USER MOD reduce.3.24.130724 H: found=0, std=0, add=1347, rem=0, adj=35 USER MOD reduce.3.24.130724 removed 1347 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 34 MET CE :methyl -147:sc= -1.6 (180deg=-2.87!) USER MOD Set 1.2: A 51 MET CE :methyl -131:sc= -0.0833 (180deg=-1.6!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -178:sc= 0 (180deg=-0.00437) USER MOD Single : A 3 SER OG : rot 180:sc=0.000533 USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 ASN : amide:sc= 0.0923 K(o=0.092,f=-5!) USER MOD Single : A 10 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 13 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 22 LYS NZ :NH3+ 161:sc= -0.0922 (180deg=-0.431) USER MOD Single : A 23 THR OG1 : rot 180:sc= -0.0105 USER MOD Single : A 25 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0657) USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 GLN : amide:sc= -4.58! C(o=-4.6!,f=-8.8!) USER MOD Single : A 42 LYS NZ :NH3+ -174:sc= 1.24 (180deg=1.12) USER MOD Single : A 45 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.000206) USER MOD Single : A 46 SER OG : rot 30:sc= -1.32! USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 MET CE :methyl 140:sc= -1.12 (180deg=-4.56!) USER MOD Single : A 57 TYR OH : rot 180:sc= -0.564 USER MOD Single : A 61 ASN : amide:sc= 0 K(o=0,f=-0.62) USER MOD Single : A 74 THR OG1 : rot -150:sc= 0.783 USER MOD Single : A 75 GLN : amide:sc= -0.04 X(o=-0.04,f=0) USER MOD Single : A 76 ASN : amide:sc= -3.79! C(o=-3.8!,f=-8.8!) USER MOD Single : A 81 THR OG1 : rot -160:sc= 0 USER MOD Single : A 85 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0171) USER MOD Single : A 91 SER OG : rot 171:sc= 1.23 USER MOD Single : A 92 THR OG1 : rot 180:sc= 0 USER MOD Single : A 99 SER OG : rot 180:sc= 0.0177 USER MOD Single : A 105 THR OG1 : rot 180:sc= 0 USER MOD Single : A 109 THR OG1 : rot -118:sc= -0.166 USER MOD Single : A 112 MET CE :methyl -179:sc= -3.38 (180deg=-3.49) USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 126 LYS NZ :NH3+ -174:sc=-0.00211 (180deg=-0.0675) USER MOD Single : A 130 THR OG1 : rot 180:sc= -0.0262 USER MOD Single : A 134 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 135 SER OG : rot 42:sc= 1.04 USER MOD Single : A 142 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 145 GLN : amide:sc= -2.74! K(o=-2.7!,f=-0.036) USER MOD Single : A 146 GLN : amide:sc= -1.12 K(o=-1.1,f=-0.013) USER MOD Single : A 150 SER OG : rot 180:sc= 0 USER MOD Single : A 152 GLN : amide:sc= -0.0419 K(o=-0.042,f=-3.6!) USER MOD Single : A 157 SER OG : rot 180:sc= 0.00388 USER MOD Single : A 160 SER OG : rot 67:sc= 0.485 USER MOD Single : A 164 THR OG1 : rot 45:sc= 0.237 USER MOD Single : A 168 MET CE :methyl -162:sc= -0.0528 (180deg=-0.302) USER MOD Single : A 169 GLN : amide:sc= -1.88! K(o=-1.9!,f=-0.67) USER MOD Single : A 171 THR OG1 : rot 180:sc= 0.0018 USER MOD Single : A 172 THR OG1 : rot 170:sc= 0 USER MOD Single : A 173 SER OG : rot -115:sc= 1.26 USER MOD Single : A 180 GLN : amide:sc= -0.266 X(o=-0.27,f=-0.46) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -37.901 -0.845 -65.637 1.00 33.65 N ATOM 2 CA MET A 1 -38.815 -1.024 -64.488 1.00 33.45 C ATOM 3 C MET A 1 -38.778 -2.458 -63.991 1.00 33.18 C ATOM 4 O MET A 1 -38.802 -3.402 -64.787 1.00 33.13 O ATOM 5 CB MET A 1 -40.250 -0.645 -64.859 1.00 33.33 C ATOM 6 CG MET A 1 -40.459 0.843 -65.072 1.00 33.70 C ATOM 7 SD MET A 1 -40.107 1.812 -63.593 1.00 34.05 S ATOM 8 CE MET A 1 -40.469 3.464 -64.181 1.00 34.32 C ATOM 0 H1 MET A 1 -37.915 0.150 -65.940 1.00 33.65 H new ATOM 0 H2 MET A 1 -36.935 -1.107 -65.356 1.00 33.65 H new ATOM 0 H3 MET A 1 -38.209 -1.451 -66.424 1.00 33.65 H new ATOM 0 HA MET A 1 -38.475 -0.362 -63.692 1.00 33.45 H new ATOM 0 HB2 MET A 1 -40.531 -1.175 -65.769 1.00 33.33 H new ATOM 0 HB3 MET A 1 -40.921 -0.987 -64.071 1.00 33.33 H new ATOM 0 HG2 MET A 1 -39.818 1.183 -65.886 1.00 33.70 H new ATOM 0 HG3 MET A 1 -41.489 1.021 -65.382 1.00 33.70 H new ATOM 0 HE1 MET A 1 -40.299 4.181 -63.378 1.00 34.32 H new ATOM 0 HE2 MET A 1 -39.819 3.701 -65.023 1.00 34.32 H new ATOM 0 HE3 MET A 1 -41.510 3.517 -64.500 1.00 34.32 H new ATOM 20 N GLY A 2 -38.723 -2.615 -62.681 1.00 33.09 N ATOM 21 CA GLY A 2 -38.739 -3.931 -62.082 1.00 32.90 C ATOM 22 C GLY A 2 -39.516 -3.925 -60.787 1.00 32.89 C ATOM 23 O GLY A 2 -39.056 -4.437 -59.771 1.00 32.86 O ATOM 0 H GLY A 2 -38.667 -1.845 -62.014 1.00 33.09 H new ATOM 0 HA2 GLY A 2 -39.185 -4.645 -62.775 1.00 32.90 H new ATOM 0 HA3 GLY A 2 -37.717 -4.263 -61.896 1.00 32.90 H new ATOM 27 N SER A 3 -40.708 -3.352 -60.835 1.00 32.98 N ATOM 28 CA SER A 3 -41.527 -3.158 -59.646 1.00 33.04 C ATOM 29 C SER A 3 -41.920 -4.492 -59.007 1.00 32.62 C ATOM 30 O SER A 3 -42.255 -4.547 -57.821 1.00 32.63 O ATOM 31 CB SER A 3 -42.777 -2.364 -60.017 1.00 33.70 C ATOM 32 OG SER A 3 -42.437 -1.240 -60.813 1.00 34.12 O ATOM 0 H SER A 3 -41.135 -3.009 -61.695 1.00 32.98 H new ATOM 0 HA SER A 3 -40.940 -2.604 -58.913 1.00 33.04 H new ATOM 0 HB2 SER A 3 -43.473 -3.004 -60.560 1.00 33.70 H new ATOM 0 HB3 SER A 3 -43.287 -2.034 -59.112 1.00 33.70 H new ATOM 0 HG SER A 3 -43.250 -0.744 -61.043 1.00 34.12 H new ATOM 38 N ALA A 4 -41.860 -5.565 -59.784 1.00 32.32 N ATOM 39 CA ALA A 4 -42.229 -6.882 -59.283 1.00 31.97 C ATOM 40 C ALA A 4 -41.007 -7.653 -58.791 1.00 31.64 C ATOM 41 O ALA A 4 -41.135 -8.729 -58.211 1.00 31.19 O ATOM 42 CB ALA A 4 -42.953 -7.670 -60.363 1.00 31.74 C ATOM 0 H ALA A 4 -41.561 -5.550 -60.759 1.00 32.32 H new ATOM 0 HA ALA A 4 -42.899 -6.744 -58.434 1.00 31.97 H new ATOM 0 HB1 ALA A 4 -43.224 -8.653 -59.977 1.00 31.74 H new ATOM 0 HB2 ALA A 4 -43.855 -7.136 -60.660 1.00 31.74 H new ATOM 0 HB3 ALA A 4 -42.300 -7.787 -61.228 1.00 31.74 H new ATOM 48 N THR A 5 -39.824 -7.100 -59.016 1.00 31.95 N ATOM 49 CA THR A 5 -38.590 -7.769 -58.629 1.00 31.80 C ATOM 50 C THR A 5 -37.812 -6.971 -57.585 1.00 31.31 C ATOM 51 O THR A 5 -36.605 -7.156 -57.417 1.00 31.16 O ATOM 52 CB THR A 5 -37.697 -8.029 -59.854 1.00 32.30 C ATOM 53 OG1 THR A 5 -37.724 -6.894 -60.729 1.00 32.53 O ATOM 54 CG2 THR A 5 -38.155 -9.267 -60.604 1.00 32.74 C ATOM 0 H THR A 5 -39.692 -6.193 -59.463 1.00 31.95 H new ATOM 0 HA THR A 5 -38.875 -8.723 -58.185 1.00 31.80 H new ATOM 0 HB THR A 5 -36.677 -8.194 -59.505 1.00 32.30 H new ATOM 0 HG1 THR A 5 -37.152 -7.066 -61.506 1.00 32.53 H new ATOM 0 HG21 THR A 5 -37.508 -9.430 -61.466 1.00 32.74 H new ATOM 0 HG22 THR A 5 -38.104 -10.132 -59.943 1.00 32.74 H new ATOM 0 HG23 THR A 5 -39.182 -9.128 -60.942 1.00 32.74 H new ATOM 62 N VAL A 6 -38.505 -6.093 -56.878 1.00 31.15 N ATOM 63 CA VAL A 6 -37.873 -5.297 -55.836 1.00 30.77 C ATOM 64 C VAL A 6 -38.439 -5.652 -54.464 1.00 30.24 C ATOM 65 O VAL A 6 -39.648 -5.620 -54.243 1.00 30.59 O ATOM 66 CB VAL A 6 -38.019 -3.777 -56.092 1.00 31.07 C ATOM 67 CG1 VAL A 6 -37.181 -3.357 -57.289 1.00 31.29 C ATOM 68 CG2 VAL A 6 -39.474 -3.394 -56.310 1.00 31.20 C ATOM 0 H VAL A 6 -39.501 -5.913 -57.005 1.00 31.15 H new ATOM 0 HA VAL A 6 -36.810 -5.536 -55.857 1.00 30.77 H new ATOM 0 HB VAL A 6 -37.659 -3.253 -55.207 1.00 31.07 H new ATOM 0 HG11 VAL A 6 -37.295 -2.286 -57.455 1.00 31.29 H new ATOM 0 HG12 VAL A 6 -36.133 -3.585 -57.097 1.00 31.29 H new ATOM 0 HG13 VAL A 6 -37.514 -3.899 -58.174 1.00 31.29 H new ATOM 0 HG21 VAL A 6 -39.545 -2.321 -56.487 1.00 31.20 H new ATOM 0 HG22 VAL A 6 -39.866 -3.931 -57.174 1.00 31.20 H new ATOM 0 HG23 VAL A 6 -40.055 -3.655 -55.426 1.00 31.20 H new ATOM 78 N ASN A 7 -37.546 -6.016 -53.557 1.00 29.46 N ATOM 79 CA ASN A 7 -37.919 -6.348 -52.186 1.00 28.96 C ATOM 80 C ASN A 7 -38.249 -5.083 -51.403 1.00 28.50 C ATOM 81 O ASN A 7 -38.989 -5.120 -50.420 1.00 28.42 O ATOM 82 CB ASN A 7 -36.783 -7.127 -51.500 1.00 28.74 C ATOM 83 CG ASN A 7 -35.466 -6.363 -51.444 1.00 28.54 C ATOM 84 OD1 ASN A 7 -35.158 -5.551 -52.317 1.00 28.57 O ATOM 85 ND2 ASN A 7 -34.667 -6.640 -50.430 1.00 28.41 N ATOM 0 H ASN A 7 -36.547 -6.090 -53.746 1.00 29.46 H new ATOM 0 HA ASN A 7 -38.808 -6.979 -52.209 1.00 28.96 H new ATOM 0 HB2 ASN A 7 -37.089 -7.381 -50.485 1.00 28.74 H new ATOM 0 HB3 ASN A 7 -36.626 -8.066 -52.030 1.00 28.74 H new ATOM 0 HD21 ASN A 7 -33.762 -6.176 -50.352 1.00 28.41 H new ATOM 0 HD22 ASN A 7 -34.955 -7.318 -49.725 1.00 28.41 H new ATOM 92 N GLY A 8 -37.688 -3.971 -51.846 1.00 28.28 N ATOM 93 CA GLY A 8 -37.921 -2.699 -51.200 1.00 27.93 C ATOM 94 C GLY A 8 -37.024 -1.625 -51.769 1.00 27.61 C ATOM 95 O GLY A 8 -36.326 -1.873 -52.758 1.00 27.61 O ATOM 0 H GLY A 8 -37.066 -3.928 -52.654 1.00 28.28 H new ATOM 0 HA2 GLY A 8 -38.964 -2.410 -51.326 1.00 27.93 H new ATOM 0 HA3 GLY A 8 -37.744 -2.794 -50.129 1.00 27.93 H new ATOM 99 N PRO A 9 -37.007 -0.427 -51.170 1.00 27.42 N ATOM 100 CA PRO A 9 -36.185 0.679 -51.655 1.00 27.20 C ATOM 101 C PRO A 9 -34.693 0.377 -51.582 1.00 26.67 C ATOM 102 O PRO A 9 -34.257 -0.476 -50.803 1.00 26.59 O ATOM 103 CB PRO A 9 -36.544 1.847 -50.733 1.00 27.23 C ATOM 104 CG PRO A 9 -37.114 1.209 -49.512 1.00 27.37 C ATOM 105 CD PRO A 9 -37.783 -0.054 -49.975 1.00 27.51 C ATOM 0 HA PRO A 9 -36.380 0.885 -52.707 1.00 27.20 H new ATOM 0 HB2 PRO A 9 -35.665 2.445 -50.493 1.00 27.23 H new ATOM 0 HB3 PRO A 9 -37.266 2.515 -51.204 1.00 27.23 H new ATOM 0 HG2 PRO A 9 -36.332 0.992 -48.785 1.00 27.37 H new ATOM 0 HG3 PRO A 9 -37.828 1.872 -49.023 1.00 27.37 H new ATOM 0 HD2 PRO A 9 -37.747 -0.832 -49.212 1.00 27.51 H new ATOM 0 HD3 PRO A 9 -38.834 0.111 -50.213 1.00 27.51 H new ATOM 113 N HIS A 10 -33.915 1.069 -52.394 1.00 26.41 N ATOM 114 CA HIS A 10 -32.474 0.895 -52.394 1.00 25.98 C ATOM 115 C HIS A 10 -31.856 1.592 -51.184 1.00 25.20 C ATOM 116 O HIS A 10 -31.562 2.787 -51.222 1.00 24.97 O ATOM 117 CB HIS A 10 -31.875 1.437 -53.698 1.00 26.32 C ATOM 118 CG HIS A 10 -30.389 1.264 -53.804 1.00 26.28 C ATOM 119 ND1 HIS A 10 -29.535 2.299 -54.114 1.00 26.46 N ATOM 120 CD2 HIS A 10 -29.609 0.165 -53.664 1.00 26.19 C ATOM 121 CE1 HIS A 10 -28.297 1.848 -54.156 1.00 26.48 C ATOM 122 NE2 HIS A 10 -28.316 0.557 -53.889 1.00 26.32 N ATOM 0 H HIS A 10 -34.258 1.758 -53.063 1.00 26.41 H new ATOM 0 HA HIS A 10 -32.248 -0.169 -52.328 1.00 25.98 H new ATOM 0 HB2 HIS A 10 -32.350 0.935 -54.541 1.00 26.32 H new ATOM 0 HB3 HIS A 10 -32.114 2.497 -53.783 1.00 26.32 H new ATOM 0 HD2 HIS A 10 -29.944 -0.833 -53.421 1.00 26.19 H new ATOM 0 HE1 HIS A 10 -27.417 2.436 -54.372 1.00 26.48 H new ATOM 0 HE2 HIS A 10 -27.499 -0.052 -53.855 1.00 26.32 H new ATOM 131 N ASP A 11 -31.687 0.844 -50.108 1.00 24.90 N ATOM 132 CA ASP A 11 -31.079 1.377 -48.898 1.00 24.25 C ATOM 133 C ASP A 11 -29.773 0.649 -48.612 1.00 23.73 C ATOM 134 O ASP A 11 -28.711 1.266 -48.495 1.00 23.90 O ATOM 135 CB ASP A 11 -32.041 1.246 -47.720 1.00 24.28 C ATOM 136 CG ASP A 11 -31.541 1.964 -46.487 1.00 24.24 C ATOM 137 OD1 ASP A 11 -31.364 3.198 -46.541 1.00 24.51 O1- ATOM 138 OD2 ASP A 11 -31.308 1.291 -45.459 1.00 24.02 O ATOM 0 H ASP A 11 -31.962 -0.136 -50.046 1.00 24.90 H new ATOM 0 HA ASP A 11 -30.863 2.435 -49.044 1.00 24.25 H new ATOM 0 HB2 ASP A 11 -33.014 1.648 -48.002 1.00 24.28 H new ATOM 0 HB3 ASP A 11 -32.187 0.191 -47.489 1.00 24.28 H new ATOM 143 N GLY A 12 -29.856 -0.668 -48.498 1.00 23.19 N ATOM 144 CA GLY A 12 -28.663 -1.484 -48.421 1.00 22.76 C ATOM 145 C GLY A 12 -28.163 -1.709 -47.011 1.00 21.82 C ATOM 146 O GLY A 12 -28.259 -2.816 -46.488 1.00 21.65 O ATOM 0 H GLY A 12 -30.733 -1.188 -48.457 1.00 23.19 H new ATOM 0 HA2 GLY A 12 -28.866 -2.450 -48.883 1.00 22.76 H new ATOM 0 HA3 GLY A 12 -27.873 -1.011 -49.005 1.00 22.76 H new ATOM 150 N HIS A 13 -27.637 -0.667 -46.385 1.00 21.31 N ATOM 151 CA HIS A 13 -26.948 -0.825 -45.108 1.00 20.46 C ATOM 152 C HIS A 13 -27.816 -0.397 -43.933 1.00 19.83 C ATOM 153 O HIS A 13 -28.959 0.020 -44.109 1.00 19.78 O ATOM 154 CB HIS A 13 -25.634 -0.037 -45.097 1.00 20.39 C ATOM 155 CG HIS A 13 -24.602 -0.563 -46.048 1.00 20.50 C ATOM 156 ND1 HIS A 13 -23.500 -1.281 -45.637 1.00 20.49 N ATOM 157 CD2 HIS A 13 -24.501 -0.462 -47.395 1.00 20.77 C ATOM 158 CE1 HIS A 13 -22.767 -1.597 -46.689 1.00 20.74 C ATOM 159 NE2 HIS A 13 -23.352 -1.112 -47.768 1.00 20.92 N ATOM 0 H HIS A 13 -27.672 0.291 -46.735 1.00 21.31 H new ATOM 0 HA HIS A 13 -26.731 -1.887 -44.995 1.00 20.46 H new ATOM 0 HB2 HIS A 13 -25.844 1.004 -45.343 1.00 20.39 H new ATOM 0 HB3 HIS A 13 -25.223 -0.049 -44.087 1.00 20.39 H new ATOM 0 HD2 HIS A 13 -25.196 0.038 -48.053 1.00 20.77 H new ATOM 0 HE1 HIS A 13 -21.844 -2.158 -46.670 1.00 20.74 H new ATOM 0 HE2 HIS A 13 -23.006 -1.205 -48.723 1.00 20.92 H new ATOM 168 N ASP A 14 -27.259 -0.500 -42.735 1.00 19.48 N ATOM 169 CA ASP A 14 -27.960 -0.103 -41.521 1.00 18.98 C ATOM 170 C ASP A 14 -27.008 0.633 -40.581 1.00 18.18 C ATOM 171 O ASP A 14 -25.788 0.481 -40.695 1.00 18.03 O ATOM 172 CB ASP A 14 -28.570 -1.327 -40.819 1.00 19.31 C ATOM 173 CG ASP A 14 -27.530 -2.294 -40.293 1.00 19.60 C ATOM 174 OD1 ASP A 14 -27.038 -3.132 -41.080 1.00 19.89 O ATOM 175 OD2 ASP A 14 -27.181 -2.208 -39.097 1.00 19.65 O1- ATOM 0 H ASP A 14 -26.317 -0.858 -42.577 1.00 19.48 H new ATOM 0 HA ASP A 14 -28.772 0.570 -41.795 1.00 18.98 H new ATOM 0 HB2 ASP A 14 -29.194 -0.989 -39.992 1.00 19.31 H new ATOM 0 HB3 ASP A 14 -29.223 -1.850 -41.518 1.00 19.31 H new ATOM 180 N PRO A 15 -27.533 1.471 -39.668 1.00 17.80 N ATOM 181 CA PRO A 15 -26.699 2.236 -38.735 1.00 17.14 C ATOM 182 C PRO A 15 -25.883 1.345 -37.791 1.00 16.68 C ATOM 183 O PRO A 15 -24.695 1.117 -38.017 1.00 16.69 O ATOM 184 CB PRO A 15 -27.703 3.092 -37.952 1.00 17.09 C ATOM 185 CG PRO A 15 -29.025 2.430 -38.148 1.00 17.72 C ATOM 186 CD PRO A 15 -28.968 1.765 -39.495 1.00 18.12 C ATOM 0 HA PRO A 15 -25.951 2.826 -39.265 1.00 17.14 H new ATOM 0 HB2 PRO A 15 -27.440 3.139 -36.895 1.00 17.09 H new ATOM 0 HB3 PRO A 15 -27.718 4.117 -38.322 1.00 17.09 H new ATOM 0 HG2 PRO A 15 -29.215 1.700 -37.361 1.00 17.72 H new ATOM 0 HG3 PRO A 15 -29.835 3.159 -38.108 1.00 17.72 H new ATOM 0 HD2 PRO A 15 -29.571 0.857 -39.521 1.00 18.12 H new ATOM 0 HD3 PRO A 15 -29.342 2.419 -40.283 1.00 18.12 H new ATOM 194 N ALA A 16 -26.544 0.843 -36.741 1.00 16.42 N ATOM 195 CA ALA A 16 -25.930 -0.054 -35.757 1.00 16.13 C ATOM 196 C ALA A 16 -24.772 0.611 -35.018 1.00 15.32 C ATOM 197 O ALA A 16 -23.862 -0.066 -34.539 1.00 15.30 O ATOM 198 CB ALA A 16 -25.464 -1.347 -36.421 1.00 16.58 C ATOM 0 H ALA A 16 -27.525 1.049 -36.550 1.00 16.42 H new ATOM 0 HA ALA A 16 -26.696 -0.292 -35.019 1.00 16.13 H new ATOM 0 HB1 ALA A 16 -25.012 -1.998 -35.673 1.00 16.58 H new ATOM 0 HB2 ALA A 16 -26.318 -1.852 -36.873 1.00 16.58 H new ATOM 0 HB3 ALA A 16 -24.729 -1.116 -37.192 1.00 16.58 H new ATOM 204 N ALA A 17 -24.818 1.932 -34.901 1.00 14.80 N ATOM 205 CA ALA A 17 -23.726 2.677 -34.291 1.00 14.13 C ATOM 206 C ALA A 17 -24.104 3.170 -32.897 1.00 13.59 C ATOM 207 O ALA A 17 -24.167 4.375 -32.646 1.00 13.72 O ATOM 208 CB ALA A 17 -23.325 3.842 -35.183 1.00 14.36 C ATOM 0 H ALA A 17 -25.598 2.507 -35.220 1.00 14.80 H new ATOM 0 HA ALA A 17 -22.873 2.007 -34.184 1.00 14.13 H new ATOM 0 HB1 ALA A 17 -22.508 4.392 -34.717 1.00 14.36 H new ATOM 0 HB2 ALA A 17 -23.001 3.463 -36.153 1.00 14.36 H new ATOM 0 HB3 ALA A 17 -24.178 4.506 -35.319 1.00 14.36 H new ATOM 214 N GLY A 18 -24.352 2.233 -31.995 1.00 13.17 N ATOM 215 CA GLY A 18 -24.706 2.589 -30.636 1.00 12.81 C ATOM 216 C GLY A 18 -23.518 2.522 -29.699 1.00 12.32 C ATOM 217 O GLY A 18 -22.448 3.057 -30.008 1.00 12.26 O ATOM 0 H GLY A 18 -24.315 1.231 -32.180 1.00 13.17 H new ATOM 0 HA2 GLY A 18 -25.121 3.597 -30.623 1.00 12.81 H new ATOM 0 HA3 GLY A 18 -25.487 1.918 -30.278 1.00 12.81 H new ATOM 221 N ALA A 19 -23.703 1.839 -28.567 1.00 12.17 N ATOM 222 CA ALA A 19 -22.678 1.699 -27.531 1.00 11.91 C ATOM 223 C ALA A 19 -22.274 3.044 -26.933 1.00 11.79 C ATOM 224 O ALA A 19 -21.225 3.174 -26.299 1.00 11.90 O ATOM 225 CB ALA A 19 -21.482 0.979 -28.089 1.00 11.75 C ATOM 0 H ALA A 19 -24.577 1.363 -28.342 1.00 12.17 H new ATOM 0 HA ALA A 19 -23.104 1.110 -26.719 1.00 11.91 H new ATOM 0 HB1 ALA A 19 -20.723 0.878 -27.313 1.00 11.75 H new ATOM 0 HB2 ALA A 19 -21.781 -0.011 -28.434 1.00 11.75 H new ATOM 0 HB3 ALA A 19 -21.073 1.547 -28.925 1.00 11.75 H new ATOM 231 N GLU A 20 -23.129 4.028 -27.156 1.00 11.76 N ATOM 232 CA GLU A 20 -22.962 5.378 -26.628 1.00 11.81 C ATOM 233 C GLU A 20 -21.665 5.992 -27.143 1.00 11.36 C ATOM 234 O GLU A 20 -20.706 6.189 -26.390 1.00 11.31 O ATOM 235 CB GLU A 20 -22.994 5.370 -25.096 1.00 12.34 C ATOM 236 CG GLU A 20 -23.174 6.744 -24.480 1.00 12.69 C ATOM 237 CD GLU A 20 -23.137 6.710 -22.967 1.00 13.43 C ATOM 238 OE1 GLU A 20 -24.113 6.227 -22.356 1.00 13.82 O ATOM 239 OE2 GLU A 20 -22.143 7.177 -22.376 1.00 13.77 O1- ATOM 0 H GLU A 20 -23.973 3.913 -27.717 1.00 11.76 H new ATOM 0 HA GLU A 20 -23.793 5.991 -26.977 1.00 11.81 H new ATOM 0 HB2 GLU A 20 -23.806 4.723 -24.762 1.00 12.34 H new ATOM 0 HB3 GLU A 20 -22.066 4.934 -24.725 1.00 12.34 H new ATOM 0 HG2 GLU A 20 -22.390 7.408 -24.845 1.00 12.69 H new ATOM 0 HG3 GLU A 20 -24.125 7.164 -24.808 1.00 12.69 H new ATOM 246 N LEU A 21 -21.655 6.274 -28.449 1.00 11.26 N ATOM 247 CA LEU A 21 -20.495 6.836 -29.150 1.00 11.08 C ATOM 248 C LEU A 21 -19.397 5.797 -29.349 1.00 10.75 C ATOM 249 O LEU A 21 -18.795 5.737 -30.424 1.00 10.51 O ATOM 250 CB LEU A 21 -19.934 8.063 -28.422 1.00 11.53 C ATOM 251 CG LEU A 21 -20.717 9.357 -28.639 1.00 11.78 C ATOM 252 CD1 LEU A 21 -20.150 10.475 -27.778 1.00 11.96 C ATOM 253 CD2 LEU A 21 -20.683 9.748 -30.110 1.00 12.13 C ATOM 0 H LEU A 21 -22.460 6.117 -29.056 1.00 11.26 H new ATOM 0 HA LEU A 21 -20.848 7.151 -30.132 1.00 11.08 H new ATOM 0 HB2 LEU A 21 -19.903 7.850 -27.353 1.00 11.53 H new ATOM 0 HB3 LEU A 21 -18.905 8.220 -28.746 1.00 11.53 H new ATOM 0 HG LEU A 21 -21.753 9.191 -28.344 1.00 11.78 H new ATOM 0 HD11 LEU A 21 -20.720 11.389 -27.946 1.00 11.96 H new ATOM 0 HD12 LEU A 21 -20.216 10.194 -26.727 1.00 11.96 H new ATOM 0 HD13 LEU A 21 -19.106 10.645 -28.043 1.00 11.96 H new ATOM 0 HD21 LEU A 21 -21.244 10.671 -30.254 1.00 12.13 H new ATOM 0 HD22 LEU A 21 -19.650 9.898 -30.423 1.00 12.13 H new ATOM 0 HD23 LEU A 21 -21.131 8.954 -30.708 1.00 12.13 H new ATOM 265 N LYS A 22 -19.144 4.996 -28.313 1.00 10.97 N ATOM 266 CA LYS A 22 -18.124 3.947 -28.339 1.00 10.97 C ATOM 267 C LYS A 22 -16.712 4.538 -28.344 1.00 10.51 C ATOM 268 O LYS A 22 -15.946 4.351 -27.397 1.00 10.50 O ATOM 269 CB LYS A 22 -18.321 3.037 -29.552 1.00 11.77 C ATOM 270 CG LYS A 22 -17.361 1.863 -29.585 1.00 12.31 C ATOM 271 CD LYS A 22 -17.544 1.023 -30.836 1.00 13.08 C ATOM 272 CE LYS A 22 -16.666 -0.216 -30.805 1.00 13.66 C ATOM 273 NZ LYS A 22 -16.991 -1.097 -29.653 1.00 14.10 N1+ ATOM 0 H LYS A 22 -19.645 5.057 -27.426 1.00 10.97 H new ATOM 0 HA LYS A 22 -18.237 3.355 -27.431 1.00 10.97 H new ATOM 0 HB2 LYS A 22 -19.344 2.661 -29.553 1.00 11.77 H new ATOM 0 HB3 LYS A 22 -18.197 3.624 -30.462 1.00 11.77 H new ATOM 0 HG2 LYS A 22 -16.336 2.230 -29.540 1.00 12.31 H new ATOM 0 HG3 LYS A 22 -17.516 1.241 -28.703 1.00 12.31 H new ATOM 0 HD2 LYS A 22 -18.589 0.728 -30.928 1.00 13.08 H new ATOM 0 HD3 LYS A 22 -17.303 1.620 -31.715 1.00 13.08 H new ATOM 0 HE2 LYS A 22 -16.790 -0.772 -31.734 1.00 13.66 H new ATOM 0 HE3 LYS A 22 -15.619 0.082 -30.750 1.00 13.66 H new ATOM 0 HZ1 LYS A 22 -16.621 -2.053 -29.832 1.00 14.10 H new ATOM 0 HZ2 