USER MOD reduce.3.24.130724 H: found=0, std=0, add=917, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 914 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 ASP N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 HIS : no HD1:sc= -0.0993 X(o=-0.099,f=-0.43) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 16 ASN : amide:sc= -0.536 K(o=-0.54,f=-3.6!) USER MOD Single : A 24 HIS : no HE2:sc= -0.198 K(o=-0.2,f=-4.5!) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 TYR OH : rot 85:sc= 0.21 USER MOD Single : A 38 HIS : no HD1:sc= 0 X(o=0,f=-0.00094) USER MOD Single : A 40 LYS NZ :NH3+ -115:sc= 0.448 (180deg=0) USER MOD Single : A 46 TYR OH : rot -81:sc= 1.3 USER MOD Single : A 48 LYS NZ :NH3+ -154:sc= -0.245 (180deg=-1.44) USER MOD Single : A 52 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0335) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 SER OG : rot 170:sc= -0.536 USER MOD Single : A 64 LYS NZ :NH3+ -178:sc= -0.69 (180deg=-0.711) USER MOD Single : A 68 THR OG1 : rot -22:sc= 0.521 USER MOD Single : A 71 SER OG : rot 180:sc= 0.0676 USER MOD Single : A 75 GLN : amide:sc= -0.233 K(o=-0.23,f=-2.6!) USER MOD Single : A 76 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 77 TYR OH : rot 79:sc= 1.77 USER MOD Single : A 82 TYR OH : rot 130:sc= -1.82! USER MOD Single : A 84 THR OG1 : rot -65:sc= 0.788 USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 ASN : amide:sc= -3.33! C(o=-3.3!,f=-8.3!) USER MOD Single : A 93 THR OG1 : rot 56:sc= 0.0215 USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 TYR OH : rot 152:sc= -3.11 USER MOD Single : A 100 THR OG1 : rot 52:sc= 0.134 USER MOD Single : A 110 ASN : amide:sc= 0.328 X(o=0.33,f=0) USER MOD Single : A 113 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 116 THR OG1 : rot -177:sc= -1.19 USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 1 -11.007 8.489 13.617 1.00 7.08 N ATOM 2 CA ASP A 1 -10.848 8.159 15.063 1.00 6.65 C ATOM 3 C ASP A 1 -9.464 7.556 15.317 1.00 5.96 C ATOM 4 O ASP A 1 -9.317 6.360 15.468 1.00 6.16 O ATOM 5 CB ASP A 1 -11.941 7.132 15.359 1.00 7.15 C ATOM 6 CG ASP A 1 -12.605 7.468 16.696 1.00 7.15 C ATOM 7 OD1 ASP A 1 -12.941 8.624 16.894 1.00 7.22 O ATOM 8 OD2 ASP A 1 -12.768 6.563 17.498 1.00 7.37 O ATOM 0 H1 ASP A 1 -11.950 8.898 13.456 1.00 7.08 H new ATOM 0 H2 ASP A 1 -10.279 9.176 13.336 1.00 7.08 H new ATOM 0 H3 ASP A 1 -10.903 7.623 13.050 1.00 7.08 H new ATOM 0 HA ASP A 1 -10.934 9.040 15.699 1.00 6.65 H new ATOM 0 HB2 ASP A 1 -12.683 7.134 14.561 1.00 7.15 H new ATOM 0 HB3 ASP A 1 -11.514 6.130 15.394 1.00 7.15 H new ATOM 15 N ALA A 2 -8.448 8.380 15.369 1.00 5.41 N ATOM 16 CA ALA A 2 -7.061 7.872 15.613 1.00 4.78 C ATOM 17 C ALA A 2 -6.633 6.923 14.481 1.00 3.77 C ATOM 18 O ALA A 2 -7.304 5.947 14.212 1.00 3.42 O ATOM 19 CB ALA A 2 -7.126 7.120 16.948 1.00 5.00 C ATOM 0 H ALA A 2 -8.519 9.391 15.252 1.00 5.41 H new ATOM 0 HA ALA A 2 -6.333 8.682 15.643 1.00 4.78 H new ATOM 0 HB1 ALA A 2 -6.141 6.720 17.189 1.00 5.00 H new ATOM 0 HB2 ALA A 2 -7.443 7.804 17.736 1.00 5.00 H new ATOM 0 HB3 ALA A 2 -7.841 6.301 16.870 1.00 5.00 H new ATOM 25 N PRO A 3 -5.525 7.232 13.848 1.00 3.56 N ATOM 26 CA PRO A 3 -5.031 6.378 12.740 1.00 2.78 C ATOM 27 C PRO A 3 -4.456 5.071 13.292 1.00 2.04 C ATOM 28 O PRO A 3 -3.458 5.064 13.985 1.00 2.31 O ATOM 29 CB PRO A 3 -3.939 7.222 12.091 1.00 3.38 C ATOM 30 CG PRO A 3 -3.472 8.147 13.170 1.00 4.09 C ATOM 31 CD PRO A 3 -4.641 8.383 14.090 1.00 4.30 C ATOM 0 HA PRO A 3 -5.814 6.094 12.037 1.00 2.78 H new ATOM 0 HB2 PRO A 3 -3.123 6.598 11.725 1.00 3.38 H new ATOM 0 HB3 PRO A 3 -4.325 7.776 11.235 1.00 3.38 H new ATOM 0 HG2 PRO A 3 -2.635 7.711 13.715 1.00 4.09 H new ATOM 0 HG3 PRO A 3 -3.120 9.087 12.745 1.00 4.09 H new ATOM 0 HD2 PRO A 3 -4.325 8.431 15.132 1.00 4.30 H new ATOM 0 HD3 PRO A 3 -5.142 9.325 13.865 1.00 4.30 H new ATOM 39 N GLU A 4 -5.077 3.964 12.989 1.00 1.37 N ATOM 40 CA GLU A 4 -4.565 2.659 13.496 1.00 1.14 C ATOM 41 C GLU A 4 -3.728 1.967 12.419 1.00 0.89 C ATOM 42 O GLU A 4 -3.818 2.285 11.250 1.00 1.30 O ATOM 43 CB GLU A 4 -5.815 1.836 13.811 1.00 1.67 C ATOM 44 CG GLU A 4 -5.554 0.964 15.040 1.00 2.39 C ATOM 45 CD GLU A 4 -6.445 -0.279 14.980 1.00 2.65 C ATOM 46 OE1 GLU A 4 -6.494 -0.899 13.930 1.00 3.05 O ATOM 47 OE2 GLU A 4 -7.062 -0.590 15.986 1.00 3.09 O ATOM 0 H GLU A 4 -5.916 3.907 12.413 1.00 1.37 H new ATOM 0 HA GLU A 4 -3.925 2.779 14.370 1.00 1.14 H new ATOM 0 HB2 GLU A 4 -6.662 2.497 13.994 1.00 1.67 H new ATOM 0 HB3 GLU A 4 -6.077 1.211 12.957 1.00 1.67 H new ATOM 0 HG2 GLU A 4 -4.505 0.671 15.076 1.00 2.39 H new ATOM 0 HG3 GLU A 4 -5.759 1.528 15.950 1.00 2.39 H new ATOM 54 N GLU A 5 -2.916 1.020 12.802 1.00 1.00 N ATOM 55 CA GLU A 5 -2.079 0.309 11.795 1.00 0.81 C ATOM 56 C GLU A 5 -2.087 -1.194 12.066 1.00 0.87 C ATOM 57 O GLU A 5 -2.655 -1.661 13.034 1.00 1.15 O ATOM 58 CB GLU A 5 -0.671 0.878 11.968 1.00 0.95 C ATOM 59 CG GLU A 5 -0.661 2.352 11.554 1.00 1.46 C ATOM 60 CD GLU A 5 -0.788 3.235 12.797 1.00 1.82 C ATOM 61 OE1 GLU A 5 -0.328 2.815 13.846 1.00 2.50 O ATOM 62 OE2 GLU A 5 -1.341 4.316 12.678 1.00 2.19 O ATOM 0 H GLU A 5 -2.796 0.709 13.766 1.00 1.00 H new ATOM 0 HA GLU A 5 -2.451 0.450 10.780 1.00 0.81 H new ATOM 0 HB2 GLU A 5 -0.352 0.779 13.006 1.00 0.95 H new ATOM 0 HB3 GLU A 5 0.038 0.314 11.361 1.00 0.95 H new ATOM 0 HG2 GLU A 5 0.262 2.585 11.023 1.00 1.46 H new ATOM 0 HG3 GLU A 5 -1.483 2.553 10.867 1.00 1.46 H new ATOM 69 N GLU A 6 -1.464 -1.957 11.213 1.00 0.79 N ATOM 70 CA GLU A 6 -1.437 -3.430 11.413 1.00 1.04 C ATOM 71 C GLU A 6 -0.004 -3.954 11.285 1.00 1.10 C ATOM 72 O GLU A 6 0.652 -3.758 10.281 1.00 1.76 O ATOM 73 CB GLU A 6 -2.318 -3.987 10.297 1.00 1.28 C ATOM 74 CG GLU A 6 -3.759 -4.103 10.799 1.00 1.68 C ATOM 75 CD GLU A 6 -3.904 -5.367 11.649 1.00 1.97 C ATOM 76 OE1 GLU A 6 -3.913 -6.443 11.075 1.00 2.63 O ATOM 77 OE2 GLU A 6 -4.003 -5.235 12.858 1.00 2.24 O ATOM 0 H GLU A 6 -0.972 -1.623 10.385 1.00 0.79 H new ATOM 0 HA GLU A 6 -1.792 -3.725 12.400 1.00 1.04 H new ATOM 0 HB2 GLU A 6 -2.276 -3.334 9.425 1.00 1.28 H new ATOM 0 HB3 GLU A 6 -1.951 -4.964 9.982 1.00 1.28 H new ATOM 0 HG2 GLU A 6 -4.022 -3.224 11.388 1.00 1.68 H new ATOM 0 HG3 GLU A 6 -4.448 -4.139 9.955 1.00 1.68 H new ATOM 84 N ASP A 7 0.484 -4.617 12.297 1.00 1.27 N ATOM 85 CA ASP A 7 1.875 -5.155 12.242 1.00 1.35 C ATOM 86 C ASP A 7 2.871 -4.026 11.936 1.00 1.28 C ATOM 87 O ASP A 7 3.395 -3.396 12.833 1.00 2.01 O ATOM 88 CB ASP A 7 1.858 -6.198 11.123 1.00 1.53 C ATOM 89 CG ASP A 7 1.593 -7.581 11.720 1.00 1.92 C ATOM 90 OD1 ASP A 7 2.366 -7.997 12.567 1.00 2.57 O ATOM 91 OD2 ASP A 7 0.622 -8.201 11.320 1.00 2.36 O ATOM 0 H ASP A 7 -0.021 -4.810 13.162 1.00 1.27 H new ATOM 0 HA ASP A 7 2.188 -5.594 13.190 1.00 1.35 H new ATOM 0 HB2 ASP A 7 1.087 -5.951 10.393 1.00 1.53 H new ATOM 0 HB3 ASP A 7 2.811 -6.195 10.594 1.00 1.53 H new ATOM 96 N HIS A 8 3.144 -3.765 10.683 1.00 1.21 N ATOM 97 CA HIS A 8 4.112 -2.677 10.350 1.00 1.11 C ATOM 98 C HIS A 8 3.509 -1.693 9.337 1.00 0.81 C ATOM 99 O HIS A 8 4.072 -0.650 9.071 1.00 0.87 O ATOM 100 CB HIS A 8 5.319 -3.392 9.740 1.00 1.32 C ATOM 101 CG HIS A 8 5.839 -4.420 10.706 1.00 1.61 C ATOM 102 ND1 HIS A 8 6.157 -4.108 12.018 1.00 2.30 N ATOM 103 CD2 HIS A 8 6.107 -5.760 10.565 1.00 2.02 C ATOM 104 CE1 HIS A 8 6.592 -5.236 12.610 1.00 2.53 C ATOM 105 NE2 HIS A 8 6.581 -6.273 11.768 1.00 2.33 N ATOM 0 H HIS A 8 2.743 -4.253 9.883 1.00 1.21 H new ATOM 0 HA HIS A 8 4.377 -2.092 11.231 1.00 1.11 H new ATOM 0 HB2 HIS A 8 5.035 -3.870 8.803 1.00 1.32 H new ATOM 0 HB3 HIS A 8 6.101 -2.670 9.506 1.00 1.32 H new ATOM 0 HD2 HIS A 8 5.970 -6.329 9.657 1.00 2.02 H new ATOM 0 HE1 HIS A 8 6.911 -5.295 13.640 1.00 2.53 H new ATOM 0 HE2 HIS A 8 6.860 -7.234 11.965 1.00 2.33 H new ATOM 113 N VAL A 9 2.375 -2.006 8.767 1.00 0.69 N ATOM 114 CA VAL A 9 1.762 -1.080 7.780 1.00 0.49 C ATOM 115 C VAL A 9 0.566 -0.361 8.406 1.00 0.41 C ATOM 116 O VAL A 9 0.078 -0.745 9.449 1.00 0.54 O ATOM 117 CB VAL A 9 1.306 -1.982 6.635 1.00 0.68 C ATOM 118 CG1 VAL A 9 2.518 -2.696 6.034 1.00 0.89 C ATOM 119 CG2 VAL A 9 0.312 -3.017 7.165 1.00 0.88 C ATOM 0 H VAL A 9 1.850 -2.862 8.944 1.00 0.69 H new ATOM 0 HA VAL A 9 2.455 -0.309 7.444 1.00 0.49 H new ATOM 0 HB VAL A 9 0.824 -1.378 5.866 1.00 0.68 H new ATOM 0 HG11 VAL A 9 2.193 -3.340 5.217 1.00 0.89 H new ATOM 0 HG12 VAL A 9 3.224 -1.957 5.655 1.00 0.89 H new ATOM 0 HG13 VAL A 9 3.002 -3.300 6.801 1.00 0.89 H new ATOM 0 HG21 VAL A 9 -0.013 -3.661 6.348 1.00 0.88 H new ATOM 0 HG22 VAL A 9 0.792 -3.622 7.934 1.00 0.88 H new ATOM 0 HG23 VAL A 9 -0.552 -2.507 7.591 1.00 0.88 H new ATOM 129 N LEU A 10 0.087 0.678 7.779 1.00 0.41 N ATOM 130 CA LEU A 10 -1.079 1.412 8.347 1.00 0.54 C ATOM 131 C LEU A 10 -2.292 1.293 7.420 1.00 0.42 C ATOM 132 O LEU A 10 -2.166 1.307 6.213 1.00 0.59 O ATOM 133 CB LEU A 10 -0.621 2.869 8.465 1.00 0.83 C ATOM 134 CG LEU A 10 -0.412 3.469 7.072 1.00 0.96 C ATOM 135 CD1 LEU A 10 -1.667 4.237 6.653 1.00 1.30 C ATOM 136 CD2 LEU A 10 0.779 4.424 7.108 1.00 1.49 C ATOM 0 H LEU A 10 0.451 1.049 6.901 1.00 0.41 H new ATOM 0 HA LEU A 10 -1.386 1.008 9.312 1.00 0.54 H new ATOM 0 HB2 LEU A 10 -1.365 3.449 9.012 1.00 0.83 H new ATOM 0 HB3 LEU A 10 0.306 2.922 9.035 1.00 0.83 H new ATOM 0 HG LEU A 10 -0.220 2.670 6.356 1.00 0.96 H new ATOM 0 HD11 LEU A 10 -1.518 4.664 5.661 1.00 1.30 H new ATOM 0 HD12 LEU A 10 -2.519 3.558 6.631 1.00 1.30 H new ATOM 0 HD13 LEU A 10 -1.859 5.037 7.368 1.00 1.30 H new ATOM 0 HD21 LEU A 10 0.931 4.853 6.118 1.00 1.49 H new ATOM 0 HD22 LEU A 10 0.584 5.223 7.824 1.00 1.49 H new ATOM 0 HD23 LEU A 10 1.674 3.879 7.408 1.00 1.49 H new ATOM 148 N VAL A 11 -3.464 1.187 7.977 1.00 0.54 N ATOM 149 CA VAL A 11 -4.684 1.076 7.125 1.00 0.46 C ATOM 150 C VAL A 11 -5.189 2.471 6.760 1.00 0.43 C ATOM 151 O VAL A 11 -5.079 3.403 7.532 1.00 0.54 O ATOM 152 CB VAL A 11 -5.717 0.334 7.977 1.00 0.61 C ATOM 153 CG1 VAL A 11 -5.215 -1.083 8.269 1.00 1.04 C ATOM 154 CG2 VAL A 11 -5.935 1.083 9.293 1.00 1.39 C ATOM 0 H VAL A 11 -3.633 1.172 8.983 1.00 0.54 H new ATOM 0 HA VAL A 11 -4.487 0.548 6.192 1.00 0.46 H new ATOM 0 HB VAL A 11 -6.661 0.280 7.434 1.00 0.61 H new ATOM 0 HG11 VAL A 11 -5.950 -1.612 8.876 1.00 1.04 H new ATOM 0 HG12 VAL A 11 -5.067 -1.617 7.330 1.00 1.04 H new ATOM 0 HG13 VAL A 11 -4.270 -1.030 8.809 1.00 1.04 H new ATOM 0 HG21 VAL A 11 -6.671 0.552 9.896 1.00 1.39 H new ATOM 0 HG22 VAL A 11 -4.993 1.142 9.838 1.00 1.39 H new ATOM 0 HG23 VAL A 11 -6.297 2.090 9.083 1.00 1.39 H new ATOM 164 N LEU A 12 -5.738 2.624 5.588 1.00 0.40 N ATOM 165 CA LEU A 12 -6.245 3.963 5.175 1.00 0.45 C ATOM 166 C LEU A 12 -7.766 3.937 5.038 1.00 0.44 C ATOM 167 O LEU A 12 -8.400 2.913 5.202 1.00 0.58 O ATOM 168 CB LEU A 12 -5.583 4.235 3.825 1.00 0.63 C ATOM 169 CG LEU A 12 -4.075 4.403 4.024 1.00 0.76 C ATOM 170 CD1 LEU A 12 -3.410 4.699 2.676 1.00 1.16 C ATOM 171 CD2 LEU A 12 -3.813 5.563 4.987 1.00 0.82 C ATOM 0 H LEU A 12 -5.858 1.882 4.899 1.00 0.40 H new ATOM 0 HA LEU A 12 -6.012 4.737 5.906 1.00 0.45 H new ATOM 0 HB2 LEU A 12 -5.781 3.412 3.138 1.00 0.63 H new ATOM 0 HB3 LEU A 12 -6.004 5.134 3.375 1.00 0.63 H new ATOM 0 HG LEU A 12 -3.660 3.485 4.439 1.00 0.76 H new ATOM 0 HD11 LEU A 12 -2.336 4.819 2.819 1.00 1.16 H new ATOM 0 HD12 LEU A 12 -3.595 3.873 1.990 1.00 1.16 H new ATOM 0 HD13 LEU A 12 -3.825 5.617 2.259 1.00 1.16 H new ATOM 0 HD21 LEU A 12 -2.739 5.683 5.129 1.00 0.82 H new ATOM 0 HD22 LEU A 12 -4.229 6.481 4.572 1.00 0.82 H new ATOM 0 HD23 LEU A 12 -4.284 5.353 5.947 1.00 0.82 H new ATOM 183 N ARG A 13 -8.354 5.060 4.742 1.00 0.47 N ATOM 184 CA ARG A 13 -9.834 5.110 4.597 1.00 0.55 C ATOM 185 C ARG A 13 -10.241 6.347 3.795 1.00 0.54 C ATOM 186 O ARG A 13 -9.412 7.126 3.368 1.00 0.73 O ATOM 187 CB ARG A 13 -10.368 5.198 6.027 1.00 0.69 C ATOM 188 CG ARG A 13 -11.201 3.953 6.339 1.00 1.19 C ATOM 189 CD ARG A 13 -11.679 4.011 7.790 1.00 1.28 C ATOM 190 NE ARG A 13 -10.766 3.093 8.529 1.00 1.86 N ATOM 191 CZ ARG A 13 -11.232 1.992 9.051 1.00 2.30 C ATOM 192 NH1 ARG A 13 -12.355 2.010 9.716 1.00 2.68 N ATOM 193 NH2 ARG A 13 -10.574 0.874 8.909 1.00 2.84 N ATOM 0 H ARG A 13 -7.873 5.947 4.594 1.00 0.47 H new ATOM 0 HA ARG A 13 -10.229 4.243 4.068 1.00 0.55 H new ATOM 0 