B 42 -1.595 -6.968 10.782 1.00 71.03 C ATOM 1679 C GLY B 42 -1.640 -5.618 11.509 1.00 64.51 C ATOM 1680 O GLY B 42 -0.674 -4.850 11.484 1.00 2.22 O ATOM 0 H GLY B 42 -2.544 -6.967 8.901 1.00 22.11 H new ATOM 0 HA2 GLY B 42 -1.566 -7.768 11.521 1.00 71.03 H new ATOM 0 HA3 GLY B 42 -0.671 -7.031 10.207 1.00 71.03 H new ATOM 1684 N VAL B 43 -2.780 -5.348 12.166 1.00 71.53 N ATOM 1685 CA VAL B 43 -3.048 -4.102 12.920 1.00 44.43 C ATOM 1686 C VAL B 43 -2.936 -4.377 14.446 1.00 34.13 C ATOM 1687 O VAL B 43 -3.432 -5.412 14.903 1.00 14.50 O ATOM 1688 CB VAL B 43 -4.488 -3.563 12.549 1.00 33.22 C ATOM 1689 CG1 VAL B 43 -4.846 -2.255 13.293 1.00 33.32 C ATOM 1690 CG2 VAL B 43 -4.627 -3.377 11.015 1.00 50.13 C ATOM 0 H VAL B 43 -3.562 -6.002 12.191 1.00 71.53 H new ATOM 0 HA VAL B 43 -2.312 -3.343 12.654 1.00 44.43 H new ATOM 0 HB VAL B 43 -5.201 -4.319 12.879 1.00 33.22 H new ATOM 0 HG11 VAL B 43 -5.845 -1.931 13.000 1.00 33.32 H new ATOM 0 HG12 VAL B 43 -4.822 -2.430 14.369 1.00 33.32 H new ATOM 0 HG13 VAL B 43 -4.124 -1.481 13.036 1.00 33.32 H new ATOM 0 HG21 VAL B 43 -5.625 -3.006 10.782 1.00 50.13 H new ATOM 0 HG22 VAL B 43 -3.883 -2.661 10.666 1.00 50.13 H new ATOM 0 HG23 VAL B 43 -4.471 -4.334 10.517 1.00 50.13 H new ATOM 1700 N PRO B 44 -2.273 -3.480 15.261 1.00 32.32 N ATOM 1701 CA PRO B 44 -2.138 -3.680 16.731 1.00 13.01 C ATOM 1702 C PRO B 44 -3.489 -3.589 17.494 1.00 64.34 C ATOM 1703 O PRO B 44 -4.504 -3.145 16.937 1.00 63.43 O ATOM 1704 CB PRO B 44 -1.164 -2.543 17.175 1.00 5.41 C ATOM 1705 CG PRO B 44 -0.533 -2.048 15.904 1.00 75.33 C ATOM 1706 CD PRO B 44 -1.589 -2.227 14.838 1.00 71.54 C ATOM 0 HA PRO B 44 -1.773 -4.681 16.961 1.00 13.01 H new ATOM 0 HB2 PRO B 44 -1.699 -1.743 17.687 1.00 5.41 H new ATOM 0 HB3 PRO B 44 -0.411 -2.918 17.869 1.00 5.41 H new ATOM 0 HG2 PRO B 44 -0.237 -1.003 15.993 1.00 75.33 H new ATOM 0 HG3 PRO B 44 0.367 -2.615 15.665 1.00 75.33 H new ATOM 0 HD2 PRO B 44 -2.277 -1.382 14.804 1.00 71.54 H new ATOM 0 HD3 PRO B 44 -1.150 -2.321 13.845 1.00 71.54 H new ATOM 1714 N ARG B 45 -3.492 -4.033 18.767 1.00 65.02 N ATOM 1715 CA ARG B 45 -4.650 -3.878 19.673 1.00 1.53 C ATOM 1716 C ARG B 45 -4.792 -2.391 20.093 1.00 60.13 C ATOM 1717 O ARG B 45 -4.142 -1.925 21.037 1.00 13.23 O ATOM 1718 CB ARG B 45 -4.498 -4.821 20.900 1.00 75.34 C ATOM 1719 CG ARG B 45 -4.564 -6.339 20.568 1.00 65.42 C ATOM 1720 CD ARG B 45 -6.004 -6.874 20.387 1.00 41.25 C ATOM 1721 NE ARG B 45 -6.754 -6.242 19.281 1.00 60.22 N ATOM 1722 CZ ARG B 45 -8.066 -6.231 19.156 1.00 71.03 C ATOM 1723 NH1 ARG B 45 -8.837 -6.804 20.034 1.00 42.05 N ATOM 1724 NH2 ARG B 45 -8.604 -5.634 18.141 1.00 11.32 N ATOM 0 H ARG B 45 -2.697 -4.507 19.195 1.00 65.02 H new ATOM 0 HA ARG B 45 -5.565 -4.164 19.155 1.00 1.53 H new ATOM 0 HB2 ARG B 45 -3.545 -4.611 21.386 1.00 75.34 H new ATOM 0 HB3 ARG B 45 -5.282 -4.586 21.620 1.00 75.34 H new ATOM 0 HG2 ARG B 45 -3.999 -6.527 19.655 1.00 65.42 H new ATOM 0 HG3 ARG B 45 -4.076 -6.898 21.366 1.00 65.42 H new ATOM 0 HD2 ARG B 45 -5.960 -7.949 20.213 1.00 41.25 H new ATOM 0 HD3 ARG B 45 -6.554 -6.724 21.316 1.00 41.25 H new ATOM 0 HE ARG B 45 -6.211 -5.776 18.554 1.00 60.22 H new ATOM 0 HH11 ARG B 45 -8.428 -7.275 20.841 1.00 42.05 H new ATOM 0 HH12 ARG B 45 -9.850 -6.782 19.915 1.00 42.05 H new ATOM 0 HH21 ARG B 45 -8.013 -5.177 17.446 1.00 11.32 H new ATOM 0 HH22 ARG B 45 -9.619 -5.621 18.036 1.00 11.32 H new ATOM 1738 N GLY B 46 -5.643 -1.660 19.355 1.00 71.04 N ATOM 1739 CA GLY B 46 -5.706 -0.191 19.418 1.00 12.43 C ATOM 1740 C GLY B 46 -5.093 0.473 18.181 1.00 35.34 C ATOM 1741 O GLY B 46 -4.774 -0.218 17.207 1.00 30.11 O ATOM 0 H GLY B 46 -6.306 -2.071 18.698 1.00 71.04 H new ATOM 0 HA2 GLY B 46 -6.746 0.122 19.517 1.00 12.43 H new ATOM 0 HA3 GLY B 46 -5.183 0.155 20.310 1.00 12.43 H new ATOM 1745 N THR B 47 -4.935 1.814 18.234 1.00 72.04 N ATOM 1746 CA THR B 47 -4.341 2.645 17.147 1.00 65.43 C ATOM 1747 C THR B 47 -5.219 2.656 15.859 1.00 13.10 C ATOM 1748 O THR B 47 -5.338 1.647 15.154 1.00 4.23 O ATOM 1749 CB THR B 47 -2.864 2.216 16.792 1.00 13.43 C ATOM 1750 OG1 THR B 47 -2.068 2.194 17.998 1.00 42.13 O ATOM 1751 CG2 THR B 47 -2.199 3.163 15.772 1.00 13.34 C ATOM 0 H THR B 47 -5.219 2.365 19.044 1.00 72.04 H new ATOM 0 HA THR B 47 -4.309 3.659 17.545 1.00 65.43 H new ATOM 0 HB THR B 47 -2.917 1.226 16.339 1.00 13.43 H new ATOM 0 HG1 THR B 47 -1.151 1.926 17.780 1.00 42.13 H new ATOM 0 HG21 THR B 47 -1.185 2.820 15.565 1.00 13.34 H new ATOM 0 HG22 THR B 47 -2.777 3.166 14.848 1.00 13.34 H new ATOM 0 HG23 THR B 47 -2.164 4.172 16.182 1.00 13.34 H new ATOM 1759 N GLN B 48 -5.822 3.825 15.552 1.00 73.55 N ATOM 1760 CA GLN B 48 -6.671 4.033 14.341 1.00 40.14 C ATOM 1761 C GLN B 48 -5.835 4.004 13.020 1.00 41.21 C ATOM 1762 O GLN B 48 -6.398 3.876 11.923 1.00 34.22 O ATOM 1763 CB GLN B 48 -7.434 5.387 14.497 1.00 13.05 C ATOM 1764 CG GLN B 48 -8.456 5.724 13.381 1.00 15.24 C ATOM 1765 CD GLN B 48 -9.182 7.064 13.587 1.00 31.12 C ATOM 1766 OE1 GLN B 48 -8.654 7.998 14.180 1.00 12.42 O ATOM 1767 NE2 GLN B 48 -10.390 7.178 13.077 1.00 52.55 N ATOM 0 H GLN B 48 -5.738 4.658 16.134 1.00 73.55 H new ATOM 0 HA GLN B 48 -7.383 3.211 14.265 1.00 40.14 H new ATOM 0 HB2 GLN B 48 -7.959 5.377 15.452 1.00 13.05 H new ATOM 0 HB3 GLN B 48 -6.700 6.191 14.545 1.00 13.05 H new ATOM 0 HG2 GLN B 48 -7.938 5.746 12.422 1.00 15.24 H new ATOM 0 HG3 GLN B 48 -9.196 4.925 13.326 1.00 15.24 H new ATOM 0 HE21 GLN B 48 -10.813 6.390 12.587 1.00 52.55 H new ATOM 0 HE22 GLN B 48 -10.903 8.054 13.172 1.00 52.55 H new ATOM 1776 N LEU B 49 -4.494 4.093 13.175 1.00 51.24 N ATOM 1777 CA LEU B 49 -3.489 4.108 12.080 1.00 12.05 C ATOM 1778 C LEU B 49 -3.469 5.460 11.328 1.00 43.40 C ATOM 1779 O LEU B 49 -4.399 5.788 10.581 1.00 13.11 O ATOM 1780 CB LEU B 49 -3.647 2.914 11.084 1.00 10.32 C ATOM 1781 CG LEU B 49 -3.447 1.483 11.672 1.00 22.21 C ATOM 1782 CD1 LEU B 49 -3.648 0.395 10.592 1.00 72.12 C ATOM 1783 CD2 LEU B 49 -2.067 1.350 12.343 1.00 34.34 C ATOM 0 H LEU B 49 -4.064 4.159 14.098 1.00 51.24 H new ATOM 0 HA LEU B 49 -2.523 3.982 12.569 1.00 12.05 H new ATOM 0 HB2 LEU B 49 -4.643 2.966 10.645 1.00 10.32 H new ATOM 0 HB3 LEU B 