LYS A 22 -16.557 -0.714 -28.789 1.00 14.10 H new ATOM 0 HZ3 LYS A 22 -18.023 -1.142 -29.531 1.00 14.10 H new ATOM 287 N THR A 23 -16.381 5.266 -29.397 1.00 10.33 N ATOM 288 CA THR A 23 -15.033 5.755 -29.589 1.00 10.01 C ATOM 289 C THR A 23 -15.049 7.245 -29.904 1.00 10.01 C ATOM 290 O THR A 23 -16.113 7.867 -29.946 1.00 10.38 O ATOM 291 CB THR A 23 -14.314 4.963 -30.706 1.00 10.64 C ATOM 292 OG1 THR A 23 -12.923 5.312 -30.765 1.00 10.93 O ATOM 293 CG2 THR A 23 -14.961 5.214 -32.060 1.00 11.05 C ATOM 0 H THR A 23 -17.034 5.531 -30.134 1.00 10.33 H new ATOM 0 HA THR A 23 -14.478 5.606 -28.663 1.00 10.01 H new ATOM 0 HB THR A 23 -14.405 3.904 -30.466 1.00 10.64 H new ATOM 0 HG1 THR A 23 -12.487 4.799 -31.477 1.00 10.93 H new ATOM 0 HG21 THR A 23 -14.435 4.644 -32.826 1.00 11.05 H new ATOM 0 HG22 THR A 23 -16.005 4.901 -32.028 1.00 11.05 H new ATOM 0 HG23 THR A 23 -14.908 6.277 -32.297 1.00 11.05 H new ATOM 301 N GLY A 24 -13.878 7.810 -30.116 1.00 9.82 N ATOM 302 CA GLY A 24 -13.765 9.236 -30.292 1.00 10.05 C ATOM 303 C GLY A 24 -12.972 9.852 -29.181 1.00 9.39 C ATOM 304 O GLY A 24 -11.948 10.495 -29.415 1.00 9.61 O ATOM 0 H GLY A 24 -12.995 7.302 -30.170 1.00 9.82 H new ATOM 0 HA2 GLY A 24 -13.287 9.451 -31.248 1.00 10.05 H new ATOM 0 HA3 GLY A 24 -14.759 9.682 -30.325 1.00 10.05 H new ATOM 308 N LYS A 25 -13.433 9.630 -27.960 1.00 8.70 N ATOM 309 CA LYS A 25 -12.753 10.140 -26.795 1.00 8.11 C ATOM 310 C LYS A 25 -13.312 9.479 -25.542 1.00 7.19 C ATOM 311 O LYS A 25 -13.905 10.111 -24.668 1.00 6.94 O ATOM 312 CB LYS A 25 -12.786 11.682 -26.739 1.00 8.62 C ATOM 313 CG LYS A 25 -14.133 12.324 -26.410 1.00 9.02 C ATOM 314 CD LYS A 25 -15.164 12.098 -27.499 1.00 9.74 C ATOM 315 CE LYS A 25 -16.405 12.953 -27.279 1.00 10.22 C ATOM 316 NZ LYS A 25 -17.019 12.729 -25.941 1.00 10.38 N1+ ATOM 0 H LYS A 25 -14.279 9.097 -27.757 1.00 8.70 H new ATOM 0 HA LYS A 25 -11.696 9.880 -26.858 1.00 8.11 H new ATOM 0 HB2 LYS A 25 -12.060 12.012 -25.996 1.00 8.62 H new ATOM 0 HB3 LYS A 25 -12.452 12.066 -27.703 1.00 8.62 H new ATOM 0 HG2 LYS A 25 -14.506 11.917 -25.470 1.00 9.02 H new ATOM 0 HG3 LYS A 25 -13.995 13.395 -26.261 1.00 9.02 H new ATOM 0 HD2 LYS A 25 -14.727 12.332 -28.470 1.00 9.74 H new ATOM 0 HD3 LYS A 25 -15.446 11.045 -27.522 1.00 9.74 H new ATOM 0 HE2 LYS A 25 -16.141 14.005 -27.383 1.00 10.22 H new ATOM 0 HE3 LYS A 25 -17.138 12.730 -28.054 1.00 10.22 H new ATOM 0 HZ1 LYS A 25 -17.930 13.227 -25.889 1.00 10.38 H new ATOM 0 HZ2 LYS A 25 -17.172 11.711 -25.795 1.00 10.38 H new ATOM 0 HZ3 LYS A 25 -16.384 13.092 -25.202 1.00 10.38 H new ATOM 330 N ARG A 26 -13.120 8.177 -25.487 1.00 6.90 N ATOM 331 CA ARG A 26 -13.529 7.371 -24.350 1.00 6.23 C ATOM 332 C ARG A 26 -12.408 6.404 -24.000 1.00 5.83 C ATOM 333 O ARG A 26 -11.830 5.799 -24.895 1.00 6.27 O ATOM 334 CB ARG A 26 -14.811 6.608 -24.683 1.00 6.68 C ATOM 335 CG ARG A 26 -15.987 7.506 -25.019 1.00 7.16 C ATOM 336 CD ARG A 26 -17.300 6.752 -24.936 1.00 7.38 C ATOM 337 NE ARG A 26 -17.574 6.333 -23.565 1.00 7.54 N ATOM 338 CZ ARG A 26 -18.769 6.392 -22.992 1.00 7.99 C ATOM 339 NH1 ARG A 26 -19.835 6.747 -23.697 1.00 8.33 N1+ ATOM 340 NH2 ARG A 26 -18.901 6.077 -21.711 1.00 8.37 N ATOM 0 H ARG A 26 -12.674 7.643 -26.233 1.00 6.90 H new ATOM 0 HA ARG A 26 -13.729 8.015 -23.494 1.00 6.23 H new ATOM 0 HB2 ARG A 26 -14.619 5.945 -25.526 1.00 6.68 H new ATOM 0 HB3 ARG A 26 -15.078 5.977 -23.835 1.00 6.68 H new ATOM 0 HG2 ARG A 26 -16.008 8.353 -24.333 1.00 7.16 H new ATOM 0 HG3 ARG A 26 -15.862 7.912 -26.023 1.00 7.16 H new ATOM 0 HD2 ARG A 26 -18.111 7.385 -25.296 1.00 7.38 H new ATOM 0 HD3 ARG A 26 -17.264 5.879 -25.587 1.00 7.38 H new ATOM 0 HE ARG A 26 -16.797 5.972 -23.012 1.00 7.54 H new ATOM 0 HH11 ARG A 26 -19.739 6.977 -24.686 1.00 8.33 H new ATOM 0 HH12 ARG A 26 -20.751 6.790 -23.250 1.00 8.33 H new ATOM 0 HH21 ARG A 26 -18.085 5.791 -21.170 1.00 8.37 H new ATOM 0 HH22 ARG A 26 -19.818 6.121 -21.267 1.00 8.37 H new ATOM 354 N ILE A 27 -12.087 6.265 -22.719 1.00 5.15 N ATOM 355 CA ILE A 27 -10.929 5.464 -22.323 1.00 4.81 C ATOM 356 C ILE A 27 -11.021 4.043 -22.824 1.00 5.34 C ATOM 357 O ILE A 27 -11.902 3.269 -22.454 1.00 5.76 O ATOM 358 CB ILE A 27 -10.674 5.480 -20.806 1.00 4.32 C ATOM 359 CG1 ILE A 27 -10.181 6.859 -20.400 1.00 4.09 C ATOM 360 CG2 ILE A 27 -9.657 4.417 -20.409 1.00 4.22 C ATOM 361 CD1 ILE A 27 -8.926 7.285 -21.115 1.00 4.18 C ATOM 0 H ILE A 27 -12.601 6.688 -21.946 1.00 5.15 H new ATOM 0 HA ILE A 27 -10.073 5.941 -22.801 1.00 4.81 H new ATOM 0 HB ILE A 27 -11.607 5.255 -20.288 1.00 4.32 H new ATOM 0 HG12 ILE A 27 -10.966 7.589 -20.596 1.00 4.09 H new ATOM 0 HG13 ILE A 27 -9.998 6.869 -19.325 1.00 4.09 H new ATOM 0 HG21 ILE A 27 -9.496 4.452 -19.331 1.00 4.22 H new ATOM 0 HG22 ILE A 27 -10.032 3.432 -20.689 1.00 4.22 H new ATOM 0 HG23 ILE A 27 -8.714 4.606 -20.923 1.00 4.22 H new ATOM 0 HD11 ILE A 27 -8.633 8.278 -20.775 1.00 4.18 H new ATOM 0 HD12 ILE A 27 -8.126 6.577 -20.899 1.00 4.18 H new ATOM 0 HD13 ILE A 27 -9.109 7.308 -22.189 1.00 4.18 H new ATOM 373 N LEU A 28 -10.086 3.750 -23.689 1.00 5.52 N ATOM 374 CA LEU A 28 -9.987 2.458 -24.329 1.00 6.20 C ATOM 375 C LEU A 28 -8.661 1.788 -23.987 1.00 6.05 C ATOM 376 O LEU A 28 -8.588 0.569 -23.827 1.00 6.59 O ATOM 377 CB LEU A 28 -10.108 2.650 -25.837 1.00 6.86 C ATOM 378 CG LEU A 28 -11.524 2.926 -26.355 1.00 7.51 C ATOM 379 CD1 LEU A 28 -11.504 3.172 -27.856 1.00 8.22 C ATOM 380 CD2 LEU A 28 -12.456 1.769 -26.022 1.00 7.71 C ATOM 0 H LEU A 28 -9.361 4.408 -23.975 1.00 5.52 H new ATOM 0 HA LEU A 28 -10.789 1.813 -23.971 1.00 6.20 H new ATOM 0 HB2 LEU A 28 -9.464 3.478 -26.133 1.00 6.86 H new ATOM 0 HB3 LEU A 28 -9.727 1.757 -26.331 1.00 6.86 H new ATOM 0 HG LEU A 28 -11.898 3.822 -25.860 1.00 7.51 H new ATOM 0 HD11 LEU A 28 -12.518 3.366 -28.206 1.00 8.22 H new ATOM 0 HD12 LEU A 28 -10.873 4.033 -28.075 1.00 8.22 H new ATOM 0 HD13 LEU A 28 -11.107 2.293 -28.364 1.00 8.22 H new ATOM 0 HD21 LEU A 28 -13.455 1.987 -26.399 1.00 7.71 H new ATOM 0 HD22 LEU A 28 -12.083 0.856 -26.487 1.00 7.71 H new ATOM 0 HD23 LEU A 28 -12.497 1.635 -24.941 1.00 7.71 H new ATOM 392 N TYR A 29 -7.614 2.595 -23.866 1.00 5.47 N ATOM 393 CA TYR A 29 -6.269 2.085 -23.651 1.00 5.43 C ATOM 394 C TYR A 29 -5.339 3.231 -23.279 1.00 4.86 C ATOM 395 O TYR A 29 -5.766 4.380 -23.201 1.00 4.58 O ATOM 396 CB TYR A 29 -5.770 1.394 -24.913 1.00 6.20 C ATOM 397 CG TYR A 29 -5.434 2.339 -26.042 1.00 6.41 C ATOM 398 CD1 TYR A 29 -6.436 2.947 -26.783 1.00 6.76 C ATOM 399 CD2 TYR A 29 -4.115 2.626 -26.360 1.00 6.48 C ATOM 400 CE1 TYR A 29 -6.132 3.813 -27.815 1.00 7.24 C ATOM 401 CE2 TYR A 29 -3.801 3.490 -27.387 1.00 6.91 C ATOM 402 CZ TYR A 29 -4.810 4.081 -28.112 1.00 7.33 C ATOM 403 OH TYR A 29 -4.496 4.937 -29.140 1.00 7.99 O ATOM 0 H TYR A 29 -7.674 3.612 -23.914 1.00 5.47 H new ATOM 0 HA TYR A 29 -6.285 1.361 -22.836 1.00 5.43 H new ATOM 0 HB2 TYR A 29 -4.884 0.809 -24.668 1.00 6.20 H new ATOM 0 HB3 TYR A 29 -6.531 0.692 -25.255 1.00 6.20 H new ATOM 0 HD1 TYR A 29 -7.470 2.740 -26.550 1.00 6.76 H new ATOM 0 HD2 TYR A 29 -3.320 2.164 -25.793 1.00 6.48 H new ATOM 0 HE1 TYR A 29 -6.922 4.277 -28.386 1.00 7.24 H new ATOM 0 HE2 TYR A 29 -2.768 3.702 -27.621 1.00 6.91 H new ATOM 0 HH TYR A 29 -3.522 5.016 -29.214 1.00 7.99 H new ATOM 413 N TRP A 30 -4.074 2.904 -23.034 1.00 4.95 N ATOM 414 CA TRP A 30 -3.086 3.900 -22.649 1.00 4.73 C ATOM 415 C TRP A 30 -1.976 4.006 -23.673 1.00 5.18 C ATOM 416 O TRP A 30 -1.792 3.110 -24.493 1.00 5.61 O ATOM 417 CB TRP A 30 -2.473 3.584 -21.288 1.00 4.74 C ATOM 418 CG TRP A 30 -3.162 4.243 -20.141 1.00 4.48 C ATOM 419 CD1 TRP A 30 -2.639 5.196 -19.322 1.00 4.66 C ATOM 420 CD2 TRP A 30 -4.494 4.006 -19.685 1.00 4.33 C ATOM 421 NE1 TRP A 30 -3.562 5.560 -18.376 1.00 4.65 N ATOM 422 CE2 TRP A 30 -4.708 4.842 -18.579 1.00 4.37 C ATOM 423 CE3 TRP A 30 -5.528 3.164 -20.101 1.00 4.46 C ATOM 424 CZ2 TRP A 30 -5.908 4.862 -17.884 1.00 4.41 C ATOM 425 CZ3 TRP A 30 -6.717 3.184 -19.412 1.00 4.49 C ATOM 426 CH2 TRP A 30 -6.899 4.028 -18.314 1.00 4.40 C ATOM 0 H TRP A 30 -3.710 1.953 -23.096 1.00 4.95 H new ATOM 0 HA TRP A 30 -3.614 4.852 -22.592 1.00 4.73 H new ATOM 0 HB2 TRP A 30 -2.489 2.505 -21.136 1.00 4.74 H new ATOM 0 HB3 TRP A 30 -1.427 3.889 -21.293 1.00 4.74 H new ATOM 0 HD1 TRP A 30 -1.643 5.605 -19.405 1.00 4.66 H new ATOM 0 HE1 TRP A 30 -3.418 6.253 -17.641 1.00 4.65 H new ATOM 0 HE3 TRP A 30 -5.395 2.509 -20.949 1.00 4.46 H new ATOM 0 HZ2 TRP A 30 -6.053 5.513 -17.035 1.00 4.41 H new ATOM 0 HZ3 TRP A 30 -7.523 2.537 -19.724 1.00 4.49 H new ATOM 0 HH2 TRP A 30 -7.845 4.020 -17.794 1.00 4.40 H new ATOM 437 N ARG A 31 -1.222 5.086 -23.580 1.00 5.31 N ATOM 438 CA ARG A 31 -0.092 5.326 -24.450 1.00 5.89 C ATOM 439 C ARG A 31 1.013 6.044 -23.690 1.00 6.18 C ATOM 440 O ARG A 31 0.858 6.372 -22.517 1.00 6.15 O ATOM 441 CB ARG A 31 -0.502 6.161 -25.666 1.00 6.39 C ATOM 442 CG ARG A 31 -0.971 7.566 -25.325 1.00 6.58 C ATOM 443 CD ARG A 31 -1.412 8.318 -26.570 1.00 7.25 C ATOM 444 NE ARG A 31 -1.657 9.733 -26.288 1.00 7.68 N ATOM 445 CZ ARG A 31 -1.513 10.712 -27.180 1.00 8.49 C ATOM 446 NH1 ARG A 31 -1.135 10.436 -28.424 1.00 8.90 N1+ ATOM 447 NH2 ARG A 31 -1.752 11.966 -26.825 1.00 9.06 N ATOM 0 H ARG A 31 -1.380 5.824 -22.894 1.00 5.31 H new ATOM 0 HA ARG A 31 0.274 4.360 -24.798 1.00 5.89 H new ATOM 0 HB2 ARG A 31 0.345 6.228 -26.349 1.00 6.39 H new ATOM 0 HB3 ARG A 31 -1.300 5.642 -26.197 1.00 6.39 H new ATOM 0 HG2 ARG A 31 -1.798 7.514 -24.617 1.00 6.58 H new ATOM 0 HG3 ARG A 31 -0.165 8.112 -24.834 1.00 6.58 H new ATOM 0 HD2 ARG A 31 -0.646 8.228 -27.340 1.00 7.25 H new ATOM 0 HD3 ARG A 31 -2.319 7.864 -26.968 1.00 7.25 H new ATOM 0 HE ARG A 31 -1.958 9.986 -25.347 1.00 7.68 H new ATOM 0 HH11 ARG A 31 -0.954 9.471 -28.700 1.00 8.90 H new ATOM 0 HH12 ARG A 31 -1.026 11.189 -29.103 1.00 8.90 H new ATOM 0 HH21 ARG A 31 -2.045 12.179 -25.872 1.00 9.06 H new ATOM 0 HH22 ARG A 31 -1.643 12.718 -27.505 1.00 9.06 H new ATOM 461 N ASP A 32 2.124 6.272 -24.356 1.00 6.64 N ATOM 462 CA ASP A 32 3.171 7.125 -23.821 1.00 7.19 C ATOM 463 C ASP A 32 3.443 8.218 -24.835 1.00 7.82 C ATOM 464 O ASP A 32 3.455 7.960 -26.041 1.00 8.07 O ATOM 465 CB ASP A 32 4.459 6.336 -23.560 1.00 7.56 C ATOM 466 CG ASP A 32 5.479 7.125 -22.764 1.00 7.94 C ATOM 467 OD1 ASP A 32 6.100 8.037 -23.335 1.00 8.31 O1- ATOM 468 OD2 ASP A 32 5.654 6.840 -21.558 1.00 8.10 O ATOM 0 H ASP A 32 2.329 5.878 -25.274 1.00 6.64 H new ATOM 0 HA ASP A 32 2.843 7.543 -22.869 1.00 7.19 H new ATOM 0 HB2 ASP A 32 4.216 5.419 -23.023 1.00 7.56 H new ATOM 0 HB3 ASP A 32 4.898 6.040 -24.513 1.00 7.56 H new ATOM 473 N PRO A 33 3.630 9.458 -24.370 1.00 8.28 N ATOM 474 CA PRO A 33 3.925 10.590 -25.249 1.00 9.11 C ATOM 475 C PRO A 33 5.221 10.399 -26.047 1.00 9.74 C ATOM 476 O PRO A 33 5.477 11.127 -27.007 1.00 10.41 O ATOM 477 CB PRO A 33 4.056 11.785 -24.301 1.00 9.60 C ATOM 478 CG PRO A 33 3.464 11.350 -23.002 1.00 8.98 C ATOM 479 CD PRO A 33 3.549 9.852 -22.955 1.00 8.23 C ATOM 0 HA PRO A 33 3.144 10.716 -25.999 1.00 9.11 H new ATOM 0 HB2 PRO A 33 5.100 12.071 -24.177 1.00 9.60 H new ATOM 0 HB3 PRO A 33 3.532 12.655 -24.696 1.00 9.60 H new ATOM 0 HG2 PRO A 33 4.005 11.792 -22.165 1.00 8.98 H new ATOM 0 HG3 PRO A 33 2.428 11.679 -22.922 1.00 8.98 H new ATOM 0 HD2 PRO A 33 4.424 9.519 -22.397 1.00 8.23 H new ATOM 0 HD3 PRO A 33 2.676 9.417 -22.469 1.00 8.23 H new ATOM 487 N MET A 34 6.037 9.427 -25.649 1.00 9.60 N ATOM 488 CA MET A 34 7.253 9.100 -26.388 1.00 10.19 C ATOM 489 C MET A 34 7.080 7.862 -27.258 1.00 9.99 C ATOM 490 O MET A 34 7.993 7.487 -27.991 1.00 10.53 O ATOM 491 CB MET A 34 8.435 8.854 -25.452 1.00 10.40 C ATOM 492 CG MET A 34 9.192 10.101 -25.034 1.00 10.85 C ATOM 493 SD MET A 34 8.984 10.523 -23.295 1.00 10.55 S ATOM 494 CE MET A 34 7.314 11.146 -23.285 1.00 10.30 C ATOM 0 H MET A 34 5.879 8.853 -24.821 1.00 9.60 H new ATOM 0 HA MET A 34 7.452 9.965 -27.020 1.00 10.19 H new ATOM 0 HB2 MET A 34 8.071 8.351 -24.556 1.00 10.40 H new ATOM 0 HB3 MET A 34 9.130 8.172 -25.941 1.00 10.40 H new ATOM 0 HG2 MET A 34 10.253 9.958 -25.240 1.00 10.85 H new ATOM 0 HG3 MET A 34 8.859 10.940 -25.645 1.00 10.85 H new ATOM 0 HE1 MET A 34 7.224 11.935 -22.538 1.00 10.30 H new ATOM 0 HE2 MET A 34 7.070 11.548 -24.268 1.00 10.30 H new ATOM 0 HE3 MET A 34 6.625 10.337 -23.043 1.00 10.30 H new ATOM 504 N VAL A 35 5.916 7.232 -27.210 1.00 9.32 N ATOM 505 CA VAL A 35 5.700 6.023 -28.007 1.00 9.27 C ATOM 506 C VAL A 35 4.453 6.101 -28.928 1.00 9.25 C ATOM 507 O VAL A 35 3.774 5.094 -29.151 1.00 8.98 O ATOM 508 CB VAL A 35 5.617 4.791 -27.077 1.00 8.70 C ATOM 509 CG1 VAL A 35 6.760 4.818 -26.078 1.00 8.84 C ATOM 510 CG2 VAL A 35 4.281 4.714 -26.359 1.00 7.95 C ATOM 0 H VAL A 35 5.120 7.525 -26.643 1.00 9.32 H new ATOM 0 HA VAL A 35 6.557 5.928 -28.674 1.00 9.27 H new ATOM 0 HB VAL A 35 5.703 3.898 -27.696 1.00 8.70 H new ATOM 0 HG11 VAL A 35 6.694 3.947 -25.426 1.00 8.84 H new ATOM 0 HG12 VAL A 35 7.710 4.801 -26.612 1.00 8.84 H new ATOM 0 HG13 VAL A 35 6.697 5.726 -25.478 1.00 8.84 H new ATOM 0 HG21 VAL A 35 4.264 3.834 -25.716 1.00 7.95 H new ATOM 0 HG22 VAL A 35 4.141 5.609 -25.753 1.00 7.95 H new ATOM 0 HG23 VAL A 35 3.477 4.643 -27.092 1.00 7.95 H new ATOM 520 N PRO A 36 4.165 7.272 -29.542 1.00 9.74 N ATOM 521 CA PRO A 36 2.954 7.455 -30.359 1.00 9.85 C ATOM 522 C PRO A 36 2.878 6.465 -31.525 1.00 10.22 C ATOM 523 O PRO A 36 3.864 6.251 -32.235 1.00 10.95 O ATOM 524 CB PRO A 36 3.089 8.887 -30.888 1.00 10.65 C ATOM 525 CG PRO A 36 4.538 9.194 -30.780 1.00 11.10 C ATOM 526 CD PRO A 36 4.994 8.486 -29.547 1.00 10.41 C ATOM 0 HA PRO A 36 2.048 7.283 -29.778 1.00 9.85 H new ATOM 0 HB2 PRO A 36 2.744 8.962 -31.919 1.00 10.65 H new ATOM 0 HB3 PRO A 36 2.492 9.584 -30.300 1.00 10.65 H new ATOM 0 HG2 PRO A 36 5.081 8.846 -31.658 1.00 11.10 H new ATOM 0 HG3 PRO A 36 4.709 10.268 -30.704 1.00 11.10 H new ATOM 0 HD2 PRO A 36 6.057 8.249 -29.587 1.00 10.41 H new ATOM 0 HD3 PRO A 36 4.834 9.088 -28.653 1.00 10.41 H new ATOM 534 N GLY A 37 1.716 5.849 -31.706 1.00 9.82 N ATOM 535 CA GLY A 37 1.550 4.866 -32.762 1.00 10.31 C ATOM 536 C GLY A 37 1.388 3.474 -32.195 1.00 9.86 C ATOM 537 O GLY A 37 1.119 2.513 -32.917 1.00 10.21 O ATOM 0 H GLY A 37 0.884 6.013 -31.140 1.00 9.82 H new ATOM 0 HA2 GLY A 37 0.678 5.120 -33.364 1.00 10.31 H new ATOM 0 HA3 GLY A 37 2.414 4.892 -33.426 1.00 10.31 H new ATOM 541 N GLN A 38 1.554 3.379 -30.890 1.00 9.21 N ATOM 542 CA GLN A 38 1.385 2.130 -30.173 1.00 8.88 C ATOM 543 C GLN A 38 -0.083 1.972 -29.778 1.00 8.38 C ATOM 544 O GLN A 38 -0.900 2.843 -30.077 1.00 8.00 O ATOM 545 CB GLN A 38 2.316 2.120 -28.945 1.00 8.51 C ATOM 546 CG GLN A 38 1.602 2.269 -27.619 1.00 8.11 C ATOM 547 CD GLN A 38 0.792 3.540 -27.504 1.00 8.18 C ATOM 548 OE1 GLN A 38 -0.277 3.539 -26.911 1.00 8.47 O ATOM 549 NE2 GLN A 38 1.307 4.626 -28.039 1.00 8.21 N ATOM 0 H GLN A 38 1.810 4.167 -30.296 1.00 9.21 H new ATOM 0 HA GLN A 38 1.655 1.284 -30.805 1.00 8.88 H new ATOM 0 HB2 GLN A 38 2.879 1.186 -28.938 1.00 8.51 H new ATOM 0 HB3 GLN A 38 3.040 2.928 -29.047 1.00 8.51 H new ATOM 0 HG2 GLN A 38 0.942 1.414 -27.474 1.00 8.11 H new ATOM 0 HG3 GLN A 38 2.338 2.244 -26.815 1.00 8.11 H new ATOM 0 HE21 GLN A 38 2.203 4.580 -28.525 1.00 8.21 H new ATOM 0 HE22 GLN A 38 0.811 5.514 -27.968 1.00 8.21 H new ATOM 558 N ARG A 39 -0.420 0.878 -29.125 1.00 8.53 N ATOM 559 CA ARG A 39 -1.722 0.727 -28.538 1.00 8.21 C ATOM 560 C ARG A 39 -1.639 -0.304 -27.418 1.00 8.04 C ATOM 561 O ARG A 39 -1.739 -1.506 -27.660 1.00 8.70 O ATOM 562 CB ARG A 39 -2.712 0.300 -29.623 1.00 8.96 C ATOM 563 CG ARG A 39 -4.159 0.539 -29.253 1.00 8.86 C ATOM 564 CD ARG A 39 -4.668 -0.506 -28.277 1.00 9.10 C ATOM 565 NE ARG A 39 -4.674 -1.845 -28.865 1.00 10.02 N ATOM 566 CZ ARG A 39 -5.069 -2.941 -28.221 1.00 10.60 C ATOM 567 NH1 ARG A 39 -5.506 -2.859 -26.971 1.00 10.42 N1+ ATOM 568 NH2 ARG A 39 -5.028 -4.122 -28.830 1.00 11.51 N ATOM 0 H ARG A 39 0.200 0.079 -28.991 1.00 8.53 H new ATOM 0 HA ARG A 39 -2.070 1.669 -28.113 1.00 8.21 H new ATOM 0 HB2 ARG A 39 -2.487 0.842 -30.542 1.00 8.96 H new ATOM 0 HB3 ARG A 39 -2.571 -0.760 -29.835 1.00 8.96 H new ATOM 0 HG2 ARG A 39 -4.263 1.530 -28.812 1.00 8.86 H new ATOM 0 HG3 ARG A 39 -4.772 0.525 -30.154 1.00 8.86 H new ATOM 0 HD2 ARG A 39 -4.042 -0.504 -27.385 1.00 9.10 H new ATOM 0 HD3 ARG A 39 -5.677 -0.245 -27.959 1.00 9.10 H new ATOM 0 HE ARG A 39 -4.356 -1.945 -29.829 1.00 10.02 H new ATOM 0 HH11 ARG A 39 -5.540 -1.954 -26.501 1.00 10.42 H new ATOM 0 HH12 ARG A 39 -5.808 -3.701 -26.480 1.00 10.42 H new ATOM 0 HH21 ARG A 39 -4.694 -4.189 -29.791 1.00 11.51 H new ATOM 0 HH22 ARG A 39 -5.331 -4.961 -28.336 1.00 11.51 H new ATOM 582 N PHE A 40 -1.423 0.173 -26.194 1.00 7.31 N ATOM 583 CA PHE A 40 -1.283 -0.721 -25.052 1.00 7.34 C ATOM 584 C PHE A 40 -2.635 -1.292 -24.672 1.00 7.47 C ATOM 585 O PHE A 40 -3.650 -0.605 -24.725 1.00 7.06 O ATOM 586 CB PHE A 40 -0.678 0.018 -23.861 1.00 6.76 C ATOM 587 CG PHE A 40 0.725 0.491 -24.097 1.00 6.92 C ATOM 588 CD1 PHE A 40 1.783 -0.395 -24.042 1.00 6.93 C ATOM 589 CD2 PHE A 40 0.985 1.821 -24.380 1.00 7.27 C ATOM 590 CE1 PHE A 40 3.078 0.031 -24.264 1.00 7.26 C ATOM 591 CE2 PHE A 40 2.277 2.254 -24.603 1.00 7.50 C ATOM 592 CZ PHE A 40 3.321 1.380 -24.527 1.00 7.49 C ATOM 0 H PHE A 40 -1.342 1.165 -25.971 1.00 7.31 H new ATOM 0 HA PHE A 40 -0.615 -1.536 -25.331 1.00 7.34 H new ATOM 0 HB2 PHE A 40 -1.306 0.876 -23.619 1.00 6.76 H new ATOM 0 HB3 PHE A 40 -0.689 -0.640 -22.992 1.00 6.76 H new ATOM 0 HD1 PHE A 40 1.595 -1.436 -23.822 1.00 6.93 H new ATOM 0 HD2 PHE A 40 0.169 2.527 -24.427 1.00 7.27 H new ATOM 0 HE1 PHE A 40 3.896 -0.674 -24.234 1.00 7.26 H new ATOM 0 HE2 PHE A 40 2.462 3.292 -24.839 1.00 7.50 H new ATOM 0 HZ PHE A 40 4.333 1.730 -24.670 1.00 7.49 H new ATOM 602 N ASP A 41 -2.616 -2.563 -24.282 1.00 8.18 N ATOM 603 CA ASP A 41 -3.822 -3.321 -23.974 1.00 8.62 C ATOM 604 C ASP A 41 -4.522 -2.726 -22.778 1.00 8.07 C ATOM 605 O ASP A 41 -5.742 -2.807 -22.662 1.00 8.18 O ATOM 606 CB ASP A 41 -3.461 -4.776 -23.668 1.00 9.62 C ATOM 607 CG ASP A 41 -2.927 -5.518 -24.870 1.00 10.23 C ATOM 608 OD1 ASP A 41 -1.742 -5.326 -25.218 1.00 10.48 O1- ATOM 609 OD2 ASP A 41 -3.685 -6.306 -25.471 1.00 10.61 O ATOM 0 H ASP A 41 -1.756 -3.099 -24.170 1.00 8.18 H new ATOM 0 HA ASP A 41 -4.485 -3.281 -24.838 1.00 8.62 H new ATOM 0 HB2 ASP A 41 -2.716 -4.800 -22.873 1.00 9.62 H new ATOM 0 HB3 ASP A 41 -4.344 -5.292 -23.292 1.00 9.62 H new ATOM 614 N LYS A 42 -3.737 -2.141 -21.885 1.00 7.60 N ATOM 615 CA LYS A 42 -4.263 -1.565 -20.664 1.00 7.23 C ATOM 616 C LYS A 42 -3.243 -0.648 -19.990 1.00 6.69 C ATOM 617 O LYS A 42 -2.065 -0.684 -20.349 1.00 6.78 O ATOM 618 CB LYS A 42 -4.757 -2.674 -19.711 1.00 8.14 C ATOM 619 CG LYS A 42 -3.889 -3.931 -19.694 1.00 8.90 C ATOM 620 CD LYS A 42 -2.552 -3.719 -18.999 1.00 9.77 C ATOM 621 CE LYS A 42 -2.708 -3.640 -17.490 1.00 10.52 C ATOM 622 NZ LYS A 42 -1.407 -3.392 -16.815 1.00 10.91 N1+ ATOM 0 H LYS A 42 -2.726 -2.054 -21.988 1.00 7.60 H new ATOM 0 HA LYS A 42 -5.119 -0.943 -20.924 1.00 7.23 H new ATOM 0 HB2 LYS A 42 -4.808 -2.270 -18.700 1.00 8.14 H new ATOM 0 HB3 LYS A 42 -5.772 -2.953 -19.994 1.00 8.14 H new ATOM 0 HG2 LYS A 42 -4.430 -4.733 -19.192 1.00 8.90 H new ATOM 0 HG3 LYS A 42 -3.712 -4.258 -20.719 1.00 8.90 H new ATOM 0 HD2 LYS A 42 -1.877 -4.536 -19.252 1.00 9.77 H new ATOM 0 HD3 LYS A 42 -2.093 -2.801 -19.366 1.00 9.77 H new ATOM 0 HE2 LYS A 42 -3.407 -2.842 -17.238 1.00 10.52 H new ATOM 0 HE3 LYS A 42 -3.139 -4.570 -17.119 1.00 10.52 H new ATOM 0 HZ1 LYS A 42 -1.535 -3.445 -15.784 1.00 10.91 H new ATOM 0 HZ2 LYS A 42 -0.717 -4.110 -17.116 1.00 10.91 H new ATOM 0 HZ3 LYS A 42 -1.057 -2.447 -17.072 1.00 10.91 H new ATOM 636 N PRO A 43 -3.676 0.199 -19.040 1.00 6.27 N ATOM 637 CA PRO A 43 -2.789 1.112 -18.290 1.00 6.04 C ATOM 638 C PRO A 43 -1.566 0.407 -17.679 1.00 6.80 C ATOM 639 O PRO A 43 -1.460 -0.824 -17.692 1.00 7.51 O ATOM 640 CB PRO A 43 -3.710 1.673 -17.187 1.00 6.00 C ATOM 641 CG PRO A 43 -4.892 0.761 -17.178 1.00 6.35 C ATOM 642 CD PRO A 43 -5.067 0.356 -18.610 1.00 6.19 C ATOM 0 HA PRO A 43 -2.358 1.875 -18.938 1.00 6.04 H new ATOM 0 HB2 PRO A 43 -3.209 1.681 -16.219 1.00 6.00 H new ATOM 0 HB3 PRO A 43 -4.004 2.700 -17.402 1.00 6.00 H new ATOM 0 HG2 PRO A 43 -4.720 -0.105 -16.539 1.00 6.35 H new ATOM 0 HG3 PRO A 43 -5.780 1.266 -16.797 1.00 6.35 H new ATOM 0 HD2 PRO A 43 -5.634 -0.570 -18.708 1.00 6.19 H new ATOM 0 HD3 PRO A 43 -5.593 1.115 -19.190 1.00 6.19 H new ATOM 650 N GLY A 44 -0.626 1.187 -17.166 1.00 6.81 N ATOM 651 CA GLY A 44 0.540 0.604 -16.529 1.00 7.59 C ATOM 652 C GLY A 44 1.797 1.400 -16.774 1.00 7.56 C ATOM 653 O GLY A 44 1.734 2.584 -17.097 1.00 7.08 O ATOM 0 H GLY A 44 -0.648 2.207 -17.178 1.00 6.81 H new ATOM 0 HA2 GLY A 44 0.364 0.532 -15.456 1.00 7.59 H new ATOM 0 HA3 GLY A 44 0.681 -0.412 -16.898 1.00 7.59 H new ATOM 657 N LYS A 45 2.942 0.752 -16.609 1.00 8.20 N ATOM 658 CA LYS A 45 4.226 1.391 -16.836 1.00 8.37 C ATOM 659 C LYS A 45 4.697 1.087 -18.251 1.00 8.15 C ATOM 660 O LYS A 45 4.458 0.004 -18.786 1.00 8.27 O ATOM 661 CB LYS A 45 5.262 0.896 -15.825 1.00 9.30 C ATOM 662 CG LYS A 45 6.579 1.669 -15.871 1.00 9.65 C ATOM 663 CD LYS A 45 7.767 0.746 -16.015 1.00 10.42 C ATOM 664 CE LYS A 45 7.834 -0.293 -14.905 1.00 11.07 C ATOM 665 NZ LYS A 45 8.100 0.323 -13.579 1.00 11.68 N1+ ATOM 0 H LYS A 45 3.005 -0.223 -16.316 1.00 8.20 H new ATOM 0 HA LYS A 45 4.112 2.468 -16.710 1.00 8.37 H new ATOM 0 HB2 LYS A 45 4.842 0.969 -14.822 1.00 9.30 H new ATOM 0 HB3 LYS A 45 5.463 -0.159 -16.010 1.00 9.30 H new ATOM 0 HG2 LYS A 45 6.560 2.370 -16.706 1.00 9.65 H new ATOM 0 HG3 LYS A 45 6.686 2.260 -14.961 1.00 9.65 H new ATOM 0 HD2 LYS A 45 7.716 0.240 -16.979 1.00 10.42 H new ATOM 0 HD3 LYS A 45 8.684 1.336 -16.013 1.00 10.42 H new ATOM 0 HE2 LYS A 45 6.894 -0.843 -14.867 1.00 11.07 H new ATOM 0 HE3 LYS A 45 8.617 -1.016 -15.132 1.00 11.07 H new ATOM 0 HZ1 LYS A 45 8.155 -0.422 -12.855 1.00 11.68 H new ATOM 0 HZ2 LYS A 45 9.001 0.841 -13.611 1.00 11.68 H new ATOM 0 HZ3 LYS A 45 7.331 0.981 -13.341 1.00 11.68 H new ATOM 679 N SER A 46 5.346 2.066 -18.840 1.00 8.03 N ATOM 680 CA SER A 46 5.859 1.987 -20.189 1.00 7.98 C ATOM 681 C SER A 46 6.950 0.925 -20.322 1.00 8.64 C ATOM 682 O SER A 46 7.734 0.740 -19.397 1.00 9.20 O ATOM 683 CB SER A 46 6.425 3.345 -20.513 1.00 8.03 C ATOM 684 OG SER A 46 7.311 3.729 -19.476 1.00 8.36 O ATOM 0 H SER A 46 5.536 2.959 -18.385 1.00 8.03 H new ATOM 0 HA SER A 46 5.061 1.703 -20.875 1.00 7.98 H new ATOM 0 HB2 SER A 46 6.951 3.317 -21.468 1.00 8.03 H new ATOM 0 HB3 SER A 46 5.622 4.075 -20.613 1.00 8.03 H new ATOM 0 HG SER A 46 7.716 2.930 -19.079 1.00 8.36 H new ATOM 690 N PRO A 47 7.031 0.230 -21.466 1.00 8.70 N ATOM 691 CA PRO A 47 8.098 -0.735 -21.718 1.00 9.38 C ATOM 692 C PRO A 47 9.344 -0.097 -22.348 1.00 9.63 C ATOM 693 O PRO A 47 10.449 -0.631 -22.237 1.00 10.25 O ATOM 694 CB PRO A 47 7.441 -1.705 -22.689 1.00 9.45 C ATOM 695 CG PRO A 47 6.499 -0.862 -23.480 1.00 8.81 C ATOM 696 CD PRO A 47 6.071 0.281 -22.585 1.00 8.26 C ATOM 0 HA PRO A 47 8.465 -1.195 -20.800 1.00 9.38 H new ATOM 0 HB2 PRO A 47 8.180 -2.184 -23.331 1.00 9.45 H new ATOM 0 HB3 PRO A 47 6.914 -2.500 -22.161 1.00 9.45 H new ATOM 0 HG2 PRO A 47 6.982 -0.486 -24.382 1.00 8.81 H new ATOM 0 HG3 PRO A 47 5.636 -1.445 -23.801 1.00 8.81 H new ATOM 0 HD2 PRO A 47 6.116 1.237 -23.107 1.00 8.26 H new ATOM 0 HD3 PRO A 47 5.045 0.155 -22.238 1.00 8.26 H new ATOM 704 N TYR A 48 9.172 1.057 -22.989 1.00 9.26 N ATOM 705 CA TYR A 48 10.270 1.735 -23.655 1.00 9.61 C ATOM 706 C TYR A 48 11.005 2.614 -22.676 1.00 9.96 C ATOM 707 O TYR A 48 12.120 3.068 -22.909 1.00 10.49 O ATOM 708 CB TYR A 48 9.738 2.596 -24.779 1.00 9.34 C ATOM 709 CG TYR A 48 9.026 1.817 -25.850 1.00 9.17 C ATOM 710 CD1 TYR A 48 9.730 1.274 -26.913 1.00 9.63 C ATOM 711 CD2 TYR A 48 7.659 1.631 -25.801 1.00 8.69 C ATOM 712 CE1 TYR A 48 9.088 0.562 -27.905 1.00 9.70 C ATOM 713 CE2 TYR A 48 7.001 0.919 -26.785 1.00 8.75 C ATOM 714 CZ TYR A 48 7.709 0.369 -27.815 1.00 9.30 C ATOM 715 OH TYR A 48 7.068 -0.317 -28.819 1.00 9.57 O ATOM 0 H TYR A 48 8.276 1.540 -23.059 1.00 9.26 H new ATOM 0 HA TYR A 48 10.950 0.983 -24.055 1.00 9.61 H new ATOM 0 HB2 TYR A 48 9.054 3.337 -24.365 1.00 9.34 H new ATOM 0 HB3 TYR A 48 10.566 3.143 -25.229 1.00 9.34 H new ATOM 0 HD1 TYR A 48 10.800 1.411 -26.966 1.00 9.63 H new ATOM 0 HD2 TYR A 48 7.095 2.049 -24.980 1.00 8.69 H new ATOM 0 HE1 TYR A 48 9.644 0.160 -28.739 1.00 9.70 H new ATOM 0 HE2 TYR A 48 5.929 0.798 -26.740 1.00 8.75 H new ATOM 0 HH TYR A 48 6.111 -0.373 -28.617 1.00 9.57 H new ATOM 725 N MET A 49 10.342 2.838 -21.582 1.00 9.74 N ATOM 726 CA MET A 49 10.796 3.754 -20.564 1.00 10.23 C ATOM 727 C MET A 49 10.398 3.214 -19.198 1.00 10.20 C ATOM 728 O MET A 49 10.082 2.028 -19.078 1.00 9.87 O ATOM 729 CB MET A 49 10.168 5.112 -20.860 1.00 10.28 C ATOM 730 CG MET A 49 8.841 4.949 -21.576 1.00 10.38 C ATOM 731 SD MET A 49 8.529 6.140 -22.875 1.00 10.09 S ATOM 732 CE MET A 49 10.038 5.987 -23.823 1.00 9.55 C ATOM 0 H MET A 49 9.455 2.385 -21.362 1.00 9.74 H new ATOM 0 HA MET A 49 11.881 3.863 -20.562 1.00 10.23 H new ATOM 0 HB2 MET A 49 10.019 5.659 -19.929 1.00 10.28 H new ATOM 0 HB3 MET A 49 10.846 5.705 -21.473 1.00 10.28 H new ATOM 0 HG2 MET A 49 8.797 3.948 -22.004 1.00 10.38 H new ATOM 0 HG3 MET A 49 8.039 5.017 -20.841 1.00 10.38 H new ATOM 0 HE1 MET A 49 9.805 6.028 -24.887 1.00 9.55 H new ATOM 0 HE2 MET A 49 10.712 6.804 -23.568 1.00 9.55 H new ATOM 0 HE3 MET A 49 10.518 5.036 -23.593 1.00 9.55 H new ATOM 742 N ASP A 50 10.433 4.044 -18.171 1.00 10.69 N ATOM 743 CA ASP A 50 9.978 3.629 -16.859 1.00 10.83 C ATOM 744 C ASP A 50 9.070 4.675 -16.250 1.00 10.64 C ATOM 745 O ASP A 50 9.304 5.169 -15.151 1.00 11.23 O ATOM 746 CB ASP A 50 11.149 3.319 -15.928 1.00 11.76 C ATOM 747 CG ASP A 50 12.165 4.444 -15.850 1.00 12.21 C ATOM 748 OD1 ASP A 50 12.979 4.588 -16.788 1.00 12.33 O1- ATOM 749 OD2 ASP A 50 12.156 5.194 -14.854 1.00 12.54 O ATOM 0 H ASP A 50 10.771 5.005 -18.221 1.00 10.69 H new ATOM 0 HA ASP A 50 9.408 2.709 -16.986 1.00 10.83 H new ATOM 0 HB2 ASP A 50 10.766 3.114 -14.928 1.00 11.76 H new ATOM 0 HB3 ASP A 50 11.647 2.412 -16.270 1.00 11.76 H new ATOM 754 N MET A 51 8.013 4.982 -16.967 1.00 9.87 N ATOM 755 CA MET A 51 7.031 5.940 -16.509 1.00 9.64 C ATOM 756 C MET A 51 5.646 5.364 -16.720 1.00 8.84 C ATOM 757 O MET A 51 5.420 4.616 -17.667 1.00 8.36 O ATOM 758 CB MET A 51 7.194 7.281 -17.244 1.00 9.70 C ATOM 759 CG MET A 51 7.432 7.166 -18.744 1.00 9.43 C ATOM 760 SD MET A 51 7.790 8.769 -19.497 1.00 9.38 S ATOM 761 CE MET A 51 6.131 9.374 -19.797 1.00 9.04 C ATOM 0 H MET A 51 7.810 4.577 -17.881 1.00 9.87 H new ATOM 0 HA MET A 51 7.178 6.134 -15.447 1.00 9.64 H new ATOM 0 HB2 MET A 51 6.299 7.881 -17.078 1.00 9.70 H new ATOM 0 HB3 MET A 51 8.028 7.823 -16.799 1.00 9.70 H new ATOM 0 HG2 MET A 51 8.263 6.485 -18.928 1.00 9.43 H new ATOM 0 HG3 MET A 51 6.552 6.731 -19.218 1.00 9.43 H new ATOM 0 HE1 MET A 51 6.054 9.732 -20.824 1.00 9.04 H new ATOM 0 HE2 MET A 51 5.415 8.567 -19.639 1.00 9.04 H new ATOM 0 HE3 MET A 51 5.912 10.192 -19.111 1.00 9.04 H new ATOM 771 N PRO A 52 4.723 5.626 -15.791 1.00 8.77 N ATOM 772 CA PRO A 52 3.340 5.211 -15.953 1.00 8.04 C ATOM 773 C PRO A 52 2.721 5.876 -17.165 1.00 7.35 C ATOM 774 O PRO A 52 2.849 7.089 -17.344 1.00 7.56 O ATOM 775 CB PRO A 52 2.652 5.671 -14.666 1.00 8.35 C ATOM 776 CG PRO A 52 3.565 6.685 -14.071 1.00 9.16 C ATOM 777 CD PRO A 52 4.953 6.328 -14.521 1.00 9.51 C ATOM 0 HA PRO A 52 3.242 4.137 -16.113 1.00 8.04 H new ATOM 0 HB2 PRO A 52 1.672 6.100 -14.876 1.00 8.35 H new ATOM 0 HB3 PRO A 52 2.495 4.835 -13.984 1.00 8.35 H new ATOM 0 HG2 PRO A 52 3.297 7.689 -14.401 1.00 9.16 H new ATOM 0 HG3 PRO A 52 3.496 6.678 -12.983 1.00 9.16 H new ATOM 0 HD2 PRO A 52 5.573 7.214 -14.657 1.00 9.51 H new ATOM 0 HD3 PRO A 52 5.461 5.692 -13.796 1.00 9.51 H new ATOM 785 N LEU A 53 2.058 5.081 -17.986 1.00 6.71 N ATOM 786 CA LEU A 53 1.519 5.560 -19.249 1.00 6.20 C ATOM 787 C LEU A 53 0.492 6.668 -19.044 1.00 5.97 C ATOM 788 O LEU A 53 -0.041 6.855 -17.945 1.00 6.05 O ATOM 789 CB LEU A 53 0.907 4.405 -20.041 1.00 5.79 C ATOM 790 CG LEU A 53 1.878 3.282 -20.399 1.00 6.23 C ATOM 791 CD1 LEU A 53 1.123 2.059 -20.891 1.00 6.10 C ATOM 792 CD2 LEU A 53 2.864 3.758 -21.451 1.00 6.57 C ATOM 0 H LEU A 53 1.879 4.094 -17.800 1.00 6.71 H new ATOM 0 HA LEU A 53 2.347 5.982 -19.819 1.00 6.20 H new ATOM 0 HB2 LEU A 53 0.085 3.983 -19.463 1.00 5.79 H new ATOM 0 HB3 LEU A 53 0.479 4.802 -20.961 1.00 5.79 H new ATOM 0 HG LEU A 53 2.432 3.003 -19.503 1.00 6.23 H new ATOM 0 HD11 LEU A 53 1.832 1.270 -21.141 1.00 6.10 H new ATOM 0 HD12 LEU A 53 0.450 1.708 -20.109 1.00 6.10 H new ATOM 0 HD13 LEU A 53 0.544 2.321 -21.777 1.00 6.10 H new ATOM 0 HD21 LEU A 53 3.551 2.949 -21.698 1.00 6.57 H new ATOM 0 HD22 LEU A 53 2.322 4.060 -22.347 1.00 6.57 H new ATOM 0 HD23 LEU A 53 3.427 4.607 -21.064 1.00 6.57 H new ATOM 804 N ILE A 54 0.197 7.375 -20.116 1.00 5.92 N ATOM 805 CA ILE A 54 -0.714 8.498 -20.071 1.00 5.98 C ATOM 806 C ILE A 54 -2.018 8.093 -20.727 1.00 5.33 C ATOM 807 O ILE A 54 -2.020 7.510 -21.817 1.00 5.16 O ATOM 808 CB ILE A 54 -0.133 9.728 -20.799 1.00 6.77 C ATOM 809 CG1 ILE A 54 1.269 10.054 -20.265 1.00 7.56 C ATOM 810 CG2 ILE A 54 -1.052 10.934 -20.645 1.00 7.04 C ATOM 811 CD1 ILE A 54 1.304 10.348 -18.783 1.00 7.89 C ATOM 0 H ILE A 54 0.582 7.187 -21.042 1.00 5.92 H new ATOM 0 HA ILE A 54 -0.876 8.772 -19.029 1.00 5.98 H new ATOM 0 HB ILE A 54 -0.057 9.490 -21.860 1.00 6.77 H new ATOM 0 HG12 ILE A 54 1.932 9.215 -20.475 1.00 7.56 H new ATOM 0 HG13 ILE A 54 1.663 10.914 -20.806 1.00 7.56 H new ATOM 0 HG21 ILE A 54 -0.621 11.789 -21.167 1.00 7.04 H new ATOM 0 HG22 ILE A 54 -2.029 10.704 -21.071 1.00 7.04 H new ATOM 0 HG23 ILE A 54 -1.164 11.173 -19.588 1.00 7.04 H new ATOM 0 HD11 ILE A 54 2.327 10.569 -18.480 1.00 7.89 H new ATOM 0 HD12 ILE A 54 0.668 11.207 -18.567 1.00 7.89 H new ATOM 0 HD13 ILE A 54 0.942 9.481 -18.231 1.00 7.89 H new ATOM 823 N PRO A 55 -3.142 8.350 -20.062 1.00 5.13 N ATOM 824 CA PRO A 55 -4.440 7.963 -20.576 1.00 4.65 C ATOM 825 C PRO A 55 -4.842 8.769 -21.802 1.00 5.10 C ATOM 826 O PRO A 55 -4.660 9.984 -21.861 1.00 5.77 O ATOM 827 CB PRO A 55 -5.378 8.202 -19.397 1.00 4.51 C ATOM 828 CG PRO A 55 -4.713 9.266 -18.598 1.00 5.22 C ATOM 829 CD PRO A 55 -3.239 9.025 -18.753 1.00 5.58 C ATOM 0 HA PRO A 55 -4.458 6.930 -20.924 1.00 4.65 H new ATOM 0 HB2 PRO A 55 -6.365 8.518 -19.734 1.00 4.51 H new ATOM 0 HB3 PRO A 55 -5.517 7.294 -18.810 1.00 4.51 H new ATOM 0 HG2 PRO A 55 -4.988 10.257 -18.959 1.00 5.22 H new ATOM 0 HG3 PRO A 55 -5.011 9.214 -17.551 1.00 5.22 H new ATOM 0 HD2 PRO A 55 -2.675 9.958 -18.738 1.00 5.58 H new ATOM 0 HD3 PRO A 55 -2.846 8.402 -17.949 1.00 5.58 H new ATOM 837 N VAL A 56 -5.381 8.060 -22.773 1.00 5.00 N ATOM 838 CA VAL A 56 -5.769 8.623 -24.056 1.00 5.69 C ATOM 839 C VAL A 56 -6.870 9.668 -23.923 1.00 5.96 C ATOM 840 O VAL A 56 -7.580 9.701 -22.926 1.00 5.52 O ATOM 841 CB VAL A 56 -6.261 7.517 -24.981 1.00 5.77 C ATOM 842 CG1 VAL A 56 -5.147 6.529 -25.296 1.00 5.82 C ATOM 843 CG2 VAL A 56 -7.441 6.841 -24.330 1.00 5.28 C ATOM 0 H VAL A 56 -5.566 7.060 -22.694 1.00 5.00 H new ATOM 0 HA VAL A 56 -4.884 9.109 -24.468 1.00 5.69 H new ATOM 0 HB VAL A 56 -6.573 7.943 -25.935 1.00 5.77 H new ATOM 0 HG11 VAL A 56 -5.527 5.751 -25.958 1.00 5.82 H new ATOM 0 HG12 VAL A 56 -4.325 7.051 -25.785 1.00 5.82 H new ATOM 0 HG13 VAL A 56 -4.790 6.076 -24.371 1.00 5.82 H new ATOM 0 HG21 VAL A 56 -7.808 6.045 -24.978 1.00 5.28 H new ATOM 0 HG22 VAL A 56 -7.136 6.418 -23.373 1.00 5.28 H new ATOM 0 HG23 VAL A 56 -8.234 7.571 -24.167 1.00 5.28 H new ATOM 853 N TYR A 57 -6.958 10.479 -24.972 1.00 6.83 N ATOM 854 CA TYR A 57 -7.937 11.572 -25.188 1.00 7.44 C ATOM 855 C TYR A 57 -8.846 11.897 -24.012 1.00 7.10 C ATOM 856 O TYR A 57 -8.795 12.991 -23.446 1.00 7.48 O ATOM 857 CB TYR A 57 -8.817 11.215 -26.390 1.00 7.84 C ATOM 858 CG TYR A 57 -8.954 9.719 -26.629 1.00 7.40 C ATOM 859 CD1 TYR A 57 -9.890 8.965 -25.931 1.00 6.79 C ATOM 860 CD2 TYR A 57 -8.141 9.061 -27.540 1.00 7.77 C ATOM 861 CE1 TYR A 57 -10.020 7.614 -26.134 1.00 6.66 C ATOM 862 CE2 TYR A 57 -8.265 7.701 -27.753 1.00 7.62 C ATOM 863 CZ TYR A 57 -9.208 6.983 -27.050 1.00 7.11 C ATOM 864 OH TYR A 57 -9.336 5.632 -27.262 1.00 7.23 O ATOM 0 H TYR A 57 -6.309 10.396 -25.755 1.00 6.83 H new ATOM 0 HA TYR A 57 -7.333 12.465 -25.346 1.00 7.44 H new ATOM 0 HB2 TYR A 57 -9.809 11.642 -26.242 1.00 7.84 H new ATOM 0 HB3 TYR A 57 -8.401 11.679 -27.284 1.00 7.84 H new ATOM 0 HD1 TYR A 57 -10.530 9.454 -25.212 1.00 6.79 H new ATOM 0 HD2 TYR A 57 -7.400 9.620 -28.091 1.00 7.77 H new ATOM 0 HE1 TYR A 57 -10.754 7.049 -25.579 1.00 6.66 H new ATOM 0 HE2 TYR A 57 -7.626 7.203 -28.467 1.00 7.62 H new ATOM 0 HH TYR A 57 -8.689 5.345 -27.940 1.00 7.23 H new ATOM 874 N GLU A 58 -9.684 10.956 -23.686 1.00 6.59 N ATOM 875 CA GLU A 58 -10.743 11.131 -22.724 1.00 6.41 C ATOM 876 C GLU A 58 -10.165 11.445 -21.352 1.00 6.15 C ATOM 877 O GLU A 58 -10.535 12.414 -20.690 1.00 6.62 O ATOM 878 CB GLU A 58 -11.551 9.838 -22.731 1.00 5.89 C ATOM 879 CG GLU A 58 -12.063 9.403 -21.385 1.00 5.18 C ATOM 880 CD GLU A 58 -13.280 10.187 -20.936 1.00 5.25 C ATOM 881 OE1 GLU A 58 -13.104 11.253 -20.316 1.00 5.25 O ATOM 882 OE2 GLU A 58 -14.415 9.742 -21.196 1.00 5.61 O1- ATOM 0 H GLU A 58 -9.652 10.020 -24.090 1.00 6.59 H new ATOM 0 HA GLU A 58 -11.388 11.973 -22.977 1.00 6.41 H new ATOM 0 HB2 GLU A 58 -12.400 9.961 -23.404 1.00 5.89 H new ATOM 0 HB3 GLU A 58 -10.931 9.042 -23.142 1.00 5.89 H new ATOM 0 HG2 GLU A 58 -12.313 8.343 -21.422 1.00 5.18 H new ATOM 0 HG3 GLU A 58 -11.270 9.517 -20.646 1.00 5.18 H new ATOM 889 N GLU A 59 -9.188 10.610 -21.007 1.00 5.59 N ATOM 890 CA GLU A 59 -8.364 10.712 -19.802 1.00 5.52 C ATOM 891 C GLU A 59 -9.140 11.148 -18.580 1.00 5.43 C ATOM 892 O GLU A 59 -8.659 11.941 -17.766 1.00 6.06 O ATOM 893 CB GLU A 59 -7.146 11.621 -20.049 1.00 6.40 C ATOM 894 CG GLU A 59 -7.490 13.051 -20.441 1.00 6.94 C ATOM 895 CD GLU A 59 -6.267 13.925 -20.623 1.00 7.89 C ATOM 896 OE1 GLU A 59 -5.762 14.472 -19.619 1.00 8.12 O ATOM 897 OE2 GLU A 59 -5.801 14.072 -21.774 1.00 8.58 O1- ATOM 0 H GLU A 59 -8.937 9.808 -21.584 1.00 5.59 H new ATOM 0 HA GLU A 59 -8.009 9.705 -19.583 1.00 5.52 H new ATOM 0 HB2 GLU A 59 -6.537 11.643 -19.146 1.00 6.40 H new ATOM 0 HB3 GLU A 59 -6.534 11.180 -20.836 1.00 6.40 H new ATOM 0 HG2 GLU A 59 -8.063 13.040 -21.368 1.00 6.94 H new ATOM 0 HG3 GLU A 59 -8.131 13.488 -19.675 1.00 6.94 H new ATOM 904 N GLU A 60 -10.309 10.556 -18.442 1.00 4.88 N ATOM 905 CA GLU A 60 -11.225 10.872 -17.365 1.00 5.05 C ATOM 906 C GLU A 60 -12.474 9.993 -17.446 1.00 5.18 C ATOM 907 O GLU A 60 -13.605 10.468 -17.567 1.00 5.82 O ATOM 908 CB GLU A 60 -11.604 12.349 -17.414 1.00 5.91 C ATOM 909 CG GLU A 60 -12.393 12.829 -16.208 1.00 6.37 C ATOM 910 CD GLU A 60 -12.798 14.281 -16.321 1.00 7.13 C ATOM 911 OE1 GLU A 60 -13.795 14.575 -17.012 1.00 7.41 O1- ATOM 912 OE2 GLU A 60 -12.117 15.136 -15.720 1.00 7.64 O ATOM 0 H GLU A 60 -10.652 9.837 -19.079 1.00 4.88 H new ATOM 0 HA GLU A 60 -10.729 10.671 -16.415 1.00 5.05 H new ATOM 0 HB2 GLU A 60 -10.694 12.943 -17.499 1.00 5.91 H new ATOM 0 HB3 GLU A 60 -12.190 12.533 -18.314 1.00 5.91 H new ATOM 0 HG2 GLU A 60 -13.286 12.214 -16.094 1.00 6.37 H new ATOM 0 HG3 GLU A 60 -11.794 12.691 -15.308 1.00 6.37 H new ATOM 919 N ASN A 61 -12.238 8.702 -17.372 1.00 4.82 N ATOM 920 CA ASN A 61 -13.305 7.705 -17.423 1.00 5.21 C ATOM 921 C ASN A 61 -12.929 6.513 -16.575 1.00 4.96 C ATOM 922 O ASN A 61 -13.760 5.934 -15.880 1.00 5.37 O ATOM 923 CB ASN A 61 -13.540 7.223 -18.845 1.00 5.66 C ATOM 924 CG ASN A 61 -14.732 6.291 -18.947 1.00 6.39 C ATOM 925 OD1 ASN A 61 -15.713 6.440 -18.222 1.00 6.60 O ATOM 926 ND2 ASN A 61 -14.649 5.308 -19.832 1.00 7.02 N ATOM 0 H ASN A 61 -11.303 8.305 -17.275 1.00 4.82 H new ATOM 0 HA ASN A 61 -14.215 8.173 -17.048 1.00 5.21 H new ATOM 0 HB2 ASN A 61 -13.697 8.083 -19.496 1.00 5.66 H new ATOM 0 HB3 ASN A 61 -12.648 6.709 -19.204 1.00 5.66 H new ATOM 0 HD21 ASN A 61 -15.416 4.643 -19.929 1.00 7.02 H new ATOM 0 HD22 ASN A 61 -13.818 5.217 -20.416 1.00 7.02 H new ATOM 933 N ALA A 62 -11.656 6.161 -16.636 1.00 4.60 N ATOM 934 CA ALA A 62 -11.124 5.066 -15.854 1.00 4.73 C ATOM 935 C ALA A 62 -11.170 5.408 -14.380 1.00 4.93 C ATOM 936 O ALA A 62 -11.031 4.547 -13.517 1.00 5.41 O ATOM 937 CB ALA A 62 -9.707 4.767 -16.290 1.00 4.86 C ATOM 0 H ALA A 62 -10.967 6.626 -17.227 1.00 4.60 H new ATOM 0 HA ALA A 62 -11.734 4.178 -16.018 1.00 4.73 H new ATOM 0 HB1 ALA A 62 -9.311 3.942 -15.698 1.00 4.86 H new ATOM 0 HB2 ALA A 62 -9.701 4.493 -17.345 1.00 4.86 H new ATOM 0 HB3 ALA A 62 -9.086 5.651 -16.141 1.00 4.86 H new ATOM 943 N ASP A 63 -11.380 6.688 -14.101 1.00 4.87 N ATOM 944 CA ASP A 63 -11.519 7.155 -12.743 1.00 5.36 C ATOM 945 C ASP A 63 -12.956 6.985 -12.289 1.00 5.66 C ATOM 946 O ASP A 63 -13.371 7.509 -11.263 1.00 6.14 O ATOM 947 CB ASP A 63 -11.110 8.625 -12.635 1.00 5.84 C ATOM 948 CG ASP A 63 -10.588 8.982 -11.265 1.00 6.49 C ATOM 949 OD1 ASP A 63 -9.414 8.682 -10.976 1.00 6.76 O1- ATOM 950 OD2 ASP A 63 -11.350 9.557 -10.473 1.00 7.01 O ATOM 0 H ASP A 63 -11.457 7.419 -14.808 1.00 4.87 H new ATOM 0 HA ASP A 63 -10.864 6.565 -12.102 1.00 5.36 H new ATOM 0 HB2 ASP A 63 -10.344 8.841 -13.380 1.00 5.84 H new ATOM 0 HB3 ASP A 63 -11.968 9.255 -12.869 1.00 5.84 H new ATOM 955 N GLY A 64 -13.718 6.283 -13.103 1.00 5.66 N ATOM 956 CA GLY A 64 -15.122 6.064 -12.834 1.00 6.25 C ATOM 957 C GLY A 64 -15.953 7.224 -13.313 1.00 6.54 C ATOM 958 O GLY A 64 -16.918 7.051 -14.061 1.00 7.20 O ATOM 0 H GLY A 64 -13.383 5.851 -13.964 1.00 5.66 H new ATOM 0 HA2 GLY A 64 -15.451 5.149 -13.326 1.00 6.25 H new ATOM 0 HA3 GLY A 64 -15.273 5.922 -11.764 1.00 6.25 H new ATOM 962 N ALA A 65 -15.543 8.409 -12.900 1.00 6.34 N ATOM 963 CA ALA A 65 -16.249 9.643 -13.215 1.00 6.92 C ATOM 964 C ALA A 65 -15.473 10.838 -12.687 1.00 7.26 C ATOM 965 O ALA A 65 -16.062 11.856 -12.326 1.00 7.82 O ATOM 966 CB ALA A 65 -17.635 9.617 -12.598 1.00 7.42 C ATOM 0 H ALA A 65 -14.706 8.546 -12.333 1.00 6.34 H new ATOM 0 HA ALA A 65 -16.341 9.730 -14.298 1.00 6.92 H new ATOM 0 HB1 ALA A 65 -18.157 10.543 -12.838 1.00 7.42 H new ATOM 0 HB2 ALA A 65 -18.195 8.771 -12.997 1.00 7.42 H new ATOM 0 HB3 ALA A 65 -17.550 9.518 -11.516 1.00 7.42 H new ATOM 972 N ALA A 66 -14.147 10.697 -12.645 1.00 7.17 N ATOM 973 CA ALA A 66 -13.273 11.686 -12.013 1.00 7.77 C ATOM 974 C ALA A 