HB2 ARG A 13 -9.540 5.280 6.731 1.00 0.69 H new ATOM 0 HB3 ARG A 13 -10.977 6.095 6.145 1.00 0.69 H new ATOM 0 HG2 ARG A 13 -12.056 3.896 5.665 1.00 1.19 H new ATOM 0 HG3 ARG A 13 -10.606 3.054 6.176 1.00 1.19 H new ATOM 0 HD2 ARG A 13 -11.624 5.026 8.184 1.00 1.28 H new ATOM 0 HD3 ARG A 13 -12.717 3.691 7.877 1.00 1.28 H new ATOM 0 HE ARG A 13 -9.778 3.326 8.626 1.00 1.86 H new ATOM 0 HH11 ARG A 13 -12.868 2.885 9.827 1.00 2.68 H new ATOM 0 HH12 ARG A 13 -12.720 1.149 10.124 1.00 2.68 H new ATOM 0 HH21 ARG A 13 -9.696 0.861 8.390 1.00 2.84 H new ATOM 0 HH22 ARG A 13 -10.938 0.013 9.317 1.00 2.84 H new ATOM 207 N LYS A 14 -11.513 6.530 3.583 1.00 0.58 N ATOM 208 CA LYS A 14 -11.982 7.714 2.804 1.00 0.63 C ATOM 209 C LYS A 14 -11.501 9.019 3.447 1.00 0.65 C ATOM 210 O LYS A 14 -11.506 10.063 2.824 1.00 0.83 O ATOM 211 CB LYS A 14 -13.508 7.634 2.854 1.00 0.74 C ATOM 212 CG LYS A 14 -14.072 7.633 1.430 1.00 1.26 C ATOM 213 CD LYS A 14 -14.924 8.885 1.221 1.00 1.92 C ATOM 214 CE LYS A 14 -16.317 8.660 1.815 1.00 2.26 C ATOM 215 NZ LYS A 14 -17.258 9.224 0.809 1.00 2.80 N ATOM 0 H LYS A 14 -12.252 5.910 3.915 1.00 0.58 H new ATOM 0 HA LYS A 14 -11.595 7.707 1.785 1.00 0.63 H new ATOM 0 HB2 LYS A 14 -13.817 6.730 3.379 1.00 0.74 H new ATOM 0 HB3 LYS A 14 -13.908 8.480 3.413 1.00 0.74 H new ATOM 0 HG2 LYS A 14 -13.259 7.608 0.705 1.00 1.26 H new ATOM 0 HG3 LYS A 14 -14.673 6.739 1.266 1.00 1.26 H new ATOM 0 HD2 LYS A 14 -14.449 9.744 1.695 1.00 1.92 H new ATOM 0 HD3 LYS A 14 -15.003 9.111 0.158 1.00 1.92 H new ATOM 0 HE2 LYS A 14 -16.508 7.600 1.984 1.00 2.26 H new ATOM 0 HE3 LYS A 14 -16.421 9.160 2.778 1.00 2.26 H new ATOM 0 HZ1 LYS A 14 -18.236 9.108 1.144 1.00 2.80 H new ATOM 0 HZ2 LYS A 14 -17.056 10.235 0.674 1.00 2.80 H new ATOM 0 HZ3 LYS A 14 -17.140 8.724 -0.095 1.00 2.80 H new ATOM 229 N SER A 15 -11.104 8.980 4.690 1.00 0.68 N ATOM 230 CA SER A 15 -10.649 10.235 5.362 1.00 0.88 C ATOM 231 C SER A 15 -9.129 10.242 5.571 1.00 0.81 C ATOM 232 O SER A 15 -8.549 11.261 5.887 1.00 1.05 O ATOM 233 CB SER A 15 -11.370 10.239 6.709 1.00 1.10 C ATOM 234 OG SER A 15 -12.560 11.007 6.606 1.00 1.68 O ATOM 0 H SER A 15 -11.074 8.140 5.268 1.00 0.68 H new ATOM 0 HA SER A 15 -10.876 11.116 4.761 1.00 0.88 H new ATOM 0 HB2 SER A 15 -11.608 9.219 7.009 1.00 1.10 H new ATOM 0 HB3 SER A 15 -10.721 10.655 7.480 1.00 1.10 H new ATOM 0 HG SER A 15 -13.024 11.009 7.469 1.00 1.68 H new ATOM 240 N ASN A 16 -8.476 9.124 5.406 1.00 0.65 N ATOM 241 CA ASN A 16 -6.994 9.100 5.608 1.00 0.68 C ATOM 242 C ASN A 16 -6.263 8.962 4.267 1.00 0.55 C ATOM 243 O ASN A 16 -5.068 9.162 4.182 1.00 0.56 O ATOM 244 CB ASN A 16 -6.721 7.874 6.484 1.00 0.87 C ATOM 245 CG ASN A 16 -7.604 7.918 7.733 1.00 0.91 C ATOM 246 OD1 ASN A 16 -8.176 8.940 8.053 1.00 1.74 O ATOM 247 ND2 ASN A 16 -7.737 6.840 8.456 1.00 0.98 N ATOM 0 H ASN A 16 -8.897 8.233 5.143 1.00 0.65 H new ATOM 0 HA ASN A 16 -6.640 10.022 6.069 1.00 0.68 H new ATOM 0 HB2 ASN A 16 -6.919 6.962 5.920 1.00 0.87 H new ATOM 0 HB3 ASN A 16 -5.670 7.849 6.772 1.00 0.87 H new ATOM 0 HD21 ASN A 16 -8.322 6.855 9.291 1.00 0.98 H new ATOM 0 HD22 ASN A 16 -7.256 5.982 8.186 1.00 0.98 H new ATOM 254 N PHE A 17 -6.964 8.616 3.222 1.00 0.55 N ATOM 255 CA PHE A 17 -6.296 8.459 1.897 1.00 0.51 C ATOM 256 C PHE A 17 -5.639 9.773 1.463 1.00 0.46 C ATOM 257 O PHE A 17 -4.431 9.869 1.362 1.00 0.52 O ATOM 258 CB PHE A 17 -7.416 8.077 0.933 1.00 0.56 C ATOM 259 CG PHE A 17 -6.812 7.668 -0.387 1.00 0.62 C ATOM 260 CD1 PHE A 17 -6.248 8.633 -1.228 1.00 0.79 C ATOM 261 CD2 PHE A 17 -6.822 6.322 -0.772 1.00 0.78 C ATOM 262 CE1 PHE A 17 -5.692 8.253 -2.453 1.00 0.90 C ATOM 263 CE2 PHE A 17 -6.267 5.943 -1.998 1.00 0.89 C ATOM 264 CZ PHE A 17 -5.683 6.909 -2.830 1.00 0.87 C ATOM 0 H PHE A 17 -7.968 8.435 3.227 1.00 0.55 H new ATOM 0 HA PHE A 17 -5.505 7.710 1.925 1.00 0.51 H new ATOM 0 HB2 PHE A 17 -8.005 7.259 1.347 1.00 0.56 H new ATOM 0 HB3 PHE A 17 -8.094 8.919 0.792 1.00 0.56 H new ATOM 0 HD1 PHE A 17 -6.242 9.671 -0.931 1.00 0.79 H new ATOM 0 HD2 PHE A 17 -7.258 5.577 -0.123 1.00 0.78 H new ATOM 0 HE1 PHE A 17 -5.269 9.000 -3.108 1.00 0.90 H new ATOM 0 HE2 PHE A 17 -6.288 4.907 -2.304 1.00 0.89 H new ATOM 0 HZ PHE A 17 -5.226 6.613 -3.763 1.00 0.87 H new ATOM 274 N ALA A 18 -6.421 10.785 1.200 1.00 0.52 N ATOM 275 CA ALA A 18 -5.838 12.089 0.769 1.00 0.66 C ATOM 276 C ALA A 18 -4.772 12.549 1.767 1.00 0.59 C ATOM 277 O ALA A 18 -3.893 13.322 1.440 1.00 0.75 O ATOM 278 CB ALA A 18 -7.016 13.065 0.754 1.00 0.84 C ATOM 0 H ALA A 18 -7.439 10.766 1.265 1.00 0.52 H new ATOM 0 HA ALA A 18 -5.352 12.022 -0.204 1.00 0.66 H new ATOM 0 HB1 ALA A 18 -6.668 14.051 0.446 1.00 0.84 H new ATOM 0 HB2 ALA A 18 -7.772 12.712 0.053 1.00 0.84 H new ATOM 0 HB3 ALA A 18 -7.448 13.129 1.753 1.00 0.84 H new ATOM 284 N GLU A 19 -4.840 12.072 2.978 1.00 0.46 N ATOM 285 CA GLU A 19 -3.833 12.468 3.996 1.00 0.49 C ATOM 286 C GLU A 19 -2.577 11.627 3.822 1.00 0.48 C ATOM 287 O GLU A 19 -1.479 12.132 3.772 1.00 0.56 O ATOM 288 CB GLU A 19 -4.491 12.158 5.336 1.00 0.55 C ATOM 289 CG GLU A 19 -3.618 12.701 6.469 1.00 0.69 C ATOM 290 CD GLU A 19 -4.255 13.967 7.046 1.00 1.04 C ATOM 291 OE1 GLU A 19 -5.433 13.924 7.360 1.00 1.78 O ATOM 292 OE2 GLU A 19 -3.554 14.959 7.164 1.00 1.66 O ATOM 0 H GLU A 19 -5.554 11.422 3.306 1.00 0.46 H new ATOM 0 HA GLU A 19 -3.542 13.515 3.915 1.00 0.49 H new ATOM 0 HB2 GLU A 19 -5.483 12.608 5.379 1.00 0.55 H new ATOM 0 HB3 GLU A 19 -4.624 11.082 5.448 1.00 0.55 H new ATOM 0 HG2 GLU A 19 -3.508 11.948 7.250 1.00 0.69 H new ATOM 0 HG3 GLU A 19 -2.618 12.922 6.097 1.00 0.69 H new ATOM 299 N ALA A 20 -2.739 10.339 3.731 1.00 0.45 N ATOM 300 CA ALA A 20 -1.558 9.441 3.560 1.00 0.53 C ATOM 301 C ALA A 20 -0.634 9.962 2.454 1.00 0.57 C ATOM 302 O ALA A 20 0.570 10.006 2.608 1.00 0.71 O ATOM 303 CB ALA A 20 -2.148 8.084 3.174 1.00 0.57 C ATOM 0 H ALA A 20 -3.641 9.864 3.767 1.00 0.45 H new ATOM 0 HA ALA A 20 -0.954 9.384 4.465 1.00 0.53 H new ATOM 0 HB1 ALA A 20 -1.342 7.365 3.029 1.00 0.57 H new ATOM 0 HB2 ALA A 20 -2.808 7.735 3.968 1.00 0.57 H new ATOM 0 HB3 ALA A 20 -2.715 8.184 2.249 1.00 0.57 H new ATOM 309 N LEU A 21 -1.187 10.358 1.344 1.00 0.55 N ATOM 310 CA LEU A 21 -0.336 10.878 0.235 1.00 0.69 C ATOM 311 C LEU A 21 0.383 12.151 0.682 1.00 0.75 C ATOM 312 O LEU A 21 1.595 12.223 0.693 1.00 0.92 O ATOM 313 CB LEU A 21 -1.304 11.181 -0.908 1.00 0.74 C ATOM 314 CG LEU A 21 -1.290 10.021 -1.905 1.00 0.84 C ATOM 315 CD1 LEU A 21 -2.629 9.286 -1.850 1.00 0.90 C ATOM 316 CD2 LEU A 21 -1.066 10.562 -3.318 1.00 1.44 C ATOM 0 H LEU A 21 -2.189 10.345 1.155 1.00 0.55 H new ATOM 0 HA LEU A 21 0.431 10.165 -0.066 1.00 0.69 H new ATOM 0 HB2 LEU A 21 -2.311 11.328 -0.517 1.00 0.74 H new ATOM 0 HB3 LEU A 21 -1.018 12.107 -1.406 1.00 0.74 H new ATOM 0 HG LEU A 21 -0.485 9.333 -1.648 1.00 0.84 H new ATOM 0 HD11 LEU A 21 -2.620 8.459 -2.560 1.00 0.90 H new ATOM 0 HD12 LEU A 21 -2.790 8.898 -0.844 1.00 0.90 H new ATOM 0 HD13 LEU A 21 -3.433 9.976 -2.106 1.00 0.90 H new ATOM 0 HD21 LEU A 21 -1.056 9.734 -4.027 1.00 1.44 H new ATOM 0 HD22 LEU A 21 -1.870 11.251 -3.576 1.00 1.44 H new ATOM 0 HD23 LEU A 21 -0.112 11.087 -3.360 1.00 1.44 H new ATOM 328 N ALA A 22 -0.359 13.150 1.062 1.00 0.71 N ATOM 329 CA ALA A 22 0.273 14.421 1.522 1.00 0.85 C ATOM 330 C ALA A 22 1.007 14.200 2.851 1.00 0.89 C ATOM 331 O ALA A 22 1.747 15.047 3.310 1.00 1.08 O ATOM 332 CB ALA A 22 -0.890 15.396 1.706 1.00 1.00 C ATOM 0 H ALA A 22 -1.379 13.144 1.075 1.00 0.71 H new ATOM 0 HA ALA A 22 1.011 14.795 0.813 1.00 0.85 H new ATOM 0 HB1 ALA A 22 -0.507 16.359 2.045 1.00 1.00 H new ATOM 0 HB2 ALA A 22 -1.410 15.526 0.757 1.00 1.00 H new ATOM 0 HB3 ALA A 22 -1.583 15.000 2.448 1.00 1.00 H new ATOM 338 N ALA A 23 0.804 13.069 3.475 1.00 0.86 N ATOM 339 CA ALA A 23 1.481 12.794 4.771 1.00 0.93 C ATOM 340 C ALA A 23 2.897 12.271 4.515 1.00 0.85 C ATOM 341 O ALA A 23 3.862 12.774 5.055 1.00 0.95 O ATOM 342 CB ALA A 23 0.612 11.725 5.438 1.00 1.05 C ATOM 0 H ALA A 23 0.195 12.323 3.139 1.00 0.86 H new ATOM 0 HA ALA A 23 1.583 13.681 5.396 1.00 0.93 H new ATOM 0 HB1 ALA A 23 1.039 11.460 6.405 1.00 1.05 H new ATOM 0 HB2 ALA A 23 -0.397 12.113 5.581 1.00 1.05 H new ATOM 0 HB3 ALA A 23 0.574 10.839 4.804 1.00 1.05 H new ATOM 348 N HIS A 24 3.029 11.271 3.686 1.00 0.83 N ATOM 349 CA HIS A 24 4.383 10.725 3.386 1.00 0.84 C ATOM 350 C HIS A 24 4.622 10.736 1.874 1.00 0.82 C ATOM 351 O HIS A 24 3.735 10.449 1.095 1.00 1.30 O ATOM 352 CB HIS A 24 4.366 9.293 3.920 1.00 0.95 C ATOM 353 CG HIS A 24 5.282 9.193 5.109 1.00 1.22 C ATOM 354 ND1 HIS A 24 6.593 8.756 5.000 1.00 1.80 N ATOM 355 CD2 HIS A 24 5.091 9.474 6.440 1.00 1.84 C ATOM 356 CE1 HIS A 24 7.135 8.786 6.231 1.00 2.04 C ATOM 357 NE2 HIS A 24 6.263 9.216 7.146 1.00 2.00 N ATOM 0 H HIS A 24 2.258 10.809 3.204 1.00 0.83 H new ATOM 0 HA HIS A 24 5.180 11.313 3.842 1.00 0.84 H new ATOM 0 HB2 HIS A 24 3.352 9.011 4.203 1.00 0.95 H new ATOM 0 HB3 HIS A 24 4.685 8.599 3.142 1.00 0.95 H new ATOM 0 HD1 HIS A 24 7.062 8.465 4.142 1.00 1.80 H new ATOM 0 HD2 HIS A 24 4.172 9.839 6.873 1.00 1.84 H new ATOM 0 HE1 HIS A 24 8.152 8.497 6.452 1.00 2.04 H new ATOM 365 N LYS A 25 5.811 11.071 1.451 1.00 0.72 N ATOM 366 CA LYS A 25 6.099 11.104 -0.013 1.00 0.69 C ATOM 367 C LYS A 25 5.675 9.786 -0.673 1.00 0.59 C ATOM 368 O LYS A 25 4.583 9.667 -1.192 1.00 0.68 O ATOM 369 CB LYS A 25 7.612 11.303 -0.116 1.00 0.81 C ATOM 370 CG LYS A 25 7.929 12.800 -0.129 1.00 1.20 C ATOM 371 CD LYS A 25 9.023 13.079 -1.160 1.00 1.51 C ATOM 372 CE LYS A 25 10.375 12.626 -0.605 1.00 2.06 C ATOM 373 NZ LYS A 25 11.352 13.637 -1.096 1.00 2.47 N ATOM 0 H LYS A 25 6.594 11.323 2.054 1.00 0.72 H new ATOM 0 HA LYS A 25 5.551 11.896 -0.523 1.00 0.69 H new ATOM 0 HB2 LYS A 25 8.111 10.822 0.725 1.00 0.81 H new ATOM 0 HB3 LYS A 25 7.991 10.832 -1.023 1.00 0.81 H new ATOM 0 HG2 LYS A 25 7.032 13.371 -0.371 1.00 1.20 H new ATOM 0 HG3 LYS A 25 8.255 13.122 0.860 1.00 1.20 H new ATOM 0 HD2 LYS A 25 8.805 12.553 -2.089 1.00 1.51 H new ATOM 0 HD3 LYS A 25 9.053 14.143 -1.396 1.00 1.51 H new ATOM 0 HE2 LYS A 25 10.361 12.587 0.484 1.00 2.06 H new ATOM 0 HE3 LYS A 25 10.631 11.627 -0.957 1.00 2.06 H new ATOM 0 HZ1 LYS A 25 12.304 13.394 -0.756 1.00 2.47 H new ATOM 0 HZ2 LYS A 25 11.348 13.647 -2.136 1.00 2.47 H new ATOM 0 HZ3 LYS A 25 11.087 14.577 -0.740 1.00 2.47 H new ATOM 387 N TYR A 26 6.523 8.795 -0.651 1.00 0.52 N ATOM 388 CA TYR A 26 6.159 7.491 -1.268 1.00 0.48 C ATOM 389 C TYR A 26 5.087 6.805 -0.423 1.00 0.46 C ATOM 390 O TYR A 26 5.370 6.242 0.616 1.00 0.53 O ATOM 391 CB TYR A 26 7.454 6.675 -1.257 1.00 0.56 C ATOM 392 CG TYR A 26 8.158 6.809 -2.588 1.00 0.65 C ATOM 393 CD1 TYR A 26 8.232 8.054 -3.227 1.00 0.75 C ATOM 394 CD2 TYR A 26 8.740 5.683 -3.180 1.00 1.08 C ATOM 395 CE1 TYR A 26 8.887 8.172 -4.457 1.00 0.87 C ATOM 396 CE2 TYR A 26 9.397 5.801 -4.411 1.00 1.31 C ATOM 397 CZ TYR A 26 9.470 7.045 -5.050 1.00 1.08 C ATOM 398 OH TYR A 26 10.118 7.162 -6.263 1.00 1.33 O ATOM 0 H TYR A 26 7.452 8.833 -0.232 1.00 0.52 H new ATOM 0 HA TYR A 26 5.757 7.600 -2.275 1.00 0.48 H new ATOM 0 HB2 TYR A 26 8.105 7.021 -0.455 1.00 0.56 H new ATOM 0 HB3 TYR A 26 7.232 5.627 -1.057 1.00 0.56 H new ATOM 0 HD1 TYR A 26 7.783 8.923 -2.769 1.00 0.75 H new ATOM 0 HD2 TYR A 26 8.683 4.723 -2.688 1.00 1.08 H new ATOM 0 HE1 TYR A 26 8.943 9.132 -4.949 1.00 0.87 H new ATOM 0 HE2 TYR A 26 9.848 4.932 -4.868 1.00 1.31 H new ATOM 0 HH TYR A 26 10.466 6.287 -6.533 1.00 1.33 H new ATOM 408 N LEU A 27 3.857 6.853 -0.850 1.00 0.46 N ATOM 409 CA LEU A 27 2.777 6.209 -0.055 1.00 0.45 C ATOM 410 C LEU A 27 2.227 4.987 -0.785 1.00 0.40 C ATOM 411 O LEU A 27 1.620 5.094 -1.831 1.00 0.50 O ATOM 412 CB LEU A 27 1.691 7.275 0.083 1.00 0.51 C ATOM 413 CG LEU A 27 1.032 7.158 1.460 1.00 0.77 C ATOM 414 CD1 LEU A 27 0.455 5.753 1.640 1.00 1.93 C ATOM 415 CD2 LEU A 27 2.075 7.423 2.548 1.00 0.66 C ATOM 0 H LEU A 27 3.554 7.308 -1.711 1.00 0.46 H new ATOM 0 HA LEU A 27 3.139 5.863 0.913 1.00 0.45 H new ATOM 0 HB2 LEU A 27 2.123 8.268 -0.042 1.00 0.51 H new ATOM 0 HB3 LEU A 27 0.944 7.152 -0.701 1.00 0.51 H new ATOM 0 HG LEU A 27 0.228 7.890 1.537 1.00 0.77 H new ATOM 0 HD11 LEU A 27 -0.013 5.675 2.621 1.00 1.93 H new ATOM 0 HD12 