USER MOD reduce.3.24.130724 H: found=0, std=0, add=1141, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 1137 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 Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 131:sc= 0.0489 (180deg=0) USER MOD Single : A 3 HIS : no HD1:sc=-0.000475 X(o=-0.00047,f=0) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 5 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 8 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 GLN : amide:sc= 0 X(o=0,f=-0.25) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 GLN : amide:sc= -0.215 X(o=-0.21,f=0) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 GLN : amide:sc= 0.26 X(o=0.26,f=0) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 GLN : amide:sc= -1.23! C(o=-1.2!,f=-6.4!) USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot -25:sc= 0.698 USER MOD Single : A 45 THR OG1 : rot 140:sc= 1.13 USER MOD Single : A 48 TYR OH : rot 180:sc= -0.541 USER MOD Single : A 49 MET CE :methyl -174:sc= -0.446 (180deg=-0.682) USER MOD Single : A 50 THR OG1 : rot 74:sc= 1.17 USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 ASN : amide:sc= 0.0435 X(o=0.043,f=-0.32) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 SER OG : rot 32:sc= 1.24 USER MOD Single : A 57 GLN : amide:sc= 0 K(o=0,f=-0.58) USER MOD Single : A 60 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00147) USER MOD Single : A 66 THR OG1 : rot 160:sc= 0.151 USER MOD Single : A 70 THR OG1 : rot -31:sc= 0.107 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 73 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 75 MET CE :methyl 172:sc= 0 (180deg=-0.0788) USER MOD Single : A 76 THR OG1 : rot 49:sc= 0.579 USER MOD Single : A 77 THR OG1 : rot 180:sc= 0 USER MOD Single : A 78 THR OG1 : rot 60:sc= 0.147 USER MOD Single : A 79 HIS : no HD1:sc= -1.05 K(o=-1.1,f=-2.6!) USER MOD Single : A 80 SER OG : rot 73:sc= 1.35 USER MOD Single : A 83 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 86 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 93 THR OG1 : rot 180:sc= -0.0156 USER MOD Single : A 99 THR OG1 : rot 68:sc= 0.623 USER MOD Single : A 101 THR OG1 : rot 109:sc= 0.985 USER MOD Single : A 103 GLN : amide:sc= -1.15 X(o=-1.1,f=-0.77) USER MOD Single : A 108 HIS : no HD1:sc= -0.609 K(o=-0.61,f=-2) USER MOD Single : A 110 MET CE :methyl 161:sc= 0 (180deg=-0.243) USER MOD Single : A 112 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 115 LYS NZ :NH3+ 156:sc= 1.12 (180deg=0.645) USER MOD Single : A 119 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 123 THR OG1 : rot 180:sc= 0.00486 USER MOD Single : A 125 ASN : amide:sc=-0.00435 K(o=-0.0044,f=-0.58) USER MOD Single : A 127 THR OG1 : rot 70:sc= 1.1 USER MOD Single : A 129 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 131 THR OG1 : rot 180:sc= -0.0147 USER MOD Single : A 135 THR OG1 : rot 180:sc= -0.362 USER MOD Single : A 137 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 141 THR OG1 : rot 180:sc= 0 USER MOD Single : A 143 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 144 LYS NZ :NH3+ -169:sc= 1.04 (180deg=0.664) USER MOD Single : A 145 ASN : amide:sc= -0.0898 X(o=-0.09,f=-0.09) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 46.198 36.136 -48.039 1.00 91.59 N ATOM 2 CA MET A 1 46.293 34.666 -48.215 1.00 91.72 C ATOM 3 C MET A 1 45.961 33.941 -46.924 1.00 90.32 C ATOM 4 O MET A 1 46.239 34.471 -45.850 1.00 89.78 O ATOM 5 CB MET A 1 47.693 34.234 -48.677 1.00 93.03 C ATOM 6 CG MET A 1 47.834 34.276 -50.200 1.00 94.34 C ATOM 7 SD MET A 1 49.499 33.818 -50.752 1.00 96.01 S ATOM 8 CE MET A 1 49.255 33.857 -52.545 1.00 97.29 C ATOM 0 H1 MET A 1 47.055 36.587 -48.417 1.00 91.59 H new ATOM 0 H2 MET A 1 45.365 36.494 -48.549 1.00 91.59 H new ATOM 0 H3 MET A 1 46.107 36.359 -47.027 1.00 91.59 H new ATOM 0 HA MET A 1 45.569 34.399 -48.985 1.00 91.72 H new ATOM 0 HB2 MET A 1 48.441 34.886 -48.226 1.00 93.03 H new ATOM 0 HB3 MET A 1 47.896 33.224 -48.322 1.00 93.03 H new ATOM 0 HG2 MET A 1 47.106 33.599 -50.648 1.00 94.34 H new ATOM 0 HG3 MET A 1 47.599 35.279 -50.557 1.00 94.34 H new ATOM 0 HE1 MET A 1 50.188 33.597 -53.045 1.00 97.29 H new ATOM 0 HE2 MET A 1 48.483 33.140 -52.823 1.00 97.29 H new ATOM 0 HE3 MET A 1 48.947 34.857 -52.849 1.00 97.29 H new ATOM 20 N GLY A 2 45.430 32.716 -47.014 1.00 89.82 N ATOM 21 CA GLY A 2 45.138 31.849 -45.864 1.00 88.57 C ATOM 22 C GLY A 2 43.670 31.900 -45.440 1.00 86.97 C ATOM 23 O GLY A 2 42.819 32.421 -46.152 1.00 86.91 O ATOM 0 H GLY A 2 45.186 32.290 -47.908 1.00 89.82 H new ATOM 0 HA2 GLY A 2 45.404 30.822 -46.113 1.00 88.57 H new ATOM 0 HA3 GLY A 2 45.765 32.146 -45.023 1.00 88.57 H new ATOM 27 N HIS A 3 43.366 31.330 -44.278 1.00 85.72 N ATOM 28 CA HIS A 3 42.033 31.377 -43.673 1.00 84.05 C ATOM 29 C HIS A 3 42.110 31.278 -42.136 1.00 82.52 C ATOM 30 O HIS A 3 42.885 30.476 -41.600 1.00 82.90 O ATOM 31 CB HIS A 3 41.146 30.268 -44.269 1.00 84.34 C ATOM 32 CG HIS A 3 39.679 30.472 -43.978 1.00 83.27 C ATOM 33 ND1 HIS A 3 38.869 29.695 -43.176 1.00 82.53 N ATOM 34 CD2 HIS A 3 38.903 31.487 -44.467 1.00 82.94 C ATOM 35 CE1 HIS A 3 37.640 30.244 -43.178 1.00 81.76 C ATOM 36 NE2 HIS A 3 37.611 31.339 -43.951 1.00 81.97 N ATOM 0 H HIS A 3 44.046 30.814 -43.720 1.00 85.72 H new ATOM 0 HA HIS A 3 41.580 32.341 -43.905 1.00 84.05 H new ATOM 0 HB2 HIS A 3 41.296 30.230 -45.348 1.00 84.34 H new ATOM 0 HB3 HIS A 3 41.460 29.304 -43.869 1.00 84.34 H new ATOM 0 HD2 HIS A 3 39.231 32.268 -45.136 1.00 82.94 H new ATOM 0 HE1 HIS A 3 36.793 29.856 -42.632 1.00 81.76 H new ATOM 0 HE2 HIS A 3 36.808 31.943 -44.127 1.00 81.97 H new ATOM 44 N THR A 4 41.283 32.091 -41.462 1.00 80.86 N ATOM 45 CA THR A 4 41.221 32.358 -40.014 1.00 79.27 C ATOM 46 C THR A 4 39.789 32.777 -39.707 1.00 77.59 C ATOM 47 O THR A 4 39.250 33.624 -40.415 1.00 77.55 O ATOM 48 CB THR A 4 42.227 33.476 -39.660 1.00 79.34 C ATOM 49 OG1 THR A 4 43.424 32.850 -39.286 1.00 79.65 O ATOM 50 CG2 THR A 4 41.829 34.419 -38.520 1.00 78.40 C ATOM 0 H THR A 4 40.575 32.629 -41.961 1.00 80.86 H new ATOM 0 HA THR A 4 41.486 31.482 -39.422 1.00 79.27 H new ATOM 0 HB THR A 4 42.292 34.106 -40.547 1.00 79.34 H new ATOM 0 HG1 THR A 4 44.091 33.530 -39.055 1.00 79.65 H new ATOM 0 HG21 THR A 4 42.616 35.158 -38.368 1.00 78.40 H new ATOM 0 HG22 THR A 4 40.899 34.926 -38.775 1.00 78.40 H new ATOM 0 HG23 THR A 4 41.689 33.844 -37.604 1.00 78.40 H new ATOM 58 N MET A 5 39.178 32.216 -38.662 1.00 76.26 N ATOM 59 CA MET A 5 37.789 32.497 -38.276 1.00 74.58 C ATOM 60 C MET A 5 37.571 32.186 -36.782 1.00 73.01 C ATOM 61 O MET A 5 37.846 31.048 -36.381 1.00 73.09 O ATOM 62 CB MET A 5 36.828 31.676 -39.160 1.00 74.71 C ATOM 63 CG MET A 5 35.361 31.824 -38.730 1.00 73.61 C ATOM 64 SD MET A 5 34.182 30.944 -39.787 1.00 73.82 S ATOM 65 CE MET A 5 32.713 31.121 -38.740 1.00 72.30 C ATOM 0 H MET A 5 39.639 31.543 -38.049 1.00 76.26 H new ATOM 0 HA MET A 5 37.582 33.556 -38.429 1.00 74.58 H new ATOM 0 HB2 MET A 5 36.933 31.994 -40.197 1.00 74.71 H new ATOM 0 HB3 MET A 5 37.111 30.624 -39.119 1.00 74.71 H new ATOM 0 HG2 MET A 5 35.256 31.461 -37.708 1.00 73.61 H new ATOM 0 HG3 MET A 5 35.102 32.883 -38.720 1.00 73.61 H new ATOM 0 HE1 MET A 5 31.863 30.638 -39.221 1.00 72.30 H new ATOM 0 HE2 MET A 5 32.897 30.653 -37.773 1.00 72.30 H new ATOM 0 HE3 MET A 5 32.495 32.179 -38.595 1.00 72.30 H new ATOM 75 N PRO A 6 37.097 33.151 -35.967 1.00 71.67 N ATOM 76 CA PRO A 6 36.780 32.931 -34.560 1.00 70.09 C ATOM 77 C PRO A 6 35.429 32.215 -34.409 1.00 68.76 C ATOM 78 O PRO A 6 34.577 32.283 -35.297 1.00 68.71 O ATOM 79 CB PRO A 6 36.747 34.329 -33.937 1.00 69.40 C ATOM 80 CG PRO A 6 36.225 35.195 -35.081 1.00 69.92 C ATOM 81 CD PRO A 6 36.838 34.543 -36.319 1.00 71.65 C ATOM 0 HA PRO A 6 37.512 32.291 -34.068 1.00 70.09 H new ATOM 0 HB2 PRO A 6 36.091 34.369 -33.067 1.00 69.40 H new ATOM 0 HB3 PRO A 6 37.735 34.648 -33.606 1.00 69.40 H new ATOM 0 HG2 PRO A 6 35.136 35.194 -35.123 1.00 69.92 H new ATOM 0 HG3 PRO A 6 36.539 36.234 -34.976 1.00 69.92 H new ATOM 0 HD2 PRO A 6 36.159 34.609 -37.169 1.00 71.65 H new ATOM 0 HD3 PRO A 6 37.760 35.048 -36.608 1.00 71.65 H new ATOM 89 N ALA A 7 35.231 31.554 -33.266 1.00 67.71 N ATOM 90 CA ALA A 7 33.985 30.859 -32.925 1.00 66.31 C ATOM 91 C ALA A 7 33.137 31.611 -31.878 1.00 64.47 C ATOM 92 O ALA A 7 33.669 32.289 -30.989 1.00 64.14 O ATOM 93 CB ALA A 7 34.365 29.456 -32.432 1.00 66.54 C ATOM 0 H ALA A 7 35.943 31.485 -32.539 1.00 67.71 H new ATOM 0 HA ALA A 7 33.353 30.805 -33.811 1.00 66.31 H new ATOM 0 HB1 ALA A 7 33.462 28.906 -32.168 1.00 66.54 H new ATOM 0 HB2 ALA A 7 34.896 28.924 -33.222 1.00 66.54 H new ATOM 0 HB3 ALA A 7 35.008 29.540 -31.556 1.00 66.54 H new ATOM 99 N HIS A 8 31.810 31.417 -31.907 1.00 63.28 N ATOM 100 CA HIS A 8 30.906 31.808 -30.825 1.00 61.49 C ATOM 101 C HIS A 8 29.681 30.873 -30.740 1.00 60.34 C ATOM 102 O HIS A 8 29.337 30.209 -31.715 1.00 60.88 O ATOM 103 CB HIS A 8 30.483 33.296 -30.950 1.00 61.42 C ATOM 104 CG HIS A 8 29.228 33.565 -31.780 1.00 61.18 C ATOM 105 ND1 HIS A 8 29.171 33.821 -33.128 1.00 61.75 N ATOM 106 CD2 HIS A 8 27.945 33.666 -31.303 1.00 60.44 C ATOM 107 CE1 HIS A 8 27.889 34.055 -33.453 1.00 61.38 C ATOM 108 NE2 HIS A 8 27.087 33.959 -32.364 1.00 60.57 N ATOM 0 H HIS A 8 31.333 30.978 -32.694 1.00 63.28 H new ATOM 0 HA HIS A 8 31.455 31.703 -29.889 1.00 61.49 H new ATOM 0 HB2 HIS A 8 30.325 33.694 -29.948 1.00 61.42 H new ATOM 0 HB3 HIS A 8 31.311 33.854 -31.387 1.00 61.42 H new ATOM 0 HD2 HIS A 8 27.647 33.539 -30.273 1.00 60.44 H new ATOM 0 HE1 HIS A 8 27.543 34.289 -34.449 1.00 61.38 H new ATOM 0 HE2 HIS A 8 26.074 34.076 -32.328 1.00 60.57 H new ATOM 116 N THR A 9 29.001 30.902 -29.590 1.00 58.80 N ATOM 117 CA THR A 9 27.627 30.431 -29.380 1.00 57.44 C ATOM 118 C THR A 9 27.116 31.023 -28.060 1.00 55.85 C ATOM 119 O THR A 9 27.884 31.014 -27.091 1.00 55.76 O ATOM 120 CB THR A 9 27.499 28.897 -29.413 1.00 57.38 C ATOM 121 OG1 THR A 9 26.143 28.567 -29.243 1.00 56.37 O ATOM 122 CG2 THR A 9 28.296 28.145 -28.344 1.00 56.98 C ATOM 0 H THR A 9 29.415 31.274 -28.735 1.00 58.80 H new ATOM 0 HA THR A 9 27.008 30.776 -30.208 1.00 57.44 H new ATOM 0 HB THR A 9 27.911 28.588 -30.374 1.00 57.38 H new ATOM 0 HG1 THR A 9 26.038 27.593 -29.262 1.00 56.37 H new ATOM 0 HG21 THR A 9 28.135 27.073 -28.457 1.00 56.98 H new ATOM 0 HG22 THR A 9 29.357 28.367 -28.458 1.00 56.98 H new ATOM 0 HG23 THR A 9 27.964 28.459 -27.354 1.00 56.98 H new ATOM 130 N PRO A 10 25.876 31.547 -27.996 1.00 54.72 N ATOM 131 CA PRO A 10 25.253 31.941 -26.743 1.00 53.20 C ATOM 132 C PRO A 10 24.742 30.701 -25.983 1.00 51.87 C ATOM 133 O PRO A 10 24.607 29.633 -26.589 1.00 51.91 O ATOM 134 CB PRO A 10 24.104 32.866 -27.155 1.00 52.69 C ATOM 135 CG PRO A 10 23.662 32.290 -28.497 1.00 53.32 C ATOM 136 CD PRO A 10 24.968 31.784 -29.109 1.00 54.93 C ATOM 0 HA PRO A 10 25.946 32.441 -26.066 1.00 53.20 H new ATOM 0 HB2 PRO A 10 23.295 32.854 -26.425 1.00 52.69 H new ATOM 0 HB3 PRO A 10 24.433 33.901 -27.249 1.00 52.69 H new ATOM 0 HG2 PRO A 10 22.938 31.485 -28.371 1.00 53.32 H new ATOM 0 HG3 PRO A 10 23.190 33.047 -29.124 1.00 53.32 H new ATOM 0 HD2 PRO A 10 24.802 30.869 -29.677 1.00 54.93 H new ATOM 0 HD3 PRO A 10 25.383 32.517 -29.800 1.00 54.93 H new ATOM 144 N PRO A 11 24.415 30.827 -24.681 1.00 50.73 N ATOM 145 CA PRO A 11 23.669 29.814 -23.948 1.00 49.32 C ATOM 146 C PRO A 11 22.212 29.788 -24.428 1.00 48.15 C ATOM 147 O PRO A 11 21.605 30.832 -24.667 1.00 48.07 O ATOM 148 CB PRO A 11 23.796 30.205 -22.472 1.00 48.72 C ATOM 149 CG PRO A 11 23.951 31.724 -22.519 1.00 49.25 C ATOM 150 CD PRO A 11 24.701 31.971 -23.828 1.00 50.79 C ATOM 0 HA PRO A 11 24.052 28.806 -24.107 1.00 49.32 H new ATOM 0 HB2 PRO A 11 22.916 29.909 -21.901 1.00 48.72 H new ATOM 0 HB3 PRO A 11 24.656 29.728 -22.003 1.00 48.72 H new ATOM 0 HG2 PRO A 11 22.983 32.226 -22.511 1.00 49.25 H new ATOM 0 HG3 PRO A 11 24.510 32.096 -21.661 1.00 49.25 H new ATOM 0 HD2 PRO A 11 24.371 32.898 -24.297 1.00 50.79 H new ATOM 0 HD3 PRO A 11 25.772 32.067 -23.651 1.00 50.79 H new ATOM 158 N ALA A 12 21.646 28.583 -24.558 1.00 47.31 N ATOM 159 CA ALA A 12 20.299 28.350 -25.079 1.00 46.26 C ATOM 160 C ALA A 12 19.418 27.602 -24.062 1.00 44.56 C ATOM 161 O ALA A 12 19.874 26.692 -23.368 1.00 44.43 O ATOM 162 CB ALA A 12 20.409 27.582 -26.403 1.00 47.07 C ATOM 0 H ALA A 12 22.126 27.722 -24.296 1.00 47.31 H new ATOM 0 HA ALA A 12 19.812 29.309 -25.257 1.00 46.26 H new ATOM 0 HB1 ALA A 12 19.411 27.401 -26.803 1.00 47.07 H new ATOM 0 HB2 ALA A 12 20.985 28.170 -27.118 1.00 47.07 H new ATOM 0 HB3 ALA A 12 20.909 26.629 -26.230 1.00 47.07 H new ATOM 168 N GLN A 13 18.140 27.982 -23.993 1.00 43.33 N ATOM 169 CA GLN A 13 17.174 27.555 -22.981 1.00 41.62 C ATOM 170 C GLN A 13 15.771 28.057 -23.354 1.00 40.57 C ATOM 171 O GLN A 13 15.646 29.104 -23.997 1.00 41.06 O ATOM 172 CB GLN A 13 17.611 28.036 -21.577 1.00 41.09 C ATOM 173 CG GLN A 13 17.856 29.558 -21.471 1.00 41.00 C ATOM 174 CD GLN A 13 18.479 29.998 -20.142 1.00 41.11 C ATOM 175 OE1 GLN A 13 18.514 29.287 -19.144 1.00 40.75 O ATOM 176 NE2 GLN A 13 18.989 31.216 -20.079 1.00 41.72 N ATOM 0 H GLN A 13 17.733 28.625 -24.672 1.00 43.33 H new ATOM 0 HA GLN A 13 17.139 26.466 -22.949 1.00 41.62 H new ATOM 0 HB2 GLN A 13 16.846 27.752 -20.855 1.00 41.09 H new ATOM 0 HB3 GLN A 13 18.525 27.513 -21.295 1.00 41.09 H new ATOM 0 HG2 GLN A 13 18.509 29.868 -22.287 1.00 41.00 H new ATOM 0 HG3 GLN A 13 16.908 30.079 -21.606 1.00 41.00 H new ATOM 0 HE21 GLN A 13 18.968 31.821 -20.900 1.00 41.72 H new ATOM 0 HE22 GLN A 13 19.403 31.551 -19.209 1.00 41.72 H new ATOM 185 N THR A 14 14.736 27.320 -22.933 1.00 39.21 N ATOM 186 CA THR A 14 13.317 27.667 -23.090 1.00 38.04 C ATOM 187 C THR A 14 12.635 27.459 -21.745 1.00 36.25 C ATOM 188 O THR A 14 12.974 26.531 -21.011 1.00 36.12 O ATOM 189 CB THR A 14 12.654 26.804 -24.179 1.00 38.66 C ATOM 190 OG1 THR A 14 13.408 26.867 -25.359 1.00 39.40 O ATOM 191 CG2 THR A 14 11.246 27.274 -24.540 1.00 38.07 C ATOM 0 H THR A 14 14.869 26.429 -22.454 1.00 39.21 H new ATOM 0 HA THR A 14 13.220 28.706 -23.405 1.00 38.04 H new ATOM 0 HB THR A 14 12.602 25.795 -23.769 1.00 38.66 H new ATOM 0 HG1 THR A 14 12.983 26.315 -26.048 1.00 39.40 H new ATOM 0 HG21 THR A 14 10.833 26.625 -25.313 1.00 38.07 H new ATOM 0 HG22 THR A 14 10.611 27.234 -23.655 1.00 38.07 H new ATOM 0 HG23 THR A 14 11.288 28.298 -24.910 1.00 38.07 H new ATOM 199 N ALA A 15 11.674 28.316 -21.410 1.00 34.96 N ATOM 200 CA ALA A 15 10.831 28.154 -20.226 1.00 33.21 C ATOM 201 C ALA A 15 9.607 27.285 -20.573 1.00 32.28 C ATOM 202 O ALA A 15 8.957 27.569 -21.585 1.00 32.44 O ATOM 203 CB ALA A 15 10.397 29.539 -19.723 1.00 32.62 C ATOM 0 H ALA A 15 11.456 29.149 -21.956 1.00 34.96 H new ATOM 0 HA ALA A 15 11.390 27.653 -19.436 1.00 33.21 H new ATOM 0 HB1 ALA A 15 9.768 29.425 -18.840 1.00 32.62 H new ATOM 0 HB2 ALA A 15 11.279 30.126 -19.467 1.00 32.62 H new ATOM 0 HB3 ALA A 15 9.835 30.051 -20.505 1.00 32.62 H new ATOM 209 N PRO A 16 9.271 26.257 -19.771 1.00 31.47 N ATOM 210 CA PRO A 16 8.015 25.536 -19.912 1.00 30.48 C ATOM 211 C PRO A 16 6.870 26.420 -19.403 1.00 28.84 C ATOM 212 O PRO A 16 7.035 27.167 -18.438 1.00 28.24 O ATOM 213 CB PRO A 16 8.186 24.263 -19.078 1.00 30.38 C ATOM 214 CG PRO A 16 9.130 24.701 -17.958 1.00 30.49 C ATOM 215 CD PRO A 16 10.031 25.729 -18.643 1.00 31.59 C ATOM 0 HA PRO A 16 7.773 25.281 -20.944 1.00 30.48 H new ATOM 0 HB2 PRO A 16 7.233 23.908 -18.685 1.00 30.38 H new ATOM 0 HB3 PRO A 16 8.610 23.450 -19.667 1.00 30.38 H new ATOM 0 HG2 PRO A 16 8.586 25.137 -17.120 1.00 30.49 H new ATOM 0 HG3 PRO A 16 9.703 23.862 -17.564 1.00 30.49 H new ATOM 0 HD2 PRO A 16 10.305 26.526 -17.952 1.00 31.59 H new ATOM 0 HD3 PRO A 16 10.959 25.268 -18.982 1.00 31.59 H new ATOM 223 N ALA A 17 5.699 26.317 -20.038 1.00 28.25 N ATOM 224 CA ALA A 17 