66 -13.632 11.822 -10.539 1.00 7.57 C ATOM 975 O ALA A 66 -13.520 12.894 -9.940 1.00 8.11 O ATOM 976 CB ALA A 66 -13.352 13.031 -12.719 1.00 8.65 C ATOM 0 H ALA A 66 -13.652 9.900 -13.045 1.00 7.17 H new ATOM 0 HA ALA A 66 -12.243 11.339 -12.096 1.00 7.77 H new ATOM 0 HB1 ALA A 66 -12.690 13.741 -12.223 1.00 8.65 H new ATOM 0 HB2 ALA A 66 -13.046 12.915 -13.759 1.00 8.65 H new ATOM 0 HB3 ALA A 66 -14.376 13.402 -12.682 1.00 8.65 H new ATOM 982 N VAL A 67 -14.078 10.713 -9.974 1.00 6.98 N ATOM 983 CA VAL A 67 -14.493 10.667 -8.582 1.00 6.95 C ATOM 984 C VAL A 67 -13.287 10.736 -7.657 1.00 6.91 C ATOM 985 O VAL A 67 -13.228 11.548 -6.730 1.00 7.31 O ATOM 986 CB VAL A 67 -15.316 9.387 -8.289 1.00 6.72 C ATOM 987 CG1 VAL A 67 -14.540 8.108 -8.564 1.00 6.95 C ATOM 988 CG2 VAL A 67 -15.818 9.394 -6.864 1.00 6.89 C ATOM 0 H VAL A 67 -14.163 9.823 -10.465 1.00 6.98 H new ATOM 0 HA VAL A 67 -15.127 11.534 -8.396 1.00 6.95 H new ATOM 0 HB VAL A 67 -16.164 9.399 -8.974 1.00 6.72 H new ATOM 0 HG11 VAL A 67 -15.168 7.246 -8.340 1.00 6.95 H new ATOM 0 HG12 VAL A 67 -14.245 8.080 -9.613 1.00 6.95 H new ATOM 0 HG13 VAL A 67 -13.650 8.081 -7.936 1.00 6.95 H new ATOM 0 HG21 VAL A 67 -16.394 8.488 -6.677 1.00 6.89 H new ATOM 0 HG22 VAL A 67 -14.970 9.433 -6.180 1.00 6.89 H new ATOM 0 HG23 VAL A 67 -16.453 10.266 -6.706 1.00 6.89 H new ATOM 998 N ARG A 68 -12.344 9.869 -7.928 1.00 6.66 N ATOM 999 CA ARG A 68 -11.108 9.787 -7.211 1.00 6.87 C ATOM 1000 C ARG A 68 -10.278 11.033 -7.452 1.00 7.21 C ATOM 1001 O ARG A 68 -10.104 11.883 -6.579 1.00 7.68 O ATOM 1002 CB ARG A 68 -10.324 8.559 -7.681 1.00 7.41 C ATOM 1003 CG ARG A 68 -11.187 7.354 -8.007 1.00 7.79 C ATOM 1004 CD ARG A 68 -10.350 6.161 -8.437 1.00 8.65 C ATOM 1005 NE ARG A 68 -9.521 6.473 -9.600 1.00 8.94 N ATOM 1006 CZ ARG A 68 -8.793 5.587 -10.277 1.00 9.70 C ATOM 1007 NH1 ARG A 68 -8.793 4.306 -9.931 1.00 10.21 N1+ ATOM 1008 NH2 ARG A 68 -8.069 5.997 -11.311 1.00 10.14 N ATOM 0 H ARG A 68 -12.423 9.182 -8.678 1.00 6.66 H new ATOM 0 HA ARG A 68 -11.324 9.702 -6.146 1.00 6.87 H new ATOM 0 HB2 ARG A 68 -9.747 8.828 -8.566 1.00 7.41 H new ATOM 0 HB3 ARG A 68 -9.609 8.281 -6.907 1.00 7.41 H new ATOM 0 HG2 ARG A 68 -11.781 7.085 -7.134 1.00 7.79 H new ATOM 0 HG3 ARG A 68 -11.887 7.612 -8.802 1.00 7.79 H new ATOM 0 HD2 ARG A 68 -9.713 5.846 -7.610 1.00 8.65 H new ATOM 0 HD3 ARG A 68 -11.005 5.322 -8.672 1.00 8.65 H new ATOM 0 HE ARG A 68 -9.499 7.442 -9.917 1.00 8.94 H new ATOM 0 HH11 ARG A 68 -9.354 3.992 -9.140 1.00 10.21 H new ATOM 0 HH12 ARG A 68 -8.232 3.636 -10.457 1.00 10.21 H new ATOM 0 HH21 ARG A 68 -8.074 6.981 -11.579 1.00 10.14 H new ATOM 0 HH22 ARG A 68 -7.507 5.328 -11.838 1.00 10.14 H new ATOM 1022 N ILE A 69 -9.790 11.109 -8.661 1.00 7.25 N ATOM 1023 CA ILE A 69 -8.887 12.167 -9.089 1.00 7.89 C ATOM 1024 C ILE A 69 -9.621 13.207 -9.909 1.00 8.72 C ATOM 1025 O ILE A 69 -10.658 12.928 -10.506 1.00 8.86 O ATOM 1026 CB ILE A 69 -7.744 11.583 -9.937 1.00 7.93 C ATOM 1027 CG1 ILE A 69 -7.237 10.293 -9.292 1.00 7.29 C ATOM 1028 CG2 ILE A 69 -6.630 12.604 -10.081 1.00 8.79 C ATOM 1029 CD1 ILE A 69 -6.209 9.554 -10.112 1.00 7.43 C ATOM 0 H ILE A 69 -10.006 10.433 -9.394 1.00 7.25 H new ATOM 0 HA ILE A 69 -8.481 12.638 -8.194 1.00 7.89 H new ATOM 0 HB ILE A 69 -8.111 11.346 -10.936 1.00 7.93 H new ATOM 0 HG12 ILE A 69 -6.807 10.531 -8.319 1.00 7.29 H new ATOM 0 HG13 ILE A 69 -8.085 9.632 -9.112 1.00 7.29 H new ATOM 0 HG21 ILE A 69 -5.825 12.182 -10.683 1.00 8.79 H new ATOM 0 HG22 ILE A 69 -7.017 13.499 -10.569 1.00 8.79 H new ATOM 0 HG23 ILE A 69 -6.247 12.866 -9.095 1.00 8.79 H new ATOM 0 HD11 ILE A 69 -5.902 8.651 -9.583 1.00 7.43 H new ATOM 0 HD12 ILE A 69 -6.640 9.282 -11.076 1.00 7.43 H new ATOM 0 HD13 ILE A 69 -5.341 10.194 -10.270 1.00 7.43 H new ATOM 1041 N ASP A 70 -9.050 14.403 -9.955 1.00 9.49 N ATOM 1042 CA ASP A 70 -9.633 15.525 -10.673 1.00 10.50 C ATOM 1043 C ASP A 70 -9.425 15.393 -12.180 1.00 10.98 C ATOM 1044 O ASP A 70 -9.201 16.373 -12.892 1.00 11.84 O ATOM 1045 CB ASP A 70 -9.007 16.825 -10.155 1.00 11.29 C ATOM 1046 CG ASP A 70 -9.641 18.086 -10.716 1.00 12.36 C ATOM 1047 OD1 ASP A 70 -10.868 18.260 -10.563 1.00 12.66 O1- ATOM 1048 OD2 ASP A 70 -8.927 18.898 -11.337 1.00 13.02 O ATOM 0 H ASP A 70 -8.167 14.622 -9.494 1.00 9.49 H new ATOM 0 HA ASP A 70 -10.709 15.536 -10.496 1.00 10.50 H new ATOM 0 HB2 ASP A 70 -9.085 16.845 -9.068 1.00 11.29 H new ATOM 0 HB3 ASP A 70 -7.945 16.826 -10.399 1.00 11.29 H new ATOM 1053 N GLY A 71 -9.502 14.150 -12.656 1.00 10.56 N ATOM 1054 CA GLY A 71 -9.312 13.846 -14.062 1.00 11.12 C ATOM 1055 C GLY A 71 -7.989 14.356 -14.594 1.00 11.32 C ATOM 1056 O GLY A 71 -7.826 14.524 -15.802 1.00 12.13 O ATOM 0 H GLY A 71 -9.697 13.334 -12.076 1.00 10.56 H new ATOM 0 HA2 GLY A 71 -9.366 12.767 -14.207 1.00 11.12 H new ATOM 0 HA3 GLY A 71 -10.125 14.287 -14.638 1.00 11.12 H new ATOM 1060 N ARG A 72 -7.040 14.593 -13.693 1.00 10.73 N ATOM 1061 CA ARG A 72 -5.792 15.206 -14.062 1.00 11.04 C ATOM 1062 C ARG A 72 -4.755 14.149 -14.372 1.00 10.55 C ATOM 1063 O ARG A 72 -4.993 12.960 -14.186 1.00 9.83 O ATOM 1064 CB ARG A 72 -5.306 16.126 -12.933 1.00 11.16 C ATOM 1065 CG ARG A 72 -4.935 15.388 -11.654 1.00 10.42 C ATOM 1066 CD ARG A 72 -4.800 16.346 -10.476 1.00 10.89 C ATOM 1067 NE ARG A 72 -3.879 17.453 -10.750 1.00 11.31 N ATOM 1068 CZ ARG A 72 -3.593 18.424 -9.877 1.00 11.83 C ATOM 1069 NH1 ARG A 72 -4.121 18.407 -8.658 1.00 12.00 N1+ ATOM 1070 NH2 ARG A 72 -2.775 19.405 -10.226 1.00 12.38 N ATOM 0 H ARG A 72 -7.123 14.365 -12.702 1.00 10.73 H new ATOM 0 HA ARG A 72 -5.945 15.805 -14.959 1.00 11.04 H new ATOM 0 HB2 ARG A 72 -4.439 16.687 -13.282 1.00 11.16 H new ATOM 0 HB3 ARG A 72 -6.086 16.853 -12.708 1.00 11.16 H new ATOM 0 HG2 ARG A 72 -5.696 14.640 -11.431 1.00 10.42 H new ATOM 0 HG3 ARG A 72 -3.996 14.854 -11.800 1.00 10.42 H new ATOM 0 HD2 ARG A 72 -5.782 16.749 -10.226 1.00 10.89 H new ATOM 0 HD3 ARG A 72 -4.450 15.795 -9.603 1.00 10.89 H new ATOM 0 HE ARG A 72 -3.428 17.484 -11.664 1.00 11.31 H new ATOM 0 HH11 ARG A 72 -4.748 17.650 -8.384 1.00 12.00 H new ATOM 0 HH12 ARG A 72 -3.899 19.150 -7.996 1.00 12.00 H new ATOM 0 HH21 ARG A 72 -2.364 19.419 -11.160 1.00 12.38 H new ATOM 0 HH22 ARG A 72 -2.556 20.147 -9.561 1.00 12.38 H new ATOM 1084 N VAL A 73 -3.621 14.648 -14.840 1.00 11.11 N ATOM 1085 CA VAL A 73 -2.410 13.894 -15.151 1.00 10.97 C ATOM 1086 C VAL A 73 -2.326 12.492 -14.522 1.00 10.92 C ATOM 1087 O VAL A 73 -2.199 11.504 -15.247 1.00 11.44 O ATOM 1088 CB VAL A 73 -1.203 14.741 -14.709 1.00 11.58 C ATOM 1089 CG1 VAL A 73 -1.416 15.235 -13.281 1.00 11.61 C ATOM 1090 CG2 VAL A 73 0.102 13.961 -14.838 1.00 11.56 C ATOM 0 H VAL A 73 -3.512 15.645 -15.024 1.00 11.11 H new ATOM 0 HA VAL A 73 -2.421 13.710 -16.225 1.00 10.97 H new ATOM 0 HB VAL A 73 -1.123 15.605 -15.369 1.00 11.58 H new ATOM 0 HG11 VAL A 73 -0.560 15.834 -12.972 1.00 11.61 H new ATOM 0 HG12 VAL A 73 -2.319 15.844 -13.237 1.00 11.61 H new ATOM 0 HG13 VAL A 73 -1.522 14.381 -12.612 1.00 11.61 H new ATOM 0 HG21 VAL A 73 0.934 14.588 -14.518 1.00 11.56 H new ATOM 0 HG22 VAL A 73 0.057 13.070 -14.211 1.00 11.56 H new ATOM 0 HG23 VAL A 73 0.249 13.666 -15.877 1.00 11.56 H new ATOM 1100 N THR A 74 -2.424 12.427 -13.188 1.00 10.48 N ATOM 1101 CA THR A 74 -2.236 11.203 -12.404 1.00 10.58 C ATOM 1102 C THR A 74 -1.176 10.267 -13.003 1.00 10.71 C ATOM 1103 O THR A 74 -1.450 9.126 -13.390 1.00 10.65 O ATOM 1104 CB THR A 74 -3.568 10.456 -12.153 1.00 10.38 C ATOM 1105 OG1 THR A 74 -3.338 9.324 -11.306 1.00 10.63 O ATOM 1106 CG2 THR A 74 -4.246 10.007 -13.443 1.00 9.98 C ATOM 0 H THR A 74 -2.641 13.241 -12.613 1.00 10.48 H new ATOM 0 HA THR A 74 -1.857 11.529 -11.436 1.00 10.58 H new ATOM 0 HB THR A 74 -4.242 11.160 -11.666 1.00 10.38 H new ATOM 0 HG1 THR A 74 -3.987 8.621 -11.516 1.00 10.63 H new ATOM 0 HG21 THR A 74 -5.175 9.489 -13.205 1.00 9.98 H new ATOM 0 HG22 THR A 74 -4.464 10.878 -14.061 1.00 9.98 H new ATOM 0 HG23 THR A 74 -3.584 9.333 -13.986 1.00 9.98 H new ATOM 1114 N GLN A 75 0.052 10.759 -13.055 1.00 11.10 N ATOM 1115 CA GLN A 75 1.170 9.980 -13.560 1.00 11.47 C ATOM 1116 C GLN A 75 1.675 9.051 -12.464 1.00 11.19 C ATOM 1117 O GLN A 75 2.784 9.202 -11.945 1.00 11.49 O ATOM 1118 CB GLN A 75 2.278 10.917 -14.046 1.00 12.23 C ATOM 1119 CG GLN A 75 3.454 10.207 -14.696 1.00 12.99 C ATOM 1120 CD GLN A 75 4.515 11.172 -15.182 1.00 13.67 C ATOM 1121 OE1 GLN A 75 5.439 11.521 -14.444 1.00 13.95 O ATOM 1122 NE2 GLN A 75 4.385 11.618 -16.418 1.00 14.09 N ATOM 0 H GLN A 75 0.300 11.701 -12.751 1.00 11.10 H new ATOM 0 HA GLN A 75 0.847 9.373 -14.406 1.00 11.47 H new ATOM 0 HB2 GLN A 75 1.854 11.623 -14.760 1.00 12.23 H new ATOM 0 HB3 GLN A 75 2.642 11.500 -13.200 1.00 12.23 H new ATOM 0 HG2 GLN A 75 3.897 9.514 -13.980 1.00 12.99 H new ATOM 0 HG3 GLN A 75 3.096 9.612 -15.536 1.00 12.99 H new ATOM 0 HE21 GLN A 75 3.605 11.303 -16.994 1.00 14.09 H new ATOM 0 HE22 GLN A 75 5.065 12.278 -16.796 1.00 14.09 H new ATOM 1131 N ASN A 76 0.837 8.091 -12.110 1.00 10.79 N ATOM 1132 CA ASN A 76 1.123 7.158 -11.055 1.00 10.66 C ATOM 1133 C ASN A 76 0.730 5.769 -11.503 1.00 11.04 C ATOM 1134 O ASN A 76 0.006 5.595 -12.481 1.00 11.22 O ATOM 1135 CB ASN A 76 0.352 7.490 -9.764 1.00 10.19 C ATOM 1136 CG ASN A 76 0.687 8.842 -9.160 1.00 9.94 C ATOM 1137 OD1 ASN A 76 -0.147 9.454 -8.503 1.00 10.12 O ATOM 1138 ND2 ASN A 76 1.902 9.312 -9.370 1.00 9.78 N ATOM 0 H ASN A 76 -0.068 7.944 -12.557 1.00 10.79 H new ATOM 0 HA ASN A 76 2.190 7.218 -10.841 1.00 10.66 H new ATOM 0 HB2 ASN A 76 -0.717 7.455 -9.975 1.00 10.19 H new ATOM 0 HB3 ASN A 76 0.556 6.715 -9.025 1.00 10.19 H new ATOM 0 HD21 ASN A 76 2.174 10.214 -8.980 1.00 9.78 H new ATOM 0 HD22 ASN A 76 2.569 8.773 -9.923 1.00 9.78 H new ATOM 1145 N LEU A 77 1.202 4.798 -10.773 1.00 11.36 N ATOM 1146 CA LEU A 77 0.828 3.410 -10.988 1.00 11.92 C ATOM 1147 C LEU A 77 -0.130 2.951 -9.900 1.00 11.78 C ATOM 1148 O LEU A 77 -0.450 1.768 -9.774 1.00 12.15 O ATOM 1149 CB LEU A 77 2.073 2.535 -10.995 1.00 12.58 C ATOM 1150 CG LEU A 77 3.010 2.756 -12.181 1.00 13.28 C ATOM 1151 CD1 LEU A 77 4.334 2.043 -11.966 1.00 13.59 C ATOM 1152 CD2 LEU A 77 2.357 2.277 -13.464 1.00 13.71 C ATOM 0 H LEU A 77 1.860 4.937 -10.006 1.00 11.36 H new ATOM 0 HA LEU A 77 0.328 3.322 -11.952 1.00 11.92 H new ATOM 0 HB2 LEU A 77 2.629 2.712 -10.074 1.00 12.58 H new ATOM 0 HB3 LEU A 77 1.764 1.490 -10.985 1.00 12.58 H new ATOM 0 HG LEU A 77 3.208 3.825 -12.264 1.00 13.28 H new ATOM 0 HD11 LEU A 77 4.984 2.216 -12.824 1.00 13.59 H new ATOM 0 HD12 LEU A 77 4.812 2.428 -11.065 1.00 13.59 H new ATOM 0 HD13 LEU A 77 4.157 0.973 -11.854 1.00 13.59 H new ATOM 0 HD21 LEU A 77 3.036 2.441 -14.301 1.00 13.71 H new ATOM 0 HD22 LEU A 77 2.131 1.214 -13.382 1.00 13.71 H new ATOM 0 HD23 LEU A 77 1.434 2.832 -13.632 1.00 13.71 H new ATOM 1164 N GLY A 78 -0.591 3.914 -9.125 1.00 11.41 N ATOM 1165 CA GLY A 78 -1.407 3.629 -7.966 1.00 11.44 C ATOM 1166 C GLY A 78 -0.675 4.002 -6.702 1.00 10.55 C ATOM 1167 O GLY A 78 -1.062 3.602 -5.604 1.00 10.48 O ATOM 0 H GLY A 78 -0.411 4.906 -9.281 1.00 11.41 H new ATOM 0 HA2 GLY A 78 -2.344 4.183 -8.028 1.00 11.44 H new ATOM 0 HA3 GLY A 78 -1.664 2.570 -7.946 1.00 11.44 H new ATOM 1171 N VAL A 79 0.399 4.774 -6.878 1.00 9.99 N ATOM 1172 CA VAL A 79 1.253 5.196 -5.778 1.00 9.16 C ATOM 1173 C VAL A 79 1.851 3.984 -5.088 1.00 8.69 C ATOM 1174 O VAL A 79 1.441 3.589 -3.994 1.00 8.93 O ATOM 1175 CB VAL A 79 0.501 6.091 -4.775 1.00 9.21 C ATOM 1176 CG1 VAL A 79 1.416 6.548 -3.639 1.00 8.66 C ATOM 1177 CG2 VAL A 79 -0.079 7.288 -5.504 1.00 9.75 C ATOM 0 H VAL A 79 0.697 5.122 -7.789 1.00 9.99 H new ATOM 0 HA VAL A 79 2.061 5.798 -6.193 1.00 9.16 H new ATOM 0 HB VAL A 79 -0.306 5.510 -4.330 1.00 9.21 H new ATOM 0 HG11 VAL A 79 0.853 7.178 -2.950 1.00 8.66 H new ATOM 0 HG12 VAL A 79 1.797 5.677 -3.106 1.00 8.66 H new ATOM 0 HG13 VAL A 79 2.251 7.116 -4.050 1.00 8.66 H new ATOM 0 HG21 VAL A 79 -0.612 7.922 -4.796 1.00 9.75 H new ATOM 0 HG22 VAL A 79 0.727 7.858 -5.967 1.00 9.75 H new ATOM 0 HG23 VAL A 79 -0.770 6.945 -6.274 1.00 9.75 H new ATOM 1187 N ARG A 80 2.812 3.381 -5.757 1.00 8.26 N ATOM 1188 CA ARG A 80 3.487 2.219 -5.216 1.00 8.04 C ATOM 1189 C ARG A 80 4.558 2.676 -4.248 1.00 7.16 C ATOM 1190 O ARG A 80 5.087 3.780 -4.386 1.00 6.61 O ATOM 1191 CB ARG A 80 4.117 1.369 -6.328 1.00 8.39 C ATOM 1192 CG ARG A 80 4.444 -0.054 -5.907 1.00 8.96 C ATOM 1193 CD ARG A 80 5.024 -0.857 -7.058 1.00 9.63 C ATOM 1194 NE ARG A 80 6.357 -0.393 -7.437 1.00 10.25 N ATOM 1195 CZ ARG A 80 6.868 -0.505 -8.659 1.00 10.94 C ATOM 1196 NH1 ARG A 80 6.132 -0.994 -9.648 1.00 11.11 N1+ ATOM 1197 NH2 ARG A 80 8.115 -0.119 -8.895 1.00 11.64 N ATOM 0 H ARG A 80 3.143 3.676 -6.676 1.00 8.26 H new ATOM 0 HA ARG A 80 2.753 1.600 -4.700 1.00 8.04 H new ATOM 0 HB2 ARG A 80 3.435 1.338 -7.178 1.00 8.39 H new ATOM 0 HB3 ARG A 80 5.031 1.855 -6.670 1.00 8.39 H new ATOM 0 HG2 ARG A 80 5.155 -0.036 -5.081 1.00 8.96 H new ATOM 0 HG3 ARG A 80 3.541 -0.542 -5.540 1.00 8.96 H new ATOM 0 HD2 ARG A 80 5.073 -1.909 -6.777 1.00 9.63 H new ATOM 0 HD3 ARG A 80 4.359 -0.788 -7.919 1.00 9.63 H new ATOM 0 HE ARG A 80 6.932 0.045 -6.718 1.00 10.25 H new ATOM 0 HH11 ARG A 80 5.171 -1.286 -9.472 1.00 11.11 H new ATOM 0 HH12 ARG A 80 6.527 -1.078 -10.584 1.00 11.11 H new ATOM 0 HH21 ARG A 80 8.682 0.264 -8.139 1.00 11.64 H new ATOM 0 HH22 ARG A 80 8.507 -0.205 -9.833 1.00 11.64 H new ATOM 1211 N THR A 81 4.869 1.850 -3.273 1.00 7.24 N ATOM 1212 CA THR A 81 5.935 2.159 -2.348 1.00 6.59 C ATOM 1213 C THR A 81 6.909 1.002 -2.265 1.00 6.82 C ATOM 1214 O THR A 81 6.732 -0.035 -2.912 1.00 7.73 O ATOM 1215 CB THR A 81 5.408 2.447 -0.923 1.00 6.98 C ATOM 1216 OG1 THR A 81 4.721 1.295 -0.415 1.00 8.00 O ATOM 1217 CG2 THR A 81 4.469 3.637 -0.881 1.00 7.05 C ATOM 0 H THR A 81 4.399 0.961 -3.101 1.00 7.24 H new ATOM 0 HA THR A 81 6.428 3.054 -2.728 1.00 6.59 H new ATOM 0 HB THR A 81 6.275 2.681 -0.305 1.00 6.98 H new ATOM 0 HG1 THR A 81 4.131 1.564 0.320 1.00 8.00 H new ATOM 0 HG21 THR A 81 4.128 3.796 0.142 1.00 7.05 H new ATOM 0 HG22 THR A 81 4.993 4.526 -1.231 1.00 7.05 H new ATOM 0 HG23 THR A 81 3.610 3.445 -1.524 1.00 7.05 H new ATOM 1225 N ALA A 82 7.943 1.198 -1.482 1.00 6.18 N ATOM 1226 CA ALA A 82 8.865 0.144 -1.150 1.00 6.65 C ATOM 1227 C ALA A 82 9.250 0.297 0.308 1.00 6.65 C ATOM 1228 O ALA A 82 9.660 1.379 0.736 1.00 5.88 O ATOM 1229 CB ALA A 82 10.083 0.195 -2.063 1.00 6.36 C ATOM 0 H ALA A 82 8.167 2.098 -1.057 1.00 6.18 H new ATOM 0 HA ALA A 82 8.400 -0.831 -1.298 1.00 6.65 H new ATOM 0 HB1 ALA A 82 10.770 -0.609 -1.798 1.00 6.36 H new ATOM 0 HB2 ALA A 82 9.766 0.075 -3.099 1.00 6.36 H new ATOM 0 HB3 ALA A 82 10.586 1.155 -1.946 1.00 6.36 H new ATOM 1235 N GLU A 83 9.085 -0.764 1.074 1.00 7.70 N ATOM 1236 CA GLU A 83 9.352 -0.722 2.493 1.00 8.10 C ATOM 1237 C GLU A 83 10.853 -0.825 2.735 1.00 7.90 C ATOM 1238 O GLU A 83 11.548 -1.581 2.056 1.00 8.21 O ATOM 1239 CB GLU A 83 8.612 -1.859 3.196 1.00 9.47 C ATOM 1240 CG GLU A 83 8.658 -1.775 4.710 1.00 10.14 C ATOM 1241 CD GLU A 83 7.921 -2.915 5.376 1.00 11.52 C ATOM 1242 OE1 GLU A 83 6.672 -2.896 5.387 1.00 12.06 O1- ATOM 1243 OE2 GLU A 83 8.585 -3.840 5.882 1.00 12.15 O ATOM 0 H GLU A 83 8.765 -1.670 0.732 1.00 7.70 H new ATOM 0 HA GLU A 83 8.997 0.224 2.902 1.00 8.10 H new ATOM 0 HB2 GLU A 83 7.571 -1.857 2.873 1.00 9.47 H new ATOM 0 HB3 GLU A 83 9.042 -2.810 2.881 1.00 9.47 H new ATOM 0 HG2 GLU A 83 9.697 -1.777 5.039 1.00 10.14 H new ATOM 0 HG3 GLU A 83 8.223 -0.829 5.032 1.00 10.14 H new ATOM 1250 N VAL A 84 11.343 -0.047 3.680 1.00 7.58 N ATOM 1251 CA VAL A 84 12.759 -0.029 4.015 1.00 7.50 C ATOM 1252 C VAL A 84 13.250 -1.371 4.520 1.00 8.74 C ATOM 1253 O VAL A 84 12.627 -2.000 5.377 1.00 9.71 O ATOM 1254 CB VAL A 84 13.071 1.058 5.058 1.00 7.28 C ATOM 1255 CG1 VAL A 84 14.488 0.916 5.572 1.00 7.49 C ATOM 1256 CG2 VAL A 84 12.857 2.436 4.458 1.00 6.28 C ATOM 0 H VAL A 84 10.775 0.590 4.238 1.00 7.58 H new ATOM 0 HA VAL A 84 13.288 0.198 3.089 1.00 7.50 H new ATOM 0 HB VAL A 84 12.391 0.935 5.901 1.00 7.28 H new ATOM 0 HG11 VAL A 84 14.688 1.694 6.308 1.00 7.49 H new ATOM 0 HG12 VAL A 84 14.610 -0.063 6.036 1.00 7.49 H new ATOM 0 HG13 VAL A 84 15.188 1.014 4.742 1.00 7.49 H new ATOM 0 HG21 VAL A 84 13.081 3.197 5.205 1.00 6.28 H new ATOM 0 HG22 VAL A 84 13.516 2.565 3.600 1.00 6.28 H new ATOM 0 HG23 VAL A 84 11.820 2.536 4.137 1.00 6.28 H new ATOM 1266 N LYS A 85 14.386 -1.781 3.973 1.00 8.82 N ATOM 1267 CA LYS A 85 15.018 -3.045 4.312 1.00 10.03 C ATOM 1268 C LYS A 85 16.505 -2.813 4.449 1.00 10.02 C ATOM 1269 O LYS A 85 17.051 -1.926 3.809 1.00 9.25 O ATOM 1270 CB LYS A 85 14.806 -4.080 3.203 1.00 10.75 C ATOM 1271 CG LYS A 85 13.374 -4.200 2.739 1.00 10.58 C ATOM 1272 CD LYS A 85 12.479 -4.732 3.839 1.00 11.03 C ATOM 1273 CE LYS A 85 11.031 -4.409 3.551 1.00 10.50 C ATOM 1274 NZ LYS A 85 10.556 -5.030 2.286 1.00 11.02 N1+ ATOM 0 H LYS A 85 14.898 -1.240 3.276 1.00 8.82 H new ATOM 0 HA LYS A 85 14.579 -3.416 5.238 1.00 10.03 H new ATOM 0 HB2 LYS A 85 15.432 -3.817 2.351 1.00 10.75 H new ATOM 0 HB3 LYS A 85 15.144 -5.053 3.559 1.00 10.75 H new ATOM 0 HG2 LYS A 85 13.012 -3.225 2.414 1.00 10.58 H new ATOM 0 HG3 LYS A 85 13.324 -4.863 1.875 1.00 10.58 H new ATOM 0 HD2 LYS A 85 12.606 -5.811 3.928 1.00 11.03 H new ATOM 0 HD3 LYS A 85 12.771 -4.297 4.795 1.00 11.03 H new ATOM 0 HE2 LYS A 85 10.412 -4.756 4.378 1.00 10.50 H new ATOM 0 HE3 LYS A 85 10.907 -3.328 3.492 1.00 10.50 H new ATOM 0 HZ1 LYS A 85 9.534 -4.867 2.181 1.00 11.02 H new ATOM 0 HZ2 LYS A 85 11.059 -4.605 1.481 1.00 11.02 H new ATOM 0 HZ3 LYS A 85 10.742 -6.053 2.310 1.00 11.02 H new ATOM 1288 N LEU A 86 17.157 -3.589 5.279 1.00 10.96 N ATOM 1289 CA LEU A 86 18.612 -3.586 5.293 1.00 11.21 C ATOM 1290 C LEU A 86 19.125 -4.394 4.107 1.00 11.85 C ATOM 1291 O LEU A 86 18.484 -5.359 3.686 1.00 12.43 O ATOM 1292 CB LEU A 86 19.192 -4.134 6.604 1.00 12.08 C ATOM 1293 CG LEU A 86 19.113 -3.190 7.810 1.00 11.90 C ATOM 1294 CD1 LEU A 86 17.685 -3.079 8.329 1.00 11.97 C ATOM 1295 CD2 LEU A 86 20.050 -3.662 8.911 1.00 12.76 C ATOM 0 H LEU A 86 16.719 -4.224 5.946 1.00 10.96 H new ATOM 0 HA LEU A 86 18.944 -2.551 5.216 1.00 11.21 H new ATOM 0 HB2 LEU A 86 18.669 -5.057 6.853 1.00 12.08 H new ATOM 0 HB3 LEU A 86 20.237 -4.394 6.437 1.00 12.08 H new ATOM 0 HG LEU A 86 19.427 -2.198 7.486 1.00 11.90 H new ATOM 0 HD11 LEU A 86 17.660 -2.403 9.184 1.00 11.97 H new ATOM 0 HD12 LEU A 86 17.040 -2.691 7.540 1.00 11.97 H new ATOM 0 HD13 LEU A 86 17.331 -4.064 8.634 1.00 11.97 H new ATOM 0 HD21 LEU A 86 19.984 -2.983 9.761 1.00 12.76 H new ATOM 0 HD22 LEU A 86 19.765 -4.666 9.226 1.00 12.76 H new ATOM 0 HD23 LEU A 86 21.074 -3.676 8.537 1.00 12.76 H new ATOM 1307 N GLY A 87 20.272 -4.006 3.571 1.00 11.89 N ATOM 1308 CA GLY A 87 20.818 -4.706 2.423 1.00 12.65 C ATOM 1309 C GLY A 87 22.236 -4.292 2.100 1.00 12.97 C ATOM 1310 O GLY A 87 22.592 -4.138 0.934 1.00 13.25 O ATOM 0 H GLY A 87 20.833 -3.223 3.907 1.00 11.89 H new ATOM 0 HA2 GLY A 87 20.793 -5.779 2.613 1.00 12.65 H new ATOM 0 HA3 GLY A 87 20.184 -4.520 1.556 1.00 12.65 H new ATOM 1314 N ARG A 88 23.047 -4.104 3.132 1.00 13.08 N ATOM 1315 CA ARG A 88 24.431 -3.682 2.941 1.00 13.46 C ATOM 1316 C ARG A 88 25.230 -4.727 2.179 1.00 14.71 C ATOM 1317 