USER MOD reduce.3.24.130724 H: found=0, std=0, add=1288, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 1286 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 26 THR OG1 : rot 180:sc= -1.02 USER MOD Set 1.2: B 29 GLN : amide:sc= 0 X(o=-1,f=-1.4) USER MOD Set 2.1: A 26 THR OG1 : rot -74:sc= 0.767 USER MOD Set 2.2: A 29 GLN : amide:sc= 0.314 K(o=1.1,f=-0.72) USER MOD Single : A 1 MET CE :methyl 133:sc= -0.158 (180deg=-0.627) USER MOD Single : A 1 MET N :NH3+ -179:sc= 0.735 (180deg=0.734) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 MET CE :methyl 167:sc= -0.0376 (180deg=-0.298) USER MOD Single : A 5 LYS NZ :NH3+ -126:sc= 0.88 (180deg=-0.14) USER MOD Single : A 7 LYS NZ :NH3+ 174:sc= -2.48! (180deg=-2.62!) USER MOD Single : A 14 GLN : amide:sc= -0.784 K(o=-0.78,f=-3.8!) USER MOD Single : A 20 ASN : amide:sc= -0.293 K(o=-0.29,f=-1.4) USER MOD Single : A 22 THR OG1 : rot -65:sc= 1.22 USER MOD Single : A 27 GLN : amide:sc= 0.0991 X(o=0.099,f=-0.39) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ -119:sc= 0.348 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0359) USER MOD Single : A 34 THR OG1 : rot -75:sc= 1.12 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ 157:sc= -1.39 (180deg=-2.01!) USER MOD Single : A 54 LYS NZ :NH3+ -172:sc= -1.57! (180deg=-1.96!) USER MOD Single : A 57 THR OG1 : rot 180:sc= -0.0107 USER MOD Single : A 58 SER OG : rot 180:sc= -0.089 USER MOD Single : A 67 LYS NZ :NH3+ -112:sc= -0.135 (180deg=-2.55!) USER MOD Single : A 72 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 73 HIS : no HD1:sc= 0 X(o=0,f=-0.0049) USER MOD Single : A 74 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 75 HIS : no HE2:sc= 0.349 K(o=0.35,f=-1.8!) USER MOD Single : A 76 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 77 HIS : no HD1:sc= 0 X(o=0,f=-0.014) USER MOD Single : B 1 MET CE :methyl -165:sc= -0.0701 (180deg=-0.382) USER MOD Single : B 1 MET N :NH3+ -126:sc= -1.26 (180deg=-4.68!) USER MOD Single : B 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 3 MET CE :methyl -170:sc=-0.00465 (180deg=-0.157) USER MOD Single : B 5 LYS NZ :NH3+ -155:sc= 0.657 (180deg=0.282) USER MOD Single : B 7 LYS NZ :NH3+ -137:sc= 0.805 (180deg=-0.771) USER MOD Single : B 14 GLN : amide:sc=-0.00947 K(o=-0.0095,f=-0.59) USER MOD Single : B 20 ASN : amide:sc= 0 X(o=0,f=-0.22) USER MOD Single : B 22 THR OG1 : rot 180:sc= 0 USER MOD Single : B 27 GLN : amide:sc= -1.11 X(o=-1.1,f=-1.3) USER MOD Single : B 28 LYS NZ :NH3+ 173:sc=-0.000774 (180deg=-0.0474) USER MOD Single : B 31 LYS NZ :NH3+ -141:sc= 0.316 (180deg=-2.28!) USER MOD Single : B 32 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.117) USER MOD Single : B 34 THR OG1 : rot -74:sc= -0.377 USER MOD Single : B 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 37 LYS NZ :NH3+ -106:sc= -0.402 (180deg=-2.31!) USER MOD Single : B 40 LYS NZ :NH3+ -123:sc= 0.599 (180deg=-0.765) USER MOD Single : B 54 LYS NZ :NH3+ -127:sc= -0.495 (180deg=-1.36!) USER MOD Single : B 57 THR OG1 : rot 180:sc= -0.0046 USER MOD Single : B 58 SER OG : rot 180:sc= 0 USER MOD Single : B 67 LYS NZ :NH3+ -108:sc= -0.728 (180deg=-3.06!) USER MOD Single : B 72 HIS : no HD1:sc= 0 X(o=0,f=-0.034) USER MOD Single : B 73 HIS : no HE2:sc= 0.307 K(o=0.31,f=-1.4) USER MOD Single : B 74 HIS : no HD1:sc= -0.205 X(o=-0.2,f=-0.21) USER MOD Single : B 75 HIS : no HD1:sc= -1.26 K(o=-1.3,f=-0.089) USER MOD Single : B 76 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 77 HIS : no HD1:sc= -0.0117 X(o=-0.012,f=-0.0098) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 14.804 11.524 6.113 1.00 4.32 N ATOM 2 CA MET A 1 14.009 12.259 5.085 1.00 23.25 C ATOM 3 C MET A 1 12.898 13.108 5.742 1.00 61.24 C ATOM 4 O MET A 1 12.649 12.988 6.938 1.00 25.03 O ATOM 5 CB MET A 1 13.385 11.275 4.057 1.00 34.53 C ATOM 6 CG MET A 1 14.399 10.440 3.262 1.00 60.32 C ATOM 7 SD MET A 1 13.625 9.465 1.950 1.00 53.41 S ATOM 8 CE MET A 1 12.980 10.750 0.871 1.00 50.12 C ATOM 0 H1 MET A 1 15.554 10.975 5.645 1.00 4.32 H new ATOM 0 H2 MET A 1 15.233 12.205 6.772 1.00 4.32 H new ATOM 0 H3 MET A 1 14.180 10.879 6.639 1.00 4.32 H new ATOM 0 HA MET A 1 14.692 12.927 4.560 1.00 23.25 H new ATOM 0 HB2 MET A 1 12.714 10.598 4.586 1.00 34.53 H new ATOM 0 HB3 MET A 1 12.776 11.844 3.355 1.00 34.53 H new ATOM 0 HG2 MET A 1 15.145 11.103 2.824 1.00 60.32 H new ATOM 0 HG3 MET A 1 14.926 9.772 3.943 1.00 60.32 H new ATOM 0 HE1 MET A 1 13.242 10.523 -0.162 1.00 50.12 H new ATOM 0 HE2 MET A 1 11.895 10.797 0.969 1.00 50.12 H new ATOM 0 HE3 MET A 1 13.411 11.711 1.152 1.00 50.12 H new ATOM 20 N LYS A 2 12.238 13.973 4.945 1.00 75.41 N ATOM 21 CA LYS A 2 11.077 14.783 5.408 1.00 73.52 C ATOM 22 C LYS A 2 9.781 14.413 4.635 1.00 52.32 C ATOM 23 O LYS A 2 8.674 14.758 5.060 1.00 54.52 O ATOM 24 CB LYS A 2 11.376 16.297 5.234 1.00 73.33 C ATOM 25 CG LYS A 2 11.602 16.746 3.769 1.00 41.30 C ATOM 26 CD LYS A 2 11.709 18.280 3.625 1.00 11.21 C ATOM 27 CE LYS A 2 11.863 18.724 2.161 1.00 4.31 C ATOM 28 NZ LYS A 2 11.896 20.203 2.027 1.00 73.23 N ATOM 0 H LYS A 2 12.487 14.134 3.969 1.00 75.41 H new ATOM 0 HA LYS A 2 10.919 14.562 6.464 1.00 73.52 H new ATOM 0 HB2 LYS A 2 10.546 16.868 5.651 1.00 73.33 H new ATOM 0 HB3 LYS A 2 12.261 16.548 5.818 1.00 73.33 H new ATOM 0 HG2 LYS A 2 12.514 16.285 3.389 1.00 41.30 H new ATOM 0 HG3 LYS A 2 10.780 16.384 3.151 1.00 41.30 H new ATOM 0 HD2 LYS A 2 10.820 18.745 4.051 1.00 11.21 H new ATOM 0 HD3 LYS A 2 12.562 18.637 4.201 1.00 11.21 H new ATOM 0 HE2 LYS A 2 12.780 18.302 1.749 1.00 4.31 H new ATOM 0 HE3 LYS A 2 11.037 18.325 1.573 1.00 4.31 H new ATOM 0 HZ1 LYS A 2 12.001 20.458 1.024 1.00 73.23 H new ATOM 0 HZ2 LYS A 2 11.011 20.605 2.396 1.00 73.23 H new ATOM 0 HZ3 LYS A 2 12.700 20.583 2.567 1.00 73.23 H new ATOM 42 N MET A 3 9.939 13.726 3.485 1.00 53.45 N ATOM 43 CA MET A 3 8.817 13.376 2.573 1.00 75.25 C ATOM 44 C MET A 3 7.914 12.247 3.137 1.00 41.12 C ATOM 45 O MET A 3 8.235 11.629 4.152 1.00 14.21 O ATOM 46 CB MET A 3 9.386 12.977 1.184 1.00 74.31 C ATOM 47 CG MET A 3 10.217 14.077 0.493 1.00 64.13 C ATOM 48 SD MET A 3 10.966 13.531 -1.060 1.00 72.35 S ATOM 49 CE MET A 3 9.522 13.140 -2.050 1.00 51.50 C ATOM 0 H MET A 3 10.847 13.395 3.157 1.00 53.45 H new ATOM 0 HA MET A 3 8.183 14.257 2.476 1.00 75.25 H new ATOM 0 HB2 MET A 3 10.008 12.090 1.302 1.00 74.31 H new ATOM 0 HB3 MET A 3 8.557 12.702 0.532 1.00 74.31 H new ATOM 0 HG2 MET A 3 9.578 14.938 0.298 1.00 64.13 H new ATOM 0 HG3 MET A 3 11.003 14.410 1.171 1.00 64.13 H new ATOM 0 HE1 MET A 3 9.818 13.015 -3.092 1.00 51.50 H new ATOM 0 HE2 MET A 3 9.072 12.216 -1.687 1.00 51.50 H new ATOM 0 HE3 MET A 3 8.798 13.951 -1.973 1.00 51.50 H new ATOM 59 N LEU A 4 6.781 11.981 2.449 1.00 32.45 N ATOM 60 CA LEU A 4 5.790 10.944 2.868 1.00 14.05 C ATOM 61 C LEU A 4 6.383 9.501 2.880 1.00 11.03 C ATOM 62 O LEU A 4 5.768 8.584 3.433 1.00 72.42 O ATOM 63 CB LEU A 4 4.499 11.000 1.993 1.00 52.12 C ATOM 64 CG LEU A 4 3.575 12.261 2.183 1.00 45.04 C ATOM 65 CD1 LEU A 4 4.195 13.545 1.585 1.00 3.24 C ATOM 66 CD2 LEU A 4 2.157 12.011 1.615 1.00 4.32 C ATOM 0 H LEU A 4 6.522 12.471 1.593 1.00 32.45 H new ATOM 0 HA LEU A 4 5.523 11.185 3.897 1.00 14.05 H new ATOM 0 HB2 LEU A 4 4.795 10.949 0.945 1.00 52.12 H new ATOM 0 HB3 LEU A 4 3.907 10.109 2.201 1.00 52.12 H new ATOM 0 HG LEU A 4 3.487 12.423 3.257 1.00 45.04 H new ATOM 0 HD11 LEU A 4 3.517 14.384 1.743 1.00 3.24 H new ATOM 0 HD12 LEU A 4 5.147 13.751 2.073 1.00 3.24 H new ATOM 0 HD13 LEU A 4 4.358 13.407 0.516 1.00 3.24 H new ATOM 0 HD21 LEU A 4 1.544 12.900 1.762 1.00 4.32 H new ATOM 0 HD22 LEU A 4 2.226 11.789 0.550 1.00 4.32 H new ATOM 0 HD23 LEU A 4 1.701 11.167 2.133 1.00 4.32 H new ATOM 78 N LYS A 5 7.568 9.317 2.259 1.00 74.03 N ATOM 79 CA LYS A 5 8.378 8.075 2.381 1.00 35.11 C ATOM 80 C LYS A 5 8.800 7.819 3.853 1.00 64.42 C ATOM 81 O LYS A 5 8.782 6.683 4.334 1.00 31.40 O ATOM 82 CB LYS A 5 9.653 8.185 1.503 1.00 64.25 C ATOM 83 CG LYS A 5 9.417 8.266 -0.019 1.00 72.44 C ATOM 84 CD LYS A 5 8.801 6.969 -0.608 1.00 72.12 C ATOM 85 CE LYS A 5 8.976 6.863 -2.132 1.00 41.20 C ATOM 86 NZ LYS A 5 10.402 6.746 -2.522 1.00 43.20 N ATOM 0 H LYS A 5 7.994 10.022 1.658 1.00 74.03 H new ATOM 0 HA LYS A 5 7.761 7.242 2.043 1.00 35.11 H new ATOM 0 HB2 LYS A 5 10.209 9.070 1.813 1.00 64.25 H new ATOM 0 HB3 LYS A 5 10.287 7.322 1.708 1.00 64.25 H new ATOM 0 HG2 LYS A 5 8.756 9.106 -0.234 1.00 72.44 H new ATOM 0 HG3 LYS A 5 10.365 8.470 -0.517 1.00 72.44 H new ATOM 0 HD2 LYS A 5 9.264 6.104 -0.133 1.00 72.12 H new ATOM 0 HD3 LYS A 5 7.739 6.935 -0.366 1.00 72.12 H new ATOM 0 HE2 LYS A 5 8.427 5.996 -2.500 1.00 41.20 H new ATOM 0 HE3 LYS A 5 8.541 7.741 -2.609 1.00 41.20 H new ATOM 0 HZ1 LYS A 5 10.633 7.484 -3.217 1.00 43.20 H new ATOM 0 HZ2 LYS A 5 11.003 6.862 -1.681 1.00 43.20 H new ATOM 0 HZ3 LYS A 5 10.571 5.810 -2.942 1.00 43.20 H new ATOM 100 N GLU A 6 9.189 8.907 4.535 1.00 35.53 N ATOM 101 CA GLU A 6 9.605 8.893 5.956 1.00 21.55 C ATOM 102 C GLU A 6 8.410 8.578 6.899 1.00 73.03 C ATOM 103 O GLU A 6 8.564 7.861 7.896 1.00 45.31 O ATOM 104 CB GLU A 6 10.241 10.269 6.313 1.00 63.21 C ATOM 105 CG GLU A 6 10.778 10.409 7.753 1.00 65.31 C ATOM 106 CD GLU A 6 11.921 9.433 8.087 1.00 5.22 C ATOM 107 OE1 GLU A 6 13.071 9.679 7.658 1.00 43.10 O ATOM 108 OE2 GLU A 6 11.676 8.415 8.769 1.00 73.04 O ATOM 0 H GLU A 6 9.226 9.836 4.115 1.00 35.53 H new ATOM 0 HA GLU A 6 10.341 8.101 6.098 1.00 21.55 H new ATOM 0 HB2 GLU A 6 11.060 10.460 5.620 1.00 63.21 H new ATOM 0 HB3 GLU A 6 9.495 11.046 6.147 1.00 63.21 H new ATOM 0 HG2 GLU A 6 11.129 11.430 7.902 1.00 65.31 H new ATOM 0 HG3 GLU A 6 9.959 10.248 8.454 1.00 65.31 H new ATOM 115 N LYS A 7 7.226 9.127 6.557 1.00 54.40 N ATOM 116 CA LYS A 7 5.968 8.909 7.315 1.00 33.14 C ATOM 117 C LYS A 7 5.535 7.420 7.201 1.00 23.52 C ATOM 118 O LYS A 7 5.272 6.758 8.209 1.00 43.14 O ATOM 119 CB LYS A 7 4.867 9.892 6.778 1.00 0.44 C ATOM 120 CG LYS A 7 3.716 10.254 7.763 1.00 51.35 C ATOM 121 CD LYS A 7 2.711 9.105 8.033 1.00 12.42 C ATOM 122 CE LYS A 7 1.563 9.529 8.968 1.00 24.53 C ATOM 123 NZ LYS A 7 0.625 8.405 9.253 1.00 25.12 N ATOM 0 H LYS A 7 7.111 9.736 5.747 1.00 54.40 H new ATOM 0 HA LYS A 7 6.119 9.120 8.374 1.00 33.14 H new ATOM 0 HB2 LYS A 7 5.356 10.816 6.471 1.00 0.44 H new ATOM 0 HB3 LYS A 7 4.425 9.453 5.884 1.00 0.44 H new ATOM 0 HG2 LYS A 7 4.152 10.567 8.711 1.00 51.35 H new ATOM 0 HG3 LYS A 7 3.171 11.110 7.365 1.00 51.35 H new ATOM 0 HD2 LYS A 7 2.295 8.761 7.086 1.00 12.42 H new ATOM 0 HD3 LYS A 7 3.240 8.260 8.474 1.00 12.42 H new ATOM 0 HE2 LYS A 7 1.978 9.900 9.905 1.00 24.53 H new ATOM 0 HE3 LYS A 7 1.013 10.353 8.514 1.00 24.53 H new ATOM 0 HZ1 LYS A 7 -0.072 8.706 9.964 1.00 25.12 H new ATOM 0 HZ2 LYS A 7 0.132 8.134 8.378 1.00 25.12 H new ATOM 0 HZ3 LYS A 7 1.160 7.590 9.616 1.00 25.12 H new ATOM 137 N ALA A 8 5.494 6.918 5.950 1.00 0.20 N ATOM 138 CA ALA A 8 5.194 5.497 5.638 1.00 3.20 C ATOM 139 C ALA A 8 6.239 4.534 6.259 1.00 64.22 C ATOM 140 O ALA A 8 5.905 3.415 6.655 1.00 45.24 O ATOM 141 CB ALA A 8 5.119 5.299 4.116 1.00 3.53 C ATOM 0 H ALA A 8 5.668 7.486 5.121 1.00 0.20 H new ATOM 0 HA ALA A 8 4.228 5.255 6.082 1.00 3.20 H new ATOM 0 HB1 ALA A 8 4.899 4.255 3.895 1.00 3.53 H new ATOM 0 HB2 ALA A 8 4.331 5.931 3.705 1.00 3.53 H new ATOM 0 HB3 ALA A 8 6.074 5.571 3.666 1.00 3.53 H new ATOM 147 N GLY A 9 7.506 4.995 6.323 1.00 3.44 N ATOM 148 CA GLY A 9 8.591 4.257 6.990 1.00 61.23 C ATOM 149 C GLY A 9 8.449 4.165 8.524 1.00 25.33 C ATOM 150 O GLY A 9 8.871 3.173 9.134 1.00 60.41 O ATOM 0 H GLY A 9 7.801 5.883 5.916 1.00 3.44 H new ATOM 0 HA2 GLY A 9 8.633 3.248 6.580 1.00 61.23 H new ATOM 0 HA3 GLY A 9 9.540 4.738 6.753 1.00 61.23 H new ATOM 154 N ALA A 10 7.866 5.208 9.148 1.00 52.12 N ATOM 155 CA ALA A 10 7.557 5.218 10.601 1.00 4.31 C ATOM 156 C ALA A 10 6.383 4.262 10.929 1.00 65.20 C ATOM 157 O ALA A 10 6.384 3.569 11.959 1.00 33.03 O ATOM 158 CB ALA A 10 7.226 6.647 11.055 1.00 62.43 C ATOM 0 H ALA A 10 7.595 6.065 8.666 1.00 52.12 H new ATOM 0 HA ALA A 10 8.436 4.866 11.141 1.00 4.31 H new ATOM 0 HB1 ALA A 10 7.000 6.647 12.121 1.00 62.43 H new ATOM 0 HB2 ALA A 10 8.081 7.296 10.865 1.00 62.43 H new ATOM 0 HB3 ALA A 10 6.362 7.014 10.501 1.00 62.43 H new ATOM 164 N LEU A 11 5.384 4.247 10.024 1.00 12.31 N ATOM 165 CA LEU A 11 4.251 3.296 10.063 1.00 1.15 C ATOM 166 C LEU A 11 4.742 1.842 9.862 1.00 52.12 C ATOM 167 O LEU A 11 4.218 0.909 10.462 1.00 41.44 O ATOM 168 CB LEU A 11 3.219 3.673 8.970 1.00 62.14 C ATOM 169 CG LEU A 11 2.554 5.078 9.116 1.00 1.31 C ATOM 170 CD1 LEU A 11 1.766 5.456 7.845 1.00 63.04 C ATOM 171 CD2 LEU A 11 1.658 5.145 10.377 1.00 75.41 C ATOM 0 H LEU A 11 5.339 4.898 9.240 1.00 12.31 H new ATOM 0 HA LEU A 11 3.777 3.357 11.043 1.00 1.15 H new ATOM 0 HB2 LEU A 11 3.713 3.625 7.999 1.00 62.14 H new ATOM 0 HB3 LEU A 11 2.432 2.919 8.965 1.00 62.14 H new ATOM 0 HG LEU A 11 3.350 5.812 9.240 1.00 1.31 H new ATOM 0 HD11 LEU A 11 1.314 6.439 7.976 1.00 63.04 H new ATOM 0 HD12 LEU A 11 2.443 5.479 6.991 1.00 63.04 H new ATOM 0 HD13 LEU A 11 0.984 4.718 7.669 1.00 63.04 H new ATOM 0 HD21 LEU A 11 1.209 6.135 10.452 1.00 75.41 H new ATOM 0 HD22 LEU A 11 0.871 4.394 10.305 1.00 75.41 H new ATOM 0 HD23 LEU A 11 2.262 4.953 11.263 1.00 75.41 H new ATOM 183 N ALA A 12 5.759 1.680 9.006 1.00 52.01 N ATOM 184 CA ALA A 12 6.395 0.375 8.735 1.00 72.14 C ATOM 185 C ALA A 12 7.082 -0.217 9.982 1.00 24.22 C ATOM 186 O ALA A 12 6.913 -1.402 10.287 1.00 42.23 O ATOM 187 CB ALA A 12 7.418 0.520 7.609 1.00 73.41 C ATOM 0 H ALA A 12 6.169 2.450 8.478 1.00 52.01 H new ATOM 0 HA ALA A 12 5.603 -0.313 8.439 1.00 72.14 H new ATOM 0 HB1 ALA A 12 7.884 -0.446 7.414 1.00 73.41 H new ATOM 0 HB2 ALA A 12 6.918 0.871 6.706 1.00 73.41 H new ATOM 0 HB3 ALA A 12 8.183 1.239 7.903 1.00 73.41 H new ATOM 193 N GLY A 13 7.855 0.634 10.679 1.00 30.22 N ATOM 194 CA GLY A 13 8.626 0.224 11.861 1.00 10.12 C ATOM 195 C GLY A 13 7.770 -0.343 13.002 1.00 15.31 C ATOM 196 O GLY A 13 8.073 -1.405 13.538 1.00 32.42 O ATOM 0 H GLY A 13 7.961 1.620 10.439 1.00 30.22 H new ATOM 0 HA2 GLY A 13 9.357 -0.527 11.562 1.00 10.12 H new ATOM 0 HA3 GLY A 13 9.185 1.083 12.233 1.00 10.12 H new ATOM 200 N GLN A 14 6.690 0.373 13.348 1.00 32.42 N ATOM 201 CA GLN A 14 5.766 -0.021 14.442 1.00 53.51 C ATOM 202 C GLN A 14 4.972 -1.322 14.111 1.00 34.04 C ATOM 203 O GLN A 14 4.700 -2.126 15.005 1.00 54.14 O ATOM 204 CB GLN A 14 4.799 1.150 14.753 1.00 64.42 C ATOM 205 CG GLN A 14 3.912 1.568 13.566 1.00 25.53 C ATOM 206 CD GLN A 14 3.088 2.820 13.830 1.00 1.35 C ATOM 207 OE1 GLN A 14 1.970 2.752 14.318 1.00 10.44 O ATOM 208 NE2 GLN A 14 3.628 3.976 13.508 1.00 60.15 N ATOM 0 H GLN A 14 6.426 1.242 12.883 1.00 32.42 H new ATOM 0 HA GLN A 14 6.368 -0.241 15.324 1.00 53.51 H new ATOM 0 HB2 GLN A 14 4.159 0.866 15.588 1.00 64.42 H new ATOM 0 HB3 GLN A 14 5.382 2.012 15.077 1.00 64.42 H new ATOM 0 HG2 GLN A 14 4.543 1.736 12.694 1.00 25.53 H new ATOM 0 HG3 GLN A 14 3.240 0.746 13.319 1.00 25.53 H new ATOM 0 HE21 GLN A 14 4.563 4.007 13.102 1.00 60.15 H new ATOM 0 HE22 GLN A 14 3.111 4.841 13.665 1.00 60.15 H new ATOM 217 N ILE A 15 4.600 -1.507 12.822 1.00 2.45 N ATOM 218 CA ILE A 15 3.867 -2.711 12.348 1.00 12.10 C ATOM 219 C ILE A 15 4.797 -3.956 12.312 1.00 74.12 C ATOM 220 O ILE A 15 4.408 -5.044 12.742 1.00 55.23 O ATOM 221 CB ILE A 15 3.201 -2.449 10.932 1.00 11.23 C ATOM 222 CG1 ILE A 15 2.106 -1.332 11.051 1.00 33.04 C ATOM 223 CG2 ILE A 15 2.608 -3.743 10.309 1.00 44.53 C ATOM 224 CD1 ILE A 15 1.398 -0.967 9.750 1.00 43.52 C ATOM 0 H ILE A 15 4.797 -0.832 12.083 1.00 2.45 H new ATOM 0 HA ILE A 15 3.067 -2.918 13.059 1.00 12.10 H new ATOM 0 HB ILE A 15 3.986 -2.109 10.257 1.00 11.23 H new ATOM 0 HG12 ILE A 15 1.357 -1.657 11.773 1.00 33.04 H new ATOM 0 HG13 ILE A 15 2.571 -0.433 11.456 1.00 33.04 H new ATOM 0 HG21 ILE A 15 2.164 -3.510 9.341 1.00 44.53 H new ATOM 0 HG22 ILE A 15 3.401 -4.480 10.177 1.00 44.53 H new ATOM 0 HG23 ILE A 15 1.843 -4.148 10.971 1.00 44.53 H new ATOM 0 HD11 ILE A 15 0.662 -0.187 9.943 1.00 43.52 H new ATOM 0 HD12 ILE A 15 2.129 -0.605 9.027 1.00 43.52 H new ATOM 0 HD13 ILE A 15 0.897 -1.848 9.349 1.00 43.52 H new ATOM 236 N TRP A 16 6.042 -3.760 11.833 1.00 11.21 N ATOM 237 CA TRP A 16 7.065 -4.833 11.761 1.00 11.34 C ATOM 238 C TRP A 16 7.447 -5.315 13.189 1.00 43.51 C ATOM 239 O TRP A 16 7.438 -6.510 13.479 1.00 61.51 O ATOM 240 CB TRP A 16 8.323 -4.321 10.991 1.00 62.23 C ATOM 241 CG TRP A 16 9.326 -5.406 10.629 1.00 35.41 C ATOM 242 CD1 TRP A 16 9.336 -6.168 9.487 1.00 55.04 C ATOM 243 CD2 TRP A 16 10.456 -5.849 11.408 1.00 73.01 C ATOM 244 NE1 TRP A 16 10.384 -7.054 9.519 1.00 72.43 N ATOM 245 CE2 TRP A 16 11.085 -6.879 10.684 1.00 31.11 C ATOM 246 CE3 TRP A 16 10.991 -5.476 12.650 1.00 41.14 C ATOM 247 CZ2 TRP A 16 12.220 -7.538 11.156 1.00 45.42 C ATOM 248 CZ3 TRP A 16 12.116 -6.129 13.118 1.00 52.34 C ATOM 249 CH2 TRP A 16 12.719 -7.155 12.373 1.00 24.22 C ATOM 0 H TRP A 16 6.370 -2.859 11.486 1.00 11.21 H new ATOM 0 HA TRP A 16 6.650 -5.682 11.218 1.00 11.34 H new ATOM 0 HB2 TRP A 16 7.997 -3.826 10.076 1.00 62.23 H new ATOM 0 HB3 TRP A 16 8.825 -3.569 11.600 1.00 62.23 H new ATOM 0 HD1 TRP A 16 8.623 -6.083 8.680 1.00 55.04 H new ATOM 0 HE1 TRP A 16 10.606 -7.734 8.792 1.00 72.43 H new ATOM 0 HE3 TRP A 16 10.531 -4.691 13.232 1.00 41.14 H new ATOM 0 HZ2 TRP A 16 12.689 -8.323 10.582 1.00 45.42 H new ATOM 0 HZ3 TRP A 16 12.537 -5.846 14.071 1.00 52.34 H new ATOM 0 HH2 TRP A 16 13.593 -7.652 12.767 1.00 24.22 H new ATOM 260 N GLU A 17 7.751 -4.352 14.083 1.00 54.22 N ATOM 261 CA GLU A 17 8.115 -4.630 15.497 1.00 73.40 C ATOM 262 C GLU A 17 6.920 -5.172 16.324 1.00 75.23 C ATOM 263 O GLU A 17 7.125 -5.796 17.363 1.00 73.40 O ATOM 264 CB GLU A 17 8.744 -3.381 16.169 1.00 30.21 C ATOM 265 CG GLU A 17 10.101 -2.958 15.570 1.00 45.34 C ATOM 266 CD GLU A 17 10.733 -1.760 16.299 1.00 24.13 C ATOM 267 OE1 GLU A 17 10.275 -0.617 16.091 1.00 55.03 O ATOM 268 OE2 GLU A 17 11.668 -1.958 17.109 1.00 11.44 O