LEU A 27 -0.290 5.564 0.867 1.00 1.93 H new ATOM 0 HD13 LEU A 27 1.256 5.018 1.560 1.00 1.93 H new ATOM 0 HD21 LEU A 27 1.607 7.340 3.529 1.00 0.66 H new ATOM 0 HD22 LEU A 27 2.879 6.692 2.467 1.00 0.66 H new ATOM 0 HD23 LEU A 27 2.483 8.426 2.424 1.00 0.66 H new ATOM 427 N LEU A 28 2.424 3.825 -0.232 1.00 0.33 N ATOM 428 CA LEU A 28 1.900 2.598 -0.885 1.00 0.32 C ATOM 429 C LEU A 28 0.669 2.100 -0.129 1.00 0.29 C ATOM 430 O LEU A 28 0.659 2.029 1.083 1.00 0.35 O ATOM 431 CB LEU A 28 3.030 1.577 -0.802 1.00 0.40 C ATOM 432 CG LEU A 28 2.587 0.291 -1.495 1.00 0.53 C ATOM 433 CD1 LEU A 28 2.676 0.480 -3.010 1.00 0.73 C ATOM 434 CD2 LEU A 28 3.491 -0.862 -1.060 1.00 1.12 C ATOM 0 H LEU A 28 2.925 3.673 0.643 1.00 0.33 H new ATOM 0 HA LEU A 28 1.599 2.775 -1.918 1.00 0.32 H new ATOM 0 HB2 LEU A 28 3.929 1.970 -1.277 1.00 0.40 H new ATOM 0 HB3 LEU A 28 3.281 1.377 0.240 1.00 0.40 H new ATOM 0 HG LEU A 28 1.558 0.059 -1.219 1.00 0.53 H new ATOM 0 HD11 LEU A 28 2.361 -0.436 -3.510 1.00 0.73 H new ATOM 0 HD12 LEU A 28 2.026 1.301 -3.313 1.00 0.73 H new ATOM 0 HD13 LEU A 28 3.705 0.710 -3.288 1.00 0.73 H new ATOM 0 HD21 LEU A 28 3.174 -1.780 -1.555 1.00 1.12 H new ATOM 0 HD22 LEU A 28 4.522 -0.639 -1.334 1.00 1.12 H new ATOM 0 HD23 LEU A 28 3.423 -0.990 0.020 1.00 1.12 H new ATOM 446 N VAL A 29 -0.371 1.762 -0.835 1.00 0.32 N ATOM 447 CA VAL A 29 -1.607 1.277 -0.155 1.00 0.32 C ATOM 448 C VAL A 29 -2.206 0.103 -0.938 1.00 0.34 C ATOM 449 O VAL A 29 -1.908 -0.103 -2.097 1.00 0.47 O ATOM 450 CB VAL A 29 -2.561 2.491 -0.119 1.00 0.40 C ATOM 451 CG1 VAL A 29 -2.590 3.186 -1.484 1.00 0.77 C ATOM 452 CG2 VAL A 29 -3.980 2.043 0.246 1.00 0.37 C ATOM 0 H VAL A 29 -0.421 1.800 -1.853 1.00 0.32 H new ATOM 0 HA VAL A 29 -1.415 0.908 0.853 1.00 0.32 H new ATOM 0 HB VAL A 29 -2.196 3.188 0.635 1.00 0.40 H new ATOM 0 HG11 VAL A 29 -3.267 4.040 -1.443 1.00 0.77 H new ATOM 0 HG12 VAL A 29 -1.587 3.529 -1.739 1.00 0.77 H new ATOM 0 HG13 VAL A 29 -2.937 2.484 -2.242 1.00 0.77 H new ATOM 0 HG21 VAL A 29 -4.641 2.910 0.267 1.00 0.37 H new ATOM 0 HG22 VAL A 29 -4.339 1.331 -0.497 1.00 0.37 H new ATOM 0 HG23 VAL A 29 -3.971 1.569 1.228 1.00 0.37 H new ATOM 462 N GLU A 30 -3.040 -0.673 -0.302 1.00 0.32 N ATOM 463 CA GLU A 30 -3.652 -1.843 -0.995 1.00 0.39 C ATOM 464 C GLU A 30 -5.156 -1.905 -0.713 1.00 0.36 C ATOM 465 O GLU A 30 -5.643 -1.351 0.254 1.00 0.42 O ATOM 466 CB GLU A 30 -2.939 -3.062 -0.400 1.00 0.52 C ATOM 467 CG GLU A 30 -3.595 -4.349 -0.909 1.00 0.64 C ATOM 468 CD GLU A 30 -2.633 -5.523 -0.714 1.00 0.89 C ATOM 469 OE1 GLU A 30 -2.036 -5.604 0.346 1.00 1.48 O ATOM 470 OE2 GLU A 30 -2.510 -6.321 -1.629 1.00 1.60 O ATOM 0 H GLU A 30 -3.325 -0.547 0.669 1.00 0.32 H new ATOM 0 HA GLU A 30 -3.541 -1.789 -2.078 1.00 0.39 H new ATOM 0 HB2 GLU A 30 -1.884 -3.048 -0.675 1.00 0.52 H new ATOM 0 HB3 GLU A 30 -2.985 -3.026 0.688 1.00 0.52 H new ATOM 0 HG2 GLU A 30 -4.525 -4.533 -0.371 1.00 0.64 H new ATOM 0 HG3 GLU A 30 -3.852 -4.247 -1.963 1.00 0.64 H new ATOM 477 N PHE A 31 -5.893 -2.572 -1.557 1.00 0.35 N ATOM 478 CA PHE A 31 -7.363 -2.676 -1.356 1.00 0.36 C ATOM 479 C PHE A 31 -7.789 -4.147 -1.346 1.00 0.39 C ATOM 480 O PHE A 31 -7.588 -4.861 -2.308 1.00 0.49 O ATOM 481 CB PHE A 31 -7.956 -1.964 -2.566 1.00 0.41 C ATOM 482 CG PHE A 31 -7.915 -0.470 -2.345 1.00 0.38 C ATOM 483 CD1 PHE A 31 -6.715 0.225 -2.533 1.00 0.45 C ATOM 484 CD2 PHE A 31 -9.069 0.218 -1.953 1.00 0.53 C ATOM 485 CE1 PHE A 31 -6.669 1.610 -2.332 1.00 0.52 C ATOM 486 CE2 PHE A 31 -9.024 1.602 -1.751 1.00 0.59 C ATOM 487 CZ PHE A 31 -7.823 2.299 -1.940 1.00 0.53 C ATOM 0 H PHE A 31 -5.536 -3.053 -2.383 1.00 0.35 H new ATOM 0 HA PHE A 31 -7.692 -2.243 -0.411 1.00 0.36 H new ATOM 0 HB2 PHE A 31 -7.396 -2.224 -3.464 1.00 0.41 H new ATOM 0 HB3 PHE A 31 -8.984 -2.290 -2.725 1.00 0.41 H new ATOM 0 HD1 PHE A 31 -5.824 -0.307 -2.833 1.00 0.45 H new ATOM 0 HD2 PHE A 31 -9.994 -0.319 -1.806 1.00 0.53 H new ATOM 0 HE1 PHE A 31 -5.743 2.147 -2.479 1.00 0.52 H new ATOM 0 HE2 PHE A 31 -9.915 2.133 -1.449 1.00 0.59 H new ATOM 0 HZ PHE A 31 -7.788 3.367 -1.783 1.00 0.53 H new ATOM 497 N TYR A 32 -8.375 -4.611 -0.274 1.00 0.37 N ATOM 498 CA TYR A 32 -8.804 -6.040 -0.238 1.00 0.44 C ATOM 499 C TYR A 32 -9.990 -6.242 0.707 1.00 0.40 C ATOM 500 O TYR A 32 -10.595 -5.304 1.186 1.00 0.45 O ATOM 501 CB TYR A 32 -7.583 -6.821 0.261 1.00 0.54 C ATOM 502 CG TYR A 32 -7.280 -6.457 1.699 1.00 0.54 C ATOM 503 CD1 TYR A 32 -6.831 -5.168 2.009 1.00 0.58 C ATOM 504 CD2 TYR A 32 -7.440 -7.405 2.717 1.00 0.66 C ATOM 505 CE1 TYR A 32 -6.543 -4.826 3.336 1.00 0.67 C ATOM 506 CE2 TYR A 32 -7.151 -7.064 4.043 1.00 0.79 C ATOM 507 CZ TYR A 32 -6.732 -5.790 4.362 1.00 0.77 C ATOM 508 OH TYR A 32 -6.421 -5.438 5.661 1.00 0.94 O ATOM 0 H TYR A 32 -8.573 -4.071 0.568 1.00 0.37 H new ATOM 0 HA TYR A 32 -9.134 -6.378 -1.220 1.00 0.44 H new ATOM 0 HB2 TYR A 32 -7.770 -7.892 0.181 1.00 0.54 H new ATOM 0 HB3 TYR A 32 -6.720 -6.600 -0.367 1.00 0.54 H new ATOM 0 HD1 TYR A 32 -6.707 -4.437 1.224 1.00 0.58 H new ATOM 0 HD2 TYR A 32 -7.787 -8.400 2.479 1.00 0.66 H new ATOM 0 HE1 TYR A 32 -6.180 -3.838 3.577 1.00 0.67 H new ATOM 0 HE2 TYR A 32 -7.257 -7.804 4.822 1.00 0.79 H new ATOM 0 HH TYR A 32 -7.187 -4.984 6.069 1.00 0.94 H new ATOM 518 N ALA A 33 -10.318 -7.476 0.970 1.00 0.40 N ATOM 519 CA ALA A 33 -11.456 -7.784 1.879 1.00 0.44 C ATOM 520 C ALA A 33 -11.282 -9.189 2.468 1.00 0.53 C ATOM 521 O ALA A 33 -10.497 -9.971 1.969 1.00 0.56 O ATOM 522 CB ALA A 33 -12.700 -7.724 0.990 1.00 0.49 C ATOM 0 H ALA A 33 -9.840 -8.293 0.589 1.00 0.40 H new ATOM 0 HA ALA A 33 -11.523 -7.089 2.716 1.00 0.44 H new ATOM 0 HB1 ALA A 33 -13.585 -7.941 1.588 1.00 0.49 H new ATOM 0 HB2 ALA A 33 -12.790 -6.728 0.556 1.00 0.49 H new ATOM 0 HB3 ALA A 33 -12.612 -8.461 0.191 1.00 0.49 H new ATOM 528 N PRO A 34 -12.020 -9.470 3.513 1.00 0.63 N ATOM 529 CA PRO A 34 -11.935 -10.804 4.162 1.00 0.78 C ATOM 530 C PRO A 34 -12.487 -11.887 3.232 1.00 0.82 C ATOM 531 O PRO A 34 -12.176 -13.054 3.367 1.00 0.96 O ATOM 532 CB PRO A 34 -12.803 -10.651 5.409 1.00 0.90 C ATOM 533 CG PRO A 34 -13.748 -9.541 5.079 1.00 0.81 C ATOM 534 CD PRO A 34 -12.996 -8.597 4.180 1.00 0.66 C ATOM 0 HA PRO A 34 -10.914 -11.105 4.398 1.00 0.78 H new ATOM 0 HB2 PRO A 34 -13.339 -11.573 5.634 1.00 0.90 H new ATOM 0 HB3 PRO A 34 -12.200 -10.411 6.284 1.00 0.90 H new ATOM 0 HG2 PRO A 34 -14.639 -9.924 4.582 1.00 0.81 H new ATOM 0 HG3 PRO A 34 -14.082 -9.033 5.984 1.00 0.81 H new ATOM 0 HD2 PRO A 34 -13.658 -8.112 3.463 1.00 0.66 H new ATOM 0 HD3 PRO A 34 -12.506 -7.806 4.747 1.00 0.66 H new ATOM 542 N TRP A 35 -13.301 -11.511 2.283 1.00 0.74 N ATOM 543 CA TRP A 35 -13.864 -12.521 1.341 1.00 0.83 C ATOM 544 C TRP A 35 -13.042 -12.569 0.045 1.00 0.78 C ATOM 545 O TRP A 35 -13.279 -13.394 -0.815 1.00 0.92 O ATOM 546 CB TRP A 35 -15.290 -12.045 1.059 1.00 0.91 C ATOM 547 CG TRP A 35 -15.248 -10.695 0.420 1.00 0.87 C ATOM 548 CD1 TRP A 35 -15.457 -9.523 1.063 1.00 0.84 C ATOM 549 CD2 TRP A 35 -14.985 -10.356 -0.973 1.00 1.25 C ATOM 550 NE1 TRP A 35 -15.339 -8.487 0.154 1.00 0.85 N ATOM 551 CE2 TRP A 35 -15.049 -8.950 -1.114 1.00 1.19 C ATOM 552 CE3 TRP A 35 -14.701 -11.125 -2.115 1.00 1.84 C ATOM 553 CZ2 TRP A 35 -14.837 -8.328 -2.345 1.00 1.66 C ATOM 554 CZ3 TRP A 35 -14.486 -10.502 -3.357 1.00 2.36 C ATOM 555 CH2 TRP A 35 -14.555 -9.107 -3.471 1.00 2.26 C ATOM 0 H TRP A 35 -13.600 -10.550 2.119 1.00 0.74 H new ATOM 0 HA TRP A 35 -13.844 -13.528 1.758 1.00 0.83 H new ATOM 0 HB2 TRP A 35 -15.798 -12.753 0.405 1.00 0.91 H new ATOM 0 HB3 TRP A 35 -15.861 -12.002 1.987 1.00 0.91 H new ATOM 0 HD1 TRP A 35 -15.680 -9.414 2.114 1.00 0.84 H new ATOM 0 HE1 TRP A 35 -15.452 -7.502 0.391 1.00 0.85 H new ATOM 0 HE3 TRP A 35 -14.648 -12.201 -2.038 1.00 1.84 H new ATOM 0 HZ2 TRP A 35 -14.890 -7.252 -2.427 1.00 1.66 H new ATOM 0 HZ3 TRP A 35 -14.266 -11.102 -4.228 1.00 2.36 H new ATOM 0 HH2 TRP A 35 -14.390 -8.634 -4.428 1.00 2.26 H new ATOM 566 N CYS A 36 -12.080 -11.694 -0.106 1.00 0.65 N ATOM 567 CA CYS A 36 -11.251 -11.698 -1.348 1.00 0.67 C ATOM 568 C CYS A 36 -10.706 -13.106 -1.623 1.00 0.84 C ATOM 569 O CYS A 36 -10.460 -13.475 -2.753 1.00 1.63 O ATOM 570 CB CYS A 36 -10.109 -10.720 -1.056 1.00 0.58 C ATOM 571 SG CYS A 36 -8.930 -10.718 -2.432 1.00 1.07 S ATOM 0 H CYS A 36 -11.833 -10.978 0.577 1.00 0.65 H new ATOM 0 HA CYS A 36 -11.822 -11.409 -2.230 1.00 0.67 H new ATOM 0 HB2 CYS A 36 -10.508 -9.717 -0.906 1.00 0.58 H new ATOM 0 HB3 CYS A 36 -9.603 -11.003 -0.133 1.00 0.58 H new ATOM 576 N GLY A 37 -10.514 -13.892 -0.599 1.00 0.96 N ATOM 577 CA GLY A 37 -9.982 -15.269 -0.809 1.00 1.08 C ATOM 578 C GLY A 37 -8.538 -15.183 -1.308 1.00 1.00 C ATOM 579 O GLY A 37 -8.225 -14.433 -2.211 1.00 1.83 O ATOM 0 H GLY A 37 -10.702 -13.641 0.372 1.00 0.96 H new ATOM 0 HA2 GLY A 37 -10.024 -15.833 0.123 1.00 1.08 H new ATOM 0 HA3 GLY A 37 -10.598 -15.803 -1.533 1.00 1.08 H new ATOM 583 N HIS A 38 -7.650 -15.947 -0.724 1.00 0.89 N ATOM 584 CA HIS A 38 -6.220 -15.908 -1.161 1.00 0.97 C ATOM 585 C HIS A 38 -5.675 -14.480 -1.082 1.00 0.88 C ATOM 586 O HIS A 38 -4.684 -14.148 -1.702 1.00 1.13 O ATOM 587 CB HIS A 38 -6.227 -16.392 -2.608 1.00 1.32 C ATOM 588 CG HIS A 38 -5.914 -17.863 -2.649 1.00 1.72 C ATOM 589 ND1 HIS A 38 -6.611 -18.789 -1.888 1.00 2.39 N ATOM 590 CD2 HIS A 38 -4.980 -18.583 -3.353 1.00 2.35 C ATOM 591 CE1 HIS A 38 -6.091 -20.002 -2.149 1.00 2.85 C ATOM 592 NE2 HIS A 38 -5.094 -19.933 -3.035 1.00 2.87 N ATOM 0 H HIS A 38 -7.853 -16.596 0.036 1.00 0.89 H new ATOM 0 HA HIS A 38 -5.586 -16.527 -0.527 1.00 0.97 H new ATOM 0 HB2 HIS A 38 -7.201 -16.204 -3.060 1.00 1.32 H new ATOM 0 HB3 HIS A 38 -5.492 -15.837 -3.191 1.00 1.32 H new ATOM 0 HD2 HIS A 38 -4.266 -18.165 -4.047 1.00 2.35 H new ATOM 0 HE1 HIS A 38 -6.438 -20.920 -1.697 1.00 2.85 H new ATOM 0 HE2 HIS A 38 -4.536 -20.705 -3.400 1.00 2.87 H new ATOM 600 N CYS A 39 -6.308 -13.637 -0.319 1.00 0.79 N ATOM 601 CA CYS A 39 -5.823 -12.235 -0.191 1.00 0.88 C ATOM 602 C CYS A 39 -5.018 -12.090 1.101 1.00 0.82 C ATOM 603 O CYS A 39 -4.181 -11.219 1.233 1.00 1.00 O ATOM 604 CB CYS A 39 -7.093 -11.384 -0.130 1.00 1.08 C ATOM 605 SG CYS A 39 -7.162 -10.286 -1.567 1.00 1.00 S ATOM 0 H CYS A 39 -7.143 -13.858 0.224 1.00 0.79 H new ATOM 0 HA CYS A 39 -5.174 -11.936 -1.014 1.00 0.88 H new ATOM 0 HB2 CYS A 39 -7.973 -12.027 -0.109 1.00 1.08 H new ATOM 0 HB3 CYS A 39 -7.105 -10.798 0.789 1.00 1.08 H new ATOM 610 N LYS A 40 -5.274 -12.941 2.056 1.00 0.78 N ATOM 611 CA LYS A 40 -4.536 -12.867 3.349 1.00 0.94 C ATOM 612 C LYS A 40 -3.133 -13.457 3.184 1.00 0.84 C ATOM 613 O LYS A 40 -2.223 -13.143 3.926 1.00 0.94 O ATOM 614 CB LYS A 40 -5.357 -13.714 4.335 1.00 1.21 C ATOM 615 CG LYS A 40 -6.849 -13.378 4.208 1.00 1.56 C ATOM 616 CD LYS A 40 -7.580 -14.547 3.543 1.00 2.11 C ATOM 617 CE LYS A 40 -8.886 -14.827 4.292 1.00 2.72 C ATOM 618 NZ LYS A 40 -9.914 -14.995 3.226 1.00 3.29 N ATOM 0 H LYS A 40 -5.966 -13.688 1.996 1.00 0.78 H new ATOM 0 HA LYS A 40 -4.419 -11.841 3.697 1.00 0.94 H new ATOM 0 HB2 LYS A 40 -5.197 -14.774 4.136 1.00 1.21 H new ATOM 0 HB3 LYS A 40 -5.020 -13.527 5.355 1.00 1.21 H new ATOM 0 HG2 LYS A 40 -7.274 -13.182 5.193 1.00 1.56 H new ATOM 0 HG3 LYS A 40 -6.980 -12.471 3.618 1.00 1.56 H new ATOM 0 HD2 LYS A 40 -7.790 -14.312 2.500 1.00 2.11 H new ATOM 0 HD3 LYS A 40 -6.948 -15.435 3.548 1.00 2.11 H new ATOM 0 HE2 LYS A 40 -8.804 -15.724 4.906 1.00 2.72 H new ATOM 0 HE3 LYS A 40 -9.142 -14.005 4.961 1.00 2.72 H new ATOM 0 HZ1 LYS A 40 -10.614 -14.229 3.295 1.00 3.29 H new ATOM 0 HZ2 LYS A 40 -9.455 -14.963 2.293 1.00 3.29 H new ATOM 0 HZ3 LYS A 40 -10.391 -15.911 3.345 1.00 3.29 H new ATOM 632 N ALA A 41 -2.954 -14.315 2.217 1.00 0.77 N ATOM 633 CA ALA A 41 -1.613 -14.933 2.002 1.00 0.86 C ATOM 634 C ALA A 41 -0.547 -13.852 1.805 1.00 0.75 C ATOM 635 O ALA A 41 0.627 -14.082 2.018 1.00 0.90 O ATOM 636 CB ALA A 41 -1.767 -15.770 0.732 1.00 0.93 C ATOM 0 H ALA A 41 -3.679 -14.616 1.565 1.00 0.77 H new ATOM 0 HA ALA A 41 -1.296 -15.532 2.855 1.00 0.86 H new ATOM 0 HB1 ALA A 41 -0.821 -16.260 0.503 1.00 0.93 H new ATOM 0 HB2 ALA A 41 -2.539 -16.524 0.885 1.00 0.93 H new ATOM 0 HB3 ALA A 41 -2.051 -15.123 -0.098 1.00 0.93 H new ATOM 642 N LEU A 42 -0.940 -12.676 1.399 1.00 