4.474 26.980 -19.606 1.00 26.78 C ATOM 225 C ALA A 17 3.256 26.220 -20.152 1.00 26.11 C ATOM 226 O ALA A 17 3.030 26.194 -21.362 1.00 26.85 O ATOM 227 CB ALA A 17 4.491 28.449 -20.064 1.00 27.11 C ATOM 0 H ALA A 17 5.578 25.759 -20.883 1.00 28.25 H new ATOM 0 HA ALA A 17 4.407 26.974 -18.518 1.00 26.78 H new ATOM 0 HB1 ALA A 17 3.574 28.942 -19.740 1.00 27.11 H new ATOM 0 HB2 ALA A 17 5.350 28.957 -19.626 1.00 27.11 H new ATOM 0 HB3 ALA A 17 4.560 28.490 -21.151 1.00 27.11 H new ATOM 233 N ALA A 18 2.476 25.632 -19.239 1.00 24.82 N ATOM 234 CA ALA A 18 1.167 25.031 -19.490 1.00 24.01 C ATOM 235 C ALA A 18 0.358 24.993 -18.181 1.00 22.38 C ATOM 236 O ALA A 18 0.905 24.697 -17.117 1.00 22.12 O ATOM 237 CB ALA A 18 1.351 23.630 -20.099 1.00 24.66 C ATOM 0 H ALA A 18 2.755 25.560 -18.261 1.00 24.82 H new ATOM 0 HA ALA A 18 0.607 25.631 -20.207 1.00 24.01 H new ATOM 0 HB1 ALA A 18 0.374 23.183 -20.286 1.00 24.66 H new ATOM 0 HB2 ALA A 18 1.899 23.711 -21.038 1.00 24.66 H new ATOM 0 HB3 ALA A 18 1.911 23.002 -19.405 1.00 24.66 H new ATOM 243 N GLN A 19 -0.936 25.305 -18.244 1.00 21.46 N ATOM 244 CA GLN A 19 -1.824 25.397 -17.080 1.00 19.97 C ATOM 245 C GLN A 19 -3.262 25.552 -17.597 1.00 19.32 C ATOM 246 O GLN A 19 -3.481 26.322 -18.532 1.00 19.79 O ATOM 247 CB GLN A 19 -1.424 26.604 -16.195 1.00 19.61 C ATOM 248 CG GLN A 19 -1.923 26.546 -14.736 1.00 18.72 C ATOM 249 CD GLN A 19 -1.137 25.659 -13.760 1.00 18.54 C ATOM 250 OE1 GLN A 19 -1.558 25.441 -12.635 1.00 17.82 O ATOM 251 NE2 GLN A 19 0.003 25.090 -14.107 1.00 19.45 N ATOM 0 H GLN A 19 -1.409 25.506 -19.125 1.00 21.46 H new ATOM 0 HA GLN A 19 -1.744 24.500 -16.466 1.00 19.97 H new ATOM 0 HB2 GLN A 19 -0.337 26.683 -16.187 1.00 19.61 H new ATOM 0 HB3 GLN A 19 -1.806 27.514 -16.657 1.00 19.61 H new ATOM 0 HG2 GLN A 19 -1.928 27.562 -14.340 1.00 18.72 H new ATOM 0 HG3 GLN A 19 -2.957 26.203 -14.746 1.00 18.72 H new ATOM 0 HE21 GLN A 19 0.389 25.247 -15.038 1.00 19.45 H new ATOM 0 HE22 GLN A 19 0.498 24.493 -13.444 1.00 19.45 H new ATOM 260 N LYS A 20 -4.238 24.855 -17.001 1.00 18.42 N ATOM 261 CA LYS A 20 -5.671 25.113 -17.248 1.00 17.83 C ATOM 262 C LYS A 20 -6.231 26.106 -16.203 1.00 16.72 C ATOM 263 O LYS A 20 -5.757 26.146 -15.067 1.00 16.03 O ATOM 264 CB LYS A 20 -6.475 23.790 -17.273 1.00 17.89 C ATOM 265 CG LYS A 20 -6.108 22.853 -18.446 1.00 19.10 C ATOM 266 CD LYS A 20 -7.110 21.688 -18.612 1.00 19.92 C ATOM 267 CE LYS A 20 -6.712 20.779 -19.791 1.00 21.62 C ATOM 268 NZ LYS A 20 -7.755 19.771 -20.138 1.00 22.71 N ATOM 0 H LYS A 20 -4.063 24.100 -16.338 1.00 18.42 H new ATOM 0 HA LYS A 20 -5.777 25.573 -18.231 1.00 17.83 H new ATOM 0 HB2 LYS A 20 -6.313 23.261 -16.334 1.00 17.89 H new ATOM 0 HB3 LYS A 20 -7.538 24.024 -17.327 1.00 17.89 H new ATOM 0 HG2 LYS A 20 -6.072 23.430 -19.370 1.00 19.10 H new ATOM 0 HG3 LYS A 20 -5.109 22.448 -18.284 1.00 19.10 H new ATOM 0 HD2 LYS A 20 -7.147 21.102 -17.693 1.00 19.92 H new ATOM 0 HD3 LYS A 20 -8.111 22.086 -18.777 1.00 19.92 H new ATOM 0 HE2 LYS A 20 -6.510 21.398 -20.665 1.00 21.62 H new ATOM 0 HE3 LYS A 20 -5.785 20.262 -19.545 1.00 21.62 H new ATOM 0 HZ1 LYS A 20 -7.426 19.192 -20.937 1.00 22.71 H new ATOM 0 HZ2 LYS A 20 -7.932 19.158 -19.317 1.00 22.71 H new ATOM 0 HZ3 LYS A 20 -8.635 20.259 -20.402 1.00 22.71 H new ATOM 282 N ALA A 21 -7.252 26.894 -16.572 1.00 16.85 N ATOM 283 CA ALA A 21 -7.802 27.976 -15.739 1.00 16.32 C ATOM 284 C ALA A 21 -8.454 27.528 -14.411 1.00 15.01 C ATOM 285 O ALA A 21 -8.503 28.304 -13.458 1.00 14.59 O ATOM 286 CB ALA A 21 -8.806 28.745 -16.602 1.00 17.35 C ATOM 0 H ALA A 21 -7.726 26.797 -17.470 1.00 16.85 H new ATOM 0 HA ALA A 21 -6.966 28.597 -15.418 1.00 16.32 H new ATOM 0 HB1 ALA A 21 -9.238 29.559 -16.020 1.00 17.35 H new ATOM 0 HB2 ALA A 21 -8.297 29.154 -17.475 1.00 17.35 H new ATOM 0 HB3 ALA A 21 -9.598 28.071 -16.927 1.00 17.35 H new ATOM 292 N GLY A 22 -8.942 26.286 -14.340 1.00 14.52 N ATOM 293 CA GLY A 22 -9.478 25.668 -13.124 1.00 13.35 C ATOM 294 C GLY A 22 -10.048 24.286 -13.416 1.00 12.75 C ATOM 295 O GLY A 22 -11.014 24.176 -14.161 1.00 13.13 O ATOM 0 H GLY A 22 -8.976 25.666 -15.149 1.00 14.52 H new ATOM 0 HA2 GLY A 22 -8.690 25.589 -12.375 1.00 13.35 H new ATOM 0 HA3 GLY A 22 -10.256 26.304 -12.702 1.00 13.35 H new ATOM 299 N ALA A 23 -9.426 23.245 -12.850 1.00 12.10 N ATOM 300 CA ALA A 23 -9.755 21.825 -13.040 1.00 11.61 C ATOM 301 C ALA A 23 -8.813 20.929 -12.218 1.00 10.98 C ATOM 302 O ALA A 23 -7.742 20.535 -12.684 1.00 11.70 O ATOM 303 CB ALA A 23 -9.729 21.435 -14.532 1.00 12.80 C ATOM 0 H ALA A 23 -8.639 23.376 -12.214 1.00 12.10 H new ATOM 0 HA ALA A 23 -10.771 21.669 -12.678 1.00 11.61 H new ATOM 0 HB1 ALA A 23 -9.977 20.379 -14.636 1.00 12.80 H new ATOM 0 HB2 ALA A 23 -10.458 22.034 -15.077 1.00 12.80 H new ATOM 0 HB3 ALA A 23 -8.734 21.616 -14.938 1.00 12.80 H new ATOM 309 N GLN A 24 -9.210 20.601 -10.989 1.00 10.04 N ATOM 310 CA GLN A 24 -8.532 19.695 -10.054 1.00 9.77 C ATOM 311 C GLN A 24 -9.562 19.161 -9.047 1.00 9.01 C ATOM 312 O GLN A 24 -9.512 19.463 -7.858 1.00 9.12 O ATOM 313 CB GLN A 24 -7.322 20.381 -9.377 1.00 10.27 C ATOM 314 CG GLN A 24 -5.986 20.163 -10.111 1.00 11.49 C ATOM 315 CD GLN A 24 -5.298 21.480 -10.441 1.00 12.36 C ATOM 316 OE1 GLN A 24 -4.713 22.118 -9.582 1.00 12.55 O ATOM 317 NE2 GLN A 24 -5.349 21.952 -11.670 1.00 13.20 N ATOM 0 H GLN A 24 -10.068 20.984 -10.592 1.00 10.04 H new ATOM 0 HA GLN A 24 -8.115 18.847 -10.597 1.00 9.77 H new ATOM 0 HB2 GLN A 24 -7.516 21.451 -9.308 1.00 10.27 H new ATOM 0 HB3 GLN A 24 -7.230 20.007 -8.357 1.00 10.27 H new ATOM 0 HG2 GLN A 24 -5.327 19.554 -9.492 1.00 11.49 H new ATOM 0 HG3 GLN A 24 -6.164 19.606 -11.031 1.00 11.49 H new ATOM 0 HE21 GLN A 24 -5.835 21.428 -12.398 1.00 13.20 H new ATOM 0 HE22 GLN A 24 -4.902 22.841 -11.894 1.00 13.20 H new ATOM 326 N ALA A 25 -10.504 18.349 -9.542 1.00 8.57 N ATOM 327 CA ALA A 25 -11.488 17.624 -8.734 1.00 7.98 C ATOM 328 C ALA A 25 -11.658 16.201 -9.288 1.00 7.56 C ATOM 329 O ALA A 25 -12.055 16.034 -10.446 1.00 8.01 O ATOM 330 CB ALA A 25 -12.808 18.409 -8.747 1.00 8.25 C ATOM 0 H ALA A 25 -10.604 18.175 -10.542 1.00 8.57 H new ATOM 0 HA ALA A 25 -11.153 17.534 -7.701 1.00 7.98 H new ATOM 0 HB1 ALA A 25 -13.551 17.881 -8.149 1.00 8.25 H new ATOM 0 HB2 ALA A 25 -12.645 19.402 -8.329 1.00 8.25 H new ATOM 0 HB3 ALA A 25 -13.166 18.501 -9.772 1.00 8.25 H new ATOM 336 N LEU A 26 -11.319 15.183 -8.485 1.00 7.04 N ATOM 337 CA LEU A 26 -11.228 13.781 -8.912 1.00 6.85 C ATOM 338 C LEU A 26 -12.206 12.913 -8.094 1.00 6.12 C ATOM 339 O LEU A 26 -11.924 12.645 -6.921 1.00 5.99 O ATOM 340 CB LEU A 26 -9.783 13.256 -8.729 1.00 7.25 C ATOM 341 CG LEU A 26 -8.755 13.662 -9.807 1.00 8.38 C ATOM 342 CD1 LEU A 26 -8.325 15.135 -9.733 1.00 9.13 C ATOM 343 CD2 LEU A 26 -7.506 12.781 -9.653 1.00 9.68 C ATOM 0 H LEU A 26 -11.096 15.315 -7.499 1.00 7.04 H new ATOM 0 HA LEU A 26 -11.495 13.722 -9.967 1.00 6.85 H new ATOM 0 HB2 LEU A 26 -9.416 13.600 -7.762 1.00 7.25 H new ATOM 0 HB3 LEU A 26 -9.819 12.167 -8.687 1.00 7.25 H new ATOM 0 HG LEU A 26 -9.242 13.523 -10.772 1.00 8.38 H new ATOM 0 HD11 LEU A 26 -7.602 15.343 -10.522 1.00 9.13 H new ATOM 0 HD12 LEU A 26 -9.197 15.776 -9.862 1.00 9.13 H new ATOM 0 HD13 LEU A 26 -7.870 15.333 -8.763 1.00 9.13 H new ATOM 0 HD21 LEU A 26 -6.771 13.057 -10.409 1.00 9.68 H new ATOM 0 HD22 LEU A 26 -7.079 12.926 -8.661 1.00 9.68 H new ATOM 0 HD23 LEU A 26 -7.781 11.734 -9.780 1.00 9.68 H new ATOM 355 N PRO A 27 -13.327 12.436 -8.674 1.00 5.98 N ATOM 356 CA PRO A 27 -14.241 11.508 -8.010 1.00 5.62 C ATOM 357 C PRO A 27 -13.663 10.085 -8.082 1.00 5.02 C ATOM 358 O PRO A 27 -13.982 9.311 -8.982 1.00 5.34 O ATOM 359 CB PRO A 27 -15.583 11.686 -8.731 1.00 6.27 C ATOM 360 CG PRO A 27 -15.178 12.065 -10.157 1.00 6.70 C ATOM 361 CD PRO A 27 -13.864 12.829 -9.973 1.00 6.59 C ATOM 0 HA PRO A 27 -14.379 11.699 -6.946 1.00 5.62 H new ATOM 0 HB2 PRO A 27 -16.173 10.770 -8.712 1.00 6.27 H new ATOM 0 HB3 PRO A 27 -16.188 12.464 -8.266 1.00 6.27 H new ATOM 0 HG2 PRO A 27 -15.043 11.183 -10.782 1.00 6.70 H new ATOM 0 HG3 PRO A 27 -15.936 12.683 -10.637 1.00 6.70 H new ATOM 0 HD2 PRO A 27 -13.162 12.588 -10.771 1.00 6.59 H new ATOM 0 HD3 PRO A 27 -14.034 13.905 -10.012 1.00 6.59 H new ATOM 369 N VAL A 28 -12.765 9.767 -7.146 1.00 4.43 N ATOM 370 CA VAL A 28 -11.990 8.518 -7.064 1.00 3.99 C ATOM 371 C VAL A 28 -11.803 8.199 -5.583 1.00 3.72 C ATOM 372 O VAL A 28 -11.537 9.114 -4.800 1.00 4.09 O ATOM 373 CB VAL A 28 -10.588 8.670 -7.716 1.00 4.29 C ATOM 374 CG1 VAL A 28 -9.805 7.344 -7.703 1.00 4.11 C ATOM 375 CG2 VAL A 28 -10.647 9.175 -9.168 1.00 5.17 C ATOM 0 H VAL A 28 -12.544 10.406 -6.382 1.00 4.43 H new ATOM 0 HA VAL A 28 -12.524 7.729 -7.594 1.00 3.99 H new ATOM 0 HB VAL A 28 -10.077 9.415 -7.106 1.00 4.29 H new ATOM 0 HG11 VAL A 28 -8.830 7.492 -8.168 1.00 4.11 H new ATOM 0 HG12 VAL A 28 -9.669 7.012 -6.674 1.00 4.11 H new ATOM 0 HG13 VAL A 28 -10.360 6.588 -8.258 1.00 4.11 H new ATOM 0 HG21 VAL A 28 -9.635 9.259 -9.565 1.00 5.17 H new ATOM 0 HG22 VAL A 28 -11.218 8.472 -9.775 1.00 5.17 H new ATOM 0 HG23 VAL A 28 -11.130 10.152 -9.194 1.00 5.17 H new ATOM 385 N THR A 29 -11.913 6.920 -5.208 1.00 3.37 N ATOM 386 CA THR A 29 -11.749 6.444 -3.830 1.00 3.21 C ATOM 387 C THR A 29 -10.499 5.598 -3.721 1.00 2.96 C ATOM 388 O THR A 29 -10.063 4.925 -4.646 1.00 3.37 O ATOM 389 CB THR A 29 -13.004 5.695 -3.366 1.00 3.37 C ATOM 390 OG1 THR A 29 -14.037 6.639 -3.301 1.00 3.94 O ATOM 391 CG2 THR A 29 -12.928 5.079 -1.965 1.00 3.62 C ATOM 0 H THR A 29 -12.123 6.171 -5.868 1.00 3.37 H new ATOM 0 HA THR A 29 -11.626 7.298 -3.163 1.00 3.21 H new ATOM 0 HB THR A 29 -13.144 4.878 -4.073 1.00 3.37 H new ATOM 0 HG1 THR A 29 -14.863 6.200 -3.008 1.00 3.94 H new ATOM 0 HG21 THR A 29 -13.867 4.574 -1.738 1.00 3.62 H new ATOM 0 HG22 THR A 29 -12.111 4.359 -1.928 1.00 3.62 H new ATOM 0 HG23 THR A 29 -12.752 5.865 -1.231 1.00 3.62 H new ATOM 399 N VAL A 30 -9.935 5.648 -2.527 1.00 2.79 N ATOM 400 CA VAL A 30 -8.783 4.877 -2.083 1.00 2.81 C ATOM 401 C VAL A 30 -9.027 4.406 -0.659 1.00 1.99 C ATOM 402 O VAL A 30 -9.652 5.098 0.140 1.00 2.47 O ATOM 403 CB VAL A 30 -7.481 5.704 -2.138 1.00 4.32 C ATOM 404 CG1 VAL A 30 -6.938 5.810 -3.571 1.00 5.73 C ATOM 405 CG2 VAL A 30 -7.589 7.108 -1.514 1.00 4.99 C ATOM 0 H VAL A 30 -10.289 6.265 -1.796 1.00 2.79 H new ATOM 0 HA VAL A 30 -8.661 4.027 -2.754 1.00 2.81 H new ATOM 0 HB VAL A 30 -6.778 5.146 -1.520 1.00 4.32 H new ATOM 0 HG11 VAL A 30 -6.021 6.399 -3.570 1.00 5.73 H new ATOM 0 HG12 VAL A 30 -6.728 4.812 -3.955 1.00 5.73 H new ATOM 0 HG13 VAL A 30 -7.680 6.294 -4.206 1.00 5.73 H new ATOM 0 HG21 VAL A 30 -6.629 7.618 -1.597 1.00 4.99 H new ATOM 0 HG22 VAL A 30 -8.351 7.682 -2.040 1.00 4.99 H new ATOM 0 HG23 VAL A 30 -7.863 7.019 -0.463 1.00 4.99 H new ATOM 415 N GLN A 31 -8.514 3.218 -0.357 1.00 1.68 N ATOM 416 CA GLN A 31 -8.436 2.661 0.995 1.00 1.82 C ATOM 417 C GLN A 31 -7.475 3.438 1.916 1.00 1.82 C ATOM 418 O GLN A 31 -7.472 3.185 3.114 1.00 3.05 O ATOM 419 CB GLN A 31 -8.073 1.165 0.912 1.00 2.82 C ATOM 420 CG GLN A 31 -7.144 0.760 -0.249 1.00 3.40 C ATOM 421 CD GLN A 31 -5.839 1.560 -0.339 1.00 3.02 C ATOM 422 OE1 GLN A 31 -5.171 1.767 0.645 1.00 4.08 O ATOM 423 NE2 GLN A 31 -5.360 2.019 -1.479 1.00 2.28 N ATOM 0 H GLN A 31 -8.128 2.594 -1.066 1.00 1.68 H new ATOM 0 HA GLN A 31 -9.418 2.766 1.457 1.00 1.82 H new ATOM 0 HB2 GLN A 31 -7.599 0.874 1.849 1.00 2.82 H new ATOM 0 HB3 GLN A 31 -8.996 0.591 0.830 1.00 2.82 H new ATOM 0 HG2 GLN A 31 -6.899 -0.297 -0.148 1.00 3.40 H new ATOM 0 HG3 GLN A 31 -7.688 0.873 -1.187 1.00 3.40 H new ATOM 0 HE21 GLN A 31 -5.879 1.875 -2.345 1.00 2.28 H new ATOM 0 HE22 GLN A 31 -4.470 2.518 -1.494 1.00 2.28 H new ATOM 432 N GLY A 32 -6.679 4.373 1.377 1.00 1.91 N ATOM 433 CA GLY A 32 -5.890 5.356 2.136 1.00 2.45 C ATOM 434 C GLY A 32 -4.549 4.851 2.677 1.00 2.29 C ATOM 435 O GLY A 32 -3.797 5.673 3.186 1.00 3.10 O ATOM 0 H GLY A 32 -6.563 4.469 0.368 1.00 1.91 H new ATOM 0 HA2 GLY A 32 -5.702 6.217 1.495 1.00 2.45 H new ATOM 0 HA3 GLY A 32 -6.491 5.708 2.975 1.00 2.45 H new ATOM 439 N ALA A 33 -4.284 3.542 2.541 1.00 1.54 N ATOM 440 CA ALA A 33 -3.225 2.706 3.110 1.00 1.36 C ATOM 441 C ALA A 33 -3.619 2.192 4.499 1.00 1.09 C ATOM 442 O ALA A 33 -3.936 2.977 5.395 1.00 1.26 O ATOM 443 CB ALA A 33 -1.863 3.412 3.110 1.00 1.84 C ATOM 0 H ALA A 33 -4.891 2.975 1.950 1.00 1.54 H new ATOM 0 HA ALA A 33 -3.109 1.836 2.463 1.00 1.36 H new ATOM 0 HB1 ALA A 33 -1.111 2.752 3.542 1.00 1.84 H new ATOM 0 HB2 ALA A 33 -1.583 3.662 2.087 1.00 1.84 H new ATOM 0 HB3 ALA A 33 -1.927 4.325 3.702 1.00 1.84 H new ATOM 449 N THR A 34 -3.581 0.866 4.684 1.00 1.17 N ATOM 450 CA THR A 34 -4.050 0.206 5.910 1.00 1.12 C ATOM 451 C THR A 34 -3.028 -0.815 6.394 1.00 1.14 C ATOM 452 O THR A 34 -2.749 -1.790 5.706 1.00 1.33 O ATOM 453 CB THR A 34 -5.432 -0.416 5.691 1.00 1.32 C ATOM 454 OG1 THR A 34 -5.544 -0.973 4.410 1.00 2.62 O ATOM 455 CG2 THR A 34 -6.544 0.627 5.825 1.00 2.59 C ATOM 0 H THR A 34 -3.222 0.217 3.984 1.00 1.17 H new ATOM 0 HA THR A 34 -4.154 0.954 6.696 1.00 1.12 H new ATOM 0 HB THR A 34 -5.539 -1.187 6.454 1.00 1.32 H new ATOM 0 HG1 THR A 34 -6.436 -1.364 4.300 1.00 2.62 H new ATOM 0 HG21 THR A 34 -7.511 0.151 5.663 1.00 2.59 H new ATOM 0 HG22 THR A 34 -6.516 1.062 6.824 1.00 2.59 H new ATOM 0 HG23 THR A 34 -6.398 1.412 5.083 1.00 2.59 H new ATOM 463 N VAL A 35 -2.435 -0.552 7.557 1.00 1.03 N ATOM 464 CA VAL A 35 -1.237 -1.235 8.084 1.00 0.91 C ATOM 465 C VAL A 35 -1.619 -2.323 9.101 1.00 0.93 C ATOM 466 O VAL A 35 -2.446 -2.089 9.985 1.00 0.94 O ATOM 467 CB VAL A 35 -0.279 -0.227 8.763 1.00 0.83 C ATOM 468 CG1 VAL A 35 1.040 -0.883 9.213 1.00 0.90 C ATOM 469 CG2 VAL A 35 0.053 0.992 7.879 1.00 0.98 C ATOM 0 H VAL A 35 -2.783 0.169 8.189 1.00 1.03 H new ATOM 0 HA VAL A 35 -0.734 -1.699 7.236 1.00 0.91 H new ATOM 0 HB VAL A 35 -0.829 0.121 9.637 1.00 0.83 H new ATOM 0 HG11 VAL A 35 1.677 -0.134 9.683 1.00 0.90 H new ATOM 0 HG12 VAL A 35 0.826 -1.678 9.928 1.00 0.90 H new ATOM 0 HG13 VAL A 35 1.552 -1.302 8.347 1.00 0.90 H new ATOM 0 HG21 VAL A 35 0.729 1.658 8.416 1.00 0.98 H new ATOM 0 HG22 VAL A 35 0.531 0.655 6.959 1.00 0.98 H new ATOM 0 HG23 VAL A 35 -0.866 1.526 7.636 1.00 0.98 H new ATOM 479 N ALA A 36 -0.960 -3.487 9.022 1.00 1.00 N ATOM 480 CA ALA A 36 -1.091 -4.585 9.985 1.00 1.14 C ATOM 481 C ALA A 36 -0.497 -4.246 11.363 1.00 1.21 C ATOM 482 O ALA A 36 0.676 -4.507 11.644 1.00 1.72 O ATOM 483 CB ALA A 36 -0.485 -5.849 9.369 1.00 1.25 C ATOM 0 H ALA A 36 -0.306 -3.695 8.268 1.00 1.00 H new ATOM 0 HA ALA A 36 -2.149 -4.759 10.183 1.00 1.14 H new ATOM 0 HB1 ALA A 36 -0.574 -6.676 10.073 1.00 1.25 H new ATOM 0 HB2 ALA A 36 -1.016 -6.096 8.450 1.00 1.25 H new ATOM 0 HB3 ALA A 36 0.568 -5.676 9.145 1.00 1.25 H new ATOM 489 N ALA A 37 -1.340 -3.668 12.231 1.00 1.06 N ATOM 490 CA ALA A 37 -1.045 -3.327 13.625 1.00 1.04 C ATOM 491 C ALA A 37 -0.303 -4.451 14.374 1.00 1.00 C ATOM 492 O ALA A 37 -0.792 -5.575 14.456 1.00 1.19 O ATOM 493 CB ALA A 37 -2.362 -2.995 14.343 1.00 1.26 C ATOM 0 H ALA A 37 -2.291 -3.415 11.964 1.00 1.06 H new ATOM 0 HA ALA A 37 -0.378 -2.465 13.623 1.00 1.04 H new ATOM 0 HB1 ALA A 37 -2.155 -2.739 15.382 1.00 1.26 H new ATOM 0 HB2 ALA A 37 -2.842 -2.150 13.850 1.00 1.26 H new ATOM 0 HB3 ALA A 37 -3.024 -3.860 14.307 1.00 1.26 H new ATOM 499 N VAL A 38 0.858 -4.128 14.941 1.00 1.01 N ATOM 500 CA VAL A 38 1.734 -5.056 15.669 1.00 1.01 C ATOM 501 C VAL A 38 2.596 -4.252 16.662 1.00 1.15 C ATOM 502 O VAL A 38 2.976 -3.127 16.325 1.00 1.57 O ATOM 503 CB VAL A 38 2.579 -5.882 14.660 1.00 1.44 C ATOM 504 CG1 VAL A 38 3.647 -5.045 13.931 1.00 1.75 C ATOM 505 CG2 VAL A 38 3.244 -7.099 15.317 1.00 2.78 C ATOM 0 H VAL A 38 1.232 -3.180 14.907 1.00 1.01 H new ATOM 0 HA VAL A 38 1.150 -5.773 16.246 1.00 1.01 H new ATOM 0 HB VAL A 38 1.862 -6.229 13.916 1.00 1.44 H new