49 -2.933 3.051 10.272 1.00 10.32 H new ATOM 0 HG LEU B 49 -4.209 1.331 12.436 1.00 22.21 H new ATOM 0 HD11 LEU B 49 -3.501 -0.590 11.036 1.00 72.12 H new ATOM 0 HD12 LEU B 49 -4.658 0.465 10.189 1.00 72.12 H new ATOM 0 HD13 LEU B 49 -2.926 0.542 9.789 1.00 72.12 H new ATOM 0 HD21 LEU B 49 -1.953 0.343 12.745 1.00 34.34 H new ATOM 0 HD22 LEU B 49 -1.285 1.538 11.607 1.00 34.34 H new ATOM 0 HD23 LEU B 49 -1.985 2.075 13.153 1.00 34.34 H new ATOM 1795 N SER B 50 -2.384 6.234 11.549 1.00 33.24 N ATOM 1796 CA SER B 50 -2.127 7.515 10.848 1.00 61.44 C ATOM 1797 C SER B 50 -1.756 7.277 9.364 1.00 51.13 C ATOM 1798 O SER B 50 -1.339 6.180 9.006 1.00 23.15 O ATOM 1799 CB SER B 50 -0.994 8.289 11.568 1.00 62.42 C ATOM 1800 OG SER B 50 -0.679 9.512 10.906 1.00 23.35 O ATOM 0 H SER B 50 -1.657 5.988 12.221 1.00 33.24 H new ATOM 0 HA SER B 50 -3.041 8.109 10.872 1.00 61.44 H new ATOM 0 HB2 SER B 50 -1.294 8.499 12.595 1.00 62.42 H new ATOM 0 HB3 SER B 50 -0.103 7.664 11.618 1.00 62.42 H new ATOM 0 HG SER B 50 0.038 9.971 11.391 1.00 23.35 H new ATOM 1806 N GLN B 51 -1.881 8.329 8.527 1.00 21.01 N ATOM 1807 CA GLN B 51 -1.709 8.245 7.051 1.00 73.32 C ATOM 1808 C GLN B 51 -0.377 7.557 6.605 1.00 51.50 C ATOM 1809 O GLN B 51 -0.386 6.661 5.754 1.00 72.12 O ATOM 1810 CB GLN B 51 -1.834 9.669 6.423 1.00 55.23 C ATOM 1811 CG GLN B 51 -0.862 10.723 7.007 1.00 24.45 C ATOM 1812 CD GLN B 51 -0.986 12.115 6.383 1.00 31.32 C ATOM 1813 OE1 GLN B 51 -2.050 12.526 5.938 1.00 53.54 O ATOM 1814 NE2 GLN B 51 0.106 12.856 6.358 1.00 60.02 N ATOM 0 H GLN B 51 -2.105 9.269 8.853 1.00 21.01 H new ATOM 0 HA GLN B 51 -2.507 7.602 6.681 1.00 73.32 H new ATOM 0 HB2 GLN B 51 -1.663 9.594 5.349 1.00 55.23 H new ATOM 0 HB3 GLN B 51 -2.856 10.023 6.559 1.00 55.23 H new ATOM 0 HG2 GLN B 51 -1.035 10.803 8.080 1.00 24.45 H new ATOM 0 HG3 GLN B 51 0.160 10.369 6.874 1.00 24.45 H new ATOM 0 HE21 GLN B 51 0.980 12.489 6.736 1.00 60.02 H new ATOM 0 HE22 GLN B 51 0.076 13.795 5.961 1.00 60.02 H new ATOM 1823 N VAL B 52 0.759 7.986 7.192 1.00 4.24 N ATOM 1824 CA VAL B 52 2.093 7.427 6.870 1.00 65.32 C ATOM 1825 C VAL B 52 2.280 6.020 7.501 1.00 60.41 C ATOM 1826 O VAL B 52 2.926 5.145 6.916 1.00 22.04 O ATOM 1827 CB VAL B 52 3.259 8.382 7.333 1.00 13.23 C ATOM 1828 CG1 VAL B 52 4.597 7.981 6.678 1.00 12.52 C ATOM 1829 CG2 VAL B 52 2.919 9.867 7.058 1.00 61.25 C ATOM 0 H VAL B 52 0.781 8.723 7.897 1.00 4.24 H new ATOM 0 HA VAL B 52 2.141 7.336 5.785 1.00 65.32 H new ATOM 0 HB VAL B 52 3.370 8.269 8.411 1.00 13.23 H new ATOM 0 HG11 VAL B 52 5.384 8.656 7.015 1.00 12.52 H new ATOM 0 HG12 VAL B 52 4.849 6.959 6.962 1.00 12.52 H new ATOM 0 HG13 VAL B 52 4.505 8.044 5.594 1.00 12.52 H new ATOM 0 HG21 VAL B 52 3.745 10.497 7.390 1.00 61.25 H new ATOM 0 HG22 VAL B 52 2.759 10.012 5.990 1.00 61.25 H new ATOM 0 HG23 VAL B 52 2.014 10.140 7.601 1.00 61.25 H new ATOM 1839 N GLU B 53 1.709 5.831 8.714 1.00 34.32 N ATOM 1840 CA GLU B 53 1.746 4.531 9.448 1.00 44.13 C ATOM 1841 C GLU B 53 1.050 3.420 8.622 1.00 32.04 C ATOM 1842 O GLU B 53 1.525 2.285 8.584 1.00 53.23 O ATOM 