ATOM 0 H GLU A 17 7.753 -3.359 13.850 1.00 54.22 H new ATOM 0 HA GLU A 17 8.865 -5.420 15.479 1.00 73.40 H new ATOM 0 HB2 GLU A 17 8.047 -2.547 16.086 1.00 30.21 H new ATOM 0 HB3 GLU A 17 8.875 -3.582 17.232 1.00 30.21 H new ATOM 0 HG2 GLU A 17 10.788 -3.803 15.609 1.00 45.34 H new ATOM 0 HG3 GLU A 17 9.965 -2.706 14.518 1.00 45.34 H new ATOM 275 N ALA A 18 5.677 -4.895 15.893 1.00 3.10 N ATOM 276 CA ALA A 18 4.473 -5.524 16.497 1.00 34.41 C ATOM 277 C ALA A 18 4.460 -7.066 16.273 1.00 61.13 C ATOM 278 O ALA A 18 4.009 -7.824 17.138 1.00 62.13 O ATOM 279 CB ALA A 18 3.192 -4.877 15.930 1.00 61.03 C ATOM 0 H ALA A 18 5.473 -4.245 15.134 1.00 3.10 H new ATOM 0 HA ALA A 18 4.507 -5.351 17.573 1.00 34.41 H new ATOM 0 HB1 ALA A 18 2.317 -5.346 16.380 1.00 61.03 H new ATOM 0 HB2 ALA A 18 3.190 -3.811 16.159 1.00 61.03 H new ATOM 0 HB3 ALA A 18 3.162 -5.015 14.849 1.00 61.03 H new ATOM 285 N LEU A 19 4.972 -7.519 15.100 1.00 60.23 N ATOM 286 CA LEU A 19 4.980 -8.961 14.709 1.00 73.13 C ATOM 287 C LEU A 19 6.361 -9.659 14.883 1.00 63.42 C ATOM 288 O LEU A 19 6.433 -10.883 14.710 1.00 73.24 O ATOM 289 CB LEU A 19 4.503 -9.146 13.228 1.00 22.45 C ATOM 290 CG LEU A 19 2.975 -8.978 12.940 1.00 10.13 C ATOM 291 CD1 LEU A 19 2.491 -7.539 13.160 1.00 55.12 C ATOM 292 CD2 LEU A 19 2.619 -9.462 11.516 1.00 73.00 C ATOM 0 H LEU A 19 5.389 -6.904 14.401 1.00 60.23 H new ATOM 0 HA LEU A 19 4.285 -9.441 15.398 1.00 73.13 H new ATOM 0 HB2 LEU A 19 5.044 -8.431 12.608 1.00 22.45 H new ATOM 0 HB3 LEU A 19 4.801 -10.142 12.900 1.00 22.45 H new ATOM 0 HG LEU A 19 2.452 -9.606 13.661 1.00 10.13 H new ATOM 0 HD11 LEU A 19 1.424 -7.477 12.946 1.00 55.12 H new ATOM 0 HD12 LEU A 19 2.671 -7.249 14.195 1.00 55.12 H new ATOM 0 HD13 LEU A 19 3.034 -6.867 12.495 1.00 55.12 H new ATOM 0 HD21 LEU A 19 1.550 -9.333 11.344 1.00 73.00 H new ATOM 0 HD22 LEU A 19 3.177 -8.879 10.783 1.00 73.00 H new ATOM 0 HD23 LEU A 19 2.878 -10.516 11.415 1.00 73.00 H new ATOM 304 N ASN A 20 7.458 -8.917 15.164 1.00 40.45 N ATOM 305 CA ASN A 20 8.812 -9.541 15.263 1.00 75.33 C ATOM 306 C ASN A 20 8.902 -10.526 16.463 1.00 2.10 C ATOM 307 O ASN A 20 8.545 -10.188 17.599 1.00 74.35 O ATOM 308 CB ASN A 20 9.955 -8.471 15.271 1.00 52.33 C ATOM 309 CG ASN A 20 10.119 -7.650 16.562 1.00 51.52 C ATOM 310 OD1 ASN A 20 9.194 -7.460 17.327 1.00 22.42 O ATOM 311 ND2 ASN A 20 11.314 -7.125 16.793 1.00 14.03 N ATOM 0 H ASN A 20 7.442 -7.910 15.324 1.00 40.45 H new ATOM 0 HA ASN A 20 8.962 -10.135 14.361 1.00 75.33 H new ATOM 0 HB2 ASN A 20 10.898 -8.978 15.067 1.00 52.33 H new ATOM 0 HB3 ASN A 20 9.780 -7.779 14.447 1.00 52.33 H new ATOM 0 HD21 ASN A 20 11.468 -6.552 17.623 1.00 14.03 H new ATOM 0 HD22 ASN A 20 12.080 -7.294 16.141 1.00 14.03 H new ATOM 318 N GLY A 21 9.341 -11.767 16.179 1.00 63.40 N ATOM 319 CA GLY A 21 9.352 -12.847 17.177 1.00 35.02 C ATOM 320 C GLY A 21 8.015 -13.608 17.292 1.00 34.10 C ATOM 321 O GLY A 21 7.762 -14.259 18.310 1.00 41.44 O ATOM 0 H GLY A 21 9.693 -12.044 15.263 1.00 63.40 H new ATOM 0 HA2 GLY A 21 10.141 -13.555 16.923 1.00 35.02 H new ATOM 0 HA3 GLY A 21 9.604 -12.426 18.150 1.00 35.02 H new ATOM 325 N THR A 22 7.158 -13.523 16.246 1.00 74.10 N ATOM 326 CA THR A 22 5.863 -14.272 16.178 1.00 50.33 C ATOM 327 C THR A 22 5.723 -14.993 14.820 1.00 51.15 C ATOM 328 O THR A 22 6.551 -14.828 13.912 1.00 74.54 O ATOM 329 CB THR A 22 4.598 -13.347 16.374 1.00 4.23 C ATOM 330 OG1 THR A 22 4.352 -12.575 15.182 1.00 62.43 O ATOM 331 CG2 THR A 22 4.730 -12.396 17.583 1.00 54.33 C ATOM 0 H THR A 22 7.335 -12.940 15.428 1.00 74.10 H new ATOM 0 HA THR A 22 5.894 -14.988 16.999 1.00 50.33 H new ATOM 0 HB THR A 22 3.757 -14.012 16.571 1.00 4.23 H new ATOM 0 HG1 THR A 22 5.098 -11.958 15.032 1.00 62.43 H new ATOM 0 HG21 THR A 22 3.830 -11.786 17.666 1.00 54.33 H new ATOM 0 HG22 THR A 22 4.857 -12.981 18.494 1.00 54.33 H new ATOM 0 HG23 THR A 22 5.596 -11.748 17.444 1.00 54.33 H new ATOM 339 N GLU A 23 4.649 -15.787 14.696 1.00 23.43 N ATOM 340 CA GLU A 23 4.301 -16.513 13.452 1.00 2.22 C ATOM 341 C GLU A 23 3.475 -15.645 12.466 1.00 4.33 C ATOM 342 O GLU A 23 3.312 -16.026 11.302 1.00 51.15 O ATOM 343 CB GLU A 23 3.520 -17.822 13.788 1.00 54.02 C ATOM 344 CG GLU A 23 2.076 -17.643 14.330 1.00 3.34 C ATOM 345 CD GLU A 23 1.974 -16.969 15.716 1.00 33.45 C ATOM 346 OE1 GLU A 23 2.054 -17.681 16.740 1.00 13.32 O ATOM 347 OE2 GLU A 23 1.833 -15.728 15.785 1.00 25.31 O ATOM 0 H GLU A 23 3.990 -15.949 15.457 1.00 23.43 H new ATOM 0 HA GLU A 23 5.240 -16.761 12.958 1.00 2.22 H new ATOM 0 HB2 GLU A 23 3.474 -18.433 12.887 1.00 54.02 H new ATOM 0 HB3 GLU A 23 4.095 -18.383 14.525 1.00 54.02 H new ATOM 0 HG2 GLU A 23 1.506 -17.052 13.613 1.00 3.34 H new ATOM 0 HG3 GLU A 23 1.601 -18.623 14.384 1.00 3.34 H new ATOM 354 N GLY A 24 2.951 -14.491 12.937 1.00 51.44 N ATOM 355 CA GLY A 24 2.124 -13.600 12.102 1.00 52.14 C ATOM 356 C GLY A 24 0.764 -13.256 12.728 1.00 25.15 C ATOM 357 O GLY A 24 0.134 -14.103 13.361 1.00 55.23 O ATOM 0 H GLY A 24 3.088 -14.158 13.891 1.00 51.44 H new ATOM 0 HA2 GLY A 24 2.673 -12.677 11.917 1.00 52.14 H new ATOM 0 HA3 GLY A 24 1.960 -14.073 11.134 1.00 52.14 H new ATOM 361 N LEU A 25 0.308 -11.995 12.534 1.00 23.34 N ATOM 362 CA LEU A 25 -0.978 -11.476 13.088 1.00 33.35 C ATOM 363 C LEU A 25 -1.864 -10.860 11.969 1.00 61.44 C ATOM 364 O LEU A 25 -1.399 -10.623 10.853 1.00 52.55 O ATOM 365 CB LEU A 25 -0.722 -10.401 14.206 1.00 65.23 C ATOM 366 CG LEU A 25 -0.165 -10.892 15.595 1.00 1.43 C ATOM 367 CD1 LEU A 25 -0.972 -12.083 16.140 1.00 44.21 C ATOM 368 CD2 LEU A 25 1.349 -11.193 15.556 1.00 14.53 C ATOM 0 H LEU A 25 0.820 -11.302 11.988 1.00 23.34 H new ATOM 0 HA LEU A 25 -1.504 -12.324 13.527 1.00 33.35 H new ATOM 0 HB2 LEU A 25 -0.023 -9.666 13.808 1.00 65.23 H new ATOM 0 HB3 LEU A 25 -1.662 -9.880 14.389 1.00 65.23 H new ATOM 0 HG LEU A 25 -0.294 -10.064 16.292 1.00 1.43 H new ATOM 0 HD11 LEU A 25 -0.559 -12.394 17.099 1.00 44.21 H new ATOM 0 HD12 LEU A 25 -2.013 -11.787 16.272 1.00 44.21 H new ATOM 0 HD13 LEU A 25 -0.917 -12.913 15.435 1.00 44.21 H new ATOM 0 HD21 LEU A 25 1.679 -11.527 16.540 1.00 14.53 H new ATOM 0 HD22 LEU A 25 1.546 -11.975 14.822 1.00 14.53 H new ATOM 0 HD23 LEU A 25 1.893 -10.290 15.279 1.00 14.53 H new ATOM 380 N THR A 26 -3.154 -10.601 12.297 1.00 13.01 N ATOM 381 CA THR A 26 -4.103 -9.904 11.379 1.00 25.43 C ATOM 382 C THR A 26 -4.091 -8.380 11.630 1.00 44.34 C ATOM 383 O THR A 26 -3.542 -7.922 12.642 1.00 3.11 O ATOM 384 CB THR A 26 -5.582 -10.413 11.543 1.00 31.52 C ATOM 385 OG1 THR A 26 -6.133 -9.971 12.798 1.00 23.25 O ATOM 386 CG2 THR A 26 -5.685 -11.948 11.442 1.00 63.12 C ATOM 0 H THR A 26 -3.567 -10.863 13.192 1.00 13.01 H new ATOM 0 HA THR A 26 -3.762 -10.129 10.368 1.00 25.43 H new ATOM 0 HB THR A 26 -6.157 -9.986 10.721 1.00 31.52 H new ATOM 0 HG1 THR A 26 -5.747 -10.498 13.528 1.00 23.25 H new ATOM 0 HG21 THR A 26 -6.725 -12.252 11.561 1.00 63.12 H new ATOM 0 HG22 THR A 26 -5.322 -12.274 10.467 1.00 63.12 H new ATOM 0 HG23 THR A 26 -5.081 -12.406 12.226 1.00 63.12 H new ATOM 394 N GLN A 27 -4.743 -7.610 10.721 1.00 12.42 N ATOM 395 CA GLN A 27 -4.878 -6.131 10.846 1.00 1.52 C ATOM 396 C GLN A 27 -5.517 -5.719 12.197 1.00 1.05 C ATOM 397 O GLN A 27 -5.182 -4.673 12.742 1.00 50.35 O ATOM 398 CB GLN A 27 -5.709 -5.551 9.663 1.00 14.23 C ATOM 399 CG GLN A 27 -5.972 -4.020 9.727 1.00 12.03 C ATOM 400 CD GLN A 27 -6.845 -3.487 8.591 1.00 63.41 C ATOM 401 OE1 GLN A 27 -7.700 -4.185 8.055 1.00 62.33 O ATOM 402 NE2 GLN A 27 -6.656 -2.232 8.229 1.00 62.40 N ATOM 0 H GLN A 27 -5.188 -7.991 9.886 1.00 12.42 H new ATOM 0 HA GLN A 27 -3.871 -5.714 10.813 1.00 1.52 H new ATOM 0 HB2 GLN A 27 -5.190 -5.776 8.731 1.00 14.23 H new ATOM 0 HB3 GLN A 27 -6.668 -6.067 9.626 1.00 14.23 H new ATOM 0 HG2 GLN A 27 -6.449 -3.784 10.678 1.00 12.03 H new ATOM 0 HG3 GLN A 27 -5.016 -3.497 9.711 1.00 12.03 H new ATOM 0 HE21 GLN A 27 -5.939 -1.671 8.689 1.00 62.40 H new ATOM 0 HE22 GLN A 27 -7.227 -1.823 7.489 1.00 62.40 H new ATOM 411 N LYS A 28 -6.431 -6.555 12.721 1.00 51.12 N ATOM 412 CA LYS A 28 -7.058 -6.358 14.057 1.00 41.24 C ATOM 413 C LYS A 28 -6.005 -6.254 15.197 1.00 60.25 C ATOM 414 O LYS A 28 -6.023 -5.296 15.984 1.00 62.33 O ATOM 415 CB LYS A 28 -8.040 -7.521 14.348 1.00 32.12 C ATOM 416 CG LYS A 28 -9.307 -7.550 13.461 1.00 45.34 C ATOM 417 CD LYS A 28 -10.251 -6.345 13.715 1.00 53.22 C ATOM 418 CE LYS A 28 -10.788 -6.301 15.161 1.00 61.13 C ATOM 419 NZ LYS A 28 -11.673 -5.136 15.393 1.00 64.53 N ATOM 0 H LYS A 28 -6.762 -7.389 12.236 1.00 51.12 H new ATOM 0 HA LYS A 28 -7.597 -5.411 14.030 1.00 41.24 H new ATOM 0 HB2 LYS A 28 -7.508 -8.464 14.225 1.00 32.12 H new ATOM 0 HB3 LYS A 28 -8.348 -7.463 15.392 1.00 32.12 H new ATOM 0 HG2 LYS A 28 -9.010 -7.557 12.412 1.00 45.34 H new ATOM 0 HG3 LYS A 28 -9.851 -8.476 13.644 1.00 45.34 H new ATOM 0 HD2 LYS A 28 -9.716 -5.419 13.502 1.00 53.22 H new ATOM 0 HD3 LYS A 28 -11.091 -6.395 13.022 1.00 53.22 H new ATOM 0 HE2 LYS A 28 -11.336 -7.219 15.371 1.00 61.13 H new ATOM 0 HE3 LYS A 28 -9.950 -6.263 15.857 1.00 61.13 H new ATOM 0 HZ1 LYS A 28 -12.010 -5.147 16.377 1.00 64.53 H new ATOM 0 HZ2 LYS A 28 -11.144 -4.258 15.218 1.00 64.53 H new ATOM 0 HZ3 LYS A 28 -12.487 -5.184 14.747 1.00 64.53 H new ATOM 433 N GLN A 29 -5.091 -7.242 15.264 1.00 25.03 N ATOM 434 CA GLN A 29 -4.024 -7.288 16.299 1.00 32.35 C ATOM 435 C GLN A 29 -3.000 -6.149 16.104 1.00 34.41 C ATOM 436 O GLN A 29 -2.532 -5.549 17.078 1.00 62.34 O ATOM 437 CB GLN A 29 -3.284 -8.656 16.305 1.00 64.15 C ATOM 438 CG GLN A 29 -4.087 -9.864 16.842 1.00 35.34 C ATOM 439 CD GLN A 29 -5.215 -10.339 15.926 1.00 73.31 C ATOM 440 OE1 GLN A 29 -5.011 -11.186 15.059 1.00 62.04 O ATOM 441 NE2 GLN A 29 -6.405 -9.798 16.103 1.00 64.53 N ATOM 0 H GLN A 29 -5.066 -8.026 14.612 1.00 25.03 H new ATOM 0 HA GLN A 29 -4.520 -7.158 17.261 1.00 32.35 H new ATOM 0 HB2 GLN A 29 -2.969 -8.880 15.286 1.00 64.15 H new ATOM 0 HB3 GLN A 29 -2.379 -8.553 16.903 1.00 64.15 H new ATOM 0 HG2 GLN A 29 -3.400 -10.694 17.010 1.00 35.34 H new ATOM 0 HG3 GLN A 29 -4.511 -9.600 17.811 1.00 35.34 H new ATOM 0 HE21 GLN A 29 -6.543 -9.097 16.831 1.00 64.53 H new ATOM 0 HE22 GLN A 29 -7.187 -10.080 15.512 1.00 64.53 H new ATOM 450 N ILE A 30 -2.669 -5.860 14.834 1.00 34.32 N ATOM 451 CA ILE A 30 -1.718 -4.788 14.474 1.00 11.32 C ATOM 452 C ILE A 30 -2.275 -3.403 14.874 1.00 11.42 C ATOM 453 O ILE A 30 -1.574 -2.604 15.469 1.00 53.53 O ATOM 454 CB ILE A 30 -1.393 -4.805 12.932 1.00 43.51 C ATOM 455 CG1 ILE A 30 -0.858 -6.211 12.505 1.00 5.23 C ATOM 456 CG2 ILE A 30 -0.383 -3.688 12.565 1.00 34.32 C ATOM 457 CD1 ILE A 30 -0.607 -6.386 11.014 1.00 53.22 C ATOM 0 H ILE A 30 -3.050 -6.359 14.030 1.00 34.32 H new ATOM 0 HA ILE A 30 -0.795 -4.973 15.024 1.00 11.32 H new ATOM 0 HB ILE A 30 -2.314 -4.609 12.384 1.00 43.51 H new ATOM 0 HG12 ILE A 30 0.073 -6.405 13.039 1.00 5.23 H new ATOM 0 HG13 ILE A 30 -1.574 -6.967 12.827 1.00 5.23 H new ATOM 0 HG21 ILE A 30 -0.176 -3.722 11.495 1.00 34.32 H new ATOM 0 HG22 ILE A 30 -0.805 -2.717 12.822 1.00 34.32 H new ATOM 0 HG23 ILE A 30 0.544 -3.839 13.119 1.00 34.32 H new ATOM 0 HD11 ILE A 30 -0.238 -7.394 10.823 1.00 53.22 H new ATOM 0 HD12 ILE A 30 -1.537 -6.230 10.468 1.00 53.22 H new ATOM 0 HD13 ILE A 30 0.135 -5.659 10.682 1.00 53.22 H new ATOM 469 N LYS A 31 -3.563 -3.170 14.573 1.00 12.12 N ATOM 470 CA LYS A 31 -4.263 -1.892 14.853 1.00 11.31 C ATOM 471 C LYS A 31 -4.420 -1.649 16.373 1.00 75.44 C ATOM 472 O LYS A 31 -4.398 -0.507 16.830 1.00 5.51 O ATOM 473 CB LYS A 31 -5.652 -1.891 14.154 1.00 42.32 C ATOM 474 CG LYS A 31 -6.515 -0.628 14.399 1.00 62.11 C ATOM 475 CD LYS A 31 -7.787 -0.591 13.519 1.00 53.23 C ATOM 476 CE LYS A 31 -8.659 0.657 13.774 1.00 2.31 C ATOM 477 NZ LYS A 31 -9.866 0.687 12.902 1.00 4.34 N ATOM 0 H LYS A 31 -4.159 -3.866 14.124 1.00 12.12 H new ATOM 0 HA LYS A 31 -3.658 -1.078 14.455 1.00 11.31 H new ATOM 0 HB2 LYS A 31 -5.500 -2.005 13.081 1.00 42.32 H new ATOM 0 HB3 LYS A 31 -6.211 -2.764 14.491 1.00 42.32 H new ATOM 0 HG2 LYS A 31 -6.804 -0.589 15.449 1.00 62.11 H new ATOM 0 HG3 LYS A 31 -5.915 0.260 14.200 1.00 62.11 H new ATOM 0 HD2 LYS A 31 -7.497 -0.616 12.469 1.00 53.23 H new ATOM 0 HD3 LYS A 31 -8.379 -1.486 13.708 1.00 53.23 H new ATOM 0 HE2 LYS A 31 -8.967 0.675 14.819 1.00 2.31 H new ATOM 0 HE3 LYS A 31 -8.065 1.555 13.601 1.00 2.31 H new ATOM 0 HZ1 LYS A 31 -9.839 1.535 12.301 1.00 4.34 H new ATOM 0 HZ2 LYS A 31 -9.882 -0.162 12.302 1.00 4.34 H new ATOM 0 HZ3 LYS A 31 -10.721 0.709 13.493 1.00 4.34 H new ATOM 491 N LYS A 32 -4.576 -2.742 17.138 1.00 14.02 N ATOM 492 CA LYS A 32 -4.654 -2.693 18.616 1.00 12.35 C ATOM 493 C LYS A 32 -3.273 -2.291 19.211 1.00 41.33 C ATOM 494 O LYS A 32 -3.190 -1.414 20.080 1.00 75.01 O ATOM 495 CB LYS A 32 -5.158 -4.082 19.150 1.00 44.10 C ATOM 496 CG LYS A 32 -5.602 -4.139 20.645 1.00 13.55 C ATOM 497 CD LYS A 32 -4.424 -4.200 21.652 1.00 63.31 C ATOM 498 CE LYS A 32 -4.886 -4.231 23.120 1.00 14.10 C ATOM 499 NZ LYS A 32 -5.606 -2.987 23.512 1.00 73.43 N ATOM 0 H LYS A 32 -4.652 -3.684 16.755 1.00 14.02 H new ATOM 0 HA LYS A 32 -5.368 -1.933 18.934 1.00 12.35 H new ATOM 0 HB2 LYS A 32 -5.999 -4.399 18.533 1.00 44.10 H new ATOM 0 HB3 LYS A 32 -4.362 -4.812 19.003 1.00 44.10 H new ATOM 0 HG2 LYS A 32 -6.210 -3.262 20.866 1.00 13.55 H new ATOM 0 HG3 LYS A 32 -6.237 -5.013 20.791 1.00 13.55 H new ATOM 0 HD2 LYS A 32 -3.824 -5.087 21.447 1.00 63.31 H new ATOM 0 HD3 LYS A 32 -3.778 -3.336 21.499 1.00 63.31 H new ATOM 0 HE2 LYS A 32 -5.539 -5.090 23.275 1.00 14.10 H new ATOM 0 HE3 LYS A 32 -4.020 -4.367 23.768 1.00 14.10 H new ATOM 0 HZ1 LYS A 32 -5.793 -3.002 24.535 1.00 73.43 H new ATOM 0 HZ2 LYS A 32 -5.021 -2.159 23.279 1.00 73.43 H new ATOM 0 HZ3 LYS A 32 -6.507 -2.930 22.996 1.00 73.43 H new ATOM 513 N ALA A 33 -2.199 -2.938 18.710 1.00 30.13 N ATOM 514 CA ALA A 33 -0.813 -2.725 19.200 1.00 54.03 C ATOM 515 C ALA A 33 -0.289 -1.305 18.858 1.00 60.01 C ATOM 516 O ALA A 33 0.209 -0.580 19.724 1.00 30.31 O ATOM 517 CB ALA A 33 0.114 -3.805 18.615 1.00 33.33 C ATOM 0 H ALA A 33 -2.264 -3.622 17.956 1.00 30.13 H new ATOM 0 HA ALA A 33 -0.821 -2.807 20.287 1.00 54.03 H new ATOM 0 HB1 ALA A 33 1.130 -3.647 18.976 1.00 33.33 H new ATOM 0 HB2 ALA A 33 -0.233 -4.790 18.927 1.00 33.33 H new ATOM 0 HB3 ALA A 33 0.102 -3.744 17.527 1.00 33.33 H new ATOM 523 N THR A 34 -0.434 -0.926 17.583 1.00 25.43 N ATOM 524 CA THR A 34 -0.022 0.401 17.053 1.00 75.24 C ATOM 525 C THR A 34 -0.976 1.526 17.512 1.00 63.43 C ATOM 526 O THR A 34 -0.584 2.698 17.552 1.00 43.42 O ATOM 527 CB THR A 34 0.009 0.388 15.492 1.00 74.03 C ATOM 528 OG1 THR A 34 -1.306 0.080 14.995 1.00 64.32 O ATOM 529 CG2 THR A 34 1.022 -0.634 14.937 1.00 53.11 C ATOM 0 H THR A 34 -0.845 -1.532 16.873 1.00 25.43 H new ATOM 0 HA THR A 34 0.975 0.597 17.448 1.00 75.24 H new ATOM 0 HB THR A 34 0.324 1.376 15.157 1.00 74.03 H new ATOM 0 HG1 THR A 34 -1.483 -0.877 15.109 1.00 64.32 H new ATOM 0 HG21 THR A 34 1.007 -0.606 13.847 1.00 53.11 H new ATOM 0 HG22 THR A 34 2.022 -0.385 15.293 1.00 53.11 H new ATOM 0 HG23 THR A 34 0.754 -1.634 15.278 1.00 53.11 H new ATOM 537 N LYS A 35 -2.232 1.137 17.833 1.00 4.40 N ATOM 538 CA LYS A 35 -3.316 2.048 18.274 1.00 42.42 C ATOM 539 C LYS A 35 -3.740 3.015 17.112 1.00 32.33 C ATOM 540 O LYS A 35 -4.236 4.129 17.347 1.00 45.40 O ATOM 541 CB LYS A 35 -2.893 2.806 19.582 1.00 71.20 C ATOM 542 CG LYS A 35 -4.044 3.508 20.350 1.00 41.41 C ATOM 543 CD LYS A 35 -3.571 4.264 21.621 1.00 31.32 C ATOM 544 CE LYS A 35 -2.894 3.341 22.653 1.00 34.44 C ATOM 545 NZ LYS A 35 -2.435 4.085 23.855 1.00 21.25 N ATOM 0 H LYS A 35 -2.527 0.161 17.792 1.00 4.40 H new ATOM 0 HA LYS A 35 -4.201 1.461 18.521 1.00 42.42 H new ATOM 0 HB2 LYS A 35 -2.412 2.095 20.254 1.00 71.20 H new ATOM 0 HB3 LYS A 35 -2.144 3.554 19.321 1.00 71.20 H new ATOM 0 HG2 LYS A 35 -4.539 4.212 19.682 1.00 41.41 H new ATOM 0 HG3 LYS A 35 -4.787 2.763 20.636 1.00 41.41 H new ATOM 0 HD2 LYS A 35 -2.873 5.050 21.331 1.00 31.32 H new ATOM 0 HD3 LYS A 35 -4.427 4.753 22.086 1.00 31.32 H new ATOM 0 HE2 LYS A 35 -3.594 2.562 22.955 1.00 34.44 H new ATOM 0 HE3 LYS A 35 -2.043 2.843 22.189 1.00 34.44 H new ATOM 0 HZ1 LYS A 35 -1.986 3.425 24.522 1.00 21.25 H new ATOM 0 HZ2 LYS A 35 -1.747 4.812 23.572 1.00 21.25 H new ATOM 0 HZ3 LYS A 35 -3.250 4.540 24.314 1.00 21.25 H new ATOM 559 N LEU A 36 -3.585 2.550 15.843 1.00 62.33 N ATOM 560 CA LEU A 36 -3.941 3.362 14.643 1.00 54.12 C ATOM 561 C LEU A 36 -5.472 3.402 14.411 1.00 62.10 C ATOM 562 O LEU A 36 -6.216 2.584 14.960 1.00 24.32 O ATOM 563 CB LEU A 36 -3.138 2.907 13.372 1.00 2.21 C ATOM 564 CG LEU A 36 -3.365 1.460 12.789 1.00 21.13 C ATOM 565 CD1 LEU A 36 -4.621 1.363 11.897 1.00 34.21 C ATOM 566 CD2 LEU A 36 -2.117 0.971 12.013 1.00 51.45 C ATOM 0 H LEU A 36 -3.219 1.624 15.623 1.00 62.33 H new ATOM 0 HA LEU A 36 -3.637 4.390 14.840 1.00 54.12 H new ATOM 0 HB2 LEU A 36 -3.356 3.618 12.575 1.00 2.21 H new ATOM 0 HB3 LEU A 36 -2.077 3.003 13.604 1.00 2.21 H new ATOM 0 HG LEU A 36 -3.530 0.808 13.647 1.00 21.13 H new ATOM 0 HD11 LEU A 36 -4.725 0.344 11.525 1.00 34.21 H new ATOM 0 HD12 LEU A 36 -5.503 1.628 12.480 1.00 34.21 H new ATOM 0 HD13 LEU A 36 -4.523 2.049 11.055 1.00 34.21 H new ATOM 0 HD21 LEU A 36 -2.301 -0.030 11.622 1.00 51.45 H new ATOM 0 HD22 LEU A 36 -1.912 1.652 11.187 1.00 51.45 H new ATOM 0 HD23 LEU A 36 -1.258 0.946 12.684 1.00 51.45 H new ATOM 578 N LYS A 37 -5.936 4.374 13.612 1.00 44.14 N ATOM 579 CA LYS A 37 -7.380 4.607 13.376 1.00 60.34 C ATOM 580 C LYS A 37 -7.823 4.082 11.990 1.00 44.45 C ATOM 581 O LYS A 37 -8.723 3.244 11.895 1.00 14.42 O ATOM 582 CB LYS A 37 -7.698 6.123 13.506 1.00 14.42 C ATOM 583 CG LYS A 37 -9.177 6.486 13.227 1.00 63.15 C ATOM 584 CD LYS A 37 -9.460 7.996 13.359 1.00 65.32 C ATOM 585 CE LYS A 37 -10.923 8.343 13.030 1.00 72.13 C ATOM 586 NZ LYS A 37 -11.196 9.789 13.198 1.00 62.31 N ATOM 0 H LYS A 37 -5.329 5.022 13.110 1.00 44.14 H new ATOM 0 HA LYS A 37 -7.939 4.054 14.131 1.00 60.34 H new ATOM 0 HB2 LYS