ATOM 0 HG11 VAL A 38 4.201 -5.682 13.242 1.00 1.75 H new ATOM 0 HG12 VAL A 38 3.163 -4.243 13.374 1.00 1.75 H new ATOM 0 HG13 VAL A 38 4.334 -4.617 14.661 1.00 1.75 H new ATOM 0 HG21 VAL A 38 3.823 -7.644 14.571 1.00 2.78 H new ATOM 0 HG22 VAL A 38 3.905 -6.765 16.117 1.00 2.78 H new ATOM 0 HG23 VAL A 38 2.477 -7.754 15.730 1.00 2.78 H new ATOM 515 N PRO A 39 2.877 -4.765 17.879 1.00 1.23 N ATOM 516 CA PRO A 39 3.723 -4.081 18.859 1.00 1.65 C ATOM 517 C PRO A 39 5.210 -4.128 18.463 1.00 1.63 C ATOM 518 O PRO A 39 5.608 -5.048 17.746 1.00 1.45 O ATOM 519 CB PRO A 39 3.463 -4.801 20.188 1.00 1.97 C ATOM 520 CG PRO A 39 3.095 -6.218 19.755 1.00 1.80 C ATOM 521 CD PRO A 39 2.308 -5.972 18.471 1.00 1.47 C ATOM 0 HA PRO A 39 3.483 -3.020 18.925 1.00 1.65 H new ATOM 0 HB2 PRO A 39 4.345 -4.793 20.829 1.00 1.97 H new ATOM 0 HB3 PRO A 39 2.656 -4.330 20.749 1.00 1.97 H new ATOM 0 HG2 PRO A 39 3.978 -6.832 19.579 1.00 1.80 H new ATOM 0 HG3 PRO A 39 2.496 -6.730 20.507 1.00 1.80 H new ATOM 0 HD2 PRO A 39 2.395 -6.819 17.791 1.00 1.47 H new ATOM 0 HD3 PRO A 39 1.247 -5.841 18.682 1.00 1.47 H new ATOM 529 N PRO A 40 6.050 -3.202 18.984 1.00 2.21 N ATOM 530 CA PRO A 40 7.476 -3.060 18.647 1.00 2.51 C ATOM 531 C PRO A 40 8.373 -4.261 18.991 1.00 2.26 C ATOM 532 O PRO A 40 9.532 -4.296 18.590 1.00 3.33 O ATOM 533 CB PRO A 40 7.962 -1.815 19.396 1.00 3.19 C ATOM 534 CG PRO A 40 6.939 -1.604 20.508 1.00 3.30 C ATOM 535 CD PRO A 40 5.652 -2.134 19.892 1.00 2.84 C ATOM 0 HA PRO A 40 7.555 -2.985 17.562 1.00 2.51 H new ATOM 0 HB2 PRO A 40 8.963 -1.963 19.802 1.00 3.19 H new ATOM 0 HB3 PRO A 40 8.011 -0.950 18.735 1.00 3.19 H new ATOM 0 HG2 PRO A 40 7.208 -2.149 21.413 1.00 3.30 H new ATOM 0 HG3 PRO A 40 6.852 -0.553 20.783 1.00 3.30 H new ATOM 0 HD2 PRO A 40 4.977 -2.508 20.661 1.00 2.84 H new ATOM 0 HD3 PRO A 40 5.122 -1.346 19.358 1.00 2.84 H new ATOM 543 N SER A 41 7.845 -5.263 19.689 1.00 1.99 N ATOM 544 CA SER A 41 8.441 -6.607 19.788 1.00 2.35 C ATOM 545 C SER A 41 8.599 -7.319 18.420 1.00 2.35 C ATOM 546 O SER A 41 9.163 -8.415 18.380 1.00 2.93 O ATOM 547 CB SER A 41 7.569 -7.467 20.716 1.00 2.81 C ATOM 548 OG SER A 41 8.125 -8.749 20.919 1.00 3.57 O ATOM 0 H SER A 41 6.975 -5.170 20.214 1.00 1.99 H new ATOM 0 HA SER A 41 9.447 -6.483 20.188 1.00 2.35 H new ATOM 0 HB2 SER A 41 7.455 -6.964 21.676 1.00 2.81 H new ATOM 0 HB3 SER A 41 6.572 -7.567 20.288 1.00 2.81 H new ATOM 0 HG SER A 41 8.700 -8.980 20.160 1.00 3.57 H new ATOM 554 N ILE A 42 8.088 -6.731 17.327 1.00 1.91 N ATOM 555 CA ILE A 42 8.243 -7.140 15.927 1.00 1.82 C ATOM 556 C ILE A 42 8.597 -5.893 15.082 1.00 1.72 C ATOM 557 O ILE A 42 7.948 -4.858 15.227 1.00 1.89 O ATOM 558 CB ILE A 42 6.919 -7.756 15.421 1.00 1.88 C ATOM 559 CG1 ILE A 42 6.318 -8.846 16.344 1.00 2.21 C ATOM 560 CG2 ILE A 42 7.081 -8.298 13.990 1.00 1.92 C ATOM 561 CD1 ILE A 42 7.071 -10.184 16.386 1.00 2.79 C ATOM 0 H ILE A 42 7.512 -5.893 17.408 1.00 1.91 H new ATOM 0 HA ILE A 42 9.036 -7.882 15.839 1.00 1.82 H new ATOM 0 HB ILE A 42 6.202 -6.935 15.430 1.00 1.88 H new ATOM 0 HG12 ILE A 42 6.268 -8.448 17.358 1.00 2.21 H new ATOM 0 HG13 ILE A 42 5.293 -9.038 16.026 1.00 2.21 H new ATOM 0 HG21 ILE A 42 6.137 -8.727 13.654 1.00 1.92 H new ATOM 0 HG22 ILE A 42 7.368 -7.485 13.323 1.00 1.92 H new ATOM 0 HG23 ILE A 42 7.854 -9.067 13.977 1.00 1.92 H new ATOM 0 HD11 ILE A 42 6.560 -10.868 17.063 1.00 2.79 H new ATOM 0 HD12 ILE A 42 7.099 -10.617 15.386 1.00 2.79 H new ATOM 0 HD13 ILE A 42 8.089 -10.018 16.738 1.00 2.79 H new ATOM 573 N ARG A 43 9.593 -6.009 14.195 1.00 1.63 N ATOM 574 CA ARG A 43 10.154 -4.933 13.343 1.00 1.59 C ATOM 575 C ARG A 43 9.652 -4.944 11.888 1.00 1.35 C ATOM 576 O ARG A 43 10.169 -4.202 11.052 1.00 1.34 O ATOM 577 CB ARG A 43 11.692 -4.995 13.405 1.00 2.07 C ATOM 578 CG ARG A 43 12.251 -6.303 12.827 1.00 3.26 C ATOM 579 CD ARG A 43 13.700 -6.573 13.241 1.00 3.80 C ATOM 580 NE ARG A 43 14.052 -7.920 12.786 1.00 4.84 N ATOM 581 CZ ARG A 43 14.819 -8.835 13.358 1.00 5.58 C ATOM 582 NH1 ARG A 43 15.510 -8.621 14.459 1.00 5.58 N ATOM 583 NH2 ARG A 43 14.865 -10.014 12.783 1.00 6.69 N ATOM 0 H ARG A 43 10.060 -6.902 14.038 1.00 1.63 H new ATOM 0 HA ARG A 43 9.794 -3.987 13.747 1.00 1.59 H new ATOM 0 HB2 ARG A 43 12.109 -4.151 12.855 1.00 2.07 H new ATOM 0 HB3 ARG A 43 12.015 -4.892 14.441 1.00 2.07 H new ATOM 0 HG2 ARG A 43 11.626 -7.134 13.154 1.00 3.26 H new ATOM 0 HG3 ARG A 43 12.191 -6.267 11.739 1.00 3.26 H new ATOM 0 HD2 ARG A 43 14.368 -5.834 12.799 1.00 3.80 H new ATOM 0 HD3 ARG A 43 13.809 -6.494 14.323 1.00 3.80 H new ATOM 0 HE ARG A 43 13.644 -8.195 11.892 1.00 4.84 H new ATOM 0 HH11 ARG A 43 15.471 -7.710 14.917 1.00 5.58 H new ATOM 0 HH12 ARG A 43 16.084 -9.366 14.854 1.00 5.58 H new ATOM 0 HH21 ARG A 43 14.325 -10.190 11.936 1.00 6.69 H new ATOM 0 HH22 ARG A 43 15.441 -10.755 13.183 1.00 6.69 H new ATOM 597 N ASP A 44 8.669 -5.789 11.584 1.00 1.30 N ATOM 598 CA ASP A 44 8.137 -6.000 10.251 1.00 1.23 C ATOM 599 C ASP A 44 6.603 -5.982 10.289 1.00 1.12 C ATOM 600 O ASP A 44 5.992 -6.499 11.224 1.00 1.13 O ATOM 601 CB ASP A 44 8.624 -7.361 9.734 1.00 1.44 C ATOM 602 CG ASP A 44 10.134 -7.557 9.902 1.00 1.52 C ATOM 603 OD1 ASP A 44 10.905 -6.907 9.160 1.00 2.13 O ATOM 604 OD2 ASP A 44 10.520 -8.344 10.800 1.00 2.49 O ATOM 0 H ASP A 44 8.208 -6.364 12.289 1.00 1.30 H new ATOM 0 HA ASP A 44 8.481 -5.205 9.589 1.00 1.23 H new ATOM 0 HB2 ASP A 44 8.098 -8.155 10.265 1.00 1.44 H new ATOM 0 HB3 ASP A 44 8.365 -7.457 8.680 1.00 1.44 H new ATOM 609 N THR A 45 5.982 -5.418 9.254 1.00 1.12 N ATOM 610 CA THR A 45 4.525 -5.350 9.071 1.00 1.11 C ATOM 611 C THR A 45 4.220 -5.082 7.609 1.00 0.91 C ATOM 612 O THR A 45 5.055 -4.530 6.894 1.00 0.79 O ATOM 613 CB THR A 45 3.869 -4.321 10.010 1.00 1.22 C ATOM 614 OG1 THR A 45 2.503 -4.222 9.688 1.00 2.48 O ATOM 615 CG2 THR A 45 4.452 -2.915 9.890 1.00 1.51 C ATOM 0 H THR A 45 6.495 -4.979 8.490 1.00 1.12 H new ATOM 0 HA THR A 45 4.088 -6.310 9.346 1.00 1.11 H new ATOM 0 HB THR A 45 4.049 -4.678 11.024 1.00 1.22 H new ATOM 0 HG1 THR A 45 1.977 -4.156 10.512 1.00 2.48 H new ATOM 0 HG21 THR A 45 3.939 -2.248 10.582 1.00 1.51 H new ATOM 0 HG22 THR A 45 5.515 -2.940 10.131 1.00 1.51 H new ATOM 0 HG23 THR A 45 4.320 -2.552 8.871 1.00 1.51 H new ATOM 623 N ALA A 46 3.038 -5.484 7.156 1.00 1.20 N ATOM 624 CA ALA A 46 2.555 -5.291 5.794 1.00 1.15 C ATOM 625 C ALA A 46 1.318 -4.379 5.796 1.00 1.08 C ATOM 626 O ALA A 46 0.420 -4.525 6.626 1.00 1.53 O ATOM 627 CB ALA A 46 2.261 -6.665 5.176 1.00 1.43 C ATOM 0 H ALA A 46 2.366 -5.971 7.749 1.00 1.20 H new ATOM 0 HA ALA A 46 3.313 -4.796 5.187 1.00 1.15 H new ATOM 0 HB1 ALA A 46 1.899 -6.535 4.156 1.00 1.43 H new ATOM 0 HB2 ALA A 46 3.173 -7.261 5.164 1.00 1.43 H new ATOM 0 HB3 ALA A 46 1.502 -7.176 5.769 1.00 1.43 H new ATOM 633 N ALA A 47 1.284 -3.459 4.835 1.00 0.81 N ATOM 634 CA ALA A 47 0.161 -2.580 4.545 1.00 0.77 C ATOM 635 C ALA A 47 -0.499 -2.952 3.205 1.00 0.89 C ATOM 636 O ALA A 47 0.189 -3.227 2.213 1.00 1.19 O ATOM 637 CB ALA A 47 0.664 -1.133 4.579 1.00 0.75 C ATOM 0 H ALA A 47 2.075 -3.301 4.211 1.00 0.81 H new ATOM 0 HA ALA A 47 -0.618 -2.695 5.299 1.00 0.77 H new ATOM 0 HB1 ALA A 47 -0.162 -0.455 4.364 1.00 0.75 H new ATOM 0 HB2 ALA A 47 1.068 -0.911 5.567 1.00 0.75 H new ATOM 0 HB3 ALA A 47 1.445 -1.002 3.830 1.00 0.75 H new ATOM 643 N TYR A 48 -1.833 -2.975 3.233 1.00 0.97 N ATOM 644 CA TYR A 48 -2.779 -3.327 2.166 1.00 1.14 C ATOM 645 C TYR A 48 -3.176 -2.050 1.408 1.00 1.40 C ATOM 646 O TYR A 48 -3.369 -0.979 2.006 1.00 1.56 O ATOM 647 CB TYR A 48 -4.028 -3.947 2.817 1.00 1.50 C ATOM 648 CG TYR A 48 -3.899 -5.272 3.563 1.00 1.58 C ATOM 649 CD1 TYR A 48 -2.653 -5.864 3.874 1.00 2.37 C ATOM 650 CD2 TYR A 48 -5.079 -5.903 4.003 1.00 2.70 C ATOM 651 CE1 TYR A 48 -2.588 -7.017 4.671 1.00 2.87 C ATOM 652 CE2 TYR A 48 -5.024 -7.090 4.760 1.00 3.29 C ATOM 653 CZ TYR A 48 -3.773 -7.643 5.114 1.00 2.95 C ATOM 654 OH TYR A 48 -3.694 -8.775 5.866 1.00 3.80 O ATOM 0 H TYR A 48 -2.329 -2.723 4.088 1.00 0.97 H new ATOM 0 HA TYR A 48 -2.328 -4.034 1.470 1.00 1.14 H new ATOM 0 HB2 TYR A 48 -4.431 -3.215 3.516 1.00 1.50 H new ATOM 0 HB3 TYR A 48 -4.773 -4.083 2.033 1.00 1.50 H new ATOM 0 HD1 TYR A 48 -1.743 -5.424 3.494 1.00 2.37 H new ATOM 0 HD2 TYR A 48 -6.038 -5.471 3.757 1.00 2.70 H new ATOM 0 HE1 TYR A 48 -1.628 -7.427 4.947 1.00 2.87 H new ATOM 0 HE2 TYR A 48 -5.937 -7.577 5.069 1.00 3.29 H new ATOM 0 HH TYR A 48 -4.597 -9.082 6.091 1.00 3.80 H new ATOM 664 N MET A 49 -3.358 -2.186 0.091 1.00 1.65 N ATOM 665 CA MET A 49 -3.833 -1.118 -0.785 1.00 2.10 C ATOM 666 C MET A 49 -4.668 -1.697 -1.920 1.00 2.02 C ATOM 667 O MET A 49 -4.408 -2.804 -2.347 1.00 1.87 O ATOM 668 CB MET A 49 -2.677 -0.303 -1.393 1.00 2.61 C ATOM 669 CG MET A 49 -1.917 0.568 -0.393 1.00 3.00 C ATOM 670 SD MET A 49 -0.444 -0.225 0.289 1.00 4.36 S ATOM 671 CE MET A 49 -0.226 0.872 1.699 1.00 5.02 C ATOM 0 H MET A 49 -3.175 -3.060 -0.403 1.00 1.65 H new ATOM 0 HA MET A 49 -4.437 -0.453 -0.167 1.00 2.10 H new ATOM 0 HB2 MET A 49 -1.974 -0.990 -1.864 1.00 2.61 H new ATOM 0 HB3 MET A 49 -3.075 0.335 -2.181 1.00 2.61 H new ATOM 0 HG2 MET A 49 -1.625 1.497 -0.883 1.00 3.00 H new ATOM 0 HG3 MET A 49 -2.586 0.835 0.425 1.00 3.00 H new ATOM 0 HE1 MET A 49 0.704 0.626 2.211 1.00 5.02 H new ATOM 0 HE2 MET A 49 -0.188 1.905 1.354 1.00 5.02 H new ATOM 0 HE3 MET A 49 -1.062 0.750 2.388 1.00 5.02 H new ATOM 681 N THR A 50 -5.618 -0.923 -2.445 1.00 2.27 N ATOM 682 CA THR A 50 -6.409 -1.206 -3.645 1.00 2.38 C ATOM 683 C THR A 50 -6.837 0.105 -4.264 1.00 2.56 C ATOM 684 O THR A 50 -7.097 1.068 -3.537 1.00 2.75 O ATOM 685 CB THR A 50 -7.595 -2.139 -3.360 1.00 2.50 C ATOM 686 OG1 THR A 50 -8.116 -2.518 -4.604 1.00 3.92 O ATOM 687 CG2 THR A 50 -8.747 -1.579 -2.530 1.00 2.32 C ATOM 0 H THR A 50 -5.871 -0.031 -2.021 1.00 2.27 H new ATOM 0 HA THR A 50 -5.791 -1.749 -4.359 1.00 2.38 H new ATOM 0 HB THR A 50 -7.188 -2.947 -2.752 1.00 2.50 H new ATOM 0 HG1 THR A 50 -7.515 -3.167 -5.026 1.00 3.92 H new ATOM 0 HG21 THR A 50 -9.513 -2.345 -2.407 1.00 2.32 H new ATOM 0 HG22 THR A 50 -8.376 -1.277 -1.551 1.00 2.32 H new ATOM 0 HG23 THR A 50 -9.175 -0.715 -3.038 1.00 2.32 H new ATOM 695 N LEU A 51 -6.856 0.175 -5.590 1.00 2.70 N ATOM 696 CA LEU A 51 -7.500 1.297 -6.281 1.00 2.78 C ATOM 697 C LEU A 51 -8.932 0.882 -6.622 1.00 2.37 C ATOM 698 O LEU A 51 -9.183 0.257 -7.652 1.00 2.73 O ATOM 699 CB LEU A 51 -6.659 1.735 -7.490 1.00 3.13 C ATOM 700 CG LEU A 51 -6.964 3.141 -8.062 1.00 3.77 C ATOM 701 CD1 LEU A 51 -8.420 3.355 -8.505 1.00 4.16 C ATOM 702 CD2 LEU A 51 -6.567 4.256 -7.083 1.00 4.16 C ATOM 0 H LEU A 51 -6.439 -0.522 -6.207 1.00 2.70 H new ATOM 0 HA LEU A 51 -7.559 2.182 -5.647 1.00 2.78 H new ATOM 0 HB2 LEU A 51 -5.607 1.702 -7.206 1.00 3.13 H new ATOM 0 HB3 LEU A 51 -6.797 1.004 -8.286 1.00 3.13 H new ATOM 0 HG LEU A 51 -6.349 3.195 -8.960 1.00 3.77 H new ATOM 0 HD11 LEU A 51 -8.538 4.367 -8.891 1.00 4.16 H new ATOM 0 HD12 LEU A 51 -8.672 2.637 -9.286 1.00 4.16 H new ATOM 0 HD13 LEU A 51 -9.084 3.212 -7.653 1.00 4.16 H new ATOM 0 HD21 LEU A 51 -6.798 5.226 -7.523 1.00 4.16 H new ATOM 0 HD22 LEU A 51 -7.123 4.138 -6.153 1.00 4.16 H new ATOM 0 HD23 LEU A 51 -5.498 4.196 -6.877 1.00 4.16 H new ATOM 714 N THR A 52 -9.873 1.232 -5.743 1.00 2.08 N ATOM 715 CA THR A 52 -11.298 0.936 -5.910 1.00 1.91 C ATOM 716 C THR A 52 -11.895 1.999 -6.831 1.00 1.86 C ATOM 717 O THR A 52 -11.884 3.186 -6.519 1.00 2.24 O ATOM 718 CB THR A 52 -11.964 0.793 -4.529 1.00 2.44 C ATOM 719 OG1 THR A 52 -13.240 0.224 -4.692 1.00 2.48 O ATOM 720 CG2 THR A 52 -12.108 2.082 -3.721 1.00 3.47 C ATOM 0 H THR A 52 -9.664 1.737 -4.882 1.00 2.08 H new ATOM 0 HA THR A 52 -11.476 -0.023 -6.396 1.00 1.91 H new ATOM 0 HB THR A 52 -11.288 0.161 -3.954 1.00 2.44 H new ATOM 0 HG1 THR A 52 -13.670 0.128 -3.816 1.00 2.48 H new ATOM 0 HG21 THR A 52 -12.589 1.862 -2.768 1.00 3.47 H new ATOM 0 HG22 THR A 52 -11.122 2.510 -3.539 1.00 3.47 H new ATOM 0 HG23 THR A 52 -12.716 2.795 -4.278 1.00 3.47 H new ATOM 728 N ASN A 53 -12.360 1.592 -8.014 1.00 1.66 N ATOM 729 CA ASN A 53 -12.949 2.496 -9.003 1.00 1.73 C ATOM 730 C ASN A 53 -14.362 2.041 -9.379 1.00 1.88 C ATOM 731 O ASN A 53 -14.597 1.390 -10.394 1.00 2.40 O ATOM 732 CB ASN A 53 -12.010 2.745 -10.204 1.00 1.95 C ATOM 733 CG ASN A 53 -11.419 1.548 -10.956 1.00 2.19 C ATOM 734 OD1 ASN A 53 -11.785 0.392 -10.814 1.00 3.29 O ATOM 735 ND2 ASN A 53 -10.482 1.819 -11.841 1.00 2.54 N ATOM 0 H ASN A 53 -12.338 0.618 -8.315 1.00 1.66 H new ATOM 0 HA ASN A 53 -13.063 3.480 -8.549 1.00 1.73 H new ATOM 0 HB2 ASN A 53 -12.558 3.348 -10.928 1.00 1.95 H new ATOM 0 HB3 ASN A 53 -11.177 3.352 -9.848 1.00 1.95 H new ATOM 0 HD21 ASN A 53 -10.073 1.068 -12.396 1.00 2.54 H new ATOM 0 HD22 ASN A 53 -10.166 2.780 -11.971 1.00 2.54 H new ATOM 742 N LYS A 54 -15.358 2.463 -8.589 1.00 2.02 N ATOM 743 CA LYS A 54 -16.787 2.194 -8.843 1.00 2.23 C ATOM 744 C LYS A 54 -17.355 3.187 -9.884 1.00 2.08 C ATOM 745 O LYS A 54 -18.363 3.852 -9.676 1.00 2.42 O ATOM 746 CB LYS A 54 -17.538 2.178 -7.492 1.00 2.74 C ATOM 747 CG LYS A 54 -19.007 1.705 -7.506 1.00 2.93 C ATOM 748 CD LYS A 54 -19.218 0.286 -8.049 1.00 4.12 C ATOM 749 CE LYS A 54 -20.686 -0.131 -7.861 1.00 4.54 C ATOM 750 NZ LYS A 54 -20.950 -1.490 -8.398 1.00 5.88 N ATOM 0 H LYS A 54 -15.196 3.009 -7.743 1.00 2.02 H new ATOM 0 HA LYS A 54 -16.926 1.211 -9.293 1.00 2.23 H new ATOM 0 HB2 LYS A 54 -16.984 1.538 -6.805 1.00 2.74 H new ATOM 0 HB3 LYS A 54 -17.512 3.187 -7.079 1.00 2.74 H new ATOM 0 HG2 LYS A 54 -19.400 1.753 -6.490 1.00 2.93 H new ATOM 0 HG3 LYS A 54 -19.593 2.400 -8.107 1.00 2.93 H new ATOM 0 HD2 LYS A 54 -18.952 0.248 -9.105 1.00 4.12 H new ATOM 0 HD3 LYS A 54 -18.562 -0.413 -7.530 1.00 4.12 H new ATOM 0 HE2 LYS A 54 -20.938 -0.105 -6.801 1.00 4.54 H new ATOM 0 HE3 LYS A 54 -21.334 0.589 -8.361 1.00 4.54 H new ATOM 0 HZ1 LYS A 54 -21.951 -1.733 -8.251 1.00 5.88 H new ATOM 0 HZ2 LYS A 54 -20.734 -1.509 -9.415 1.00 5.88 H new ATOM 0 HZ3 LYS A 54 -20.350 -2.181 -7.904 1.00 5.88 H new ATOM 764 N SER A 55 -16.655 3.347 -11.009 1.00 1.78 N ATOM 765 CA SER A 55 -16.848 4.328 -12.100 1.00 1.82 C ATOM 766 C SER A 55 -15.752 4.134 -13.171 1.00 1.70 C ATOM 767 O SER A 55 -14.851 3.311 -12.988 1.00 2.27 O ATOM 768 CB SER A 55 -16.855 5.775 -11.569 1.00 2.27 C ATOM 769 OG SER A 55 -18.123 6.087 -11.022 1.00 2.49 O ATOM 0 H SER A 55 -15.860 2.739 -11.206 1.00 1.78 H new ATOM 0 HA SER A 55 -17.824 4.153 -12.554 1.00 1.82 H new ATOM 0 HB2 SER A 55 -16.083 5.895 -10.809 1.00 2.27 H new ATOM 0 HB3 SER A 55 -16.618 6.468 -12.376 1.00 2.27 H new ATOM 0 HG SER A 55 -18.524 5.277 -10.643 1.00 2.49 H new ATOM 775 N ASP A 56 -15.831 4.860 -14.288 1.00 1.50 N ATOM 776 CA ASP A 56 -14.913 4.699 -15.409 1.00 1.54 C ATOM 777 C ASP A 56 -13.691 5.621 -15.237 1.00 1.64 C ATOM 778 O ASP A 56 -13.641 6.734 -15.758 1.00 2.05 O ATOM 779 CB ASP A 56 -15.704 4.870 -16.713 1.00 1.83 C ATOM 780 CG ASP A 56 -15.024 4.166 -17.881 1.00 3.02 C ATOM 781 OD1 ASP A 56 -14.794 2.940 -17.793 1.00 4.05 O ATOM 782 OD2 ASP A 56 -14.789 4.838 -18.908 1.00 3.94 O ATOM 0 H ASP A 56 -16.539 5.579 -14.438 1.00 1.50 H new ATOM 0 HA ASP A 56 -14.484 3.698 -15.447 1.00 1.54 H new ATOM 0 HB2 ASP A 56 -16.710 4.471 -16.583 1.00 1.83 H new ATOM 0 HB3 ASP A 56 -15.809 5.931 -16.939 1.00 1.83 H new ATOM 787 N GLN A 57 -12.740 5.180 -14.408 1.00 1.71 N ATOM 788 CA GLN A 57 -11.548 5.937 -14.002 1.00 1.98 C ATOM 789 C GLN A 57 -10.241 5.186 -14.364 1.00 2.10 C ATOM 790 O GLN A 57 -9.879 4.244 -13.643 1.00 2.64 O ATOM 791 CB GLN A 57 -11.613 6.169 -12.477 1.00 2.74 C ATOM 792 CG GLN A 57 -12.696 7.173 -12.032 1.00 2.44 C ATOM 793 CD GLN A 57 -12.386 8.618 -12.408 1.00 2.96 C ATOM 794 OE1 GLN A 57 -11.323 8.970 -12.894 1.00 3.88 O ATOM 795 NE2 GLN A 57 -13.303 9.544 -12.206 1.00 3.15 N ATOM 0 H GLN A 57 -12.779 4.253 -13.985 1.00 1.71 H new ATOM 0 HA GLN A 57 -11.536 6.887 -14.536 1.00 1.98 H new ATOM 0 HB2 GLN A 57 -11.795 5.214 -11.984 1.00 2.74 H new ATOM 0 HB3 GLN A 57 -10.642 6.525 -12.134 1.00 2.74 H new ATOM 0 HG2 GLN A 57 -13.649 6.887 -12.478 1.00 2.44 H new ATOM 0 HG3 GLN A 57 -12.818 7.107 -10.951 1.00 2.44 H new ATOM 0 HE21 GLN A 57 -14.204 9.290 -11.802 1.00 3.15 H new ATOM 0 HE22 GLN A 57 -13.111 10.515 -12.454 1.00 3.15 H new ATOM 804 N PRO A 58 -9.528 5.586 -15.441 1.00 1.96 N ATOM 805 CA PRO A 58 -8.182 5.113 -15.757 1.00 2.41 C ATOM 806 C PRO A 58 -7.107 6.095 -15.246 1.00 2.56 C ATOM 807 O PRO A 58 -7.198 7.302 -15.471 1.00 2.62 O ATOM 808 CB PRO A 58 -8.162 5.007 -17.279 1.00 2.57 C ATOM 809 CG PRO A 58 -9.059 6.168 -17.722 1.00 2.24 C ATOM 810 CD PRO A 58 -10.064 6.331 -16.574 1.00 1.79 C ATOM 0 HA PRO A 58 -7.956 4.161 -15.276 1.00 2.41 H new ATOM 0 HB2 PRO A 58 -7.152 5.104 -17.676 1.00 2.57 H new ATOM 0 HB3 PRO A 58 -8.548 4.047 -17.621 1.00 2.57 H new ATOM 0 HG2 PRO A 58 -8.482 7.079 -17.878 1.00 2.24 H new ATOM 0 HG3 PRO A 58 -9.563 5.945 -18.663 1.00 2.24 H new ATOM 0 HD2 PRO A 58 -10.194 7.383 -16.319 1.00 1.79 H new ATOM 0 HD3 PRO A 58 -11.044 5.949 -16.860 1.00 1.79 H new ATOM 818 N ILE A 59 -6.096 5.588 -14.527 1.00 2.84 N ATOM 819 CA ILE A 59 -5.176 6.413 -13.706 1.00 2.79 C ATOM 820 C ILE A 59 -3.762 5.807 -13.659 1.00 2.84 C ATOM 821 O ILE A 59 -3.617 4.587 -13.637 1.00 3.18 O ATOM 822 CB ILE A 59 -5.761 6.571 -12.267 1.00 2.81 C ATOM 823 CG1 ILE A 59 -7.169 7.225 -12.272 1.00 3.05 C ATOM 824 CG2 ILE A 59 -4.807 7.373 -11.353 1.00 3.03 C ATOM 825 CD1 ILE A 59 -7.816 7.411 -10.897 1.00 3.07 C ATOM 0 H ILE A 59 -5.886 4.590 -14.493 1.00 2.84 H new ATOM 0 HA ILE A 59 -5.088 7.396 -14.168 1.00 2.79 H new ATOM 0 HB ILE A 59 -5.863 5.563 -11.866 1.00 2.81 H new ATOM 0 HG12 ILE A 59 -7.096 8.200 -12.754 1.00 3.05 H new ATOM 0 HG13 ILE A 59 -7.831 6.615 -12.886 1.00 3.05 H new ATOM 0 HG21 ILE A 59 -5.246 7.464 -10.359 1.00 3.03 H new ATOM 0 HG22 ILE A 59 -3.851 6.855 -11.281 1.00 3.03 H new ATOM 0 HG23 ILE A 59 -4.651 8.367 -11.773 1.00 3.03 H new ATOM 0 HD11 ILE A 59 -8.795 7.875 -11.015 1.00 3.07 H new ATOM 0 HD12 ILE A 59 -7.931 6.440 -10.415 1.00 3.07 H new ATOM 0 HD13 ILE A 59 -7.184 8.050 -10.281 1.00 3.07 H new ATOM 837 N LYS A 60 -2.705 6.631 -13.538 1.00 2.66 N ATOM 838 CA LYS A 60 -1.360 6.182 -13.133 1.00 2.63 C ATOM 839 C LYS A 60 -0.966 6.644 -11.708 1.00 1.84 C ATOM 840 O LYS A 60 -0.909 7.835 -11.399 1.00 1.65 O ATOM 841 CB LYS A 60 -0.301 6.618 -14.160 1.00 3.49 C ATOM 842 CG LYS A 60 -0.465 5.899 -15.509 1.00 4.78 C ATOM 843 CD LYS A 60 0.852 5.922 -16.304 1.00 6.12 C ATOM 844 CE LYS A 60 0.818 4.995 -17.526 1.00 7.80 C ATOM 845 NZ LYS A 60 -0.218 5.403 -18.502 1.00 7.72 N ATOM 0 H LYS A 60 -2.760 7.633 -13.720 1.00 2.66 H new ATOM 0 HA LYS A 60 -1.398 5.093 -13.106 1.00 2.63 H new ATOM 0 HB2 LYS A 60 -0.369 7.695 -14.314 1.00 3.49 H new ATOM 0 HB3 LYS A 60 0.693 6.416 -13.762 1.00 3.49 H new ATOM 0 HG2 LYS A 60 -0.776 4.868 -15.341 1.00 4.78 H new ATOM 0 HG3 LYS A 60 -1.253 6.379 -16.089 1.00 4.78 H new ATOM 0 HD2 LYS A 60 1.057 6.941 -16.631 1.00 6.12 H new ATOM 0 HD3 LYS A 60 1.672 5.626 -15.650 1.00 6.12 H new ATOM 0 HE2 LYS A 60 1.794 4.998 -18.011 1.00 7.80 H new ATOM 0 HE3 LYS A 60 0.627 3.972 -17.200 1.00 7.80 H new ATOM 0 HZ1 LYS A 60 -0.196 4.761 -19.320 1.00 7.72 H new ATOM 0 HZ2 LYS A 60 -1.155 5.359 -18.052 1.00 7.72 H new ATOM 0 HZ3 LYS A 60 -0.032 6.375 -18.820 1.00 7.72 H new ATOM 859 N LEU A 61 -0.627 5.668 -10.865 1.00 1.73 N ATOM 860 CA LEU A 61 0.019 5.787 -9.551 1.00 1.44 C ATOM 861 C LEU A 61 1.243 4.856 -9.531 1.00 1.47 C ATOM 862 O LEU A 61 1.396 4.077 -10.464 1.00 2.15 O ATOM 863 CB LEU A 61 -0.971 5.354 -8.447 1.00 1.82 C ATOM 864 CG LEU A 61 -1.647 6.508 -7.673 1.00 1.93 C ATOM 865 CD1 LEU A 61 -2.741 7.198 -8.492 1.00 2.99 C ATOM 866 CD2 LEU A 61 -2.263 5.977 -6.373 1.00 2.84 C ATOM 0 H LEU A 61 -0.811 4.693 -11.100 1.00 1.73 H new ATOM 0 HA LEU A 61 0.323 6.819 -9.373 1.00 1.44 H new ATOM 0 HB2 LEU A 61 -1.748 4.739 -8.901 1.00 1.82 H new ATOM 0 HB3 LEU A 61 -0.441 4.723 -7.734 1.00 1.82 H new ATOM 0 HG LEU A 61 -0.871 7.242 -7.458 1.00 1.93 H new ATOM 0 HD11 LEU A 61 -3.184 8.001 -7.903 1.00 2.99 H new ATOM 0 HD12 LEU A 61 -2.307 7.612 -9.402 1.00 2.99 H new ATOM 0 HD13 LEU A 61 -3.511 6.473 -8.754 1.00 2.99 H new ATOM 0 HD21 LEU A 61 -2.737 6.797 -5.834 1.00 2.84 H new ATOM 0 HD22 LEU A 61 -3.009 5.217 -6.607 1.00 2.84 H new ATOM 0 HD23 LEU A 61 -1.481 5.539 -5.752 1.00 2.84 H new ATOM 878 N VAL A 62 2.042 4.882 -8.457 1.00 1.18 N ATOM 879 CA VAL A 62 3.163 3.931 -8.253 1.00 1.29 C ATOM 880 C VAL A 62 2.938 2.924 -7.102 1.00 1.32 C ATOM 881 O VAL A 62 3.390 1.785 -7.162 1.00 1.90 O ATOM 882 CB VAL A 62 4.503 4.677 -8.062 1.00 1.70 C ATOM 883 CG1 VAL A 62 4.765 5.656 -9.216 1.00 2.21 C ATOM 884 CG2 VAL A 62 4.594 5.432 -6.722 1.00 2.96 C ATOM 0 H VAL A 62 1.937 5.559 -7.701 1.00 1.18 H new ATOM 0 HA VAL A 62 3.205 3.340 -9.168 1.00 1.29 H new ATOM 0 HB VAL A 62 5.269 3.902 -8.056 1.00 1.70 H new ATOM 0 HG11 VAL A 62 5.715 6.165 -9.053 1.00 2.21 H new ATOM 0 HG12 VAL A 62 4.805 5.107 -10.157 1.00 2.21 H new ATOM 0 HG13 VAL A 62 3.962 6.391 -9.259 1.00 2.21 H new ATOM 0 HG21 VAL A 62 5.559 5.934 -6.652 1.00 2.96 H new ATOM 0 HG22 VAL A 62 3.796 6.172 -6.666 1.00 2.96 H new ATOM 0 HG23 VAL A 62 4.492 4.725 -5.899 1.00 2.96 H new ATOM 894 N GLY A 63 2.213 3.333 -6.056 1.00 1.24 N ATOM 895 CA GLY A 63 1.905 2.569 -4.834 1.00 1.38 C ATOM 896 C GLY A 63 1.956 3.491 -3.627 1.00 1.02 C ATOM 897 O GLY A 63 1.587 4.658 -3.751 1.00 1.06 O ATOM 0 H GLY A 63 1.798 4.264 -6.035 1.00 1.24 H new ATOM 0 HA2 GLY A 63 0.917 2.116 -4.916 1.00 1.38 H new ATOM 0 HA3 GLY A 63 2.620 1.755 -4.712 1.00 1.38 H new ATOM 901 N ALA A 64 2.412 2.979 -2.482 1.00 1.08 N ATOM 902 CA ALA A 64 2.686 3.754 -1.275 1.00 0.98 C ATOM 903 C ALA A 64 4.075 3.415 -0.718 1.00 0.93 C ATOM 904 O ALA A 64 4.546 2.288 -0.869 1.00 1.10 O ATOM 905 CB ALA A 64 1.588 3.470 -0.244 1.00 1.37 C ATOM 0 H ALA A 64 2.606 1.984 -2.368 1.00 1.08 H new ATOM 0 HA ALA A 64 2.685 4.818 -1.512 1.00 0.98 H new ATOM 0 HB1 ALA A 64 1.782 4.044 0.662 1.00 1.37 H new ATOM 0 HB2 ALA A 64 0.620 3.757 -0.655 1.00 1.37 H new ATOM 0 HB3 ALA A 64 1.579 2.407 -0.005 1.00 1.37 H new ATOM 911 N ALA A 65 4.718 4.374 -0.053 1.00 0.88 N ATOM 912 CA ALA A 65 6.079 4.243 0.471 1.00 0.87 C ATOM 913 C ALA A 65 6.289 5.042 1.768 1.00 0.99 C ATOM 914 O ALA A 65 5.453 5.859 2.169 1.00 1.12 O ATOM 915 CB ALA A 65 7.058 4.664 -0.635 1.00 0.90 C ATOM 0 H ALA A 65 4.299 5.284 0.141 1.00 0.88 H new ATOM 0 HA ALA A 65 6.262 3.204 0.747 1.00 0.87 H new ATOM 0 HB1 ALA A 65 8.081 4.575 -0.269 1.00 0.90 H new ATOM 0 HB2 ALA A 65 6.926 4.018 -1.503 1.00 0.90 H new ATOM 0 HB3 ALA A 65 6.863 5.698 -0.919 1.00 0.90 H new ATOM 921 N THR A 66 7.427 4.821 2.435 1.00 1.07 N ATOM 922 CA THR A 66 7.717 5.298 3.792 1.00 1.26 C ATOM 923 C THR A 66 9.201 5.641 3.957 1.00 1.32 C ATOM 924 O THR A 66 10.026 4.782 3.655 1.00 1.45 O ATOM 925 CB THR A 66 7.255 4.265 4.838 1.00 1.66 C ATOM 926 OG1 THR A 66 8.040 4.406 5.997 1.00 2.40 O ATOM 927 CG2 THR A 66 7.441 2.792 4.463 1.00 1.69 C ATOM 0 H THR A 66 8.197 4.287 2.032 1.00 1.07 H new ATOM 0 HA THR A 66 7.155 6.218 3.957 1.00 1.26 H new ATOM 0 HB THR A 66 6.191 4.473 4.947 1.00 1.66 H new ATOM 0 HG1 THR A 66 7.573 4.004 6.759 1.00 2.40 H new ATOM 0 HG21 THR A 66 7.080 2.161 5.276 1.00 1.69 H new ATOM 0 HG22 THR A 66 6.877 2.573 3.556 1.00 1.69 H new ATOM 0 HG23 THR A 66 8.498 2.591 4.290 1.00 1.69 H new ATOM 935 N PRO A 67 9.529 6.821 4.526 1.00 1.33 N ATOM 936 CA PRO A 67 10.841 7.134 5.081 1.00 1.41 C ATOM 937 C PRO A 67 10.924 6.924 6.606 1.00 1.44 C ATOM 938 O PRO A 67 11.934 7.284 7.206 1.00 1.62 O ATOM 939 CB PRO A 67 11.045 8.605 4.709 1.00 1.59 C ATOM 940 CG PRO A 67 9.642 9.184 4.915 1.00 1.60 C ATOM 941 CD PRO A 67 8.716 8.035 4.501 1.00 1.40 C ATOM 0 HA PRO A 67 11.612 6.474 4.685 1.00 1.41 H new ATOM 0 HB2 PRO A 67 11.784 9.089 5.348 1.00 1.59 H new ATOM 0 HB3 PRO A 67 11.388 8.722 3.681 1.00 1.59 H new ATOM 0 HG2 PRO A 67 9.478 9.478 5.952 1.00 1.60 H new ATOM 0 HG3 PRO A 67 9.480 10.071 4.302 1.00 1.60 H new ATOM 0 HD2 PRO A 67 7.871 7.951 5.185 1.00 1.40 H new ATOM 0 HD3 PRO A 67 8.305 8.207 3.506 1.00 1.40 H new ATOM 949 N LEU A 68 9.887 6.374 7.252 1.00 1.40 N ATOM 950 CA LEU A 68 9.932 5.956 8.653 1.00 1.47 C ATOM 951 C LEU A 68 10.749 4.664 8.733 1.00 1.53 C ATOM 952 O LEU A 68 11.896 4.672 9.179 1.00 2.39 O ATOM 953 CB LEU A 68 8.495 5.816 9.218 1.00 1.53 C ATOM 954 CG LEU A 68 7.731 7.117 9.555 1.00 1.66 C ATOM 955 CD1 LEU A 68 8.431 7.939 10.645 1.00 2.83 C ATOM 956 CD2 LEU A 68 7.450 8.002 8.332 1.00 2.52 C ATOM 0 H LEU A 68 8.984 6.206 6.808 1.00 1.40 H new ATOM 0 HA LEU A 68 10.421 6.704 9.277 1.00 1.47 H new ATOM 0 HB2 LEU A 68 7.902 5.256 8.495 1.00 1.53 H new ATOM 0 HB3 LEU A 68 8.547 5.212 10.124 1.00 1.53 H new ATOM 0 HG LEU A 68 6.768 6.778 9.936 1.00 1.66 H new ATOM 0 HD11 LEU A 68 7.855 8.843 10.846 1.00 2.83 H new ATOM 0 HD12 LEU A 68 8.505 7.346 11.557 1.00 2.83 H new ATOM 0 HD13 LEU A 68 9.431 8.213 10.308 1.00 2.83 H new ATOM 0 HD21 LEU A 68 6.911 8.896 8.646 1.00 2.52 H new ATOM 0 HD22 LEU A 68 8.393 8.291 7.867 1.00 2.52 H new ATOM 0 HD23 LEU A 68 6.846 7.448 7.613 1.00 2.52 H new ATOM 968 N ALA A 69 10.175 3.566 8.235 1.00 1.14 N ATOM 969 CA ALA A 69 10.824 2.257 8.153 1.00 1.11 C ATOM 970 C ALA A 69 12.125 2.324 7.326 1.00 0.97 C ATOM 971 O ALA A 69 12.179 3.046 6.329 1.00 1.14 O ATOM 972 CB ALA A 69 9.820 1.254 7.563 1.00 1.37 C ATOM 0 H ALA A 69 9.223 3.564 7.869 1.00 1.14 H new ATOM 0 HA ALA A 69 11.117 1.928 9.150 1.00 1.11 H new ATOM 0 HB1 ALA A 69 10.286 0.271 7.494 1.00 1.37 H new ATOM 0 HB2 ALA A 69 8.943 1.195 8.207 1.00 1.37 H new ATOM 0 HB3 ALA A 69 9.518 1.583 6.569 1.00 1.37 H new ATOM 978 N THR A 70 13.153 1.566 7.736 1.00 0.93 N ATOM 979 CA THR A 70 14.496 1.641 7.129 1.00 0.98 C ATOM 980 C THR A 70 14.573 1.062 5.724 1.00 0.92 C ATOM 981 O THR A 70 15.525 1.376 5.019 1.00 1.13 O ATOM 982 CB THR A 70 15.564 1.053 8.055 1.00 1.13 C ATOM 983 OG1 THR A 70 16.790 1.636 7.689 1.00 2.28 O ATOM 984 CG2 THR A 70 15.705 -0.471 8.005 1.00 2.27 C ATOM 0 H THR A 70 13.081 0.886 8.493 1.00 0.93 H new ATOM 0 HA THR A 70 14.707 2.704 7.008 1.00 0.98 H new ATOM 0 HB THR A 70 15.261 1.277 9.078 1.00 1.13 H new ATOM 0 HG1 THR A 70 16.787 1.829 6.728 1.00 2.28 H new ATOM 0 HG21 THR A 70 16.486 -0.787 8.696 1.00 2.27 H new ATOM 0 HG22 THR A 70 14.760 -0.933 8.290 1.00 2.27 H new ATOM 0 HG23 THR A 70 15.969 -0.779 6.993 1.00 2.27 H new ATOM 992 N SER A 71 13.579 0.281 5.301 1.00 0.85 N ATOM 993 CA SER A 71 13.370 -0.013 3.879 1.00 0.96 C ATOM 994 C SER A 71 11.873 -0.139 3.502 1.00 0.95 C ATOM 995 O SER A 71 11.164 -0.974 4.075 1.00 1.04 O ATOM 996 CB SER A 71 14.153 -1.269 3.477 1.00 1.07 C ATOM 997 OG SER A 71 14.212 -1.385 2.070 1.00 2.06 O ATOM 0 H SER A 71 12.903 -0.162 5.923 1.00 0.85 H new ATOM 0 HA SER A 71 13.751 0.838 3.315 1.00 0.96 H new ATOM 0 HB2 SER A 71 15.162 -1.223 3.887 1.00 1.07 H new ATOM 0 HB3 SER A 71 13.677 -2.153 3.901 1.00 1.07 H new ATOM 0 HG SER A 71 14.716 -2.190 1.829 1.00 2.06 H new ATOM 1003 N PRO A 72 11.358 0.653 2.535 1.00 0.98 N ATOM 1004 CA PRO A 72 10.019 0.469 1.973 1.00 1.01 C ATOM 1005 C PRO A 72 10.044 -0.642 0.915 1.00 0.93 C ATOM 1006 O PRO A 72 10.608 -0.450 -0.162 1.00 1.11 O ATOM 1007 CB PRO A 72 9.652 1.829 1.361 1.00 1.17 C ATOM 1008 CG PRO A 72 11.000 2.433 0.964 1.00 1.20 C ATOM 1009 CD PRO A 72 11.978 1.853 1.988 1.00 1.11 C ATOM 0 HA PRO A 72 9.285 0.165 2.719 1.00 1.01 H new ATOM 0 HB2 PRO A 72 8.996 1.714 0.498 1.00 1.17 H new ATOM 0 HB3 PRO A 72 9.127 2.461 2.078 1.00 1.17 H new ATOM 0 HG2 PRO A 72 11.277 2.158 -0.054 1.00 1.20 H new ATOM 0 HG3 PRO A 72 10.978 3.522 1.005 1.00 1.20 H new ATOM 0 HD2 PRO A 72 12.932 1.614 1.518 1.00 1.11 H new ATOM 0 HD3 PRO A 72 12.183 2.576 2.778 1.00 1.11 H new ATOM 1017 N MET A 73 9.444 -1.804 1.210 1.00 0.82 N ATOM 1018 CA MET A 73 9.568 -3.015 0.383 1.00 0.77 C ATOM 1019 C MET A 73 8.203 -3.489 -0.139 1.00 0.68 C ATOM 1020 O MET A 73 7.449 -4.180 0.543 1.00 0.91 O ATOM 1021 CB MET A 73 10.312 -4.086 1.199 1.00 0.94 C ATOM 1022 CG MET A 73 10.821 -5.252 0.342 1.00 1.05 C ATOM 1023 SD MET A 73 12.081 -4.786 -0.880 1.00 2.51 S ATOM 1024 CE MET A 73 12.521 -6.434 -1.492 1.00 2.54 C ATOM 0 H MET A 73 8.856 -1.932 2.033 1.00 0.82 H new ATOM 0 HA MET A 73 10.150 -2.799 -0.513 1.00 0.77 H new ATOM 0 HB2 MET A 73 11.156 -3.623 1.710 1.00 0.94 H new ATOM 0 HB3 MET A 73 9.646 -4.474 1.970 1.00 0.94 H new ATOM 0 HG2 MET A 73 11.234 -6.017 0.999 1.00 1.05 H new ATOM 0 HG3 MET A 73 9.975 -5.701 -0.179 1.00 1.05 H new ATOM 0 HE1 MET A 73 13.291 -6.344 -2.258 1.00 2.54 H new ATOM 0 HE2 MET A 73 12.899 -7.039 -0.668 1.00 2.54 H new ATOM 0 HE3 MET A 73 11.639 -6.911 -1.918 1.00 2.54 H new ATOM 1034 N LEU A 74 7.878 -3.091 -1.366 1.00 0.87 N ATOM 1035 CA LEU A 74 6.588 -3.315 -2.031 1.00 0.86 C ATOM 1036 C LEU A 74 6.612 -4.558 -2.923 1.00 0.89 C ATOM 1037 O LEU A 74 7.619 -4.845 -3.574 1.00 1.12 O ATOM 1038 CB LEU A 74 6.142 -2.050 -2.807 1.00 1.11 C ATOM 1039 CG LEU A 74 7.248 -1.287 -3.578 1.00 1.53 C ATOM 1040 CD1 LEU A 74 6.676 -0.644 -4.848 1.00 2.91 C ATOM 1041 CD2 LEU A 74 7.874 -0.170 -2.720 1.00 2.34 C ATOM 0 H LEU A 74 8.535 -2.579 -1.955 1.00 0.87 H new ATOM 0 HA LEU A 74 5.845 -3.507 -1.257 1.00 0.86 H new ATOM 0 HB2 LEU A 74 5.369 -2.341 -3.518 1.00 1.11 H new ATOM 0 HB3 LEU A 74 5.681 -1.360 -2.100 1.00 1.11 H new ATOM 0 HG LEU A 74 8.014 -2.020 -3.833 1.00 1.53 H new ATOM 0 HD11 LEU A 74 7.468 -0.113 -5.375 1.00 2.91 H new ATOM 0 HD12 LEU A 74 6.266 -1.419 -5.495 1.00 2.91 H new ATOM 0 HD13 LEU A 74 5.887 0.058 -4.577 1.00 2.91 H new ATOM 0 HD21 LEU A 74 8.645 0.342 -3.296 1.00 2.34 H new ATOM 0 HD22 LEU A 74 7.102 0.544 -2.432 1.00 2.34 H new ATOM 0 HD23 LEU A 74 8.318 -0.605 -1.824 1.00 2.34 H new ATOM 1053 N MET A 75 5.483 -5.275 -3.002 1.00 0.97 N ATOM 1054 CA MET A 75 5.269 -6.372 -3.961 1.00 1.21 C ATOM 1055 C MET A 75 3.791 -6.692 -4.238 1.00 1.23 C ATOM 1056 O MET A 75 2.886 -6.214 -3.557 1.00 1.61 O ATOM 1057 CB MET A 75 6.056 -7.628 -3.535 1.00 1.42 C ATOM 1058 CG MET A 75 5.567 -8.248 -2.221 1.00 2.12 C ATOM 1059 SD MET A 75 6.312 -9.860 -1.853 1.00 2.54 S ATOM 1060 CE MET A 75 8.015 -9.342 -1.517 1.00 2.95 C ATOM 0 H MET A 75 4.681 -5.109 -2.394 1.00 0.97 H new ATOM 0 HA MET A 75 5.659 -6.017 -4.915 1.00 1.21 H new ATOM 0 HB2 MET A 75 5.987 -8.375 -4.326 1.00 1.42 H new ATOM 0 HB3 MET A 75 7.110 -7.368 -3.433 1.00 1.42 H new ATOM 0 HG2 MET A 75 5.785 -7.562 -1.403 1.00 2.12 H new ATOM 0 HG3 MET A 75 4.484 -8.360 -2.263 1.00 2.12 H new ATOM 0 HE1 MET A 75 8.584 -10.189 -1.134 1.00 2.95 H new ATOM 0 HE2 MET A 75 8.474 -8.983 -2.438 1.00 2.95 H new ATOM 0 HE3 MET A 75 8.013 -8.542 -0.776 1.00 2.95 H new ATOM 1070 N THR A 76 3.584 -7.571 -5.222 1.00 1.16 N ATOM 1071 CA THR A 76 2.330 -8.213 -5.605 1.00 1.19 C ATOM 1072 C THR A 76 2.655 -9.469 -6.413 1.00 1.38 C ATOM 1073 O THR A 76 3.674 -9.505 -7.104 1.00 1.65 O ATOM 1074 CB THR A 76 1.386 -7.230 -6.330 1.00 1.51 C ATOM 1075 OG1 THR A 76 0.372 -7.929 -6.997 1.00 2.30 O ATOM 1076 CG2 THR A 76 2.066 -6.378 -7.408 1.00 2.03 C ATOM 0 H THR A 76 4.354 -7.875 -5.818 1.00 1.16 H new ATOM 0 HA THR A 76 1.776 -8.520 -4.718 1.00 1.19 H new ATOM 0 HB THR A 76 1.016 -6.581 -5.536 1.00 1.51 H new ATOM 0 HG1 THR A 76 -0.032 -8.581 -6.387 1.00 2.30 H new ATOM 0 HG21 THR A 76 1.331 -5.716 -7.866 1.00 2.03 H new ATOM 0 HG22 THR A 76 2.858 -5.782 -6.955 1.00 2.03 H new ATOM 0 HG23 THR A 76 2.493 -7.029 -8.171 1.00 2.03 H new ATOM 1084 N THR A 77 1.821 -10.495 -6.266 1.00 1.45 N ATOM 1085 CA THR A 77 1.778 -11.738 -7.031 1.00 1.65 C ATOM 1086 C THR A 77 0.457 -11.752 -7.807 1.00 1.56 C ATOM 1087 O THR A 77 -0.084 -10.701 -8.144 1.00 2.14 O ATOM 1088 CB THR A 77 1.975 -12.939 -6.080 1.00 1.91 C ATOM 1089 OG1 THR A 77 1.334 -12.750 -4.837 1.00 2.55 O ATOM 1090 CG2 THR A 77 3.467 -13.116 -5.796 1.00 2.77 C ATOM 0 H THR A 77 1.097 -10.476 -5.548 1.00 1.45 H new ATOM 0 HA THR A 77 2.587 -11.812 -7.758 1.00 1.65 H new ATOM 0 HB THR A 77 1.544 -13.810 -6.573 1.00 1.91 H new ATOM 0 HG1 THR A 77 1.484 -13.534 -4.269 1.00 2.55 H new ATOM 0 HG21 THR A 77 3.612 -13.963 -5.125 1.00 2.77 H new ATOM 0 HG22 THR A 77 3.996 -13.300 -6.731 1.00 2.77 H new ATOM 0 HG23 THR A 77 3.858 -12.212 -5.329 1.00 2.77 H new ATOM 1098 N THR A 78 -0.091 -12.917 -8.136 1.00 1.94 N ATOM 1099 CA THR A 78 -1.323 -13.077 -8.910 1.00 1.88 C ATOM 1100 C THR A 78 -2.580 -12.747 -8.115 1.00 2.56 C ATOM 1101 O THR A 78 -3.373 -13.616 -7.774 1.00 4.13 O ATOM 1102 CB THR A 78 -1.421 -14.480 -9.477 1.00 3.56 C ATOM 1103 OG1 THR A 78 -1.253 -15.416 -8.432 1.00 4.41 O ATOM 1104 CG2 THR A 78 -0.342 -14.734 -10.530 1.00 4.94 C ATOM 0 H THR A 78 0.323 -13.808 -7.863 1.00 1.94 H new ATOM 0 HA THR A 78 -1.265 -12.355 -9.725 1.00 1.88 H new ATOM 0 HB THR A 78 -2.400 -14.586 -9.945 1.00 3.56 H new ATOM 0 HG1 THR A 78 -1.952 -15.282 -7.758 1.00 4.41 H new ATOM 0 HG21 THR A 78 -0.441 -15.749 -10.915 1.00 4.94 H new ATOM 0 HG22 THR A 78 -0.457 -14.022 -11.348 1.00 4.94 H new ATOM 0 HG23 THR A 78 0.643 -14.612 -10.079 1.00 4.94 H new ATOM 1112 N HIS A 79 -2.788 -11.463 -7.890 1.00 2.81 N ATOM 1113 CA HIS A 79 -3.996 -10.881 -7.324 1.00 4.26 C ATOM 1114 C HIS A 79 -4.308 -9.533 -8.010 1.00 4.16 C ATOM 1115 O HIS A 79 -3.422 -8.828 -8.492 1.00 5.04 O ATOM 1116 CB HIS A 79 -3.823 -10.715 -5.802 1.00 6.15 C ATOM 1117 CG HIS A 79 -4.657 -11.650 -4.944 1.00 6.94 C ATOM 1118 ND1 HIS A 79 -5.687 -11.256 -4.123 1.00 8.08 N ATOM 1119 CD2 HIS A 79 -4.547 -13.012 -4.812 1.00 7.16 C ATOM 1120 CE1 HIS A 79 -6.212 -12.350 -3.551 1.00 8.74 C ATOM 1121 NE2 HIS A 79 -5.537 -13.457 -3.925 1.00 8.27 N ATOM 0 H HIS A 79 -2.083 -10.759 -8.108 1.00 2.81 H new ATOM 0 HA HIS A 79 -4.842 -11.545 -7.501 1.00 4.26 H new ATOM 0 HB2 HIS A 79 -2.772 -10.864 -5.555 1.00 6.15 H new ATOM 0 HB3 HIS A 79 -4.071 -9.687 -5.536 1.00 6.15 H new ATOM 0 HD2 HIS A 79 -3.819 -13.636 -5.309 1.00 7.16 H new ATOM 0 HE1 HIS A 79 -7.060 -12.345 -2.882 1.00 8.74 H new ATOM 0 HE2 HIS A 79 -5.711 -14.416 -3.625 1.00 8.27 H new ATOM 1129 N SER A 80 -5.601 -9.209 -8.047 1.00 3.90 N ATOM 1130 CA SER A 80 -6.307 -7.950 -8.404 1.00 4.14 C ATOM 1131 C SER A 80 -7.778 -8.259 -8.755 1.00 4.30 C ATOM 1132 O SER A 80 -8.151 -9.430 -8.834 1.00 4.80 O ATOM 1133 CB SER A 80 -5.611 -7.132 -9.504 1.00 3.75 C ATOM 1134 OG SER A 80 -4.466 -6.504 -8.979 1.00 5.13 O ATOM 0 H SER A 80 -6.287 -9.920 -7.792 1.00 3.90 H new ATOM 0 HA SER A 80 -6.275 -7.306 -7.525 1.00 4.14 H new ATOM 0 HB2 SER A 80 -5.332 -7.783 -10.333 1.00 3.75 H new ATOM 0 HB3 SER A 80 -6.297 -6.384 -9.903 1.00 3.75 H new ATOM 0 HG SER A 80 -3.766 -7.173 -8.830 1.00 5.13 H new ATOM 1140 N GLY A 81 -8.653 -7.262 -8.969 1.00 4.48 N ATOM 1141 CA GLY A 81 -10.113 -7.505 -9.093 1.00 5.21 C ATOM 1142 C GLY A 81 -10.583 -8.188 -10.388 1.00 5.27 C ATOM 1143 O GLY A 81 -11.753 -8.546 -10.523 1.00 6.16 O ATOM 0 H GLY A 81 -8.383 -6.283 -9.060 1.00 4.48 H new ATOM 0 HA2 GLY A 81 -10.431 -8.117 -8.249 1.00 5.21 H new ATOM 0 HA3 GLY A 81 -10.628 -6.548 -9.005 1.00 5.21 H new ATOM 1147 N GLY A 82 -9.681 -8.377 -11.351 1.00 4.78 N ATOM 1148 CA GLY A 82 -9.877 -9.179 -12.574 1.00 5.28 C ATOM 1149 C GLY A 82 -8.584 -9.493 -13.336 1.00 4.99 C ATOM 1150 O GLY A 82 -8.655 -9.964 -14.471 1.00 5.62 O ATOM 0 H GLY A 82 -8.751 -7.960 -11.305 1.00 4.78 H new ATOM 0 HA2 GLY A 82 -10.364 -10.117 -12.306 1.00 5.28 H new ATOM 0 HA3 GLY A 82 -10.557 -8.646 -13.239 1.00 5.28 H new ATOM 1154 N MET A 83 -7.424 -9.228 -12.727 1.00 4.25 N ATOM 1155 CA MET A 83 -6.090 -9.228 -13.335 1.00 3.90 C ATOM 1156 C MET A 83 -5.090 -9.913 -12.387 1.00 3.47 C ATOM 1157 O MET A 83 -5.405 -10.133 -11.218 1.00 3.59 O ATOM 1158 CB MET A 83 -5.657 -7.769 -13.620 1.00 3.52 C ATOM 1159 CG MET A 83 -5.333 -7.517 -15.095 1.00 4.31 C ATOM 1160 SD MET A 83 -6.768 -7.560 -16.200 1.00 6.43 S ATOM 1161 CE MET A 83 -5.942 -7.253 -17.784 1.00 7.20 C ATOM 0 H MET A 83 -7.390 -8.993 -11.735 1.00 4.25 H new ATOM 0 HA MET A 83 -6.112 -9.780 -14.275 1.00 3.90 H new ATOM 0 HB2 MET A 83 -6.453 -7.092 -13.308 1.00 3.52 H new ATOM 0 HB3 MET A 83 -4.781 -7.531 -13.016 1.00 3.52 H new ATOM 0 HG2 MET A 83 -4.850 -6.544 -15.186 1.00 4.31 H new ATOM 0 HG3 MET A 83 -4.612 -8.264 -15.428 1.00 4.31 H new ATOM 0 HE1 MET A 83 -6.682 -7.246 -18.585 1.00 7.20 H new ATOM 0 HE2 MET A 83 -5.435 -6.289 -17.749 1.00 7.20 H new ATOM 0 HE3 MET A 83 -5.212 -8.040 -17.972 1.00 7.20 H new ATOM 1171 N ALA A 84 -3.882 -10.208 -12.874 1.00 3.13 N ATOM 1172 CA ALA A 84 -2.748 -10.648 -12.068 1.00 2.75 C ATOM 1173 C ALA A 84 -1.732 -9.511 -11.853 1.00 3.20 C ATOM 1174 O ALA A 84 -1.575 -8.660 -12.741 1.00 3.69 O ATOM 1175 CB ALA A 84 -2.089 -11.843 -12.769 1.00 2.51 C ATOM 0 H ALA A 84 -3.663 -10.144 -13.868 1.00 3.13 H new ATOM 0 HA ALA A 84 -3.102 -10.944 -11.081 1.00 2.75 H new ATOM 0 HB1 ALA A 84 -1.238 -12.186 -12.180 1.00 2.51 H new ATOM 0 HB2 ALA A 84 -2.813 -12.652 -12.866 1.00 2.51 H new ATOM 0 HB3 ALA A 84 -1.747 -11.541 -13.759 1.00 2.51 H new ATOM 1181 N GLY A 85 -1.017 -9.543 -10.721 1.00 3.31 N ATOM 1182 CA GLY A 85 0.154 -8.711 -10.493 1.00 3.91 C ATOM 1183 C GLY A 85 1.424 -9.514 -10.742 1.00 2.64 C ATOM 1184 O GLY A 85 1.395 -10.623 -11.284 1.00 2.30 O ATOM 0 H GLY A 85 -1.243 -10.154 -9.936 1.00 3.31 H new ATOM 0 HA2 GLY A 85 0.128 -7.844 -11.153 1.00 3.91 H new ATOM 0 HA3 GLY A 85 0.148 -8.334 -9.470 1.00 3.91 H new ATOM 1188 N MET A 86 2.550 -8.915 -10.357 1.00 3.02 N ATOM 1189 CA MET A 86 3.911 -9.443 -10.511 1.00 2.50 C ATOM 1190 C MET A 86 4.905 -8.611 -9.685 1.00 2.36 C ATOM 1191 O MET A 86 4.717 -7.409 -9.490 1.00 3.59 O ATOM 1192 CB MET A 86 4.313 -9.483 -12.000 1.00 4.01 C ATOM 1193 CG MET A 86 5.624 -10.238 -12.263 1.00 4.12 C ATOM 1194 SD MET A 86 5.607 -11.978 -11.748 1.00 4.04 S ATOM 1195 CE MET A 86 7.227 -12.491 -12.373 1.00 4.99 C ATOM 0 H MET A 86 2.540 -8.000 -9.905 1.00 3.02 H new ATOM 0 HA MET A 86 3.934 -10.465 -10.134 1.00 2.50 H new ATOM 0 HB2 MET A 86 3.512 -9.953 -12.571 1.00 4.01 H new ATOM 0 HB3 MET A 86 4.411 -8.462 -12.369 1.00 4.01 H new ATOM 0 HG2 MET A 86 5.849 -10.190 -13.328 1.00 4.12 H new ATOM 0 HG3 MET A 86 6.434 -9.726 -11.743 1.00 4.12 H new ATOM 0 HE1 MET A 86 7.389 -13.544 -12.143 1.00 4.99 H new ATOM 0 HE2 MET A 86 7.263 -12.345 -13.453 1.00 4.99 H new ATOM 0 HE3 MET A 86 8.006 -11.893 -11.900 1.00 4.99 H new ATOM 1205 N LYS A 87 5.972 -9.244 -9.195 1.00 1.64 N ATOM 1206 CA LYS A 87 6.765 -8.670 -8.109 1.00 1.71 C ATOM 1207 C LYS A 87 7.412 -7.300 -8.417 1.00 1.54 C ATOM 1208 O LYS A 87 7.844 -7.006 -9.540 1.00 2.75 O ATOM 1209 CB LYS A 87 7.774 -9.699 -7.571 1.00 2.81 C ATOM 1210 CG LYS A 87 7.063 -10.730 -6.680 1.00 3.67 C ATOM 1211 CD LYS A 87 8.070 -11.669 -6.012 1.00 5.11 C ATOM 1212 CE LYS A 87 7.350 -12.548 -4.987 1.00 6.46 C ATOM 1213 NZ LYS A 87 8.297 -13.444 -4.291 1.00 7.71 N ATOM 0 H LYS A 87 6.305 -10.148 -9.531 1.00 1.64 H new ATOM 0 HA LYS A 87 6.054 -8.435 -7.317 1.00 1.71 H new ATOM 0 HB2 LYS A 87 8.266 -10.205 -8.402 1.00 2.81 H new ATOM 0 HB3 LYS A 87 8.552 -9.191 -7.001 1.00 2.81 H new ATOM 0 HG2 LYS A 87 6.480 -10.215 -5.917 1.00 3.67 H new ATOM 0 HG3 LYS A 87 6.362 -11.311 -7.279 1.00 3.67 H new ATOM 0 HD2 LYS A 87 8.555 -12.292 -6.763 1.00 5.11 H new ATOM 0 HD3 LYS A 87 8.854 -11.090 -5.523 1.00 5.11 H new ATOM 0 HE2 LYS A 87 6.840 -11.918 -4.259 1.00 6.46 H new ATOM 0 HE3 LYS A 87 6.585 -13.141 -5.487 1.00 6.46 H new ATOM 0 HZ1 LYS A 87 7.780 -14.028 -3.602 1.00 7.71 H new ATOM 0 HZ2 LYS A 87 8.766 -14.061 -4.985 1.00 7.71 H new ATOM 0 HZ3 LYS A 87 9.012 -12.875 -3.795 1.00 7.71 H new ATOM 1227 N MET A 88 7.469 -6.486 -7.352 1.00 1.67 N ATOM 1228 CA MET A 88 7.809 -5.054 -7.246 1.00 2.00 C ATOM 1229 C MET A 88 6.527 -4.203 -7.281 1.00 1.88 C ATOM 1230 O MET A 88 5.885 -4.053 -6.245 1.00 3.28 O ATOM 1231 CB MET A 88 8.882 -4.533 -8.231 1.00 2.95 C ATOM 1232 CG MET A 88 10.252 -5.190 -8.063 1.00 3.16 C ATOM 1233 SD MET A 88 11.534 -4.375 -9.053 1.00 4.36 S ATOM 1234 CE MET A 88 12.508 -3.625 -7.722 1.00 5.56 C ATOM 0 H MET A 88 7.251 -6.861 -6.429 1.00 1.67 H new ATOM 0 HA MET A 88 8.298 -4.947 -6.278 1.00 2.00 H new ATOM 0 HB2 MET A 88 8.534 -4.697 -9.251 1.00 2.95 H new ATOM 0 HB3 MET A 88 8.988 -3.456 -8.100 1.00 2.95 H new ATOM 0 HG2 MET A 88 10.538 -5.165 -7.011 1.00 3.16 H new ATOM 0 HG3 MET A 88 10.187 -6.239 -8.351 1.00 3.16 H new ATOM 0 HE1 MET A 88 13.348 -3.077 -8.150 1.00 5.56 H new ATOM 0 HE2 MET A 88 11.880 -2.940 -7.153 1.00 5.56 H new ATOM 0 HE3 MET A 88 12.883 -4.406 -7.061 1.00 5.56 H new ATOM 1244 N VAL A 89 6.165 -3.643 -8.434 1.00 1.89 N ATOM 1245 CA VAL A 89 5.285 -2.466 -8.522 1.00 1.98 C ATOM 1246 C VAL A 89 3.787 -2.827 -8.401 1.00 1.73 C ATOM 1247 O VAL A 89 3.300 -3.588 -9.238 1.00 1.92 O ATOM 1248 CB VAL A 89 5.554 -1.636 -9.801 1.00 2.47 C ATOM 1249 CG1 VAL A 89 6.836 -0.802 -9.624 1.00 2.39 C ATOM 1250 CG2 VAL A 89 5.704 -2.477 -11.085 1.00 3.77 C ATOM 0 H VAL A 89 6.473 -3.991 -9.342 1.00 1.89 H new ATOM 0 HA VAL A 89 5.532 -1.844 -7.661 1.00 1.98 H new ATOM 0 HB VAL A 89 4.673 -1.007 -9.927 1.00 2.47 H new ATOM 0 HG11 VAL A 89 7.019 -0.220 -10.527 1.00 2.39 H new ATOM 0 HG12 VAL A 89 6.717 -0.127 -8.776 1.00 2.39 H new ATOM 0 HG13 VAL A 89 7.681 -1.467 -9.443 1.00 2.39 H new ATOM 0 HG21 VAL A 89 5.890 -1.817 -11.932 1.00 3.77 H new ATOM 0 HG22 VAL A 89 6.540 -3.167 -10.972 1.00 3.77 H new ATOM 0 HG23 VAL A 89 4.788 -3.042 -11.259 1.00 3.77 H new ATOM 1260 N PRO A 90 3.049 -2.279 -7.404 1.00 1.52 N ATOM 1261 CA PRO A 90 1.619 -2.523 -7.222 1.00 1.53 C ATOM 1262 C PRO A 90 0.758 -1.658 -8.153 1.00 1.87 C ATOM 1263 O PRO A 90 -0.182 -2.183 -8.748 1.00 3.50 O ATOM 1264 CB PRO A 90 1.343 -2.234 -5.744 1.00 1.55 C ATOM 1265 CG PRO A 90 2.366 -1.160 -5.399 1.00 1.55 C ATOM 1266 CD PRO A 90 3.565 -1.538 -6.262 1.00 1.49 C ATOM 0 HA PRO A 90 1.355 -3.548 -7.483 1.00 1.53 H new ATOM 0 HB2 PRO A 90 0.323 -1.883 -5.587 1.00 1.55 H new ATOM 0 HB3 PRO A 90 1.472 -3.125 -5.129 1.00 1.55 H new ATOM 0 HG2 PRO A 90 1.998 -0.161 -5.635 1.00 1.55 H new ATOM 0 HG3 PRO A 90 2.615 -1.166 -4.338 1.00 1.55 H new ATOM 0 HD2 PRO A 90 4.100 -0.647 -6.590 1.00 1.49 H new ATOM 0 HD3 PRO A 90 4.272 -2.144 -5.696 1.00 1.49 H new ATOM 1274 N TRP A 91 1.086 -0.366 -8.329 1.00 1.45 N ATOM 1275 CA TRP A 91 0.572 0.461 -9.421 1.00 1.50 C ATOM 1276 C TRP A 91 1.658 0.906 -10.409 1.00 2.71 C ATOM 1277 O TRP A 91 2.854 0.736 -10.195 1.00 4.43 O ATOM 1278 CB TRP A 91 -0.237 1.647 -8.882 1.00 3.54 C ATOM 1279 CG TRP A 91 -1.436 1.266 -8.080 1.00 4.61 C ATOM 1280 CD1 TRP A 91 -2.342 0.315 -8.395 1.00 3.64 C ATOM 1281 CD2 TRP A 91 -1.819 1.755 -6.765 1.00 6.93 C ATOM 1282 NE1 TRP A 91 -3.238 0.163 -7.350 1.00 5.10 N ATOM 1283 CE2 TRP A 91 -2.943 1.013 -6.306 1.00 7.17 C ATOM 1284 CE3 TRP A 91 -1.276 2.711 -5.899 1.00 8.87 C ATOM 1285 CZ2 TRP A 91 -3.478 1.207 -5.024 1.00 9.22 C ATOM 1286 CZ3 TRP A 91 -1.787 2.902 -4.605 1.00 10.93 C ATOM 1287 CH2 TRP A 91 -2.900 2.168 -4.175 1.00 11.12 C ATOM 0 H TRP A 91 1.722 0.133 -7.708 1.00 1.45 H new ATOM 0 HA TRP A 91 -0.103 -0.172 -9.997 1.00 1.50 H new ATOM 0 HB2 TRP A 91 0.415 2.265 -8.265 1.00 3.54 H new ATOM 0 HB3 TRP A 91 -0.558 2.263 -9.722 1.00 3.54 H new ATOM 0 HD1 TRP A 91 -2.364 -0.242 -9.320 1.00 3.64 H new ATOM 0 HE1 TRP A 91 -4.018 -0.495 -7.353 1.00 5.10 H new ATOM 0 HE3 TRP A 91 -0.446 3.315 -6.233 1.00 8.87 H new ATOM 0 HZ2 TRP A 91 -4.325 0.625 -4.692 1.00 9.22 H new ATOM 0 HZ3 TRP A 91 -1.322 3.615 -3.941 1.00 10.93 H new ATOM 0 HH2 TRP A 91 -3.314 2.340 -3.192 1.00 11.12 H new ATOM 1298 N LEU A 92 1.176 1.443 -11.529 1.00 2.98 N ATOM 1299 CA LEU A 92 1.873 1.699 -12.796 1.00 5.14 C ATOM 1300 C LEU A 92 0.851 2.270 -13.788 1.00 5.10 C ATOM 1301 O LEU A 92 1.067 3.332 -14.369 1.00 6.16 O ATOM 1302 CB LEU A 92 2.569 0.407 -13.292 1.00 6.88 C ATOM 1303 CG LEU A 92 1.680 -0.868 -13.290 1.00 7.95 C ATOM 1304 CD1 LEU A 92 1.291 -1.274 -14.720 1.00 9.57 C ATOM 1305 CD2 LEU A 92 2.405 -2.041 -12.617 1.00 9.18 C ATOM 0 H LEU A 92 0.201 1.737 -11.581 1.00 2.98 H new ATOM 0 HA LEU A 92 2.670 2.433 -12.676 1.00 5.14 H new ATOM 0 HB2 LEU A 92 2.932 0.576 -14.306 1.00 6.88 H new ATOM 0 HB3 LEU A 92 3.443 0.222 -12.667 1.00 6.88 H new ATOM 0 HG LEU A 92 0.777 -0.630 -12.727 1.00 7.95 H new ATOM 0 HD11 LEU A 92 0.669 -2.169 -14.688 1.00 9.57 H new ATOM 0 HD12 LEU A 92 0.735 -0.463 -15.190 1.00 9.57 H new ATOM 0 HD13 LEU A 92 2.192 -1.479 -15.298 1.00 9.57 H new ATOM 0 HD21 LEU A 92 1.762 -2.921 -12.628 1.00 9.18 H new ATOM 0 HD22 LEU A 92 3.326 -2.258 -13.158 1.00 9.18 H new ATOM 0 HD23 LEU A 92 2.643 -1.779 -11.586 1.00 9.18 H new ATOM 1317 N THR A 93 -0.302 1.594 -13.836 1.00 4.10 N ATOM 1318 CA THR A 93 -1.591 1.929 -14.443 1.00 3.91 C ATOM 1319 C THR A 93 -2.641 1.199 -13.613 1.00 3.08 C ATOM 1320 O THR A 93 -2.443 0.035 -13.269 1.00 3.20 O ATOM 1321 CB THR A 93 -1.685 1.378 -15.868 1.00 4.91 C ATOM 1322 OG1 THR A 93 -0.614 1.832 -16.670 1.00 5.96 O ATOM 1323 CG2 THR A 93 -2.965 1.802 -16.590 1.00 5.26 C ATOM 0 H THR A 93 -0.357 0.678 -13.390 1.00 4.10 H new ATOM 0 HA THR A 93 -1.723 3.011 -14.472 1.00 3.91 H new ATOM 0 HB THR A 93 -1.665 0.295 -15.745 1.00 4.91 H new ATOM 0 HG1 THR A 93 -0.702 1.462 -17.573 1.00 5.96 H new ATOM 0 HG21 THR A 93 -2.973 1.380 -17.595 1.00 5.26 H new ATOM 0 HG22 THR A 93 -3.832 1.439 -16.037 1.00 5.26 H new ATOM 0 HG23 THR A 93 -3.004 2.889 -16.653 1.00 5.26 H new ATOM 1331 N ILE A 94 -3.777 1.830 -13.343 1.00 2.67 N ATOM 1332 CA ILE A 94 -5.021 1.161 -13.006 1.00 2.33 C ATOM 1333 C ILE A 94 -5.986 1.449 -14.164 1.00 1.95 C ATOM 1334 O ILE A 94 -6.332 2.618 -14.345 1.00 2.12 O ATOM 1335 CB ILE A 94 -5.585 1.693 -11.675 1.00 2.69 C ATOM 1336 CG1 ILE A 94 -4.523 1.687 -10.549 1.00 4.42 C ATOM 1337 CG2 ILE A 94 -6.785 0.808 -11.286 1.00 3.00 C ATOM 1338 CD1 ILE A 94 -3.777 3.020 -10.377 1.00 5.94 C ATOM 0 H ILE A 94 -3.857 2.847 -13.353 1.00 2.67 H new ATOM 0 HA ILE A 94 -4.872 0.089 -12.874 1.00 2.33 H new ATOM 0 HB ILE A 94 -5.892 2.731 -11.805 1.00 2.69 H new ATOM 0 HG12 ILE A 94 -5.010 1.432 -9.608 1.00 4.42 H new ATOM 0 HG13 ILE A 94 -3.796 0.901 -10.755 1.00 4.42 H new ATOM 0 HG21 ILE A 94 -7.207 1.161 -10.345 1.00 3.00 H new ATOM 0 HG22 ILE A 94 -7.544 0.861 -12.067 1.00 3.00 H new ATOM 0 HG23 ILE A 94 -6.454 -0.224 -11.171 1.00 3.00 H new ATOM 0 HD11 ILE A 94 -3.052 2.929 -9.568 1.00 5.94 H new ATOM 0 HD12 ILE A 94 -3.259 3.269 -11.303 1.00 5.94 H new ATOM 0 HD13 ILE A 94 -4.491 3.808 -10.138 1.00 5.94 H new ATOM 1350 N PRO A 95 -6.402 0.441 -14.955 1.00 2.07 N ATOM 1351 CA PRO A 95 -7.446 0.616 -15.951 1.00 2.20 C ATOM 1352 C PRO A 95 -8.817 0.667 -15.266 1.00 1.75 C ATOM 1353 O PRO A 95 -9.003 0.156 -14.156 1.00 2.18 O ATOM 1354 CB PRO A 95 -7.302 -0.570 -16.907 1.00 2.99 C ATOM 1355 CG PRO A 95 -6.762 -1.676 -16.003 1.00 3.04 C ATOM 1356 CD PRO A 95 -5.897 -0.923 -14.991 1.00 2.65 C ATOM 0 HA PRO A 95 -7.357 1.552 -16.502 1.00 2.20 H new ATOM 0 HB2 PRO A 95 -8.257 -0.845 -17.355 1.00 2.99 H new ATOM 0 HB3 PRO A 95 -6.618 -0.348 -17.726 1.00 2.99 H new ATOM 0 HG2 PRO A 95 -7.568 -2.223 -15.513 1.00 3.04 H new ATOM 0 HG3 PRO A 95 -6.178 -2.405 -16.566 1.00 3.04 H new ATOM 0 HD2 PRO A 95 -5.959 -1.386 -14.006 1.00 2.65 H new ATOM 0 HD3 PRO A 95 -4.848 -0.941 -15.287 1.00 2.65 H new ATOM 1364 N ALA A 96 -9.781 1.284 -15.951 1.00 1.88 N ATOM 1365 CA ALA A 96 -11.137 1.519 -15.464 1.00 1.78 C ATOM 1366 C ALA A 96 -11.932 0.201 -15.318 1.00 1.80 C ATOM 1367 O ALA A 96 -12.320 -0.375 -16.337 1.00 2.77 O ATOM 1368 CB ALA A 96 -11.794 2.510 -16.434 1.00 2.15 C ATOM 0 H ALA A 96 -9.632 1.646 -16.893 1.00 1.88 H new ATOM 0 HA ALA A 96 -11.121 1.943 -14.460 1.00 1.78 H new ATOM 