1843 CB GLU B 53 1.094 4.677 10.876 1.00 23.33 C ATOM 1844 CG GLU B 53 1.870 3.990 12.042 1.00 30.22 C ATOM 1845 CD GLU B 53 1.572 2.487 12.248 1.00 0.30 C ATOM 1846 OE1 GLU B 53 1.946 1.658 11.393 1.00 43.33 O ATOM 1847 OE2 GLU B 53 0.968 2.126 13.287 1.00 42.11 O ATOM 0 H GLU B 53 1.211 6.567 9.214 1.00 34.32 H new ATOM 0 HA GLU B 53 2.788 4.242 9.587 1.00 44.13 H new ATOM 0 HB2 GLU B 53 0.995 5.738 11.104 1.00 23.33 H new ATOM 0 HB3 GLU B 53 0.086 4.263 10.840 1.00 23.33 H new ATOM 0 HG2 GLU B 53 2.939 4.109 11.863 1.00 30.22 H new ATOM 0 HG3 GLU B 53 1.641 4.518 12.968 1.00 30.22 H new ATOM 1854 N ILE B 54 -0.059 3.781 7.939 1.00 5.14 N ATOM 1855 CA ILE B 54 -0.756 2.881 7.001 1.00 23.41 C ATOM 1856 C ILE B 54 0.204 2.418 5.879 1.00 14.42 C ATOM 1857 O ILE B 54 0.325 1.226 5.636 1.00 0.41 O ATOM 1858 CB ILE B 54 -2.037 3.566 6.374 1.00 61.41 C ATOM 1859 CG1 ILE B 54 -3.098 3.886 7.481 1.00 42.43 C ATOM 1860 CG2 ILE B 54 -2.664 2.700 5.243 1.00 60.43 C ATOM 1861 CD1 ILE B 54 -4.333 4.638 6.999 1.00 51.11 C ATOM 0 H ILE B 54 -0.492 4.701 8.024 1.00 5.14 H new ATOM 0 HA ILE B 54 -1.087 2.011 7.568 1.00 23.41 H new ATOM 0 HB ILE B 54 -1.713 4.505 5.924 1.00 61.41 H new ATOM 0 HG12 ILE B 54 -3.418 2.949 7.937 1.00 42.43 H new ATOM 0 HG13 ILE B 54 -2.617 4.473 8.263 1.00 42.43 H new ATOM 0 HG21 ILE B 54 -3.541 3.207 4.840 1.00 60.43 H new ATOM 0 HG22 ILE B 54 -1.932 2.554 4.448 1.00 60.43 H new ATOM 0 HG23 ILE B 54 -2.959 1.732 5.647 1.00 60.43 H new ATOM 0 HD11 ILE B 54 -5.005 4.811 7.840 1.00 51.11 H new ATOM 0 HD12 ILE B 54 -4.033 5.595 6.572 1.00 51.11 H new ATOM 0 HD13 ILE B 54 -4.846 4.047 6.240 1.00 51.11 H new ATOM 1873 N LEU B 55 0.909 3.380 5.243 1.00 61.53 N ATOM 1874 CA LEU B 55 1.904 3.092 4.176 1.00 35.00 C ATOM 1875 C LEU B 55 2.970 2.064 4.640 1.00 4.22 C ATOM 1876 O LEU B 55 3.190 1.048 3.981 1.00 13.32 O ATOM 1877 CB LEU B 55 2.621 4.400 3.747 1.00 75.40 C ATOM 1878 CG LEU B 55 1.741 5.497 3.086 1.00 41.44 C ATOM 1879 CD1 LEU B 55 2.549 6.794 2.837 1.00 3.13 C ATOM 1880 CD2 LEU B 55 1.118 4.977 1.777 1.00 72.21 C ATOM 0 H LEU B 55 0.808 4.374 5.450 1.00 61.53 H new ATOM 0 HA LEU B 55 1.358 2.666 3.334 1.00 35.00 H new ATOM 0 HB2 LEU B 55 3.097 4.831 4.628 1.00 75.40 H new ATOM 0 HB3 LEU B 55 3.418 4.138 3.051 1.00 75.40 H new ATOM 0 HG LEU B 55 0.934 5.740 3.777 1.00 41.44 H new ATOM 0 HD11 LEU B 55 1.904 7.541 2.374 1.00 3.13 H new ATOM 0 HD12 LEU B 55 2.924 7.177 3.786 1.00 3.13 H new ATOM 0 HD13 LEU B 55 3.388 6.579 2.176 1.00 3.13 H new ATOM 0 HD21 LEU B 55 0.506 5.760 1.329 1.00 72.21 H new ATOM 0 HD22 LEU B 55 1.910 4.695 1.084 1.00 72.21 H new ATOM 0 HD23 LEU B 55 0.496 4.107 1.990 1.00 72.21 H new ATOM 1892 N GLN B 56 3.563 2.333 5.812 1.00 23.43 N ATOM 1893 CA GLN B 56 4.647 1.512 6.405 1.00 44.21 C ATOM 1894 C GLN B 56 4.153 0.101 6.815 1.00 43.34 C ATOM 1895 O GLN B 56 4.901 -0.882 6.730 1.00 42.02 O ATOM 1896 CB GLN B 56 5.248 2.263 7.625 1.00 52.34 C ATOM 1897 CG GLN B 56 5.921 3.612 7.269 1.00 43.54 C ATOM 1898 CD GLN B 56 6.448 4.400 8.478 1.00 20.34 C ATOM 1899 OE1 GLN B 56 6.801 