0.65 N ATOM 643 CA LEU A 42 0.061 -11.589 1.187 1.00 0.67 C ATOM 644 C LEU A 42 0.094 -10.644 2.394 1.00 0.63 C ATOM 645 O LEU A 42 1.035 -9.899 2.582 1.00 0.70 O ATOM 646 CB LEU A 42 -0.420 -10.845 -0.059 1.00 0.82 C ATOM 647 CG LEU A 42 0.646 -9.837 -0.491 1.00 0.86 C ATOM 648 CD1 LEU A 42 1.766 -10.566 -1.235 1.00 1.24 C ATOM 649 CD2 LEU A 42 0.016 -8.792 -1.413 1.00 1.37 C ATOM 0 H LEU A 42 -1.908 -12.420 1.205 1.00 0.65 H new ATOM 0 HA LEU A 42 1.071 -11.982 1.067 1.00 0.67 H new ATOM 0 HB2 LEU A 42 -0.616 -11.552 -0.865 1.00 0.82 H new ATOM 0 HB3 LEU A 42 -1.359 -10.332 0.150 1.00 0.82 H new ATOM 0 HG LEU A 42 1.057 -9.343 0.390 1.00 0.86 H new ATOM 0 HD11 LEU A 42 2.526 -9.848 -1.543 1.00 1.24 H new ATOM 0 HD12 LEU A 42 2.215 -11.310 -0.577 1.00 1.24 H new ATOM 0 HD13 LEU A 42 1.356 -11.060 -2.116 1.00 1.24 H new ATOM 0 HD21 LEU A 42 0.776 -8.073 -1.721 1.00 1.37 H new ATOM 0 HD22 LEU A 42 -0.396 -9.285 -2.294 1.00 1.37 H new ATOM 0 HD23 LEU A 42 -0.781 -8.272 -0.882 1.00 1.37 H new ATOM 661 N ALA A 43 -0.926 -10.668 3.211 1.00 0.71 N ATOM 662 CA ALA A 43 -0.955 -9.769 4.405 1.00 0.73 C ATOM 663 C ALA A 43 0.376 -9.829 5.170 1.00 0.67 C ATOM 664 O ALA A 43 0.938 -8.805 5.504 1.00 0.65 O ATOM 665 CB ALA A 43 -2.094 -10.305 5.274 1.00 0.88 C ATOM 0 H ALA A 43 -1.741 -11.271 3.104 1.00 0.71 H new ATOM 0 HA ALA A 43 -1.103 -8.726 4.124 1.00 0.73 H new ATOM 0 HB1 ALA A 43 -2.182 -9.697 6.174 1.00 0.88 H new ATOM 0 HB2 ALA A 43 -3.029 -10.263 4.715 1.00 0.88 H new ATOM 0 HB3 ALA A 43 -1.884 -11.338 5.552 1.00 0.88 H new ATOM 671 N PRO A 44 0.839 -11.030 5.438 1.00 0.69 N ATOM 672 CA PRO A 44 2.106 -11.201 6.183 1.00 0.70 C ATOM 673 C PRO A 44 3.323 -11.089 5.257 1.00 0.59 C ATOM 674 O PRO A 44 4.433 -11.399 5.641 1.00 0.65 O ATOM 675 CB PRO A 44 1.996 -12.605 6.756 1.00 0.83 C ATOM 676 CG PRO A 44 1.059 -13.341 5.842 1.00 0.84 C ATOM 677 CD PRO A 44 0.226 -12.322 5.101 1.00 0.76 C ATOM 0 HA PRO A 44 2.247 -10.434 6.945 1.00 0.70 H new ATOM 0 HB2 PRO A 44 2.971 -13.091 6.792 1.00 0.83 H new ATOM 0 HB3 PRO A 44 1.612 -12.583 7.776 1.00 0.83 H new ATOM 0 HG2 PRO A 44 1.619 -13.958 5.139 1.00 0.84 H new ATOM 0 HG3 PRO A 44 0.418 -14.012 6.414 1.00 0.84 H new ATOM 0 HD2 PRO A 44 0.244 -12.501 4.026 1.00 0.76 H new ATOM 0 HD3 PRO A 44 -0.818 -12.360 5.413 1.00 0.76 H new ATOM 685 N GLU A 45 3.134 -10.626 4.056 1.00 0.53 N ATOM 686 CA GLU A 45 4.279 -10.461 3.131 1.00 0.46 C ATOM 687 C GLU A 45 4.383 -8.977 2.831 1.00 0.41 C ATOM 688 O GLU A 45 5.432 -8.374 2.904 1.00 0.47 O ATOM 689 CB GLU A 45 3.902 -11.253 1.878 1.00 0.48 C ATOM 690 CG GLU A 45 3.660 -12.716 2.255 1.00 0.61 C ATOM 691 CD GLU A 45 5.003 -13.422 2.449 1.00 1.12 C ATOM 692 OE1 GLU A 45 5.763 -12.983 3.296 1.00 1.90 O ATOM 693 OE2 GLU A 45 5.249 -14.390 1.748 1.00 1.83 O ATOM 0 H GLU A 45 2.228 -10.354 3.675 1.00 0.53 H new ATOM 0 HA GLU A 45 5.233 -10.811 3.525 1.00 0.46 H new ATOM 0 HB2 GLU A 45 3.006 -10.830 1.423 1.00 0.48 H new ATOM 0 HB3 GLU A 45 4.699 -11.184 1.137 1.00 0.48 H new ATOM 0 HG2 GLU A 45 3.071 -12.774 3.170 1.00 0.61 H new ATOM 0 HG3 GLU A 45 3.085 -13.214 1.474 1.00 0.61 H new ATOM 700 N TYR A 46 3.268 -8.384 2.537 1.00 0.43 N ATOM 701 CA TYR A 46 3.239 -6.932 2.273 1.00 0.48 C ATOM 702 C TYR A 46 3.339 -6.173 3.608 1.00 0.52 C ATOM 703 O TYR A 46 3.572 -4.983 3.633 1.00 0.69 O ATOM 704 CB TYR A 46 1.883 -6.712 1.594 1.00 0.64 C ATOM 705 CG TYR A 46 1.571 -5.241 1.504 1.00 0.72 C ATOM 706 CD1 TYR A 46 1.137 -4.548 2.636 1.00 1.03 C ATOM 707 CD2 TYR A 46 1.726 -4.573 0.288 1.00 1.02 C ATOM 708 CE1 TYR A 46 0.857 -3.181 2.554 1.00 1.39 C ATOM 709 CE2 TYR A 46 1.445 -3.205 0.201 1.00 1.38 C ATOM 710 CZ TYR A 46 0.979 -2.515 1.335 1.00 1.50 C ATOM 711 OH TYR A 46 0.730 -1.161 1.260 1.00 1.95 O ATOM 0 H TYR A 46 2.364 -8.852 2.468 1.00 0.43 H new ATOM 0 HA TYR A 46 4.062 -6.575 1.653 1.00 0.48 H new ATOM 0 HB2 TYR A 46 1.894 -7.149 0.596 1.00 0.64 H new ATOM 0 HB3 TYR A 46 1.101 -7.222 2.156 1.00 0.64 H new ATOM 0 HD1 TYR A 46 1.018 -5.068 3.575 1.00 1.03 H new ATOM 0 HD2 TYR A 46 2.063 -5.112 -0.585 1.00 1.02 H new ATOM 0 HE1 TYR A 46 0.546 -2.640 3.436 1.00 1.39 H new ATOM 0 HE2 TYR A 46 1.585 -2.681 -0.733 1.00 1.38 H new ATOM 0 HH TYR A 46 -0.237 -1.009 1.205 1.00 1.95 H new ATOM 721 N ALA A 47 3.168 -6.850 4.720 1.00 0.53 N ATOM 722 CA ALA A 47 3.260 -6.149 6.033 1.00 0.62 C ATOM 723 C ALA A 47 4.654 -6.343 6.636 1.00 0.58 C ATOM 724 O ALA A 47 5.084 -5.589 7.484 1.00 0.68 O ATOM 725 CB ALA A 47 2.199 -6.809 6.912 1.00 0.73 C ATOM 0 H ALA A 47 2.970 -7.849 4.771 1.00 0.53 H new ATOM 0 HA ALA A 47 3.099 -5.075 5.940 1.00 0.62 H new ATOM 0 HB1 ALA A 47 2.205 -6.346 7.899 1.00 0.73 H new ATOM 0 HB2 ALA A 47 1.217 -6.680 6.456 1.00 0.73 H new ATOM 0 HB3 ALA A 47 2.417 -7.873 7.009 1.00 0.73 H new ATOM 731 N LYS A 48 5.365 -7.348 6.204 1.00 0.51 N ATOM 732 CA LYS A 48 6.727 -7.585 6.754 1.00 0.55 C ATOM 733 C LYS A 48 7.754 -6.721 6.016 1.00 0.53 C ATOM 734 O LYS A 48 8.750 -6.311 6.576 1.00 0.65 O ATOM 735 CB LYS A 48 6.993 -9.069 6.508 1.00 0.60 C ATOM 736 CG LYS A 48 5.955 -9.911 7.255 1.00 1.03 C ATOM 737 CD LYS A 48 6.021 -9.616 8.757 1.00 1.41 C ATOM 738 CE LYS A 48 7.438 -9.875 9.275 1.00 1.92 C ATOM 739 NZ LYS A 48 7.739 -11.280 8.885 1.00 2.47 N ATOM 0 H LYS A 48 5.061 -8.014 5.494 1.00 0.51 H new ATOM 0 HA LYS A 48 6.801 -7.326 7.810 1.00 0.55 H new ATOM 0 HB2 LYS A 48 6.949 -9.284 5.440 1.00 0.60 H new ATOM 0 HB3 LYS A 48 7.997 -9.329 6.845 1.00 0.60 H new ATOM 0 HG2 LYS A 48 4.957 -9.691 6.877 1.00 1.03 H new ATOM 0 HG3 LYS A 48 6.138 -10.971 7.076 1.00 1.03 H new ATOM 0 HD2 LYS A 48 5.739 -8.580 8.946 1.00 1.41 H new ATOM 0 HD3 LYS A 48 5.308 -10.244 9.292 1.00 1.41 H new ATOM 0 HE2 LYS A 48 8.153 -9.181 8.833 1.00 1.92 H new ATOM 0 HE3 LYS A 48 7.493 -9.745 10.356 1.00 1.92 H new ATOM 0 HZ1 LYS A 48 8.444 -11.678 9.538 1.00 2.47 H new ATOM 0 HZ2 LYS A 48 6.868 -11.847 8.929 1.00 2.47 H new ATOM 0 HZ3 LYS A 48 8.116 -11.298 7.916 1.00 2.47 H new ATOM 753 N ALA A 49 7.519 -6.438 4.764 1.00 0.47 N ATOM 754 CA ALA A 49 8.483 -5.596 3.999 1.00 0.50 C ATOM 755 C ALA A 49 8.627 -4.229 4.669 1.00 0.53 C ATOM 756 O ALA A 49 9.657 -3.592 4.589 1.00 0.65 O ATOM 757 CB ALA A 49 7.872 -5.454 2.605 1.00 0.55 C ATOM 0 H ALA A 49 6.703 -6.752 4.238 1.00 0.47 H new ATOM 0 HA ALA A 49 9.479 -6.038 3.958 1.00 0.50 H new ATOM 0 HB1 ALA A 49 8.526 -4.845 1.981 1.00 0.55 H new ATOM 0 HB2 ALA A 49 7.758 -6.440 2.156 1.00 0.55 H new ATOM 0 HB3 ALA A 49 6.896 -4.975 2.683 1.00 0.55 H new ATOM 763 N ALA A 50 7.602 -3.775 5.335 1.00 0.54 N ATOM 764 CA ALA A 50 7.685 -2.454 6.018 1.00 0.65 C ATOM 765 C ALA A 50 8.494 -2.581 7.312 1.00 0.65 C ATOM 766 O ALA A 50 8.991 -1.607 7.843 1.00 0.77 O ATOM 767 CB ALA A 50 6.236 -2.072 6.326 1.00 0.76 C ATOM 0 H ALA A 50 6.711 -4.261 5.436 1.00 0.54 H new ATOM 0 HA ALA A 50 8.181 -1.702 5.404 1.00 0.65 H new ATOM 0 HB1 ALA A 50 6.214 -1.107 6.831 1.00 0.76 H new ATOM 0 HB2 ALA A 50 5.671 -2.008 5.396 1.00 0.76 H new ATOM 0 HB3 ALA A 50 5.789 -2.829 6.970 1.00 0.76 H new ATOM 773 N GLY A 51 8.630 -3.775 7.824 1.00 0.59 N ATOM 774 CA GLY A 51 9.407 -3.964 9.082 1.00 0.69 C ATOM 775 C GLY A 51 10.904 -3.976 8.767 1.00 0.78 C ATOM 776 O GLY A 51 11.721 -3.603 9.584 1.00 0.90 O ATOM 0 H GLY A 51 8.236 -4.627 7.425 1.00 0.59 H new ATOM 0 HA2 GLY A 51 9.180 -3.162 9.785 1.00 0.69 H new ATOM 0 HA3 GLY A 51 9.119 -4.900 9.562 1.00 0.69 H new ATOM 780 N LYS A 52 11.274 -4.401 7.589 1.00 0.80 N ATOM 781 CA LYS A 52 12.723 -4.431 7.234 1.00 1.01 C ATOM 782 C LYS A 52 13.236 -3.007 6.984 1.00 1.12 C ATOM 783 O LYS A 52 14.420 -2.743 7.044 1.00 1.31 O ATOM 784 CB LYS A 52 12.814 -5.286 5.963 1.00 1.15 C ATOM 785 CG LYS A 52 12.142 -4.565 4.790 1.00 1.49 C ATOM 786 CD LYS A 52 13.163 -4.360 3.667 1.00 1.97 C ATOM 787 CE LYS A 52 13.660 -5.721 3.175 1.00 2.64 C ATOM 788 NZ LYS A 52 15.037 -5.465 2.666 1.00 3.08 N ATOM 0 H LYS A 52 10.640 -4.727 6.860 1.00 0.80 H new ATOM 0 HA LYS A 52 13.336 -4.846 8.034 1.00 1.01 H new ATOM 0 HB2 LYS A 52 13.859 -5.487 5.725 1.00 1.15 H new ATOM 0 HB3 LYS A 52 12.334 -6.250 6.130 1.00 1.15 H new ATOM 0 HG2 LYS A 52 11.297 -5.149 4.426 1.00 1.49 H new ATOM 0 HG3 LYS A 52 11.747 -3.603 5.118 1.00 1.49 H new ATOM 0 HD2 LYS A 52 12.709 -3.808 2.844 1.00 1.97 H new ATOM 0 HD3 LYS A 52 14.001 -3.763 4.027 1.00 1.97 H new ATOM 0 HE2 LYS A 52 13.667 -6.454 3.981 1.00 2.64 H new ATOM 0 HE3 LYS A 52 13.016 -6.117 2.390 1.00 2.64 H new ATOM 0 HZ1 LYS A 52 15.395 -6.317 2.189 1.00 3.08 H new ATOM 0 HZ2 LYS A 52 15.016 -4.673 1.992 1.00 3.08 H new ATOM 0 HZ3 LYS A 52 15.662 -5.226 3.462 1.00 3.08 H new ATOM 802 N LEU A 53 12.350 -2.087 6.711 1.00 1.12 N ATOM 803 CA LEU A 53 12.783 -0.680 6.465 1.00 1.33 C ATOM 804 C LEU A 53 12.355 0.220 7.631 1.00 1.30 C ATOM 805 O LEU A 53 12.844 1.322 7.788 1.00 1.50 O ATOM 806 CB LEU A 53 12.091 -0.260 5.162 1.00 1.55 C ATOM 807 CG LEU A 53 10.576 -0.163 5.373 1.00 1.47 C ATOM 808 CD1 LEU A 53 10.225 1.230 5.898 1.00 2.07 C ATOM 809 CD2 LEU A 53 9.861 -0.401 4.041 1.00 1.82 C ATOM 0 H LEU A 53 11.345 -2.249 6.648 1.00 1.12 H new ATOM 0 HA LEU A 53 13.867 -0.593 6.385 1.00 1.33 H new ATOM 0 HB2 LEU A 53 12.481 0.702 4.828 1.00 1.55 H new ATOM 0 HB3 LEU A 53 12.310 -0.983 4.376 1.00 1.55 H new ATOM 0 HG LEU A 53 10.259 -0.915 6.095 1.00 1.47 H new ATOM 0 HD11 LEU A 53 9.148 1.301 6.049 1.00 2.07 H new ATOM 0 HD12 LEU A 53 10.736 1.401 6.845 1.00 2.07 H new ATOM 0 HD13 LEU A 53 10.541 1.982 5.174 1.00 2.07 H new ATOM 0 HD21 LEU A 53 8.783 -0.332 4.189 1.00 1.82 H new ATOM 0 HD22 LEU A 53 10.177 0.352 3.319 1.00 1.82 H new ATOM 0 HD23 LEU A 53 10.113 -1.392 3.665 1.00 1.82 H new ATOM 821 N LYS A 54 11.446 -0.241 8.453 1.00 1.20 N ATOM 822 CA LYS A 54 10.993 0.587 9.610 1.00 1.35 C ATOM 823 C LYS A 54 12.202 1.103 10.396 1.00 1.40 C ATOM 824 O LYS A 54 12.251 2.248 10.801 1.00 1.67 O ATOM 825 CB LYS A 54 10.157 -0.362 10.471 1.00 1.46 C ATOM 826 CG LYS A 54 9.623 0.388 11.691 1.00 1.91 C ATOM 827 CD LYS A 54 8.317 -0.258 12.156 1.00 2.50 C ATOM 828 CE LYS A 54 7.482 0.770 12.922 1.00 2.87 C ATOM 829 NZ LYS A 54 6.257 0.963 12.095 1.00 3.88 N ATOM 0 H LYS A 54 10.999 -1.154 8.372 1.00 1.20 H new ATOM 0 HA LYS A 54 10.423 1.461 9.296 1.00 1.35 H new ATOM 0 HB2 LYS A 54 9.329 -0.764 9.888 1.00 1.46 H new ATOM 0 HB3 LYS A 54 10.764 -1.210 10.790 1.00 1.46 H new ATOM 0 HG2 LYS A 54 10.358 0.366 12.495 1.00 1.91 H new ATOM 0 HG3 LYS A 54 9.454 1.436 11.442 1.00 1.91 H new ATOM 0 HD2 LYS A 54 7.757 -0.630 11.298 1.00 2.50 H new ATOM 0 HD3 LYS A 54 8.530 -1.116 12.793 1.00 2.50 H new ATOM 0 HE2 LYS A 54 7.232 0.411 13.920 1.00 2.87 H new ATOM 0 HE3 LYS A 54 8.026 1.706 13.047 1.00 2.87 H new ATOM 0 HZ1 LYS A 54 5.633 1.656 12.555 1.00 3.88 H new ATOM 0 HZ2 LYS A 54 6.526 1.312 11.153 1.00 3.88 H new ATOM 0 HZ3 LYS A 54 5.757 0.056 11.999 1.00 3.88 H new ATOM 843 N ALA A 55 13.183 0.267 10.603 1.00 1.63 N ATOM 844 CA ALA A 55 14.393 0.710 11.352 1.00 2.20 C ATOM 845 C ALA A 55 15.261 1.595 10.456 1.00 2.03 C ATOM 846 O ALA A 55 15.965 2.469 10.919 1.00 2.38 O ATOM 847 CB ALA A 55 15.130 -0.579 11.715 1.00 2.78 C ATOM 0 H ALA A 55 13.199 -0.702 10.286 1.00 1.63 H new ATOM 0 HA ALA A 55 14.145 1.295 12.238 1.00 2.20 H new ATOM 0 HB1 ALA A 55 16.036 -0.336 12.270 1.00 2.78 H new ATOM 0 HB2 ALA A 55 14.485 -1.206 12.330 1.00 2.78 H new ATOM 0 HB3 ALA A 55 15.396 -1.115 10.804 1.00 2.78 H new ATOM 853 N GLU A 56 15.208 1.376 9.170 1.00 1.67 N ATOM 854 CA GLU A 56 16.022 2.206 8.237 1.00 1.70 C ATOM 855 C GLU A 56 15.436 3.615 8.152 1.00 1.53 C ATOM 856 O GLU A 56 16.143 4.583 7.950 1.00 1.98 O ATOM 857 CB GLU A 56 15.917 1.501 6.885 1.00 1.99 C ATOM 858 CG GLU A 56 16.499 0.092 6.996 1.00 2.69 C ATOM 859 CD GLU A 56 17.998 0.134 6.694 1.00 3.21 C ATOM 860 OE1 GLU A 56 18.603 1.164 6.943 1.00 3.64 O ATOM 861 OE2 GLU A 56 18.515 -0.863 6.219 1.00 3.63 O ATOM 0 H GLU A 56 14.636 0.658 8.725 1.00 1.67 H new ATOM 0 HA GLU A 56 17.057 2.306 8.563 1.00 1.70 H new ATOM 0 HB2 GLU A 56 14.875 1.451 6.569 1.00 1.99 H new ATOM 0 HB3 GLU A 56 16.454 2.068 6.125 1.00 1.99 H new ATOM 0 HG2 GLU A 56 16.330 -0.305 7.997 1.00 2.69 H new ATOM 0 HG3 GLU A 56 15.995 -0.577 6.298 1.00 2.69 H new ATOM 868 N GLY A 57 14.147 3.735 8.305 1.00 