0 HB1 ALA A 96 -12.814 2.716 -16.108 1.00 2.15 H new ATOM 0 HB2 ALA A 96 -11.223 3.438 -16.448 1.00 2.15 H new ATOM 0 HB3 ALA A 96 -11.813 2.080 -17.436 1.00 2.15 H new ATOM 1374 N ARG A 97 -12.115 -0.240 -14.059 1.00 1.79 N ATOM 1375 CA ARG A 97 -12.712 -1.493 -13.539 1.00 1.87 C ATOM 1376 C ARG A 97 -11.653 -2.414 -12.919 1.00 1.91 C ATOM 1377 O ARG A 97 -11.979 -3.225 -12.058 1.00 2.53 O ATOM 1378 CB ARG A 97 -13.516 -2.313 -14.574 1.00 1.97 C ATOM 1379 CG ARG A 97 -14.823 -1.643 -15.044 1.00 2.54 C ATOM 1380 CD ARG A 97 -15.221 -2.068 -16.465 1.00 2.96 C ATOM 1381 NE ARG A 97 -15.379 -3.524 -16.609 1.00 2.95 N ATOM 1382 CZ ARG A 97 -15.759 -4.142 -17.721 1.00 3.58 C ATOM 1383 NH1 ARG A 97 -16.143 -3.518 -18.813 1.00 4.29 N ATOM 1384 NH2 ARG A 97 -15.774 -5.454 -17.754 1.00 4.27 N ATOM 0 H ARG A 97 -11.810 0.346 -13.282 1.00 1.79 H new ATOM 0 HA ARG A 97 -13.415 -1.143 -12.783 1.00 1.87 H new ATOM 0 HB2 ARG A 97 -12.884 -2.497 -15.443 1.00 1.97 H new ATOM 0 HB3 ARG A 97 -13.755 -3.285 -14.142 1.00 1.97 H new ATOM 0 HG2 ARG A 97 -15.627 -1.897 -14.353 1.00 2.54 H new ATOM 0 HG3 ARG A 97 -14.705 -0.560 -15.011 1.00 2.54 H new ATOM 0 HD2 ARG A 97 -16.157 -1.578 -16.736 1.00 2.96 H new ATOM 0 HD3 ARG A 97 -14.464 -1.719 -17.168 1.00 2.96 H new ATOM 0 HE ARG A 97 -15.182 -4.102 -15.792 1.00 2.95 H new ATOM 0 HH11 ARG A 97 -16.161 -2.498 -18.838 1.00 4.29 H new ATOM 0 HH12 ARG A 97 -16.423 -4.054 -19.635 1.00 4.29 H new ATOM 0 HH21 ARG A 97 -15.496 -5.988 -16.931 1.00 4.27 H new ATOM 0 HH22 ARG A 97 -16.064 -5.940 -18.603 1.00 4.27 H new ATOM 1398 N GLY A 98 -10.392 -2.371 -13.377 1.00 1.63 N ATOM 1399 CA GLY A 98 -9.421 -3.458 -13.157 1.00 1.70 C ATOM 1400 C GLY A 98 -9.080 -3.735 -11.692 1.00 1.80 C ATOM 1401 O GLY A 98 -8.723 -4.869 -11.376 1.00 3.14 O ATOM 0 H GLY A 98 -10.016 -1.586 -13.908 1.00 1.63 H new ATOM 0 HA2 GLY A 98 -9.815 -4.372 -13.602 1.00 1.70 H new ATOM 0 HA3 GLY A 98 -8.501 -3.216 -13.689 1.00 1.70 H new ATOM 1405 N THR A 99 -9.211 -2.717 -10.822 1.00 1.51 N ATOM 1406 CA THR A 99 -9.046 -2.795 -9.363 1.00 1.58 C ATOM 1407 C THR A 99 -7.671 -3.367 -9.004 1.00 1.41 C ATOM 1408 O THR A 99 -7.562 -4.500 -8.535 1.00 1.54 O ATOM 1409 CB THR A 99 -10.194 -3.596 -8.725 1.00 1.99 C ATOM 1410 OG1 THR A 99 -11.439 -3.158 -9.214 1.00 2.80 O ATOM 1411 CG2 THR A 99 -10.225 -3.454 -7.199 1.00 2.43 C ATOM 0 H THR A 99 -9.446 -1.775 -11.134 1.00 1.51 H new ATOM 0 HA THR A 99 -9.093 -1.787 -8.952 1.00 1.58 H new ATOM 0 HB THR A 99 -10.015 -4.639 -8.988 1.00 1.99 H new ATOM 0 HG1 THR A 99 -11.518 -3.391 -10.163 1.00 2.80 H new ATOM 0 HG21 THR A 99 -11.053 -4.038 -6.796 1.00 2.43 H new ATOM 0 HG22 THR A 99 -9.287 -3.818 -6.781 1.00 2.43 H new ATOM 0 HG23 THR A 99 -10.358 -2.405 -6.934 1.00 2.43 H new ATOM 1419 N LEU A 100 -6.606 -2.614 -9.305 1.00 1.75 N ATOM 1420 CA LEU A 100 -5.241 -3.074 -9.030 1.00 2.08 C ATOM 1421 C LEU A 100 -4.934 -2.964 -7.532 1.00 2.09 C ATOM 1422 O LEU A 100 -5.230 -1.932 -6.915 1.00 2.43 O ATOM 1423 CB LEU A 100 -4.220 -2.300 -9.886 1.00 2.99 C ATOM 1424 CG LEU A 100 -3.966 -2.844 -11.308 1.00 4.55 C ATOM 1425 CD1 LEU A 100 -3.013 -4.046 -11.284 1.00 5.67 C ATOM 1426 CD2 LEU A 100 -5.251 -3.218 -12.066 1.00 5.80 C ATOM 0 H LEU A 100 -6.663 -1.691 -9.736 1.00 1.75 H new ATOM 0 HA LEU A 100 -5.161 -4.125 -9.307 1.00 2.08 H new ATOM 0 HB2 LEU A 100 -4.558 -1.267 -9.970 1.00 2.99 H new ATOM 0 HB3 LEU A 100 -3.270 -2.282 -9.352 1.00 2.99 H new ATOM 0 HG LEU A 100 -3.503 -2.020 -11.851 1.00 4.55 H new ATOM 0 HD11 LEU A 100 -2.855 -4.405 -12.301 1.00 5.67 H new ATOM 0 HD12 LEU A 100 -2.058 -3.745 -10.853 1.00 5.67 H new ATOM 0 HD13 LEU A 100 -3.448 -4.843 -10.681 1.00 5.67 H new ATOM 0 HD21 LEU A 100 -4.993 -3.592 -13.057 1.00 5.80 H new ATOM 0 HD22 LEU A 100 -5.787 -3.990 -11.515 1.00 5.80 H new ATOM 0 HD23 LEU A 100 -5.885 -2.337 -12.165 1.00 5.80 H new ATOM 1438 N THR A 101 -4.278 -4.009 -7.012 1.00 2.02 N ATOM 1439 CA THR A 101 -3.729 -4.170 -5.660 1.00 2.42 C ATOM 1440 C THR A 101 -4.855 -4.544 -4.689 1.00 1.17 C ATOM 1441 O THR A 101 -5.992 -4.121 -4.902 1.00 2.77 O ATOM 1442 CB THR A 101 -2.931 -2.938 -5.222 1.00 4.56 C ATOM 1443 OG1 THR A 101 -2.184 -2.438 -6.305 1.00 6.32 O ATOM 1444 CG2 THR A 101 -1.887 -3.198 -4.138 1.00 5.98 C ATOM 0 H THR A 101 -4.102 -4.839 -7.579 1.00 2.02 H new ATOM 0 HA THR A 101 -3.010 -4.990 -5.658 1.00 2.42 H new ATOM 0 HB THR A 101 -3.693 -2.257 -4.842 1.00 4.56 H new ATOM 0 HG1 THR A 101 -2.572 -1.590 -6.607 1.00 6.32 H new ATOM 0 HG21 THR A 101 -1.375 -2.267 -3.895 1.00 5.98 H new ATOM 0 HG22 THR A 101 -2.378 -3.585 -3.245 1.00 5.98 H new ATOM 0 HG23 THR A 101 -1.162 -3.928 -4.499 1.00 5.98 H new ATOM 1452 N LEU A 102 -4.588 -5.333 -3.637 1.00 1.43 N ATOM 1453 CA LEU A 102 -5.545 -5.672 -2.574 1.00 2.87 C ATOM 1454 C LEU A 102 -4.922 -5.813 -1.171 1.00 1.90 C ATOM 1455 O LEU A 102 -5.135 -4.961 -0.308 1.00 1.83 O ATOM 1456 CB LEU A 102 -6.312 -6.955 -2.933 1.00 5.42 C ATOM 1457 CG LEU A 102 -7.203 -6.946 -4.195 1.00 7.23 C ATOM 1458 CD1 LEU A 102 -7.584 -8.380 -4.584 1.00 8.98 C ATOM 1459 CD2 LEU A 102 -8.483 -6.128 -3.964 1.00 8.62 C ATOM 0 H LEU A 102 -3.674 -5.765 -3.499 1.00 1.43 H new ATOM 0 HA LEU A 102 -6.225 -4.822 -2.517 1.00 2.87 H new ATOM 0 HB2 LEU A 102 -5.583 -7.758 -3.046 1.00 5.42 H new ATOM 0 HB3 LEU A 102 -6.942 -7.215 -2.083 1.00 5.42 H new ATOM 0 HG LEU A 102 -6.633 -6.485 -5.001 1.00 7.23 H new ATOM 0 HD11 LEU A 102 -8.212 -8.361 -5.475 1.00 8.98 H new ATOM 0 HD12 LEU A 102 -6.680 -8.954 -4.790 1.00 8.98 H new ATOM 0 HD13 LEU A 102 -8.131 -8.846 -3.765 1.00 8.98 H new ATOM 0 HD21 LEU A 102 -9.090 -6.139 -4.869 1.00 8.62 H new ATOM 0 HD22 LEU A 102 -9.050 -6.564 -3.141 1.00 8.62 H new ATOM 0 HD23 LEU A 102 -8.218 -5.100 -3.718 1.00 8.62 H new ATOM 1471 N GLN A 103 -4.261 -6.938 -0.900 1.00 1.39 N ATOM 1472 CA GLN A 103 -4.132 -7.508 0.456 1.00 1.17 C ATOM 1473 C GLN A 103 -2.902 -8.413 0.601 1.00 1.16 C ATOM 1474 O GLN A 103 -2.309 -8.836 -0.387 1.00 1.22 O ATOM 1475 CB GLN A 103 -5.387 -8.351 0.810 1.00 1.54 C ATOM 1476 CG GLN A 103 -6.660 -7.560 1.210 1.00 2.20 C ATOM 1477 CD GLN A 103 -7.872 -7.692 0.286 1.00 2.17 C ATOM 1478 OE1 GLN A 103 -8.639 -6.762 0.099 1.00 2.17 O ATOM 1479 NE2 GLN A 103 -8.113 -8.840 -0.307 1.00 3.72 N ATOM 0 H GLN A 103 -3.792 -7.491 -1.618 1.00 1.39 H new ATOM 0 HA GLN A 103 -4.026 -6.660 1.133 1.00 1.17 H new ATOM 0 HB2 GLN A 103 -5.630 -8.978 -0.048 1.00 1.54 H new ATOM 0 HB3 GLN A 103 -5.129 -9.020 1.631 1.00 1.54 H new ATOM 0 HG2 GLN A 103 -6.958 -7.878 2.209 1.00 2.20 H new ATOM 0 HG3 GLN A 103 -6.397 -6.504 1.277 1.00 2.20 H new ATOM 0 HE21 GLN A 103 -7.484 -9.630 -0.164 1.00 3.72 H new ATOM 0 HE22 GLN A 103 -8.929 -8.941 -0.910 1.00 3.72 H new ATOM 1488 N ARG A 104 -2.583 -8.830 1.842 1.00 1.35 N ATOM 1489 CA ARG A 104 -1.574 -9.870 2.146 1.00 1.67 C ATOM 1490 C ARG A 104 -1.676 -11.093 1.218 1.00 1.87 C ATOM 1491 O ARG A 104 -0.659 -11.701 0.894 1.00 2.33 O ATOM 1492 CB ARG A 104 -1.736 -10.343 3.605 1.00 1.78 C ATOM 1493 CG ARG A 104 -0.627 -11.307 4.061 1.00 2.64 C ATOM 1494 CD ARG A 104 -0.965 -12.039 5.372 1.00 3.08 C ATOM 1495 NE ARG A 104 -0.329 -13.368 5.378 1.00 3.78 N ATOM 1496 CZ ARG A 104 -0.725 -14.390 4.621 1.00 3.87 C ATOM 1497 NH1 ARG A 104 -1.914 -14.415 4.051 1.00 3.94 N ATOM 1498 NH2 ARG A 104 0.074 -15.421 4.429 1.00 4.95 N ATOM 0 H ARG A 104 -3.026 -8.448 2.678 1.00 1.35 H new ATOM 0 HA ARG A 104 -0.597 -9.413 1.988 1.00 1.67 H new ATOM 0 HB2 ARG A 104 -1.744 -9.474 4.262 1.00 1.78 H new ATOM 0 HB3 ARG A 104 -2.703 -10.835 3.715 1.00 1.78 H new ATOM 0 HG2 ARG A 104 -0.448 -12.043 3.277 1.00 2.64 H new ATOM 0 HG3 ARG A 104 0.300 -10.749 4.192 1.00 2.64 H new ATOM 0 HD2 ARG A 104 -0.618 -11.456 6.225 1.00 3.08 H new ATOM 0 HD3 ARG A 104 -2.045 -12.142 5.474 1.00 3.08 H new ATOM 0 HE ARG A 104 0.465 -13.515 6.001 1.00 3.78 H new ATOM 0 HH11 ARG A 104 -2.560 -13.637 4.184 1.00 3.94 H new ATOM 0 HH12 ARG A 104 -2.188 -15.212 3.477 1.00 3.94 H new ATOM 0 HH21 ARG A 104 0.998 -15.437 4.861 1.00 4.95 H new ATOM 0 HH22 ARG A 104 -0.232 -16.202 3.849 1.00 4.95 H new ATOM 1512 N ASP A 105 -2.891 -11.445 0.798 1.00 1.87 N ATOM 1513 CA ASP A 105 -3.226 -12.477 -0.185 1.00 2.16 C ATOM 1514 C ASP A 105 -2.321 -12.483 -1.443 1.00 2.03 C ATOM 1515 O ASP A 105 -1.941 -13.560 -1.910 1.00 2.47 O ATOM 1516 CB ASP A 105 -4.682 -12.264 -0.626 1.00 2.37 C ATOM 1517 CG ASP A 105 -5.737 -12.413 0.479 1.00 2.89 C ATOM 1518 OD1 ASP A 105 -5.540 -11.809 1.572 1.00 3.98 O ATOM 1519 OD2 ASP A 105 -6.742 -13.113 0.218 1.00 3.36 O ATOM 0 H ASP A 105 -3.726 -10.985 1.161 1.00 1.87 H new ATOM 0 HA ASP A 105 -3.071 -13.439 0.304 1.00 2.16 H new ATOM 0 HB2 ASP A 105 -4.770 -11.266 -1.056 1.00 2.37 H new ATOM 0 HB3 ASP A 105 -4.910 -12.975 -1.420 1.00 2.37 H new ATOM 1524 N GLY A 106 -1.946 -11.302 -1.958 1.00 1.72 N ATOM 1525 CA GLY A 106 -1.074 -11.180 -3.130 1.00 1.77 C ATOM 1526 C GLY A 106 -0.655 -9.766 -3.540 1.00 1.80 C ATOM 1527 O GLY A 106 -0.326 -9.576 -4.709 1.00 2.42 O ATOM 0 H GLY A 106 -2.241 -10.405 -1.571 1.00 1.72 H new ATOM 0 HA2 GLY A 106 -0.170 -11.760 -2.942 1.00 1.77 H new ATOM 0 HA3 GLY A 106 -1.579 -11.643 -3.978 1.00 1.77 H new ATOM 1531 N ASP A 107 -0.641 -8.779 -2.635 1.00 1.82 N ATOM 1532 CA ASP A 107 -0.388 -7.358 -2.933 1.00 2.39 C ATOM 1533 C ASP A 107 -0.232 -6.502 -1.654 1.00 1.83 C ATOM 1534 O ASP A 107 -1.195 -6.235 -0.935 1.00 2.01 O ATOM 1535 CB ASP A 107 -1.456 -6.730 -3.869 1.00 3.69 C ATOM 1536 CG ASP A 107 -2.676 -7.567 -4.273 1.00 5.26 C ATOM 1537 OD1 ASP A 107 -3.295 -8.205 -3.396 1.00 6.17 O ATOM 1538 OD2 ASP A 107 -3.103 -7.417 -5.438 1.00 6.21 O ATOM 0 H ASP A 107 -0.810 -8.950 -1.644 1.00 1.82 H new ATOM 0 HA ASP A 107 0.562 -7.350 -3.467 1.00 2.39 H new ATOM 0 HB2 ASP A 107 -1.824 -5.824 -3.387 1.00 3.69 H new ATOM 0 HB3 ASP A 107 -0.951 -6.422 -4.784 1.00 3.69 H new ATOM 1543 N HIS A 108 0.975 -6.001 -1.368 1.00 1.61 N ATOM 1544 CA HIS A 108 1.256 -5.255 -0.138 1.00 1.30 C ATOM 1545 C HIS A 108 2.535 -4.401 -0.225 1.00 1.23 C ATOM 1546 O HIS A 108 3.450 -4.722 -0.989 1.00 1.38 O ATOM 1547 CB HIS A 108 1.327 -6.231 1.064 1.00 1.36 C ATOM 1548 CG HIS A 108 2.544 -7.143 1.126 1.00 1.69 C ATOM 1549 ND1 HIS A 108 3.868 -6.762 1.054 1.00 2.61 N ATOM 1550 CD2 HIS A 108 2.542 -8.495 1.357 1.00 2.28 C ATOM 1551 CE1 HIS A 108 4.632 -7.851 1.234 1.00 2.99 C ATOM 1552 NE2 HIS A 108 3.869 -8.939 1.434 1.00 2.81 N ATOM 0 H HIS A 108 1.783 -6.102 -1.982 1.00 1.61 H new ATOM 0 HA HIS A 108 0.434 -4.554 0.006 1.00 1.30 H new ATOM 0 HB2 HIS A 108 1.293 -5.645 1.982 1.00 1.36 H new ATOM 0 HB3 HIS A 108 0.433 -6.855 1.050 1.00 1.36 H new ATOM 0 HD2 HIS A 108 1.664 -9.115 1.462 1.00 2.28 H new ATOM 0 HE1 HIS A 108 5.712 -7.853 1.220 1.00 2.99 H new ATOM 0 HE2 HIS A 108 4.190 -9.892 1.606 1.00 2.81 H new ATOM 1560 N VAL A 109 2.680 -3.406 0.658 1.00 1.16 N ATOM 1561 CA VAL A 109 4.004 -2.844 1.009 1.00 1.02 C ATOM 1562 C VAL A 109 4.400 -3.227 2.438 1.00 0.98 C ATOM 1563 O VAL A 109 3.668 -2.975 3.391 1.00 1.29 O ATOM 1564 CB VAL A 109 4.122 -1.328 0.711 1.00 1.14 C ATOM 1565 CG1 VAL A 109 3.142 -0.472 1.523 1.00 2.22 C ATOM 1566 CG2 VAL A 109 5.556 -0.817 0.944 1.00 2.08 C ATOM 0 H VAL A 109 1.899 -2.968 1.147 1.00 1.16 H new ATOM 0 HA VAL A 109 4.739 -3.302 0.347 1.00 1.02 H new ATOM 0 HB VAL A 109 3.861 -1.221 -0.342 1.00 1.14 H new ATOM 0 HG11 VAL A 109 3.277 0.579 1.266 1.00 2.22 H new ATOM 0 HG12 VAL A 109 2.120 -0.773 1.294 1.00 2.22 H new ATOM 0 HG13 VAL A 109 3.331 -0.613 2.587 1.00 2.22 H new ATOM 0 HG21 VAL A 109 5.602 0.250 0.725 1.00 2.08 H new ATOM 0 HG22 VAL A 109 5.839 -0.987 1.983 1.00 2.08 H new ATOM 0 HG23 VAL A 109 6.244 -1.352 0.289 1.00 2.08 H new ATOM 1576 N MET A 110 5.567 -3.864 2.570 1.00 0.77 N ATOM 1577 CA MET A 110 6.189 -4.246 3.834 1.00 0.76 C ATOM 1578 C MET A 110 7.054 -3.095 4.342 1.00 0.71 C ATOM 1579 O MET A 110 7.910 -2.562 3.633 1.00 0.81 O ATOM 1580 CB MET A 110 6.971 -5.557 3.651 1.00 0.93 C ATOM 1581 CG MET A 110 7.777 -5.980 4.884 1.00 2.09 C ATOM 1582 SD MET A 110 8.500 -7.632 4.709 1.00 2.40 S ATOM 1583 CE MET A 110 9.898 -7.488 5.852 1.00 3.60 C ATOM 0 H MET A 110 6.126 -4.138 1.762 1.00 0.77 H new ATOM 0 HA MET A 110 5.432 -4.436 4.595 1.00 0.76 H new ATOM 0 HB2 MET A 110 6.271 -6.353 3.397 1.00 0.93 H new ATOM 0 HB3 MET A 110 7.650 -5.448 2.806 1.00 0.93 H new ATOM 0 HG2 MET A 110 8.572 -5.256 5.060 1.00 2.09 H new ATOM 0 HG3 MET A 110 7.130 -5.962 5.761 1.00 2.09 H new ATOM 0 HE1 MET A 110 10.247 -8.483 6.127 1.00 3.60 H new ATOM 0 HE2 MET A 110 10.708 -6.940 5.369 1.00 3.60 H new ATOM 0 HE3 MET A 110 9.582 -6.953 6.748 1.00 3.60 H new ATOM 1593 N LEU A 111 6.817 -2.708 5.594 1.00 0.68 N ATOM 1594 CA LEU A 111 7.449 -1.564 6.240 1.00 0.73 C ATOM 1595 C LEU A 111 8.712 -2.040 6.984 1.00 0.79 C ATOM 1596 O LEU A 111 8.793 -1.965 8.212 1.00 1.08 O ATOM 1597 CB LEU A 111 6.404 -0.848 7.127 1.00 0.78 C ATOM 1598 CG LEU A 111 4.984 -0.654 6.539 1.00 1.23 C ATOM 1599 CD1 LEU A 111 4.142 0.204 7.495 1.00 2.37 C ATOM 1600 CD2 LEU A 111 4.942 0.003 5.151 1.00 2.00 C ATOM 0 H LEU A 111 6.161 -3.197 6.203 1.00 0.68 H new ATOM 0 HA LEU A 111 7.790 -0.822 5.518 1.00 0.73 H new ATOM 0 HB2 LEU A 111 6.310 -1.409 8.057 1.00 0.78 H new ATOM 0 HB3 LEU A 111 6.799 0.134 7.386 1.00 0.78 H new ATOM 0 HG LEU A 111 4.585 -1.662 6.424 1.00 1.23 H new ATOM 0 HD11 LEU A 111 3.144 0.339 7.079 1.00 2.37 H new ATOM 0 HD12 LEU A 111 4.068 -0.294 8.462 1.00 2.37 H new ATOM 0 HD13 LEU A 111 4.616 1.177 7.624 1.00 2.37 H new ATOM 0 HD21 LEU A 111 3.906 0.096 4.824 1.00 2.00 H new ATOM 0 HD22 LEU A 111 5.397 0.992 5.203 1.00 2.00 H new ATOM 0 HD23 LEU A 111 5.493 -0.613 4.440 1.00 2.00 H new ATOM 1612 N MET A 112 9.675 -2.592 6.238 1.00 0.71 N ATOM 1613 CA MET A 112 10.816 -3.353 6.766 1.00 0.78 C ATOM 1614 C MET A 112 11.688 -2.505 7.708 1.00 0.76 C ATOM 1615 O MET A 112 12.228 -1.456 7.340 1.00 0.81 O ATOM 1616 CB MET A 112 11.623 -3.925 5.594 1.00 1.04 C ATOM 1617 CG MET A 112 12.770 -4.833 6.036 1.00 1.35 C ATOM 1618 SD MET A 112 13.684 -5.520 4.634 1.00 2.03 S ATOM 1619 CE MET A 112 15.090 -6.202 5.545 1.00 2.47 C ATOM 0 H MET A 112 9.684 -2.520 5.221 1.00 0.71 H new ATOM 0 HA MET A 112 10.441 -4.178 7.372 1.00 0.78 H new ATOM 0 HB2 MET A 112 10.955 -4.487 4.942 1.00 1.04 H new ATOM 0 HB3 MET A 112 12.027 -3.102 5.004 1.00 1.04 H new ATOM 0 HG2 MET A 112 13.453 -4.268 6.670 1.00 1.35 H new ATOM 0 HG3 MET A 112 12.373 -5.648 6.642 1.00 1.35 H new ATOM 0 HE1 MET A 112 15.780 -6.677 4.847 1.00 2.47 H new ATOM 0 HE2 MET A 112 15.604 -5.400 6.075 1.00 2.47 H new ATOM 0 HE3 MET A 112 14.734 -6.941 6.263 1.00 2.47 H new ATOM 1629 N GLY A 113 11.798 -2.968 8.958 1.00 0.91 N ATOM 1630 CA GLY A 113 12.511 -2.298 10.057 1.00 1.14 C ATOM 1631 C GLY A 113 11.657 -1.341 10.903 1.00 1.44 C ATOM 1632 O GLY A 113 12.232 -0.659 11.748 1.00 2.28 O ATOM 0 H GLY A 113 11.378 -3.852 9.245 1.00 0.91 H new ATOM 0 HA2 GLY A 113 12.933 -3.060 10.713 1.00 1.14 H new ATOM 0 HA3 GLY A 113 13.348 -1.739 9.638 1.00 1.14 H new ATOM 1636 N LEU A 114 10.335 -1.269 10.700 1.00 1.32 N ATOM 1637 CA LEU A 114 9.297 -0.577 11.490 1.00 1.68 C ATOM 1638 C LEU A 114 9.372 0.963 11.493 1.00 2.30 C ATOM 1639 O LEU A 114 8.472 1.621 10.985 1.00 4.45 O ATOM 1640 CB LEU A 114 9.136 -1.238 12.893 1.00 1.95 C ATOM 1641 CG LEU A 114 9.992 -0.752 14.097 1.00 3.42 C ATOM 1642 CD1 LEU A 114 9.193 0.261 14.935 1.00 4.70 C ATOM 1643 CD2 LEU A 114 10.422 -1.856 15.071 1.00 4.81 C ATOM 0 H LEU A 114 9.919 -1.741 9.897 1.00 1.32 H new ATOM 0 HA LEU A 114 8.358 -0.731 10.959 1.00 1.68 H new ATOM 0 HB2 LEU A 114 8.089 -1.134 13.179 1.00 1.95 H new ATOM 0 HB3 LEU A 114 9.329 -2.304 12.771 1.00 1.95 H new ATOM 0 HG LEU A 114 10.886 -0.329 13.638 1.00 3.42 H new ATOM 0 HD11 LEU A 114 9.800 0.596 15.776 1.00 4.70 H new ATOM 0 HD12 LEU A 114 8.928 1.117 14.315 1.00 4.70 H new ATOM 0 HD13 LEU A 114 8.285 -0.212 