A 37 -7.438 6.453 14.512 1.00 14.42 H new ATOM 0 HB3 LYS A 37 -7.063 6.677 12.815 1.00 14.42 H new ATOM 0 HG2 LYS A 37 -9.443 6.158 12.222 1.00 63.15 H new ATOM 0 HG3 LYS A 37 -9.817 5.940 13.920 1.00 63.15 H new ATOM 0 HD2 LYS A 37 -9.231 8.320 14.374 1.00 65.32 H new ATOM 0 HD3 LYS A 37 -8.798 8.548 12.691 1.00 65.32 H new ATOM 0 HE2 LYS A 37 -11.145 8.048 12.004 1.00 72.13 H new ATOM 0 HE3 LYS A 37 -11.587 7.770 13.677 1.00 72.13 H new ATOM 0 HZ1 LYS A 37 -12.191 9.983 12.967 1.00 62.31 H new ATOM 0 HZ2 LYS A 37 -11.008 10.066 14.183 1.00 62.31 H new ATOM 0 HZ3 LYS A 37 -10.580 10.335 12.562 1.00 62.31 H new ATOM 600 N ALA A 38 -7.193 4.591 10.925 1.00 2.33 N ATOM 601 CA ALA A 38 -7.634 4.333 9.531 1.00 15.51 C ATOM 602 C ALA A 38 -6.933 3.105 8.914 1.00 23.32 C ATOM 603 O ALA A 38 -5.774 2.808 9.221 1.00 35.33 O ATOM 604 CB ALA A 38 -7.392 5.582 8.654 1.00 70.04 C ATOM 0 H ALA A 38 -6.370 5.189 10.993 1.00 2.33 H new ATOM 0 HA ALA A 38 -8.701 4.114 9.565 1.00 15.51 H new ATOM 0 HB1 ALA A 38 -7.720 5.380 7.634 1.00 70.04 H new ATOM 0 HB2 ALA A 38 -7.956 6.424 9.056 1.00 70.04 H new ATOM 0 HB3 ALA A 38 -6.329 5.825 8.652 1.00 70.04 H new ATOM 610 N ASP A 39 -7.663 2.401 8.030 1.00 62.22 N ATOM 611 CA ASP A 39 -7.086 1.350 7.161 1.00 31.31 C ATOM 612 C ASP A 39 -5.980 1.943 6.255 1.00 63.30 C ATOM 613 O ASP A 39 -4.998 1.281 5.936 1.00 15.33 O ATOM 614 CB ASP A 39 -8.192 0.732 6.276 1.00 43.33 C ATOM 615 CG ASP A 39 -9.341 0.136 7.092 1.00 13.45 C ATOM 616 OD1 ASP A 39 -10.253 0.893 7.495 1.00 64.43 O ATOM 617 OD2 ASP A 39 -9.325 -1.083 7.355 1.00 44.51 O ATOM 0 H ASP A 39 -8.664 2.541 7.895 1.00 62.22 H new ATOM 0 HA ASP A 39 -6.651 0.579 7.797 1.00 31.31 H new ATOM 0 HB2 ASP A 39 -8.586 1.498 5.608 1.00 43.33 H new ATOM 0 HB3 ASP A 39 -7.757 -0.046 5.648 1.00 43.33 H new ATOM 622 N LYS A 40 -6.185 3.213 5.877 1.00 4.44 N ATOM 623 CA LYS A 40 -5.334 3.970 4.937 1.00 52.43 C ATOM 624 C LYS A 40 -3.843 4.030 5.352 1.00 54.15 C ATOM 625 O LYS A 40 -2.967 3.659 4.563 1.00 63.12 O ATOM 626 CB LYS A 40 -5.918 5.400 4.798 1.00 1.02 C ATOM 627 CG LYS A 40 -7.359 5.443 4.238 1.00 41.03 C ATOM 628 CD LYS A 40 -7.435 5.027 2.751 1.00 1.02 C ATOM 629 CE LYS A 40 -6.597 5.940 1.837 1.00 64.41 C ATOM 630 NZ LYS A 40 -7.090 7.343 1.833 1.00 4.21 N ATOM 0 H LYS A 40 -6.971 3.762 6.226 1.00 4.44 H new ATOM 0 HA LYS A 40 -5.346 3.445 3.982 1.00 52.43 H new ATOM 0 HB2 LYS A 40 -5.905 5.882 5.775 1.00 1.02 H new ATOM 0 HB3 LYS A 40 -5.269 5.984 4.146 1.00 1.02 H new ATOM 0 HG2 LYS A 40 -7.994 4.782 4.829 1.00 41.03 H new ATOM 0 HG3 LYS A 40 -7.758 6.451 4.350 1.00 41.03 H new ATOM 0 HD2 LYS A 40 -7.089 3.999 2.647 1.00 1.02 H new ATOM 0 HD3 LYS A 40 -8.475 5.048 2.424 1.00 1.02 H new ATOM 0 HE2 LYS A 40 -5.558 5.924 2.166 1.00 64.41 H new ATOM 0 HE3 LYS A 40 -6.616 5.548 0.820 1.00 64.41 H new ATOM 0 HZ1 LYS A 40 -6.320 7.981 1.548 1.00 4.21 H new ATOM 0 HZ2 LYS A 40 -7.879 7.432 1.162 1.00 4.21 H new ATOM 0 HZ3 LYS A 40 -7.416 7.599 2.787 1.00 4.21 H new ATOM 644 N ASP A 41 -3.561 4.467 6.595 1.00 72.02 N ATOM 645 CA ASP A 41 -2.165 4.600 7.079 1.00 70.41 C ATOM 646 C ASP A 41 -1.546 3.206 7.358 1.00 62.31 C ATOM 647 O ASP A 41 -0.326 3.025 7.259 1.00 62.51 O ATOM 648 CB ASP A 41 -2.094 5.518 8.325 1.00 24.21 C ATOM 649 CG ASP A 41 -2.892 4.990 9.528 1.00 12.24 C ATOM 650 OD1 ASP A 41 -4.120 5.206 9.571 1.00 23.42 O ATOM 651 OD2 ASP A 41 -2.285 4.389 10.443 1.00 0.42 O ATOM 0 H ASP A 41 -4.270 4.732 7.279 1.00 72.02 H new ATOM 0 HA ASP A 41 -1.574 5.072 6.295 1.00 70.41 H new ATOM 0 HB2 ASP A 41 -1.051 5.639 8.617 1.00 24.21 H new ATOM 0 HB3 ASP A 41 -2.467 6.507 8.059 1.00 24.21 H new ATOM 656 N PHE A 42 -2.413 2.227 7.691 1.00 64.54 N ATOM 657 CA PHE A 42 -2.024 0.800 7.780 1.00 23.43 C ATOM 658 C PHE A 42 -1.464 0.282 6.422 1.00 52.11 C ATOM 659 O PHE A 42 -0.493 -0.468 6.401 1.00 3.32 O ATOM 660 CB PHE A 42 -3.236 -0.062 8.239 1.00 43.04 C ATOM 661 CG PHE A 42 -2.980 -1.573 8.226 1.00 13.31 C ATOM 662 CD1 PHE A 42 -2.236 -2.178 9.237 1.00 73.21 C ATOM 663 CD2 PHE A 42 -3.464 -2.384 7.191 1.00 42.32 C ATOM 664 CE1 PHE A 42 -1.986 -3.533 9.214 1.00 43.44 C ATOM 665 CE2 PHE A 42 -3.213 -3.743 7.175 1.00 41.31 C ATOM 666 CZ PHE A 42 -2.472 -4.317 8.186 1.00 10.14 C ATOM 0 H PHE A 42 -3.395 2.399 7.905 1.00 64.54 H new ATOM 0 HA PHE A 42 -1.230 0.711 8.522 1.00 23.43 H new ATOM 0 HB2 PHE A 42 -3.518 0.238 9.248 1.00 43.04 H new ATOM 0 HB3 PHE A 42 -4.086 0.156 7.593 1.00 43.04 H new ATOM 0 HD1 PHE A 42 -1.851 -1.578 10.048 1.00 73.21 H new ATOM 0 HD2 PHE A 42 -4.042 -1.940 6.394 1.00 42.32 H new ATOM 0 HE1 PHE A 42 -1.406 -3.985 10.005 1.00 43.44 H new ATOM 0 HE2 PHE A 42 -3.597 -4.354 6.372 1.00 41.31 H new ATOM 0 HZ PHE A 42 -2.272 -5.378 8.174 1.00 10.14 H new ATOM 676 N PHE A 43 -2.099 0.679 5.300 1.00 12.23 N ATOM 677 CA PHE A 43 -1.651 0.289 3.933 1.00 5.14 C ATOM 678 C PHE A 43 -0.294 0.924 3.550 1.00 74.42 C ATOM 679 O PHE A 43 0.466 0.328 2.792 1.00 63.23 O ATOM 680 CB PHE A 43 -2.723 0.643 2.869 1.00 53.34 C ATOM 681 CG PHE A 43 -4.080 -0.019 3.102 1.00 1.21 C ATOM 682 CD1 PHE A 43 -4.172 -1.356 3.514 1.00 41.02 C ATOM 683 CD2 PHE A 43 -5.260 0.693 2.923 1.00 30.02 C ATOM 684 CE1 PHE A 43 -5.400 -1.947 3.735 1.00 52.43 C ATOM 685 CE2 PHE A 43 -6.484 0.101 3.144 1.00 0.32 C ATOM 686 CZ PHE A 43 -6.554 -1.218 3.550 1.00 23.22 C ATOM 0 H PHE A 43 -2.928 1.273 5.307 1.00 12.23 H new ATOM 0 HA PHE A 43 -1.514 -0.792 3.953 1.00 5.14 H new ATOM 0 HB2 PHE A 43 -2.857 1.725 2.851 1.00 53.34 H new ATOM 0 HB3 PHE A 43 -2.353 0.351 1.886 1.00 53.34 H new ATOM 0 HD1 PHE A 43 -3.270 -1.931 3.660 1.00 41.02 H new ATOM 0 HD2 PHE A 43 -5.217 1.725 2.606 1.00 30.02 H new ATOM 0 HE1 PHE A 43 -5.456 -2.978 4.052 1.00 52.43 H new ATOM 0 HE2 PHE A 43 -7.391 0.669 3.000 1.00 0.32 H new ATOM 0 HZ PHE A 43 -7.516 -1.678 3.723 1.00 23.22 H new ATOM 696 N LEU A 44 -0.015 2.143 4.046 1.00 50.32 N ATOM 697 CA LEU A 44 1.301 2.808 3.841 1.00 12.11 C ATOM 698 C LEU A 44 2.416 2.124 4.681 1.00 43.24 C ATOM 699 O LEU A 44 3.576 2.088 4.265 1.00 41.10 O ATOM 700 CB LEU A 44 1.205 4.339 4.153 1.00 2.01 C ATOM 701 CG LEU A 44 0.644 5.248 2.999 1.00 61.22 C ATOM 702 CD1 LEU A 44 -0.769 4.825 2.539 1.00 24.24 C ATOM 703 CD2 LEU A 44 0.667 6.741 3.402 1.00 71.03 C ATOM 0 H LEU A 44 -0.677 2.694 4.592 1.00 50.32 H new ATOM 0 HA LEU A 44 1.574 2.699 2.791 1.00 12.11 H new ATOM 0 HB2 LEU A 44 0.573 4.471 5.031 1.00 2.01 H new ATOM 0 HB3 LEU A 44 2.199 4.698 4.419 1.00 2.01 H new ATOM 0 HG LEU A 44 1.309 5.109 2.146 1.00 61.22 H new ATOM 0 HD11 LEU A 44 -1.105 5.487 1.741 1.00 24.24 H new ATOM 0 HD12 LEU A 44 -0.740 3.799 2.171 1.00 24.24 H new ATOM 0 HD13 LEU A 44 -1.460 4.890 3.380 1.00 24.24 H new ATOM 0 HD21 LEU A 44 0.273 7.345 2.584 1.00 71.03 H new ATOM 0 HD22 LEU A 44 0.052 6.888 4.290 1.00 71.03 H new ATOM 0 HD23 LEU A 44 1.692 7.044 3.616 1.00 71.03 H new ATOM 715 N GLY A 45 2.038 1.577 5.859 1.00 43.43 N ATOM 716 CA GLY A 45 2.966 0.805 6.705 1.00 0.25 C ATOM 717 C GLY A 45 3.251 -0.600 6.164 1.00 44.33 C ATOM 718 O GLY A 45 4.382 -0.920 5.819 1.00 4.22 O ATOM 0 H GLY A 45 1.096 1.658 6.242 1.00 43.43 H new ATOM 0 HA2 GLY A 45 3.906 1.350 6.794 1.00 0.25 H new ATOM 0 HA3 GLY A 45 2.549 0.723 7.709 1.00 0.25 H new ATOM 722 N LEU A 46 2.195 -1.428 6.077 1.00 24.43 N ATOM 723 CA LEU A 46 2.255 -2.807 5.521 1.00 1.11 C ATOM 724 C LEU A 46 2.735 -2.823 4.044 1.00 14.50 C ATOM 725 O LEU A 46 3.421 -3.755 3.604 1.00 63.35 O ATOM 726 CB LEU A 46 0.855 -3.474 5.627 1.00 1.02 C ATOM 727 CG LEU A 46 0.769 -4.954 5.136 1.00 24.33 C ATOM 728 CD1 LEU A 46 1.679 -5.867 5.978 1.00 1.24 C ATOM 729 CD2 LEU A 46 -0.689 -5.467 5.115 1.00 62.21 C ATOM 0 H LEU A 46 1.262 -1.163 6.392 1.00 24.43 H new ATOM 0 HA LEU A 46 2.983 -3.368 6.107 1.00 1.11 H new ATOM 0 HB2 LEU A 46 0.534 -3.437 6.668 1.00 1.02 H new ATOM 0 HB3 LEU A 46 0.145 -2.879 5.053 1.00 1.02 H new ATOM 0 HG LEU A 46 1.129 -4.982 4.108 1.00 24.33 H new ATOM 0 HD11 LEU A 46 1.601 -6.892 5.616 1.00 1.24 H new ATOM 0 HD12 LEU A 46 2.712 -5.530 5.893 1.00 1.24 H new ATOM 0 HD13 LEU A 46 1.369 -5.826 7.022 1.00 1.24 H new ATOM 0 HD21 LEU A 46 -0.706 -6.500 4.768 1.00 62.21 H new ATOM 0 HD22 LEU A 46 -1.108 -5.415 6.120 1.00 62.21 H new ATOM 0 HD23 LEU A 46 -1.283 -4.848 4.442 1.00 62.21 H new ATOM 741 N GLY A 47 2.367 -1.773 3.300 1.00 42.51 N ATOM 742 CA GLY A 47 2.808 -1.593 1.907 1.00 23.42 C ATOM 743 C GLY A 47 4.303 -1.305 1.805 1.00 62.32 C ATOM 744 O GLY A 47 4.959 -1.677 0.821 1.00 2.31 O ATOM 0 H GLY A 47 1.760 -1.028 3.641 1.00 42.51 H new ATOM 0 HA2 GLY A 47 2.573 -2.491 1.335 1.00 23.42 H new ATOM 0 HA3 GLY A 47 2.251 -0.773 1.455 1.00 23.42 H new ATOM 748 N TRP A 48 4.847 -0.633 2.842 1.00 51.12 N ATOM 749 CA TRP A 48 6.295 -0.424 2.978 1.00 23.35 C ATOM 750 C TRP A 48 7.005 -1.766 3.316 1.00 3.30 C ATOM 751 O TRP A 48 8.124 -2.008 2.885 1.00 41.14 O ATOM 752 CB TRP A 48 6.608 0.664 4.041 1.00 43.34 C ATOM 753 CG TRP A 48 8.021 1.199 3.952 1.00 63.12 C ATOM 754 CD1 TRP A 48 9.150 0.700 4.543 1.00 3.23 C ATOM 755 CD2 TRP A 48 8.442 2.335 3.193 1.00 4.22 C ATOM 756 NE1 TRP A 48 10.241 1.442 4.178 1.00 52.22 N ATOM 757 CE2 TRP A 48 9.832 2.454 3.354 1.00 0.12 C ATOM 758 CE3 TRP A 48 7.771 3.259 2.390 1.00 32.31 C ATOM 759 CZ2 TRP A 48 10.568 3.455 2.735 1.00 22.43 C ATOM 760 CZ3 TRP A 48 8.500 4.255 1.777 1.00 12.40 C ATOM 761 CH2 TRP A 48 9.889 4.348 1.949 1.00 61.54 C ATOM 0 H TRP A 48 4.297 -0.226 3.599 1.00 51.12 H new ATOM 0 HA TRP A 48 6.681 -0.065 2.024 1.00 23.35 H new ATOM 0 HB2 TRP A 48 5.906 1.490 3.923 1.00 43.34 H new ATOM 0 HB3 TRP A 48 6.446 0.248 5.035 1.00 43.34 H new ATOM 0 HD1 TRP A 48 9.176 -0.155 5.202 1.00 3.23 H new ATOM 0 HE1 TRP A 48 11.202 1.268 4.473 1.00 52.22 H new ATOM 0 HE3 TRP A 48 6.702 3.195 2.252 1.00 32.31 H new ATOM 0 HZ2 TRP A 48 11.637 3.527 2.868 1.00 22.43 H new ATOM 0 HZ3 TRP A 48 7.993 4.976 1.153 1.00 12.40 H new ATOM 0 HH2 TRP A 48 10.433 5.138 1.453 1.00 61.54 H new ATOM 772 N LEU A 49 6.331 -2.641 4.075 1.00 44.24 N ATOM 773 CA LEU A 49 6.821 -4.020 4.357 1.00 51.00 C ATOM 774 C LEU A 49 6.868 -4.887 3.061 1.00 44.23 C ATOM 775 O LEU A 49 7.740 -5.757 2.924 1.00 72.41 O ATOM 776 CB LEU A 49 5.935 -4.694 5.454 1.00 74.33 C ATOM 777 CG LEU A 49 6.265 -4.355 6.953 1.00 65.33 C ATOM 778 CD1 LEU A 49 6.431 -2.859 7.179 1.00 51.51 C ATOM 779 CD2 LEU A 49 5.181 -4.914 7.901 1.00 61.22 C ATOM 0 H LEU A 49 5.435 -2.426 4.514 1.00 44.24 H new ATOM 0 HA LEU A 49 7.842 -3.947 4.732 1.00 51.00 H new ATOM 0 HB2 LEU A 49 4.897 -4.419 5.266 1.00 74.33 H new ATOM 0 HB3 LEU A 49 6.006 -5.774 5.329 1.00 74.33 H new ATOM 0 HG LEU A 49 7.217 -4.836 7.180 1.00 65.33 H new ATOM 0 HD11 LEU A 49 6.658 -2.673 8.229 1.00 51.51 H new ATOM 0 HD12 LEU A 49 7.247 -2.486 6.560 1.00 51.51 H new ATOM 0 HD13 LEU A 49 5.508 -2.346 6.911 1.00 51.51 H new ATOM 0 HD21 LEU A 49 5.435 -4.665 8.931 1.00 61.22 H new ATOM 0 HD22 LEU A 49 4.216 -4.475 7.649 1.00 61.22 H new ATOM 0 HD23 LEU A 49 5.126 -5.997 7.793 1.00 61.22 H new ATOM 791 N LEU A 50 5.920 -4.638 2.123 1.00 73.21 N ATOM 792 CA LEU A 50 5.909 -5.272 0.777 1.00 2.33 C ATOM 793 C LEU A 50 7.089 -4.768 -0.095 1.00 31.15 C ATOM 794 O LEU A 50 7.754 -5.561 -0.775 1.00 22.52 O ATOM 795 CB LEU A 50 4.557 -5.001 0.045 1.00 4.20 C ATOM 796 CG LEU A 50 3.299 -5.737 0.607 1.00 63.41 C ATOM 797 CD1 LEU A 50 2.017 -5.327 -0.161 1.00 33.35 C ATOM 798 CD2 LEU A 50 3.498 -7.273 0.569 1.00 23.11 C ATOM 0 H LEU A 50 5.143 -3.995 2.276 1.00 73.21 H new ATOM 0 HA LEU A 50 6.023 -6.346 0.924 1.00 2.33 H new ATOM 0 HB2 LEU A 50 4.364 -3.928 0.071 1.00 4.20 H new ATOM 0 HB3 LEU A 50 4.675 -5.279 -1.002 1.00 4.20 H new ATOM 0 HG LEU A 50 3.173 -5.435 1.647 1.00 63.41 H new ATOM 0 HD11 LEU A 50 1.159 -5.856 0.254 1.00 33.35 H new ATOM 0 HD12 LEU A 50 1.862 -4.252 -0.063 1.00 33.35 H new ATOM 0 HD13 LEU A 50 2.126 -5.583 -1.215 1.00 33.35 H new ATOM 0 HD21 LEU A 50 2.610 -7.765 0.965 1.00 23.11 H new ATOM 0 HD22 LEU A 50 3.662 -7.593 -0.460 1.00 23.11 H new ATOM 0 HD23 LEU A 50 4.363 -7.543 1.175 1.00 23.11 H new ATOM 810 N ARG A 51 7.344 -3.443 -0.059 1.00 70.22 N ATOM 811 CA ARG A 51 8.453 -2.823 -0.824 1.00 34.41 C ATOM 812 C ARG A 51 9.836 -3.140 -0.197 1.00 33.44 C ATOM 813 O ARG A 51 10.874 -2.993 -0.847 1.00 32.05 O ATOM 814 CB ARG A 51 8.234 -1.284 -0.971 1.00 70.53 C ATOM 815 CG ARG A 51 8.522 -0.391 0.274 1.00 2.54 C ATOM 816 CD ARG A 51 9.598 0.689 0.038 1.00 30.31 C ATOM 817 NE ARG A 51 10.963 0.123 -0.008 1.00 40.41 N ATOM 818 CZ ARG A 51 11.983 0.654 -0.651 1.00 43.40 C ATOM 819 NH1 ARG A 51 11.848 1.716 -1.381 1.00 32.45 N ATOM 820 NH2 ARG A 51 13.143 0.110 -0.545 1.00 31.43 N ATOM 0 H ARG A 51 6.798 -2.780 0.491 1.00 70.22 H new ATOM 0 HA ARG A 51 8.449 -3.262 -1.822 1.00 34.41 H new ATOM 0 HB2 ARG A 51 8.862 -0.932 -1.789 1.00 70.53 H new ATOM 0 HB3 ARG A 51 7.199 -1.119 -1.270 1.00 70.53 H new ATOM 0 HG2 ARG A 51 7.596 0.095 0.582 1.00 2.54 H new ATOM 0 HG3 ARG A 51 8.837 -1.028 1.100 1.00 2.54 H new ATOM 0 HD2 ARG A 51 9.390 1.207 -0.899 1.00 30.31 H new ATOM 0 HD3 ARG A 51 9.543 1.433 0.833 1.00 30.31 H new ATOM 0 HE ARG A 51 11.128 -0.747 0.498 1.00 40.41 H new ATOM 0 HH11 ARG A 51 10.935 2.162 -1.469 1.00 32.45 H new ATOM 0 HH12 ARG A 51 12.655 2.106 -1.868 1.00 32.45 H new ATOM 0 HH21 ARG A 51 13.265 -0.722 0.032 1.00 31.43 H new ATOM 0 HH22 ARG A 51 13.941 0.511 -1.038 1.00 31.43 H new ATOM 834 N GLU A 52 9.824 -3.557 1.080 1.00 11.54 N ATOM 835 CA GLU A 52 11.021 -4.039 1.804 1.00 33.31 C ATOM 836 C GLU A 52 11.179 -5.577 1.712 1.00 23.35 C ATOM 837 O GLU A 52 12.171 -6.122 2.217 1.00 21.14 O ATOM 838 CB GLU A 52 10.943 -3.592 3.288 1.00 54.24 C ATOM 839 CG GLU A 52 11.247 -2.098 3.533 1.00 31.25 C ATOM 840 CD GLU A 52 12.684 -1.709 3.139 1.00 11.30 C ATOM 841 OE1 GLU A 52 13.631 -2.109 3.854 1.00 61.13 O ATOM 842 OE2 GLU A 52 12.875 -1.023 2.113 1.00 52.31 O ATOM 0 H GLU A 52 8.977 -3.571 1.648 1.00 11.54 H new ATOM 0 HA GLU A 52 11.899 -3.599 1.331 1.00 33.31 H new ATOM 0 HB2 GLU A 52 9.945 -3.812 3.667 1.00 54.24 H new ATOM 0 HB3 GLU A 52 11.644 -4.191 3.870 1.00 54.24 H new ATOM 0 HG2 GLU A 52 10.542 -1.491 2.965 1.00 31.25 H new ATOM 0 HG3 GLU A 52 11.089 -1.868 4.587 1.00 31.25 H new ATOM 849 N ASP A 53 10.162 -6.257 1.119 1.00 12.43 N ATOM 850 CA ASP A 53 10.149 -7.728 0.865 1.00 61.22 C ATOM 851 C ASP A 53 10.188 -8.571 2.176 1.00 14.53 C ATOM 852 O ASP A 53 10.386 -9.790 2.136 1.00 10.15 O ATOM 853 CB ASP A 53 11.306 -8.140 -0.092 1.00 1.11 C ATOM 854 CG ASP A 53 11.316 -7.331 -1.400 1.00 22.04 C ATOM 855 OD1 ASP A 53 10.411 -7.527 -2.237 1.00 65.10 O ATOM 856 OD2 ASP A 53 12.233 -6.505 -1.603 1.00 43.10 O ATOM 0 H ASP A 53 9.312 -5.793 0.798 1.00 12.43 H new ATOM 0 HA ASP A 53 9.198 -7.948 0.380 1.00 61.22 H new ATOM 0 HB2 ASP A 53 12.259 -8.006 0.420 1.00 1.11 H new ATOM 0 HB3 ASP A 53 11.216 -9.201 -0.327 1.00 1.11 H new ATOM 861 N LYS A 54 9.947 -7.913 3.327 1.00 14.44 N ATOM 862 CA LYS A 54 10.063 -8.536 4.668 1.00 42.24 C ATOM 863 C LYS A 54 8.714 -9.066 5.202 1.00 33.32 C ATOM 864 O LYS A 54 8.596 -9.330 6.405 1.00 60.11 O ATOM 865 CB LYS A 54 10.717 -7.531 5.677 1.00 54.41 C ATOM 866 CG LYS A 54 12.264 -7.539 5.662 1.00 32.23 C ATOM 867 CD LYS A 54 12.893 -6.508 6.634 1.00 40.41 C ATOM 868 CE LYS A 54 12.796 -5.070 6.116 1.00 75.53 C ATOM 869 NZ LYS A 54 13.506 -4.913 4.816 1.00 41.10 N ATOM 0 H LYS A 54 9.666 -6.933 3.357 1.00 14.44 H new ATOM 0 HA LYS A 54 10.711 -9.407 4.564 1.00 42.24 H new ATOM 0 HB2 LYS A 54 10.367 -6.524 5.449 1.00 54.41 H new ATOM 0 HB3 LYS A 54 10.373 -7.768 6.684 1.00 54.41 H new ATOM 0 HG2 LYS A 54 12.618 -8.536 5.923 1.00 32.23 H new ATOM 0 HG3 LYS A 54 12.612 -7.332 4.650 1.00 32.23 H new ATOM 0 HD2 LYS A 54 12.395 -6.576 7.601 1.00 40.41 H new ATOM 0 HD3 LYS A 54 13.941 -6.761 6.797 1.00 40.41 H new ATOM 0 HE2 LYS A 54 11.748 -4.795 5.996 1.00 75.53 H new ATOM 0 HE3 LYS A 54 13.223 -4.387 6.851 1.00 75.53 H new ATOM 0 HZ1 LYS A 54 13.540 -3.906 4.558 1.00 41.10 H new ATOM 0 HZ2 LYS A 54 14.475 -5.281 4.903 1.00 41.10 H new ATOM 0 HZ3 LYS A 54 13.000 -5.443 4.078 1.00 41.10 H new ATOM 883 N VAL A 55 7.701 -9.232 4.319 1.00 31.01 N ATOM 884 CA VAL A 55 6.431 -9.925 4.683 1.00 42.44 C ATOM 885 C VAL A 55 5.907 -10.882 3.588 1.00 74.22 C ATOM 886 O VAL A 55 6.191 -10.729 2.393 1.00 54.41 O ATOM 887 CB VAL A 55 5.270 -8.923 5.041 1.00 21.24 C ATOM 888 CG1 VAL A 55 5.546 -8.175 6.361 1.00 64.15 C ATOM 889 CG2 VAL A 55 4.995 -7.940 3.881 1.00 44.23 C ATOM 0 H VAL A 55 7.732 -8.900 3.355 1.00 31.01 H new ATOM 0 HA VAL A 55 6.704 -10.509 5.562 1.00 42.44 H new ATOM 0 HB VAL A 55 4.368 -9.516 5.190 1.00 21.24 H new ATOM 0 HG11 VAL A 55 4.722 -7.494 6.572 1.00 64.15 H new ATOM 0 HG12 VAL A 55 5.640 -8.895 7.174 1.00 64.15 H new ATOM 0 HG13 VAL A 55 6.472 -7.607 6.271 1.00 64.15 H new ATOM 0 HG21 VAL A 55 4.188 -7.263 4.161 1.00 44.23 H new ATOM 0 HG22 VAL A 55 5.896 -7.364 3.671 1.00 44.23 H new ATOM 0 HG23 VAL A 55 4.706 -8.499 2.991 1.00 44.23 H new ATOM 899 N VAL A 56 5.143 -11.888 4.056 1.00 54.31 N ATOM 900 CA VAL A 56 4.255 -12.726 3.239 1.00 40.12 C ATOM 901 C VAL A 56 2.789 -12.437 3.646 1.00 62.51 C ATOM 902 O VAL A 56 2.439 -12.555 4.823 1.00 2.31 O ATOM 903 CB VAL A 56 4.568 -14.262 3.431 1.00 44.35 C ATOM 904 CG1 VAL A 56 3.706 -15.144 2.486 1.00 33.01 C ATOM 905 CG2 VAL A 56 6.078 -14.553 3.253 1.00 23.24 C ATOM 0 H VAL A 56 5.129 -12.145 5.043 1.00 54.31 H new ATOM 0 HA VAL A 56 4.416 -12.485 2.188 1.00 40.12 H new ATOM 0 HB VAL A 56 4.299 -14.525 4.454 1.00 44.35 H new ATOM 0 HG11 VAL A 56 3.949 -16.194 2.647 1.00 33.01 H new ATOM 0 HG12 VAL A 56 2.650 -14.979 2.698 1.00 33.01 H new ATOM 0 HG13 VAL A 56 3.914 -14.878 1.450 1.00 33.01 H new ATOM 0 HG21 VAL A 56 6.262 -15.618 3.391 1.00 23.24 H new ATOM 0 HG22 VAL A 56 6.390 -14.258 2.251 1.00 23.24 H new ATOM 0 HG23 VAL A 56 6.647 -13.988 3.991 1.00 23.24 H new ATOM 915 N THR A 57 1.937 -12.063 2.676 1.00 63.14 N ATOM 916 CA THR A 57 0.526 -11.671 2.938 1.00 13.34 C ATOM 917 C THR A 57 -0.464 -12.799 2.556 1.00 