1.58 N ATOM 869 CA GLY A 57 13.508 5.077 8.235 1.00 2.25 C ATOM 870 C GLY A 57 13.340 5.490 6.771 1.00 1.97 C ATOM 871 O GLY A 57 13.512 6.641 6.420 1.00 2.50 O ATOM 0 H GLY A 57 13.507 2.959 8.476 1.00 1.58 H new ATOM 0 HA2 GLY A 57 12.538 5.055 8.731 1.00 2.25 H new ATOM 0 HA3 GLY A 57 14.119 5.810 8.762 1.00 2.25 H new ATOM 875 N SER A 58 13.000 4.566 5.914 1.00 1.30 N ATOM 876 CA SER A 58 12.819 4.918 4.477 1.00 1.23 C ATOM 877 C SER A 58 11.675 5.924 4.330 1.00 1.03 C ATOM 878 O SER A 58 10.830 6.047 5.194 1.00 1.27 O ATOM 879 CB SER A 58 12.472 3.601 3.784 1.00 1.53 C ATOM 880 OG SER A 58 13.275 3.452 2.621 1.00 2.13 O ATOM 0 H SER A 58 12.840 3.586 6.146 1.00 1.30 H new ATOM 0 HA SER A 58 13.708 5.377 4.045 1.00 1.23 H new ATOM 0 HB2 SER A 58 12.639 2.765 4.464 1.00 1.53 H new ATOM 0 HB3 SER A 58 11.416 3.587 3.514 1.00 1.53 H new ATOM 0 HG SER A 58 13.172 2.544 2.267 1.00 2.13 H new ATOM 886 N GLU A 59 11.643 6.648 3.246 1.00 0.85 N ATOM 887 CA GLU A 59 10.558 7.647 3.050 1.00 0.87 C ATOM 888 C GLU A 59 9.291 6.978 2.498 1.00 0.76 C ATOM 889 O GLU A 59 8.256 7.603 2.382 1.00 1.06 O ATOM 890 CB GLU A 59 11.123 8.643 2.038 1.00 1.10 C ATOM 891 CG GLU A 59 11.469 7.912 0.738 1.00 1.05 C ATOM 892 CD GLU A 59 11.504 8.914 -0.416 1.00 1.58 C ATOM 893 OE1 GLU A 59 10.467 9.122 -1.026 1.00 2.13 O ATOM 894 OE2 GLU A 59 12.565 9.458 -0.672 1.00 2.22 O ATOM 0 H GLU A 59 12.322 6.590 2.487 1.00 0.85 H new ATOM 0 HA GLU A 59 10.270 8.126 3.986 1.00 0.87 H new ATOM 0 HB2 GLU A 59 10.395 9.430 1.842 1.00 1.10 H new ATOM 0 HB3 GLU A 59 12.012 9.125 2.444 1.00 1.10 H new ATOM 0 HG2 GLU A 59 12.435 7.416 0.833 1.00 1.05 H new ATOM 0 HG3 GLU A 59 10.731 7.135 0.537 1.00 1.05 H new ATOM 901 N ILE A 60 9.359 5.719 2.149 1.00 0.59 N ATOM 902 CA ILE A 60 8.148 5.037 1.599 1.00 0.57 C ATOM 903 C ILE A 60 7.265 4.531 2.742 1.00 0.52 C ATOM 904 O ILE A 60 7.726 4.304 3.844 1.00 0.63 O ATOM 905 CB ILE A 60 8.659 3.846 0.776 1.00 0.68 C ATOM 906 CG1 ILE A 60 9.906 4.237 -0.032 1.00 1.46 C ATOM 907 CG2 ILE A 60 7.563 3.389 -0.188 1.00 1.34 C ATOM 908 CD1 ILE A 60 11.134 3.551 0.567 1.00 1.60 C ATOM 0 H ILE A 60 10.194 5.137 2.220 1.00 0.59 H new ATOM 0 HA ILE A 60 7.554 5.720 0.991 1.00 0.57 H new ATOM 0 HB ILE A 60 8.921 3.039 1.460 1.00 0.68 H new ATOM 0 HG12 ILE A 60 9.784 3.944 -1.075 1.00 1.46 H new ATOM 0 HG13 ILE A 60 10.037 5.319 -0.019 1.00 1.46 H new ATOM 0 HG21 ILE A 60 7.923 2.543 -0.774 1.00 1.34 H new ATOM 0 HG22 ILE A 60 6.682 3.089 0.379 1.00 1.34 H new ATOM 0 HG23 ILE A 60 7.302 4.209 -0.857 1.00 1.34 H new ATOM 0 HD11 ILE A 60 12.020 3.827 -0.005 1.00 1.60 H new ATOM 0 HD12 ILE A 60 11.258 3.866 1.603 1.00 1.60 H new ATOM 0 HD13 ILE A 60 11.001 2.470 0.530 1.00 1.60 H new ATOM 920 N ARG A 61 6.001 4.350 2.485 1.00 0.45 N ATOM 921 CA ARG A 61 5.087 3.852 3.555 1.00 0.45 C ATOM 922 C ARG A 61 4.086 2.845 2.979 1.00 0.41 C ATOM 923 O ARG A 61 3.441 3.097 1.980 1.00 0.55 O ATOM 924 CB ARG A 61 4.361 5.097 4.065 1.00 0.51 C ATOM 925 CG ARG A 61 5.034 5.594 5.346 1.00 0.75 C ATOM 926 CD ARG A 61 3.969 5.845 6.415 1.00 0.97 C ATOM 927 NE ARG A 61 4.697 5.766 7.711 1.00 1.30 N ATOM 928 CZ ARG A 61 4.200 6.337 8.773 1.00 1.66 C ATOM 929 NH1 ARG A 61 3.294 5.722 9.482 1.00 2.19 N ATOM 930 NH2 ARG A 61 4.612 7.524 9.128 1.00 2.21 N ATOM 0 H ARG A 61 5.559 4.524 1.582 1.00 0.45 H new ATOM 0 HA ARG A 61 5.627 3.338 4.350 1.00 0.45 H new ATOM 0 HB2 ARG A 61 4.380 5.878 3.305 1.00 0.51 H new ATOM 0 HB3 ARG A 61 3.313 4.866 4.258 1.00 0.51 H new ATOM 0 HG2 ARG A 61 5.755 4.857 5.701 1.00 0.75 H new ATOM 0 HG3 ARG A 61 5.588 6.511 5.147 1.00 0.75 H new ATOM 0 HD2 ARG A 61 3.501 6.821 6.284 1.00 0.97 H new ATOM 0 HD3 ARG A 61 3.174 5.101 6.363 1.00 0.97 H new ATOM 0 HE ARG A 61 5.584 5.266 7.768 1.00 1.30 H new ATOM 0 HH11 ARG A 61 2.974 4.794 9.206 1.00 2.19 H new ATOM 0 HH12 ARG A 61 2.906 6.169 10.312 1.00 2.19 H new ATOM 0 HH21 ARG A 61 5.322 8.004 8.575 1.00 2.21 H new ATOM 0 HH22 ARG A 61 4.224 7.971 9.958 1.00 2.21 H new ATOM 944 N LEU A 62 3.947 1.706 3.605 1.00 0.35 N ATOM 945 CA LEU A 62 2.984 0.684 3.097 1.00 0.36 C ATOM 946 C LEU A 62 1.628 0.851 3.790 1.00 0.32 C ATOM 947 O LEU A 62 1.549 1.309 4.913 1.00 0.38 O ATOM 948 CB LEU A 62 3.607 -0.664 3.461 1.00 0.48 C ATOM 949 CG LEU A 62 4.643 -1.052 2.405 1.00 0.73 C ATOM 950 CD1 LEU A 62 6.041 -1.004 3.020 1.00 1.22 C ATOM 951 CD2 LEU A 62 4.362 -2.472 1.910 1.00 1.59 C ATOM 0 H LEU A 62 4.459 1.439 4.446 1.00 0.35 H new ATOM 0 HA LEU A 62 2.810 0.776 2.025 1.00 0.36 H new ATOM 0 HB2 LEU A 62 4.078 -0.605 4.442 1.00 0.48 H new ATOM 0 HB3 LEU A 62 2.833 -1.429 3.524 1.00 0.48 H new ATOM 0 HG LEU A 62 4.585 -0.354 1.570 1.00 0.73 H new ATOM 0 HD11 LEU A 62 6.779 -1.281 2.267 1.00 1.22 H new ATOM 0 HD12 LEU A 62 6.247 0.005 3.377 1.00 1.22 H new ATOM 0 HD13 LEU A 62 6.095 -1.702 3.855 1.00 1.22 H new ATOM 0 HD21 LEU A 62 5.101 -2.748 1.157 1.00 1.59 H new ATOM 0 HD22 LEU A 62 4.420 -3.167 2.747 1.00 1.59 H new ATOM 0 HD23 LEU A 62 3.365 -2.514 1.472 1.00 1.59 H new ATOM 963 N ALA A 63 0.560 0.487 3.132 1.00 0.30 N ATOM 964 CA ALA A 63 -0.784 0.633 3.765 1.00 0.32 C ATOM 965 C ALA A 63 -1.792 -0.326 3.125 1.00 0.31 C ATOM 966 O ALA A 63 -1.568 -0.856 2.055 1.00 0.37 O ATOM 967 CB ALA A 63 -1.187 2.085 3.504 1.00 0.37 C ATOM 0 H ALA A 63 0.559 0.097 2.189 1.00 0.30 H new ATOM 0 HA ALA A 63 -0.762 0.396 4.829 1.00 0.32 H new ATOM 0 HB1 ALA A 63 -2.168 2.274 3.940 1.00 0.37 H new ATOM 0 HB2 ALA A 63 -0.454 2.753 3.957 1.00 0.37 H new ATOM 0 HB3 ALA A 63 -1.226 2.264 2.430 1.00 0.37 H new ATOM 973 N LYS A 64 -2.903 -0.549 3.772 1.00 0.30 N ATOM 974 CA LYS A 64 -3.926 -1.472 3.201 1.00 0.32 C ATOM 975 C LYS A 64 -5.337 -0.961 3.517 1.00 0.32 C ATOM 976 O LYS A 64 -5.552 -0.270 4.493 1.00 0.40 O ATOM 977 CB LYS A 64 -3.668 -2.817 3.883 1.00 0.38 C ATOM 978 CG LYS A 64 -3.932 -2.695 5.385 1.00 1.39 C ATOM 979 CD LYS A 64 -3.381 -3.930 6.102 1.00 1.60 C ATOM 980 CE LYS A 64 -4.158 -4.162 7.398 1.00 2.04 C ATOM 981 NZ LYS A 64 -3.667 -5.475 7.904 1.00 2.26 N ATOM 0 H LYS A 64 -3.147 -0.133 4.671 1.00 0.30 H new ATOM 0 HA LYS A 64 -3.857 -1.548 2.116 1.00 0.32 H new ATOM 0 HB2 LYS A 64 -4.313 -3.583 3.452 1.00 0.38 H new ATOM 0 HB3 LYS A 64 -2.639 -3.132 3.710 1.00 0.38 H new ATOM 0 HG2 LYS A 64 -3.460 -1.794 5.776 1.00 1.39 H new ATOM 0 HG3 LYS A 64 -5.002 -2.601 5.571 1.00 1.39 H new ATOM 0 HD2 LYS A 64 -3.463 -4.804 5.456 1.00 1.60 H new ATOM 0 HD3 LYS A 64 -2.322 -3.793 6.321 1.00 1.60 H new ATOM 0 HE2 LYS A 64 -3.973 -3.366 8.119 1.00 2.04 H new ATOM 0 HE3 LYS A 64 -5.233 -4.184 7.217 1.00 2.04 H new ATOM 0 HZ1 LYS A 64 -4.177 -5.724 8.776 1.00 2.26 H new ATOM 0 HZ2 LYS A 64 -3.832 -6.208 7.185 1.00 2.26 H new ATOM 0 HZ3 LYS A 64 -2.649 -5.411 8.105 1.00 2.26 H new ATOM 995 N VAL A 65 -6.300 -1.296 2.701 1.00 0.30 N ATOM 996 CA VAL A 65 -7.694 -0.831 2.962 1.00 0.32 C ATOM 997 C VAL A 65 -8.640 -2.026 3.024 1.00 0.31 C ATOM 998 O VAL A 65 -8.471 -3.003 2.323 1.00 0.36 O ATOM 999 CB VAL A 65 -8.054 0.068 1.776 1.00 0.40 C ATOM 1000 CG1 VAL A 65 -9.520 0.518 1.886 1.00 0.45 C ATOM 1001 CG2 VAL A 65 -7.143 1.298 1.776 1.00 0.70 C ATOM 0 H VAL A 65 -6.183 -1.870 1.866 1.00 0.30 H new ATOM 0 HA VAL A 65 -7.776 -0.301 3.911 1.00 0.32 H new ATOM 0 HB VAL A 65 -7.919 -0.490 0.849 1.00 0.40 H new ATOM 0 HG11 VAL A 65 -9.769 1.157 1.039 1.00 0.45 H new ATOM 0 HG12 VAL A 65 -10.170 -0.357 1.884 1.00 0.45 H new ATOM 0 HG13 VAL A 65 -9.662 1.073 2.813 1.00 0.45 H new ATOM 0 HG21 VAL A 65 -7.398 1.939 0.932 1.00 0.70 H new ATOM 0 HG22 VAL A 65 -7.278 1.851 2.706 1.00 0.70 H new ATOM 0 HG23 VAL A 65 -6.104 0.981 1.690 1.00 0.70 H new ATOM 1011 N ASP A 66 -9.643 -1.947 3.847 1.00 0.35 N ATOM 1012 CA ASP A 66 -10.609 -3.069 3.940 1.00 0.39 C ATOM 1013 C ASP A 66 -11.839 -2.754 3.092 1.00 0.40 C ATOM 1014 O ASP A 66 -12.742 -2.071 3.527 1.00 0.44 O ATOM 1015 CB ASP A 66 -10.979 -3.155 5.421 1.00 0.47 C ATOM 1016 CG ASP A 66 -10.154 -4.258 6.088 1.00 0.67 C ATOM 1017 OD1 ASP A 66 -8.990 -4.389 5.748 1.00 1.30 O ATOM 1018 OD2 ASP A 66 -10.701 -4.952 6.930 1.00 1.38 O ATOM 0 H ASP A 66 -9.835 -1.154 4.459 1.00 0.35 H new ATOM 0 HA ASP A 66 -10.197 -4.010 3.576 1.00 0.39 H new ATOM 0 HB2 ASP A 66 -10.791 -2.199 5.910 1.00 0.47 H new ATOM 0 HB3 ASP A 66 -12.043 -3.365 5.530 1.00 0.47 H new ATOM 1023 N ALA A 67 -11.880 -3.238 1.881 1.00 0.40 N ATOM 1024 CA ALA A 67 -13.057 -2.962 1.003 1.00 0.46 C ATOM 1025 C ALA A 67 -14.354 -3.276 1.752 1.00 0.51 C ATOM 1026 O ALA A 67 -15.381 -2.666 1.528 1.00 0.57 O ATOM 1027 CB ALA A 67 -12.888 -3.900 -0.191 1.00 0.51 C ATOM 0 H ALA A 67 -11.150 -3.813 1.460 1.00 0.40 H new ATOM 0 HA ALA A 67 -13.110 -1.918 0.696 1.00 0.46 H new ATOM 0 HB1 ALA A 67 -13.716 -3.758 -0.885 1.00 0.51 H new ATOM 0 HB2 ALA A 67 -11.948 -3.679 -0.697 1.00 0.51 H new ATOM 0 HB3 ALA A 67 -12.879 -4.933 0.156 1.00 0.51 H new ATOM 1033 N THR A 68 -14.306 -4.218 2.651 1.00 0.53 N ATOM 1034 CA THR A 68 -15.525 -4.572 3.431 1.00 0.62 C ATOM 1035 C THR A 68 -15.764 -3.548 4.550 1.00 0.64 C ATOM 1036 O THR A 68 -16.708 -3.656 5.307 1.00 0.86 O ATOM 1037 CB THR A 68 -15.231 -5.954 4.022 1.00 0.66 C ATOM 1038 OG1 THR A 68 -16.317 -6.354 4.846 1.00 1.29 O ATOM 1039 CG2 THR A 68 -13.949 -5.895 4.854 1.00 1.35 C ATOM 0 H THR A 68 -13.473 -4.760 2.880 1.00 0.53 H new ATOM 0 HA THR A 68 -16.421 -4.574 2.811 1.00 0.62 H new ATOM 0 HB THR A 68 -15.102 -6.675 3.215 1.00 0.66 H new ATOM 0 HG1 THR A 68 -16.814 -5.562 5.139 1.00 1.29 H new ATOM 0 HG21 THR A 68 -13.742 -6.879 5.274 1.00 1.35 H new ATOM 0 HG22 THR A 68 -13.117 -5.589 4.220 1.00 1.35 H new ATOM 0 HG23 THR A 68 -14.073 -5.175 5.663 1.00 1.35 H new ATOM 1047 N GLU A 69 -14.921 -2.552 4.660 1.00 0.57 N ATOM 1048 CA GLU A 69 -15.108 -1.530 5.724 1.00 0.61 C ATOM 1049 C GLU A 69 -15.264 -0.145 5.090 1.00 0.57 C ATOM 1050 O GLU A 69 -16.212 0.565 5.359 1.00 0.66 O ATOM 1051 CB GLU A 69 -13.835 -1.601 6.567 1.00 0.63 C ATOM 1052 CG GLU A 69 -14.020 -0.780 7.844 1.00 0.83 C ATOM 1053 CD GLU A 69 -14.728 0.534 7.505 1.00 1.50 C ATOM 1054 OE1 GLU A 69 -14.043 1.474 7.136 1.00 2.22 O ATOM 1055 OE2 GLU A 69 -15.942 0.577 7.620 1.00 2.10 O ATOM 0 H GLU A 69 -14.112 -2.406 4.056 1.00 0.57 H new ATOM 0 HA GLU A 69 -15.999 -1.708 6.325 1.00 0.61 H new ATOM 0 HB2 GLU A 69 -13.610 -2.638 6.818 1.00 0.63 H new ATOM 0 HB3 GLU A 69 -12.987 -1.220 5.997 1.00 0.63 H new ATOM 0 HG2 GLU A 69 -14.605 -1.344 8.571 1.00 0.83 H new ATOM 0 HG3 GLU A 69 -13.052 -0.577 8.302 1.00 0.83 H new ATOM 1062 N GLU A 70 -14.345 0.244 4.244 1.00 0.52 N ATOM 1063 CA GLU A 70 -14.460 1.583 3.599 1.00 0.57 C ATOM 1064 C GLU A 70 -14.455 1.439 2.072 1.00 0.72 C ATOM 1065 O GLU A 70 -13.727 2.119 1.377 1.00 1.34 O ATOM 1066 CB GLU A 70 -13.237 2.365 4.085 1.00 0.71 C ATOM 1067 CG GLU A 70 -11.954 1.717 3.559 1.00 1.05 C ATOM 1068 CD GLU A 70 -11.202 1.066 4.723 1.00 1.37 C ATOM 1069 OE1 GLU A 70 -11.857 0.618 5.649 1.00 1.89 O ATOM 1070 OE2 GLU A 70 -9.983 1.029 4.670 1.00 1.97 O ATOM 0 H GLU A 70 -13.527 -0.303 3.975 1.00 0.52 H new ATOM 0 HA GLU A 70 -15.389 2.091 3.858 1.00 0.57 H new ATOM 0 HB2 GLU A 70 -13.298 3.398 3.744 1.00 0.71 H new ATOM 0 HB3 GLU A 70 -13.221 2.389 5.175 1.00 0.71 H new ATOM 0 HG2 GLU A 70 -12.194 0.970 2.803 1.00 1.05 H new ATOM 0 HG3 GLU A 70 -11.325 2.466 3.078 1.00 1.05 H new ATOM 1077 N SER A 71 -15.266 0.557 1.549 1.00 0.55 N ATOM 1078 CA SER A 71 -15.317 0.362 0.068 1.00 0.66 C ATOM 1079 C SER A 71 -15.461 1.709 -0.643 1.00 0.70 C ATOM 1080 O SER A 71 -15.060 1.867 -1.779 1.00 0.94 O ATOM 1081 CB SER A 71 -16.552 -0.505 -0.181 1.00 0.79 C ATOM 1082 OG SER A 71 -17.548 -0.201 0.789 1.00 1.48 O ATOM 0 H SER A 71 -15.897 -0.039 2.085 1.00 0.55 H new ATOM 0 HA SER A 71 -14.408 -0.103 -0.313 1.00 0.66 H new ATOM 0 HB2 SER A 71 -16.939 -0.326 -1.184 1.00 0.79 H new ATOM 0 HB3 SER A 71 -16.286 -1.561 -0.126 1.00 0.79 H new ATOM 0 HG SER A 71 -18.340 -0.755 0.629 1.00 1.48 H new ATOM 1088 N ASP A 72 -16.027 2.683 0.018 1.00 0.67 N ATOM 1089 CA ASP A 72 -16.192 4.023 -0.621 1.00 0.71 C ATOM 1090 C ASP A 72 -14.858 4.494 -1.199 1.00 0.68 C ATOM 1091 O ASP A 72 -14.810 5.220 -2.173 1.00 0.77 O ATOM 1092 CB ASP A 72 -16.646 4.946 0.508 1.00 0.78 C ATOM 1093 CG ASP A 72 -15.420 5.574 1.174 1.00 1.08 