15.309 1.00 4.70 H new ATOM 0 HD21 LEU A 114 11.014 -1.421 15.876 1.00 4.81 H new ATOM 0 HD22 LEU A 114 9.538 -2.337 15.490 1.00 4.81 H new ATOM 0 HD23 LEU A 114 11.020 -2.597 14.540 1.00 4.81 H new ATOM 1655 N LYS A 115 10.423 1.518 12.104 1.00 1.40 N ATOM 1656 CA LYS A 115 10.523 2.825 12.785 1.00 2.08 C ATOM 1657 C LYS A 115 9.311 3.789 12.805 1.00 3.20 C ATOM 1658 O LYS A 115 9.431 4.987 12.572 1.00 4.94 O ATOM 1659 CB LYS A 115 11.867 3.465 12.438 1.00 2.02 C ATOM 1660 CG LYS A 115 13.032 2.567 12.895 1.00 2.69 C ATOM 1661 CD LYS A 115 13.859 2.048 11.719 1.00 3.76 C ATOM 1662 CE LYS A 115 15.033 1.186 12.195 1.00 4.92 C ATOM 1663 NZ LYS A 115 14.645 0.030 13.036 1.00 6.70 N ATOM 0 H LYS A 115 11.313 1.021 12.141 1.00 1.40 H new ATOM 0 HA LYS A 115 10.477 2.579 13.846 1.00 2.08 H new ATOM 0 HB2 LYS A 115 11.929 3.631 11.363 1.00 2.02 H new ATOM 0 HB3 LYS A 115 11.945 4.441 12.916 1.00 2.02 H new ATOM 0 HG2 LYS A 115 13.677 3.128 13.571 1.00 2.69 H new ATOM 0 HG3 LYS A 115 12.637 1.722 13.460 1.00 2.69 H new ATOM 0 HD2 LYS A 115 13.222 1.463 11.055 1.00 3.76 H new ATOM 0 HD3 LYS A 115 14.236 2.890 11.139 1.00 3.76 H new ATOM 0 HE2 LYS A 115 15.575 0.819 11.323 1.00 4.92 H new ATOM 0 HE3 LYS A 115 15.723 1.814 12.759 1.00 4.92 H new ATOM 0 HZ1 LYS A 115 15.381 -0.702 12.981 1.00 6.70 H new ATOM 0 HZ2 LYS A 115 14.538 0.339 14.023 1.00 6.70 H new ATOM 0 HZ3 LYS A 115 13.743 -0.360 12.696 1.00 6.70 H new ATOM 1677 N ARG A 116 8.153 3.270 13.212 1.00 2.46 N ATOM 1678 CA ARG A 116 7.003 4.004 13.736 1.00 3.03 C ATOM 1679 C ARG A 116 6.253 3.067 14.698 1.00 1.91 C ATOM 1680 O ARG A 116 5.647 2.107 14.224 1.00 1.51 O ATOM 1681 CB ARG A 116 6.127 4.503 12.569 1.00 4.21 C ATOM 1682 CG ARG A 116 4.769 5.087 12.993 1.00 5.24 C ATOM 1683 CD ARG A 116 4.832 6.263 13.982 1.00 4.76 C ATOM 1684 NE ARG A 116 3.528 6.449 14.631 1.00 5.92 N ATOM 1685 CZ ARG A 116 2.466 7.039 14.107 1.00 7.42 C ATOM 1686 NH1 ARG A 116 2.524 7.793 13.029 1.00 7.99 N ATOM 1687 NH2 ARG A 116 1.293 6.861 14.656 1.00 8.81 N ATOM 0 H ARG A 116 7.983 2.265 13.183 1.00 2.46 H new ATOM 0 HA ARG A 116 7.306 4.893 14.289 1.00 3.03 H new ATOM 0 HB2 ARG A 116 6.679 5.264 12.017 1.00 4.21 H new ATOM 0 HB3 ARG A 116 5.953 3.675 11.882 1.00 4.21 H new ATOM 0 HG2 ARG A 116 4.240 5.416 12.099 1.00 5.24 H new ATOM 0 HG3 ARG A 116 4.175 4.290 13.441 1.00 5.24 H new ATOM 0 HD2 ARG A 116 5.598 6.074 14.735 1.00 4.76 H new ATOM 0 HD3 ARG A 116 5.119 7.174 13.457 1.00 4.76 H new ATOM 0 HE ARG A 116 3.431 6.088 15.580 1.00 5.92 H new ATOM 0 HH11 ARG A 116 3.417 7.944 12.559 1.00 7.99 H new ATOM 0 HH12 ARG A 116 1.676 8.226 12.664 1.00 7.99 H new ATOM 0 HH21 ARG A 116 1.201 6.271 15.483 1.00 8.81 H new ATOM 0 HH22 ARG A 116 0.470 7.313 14.258 1.00 8.81 H new ATOM 1701 N PRO A 117 6.290 3.307 16.026 1.00 2.15 N ATOM 1702 CA PRO A 117 5.444 2.587 16.974 1.00 1.98 C ATOM 1703 C PRO A 117 3.992 2.974 16.706 1.00 1.61 C ATOM 1704 O PRO A 117 3.718 4.105 16.298 1.00 2.15 O ATOM 1705 CB PRO A 117 5.922 3.003 18.367 1.00 3.32 C ATOM 1706 CG PRO A 117 6.471 4.412 18.133 1.00 4.00 C ATOM 1707 CD PRO A 117 7.073 4.320 16.732 1.00 3.37 C ATOM 0 HA PRO A 117 5.507 1.503 16.883 1.00 1.98 H new ATOM 0 HB2 PRO A 117 5.107 3.002 19.091 1.00 3.32 H new ATOM 0 HB3 PRO A 117 6.689 2.329 18.749 1.00 3.32 H new ATOM 0 HG2 PRO A 117 5.685 5.165 18.185 1.00 4.00 H new ATOM 0 HG3 PRO A 117 7.221 4.682 18.877 1.00 4.00 H new ATOM 0 HD2 PRO A 117 7.021 5.281 16.220 1.00 3.37 H new ATOM 0 HD3 PRO A 117 8.125 4.040 16.777 1.00 3.37 H new ATOM 1715 N LEU A 118 3.059 2.034 16.893 1.00 1.33 N ATOM 1716 CA LEU A 118 1.693 2.173 16.398 1.00 1.00 C ATOM 1717 C LEU A 118 0.685 1.327 17.176 1.00 1.11 C ATOM 1718 O LEU A 118 1.034 0.387 17.895 1.00 1.80 O ATOM 1719 CB LEU A 118 1.611 2.017 14.864 1.00 1.09 C ATOM 1720 CG LEU A 118 2.444 0.876 14.264 1.00 2.29 C ATOM 1721 CD1 LEU A 118 1.881 -0.520 14.565 1.00 3.96 C ATOM 1722 CD2 LEU A 118 2.601 1.044 12.745 1.00 3.48 C ATOM 0 H LEU A 118 3.233 1.160 17.390 1.00 1.33 H new ATOM 0 HA LEU A 118 1.387 3.200 16.597 1.00 1.00 H new ATOM 0 HB2 LEU A 118 0.568 1.864 14.588 1.00 1.09 H new ATOM 0 HB3 LEU A 118 1.928 2.953 14.405 1.00 1.09 H new ATOM 0 HG LEU A 118 3.418 0.944 14.749 1.00 2.29 H new ATOM 0 HD11 LEU A 118 2.521 -1.276 14.110 1.00 3.96 H new ATOM 0 HD12 LEU A 118 1.848 -0.674 15.644 1.00 3.96 H new ATOM 0 HD13 LEU A 118 0.874 -0.602 14.155 1.00 3.96 H new ATOM 0 HD21 LEU A 118 3.195 0.221 12.347 1.00 3.48 H new ATOM 0 HD22 LEU A 118 1.618 1.041 12.275 1.00 3.48 H new ATOM 0 HD23 LEU A 118 3.102 1.989 12.533 1.00 3.48 H new ATOM 1734 N LYS A 119 -0.581 1.707 17.013 1.00 0.96 N ATOM 1735 CA LYS A 119 -1.727 1.150 17.727 1.00 0.95 C ATOM 1736 C LYS A 119 -2.885 0.826 16.751 1.00 0.90 C ATOM 1737 O LYS A 119 -3.101 1.604 15.823 1.00 1.06 O ATOM 1738 CB LYS A 119 -2.138 2.167 18.813 1.00 1.31 C ATOM 1739 CG LYS A 119 -2.946 1.574 19.974 1.00 1.76 C ATOM 1740 CD LYS A 119 -2.045 0.840 20.980 1.00 2.54 C ATOM 1741 CE LYS A 119 -2.870 -0.045 21.926 1.00 3.95 C ATOM 1742 NZ LYS A 119 -2.171 -1.310 22.262 1.00 5.19 N ATOM 0 H LYS A 119 -0.846 2.439 16.355 1.00 0.96 H new ATOM 0 HA LYS A 119 -1.466 0.203 18.200 1.00 0.95 H new ATOM 0 HB2 LYS A 119 -1.238 2.632 19.215 1.00 1.31 H new ATOM 0 HB3 LYS A 119 -2.725 2.958 18.347 1.00 1.31 H new ATOM 0 HG2 LYS A 119 -3.487 2.371 20.485 1.00 1.76 H new ATOM 0 HG3 LYS A 119 -3.692 0.882 19.582 1.00 1.76 H new ATOM 0 HD2 LYS A 119 -1.321 0.226 20.443 1.00 2.54 H new ATOM 0 HD3 LYS A 119 -1.478 1.567 21.561 1.00 2.54 H new ATOM 0 HE2 LYS A 119 -3.082 0.505 22.843 1.00 3.95 H new ATOM 0 HE3 LYS A 119 -3.829 -0.274 21.462 1.00 3.95 H new ATOM 0 HZ1 LYS A 119 -2.765 -1.875 22.902 1.00 5.19 H new ATOM 0 HZ2 LYS A 119 -1.991 -1.849 21.391 1.00 5.19 H new ATOM 0 HZ3 LYS A 119 -1.267 -1.094 22.729 1.00 5.19 H new ATOM 1756 N VAL A 120 -3.660 -0.244 16.990 1.00 1.10 N ATOM 1757 CA VAL A 120 -4.809 -0.732 16.189 1.00 1.33 C ATOM 1758 C VAL A 120 -5.919 0.276 15.773 1.00 1.57 C ATOM 1759 O VAL A 120 -6.913 -0.122 15.167 1.00 2.22 O ATOM 1760 CB VAL A 120 -5.374 -2.010 16.854 1.00 1.65 C ATOM 1761 CG1 VAL A 120 -6.348 -1.707 18.002 1.00 1.80 C ATOM 1762 CG2 VAL A 120 -5.987 -3.007 15.859 1.00 2.75 C ATOM 0 H VAL A 120 -3.494 -0.837 17.803 1.00 1.10 H new ATOM 0 HA VAL A 120 -4.384 -0.943 15.207 1.00 1.33 H new ATOM 0 HB VAL A 120 -4.501 -2.499 17.285 1.00 1.65 H new ATOM 0 HG11 VAL A 120 -6.710 -2.642 18.428 1.00 1.80 H new ATOM 0 HG12 VAL A 120 -5.835 -1.132 18.773 1.00 1.80 H new ATOM 0 HG13 VAL A 120 -7.191 -1.131 17.621 1.00 1.80 H new ATOM 0 HG21 VAL A 120 -6.361 -3.877 16.399 1.00 2.75 H new ATOM 0 HG22 VAL A 120 -6.809 -2.530 15.325 1.00 2.75 H new ATOM 0 HG23 VAL A 120 -5.226 -3.323 15.145 1.00 2.75 H new ATOM 1772 N GLY A 121 -5.790 1.569 16.110 1.00 1.35 N ATOM 1773 CA GLY A 121 -6.707 2.652 15.723 1.00 1.63 C ATOM 1774 C GLY A 121 -6.006 3.988 15.555 1.00 1.58 C ATOM 1775 O GLY A 121 -6.556 5.004 15.950 1.00 1.78 O ATOM 0 H GLY A 121 -5.014 1.901 16.682 1.00 1.35 H new ATOM 0 HA2 GLY A 121 -7.201 2.386 14.788 1.00 1.63 H new ATOM 0 HA3 GLY A 121 -7.486 2.749 16.479 1.00 1.63 H new ATOM 1779 N GLU A 122 -4.803 4.022 15.017 1.00 1.49 N ATOM 1780 CA GLU A 122 -3.993 5.254 14.924 1.00 1.44 C ATOM 1781 C GLU A 122 -3.576 5.567 13.471 1.00 1.33 C ATOM 1782 O GLU A 122 -3.626 4.710 12.584 1.00 1.35 O ATOM 1783 CB GLU A 122 -2.764 5.002 15.829 1.00 1.40 C ATOM 1784 CG GLU A 122 -1.967 6.257 16.127 1.00 1.54 C ATOM 1785 CD GLU A 122 -1.034 6.105 17.310 1.00 1.61 C ATOM 1786 OE1 GLU A 122 -1.469 6.137 18.484 1.00 2.61 O ATOM 1787 OE2 GLU A 122 0.176 6.072 17.041 1.00 2.01 O ATOM 0 H GLU A 122 -4.344 3.200 14.626 1.00 1.49 H new ATOM 0 HA GLU A 122 -4.561 6.127 15.246 1.00 1.44 H new ATOM 0 HB2 GLU A 122 -3.098 4.561 16.768 1.00 1.40 H new ATOM 0 HB3 GLU A 122 -2.112 4.272 15.349 1.00 1.40 H new ATOM 0 HG2 GLU A 122 -1.385 6.528 15.246 1.00 1.54 H new ATOM 0 HG3 GLU A 122 -2.656 7.080 16.319 1.00 1.54 H new ATOM 1794 N THR A 123 -3.162 6.803 13.192 1.00 1.40 N ATOM 1795 CA THR A 123 -2.782 7.275 11.848 1.00 1.56 C ATOM 1796 C THR A 123 -1.256 7.324 11.715 1.00 1.23 C ATOM 1797 O THR A 123 -0.530 7.654 12.655 1.00 1.26 O ATOM 1798 CB THR A 123 -3.423 8.640 11.541 1.00 2.08 C ATOM 1799 OG1 THR A 123 -3.331 9.506 12.655 1.00 2.57 O ATOM 1800 CG2 THR A 123 -4.908 8.474 11.219 1.00 3.32 C ATOM 0 H THR A 123 -3.077 7.526 13.907 1.00 1.40 H new ATOM 0 HA THR A 123 -3.161 6.568 11.110 1.00 1.56 H new ATOM 0 HB THR A 123 -2.886 9.060 10.690 1.00 2.08 H new ATOM 0 HG1 THR A 123 -3.744 10.367 12.435 1.00 2.57 H new ATOM 0 HG21 THR A 123 -5.345 9.449 11.005 1.00 3.32 H new ATOM 0 HG22 THR A 123 -5.022 7.826 10.350 1.00 3.32 H new ATOM 0 HG23 THR A 123 -5.418 8.028 12.073 1.00 3.32 H new ATOM 1808 N VAL A 124 -0.771 6.979 10.530 1.00 1.11 N ATOM 1809 CA VAL A 124 0.649 6.831 10.180 1.00 1.00 C ATOM 1810 C VAL A 124 0.972 7.637 8.925 1.00 0.91 C ATOM 1811 O VAL A 124 0.199 7.652 7.972 1.00 1.12 O ATOM 1812 CB VAL A 124 1.036 5.338 10.021 1.00 1.22 C ATOM 1813 CG1 VAL A 124 2.392 5.119 9.317 1.00 2.23 C ATOM 1814 CG2 VAL A 124 1.134 4.693 11.414 1.00 2.42 C ATOM 0 H VAL A 124 -1.385 6.783 9.739 1.00 1.11 H new ATOM 0 HA VAL A 124 1.250 7.229 10.998 1.00 1.00 H new ATOM 0 HB VAL A 124 0.260 4.888 9.402 1.00 1.22 H new ATOM 0 HG11 VAL A 124 2.595 4.051 9.242 1.00 2.23 H new ATOM 0 HG12 VAL A 124 2.357 5.553 8.318 1.00 2.23 H new ATOM 0 HG13 VAL A 124 3.183 5.599 9.893 1.00 2.23 H new ATOM 0 HG21 VAL A 124 1.406 3.643 11.310 1.00 2.42 H new ATOM 0 HG22 VAL A 124 1.894 5.208 12.001 1.00 2.42 H new ATOM 0 HG23 VAL A 124 0.171 4.770 11.919 1.00 2.42 H new ATOM 1824 N ASN A 125 2.106 8.340 8.944 1.00 0.87 N ATOM 1825 CA ASN A 125 2.530 9.241 7.878 1.00 0.92 C ATOM 1826 C ASN A 125 3.081 8.423 6.692 1.00 0.92 C ATOM 1827 O ASN A 125 4.059 7.689 6.839 1.00 1.07 O ATOM 1828 CB ASN A 125 3.555 10.239 8.448 1.00 1.18 C ATOM 1829 CG ASN A 125 3.182 10.720 9.845 1.00 1.68 C ATOM 1830 OD1 ASN A 125 3.533 10.097 10.840 1.00 3.12 O ATOM 1831 ND2 ASN A 125 2.417 11.780 9.964 1.00 1.41 N ATOM 0 H ASN A 125 2.767 8.296 9.719 1.00 0.87 H new ATOM 0 HA ASN A 125 1.687 9.817 7.496 1.00 0.92 H new ATOM 0 HB2 ASN A 125 4.538 9.769 8.479 1.00 1.18 H new ATOM 0 HB3 ASN A 125 3.633 11.097 7.780 1.00 1.18 H new ATOM 0 HD21 ASN A 125 2.112 12.088 10.887 1.00 1.41 H new ATOM 0 HD22 ASN A 125 2.127 12.296 9.133 1.00 1.41 H new ATOM 1838 N ILE A 126 2.473 8.539 5.504 1.00 0.92 N ATOM 1839 CA ILE A 126 2.833 7.740 4.323 1.00 1.00 C ATOM 1840 C ILE A 126 2.936 8.608 3.058 1.00 0.89 C ATOM 1841 O ILE A 126 2.493 9.760 3.028 1.00 0.95 O ATOM 1842 CB ILE A 126 1.849 6.546 4.181 1.00 1.20 C ATOM 1843 CG1 ILE A 126 2.510 5.367 3.431 1.00 1.71 C ATOM 1844 CG2 ILE A 126 0.510 6.979 3.547 1.00 1.37 C ATOM 1845 CD1 ILE A 126 1.740 4.048 3.537 1.00 2.03 C ATOM 0 H ILE A 126 1.711 9.195 5.333 1.00 0.92 H new ATOM 0 HA ILE A 126 3.831 7.323 4.460 1.00 1.00 H new ATOM 0 HB ILE A 126 1.608 6.190 5.183 1.00 1.20 H new ATOM 0 HG12 ILE A 126 2.613 5.632 2.379 1.00 1.71 H new ATOM 0 HG13 ILE A 126 3.517 5.220 3.822 1.00 1.71 H new ATOM 0 HG21 ILE A 126 -0.150 6.115 3.465 1.00 1.37 H new ATOM 0 HG22 ILE A 126 0.039 7.737 4.173 1.00 1.37 H new ATOM 0 HG23 ILE A 126 0.694 7.391 2.555 1.00 1.37 H new ATOM 0 HD11 ILE A 126 2.270 3.272 2.984 1.00 2.03 H new ATOM 0 HD12 ILE A 126 1.660 3.757 4.584 1.00 2.03 H new ATOM 0 HD13 ILE A 126 0.742 4.175 3.118 1.00 2.03 H new ATOM 1857 N THR A 127 3.536 8.043 2.011 1.00 0.83 N ATOM 1858 CA THR A 127 3.867 8.763 0.776 1.00 0.82 C ATOM 1859 C THR A 127 3.211 8.069 -0.412 1.00 0.75 C ATOM 1860 O THR A 127 3.436 6.873 -0.571 1.00 1.00 O ATOM 1861 CB THR A 127 5.399 8.845 0.596 1.00 0.95 C ATOM 1862 OG1 THR A 127 6.092 8.543 1.798 1.00 1.58 O ATOM 1863 CG2 THR A 127 5.798 10.256 0.182 1.00 1.31 C ATOM 0 H THR A 127 3.810 7.061 1.994 1.00 0.83 H new ATOM 0 HA THR A 127 3.484 9.782 0.838 1.00 0.82 H new ATOM 0 HB THR A 127 5.666 8.115 -0.168 1.00 0.95 H new ATOM 0 HG1 THR A 127 5.991 7.590 2.003 1.00 1.58 H new ATOM 0 HG21 THR A 127 6.880 10.306 0.057 1.00 1.31 H new ATOM 0 HG22 THR A 127 5.312 10.510 -0.760 1.00 1.31 H new ATOM 0 HG23 THR A 127 5.489 10.962 0.952 1.00 1.31 H new ATOM 1871 N LEU A 128 2.417 8.765 -1.236 1.00 0.66 N ATOM 1872 CA LEU A 128 1.887 8.235 -2.496 1.00 0.73 C ATOM 1873 C LEU A 128 2.089 9.285 -3.584 1.00 1.01 C ATOM 1874 O LEU A 128 1.336 10.249 -3.650 1.00 1.89 O ATOM 1875 CB LEU A 128 0.382 7.893 -2.388 1.00 0.95 C ATOM 1876 CG LEU A 128 0.045 6.663 -1.527 1.00 1.91 C ATOM 1877 CD1 LEU A 128 -0.147 6.989 -0.044 1.00 3.07 C ATOM 1878 CD2 LEU A 128 -1.237 5.994 -2.042 1.00 2.38 C ATOM 0 H LEU A 128 2.122 9.722 -1.043 1.00 0.66 H new ATOM 0 HA LEU A 128 2.419 7.314 -2.736 1.00 0.73 H new ATOM 0 HB2 LEU A 128 -0.141 8.757 -1.978 1.00 0.95 H new ATOM 0 HB3 LEU A 128 -0.009 7.731 -3.392 1.00 0.95 H new ATOM 0 HG LEU A 128 0.903 5.996 -1.613 1.00 1.91 H new ATOM 0 HD11 LEU A 128 -0.382 6.075 0.502 1.00 3.07 H new ATOM 0 HD12 LEU A 128 0.769 7.424 0.354 1.00 3.07 H new ATOM 0 HD13 LEU A 128 -0.965 7.700 0.069 1.00 3.07 H new ATOM 0 HD21 LEU A 128 -1.467 5.125 -1.426 1.00 2.38 H new ATOM 0 HD22 LEU A 128 -2.063 6.703 -1.991 1.00 2.38 H new ATOM 0 HD23 LEU A 128 -1.093 5.678 -3.075 1.00 2.38 H new ATOM 1890 N LYS A 129 3.067 9.133 -4.472 1.00 1.01 N ATOM 1891 CA LYS A 129 3.220 10.073 -5.589 1.00 1.20 C ATOM 1892 C LYS A 129 2.505 9.536 -6.840 1.00 1.08 C ATOM 1893 O LYS A 129 2.951 8.579 -7.480 1.00 1.21 O ATOM 1894 CB LYS A 129 4.719 10.355 -5.794 1.00 1.66 C ATOM 1895 CG LYS A 129 4.985 11.657 -6.578 1.00 2.52 C ATOM 1896 CD LYS A 129 6.300 12.336 -6.159 1.00 3.17 C ATOM 1897 CE LYS A 129 7.552 11.513 -6.496 1.00 3.00 C ATOM 1898 NZ LYS A 129 8.727 11.996 -5.736 1.00 3.72 N ATOM 0 H LYS A 129 3.757 8.383 -4.446 1.00 1.01 H new ATOM 0 HA LYS A 129 2.741 11.027 -5.369 1.00 1.20 H new ATOM 0 HB2 LYS A 129 5.208 10.416 -4.822 1.00 1.66 H new ATOM 0 HB3 LYS A 129 5.171 9.518 -6.326 1.00 1.66 H new ATOM 0 HG2 LYS A 129 5.018 11.435 -7.645 1.00 2.52 H new ATOM 0 HG3 LYS A 129 4.157 12.348 -6.421 1.00 2.52 H new ATOM 0 HD2 LYS A 129 6.370 13.307 -6.650 1.00 3.17 H new ATOM 0 HD3 LYS A 129 6.277 12.523 -5.085 1.00 3.17 H new ATOM 0 HE2 LYS A 129 7.373 10.463 -6.267 1.00 3.00 H new ATOM 0 HE3 LYS A 129 7.755 11.576 -7.565 1.00 3.00 H new ATOM 0 HZ1 LYS A 129 9.559 11.423 -5.982 1.00 3.72 H new ATOM 0 HZ2 LYS A 129 8.909 12.992 -5.975 1.00 3.72 H new ATOM 0 HZ3 LYS A 129 8.539 11.913 -4.716 1.00 3.72 H new ATOM 1912 N ALA A 130 1.383 10.151 -7.227 1.00 1.52 N ATOM 1913 CA ALA A 130 0.799 9.940 -8.553 1.00 1.60 C ATOM 1914 C ALA A 130 1.722 10.557 -9.624 1.00 1.92 C ATOM 1915 O ALA A 130 1.990 11.762 -9.551 1.00 2.75 O ATOM 1916 CB ALA A 130 -0.619 10.522 -8.584 1.00 2.23 C ATOM 0 H ALA A 130 0.861 10.800 -6.638 1.00 1.52 H new ATOM 0 HA ALA A 130 0.716 8.876 -8.773 1.00 1.60 H new ATOM 0 HB1 ALA A 130 -1.055 10.366 -9.571 1.00 2.23 H new ATOM 0 HB2 ALA A 130 -1.233 10.025 -7.833 1.00 2.23 H new ATOM 0 HB3 ALA A 130 -0.579 11.590 -8.370 1.00 2.23 H new ATOM 1922 N THR A 131 2.206 9.730 -10.572 1.00 1.67 N ATOM 1923 CA THR A 131 3.273 10.088 -11.530 1.00 2.14 C ATOM 1924 C THR A 131 3.005 11.402 -12.254 1.00 2.55 C ATOM 1925 O THR A 131 3.835 12.304 -12.195 1.00 3.55 O ATOM 1926 CB THR A 131 3.547 8.965 -12.550 1.00 2.19 C ATOM 1927 OG1 THR A 131 2.414 8.688 -13.350 1.00 2.73 O ATOM 1928 CG2 THR A 131 3.953 7.660 -11.864 1.00 3.45 C ATOM 0 H THR A 131 1.861 8.778 -10.696 1.00 1.67 H new ATOM 0 HA THR A 131 4.168 10.223 -10.923 1.00 2.14 H new ATOM 0 HB THR A 131 4.363 9.332 -13.173 1.00 2.19 H new ATOM 0 HG1 THR A 131 2.628 7.972 -13.984 1.00 2.73 H new ATOM 0 HG21 THR A 131 4.137 6.895 -12.618 1.00 3.45 H new ATOM 0 HG22 THR A 131 4.860 7.822 -11.282 1.00 3.45 H new ATOM 0 HG23 THR A 131 3.151 7.332 -11.202 1.00 3.45 H new ATOM 1936 N ASP A 