41.24 C ATOM 918 O THR A 57 -0.210 -13.596 1.641 1.00 42.34 O ATOM 919 CB THR A 57 0.151 -10.360 2.165 1.00 14.34 C ATOM 920 OG1 THR A 57 0.435 -10.517 0.761 1.00 1.11 O ATOM 921 CG2 THR A 57 0.911 -9.136 2.710 1.00 14.31 C ATOM 0 H THR A 57 2.197 -12.021 1.691 1.00 63.14 H new ATOM 0 HA THR A 57 0.444 -11.489 4.010 1.00 13.34 H new ATOM 0 HB THR A 57 -0.915 -10.187 2.311 1.00 14.34 H new ATOM 0 HG1 THR A 57 0.196 -9.694 0.285 1.00 1.11 H new ATOM 0 HG21 THR A 57 0.622 -8.248 2.147 1.00 14.31 H new ATOM 0 HG22 THR A 57 0.665 -8.994 3.762 1.00 14.31 H new ATOM 0 HG23 THR A 57 1.984 -9.298 2.607 1.00 14.31 H new ATOM 929 N SER A 58 -1.601 -12.830 3.272 1.00 14.04 N ATOM 930 CA SER A 58 -2.647 -13.876 3.147 1.00 32.34 C ATOM 931 C SER A 58 -4.004 -13.346 3.675 1.00 43.43 C ATOM 932 O SER A 58 -4.081 -12.241 4.220 1.00 1.54 O ATOM 933 CB SER A 58 -2.229 -15.151 3.928 1.00 25.22 C ATOM 934 OG SER A 58 -3.150 -16.216 3.723 1.00 33.22 O ATOM 0 H SER A 58 -1.829 -12.120 3.968 1.00 14.04 H new ATOM 0 HA SER A 58 -2.758 -14.132 2.093 1.00 32.34 H new ATOM 0 HB2 SER A 58 -1.234 -15.463 3.610 1.00 25.22 H new ATOM 0 HB3 SER A 58 -2.167 -14.923 4.992 1.00 25.22 H new ATOM 0 HG SER A 58 -2.857 -17.004 4.227 1.00 33.22 H new ATOM 940 N GLU A 59 -5.082 -14.126 3.491 1.00 31.15 N ATOM 941 CA GLU A 59 -6.434 -13.766 3.987 1.00 23.01 C ATOM 942 C GLU A 59 -6.984 -14.856 4.939 1.00 50.41 C ATOM 943 O GLU A 59 -7.073 -16.027 4.564 1.00 72.00 O ATOM 944 CB GLU A 59 -7.398 -13.566 2.787 1.00 14.35 C ATOM 945 CG GLU A 59 -8.845 -13.197 3.175 1.00 3.13 C ATOM 946 CD GLU A 59 -9.792 -13.169 1.965 1.00 40.30 C ATOM 947 OE1 GLU A 59 -10.260 -14.251 1.546 1.00 3.03 O ATOM 948 OE2 GLU A 59 -10.057 -12.083 1.417 1.00 31.32 O ATOM 0 H GLU A 59 -5.049 -15.019 2.999 1.00 31.15 H new ATOM 0 HA GLU A 59 -6.359 -12.834 4.548 1.00 23.01 H new ATOM 0 HB2 GLU A 59 -6.998 -12.782 2.144 1.00 14.35 H new ATOM 0 HB3 GLU A 59 -7.417 -14.483 2.198 1.00 14.35 H new ATOM 0 HG2 GLU A 59 -9.216 -13.916 3.906 1.00 3.13 H new ATOM 0 HG3 GLU A 59 -8.850 -12.220 3.658 1.00 3.13 H new ATOM 955 N VAL A 60 -7.339 -14.454 6.175 1.00 43.14 N ATOM 956 CA VAL A 60 -8.043 -15.317 7.156 1.00 64.43 C ATOM 957 C VAL A 60 -9.457 -14.753 7.446 1.00 30.22 C ATOM 958 O VAL A 60 -9.582 -13.666 8.009 1.00 71.24 O ATOM 959 CB VAL A 60 -7.216 -15.450 8.504 1.00 74.24 C ATOM 960 CG1 VAL A 60 -8.050 -16.072 9.655 1.00 23.32 C ATOM 961 CG2 VAL A 60 -5.928 -16.274 8.279 1.00 42.43 C ATOM 0 H VAL A 60 -7.146 -13.516 6.527 1.00 43.14 H new ATOM 0 HA VAL A 60 -8.139 -16.312 6.722 1.00 64.43 H new ATOM 0 HB VAL A 60 -6.948 -14.437 8.805 1.00 74.24 H new ATOM 0 HG11 VAL A 60 -7.436 -16.140 10.553 1.00 23.32 H new ATOM 0 HG12 VAL A 60 -8.918 -15.444 9.855 1.00 23.32 H new ATOM 0 HG13 VAL A 60 -8.382 -17.069 9.366 1.00 23.32 H new ATOM 0 HG21 VAL A 60 -5.377 -16.352 9.217 1.00 42.43 H new ATOM 0 HG22 VAL A 60 -6.191 -17.272 7.929 1.00 42.43 H new ATOM 0 HG23 VAL A 60 -5.306 -15.780 7.533 1.00 42.43 H new ATOM 971 N GLU A 61 -10.508 -15.512 7.045 1.00 11.22 N ATOM 972 CA GLU A 61 -11.939 -15.208 7.355 1.00 31.41 C ATOM 973 C GLU A 61 -12.393 -13.806 6.827 1.00 33.14 C ATOM 974 O GLU A 61 -13.215 -13.128 7.459 1.00 64.51 O ATOM 975 CB GLU A 61 -12.189 -15.350 8.896 1.00 62.22 C ATOM 976 CG GLU A 61 -11.738 -16.701 9.506 1.00 32.11 C ATOM 977 CD GLU A 61 -12.519 -17.915 8.977 1.00 63.24 C ATOM 978 OE1 GLU A 61 -13.694 -18.095 9.356 1.00 2.33 O ATOM 979 OE2 GLU A 61 -11.955 -18.703 8.186 1.00 20.10 O ATOM 0 H GLU A 61 -10.391 -16.361 6.492 1.00 11.22 H new ATOM 0 HA GLU A 61 -12.553 -15.936 6.825 1.00 31.41 H new ATOM 0 HB2 GLU A 61 -11.667 -14.543 9.410 1.00 62.22 H new ATOM 0 HB3 GLU A 61 -13.253 -15.217 9.091 1.00 62.22 H new ATOM 0 HG2 GLU A 61 -10.678 -16.846 9.300 1.00 32.11 H new ATOM 0 HG3 GLU A 61 -11.848 -16.654 10.589 1.00 32.11 H new ATOM 986 N GLY A 62 -11.863 -13.400 5.648 1.00 35.54 N ATOM 987 CA GLY A 62 -12.157 -12.075 5.056 1.00 30.24 C ATOM 988 C GLY A 62 -11.347 -10.919 5.667 1.00 62.40 C ATOM 989 O GLY A 62 -11.620 -9.746 5.393 1.00 21.40 O ATOM 0 H GLY A 62 -11.230 -13.972 5.089 1.00 35.54 H new ATOM 0 HA2 GLY A 62 -11.960 -12.116 3.985 1.00 30.24 H new ATOM 0 HA3 GLY A 62 -13.219 -11.863 5.176 1.00 30.24 H new ATOM 993 N GLU A 63 -10.348 -11.256 6.492 1.00 32.32 N ATOM 994 CA GLU A 63 -9.486 -10.274 7.194 1.00 25.55 C ATOM 995 C GLU A 63 -8.029 -10.368 6.676 1.00 13.44 C ATOM 996 O GLU A 63 -7.551 -11.463 6.353 1.00 62.41 O ATOM 997 CB GLU A 63 -9.556 -10.550 8.727 1.00 72.13 C ATOM 998 CG GLU A 63 -8.719 -9.609 9.616 1.00 54.44 C ATOM 999 CD GLU A 63 -9.124 -8.130 9.496 1.00 51.33 C ATOM 1000 OE1 GLU A 63 -10.169 -7.743 10.061 1.00 11.15 O ATOM 1001 OE2 GLU A 63 -8.410 -7.354 8.828 1.00 31.13 O ATOM 0 H GLU A 63 -10.106 -12.225 6.699 1.00 32.32 H new ATOM 0 HA GLU A 63 -9.840 -9.262 6.997 1.00 25.55 H new ATOM 0 HB2 GLU A 63 -10.598 -10.485 9.042 1.00 72.13 H new ATOM 0 HB3 GLU A 63 -9.231 -11.575 8.908 1.00 72.13 H new ATOM 0 HG2 GLU A 63 -8.818 -9.921 10.656 1.00 54.44 H new ATOM 0 HG3 GLU A 63 -7.667 -9.712 9.351 1.00 54.44 H new ATOM 1008 N ILE A 64 -7.330 -9.213 6.603 1.00 40.22 N ATOM 1009 CA ILE A 64 -5.924 -9.152 6.143 1.00 33.24 C ATOM 1010 C ILE A 64 -4.972 -9.778 7.198 1.00 23.12 C ATOM 1011 O ILE A 64 -4.728 -9.193 8.253 1.00 72.53 O ATOM 1012 CB ILE A 64 -5.477 -7.667 5.806 1.00 41.21 C ATOM 1013 CG1 ILE A 64 -6.331 -7.099 4.627 1.00 13.05 C ATOM 1014 CG2 ILE A 64 -3.956 -7.577 5.485 1.00 1.30 C ATOM 1015 CD1 ILE A 64 -6.039 -5.647 4.258 1.00 54.42 C ATOM 0 H ILE A 64 -7.720 -8.306 6.858 1.00 40.22 H new ATOM 0 HA ILE A 64 -5.859 -9.733 5.223 1.00 33.24 H new ATOM 0 HB ILE A 64 -5.653 -7.058 6.692 1.00 41.21 H new ATOM 0 HG12 ILE A 64 -6.167 -7.721 3.747 1.00 13.05 H new ATOM 0 HG13 ILE A 64 -7.386 -7.187 4.888 1.00 13.05 H new ATOM 0 HG21 ILE A 64 -3.692 -6.544 5.260 1.00 1.30 H new ATOM 0 HG22 ILE A 64 -3.382 -7.919 6.346 1.00 1.30 H new ATOM 0 HG23 ILE A 64 -3.728 -8.205 4.624 1.00 1.30 H new ATOM 0 HD11 ILE A 64 -6.681 -5.346 3.430 1.00 54.42 H new ATOM 0 HD12 ILE A 64 -6.232 -5.007 5.119 1.00 54.42 H new ATOM 0 HD13 ILE A 64 -4.995 -5.550 3.961 1.00 54.42 H new ATOM 1027 N PHE A 65 -4.466 -10.985 6.895 1.00 73.21 N ATOM 1028 CA PHE A 65 -3.451 -11.688 7.712 1.00 50.50 C ATOM 1029 C PHE A 65 -2.061 -11.517 7.065 1.00 24.11 C ATOM 1030 O PHE A 65 -1.924 -11.609 5.847 1.00 1.33 O ATOM 1031 CB PHE A 65 -3.805 -13.197 7.827 1.00 22.53 C ATOM 1032 CG PHE A 65 -2.814 -14.016 8.667 1.00 31.24 C ATOM 1033 CD1 PHE A 65 -2.896 -14.026 10.058 1.00 24.35 C ATOM 1034 CD2 PHE A 65 -1.790 -14.761 8.065 1.00 41.45 C ATOM 1035 CE1 PHE A 65 -1.997 -14.746 10.819 1.00 61.14 C ATOM 1036 CE2 PHE A 65 -0.890 -15.477 8.828 1.00 22.43 C ATOM 1037 CZ PHE A 65 -0.993 -15.471 10.205 1.00 60.23 C ATOM 0 H PHE A 65 -4.750 -11.510 6.068 1.00 73.21 H new ATOM 0 HA PHE A 65 -3.437 -11.258 8.714 1.00 50.50 H new ATOM 0 HB2 PHE A 65 -4.799 -13.293 8.263 1.00 22.53 H new ATOM 0 HB3 PHE A 65 -3.854 -13.624 6.825 1.00 22.53 H new ATOM 0 HD1 PHE A 65 -3.675 -13.462 10.549 1.00 24.35 H new ATOM 0 HD2 PHE A 65 -1.704 -14.775 6.988 1.00 41.45 H new ATOM 0 HE1 PHE A 65 -2.078 -14.743 11.896 1.00 61.14 H new ATOM 0 HE2 PHE A 65 -0.105 -16.042 8.348 1.00 22.43 H new ATOM 0 HZ PHE A 65 -0.290 -16.032 10.802 1.00 60.23 H new ATOM 1047 N VAL A 66 -1.035 -11.261 7.875 1.00 23.44 N ATOM 1048 CA VAL A 66 0.349 -11.125 7.381 1.00 61.50 C ATOM 1049 C VAL A 66 1.366 -11.779 8.354 1.00 23.24 C ATOM 1050 O VAL A 66 1.110 -11.876 9.556 1.00 75.13 O ATOM 1051 CB VAL A 66 0.681 -9.612 7.117 1.00 24.43 C ATOM 1052 CG1 VAL A 66 0.561 -8.763 8.406 1.00 51.14 C ATOM 1053 CG2 VAL A 66 2.061 -9.447 6.453 1.00 13.22 C ATOM 0 H VAL A 66 -1.130 -11.142 8.884 1.00 23.44 H new ATOM 0 HA VAL A 66 0.434 -11.660 6.435 1.00 61.50 H new ATOM 0 HB VAL A 66 -0.065 -9.234 6.417 1.00 24.43 H new ATOM 0 HG11 VAL A 66 0.799 -7.723 8.180 1.00 51.14 H new ATOM 0 HG12 VAL A 66 -0.457 -8.827 8.791 1.00 51.14 H new ATOM 0 HG13 VAL A 66 1.257 -9.140 9.156 1.00 51.14 H new ATOM 0 HG21 VAL A 66 2.259 -8.389 6.284 1.00 13.22 H new ATOM 0 HG22 VAL A 66 2.830 -9.861 7.105 1.00 13.22 H new ATOM 0 HG23 VAL A 66 2.071 -9.975 5.499 1.00 13.22 H new ATOM 1063 N LYS A 67 2.513 -12.238 7.815 1.00 23.33 N ATOM 1064 CA LYS A 67 3.619 -12.811 8.617 1.00 2.40 C ATOM 1065 C LYS A 67 4.970 -12.246 8.128 1.00 53.33 C ATOM 1066 O LYS A 67 5.120 -11.963 6.942 1.00 15.43 O ATOM 1067 CB LYS A 67 3.585 -14.359 8.515 1.00 31.34 C ATOM 1068 CG LYS A 67 3.710 -14.928 7.084 1.00 43.53 C ATOM 1069 CD LYS A 67 3.588 -16.477 7.001 1.00 44.24 C ATOM 1070 CE LYS A 67 4.760 -17.246 7.664 1.00 13.44 C ATOM 1071 NZ LYS A 67 4.709 -17.248 9.154 1.00 43.42 N ATOM 0 H LYS A 67 2.701 -12.223 6.813 1.00 23.33 H new ATOM 0 HA LYS A 67 3.498 -12.533 9.664 1.00 2.40 H new ATOM 0 HB2 LYS A 67 4.394 -14.765 9.122 1.00 31.34 H new ATOM 0 HB3 LYS A 67 2.651 -14.715 8.950 1.00 31.34 H new ATOM 0 HG2 LYS A 67 2.938 -14.480 6.458 1.00 43.53 H new ATOM 0 HG3 LYS A 67 4.672 -14.628 6.668 1.00 43.53 H new ATOM 0 HD2 LYS A 67 2.655 -16.782 7.474 1.00 44.24 H new ATOM 0 HD3 LYS A 67 3.524 -16.769 5.953 1.00 44.24 H new ATOM 0 HE2 LYS A 67 4.755 -18.276 7.308 1.00 13.44 H new ATOM 0 HE3 LYS A 67 5.702 -16.802 7.342 1.00 13.44 H new ATOM 0 HZ1 LYS A 67 5.497 -16.683 9.529 1.00 43.42 H new ATOM 0 HZ2 LYS A 67 3.807 -16.838 9.471 1.00 43.42 H new ATOM 0 HZ3 LYS A 67 4.787 -18.225 9.503 1.00 43.42 H new ATOM 1085 N LEU A 68 5.947 -12.065 9.034 1.00 4.43 N ATOM 1086 CA LEU A 68 7.260 -11.474 8.660 1.00 22.44 C ATOM 1087 C LEU A 68 8.229 -12.520 8.059 1.00 44.02 C ATOM 1088 O LEU A 68 8.343 -13.640 8.567 1.00 74.22 O ATOM 1089 CB LEU A 68 7.964 -10.816 9.877 1.00 53.14 C ATOM 1090 CG LEU A 68 7.176 -9.725 10.666 1.00 5.44 C ATOM 1091 CD1 LEU A 68 8.075 -9.076 11.732 1.00 64.11 C ATOM 1092 CD2 LEU A 68 6.560 -8.657 9.740 1.00 0.31 C ATOM 0 H LEU A 68 5.862 -12.313 10.020 1.00 4.43 H new ATOM 0 HA LEU A 68 7.031 -10.719 7.908 1.00 22.44 H new ATOM 0 HB2 LEU A 68 8.234 -11.607 10.577 1.00 53.14 H new ATOM 0 HB3 LEU A 68 8.894 -10.370 9.526 1.00 53.14 H new ATOM 0 HG LEU A 68 6.345 -10.225 11.164 1.00 5.44 H new ATOM 0 HD11 LEU A 68 7.509 -8.317 12.273 1.00 64.11 H new ATOM 0 HD12 LEU A 68 8.419 -9.838 12.431 1.00 64.11 H new ATOM 0 HD13 LEU A 68 8.935 -8.612 11.249 1.00 64.11 H new ATOM 0 HD21 LEU A 68 6.023 -7.922 10.339 1.00 0.31 H new ATOM 0 HD22 LEU A 68 7.352 -8.160 9.180 1.00 0.31 H new ATOM 0 HD23 LEU A 68 5.869 -9.133 9.045 1.00 0.31 H new ATOM 1104 N VAL A 69 8.919 -12.136 6.971 1.00 61.33 N ATOM 1105 CA VAL A 69 10.190 -12.774 6.568 1.00 30.54 C ATOM 1106 C VAL A 69 11.271 -12.364 7.603 1.00 52.14 C ATOM 1107 O VAL A 69 11.660 -11.187 7.664 1.00 44.32 O ATOM 1108 CB VAL A 69 10.619 -12.345 5.107 1.00 72.42 C ATOM 1109 CG1 VAL A 69 12.000 -12.938 4.712 1.00 72.11 C ATOM 1110 CG2 VAL A 69 9.528 -12.739 4.073 1.00 53.44 C ATOM 0 H VAL A 69 8.618 -11.384 6.351 1.00 61.33 H new ATOM 0 HA VAL A 69 10.069 -13.857 6.550 1.00 30.54 H new ATOM 0 HB VAL A 69 10.720 -11.260 5.102 1.00 72.42 H new ATOM 0 HG11 VAL A 69 12.257 -12.619 3.702 1.00 72.11 H new ATOM 0 HG12 VAL A 69 12.760 -12.585 5.409 1.00 72.11 H new ATOM 0 HG13 VAL A 69 11.952 -14.026 4.748 1.00 72.11 H new ATOM 0 HG21 VAL A 69 9.845 -12.434 3.076 1.00 53.44 H new ATOM 0 HG22 VAL A 69 9.381 -13.819 4.093 1.00 53.44 H new ATOM 0 HG23 VAL A 69 8.592 -12.241 4.324 1.00 53.44 H new ATOM 1120 N LEU A 70 11.680 -13.328 8.455 1.00 65.25 N ATOM 1121 CA LEU A 70 12.578 -13.067 9.607 1.00 42.11 C ATOM 1122 C LEU A 70 13.935 -12.432 9.170 1.00 3.11 C ATOM 1123 O LEU A 70 14.839 -13.104 8.660 1.00 4.31 O ATOM 1124 CB LEU A 70 12.789 -14.346 10.501 1.00 32.45 C ATOM 1125 CG LEU A 70 13.442 -15.623 9.843 1.00 3.22 C ATOM 1126 CD1 LEU A 70 13.950 -16.605 10.919 1.00 3.32 C ATOM 1127 CD2 LEU A 70 12.470 -16.354 8.891 1.00 63.21 C ATOM 0 H LEU A 70 11.400 -14.305 8.367 1.00 65.25 H new ATOM 0 HA LEU A 70 12.072 -12.328 10.228 1.00 42.11 H new ATOM 0 HB2 LEU A 70 13.407 -14.058 11.351 1.00 32.45 H new ATOM 0 HB3 LEU A 70 11.817 -14.638 10.898 1.00 32.45 H new ATOM 0 HG LEU A 70 14.287 -15.267 9.253 1.00 3.22 H new ATOM 0 HD11 LEU A 70 14.395 -17.475 10.436 1.00 3.32 H new ATOM 0 HD12 LEU A 70 14.699 -16.111 11.538 1.00 3.32 H new ATOM 0 HD13 LEU A 70 13.116 -16.924 11.544 1.00 3.32 H new ATOM 0 HD21 LEU A 70 12.966 -17.225 8.463 1.00 63.21 H new ATOM 0 HD22 LEU A 70 11.589 -16.674 9.447 1.00 63.21 H new ATOM 0 HD23 LEU A 70 12.169 -15.679 8.090 1.00 63.21 H new ATOM 1139 N GLU A 71 14.011 -11.098 9.317 1.00 55.11 N ATOM 1140 CA GLU A 71 15.231 -10.297 9.063 1.00 13.51 C ATOM 1141 C GLU A 71 16.130 -10.285 10.324 1.00 71.21 C ATOM 1142 O GLU A 71 15.645 -10.501 11.445 1.00 4.11 O ATOM 1143 CB GLU A 71 14.807 -8.846 8.685 1.00 75.11 C ATOM 1144 CG GLU A 71 15.949 -7.855 8.339 1.00 3.42 C ATOM 1145 CD GLU A 71 16.717 -8.215 7.054 1.00 14.42 C ATOM 1146 OE1 GLU A 71 16.183 -7.965 5.946 1.00 74.22 O ATOM 1147 OE2 GLU A 71 17.855 -8.746 7.141 1.00 5.03 O ATOM 0 H GLU A 71 13.217 -10.533 9.620 1.00 55.11 H new ATOM 0 HA GLU A 71 15.799 -10.736 8.243 1.00 13.51 H new ATOM 0 HB2 GLU A 71 14.133 -8.900 7.830 1.00 75.11 H new ATOM 0 HB3 GLU A 71 14.236 -8.431 9.516 1.00 75.11 H new ATOM 0 HG2 GLU A 71 15.529 -6.855 8.232 1.00 3.42 H new ATOM 0 HG3 GLU A 71 16.651 -7.819 9.172 1.00 3.42 H new ATOM 1154 N HIS A 72 17.435 -10.031 10.134 1.00 42.00 N ATOM 1155 CA HIS A 72 18.383 -9.829 11.253 1.00 72.11 C ATOM 1156 C HIS A 72 18.086 -8.502 12.008 1.00 74.14 C ATOM 1157 O HIS A 72 17.452 -7.590 11.461 1.00 31.42 O ATOM 1158 CB HIS A 72 19.845 -9.828 10.723 1.00 70.22 C ATOM 1159 CG HIS A 72 20.314 -11.144 10.148 1.00 50.05 C ATOM 1160 ND1 HIS A 72 21.427 -11.250 9.342 1.00 4.50 N ATOM 1161 CD2 HIS A 72 19.852 -12.412 10.300 1.00 35.02 C ATOM 1162 CE1 HIS A 72 21.632 -12.508 9.026 1.00 62.32 C ATOM 1163 NE2 HIS A 72 20.694 -13.235 9.593 1.00 75.00 N ATOM 0 H HIS A 72 17.864 -9.959 9.211 1.00 42.00 H new ATOM 0 HA HIS A 72 18.258 -10.653 11.955 1.00 72.11 H new ATOM 0 HB2 HIS A 72 19.937 -9.059 9.956 1.00 70.22 H new ATOM 0 HB3 HIS A 72 20.511 -9.546 11.538 1.00 70.22 H new ATOM 0 HD2 HIS A 72 18.986 -12.716 10.869 1.00 35.02 H new ATOM 0 HE1 HIS A 72 22.434 -12.882 8.406 1.00 62.32 H new ATOM 0 HE2 HIS A 72 20.606 -14.249 9.519 1.00 75.00 H new ATOM 1172 N HIS A 73 18.561 -8.406 13.269 1.00 43.41 N ATOM 1173 CA HIS A 73 18.427 -7.174 14.097 1.00 4.02 C ATOM 1174 C HIS A 73 19.217 -5.988 13.478 1.00 23.54 C ATOM 1175 O HIS A 73 18.905 -4.819 13.726 1.00 43.15 O ATOM 1176 CB HIS A 73 18.883 -7.453 15.555 1.00 3.14 C ATOM 1177 CG HIS A 73 17.967 -8.400 16.301 1.00 3.41 C ATOM 1178 ND1 HIS A 73 17.188 -8.012 17.371 1.00 33.10 N ATOM 1179 CD2 HIS A 73 17.704 -9.719 16.121 1.00 32.15 C ATOM 1180 CE1 HIS A 73 16.490 -9.039 17.809 1.00 22.24 C ATOM 1181 NE2 HIS A 73 16.785 -10.084 17.072 1.00 74.32 N ATOM 0 H HIS A 73 19.044 -9.169 13.743 1.00 43.41 H new ATOM 0 HA HIS A 73 17.375 -6.888 14.115 1.00 4.02 H new ATOM 0 HB2 HIS A 73 19.890 -7.870 15.539 1.00 3.14 H new ATOM 0 HB3 HIS A 73 18.937 -6.509 16.098 1.00 3.14 H new ATOM 0 HD2 HIS A 73 18.137 -10.362 15.369 1.00 32.15 H new ATOM 0 HE1 HIS A 73 15.793 -9.024 18.634 1.00 22.24 H new ATOM 0 HE2 HIS A 73 16.393 -11.019 17.188 1.00 74.32 H new ATOM 1190 N HIS A 74 20.242 -6.316 12.675 1.00 24.44 N ATOM 1191 CA HIS A 74 20.904 -5.356 11.775 1.00 4.32 C ATOM 1192 C HIS A 74 20.299 -5.495 10.352 1.00 3.23 C ATOM 1193 O HIS A 74 20.748 -6.319 9.548 1.00 53.31 O ATOM 1194 CB HIS A 74 22.440 -5.586 11.758 1.00 20.51 C ATOM 1195 CG HIS A 74 23.103 -5.376 13.097 1.00 4.02 C ATOM 1196 ND1 HIS A 74 23.749 -4.211 13.444 1.00 0.32 N ATOM 1197 CD2 HIS A 74 23.215 -6.189 14.172 1.00 22.15 C ATOM 1198 CE1 HIS A 74 24.226 -4.318 14.666 1.00 72.31 C ATOM 1199 NE2 HIS A 74 23.915 -5.504 15.132 1.00 63.31 N ATOM 0 H HIS A 74 20.636 -7.256 12.631 1.00 24.44 H new ATOM 0 HA HIS A 74 20.733 -4.342 12.136 1.00 4.32 H new ATOM 0 HB2 HIS A 74 22.642 -6.602 11.419 1.00 20.51 H new ATOM 0 HB3 HIS A 74 22.891 -4.911 11.030 1.00 20.51 H new ATOM 0 HD2 HIS A 74 22.825 -7.192 14.258 1.00 22.15 H new ATOM 0 HE1 HIS A 74 24.780 -3.557 15.196 1.00 72.31 H new ATOM 0 HE2 HIS A 74 24.155 -5.859 16.058 1.00 63.31 H new ATOM 1208 N HIS A 75 19.238 -4.710 10.085 1.00 73.24 N ATOM 1209 CA HIS A 75 18.537 -4.682 8.772 1.00 72.22 C ATOM 1210 C HIS A 75 19.400 -4.040 7.654 1.00 11.35 C ATOM 1211 O HIS A 75 20.476 -3.492 7.910 1.00 60.54 O ATOM 1212 CB HIS A 75 17.194 -3.913 8.908 1.00 12.04 C ATOM 1213 CG HIS A 75 17.351 -2.482 9.376 1.00 21.43 C ATOM 1214 ND1 HIS A 75 17.531 -1.419 8.513 1.00 24.00 N ATOM 1215 CD2 HIS A 75 17.385 -1.950 10.624 1.00 21.30 C ATOM 1216 CE1 HIS A 75 17.670 -0.308 9.205 1.00 63.14 C ATOM 1217 NE2 HIS A 75 17.586 -0.602 10.482 1.00 74.30 N ATOM 0 H HIS A 75 18.836 -4.072 10.772 1.00 73.24 H new ATOM 0 HA HIS A 75 18.348 -5.716 8.483 1.00 72.22 H new ATOM 0 HB2 HIS A 75 16.686 -3.916 7.944 1.00 12.04 H new ATOM 0 HB3 HIS A 75 16.551 -4.446 9.609 1.00 12.04 H new ATOM 0 HD1 HIS A 75 17.553 -1.485 7.495 1.00 24.00 H new ATOM 0 HD2 HIS A 75 17.274 -2.488 11.554 1.00 21.30 H new ATOM 0 HE1 HIS A 75 17.827 0.678 8.793 1.00 63.14 H new ATOM 1226 N HIS A 76 18.891 -4.089 6.411 1.00 30.21 N ATOM 1227 CA HIS A 76 19.554 -3.467 5.235 1.00 73.13 C ATOM 1228 C HIS A 76 19.112 -1.990 5.085 1.00 23.43 C ATOM 1229 O HIS A 76 18.040 -1.609 5.563 1.00 21.53 O ATOM 1230 CB HIS A 76 19.222 -4.276 3.957 1.00 40.31 C ATOM 1231 CG HIS A 76 19.501 -5.746 4.101 1.00 30.21 C ATOM 1232 ND1 HIS A 76 20.768 -6.255 4.261 1.00 40.32 N ATOM 1233 CD2 HIS A 76 18.664 -6.809 4.159 1.00 4.01 C ATOM 1234 CE1 HIS A 76 20.700 -7.561 4.410 1.00 15.53 C ATOM 1235 NE2 HIS A 76 19.437 -7.922 4.354 1.00 4.53 N ATOM 0 H HIS A 76 18.013 -4.557 6.186 1.00 30.21 H new ATOM 0 HA HIS A 76 20.634 -3.481 5.384 1.00 73.13 H new ATOM 0 HB2 HIS A 76 18.170 -4.135 3.708 1.00 40.31 H new ATOM 0 HB3 HIS A 76 19.803 -3.882 3.123 1.00 40.31 H new ATOM 0 HD2 HIS A 76 17.588 -6.784 4.068 