O ARG A 88 25.275 -5.898 2.560 1.00 15.30 O ATOM 1318 CB ARG A 88 25.118 -3.393 4.275 1.00 13.18 C ATOM 1319 CG ARG A 88 25.032 -4.513 5.299 1.00 13.67 C ATOM 1320 CD ARG A 88 26.354 -4.728 6.004 1.00 14.20 C ATOM 1321 NE ARG A 88 26.263 -5.753 7.040 1.00 14.90 N ATOM 1322 CZ ARG A 88 27.204 -5.973 7.955 1.00 15.63 C ATOM 1323 NH1 ARG A 88 28.312 -5.243 7.959 1.00 15.77 N1+ ATOM 1324 NH2 ARG A 88 27.034 -6.918 8.867 1.00 16.35 N ATOM 0 H ARG A 88 22.774 -4.236 4.106 1.00 13.08 H new ATOM 0 HA ARG A 88 24.400 -2.764 2.355 1.00 13.46 H new ATOM 0 HB2 ARG A 88 26.169 -3.175 4.085 1.00 13.18 H new ATOM 0 HB3 ARG A 88 24.678 -2.493 4.705 1.00 13.18 H new ATOM 0 HG2 ARG A 88 24.262 -4.277 6.033 1.00 13.67 H new ATOM 0 HG3 ARG A 88 24.729 -5.436 4.805 1.00 13.67 H new ATOM 0 HD2 ARG A 88 27.111 -5.017 5.275 1.00 14.20 H new ATOM 0 HD3 ARG A 88 26.683 -3.790 6.451 1.00 14.20 H new ATOM 0 HE ARG A 88 25.427 -6.336 7.064 1.00 14.90 H new ATOM 0 HH11 ARG A 88 28.444 -4.512 7.260 1.00 15.77 H new ATOM 0 HH12 ARG A 88 29.032 -5.413 8.661 1.00 15.77 H new ATOM 0 HH21 ARG A 88 26.181 -7.478 8.868 1.00 16.35 H new ATOM 0 HH22 ARG A 88 27.756 -7.086 9.568 1.00 16.35 H new ATOM 1338 N LEU A 89 25.864 -4.297 1.101 1.00 15.20 N ATOM 1339 CA LEU A 89 26.707 -5.181 0.320 1.00 16.46 C ATOM 1340 C LEU A 89 28.124 -4.629 0.293 1.00 16.93 C ATOM 1341 O LEU A 89 28.506 -3.917 -0.641 1.00 16.94 O ATOM 1342 CB LEU A 89 26.160 -5.293 -1.107 1.00 16.92 C ATOM 1343 CG LEU A 89 24.693 -5.718 -1.223 1.00 17.63 C ATOM 1344 CD1 LEU A 89 24.248 -5.701 -2.678 1.00 18.22 C ATOM 1345 CD2 LEU A 89 24.492 -7.100 -0.624 1.00 17.91 C ATOM 0 H LEU A 89 25.810 -3.341 0.748 1.00 15.20 H new ATOM 0 HA LEU A 89 26.714 -6.173 0.772 1.00 16.46 H new ATOM 0 HB2 LEU A 89 26.280 -4.328 -1.599 1.00 16.92 H new ATOM 0 HB3 LEU A 89 26.771 -6.009 -1.656 1.00 16.92 H new ATOM 0 HG LEU A 89 24.083 -5.007 -0.666 1.00 17.63 H new ATOM 0 HD11 LEU A 89 23.203 -6.006 -2.743 1.00 18.22 H new ATOM 0 HD12 LEU A 89 24.358 -4.694 -3.080 1.00 18.22 H new ATOM 0 HD13 LEU A 89 24.863 -6.391 -3.255 1.00 18.22 H new ATOM 0 HD21 LEU A 89 23.444 -7.387 -0.715 1.00 17.91 H new ATOM 0 HD22 LEU A 89 25.113 -7.821 -1.156 1.00 17.91 H new ATOM 0 HD23 LEU A 89 24.774 -7.085 0.429 1.00 17.91 H new ATOM 1357 N GLY A 90 28.896 -4.934 1.325 1.00 17.39 N ATOM 1358 CA GLY A 90 30.256 -4.446 1.397 1.00 17.91 C ATOM 1359 C GLY A 90 30.276 -3.100 2.065 1.00 17.35 C ATOM 1360 O GLY A 90 31.324 -2.480 2.248 1.00 17.38 O ATOM 0 H GLY A 90 28.604 -5.511 2.114 1.00 17.39 H new ATOM 0 HA2 GLY A 90 30.876 -5.149 1.954 1.00 17.91 H new ATOM 0 HA3 GLY A 90 30.680 -4.372 0.395 1.00 17.91 H new ATOM 1364 N SER A 91 29.088 -2.649 2.401 1.00 16.99 N ATOM 1365 CA SER A 91 28.896 -1.418 3.112 1.00 16.48 C ATOM 1366 C SER A 91 28.405 -1.693 4.525 1.00 15.54 C ATOM 1367 O SER A 91 28.288 -2.847 4.931 1.00 15.66 O ATOM 1368 CB SER A 91 27.927 -0.507 2.357 1.00 16.77 C ATOM 1369 OG SER A 91 26.788 -1.230 1.906 1.00 17.11 O ATOM 0 H SER A 91 28.220 -3.138 2.182 1.00 16.99 H new ATOM 0 HA SER A 91 29.854 -0.902 3.182 1.00 16.48 H new ATOM 0 HB2 SER A 91 27.610 0.309 3.006 1.00 16.77 H new ATOM 0 HB3 SER A 91 28.436 -0.056 1.505 1.00 16.77 H new ATOM 0 HG SER A 91 26.118 -0.603 1.562 1.00 17.11 H new ATOM 1375 N THR A 92 28.166 -0.645 5.267 1.00 14.73 N ATOM 1376 CA THR A 92 27.608 -0.744 6.603 1.00 13.85 C ATOM 1377 C THR A 92 26.120 -1.026 6.511 1.00 13.26 C ATOM 1378 O THR A 92 25.504 -0.786 5.471 1.00 13.32 O ATOM 1379 CB THR A 92 27.828 0.575 7.363 1.00 13.23 C ATOM 1380 OG1 THR A 92 29.165 1.050 7.142 1.00 13.97 O ATOM 1381 CG2 THR A 92 27.586 0.424 8.857 1.00 12.68 C ATOM 0 H THR A 92 28.352 0.312 4.966 1.00 14.73 H new ATOM 0 HA THR A 92 28.104 -1.555 7.137 1.00 13.85 H new ATOM 0 HB THR A 92 27.105 1.295 6.979 1.00 13.23 H new ATOM 0 HG1 THR A 92 29.298 1.891 7.627 1.00 13.97 H new ATOM 0 HG21 THR A 92 27.753 1.381 9.351 1.00 12.68 H new ATOM 0 HG22 THR A 92 26.559 0.102 9.028 1.00 12.68 H new ATOM 0 HG23 THR A 92 28.272 -0.319 9.263 1.00 12.68 H new ATOM 1389 N GLU A 93 25.556 -1.542 7.592 1.00 12.87 N ATOM 1390 CA GLU A 93 24.141 -1.890 7.630 1.00 12.37 C ATOM 1391 C GLU A 93 23.288 -0.679 7.355 1.00 11.13 C ATOM 1392 O GLU A 93 23.015 0.132 8.237 1.00 10.78 O ATOM 1393 CB GLU A 93 23.741 -2.555 8.945 1.00 13.03 C ATOM 1394 CG GLU A 93 23.720 -4.068 8.847 1.00 13.80 C ATOM 1395 CD GLU A 93 23.506 -4.757 10.182 1.00 14.57 C ATOM 1396 OE1 GLU A 93 23.978 -4.239 11.215 1.00 14.94 O ATOM 1397 OE2 GLU A 93 22.869 -5.833 10.201 1.00 14.92 O1- ATOM 0 H GLU A 93 26.058 -1.730 8.460 1.00 12.87 H new ATOM 0 HA GLU A 93 23.969 -2.623 6.842 1.00 12.37 H new ATOM 0 HB2 GLU A 93 24.438 -2.254 9.727 1.00 13.03 H new ATOM 0 HB3 GLU A 93 22.755 -2.200 9.243 1.00 13.03 H new ATOM 0 HG2 GLU A 93 22.929 -4.369 8.161 1.00 13.80 H new ATOM 0 HG3 GLU A 93 24.662 -4.410 8.417 1.00 13.80 H new ATOM 1404 N ARG A 94 22.876 -0.576 6.114 1.00 10.57 N ATOM 1405 CA ARG A 94 22.159 0.579 5.637 1.00 9.39 C ATOM 1406 C ARG A 94 20.730 0.209 5.295 1.00 8.96 C ATOM 1407 O ARG A 94 20.374 -0.973 5.271 1.00 9.64 O ATOM 1408 CB ARG A 94 22.869 1.154 4.411 1.00 9.13 C ATOM 1409 CG ARG A 94 23.216 2.631 4.516 1.00 9.07 C ATOM 1410 CD ARG A 94 24.199 2.927 5.647 1.00 9.14 C ATOM 1411 NE ARG A 94 23.557 2.963 6.963 1.00 9.49 N ATOM 1412 CZ ARG A 94 24.201 3.243 8.099 1.00 9.84 C ATOM 1413 NH1 ARG A 94 25.494 3.536 8.075 1.00 9.96 N1+ ATOM 1414 NH2 ARG A 94 23.548 3.244 9.257 1.00 10.27 N ATOM 0 H ARG A 94 23.030 -1.294 5.406 1.00 10.57 H new ATOM 0 HA ARG A 94 22.138 1.334 6.422 1.00 9.39 H new ATOM 0 HB2 ARG A 94 23.786 0.590 4.241 1.00 9.13 H new ATOM 0 HB3 ARG A 94 22.235 1.004 3.537 1.00 9.13 H new ATOM 0 HG2 ARG A 94 23.643 2.968 3.571 1.00 9.07 H new ATOM 0 HG3 ARG A 94 22.303 3.204 4.675 1.00 9.07 H new ATOM 0 HD2 ARG A 94 24.981 2.168 5.650 1.00 9.14 H new ATOM 0 HD3 ARG A 94 24.685 3.884 5.459 1.00 9.14 H new ATOM 0 HE ARG A 94 22.558 2.762 7.015 1.00 9.49 H new ATOM 0 HH11 ARG A 94 25.998 3.548 7.188 1.00 9.96 H new ATOM 0 HH12 ARG A 94 25.985 3.750 8.943 1.00 9.96 H new ATOM 0 HH21 ARG A 94 22.551 3.030 9.280 1.00 10.27 H new ATOM 0 HH22 ARG A 94 24.044 3.458 10.122 1.00 10.27 H new ATOM 1428 N LEU A 95 19.923 1.216 5.040 1.00 7.97 N ATOM 1429 CA LEU A 95 18.538 1.006 4.675 1.00 7.54 C ATOM 1430 C LEU A 95 18.397 1.149 3.163 1.00 6.99 C ATOM 1431 O LEU A 95 18.588 2.224 2.608 1.00 6.27 O ATOM 1432 CB LEU A 95 17.653 2.040 5.391 1.00 6.93 C ATOM 1433 CG LEU A 95 17.656 2.006 6.930 1.00 7.79 C ATOM 1434 CD1 LEU A 95 17.561 0.578 7.450 1.00 8.88 C ATOM 1435 CD2 LEU A 95 18.885 2.710 7.494 1.00 7.89 C ATOM 0 H LEU A 95 20.205 2.196 5.079 1.00 7.97 H new ATOM 0 HA LEU A 95 18.221 0.007 4.975 1.00 7.54 H new ATOM 0 HB2 LEU A 95 17.966 3.034 5.072 1.00 6.93 H new ATOM 0 HB3 LEU A 95 16.627 1.904 5.050 1.00 6.93 H new ATOM 0 HG LEU A 95 16.773 2.546 7.273 1.00 7.79 H new ATOM 0 HD11 LEU A 95 17.565 0.587 8.540 1.00 8.88 H new ATOM 0 HD12 LEU A 95 16.637 0.122 7.094 1.00 8.88 H new ATOM 0 HD13 LEU A 95 18.413 0.002 7.088 1.00 8.88 H new ATOM 0 HD21 LEU A 95 18.860 2.670 8.583 1.00 7.89 H new ATOM 0 HD22 LEU A 95 19.786 2.214 7.134 1.00 7.89 H new ATOM 0 HD23 LEU A 95 18.889 3.750 7.169 1.00 7.89 H new ATOM 1447 N LEU A 96 18.074 0.047 2.504 1.00 7.59 N ATOM 1448 CA LEU A 96 18.007 0.012 1.053 1.00 7.52 C ATOM 1449 C LEU A 96 16.615 0.374 0.567 1.00 6.76 C ATOM 1450 O LEU A 96 15.613 -0.197 1.008 1.00 6.96 O ATOM 1451 CB LEU A 96 18.403 -1.378 0.534 1.00 8.83 C ATOM 1452 CG LEU A 96 19.894 -1.580 0.220 1.00 9.65 C ATOM 1453 CD1 LEU A 96 20.324 -0.692 -0.937 1.00 9.37 C ATOM 1454 CD2 LEU A 96 20.753 -1.318 1.453 1.00 9.78 C ATOM 0 H LEU A 96 17.853 -0.840 2.956 1.00 7.59 H new ATOM 0 HA LEU A 96 18.709 0.748 0.663 1.00 7.52 H new ATOM 0 HB2 LEU A 96 18.104 -2.119 1.275 1.00 8.83 H new ATOM 0 HB3 LEU A 96 17.830 -1.583 -0.371 1.00 8.83 H new ATOM 0 HG LEU A 96 20.039 -2.619 -0.075 1.00 9.65 H new ATOM 0 HD11 LEU A 96 21.383 -0.850 -1.143 1.00 9.37 H new ATOM 0 HD12 LEU A 96 19.740 -0.941 -1.823 1.00 9.37 H new ATOM 0 HD13 LEU A 96 20.158 0.353 -0.675 1.00 9.37 H new ATOM 0 HD21 LEU A 96 21.803 -1.468 1.203 1.00 9.78 H new ATOM 0 HD22 LEU A 96 20.603 -0.292 1.790 1.00 9.78 H new ATOM 0 HD23 LEU A 96 20.467 -2.006 2.248 1.00 9.78 H new ATOM 1466 N VAL A 97 16.578 1.310 -0.366 1.00 6.13 N ATOM 1467 CA VAL A 97 15.343 1.831 -0.934 1.00 5.45 C ATOM 1468 C VAL A 97 15.564 2.081 -2.410 1.00 5.86 C ATOM 1469 O VAL A 97 16.703 2.157 -2.849 1.00 6.40 O ATOM 1470 CB VAL A 97 14.937 3.170 -0.276 1.00 4.23 C ATOM 1471 CG1 VAL A 97 14.697 3.004 1.217 1.00 4.19 C ATOM 1472 CG2 VAL A 97 16.003 4.219 -0.542 1.00 4.01 C ATOM 0 H VAL A 97 17.418 1.737 -0.757 1.00 6.13 H new ATOM 0 HA VAL A 97 14.551 1.102 -0.761 1.00 5.45 H new ATOM 0 HB VAL A 97 13.998 3.501 -0.719 1.00 4.23 H new ATOM 0 HG11 VAL A 97 14.413 3.964 1.649 1.00 4.19 H new ATOM 0 HG12 VAL A 97 13.896 2.282 1.379 1.00 4.19 H new ATOM 0 HG13 VAL A 97 15.609 2.647 1.695 1.00 4.19 H new ATOM 0 HG21 VAL A 97 15.711 5.160 -0.076 1.00 4.01 H new ATOM 0 HG22 VAL A 97 16.953 3.886 -0.124 1.00 4.01 H new ATOM 0 HG23 VAL A 97 16.110 4.364 -1.617 1.00 4.01 H new ATOM 1482 N PRO A 98 14.501 2.201 -3.204 1.00 5.92 N ATOM 1483 CA PRO A 98 14.629 2.601 -4.603 1.00 6.55 C ATOM 1484 C PRO A 98 15.254 3.992 -4.707 1.00 6.22 C ATOM 1485 O PRO A 98 14.869 4.902 -3.971 1.00 5.29 O ATOM 1486 CB PRO A 98 13.180 2.602 -5.103 1.00 6.53 C ATOM 1487 CG PRO A 98 12.460 1.708 -4.155 1.00 6.39 C ATOM 1488 CD PRO A 98 13.103 1.959 -2.828 1.00 5.71 C ATOM 0 HA PRO A 98 15.274 1.943 -5.185 1.00 6.55 H new ATOM 0 HB2 PRO A 98 12.759 3.607 -5.099 1.00 6.53 H new ATOM 0 HB3 PRO A 98 13.113 2.233 -6.126 1.00 6.53 H new ATOM 0 HG2 PRO A 98 11.395 1.937 -4.128 1.00 6.39 H new ATOM 0 HG3 PRO A 98 12.554 0.663 -4.449 1.00 6.39 H new ATOM 0 HD2 PRO A 98 12.664 2.816 -2.318 1.00 5.71 H new ATOM 0 HD3 PRO A 98 13.003 1.105 -2.159 1.00 5.71 H new ATOM 1496 N SER A 99 16.215 4.169 -5.602 1.00 7.21 N ATOM 1497 CA SER A 99 16.925 5.437 -5.699 1.00 7.37 C ATOM 1498 C SER A 99 15.997 6.548 -6.193 1.00 7.21 C ATOM 1499 O SER A 99 16.213 7.726 -5.906 1.00 7.21 O ATOM 1500 CB SER A 99 18.136 5.296 -6.624 1.00 8.73 C ATOM 1501 OG SER A 99 17.795 4.559 -7.787 1.00 9.29 O ATOM 0 H SER A 99 16.520 3.458 -6.266 1.00 7.21 H new ATOM 0 HA SER A 99 17.275 5.710 -4.704 1.00 7.37 H new ATOM 0 HB2 SER A 99 18.501 6.283 -6.907 1.00 8.73 H new ATOM 0 HB3 SER A 99 18.948 4.796 -6.095 1.00 8.73 H new ATOM 0 HG SER A 99 18.581 4.481 -8.367 1.00 9.29 H new ATOM 1507 N GLU A 100 14.950 6.169 -6.906 1.00 7.31 N ATOM 1508 CA GLU A 100 13.976 7.134 -7.387 1.00 7.41 C ATOM 1509 C GLU A 100 12.839 7.317 -6.383 1.00 6.33 C ATOM 1510 O GLU A 100 11.859 8.003 -6.671 1.00 6.56 O ATOM 1511 CB GLU A 100 13.437 6.706 -8.750 1.00 8.22 C ATOM 1512 CG GLU A 100 14.528 6.511 -9.794 1.00 9.47 C ATOM 1513 CD GLU A 100 13.993 5.996 -11.109 1.00 10.34 C ATOM 1514 OE1 GLU A 100 13.586 6.823 -11.949 1.00 10.86 O ATOM 1515 OE2 GLU A 100 13.972 4.763 -11.309 1.00 10.65 O1- ATOM 0 H GLU A 100 14.753 5.202 -7.164 1.00 7.31 H new ATOM 0 HA GLU A 100 14.474 8.097 -7.499 1.00 7.41 H new ATOM 0 HB2 GLU A 100 12.881 5.775 -8.637 1.00 8.22 H new ATOM 0 HB3 GLU A 100 12.732 7.457 -9.107 1.00 8.22 H new ATOM 0 HG2 GLU A 100 15.039 7.459 -9.961 1.00 9.47 H new ATOM 0 HG3 GLU A 100 15.271 5.812 -9.410 1.00 9.47 H new ATOM 1522 N ALA A 101 12.966 6.723 -5.209 1.00 5.34 N ATOM 1523 CA ALA A 101 11.960 6.901 -4.172 1.00 4.45 C ATOM 1524 C ALA A 101 12.231 8.167 -3.375 1.00 4.45 C ATOM 1525 O ALA A 101 11.314 8.933 -3.064 1.00 4.62 O ATOM 1526 CB ALA A 101 11.924 5.694 -3.249 1.00 3.75 C ATOM 0 H ALA A 101 13.746 6.119 -4.950 1.00 5.34 H new ATOM 0 HA ALA A 101 10.987 6.997 -4.654 1.00 4.45 H new ATOM 0 HB1 ALA A 101 11.166 5.846 -2.481 1.00 3.75 H new ATOM 0 HB2 ALA A 101 11.682 4.802 -3.826 1.00 3.75 H new ATOM 0 HB3 ALA A 101 12.898 5.568 -2.777 1.00 3.75 H new ATOM 1532 N LEU A 102 13.502 8.402 -3.089 1.00 4.73 N ATOM 1533 CA LEU A 102 13.899 9.495 -2.227 1.00 5.07 C ATOM 1534 C LEU A 102 13.986 10.806 -2.991 1.00 6.33 C ATOM 1535 O LEU A 102 14.054 10.823 -4.222 1.00 6.97 O ATOM 1536 CB LEU A 102 15.219 9.172 -1.513 1.00 4.90 C ATOM 1537 CG LEU A 102 16.397 8.748 -2.407 1.00 5.36 C ATOM 1538 CD1 LEU A 102 17.067 9.952 -3.059 1.00 6.64 C ATOM 1539 CD2 LEU A 102 17.416 7.966 -1.596 1.00 4.98 C ATOM 0 H LEU A 102 14.278 7.844 -3.446 1.00 4.73 H new ATOM 0 HA LEU A 102 13.127 9.619 -1.467 1.00 5.07 H new ATOM 0 HB2 LEU A 102 15.522 10.050 -0.943 1.00 4.90 H new ATOM 0 HB3 LEU A 102 15.032 8.374 -0.794 1.00 4.90 H new ATOM 0 HG LEU A 102 16.000 8.113 -3.199 1.00 5.36 H new ATOM 0 HD11 LEU A 102 17.894 9.614 -3.683 1.00 6.64 H new ATOM 0 HD12 LEU A 102 16.341 10.483 -3.675 1.00 6.64 H new ATOM 0 HD13 LEU A 102 17.445 10.621 -2.286 1.00 6.64 H new ATOM 0 HD21 LEU A 102 18.245 7.672 -2.240 1.00 4.98 H new ATOM 0 HD22 LEU A 102 17.791 8.589 -0.784 1.00 4.98 H new ATOM 0 HD23 LEU A 102 16.945 7.075 -1.181 1.00 4.98 H new ATOM 1551 N ILE A 103 13.981 11.894 -2.252 1.00 6.87 N ATOM 1552 CA ILE A 103 14.092 13.216 -2.825 1.00 8.18 C ATOM 1553 C ILE A 103 15.486 13.767 -2.592 1.00 8.75 C ATOM 1554 O ILE A 103 15.911 13.910 -1.451 1.00 8.67 O ATOM 1555 CB ILE A 103 13.083 14.191 -2.184 1.00 8.80 C ATOM 1556 CG1 ILE A 103 11.645 13.660 -2.285 1.00 8.52 C ATOM 1557 CG2 ILE A 103 13.207 15.573 -2.801 1.00 10.20 C ATOM 1558 CD1 ILE A 103 11.273 13.122 -3.650 1.00 8.14 C ATOM 0 H ILE A 103 13.900 11.886 -1.235 1.00 6.87 H new ATOM 0 HA ILE A 103 13.884 13.127 -3.891 1.00 8.18 H new ATOM 0 HB ILE A 103 13.322 14.272 -1.124 1.00 8.80 H new ATOM 0 HG12 ILE A 103 11.510 12.870 -1.547 1.00 8.52 H new ATOM 0 HG13 ILE A 103 10.955 14.462 -2.023 1.00 8.52 H new ATOM 0 HG21 ILE A 103 12.487 16.245 -2.335 1.00 10.20 H new ATOM 0 HG22 ILE A 103 14.216 15.954 -2.641 1.00 10.20 H new ATOM 0 HG23 ILE A 103 13.008 15.513 -3.871 1.00 10.20 H new ATOM 0 HD11 ILE A 103 10.242 12.768 -3.633 1.00 8.14 H new ATOM 0 HD12 ILE A 103 11.373 13.914 -4.393 1.00 8.14 H new ATOM 0 HD13 ILE A 103 11.936 12.296 -3.909 1.00 8.14 H new ATOM 1570 N ARG A 104 16.208 14.072 -3.652 1.00 9.50 N ATOM 1571 CA ARG A 104 17.479 14.743 -3.483 1.00 10.25 C ATOM 1572 C ARG A 104 17.302 16.238 -3.656 1.00 11.48 C ATOM 1573 O ARG A 104 16.855 16.704 -4.702 1.00 12.12 O ATOM 1574 CB ARG A 104 18.562 14.200 -4.424 1.00 10.50 C ATOM 1575 CG ARG A 104 19.536 13.246 -3.747 1.00 9.82 C ATOM 1576 CD ARG A 104 20.363 13.971 -2.699 1.00 9.98 C ATOM 1577 NE ARG A 104 21.354 13.107 -2.062 1.00 10.43 N ATOM 1578 CZ ARG A 104 22.335 13.559 -1.280 1.00 10.83 C ATOM 1579 NH1 ARG A 104 22.477 14.860 -1.069 1.00 10.83 N1+ ATOM 1580 NH2 ARG A 104 23.178 12.712 -0.714 1.00 11.42 N ATOM 0 H ARG A 104 15.944 13.872 -4.617 1.00 9.50 H new ATOM 0 HA ARG A 104 17.826 14.540 -2.470 1.00 10.25 H new ATOM 0 HB2 ARG A 104 18.083 13.686 -5.257 1.00 10.50 H new ATOM 0 HB3 ARG A 104 19.119 15.037 -4.844 1.00 10.50 H new ATOM 0 HG2 ARG A 104 18.986 12.428 -3.281 1.00 9.82 H new ATOM 0 HG3 ARG A 104 20.195 12.802 -4.493 1.00 9.82 H new ATOM 0 HD2 ARG A 104 20.870 14.816 -3.164 1.00 9.98 H new ATOM 0 HD3 ARG A 104 19.699 14.378 -1.936 1.00 9.98 H new ATOM 0 HE ARG A 104 21.292 12.102 -2.224 1.00 10.43 H new ATOM 0 HH11 ARG A 104 21.834 15.521 -1.506 1.00 10.83 H new ATOM 0 HH12 ARG A 104 23.229 15.200 -0.470 1.00 10.83 H new ATOM 0 HH21 ARG A 104 23.079 11.710 -0.875 1.00 11.42 H new ATOM 0 HH22 ARG A 104 23.927 13.061 -0.116 1.00 11.42 H new ATOM 1594 N THR A 105 17.645 16.984 -2.622 1.00 11.91 N ATOM 1595 CA THR A 105 17.502 18.423 -2.646 1.00 13.15 C ATOM 1596 C THR A 105 18.605 19.080 -1.821 1.00 13.72 C ATOM 1597 O THR A 105 18.994 18.571 -0.768 1.00 13.20 O ATOM 1598 CB THR A 105 16.112 18.858 -2.131 1.00 13.31 C ATOM 1599 OG1 THR A 105 15.997 20.285 -2.146 1.00 14.61 O ATOM 1600 CG2 THR A 105 15.851 18.337 -0.723 1.00 12.61 C ATOM 0 H THR A 105 18.026 16.612 -1.752 1.00 11.91 H new ATOM 0 HA THR A 105 17.593 18.752 -3.681 1.00 13.15 H new ATOM 0 HB THR A 105 15.366 18.428 -2.799 1.00 13.31 H new ATOM 0 HG1 THR A 105 15.111 20.545 -1.819 1.00 14.61 H new ATOM 0 HG21 THR A 105 14.865 18.662 -0.392 1.00 12.61 H new ATOM 0 HG22 THR A 105 15.893 17.248 -0.724 1.00 12.61 H new ATOM 0 HG23 THR A 105 16.609 18.728 -0.044 1.00 12.61 H new ATOM 1608 N GLY A 106 19.122 20.193 -2.320 1.00 14.84 N ATOM 1609 CA GLY A 106 20.160 20.919 -1.615 1.00 15.52 C ATOM 1610 C GLY A 106 21.377 20.061 -1.327 1.00 14.91 C ATOM 1611 O GLY A 106 22.098 19.667 -2.247 1.00 14.86 O ATOM 0 H GLY A 106 18.839 20.609 -3.207 1.00 14.84 H new ATOM 0 HA2 GLY A 106 20.461 21.783 -2.208 1.00 15.52 H new ATOM 0 HA3 GLY A 106 19.758 21.301 -0.676 1.00 15.52 H new ATOM 1615 N ALA A 107 21.611 19.782 -0.054 1.00 14.57 N ATOM 1616 CA ALA A 107 22.736 18.951 0.352 1.00 14.09 C ATOM 1617 C ALA A 107 22.281 17.726 1.141 1.00 12.88 C ATOM 1618 O ALA A 107 23.018 17.218 1.990 1.00 12.64 O ATOM 1619 CB ALA A 107 23.717 19.771 1.171 1.00 14.99 C ATOM 0 H ALA A 107 21.036 20.119 0.718 1.00 14.57 H new ATOM 0 HA ALA A 107 23.229 18.593 -0.552 1.00 14.09 H new ATOM 0 HB1 ALA A 107 24.555 19.142 1.471 1.00 14.99 H new ATOM 0 HB2 ALA A 107 24.084 20.604 0.572 1.00 14.99 H new ATOM 0 HB3 ALA A 107 23.217 20.156 2.059 1.00 14.99 H new ATOM 1625 N ARG A 108 21.077 17.243 0.863 1.00 12.19 N ATOM 1626 CA ARG A 108 20.503 16.151 1.644 1.00 11.09 C ATOM 1627 C ARG A 108 19.345 15.484 0.905 1.00 10.26 C ATOM 1628 O ARG A 108 19.036 15.828 -0.235 1.00 10.63 O ATOM 1629 CB ARG A 108 20.052 16.687 3.010 1.00 11.48 C ATOM 1630 CG ARG A 108 19.432 18.075 2.954 1.00 12.49 C ATOM 1631 CD ARG A 108 18.005 18.039 2.439 1.00 12.62 C ATOM 1632 NE ARG A 108 17.447 19.378 2.277 1.00 13.67 N ATOM 1633 CZ ARG A 108 16.471 19.879 3.034 1.00 14.22 C ATOM 1634 NH1 ARG A 108 16.031 19.208 4.091 1.00 13.92 N1+ ATOM 1635 NH2 ARG A 108 15.964 21.070 2.749 1.00 15.20 N ATOM 0 H ARG A 108 20.482 17.586 0.109 1.00 12.19 H new ATOM 0 HA ARG A 108 21.266 15.387 1.793 1.00 11.09 H new ATOM 0 HB2 ARG A 108 19.329 15.994 3.440 1.00 11.48 H new ATOM 0 HB3 ARG A 108 20.910 16.710 3.682 1.00 11.48 H new ATOM 0 HG2 ARG A 108 19.447 18.519 3.949 1.00 12.49 H new ATOM 0 HG3 ARG A 108 20.034 18.715 2.310 1.00 12.49 H new ATOM 0 HD2 ARG A 108 17.978 17.517 1.482 1.00 12.62 H new ATOM 0 HD3 ARG A 108 17.384 17.469 3.131 1.00 12.62 H new ATOM 0 HE ARG A 108 17.828 19.968 1.537 1.00 13.67 H new ATOM 0 HH11 ARG A 108 16.440 18.304 4.328 1.00 13.92 H new ATOM 0 HH12 ARG A 108 15.284 19.596 4.667 1.00 13.92 H new ATOM 0 HH21 ARG A 108 16.321 21.599 1.953 1.00 15.20 H new ATOM 0 HH22 ARG A 108 15.217 21.457 3.325 1.00 15.20 H new ATOM 1649 N THR A 109 18.719 14.523 1.566 1.00 9.26 N ATOM 1650 CA THR A 109 17.659 13.734 0.961 1.00 8.38 C ATOM 1651 C THR A 109 16.395 13.786 1.818 1.00 8.15 C ATOM 1652 O THR A 109 16.469 13.913 3.035 1.00 8.42 O ATOM 1653 CB THR A 109 18.116 12.268 0.795 1.00 7.38 C ATOM 1654 OG1 THR A 109 19.343 12.221 0.055 1.00 7.95 O ATOM 1655 CG2 THR A 109 17.060 11.440 0.084 1.00 6.64 C ATOM 0 H THR A 109 18.930 14.269 2.531 1.00 9.26 H new ATOM 0 HA THR A 109 17.436 14.154 -0.020 1.00 8.38 H new ATOM 0 HB THR A 109 18.269 11.847 1.789 1.00 7.38 H new ATOM 0 HG1 THR A 109 19.204 11.724 -0.778 1.00 7.95 H new ATOM 0 HG21 THR A 109 17.411 10.413 -0.018 1.00 6.64 H new ATOM 0 HG22 THR A 109 16.137 11.452 0.663 1.00 6.64 H new ATOM 0 HG23 THR A 109 16.873 11.860 -0.905 1.00 6.64 H new ATOM 1663 N ILE A 110 15.241 13.717 1.171 1.00 7.89 N ATOM 1664 CA ILE A 110 13.964 13.671 1.873 1.00 7.87 C ATOM 1665 C ILE A 110 13.182 12.439 1.421 1.00 6.75 C ATOM 1666 O ILE A 110 13.364 11.969 0.303 1.00 6.24 O ATOM 1667 CB ILE A 110 13.106 14.931 1.598 1.00 9.02 C ATOM 1668 CG1 ILE A 110 13.911 16.219 1.810 1.00 10.20 C ATOM 1669 CG2 ILE A 110 11.866 14.939 2.481 1.00 9.31 C ATOM 1670 CD1 ILE A 110 14.415 16.404 3.225 1.00 10.55 C ATOM 0 H ILE A 110 15.161 13.691 0.154 1.00 7.89 H new ATOM 0 HA ILE A 110 14.176 13.628 2.941 1.00 7.87 H new ATOM 0 HB ILE A 110 12.798 14.894 0.553 1.00 9.02 H new ATOM 0 HG12 ILE A 110 14.762 16.220 1.129 1.00 10.20 H new ATOM 0 HG13 ILE A 110 13.288 17.073 1.543 1.00 10.20 H new ATOM 0 HG21 ILE A 110 11.277 15.832 2.273 1.00 9.31 H new ATOM 0 HG22 ILE A 110 11.267 14.052 2.275 1.00 9.31 H new ATOM 0 HG23 ILE A 110 12.166 14.938 3.529 1.00 9.31 H new ATOM 0 HD11 ILE A 110 14.974 17.337 3.293 1.00 10.55 H new ATOM 0 HD12 ILE A 110 13.569 16.437 3.911 1.00 10.55 H new ATOM 0 HD13 ILE A 110 15.066 15.571 3.491 1.00 10.55 H new ATOM 1682 N ALA A 111 12.331 11.911 2.283 1.00 6.58 N ATOM 1683 CA ALA A 111 11.495 10.774 1.926 1.00 5.74 C ATOM 1684 C ALA A 111 10.072 10.977 2.423 1.00 6.51 C ATOM 1685 O ALA A 111 9.867 11.381 3.558 1.00 7.39 O ATOM 1686 CB ALA A 111 12.067 9.495 2.507 1.00 5.00 C ATOM 0 H ALA A 111 12.199 12.250 3.236 1.00 6.58 H new ATOM 0 HA ALA A 111 11.477 10.693 0.839 1.00 5.74 H new ATOM 0 HB1 ALA A 111 11.431 8.654 2.231 1.00 5.00 H new ATOM 0 HB2 ALA A 111 13.071 9.334 2.115 1.00 5.00 H new ATOM 0 HB3 ALA A 111 12.111 9.576 3.593 1.00 5.00 H new ATOM 1692 N MET A 112 9.094 10.707 1.573 1.00 6.37 N ATOM 1693 CA MET A 112 7.696 10.788 1.981 1.00 7.19 C ATOM 1694 C MET A 112 7.217 9.410 2.428 1.00 6.90 C ATOM 1695 O MET A 112 6.939 8.536 1.604 1.00 6.29 O ATOM 1696 CB MET A 112 6.817 11.295 0.837 1.00 7.48 C ATOM 1697 CG MET A 112 7.156 12.703 0.382 1.00 8.19 C ATOM 1698 SD MET A 112 5.812 13.470 -0.540 1.00 8.85 S ATOM 1699 CE MET A 112 5.477 12.222 -1.780 1.00 8.24 C ATOM 0 H MET A 112 9.238 10.431 0.602 1.00 6.37 H new ATOM 0 HA MET A 112 7.618 11.494 2.808 1.00 7.19 H new ATOM 0 HB2 MET A 112 6.913 10.616 -0.011 1.00 7.48 H new ATOM 0 HB3 MET A 112 5.774 11.266 1.152 1.00 7.48 H new ATOM 0 HG2 MET A 112 7.392 13.316 1.252 1.00 8.19 H new ATOM 0 HG3 MET A 112 8.050 12.675 -0.241 1.00 8.19 H new ATOM 0 HE1 MET A 112 4.678 12.566 -2.436 1.00 8.24 H new ATOM 0 HE2 MET A 112 6.377 12.042 -2.368 1.00 8.24 H new ATOM 0 HE3 MET A 112 5.172 11.297 -1.292 1.00 8.24 H new ATOM 1709 N VAL A 113 7.155 9.219 3.739 1.00 7.60 N ATOM 1710 CA VAL A 113 6.836 7.931 4.326 1.00 7.75 C ATOM 1711 C VAL A 113 5.328 7.726 4.428 1.00 8.59 C ATOM 1712 O VAL A 113 4.588 8.647 4.780 1.00 9.48 O ATOM 1713 CB VAL A 113 7.475 7.797 5.728 1.00 8.42 C ATOM 1714 CG1 VAL A 113 6.785 8.691 6.749 1.00 9.69 C ATOM 1715 CG2 VAL A 113 7.475 6.351 6.184 1.00 8.72 C ATOM 0 H VAL A 113 7.325 9.956 4.424 1.00 7.60 H new ATOM 0 HA VAL A 113 7.246 7.163 3.670 1.00 7.75 H new ATOM 0 HB VAL A 113 8.510 8.131 5.651 1.00 8.42 H new ATOM 0 HG11 VAL A 113 7.262 8.569 7.721 1.00 9.69 H new ATOM 0 HG12 VAL A 113 6.864 9.732 6.434 1.00 9.69 H new ATOM 0 HG13 VAL A 113 5.733 8.414 6.824 1.00 9.69 H new ATOM 0 HG21 VAL A 113 7.929 6.281 7.172 1.00 8.72 H new ATOM 0 HG22 VAL A 113 6.450 5.984 6.229 1.00 8.72 H new ATOM 0 HG23 VAL A 113 8.046 5.747 5.479 1.00 8.72 H new ATOM 1725 N ALA A 114 4.882 6.520 4.112 1.00 8.43 N ATOM 1726 CA ALA A 114 3.472 6.181 4.188 1.00 9.31 C ATOM 1727 C ALA A 114 3.036 5.991 5.632 1.00 10.44 C ATOM 1728 O ALA A 114 3.212 4.918 6.210 1.00 10.70 O ATOM 1729 CB ALA A 114 3.182 4.924 3.379 1.00 8.96 C ATOM 0 H ALA A 114 5.481 5.756 3.799 1.00 8.43 H new ATOM 0 HA ALA A 114 2.902 7.009 3.765 1.00 9.31 H new ATOM 0 HB1 ALA A 114 2.121 4.684 3.447 1.00 8.96 H new ATOM 0 HB2 ALA A 114 3.450 5.093 2.336 1.00 8.96 H new ATOM 0 HB3 ALA A 114 3.767 4.094 3.774 1.00 8.96 H new ATOM 1735 N LYS A 115 2.495 7.046 6.218 1.00 11.26 N ATOM 1736 CA LYS A 115 1.949 6.975 7.565 1.00 12.43 C ATOM 1737 C LYS A 115 0.560 6.361 7.543 1.00 13.26 C ATOM 1738 O LYS A 115 -0.090 6.287 6.498 1.00 13.19 O ATOM 1739 CB LYS A 115 1.861 8.366 8.193 1.00 13.13 C ATOM 1740 CG LYS A 115 3.180 8.898 8.722 1.00 13.19 C ATOM 1741 CD LYS A 115 2.971 10.195 9.485 1.00 14.08 C ATOM 1742 CE LYS A 115 4.255 10.685 10.139 1.00 14.36 C ATOM 1743 NZ LYS A 115 4.053 11.959 10.878 1.00 14.88 N1+ ATOM 0 H LYS A 115 2.422 7.965 5.781 1.00 11.26 H new ATOM 0 HA LYS A 115 2.619 6.353 8.159 1.00 12.43 H new ATOM 0 HB2 LYS A 115 1.473 9.063 7.450 1.00 13.13 H new ATOM 0 HB3 LYS A 115 1.140 8.338 9.010 1.00 13.13 H new ATOM 0 HG2 LYS A 115 3.641 8.157 9.375 1.00 13.19 H new ATOM 0 HG3 LYS A 115 3.869 9.065 7.894 1.00 13.19 H new ATOM 0 HD2 LYS A 115 2.596 10.960 8.805 1.00 14.08 H new ATOM 0 HD3 LYS A 115 2.208 10.047 10.250 1.00 14.08 H new ATOM 0 HE2 LYS A 115 4.626 9.923 10.825 1.00 14.36 H new ATOM 0 HE3 LYS A 115 5.020 10.826 9.375 1.00 14.36 H new ATOM 0 HZ1 LYS A 115 4.952 12.257 11.308 1.00 14.88 H new ATOM 0 HZ2 LYS A 115 3.723 12.694 10.220 1.00 14.88 H new ATOM 0 HZ3 LYS A 115 3.342 11.819 11.624 1.00 14.88 H new ATOM 1757 N GLY A 116 0.109 5.931 8.714 1.00 14.15 N ATOM 1758 CA GLY A 116 -1.221 5.386 8.847 1.00 15.10 C ATOM 1759 C GLY A 116 -2.245 6.477 9.070 1.00 16.02 C ATOM 1760 O GLY A 116 -3.371 6.210 9.483 1.00 16.92 O ATOM 0 H GLY A 116 0.649 5.952 9.579 1.00 14.15 H new ATOM 0 HA2 GLY A 116 -1.477 4.823 7.949 1.00 15.10 H new ATOM 0 HA3 GLY A 116 -1.247 4.685 9.681 1.00 15.10 H new ATOM 1764 N GLU A 117 -1.841 7.711 8.799 1.00 15.88 N ATOM 1765 CA GLU A 117 -2.725 8.856 8.933 1.00 16.82 C ATOM 1766 C GLU A 117 -3.253 9.289 7.570 1.00 16.56 C ATOM 1767 O GLU A 117 -3.834 10.364 7.418 1.00 17.25 O ATOM 1768 CB GLU A 117 -2.002 10.014 9.616 1.00 17.04 C ATOM 1769 CG GLU A 117 -1.526 9.662 11.011 1.00 17.42 C ATOM 1770 CD GLU A 117 -0.984 10.853 11.768 1.00 17.95 C ATOM 1771 OE1 GLU A 117 -1.787 11.633 12.322 1.00 18.56 O ATOM 1772 OE2 GLU A 117 0.254 11.013 11.821 1.00 17.82 O1- ATOM 0 H GLU A 117 -0.899 7.943 8.483 1.00 15.88 H new ATOM 0 HA GLU A 117 -3.572 8.563 9.553 1.00 16.82 H new ATOM 0 HB2 GLU A 117 -1.147 10.313 9.009 1.00 17.04 H new ATOM 0 HB3 GLU A 117 -2.670 10.873 9.670 1.00 17.04 H new ATOM 0 HG2 GLU A 117 -2.353 9.227 11.572 1.00 17.42 H new ATOM 0 HG3 GLU A 117 -0.751 8.898 10.943 1.00 17.42 H new ATOM 1779 N GLY A 118 -3.025 8.434 6.578 1.00 15.62 N ATOM 1780 CA GLY A 118 -3.577 8.648 5.256 1.00 15.41 C ATOM 1781 C GLY A 118 -2.726 9.549 4.384 1.00 14.71 C ATOM 1782 O GLY A 118 -3.167 9.979 3.319 1.00 14.71 O ATOM 0 H GLY A 118 -2.462 7.589 6.670 1.00 15.62 H new ATOM 0 HA2 GLY A 118 -3.697 7.684 4.761 1.00 15.41 H new ATOM 0 HA3 GLY A 118 -4.572 9.083 5.352 1.00 15.41 H new ATOM 1786 N GLY A 119 -1.506 9.822 4.820 1.00 14.19 N ATOM 1787 CA GLY A 119 -0.649 10.721 4.087 1.00 13.68 C ATOM 1788 C GLY A 119 0.793 10.269 4.095 1.00 12.53 C ATOM 1789 O GLY A 119 1.168 9.369 4.849 1.00 12.20 O ATOM 0 H GLY A 119 -1.096 9.435 5.670 1.00 14.19 H new ATOM 0 HA2 GLY A 119 -0.999 10.795 3.057 1.00 13.68 H new ATOM 0 HA3 GLY A 119 -0.717 11.719 4.520 1.00 13.68 H new ATOM 1793 N PHE A 120 1.594 10.892 3.252 1.00 12.03 N ATOM 1794 CA PHE A 120 3.001 10.555 3.130 1.00 10.94 C ATOM 1795 C PHE A 120 3.845 11.687 3.691 1.00 11.32 C ATOM 1796 O PHE A 120 3.919 12.773 3.110 1.00 11.97 O ATOM 1797 CB PHE A 120 3.344 10.312 1.663 1.00 10.11 C ATOM 1798 CG PHE A 120 2.505 9.244 1.025 1.00 9.82 C ATOM 1799 CD1 PHE A 120 2.758 7.905 1.270 1.00 9.56 C ATOM 1800 CD2 PHE A 120 1.466 9.582 0.179 1.00 9.99 C ATOM 1801 CE1 PHE A 120 1.987 6.924 0.680 1.00 9.49 C ATOM 1802 CE2 PHE A 120 0.693 8.607 -0.414 1.00 9.89 C ATOM 1803 CZ PHE A 120 0.952 7.262 -0.142 1.00 9.66 C ATOM 0 H PHE A 120 1.290 11.644 2.634 1.00 12.03 H new ATOM 0 HA PHE A 120 3.211 9.646 3.694 1.00 10.94 H new ATOM 0 HB2 PHE A 120 3.218 11.242 1.109 1.00 10.11 H new ATOM 0 HB3 PHE A 120 4.395 10.034 1.584 1.00 10.11 H new ATOM 0 HD1 PHE A 120 3.567 7.625 1.929 1.00 9.56 H new ATOM 0 HD2 PHE A 120 1.257 10.623 -0.020 1.00 9.99 H new ATOM 0 HE1 PHE A 120 2.204 5.883 0.870 1.00 9.49 H new ATOM 0 HE2 PHE A 120 -0.108 8.881 -1.085 1.00 9.89 H new ATOM 0 HZ PHE A 120 0.335 6.492 -0.581 1.00 9.66 H new ATOM 1813 N ASP A 121 4.474 11.428 4.827 1.00 11.05 N ATOM 1814 CA ASP A 121 5.146 12.475 5.582 1.00 11.56 C ATOM 1815 C ASP A 121 6.610 12.570 5.186 1.00 10.58 C ATOM 1816 O ASP A 121 7.260 11.545 5.003 1.00 9.55 O ATOM 1817 CB ASP A 121 5.028 12.214 7.078 1.00 12.35 C ATOM 1818 CG ASP A 121 5.311 13.436 7.920 1.00 13.39 C ATOM 1819 OD1 ASP A 121 4.398 14.267 8.089 1.00 13.91 O1- ATOM 1820 OD2 ASP A 121 6.440 13.559 8.431 1.00 13.79 O ATOM 0 H ASP A 121 4.533 10.500 5.247 1.00 11.05 H new ATOM 0 HA ASP A 121 4.661 13.423 5.350 1.00 11.56 H new ATOM 0 HB2 ASP A 121 4.023 11.853 7.299 1.00 12.35 H new ATOM 0 HB3 ASP A 121 5.721 11.420 7.357 1.00 12.35 H new ATOM 1825 N PRO A 122 7.165 13.775 5.083 1.00 10.99 N ATOM 1826 CA PRO A 122 8.535 13.959 4.653 1.00 10.31 C ATOM 1827 C PRO A 122 9.537 13.809 5.796 1.00 10.40 C ATOM 1828 O PRO A 122 9.400 14.411 6.862 1.00 11.44 O ATOM 1829 CB PRO A 122 8.542 15.377 4.084 1.00 11.13 C ATOM 1830 CG PRO A 122 7.313 16.059 4.607 1.00 12.35 C ATOM 1831 CD PRO A 122 6.523 15.049 5.401 1.00 12.29 C ATOM 0 HA PRO A 122 8.842 13.204 3.930 1.00 10.31 H new ATOM 0 HB2 PRO A 122 9.441 15.912 4.390 1.00 11.13 H new ATOM 0 HB3 PRO A 122 8.539 15.356 2.994 1.00 11.13 H new ATOM 0 HG2 PRO A 122 7.586 16.908 5.234 1.00 12.35 H new ATOM 0 HG3 PRO A 122 6.714 16.450 3.784 1.00 12.35 H new ATOM 0 HD2 PRO A 122 6.562 15.261 6.469 1.00 12.29 H new ATOM 0 HD3 PRO A 122 5.471 15.049 5.115 1.00 12.29 H new ATOM 1839 N VAL A 123 10.523 12.962 5.569 1.00 9.36 N ATOM 1840 CA VAL A 123 11.596 12.737 6.519 1.00 9.43 C ATOM 1841 C VAL A 123 12.911 13.198 5.912 1.00 9.05 C ATOM 1842 O VAL A 123 13.223 12.837 4.780 1.00 8.18 O ATOM 1843 CB VAL A 123 11.746 11.240 6.874 1.00 8.79 C ATOM 1844 CG1 VAL A 123 12.369 11.073 8.252 1.00 7.90 C ATOM 1845 CG2 VAL A 123 10.416 10.506 6.779 1.00 9.39 C ATOM 0 H VAL A 123 10.603 12.408 4.716 1.00 9.36 H new ATOM 0 HA VAL A 123 11.352 13.296 7.423 1.00 9.43 H new ATOM 0 HB VAL A 123 12.416 10.791 6.141 1.00 8.79 H new ATOM 0 HG11 VAL A 123 12.465 10.012 8.482 1.00 7.90 H new ATOM 0 HG12 VAL A 123 13.355 11.538 8.264 1.00 7.90 H new ATOM 0 HG13 VAL A 123 11.734 11.550 8.999 1.00 7.90 H new ATOM 0 HG21 VAL A 123 10.561 9.456 7.035 1.00 9.39 H new ATOM 0 HG22 VAL A 123 9.703 10.954 7.471 1.00 9.39 H new ATOM 0 HG23 VAL A 123 10.031 10.581 5.762 1.00 9.39 H new ATOM 1855 N GLU A 124 13.658 14.014 6.633 1.00 9.85 N ATOM 1856 CA GLU A 124 15.007 14.349 6.212 1.00 9.72 C ATOM 1857 C GLU A 124 15.919 13.149 6.436 1.00 8.90 C ATOM 1858 O GLU A 124 16.061 12.662 7.558 1.00 9.21 O ATOM 1859 CB GLU A 124 15.540 15.565 6.972 1.00 10.96 C ATOM 1860 CG GLU A 124 16.936 15.974 6.533 1.00 11.07 C ATOM 1861 CD GLU A 124 17.487 17.140 7.322 1.00 12.34 C ATOM 1862 OE1 GLU A 124 18.003 16.916 8.436 1.00 12.93 O1- ATOM 1863 OE2 GLU A 124 17.385 18.290 6.845 1.00 12.83 O ATOM 0 H GLU A 124 13.358 14.453 7.504 1.00 9.85 H new ATOM 0 HA GLU A 124 14.986 14.603 5.152 1.00 9.72 H new ATOM 0 HB2 GLU A 124 14.859 16.404 6.828 1.00 10.96 H new ATOM 0 HB3 GLU A 124 15.551 15.343 8.039 1.00 10.96 H new ATOM 0 HG2 GLU A 124 17.608 15.122 6.638 1.00 11.07 H new ATOM 0 HG3 GLU A 124 16.916 16.236 5.475 1.00 11.07 H new ATOM 1870 N VAL A 125 16.528 12.674 5.365 1.00 8.03 N ATOM 1871 CA VAL A 125 17.328 11.464 5.411 1.00 7.30 C ATOM 1872 C VAL A 125 18.676 11.666 4.721 1.00 7.38 C ATOM 1873 O VAL A 125 18.856 12.584 3.921 1.00 7.84 O ATOM 1874 CB VAL A 125 16.551 10.265 4.781 1.00 6.19 C ATOM 1875 CG1 VAL A 125 15.336 10.737 4.018 1.00 6.15 C ATOM 1876 CG2 VAL A 125 17.409 9.431 3.869 1.00 5.62 C ATOM 0 H VAL A 125 16.483 13.112 4.445 1.00 8.03 H new ATOM 0 HA VAL A 125 17.524 11.230 6.457 1.00 7.30 H new ATOM 0 HB VAL A 125 16.239 9.642 5.619 1.00 6.19 H new ATOM 0 HG11 VAL A 125 14.818 9.878 3.592 1.00 6.15 H new ATOM 0 HG12 VAL A 125 14.665 11.267 4.694 1.00 6.15 H new ATOM 0 HG13 VAL A 125 15.647 11.407 3.217 1.00 6.15 H new ATOM 0 HG21 VAL A 125 16.817 8.613 3.460 1.00 5.62 H new ATOM 0 HG22 VAL A 125 17.783 10.051 3.054 1.00 5.62 H new ATOM 0 HG23 VAL A 125 18.250 9.025 4.431 1.00 5.62 H new ATOM 1886 N LYS A 126 19.618 10.811 5.067 1.00 7.21 N ATOM 1887 CA LYS A 126 20.917 10.796 4.439 1.00 7.44 C ATOM 1888 C LYS A 126 21.003 9.628 3.471 1.00 6.77 C ATOM 1889 O LYS A 126 20.706 8.493 3.837 1.00 6.29 O ATOM 1890 CB LYS A 126 22.018 10.693 5.482 1.00 8.03 C ATOM 1891 CG LYS A 126 23.404 10.605 4.877 1.00 8.46 C ATOM 1892 CD LYS A 126 24.465 10.398 5.934 1.00 9.06 C ATOM 1893 CE LYS A 126 24.475 11.517 6.964 1.00 9.72 C ATOM 1894 NZ LYS A 126 24.792 12.836 6.358 1.00 10.39 N1+ ATOM 0 H LYS A 126 19.500 10.106 5.795 1.00 7.21 H new ATOM 0 HA LYS A 126 21.052 11.729 3.892 1.00 7.44 H new ATOM 0 HB2 LYS A 126 21.970 11.561 6.139 1.00 8.03 H new ATOM 0 HB3 LYS A 126 21.842 9.814 6.102 1.00 8.03 H new ATOM 0 HG2 LYS A 126 23.437 9.783 4.162 1.00 8.46 H new ATOM 0 HG3 LYS A 126 23.617 11.518 4.322 1.00 8.46 H new ATOM 0 HD2 LYS A 126 24.294 9.446 6.436 1.00 9.06 H new ATOM 0 HD3 LYS A 126 25.443 10.336 5.457 1.00 9.06 H new ATOM 0 HE2 LYS A 126 23.502 11.568 7.452 1.00 9.72 H new ATOM 0 HE3 LYS A 126 25.208 11.289 7.738 1.00 9.72 H new ATOM 0 HZ1 LYS A 126 24.888 13.549 7.109 1.00 10.39 H new ATOM 0 HZ2 LYS A 126 25.684 12.769 5.828 1.00 10.39 H new ATOM 0 HZ3 LYS A 126 24.026 13.114 5.712 1.00 10.39 H new ATOM 1908 N ALA A 127 21.416 9.899 2.254 1.00 7.04 N ATOM 1909 CA ALA A 127 21.461 8.877 1.225 1.00 6.78 C ATOM 1910 C ALA A 127 22.689 9.033 0.346 1.00 7.69 C ATOM 1911 O ALA A 127 22.828 10.040 -0.343 1.00 8.30 O ATOM 1912 CB ALA A 127 20.206 8.946 0.370 1.00 6.34 C ATOM 0 H ALA A 127 21.727 10.821 1.949 1.00 7.04 H new ATOM 0 HA ALA A 127 21.515 7.906 1.717 1.00 6.78 H new ATOM 0 HB1 ALA A 127 20.248 8.176 -0.400 1.00 6.34 H new ATOM 0 HB2 ALA A 127 19.329 8.785 0.997 1.00 6.34 H new ATOM 0 HB3 ALA A 127 20.140 9.927 -0.101 1.00 6.34 H new ATOM 1918 N GLY A 128 23.602 8.076 0.373 1.00 8.00 N ATOM 1919 CA GLY A 128 24.633 8.098 -0.641 1.00 8.94 C ATOM 1920 C GLY A 128 25.216 6.743 -0.962 1.00 9.46 C ATOM 1921 O GLY A 128 26.357 6.444 -0.604 1.00 10.10 O ATOM 0 H GLY A 128 23.650 7.314 1.049 1.00 8.00 H new ATOM 0 HA2 GLY A 128 24.220 8.529 -1.553 1.00 8.94 H new ATOM 0 HA3 GLY A 128 25.436 8.758 -0.312 1.00 8.94 H new ATOM 1925 N ALA A 129 24.427 5.911 -1.614 1.00 9.37 N ATOM 1926 CA ALA A 129 24.919 4.844 -2.457 1.00 10.27 C ATOM 1927 C ALA A 129 23.903 4.599 -3.555 1.00 10.12 C ATOM 1928 O ALA A 129 22.771 5.065 -3.451 1.00 9.18 O ATOM 1929 CB ALA A 129 25.209 3.588 -1.675 1.00 10.61 C ATOM 0 H ALA A 129 23.409 5.960 -1.571 1.00 9.37 H new ATOM 0 HA ALA A 129 25.871 5.143 -2.896 1.00 10.27 H new ATOM 0 HB1 ALA A 129 25.576 2.815 -2.351 1.00 10.61 H new ATOM 0 HB2 ALA A 129 25.965 3.797 -0.918 1.00 10.61 H new ATOM 0 HB3 ALA A 129 24.296 3.242 -1.190 1.00 10.61 H new ATOM 1935 N THR A 130 24.273 3.899 -4.599 1.00 11.12 N ATOM 1936 CA THR A 130 23.293 3.461 -5.578 1.00 11.19 C ATOM 1937 C THR A 130 23.656 2.081 -6.098 1.00 12.15 C ATOM 1938 O THR A 130 24.780 1.851 -6.544 1.00 13.17 O ATOM 1939 CB THR A 130 23.174 4.452 -6.744 1.00 11.72 C ATOM 1940 OG1 THR A 130 23.033 5.786 -6.232 1.00 11.18 O ATOM 1941 CG2 THR A 130 21.983 4.122 -7.628 1.00 11.68 C ATOM 0 H THR A 130 25.234 3.620 -4.797 1.00 11.12 H new ATOM 0 HA THR A 130 22.324 3.416 -5.082 1.00 11.19 H new ATOM 0 HB THR A 130 24.080 4.377 -7.346 1.00 11.72 H new ATOM 0 HG1 THR A 130 22.959 6.417 -6.978 1.00 11.18 H new ATOM 0 HG21 THR A 130 21.926 4.842 -8.445 1.00 11.68 H new ATOM 0 HG22 THR A 130 22.100 3.118 -8.036 1.00 11.68 H new ATOM 0 HG23 THR A 130 21.068 4.169 -7.038 1.00 11.68 H new ATOM 1949 N ALA A 131 22.707 1.167 -6.023 1.00 11.92 N ATOM 1950 CA ALA A 131 22.955 -0.218 -6.376 1.00 12.91 C ATOM 1951 C ALA A 131 21.691 -0.894 -6.887 1.00 12.98 C ATOM 1952 O ALA A 131 20.693 -0.979 -6.172 1.00 12.19 O ATOM 1953 CB ALA A 131 23.502 -0.972 -5.174 1.00 12.87 C ATOM 0 H ALA A 131 21.753 1.360 -5.719 1.00 11.92 H new ATOM 0 HA ALA A 131 23.693 -0.235 -7.178 1.00 12.91 H new ATOM 0 HB1 ALA A 131 23.685 -2.011 -5.449 1.00 12.87 H new ATOM 0 HB2 ALA A 131 24.436 -0.512 -4.850 1.00 12.87 H new ATOM 0 HB3 ALA A 131 22.778 -0.934 -4.360 1.00 12.87 H new ATOM 1959 N GLY A 132 21.737 -1.354 -8.131 1.00 14.01 N ATOM 1960 CA GLY A 132 20.625 -2.094 -8.702 1.00 14.34 C ATOM 1961 C GLY A 132 19.379 -1.252 -8.850 1.00 13.47 C ATOM 1962 O GLY A 132 18.265 -1.741 -8.661 1.00 13.23 O ATOM 0 H GLY A 132 22.530 -1.227 -8.760 1.00 14.01 H new ATOM 0 HA2 GLY A 132 20.915 -2.481 -9.679 1.00 14.34 H new ATOM 0 HA3 GLY A 132 20.404 -2.955 -8.071 1.00 14.34 H new ATOM 1966 N GLY A 133 19.564 0.017 -9.183 1.00 13.12 N ATOM 1967 CA GLY A 133 18.437 0.916 -9.311 1.00 12.40 C ATOM 1968 C GLY A 133 17.865 1.286 -7.964 1.00 10.98 C ATOM 1969 O GLY A 133 16.709 1.701 -7.856 1.00 10.30 O ATOM 0 H GLY A 133 20.474 0.440 -9.367 1.00 13.12 H new ATOM 0 HA2 GLY A 133 18.749 1.819 -9.835 1.00 12.40 H new ATOM 0 HA3 GLY A 133 17.664 0.446 -9.919 1.00 12.40 H new ATOM 1973 N GLN A 134 18.673 1.127 -6.929 1.00 10.62 N ATOM 1974 CA GLN A 134 18.256 1.458 -5.582 1.00 9.33 C ATOM 1975 C GLN A 134 19.292 2.367 -4.943 1.00 8.96 C ATOM 1976 O GLN A 134 20.376 2.546 -5.490 1.00 9.81 O ATOM 1977 CB GLN A 134 18.068 0.200 -4.727 1.00 9.38 C ATOM 1978 CG GLN A 134 17.157 -0.845 -5.352 1.00 9.89 C ATOM 1979 CD GLN A 134 16.941 -2.039 -4.448 1.00 10.08 C ATOM 1980 OE1 GLN A 134 15.989 -2.079 -3.664 1.00 10.39 O ATOM 1981 NE2 GLN A 134 17.830 -3.017 -4.537 1.00 10.17 N ATOM 0 H GLN A 134 19.625 0.769 -7.000 1.00 10.62 H new ATOM 0 HA GLN A 134 17.295 1.970 -5.637 1.00 9.33 H new ATOM 0 HB2 GLN A 134 19.044 -0.249 -4.541 1.00 9.38 H new ATOM 0 HB3 GLN A 134 17.660 0.490 -3.759 1.00 9.38 H new ATOM 0 HG2 GLN A 134 16.194 -0.391 -5.585 1.00 9.89 H new ATOM 0 HG3 GLN A 134 17.588 -1.181 -6.295 1.00 9.89 H new ATOM 0 HE21 GLN A 134 18.603 -2.945 -5.199 1.00 10.17 H new ATOM 0 HE22 GLN A 134 17.742 -3.842 -3.944 1.00 10.17 H new ATOM 1990 N SER A 135 18.980 2.918 -3.792 1.00 7.82 N ATOM 1991 CA SER A 135 19.909 3.769 -3.093 1.00 7.56 C ATOM 1992 C SER A 135 20.116 3.247 -1.683 1.00 7.12 C ATOM 1993 O SER A 135 19.271 2.519 -1.153 1.00 6.78 O ATOM 1994 CB SER A 135 19.428 5.228 -3.078 1.00 6.91 C ATOM 1995 OG SER A 135 20.365 6.087 -2.445 1.00 6.85 O ATOM 0 H SER A 135 18.085 2.790 -3.320 1.00 7.82 H new ATOM 0 HA SER A 135 20.863 3.751 -3.620 1.00 7.56 H new ATOM 0 HB2 SER A 135 19.259 5.565 -4.101 1.00 6.91 H new ATOM 0 HB3 SER A 135 18.471 5.290 -2.560 1.00 6.91 H new ATOM 0 HG SER A 135 21.272 5.845 -2.726 1.00 6.85 H new ATOM 2001 N GLU A 136 21.233 3.594 -1.091 1.00 7.39 N ATOM 2002 CA GLU A 136 21.486 3.232 0.295 1.00 7.25 C ATOM 2003 C GLU A 136 21.228 