C ATOM 1094 OD1 ASP A 72 -14.480 5.890 0.462 1.00 1.57 O ATOM 1095 OD2 ASP A 72 -15.440 5.728 2.383 1.00 1.83 O ATOM 0 H ASP A 72 -16.382 2.610 0.971 1.00 0.67 H new ATOM 0 HA ASP A 72 -16.907 4.007 -1.443 1.00 0.71 H new ATOM 0 HB2 ASP A 72 -17.299 5.725 0.115 1.00 0.78 H new ATOM 0 HB3 ASP A 72 -17.225 4.384 1.241 1.00 0.78 H new ATOM 1100 N LEU A 73 -13.773 4.073 -0.612 1.00 0.63 N ATOM 1101 CA LEU A 73 -12.438 4.479 -1.130 1.00 0.68 C ATOM 1102 C LEU A 73 -12.127 3.692 -2.402 1.00 0.60 C ATOM 1103 O LEU A 73 -11.591 4.218 -3.358 1.00 0.64 O ATOM 1104 CB LEU A 73 -11.457 4.119 -0.015 1.00 0.83 C ATOM 1105 CG LEU A 73 -10.166 4.919 -0.187 1.00 0.79 C ATOM 1106 CD1 LEU A 73 -10.473 6.414 -0.093 1.00 0.97 C ATOM 1107 CD2 LEU A 73 -9.181 4.529 0.917 1.00 1.22 C ATOM 0 H LEU A 73 -13.754 3.464 0.206 1.00 0.63 H new ATOM 0 HA LEU A 73 -12.385 5.538 -1.384 1.00 0.68 H new ATOM 0 HB2 LEU A 73 -11.902 4.333 0.957 1.00 0.83 H new ATOM 0 HB3 LEU A 73 -11.240 3.051 -0.039 1.00 0.83 H new ATOM 0 HG LEU A 73 -9.729 4.702 -1.162 1.00 0.79 H new ATOM 0 HD11 LEU A 73 -9.552 6.983 -0.216 1.00 0.97 H new ATOM 0 HD12 LEU A 73 -11.178 6.691 -0.877 1.00 0.97 H new ATOM 0 HD13 LEU A 73 -10.909 6.635 0.881 1.00 0.97 H new ATOM 0 HD21 LEU A 73 -8.258 5.097 0.799 1.00 1.22 H new ATOM 0 HD22 LEU A 73 -9.620 4.748 1.890 1.00 1.22 H new ATOM 0 HD23 LEU A 73 -8.962 3.463 0.850 1.00 1.22 H new ATOM 1119 N ALA A 74 -12.476 2.439 -2.423 1.00 0.57 N ATOM 1120 CA ALA A 74 -12.225 1.613 -3.635 1.00 0.56 C ATOM 1121 C ALA A 74 -13.242 1.981 -4.714 1.00 0.59 C ATOM 1122 O ALA A 74 -12.958 1.940 -5.894 1.00 0.65 O ATOM 1123 CB ALA A 74 -12.417 0.166 -3.180 1.00 0.60 C ATOM 0 H ALA A 74 -12.926 1.948 -1.650 1.00 0.57 H new ATOM 0 HA ALA A 74 -11.231 1.769 -4.055 1.00 0.56 H new ATOM 0 HB1 ALA A 74 -12.248 -0.506 -4.022 1.00 0.60 H new ATOM 0 HB2 ALA A 74 -11.707 -0.063 -2.385 1.00 0.60 H new ATOM 0 HB3 ALA A 74 -13.433 0.033 -2.808 1.00 0.60 H new ATOM 1129 N GLN A 75 -14.427 2.350 -4.309 1.00 0.64 N ATOM 1130 CA GLN A 75 -15.465 2.736 -5.304 1.00 0.76 C ATOM 1131 C GLN A 75 -15.088 4.072 -5.946 1.00 0.78 C ATOM 1132 O GLN A 75 -15.419 4.341 -7.083 1.00 0.86 O ATOM 1133 CB GLN A 75 -16.758 2.870 -4.498 1.00 0.87 C ATOM 1134 CG GLN A 75 -17.957 2.836 -5.448 1.00 1.42 C ATOM 1135 CD GLN A 75 -19.144 2.170 -4.750 1.00 1.83 C ATOM 1136 OE1 GLN A 75 -19.063 1.823 -3.589 1.00 2.35 O ATOM 1137 NE2 GLN A 75 -20.250 1.975 -5.414 1.00 2.40 N ATOM 0 H GLN A 75 -14.720 2.400 -3.333 1.00 0.64 H new ATOM 0 HA GLN A 75 -15.567 2.008 -6.109 1.00 0.76 H new ATOM 0 HB2 GLN A 75 -16.832 2.060 -3.772 1.00 0.87 H new ATOM 0 HB3 GLN A 75 -16.753 3.803 -3.935 1.00 0.87 H new ATOM 0 HG2 GLN A 75 -18.222 3.849 -5.752 1.00 1.42 H new ATOM 0 HG3 GLN A 75 -17.701 2.288 -6.355 1.00 1.42 H new ATOM 0 HE21 GLN A 75 -20.318 2.267 -6.389 1.00 2.40 H new ATOM 0 HE22 GLN A 75 -21.047 1.531 -4.958 1.00 2.40 H new ATOM 1146 N GLN A 76 -14.387 4.908 -5.227 1.00 0.76 N ATOM 1147 CA GLN A 76 -13.978 6.221 -5.801 1.00 0.84 C ATOM 1148 C GLN A 76 -13.020 5.993 -6.969 1.00 0.83 C ATOM 1149 O GLN A 76 -13.069 6.677 -7.972 1.00 0.94 O ATOM 1150 CB GLN A 76 -13.267 6.949 -4.661 1.00 0.89 C ATOM 1151 CG GLN A 76 -14.245 7.901 -3.974 1.00 1.14 C ATOM 1152 CD GLN A 76 -14.203 9.262 -4.670 1.00 1.49 C ATOM 1153 OE1 GLN A 76 -13.306 10.049 -4.440 1.00 2.20 O ATOM 1154 NE2 GLN A 76 -15.142 9.575 -5.521 1.00 1.97 N ATOM 0 H GLN A 76 -14.081 4.738 -4.269 1.00 0.76 H new ATOM 0 HA GLN A 76 -14.824 6.794 -6.180 1.00 0.84 H new ATOM 0 HB2 GLN A 76 -12.879 6.228 -3.941 1.00 0.89 H new ATOM 0 HB3 GLN A 76 -12.413 7.505 -5.047 1.00 0.89 H new ATOM 0 HG2 GLN A 76 -15.255 7.492 -4.012 1.00 1.14 H new ATOM 0 HG3 GLN A 76 -13.984 8.010 -2.921 1.00 1.14 H new ATOM 0 HE21 GLN A 76 -15.895 8.915 -5.715 1.00 1.97 H new ATOM 0 HE22 GLN A 76 -15.122 10.479 -5.992 1.00 1.97 H new ATOM 1163 N TYR A 77 -12.151 5.032 -6.841 1.00 0.74 N ATOM 1164 CA TYR A 77 -11.185 4.745 -7.939 1.00 0.81 C ATOM 1165 C TYR A 77 -11.745 3.667 -8.872 1.00 0.83 C ATOM 1166 O TYR A 77 -11.271 3.484 -9.975 1.00 1.00 O ATOM 1167 CB TYR A 77 -9.927 4.241 -7.232 1.00 0.80 C ATOM 1168 CG TYR A 77 -9.196 5.407 -6.614 1.00 0.81 C ATOM 1169 CD1 TYR A 77 -9.699 6.017 -5.458 1.00 1.18 C ATOM 1170 CD2 TYR A 77 -8.013 5.879 -7.197 1.00 1.42 C ATOM 1171 CE1 TYR A 77 -9.019 7.098 -4.885 1.00 1.19 C ATOM 1172 CE2 TYR A 77 -7.334 6.961 -6.623 1.00 1.56 C ATOM 1173 CZ TYR A 77 -7.839 7.573 -5.468 1.00 1.05 C ATOM 1174 OH TYR A 77 -7.167 8.636 -4.902 1.00 1.22 O ATOM 0 H TYR A 77 -12.067 4.430 -6.022 1.00 0.74 H new ATOM 0 HA TYR A 77 -10.986 5.622 -8.555 1.00 0.81 H new ATOM 0 HB2 TYR A 77 -10.195 3.517 -6.463 1.00 0.80 H new ATOM 0 HB3 TYR A 77 -9.279 3.727 -7.942 1.00 0.80 H new ATOM 0 HD1 TYR A 77 -10.611 5.653 -5.009 1.00 1.18 H new ATOM 0 HD2 TYR A 77 -7.625 5.409 -8.088 1.00 1.42 H new ATOM 0 HE1 TYR A 77 -9.406 7.566 -3.992 1.00 1.19 H new ATOM 0 HE2 TYR A 77 -6.421 7.324 -7.071 1.00 1.56 H new ATOM 0 HH TYR A 77 -6.647 8.322 -4.133 1.00 1.22 H new ATOM 1184 N GLY A 78 -12.750 2.949 -8.442 1.00 0.78 N ATOM 1185 CA GLY A 78 -13.328 1.886 -9.310 1.00 0.87 C ATOM 1186 C GLY A 78 -12.357 0.707 -9.379 1.00 0.88 C ATOM 1187 O GLY A 78 -11.965 0.275 -10.445 1.00 1.52 O ATOM 0 H GLY A 78 -13.193 3.054 -7.529 1.00 0.78 H new ATOM 0 HA2 GLY A 78 -14.289 1.558 -8.913 1.00 0.87 H new ATOM 0 HA3 GLY A 78 -13.514 2.278 -10.310 1.00 0.87 H new ATOM 1191 N VAL A 79 -11.963 0.185 -8.250 1.00 0.80 N ATOM 1192 CA VAL A 79 -11.014 -0.965 -8.252 1.00 0.79 C ATOM 1193 C VAL A 79 -11.547 -2.092 -9.140 1.00 1.13 C ATOM 1194 O VAL A 79 -12.710 -2.124 -9.489 1.00 1.54 O ATOM 1195 CB VAL A 79 -10.936 -1.420 -6.793 1.00 0.76 C ATOM 1196 CG1 VAL A 79 -10.423 -0.269 -5.926 1.00 0.72 C ATOM 1197 CG2 VAL A 79 -12.328 -1.840 -6.310 1.00 1.30 C ATOM 0 H VAL A 79 -12.257 0.504 -7.327 1.00 0.80 H new ATOM 0 HA VAL A 79 -10.035 -0.690 -8.645 1.00 0.79 H new ATOM 0 HB VAL A 79 -10.254 -2.267 -6.715 1.00 0.76 H new ATOM 0 HG11 VAL A 79 -10.367 -0.593 -4.887 1.00 0.72 H new ATOM 0 HG12 VAL A 79 -9.431 0.029 -6.267 1.00 0.72 H new ATOM 0 HG13 VAL A 79 -11.104 0.578 -6.006 1.00 0.72 H new ATOM 0 HG21 VAL A 79 -12.270 -2.164 -5.271 1.00 1.30 H new ATOM 0 HG22 VAL A 79 -13.011 -0.994 -6.389 1.00 1.30 H new ATOM 0 HG23 VAL A 79 -12.694 -2.661 -6.926 1.00 1.30 H new ATOM 1207 N ARG A 80 -10.704 -3.019 -9.506 1.00 1.27 N ATOM 1208 CA ARG A 80 -11.161 -4.146 -10.370 1.00 1.72 C ATOM 1209 C ARG A 80 -10.934 -5.480 -9.653 1.00 1.38 C ATOM 1210 O ARG A 80 -10.273 -6.363 -10.160 1.00 1.87 O ATOM 1211 CB ARG A 80 -10.296 -4.059 -11.627 1.00 2.38 C ATOM 1212 CG ARG A 80 -10.593 -2.751 -12.362 1.00 2.85 C ATOM 1213 CD ARG A 80 -11.417 -3.046 -13.618 1.00 3.49 C ATOM 1214 NE ARG A 80 -12.809 -2.654 -13.262 1.00 4.06 N ATOM 1215 CZ ARG A 80 -13.813 -3.400 -13.634 1.00 4.70 C ATOM 1216 NH1 ARG A 80 -13.847 -4.660 -13.298 1.00 5.25 N ATOM 1217 NH2 ARG A 80 -14.782 -2.885 -14.342 1.00 5.09 N ATOM 0 H ARG A 80 -9.718 -3.045 -9.244 1.00 1.27 H new ATOM 0 HA ARG A 80 -12.224 -4.085 -10.604 1.00 1.72 H new ATOM 0 HB2 ARG A 80 -9.241 -4.106 -11.359 1.00 2.38 H new ATOM 0 HB3 ARG A 80 -10.497 -4.909 -12.279 1.00 2.38 H new ATOM 0 HG2 ARG A 80 -11.138 -2.070 -11.708 1.00 2.85 H new ATOM 0 HG3 ARG A 80 -9.661 -2.255 -12.634 1.00 2.85 H new ATOM 0 HD2 ARG A 80 -11.052 -2.477 -14.473 1.00 3.49 H new ATOM 0 HD3 ARG A 80 -11.360 -4.100 -13.890 1.00 3.49 H new ATOM 0 HE ARG A 80 -12.978 -1.802 -12.727 1.00 4.06 H new ATOM 0 HH11 ARG A 80 -13.089 -5.061 -12.745 1.00 5.25 H new ATOM 0 HH12 ARG A 80 -14.631 -5.244 -13.588 1.00 5.25 H new ATOM 0 HH21 ARG A 80 -14.754 -1.900 -14.604 1.00 5.09 H new ATOM 0 HH22 ARG A 80 -15.567 -3.468 -14.633 1.00 5.09 H new ATOM 1231 N GLY A 81 -11.478 -5.630 -8.477 1.00 0.87 N ATOM 1232 CA GLY A 81 -11.290 -6.903 -7.728 1.00 0.81 C ATOM 1233 C GLY A 81 -10.126 -6.747 -6.749 1.00 0.74 C ATOM 1234 O GLY A 81 -9.374 -5.795 -6.811 1.00 1.17 O ATOM 0 H GLY A 81 -12.044 -4.926 -8.003 1.00 0.87 H new ATOM 0 HA2 GLY A 81 -12.202 -7.159 -7.189 1.00 0.81 H new ATOM 0 HA3 GLY A 81 -11.090 -7.720 -8.421 1.00 0.81 H new ATOM 1238 N TYR A 82 -9.972 -7.672 -5.843 1.00 0.61 N ATOM 1239 CA TYR A 82 -8.855 -7.570 -4.859 1.00 0.52 C ATOM 1240 C TYR A 82 -7.883 -8.748 -5.031 1.00 0.54 C ATOM 1241 O TYR A 82 -8.245 -9.756 -5.605 1.00 0.61 O ATOM 1242 CB TYR A 82 -9.529 -7.631 -3.486 1.00 0.59 C ATOM 1243 CG TYR A 82 -10.513 -6.490 -3.333 1.00 0.61 C ATOM 1244 CD1 TYR A 82 -10.224 -5.223 -3.864 1.00 0.64 C ATOM 1245 CD2 TYR A 82 -11.720 -6.703 -2.656 1.00 0.97 C ATOM 1246 CE1 TYR A 82 -11.141 -4.176 -3.717 1.00 0.68 C ATOM 1247 CE2 TYR A 82 -12.636 -5.654 -2.510 1.00 1.04 C ATOM 1248 CZ TYR A 82 -12.347 -4.392 -3.041 1.00 0.75 C ATOM 1249 OH TYR A 82 -13.251 -3.360 -2.896 1.00 0.85 O ATOM 0 H TYR A 82 -10.569 -8.493 -5.740 1.00 0.61 H new ATOM 0 HA TYR A 82 -8.274 -6.657 -4.990 1.00 0.52 H new ATOM 0 HB2 TYR A 82 -10.045 -8.584 -3.369 1.00 0.59 H new ATOM 0 HB3 TYR A 82 -8.775 -7.578 -2.700 1.00 0.59 H new ATOM 0 HD1 TYR A 82 -9.294 -5.056 -4.386 1.00 0.64 H new ATOM 0 HD2 TYR A 82 -11.945 -7.677 -2.246 1.00 0.97 H new ATOM 0 HE1 TYR A 82 -10.918 -3.201 -4.125 1.00 0.68 H new ATOM 0 HE2 TYR A 82 -13.566 -5.819 -1.987 1.00 1.04 H new ATOM 0 HH TYR A 82 -14.140 -3.662 -3.177 1.00 0.85 H new ATOM 1259 N PRO A 83 -6.667 -8.596 -4.534 1.00 0.54 N ATOM 1260 CA PRO A 83 -6.232 -7.358 -3.834 1.00 0.51 C ATOM 1261 C PRO A 83 -5.707 -6.327 -4.838 1.00 0.51 C ATOM 1262 O PRO A 83 -4.939 -6.647 -5.723 1.00 0.63 O ATOM 1263 CB PRO A 83 -5.105 -7.844 -2.933 1.00 0.59 C ATOM 1264 CG PRO A 83 -4.561 -9.081 -3.592 1.00 0.66 C ATOM 1265 CD PRO A 83 -5.589 -9.586 -4.581 1.00 0.64 C ATOM 0 HA PRO A 83 -7.039 -6.869 -3.288 1.00 0.51 H new ATOM 0 HB2 PRO A 83 -4.331 -7.083 -2.829 1.00 0.59 H new ATOM 0 HB3 PRO A 83 -5.472 -8.064 -1.931 1.00 0.59 H new ATOM 0 HG2 PRO A 83 -3.623 -8.859 -4.100 1.00 0.66 H new ATOM 0 HG3 PRO A 83 -4.346 -9.845 -2.845 1.00 0.66 H new ATOM 0 HD2 PRO A 83 -5.168 -9.666 -5.583 1.00 0.64 H new ATOM 0 HD3 PRO A 83 -5.949 -10.577 -4.306 1.00 0.64 H new ATOM 1273 N THR A 84 -6.105 -5.090 -4.706 1.00 0.45 N ATOM 1274 CA THR A 84 -5.612 -4.049 -5.655 1.00 0.45 C ATOM 1275 C THR A 84 -4.498 -3.230 -4.995 1.00 0.43 C ATOM 1276 O THR A 84 -4.751 -2.357 -4.188 1.00 0.52 O ATOM 1277 CB THR A 84 -6.822 -3.161 -5.964 1.00 0.48 C ATOM 1278 OG1 THR A 84 -8.023 -3.903 -5.793 1.00 0.67 O ATOM 1279 CG2 THR A 84 -6.732 -2.664 -7.408 1.00 0.56 C ATOM 0 H THR A 84 -6.746 -4.756 -3.987 1.00 0.45 H new ATOM 0 HA THR A 84 -5.199 -4.487 -6.564 1.00 0.45 H new ATOM 0 HB THR A 84 -6.826 -2.310 -5.282 1.00 0.48 H new ATOM 0 HG1 THR A 84 -8.058 -4.626 -6.453 1.00 0.67 H new ATOM 0 HG21 THR A 84 -7.592 -2.032 -7.630 1.00 0.56 H new ATOM 0 HG22 THR A 84 -5.816 -2.088 -7.538 1.00 0.56 H new ATOM 0 HG23 THR A 84 -6.724 -3.517 -8.087 1.00 0.56 H new ATOM 1287 N ILE A 85 -3.266 -3.508 -5.329 1.00 0.41 N ATOM 1288 CA ILE A 85 -2.137 -2.749 -4.717 1.00 0.41 C ATOM 1289 C ILE A 85 -1.702 -1.606 -5.639 1.00 0.41 C ATOM 1290 O ILE A 85 -1.524 -1.788 -6.826 1.00 0.54 O ATOM 1291 CB ILE A 85 -1.007 -3.770 -4.565 1.00 0.50 C ATOM 1292 CG1 ILE A 85 -1.462 -4.904 -3.643 1.00 0.89 C ATOM 1293 CG2 ILE A 85 0.225 -3.088 -3.962 1.00 0.80 C ATOM 1294 CD1 ILE A 85 -2.169 -5.981 -4.469 1.00 1.27 C ATOM 0 H ILE A 85 -2.993 -4.227 -5.999 1.00 0.41 H new ATOM 0 HA ILE A 85 -2.414 -2.300 -3.763 1.00 0.41 H new ATOM 0 HB ILE A 85 -0.754 -4.176 -5.545 1.00 0.50 H new ATOM 0 HG12 ILE A 85 -0.604 -5.333 -3.125 1.00 0.89 H new ATOM 0 HG13 ILE A 85 -2.135 -4.517 -2.878 1.00 0.89 H new ATOM 0 HG21 ILE A 85 1.028 -3.817 -3.855 1.00 0.80 H new ATOM 0 HG22 ILE A 85 0.552 -2.281 -4.618 1.00 0.80 H new ATOM 0 HG23 ILE A 85 -0.028 -2.680 -2.983 1.00 0.80 H new ATOM 0 HD11 ILE A 85 -2.493 -6.789 -3.813 1.00 1.27 H new ATOM 0 HD12 ILE A 85 -3.037 -5.547 -4.966 1.00 1.27 H new ATOM 0 HD13 ILE A 85 -1.482 -6.375 -5.217 1.00 1.27 H new ATOM 1306 N LYS A 86 -1.525 -0.430 -5.100 1.00 0.37 N ATOM 1307 CA LYS A 86 -1.098 0.719 -5.949 1.00 0.40 C ATOM 1308 C LYS A 86 -0.032 1.546 -5.226 1.00 0.38 C ATOM 1309 O LYS A 86 0.196 1.390 -4.041 1.00 0.49 O ATOM 1310 CB LYS A 86 -2.359 1.557 -6.165 1.00 0.48 C ATOM 1311 CG