1.00 4.01 H new ATOM 0 HE1 HIS A 76 21.540 -8.224 4.554 1.00 15.53 H new ATOM 0 HE2 HIS A 76 19.089 -8.877 4.442 1.00 4.53 H new ATOM 1244 N HIS A 77 19.942 -1.154 4.436 1.00 23.14 N ATOM 1245 CA HIS A 77 19.649 0.295 4.265 1.00 44.21 C ATOM 1246 C HIS A 77 19.227 0.602 2.814 1.00 1.21 C ATOM 1247 O HIS A 77 19.991 0.386 1.864 1.00 71.32 O ATOM 1248 CB HIS A 77 20.886 1.139 4.689 1.00 63.22 C ATOM 1249 CG HIS A 77 20.633 2.630 4.790 1.00 23.44 C ATOM 1250 ND1 HIS A 77 20.721 3.476 3.708 1.00 24.54 N ATOM 1251 CD2 HIS A 77 20.286 3.420 5.842 1.00 30.11 C ATOM 1252 CE1 HIS A 77 20.442 4.704 4.078 1.00 34.42 C ATOM 1253 NE2 HIS A 77 20.174 4.703 5.364 1.00 1.34 N ATOM 0 H HIS A 77 20.824 -1.450 4.018 1.00 23.14 H new ATOM 0 HA HIS A 77 18.813 0.566 4.910 1.00 44.21 H new ATOM 0 HB2 HIS A 77 21.241 0.779 5.655 1.00 63.22 H new ATOM 0 HB3 HIS A 77 21.688 0.969 3.971 1.00 63.22 H new ATOM 0 HD2 HIS A 77 20.128 3.099 6.861 1.00 30.11 H new ATOM 0 HE1 HIS A 77 20.434 5.570 3.433 1.00 34.42 H new ATOM 0 HE2 HIS A 77 19.923 5.522 5.918 1.00 1.34 H new TER 1262 HIS A 77 ATOM 1263 N MET B 1 4.878 -15.824 -10.171 1.00 1.41 N ATOM 1264 CA MET B 1 3.625 -15.930 -10.920 1.00 42.20 C ATOM 1265 C MET B 1 2.399 -15.877 -9.974 1.00 1.04 C ATOM 1266 O MET B 1 1.569 -14.961 -10.055 1.00 63.44 O ATOM 1267 CB MET B 1 3.611 -17.239 -11.763 1.00 34.10 C ATOM 1268 CG MET B 1 4.673 -17.292 -12.871 1.00 30.42 C ATOM 1269 SD MET B 1 4.485 -15.958 -14.082 1.00 42.24 S ATOM 1270 CE MET B 1 2.850 -16.283 -14.755 1.00 53.35 C ATOM 0 H1 MET B 1 5.450 -15.047 -10.559 1.00 1.41 H new ATOM 0 H2 MET B 1 4.669 -15.634 -9.170 1.00 1.41 H new ATOM 0 H3 MET B 1 5.407 -16.716 -10.251 1.00 1.41 H new ATOM 0 HA MET B 1 3.560 -15.077 -11.595 1.00 42.20 H new ATOM 0 HB2 MET B 1 3.757 -18.088 -11.095 1.00 34.10 H new ATOM 0 HB3 MET B 1 2.626 -17.355 -12.215 1.00 34.10 H new ATOM 0 HG2 MET B 1 5.664 -17.233 -12.422 1.00 30.42 H new ATOM 0 HG3 MET B 1 4.612 -18.253 -13.382 1.00 30.42 H new ATOM 0 HE1 MET B 1 2.717 -15.717 -15.677 1.00 53.35 H new ATOM 0 HE2 MET B 1 2.748 -17.348 -14.965 1.00 53.35 H new ATOM 0 HE3 MET B 1 2.092 -15.981 -14.032 1.00 53.35 H new ATOM 1280 N LYS B 2 2.310 -16.868 -9.075 1.00 74.13 N ATOM 1281 CA LYS B 2 1.165 -17.047 -8.150 1.00 73.21 C ATOM 1282 C LYS B 2 1.219 -16.067 -6.947 1.00 62.50 C ATOM 1283 O LYS B 2 0.173 -15.681 -6.402 1.00 2.31 O ATOM 1284 CB LYS B 2 1.145 -18.518 -7.647 1.00 64.44 C ATOM 1285 CG LYS B 2 -0.076 -18.899 -6.772 1.00 42.44 C ATOM 1286 CD LYS B 2 0.009 -20.343 -6.223 1.00 63.53 C ATOM 1287 CE LYS B 2 0.060 -21.419 -7.330 1.00 62.15 C ATOM 1288 NZ LYS B 2 0.115 -22.793 -6.763 1.00 61.11 N ATOM 0 H LYS B 2 3.034 -17.578 -8.963 1.00 74.13 H new ATOM 0 HA LYS B 2 0.249 -16.823 -8.697 1.00 73.21 H new ATOM 0 HB2 LYS B 2 1.173 -19.181 -8.512 1.00 64.44 H new ATOM 0 HB3 LYS B 2 2.054 -18.702 -7.074 1.00 64.44 H new ATOM 0 HG2 LYS B 2 -0.152 -18.202 -5.938 1.00 42.44 H new ATOM 0 HG3 LYS B 2 -0.987 -18.792 -7.361 1.00 42.44 H new ATOM 0 HD2 LYS B 2 0.897 -20.434 -5.597 1.00 63.53 H new ATOM 0 HD3 LYS B 2 -0.853 -20.532 -5.583 1.00 63.53 H new ATOM 0 HE2 LYS B 2 -0.818 -21.325 -7.969 1.00 62.15 H new ATOM 0 HE3 LYS B 2 0.933 -21.251 -7.960 1.00 62.15 H new ATOM 0 HZ1 LYS B 2 0.148 -23.487 -7.537 1.00 61.11 H new ATOM 0 HZ2 LYS B 2 0.966 -22.891 -6.173 1.00 61.11 H new ATOM 0 HZ3 LYS B 2 -0.731 -22.963 -6.182 1.00 61.11 H new ATOM 1302 N MET B 3 2.450 -15.680 -6.544 1.00 54.21 N ATOM 1303 CA MET B 3 2.689 -14.821 -5.355 1.00 24.32 C ATOM 1304 C MET B 3 1.953 -13.453 -5.419 1.00 32.23 C ATOM 1305 O MET B 3 1.875 -12.817 -6.475 1.00 61.02 O ATOM 1306 CB MET B 3 4.214 -14.600 -5.145 1.00 50.44 C ATOM 1307 CG MET B 3 4.979 -15.866 -4.722 1.00 63.22 C ATOM 1308 SD MET B 3 4.326 -16.616 -3.206 1.00 20.13 S ATOM 1309 CE MET B 3 4.599 -15.326 -1.986 1.00 62.30 C ATOM 0 H MET B 3 3.305 -15.951 -7.030 1.00 54.21 H new ATOM 0 HA MET B 3 2.271 -15.357 -4.503 1.00 24.32 H new ATOM 0 HB2 MET B 3 4.646 -14.219 -6.071 1.00 50.44 H new ATOM 0 HB3 MET B 3 4.358 -13.831 -4.386 1.00 50.44 H new ATOM 0 HG2 MET B 3 4.936 -16.597 -5.530 1.00 63.22 H new ATOM 0 HG3 MET B 3 6.030 -15.616 -4.574 1.00 63.22 H new ATOM 0 HE1 MET B 3 4.408 -15.722 -0.989 1.00 62.30 H new ATOM 0 HE2 MET B 3 5.631 -14.979 -2.048 1.00 62.30 H new ATOM 0 HE3 MET B 3 3.924 -14.493 -2.181 1.00 62.30 H new ATOM 1319 N LEU B 4 1.441 -13.008 -4.247 1.00 70.22 N ATOM 1320 CA LEU B 4 0.706 -11.723 -4.102 1.00 33.14 C ATOM 1321 C LEU B 4 1.623 -10.497 -4.376 1.00 73.52 C ATOM 1322 O LEU B 4 1.135 -9.389 -4.614 1.00 64.15 O ATOM 1323 CB LEU B 4 0.043 -11.612 -2.688 1.00 24.53 C ATOM 1324 CG LEU B 4 -1.128 -12.616 -2.363 1.00 42.23 C ATOM 1325 CD1 LEU B 4 -0.634 -14.074 -2.188 1.00 44.40 C ATOM 1326 CD2 LEU B 4 -1.926 -12.153 -1.118 1.00 31.23 C ATOM 0 H LEU B 4 1.524 -13.528 -3.373 1.00 70.22 H new ATOM 0 HA LEU B 4 -0.083 -11.717 -4.854 1.00 33.14 H new ATOM 0 HB2 LEU B 4 0.822 -11.747 -1.938 1.00 24.53 H new ATOM 0 HB3 LEU B 4 -0.339 -10.598 -2.572 1.00 24.53 H new ATOM 0 HG LEU B 4 -1.793 -12.609 -3.227 1.00 42.23 H new ATOM 0 HD11 LEU B 4 -1.482 -14.721 -1.966 1.00 44.40 H new ATOM 0 HD12 LEU B 4 -0.154 -14.408 -3.108 1.00 44.40 H new ATOM 0 HD13 LEU B 4 0.082 -14.120 -1.367 1.00 44.40 H new ATOM 0 HD21 LEU B 4 -2.728 -12.863 -0.915 1.00 31.23 H new ATOM 0 HD22 LEU B 4 -1.260 -12.103 -0.257 1.00 31.23 H new ATOM 0 HD23 LEU B 4 -2.352 -11.167 -1.305 1.00 31.23 H new ATOM 1338 N LYS B 5 2.951 -10.724 -4.340 1.00 54.14 N ATOM 1339 CA LYS B 5 3.967 -9.734 -4.757 1.00 62.21 C ATOM 1340 C LYS B 5 3.921 -9.495 -6.289 1.00 15.11 C ATOM 1341 O LYS B 5 4.008 -8.354 -6.757 1.00 55.24 O ATOM 1342 CB LYS B 5 5.374 -10.237 -4.357 1.00 72.41 C ATOM 1343 CG LYS B 5 6.513 -9.245 -4.680 1.00 23.54 C ATOM 1344 CD LYS B 5 7.909 -9.721 -4.232 1.00 74.11 C ATOM 1345 CE LYS B 5 8.042 -9.862 -2.708 1.00 31.43 C ATOM 1346 NZ LYS B 5 9.411 -10.283 -2.323 1.00 33.15 N ATOM 0 H LYS B 5 3.353 -11.605 -4.019 1.00 54.14 H new ATOM 0 HA LYS B 5 3.751 -8.791 -4.255 1.00 62.21 H new ATOM 0 HB2 LYS B 5 5.382 -10.448 -3.288 1.00 72.41 H new ATOM 0 HB3 LYS B 5 5.571 -11.179 -4.869 1.00 72.41 H new ATOM 0 HG2 LYS B 5 6.530 -9.066 -5.755 1.00 23.54 H new ATOM 0 HG3 LYS B 5 6.295 -8.290 -4.201 1.00 23.54 H new ATOM 0 HD2 LYS B 5 8.125 -10.682 -4.699 1.00 74.11 H new ATOM 0 HD3 LYS B 5 8.659 -9.016 -4.592 1.00 74.11 H new ATOM 0 HE2 LYS B 5 7.804 -8.911 -2.231 1.00 31.43 H new ATOM 0 HE3 LYS B 5 7.319 -10.592 -2.344 1.00 31.43 H new ATOM 0 HZ1 LYS B 5 9.379 -10.768 -1.404 1.00 33.15 H new ATOM 0 HZ2 LYS B 5 9.791 -10.930 -3.043 1.00 33.15 H new ATOM 0 HZ3 LYS B 5 10.024 -9.446 -2.252 1.00 33.15 H new ATOM 1360 N GLU B 6 3.799 -10.600 -7.053 1.00 75.30 N ATOM 1361 CA GLU B 6 3.689 -10.557 -8.530 1.00 63.22 C ATOM 1362 C GLU B 6 2.331 -9.952 -8.965 1.00 74.15 C ATOM 1363 O GLU B 6 2.230 -9.284 -9.999 1.00 40.30 O ATOM 1364 CB GLU B 6 3.859 -11.980 -9.135 1.00 23.21 C ATOM 1365 CG GLU B 6 5.171 -12.700 -8.752 1.00 53.11 C ATOM 1366 CD GLU B 6 6.440 -11.929 -9.167 1.00 15.43 C ATOM 1367 OE1 GLU B 6 6.851 -12.026 -10.348 1.00 33.12 O ATOM 1368 OE2 GLU B 6 7.034 -11.221 -8.317 1.00 41.42 O ATOM 0 H GLU B 6 3.774 -11.544 -6.668 1.00 75.30 H new ATOM 0 HA GLU B 6 4.488 -9.919 -8.907 1.00 63.22 H new ATOM 0 HB2 GLU B 6 3.018 -12.596 -8.817 1.00 23.21 H new ATOM 0 HB3 GLU B 6 3.807 -11.905 -10.221 1.00 23.21 H new ATOM 0 HG2 GLU B 6 5.188 -12.858 -7.674 1.00 53.11 H new ATOM 0 HG3 GLU B 6 5.185 -13.685 -9.219 1.00 53.11 H new ATOM 1375 N LYS B 7 1.296 -10.220 -8.145 1.00 62.53 N ATOM 1376 CA LYS B 7 -0.049 -9.615 -8.272 1.00 44.33 C ATOM 1377 C LYS B 7 0.028 -8.075 -8.051 1.00 34.21 C ATOM 1378 O LYS B 7 -0.574 -7.304 -8.800 1.00 21.14 O ATOM 1379 CB LYS B 7 -1.004 -10.337 -7.259 1.00 32.54 C ATOM 1380 CG LYS B 7 -2.496 -9.889 -7.225 1.00 1.14 C ATOM 1381 CD LYS B 7 -2.767 -8.693 -6.274 1.00 10.02 C ATOM 1382 CE LYS B 7 -4.264 -8.382 -6.110 1.00 43.42 C ATOM 1383 NZ LYS B 7 -4.916 -7.988 -7.391 1.00 2.15 N ATOM 0 H LYS B 7 1.370 -10.872 -7.364 1.00 62.53 H new ATOM 0 HA LYS B 7 -0.450 -9.752 -9.276 1.00 44.33 H new ATOM 0 HB2 LYS B 7 -0.979 -11.405 -7.477 1.00 32.54 H new ATOM 0 HB3 LYS B 7 -0.592 -10.207 -6.258 1.00 32.54 H new ATOM 0 HG2 LYS B 7 -2.808 -9.618 -8.234 1.00 1.14 H new ATOM 0 HG3 LYS B 7 -3.113 -10.733 -6.917 1.00 1.14 H new ATOM 0 HD2 LYS B 7 -2.337 -8.909 -5.296 1.00 10.02 H new ATOM 0 HD3 LYS B 7 -2.258 -7.809 -6.657 1.00 10.02 H new ATOM 0 HE2 LYS B 7 -4.770 -9.258 -5.705 1.00 43.42 H new ATOM 0 HE3 LYS B 7 -4.386 -7.579 -5.383 1.00 43.42 H new ATOM 0 HZ1 LYS B 7 -5.547 -7.178 -7.225 1.00 2.15 H new ATOM 0 HZ2 LYS B 7 -4.187 -7.723 -8.084 1.00 2.15 H new ATOM 0 HZ3 LYS B 7 -5.470 -8.788 -7.759 1.00 2.15 H new ATOM 1397 N ALA B 8 0.787 -7.653 -7.013 1.00 51.50 N ATOM 1398 CA ALA B 8 1.078 -6.217 -6.733 1.00 15.50 C ATOM 1399 C ALA B 8 1.841 -5.543 -7.905 1.00 52.44 C ATOM 1400 O ALA B 8 1.620 -4.365 -8.210 1.00 53.53 O ATOM 1401 CB ALA B 8 1.878 -6.077 -5.428 1.00 13.21 C ATOM 0 H ALA B 8 1.217 -8.292 -6.344 1.00 51.50 H new ATOM 0 HA ALA B 8 0.122 -5.705 -6.623 1.00 15.50 H new ATOM 0 HB1 ALA B 8 2.082 -5.023 -5.238 1.00 13.21 H new ATOM 0 HB2 ALA B 8 1.300 -6.490 -4.601 1.00 13.21 H new ATOM 0 HB3 ALA B 8 2.820 -6.619 -5.519 1.00 13.21 H new ATOM 1407 N GLY B 9 2.742 -6.320 -8.547 1.00 5.25 N ATOM 1408 CA GLY B 9 3.464 -5.877 -9.748 1.00 55.43 C ATOM 1409 C GLY B 9 2.562 -5.730 -10.983 1.00 74.32 C ATOM 1410 O GLY B 9 2.776 -4.840 -11.818 1.00 12.43 O ATOM 0 H GLY B 9 2.984 -7.264 -8.245 1.00 5.25 H new ATOM 0 HA2 GLY B 9 3.944 -4.920 -9.542 1.00 55.43 H new ATOM 0 HA3 GLY B 9 4.258 -6.591 -9.970 1.00 55.43 H new ATOM 1414 N ALA B 10 1.548 -6.612 -11.092 1.00 4.30 N ATOM 1415 CA ALA B 10 0.523 -6.546 -12.162 1.00 4.05 C ATOM 1416 C ALA B 10 -0.333 -5.260 -12.033 1.00 73.01 C ATOM 1417 O ALA B 10 -0.691 -4.625 -13.035 1.00 31.54 O ATOM 1418 CB ALA B 10 -0.377 -7.791 -12.125 1.00 45.00 C ATOM 0 H ALA B 10 1.414 -7.389 -10.445 1.00 4.30 H new ATOM 0 HA ALA B 10 1.040 -6.517 -13.121 1.00 4.05 H new ATOM 0 HB1 ALA B 10 -1.123 -7.725 -12.917 1.00 45.00 H new ATOM 0 HB2 ALA B 10 0.231 -8.684 -12.273 1.00 45.00 H new ATOM 0 HB3 ALA B 10 -0.878 -7.849 -11.159 1.00 45.00 H new ATOM 1424 N LEU B 11 -0.637 -4.896 -10.772 1.00 41.11 N ATOM 1425 CA LEU B 11 -1.336 -3.643 -10.425 1.00 4.31 C ATOM 1426 C LEU B 11 -0.456 -2.410 -10.743 1.00 61.54 C ATOM 1427 O LEU B 11 -0.943 -1.421 -11.280 1.00 21.21 O ATOM 1428 CB LEU B 11 -1.723 -3.663 -8.924 1.00 61.42 C ATOM 1429 CG LEU B 11 -2.638 -4.848 -8.480 1.00 73.51 C ATOM 1430 CD1 LEU B 11 -2.792 -4.896 -6.950 1.00 51.22 C ATOM 1431 CD2 LEU B 11 -4.010 -4.790 -9.187 1.00 43.31 C ATOM 0 H LEU B 11 -0.403 -5.467 -9.960 1.00 41.11 H new ATOM 0 HA LEU B 11 -2.241 -3.569 -11.028 1.00 4.31 H new ATOM 0 HB2 LEU B 11 -0.808 -3.692 -8.332 1.00 61.42 H new ATOM 0 HB3 LEU B 11 -2.229 -2.727 -8.685 1.00 61.42 H new ATOM 0 HG LEU B 11 -2.151 -5.774 -8.785 1.00 73.51 H new ATOM 0 HD11 LEU B 11 -3.435 -5.732 -6.675 1.00 51.22 H new ATOM 0 HD12 LEU B 11 -1.812 -5.025 -6.490 1.00 51.22 H new ATOM 0 HD13 LEU B 11 -3.238 -3.965 -6.600 1.00 51.22 H new ATOM 0 HD21 LEU B 11 -4.625 -5.628 -8.858 1.00 43.31 H new ATOM 0 HD22 LEU B 11 -4.509 -3.854 -8.937 1.00 43.31 H new ATOM 0 HD23 LEU B 11 -3.866 -4.848 -10.266 1.00 43.31 H new ATOM 1443 N ALA B 12 0.850 -2.512 -10.433 1.00 72.24 N ATOM 1444 CA ALA B 12 1.835 -1.420 -10.652 1.00 32.12 C ATOM 1445 C ALA B 12 1.897 -0.955 -12.128 1.00 44.43 C ATOM 1446 O ALA B 12 1.882 0.248 -12.408 1.00 12.44 O ATOM 1447 CB ALA B 12 3.228 -1.866 -10.184 1.00 24.01 C ATOM 0 H ALA B 12 1.259 -3.352 -10.023 1.00 72.24 H new ATOM 0 HA ALA B 12 1.500 -0.567 -10.062 1.00 32.12 H new ATOM 0 HB1 ALA B 12 3.943 -1.060 -10.348 1.00 24.01 H new ATOM 0 HB2 ALA B 12 3.194 -2.110 -9.122 1.00 24.01 H new ATOM 0 HB3 ALA B 12 3.537 -2.746 -10.749 1.00 24.01 H new ATOM 1453 N GLY B 13 1.951 -1.936 -13.051 1.00 35.01 N ATOM 1454 CA GLY B 13 2.024 -1.666 -14.495 1.00 33.21 C ATOM 1455 C GLY B 13 0.825 -0.889 -15.055 1.00 60.02 C ATOM 1456 O GLY B 13 0.999 0.155 -15.689 1.00 25.30 O ATOM 0 H GLY B 13 1.945 -2.929 -12.816 1.00 35.01 H new ATOM 0 HA2 GLY B 13 2.935 -1.104 -14.702 1.00 33.21 H new ATOM 0 HA3 GLY B 13 2.107 -2.614 -15.026 1.00 33.21 H new ATOM 1460 N GLN B 14 -0.393 -1.393 -14.784 1.00 1.22 N ATOM 1461 CA GLN B 14 -1.653 -0.788 -15.286 1.00 21.43 C ATOM 1462 C GLN B 14 -1.919 0.617 -14.670 1.00 63.11 C ATOM 1463 O GLN B 14 -2.347 1.537 -15.380 1.00 75.14 O ATOM 1464 CB GLN B 14 -2.847 -1.755 -15.033 1.00 1.51 C ATOM 1465 CG GLN B 14 -3.078 -2.139 -13.553 1.00 32.31 C ATOM 1466 CD GLN B 14 -4.144 -3.215 -13.338 1.00 5.11 C ATOM 1467 OE1 GLN B 14 -4.368 -4.070 -14.191 1.00 51.45 O ATOM 1468 NE2 GLN B 14 -4.788 -3.208 -12.186 1.00 24.34 N ATOM 0 H GLN B 14 -0.538 -2.227 -14.214 1.00 1.22 H new ATOM 0 HA GLN B 14 -1.546 -0.637 -16.360 1.00 21.43 H new ATOM 0 HB2 GLN B 14 -3.756 -1.294 -15.419 1.00 1.51 H new ATOM 0 HB3 GLN B 14 -2.684 -2.667 -15.608 1.00 1.51 H new ATOM 0 HG2 GLN B 14 -2.136 -2.488 -13.130 1.00 32.31 H new ATOM 0 HG3 GLN B 14 -3.365 -1.245 -12.999 1.00 32.31 H new ATOM 0 HE21 GLN B 14 -4.585 -2.488 -11.493 1.00 24.34 H new ATOM 0 HE22 GLN B 14 -5.489 -3.923 -11.989 1.00 24.34 H new ATOM 1477 N ILE B 15 -1.643 0.777 -13.351 1.00 3.11 N ATOM 1478 CA ILE B 15 -1.805 2.068 -12.632 1.00 43.43 C ATOM 1479 C ILE B 15 -0.823 3.132 -13.172 1.00 32.23 C ATOM 1480 O ILE B 15 -1.209 4.282 -13.395 1.00 42.30 O ATOM 1481 CB ILE B 15 -1.634 1.880 -11.074 1.00 73.20 C ATOM 1482 CG1 ILE B 15 -2.784 0.980 -10.511 1.00 22.14 C ATOM 1483 CG2 ILE B 15 -1.572 3.239 -10.317 1.00 41.41 C ATOM 1484 CD1 ILE B 15 -2.612 0.570 -9.058 1.00 71.05 C ATOM 0 H ILE B 15 -1.304 0.020 -12.758 1.00 3.11 H new ATOM 0 HA ILE B 15 -2.819 2.424 -12.815 1.00 43.43 H new ATOM 0 HB ILE B 15 -0.678 1.384 -10.906 1.00 73.20 H new ATOM 0 HG12 ILE B 15 -3.729 1.513 -10.615 1.00 22.14 H new ATOM 0 HG13 ILE B 15 -2.856 0.081 -11.123 1.00 22.14 H new ATOM 0 HG21 ILE B 15 -1.454 3.056 -9.249 1.00 41.41 H new ATOM 0 HG22 ILE B 15 -0.725 3.820 -10.681 1.00 41.41 H new ATOM 0 HG23 ILE B 15 -2.494 3.794 -10.490 1.00 41.41 H new ATOM 0 HD11 ILE B 15 -3.454 -0.051 -8.753 1.00 71.05 H new ATOM 0 HD12 ILE B 15 -1.686 0.006 -8.946 1.00 71.05 H new ATOM 0 HD13 ILE B 15 -2.572 1.461 -8.431 1.00 71.05 H new ATOM 1496 N TRP B 16 0.437 2.722 -13.411 1.00 71.02 N ATOM 1497 CA TRP B 16 1.454 3.603 -14.015 1.00 11.51 C ATOM 1498 C TRP B 16 1.026 4.066 -15.435 1.00 3.32 C ATOM 1499 O TRP B 16 1.250 5.214 -15.802 1.00 74.34 O ATOM 1500 CB TRP B 16 2.845 2.910 -14.078 1.00 25.32 C ATOM 1501 CG TRP B 16 3.921 3.841 -14.592 1.00 62.42 C ATOM 1502 CD1 TRP B 16 4.589 4.781 -13.871 1.00 52.12 C ATOM 1503 CD2 TRP B 16 4.392 3.962 -15.945 1.00 63.51 C ATOM 1504 NE1 TRP B 16 5.459 5.468 -14.680 1.00 64.10 N ATOM 1505 CE2 TRP B 16 5.351 4.988 -15.960 1.00 34.23 C ATOM 1506 CE3 TRP B 16 4.096 3.292 -17.137 1.00 43.33 C ATOM 1507 CZ2 TRP B 16 6.013 5.369 -17.123 1.00 73.23 C ATOM 1508 CZ3 TRP B 16 4.746 3.671 -18.293 1.00 53.45 C ATOM 1509 CH2 TRP B 16 5.698 4.703 -18.279 1.00 24.23 C ATOM 0 H TRP B 16 0.775 1.784 -13.194 1.00 71.02 H new ATOM 0 HA TRP B 16 1.537 4.480 -13.373 1.00 11.51 H new ATOM 0 HB2 TRP B 16 3.118 2.555 -13.084 1.00 25.32 H new ATOM 0 HB3 TRP B 16 2.785 2.034 -14.724 1.00 25.32 H new ATOM 0 HD1 TRP B 16 4.454 4.961 -12.815 1.00 52.12 H new ATOM 0 HE1 TRP B 16 6.085 6.215 -14.378 1.00 64.10 H new ATOM 0 HE3 TRP B 16 3.371 2.492 -17.152 1.00 43.33 H new ATOM 0 HZ2 TRP B 16 6.748 6.160 -17.115 1.00 73.23 H new ATOM 0 HZ3 TRP B 16 4.520 3.167 -19.221 1.00 53.45 H new ATOM 0 HH2 TRP B 16 6.193 4.978 -19.199 1.00 24.23 H new ATOM 1520 N GLU B 17 0.421 3.152 -16.226 1.00 25.35 N ATOM 1521 CA GLU B 17 -0.080 3.469 -17.590 1.00 20.44 C ATOM 1522 C GLU B 17 -1.265 4.469 -17.579 1.00 41.25 C ATOM 1523 O GLU B 17 -1.485 5.181 -18.570 1.00 5.44 O ATOM 1524 CB GLU B 17 -0.443 2.173 -18.355 1.00 75.24 C ATOM 1525 CG GLU B 17 0.778 1.325 -18.761 1.00 10.43 C ATOM 1526 CD GLU B 17 0.388 0.025 -19.479 1.00 32.41 C ATOM 1527 OE1 GLU B 17 -0.149 0.096 -20.608 1.00 71.30 O ATOM 1528 OE2 GLU B 17 0.614 -1.068 -18.932 1.00 35.21 O ATOM 0 H GLU B 17 0.266 2.184 -15.945 1.00 25.35 H new ATOM 0 HA GLU B 17 0.733 3.967 -18.118 1.00 20.44 H new ATOM 0 HB2 GLU B 17 -1.102 1.568 -17.733 1.00 75.24 H new ATOM 0 HB3 GLU B 17 -1.004 2.437 -19.251 1.00 75.24 H new ATOM 0 HG2 GLU B 17 1.424 1.914 -19.412 1.00 10.43 H new ATOM 0 HG3 GLU B 17 1.359 1.083 -17.871 1.00 10.43 H new ATOM 1535 N ALA B 18 -2.020 4.514 -16.464 1.00 35.15 N ATOM 1536 CA ALA B 18 -3.032 5.574 -16.227 1.00 72.32 C ATOM 1537 C ALA B 18 -2.348 6.963 -16.082 1.00 23.22 C ATOM 1538 O ALA B 18 -2.881 7.984 -16.526 1.00 15.53 O ATOM 1539 CB ALA B 18 -3.868 5.240 -14.978 1.00 5.31 C ATOM 0 H ALA B 18 -1.952 3.830 -15.710 1.00 35.15 H new ATOM 0 HA ALA B 18 -3.700 5.618 -17.087 1.00 72.32 H new ATOM 0 HB1 ALA B 18 -4.607 6.025 -14.814 1.00 5.31 H new ATOM 0 HB2 ALA B 18 -4.377 4.287 -15.125 1.00 5.31 H new ATOM 0 HB3 ALA B 18 -3.213 5.171 -14.109 1.00 5.31 H new ATOM 1545 N LEU B 19 -1.153 6.972 -15.448 1.00 23.42 N ATOM 1546 CA LEU B 19 -0.318 8.190 -15.266 1.00 41.55 C ATOM 1547 C LEU B 19 0.603 8.471 -16.489 1.00 35.23 C ATOM 1548 O LEU B 19 1.086 9.596 -16.645 1.00 41.33 O ATOM 1549 CB LEU B 19 0.546 8.078 -13.963 1.00 74.12 C ATOM 1550 CG LEU B 19 -0.188 8.302 -12.594 1.00 60.23 C ATOM 1551 CD1 LEU B 19 -1.300 7.264 -12.345 1.00 23.10 C ATOM 1552 CD2 LEU B 19 0.817 8.312 -11.418 1.00 75.51 C ATOM 0 H LEU B 19 -0.736 6.133 -15.045 1.00 23.42 H new ATOM 0 HA LEU B 19 -1.007 9.030 -15.175 1.00 41.55 H new ATOM 0 HB2 LEU B 19 1.002 7.088 -13.944 1.00 74.12 H new ATOM 0 HB3 LEU B 19 1.358 8.801 -14.033 1.00 74.12 H new ATOM 0 HG LEU B 19 -0.666 9.280 -12.654 1.00 60.23 H new ATOM 0 HD11 LEU B 19 -1.776 7.464 -11.385 1.00 23.10 H new ATOM 0 HD12 LEU B 19 -2.044 7.330 -13.139 1.00 23.10 H new ATOM 0 HD13 LEU B 19 -0.868 6.263 -12.334 1.00 23.10 H new ATOM 0 HD21 LEU