4.419 1.214 1.00 6.42 C ATOM 2004 O GLU A 136 21.908 5.445 1.152 1.00 6.54 O ATOM 2005 CB GLU A 136 22.916 2.730 0.469 1.00 8.31 C ATOM 2006 CG GLU A 136 23.156 1.386 -0.207 1.00 9.31 C ATOM 2007 CD GLU A 136 24.509 0.774 0.126 1.00 10.29 C ATOM 2008 OE1 GLU A 136 24.797 0.575 1.329 1.00 10.69 O ATOM 2009 OE2 GLU A 136 25.287 0.483 -0.807 1.00 10.79 O1- ATOM 0 H GLU A 136 21.981 4.123 -1.538 1.00 7.39 H new ATOM 0 HA GLU A 136 20.802 2.427 0.566 1.00 7.25 H new ATOM 0 HB2 GLU A 136 23.607 3.466 0.059 1.00 8.31 H new ATOM 0 HB3 GLU A 136 23.138 2.642 1.532 1.00 8.31 H new ATOM 0 HG2 GLU A 136 22.369 0.693 0.090 1.00 9.31 H new ATOM 0 HG3 GLU A 136 23.079 1.512 -1.287 1.00 9.31 H new ATOM 2016 N ILE A 137 20.197 4.274 2.029 1.00 5.86 N ATOM 2017 CA ILE A 137 19.857 5.266 3.029 1.00 5.49 C ATOM 2018 C ILE A 137 20.759 5.102 4.237 1.00 6.25 C ATOM 2019 O ILE A 137 20.621 4.153 5.012 1.00 6.73 O ATOM 2020 CB ILE A 137 18.378 5.146 3.465 1.00 4.93 C ATOM 2021 CG1 ILE A 137 17.447 5.529 2.319 1.00 4.16 C ATOM 2022 CG2 ILE A 137 18.097 6.001 4.693 1.00 5.24 C ATOM 2023 CD1 ILE A 137 17.739 6.890 1.744 1.00 4.21 C ATOM 0 H ILE A 137 19.574 3.466 2.015 1.00 5.86 H new ATOM 0 HA ILE A 137 20.001 6.253 2.589 1.00 5.49 H new ATOM 0 HB ILE A 137 18.189 4.106 3.730 1.00 4.93 H new ATOM 0 HG12 ILE A 137 17.529 4.783 1.529 1.00 4.16 H new ATOM 0 HG13 ILE A 137 16.417 5.505 2.674 1.00 4.16 H new ATOM 0 HG21 ILE A 137 17.050 5.897 4.977 1.00 5.24 H new ATOM 0 HG22 ILE A 137 18.731 5.673 5.517 1.00 5.24 H new ATOM 0 HG23 ILE A 137 18.309 7.046 4.465 1.00 5.24 H new ATOM 0 HD11 ILE A 137 17.041 7.100 0.934 1.00 4.21 H new ATOM 0 HD12 ILE A 137 17.629 7.645 2.522 1.00 4.21 H new ATOM 0 HD13 ILE A 137 18.759 6.911 1.359 1.00 4.21 H new ATOM 2035 N LEU A 138 21.689 6.032 4.367 1.00 6.60 N ATOM 2036 CA LEU A 138 22.668 6.020 5.441 1.00 7.40 C ATOM 2037 C LEU A 138 21.988 6.341 6.765 1.00 7.59 C ATOM 2038 O LEU A 138 22.145 5.624 7.752 1.00 8.21 O ATOM 2039 CB LEU A 138 23.776 7.041 5.143 1.00 7.87 C ATOM 2040 CG LEU A 138 24.892 6.595 4.174 1.00 8.31 C ATOM 2041 CD1 LEU A 138 24.354 5.741 3.037 1.00 7.93 C ATOM 2042 CD2 LEU A 138 25.601 7.809 3.595 1.00 8.79 C ATOM 0 H LEU A 138 21.787 6.821 3.728 1.00 6.60 H new ATOM 0 HA LEU A 138 23.115 5.029 5.512 1.00 7.40 H new ATOM 0 HB2 LEU A 138 23.310 7.938 4.735 1.00 7.87 H new ATOM 0 HB3 LEU A 138 24.240 7.324 6.088 1.00 7.87 H new ATOM 0 HG LEU A 138 25.593 5.991 4.750 1.00 8.31 H new ATOM 0 HD11 LEU A 138 25.174 5.450 2.381 1.00 7.93 H new ATOM 0 HD12 LEU A 138 23.882 4.847 3.445 1.00 7.93 H new ATOM 0 HD13 LEU A 138 23.620 6.312 2.469 1.00 7.93 H new ATOM 0 HD21 LEU A 138 26.386 7.481 2.913 1.00 8.79 H new ATOM 0 HD22 LEU A 138 24.884 8.425 3.053 1.00 8.79 H new ATOM 0 HD23 LEU A 138 26.043 8.392 4.403 1.00 8.79 H new ATOM 2054 N GLU A 139 21.213 7.410 6.769 1.00 7.31 N ATOM 2055 CA GLU A 139 20.492 7.834 7.951 1.00 7.84 C ATOM 2056 C GLU A 139 19.134 8.346 7.555 1.00 7.45 C ATOM 2057 O GLU A 139 18.889 8.608 6.387 1.00 6.77 O ATOM 2058 CB GLU A 139 21.253 8.926 8.698 1.00 8.66 C ATOM 2059 CG GLU A 139 22.446 8.403 9.460 1.00 9.21 C ATOM 2060 CD GLU A 139 23.105 9.462 10.315 1.00 9.98 C ATOM 2061 OE1 GLU A 139 23.945 10.223 9.786 1.00 10.28 O1- ATOM 2062 OE2 GLU A 139 22.788 9.543 11.515 1.00 10.44 O ATOM 0 H GLU A 139 21.067 8.006 5.954 1.00 7.31 H new ATOM 0 HA GLU A 139 20.386 6.976 8.615 1.00 7.84 H new ATOM 0 HB2 GLU A 139 21.587 9.680 7.985 1.00 8.66 H new ATOM 0 HB3 GLU A 139 20.575 9.422 9.393 1.00 8.66 H new ATOM 0 HG2 GLU A 139 22.131 7.574 10.094 1.00 9.21 H new ATOM 0 HG3 GLU A 139 23.176 8.006 8.755 1.00 9.21 H new ATOM 2069 N GLY A 140 18.254 8.494 8.521 1.00 8.06 N ATOM 2070 CA GLY A 140 16.965 9.077 8.231 1.00 8.05 C ATOM 2071 C GLY A 140 15.807 8.135 8.471 1.00 8.05 C ATOM 2072 O GLY A 140 14.999 8.350 9.376 1.00 8.87 O ATOM 0 H GLY A 140 18.403 8.225 9.494 1.00 8.06 H new ATOM 0 HA2 GLY A 140 16.832 9.967 8.846 1.00 8.05 H new ATOM 0 HA3 GLY A 140 16.948 9.402 7.191 1.00 8.05 H new ATOM 2076 N LEU A 141 15.725 7.091 7.658 1.00 7.34 N ATOM 2077 CA LEU A 141 14.586 6.187 7.698 1.00 7.46 C ATOM 2078 C LEU A 141 14.877 4.933 8.508 1.00 8.16 C ATOM 2079 O LEU A 141 15.943 4.797 9.107 1.00 8.50 O ATOM 2080 CB LEU A 141 14.138 5.810 6.284 1.00 6.40 C ATOM 2081 CG LEU A 141 13.406 6.909 5.527 1.00 6.03 C ATOM 2082 CD1 LEU A 141 13.269 6.534 4.061 1.00 5.58 C ATOM 2083 CD2 LEU A 141 12.036 7.151 6.149 1.00 6.58 C ATOM 0 H LEU A 141 16.433 6.850 6.964 1.00 7.34 H new ATOM 0 HA LEU A 141 13.776 6.721 8.196 1.00 7.46 H new ATOM 0 HB2 LEU A 141 15.015 5.515 5.708 1.00 6.40 H new ATOM 0 HB3 LEU A 141 13.488 4.937 6.346 1.00 6.40 H new ATOM 0 HG LEU A 141 13.984 7.831 5.595 1.00 6.03 H new ATOM 0 HD11 LEU A 141 12.744 7.328 3.530 1.00 5.58 H new ATOM 0 HD12 LEU A 141 14.259 6.400 3.626 1.00 5.58 H new ATOM 0 HD13 LEU A 141 12.706 5.605 3.974 1.00 5.58 H new ATOM 0 HD21 LEU A 141 11.521 7.939 5.600 1.00 6.58 H new ATOM 0 HD22 LEU A 141 11.449 6.234 6.104 1.00 6.58 H new ATOM 0 HD23 LEU A 141 12.157 7.453 7.189 1.00 6.58 H new ATOM 2095 N LYS A 142 13.922 4.015 8.503 1.00 8.54 N ATOM 2096 CA LYS A 142 14.010 2.797 9.288 1.00 9.51 C ATOM 2097 C LYS A 142 13.271 1.676 8.580 1.00 9.48 C ATOM 2098 O LYS A 142 12.364 1.919 7.788 1.00 8.97 O ATOM 2099 CB LYS A 142 13.372 3.040 10.652 1.00 10.71 C ATOM 2100 CG LYS A 142 13.471 1.859 11.601 1.00 11.83 C ATOM 2101 CD LYS A 142 12.690 2.095 12.884 1.00 12.89 C ATOM 2102 CE LYS A 142 11.192 2.159 12.626 1.00 13.50 C ATOM 2103 NZ LYS A 142 10.418 2.327 13.882 1.00 14.15 N1+ ATOM 0 H LYS A 142 13.066 4.095 7.955 1.00 8.54 H new ATOM 0 HA LYS A 142 15.056 2.516 9.410 1.00 9.51 H new ATOM 0 HB2 LYS A 142 13.847 3.905 11.115 1.00 10.71 H new ATOM 0 HB3 LYS A 142 12.321 3.291 10.510 1.00 10.71 H new ATOM 0 HG2 LYS A 142 13.095 0.964 11.107 1.00 11.83 H new ATOM 0 HG3 LYS A 142 14.518 1.674 11.842 1.00 11.83 H new ATOM 0 HD2 LYS A 142 12.904 1.295 13.593 1.00 12.89 H new ATOM 0 HD3 LYS A 142 13.020 3.026 13.345 1.00 12.89 H new ATOM 0 HE2 LYS A 142 10.975 2.988 11.953 1.00 13.50 H new ATOM 0 HE3 LYS A 142 10.872 1.247 12.122 1.00 13.50 H new ATOM 0 HZ1 LYS A 142 9.402 2.366 13.661 1.00 14.15 H new ATOM 0 HZ2 LYS A 142 10.604 1.523 14.515 1.00 14.15 H new ATOM 0 HZ3 LYS A 142 10.704 3.210 14.351 1.00 14.15 H new ATOM 2117 N ALA A 143 13.677 0.452 8.874 1.00 10.19 N ATOM 2118 CA ALA A 143 13.073 -0.728 8.278 1.00 10.49 C ATOM 2119 C ALA A 143 11.654 -0.897 8.781 1.00 11.20 C ATOM 2120 O ALA A 143 11.408 -0.834 9.985 1.00 12.12 O ATOM 2121 CB ALA A 143 13.890 -1.965 8.586 1.00 11.37 C ATOM 0 H ALA A 143 14.431 0.249 9.530 1.00 10.19 H new ATOM 0 HA ALA A 143 13.052 -0.595 7.196 1.00 10.49 H new ATOM 0 HB1 ALA A 143 13.418 -2.835 8.130 1.00 11.37 H new ATOM 0 HB2 ALA A 143 14.896 -1.845 8.185 1.00 11.37 H new ATOM 0 HB3 ALA A 143 13.944 -2.106 9.666 1.00 11.37 H new ATOM 2127 N GLY A 144 10.734 -1.115 7.859 1.00 10.88 N ATOM 2128 CA GLY A 144 9.328 -1.140 8.207 1.00 11.54 C ATOM 2129 C GLY A 144 8.640 0.131 7.767 1.00 10.82 C ATOM 2130 O GLY A 144 7.419 0.251 7.842 1.00 11.32 O ATOM 0 H GLY A 144 10.934 -1.276 6.872 1.00 10.88 H new ATOM 0 HA2 GLY A 144 8.848 -1.999 7.737 1.00 11.54 H new ATOM 0 HA3 GLY A 144 9.218 -1.263 9.284 1.00 11.54 H new ATOM 2134 N GLN A 145 9.436 1.082 7.306 1.00 9.74 N ATOM 2135 CA GLN A 145 8.916 2.338 6.794 1.00 9.10 C ATOM 2136 C GLN A 145 8.912 2.284 5.275 1.00 8.05 C ATOM 2137 O GLN A 145 9.948 2.102 4.655 1.00 7.35 O ATOM 2138 CB GLN A 145 9.793 3.503 7.265 1.00 8.76 C ATOM 2139 CG GLN A 145 9.950 3.600 8.779 1.00 9.88 C ATOM 2140 CD GLN A 145 8.808 4.314 9.484 1.00 10.75 C ATOM 2141 OE1 GLN A 145 9.016 4.944 10.519 1.00 11.13 O ATOM 2142 NE2 GLN A 145 7.601 4.224 8.950 1.00 11.24 N ATOM 0 H GLN A 145 10.453 1.006 7.276 1.00 9.74 H new ATOM 0 HA GLN A 145 7.903 2.491 7.165 1.00 9.10 H new ATOM 0 HB2 GLN A 145 10.781 3.404 6.815 1.00 8.76 H new ATOM 0 HB3 GLN A 145 9.367 4.436 6.895 1.00 8.76 H new ATOM 0 HG2 GLN A 145 10.041 2.594 9.188 1.00 9.88 H new ATOM 0 HG3 GLN A 145 10.881 4.120 9.003 1.00 9.88 H new ATOM 0 HE21 GLN A 145 7.462 3.693 8.090 1.00 11.24 H new ATOM 0 HE22 GLN A 145 6.809 4.685 9.398 1.00 11.24 H new ATOM 2151 N GLN A 146 7.745 2.404 4.680 1.00 8.12 N ATOM 2152 CA GLN A 146 7.635 2.340 3.234 1.00 7.34 C ATOM 2153 C GLN A 146 7.412 3.732 2.677 1.00 6.41 C ATOM 2154 O GLN A 146 6.582 4.501 3.168 1.00 6.79 O ATOM 2155 CB GLN A 146 6.506 1.404 2.815 1.00 8.14 C ATOM 2156 CG GLN A 146 5.177 1.857 3.320 1.00 9.01 C ATOM 2157 CD GLN A 146 4.045 0.890 3.016 1.00 9.89 C ATOM 2158 OE1 GLN A 146 2.899 1.297 2.826 1.00 10.17 O ATOM 2159 NE2 GLN A 146 4.353 -0.397 2.985 1.00 10.49 N ATOM 0 H GLN A 146 6.862 2.546 5.170 1.00 8.12 H new ATOM 0 HA GLN A 146 8.565 1.941 2.829 1.00 7.34 H new ATOM 0 HB2 GLN A 146 6.476 1.339 1.727 1.00 8.14 H new ATOM 0 HB3 GLN A 146 6.711 0.401 3.189 1.00 8.14 H new ATOM 0 HG2 GLN A 146 5.239 2.003 4.398 1.00 9.01 H new ATOM 0 HG3 GLN A 146 4.943 2.826 2.880 1.00 9.01 H new ATOM 0 HE21 GLN A 146 5.315 -0.695 3.147 1.00 10.49 H new ATOM 0 HE22 GLN A 146 3.629 -1.090 2.799 1.00 10.49 H new ATOM 2168 N VAL A 147 8.185 4.041 1.660 1.00 5.45 N ATOM 2169 CA VAL A 147 8.233 5.375 1.090 1.00 4.76 C ATOM 2170 C VAL A 147 7.742 5.345 -0.341 1.00 4.67 C ATOM 2171 O VAL A 147 7.837 4.315 -1.008 1.00 4.76 O ATOM 2172 CB VAL A 147 9.667 5.946 1.128 1.00 3.89 C ATOM 2173 CG1 VAL A 147 10.081 6.225 2.563 1.00 4.21 C ATOM 2174 CG2 VAL A 147 10.656 4.992 0.459 1.00 3.49 C ATOM 0 H VAL A 147 8.803 3.372 1.200 1.00 5.45 H new ATOM 0 HA VAL A 147 7.587 6.018 1.687 1.00 4.76 H new ATOM 0 HB VAL A 147 9.678 6.883 0.571 1.00 3.89 H new ATOM 0 HG11 VAL A 147 11.094 6.627 2.578 1.00 4.21 H new ATOM 0 HG12 VAL A 147 9.396 6.949 3.005 1.00 4.21 H new ATOM 0 HG13 VAL A 147 10.050 5.299 3.137 1.00 4.21 H new ATOM 0 HG21 VAL A 147 11.658 5.419 0.500 1.00 3.49 H new ATOM 0 HG22 VAL A 147 10.648 4.035 0.981 1.00 3.49 H new ATOM 0 HG23 VAL A 147 10.368 4.841 -0.581 1.00 3.49 H new ATOM 2184 N VAL A 148 7.210 6.472 -0.801 1.00 4.95 N ATOM 2185 CA VAL A 148 6.656 6.565 -2.145 1.00 5.28 C ATOM 2186 C VAL A 148 7.694 6.208 -3.200 1.00 4.93 C ATOM 2187 O VAL A 148 8.838 6.650 -3.148 1.00 4.74 O ATOM 2188 CB VAL A 148 6.081 7.964 -2.443 1.00 6.08 C ATOM 2189 CG1 VAL A 148 4.872 8.245 -1.568 1.00 6.56 C ATOM 2190 CG2 VAL A 148 7.142 9.038 -2.256 1.00 6.56 C ATOM 0 H VAL A 148 7.151 7.335 -0.261 1.00 4.95 H new ATOM 0 HA VAL A 148 5.840 5.844 -2.188 1.00 5.28 H new ATOM 0 HB VAL A 148 5.761 7.983 -3.485 1.00 6.08 H new ATOM 0 HG11 VAL A 148 4.482 9.237 -1.794 1.00 6.56 H new ATOM 0 HG12 VAL A 148 4.101 7.499 -1.762 1.00 6.56 H new ATOM 0 HG13 VAL A 148 5.164 8.201 -0.519 1.00 6.56 H new ATOM 0 HG21 VAL A 148 6.712 10.016 -2.472 1.00 6.56 H new ATOM 0 HG22 VAL A 148 7.502 9.019 -1.227 1.00 6.56 H new ATOM 0 HG23 VAL A 148 7.974 8.850 -2.935 1.00 6.56 H new ATOM 2200 N VAL A 149 7.270 5.397 -4.150 1.00 5.25 N ATOM 2201 CA VAL A 149 8.167 4.842 -5.149 1.00 5.51 C ATOM 2202 C VAL A 149 7.616 5.052 -6.557 1.00 6.47 C ATOM 2203 O VAL A 149 8.361 5.325 -7.500 1.00 6.99 O ATOM 2204 CB VAL A 149 8.386 3.342 -4.849 1.00 5.65 C ATOM 2205 CG1 VAL A 149 9.055 2.607 -5.990 1.00 5.29 C ATOM 2206 CG2 VAL A 149 9.203 3.186 -3.584 1.00 6.22 C ATOM 0 H VAL A 149 6.298 5.104 -4.252 1.00 5.25 H new ATOM 0 HA VAL A 149 9.126 5.359 -5.102 1.00 5.51 H new ATOM 0 HB VAL A 149 7.401 2.894 -4.717 1.00 5.65 H new ATOM 0 HG11 VAL A 149 9.183 1.558 -5.722 1.00 5.29 H new ATOM 0 HG12 VAL A 149 8.435 2.680 -6.883 1.00 5.29 H new ATOM 0 HG13 VAL A 149 10.030 3.052 -6.188 1.00 5.29 H new ATOM 0 HG21 VAL A 149 9.354 2.127 -3.377 1.00 6.22 H new ATOM 0 HG22 VAL A 149 10.170 3.672 -3.713 1.00 6.22 H new ATOM 0 HG23 VAL A 149 8.674 3.647 -2.750 1.00 6.22 H new ATOM 2216 N SER A 150 6.307 4.935 -6.691 1.00 6.89 N ATOM 2217 CA SER A 150 5.643 5.213 -7.954 1.00 7.82 C ATOM 2218 C SER A 150 4.385 6.038 -7.708 1.00 8.09 C ATOM 2219 O SER A 150 3.287 5.672 -8.140 1.00 8.72 O ATOM 2220 CB SER A 150 5.299 3.907 -8.674 1.00 8.62 C ATOM 2221 OG SER A 150 6.449 3.092 -8.830 1.00 9.06 O ATOM 0 H SER A 150 5.680 4.649 -5.939 1.00 6.89 H new ATOM 0 HA SER A 150 6.318 5.785 -8.591 1.00 7.82 H new ATOM 0 HB2 SER A 150 4.540 3.366 -8.109 1.00 8.62 H new ATOM 0 HB3 SER A 150 4.871 4.129 -9.652 1.00 8.62 H new ATOM 0 HG SER A 150 6.202 2.263 -9.291 1.00 9.06 H new ATOM 2227 N GLY A 151 4.556 7.149 -7.004 1.00 7.84 N ATOM 2228 CA GLY A 151 3.435 8.000 -6.664 1.00 8.31 C ATOM 2229 C GLY A 151 3.729 9.459 -6.930 1.00 8.50 C ATOM 2230 O GLY A 151 4.726 9.786 -7.571 1.00 8.43 O ATOM 0 H GLY A 151 5.459 7.477 -6.661 1.00 7.84 H new ATOM 0 HA2 GLY A 151 2.561 7.696 -7.240 1.00 8.31 H new ATOM 0 HA3 GLY A 151 3.185 7.867 -5.611 1.00 8.31 H new ATOM 2234 N GLN A 152 2.861 10.337 -6.450 1.00 8.97 N ATOM 2235 CA GLN A 152 3.046 11.769 -6.627 1.00 9.41 C ATOM 2236 C GLN A 152 4.065 12.305 -5.632 1.00 9.73 C ATOM 2237 O GLN A 152 3.732 12.599 -4.488 1.00 9.97 O ATOM 2238 CB GLN A 152 1.719 12.509 -6.464 1.00 10.01 C ATOM 2239 CG GLN A 152 0.739 12.267 -7.599 1.00 10.63 C ATOM 2240 CD GLN A 152 -0.639 12.818 -7.304 1.00 11.38 C ATOM 2241 OE1 GLN A 152 -1.066 12.868 -6.153 1.00 11.71 O ATOM 2242 NE2 GLN A 152 -1.347 13.236 -8.342 1.00 11.84 N ATOM 0 H GLN A 152 2.019 10.082 -5.934 1.00 8.97 H new ATOM 0 HA GLN A 152 3.419 11.938 -7.637 1.00 9.41 H new ATOM 0 HB2 GLN A 152 1.256 12.204 -5.526 1.00 10.01 H new ATOM 0 HB3 GLN A 152 1.917 13.578 -6.389 1.00 10.01 H new ATOM 0 HG2 GLN A 152 1.123 12.726 -8.510 1.00 10.63 H new ATOM 0 HG3 GLN A 152 0.665 11.196 -7.789 1.00 10.63 H new ATOM 0 HE21 GLN A 152 -0.957 13.178 -9.282 1.00 11.84 H new ATOM 0 HE22 GLN A 152 -2.283 13.616 -8.201 1.00 11.84 H new ATOM 2251 N PHE A 153 5.310 12.408 -6.067 1.00 9.95 N ATOM 2252 CA PHE A 153 6.359 12.971 -5.232 1.00 10.47 C ATOM 2253 C PHE A 153 6.529 14.455 -5.525 1.00 10.93 C ATOM 2254 O PHE A 153 7.235 15.159 -4.799 1.00 11.34 O ATOM 2255 CB PHE A 153 7.685 12.223 -5.423 1.00 10.62 C ATOM 2256 CG PHE A 153 8.094 12.052 -6.860 1.00 11.04 C ATOM 2257 CD1 PHE A 153 8.803 13.048 -7.511 1.00 11.41 C ATOM 2258 CD2 PHE A 153 7.769 10.900 -7.561 1.00 11.27 C ATOM 2259 CE1 PHE A 153 9.180 12.900 -8.832 1.00 12.02 C ATOM 2260 CE2 PHE A 153 8.143 10.747 -8.882 1.00 11.87 C ATOM 2261 CZ PHE A 153 8.845 11.726 -9.517 1.00 12.24 C ATOM 0 H PHE A 153 5.619 12.110 -6.992 1.00 9.95 H new ATOM 0 HA PHE A 153 6.061 12.854 -4.190 1.00 10.47 H new ATOM 0 HB2 PHE A 153 8.472 12.761 -4.894 1.00 10.62 H new ATOM 0 HB3 PHE A 153 7.605 11.239 -4.960 1.00 10.62 H new ATOM 0 HD1 PHE A 153 9.064 13.951 -6.980 1.00 11.41 H new ATOM 0 HD2 PHE A 153 7.217 10.113 -7.068 1.00 11.27 H new ATOM 0 HE1 PHE A 153 9.729 13.684 -9.332 1.00 12.02 H new ATOM 0 HE2 PHE A 153 7.877 9.846 -9.414 1.00 11.87 H new ATOM 0 HZ PHE A 153 9.143 11.597 -10.547 1.00 12.24 H new ATOM 2271 N LEU A 154 5.893 14.930 -6.581 1.00 11.05 N ATOM 2272 CA LEU A 154 5.946 16.344 -6.909 1.00 11.63 C ATOM 2273 C LEU A 154 5.135 17.142 -5.888 1.00 11.39 C ATOM 2274 O LEU A 154 5.660 18.029 -5.209 1.00 11.57 O ATOM 2275 CB LEU A 154 5.408 16.583 -8.324 1.00 12.16 C ATOM 2276 CG LEU A 154 5.629 17.992 -8.878 1.00 12.68 C ATOM 2277 CD1 LEU A 154 7.116 18.270 -9.053 1.00 13.16 C ATOM 2278 CD2 LEU A 154 4.888 18.168 -10.195 1.00 13.04 C ATOM 0 H LEU A 154 5.338 14.363 -7.222 1.00 11.05 H new ATOM 0 HA LEU A 154 6.983 16.678 -6.876 1.00 11.63 H new ATOM 0 HB2 LEU A 154 5.877 15.867 -8.999 1.00 12.16 H new ATOM 0 HB3 LEU A 154 4.339 16.372 -8.329 1.00 12.16 H new ATOM 0 HG LEU A 154 5.230 18.712 -8.163 1.00 12.68 H new ATOM 0 HD11 LEU A 154 7.254 19.277 -9.448 1.00 13.16 H new ATOM 0 HD12 LEU A 154 7.618 18.186 -8.089 1.00 13.16 H new ATOM 0 HD13 LEU A 154 7.542 17.546 -9.748 1.00 13.16 H new ATOM 0 HD21 LEU A 154 5.056 19.176 -10.575 1.00 13.04 H new ATOM 0 HD22 LEU A 154 5.256 17.441 -10.919 1.00 13.04 H new ATOM 0 HD23 LEU A 154 3.821 18.014 -10.036 1.00 13.04 H new ATOM 2290 N ILE A 155 3.862 16.788 -5.765 1.00 11.17 N ATOM 2291 CA ILE A 155 2.965 17.441 -4.828 1.00 11.08 C ATOM 2292 C ILE A 155 2.449 16.437 -3.793 1.00 10.31 C ATOM 2293 O ILE A 155 1.707 15.507 -4.118 1.00 9.93 O ATOM 2294 CB ILE A 155 1.785 18.125 -5.570 1.00 11.39 C ATOM 2295 CG1 ILE A 155 0.750 18.664 -4.575 1.00 11.61 C ATOM 2296 CG2 ILE A 155 1.130 17.169 -6.565 1.00 11.66 C ATOM 2297 CD1 ILE A 155 -0.379 19.432 -5.227 1.00 11.95 C ATOM 0 H ILE A 155 3.427 16.044 -6.310 1.00 11.17 H new ATOM 0 HA ILE A 155 3.525 18.217 -4.306 1.00 11.08 H new ATOM 0 HB ILE A 155 2.190 18.968 -6.130 1.00 11.39 H new ATOM 0 HG12 ILE A 155 0.332 17.830 -4.012 1.00 11.61 H new ATOM 0 HG13 ILE A 155 1.252 19.313 -3.858 1.00 11.61 H new ATOM 0 HG21 ILE A 155 0.307 17.676 -7.069 1.00 11.66 H new ATOM 0 HG22 ILE A 155 1.867 16.851 -7.303 1.00 11.66 H new ATOM 0 HG23 ILE A 155 0.748 16.297 -6.034 1.00 11.66 H new ATOM 0 HD11 ILE A 155 -1.071 19.782 -4.461 1.00 11.95 H new ATOM 0 HD12 ILE A 155 0.027 20.287 -5.767 1.00 11.95 H new ATOM 0 HD13 ILE A 155 -0.908 18.781 -5.923 1.00 11.95 H new ATOM 2309 N ASP A 156 2.856 16.626 -2.543 1.00 10.31 N ATOM 2310 CA ASP A 156 2.493 15.699 -1.475 1.00 9.81 C ATOM 2311 C ASP A 156 1.049 15.912 -1.045 1.00 9.63 C ATOM 2312 O ASP A 156 0.423 15.002 -0.499 1.00 9.09 O ATOM 2313 CB ASP A 156 3.424 15.849 -0.261 1.00 10.26 C ATOM 2314 CG ASP A 156 3.090 17.050 0.607 1.00 10.68 C ATOM 2315 OD1 ASP A 156 3.473 18.183 0.239 1.00 10.64 O1- ATOM 2316 OD2 ASP A 156 2.435 16.872 1.653 1.00 11.22 O ATOM 0 H ASP A 156 3.436 17.410 -2.244 1.00 10.31 H new ATOM 0 HA ASP A 156 2.603 14.689 -1.870 1.00 9.81 H new ATOM 0 HB2 ASP A 156 3.368 14.945 0.345 1.00 10.26 H new ATOM 0 HB3 ASP A 156 4.453 15.936 -0.610 1.00 10.26 H new ATOM 2321 N SER A 157 0.522 17.105 -1.291 1.00 10.26 N ATOM 2322 CA SER A 157 -0.843 17.434 -0.904 1.00 10.38 C ATOM 2323 C SER A 157 -1.835 16.439 -1.504 1.00 9.63 C ATOM 2324 O SER A 157 -2.607 15.797 -0.789 1.00 9.37 O ATOM 2325 CB SER A 157 -1.175 18.856 -1.350 1.00 11.42 C ATOM 2326 OG SER A 157 -0.144 19.755 -0.972 1.00 11.90 O ATOM 0 H SER A 157 1.021 17.862 -1.758 1.00 10.26 H new ATOM 0 HA SER A 157 -0.923 17.372 0.181 1.00 10.38 H new ATOM 0 HB2 SER A 157 -1.308 18.881 -2.432 1.00 11.42 H new ATOM 0 HB3 SER A 157 -2.119 19.170 -0.906 1.00 11.42 H new ATOM 0 HG SER A 157 -0.375 20.660 -1.268 1.00 11.90 H new ATOM 2332 N GLU A 158 -1.770 16.299 -2.823 1.00 9.47 N ATOM 2333 CA GLU A 158 -2.638 15.383 -3.556 1.00 9.00 C ATOM 2334 C GLU A 158 -2.449 13.951 -3.072 1.00 8.03 C ATOM 2335 O GLU A 158 -3.406 13.199 -2.922 1.00 7.69 O ATOM 2336 CB GLU A 158 -2.345 15.466 -5.053 1.00 9.38 C ATOM 2337 CG GLU A 158 -2.784 16.770 -5.696 1.00 10.19 C ATOM 2338 CD GLU A 158 -4.283 16.969 -5.649 1.00 10.79 C ATOM 2339 OE1 GLU A 158 -4.997 16.334 -6.457 1.00 11.06 O ATOM 2340 OE2 GLU A 158 -4.756 17.773 -4.822 1.00 11.17 O1- ATOM 0 H GLU A 158 -1.117 16.815 -3.413 1.00 9.47 H new ATOM 0 HA GLU A 158 -3.672 15.676 -3.374 1.00 9.00 H new ATOM 0 HB2 GLU A 158 -1.274 15.337 -5.211 1.00 9.38 H new ATOM 0 HB3 GLU A 158 -2.844 14.638 -5.557 1.00 9.38 H new ATOM 0 HG2 GLU A 158 -2.295 17.602 -5.190 1.00 10.19 H new ATOM 0 HG3 GLU A 158 -2.452 16.788 -6.734 1.00 10.19 H new ATOM 2347 N ALA A 159 -1.192 13.602 -2.812 1.00 7.82 N ATOM 2348 CA ALA A 159 -0.818 12.255 -2.395 1.00 7.20 C ATOM 2349 C ALA A 159 -1.467 11.876 -1.066 1.00 7.12 C ATOM 2350 O ALA A 159 -1.720 10.700 -0.807 1.00 6.81 O ATOM 2351 CB ALA A 159 0.695 12.150 -2.294 1.00 7.44 C ATOM 0 H ALA A 159 -0.404 14.246 -2.885 1.00 7.82 H new ATOM 0 HA ALA A 159 -1.181 11.555 -3.147 1.00 7.20 H new ATOM 0 HB1 ALA A 159 0.970 11.142 -1.982 1.00 7.44 H new ATOM 0 HB2 ALA A 159 1.140 12.363 -3.266 1.00 7.44 H new ATOM 0 HB3 ALA A 159 1.062 12.869 -1.561 1.00 7.44 H new ATOM 2357 N SER A 160 -1.732 12.875 -0.233 1.00 7.72 N ATOM 2358 CA SER A 160 -2.380 12.653 1.055 1.00 8.04 C ATOM 2359 C SER A 160 -3.887 12.487 0.872 1.00 7.99 C ATOM 2360 O SER A 160 -4.554 11.805 1.645 1.00 8.08 O ATOM 2361 CB SER A 160 -2.099 13.834 1.985 1.00 8.99 C ATOM 2362 OG SER A 160 -0.704 14.059 2.113 1.00 9.64 O ATOM 0 H SER A 160 -1.507 13.851 -0.427 1.00 7.72 H new ATOM 0 HA SER A 160 -1.979 11.741 1.496 1.00 8.04 H new ATOM 0 HB2 SER A 160 -2.582 14.731 1.596 1.00 8.99 H new ATOM 0 HB3 SER A 160 -2.531 13.640 2.967 1.00 8.99 H new ATOM 0 HG SER A 160 -0.342 14.365 1.255 1.00 9.64 H new ATOM 2368 N LEU A 161 -4.409 13.123 -0.165 1.00 8.10 N ATOM 2369 CA LEU A 161 -5.835 13.126 -0.444 1.00 8.40 C ATOM 2370 C LEU A 161 -6.235 11.865 -1.201 1.00 7.89 C ATOM 2371 O LEU A 161 -7.373 11.404 -1.113 1.00 8.18 O ATOM 2372 CB LEU A 161 -6.178 14.360 -1.279 1.00 9.04 C ATOM 2373 CG LEU A 161 -5.760 15.697 -0.663 1.00 9.80 C ATOM 2374 CD1 LEU A 161 -6.154 16.845 -1.575 1.00 10.57 C ATOM 2375 CD2 LEU A 161 -6.382 15.870 0.713 1.00 10.37 C ATOM 0 H LEU A 161 -3.854 13.652 -0.838 1.00 8.10 H new ATOM 0 HA LEU A 161 -6.383 13.151 0.498 1.00 8.40 H new ATOM 0 HB2 LEU A 161 -5.702 14.263 -2.255 1.00 9.04 H new ATOM 0 HB3 LEU A 161 -7.255 14.377 -1.449 1.00 9.04 H new ATOM 0 HG LEU A 161 -4.676 15.701 -0.550 1.00 9.80 H new ATOM 0 HD11 LEU A 161 -5.850 17.789 -1.123 1.00 10.57 H new ATOM 0 HD12 LEU A 161 -5.661 16.729 -2.540 1.00 10.57 H new ATOM 0 HD13 LEU A 161 -7.235 16.842 -1.717 1.00 10.57 H new ATOM 0 HD21 LEU A 161 -6.073 16.827 1.134 1.00 10.37 H new ATOM 0 HD22 LEU A 161 -7.468 15.846 0.627 1.00 10.37 H new ATOM 0 HD23 LEU A 161 -6.051 15.062 1.366 1.00 10.37 H new ATOM 2387 N ARG A 162 -5.283 11.330 -1.957 1.00 7.38 N ATOM 2388 CA ARG A 162 -5.521 10.172 -2.801 1.00 7.17 C ATOM 2389 C ARG A 162 -5.716 8.906 -2.000 1.00 6.87 C ATOM 2390 O ARG A 162 -5.098 8.708 -0.951 1.00 6.95 O ATOM 2391 CB ARG A 162 -4.361 9.933 -3.756 1.00 7.15 C ATOM 2392 CG ARG A 162 -4.245 10.945 -4.871 1.00 7.34 C ATOM 2393 CD ARG A 162 -3.154 10.535 -5.836 1.00 7.40 C ATOM 2394 NE ARG A 162 -3.480 9.289 -6.530 1.00 7.84 N ATOM 2395 CZ ARG A 162 -3.410 9.121 -7.849 1.00 8.24 C ATOM 2396 NH1 ARG A 162 -3.056 10.125 -8.641 1.00 8.25 N1+ ATOM 2397 NH2 ARG A 162 -3.699 7.938 -8.380 1.00 8.90 N ATOM 0 H ARG A 162 -4.329 11.688 -2.000 1.00 7.38 H new ATOM 0 HA ARG A 162 -6.433 10.398 -3.354 1.00 7.17 H new ATOM 0 HB2 ARG A 162 -3.432 9.933 -3.186 1.00 7.15 H new ATOM 0 HB3 ARG A 162 -4.467 8.940 -4.194 1.00 7.15 H new ATOM 0 HG2 ARG A 162 -5.195 11.027 -5.398 1.00 7.34 H new ATOM 0 HG3 ARG A 162 -4.024 11.929 -4.458 1.00 7.34 H new ATOM 0 HD2 ARG A 162 -2.999 11.328 -6.567 1.00 7.40 H new ATOM 0 HD3 ARG A 162 -2.216 10.414 -5.294 1.00 7.40 H new ATOM 0 HE ARG A 162 -3.781 8.495 -5.965 1.00 7.84 H new ATOM 0 HH11 ARG A 162 -2.834 11.037 -8.241 1.00 8.25 H new ATOM 0 HH12 ARG A 162 -3.006 9.985 -9.650 1.00 8.25 H new ATOM 0 HH21 ARG A 162 -3.973 7.162 -7.778 1.00 8.90 H new ATOM 0 HH22 ARG A 162 -3.646 7.806 -9.390 1.00 8.90 H new ATOM 2411 N GLY A 163 -6.567 8.046 -2.524 1.00 6.89 N ATOM 2412 CA GLY A 163 -6.693 6.710 -2.003 1.00 7.01 C ATOM 2413 C GLY A 163 -7.660 5.873 -2.820 1.00 6.68 C ATOM 2414 O GLY A 163 -8.218 4.897 -2.320 1.00 7.15 O ATOM 0 H GLY A 163 -7.180 8.254 -3.312 1.00 6.89 H new ATOM 0 HA2 GLY A 163 -5.715 6.230 -1.995 1.00 7.01 H new ATOM 0 HA3 GLY A 163 -7.035 6.754 -0.969 1.00 7.01 H new ATOM 2418 N THR A 164 -7.839 6.264 -4.088 1.00 6.17 N ATOM 2419 CA THR A 164 -8.752 5.596 -5.028 1.00 6.16 C ATOM 2420 C THR A 164 -10.132 5.318 -4.425 1.00 6.65 C ATOM 2421 O THR A 164 -10.377 4.243 -3.876 1.00 7.09 O ATOM 2422 CB THR A 164 -8.146 4.295 -5.599 1.00 6.38 C ATOM 2423 OG1 THR A 164 -7.455 3.562 -4.577 1.00 6.86 O ATOM 2424 CG2 THR A 164 -7.193 4.608 -6.742 1.00 6.23 C ATOM 0 H THR A 164 -7.350 7.061 -4.496 1.00 6.17 H new ATOM 0 HA THR A 164 -8.890 6.300 -5.848 1.00 6.16 H new ATOM 0 HB THR A 164 -8.964 3.681 -5.976 1.00 6.38 H new ATOM 0 HG1 THR A 164 -8.005 3.533 -3.766 1.00 6.86 H new ATOM 0 HG21 THR A 164 -6.775 3.680 -7.132 1.00 6.23 H new ATOM 0 HG22 THR A 164 -7.733 5.124 -7.535 1.00 6.23 H new ATOM 0 HG23 THR A 164 -6.386 5.244 -6.379 1.00 6.23 H new ATOM 2432 N VAL A 165 -11.032 6.295 -4.554 1.00 6.89 N ATOM 2433 CA VAL A 165 -12.374 6.204 -3.978 1.00 7.69 C ATOM 2434 C VAL A 165 -12.271 6.039 -2.465 1.00 7.93 C ATOM 2435 O VAL A 165 -12.587 4.986 -1.908 1.00 8.39 O ATOM 2436 CB VAL A 165 -13.209 5.043 -4.578 1.00 8.39 C ATOM 2437 CG1 VAL A 165 -14.661 5.126 -4.120 1.00 9.20 C ATOM 2438 CG2 VAL A 165 -13.138 5.048 -6.098 1.00 8.56 C ATOM 0 H VAL A 165 -10.853 7.164 -5.056 1.00 6.89 H new ATOM 0 HA VAL A 165 -12.894 7.130 -4.224 1.00 7.69 H new ATOM 0 HB VAL A 165 -12.783 4.107 -4.216 1.00 8.39 H new ATOM 0 HG11 VAL A 165 -15.227 4.301 -4.554 1.00 9.20 H new ATOM 0 HG12 VAL A 165 -14.704 5.063 -3.033 1.00 9.20 H new ATOM 0 HG13 VAL A 165 -15.092 6.073 -4.446 1.00 9.20 H new ATOM 0 HG21 VAL A 165 -13.732 4.224 -6.493 1.00 8.56 H new ATOM 0 HG22 VAL A 165 -13.530 5.992 -6.477 1.00 8.56 H new ATOM 0 HG23 VAL A 165 -12.101 4.932 -6.414 1.00 8.56 H new ATOM 2448 N ALA A 166 -11.787 7.076 -1.810 1.00 7.88 N ATOM 2449 CA ALA A 166 -11.594 7.043 -0.374 1.00 8.33 C ATOM 2450 C ALA A 166 -12.548 8.000 0.323 1.00 8.94 C ATOM 2451 O ALA A 166 -12.250 9.181 0.494 1.00 9.11 O ATOM 2452 CB ALA A 166 -10.152 7.377 -0.027 1.00 8.31 C ATOM 0 H ALA A 166 -11.519 7.955 -2.252 1.00 7.88 H new ATOM 0 HA ALA A 166 -11.811 6.034 -0.022 1.00 8.33 H new ATOM 0 HB1 ALA A 166 -10.022 7.348 1.055 1.00 8.31 H new ATOM 0 HB2 ALA A 166 -9.488 6.648 -0.492 1.00 8.31 H new ATOM 0 HB3 ALA A 166 -9.911 8.374 -0.395 1.00 8.31 H new ATOM 2458 N ARG A 167 -13.704 7.488 0.723 1.00 9.50 N ATOM 2459 CA ARG A 167 -14.676 8.287 1.455 1.00 10.31 C ATOM 2460 C ARG A 167 -14.339 8.280 2.945 1.00 10.80 C ATOM 2461 O ARG A 167 -15.093 8.772 3.784 1.00 11.13 O ATOM 2462 CB ARG A 167 -16.106 7.800 1.149 1.00 10.89 C ATOM 2463 CG ARG A 167 -16.429 6.418 1.679 1.00 11.67 C ATOM 2464 CD ARG A 167 -16.790 6.501 3.138 1.00 12.28 C ATOM 2465 NE ARG A 167 -18.177 6.919 3.346 1.00 13.07 N ATOM 2466 CZ ARG A 167 -18.574 7.708 4.342 1.00 13.78 C ATOM 2467 NH1 ARG A 167 -17.691 8.193 5.207 1.00 13.81 N1+ ATOM 2468 NH2 ARG A 167 -19.858 8.023 4.463 1.00 14.58 N ATOM 0 H ARG A 167 -13.991 6.524 0.553 1.00 9.50 H new ATOM 0 HA ARG A 167 -14.629 9.326 1.128 1.00 10.31 H new ATOM 0 HB2 ARG A 167 -16.816 8.511 1.571 1.00 10.89 H new ATOM 0 HB3 ARG A 167 -16.254 7.804 0.069 1.00 10.89 H new ATOM 0 HG2 ARG A 167 -17.256 5.987 1.115 1.00 11.67 H new ATOM 0 HG3 ARG A 167 -15.572 5.758 1.544 1.00 11.67 H new ATOM 0 HD2 ARG A 167 -16.633 5.529 3.604 1.00 12.28 H new ATOM 0 HD3 ARG A 167 -16.123 7.205 3.635 1.00 12.28 H new ATOM 0 HE ARG A 167 -18.882 6.586 2.688 1.00 13.07 H new ATOM 0 HH11 ARG A 167 -16.702 7.962 5.110 1.00 13.81 H new ATOM 0 HH12 ARG A 167 -18.001 8.797 5.968 1.00 13.81 H new ATOM 0 HH21 ARG A 167 -20.537 7.661 3.794 1.00 14.58 H new ATOM 0 HH22 ARG A 167 -20.165 8.627 5.225 1.00 14.58 H new ATOM 2482 N MET A 168 -13.175 7.727 3.246 1.00 11.01 N ATOM 2483 CA MET A 168 -12.649 7.672 4.598 1.00 11.55 C ATOM 2484 C MET A 168 -11.134 7.529 4.534 1.00 11.86 C ATOM 2485 O MET A 168 -10.558 7.524 3.444 1.00 11.94 O ATOM 2486 CB MET A 168 -13.284 6.511 5.384 1.00 11.57 C ATOM 2487 CG MET A 168 -13.316 5.173 4.650 1.00 11.64 C ATOM 2488 SD MET A 168 -11.681 4.479 4.350 1.00 11.27 S ATOM 2489 CE MET A 168 -11.634 4.505 2.559 1.00 10.38 C ATOM 0 H MET A 168 -12.563 7.300 2.550 1.00 11.01 H new ATOM 0 HA MET A 168 -12.899 8.593 5.124 1.00 11.55 H new ATOM 0 HB2 MET A 168 -12.736 6.383 6.318 1.00 11.57 H new ATOM 0 HB3 MET A 168 -14.305 6.787 5.648 1.00 11.57 H new ATOM 0 HG2 MET A 168 -13.903 4.462 5.232 1.00 11.64 H new ATOM 0 HG3 MET A 168 -13.828 5.303 3.696 1.00 11.64 H new ATOM 0 HE1 MET A 168 -10.852 3.833 2.206 1.00 10.38 H new ATOM 0 HE2 MET A 168 -12.597 4.180 2.165 1.00 10.38 H new ATOM 0 HE3 MET A 168 -11.424 5.518 2.215 1.00 10.38 H new ATOM 2499 N GLN A 169 -10.491 7.430 5.686 1.00 12.22 N ATOM 2500 CA GLN A 169 -9.040 7.287 5.742 1.00 12.70 C ATOM 2501 C GLN A 169 -8.668 6.082 6.599 1.00 12.99 C ATOM 2502 O GLN A 169 -7.497 5.838 6.885 1.00 13.33 O ATOM 2503 CB GLN A 169 -8.386 8.555 6.321 1.00 13.10 C ATOM 2504 CG GLN A 169 -8.672 8.799 7.800 1.00 13.81 C ATOM 2505 CD GLN A 169 -10.087 9.283 8.079 1.00 14.46 C ATOM 2506 OE1 GLN A 169 -10.661 8.974 9.122 1.00 14.64 O ATOM 2507 NE2 GLN A 169 -10.651 10.061 7.167 1.00 14.99 N ATOM 0 H GLN A 169 -10.949 7.446 6.597 1.00 12.22 H new ATOM 0 HA GLN A 169 -8.672 7.139 4.727 1.00 12.70 H new ATOM 0 HB2 GLN A 169 -7.307 8.489 6.179 1.00 13.10 H new ATOM 0 HB3 GLN A 169 -8.730 9.418 5.751 1.00 13.10 H new ATOM 0 HG2 GLN A 169 -8.499 7.875 8.351 1.00 13.81 H new ATOM 0 HG3 GLN A 169 -7.964 9.535 8.181 1.00 13.81 H new ATOM 0 HE21 GLN A 169 -10.144 10.296 6.314 1.00 14.99 H new ATOM 0 HE22 GLN A 169 -11.592 10.425 7.318 1.00 14.99 H new ATOM 2516 N GLU A 170 -9.680 5.325 6.992 1.00 13.03 N ATOM 2517 CA GLU A 170 -9.535 4.320 8.037 1.00 13.47 C ATOM 2518 C GLU A 170 -9.268 2.928 7.475 1.00 13.57 C ATOM 2519 O GLU A 170 -9.733 1.930 8.026 1.00 13.95 O ATOM 2520 CB GLU A 170 -10.793 4.309 8.905 1.00 14.04 C ATOM 2521 CG GLU A 170 -12.072 4.154 8.101 1.00 14.40 C ATOM 2522 CD GLU A 170 -13.313 4.269 8.950 1.00 14.65 C ATOM 2523 OE1 GLU A 170 -13.694 5.405 9.297 1.00 14.64 O ATOM 2524 OE2 GLU A 170 -13.908 3.226 9.286 1.00 15.01 O1- ATOM 0 H GLU A 170 -10.619 5.388 6.600 1.00 13.03 H new ATOM 0 HA GLU A 170 -8.666 4.588 8.639 1.00 13.47 H new ATOM 0 HB2 GLU A 170 -10.723 3.494 9.625 1.00 14.04 H new ATOM 0 HB3 GLU A 170 -10.841 5.236 9.477 1.00 14.04 H new ATOM 0 HG2 GLU A 170 -12.100 4.914 7.320 1.00 14.40 H new ATOM 0 HG3 GLU A 170 -12.067 3.185 7.602 1.00 14.40 H new ATOM 2531 N THR A 171 -8.512 2.855 6.392 1.00 13.39 N ATOM 2532 CA THR A 171 -8.177 1.574 5.791 1.00 13.67 C ATOM 2533 C THR A 171 -6.744 1.157 6.103 1.00 13.64 C ATOM 2534 O THR A 171 -6.408 -0.026 6.063 1.00 13.80 O ATOM 2535 CB THR A 171 -8.375 1.615 4.274 1.00 13.90 C ATOM 2536 OG1 THR A 171 -7.788 2.807 3.737 1.00 13.68 O ATOM 2537 CG2 THR A 171 -9.850 1.561 3.919 1.00 14.25 C ATOM 0 H THR A 171 -8.119 3.665 5.912 1.00 13.39 H new ATOM 0 HA THR A 171 -8.852 0.836 6.225 1.00 13.67 H new ATOM 0 HB THR A 171 -7.885 0.743 3.840 1.00 13.90 H new ATOM 0 HG1 THR A 171 -7.917 2.826 2.766 1.00 13.68 H new ATOM 0 HG21 THR A 171 -9.965 1.591 2.835 1.00 14.25 H new ATOM 0 HG22 THR A 171 -10.283 0.638 4.304 1.00 14.25 H new ATOM 0 HG23 THR A 171 -10.362 2.415 4.362 1.00 14.25 H new ATOM 2545 N THR A 172 -5.905 2.130 6.427 1.00 13.61 N ATOM 2546 CA THR A 172 -4.493 1.862 6.669 1.00 13.78 C ATOM 2547 C THR A 172 -4.234 1.499 8.130 1.00 14.39 C ATOM 2548 O THR A 172 -3.583 0.497 8.426 1.00 14.89 O ATOM 2549 CB THR A 172 -3.616 3.061 6.232 1.00 13.53 C ATOM 2550 OG1 THR A 172 -2.232 2.814 6.510 1.00 13.57 O ATOM 2551 CG2 THR A 172 -4.044 4.362 6.894 1.00 13.88 C ATOM 0 H THR A 172 -6.175 3.108 6.528 1.00 13.61 H new ATOM 0 HA THR A 172 -4.215 1.001 6.062 1.00 13.78 H new ATOM 0 HB THR A 172 -3.755 3.169 5.156 1.00 13.53 H new ATOM 0 HG1 THR A 172 -1.684 3.506 6.084 1.00 13.57 H new ATOM 0 HG21 THR A 172 -3.398 5.172 6.555 1.00 13.88 H new ATOM 0 HG22 THR A 172 -5.077 4.584 6.625 1.00 13.88 H new ATOM 0 HG23 THR A 172 -3.964 4.263 7.977 1.00 13.88 H new ATOM 2559 N SER A 173 -4.734 2.312 9.040 1.00 14.50 N ATOM 2560 CA SER A 173 -4.602 2.025 10.461 1.00 15.21 C ATOM 2561 C SER A 173 -5.968 1.906 11.127 1.00 15.64 C ATOM 2562 O SER A 173 -6.060 1.561 12.304 1.00 15.85 O ATOM 2563 CB SER A 173 -3.760 3.100 11.160 1.00 15.46 C ATOM 2564 OG SER A 173 -4.382 4.372 11.089 1.00 15.55 O ATOM 0 H SER A 173 -5.234 3.175 8.825 1.00 14.50 H new ATOM 0 HA SER A 173 -4.091 1.067 10.559 1.00 15.21 H new ATOM 0 HB2 SER A 173 -3.610 2.825 12.204 1.00 15.46 H new ATOM 0 HB3 SER A 173 -2.774 3.149 10.698 1.00 15.46 H new ATOM 0 HG SER A 173 -3.825 4.979 10.558 1.00 15.55 H new ATOM 2570 N GLY A 174 -7.026 2.177 10.370 1.00 15.94 N ATOM 2571 CA GLY A 174 -8.373 2.116 10.917 1.00 16.51 C ATOM 2572 C GLY A 174 -8.698 0.756 11.503 1.00 16.95 C ATOM 2573 O GLY A 174 -9.402 0.650 12.510 1.00 17.54 O ATOM 0 H GLY A 174 -6.977 2.438 9.385 1.00 15.94 H new ATOM 0 HA2 GLY A 174 -8.483 2.877 11.689 1.00 16.51 H new ATOM 0 HA3 GLY A 174 -9.092 2.352 10.132 1.00 16.51 H new ATOM 2577 N LEU A 175 -8.182 -0.283 10.870 1.00 16.81 N ATOM 2578 CA LEU A 175 -8.349 -1.638 11.361 1.00 17.34 C ATOM 2579 C LEU A 175 -6.995 -2.337 11.399 1.00 17.70 C ATOM 2580 O LEU A 175 -6.867 -3.509 11.042 1.00 17.85 O ATOM 2581 CB LEU A 175 -9.358 -2.421 10.503 1.00 17.29 C ATOM 2582 CG LEU A 175 -8.977 -2.661 9.032 1.00 17.29 C ATOM 2583 CD1 LEU A 175 -9.866 -3.735 8.430 1.00 17.42 C ATOM 2584 CD2 LEU A 175 -9.095 -1.386 8.208 1.00 17.14 C ATOM 0 H LEU A 175 -7.640 -0.212 10.009 1.00 16.81 H new ATOM 0 HA LEU A 175 -8.753 -1.599 12.373 1.00 17.34 H new ATOM 0 HB2 LEU A 175 -9.524 -3.390 10.973 1.00 17.29 H new ATOM 0 HB3 LEU A 175 -10.309 -1.888 10.525 1.00 17.29 H new ATOM 0 HG LEU A 175 -7.937 -2.988 9.011 1.00 17.29 H new ATOM 0 HD11 LEU A 175 -9.587 -3.896 7.389 1.00 17.42 H new ATOM 0 HD12 LEU A 175 -9.743 -4.664 8.987 1.00 17.42 H new ATOM 0 HD13 LEU A 175 -10.907 -3.417 8.482 1.00 17.42 H new ATOM 0 HD21 LEU A 175 -8.818 -1.594 7.174 1.00 17.14 H new ATOM 0 HD22 LEU A 175 -10.123 -1.024 8.243 1.00 17.14 H new ATOM 0 HD23 LEU A 175 -8.429 -0.626 8.616 1.00 17.14 H new ATOM 2596 N GLU A 176 -5.988 -1.581 11.852 1.00 17.97 N ATOM 2597 CA GLU A 176 -4.595 -2.030 11.881 1.00 18.46 C ATOM 2598 C GLU A 176 -4.084 -2.238 10.451 1.00 18.48 C ATOM 2599 O GLU A 176 -4.826 -2.055 9.486 1.00 18.35 O ATOM 2600 CB GLU A 176 -4.454 -3.316 12.705 1.00 18.91 C ATOM 2601 CG GLU A 176 -3.096 -3.460 13.379 1.00 19.00 C ATOM 2602 CD GLU A 176 -2.902 -4.805 14.042 1.00 19.35 C ATOM 2603 OE1 GLU A 176 -3.499 -5.027 15.115 1.00 19.40 O1- ATOM 2604 OE2 GLU A 176 -2.170 -5.652 13.488 1.00 19.67 O ATOM 0 H GLU A 176 -6.120 -0.635 12.210 1.00 17.97 H new ATOM 0 HA GLU A 176 -3.989 -1.261 12.360 1.00 18.46 H new ATOM 0 HB2 GLU A 176 -5.233 -3.337 13.467 1.00 18.91 H new ATOM 0 HB3 GLU A 176 -4.621 -4.175 12.055 1.00 18.91 H new ATOM 0 HG2 GLU A 176 -2.311 -3.311 12.637 1.00 19.00 H new ATOM 0 HG3 GLU A 176 -2.982 -2.674 14.126 1.00 19.00 H new ATOM 2611 N VAL A 177 -2.811 -2.588 10.315 1.00 18.75 N ATOM 2612 CA VAL A 177 -2.212 -2.764 8.997 1.00 18.92 C ATOM 2613 C VAL A 177 -1.581 -4.153 8.857 1.00 19.38 C ATOM 2614 O VAL A 177 -1.145 -4.553 7.777 1.00 19.52 O ATOM 2615 CB VAL A 177 -1.150 -1.670 8.727 1.00 18.88 C ATOM 2616 CG1 VAL A 177 0.097 -1.894 9.568 1.00 19.38 C ATOM 2617 CG2 VAL A 177 -0.805 -1.594 7.246 1.00 18.51 C ATOM 0 H VAL A 177 -2.176 -2.755 11.096 1.00 18.75 H new ATOM 0 HA VAL A 177 -3.008 -2.672 8.258 1.00 18.92 H new ATOM 0 HB VAL A 177 -1.580 -0.712 9.019 1.00 18.88 H new ATOM 0 HG11 VAL A 177 0.824 -1.110 9.356 1.00 19.38 H new ATOM 0 HG12 VAL A 177 -0.168 -1.868 10.625 1.00 19.38 H new ATOM 0 HG13 VAL A 177 0.529 -2.865 9.326 1.00 19.38 H new ATOM 0 HG21 VAL A 177 -0.057 -0.817 7.086 1.00 18.51 H new ATOM 0 HG22 VAL A 177 -0.408 -2.554 6.915 1.00 18.51 H new ATOM 0 HG23 VAL A 177 -1.703 -1.356 6.675 1.00 18.51 H new ATOM 2627 N LEU A 178 -1.543 -4.890 9.959 1.00 19.73 N ATOM 2628 CA LEU A 178 -0.927 -6.210 9.961 1.00 20.29 C ATOM 2629 C LEU A 178 -1.969 -7.290 10.232 1.00 20.67 C ATOM 2630 O LEU A 178 -1.980 -8.328 9.570 1.00 20.64 O ATOM 2631 CB LEU A 178 0.189 -6.273 11.010 1.00 20.68 C ATOM 2632 CG LEU A 178 0.975 -7.587 11.060 1.00 20.91 C ATOM 2633 CD1 LEU A 178 1.702 -7.834 9.748 1.00 20.95 C ATOM 2634 CD2 LEU A 178 1.959 -7.572 12.222 1.00 21.15 C ATOM 0 H LEU A 178 -1.929 -4.599 10.857 1.00 19.73 H new ATOM 0 HA LEU A 178 -0.495 -6.389 8.977 1.00 20.29 H new ATOM 0 HB2 LEU A 178 0.888 -5.459 10.820 1.00 20.68 H new ATOM 0 HB3 LEU A 178 -0.249 -6.095 11.992 1.00 20.68 H new ATOM 0 HG LEU A 178 0.268 -8.402 11.213 1.00 20.91 H new ATOM 0 HD11 LEU A 178 2.253 -8.773 9.808 1.00 20.95 H new ATOM 0 HD12 LEU A 178 0.978 -7.890 8.936 1.00 20.95 H new ATOM 0 HD13 LEU A 178 2.398 -7.017 9.558 1.00 20.95 H new ATOM 0 HD21 LEU A 178 2.510 -8.512 12.244 1.00 21.15 H new ATOM 0 HD22 LEU A 178 2.658 -6.745 12.096 1.00 21.15 H new ATOM 0 HD23 LEU A 178 1.415 -7.448 13.158 1.00 21.15 H new ATOM 2646 N PHE A 179 -2.828 -7.042 11.215 1.00 21.16 N ATOM 2647 CA PHE A 179 -3.907 -7.964 11.555 1.00 21.69 C ATOM 2648 C PHE A 179 -4.811 -8.211 10.352 1.00 22.01 C ATOM 2649 O PHE A 179 -5.196 -7.274 9.648 1.00 22.11 O ATOM 2650 CB PHE A 179 -4.727 -7.397 12.718 1.00 22.17 C ATOM 2651 CG PHE A 179 -5.791 -8.324 13.233 1.00 22.45 C ATOM 2652 CD1 PHE A 179 -5.483 -9.301 14.162 1.00 22.88 C ATOM 2653 CD2 PHE A 179 -7.099 -8.208 12.796 1.00 22.38 C ATOM 2654 CE1 PHE A 179 -6.459 -10.145 14.647 1.00 23.25 C ATOM 2655 CE2 PHE A 179 -8.081 -9.053 13.276 1.00 22.75 C ATOM 2656 CZ PHE A 179 -7.759 -10.023 14.204 1.00 23.19 C ATOM 0 H PHE A 179 -2.797 -6.203 11.795 1.00 21.16 H new ATOM 0 HA PHE A 179 -3.467 -8.916 11.853 1.00 21.69 H new ATOM 0 HB2 PHE A 179 -4.051 -7.148 13.536 1.00 22.17 H new ATOM 0 HB3 PHE A 179 -5.196 -6.467 12.397 1.00 22.17 H new ATOM 0 HD1 PHE A 179 -4.466 -9.404 14.511 1.00 22.88 H new ATOM 0 HD2 PHE A 179 -7.355 -7.449 12.072 1.00 22.38 H new ATOM 0 HE1 PHE A 179 -6.205 -10.902 15.374 1.00 23.25 H new ATOM 0 HE2 PHE A 179 -9.098 -8.955 12.926 1.00 22.75 H new ATOM 0 HZ PHE A 179 -8.524 -10.685 14.582 1.00 23.19 H new ATOM 2666 N GLN A 180 -5.143 -9.470 10.123 1.00 22.29 N ATOM 2667 CA GLN A 180 -6.012 -9.844 9.025 1.00 22.74 C ATOM 2668 C GLN A 180 -6.868 -11.041 9.428 1.00 22.89 C ATOM 2669 O GLN A 180 -8.052 -10.845 9.765 1.00 22.88 O ATOM 2670 CB GLN A 180 -5.187 -10.169 7.776 1.00 23.08 C ATOM 2671 CG GLN A 180 -6.028 -10.370 6.525 1.00 23.17 C ATOM 2672 CD GLN A 180 -6.860 -9.148 6.192 1.00 23.36 C ATOM 2673 OE1 GLN A 180 -7.993 -9.013 6.652 1.00 23.45 O ATOM 2674 NE2 GLN A 180 -6.308 -8.253 5.392 1.00 23.52 N ATOM 2675 OXT GLN A 180 -6.341 -12.174 9.432 1.00 23.12 O ATOM 0 H GLN A 180 -4.820 -10.255 10.689 1.00 22.29 H new ATOM 0 HA GLN A 180 -6.667 -9.005 8.791 1.00 22.74 H new ATOM 0 HB2 GLN A 180 -4.477 -9.361 7.600 1.00 23.08 H new ATOM 0 HB3 GLN A 180 -4.604 -11.071 7.961 1.00 23.08 H new ATOM 0 HG2 GLN A 180 -5.375 -10.603 5.684 1.00 23.17 H new ATOM 0 HG3 GLN A 180 -6.686 -11.228 6.665 1.00 23.17 H new ATOM 0 HE21 GLN A 180 -5.366 -8.403 5.032 1.00 23.52 H new ATOM 0 HE22 GLN A 180 -6.824 -7.412 5.134 1.00 23.52 H new TER 2684 GLN A 180 HETATM 2685 AG AG A 200 8.618 8.460 -21.872 1.00 9.75 AG