3.836 9.508 1.00 64.53 O ATOM 1900 NE2 GLN B 56 6.542 5.705 8.343 1.00 3.01 N ATOM 0 H GLN B 56 3.306 3.135 6.387 1.00 23.43 H new ATOM 0 HA GLN B 56 5.418 1.365 5.649 1.00 44.21 H new ATOM 0 HB2 GLN B 56 4.456 2.445 8.352 1.00 52.34 H new ATOM 0 HB3 GLN B 56 5.983 1.619 8.108 1.00 52.34 H new ATOM 0 HG2 GLN B 56 6.749 3.421 6.587 1.00 43.54 H new ATOM 0 HG3 GLN B 56 5.202 4.232 6.733 1.00 43.54 H new ATOM 0 HE21 GLN B 56 6.242 6.151 7.476 1.00 3.01 H new ATOM 0 HE22 GLN B 56 6.915 6.271 9.105 1.00 3.01 H new ATOM 1909 N ARG B 57 2.894 0.025 7.278 1.00 61.14 N ATOM 1910 CA ARG B 57 2.250 -1.243 7.700 1.00 63.30 C ATOM 1911 C ARG B 57 1.852 -2.117 6.483 1.00 52.53 C ATOM 1912 O ARG B 57 1.893 -3.353 6.553 1.00 71.22 O ATOM 1913 CB ARG B 57 1.027 -0.916 8.593 1.00 43.03 C ATOM 1914 CG ARG B 57 0.363 -2.133 9.278 1.00 34.04 C ATOM 1915 CD ARG B 57 -0.505 -1.718 10.484 1.00 61.14 C ATOM 1916 NE ARG B 57 0.294 -0.979 11.482 1.00 75.44 N ATOM 1917 CZ ARG B 57 1.004 -1.520 12.452 1.00 33.53 C ATOM 1918 NH1 ARG B 57 1.017 -2.804 12.651 1.00 24.12 N ATOM 1919 NH2 ARG B 57 1.700 -0.757 13.224 1.00 51.14 N ATOM 0 H ARG B 57 2.288 0.840 7.373 1.00 61.14 H new ATOM 0 HA ARG B 57 2.965 -1.830 8.276 1.00 63.30 H new ATOM 0 HB2 ARG B 57 1.339 -0.212 9.364 1.00 43.03 H new ATOM 0 HB3 ARG B 57 0.278 -0.410 7.984 1.00 43.03 H new ATOM 0 HG2 ARG B 57 -0.254 -2.664 8.553 1.00 34.04 H new ATOM 0 HG3 ARG B 57 1.135 -2.828 9.609 1.00 34.04 H new ATOM 0 HD2 ARG B 57 -1.333 -1.097 10.144 1.00 61.14 H new ATOM 0 HD3 ARG B 57 -0.940 -2.604 10.945 1.00 61.14 H new ATOM 0 HE ARG B 57 0.297 0.039 11.415 1.00 75.44 H new ATOM 0 HH11 ARG B 57 0.469 -3.419 12.049 1.00 24.12 H new ATOM 0 HH12 ARG B 57 1.575 -3.197 13.409 1.00 24.12 H new ATOM 0 HH21 ARG B 57 1.697 0.253 13.080 1.00 51.14 H new ATOM 0 HH22 ARG B 57 2.254 -1.163 13.978 1.00 51.14 H new ATOM 1933 N VAL B 58 1.470 -1.461 5.372 1.00 73.44 N ATOM 1934 CA VAL B 58 1.225 -2.142 4.081 1.00 34.52 C ATOM 1935 C VAL B 58 2.546 -2.707 3.504 1.00 53.33 C ATOM 1936 O VAL B 58 2.565 -3.819 2.972 1.00 20.24 O ATOM 1937 CB VAL B 58 0.527 -1.176 3.047 1.00 61.22 C ATOM 1938 CG1 VAL B 58 0.397 -1.812 1.645 1.00 53.33 C ATOM 1939 CG2 VAL B 58 -0.864 -0.733 3.557 1.00 43.35 C ATOM 0 H VAL B 58 1.323 -0.452 5.340 1.00 73.44 H new ATOM 0 HA VAL B 58 0.546 -2.975 4.264 1.00 34.52 H new ATOM 0 HB VAL B 58 1.170 -0.300 2.955 1.00 61.22 H new ATOM 0 HG11 VAL B 58 -0.090 -1.108 0.970 1.00 53.33 H new ATOM 0 HG12 VAL B 58 1.388 -2.056 1.263 1.00 53.33 H new ATOM 0 HG13 VAL B 58 -0.200 -2.722 1.712 1.00 53.33 H new ATOM 0 HG21 VAL B 58 -1.324 -0.068 2.827 1.00 43.35 H new ATOM 0 HG22 VAL B 58 -1.496 -1.610 3.698 1.00 43.35 H new ATOM 0 HG23 VAL B 58 -0.753 -0.209 4.506 1.00 43.35 H new ATOM 1949 N ILE B 59 3.652 -1.938 3.645 1.00 22.32 N ATOM 1950 CA ILE B 59 5.004 -2.408 3.270 1.00 74.10 C ATOM 1951 C ILE B 59 5.355 -3.697 4.041 1.00 5.41 C ATOM 1952 O ILE B 59 5.686 -4.713 3.434 1.00 32.34 O ATOM 1953 CB ILE B 59 6.111 -1.308 3.517 1.00 15.10 C ATOM 1954 CG1 ILE B 59 5.827 -0.029 2.665 1.00 73.31 C ATOM 1955 CG2 