B 19 0.281 8.469 -10.482 1.00 75.51 H new ATOM 0 HD22 LEU B 19 1.342 7.357 -11.380 1.00 75.51 H new ATOM 0 HD23 LEU B 19 1.538 9.117 -11.562 1.00 75.51 H new ATOM 1564 N ASN B 20 0.833 7.447 -17.341 1.00 71.25 N ATOM 1565 CA ASN B 20 1.775 7.525 -18.487 1.00 21.23 C ATOM 1566 C ASN B 20 1.312 8.562 -19.539 1.00 0.41 C ATOM 1567 O ASN B 20 0.202 8.464 -20.072 1.00 61.50 O ATOM 1568 CB ASN B 20 1.946 6.120 -19.125 1.00 75.50 C ATOM 1569 CG ASN B 20 2.923 6.057 -20.309 1.00 42.24 C ATOM 1570 OD1 ASN B 20 3.860 6.836 -20.413 1.00 53.00 O ATOM 1571 ND2 ASN B 20 2.721 5.111 -21.206 1.00 13.30 N ATOM 0 H ASN B 20 0.372 6.541 -17.256 1.00 71.25 H new ATOM 0 HA ASN B 20 2.741 7.863 -18.112 1.00 21.23 H new ATOM 0 HB2 ASN B 20 2.287 5.428 -18.355 1.00 75.50 H new ATOM 0 HB3 ASN B 20 0.970 5.769 -19.460 1.00 75.50 H new ATOM 0 HD21 ASN B 20 3.352 5.020 -22.003 1.00 13.30 H new ATOM 0 HD22 ASN B 20 1.934 4.470 -21.103 1.00 13.30 H new ATOM 1578 N GLY B 21 2.182 9.555 -19.814 1.00 33.21 N ATOM 1579 CA GLY B 21 1.857 10.690 -20.692 1.00 75.15 C ATOM 1580 C GLY B 21 1.501 11.965 -19.913 1.00 40.22 C ATOM 1581 O GLY B 21 1.697 13.081 -20.404 1.00 64.34 O ATOM 0 H GLY B 21 3.127 9.590 -19.433 1.00 33.21 H new ATOM 0 HA2 GLY B 21 2.707 10.894 -21.344 1.00 75.15 H new ATOM 0 HA3 GLY B 21 1.020 10.417 -21.335 1.00 75.15 H new ATOM 1585 N THR B 22 0.967 11.783 -18.695 1.00 54.05 N ATOM 1586 CA THR B 22 0.624 12.888 -17.759 1.00 54.53 C ATOM 1587 C THR B 22 1.733 13.017 -16.664 1.00 2.32 C ATOM 1588 O THR B 22 2.639 12.175 -16.587 1.00 60.35 O ATOM 1589 CB THR B 22 -0.784 12.619 -17.103 1.00 15.22 C ATOM 1590 OG1 THR B 22 -1.712 12.177 -18.110 1.00 45.42 O ATOM 1591 CG2 THR B 22 -1.389 13.859 -16.410 1.00 14.52 C ATOM 0 H THR B 22 0.755 10.858 -18.320 1.00 54.05 H new ATOM 0 HA THR B 22 0.571 13.827 -18.310 1.00 54.53 H new ATOM 0 HB THR B 22 -0.620 11.857 -16.341 1.00 15.22 H new ATOM 0 HG1 THR B 22 -2.586 12.009 -17.699 1.00 45.42 H new ATOM 0 HG21 THR B 22 -2.357 13.600 -15.981 1.00 14.52 H new ATOM 0 HG22 THR B 22 -0.720 14.196 -15.618 1.00 14.52 H new ATOM 0 HG23 THR B 22 -1.518 14.658 -17.141 1.00 14.52 H new ATOM 1599 N GLU B 23 1.664 14.071 -15.821 1.00 0.30 N ATOM 1600 CA GLU B 23 2.643 14.303 -14.729 1.00 14.41 C ATOM 1601 C GLU B 23 2.044 13.985 -13.328 1.00 62.43 C ATOM 1602 O GLU B 23 2.756 14.073 -12.324 1.00 11.43 O ATOM 1603 CB GLU B 23 3.137 15.777 -14.787 1.00 52.43 C ATOM 1604 CG GLU B 23 2.065 16.834 -14.459 1.00 10.03 C ATOM 1605 CD GLU B 23 2.529 18.271 -14.758 1.00 32.11 C ATOM 1606 OE1 GLU B 23 3.165 18.909 -13.886 1.00 50.51 O ATOM 1607 OE2 GLU B 23 2.269 18.765 -15.877 1.00 51.35 O ATOM 0 H GLU B 23 0.935 14.782 -15.875 1.00 0.30 H new ATOM 0 HA GLU B 23 3.483 13.624 -14.876 1.00 14.41 H new ATOM 0 HB2 GLU B 23 3.967 15.894 -14.090 1.00 52.43 H new ATOM 0 HB3 GLU B 23 3.528 15.975 -15.785 1.00 52.43 H new ATOM 0 HG2 GLU B 23 1.164 16.621 -15.035 1.00 10.03 H new ATOM 0 HG3 GLU B 23 1.796 16.756 -13.406 1.00 10.03 H new ATOM 1614 N GLY B 24 0.748 13.575 -13.281 1.00 65.03 N ATOM 1615 CA GLY B 24 0.028 13.376 -12.006 1.00 34.31 C ATOM 1616 C GLY B 24 -1.507 13.320 -12.146 1.00 50.44 C ATOM 1617 O GLY B 24 -2.104 14.167 -12.812 1.00 11.14 O ATOM 0 H GLY B 24 0.188 13.378 -14.110 1.00 65.03 H new ATOM 0 HA2 GLY B 24 0.373 12.449 -11.548 1.00 34.31 H new ATOM 0 HA3 GLY B 24 0.290 14.185 -11.324 1.00 34.31 H new ATOM 1621 N LEU B 25 -2.145 12.304 -11.510 1.00 11.45 N ATOM 1622 CA LEU B 25 -3.635 12.138 -11.477 1.00 54.33 C ATOM 1623 C LEU B 25 -4.138 11.961 -10.022 1.00 70.31 C ATOM 1624 O LEU B 25 -3.364 11.614 -9.125 1.00 41.43 O ATOM 1625 CB LEU B 25 -4.123 10.900 -12.309 1.00 4.23 C ATOM 1626 CG LEU B 25 -4.062 10.982 -13.874 1.00 73.42 C ATOM 1627 CD1 LEU B 25 -2.624 10.899 -14.404 1.00 70.52 C ATOM 1628 CD2 LEU B 25 -4.955 9.891 -14.522 1.00 13.12 C ATOM 0 H LEU B 25 -1.647 11.572 -11.003 1.00 11.45 H new ATOM 0 HA LEU B 25 -4.045 13.046 -11.920 1.00 54.33 H new ATOM 0 HB2 LEU B 25 -3.533 10.038 -11.999 1.00 4.23 H new ATOM 0 HB3 LEU B 25 -5.156 10.697 -12.027 1.00 4.23 H new ATOM 0 HG LEU B 25 -4.452 11.960 -14.158 1.00 73.42 H new ATOM 0 HD11 LEU B 25 -2.633 10.960 -15.492 1.00 70.52 H new ATOM 0 HD12 LEU B 25 -2.039 11.725 -13.999 1.00 70.52 H new ATOM 0 HD13 LEU B 25 -2.177 9.953 -14.097 1.00 70.52 H new ATOM 0 HD21 LEU B 25 -4.895 9.969 -15.608 1.00 13.12 H new ATOM 0 HD22 LEU B 25 -4.610 8.905 -14.210 1.00 13.12 H new ATOM 0 HD23 LEU B 25 -5.988 10.031 -14.205 1.00 13.12 H new ATOM 1640 N THR B 26 -5.454 12.196 -9.811 1.00 51.44 N ATOM 1641 CA THR B 26 -6.128 11.863 -8.528 1.00 74.34 C ATOM 1642 C THR B 26 -6.598 10.393 -8.548 1.00 63.43 C ATOM 1643 O THR B 26 -6.789 9.828 -9.628 1.00 3.51 O ATOM 1644 CB THR B 26 -7.374 12.773 -8.235 1.00 35.20 C ATOM 1645 OG1 THR B 26 -8.462 12.457 -9.118 1.00 43.41 O ATOM 1646 CG2 THR B 26 -7.049 14.270 -8.355 1.00 72.04 C ATOM 0 H THR B 26 -6.071 12.613 -10.508 1.00 51.44 H new ATOM 0 HA THR B 26 -5.393 12.033 -7.742 1.00 74.34 H new ATOM 0 HB THR B 26 -7.664 12.568 -7.204 1.00 35.20 H new ATOM 0 HG1 THR B 26 -9.227 13.036 -8.915 1.00 43.41 H new ATOM 0 HG21 THR B 26 -7.944 14.855 -8.143 1.00 72.04 H new ATOM 0 HG22 THR B 26 -6.267 14.531 -7.641 1.00 72.04 H new ATOM 0 HG23 THR B 26 -6.705 14.488 -9.366 1.00 72.04 H new ATOM 1654 N GLN B 27 -6.826 9.795 -7.353 1.00 62.31 N ATOM 1655 CA GLN B 27 -7.250 8.377 -7.219 1.00 72.44 C ATOM 1656 C GLN B 27 -8.541 8.093 -8.022 1.00 12.11 C ATOM 1657 O GLN B 27 -8.636 7.080 -8.701 1.00 10.22 O ATOM 1658 CB GLN B 27 -7.466 8.004 -5.727 1.00 13.13 C ATOM 1659 CG GLN B 27 -7.895 6.537 -5.481 1.00 21.21 C ATOM 1660 CD GLN B 27 -8.287 6.230 -4.037 1.00 32.01 C ATOM 1661 OE1 GLN B 27 -8.797 7.084 -3.316 1.00 53.54 O ATOM 1662 NE2 GLN B 27 -8.058 5.008 -3.597 1.00 70.55 N ATOM 0 H GLN B 27 -6.722 10.277 -6.460 1.00 62.31 H new ATOM 0 HA GLN B 27 -6.449 7.760 -7.628 1.00 72.44 H new ATOM 0 HB2 GLN B 27 -6.541 8.194 -5.182 1.00 13.13 H new ATOM 0 HB3 GLN B 27 -8.225 8.665 -5.308 1.00 13.13 H new ATOM 0 HG2 GLN B 27 -8.738 6.303 -6.131 1.00 21.21 H new ATOM 0 HG3 GLN B 27 -7.077 5.878 -5.771 1.00 21.21 H new ATOM 0 HE21 GLN B 27 -7.634 4.315 -4.214 1.00 70.55 H new ATOM 0 HE22 GLN B 27 -8.305 4.756 -2.640 1.00 70.55 H new ATOM 1671 N LYS B 28 -9.507 9.022 -7.942 1.00 13.02 N ATOM 1672 CA LYS B 28 -10.796 8.938 -8.682 1.00 64.05 C ATOM 1673 C LYS B 28 -10.584 8.872 -10.228 1.00 33.21 C ATOM 1674 O LYS B 28 -11.255 8.093 -10.922 1.00 24.15 O ATOM 1675 CB LYS B 28 -11.687 10.155 -8.299 1.00 4.42 C ATOM 1676 CG LYS B 28 -13.103 10.147 -8.923 1.00 54.00 C ATOM 1677 CD LYS B 28 -13.963 11.356 -8.481 1.00 52.42 C ATOM 1678 CE LYS B 28 -15.367 11.349 -9.117 1.00 64.32 C ATOM 1679 NZ LYS B 28 -16.161 10.155 -8.724 1.00 14.44 N ATOM 0 H LYS B 28 -9.425 9.858 -7.363 1.00 13.02 H new ATOM 0 HA LYS B 28 -11.295 8.012 -8.395 1.00 64.05 H new ATOM 0 HB2 LYS B 28 -11.784 10.189 -7.214 1.00 4.42 H new ATOM 0 HB3 LYS B 28 -11.177 11.070 -8.602 1.00 4.42 H new ATOM 0 HG2 LYS B 28 -13.016 10.148 -10.010 1.00 54.00 H new ATOM 0 HG3 LYS B 28 -13.612 9.224 -8.645 1.00 54.00 H new ATOM 0 HD2 LYS B 28 -14.060 11.351 -7.395 1.00 52.42 H new ATOM 0 HD3 LYS B 28 -13.451 12.280 -8.751 1.00 52.42 H new ATOM 0 HE2 LYS B 28 -15.902 12.251 -8.820 1.00 64.32 H new ATOM 0 HE3 LYS B 28 -15.271 11.377 -10.202 1.00 64.32 H new ATOM 0 HZ1 LYS B 28 -17.134 10.253 -9.078 1.00 14.44 H new ATOM 0 HZ2 LYS B 28 -15.729 9.301 -9.131 1.00 14.44 H new ATOM 0 HZ3 LYS B 28 -16.177 10.074 -7.687 1.00 14.44 H new ATOM 1693 N GLN B 29 -9.633 9.684 -10.744 1.00 33.11 N ATOM 1694 CA GLN B 29 -9.251 9.690 -12.185 1.00 31.14 C ATOM 1695 C GLN B 29 -8.601 8.354 -12.604 1.00 10.41 C ATOM 1696 O GLN B 29 -8.874 7.821 -13.688 1.00 72.14 O ATOM 1697 CB GLN B 29 -8.255 10.843 -12.479 1.00 43.21 C ATOM 1698 CG GLN B 29 -8.810 12.256 -12.260 1.00 44.44 C ATOM 1699 CD GLN B 29 -7.779 13.355 -12.540 1.00 23.31 C ATOM 1700 OE1 GLN B 29 -6.892 13.200 -13.375 1.00 52.21 O ATOM 1701 NE2 GLN B 29 -7.863 14.461 -11.827 1.00 21.12 N ATOM 0 H GLN B 29 -9.108 10.353 -10.181 1.00 33.11 H new ATOM 0 HA GLN B 29 -10.166 9.833 -12.759 1.00 31.14 H new ATOM 0 HB2 GLN B 29 -7.376 10.713 -11.847 1.00 43.21 H new ATOM 0 HB3 GLN B 29 -7.920 10.758 -13.513 1.00 43.21 H new ATOM 0 HG2 GLN B 29 -9.675 12.404 -12.906 1.00 44.44 H new ATOM 0 HG3 GLN B 29 -9.160 12.347 -11.232 1.00 44.44 H new ATOM 0 HE21 GLN B 29 -8.608 14.569 -11.139 1.00 21.12 H new ATOM 0 HE22 GLN B 29 -7.183 15.209 -11.964 1.00 21.12 H new ATOM 1710 N ILE B 30 -7.731 7.837 -11.725 1.00 52.44 N ATOM 1711 CA ILE B 30 -6.983 6.587 -11.957 1.00 62.20 C ATOM 1712 C ILE B 30 -7.937 5.377 -11.980 1.00 64.45 C ATOM 1713 O ILE B 30 -7.861 4.569 -12.886 1.00 22.24 O ATOM 1714 CB ILE B 30 -5.862 6.409 -10.863 1.00 22.23 C ATOM 1715 CG1 ILE B 30 -4.879 7.622 -10.924 1.00 54.42 C ATOM 1716 CG2 ILE B 30 -5.099 5.066 -11.026 1.00 43.14 C ATOM 1717 CD1 ILE B 30 -3.927 7.754 -9.751 1.00 35.22 C ATOM 0 H ILE B 30 -7.523 8.274 -10.827 1.00 52.44 H new ATOM 0 HA ILE B 30 -6.499 6.646 -12.932 1.00 62.20 H new ATOM 0 HB ILE B 30 -6.340 6.380 -9.884 1.00 22.23 H new ATOM 0 HG12 ILE B 30 -4.291 7.545 -11.839 1.00 54.42 H new ATOM 0 HG13 ILE B 30 -5.465 8.538 -10.998 1.00 54.42 H new ATOM 0 HG21 ILE B 30 -4.336 4.985 -10.252 1.00 43.14 H new ATOM 0 HG22 ILE B 30 -5.800 4.236 -10.934 1.00 43.14 H new ATOM 0 HG23 ILE B 30 -4.625 5.033 -12.007 1.00 43.14 H new ATOM 0 HD11 ILE B 30 -3.291 8.627 -9.895 1.00 35.22 H new ATOM 0 HD12 ILE B 30 -4.498 7.869 -8.830 1.00 35.22 H new ATOM 0 HD13 ILE B 30 -3.306 6.860 -9.684 1.00 35.22 H new ATOM 1729 N LYS B 31 -8.864 5.306 -11.003 1.00 23.53 N ATOM 1730 CA LYS B 31 -9.889 4.227 -10.906 1.00 31.11 C ATOM 1731 C LYS B 31 -10.822 4.203 -12.139 1.00 61.43 C ATOM 1732 O LYS B 31 -11.351 3.150 -12.491 1.00 54.03 O ATOM 1733 CB LYS B 31 -10.716 4.366 -9.596 1.00 52.22 C ATOM 1734 CG LYS B 31 -9.891 4.170 -8.299 1.00 25.35 C ATOM 1735 CD LYS B 31 -10.720 4.321 -6.992 1.00 13.24 C ATOM 1736 CE LYS B 31 -11.639 3.115 -6.676 1.00 32.13 C ATOM 1737 NZ LYS B 31 -12.796 2.981 -7.605 1.00 2.14 N ATOM 0 H LYS B 31 -8.930 5.994 -10.253 1.00 23.53 H new ATOM 0 HA LYS B 31 -9.355 3.277 -10.882 1.00 31.11 H new ATOM 0 HB2 LYS B 31 -11.177 5.353 -9.574 1.00 52.22 H new ATOM 0 HB3 LYS B 31 -11.526 3.636 -9.612 1.00 52.22 H new ATOM 0 HG2 LYS B 31 -9.436 3.179 -8.316 1.00 25.35 H new ATOM 0 HG3 LYS B 31 -9.077 4.894 -8.286 1.00 25.35 H new ATOM 0 HD2 LYS B 31 -10.036 4.470 -6.157 1.00 13.24 H new ATOM 0 HD3 LYS B 31 -11.332 5.220 -7.066 1.00 13.24 H new ATOM 0 HE2 LYS B 31 -11.048 2.200 -6.713 1.00 32.13 H new ATOM 0 HE3 LYS B 31 -12.013 3.212 -5.657 1.00 32.13 H new ATOM 0 HZ1 LYS B 31 -13.638 2.688 -7.070 1.00 2.14 H new ATOM 0 HZ2 LYS B 31 -12.979 3.895 -8.066 1.00 2.14 H new ATOM 0 HZ3 LYS B 31 -12.579 2.266 -8.328 1.00 2.14 H new ATOM 1751 N LYS B 32 -11.017 5.372 -12.779 1.00 55.33 N ATOM 1752 CA LYS B 32 -11.737 5.477 -14.070 1.00 51.44 C ATOM 1753 C LYS B 32 -10.907 4.862 -15.238 1.00 32.34 C ATOM 1754 O LYS B 32 -11.431 4.086 -16.041 1.00 54.45 O ATOM 1755 CB LYS B 32 -12.091 6.964 -14.366 1.00 71.33 C ATOM 1756 CG LYS B 32 -12.802 7.215 -15.721 1.00 70.43 C ATOM 1757 CD LYS B 32 -14.188 6.523 -15.836 1.00 32.22 C ATOM 1758 CE LYS B 32 -15.273 7.187 -14.966 1.00 24.42 C ATOM 1759 NZ LYS B 32 -15.578 8.574 -15.416 1.00 54.34 N ATOM 0 H LYS B 32 -10.683 6.267 -12.421 1.00 55.33 H new ATOM 0 HA LYS B 32 -12.661 4.905 -13.991 1.00 51.44 H new ATOM 0 HB2 LYS B 32 -12.729 7.336 -13.564 1.00 71.33 H new ATOM 0 HB3 LYS B 32 -11.173 7.551 -14.341 1.00 71.33 H new ATOM 0 HG2 LYS B 32 -12.929 8.288 -15.861 1.00 70.43 H new ATOM 0 HG3 LYS B 32 -12.161 6.861 -16.529 1.00 70.43 H new ATOM 0 HD2 LYS B 32 -14.508 6.537 -16.878 1.00 32.22 H new ATOM 0 HD3 LYS B 32 -14.089 5.477 -15.547 1.00 32.22 H new ATOM 0 HE2 LYS B 32 -16.182 6.587 -15.000 1.00 24.42 H new ATOM 0 HE3 LYS B 32 -14.943 7.207 -13.927 1.00 24.42 H new ATOM 0 HZ1 LYS B 32 -16.433 8.916 -14.932 1.00 54.34 H new ATOM 0 HZ2 LYS B 32 -14.777 9.197 -15.187 1.00 54.34 H new ATOM 0 HZ3 LYS B 32 -15.737 8.578 -16.444 1.00 54.34 H new ATOM 1773 N ALA B 33 -9.611 5.224 -15.310 1.00 2.44 N ATOM 1774 CA ALA B 33 -8.703 4.809 -16.417 1.00 32.13 C ATOM 1775 C ALA B 33 -8.365 3.290 -16.382 1.00 21.44 C ATOM 1776 O ALA B 33 -8.403 2.606 -17.410 1.00 23.22 O ATOM 1777 CB ALA B 33 -7.417 5.652 -16.367 1.00 34.12 C ATOM 0 H ALA B 33 -9.158 5.810 -14.609 1.00 2.44 H new ATOM 0 HA ALA B 33 -9.226 4.985 -17.357 1.00 32.13 H new ATOM 0 HB1 ALA B 33 -6.752 5.350 -17.176 1.00 34.12 H new ATOM 0 HB2 ALA B 33 -7.669 6.707 -16.479 1.00 34.12 H new ATOM 0 HB3 ALA B 33 -6.918 5.498 -15.410 1.00 34.12 H new ATOM 1783 N THR B 34 -8.029 2.791 -15.184 1.00 71.55 N ATOM 1784 CA THR B 34 -7.703 1.361 -14.930 1.00 20.11 C ATOM 1785 C THR B 34 -8.967 0.497 -14.740 1.00 72.01 C ATOM 1786 O THR B 34 -8.894 -0.732 -14.862 1.00 12.30 O ATOM 1787 CB THR B 34 -6.775 1.211 -13.674 1.00 44.21 C ATOM 1788 OG1 THR B 34 -7.262 2.041 -12.624 1.00 12.22 O ATOM 1789 CG2 THR B 34 -5.317 1.586 -13.980 1.00 75.11 C ATOM 0 H THR B 34 -7.972 3.369 -14.346 1.00 71.55 H new ATOM 0 HA THR B 34 -7.178 1.002 -15.815 1.00 20.11 H new ATOM 0 HB THR B 34 -6.793 0.163 -13.376 1.00 44.21 H new ATOM 0 HG1 THR B 34 -7.056 2.978 -12.825 1.00 12.22 H new ATOM 0 HG21 THR B 34 -4.714 1.466 -13.080 1.00 75.11 H new ATOM 0 HG22 THR B 34 -4.931 0.935 -14.765 1.00 75.11 H new ATOM 0 HG23 THR B 34 -5.270 2.623 -14.313 1.00 75.11 H new ATOM 1797 N LYS B 35 -10.110 1.154 -14.430 1.00 31.21 N ATOM 1798 CA LYS B 35 -11.434 0.492 -14.271 1.00 14.23 C ATOM 1799 C LYS B 35 -11.424 -0.566 -13.136 1.00 33.40 C ATOM 1800 O LYS B 35 -11.719 -1.752 -13.356 1.00 64.31 O ATOM 1801 CB LYS B 35 -11.907 -0.104 -15.632 1.00 53.45 C ATOM 1802 CG LYS B 35 -12.042 0.946 -16.771 1.00 43.01 C ATOM 1803 CD LYS B 35 -12.078 0.313 -18.185 1.00 73.52 C ATOM 1804 CE LYS B 35 -10.776 -0.446 -18.522 1.00 65.12 C ATOM 1805 NZ LYS B 35 -10.746 -0.950 -19.916 1.00 10.01 N ATOM 0 H LYS B 35 -10.143 2.163 -14.282 1.00 31.21 H new ATOM 0 HA LYS B 35 -12.158 1.249 -13.968 1.00 14.23 H new ATOM 0 HB2 LYS B 35 -11.202 -0.874 -15.944 1.00 53.45 H new ATOM 0 HB3 LYS B 35 -12.870 -0.593 -15.487 1.00 53.45 H new ATOM 0 HG2 LYS B 35 -12.952 1.525 -16.616 1.00 43.01 H new ATOM 0 HG3 LYS B 35 -11.207 1.644 -16.714 1.00 43.01 H new ATOM 0 HD2 LYS B 35 -12.923 -0.372 -18.252 1.00 73.52 H new ATOM 0 HD3 LYS B 35 -12.242 1.095 -18.926 1.00 73.52 H new ATOM 0 HE2 LYS B 35 -9.924 0.215 -18.362 1.00 65.12 H new ATOM 0 HE3 LYS B 35 -10.662 -1.285 -17.835 1.00 65.12 H new ATOM 0 HZ1 LYS B 35 -9.850 -1.450 -20.085 1.00 10.01 H new ATOM 0 HZ2 LYS B 35 -11.541 -1.603 -20.066 1.00 10.01 H new ATOM 0 HZ3 LYS B 35 -10.826 -0.150 -20.576 1.00 10.01 H new ATOM 1819 N LEU B 36 -11.055 -0.121 -11.918 1.00 72.04 N ATOM 1820 CA LEU B 36 -11.093 -0.982 -10.700 1.00 24.24 C ATOM 1821 C LEU B 36 -12.004 -0.356 -9.616 1.00 52.34 C ATOM 1822 O LEU B 36 -12.031 0.872 -9.439 1.00 42.14 O ATOM 1823 CB LEU B 36 -9.660 -1.304 -10.136 1.00 30.14 C ATOM 1824 CG LEU B 36 -8.881 -0.205 -9.331 1.00 35.34 C ATOM 1825 CD1 LEU B 36 -7.587 -0.774 -8.703 1.00 3.42 C ATOM 1826 CD2 LEU B 36 -8.565 1.013 -10.182 1.00 64.14 C ATOM 0 H LEU B 36 -10.726 0.828 -11.743 1.00 72.04 H new ATOM 0 HA LEU B 36 -11.521 -1.939 -10.999 1.00 24.24 H new ATOM 0 HB2 LEU B 36 -9.752 -2.178 -9.491 1.00 30.14 H new ATOM 0 HB3 LEU B 36 -9.035 -1.595 -10.980 1.00 30.14 H new ATOM 0 HG LEU B 36 -9.542 0.116 -8.526 1.00 35.34 H new ATOM 0 HD11 LEU B 36 -7.073 0.014 -8.153 1.00 3.42 H new ATOM 0 HD12 LEU B 36 -7.840 -1.586 -8.022 1.00 3.42 H new ATOM 0 HD13 LEU B 36 -6.935 -1.151 -9.491 1.00 3.42 H new ATOM 0 HD21 LEU B 36 -8.026 1.746 -9.582 1.00 64.14 H new ATOM 0 HD22 LEU B 36 -7.949 0.714 -11.030 1.00 64.14 H new ATOM 0 HD23 LEU B 36 -9.493 1.454 -10.545 1.00 64.14 H new ATOM 1838 N LYS B 37 -12.774 -1.213 -8.916 1.00 23.21 N ATOM 1839 CA LYS B 37 -13.712 -0.787 -7.856 1.00 14.23 C ATOM 1840 C LYS B 37 -12.983 -0.647 -6.504 1.00 53.43 C ATOM 1841 O LYS B 37 -13.132 0.368 -5.805 1.00 50.53 O ATOM 1842 CB LYS B 37 -14.887 -1.798 -7.735 1.00 4.22 C ATOM 1843 CG LYS B 37 -15.992 -1.388 -6.732 1.00 55.13 C ATOM 1844 CD LYS B 37 -17.156 -2.411 -6.603 1.00 24.11 C ATOM 1845 CE LYS B 37 -18.009 -2.582 -7.888 1.00 64.22 C ATOM 1846 NZ LYS B 37 -17.352 -3.424 -8.926 1.00 21.52 N ATOM 0 H LYS B 37 -12.764 -2.221 -9.069 1.00 23.21 H new ATOM 0 HA LYS B 37 -14.116 0.188 -8.129 1.00 14.23 H new ATOM 0 HB2 LYS B 37 -15.338 -1.929 -8.718 1.00 4.22 H new ATOM 0 HB3 LYS B 37 -14.486 -2.767 -7.437 1.00 4.22 H new ATOM 0 HG2 LYS B 37 -15.540 -1.245 -5.751 1.00 55.13 H new ATOM 0 HG3 LYS B 37 -16.403 -0.425 -7.037 1.00 55.13 H new ATOM 0 HD2 LYS B 37 -16.742 -3.380 -6.326 1.00 24.11 H new ATOM 0 HD3 LYS B 37 -17.809 -2.098 -5.788 1.00 24.11 H new ATOM 0 HE2 LYS B 37 -18.968 -3.028 -7.622 1.00 64.22 H new ATOM 0 HE3 LYS B 37 -18.220 -1.599 -8.308 1.00 64.22 H new ATOM 0 HZ1 LYS B 37 -17.010 -2.818 -9.699 1.00 21.52 H new ATOM 0 HZ2 LYS B 37 -16.549 -3.932 -8.504 1.00 21.52 H new ATOM 0 HZ3 LYS B 37 -18.037 -4.110 -9.301 1.00 21.52 H new ATOM 1860 N ALA B 38 -12.201 -1.681 -6.140 1.00 32.31 N ATOM 1861 CA ALA B 38 -11.438 -1.702 -4.885 1.00 32.23 C ATOM 1862 C ALA B 38 -10.264 -0.692 -4.891 1.00 24.50 C ATOM 1863 O ALA B 38 -9.351 -0.772 -5.722 1.00 52.12 O ATOM 1864 CB ALA B 38 -10.932 -3.127 -4.597 1.00 63.02 C ATOM 0 H ALA B 38 -12.083 -2.520 -6.707 1.00 32.31 H new ATOM 0 HA ALA B 38 -12.113 -1.394 -4.087 1.00 32.23 H new ATOM 0 HB1 ALA B 38 -10.368 -3.131 -3.664 1.00 63.02 H new ATOM 0 HB2 ALA B 38 -11.782 -3.804 -4.510 1.00 63.02 H new ATOM 0 HB3 ALA B 38 -10.288 -3.456 -5.412 1.00 63.02 H new ATOM 1870 N ASP B 39 -10.323 0.263 -3.948 1.00 24.15 N ATOM 1871 CA ASP B 39 -9.222 1.209 -3.657 1.00 40.13 C ATOM 1872 C ASP B 39 -7.956 0.457 -3.184 1.00 70.14 C ATOM 1873 O ASP B 39 -6.839 0.945 -3.342 1.00 73.02 O ATOM 1874 CB ASP B 39 -9.674 2.191 -2.554 1.00 74.33 C ATOM 1875 CG ASP B 