132 1.842 11.509 -12.893 1.00 2.24 N ATOM 1937 CA ASP A 132 1.368 12.702 -13.598 1.00 2.97 C ATOM 1938 C ASP A 132 0.152 13.311 -12.862 1.00 3.62 C ATOM 1939 O ASP A 132 -0.855 13.673 -13.476 1.00 4.31 O ATOM 1940 CB ASP A 132 1.091 12.337 -15.069 1.00 2.93 C ATOM 1941 CG ASP A 132 2.380 11.989 -15.826 1.00 2.92 C ATOM 1942 OD1 ASP A 132 3.222 12.901 -15.994 1.00 3.17 O ATOM 1943 OD2 ASP A 132 2.506 10.827 -16.293 1.00 3.76 O ATOM 0 H ASP A 132 1.176 10.737 -12.937 1.00 2.24 H new ATOM 0 HA ASP A 132 2.130 13.482 -13.601 1.00 2.97 H new ATOM 0 HB2 ASP A 132 0.406 11.490 -15.110 1.00 2.93 H new ATOM 0 HB3 ASP A 132 0.594 13.172 -15.563 1.00 2.93 H new ATOM 1948 N GLY A 133 0.239 13.372 -11.526 1.00 3.67 N ATOM 1949 CA GLY A 133 -0.782 13.937 -10.637 1.00 4.30 C ATOM 1950 C GLY A 133 -0.239 14.888 -9.572 1.00 4.22 C ATOM 1951 O GLY A 133 -0.803 15.967 -9.407 1.00 5.67 O ATOM 0 H GLY A 133 1.050 13.017 -11.019 1.00 3.67 H new ATOM 0 HA2 GLY A 133 -1.517 14.469 -11.241 1.00 4.30 H new ATOM 0 HA3 GLY A 133 -1.307 13.120 -10.143 1.00 4.30 H new ATOM 1955 N ARG A 134 0.828 14.471 -8.862 1.00 2.99 N ATOM 1956 CA ARG A 134 1.419 15.074 -7.636 1.00 3.16 C ATOM 1957 C ARG A 134 0.566 14.720 -6.398 1.00 3.37 C ATOM 1958 O ARG A 134 -0.664 14.661 -6.500 1.00 4.24 O ATOM 1959 CB ARG A 134 1.612 16.606 -7.734 1.00 3.65 C ATOM 1960 CG ARG A 134 2.378 17.116 -8.975 1.00 4.55 C ATOM 1961 CD ARG A 134 3.852 16.686 -9.057 1.00 5.28 C ATOM 1962 NE ARG A 134 4.631 17.224 -7.930 1.00 6.23 N ATOM 1963 CZ ARG A 134 5.874 16.888 -7.607 1.00 7.41 C ATOM 1964 NH1 ARG A 134 6.597 16.007 -8.269 1.00 8.00 N ATOM 1965 NH2 ARG A 134 6.400 17.371 -6.513 1.00 8.49 N ATOM 0 H ARG A 134 1.344 13.639 -9.148 1.00 2.99 H new ATOM 0 HA ARG A 134 2.415 14.644 -7.533 1.00 3.16 H new ATOM 0 HB2 ARG A 134 0.629 17.077 -7.720 1.00 3.65 H new ATOM 0 HB3 ARG A 134 2.140 16.943 -6.842 1.00 3.65 H new ATOM 0 HG2 ARG A 134 1.863 16.765 -9.869 1.00 4.55 H new ATOM 0 HG3 ARG A 134 2.333 18.205 -8.988 1.00 4.55 H new ATOM 0 HD2 ARG A 134 3.916 15.598 -9.059 1.00 5.28 H new ATOM 0 HD3 ARG A 134 4.282 17.032 -9.997 1.00 5.28 H new ATOM 0 HE ARG A 134 4.173 17.920 -7.342 1.00 6.23 H new ATOM 0 HH11 ARG A 134 6.206 15.536 -9.085 1.00 8.00 H new ATOM 0 HH12 ARG A 134 7.548 15.796 -7.965 1.00 8.00 H new ATOM 0 HH21 ARG A 134 5.857 17.998 -5.919 1.00 8.49 H new ATOM 0 HH22 ARG A 134 7.354 17.121 -6.252 1.00 8.49 H new ATOM 1979 N THR A 135 1.190 14.415 -5.240 1.00 3.15 N ATOM 1980 CA THR A 135 0.542 13.965 -3.974 1.00 3.34 C ATOM 1981 C THR A 135 1.505 13.856 -2.802 1.00 2.34 C ATOM 1982 O THR A 135 1.482 14.718 -1.931 1.00 3.49 O ATOM 1983 CB THR A 135 -0.424 12.756 -4.087 1.00 4.57 C ATOM 1984 OG1 THR A 135 -0.413 12.200 -5.384 1.00 5.34 O ATOM 1985 CG2 THR A 135 -1.865 13.168 -3.779 1.00 5.65 C ATOM 0 H THR A 135 2.204 14.476 -5.151 1.00 3.15 H new ATOM 0 HA THR A 135 -0.129 14.793 -3.746 1.00 3.34 H new ATOM 0 HB THR A 135 -0.074 12.021 -3.362 1.00 4.57 H new ATOM 0 HG1 THR A 135 -1.031 11.440 -5.419 1.00 5.34 H new ATOM 0 HG21 THR A 135 -2.518 12.300 -3.866 1.00 5.65 H new ATOM 0 HG22 THR A 135 -1.921 13.564 -2.765 1.00 5.65 H new ATOM 0 HG23 THR A 135 -2.183 13.934 -4.486 1.00 5.65 H new ATOM 1993 N LEU A 136 2.340 12.825 -2.832 1.00 1.25 N ATOM 1994 CA LEU A 136 3.275 12.437 -1.775 1.00 1.44 C ATOM 1995 C LEU A 136 2.607 12.360 -0.385 1.00 1.07 C ATOM 1996 O LEU A 136 1.997 11.336 -0.085 1.00 0.99 O ATOM 1997 CB LEU A 136 4.645 13.164 -1.859 1.00 2.96 C ATOM 1998 CG LEU A 136 4.702 14.711 -1.944 1.00 3.75 C ATOM 1999 CD1 LEU A 136 6.006 15.220 -1.305 1.00 5.03 C ATOM 2000 CD2 LEU A 136 4.648 15.218 -3.399 1.00 4.70 C ATOM 0 H LEU A 136 2.388 12.201 -3.637 1.00 1.25 H new ATOM 0 HA LEU A 136 3.562 11.402 -1.963 1.00 1.44 H new ATOM 0 HB2 LEU A 136 5.223 12.867 -0.984 1.00 2.96 H new ATOM 0 HB3 LEU A 136 5.166 12.773 -2.733 1.00 2.96 H new ATOM 0 HG LEU A 136 3.830 15.091 -1.412 1.00 3.75 H new ATOM 0 HD11 LEU A 136 6.041 16.308 -1.367 1.00 5.03 H new ATOM 0 HD12 LEU A 136 6.042 14.915 -0.259 1.00 5.03 H new ATOM 0 HD13 LEU A 136 6.860 14.798 -1.835 1.00 5.03 H new ATOM 0 HD21 LEU A 136 4.691 16.307 -3.407 1.00 4.70 H new ATOM 0 HD22 LEU A 136 5.495 14.818 -3.955 1.00 4.70 H new ATOM 0 HD23 LEU A 136 3.720 14.888 -3.865 1.00 4.70 H new ATOM 2012 N ASN A 137 2.753 13.397 0.441 1.00 1.24 N ATOM 2013 CA ASN A 137 2.241 13.544 1.807 1.00 1.26 C ATOM 2014 C ASN A 137 0.770 13.099 1.992 1.00 1.25 C ATOM 2015 O ASN A 137 -0.143 13.895 1.755 1.00 1.69 O ATOM 2016 CB ASN A 137 2.430 15.026 2.205 1.00 1.69 C ATOM 2017 CG ASN A 137 1.870 15.362 3.585 1.00 2.27 C ATOM 2018 OD1 ASN A 137 2.282 14.800 4.583 1.00 3.18 O ATOM 2019 ND2 ASN A 137 0.912 16.263 3.677 1.00 2.85 N ATOM 0 H ASN A 137 3.275 14.224 0.149 1.00 1.24 H new ATOM 0 HA ASN A 137 2.803 12.874 2.458 1.00 1.26 H new ATOM 0 HB2 ASN A 137 3.493 15.267 2.184 1.00 1.69 H new ATOM 0 HB3 ASN A 137 1.945 15.658 1.461 1.00 1.69 H new ATOM 0 HD21 ASN A 137 0.513 16.492 4.587 1.00 2.85 H new ATOM 0 HD22 ASN A 137 0.570 16.731 2.838 1.00 2.85 H new ATOM 2026 N VAL A 138 0.560 11.855 2.442 1.00 1.02 N ATOM 2027 CA VAL A 138 -0.758 11.254 2.729 1.00 1.18 C ATOM 2028 C VAL A 138 -0.784 10.633 4.141 1.00 1.03 C ATOM 2029 O VAL A 138 0.237 10.215 4.685 1.00 1.10 O ATOM 2030 CB VAL A 138 -1.126 10.225 1.624 1.00 1.57 C ATOM 2031 CG1 VAL A 138 -2.362 9.368 1.963 1.00 1.86 C ATOM 2032 CG2 VAL A 138 -1.428 10.940 0.293 1.00 1.91 C ATOM 0 H VAL A 138 1.330 11.211 2.625 1.00 1.02 H new ATOM 0 HA VAL A 138 -1.517 12.036 2.717 1.00 1.18 H new ATOM 0 HB VAL A 138 -0.256 9.573 1.547 1.00 1.57 H new ATOM 0 HG11 VAL A 138 -2.558 8.673 1.146 1.00 1.86 H new ATOM 0 HG12 VAL A 138 -2.176 8.808 2.879 1.00 1.86 H new ATOM 0 HG13 VAL A 138 -3.227 10.016 2.104 1.00 1.86 H new ATOM 0 HG21 VAL A 138 -1.683 10.202 -0.467 1.00 1.91 H new ATOM 0 HG22 VAL A 138 -2.265 11.625 0.429 1.00 1.91 H new ATOM 0 HG23 VAL A 138 -0.549 11.500 -0.026 1.00 1.91 H new ATOM 2042 N ALA A 139 -1.973 10.568 4.751 1.00 1.22 N ATOM 2043 CA ALA A 139 -2.211 9.857 6.011 1.00 1.33 C ATOM 2044 C ALA A 139 -2.752 8.437 5.753 1.00 1.32 C ATOM 2045 O ALA A 139 -3.785 8.271 5.100 1.00 1.43 O ATOM 2046 CB ALA A 139 -3.174 10.693 6.867 1.00 1.71 C ATOM 0 H ALA A 139 -2.810 11.015 4.377 1.00 1.22 H new ATOM 0 HA ALA A 139 -1.272 9.733 6.551 1.00 1.33 H new ATOM 0 HB1 ALA A 139 -3.363 10.179 7.809 1.00 1.71 H new ATOM 0 HB2 ALA A 139 -2.729 11.668 7.068 1.00 1.71 H new ATOM 0 HB3 ALA A 139 -4.114 10.826 6.332 1.00 1.71 H new ATOM 2052 N ALA A 140 -2.048 7.436 6.292 1.00 1.44 N ATOM 2053 CA ALA A 140 -2.455 6.033 6.388 1.00 1.40 C ATOM 2054 C ALA A 140 -3.111 5.744 7.744 1.00 1.19 C ATOM 2055 O ALA A 140 -2.872 6.468 8.718 1.00 1.22 O ATOM 2056 CB ALA A 140 -1.210 5.139 6.262 1.00 1.52 C ATOM 0 H ALA A 140 -1.125 7.594 6.696 1.00 1.44 H new ATOM 0 HA ALA A 140 -3.169 5.829 5.591 1.00 1.40 H new ATOM 0 HB1 ALA A 140 -1.505 4.092 6.333 1.00 1.52 H new ATOM 0 HB2 ALA A 140 -0.730 5.317 5.299 1.00 1.52 H new ATOM 0 HB3 ALA A 140 -0.511 5.374 7.065 1.00 1.52 H new ATOM 2062 N THR A 141 -3.824 4.619 7.823 1.00 1.16 N ATOM 2063 CA THR A 141 -4.445 4.104 9.053 1.00 1.20 C ATOM 2064 C THR A 141 -3.790 2.802 9.484 1.00 1.02 C ATOM 2065 O THR A 141 -3.413 1.968 8.659 1.00 1.06 O ATOM 2066 CB THR A 141 -5.944 3.877 8.832 1.00 1.54 C ATOM 2067 OG1 THR A 141 -6.494 5.074 8.344 1.00 1.52 O ATOM 2068 CG2 THR A 141 -6.708 3.539 10.114 1.00 1.94 C ATOM 0 H THR A 141 -3.992 4.022 7.013 1.00 1.16 H new ATOM 0 HA THR A 141 -4.303 4.844 9.841 1.00 1.20 H new ATOM 0 HB THR A 141 -6.039 3.035 8.146 1.00 1.54 H new ATOM 0 HG1 THR A 141 -7.455 4.955 8.192 1.00 1.52 H new ATOM 0 HG21 THR A 141 -7.763 3.392 9.881 1.00 1.94 H new ATOM 0 HG22 THR A 141 -6.302 2.626 10.550 1.00 1.94 H new ATOM 0 HG23 THR A 141 -6.605 4.358 10.826 1.00 1.94 H new ATOM 2076 N VAL A 142 -3.721 2.604 10.792 1.00 0.93 N ATOM 2077 CA VAL A 142 -3.364 1.340 11.433 1.00 0.81 C ATOM 2078 C VAL A 142 -4.610 0.729 12.082 1.00 0.92 C ATOM 2079 O VAL A 142 -5.216 1.350 12.955 1.00 1.25 O ATOM 2080 CB VAL A 142 -2.278 1.571 12.511 1.00 0.85 C ATOM 2081 CG1 VAL A 142 -1.880 0.265 13.210 1.00 1.28 C ATOM 2082 CG2 VAL A 142 -1.022 2.212 11.911 1.00 1.25 C ATOM 0 H VAL A 142 -3.919 3.345 11.464 1.00 0.93 H new ATOM 0 HA VAL A 142 -2.970 0.659 10.679 1.00 0.81 H new ATOM 0 HB VAL A 142 -2.716 2.247 13.245 1.00 0.85 H new ATOM 0 HG11 VAL A 142 -1.116 0.472 13.959 1.00 1.28 H new ATOM 0 HG12 VAL A 142 -2.754 -0.170 13.694 1.00 1.28 H new ATOM 0 HG13 VAL A 142 -1.487 -0.436 12.474 1.00 1.28 H new ATOM 0 HG21 VAL A 142 -0.279 2.361 12.695 1.00 1.25 H new ATOM 0 HG22 VAL A 142 -0.612 1.558 11.142 1.00 1.25 H new ATOM 0 HG23 VAL A 142 -1.280 3.174 11.469 1.00 1.25 H new ATOM 2092 N LYS A 143 -4.937 -0.501 11.665 1.00 0.91 N ATOM 2093 CA LYS A 143 -5.991 -1.386 12.198 1.00 1.10 C ATOM 2094 C LYS A 143 -5.802 -2.810 11.647 1.00 1.31 C ATOM 2095 O LYS A 143 -5.545 -2.983 10.458 1.00 1.91 O ATOM 2096 CB LYS A 143 -7.405 -0.830 11.892 1.00 1.39 C ATOM 2097 CG LYS A 143 -8.518 -1.647 12.580 1.00 1.85 C ATOM 2098 CD LYS A 143 -9.898 -0.965 12.564 1.00 2.57 C ATOM 2099 CE LYS A 143 -10.701 -1.222 11.280 1.00 2.41 C ATOM 2100 NZ LYS A 143 -12.033 -0.571 11.353 1.00 2.95 N ATOM 0 H LYS A 143 -4.438 -0.939 10.891 1.00 0.91 H new ATOM 0 HA LYS A 143 -5.902 -1.425 13.284 1.00 1.10 H new ATOM 0 HB2 LYS A 143 -7.464 0.208 12.220 1.00 1.39 H new ATOM 0 HB3 LYS A 143 -7.569 -0.833 10.814 1.00 1.39 H new ATOM 0 HG2 LYS A 143 -8.598 -2.617 12.090 1.00 1.85 H new ATOM 0 HG3 LYS A 143 -8.230 -1.835 13.614 1.00 1.85 H new ATOM 0 HD2 LYS A 143 -10.476 -1.315 13.419 1.00 2.57 H new ATOM 0 HD3 LYS A 143 -9.764 0.109 12.689 1.00 2.57 H new ATOM 0 HE2 LYS A 143 -10.151 -0.841 10.419 1.00 2.41 H new ATOM 0 HE3 LYS A 143 -10.823 -2.295 11.130 1.00 2.41 H new ATOM 0 HZ1 LYS A 143 -12.559 -0.757 10.475 1.00 2.95 H new ATOM 0 HZ2 LYS A 143 -12.563 -0.954 12.162 1.00 2.95 H new ATOM 0 HZ3 LYS A 143 -11.912 0.455 11.473 1.00 2.95 H new ATOM 2114 N LYS A 144 -5.907 -3.853 12.489 1.00 1.64 N ATOM 2115 CA LYS A 144 -5.673 -5.260 12.085 1.00 2.04 C ATOM 2116 C LYS A 144 -6.258 -6.292 13.065 1.00 2.07 C ATOM 2117 O LYS A 144 -7.212 -6.980 12.730 1.00 3.21 O ATOM 2118 CB LYS A 144 -4.161 -5.478 11.889 1.00 3.32 C ATOM 2119 CG LYS A 144 -3.730 -6.829 11.277 1.00 5.11 C ATOM 2120 CD LYS A 144 -4.093 -6.978 9.787 1.00 6.96 C ATOM 2121 CE LYS A 144 -3.206 -8.017 9.077 1.00 8.71 C ATOM 2122 NZ LYS A 144 -3.491 -9.412 9.482 1.00 9.40 N ATOM 0 H LYS A 144 -6.157 -3.749 13.472 1.00 1.64 H new ATOM 0 HA LYS A 144 -6.205 -5.424 11.148 1.00 2.04 H new ATOM 0 HB2 LYS A 144 -3.782 -4.679 11.252 1.00 3.32 H new ATOM 0 HB3 LYS A 144 -3.673 -5.372 12.858 1.00 3.32 H new ATOM 0 HG2 LYS A 144 -2.652 -6.943 11.392 1.00 5.11 H new ATOM 0 HG3 LYS A 144 -4.198 -7.638 11.838 1.00 5.11 H new ATOM 0 HD2 LYS A 144 -5.139 -7.272 9.697 1.00 6.96 H new ATOM 0 HD3 LYS A 144 -3.989 -6.013 9.291 1.00 6.96 H new ATOM 0 HE2 LYS A 144 -3.343 -7.925 8.000 1.00 8.71 H new ATOM 0 HE3 LYS A 144 -2.160 -7.793 9.285 1.00 8.71 H new ATOM 0 HZ1 LYS A 144 -2.746 -10.039 9.116 1.00 9.40 H new ATOM 0 HZ2 LYS A 144 -3.516 -9.474 10.520 1.00 9.40 H new ATOM 0 HZ3 LYS A 144 -4.411 -9.705 9.095 1.00 9.40 H new ATOM 2136 N ASN A 145 -5.659 -6.400 14.253 1.00 2.68 N ATOM 2137 CA ASN A 145 -6.177 -7.095 15.458 1.00 4.55 C ATOM 2138 C ASN A 145 -6.099 -8.639 15.478 1.00 4.86 C ATOM 2139 O ASN A 145 -6.256 -9.239 16.537 1.00 6.51 O ATOM 2140 CB ASN A 145 -7.615 -6.613 15.778 1.00 6.12 C ATOM 2141 CG ASN A 145 -8.082 -6.989 17.183 1.00 7.75 C ATOM 2142 OD1 ASN A 145 -8.826 -7.943 17.373 1.00 8.31 O ATOM 2143 ND2 ASN A 145 -7.685 -6.235 18.198 1.00 8.88 N ATOM 0 H ASN A 145 -4.743 -5.983 14.421 1.00 2.68 H new ATOM 0 HA ASN A 145 -5.478 -6.805 16.242 1.00 4.55 H new ATOM 0 HB2 ASN A 145 -7.661 -5.530 15.666 1.00 6.12 H new ATOM 0 HB3 ASN A 145 -8.304 -7.038 15.048 1.00 6.12 H new ATOM 0 HD21 ASN A 145 -7.999 -6.448 19.145 1.00 8.88 H new ATOM 0 HD22 ASN A 145 -7.065 -5.442 18.032 1.00 8.88 H new ATOM 2150 N ILE A 146 -5.842 -9.279 14.339 1.00 3.69 N ATOM 2151 CA ILE A 146 -5.959 -10.744 14.183 1.00 4.20 C ATOM 2152 C ILE A 146 -4.829 -11.490 14.913 1.00 4.14 C ATOM 2153 O ILE A 146 -5.143 -12.237 15.838 1.00 4.96 O ATOM 2154 CB ILE A 146 -6.103 -11.148 12.691 1.00 4.53 C ATOM 2155 CG1 ILE A 146 -7.400 -10.564 12.082 1.00 5.55 C ATOM 2156 CG2 ILE A 146 -6.102 -12.682 12.534 1.00 5.67 C ATOM 2157 CD1 ILE A 146 -7.474 -10.667 10.554 1.00 5.98 C ATOM 0 H ILE A 146 -5.544 -8.801 13.488 1.00 3.69 H new ATOM 0 HA ILE A 146 -6.882 -11.059 14.671 1.00 4.20 H new ATOM 0 HB ILE A 146 -5.247 -10.737 12.156 1.00 4.53 H new ATOM 0 HG12 ILE A 146 -8.257 -11.083 12.513 1.00 5.55 H new ATOM 0 HG13 ILE A 146 -7.484 -9.516 12.370 1.00 5.55 H new ATOM 0 HG21 ILE A 146 -6.204 -12.940 11.480 1.00 5.67 H new ATOM 0 HG22 ILE A 146 -5.165 -13.086 12.917 1.00 5.67 H new ATOM 0 HG23 ILE A 146 -6.936 -13.106 13.094 1.00 5.67 H new ATOM 0 HD11 ILE A 146 -8.413 -10.236 10.205 1.00 5.98 H new ATOM 0 HD12 ILE A 146 -6.639 -10.124 10.112 1.00 5.98 H new ATOM 0 HD13 ILE A 146 -7.423 -11.715 10.257 1.00 5.98 H new ATOM 2169 N GLU A 147 -3.576 -11.308 14.490 1.00 3.53 N ATOM 2170 CA GLU A 147 -2.408 -12.068 14.945 1.00 3.85 C ATOM 2171 C GLU A 147 -1.931 -11.598 16.340 1.00 3.79 C ATOM 2172 O GLU A 147 -2.508 -11.958 17.368 1.00 4.72 O ATOM 2173 CB GLU A 147 -1.286 -12.016 13.880 1.00 4.37 C ATOM 2174 CG GLU A 147 -1.682 -12.418 12.452 1.00 5.12 C ATOM 2175 CD GLU A 147 -2.014 -11.207 11.586 1.00 6.11 C ATOM 2176 OE1 GLU A 147 -2.831 -10.360 11.970 1.00 6.81 O ATOM 2177 OE2 GLU A 147 -1.458 -11.076 10.459 1.00 6.82 O ATOM 0 H GLU A 147 -3.337 -10.601 13.795 1.00 3.53 H new ATOM 0 HA GLU A 147 -2.696 -13.112 15.063 1.00 3.85 H new ATOM 0 HB2 GLU A 147 -0.888 -11.001 13.852 1.00 4.37 H new ATOM 0 HB3 GLU A 147 -0.475 -12.667 14.206 1.00 4.37 H new ATOM 0 HG2 GLU A 147 -0.866 -12.978 11.994 1.00 5.12 H new ATOM 0 HG3 GLU A 147 -2.544 -13.084 12.489 1.00 5.12 H new ATOM 2184 N GLY A 148 -0.863 -10.789 16.404 1.00 3.31 N ATOM 2185 CA GLY A 148 -0.283 -10.263 17.648 1.00 4.02 C ATOM 2186 C GLY A 148 0.786 -11.202 18.211 1.00 4.47 C ATOM 2187 O GLY A 148 0.462 -12.120 18.959 1.00 5.23 O ATOM 0 H GLY A 148 -0.366 -10.475 15.570 1.00 3.31 H new ATOM 0 HA2 GLY A 148 0.155 -9.283 17.460 1.00 4.02 H new ATOM 0 HA3 GLY A 148 -1.072 -10.123 18.387 1.00 4.02 H new ATOM 2191 N ARG A 149 2.052 -10.945 17.836 1.00 4.66 N ATOM 2192 CA ARG A 149 3.247 -11.777 18.109 1.00 5.86 C ATOM 2193 C ARG A 149 3.121 -13.172 17.503 1.00 6.86 C ATOM 2194 O ARG A 149 3.396 -13.298 16.289 1.00 7.78 O ATOM 2195 CB ARG A 149 3.632 -11.796 19.603 1.00 6.28 C ATOM 2196 CG ARG A 149 4.291 -10.485 20.069 1.00 7.03 C ATOM 2197 CD ARG A 149 4.970 -10.663 21.436 1.00 8.18 C ATOM 2198 NE ARG A 149 6.075 -11.632 21.378 1.00 9.35 N ATOM 2199 CZ ARG A 149 7.126 -11.684 22.164 1.00 10.59 C ATOM 2200 NH1 ARG A 149 7.247 -10.920 23.206 1.00 11.01 N ATOM 2201 NH2 ARG A 149 8.064 -12.544 21.916 1.00 11.73 N ATOM 2202 OXT ARG A 149 2.797 -14.142 18.232 1.00 7.48 O ATOM 0 H ARG A 149 2.286 -10.106 17.305 1.00 4.66 H new ATOM 0 HA ARG A 149 4.085 -11.299 17.602 1.00 5.86 H new ATOM 0 HB2 ARG A 149 2.739 -11.980 20.201 1.00 6.28 H new ATOM 0 HB3 ARG A 149 4.315 -12.625 19.786 1.00 6.28 H new ATOM 0 HG2 ARG A 149 5.027 -10.163 19.333 1.00 7.03 H new ATOM 0 HG3 ARG A 149 3.539 -9.699 20.133 1.00 7.03 H new ATOM 0 HD2 ARG A 149 5.349 -9.701 21.781 1.00 8.18 H new ATOM 0 HD3 ARG A 149 4.233 -10.996 22.167 1.00 8.18 H new ATOM 0 HE ARG A 149 6.019 -12.341 20.647 1.00 9.35 H new ATOM 0 HH11 ARG A 149 6.512 -10.252 23.437 1.00 11.01 H new ATOM 0 HH12 ARG A 149 8.077 -10.988 23.794 1.00 11.01 H new ATOM 0 HH21 ARG A 149 7.982 -13.172 21.117 1.00 11.73 H new ATOM 0 HH22 ARG A 149 8.884 -12.592 22.520 1.00 11.73 H new TER 2216 ARG A 149