LYS A 86 -3.483 0.674 -6.709 1.00 0.94 C ATOM 1312 CD LYS A 86 -4.591 1.557 -7.288 1.00 1.03 C ATOM 1313 CE LYS A 86 -5.402 2.171 -6.147 1.00 1.37 C ATOM 1314 NZ LYS A 86 -6.732 2.473 -6.749 1.00 1.73 N ATOM 0 H LYS A 86 -1.657 -0.216 -4.112 1.00 0.37 H new ATOM 0 HA LYS A 86 -0.664 0.386 -6.892 1.00 0.40 H new ATOM 0 HB2 LYS A 86 -2.667 2.015 -5.225 1.00 0.48 H new ATOM 0 HB3 LYS A 86 -2.152 2.368 -6.863 1.00 0.48 H new ATOM 0 HG2 LYS A 86 -3.095 0.007 -7.479 1.00 0.94 H new ATOM 0 HG3 LYS A 86 -3.883 0.045 -5.914 1.00 0.94 H new ATOM 0 HD2 LYS A 86 -4.158 2.344 -7.905 1.00 1.03 H new ATOM 0 HD3 LYS A 86 -5.241 0.967 -7.934 1.00 1.03 H new ATOM 0 HE2 LYS A 86 -5.494 1.479 -5.310 1.00 1.37 H new ATOM 0 HE3 LYS A 86 -4.926 3.074 -5.764 1.00 1.37 H new ATOM 0 HZ1 LYS A 86 -7.350 2.898 -6.029 1.00 1.73 H new ATOM 0 HZ2 LYS A 86 -6.612 3.138 -7.539 1.00 1.73 H new ATOM 0 HZ3 LYS A 86 -7.162 1.593 -7.099 1.00 1.73 H new ATOM 1328 N PHE A 87 0.617 2.427 -5.933 1.00 0.37 N ATOM 1329 CA PHE A 87 1.668 3.274 -5.299 1.00 0.36 C ATOM 1330 C PHE A 87 1.298 4.755 -5.438 1.00 0.33 C ATOM 1331 O PHE A 87 0.970 5.225 -6.509 1.00 0.37 O ATOM 1332 CB PHE A 87 2.952 2.953 -6.075 1.00 0.42 C ATOM 1333 CG PHE A 87 4.052 3.910 -5.670 1.00 0.46 C ATOM 1334 CD1 PHE A 87 4.479 3.965 -4.338 1.00 0.44 C ATOM 1335 CD2 PHE A 87 4.640 4.742 -6.630 1.00 0.81 C ATOM 1336 CE1 PHE A 87 5.495 4.854 -3.966 1.00 0.46 C ATOM 1337 CE2 PHE A 87 5.656 5.630 -6.257 1.00 0.97 C ATOM 1338 CZ PHE A 87 6.083 5.686 -4.926 1.00 0.72 C ATOM 0 H PHE A 87 0.465 2.599 -6.927 1.00 0.37 H new ATOM 0 HA PHE A 87 1.782 3.077 -4.233 1.00 0.36 H new ATOM 0 HB2 PHE A 87 3.260 1.926 -5.877 1.00 0.42 H new ATOM 0 HB3 PHE A 87 2.768 3.029 -7.147 1.00 0.42 H new ATOM 0 HD1 PHE A 87 4.025 3.322 -3.598 1.00 0.44 H new ATOM 0 HD2 PHE A 87 4.310 4.699 -7.657 1.00 0.81 H new ATOM 0 HE1 PHE A 87 5.825 4.898 -2.939 1.00 0.46 H new ATOM 0 HE2 PHE A 87 6.110 6.272 -6.997 1.00 0.97 H new ATOM 0 HZ PHE A 87 6.867 6.371 -4.639 1.00 0.72 H new ATOM 1348 N PHE A 88 1.342 5.490 -4.362 1.00 0.33 N ATOM 1349 CA PHE A 88 0.988 6.932 -4.436 1.00 0.35 C ATOM 1350 C PHE A 88 2.176 7.801 -4.006 1.00 0.42 C ATOM 1351 O PHE A 88 3.113 7.329 -3.394 1.00 0.61 O ATOM 1352 CB PHE A 88 -0.188 7.081 -3.476 1.00 0.39 C ATOM 1353 CG PHE A 88 -1.449 6.650 -4.186 1.00 0.42 C ATOM 1354 CD1 PHE A 88 -1.788 5.294 -4.240 1.00 0.63 C ATOM 1355 CD2 PHE A 88 -2.269 7.603 -4.803 1.00 0.54 C ATOM 1356 CE1 PHE A 88 -2.948 4.889 -4.909 1.00 0.73 C ATOM 1357 CE2 PHE A 88 -3.431 7.199 -5.471 1.00 0.62 C ATOM 1358 CZ PHE A 88 -3.770 5.840 -5.524 1.00 0.62 C ATOM 0 H PHE A 88 1.608 5.154 -3.436 1.00 0.33 H new ATOM 0 HA PHE A 88 0.733 7.254 -5.446 1.00 0.35 H new ATOM 0 HB2 PHE A 88 -0.029 6.473 -2.586 1.00 0.39 H new ATOM 0 HB3 PHE A 88 -0.276 8.115 -3.144 1.00 0.39 H new ATOM 0 HD1 PHE A 88 -1.154 4.560 -3.765 1.00 0.63 H new ATOM 0 HD2 PHE A 88 -2.005 8.649 -4.763 1.00 0.54 H new ATOM 0 HE1 PHE A 88 -3.209 3.842 -4.951 1.00 0.73 H new ATOM 0 HE2 PHE A 88 -4.065 7.933 -5.945 1.00 0.62 H new ATOM 0 HZ PHE A 88 -4.666 5.527 -6.040 1.00 0.62 H new ATOM 1368 N ARG A 89 2.148 9.066 -4.337 1.00 0.47 N ATOM 1369 CA ARG A 89 3.281 9.964 -3.966 1.00 0.55 C ATOM 1370 C ARG A 89 2.813 11.083 -3.034 1.00 0.64 C ATOM 1371 O ARG A 89 1.686 11.108 -2.581 1.00 1.05 O ATOM 1372 CB ARG A 89 3.767 10.546 -5.294 1.00 0.73 C ATOM 1373 CG ARG A 89 5.282 10.750 -5.238 1.00 1.15 C ATOM 1374 CD ARG A 89 5.613 12.213 -5.543 1.00 1.42 C ATOM 1375 NE ARG A 89 7.084 12.236 -5.774 1.00 1.73 N ATOM 1376 CZ ARG A 89 7.559 12.660 -6.915 1.00 2.07 C ATOM 1377 NH1 ARG A 89 7.711 11.828 -7.908 1.00 2.56 N ATOM 1378 NH2 ARG A 89 7.883 13.916 -7.061 1.00 2.43 N ATOM 0 H ARG A 89 1.389 9.516 -4.849 1.00 0.47 H new ATOM 0 HA ARG A 89 4.066 9.428 -3.433 1.00 0.55 H new ATOM 0 HB2 ARG A 89 3.510 9.875 -6.113 1.00 0.73 H new ATOM 0 HB3 ARG A 89 3.269 11.495 -5.491 1.00 0.73 H new ATOM 0 HG2 ARG A 89 5.660 10.479 -4.252 1.00 1.15 H new ATOM 0 HG3 ARG A 89 5.774 10.097 -5.959 1.00 1.15 H new ATOM 0 HD2 ARG A 89 5.070 12.566 -6.420 1.00 1.42 H new ATOM 0 HD3 ARG A 89 5.334 12.862 -4.713 1.00 1.42 H new ATOM 0 HE ARG A 89 7.720 11.921 -5.042 1.00 1.73 H new ATOM 0 HH11 ARG A 89 7.459 10.846 -7.794 1.00 2.56 H new ATOM 0 HH12 ARG A 89 8.082 12.159 -8.799 1.00 2.56 H new ATOM 0 HH21 ARG A 89 7.765 14.567 -6.284 1.00 2.43 H new ATOM 0 HH22 ARG A 89 8.254 14.247 -7.952 1.00 2.43 H new ATOM 1392 N ASN A 90 3.687 12.005 -2.748 1.00 0.57 N ATOM 1393 CA ASN A 90 3.343 13.145 -1.843 1.00 0.68 C ATOM 1394 C ASN A 90 2.320 14.079 -2.496 1.00 0.69 C ATOM 1395 O ASN A 90 2.562 15.257 -2.662 1.00 0.98 O ATOM 1396 CB ASN A 90 4.662 13.888 -1.633 1.00 0.87 C ATOM 1397 CG ASN A 90 4.777 14.321 -0.170 1.00 1.10 C ATOM 1398 OD1 ASN A 90 4.668 13.509 0.728 1.00 1.65 O ATOM 1399 ND2 ASN A 90 4.992 15.577 0.109 1.00 1.74 N ATOM 0 H ASN A 90 4.642 12.021 -3.107 1.00 0.57 H new ATOM 0 HA ASN A 90 2.900 12.797 -0.910 1.00 0.68 H new ATOM 0 HB2 ASN A 90 5.500 13.245 -1.900 1.00 0.87 H new ATOM 0 HB3 ASN A 90 4.709 14.760 -2.286 1.00 0.87 H new ATOM 0 HD21 ASN A 90 5.069 15.878 1.081 1.00 1.74 H new ATOM 0 HD22 ASN A 90 5.083 16.258 -0.644 1.00 1.74 H new ATOM 1406 N GLY A 91 1.180 13.568 -2.862 1.00 0.65 N ATOM 1407 CA GLY A 91 0.147 14.436 -3.496 1.00 0.75 C ATOM 1408 C GLY A 91 -1.247 13.887 -3.190 1.00 0.79 C ATOM 1409 O GLY A 91 -1.750 14.022 -2.092 1.00 1.19 O ATOM 0 H GLY A 91 0.917 12.589 -2.751 1.00 0.65 H new ATOM 0 HA2 GLY A 91 0.237 15.456 -3.123 1.00 0.75 H new ATOM 0 HA3 GLY A 91 0.304 14.476 -4.574 1.00 0.75 H new ATOM 1413 N ASP A 92 -1.874 13.267 -4.152 1.00 0.90 N ATOM 1414 CA ASP A 92 -3.237 12.707 -3.921 1.00 1.27 C ATOM 1415 C ASP A 92 -3.704 11.931 -5.156 1.00 1.14 C ATOM 1416 O ASP A 92 -4.015 10.759 -5.084 1.00 1.70 O ATOM 1417 CB ASP A 92 -4.135 13.922 -3.684 1.00 1.93 C ATOM 1418 CG ASP A 92 -3.353 15.201 -3.988 1.00 2.15 C ATOM 1419 OD1 ASP A 92 -2.572 15.609 -3.145 1.00 2.68 O ATOM 1420 OD2 ASP A 92 -3.547 15.748 -5.061 1.00 2.41 O ATOM 0 H ASP A 92 -1.501 13.124 -5.090 1.00 0.90 H new ATOM 0 HA ASP A 92 -3.260 12.015 -3.079 1.00 1.27 H new ATOM 0 HB2 ASP A 92 -5.019 13.864 -4.319 1.00 1.93 H new ATOM 0 HB3 ASP A 92 -4.485 13.933 -2.652 1.00 1.93 H new ATOM 1425 N THR A 93 -3.752 12.579 -6.287 1.00 0.96 N ATOM 1426 CA THR A 93 -4.197 11.883 -7.528 1.00 1.33 C ATOM 1427 C THR A 93 -3.553 12.529 -8.758 1.00 1.26 C ATOM 1428 O THR A 93 -4.160 13.331 -9.441 1.00 1.90 O ATOM 1429 CB THR A 93 -5.715 12.068 -7.562 1.00 1.74 C ATOM 1430 OG1 THR A 93 -6.038 13.392 -7.162 1.00 2.10 O ATOM 1431 CG2 THR A 93 -6.374 11.069 -6.609 1.00 1.92 C ATOM 0 H THR A 93 -3.502 13.561 -6.406 1.00 0.96 H new ATOM 0 HA THR A 93 -3.912 10.831 -7.535 1.00 1.33 H new ATOM 0 HB THR A 93 -6.080 11.895 -8.574 1.00 1.74 H new ATOM 0 HG1 THR A 93 -5.562 14.031 -7.732 1.00 2.10 H new ATOM 0 HG21 THR A 93 -7.456 11.202 -6.634 1.00 1.92 H new ATOM 0 HG22 THR A 93 -6.126 10.054 -6.918 1.00 1.92 H new ATOM 0 HG23 THR A 93 -6.011 11.239 -5.595 1.00 1.92 H new ATOM 1439 N ALA A 94 -2.327 12.187 -9.044 1.00 1.18 N ATOM 1440 CA ALA A 94 -1.644 12.781 -10.228 1.00 1.18 C ATOM 1441 C ALA A 94 -1.307 11.690 -11.246 1.00 1.14 C ATOM 1442 O ALA A 94 -1.859 11.640 -12.327 1.00 1.48 O ATOM 1443 CB ALA A 94 -0.365 13.407 -9.671 1.00 1.24 C ATOM 0 H ALA A 94 -1.768 11.522 -8.509 1.00 1.18 H new ATOM 0 HA ALA A 94 -2.267 13.513 -10.742 1.00 1.18 H new ATOM 0 HB1 ALA A 94 0.198 13.868 -10.483 1.00 1.24 H new ATOM 0 HB2 ALA A 94 -0.623 14.166 -8.932 1.00 1.24 H new ATOM 0 HB3 ALA A 94 0.243 12.634 -9.201 1.00 1.24 H new ATOM 1449 N SER A 95 -0.402 10.818 -10.905 1.00 1.20 N ATOM 1450 CA SER A 95 -0.022 9.726 -11.846 1.00 1.22 C ATOM 1451 C SER A 95 0.705 8.607 -11.089 1.00 0.98 C ATOM 1452 O SER A 95 1.883 8.390 -11.293 1.00 0.98 O ATOM 1453 CB SER A 95 0.913 10.384 -12.861 1.00 1.48 C ATOM 1454 OG SER A 95 0.777 9.737 -14.118 1.00 2.01 O ATOM 0 H SER A 95 0.093 10.813 -10.013 1.00 1.20 H new ATOM 0 HA SER A 95 -0.889 9.273 -12.327 1.00 1.22 H new ATOM 0 HB2 SER A 95 0.675 11.443 -12.957 1.00 1.48 H new ATOM 0 HB3 SER A 95 1.945 10.319 -12.516 1.00 1.48 H new ATOM 0 HG SER A 95 1.375 10.159 -14.770 1.00 2.01 H new ATOM 1460 N PRO A 96 -0.021 7.931 -10.230 1.00 0.87 N ATOM 1461 CA PRO A 96 0.575 6.829 -9.436 1.00 0.72 C ATOM 1462 C PRO A 96 0.820 5.602 -10.319 1.00 0.65 C ATOM 1463 O PRO A 96 0.391 5.545 -11.455 1.00 0.79 O ATOM 1464 CB PRO A 96 -0.485 6.532 -8.380 1.00 0.79 C ATOM 1465 CG PRO A 96 -1.773 6.991 -8.986 1.00 0.97 C ATOM 1466 CD PRO A 96 -1.446 8.128 -9.917 1.00 1.02 C ATOM 0 HA PRO A 96 1.541 7.090 -9.003 1.00 0.72 H new ATOM 0 HB2 PRO A 96 -0.518 5.469 -8.141 1.00 0.79 H new ATOM 0 HB3 PRO A 96 -0.275 7.061 -7.450 1.00 0.79 H new ATOM 0 HG2 PRO A 96 -2.255 6.177 -9.527 1.00 0.97 H new ATOM 0 HG3 PRO A 96 -2.469 7.315 -8.212 1.00 0.97 H new ATOM 0 HD2 PRO A 96 -2.061 8.097 -10.817 1.00 1.02 H new ATOM 0 HD3 PRO A 96 -1.621 9.094 -9.444 1.00 1.02 H new ATOM 1474 N LYS A 97 1.506 4.619 -9.805 1.00 0.55 N ATOM 1475 CA LYS A 97 1.777 3.395 -10.609 1.00 0.57 C ATOM 1476 C LYS A 97 1.084 2.187 -9.983 1.00 0.53 C ATOM 1477 O LYS A 97 0.397 2.295 -8.988 1.00 0.89 O ATOM 1478 CB LYS A 97 3.293 3.216 -10.569 1.00 0.68 C ATOM 1479 CG LYS A 97 3.906 3.768 -11.858 1.00 0.85 C ATOM 1480 CD LYS A 97 4.423 2.610 -12.714 1.00 1.63 C ATOM 1481 CE LYS A 97 4.424 3.023 -14.187 1.00 2.05 C ATOM 1482 NZ LYS A 97 5.679 3.805 -14.365 1.00 2.61 N ATOM 0 H LYS A 97 1.891 4.611 -8.861 1.00 0.55 H new ATOM 0 HA LYS A 97 1.404 3.485 -11.629 1.00 0.57 H new ATOM 0 HB2 LYS A 97 3.708 3.735 -9.705 1.00 0.68 H new ATOM 0 HB3 LYS A 97 3.543 2.161 -10.458 1.00 0.68 H new ATOM 0 HG2 LYS A 97 3.161 4.339 -12.412 1.00 0.85 H new ATOM 0 HG3 LYS A 97 4.721 4.452 -11.622 1.00 0.85 H new ATOM 0 HD2 LYS A 97 5.431 2.335 -12.402 1.00 1.63 H new ATOM 0 HD3 LYS A 97 3.795 1.731 -12.573 1.00 1.63 H new ATOM 0 HE2 LYS A 97 4.405 2.152 -14.842 1.00 2.05 H new ATOM 0 HE3 LYS A 97 3.547 3.623 -14.430 1.00 2.05 H new ATOM 0 HZ1 LYS A 97 5.752 4.124 -15.352 1.00 2.61 H new ATOM 0 HZ2 LYS A 97 5.665 4.632 -13.734 1.00 2.61 H new ATOM 0 HZ3 LYS A 97 6.497 3.206 -14.133 1.00 2.61 H new ATOM 1496 N GLU A 98 1.261 1.040 -10.568 1.00 0.51 N ATOM 1497 CA GLU A 98 0.615 -0.187 -10.019 1.00 0.48 C ATOM 1498 C GLU A 98 1.674 -1.233 -9.659 1.00 0.45 C ATOM 1499 O GLU A 98 2.511 -1.587 -10.464 1.00 0.61 O ATOM 1500 CB GLU A 98 -0.281 -0.697 -11.146 1.00 0.61 C ATOM 1501 CG GLU A 98 -1.723 -0.260 -10.889 1.00 1.33 C ATOM 1502 CD GLU A 98 -2.588 -1.493 -10.623 1.00 2.10 C ATOM 1503 OE1 GLU A 98 -2.348 -2.158 -9.629 1.00 2.79 O ATOM 1504 OE2 GLU A 98 -3.476 -1.752 -11.419 1.00 2.61 O ATOM 0 H GLU A 98 1.826 0.895 -11.405 1.00 0.51 H new ATOM 0 HA GLU A 98 0.052 0.016 -9.108 1.00 0.48 H new ATOM 0 HB2 GLU A 98 0.063 -0.306 -12.104 1.00 0.61 H new ATOM 0 HB3 GLU A 98 -0.224 -1.784 -11.206 1.00 0.61 H new ATOM 0 HG2 GLU A 98 -1.763 0.417 -10.035 1.00 1.33 H new ATOM 0 HG3 GLU A 98 -2.107 0.289 -11.749 1.00 1.33 H new ATOM 1511 N TYR A 99 1.639 -1.733 -8.453 1.00 0.45 N ATOM 1512 CA TYR A 99 2.637 -2.762 -8.041 1.00 0.46 C ATOM 1513 C TYR A 99 2.404 -4.059 -8.824 1.00 0.53 C ATOM 1514 O TYR A 99 1.305 -4.574 -8.874 1.00 0.67 O ATOM 1515 CB TYR A 99 2.386 -2.975 -6.544 1.00 0.52 C ATOM 1516 CG TYR A 99 3.229 -4.123 -6.037 1.00 0.64 C ATOM 1517 CD1 TYR A 99 4.616 -3.968 -5.906 1.00 1.58 C ATOM 1518 CD2 TYR A 99 2.627 -5.341 -5.698 1.00 1.20 C ATOM 1519 CE1 TYR A 99 5.398 -5.029 -5.435 1.00 2.05 C ATOM 1520 CE2 TYR A 99 3.410 -6.403 -5.228 1.00 1.49 C ATOM 1521 CZ TYR A 99 4.789 -6.254 -5.099 1.00 1.70 C ATOM 1522 OH TYR A 99 5.565 -7.297 -4.632 1.00 2.27 O ATOM 0 H TYR A 99 0.962 -1.473 -7.735 1.00 0.45 H new ATOM 0 HA TYR A 99 3.664 -2.454 -8.239 1.00 0.46 H new ATOM 0 HB2 TYR A 99 2.626 -2.065 -5.993 1.00 0.52 H new ATOM 0 HB3 TYR A 99 1.330 -3.183 -6.370 1.00 0.52 H new ATOM 0 HD1 TYR A 99 5.081 -3.029 -6.169 1.00 1.58 H new ATOM 0 HD2 TYR A 99 1.559 -5.462 -5.799 1.00 1.20 H new ATOM 0 HE1 TYR A 99 6.466 -4.909 -5.329 1.00 2.05 H new ATOM 0 HE2 TYR A 99 2.943 -7.341 -4.965 1.00 1.49 H new ATOM 0 HH TYR A 99 5.026 -7.869 -4.047 1.00 2.27 H new ATOM 1532 N THR A 100 3.427 -4.587 -9.437 1.00 0.60 N ATOM 1533 