ILE B 59 7.536 -1.850 3.215 1.00 25.02 C ATOM 1956 CD1 ILE B 59 6.733 1.153 2.970 1.00 40.31 C ATOM 0 H ILE B 59 3.632 -0.988 4.016 1.00 22.32 H new ATOM 0 HA ILE B 59 4.987 -2.617 2.200 1.00 74.10 H new ATOM 0 HB ILE B 59 6.070 -1.041 4.573 1.00 15.10 H new ATOM 0 HG12 ILE B 59 5.927 -0.283 1.610 1.00 73.31 H new ATOM 0 HG13 ILE B 59 4.792 0.274 2.823 1.00 73.31 H new ATOM 0 HG21 ILE B 59 8.270 -1.065 3.396 1.00 25.02 H new ATOM 0 HG22 ILE B 59 7.747 -2.701 3.863 1.00 25.02 H new ATOM 0 HG23 ILE B 59 7.592 -2.165 2.173 1.00 25.02 H new ATOM 0 HD11 ILE B 59 6.462 1.994 2.331 1.00 40.31 H new ATOM 0 HD12 ILE B 59 6.618 1.440 4.015 1.00 40.31 H new ATOM 0 HD13 ILE B 59 7.770 0.874 2.783 1.00 40.31 H new ATOM 1968 N ASP B 60 5.216 -3.634 5.375 1.00 2.24 N ATOM 1969 CA ASP B 60 5.466 -4.769 6.289 1.00 14.43 C ATOM 1970 C ASP B 60 4.626 -6.031 5.915 1.00 33.13 C ATOM 1971 O ASP B 60 5.142 -7.159 5.930 1.00 31.11 O ATOM 1972 CB ASP B 60 5.155 -4.309 7.737 1.00 73.40 C ATOM 1973 CG ASP B 60 5.324 -5.413 8.794 1.00 42.22 C ATOM 1974 OD1 ASP B 60 6.478 -5.779 9.112 1.00 23.53 O ATOM 1975 OD2 ASP B 60 4.301 -5.930 9.295 1.00 1.04 O ATOM 0 H ASP B 60 4.923 -2.785 5.859 1.00 2.24 H new ATOM 0 HA ASP B 60 6.512 -5.064 6.201 1.00 14.43 H new ATOM 0 HB2 ASP B 60 5.809 -3.474 7.990 1.00 73.40 H new ATOM 0 HB3 ASP B 60 4.132 -3.936 7.777 1.00 73.40 H new ATOM 1980 N TYR B 61 3.339 -5.812 5.581 1.00 52.43 N ATOM 1981 CA TYR B 61 2.404 -6.890 5.168 1.00 14.41 C ATOM 1982 C TYR B 61 2.873 -7.603 3.874 1.00 4.25 C ATOM 1983 O TYR B 61 2.888 -8.838 3.795 1.00 35.41 O ATOM 1984 CB TYR B 61 0.978 -6.300 4.971 1.00 44.42 C ATOM 1985 CG TYR B 61 -0.064 -7.310 4.454 1.00 25.45 C ATOM 1986 CD1 TYR B 61 -0.576 -8.299 5.295 1.00 71.22 C ATOM 1987 CD2 TYR B 61 -0.515 -7.286 3.125 1.00 62.44 C ATOM 1988 CE1 TYR B 61 -1.496 -9.222 4.836 1.00 65.22 C ATOM 1989 CE2 TYR B 61 -1.438 -8.208 2.667 1.00 72.50 C ATOM 1990 CZ TYR B 61 -1.925 -9.174 3.526 1.00 33.45 C ATOM 1991 OH TYR B 61 -2.842 -10.098 3.073 1.00 23.13 O ATOM 0 H TYR B 61 2.914 -4.885 5.588 1.00 52.43 H new ATOM 0 HA TYR B 61 2.386 -7.638 5.961 1.00 14.41 H new ATOM 0 HB2 TYR B 61 0.632 -5.894 5.921 1.00 44.42 H new ATOM 0 HB3 TYR B 61 1.037 -5.467 4.271 1.00 44.42 H new ATOM 0 HD1 TYR B 61 -0.247 -8.344 6.323 1.00 71.22 H new ATOM 0 HD2 TYR B 61 -0.135 -6.535 2.449 1.00 62.44 H new ATOM 0 HE1 TYR B 61 -1.879 -9.981 5.503 1.00 65.22 H new ATOM 0 HE2 TYR B 61 -1.777 -8.173 1.642 1.00 72.50 H new ATOM 0 HH TYR B 61 -3.040 -9.926 2.129 1.00 23.13 H new ATOM 2001 N ILE B 62 3.243 -6.808 2.859 1.00 24.14 N ATOM 2002 CA ILE B 62 3.668 -7.334 1.546 1.00 22.32 C ATOM 2003 C ILE B 62 5.085 -7.983 1.618 1.00 51.12 C ATOM 2004 O ILE B 62 5.394 -8.892 0.845 1.00 24.35 O ATOM 2005 CB ILE B 62 3.598 -6.212 0.441 1.00 0.12 C ATOM 2006 CG1 ILE B 62 2.147 -5.626 0.339 1.00 52.04 C ATOM 2007 CG2 ILE B 62 4.061 -6.744 -0.935 1.00 12.42 C ATOM 2008 CD1 ILE B 62 1.979 -4.495 -0.671 1.00 74.22 C ATOM 0 H ILE B 62 3.257 -5.790 2.920 1.00 24.14 H new ATOM 0 HA ILE B 62 2.971 -8.123 1.263 1.00 22.32 H new ATOM 