39 -11.016 2.872 -2.862 1.00 72.03 C ATOM 1876 OD1 ASP B 39 -12.075 2.257 -2.587 1.00 11.53 O ATOM 1877 OD2 ASP B 39 -11.024 4.013 -3.369 1.00 61.04 O ATOM 0 H ASP B 39 -11.143 0.405 -3.358 1.00 24.15 H new ATOM 0 HA ASP B 39 -8.980 1.752 -4.571 1.00 40.13 H new ATOM 0 HB2 ASP B 39 -9.755 1.653 -1.609 1.00 74.33 H new ATOM 0 HB3 ASP B 39 -8.908 2.955 -2.421 1.00 74.33 H new ATOM 1882 N LYS B 40 -8.177 -0.728 -2.584 1.00 5.45 N ATOM 1883 CA LYS B 40 -7.122 -1.599 -2.011 1.00 11.42 C ATOM 1884 C LYS B 40 -6.023 -1.933 -3.048 1.00 21.51 C ATOM 1885 O LYS B 40 -4.834 -1.731 -2.793 1.00 13.34 O ATOM 1886 CB LYS B 40 -7.764 -2.911 -1.480 1.00 34.43 C ATOM 1887 CG LYS B 40 -9.022 -2.700 -0.604 1.00 1.44 C ATOM 1888 CD LYS B 40 -8.757 -1.913 0.700 1.00 25.43 C ATOM 1889 CE LYS B 40 -10.048 -1.694 1.515 1.00 33.22 C ATOM 1890 NZ LYS B 40 -9.798 -0.948 2.768 1.00 5.51 N ATOM 0 H LYS B 40 -9.113 -1.119 -2.480 1.00 5.45 H new ATOM 0 HA LYS B 40 -6.648 -1.058 -1.192 1.00 11.42 H new ATOM 0 HB2 LYS B 40 -8.029 -3.541 -2.329 1.00 34.43 H new ATOM 0 HB3 LYS B 40 -7.020 -3.456 -0.900 1.00 34.43 H new ATOM 0 HG2 LYS B 40 -9.774 -2.171 -1.189 1.00 1.44 H new ATOM 0 HG3 LYS B 40 -9.442 -3.673 -0.350 1.00 1.44 H new ATOM 0 HD2 LYS B 40 -8.031 -2.453 1.308 1.00 25.43 H new ATOM 0 HD3 LYS B 40 -8.313 -0.947 0.457 1.00 25.43 H new ATOM 0 HE2 LYS B 40 -10.771 -1.149 0.908 1.00 33.22 H new ATOM 0 HE3 LYS B 40 -10.494 -2.660 1.752 1.00 33.22 H new ATOM 0 HZ1 LYS B 40 -10.129 -1.510 3.578 1.00 5.51 H new ATOM 0 HZ2 LYS B 40 -8.779 -0.766 2.866 1.00 5.51 H new ATOM 0 HZ3 LYS B 40 -10.310 -0.043 2.742 1.00 5.51 H new ATOM 1904 N ASP B 41 -6.457 -2.399 -4.232 1.00 12.04 N ATOM 1905 CA ASP B 41 -5.556 -2.762 -5.353 1.00 33.44 C ATOM 1906 C ASP B 41 -4.764 -1.541 -5.879 1.00 22.35 C ATOM 1907 O ASP B 41 -3.629 -1.686 -6.358 1.00 0.40 O ATOM 1908 CB ASP B 41 -6.370 -3.407 -6.492 1.00 60.35 C ATOM 1909 CG ASP B 41 -7.045 -4.710 -6.057 1.00 11.34 C ATOM 1910 OD1 ASP B 41 -8.122 -4.646 -5.439 1.00 11.10 O ATOM 1911 OD2 ASP B 41 -6.492 -5.803 -6.305 1.00 45.24 O ATOM 0 H ASP B 41 -7.445 -2.537 -4.445 1.00 12.04 H new ATOM 0 HA ASP B 41 -4.828 -3.480 -4.976 1.00 33.44 H new ATOM 0 HB2 ASP B 41 -7.129 -2.704 -6.836 1.00 60.35 H new ATOM 0 HB3 ASP B 41 -5.712 -3.606 -7.338 1.00 60.35 H new ATOM 1916 N PHE B 42 -5.375 -0.339 -5.781 1.00 1.31 N ATOM 1917 CA PHE B 42 -4.684 0.933 -6.082 1.00 32.30 C ATOM 1918 C PHE B 42 -3.480 1.147 -5.129 1.00 34.51 C ATOM 1919 O PHE B 42 -2.397 1.501 -5.580 1.00 14.45 O ATOM 1920 CB PHE B 42 -5.662 2.144 -6.017 1.00 52.04 C ATOM 1921 CG PHE B 42 -4.975 3.506 -6.155 1.00 54.41 C ATOM 1922 CD1 PHE B 42 -4.376 3.880 -7.357 1.00 35.10 C ATOM 1923 CD2 PHE B 42 -4.899 4.397 -5.077 1.00 24.00 C ATOM 1924 CE1 PHE B 42 -3.734 5.095 -7.478 1.00 24.33 C ATOM 1925 CE2 PHE B 42 -4.254 5.614 -5.203 1.00 44.22 C ATOM 1926 CZ PHE B 42 -3.673 5.963 -6.405 1.00 51.22 C ATOM 0 H PHE B 42 -6.347 -0.224 -5.495 1.00 1.31 H new ATOM 0 HA PHE B 42 -4.306 0.868 -7.102 1.00 32.30 H new ATOM 0 HB2 PHE B 42 -6.405 2.041 -6.808 1.00 52.04 H new ATOM 0 HB3 PHE B 42 -6.199 2.114 -5.069 1.00 52.04 H new ATOM 0 HD1 PHE B 42 -4.415 3.211 -8.204 1.00 35.10 H new ATOM 0 HD2 PHE B 42 -5.351 4.130 -4.133 1.00 24.00 H new ATOM 0 HE1 PHE B 42 -3.276 5.369 -8.417 1.00 24.33 H new ATOM 0 HE2 PHE B 42 -4.205 6.290 -4.362 1.00 44.22 H new ATOM 0 HZ PHE B 42 -3.171 6.914 -6.507 1.00 51.22 H new ATOM 1936 N PHE B 43 -3.689 0.909 -3.819 1.00 21.12 N ATOM 1937 CA PHE B 43 -2.643 1.117 -2.778 1.00 62.23 C ATOM 1938 C PHE B 43 -1.470 0.108 -2.924 1.00 22.54 C ATOM 1939 O PHE B 43 -0.309 0.469 -2.720 1.00 13.54 O ATOM 1940 CB PHE B 43 -3.253 1.011 -1.354 1.00 73.33 C ATOM 1941 CG PHE B 43 -4.509 1.859 -1.127 1.00 71.23 C ATOM 1942 CD1 PHE B 43 -4.587 3.181 -1.574 1.00 13.04 C ATOM 1943 CD2 PHE B 43 -5.612 1.329 -0.463 1.00 4.43 C ATOM 1944 CE1 PHE B 43 -5.724 3.935 -1.363 1.00 63.03 C ATOM 1945 CE2 PHE B 43 -6.748 2.080 -0.252 1.00 73.13 C ATOM 1946 CZ PHE B 43 -6.804 3.383 -0.702 1.00 4.44 C ATOM 0 H PHE B 43 -4.576 0.570 -3.447 1.00 21.12 H new ATOM 0 HA PHE B 43 -2.245 2.121 -2.924 1.00 62.23 H new ATOM 0 HB2 PHE B 43 -3.496 -0.033 -1.155 1.00 73.33 H new ATOM 0 HB3 PHE B 43 -2.496 1.306 -0.627 1.00 73.33 H new ATOM 0 HD1 PHE B 43 -3.746 3.619 -2.092 1.00 13.04 H new ATOM 0 HD2 PHE B 43 -5.577 0.310 -0.107 1.00 4.43 H new ATOM 0 HE1 PHE B 43 -5.769 4.955 -1.714 1.00 63.03 H new ATOM 0 HE2 PHE B 43 -7.593 1.649 0.265 1.00 73.13 H new ATOM 0 HZ PHE B 43 -7.694 3.972 -0.537 1.00 4.44 H new ATOM 1956 N LEU B 44 -1.801 -1.154 -3.277 1.00 2.11 N ATOM 1957 CA LEU B 44 -0.802 -2.237 -3.512 1.00 70.31 C ATOM 1958 C LEU B 44 0.117 -1.907 -4.722 1.00 61.30 C ATOM 1959 O LEU B 44 1.348 -2.018 -4.626 1.00 65.12 O ATOM 1960 CB LEU B 44 -1.527 -3.611 -3.721 1.00 4.20 C ATOM 1961 CG LEU B 44 -1.889 -4.432 -2.430 1.00 25.34 C ATOM 1962 CD1 LEU B 44 -2.713 -3.612 -1.412 1.00 61.42 C ATOM 1963 CD2 LEU B 44 -2.622 -5.749 -2.801 1.00 32.43 C ATOM 0 H LEU B 44 -2.766 -1.457 -3.409 1.00 2.11 H new ATOM 0 HA LEU B 44 -0.168 -2.309 -2.628 1.00 70.31 H new ATOM 0 HB2 LEU B 44 -2.448 -3.427 -4.274 1.00 4.20 H new ATOM 0 HB3 LEU B 44 -0.895 -4.235 -4.353 1.00 4.20 H new ATOM 0 HG LEU B 44 -0.947 -4.681 -1.942 1.00 25.34 H new ATOM 0 HD11 LEU B 44 -2.934 -4.229 -0.541 1.00 61.42 H new ATOM 0 HD12 LEU B 44 -2.141 -2.738 -1.101 1.00 61.42 H new ATOM 0 HD13 LEU B 44 -3.646 -3.290 -1.874 1.00 61.42 H new ATOM 0 HD21 LEU B 44 -2.862 -6.300 -1.892 1.00 32.43 H new ATOM 0 HD22 LEU B 44 -3.542 -5.515 -3.337 1.00 32.43 H new ATOM 0 HD23 LEU B 44 -1.977 -6.358 -3.435 1.00 32.43 H new ATOM 1975 N GLY B 45 -0.504 -1.482 -5.843 1.00 2.35 N ATOM 1976 CA GLY B 45 0.241 -1.068 -7.046 1.00 55.24 C ATOM 1977 C GLY B 45 1.068 0.204 -6.834 1.00 4.12 C ATOM 1978 O GLY B 45 2.230 0.268 -7.217 1.00 43.14 O ATOM 0 H GLY B 45 -1.518 -1.417 -5.938 1.00 2.35 H new ATOM 0 HA2 GLY B 45 0.903 -1.878 -7.352 1.00 55.24 H new ATOM 0 HA3 GLY B 45 -0.462 -0.905 -7.863 1.00 55.24 H new ATOM 1982 N LEU B 46 0.455 1.197 -6.168 1.00 12.13 N ATOM 1983 CA LEU B 46 1.099 2.494 -5.828 1.00 33.44 C ATOM 1984 C LEU B 46 2.305 2.300 -4.871 1.00 23.20 C ATOM 1985 O LEU B 46 3.295 3.037 -4.937 1.00 61.42 O ATOM 1986 CB LEU B 46 0.041 3.426 -5.179 1.00 31.04 C ATOM 1987 CG LEU B 46 0.511 4.858 -4.780 1.00 44.01 C ATOM 1988 CD1 LEU B 46 0.962 5.665 -6.019 1.00 61.42 C ATOM 1989 CD2 LEU B 46 -0.588 5.599 -3.979 1.00 61.42 C ATOM 0 H LEU B 46 -0.510 1.129 -5.844 1.00 12.13 H new ATOM 0 HA LEU B 46 1.482 2.944 -6.744 1.00 33.44 H new ATOM 0 HB2 LEU B 46 -0.795 3.524 -5.872 1.00 31.04 H new ATOM 0 HB3 LEU B 46 -0.342 2.934 -4.285 1.00 31.04 H new ATOM 0 HG LEU B 46 1.379 4.759 -4.128 1.00 44.01 H new ATOM 0 HD11 LEU B 46 1.284 6.659 -5.708 1.00 61.42 H new ATOM 0 HD12 LEU B 46 1.791 5.151 -6.506 1.00 61.42 H new ATOM 0 HD13 LEU B 46 0.130 5.755 -6.717 1.00 61.42 H new ATOM 0 HD21 LEU B 46 -0.235 6.595 -3.713 1.00 61.42 H new ATOM 0 HD22 LEU B 46 -1.488 5.684 -4.588 1.00 61.42 H new ATOM 0 HD23 LEU B 46 -0.816 5.040 -3.071 1.00 61.42 H new ATOM 2001 N GLY B 47 2.206 1.275 -4.009 1.00 14.51 N ATOM 2002 CA GLY B 47 3.279 0.918 -3.067 1.00 50.40 C ATOM 2003 C GLY B 47 4.507 0.349 -3.778 1.00 51.23 C ATOM 2004 O GLY B 47 5.652 0.521 -3.327 1.00 32.51 O ATOM 0 H GLY B 47 1.385 0.674 -3.945 1.00 14.51 H new ATOM 0 HA2 GLY B 47 3.568 1.801 -2.497 1.00 50.40 H new ATOM 0 HA3 GLY B 47 2.904 0.186 -2.352 1.00 50.40 H new ATOM 2008 N TRP B 48 4.256 -0.336 -4.910 1.00 52.23 N ATOM 2009 CA TRP B 48 5.318 -0.840 -5.802 1.00 34.32 C ATOM 2010 C TRP B 48 5.988 0.335 -6.569 1.00 1.33 C ATOM 2011 O TRP B 48 7.190 0.336 -6.811 1.00 31.40 O ATOM 2012 CB TRP B 48 4.734 -1.886 -6.795 1.00 55.41 C ATOM 2013 CG TRP B 48 5.802 -2.734 -7.437 1.00 31.14 C ATOM 2014 CD1 TRP B 48 6.524 -2.473 -8.565 1.00 31.22 C ATOM 2015 CD2 TRP B 48 6.285 -3.976 -6.934 1.00 5.44 C ATOM 2016 NE1 TRP B 48 7.451 -3.459 -8.768 1.00 64.54 N ATOM 2017 CE2 TRP B 48 7.315 -4.403 -7.788 1.00 22.12 C ATOM 2018 CE3 TRP B 48 5.945 -4.758 -5.834 1.00 4.12 C ATOM 2019 CZ2 TRP B 48 8.013 -5.583 -7.572 1.00 50.01 C ATOM 2020 CZ3 TRP B 48 6.630 -5.928 -5.621 1.00 52.50 C ATOM 2021 CH2 TRP B 48 7.658 -6.334 -6.481 1.00 51.14 C ATOM 0 H TRP B 48 3.313 -0.555 -5.232 1.00 52.23 H new ATOM 0 HA TRP B 48 6.081 -1.328 -5.196 1.00 34.32 H new ATOM 0 HB2 TRP B 48 4.032 -2.531 -6.267 1.00 55.41 H new ATOM 0 HB3 TRP B 48 4.170 -1.369 -7.571 1.00 55.41 H new ATOM 0 HD1 TRP B 48 6.384 -1.614 -9.204 1.00 31.22 H new ATOM 0 HE1 TRP B 48 8.132 -3.485 -9.527 1.00 64.54 H new ATOM 0 HE3 TRP B 48 5.158 -4.450 -5.162 1.00 4.12 H new ATOM 0 HZ2 TRP B 48 8.804 -5.897 -8.237 1.00 50.01 H new ATOM 0 HZ3 TRP B 48 6.372 -6.547 -4.775 1.00 52.50 H new ATOM 0 HH2 TRP B 48 8.182 -7.257 -6.281 1.00 51.14 H new ATOM 2032 N LEU B 49 5.188 1.336 -6.946 1.00 54.50 N ATOM 2033 CA LEU B 49 5.692 2.593 -7.556 1.00 23.11 C ATOM 2034 C LEU B 49 6.614 3.384 -6.562 1.00 5.00 C ATOM 2035 O LEU B 49 7.536 4.098 -6.987 1.00 61.41 O ATOM 2036 CB LEU B 49 4.479 3.454 -8.040 1.00 75.22 C ATOM 2037 CG LEU B 49 3.853 3.118 -9.445 1.00 1.24 C ATOM 2038 CD1 LEU B 49 3.673 1.622 -9.660 1.00 44.43 C ATOM 2039 CD2 LEU B 49 2.506 3.858 -9.648 1.00 43.23 C ATOM 0 H LEU B 49 4.174 1.309 -6.842 1.00 54.50 H new ATOM 0 HA LEU B 49 6.312 2.349 -8.419 1.00 23.11 H new ATOM 0 HB2 LEU B 49 3.690 3.370 -7.293 1.00 75.22 H new ATOM 0 HB3 LEU B 49 4.794 4.497 -8.055 1.00 75.22 H new ATOM 0 HG LEU B 49 4.564 3.470 -10.193 1.00 1.24 H new ATOM 0 HD11 LEU B 49 3.238 1.446 -10.644 1.00 44.43 H new ATOM 0 HD12 LEU B 49 4.642 1.126 -9.597 1.00 44.43 H new ATOM 0 HD13 LEU B 49 3.010 1.221 -8.893 1.00 44.43 H new ATOM 0 HD21 LEU B 49 2.097 3.607 -10.627 1.00 43.23 H new ATOM 0 HD22 LEU B 49 1.803 3.554 -8.872 1.00 43.23 H new ATOM 0 HD23 LEU B 49 2.669 4.934 -9.588 1.00 43.23 H new ATOM 2051 N LEU B 50 6.341 3.247 -5.238 1.00 55.51 N ATOM 2052 CA LEU B 50 7.170 3.843 -4.153 1.00 74.22 C ATOM 2053 C LEU B 50 8.574 3.168 -3.996 1.00 41.31 C ATOM 2054 O LEU B 50 9.550 3.868 -3.692 1.00 4.10 O ATOM 2055 CB LEU B 50 6.395 3.816 -2.795 1.00 33.45 C ATOM 2056 CG LEU B 50 5.137 4.750 -2.690 1.00 44.31 C ATOM 2057 CD1 LEU B 50 4.393 4.553 -1.346 1.00 42.21 C ATOM 2058 CD2 LEU B 50 5.522 6.237 -2.891 1.00 70.22 C ATOM 0 H LEU B 50 5.540 2.720 -4.891 1.00 55.51 H new ATOM 0 HA LEU B 50 7.359 4.876 -4.446 1.00 74.22 H new ATOM 0 HB2 LEU B 50 6.077 2.791 -2.604 1.00 33.45 H new ATOM 0 HB3 LEU B 50 7.089 4.088 -2.000 1.00 33.45 H new ATOM 0 HG LEU B 50 4.456 4.466 -3.492 1.00 44.31 H new ATOM 0 HD11 LEU B 50 3.528 5.215 -1.308 1.00 42.21 H new ATOM 0 HD12 LEU B 50 4.061 3.518 -1.262 1.00 42.21 H new ATOM 0 HD13 LEU B 50 5.065 4.787 -0.520 1.00 42.21 H new ATOM 0 HD21 LEU B 50 4.629 6.858 -2.813 1.00 70.22 H new ATOM 0 HD22 LEU B 50 6.239 6.534 -2.126 1.00 70.22 H new ATOM 0 HD23 LEU B 50 5.969 6.367 -3.877 1.00 70.22 H new ATOM 2070 N ARG B 51 8.687 1.821 -4.182 1.00 64.15 N ATOM 2071 CA ARG B 51 10.015 1.121 -4.097 1.00 34.41 C ATOM 2072 C ARG B 51 10.915 1.459 -5.293 1.00 45.35 C ATOM 2073 O ARG B 51 12.140 1.539 -5.160 1.00 51.21 O ATOM 2074 CB ARG B 51 9.873 -0.422 -3.965 1.00 33.31 C ATOM 2075 CG ARG B 51 9.201 -1.156 -5.145 1.00 63.43 C ATOM 2076 CD ARG B 51 8.952 -2.644 -4.863 1.00 4.33 C ATOM 2077 NE ARG B 51 10.200 -3.416 -4.770 1.00 42.53 N ATOM 2078 CZ ARG B 51 10.376 -4.498 -4.045 1.00 73.54 C ATOM 2079 NH1 ARG B 51 9.422 -4.982 -3.311 1.00 75.02 N ATOM 2080 NH2 ARG B 51 11.520 -5.089 -4.049 1.00 52.21 N ATOM 0 H ARG B 51 7.899 1.206 -4.387 1.00 64.15 H new ATOM 0 HA ARG B 51 10.485 1.492 -3.187 1.00 34.41 H new ATOM 0 HB2 ARG B 51 10.867 -0.845 -3.822 1.00 33.31 H new ATOM 0 HB3 ARG B 51 9.303 -0.636 -3.061 1.00 33.31 H new ATOM 0 HG2 ARG B 51 8.252 -0.672 -5.374 1.00 63.43 H new ATOM 0 HG3 ARG B 51 9.829 -1.060 -6.030 1.00 63.43 H new ATOM 0 HD2 ARG B 51 8.395 -2.746 -3.931 1.00 4.33 H new ATOM 0 HD3 ARG B 51 8.329 -3.061 -5.654 1.00 4.33 H new ATOM 0 HE ARG B 51 10.996 -3.084 -5.314 1.00 42.53 H new ATOM 0 HH11 ARG B 51 8.512 -4.521 -3.288 1.00 75.02 H new ATOM 0 HH12 ARG B 51 9.582 -5.823 -2.757 1.00 75.02 H new ATOM 0 HH21 ARG B 51 12.284 -4.717 -4.613 1.00 52.21 H new ATOM 0 HH22 ARG B 51 11.662 -5.929 -3.488 1.00 52.21 H new ATOM 2094 N GLU B 52 10.282 1.667 -6.452 1.00 54.13 N ATOM 2095 CA GLU B 52 10.972 2.046 -7.694 1.00 21.43 C ATOM 2096 C GLU B 52 11.292 3.562 -7.701 1.00 34.45 C ATOM 2097 O GLU B 52 12.112 4.026 -8.503 1.00 63.53 O ATOM 2098 CB GLU B 52 10.076 1.656 -8.897 1.00 31.20 C ATOM 2099 CG GLU B 52 9.667 0.160 -8.913 1.00 53.31 C ATOM 2100 CD GLU B 52 8.710 -0.210 -10.065 1.00 32.51 C ATOM 2101 OE1 GLU B 52 7.608 0.385 -10.144 1.00 44.42 O ATOM 2102 OE2 GLU B 52 9.060 -1.071 -10.910 1.00 72.33 O ATOM 0 H GLU B 52 9.271 1.577 -6.558 1.00 54.13 H new ATOM 0 HA GLU B 52 11.922 1.516 -7.766 1.00 21.43 H new ATOM 0 HB2 GLU B 52 9.175 2.269 -8.881 1.00 31.20 H new ATOM 0 HB3 GLU B 52 10.604 1.889 -9.822 1.00 31.20 H new ATOM 0 HG2 GLU B 52 10.566 -0.452 -8.988 1.00 53.31 H new ATOM 0 HG3 GLU B 52 9.191 -0.087 -7.964 1.00 53.31 H new ATOM 2109 N ASP B 53 10.569 4.316 -6.830 1.00 33.10 N ATOM 2110 CA ASP B 53 10.764 5.770 -6.588 1.00 61.40 C ATOM 2111 C ASP B 53 10.316 6.608 -7.819 1.00 30.20 C ATOM 2112 O ASP B 53 10.631 7.792 -7.950 1.00 22.24 O ATOM 2113 CB ASP B 53 12.235 6.070 -6.137 1.00 25.10 C ATOM 2114 CG ASP B 53 12.447 7.501 -5.611 1.00 61.43 C ATOM 2115 OD1 ASP B 53 11.751 7.893 -4.651 1.00 53.03 O ATOM 2116 OD2 ASP B 53 13.295 8.242 -6.158 1.00 33.15 O ATOM 0 H ASP B 53 9.818 3.920 -6.265 1.00 33.10 H new ATOM 0 HA ASP B 53 10.121 6.077 -5.763 1.00 61.40 H new ATOM 0 HB2 ASP B 53 12.517 5.362 -5.358 1.00 25.10 H new ATOM 0 HB3 ASP B 53 12.905 5.900 -6.980 1.00 25.10 H new ATOM 2121 N LYS B 54 9.500 5.977 -8.689 1.00 1.42 N ATOM 2122 CA LYS B 54 8.977 6.612 -9.918 1.00 11.22 C ATOM 2123 C LYS B 54 7.774 7.534 -9.629 1.00 54.32 C ATOM 2124 O LYS B 54 7.341 8.267 -10.522 1.00 34.13 O ATOM 2125 CB LYS B 54 8.591 5.538 -10.972 1.00 0.30 C ATOM 2126 CG LYS B 54 7.658 4.417 -10.447 1.00 32.30 C ATOM 2127 CD LYS B 54 6.988 3.595 -11.578 1.00 32.33 C ATOM 2128 CE LYS B 54 7.969 3.099 -12.657 1.00 21.14 C ATOM 2129 NZ LYS B 54 9.012 2.198 -12.117 1.00 73.35 N ATOM 0 H LYS B 54 9.185 5.015 -8.560 1.00 1.42 H new ATOM 0 HA LYS B 54 9.777 7.233 -10.321 1.00 11.22 H new ATOM 0 HB2 LYS B 54 8.104 6.033 -11.812 1.00 0.30 H new ATOM 0 HB3 LYS B 54 9.503 5.082 -11.356 1.00 0.30 H new ATOM 0 HG2 LYS B 54 8.233 3.744 -9.810 1.00 32.30 H new ATOM 0 HG3 LYS B 54 6.883 4.862 -9.823 1.00 32.30 H new ATOM 0 HD2 LYS B 54 6.483 2.735 -11.138 1.00 32.33 H new ATOM 0 HD3 LYS B 54 6.221 4.207 -12.053 1.00 32.33 H new ATOM 0 HE2 LYS B 54 7.412 2.577 -13.435 1.00 21.14 H new ATOM 0 HE3 LYS B 54 8.447 3.958 -13.129 1.00 21.14 H new ATOM 0 HZ1 LYS B 54 9.951 2.549 -12.393 1.00 73.35 H new ATOM 0 HZ2 LYS B 54 8.944 2.171 -11.080 1.00 73.35 H new ATOM 0 HZ3 LYS B 54 8.875 1.240 -12.498 1.00 73.35 H new ATOM 2143 N VAL B 55 7.243 7.512 -8.383 1.00 33.00 N ATOM 2144 CA VAL B 55 6.123 8.399 -7.979 1.00 72.34 C ATOM 2145 C VAL B 55 6.386 9.095 -6.633 1.00 21.04 C ATOM 2146 O VAL B 55 7.263 8.701 -5.852 1.00 1.21 O ATOM 2147 CB VAL B 55 4.726 7.664 -7.890 1.00 4.13 C ATOM 2148 CG1 VAL B 55 4.350 6.992 -9.230 1.00 54.44 C ATOM 2149 CG2 VAL B 55 4.682 6.668 -6.700 1.00 24.05 C ATOM 0 H VAL B 55 7.570 6.892 -7.642 1.00 33.00 H new ATOM 0 HA VAL B 55 6.072 9.138 -8.778 1.00 72.34 H new ATOM 0 HB VAL B 55 3.967 8.422 -7.696 1.00 4.13 H new ATOM 0 HG11 VAL B 55 3.384 6.497 -9.130 1.00 54.44 H new ATOM 0 HG12 VAL B 55 4.291 7.749 -10.012 1.00 54.44 H new ATOM 0 HG13 VAL B 55 5.109 6.256 -9.494 1.00 54.44 H new ATOM 0 HG21 VAL B 55 3.707 6.181 -6.669 1.00 24.05 H new ATOM 0 HG22 VAL B 55 5.460 5.915 -6.827 1.00 24.05 H new ATOM 0 HG23 VAL B 55 4.848 7.208 -5.768 1.00 24.05 H new ATOM 2159 N VAL B 56 5.589 10.146 -6.395 1.00 31.01 N ATOM 2160 CA VAL B 56 5.469 10.831 -5.102 1.00 32.11 C ATOM 2161 C VAL B 56 3.972 10.962 -4.739 1.00 0.01 C ATOM 2162 O VAL B 56 3.132 11.185 -5.618 1.00 1.03 O ATOM 2163 CB VAL B 56 6.169 12.252 -5.108 1.00 74.04 C ATOM 2164 CG1 VAL B 56 7.710 12.122 -5.235 1.00 54.03 C ATOM 2165 CG2 VAL B 56 5.603 13.154 -6.237 1.00 33.41 C ATOM 0 H VAL B 56 4.994 10.554 -7.117 1.00 31.01 H new ATOM 0 HA VAL B 56 5.984 10.234 -4.349 1.00 32.11 H new ATOM 0 HB VAL B 56 5.948 12.726 -4.152 1.00 74.04 H new ATOM 0 HG11 VAL B 56 8.160 13.115 -5.236 1.00 54.03 H new ATOM 0 HG12 VAL B 56 8.097 11.549 -4.393 1.00 54.03 H new ATOM 0 HG13 VAL B 56 7.957 11.611 -6.166 1.00 54.03 H new ATOM 0 HG21 VAL B 56 6.104 14.122 -6.215 1.00 33.41 H new ATOM 0 HG22 VAL B 56 5.775 12.679 -7.203 1.00 33.41 H new ATOM 0 HG23 VAL B 56 4.533 13.295 -6.087 1.00 33.41 H new ATOM 2175 N THR B 57 3.638 10.804 -3.451 1.00 33.33 N ATOM 2176 CA THR B 57 2.239 10.853 -2.965 1.00 55.21 C ATOM 2177 C THR B 57 1.932 12.220 -2.317 1.00 44.45 C ATOM 2178 O THR B 57 2.772 12.790 -1.611 1.00 20.32 O ATOM 2179 CB THR B 57 1.952 9.707 -1.933 1.00 14.44 C ATOM 2180 OG1 THR B 57 2.897 9.768 -0.847 1.00 64.15 O ATOM 2181 CG2 THR B 57 2.017 8.316 -2.591 1.00 15.22 C ATOM 0 H THR B 57 4.323 10.639 -2.713 1.00 33.33 H new ATOM 0 HA THR B 57 1.590 10.712 -3.830 1.00 55.21 H new ATOM 0 HB THR B 57 0.941 9.856 -1.553 1.00 14.44 H new ATOM 0 HG1 THR B 57 2.708 9.050 -0.208 1.00 64.15 H new ATOM 0 HG21 THR B 57 1.813 7.550 -1.843 1.00 15.22 H new ATOM 0 HG22 THR B 57 1.274 8.254 -3.386 1.00 15.22 H new ATOM 0 HG23 THR B 57 3.011 8.158 -3.010 1.00 15.22 H new ATOM 2189 N SER B 58 0.724 12.743 -2.587 1.00 70.50 N ATOM 2190 CA SER B 58 0.271 14.081 -2.124 1.00 0.51 C ATOM 2191 C SER B 58 -1.251 14.082 -1.868 1.00 11.24 C ATOM 2192 O SER B 58 -1.954 13.115 -2.181 1.00 45.42 O ATOM 2193 CB SER B 58 0.629 15.179 -3.174 1.00 1.25 C ATOM 2194 OG SER B 58 2.040 15.327 -3.348 1.00 75.15 O ATOM 0 H SER B 58 0.022 12.250 -3.138 1.00 70.50 H new ATOM 0 HA SER B 58 0.787 14.305 -1.190 1.00 0.51 H new ATOM 0 HB2 SER B 58 0.172 14.926 -4.131 1.00 1.25 H new ATOM 0 HB3 SER B 58 0.203 16.132 -2.859 1.00 1.25 H new ATOM 0 HG SER B 58 2.216 16.023 -4.015 1.00 75.15 H new ATOM 2200 N GLU B 59 -1.745 15.179 -1.278 1.00 11.24 N ATOM 2201 CA GLU B 59 -3.185 15.397 -1.024 1.00 33.15 C ATOM 2202 C GLU B 59 -3.634 16.711 -1.693 1.00 15.11 C ATOM 2203 O GLU B 59 -3.077 17.777 -1.415 1.00 21.21 O ATOM 2204 CB GLU B 59 -3.447 15.405 0.517 1.00 65.23 C ATOM 2205 CG GLU B 59 -4.902 15.732 0.981 1.00 34.32 C ATOM 2206 CD GLU B 59 -5.167 17.241 1.225 1.00 52.23 C ATOM 2207 OE1 GLU B 59 -4.583 17.798 2.172 1.00 34.44 O ATOM 2208 OE2 GLU B 59 -5.949 17.865 0.473 1.00 52.31 O ATOM 0 H GLU B 59 -1.156 15.949 -0.959 1.00 11.24 H new ATOM 0 HA GLU B 59 -3.772 14.587 -1.457 1.00 33.15 H new ATOM 0 HB2 GLU B 59 -3.176 14.426 0.913 1.00 65.23 H new ATOM 0 HB3 GLU B 59 -2.774 16.131 0.973 1.00 65.23 H new ATOM 0 HG2 GLU B 59 -5.602 15.369 0.228 1.00 34.32 H new ATOM 0 HG3 GLU B 59 -5.110 15.185 1.900 1.00 34.32 H new ATOM 2215 N VAL B 60 -4.625 16.614 -2.595 1.00 74.53 N ATOM 2216 CA VAL B 60 -5.263 17.778 -3.248 1.00 22.33 C ATOM 2217 C VAL B 60 -6.777 17.803 -2.926 1.00 30.21 C ATOM 2218 O VAL B 60 -7.533 16.925 -3.360 1.00 22.21 O ATOM 2219 CB VAL B 60 -5.017 17.774 -4.813 1.00 25.51 C ATOM 2220 CG1 VAL B 60 -5.952 18.753 -5.580 1.00 34.44 C ATOM 2221 CG2 VAL B 60 -3.535 18.101 -5.127 1.00 24.23 C ATOM 0 H VAL B 60 -5.012 15.720 -2.896 1.00 74.53 H new ATOM 0 HA VAL B 60 -4.804 18.684 -2.852 1.00 22.33 H new ATOM 0 HB VAL B 60 -5.256 16.769 -5.162 1.00 25.51 H new ATOM 0 HG11 VAL B 60 -5.734 18.704 -6.647 1.00 34.44 H new ATOM 0 HG12 VAL B 60 -6.991 18.473 -5.409 1.00 34.44 H new ATOM 0 HG13 VAL B 60 -5.786 19.769 -5.223 1.00 34.44 H new ATOM 0 HG21 VAL B 60 -3.382 18.094 -6.206 1.00 24.23 H new ATOM 0 HG22 VAL B 60 -3.288 19.086 -4.731 1.00 24.23 H new ATOM 0 HG23 VAL B 60 -2.891 17.353 -4.665 1.00 24.23 H new ATOM 2231 N GLU B 61 -7.181 18.839 -2.160 1.00 12.34 N ATOM 2232 CA GLU B 61 -8.593 19.180 -1.848 1.00 54.53 C ATOM 2233 C GLU B 61 -9.425 17.980 -1.301 1.00 70.52 C ATOM 2234 O GLU B 61 -10.567 17.753 -1.716 1.00 43.14 O ATOM 2235 CB GLU B 61 -9.238 19.829 -3.113 1.00 52.41 C ATOM 2236 CG GLU B 61 -8.418 21.003 -3.707 1.00 1.04 C ATOM 2237 CD GLU B 61 -8.200 22.163 -2.714 1.00 65.35 C ATOM 2238 OE1 GLU B 61 -9.115 22.993 -2.542 1.00 53.03 O ATOM 2239 OE2 GLU B 61 -7.115 22.240 -2.090 1.00 54.13 O ATOM 0 H GLU B 61 -6.518 19.482 -1.727 1.00 12.34 H new ATOM 0 HA GLU B 61 -8.598 19.896 -1.026 1.00 54.53 H new ATOM 0 HB2 GLU B 61 -9.363 19.063 -3.878 1.00 52.41 H new ATOM 0 HB3 GLU B 61 -10.234 20.189 -2.856 1.00 52.41 H new ATOM 0 HG2 GLU B 61 -7.448 20.629 -4.036 1.00 1.04 H new ATOM 0 HG3 GLU B 61 -8.930 21.383 -4.591 1.00 1.04 H new ATOM 2246 N GLY B 62 -8.821 17.232 -0.361 1.00 70.23 N ATOM 2247 CA GLY B 62 -9.483 16.094 0.308 1.00 24.13 C ATOM 2248 C GLY B 62 -9.407 14.766 -0.466 1.00 11.25 C ATOM 2249 O GLY B 62 -9.987 13.761 -0.039 1.00 62.20 O ATOM 0 H GLY B 62 -7.866 17.396 -0.044 1.00 70.23 H new ATOM 0 HA2 GLY B 62 -9.032 15.954 1.290 1.00 24.13 H new ATOM 0 HA3 GLY B 62 -10.531 16.345 0.472 1.00 24.13 H new ATOM 2253 N GLU B 63 -8.701 14.769 -1.602 1.00 62.12 N ATOM 2254 CA GLU B 63 -8.542 13.587 -2.487 1.00 5.42 C ATOM 2255 C GLU B 63 -7.045 13.187 -2.614 1.00 20.01 C ATOM 2256 O GLU B 63 -6.160 14.050 -2.565 1.00 23.35 O ATOM 2257 CB GLU B 63 -9.147 13.953 -3.878 1.00 75.22 C ATOM 2258 CG GLU B 63 -8.997 12.898 -4.996 1.00 50.42 C ATOM 2259 CD GLU B 63 -9.723 11.568 -4.728 1.00 3.05 C ATOM 2260 OE1 GLU B 63 -10.953 11.493 -4.944 1.00 63.31 O ATOM 2261 OE2 GLU B 63 -9.069 10.592 -4.307 1.00 73.31 O ATOM 0 H GLU B 63 -8.214 15.597 -1.946 1.00 62.12 H new ATOM 0 HA GLU B 63 -9.063 12.727 -2.067 1.00 5.42 H new ATOM 0 HB2 GLU B 63 -10.209 14.159 -3.744 1.00 75.22 H new ATOM 0 HB3 GLU B 63 -8.683 14.879 -4.219 1.00 75.22 H new ATOM 0 HG2 GLU B 63 -9.373 13.320 -5.928 1.00 50.42 H new ATOM 0 HG3 GLU B 63 -7.937 12.694 -5.144 1.00 50.42 H new ATOM 2268 N ILE B 64 -6.775 11.870 -2.775 1.00 13.44 N ATOM 2269 CA ILE B 64 -5.407 11.347 -3.027 1.00 65.01 C ATOM 2270 C ILE B 64 -4.922 11.790 -4.429 1.00 23.01 C ATOM 2271 O ILE B 64 -5.595 11.531 -5.419 1.00 54.42 O ATOM 2272 CB ILE B 64 -5.358 9.769 -2.939 1.00 74.31 C ATOM 2273 CG1 ILE B 64 -5.928 9.275 -1.576 1.00 22.45 C ATOM 2274 CG2 ILE B 64 -3.916 9.231 -3.169 1.00 23.31 C ATOM 2275 CD1 ILE B 64 -5.988 7.760 -1.420 1.00 40.33 C ATOM 0 H ILE B 64 -7.491 11.144 -2.735 1.00 13.44 H new ATOM 0 HA ILE B 64 -4.754 11.755 -2.256 1.00 65.01 H new ATOM 0 HB ILE B 64 -5.987 9.371 -3.736 1.00 74.31 H new ATOM 0 HG12 ILE B 64 -5.316 9.685 -0.772 1.00 22.45 H new ATOM 0 HG13 ILE B 64 -6.932 9.679 -1.450 1.00 22.45 H new ATOM 0 HG21 ILE B 64 -3.919 8.143 -3.102 1.00 23.31 H new ATOM 0 HG22 ILE B 64 -3.568 9.533 -4.157 1.00 23.31 H new ATOM 0 HG23 ILE B 64 -3.250 9.640 -2.410 1.00 23.31 H new ATOM 0 HD11 ILE B 64 -6.398 7.511 -0.441 1.00 40.33 H new ATOM 0 HD12 ILE B 64 -6.625 7.339 -2.198 1.00 40.33 H new ATOM 0 HD13 ILE B 64 -4.984 7.345 -1.509 1.00 40.33 H new ATOM 2287 N PHE B 65 -3.764 12.461 -4.498 1.00 51.12 N ATOM 2288 CA PHE B 65 -3.164 12.927 -5.771 1.00 1.22 C ATOM 2289 C PHE B 65 -1.694 12.463 -5.858 1.00 32.21 C ATOM 2290 O PHE B 65 -0.857 12.889 -5.063 1.00 32.20 O ATOM 2291 CB PHE B 65 -3.270 14.472 -5.860 1.00 2.41 C ATOM 2292 CG PHE B 65 -2.753 15.088 -7.167 1.00 73.03 C ATOM 2293 CD1 PHE B 65 -3.495 14.992 -8.340 1.00 40.43 C ATOM 2294 CD2 PHE B 65 -1.535 15.770 -7.220 1.00 3.23 C ATOM 2295 CE1 PHE B 65 -3.044 15.550 -9.520 1.00 0.35 C ATOM 2296 CE2 PHE B 65 -1.090 16.331 -8.401 1.00 61.34 C ATOM 2297 CZ PHE B 65 -1.842 16.218 -9.552 1.00 31.44 C ATOM 0 H PHE B 65 -3.210 12.700 -3.675 1.00 51.12 H new ATOM 0 HA PHE B 65 -3.706 12.496 -6.613 1.00 1.22 H new ATOM 0 HB2 PHE B 65 -4.314 14.757 -5.731 1.00 2.41 H new ATOM 0 HB3 PHE B 65 -2.716 14.907 -5.028 1.00 2.41 H new ATOM 0 HD1 PHE B 65 -4.441 14.471 -8.328 1.00 40.43 H new ATOM 0 HD2 PHE B 65 -0.934 15.860 -6.327 1.00 3.23 H new ATOM 0 HE1 PHE B 65 -3.636 15.462 -10.419 1.00 0.35 H new ATOM 0 HE2 PHE B 65 -0.149 16.861 -8.424 1.00 61.34 H new ATOM 0 HZ PHE B 65 -1.488 16.653 -10.475 1.00 31.44 H new ATOM 2307 N VAL B 66 -1.389 11.580 -6.818 1.00 43.34 N ATOM 2308 CA VAL B 66 -0.035 11.004 -6.983 1.00 10.03 C ATOM 2309 C VAL B 66 0.596 11.440 -8.328 1.00 53.42 C ATOM 2310 O VAL B 66 -0.081 11.486 -9.363 1.00 31.41 O ATOM 2311 CB VAL B 66 -0.066 9.433 -6.843 1.00 61.32 C ATOM 2312 CG1 VAL B 66 -0.608 9.022 -5.448 1.00 33.42 C ATOM 2313 CG2 VAL B 66 -0.892 8.759 -7.971 1.00 23.45 C ATOM 0 H VAL B 66 -2.066 11.242 -7.502 1.00 43.34 H new ATOM 0 HA VAL B 66 0.595 11.393 -6.183 1.00 10.03 H new ATOM 0 HB VAL B 66 0.960 9.080 -6.942 1.00 61.32 H new ATOM 0 HG11 VAL B 66 -0.622 7.935 -5.369 1.00 33.42 H new ATOM 0 HG12 VAL B 66 0.037 9.434 -4.671 1.00 33.42 H new ATOM 0 HG13 VAL B 66 -1.619 9.408 -5.322 1.00 33.42 H new ATOM 0 HG21 VAL B 66 -0.884 7.678 -7.832 1.00 23.45 H new ATOM 0 HG22 VAL B 66 -1.919 9.122 -7.936 1.00 23.45 H new ATOM 0 HG23 VAL B 66 -0.454 9.003 -8.939 1.00 23.45 H new ATOM 2323 N LYS B 67 1.902 11.772 -8.297 1.00 2.01 N ATOM 2324 CA LYS B 67 2.633 12.325 -9.467 1.00 23.44 C ATOM 2325 C LYS B 67 3.817 11.426 -9.850 1.00 51.11 C ATOM 2326 O LYS B 67 4.293 10.663 -9.026 1.00 40.34 O ATOM 2327 CB LYS B 67 3.159 13.751 -9.140 1.00 44.24 C ATOM 2328 CG LYS B 67 2.067 14.769 -8.743 1.00 5.14 C ATOM 2329 CD LYS B 67 2.631 16.186 -8.480 1.00 54.30 C ATOM 2330 CE LYS B 67 3.642 16.231 -7.317 1.00 42.14 C ATOM 2331 NZ LYS B 67 4.287 17.556 -7.203 1.00 10.14 N ATOM 0 H LYS B 67 2.483 11.667 -7.465 1.00 2.01 H new ATOM 0 HA LYS B 67 1.940 12.370 -10.307 1.00 23.44 H new ATOM 0 HB2 LYS B 67 3.882 13.679 -8.327 1.00 44.24 H new ATOM 0 HB3 LYS B 67 3.694 14.134 -10.009 1.00 44.24 H new ATOM 0 HG2 LYS B 67 1.321 14.822 -9.536 1.00 5.14 H new ATOM 0 HG3 LYS B 67 1.556 14.415 -7.848 1.00 5.14 H new ATOM 0 HD2 LYS B 67 3.113 16.552 -9.386 1.00 54.30 H new ATOM 0 HD3 LYS B 67 1.806 16.864 -8.262 1.00 54.30 H new ATOM 0 HE2 LYS B 67 3.133 15.993 -6.383 1.00 42.14 H new ATOM 0 HE3 LYS B 67 4.405 15.467 -7.468 1.00 42.14 H new ATOM 0 HZ1 LYS B 67 5.276 17.489 -7.517 1.00 10.14 H new ATOM 0 HZ2 LYS B 67 3.780 18.241 -7.799 1.00 10.14 H new ATOM 0 HZ3 LYS B 67 4.259 17.872 -6.212 1.00 10.14 H new ATOM 2345 N LEU B 68 4.321 11.560 -11.089 1.00 22.21 N ATOM 2346 CA LEU B 68 5.521 10.813 -11.559 1.00 72.51 C ATOM 2347 C LEU B 68 6.839 11.553 -11.196 1.00 64.10 C ATOM 2348 O LEU B 68 7.780 11.602 -11.997 1.00 71.25 O ATOM 2349 CB LEU B 68 5.409 10.555 -13.092 1.00 73.54 C ATOM 2350 CG LEU B 68 4.236 9.619 -13.536 1.00 13.41 C ATOM 2351 CD1 LEU B 68 4.192 9.446 -15.072 1.00 10.23 C ATOM 2352 CD2 LEU B 68 4.322 8.249 -12.823 1.00 13.24 C ATOM 0 H LEU B 68 3.920 12.180 -11.793 1.00 22.21 H new ATOM 0 HA LEU B 68 5.556 9.852 -11.045 1.00 72.51 H new ATOM 0 HB2 LEU B 68 5.295 11.515 -13.596 1.00 73.54 H new ATOM 0 HB3 LEU B 68 6.347 10.122 -13.439 1.00 73.54 H new ATOM 0 HG LEU B 68 3.304 10.098 -13.238 1.00 13.41 H new ATOM 0 HD11 LEU B 68 3.364 8.790 -15.341 1.00 10.23 H new ATOM 0 HD12 LEU B 68 4.052 10.419 -15.544 1.00 10.23 H new ATOM 0 HD13 LEU B 68 5.129 9.008 -15.416 1.00 10.23 H new ATOM 0 HD21 LEU B 68 3.496 7.617 -13.149 1.00 13.24 H new ATOM 0 HD22 LEU B 68 5.267 7.768 -13.073 1.00 13.24 H new ATOM 0 HD23 LEU B 68 4.263 8.396 -11.745 1.00 13.24 H new ATOM 2364 N VAL B 69 6.910 12.053 -9.930 1.00 52.21 N ATOM 2365 CA VAL B 69 8.017 12.918 -9.414 1.00 51.33 C ATOM 2366 C VAL B 69 8.184 14.188 -10.318 1.00 3.12 C ATOM 2367 O VAL B 69 9.283 14.723 -10.518 1.00 42.32 O ATOM 2368 CB VAL B 69 9.377 12.104 -9.251 1.00 52.42 C ATOM 2369 CG1 VAL B 69 10.449 12.896 -8.446 1.00 31.43 C ATOM 2370 CG2 VAL B 69 9.132 10.727 -8.588 1.00 64.14 C ATOM 0 H VAL B 69 6.193 11.866 -9.229 1.00 52.21 H new ATOM 0 HA VAL B 69 7.748 13.258 -8.414 1.00 51.33 H new ATOM 0 HB VAL B 69 9.763 11.949 -10.258 1.00 52.42 H new ATOM 0 HG11 VAL B 69 11.357 12.298 -8.363 1.00 31.43 H new ATOM 0 HG12 VAL B 69 10.675 13.829 -8.962 1.00 31.43 H new ATOM 0 HG13 VAL B 69 10.067 13.116 -7.449 1.00 31.43 H new ATOM 0 HG21 VAL B 69 10.079 10.196 -8.491 1.00 64.14 H new ATOM 0 HG22 VAL B 69 8.694 10.871 -7.600 1.00 64.14 H new ATOM 0 HG23 VAL B 69 8.450 10.142 -9.205 1.00 64.14 H new ATOM 2380 N LEU B 70 7.044 14.683 -10.837 1.00 75.31 N ATOM 2381 CA LEU B 70 7.005 15.821 -11.784 1.00 25.22 C ATOM 2382 C LEU B 70 6.087 16.953 -11.272 1.00 30.02 C ATOM 2383 O LEU B 70 5.002 16.692 -10.740 1.00 5.31 O ATOM 2384 CB LEU B 70 6.517 15.341 -13.177 1.00 60.52 C ATOM 2385 CG LEU B 70 7.457 14.357 -13.947 1.00 50.32 C ATOM 2386 CD1 LEU B 70 6.815 13.898 -15.272 1.00 51.13 C ATOM 2387 CD2 LEU B 70 8.855 14.984 -14.181 1.00 24.12 C ATOM 0 H LEU B 70 6.122 14.307 -10.613 1.00 75.31 H new ATOM 0 HA LEU B 70 8.017 16.217 -11.868 1.00 25.22 H new ATOM 0 HB2 LEU B 70 5.548 14.858 -13.051 1.00 60.52 H new ATOM 0 HB3 LEU B 70 6.356 16.219 -13.803 1.00 60.52 H new ATOM 0 HG LEU B 70 7.596 13.473 -13.325 1.00 50.32 H new ATOM 0 HD11 LEU B 70 7.491 13.215 -15.786 1.00 51.13 H new ATOM 0 HD12 LEU B 70 5.874 13.389 -15.063 1.00 51.13 H new ATOM 0 HD13 LEU B 70 6.626 14.765 -15.904 1.00 51.13 H new ATOM 0 HD21 LEU B 70 9.486 14.276 -14.718 1.00 24.12 H new ATOM 0 HD22 LEU B 70 8.751 15.896 -14.769 1.00 24.12 H new ATOM 0 HD23 LEU B 70 9.313 15.221 -13.221 1.00 24.12 H new ATOM 2399 N GLU B 71 6.560 18.200 -11.448 1.00 30.15 N ATOM 2400 CA GLU B 71 5.818 19.437 -11.120 1.00 62.50 C ATOM 2401 C GLU B 71 6.570 20.663 -11.693 1.00 3.03 C ATOM 2402 O GLU B 71 7.763 20.577 -12.015 1.00 73.24 O ATOM 2403 CB GLU B 71 5.607 19.584 -9.581 1.00 74.33 C ATOM 2404 CG GLU B 71 6.893 19.731 -8.741 1.00 13.10 C ATOM 2405 CD GLU B 71 6.615 19.800 -7.231 1.00 1.45 C ATOM 2406 OE1 GLU B 71 6.146 20.846 -6.755 1.00 12.35 O ATOM 2407 OE2 GLU B 71 6.825 18.787 -6.521 1.00 64.32 O ATOM 0 H GLU B 71 7.488 18.383 -11.830 1.00 30.15 H new ATOM 0 HA GLU B 71 4.830 19.379 -11.577 1.00 62.50 H new ATOM 0 HB2 GLU B 71 4.976 20.454 -9.401 1.00 74.33 H new ATOM 0 HB3 GLU B 71 5.059 18.713 -9.223 1.00 74.33 H new ATOM 0 HG2 GLU B 71 7.553 18.888 -8.946 1.00 13.10 H new ATOM 0 HG3 GLU B 71 7.422 20.633 -9.050 1.00 13.10 H new ATOM 2414 N HIS B 72 5.873 21.811 -11.806 1.00 20.21 N ATOM 2415 CA HIS B 72 6.436 23.042 -12.431 1.00 53.12 C ATOM 2416 C HIS B 72 6.693 24.175 -11.399 1.00 0.21 C ATOM 2417 O HIS B 72 6.630 25.361 -11.742 1.00 13.10 O ATOM 2418 CB HIS B 72 5.503 23.507 -13.591 1.00 31.14 C ATOM 2419 CG HIS B 72 4.053 23.694 -13.205 1.00 41.31 C ATOM 2420 ND1 HIS B 72 3.122 22.675 -13.264 1.00 23.30 N ATOM 2421 CD2 HIS B 72 3.370 24.783 -12.778 1.00 63.23 C ATOM 2422 CE1 HIS B 72 1.946 23.130 -12.894 1.00 53.20 C ATOM 2423 NE2 HIS B 72 2.064 24.402 -12.594 1.00 70.44 N ATOM 0 H HIS B 72 4.915 21.919 -11.474 1.00 20.21 H new ATOM 0 HA HIS B 72 7.416 22.798 -12.841 1.00 53.12 H new ATOM 0 HB2 HIS B 72 5.883 24.448 -13.988 1.00 31.14 H new ATOM 0 HB3 HIS B 72 5.558 22.776 -14.397 1.00 31.14 H new ATOM 0 HD2 HIS B 72 3.778 25.769 -12.613 1.00 63.23 H new ATOM 0 HE1 HIS B 72 1.034 22.553 -12.845 1.00 53.20 H new ATOM 0 HE2 HIS B 72 1.308 25.009 -12.276 1.00 70.44 H new ATOM 2432 N HIS B 73 7.012 23.794 -10.143 1.00 24.11 N ATOM 2433 CA HIS B 73 7.406 24.750 -9.077 1.00 22.11 C ATOM 2434 C HIS B 73 8.292 24.066 -7.996 1.00 14.55 C ATOM 2435 O HIS B 73 7.818 23.211 -7.243 1.00 20.03 O ATOM 2436 CB HIS B 73 6.162 25.465 -8.452 1.00 10.14 C ATOM 2437 CG HIS B 73 4.971 24.583 -8.121 1.00 54.01 C ATOM 2438 ND1 HIS B 73 4.998 23.566 -7.191 1.00 23.11 N ATOM 2439 CD2 HIS B 73 3.693 24.612 -8.585 1.00 3.44 C ATOM 2440 CE1 HIS B 73 3.805 23.016 -7.095 1.00 74.34 C ATOM 2441 NE2 HIS B 73 2.997 23.630 -7.927 1.00 72.44 N ATOM 0 H HIS B 73 7.005 22.821 -9.837 1.00 24.11 H new ATOM 0 HA HIS B 73 8.014 25.526 -9.543 1.00 22.11 H new ATOM 0 HB2 HIS B 73 6.480 25.967 -7.538 1.00 10.14 H new ATOM 0 HB3 HIS B 73 5.831 26.241 -9.143 1.00 10.14 H new ATOM 0 HD1 HIS B 73 5.819 23.282 -6.657 1.00 23.11 H new ATOM 0 HD2 HIS B 73 3.299 25.284 -9.333 1.00 3.44 H new ATOM 0 HE1 HIS B 73 3.537 22.198 -6.442 1.00 74.34 H new ATOM 2450 N HIS B 74 9.592 24.444 -7.954 1.00 41.04 N ATOM 2451 CA HIS B 74 10.566 23.913 -6.961 1.00 75.22 C ATOM 2452 C HIS B 74 10.304 24.465 -5.523 1.00 53.25 C ATOM 2453 O HIS B 74 10.946 25.418 -5.056 1.00 2.23 O ATOM 2454 CB HIS B 74 12.042 24.145 -7.430 1.00 21.10 C ATOM 2455 CG HIS B 74 12.367 25.496 -8.031 1.00 31.44 C ATOM 2456 ND1 HIS B 74 13.197 25.639 -9.126 1.00 74.34 N ATOM 2457 CD2 HIS B 74 11.994 26.757 -7.694 1.00 51.11 C ATOM 2458 CE1 HIS B 74 13.326 26.914 -9.426 1.00 73.52 C ATOM 2459 NE2 HIS B 74 12.605 27.613 -8.577 1.00 41.04 N ATOM 0 H HIS B 74 9.996 25.121 -8.601 1.00 41.04 H new ATOM 0 HA HIS B 74 10.414 22.835 -6.903 1.00 75.22 H new ATOM 0 HB2 HIS B 74 12.698 23.988 -6.574 1.00 21.10 H new ATOM 0 HB3 HIS B 74 12.288 23.379 -8.165 1.00 21.10 H new ATOM 0 HD2 HIS B 74 11.338 27.035 -6.882 1.00 51.11 H new ATOM 0 HE1 HIS B 74 13.922 27.317 -10.231 1.00 73.52 H new ATOM 0 HE2 HIS B 74 12.514 28.629 -8.575 1.00 41.04 H new ATOM 2468 N HIS B 75 9.323 23.845 -4.854 1.00 53.15 N ATOM 2469 CA HIS B 75 8.864 24.217 -3.499 1.00 33.22 C ATOM 2470 C HIS B 75 9.867 23.794 -2.375 1.00 24.12 C ATOM 2471 O HIS B 75 9.921 22.633 -1.964 1.00 74.11 O ATOM 2472 CB HIS B 75 7.436 23.623 -3.244 1.00 41.01 C ATOM 2473 CG HIS B 75 7.306 22.108 -3.345 1.00 31.40 C ATOM 2474 ND1 HIS B 75 6.400 21.384 -2.604 1.00 2.13 N ATOM 2475 CD2 HIS B 75 7.950 21.192 -4.114 1.00 0.43 C ATOM 2476 CE1 HIS B 75 6.490 20.108 -2.915 1.00 22.43 C ATOM 2477 NE2 HIS B 75 7.420 19.961 -3.830 1.00 3.11 N ATOM 0 H HIS B 75 8.812 23.053 -5.244 1.00 53.15 H new ATOM 0 HA HIS B 75 8.815 25.305 -3.456 1.00 33.22 H new ATOM 0 HB2 HIS B 75 7.111 23.928 -2.249 1.00 41.01 H new ATOM 0 HB3 HIS B 75 6.746 24.074 -3.957 1.00 41.01 H new ATOM 0 HD2 HIS B 75 8.739 21.397 -4.823 1.00 0.43 H new ATOM 0 HE1 HIS B 75 5.897 19.313 -2.488 1.00 22.43 H new ATOM 0 HE2 HIS B 75 7.701 19.079 -4.258 1.00 3.11 H new ATOM 2486 N HIS B 76 10.698 24.751 -1.926 1.00 4.11 N ATOM 2487 CA HIS B 76 11.553 24.587 -0.720 1.00 61.52 C ATOM 2488 C HIS B 76 10.798 25.028 0.559 1.00 60.53 C ATOM 2489 O HIS B 76 11.040 24.489 1.645 1.00 53.45 O ATOM 2490 CB HIS B 76 12.883 25.374 -0.876 1.00 53.14 C ATOM 2491 CG HIS B 76 13.819 24.772 -1.899 1.00 2.14 C ATOM 2492 ND1 HIS B 76 14.850 23.916 -1.559 1.00 42.14 N ATOM 2493 CD2 HIS B 76 13.863 24.882 -3.249 1.00 10.21 C ATOM 2494 CE1 HIS B 76 15.476 23.525 -2.646 1.00 74.23 C ATOM 2495 NE2 HIS B 76 14.906 24.100 -3.681 1.00 21.33 N ATOM 0 H HIS B 76 10.801 25.658 -2.381 1.00 4.11 H new ATOM 0 HA HIS B 76 11.795 23.529 -0.619 1.00 61.52 H new ATOM 0 HB2 HIS B 76 12.657 26.402 -1.161 1.00 53.14 H new ATOM 0 HB3 HIS B 76 13.388 25.414 0.089 1.00 53.14 H new ATOM 0 HD2 HIS B 76 13.203 25.472 -3.868 1.00 10.21 H new ATOM 0 HE1 HIS B 76 16.316 22.847 -2.683 1.00 74.23 H new ATOM 0 HE2 HIS B 76 15.193 23.984 -4.653 1.00 21.33 H new ATOM 2504 N HIS B 77 9.889 26.020 0.424 1.00 63.42 N ATOM 2505 CA HIS B 77 8.997 26.457 1.536 1.00 64.43 C ATOM 2506 C HIS B 77 7.590 25.835 1.407 1.00 34.54 C ATOM 2507 O HIS B 77 7.137 25.486 0.310 1.00 73.00 O ATOM 2508 CB HIS B 77 8.933 28.016 1.630 1.00 2.42 C ATOM 2509 CG HIS B 77 8.518 28.763 0.374 1.00 24.33 C ATOM 2510 ND1 HIS B 77 9.253 29.809 -0.156 1.00 43.52 N ATOM 2511 CD2 HIS B 77 7.418 28.660 -0.419 1.00 13.20 C ATOM 2512 CE1 HIS B 77 8.632 30.301 -1.208 1.00 44.34 C ATOM 2513 NE2 HIS B 77 7.523 29.624 -1.390 1.00 12.42 N ATOM 0 H HIS B 77 9.749 26.538 -0.444 1.00 63.42 H new ATOM 0 HA HIS B 77 9.426 26.092 2.469 1.00 64.43 H new ATOM 0 HB2 HIS B 77 8.238 28.280 2.427 1.00 2.42 H new ATOM 0 HB3 HIS B 77 9.916 28.378 1.931 1.00 2.42 H new ATOM 0 HD2 HIS B 77 6.611 27.951 -0.306 1.00 13.20 H new ATOM 0 HE1 HIS B 77 8.977 31.123 -1.818 1.00 44.34 H new ATOM 0 HE2 HIS B 77 6.846 29.788 -2.135 1.00 12.42 H new TER 2522 HIS B 77