0 HB ILE B 62 4.278 -5.414 0.738 1.00 0.12 H new ATOM 0 HG12 ILE B 62 1.463 -6.433 0.076 1.00 52.04 H new ATOM 0 HG13 ILE B 62 1.848 -5.263 1.322 1.00 52.04 H new ATOM 0 HG21 ILE B 62 4.000 -5.945 -1.673 1.00 12.42 H new ATOM 0 HG22 ILE B 62 5.091 -7.093 -0.862 1.00 12.42 H new ATOM 0 HG23 ILE B 62 3.419 -7.570 -1.241 1.00 12.42 H new ATOM 0 HD11 ILE B 62 0.943 -4.156 -0.669 1.00 74.22 H new ATOM 0 HD12 ILE B 62 2.632 -3.666 -0.400 1.00 74.22 H new ATOM 0 HD13 ILE B 62 2.241 -4.854 -1.666 1.00 74.22 H new ATOM 2020 N LEU B 63 5.926 -7.533 2.572 1.00 12.41 N ATOM 2021 CA LEU B 63 7.234 -8.174 2.865 1.00 5.23 C ATOM 2022 C LEU B 63 7.055 -9.646 3.322 1.00 3.34 C ATOM 2023 O LEU B 63 7.877 -10.507 3.008 1.00 43.44 O ATOM 2024 CB LEU B 63 8.007 -7.365 3.941 1.00 15.14 C ATOM 2025 CG LEU B 63 8.564 -5.974 3.495 1.00 62.31 C ATOM 2026 CD1 LEU B 63 9.229 -5.238 4.679 1.00 0.32 C ATOM 2027 CD2 LEU B 63 9.537 -6.104 2.301 1.00 43.45 C ATOM 0 H LEU B 63 5.725 -6.723 3.158 1.00 12.41 H new ATOM 0 HA LEU B 63 7.815 -8.179 1.943 1.00 5.23 H new ATOM 0 HB2 LEU B 63 7.346 -7.211 4.794 1.00 15.14 H new ATOM 0 HB3 LEU B 63 8.842 -7.972 4.291 1.00 15.14 H new ATOM 0 HG LEU B 63 7.717 -5.376 3.159 1.00 62.31 H new ATOM 0 HD11 LEU B 63 9.608 -4.273 4.341 1.00 0.32 H new ATOM 0 HD12 LEU B 63 8.495 -5.083 5.470 1.00 0.32 H new ATOM 0 HD13 LEU B 63 10.054 -5.838 5.063 1.00 0.32 H new ATOM 0 HD21 LEU B 63 9.903 -5.116 2.020 1.00 43.45 H new ATOM 0 HD22 LEU B 63 10.379 -6.735 2.585 1.00 43.45 H new ATOM 0 HD23 LEU B 63 9.017 -6.552 1.455 1.00 43.45 H new ATOM 2039 N ASP B 64 5.962 -9.912 4.064 1.00 34.32 N ATOM 2040 CA ASP B 64 5.575 -11.283 4.476 1.00 44.25 C ATOM 2041 C ASP B 64 5.185 -12.158 3.244 1.00 74.52 C ATOM 2042 O ASP B 64 5.402 -13.373 3.240 1.00 22.03 O ATOM 2043 CB ASP B 64 4.404 -11.199 5.489 1.00 4.34 C ATOM 2044 CG ASP B 64 3.941 -12.565 6.030 1.00 3.21 C ATOM 2045 OD1 ASP B 64 4.662 -13.159 6.862 1.00 23.31 O ATOM 2046 OD2 ASP B 64 2.856 -13.045 5.636 1.00 31.54 O ATOM 0 H ASP B 64 5.323 -9.189 4.395 1.00 34.32 H new ATOM 0 HA ASP B 64 6.430 -11.763 4.952 1.00 44.25 H new ATOM 0 HB2 ASP B 64 4.707 -10.572 6.327 1.00 4.34 H new ATOM 0 HB3 ASP B 64 3.559 -10.704 5.011 1.00 4.34 H new ATOM 2051 N LEU B 65 4.608 -11.516 2.209 1.00 65.33 N ATOM 2052 CA LEU B 65 4.221 -12.184 0.940 1.00 75.01 C ATOM 2053 C LEU B 65 5.438 -12.392 0.001 1.00 4.33 C ATOM 2054 O LEU B 65 5.474 -13.340 -0.786 1.00 23.04 O ATOM 2055 CB LEU B 65 3.131 -11.341 0.217 1.00 20.14 C ATOM 2056 CG LEU B 65 1.839 -11.049 1.044 1.00 13.42 C ATOM 2057 CD1 LEU B 65 0.829 -10.208 0.228 1.00 33.12 C ATOM 2058 CD2 LEU B 65 1.197 -12.360 1.560 1.00 4.20 C ATOM 0 H LEU B 65 4.395 -10.519 2.224 1.00 65.33 H new ATOM 0 HA LEU B 65 3.825 -13.169 1.188 1.00 75.01 H new ATOM 0 HB2 LEU B 65 3.572 -10.390 -0.081 1.00 20.14 H new ATOM 0 HB3 LEU B 65 2.845 -11.860 -0.698 1.00 20.14 H new ATOM 0 HG LEU B 65 2.128 -10.460 1.914 1.00 13.42 H new ATOM 0 HD11 LEU B 65 -0.060 -10.021 0.831 1.00 33.12 H new ATOM 0 HD12 LEU B 65 1.286 -9.258 -0.048 1.00 33.12 H new ATOM 0 HD13 LEU B 65 0.548 -10.751 -0.674 1.00 33.12 H new ATOM 0 HD21 LEU B 65 0.300 -12.125 2.132 1.00 4.20 H new ATOM 0 HD22 LEU B 65 0.932 -12.993 0.713 1.00 4.20 H new ATOM 0 HD23 LEU B 65 1.907 -12.886 2.198 1.00 4.20 H new ATOM 2070 N GLN B 66 6.421 -11.481 0.097 1.00 21.01 N ATOM 2071 CA GLN B 66 7.644 -11.484 -0.748 1.00 60.43 C ATOM 2072 C GLN B 66 8.894 -11.913 0.072 1.00 34.01 C ATOM 2073 O GLN B 66 8.757 -12.544 1.122 1.00 70.55 O ATOM 2074 CB GLN B 66 7.832 -10.076 -1.382 1.00 43.13 C ATOM 2075 CG GLN B 66 6.645 -9.607 -2.254 1.00 42.30 C ATOM 2076 CD GLN B 66 6.893 -8.296 -3.012 1.00 71.13 C ATOM 2077 OE1 GLN B 66 7.649 -7.431 -2.581 1.00 3.41 O ATOM 2078 NE2 GLN B 66 6.232 -8.131 -4.135 1.00 12.44 N ATOM 0 H GLN B 66 6.396 -10.712 0.767 1.00 21.01 H new ATOM 0 HA GLN B 66 7.526 -12.217 -1.546 1.00 60.43 H new ATOM 0 HB2 GLN B 66 7.991 -9.350 -0.585 1.00 43.13 H new ATOM 0 HB3 GLN B 66 8.735 -10.083 -1.992 1.00 43.13 H new ATOM 0 HG2 GLN B 66 6.408 -10.390 -2.975 1.00 42.30 H new ATOM 0 HG3 GLN B 66 5.769 -9.484 -1.617 1.00 42.30 H new ATOM 0 HE21 GLN B 66 5.609 -8.865 -4.473 1.00 12.44 H new ATOM 0 HE22 GLN B 66 6.341 -7.269 -4.669 1.00 12.44 H new ATOM 2087 N VAL B 67 10.108 -11.602 -0.438 1.00 1.12 N ATOM 2088 CA VAL B 67 11.386 -12.004 0.199 1.00 71.42 C ATOM 2089 C VAL B 67 11.954 -10.899 1.135 1.00 2.14 C ATOM 2090 O VAL B 67 12.223 -9.774 0.690 1.00 74.51 O ATOM 2091 CB VAL B 67 12.461 -12.365 -0.906 1.00 41.42 C ATOM 2092 CG1 VAL B 67 13.825 -12.763 -0.291 1.00 65.01 C ATOM 2093 CG2 VAL B 67 11.935 -13.475 -1.849 1.00 71.12 C ATOM 0 H VAL B 67 10.230 -11.068 -1.298 1.00 1.12 H new ATOM 0 HA VAL B 67 11.173 -12.881 0.811 1.00 71.42 H new ATOM 0 HB VAL B 67 12.628 -11.463 -1.494 1.00 41.42 H new ATOM 0 HG11 VAL B 67 14.528 -13.001 -1.089 1.00 65.01 H new ATOM 0 HG12 VAL B 67 14.214 -11.933 0.299 1.00 65.01 H new ATOM 0 HG13 VAL B 67 13.695 -13.635 0.350 1.00 65.01 H new ATOM 0 HG21 VAL B 67 12.692 -13.704 -2.599 1.00 71.12 H new ATOM 0 HG22 VAL B 67 11.715 -14.371 -1.269 1.00 71.12 H new ATOM 0 HG23 VAL B 67 11.027 -13.132 -2.344 1.00 71.12 H new ATOM 2103 N VAL B 68 12.125 -11.240 2.432 1.00 62.43 N ATOM 2104 CA VAL B 68 12.886 -10.409 3.406 1.00 73.10 C ATOM 2105 C VAL B 68 14.319 -11.006 3.600 1.00 70.23 C ATOM 2106 O VAL B 68 14.436 -12.094 4.214 1.00 37.09 O ATOM 2107 CB VAL B 68 12.148 -10.315 4.804 1.00 62.12 C ATOM 2108 CG1 VAL B 68 12.927 -9.421 5.804 1.00 62.12 C ATOM 2109 CG2 VAL B 68 10.695 -9.819 4.640 1.00 54.22 C ATOM 2110 OXT VAL B 68 15.307 -10.407 3.126 1.00 37.09 O ATOM 0 H VAL B 68 11.743 -12.095 2.837 1.00 62.43 H new ATOM 0 HA VAL B 68 12.956 -9.399 3.001 1.00 73.10 H new ATOM 0 HB VAL B 68 12.115 -11.323 5.218 1.00 62.12 H new ATOM 0 HG11 VAL B 68 12.389 -9.381 6.751 1.00 62.12 H new ATOM 0 HG12 VAL B 68 13.920 -9.839 5.968 1.00 62.12 H new ATOM 0 HG13 VAL B 68 13.019 -8.414 5.396 1.00 62.12 H new ATOM 0 HG21 VAL B 68 10.216 -9.766 5.618 1.00 54.22 H new ATOM 0 HG22 VAL B 68 10.698 -8.830 4.183 1.00 54.22 H new ATOM 0 HG23 VAL B 68 10.144 -10.511 4.004 1.00 54.22 H new TER 2120 VAL B 68