CA THR A 100 3.257 -5.847 -10.216 1.00 0.72 C ATOM 1534 C THR A 100 4.542 -6.680 -10.168 1.00 0.83 C ATOM 1535 O THR A 100 5.374 -6.606 -11.049 1.00 1.71 O ATOM 1536 CB THR A 100 2.966 -5.392 -11.647 1.00 0.93 C ATOM 1537 OG1 THR A 100 3.863 -4.349 -12.002 1.00 1.36 O ATOM 1538 CG2 THR A 100 1.526 -4.884 -11.738 1.00 1.13 C ATOM 0 H THR A 100 4.372 -4.202 -9.433 1.00 0.60 H new ATOM 0 HA THR A 100 2.459 -6.473 -9.817 1.00 0.72 H new ATOM 0 HB THR A 100 3.097 -6.231 -12.330 1.00 0.93 H new ATOM 0 HG1 THR A 100 4.783 -4.634 -11.823 1.00 1.36 H new ATOM 0 HG21 THR A 100 1.318 -4.560 -12.758 1.00 1.13 H new ATOM 0 HG22 THR A 100 0.840 -5.686 -11.465 1.00 1.13 H new ATOM 0 HG23 THR A 100 1.393 -4.044 -11.056 1.00 1.13 H new ATOM 1546 N ALA A 101 4.706 -7.473 -9.145 1.00 0.83 N ATOM 1547 CA ALA A 101 5.935 -8.312 -9.041 1.00 1.01 C ATOM 1548 C ALA A 101 5.554 -9.774 -8.781 1.00 1.36 C ATOM 1549 O ALA A 101 5.430 -10.561 -9.698 1.00 1.98 O ATOM 1550 CB ALA A 101 6.715 -7.730 -7.860 1.00 0.87 C ATOM 0 H ALA A 101 4.043 -7.577 -8.377 1.00 0.83 H new ATOM 0 HA ALA A 101 6.526 -8.301 -9.957 1.00 1.01 H new ATOM 0 HB1 ALA A 101 7.636 -8.295 -7.718 1.00 0.87 H new ATOM 0 HB2 ALA A 101 6.957 -6.687 -8.062 1.00 0.87 H new ATOM 0 HB3 ALA A 101 6.108 -7.793 -6.957 1.00 0.87 H new ATOM 1556 N GLY A 102 5.360 -10.145 -7.543 1.00 1.17 N ATOM 1557 CA GLY A 102 4.983 -11.554 -7.242 1.00 1.71 C ATOM 1558 C GLY A 102 3.904 -11.572 -6.159 1.00 1.08 C ATOM 1559 O GLY A 102 2.761 -11.239 -6.402 1.00 1.27 O ATOM 0 H GLY A 102 5.446 -9.534 -6.731 1.00 1.17 H new ATOM 0 HA2 GLY A 102 4.616 -12.044 -8.144 1.00 1.71 H new ATOM 0 HA3 GLY A 102 5.858 -12.113 -6.909 1.00 1.71 H new ATOM 1563 N ARG A 103 4.258 -11.955 -4.965 1.00 0.90 N ATOM 1564 CA ARG A 103 3.255 -11.991 -3.863 1.00 1.11 C ATOM 1565 C ARG A 103 3.962 -12.208 -2.525 1.00 0.94 C ATOM 1566 O ARG A 103 3.438 -12.840 -1.628 1.00 1.04 O ATOM 1567 CB ARG A 103 2.345 -13.176 -4.191 1.00 1.71 C ATOM 1568 CG ARG A 103 3.187 -14.449 -4.304 1.00 2.44 C ATOM 1569 CD ARG A 103 2.322 -15.589 -4.847 1.00 3.16 C ATOM 1570 NE ARG A 103 2.997 -16.834 -4.388 1.00 3.73 N ATOM 1571 CZ ARG A 103 4.172 -17.151 -4.860 1.00 4.34 C ATOM 1572 NH1 ARG A 103 4.317 -17.407 -6.130 1.00 4.81 N ATOM 1573 NH2 ARG A 103 5.201 -17.211 -4.060 1.00 4.84 N ATOM 0 H ARG A 103 5.200 -12.245 -4.703 1.00 0.90 H new ATOM 0 HA ARG A 103 2.692 -11.061 -3.781 1.00 1.11 H new ATOM 0 HB2 ARG A 103 1.590 -13.294 -3.414 1.00 1.71 H new ATOM 0 HB3 ARG A 103 1.815 -12.994 -5.126 1.00 1.71 H new ATOM 0 HG2 ARG A 103 4.037 -14.278 -4.964 1.00 2.44 H new ATOM 0 HG3 ARG A 103 3.591 -14.718 -3.328 1.00 2.44 H new ATOM 0 HD2 ARG A 103 1.303 -15.528 -4.465 1.00 3.16 H new ATOM 0 HD3 ARG A 103 2.257 -15.552 -5.934 1.00 3.16 H new ATOM 0 HE ARG A 103 2.541 -17.439 -3.705 1.00 3.73 H new ATOM 0 HH11 ARG A 103 3.512 -17.360 -6.755 1.00 4.81 H new ATOM 0 HH12 ARG A 103 5.235 -17.655 -6.499 1.00 4.81 H new ATOM 0 HH21 ARG A 103 5.087 -17.010 -3.066 1.00 4.84 H new ATOM 0 HH22 ARG A 103 6.119 -17.459 -4.428 1.00 4.84 H new ATOM 1587 N GLU A 104 5.150 -11.689 -2.385 1.00 0.75 N ATOM 1588 CA GLU A 104 5.896 -11.867 -1.107 1.00 0.66 C ATOM 1589 C GLU A 104 6.486 -10.537 -0.648 1.00 0.56 C ATOM 1590 O GLU A 104 6.686 -9.634 -1.431 1.00 0.57 O ATOM 1591 CB GLU A 104 7.033 -12.829 -1.428 1.00 0.79 C ATOM 1592 CG GLU A 104 6.480 -14.092 -2.094 1.00 1.59 C ATOM 1593 CD GLU A 104 7.357 -15.290 -1.725 1.00 1.87 C ATOM 1594 OE1 GLU A 104 7.321 -15.694 -0.574 1.00 2.04 O ATOM 1595 OE2 GLU A 104 8.050 -15.783 -2.599 1.00 2.51 O ATOM 0 H GLU A 104 5.637 -11.149 -3.100 1.00 0.75 H new ATOM 0 HA GLU A 104 5.244 -12.238 -0.316 1.00 0.66 H new ATOM 0 HB2 GLU A 104 7.753 -12.346 -2.088 1.00 0.79 H new ATOM 0 HB3 GLU A 104 7.565 -13.093 -0.514 1.00 0.79 H new ATOM 0 HG2 GLU A 104 5.454 -14.266 -1.771 1.00 1.59 H new ATOM 0 HG3 GLU A 104 6.457 -13.965 -3.176 1.00 1.59 H new ATOM 1602 N ALA A 105 6.790 -10.427 0.611 1.00 0.50 N ATOM 1603 CA ALA A 105 7.397 -9.164 1.125 1.00 0.44 C ATOM 1604 C ALA A 105 8.620 -8.798 0.284 1.00 0.45 C ATOM 1605 O ALA A 105 8.833 -7.652 -0.057 1.00 0.47 O ATOM 1606 CB ALA A 105 7.817 -9.480 2.559 1.00 0.47 C ATOM 0 H ALA A 105 6.646 -11.155 1.310 1.00 0.50 H new ATOM 0 HA ALA A 105 6.706 -8.322 1.079 1.00 0.44 H new ATOM 0 HB1 ALA A 105 8.274 -8.598 3.007 1.00 0.47 H new ATOM 0 HB2 ALA A 105 6.941 -9.770 3.139 1.00 0.47 H new ATOM 0 HB3 ALA A 105 8.537 -10.299 2.555 1.00 0.47 H new ATOM 1612 N ASP A 106 9.421 -9.769 -0.058 1.00 0.51 N ATOM 1613 CA ASP A 106 10.624 -9.481 -0.884 1.00 0.56 C ATOM 1614 C ASP A 106 10.201 -8.850 -2.207 1.00 0.54 C ATOM 1615 O ASP A 106 10.817 -7.920 -2.689 1.00 0.64 O ATOM 1616 CB ASP A 106 11.283 -10.842 -1.120 1.00 0.67 C ATOM 1617 CG ASP A 106 12.772 -10.644 -1.409 1.00 1.18 C ATOM 1618 OD1 ASP A 106 13.104 -10.390 -2.556 1.00 2.02 O ATOM 1619 OD2 ASP A 106 13.555 -10.751 -0.480 1.00 1.82 O ATOM 0 H ASP A 106 9.294 -10.748 0.199 1.00 0.51 H new ATOM 0 HA ASP A 106 11.307 -8.784 -0.398 1.00 0.56 H new ATOM 0 HB2 ASP A 106 11.153 -11.478 -0.244 1.00 0.67 H new ATOM 0 HB3 ASP A 106 10.804 -11.350 -1.957 1.00 0.67 H new ATOM 1624 N ASP A 107 9.149 -9.344 -2.797 1.00 0.50 N ATOM 1625 CA ASP A 107 8.688 -8.758 -4.089 1.00 0.52 C ATOM 1626 C ASP A 107 8.243 -7.308 -3.874 1.00 0.51 C ATOM 1627 O ASP A 107 8.300 -6.490 -4.770 1.00 0.63 O ATOM 1628 CB ASP A 107 7.507 -9.621 -4.530 1.00 0.55 C ATOM 1629 CG ASP A 107 8.018 -10.783 -5.385 1.00 0.76 C ATOM 1630 OD1 ASP A 107 8.188 -10.586 -6.577 1.00 1.39 O ATOM 1631 OD2 ASP A 107 8.233 -11.849 -4.833 1.00 1.41 O ATOM 0 H ASP A 107 8.591 -10.122 -2.445 1.00 0.50 H new ATOM 0 HA ASP A 107 9.478 -8.746 -4.840 1.00 0.52 H new ATOM 0 HB2 ASP A 107 6.976 -10.003 -3.658 1.00 0.55 H new ATOM 0 HB3 ASP A 107 6.797 -9.021 -5.099 1.00 0.55 H new ATOM 1636 N ILE A 108 7.801 -6.988 -2.689 1.00 0.46 N ATOM 1637 CA ILE A 108 7.351 -5.592 -2.407 1.00 0.52 C ATOM 1638 C ILE A 108 8.550 -4.641 -2.373 1.00 0.50 C ATOM 1639 O ILE A 108 8.534 -3.585 -2.974 1.00 0.52 O ATOM 1640 CB ILE A 108 6.696 -5.654 -1.026 1.00 0.60 C ATOM 1641 CG1 ILE A 108 5.543 -6.662 -1.043 1.00 0.73 C ATOM 1642 CG2 ILE A 108 6.163 -4.269 -0.651 1.00 0.67 C ATOM 1643 CD1 ILE A 108 4.449 -6.189 -2.001 1.00 0.68 C ATOM 0 H ILE A 108 7.731 -7.633 -1.902 1.00 0.46 H new ATOM 0 HA ILE A 108 6.668 -5.224 -3.173 1.00 0.52 H new ATOM 0 HB ILE A 108 7.436 -5.970 -0.290 1.00 0.60 H new ATOM 0 HG12 ILE A 108 5.910 -7.641 -1.351 1.00 0.73 H new ATOM 0 HG13 ILE A 108 5.134 -6.776 -0.039 1.00 0.73 H new ATOM 0 HG21 ILE A 108 5.696 -4.313 0.333 1.00 0.67 H new ATOM 0 HG22 ILE A 108 6.987 -3.555 -0.630 1.00 0.67 H new ATOM 0 HG23 ILE A 108 5.426 -3.951 -1.388 1.00 0.67 H new ATOM 0 HD11 ILE A 108 3.633 -6.912 -2.007 1.00 0.68 H new ATOM 0 HD12 ILE A 108 4.073 -5.220 -1.674 1.00 0.68 H new ATOM 0 HD13 ILE A 108 4.860 -6.098 -3.006 1.00 0.68 H new ATOM 1655 N VAL A 109 9.586 -5.001 -1.665 1.00 0.51 N ATOM 1656 CA VAL A 109 10.781 -4.110 -1.579 1.00 0.56 C ATOM 1657 C VAL A 109 11.476 -4.000 -2.938 1.00 0.51 C ATOM 1658 O VAL A 109 11.758 -2.919 -3.416 1.00 0.55 O ATOM 1659 CB VAL A 109 11.699 -4.782 -0.559 1.00 0.67 C ATOM 1660 CG1 VAL A 109 12.949 -3.924 -0.355 1.00 0.81 C ATOM 1661 CG2 VAL A 109 10.962 -4.930 0.773 1.00 0.86 C ATOM 0 H VAL A 109 9.658 -5.874 -1.142 1.00 0.51 H new ATOM 0 HA VAL A 109 10.513 -3.095 -1.286 1.00 0.56 H new ATOM 0 HB VAL A 109 11.988 -5.767 -0.926 1.00 0.67 H new ATOM 0 HG11 VAL A 109 13.604 -4.403 0.373 1.00 0.81 H new ATOM 0 HG12 VAL A 109 13.476 -3.818 -1.303 1.00 0.81 H new ATOM 0 HG13 VAL A 109 12.659 -2.939 0.011 1.00 0.81 H new ATOM 0 HG21 VAL A 109 11.617 -5.409 1.500 1.00 0.86 H new ATOM 0 HG22 VAL A 109 10.672 -3.945 1.140 1.00 0.86 H new ATOM 0 HG23 VAL A 109 10.071 -5.541 0.630 1.00 0.86 H new ATOM 1671 N ASN A 110 11.764 -5.109 -3.563 1.00 0.50 N ATOM 1672 CA ASN A 110 12.451 -5.062 -4.887 1.00 0.52 C ATOM 1673 C ASN A 110 11.705 -4.134 -5.846 1.00 0.50 C ATOM 1674 O ASN A 110 12.303 -3.357 -6.563 1.00 0.59 O ATOM 1675 CB ASN A 110 12.422 -6.502 -5.401 1.00 0.59 C ATOM 1676 CG ASN A 110 13.664 -7.246 -4.905 1.00 0.98 C ATOM 1677 OD1 ASN A 110 14.645 -7.355 -5.614 1.00 1.65 O ATOM 1678 ND2 ASN A 110 13.663 -7.767 -3.709 1.00 1.29 N ATOM 0 H ASN A 110 11.554 -6.045 -3.215 1.00 0.50 H new ATOM 0 HA ASN A 110 13.468 -4.677 -4.807 1.00 0.52 H new ATOM 0 HB2 ASN A 110 11.520 -7.006 -5.053 1.00 0.59 H new ATOM 0 HB3 ASN A 110 12.391 -6.510 -6.491 1.00 0.59 H new ATOM 0 HD21 ASN A 110 14.485 -8.266 -3.369 1.00 1.29 H new ATOM 0 HD22 ASN A 110 12.840 -7.676 -3.114 1.00 1.29 H new ATOM 1685 N TRP A 111 10.407 -4.210 -5.867 1.00 0.46 N ATOM 1686 CA TRP A 111 9.626 -3.329 -6.781 1.00 0.51 C ATOM 1687 C TRP A 111 9.696 -1.877 -6.304 1.00 0.55 C ATOM 1688 O TRP A 111 9.637 -0.951 -7.088 1.00 0.66 O ATOM 1689 CB TRP A 111 8.191 -3.850 -6.707 1.00 0.55 C ATOM 1690 CG TRP A 111 7.412 -3.321 -7.867 1.00 0.58 C ATOM 1691 CD1 TRP A 111 7.149 -4.007 -9.003 1.00 0.73 C ATOM 1692 CD2 TRP A 111 6.795 -2.011 -8.027 1.00 0.69 C ATOM 1693 NE1 TRP A 111 6.408 -3.201 -9.849 1.00 0.84 N ATOM 1694 CE2 TRP A 111 6.165 -1.962 -9.293 1.00 0.83 C ATOM 1695 CE3 TRP A 111 6.722 -0.872 -7.204 1.00 0.84 C ATOM 1696 CZ2 TRP A 111 5.486 -0.823 -9.728 1.00 1.03 C ATOM 1697 CZ3 TRP A 111 6.039 0.276 -7.639 1.00 1.07 C ATOM 1698 CH2 TRP A 111 5.423 0.300 -8.898 1.00 1.14 C ATOM 0 H TRP A 111 9.851 -4.843 -5.292 1.00 0.46 H new ATOM 0 HA TRP A 111 10.012 -3.347 -7.800 1.00 0.51 H new ATOM 0 HB2 TRP A 111 8.187 -4.940 -6.718 1.00 0.55 H new ATOM 0 HB3 TRP A 111 7.727 -3.539 -5.771 1.00 0.55 H new ATOM 0 HD1 TRP A 111 7.465 -5.018 -9.215 1.00 0.73 H new ATOM 0 HE1 TRP A 111 6.081 -3.488 -10.772 1.00 0.84 H new ATOM 0 HE3 TRP A 111 7.194 -0.880 -6.232 1.00 0.84 H new ATOM 0 HZ2 TRP A 111 5.013 -0.809 -10.699 1.00 1.03 H new ATOM 0 HZ3 TRP A 111 5.988 1.145 -7.000 1.00 1.07 H new ATOM 0 HH2 TRP A 111 4.900 1.186 -9.227 1.00 1.14 H new ATOM 1709 N LEU A 112 9.823 -1.673 -5.023 1.00 0.55 N ATOM 1710 CA LEU A 112 9.898 -0.283 -4.492 1.00 0.65 C ATOM 1711 C LEU A 112 11.325 0.258 -4.624 1.00 0.65 C ATOM 1712 O LEU A 112 11.533 1.424 -4.900 1.00 0.75 O ATOM 1713 CB LEU A 112 9.504 -0.398 -3.020 1.00 0.74 C ATOM 1714 CG LEU A 112 7.978 -0.447 -2.902 1.00 0.86 C ATOM 1715 CD1 LEU A 112 7.589 -1.113 -1.581 1.00 1.49 C ATOM 1716 CD2 LEU A 112 7.417 0.976 -2.941 1.00 1.10 C ATOM 0 H LEU A 112 9.878 -2.410 -4.320 1.00 0.55 H new ATOM 0 HA LEU A 112 9.247 0.401 -5.036 1.00 0.65 H new ATOM 0 HB2 LEU A 112 9.942 -1.296 -2.584 1.00 0.74 H new ATOM 0 HB3 LEU A 112 9.896 0.451 -2.460 1.00 0.74 H new ATOM 0 HG LEU A 112 7.568 -1.022 -3.733 1.00 0.86 H new ATOM 0 HD11 LEU A 112 6.503 -1.148 -1.497 1.00 1.49 H new ATOM 0 HD12 LEU A 112 7.988 -2.127 -1.554 1.00 1.49 H new ATOM 0 HD13 LEU A 112 7.999 -0.539 -0.750 1.00 1.49 H new ATOM 0 HD21 LEU A 112 6.331 0.941 -2.857 1.00 1.10 H new ATOM 0 HD22 LEU A 112 7.827 1.552 -2.111 1.00 1.10 H new ATOM 0 HD23 LEU A 112 7.693 1.450 -3.883 1.00 1.10 H new ATOM 1728 N LYS A 113 12.309 -0.578 -4.431 1.00 0.62 N ATOM 1729 CA LYS A 113 13.718 -0.106 -4.548 1.00 0.70 C ATOM 1730 C LYS A 113 14.273 -0.437 -5.936 1.00 0.75 C ATOM 1731 O LYS A 113 15.458 -0.644 -6.110 1.00 1.01 O ATOM 1732 CB LYS A 113 14.482 -0.868 -3.464 1.00 0.79 C ATOM 1733 CG LYS A 113 14.820 0.084 -2.315 1.00 1.42 C ATOM 1734 CD LYS A 113 14.820 -0.685 -0.992 1.00 1.84 C ATOM 1735 CE LYS A 113 14.682 0.300 0.170 1.00 2.39 C ATOM 1736 NZ LYS A 113 15.104 -0.465 1.376 1.00 2.86 N ATOM 0 H LYS A 113 12.199 -1.565 -4.198 1.00 0.62 H new ATOM 0 HA LYS A 113 13.805 0.973 -4.423 1.00 0.70 H new ATOM 0 HB2 LYS A 113 13.881 -1.700 -3.097 1.00 0.79 H new ATOM 0 HB3 LYS A 113 15.396 -1.294 -3.879 1.00 0.79 H new ATOM 0 HG2 LYS A 113 15.796 0.539 -2.482 1.00 1.42 H new ATOM 0 HG3 LYS A 113 14.093 0.895 -2.276 1.00 1.42 H new ATOM 0 HD2 LYS A 113 13.998 -1.401 -0.975 1.00 1.84 H new ATOM 0 HD3 LYS A 113 15.743 -1.256 -0.891 1.00 1.84 H new ATOM 0 HE2 LYS A 113 15.310 1.178 0.020 1.00 2.39 H new ATOM 0 HE3 LYS A 113 13.656 0.655 0.267 1.00 2.39 H new ATOM 0 HZ1 LYS A 113 15.036 0.145 2.215 1.00 2.86 H new ATOM 0 HZ2 LYS A 113 14.484 -1.291 1.498 1.00 2.86 H new ATOM 0 HZ3 LYS A 113 16.087 -0.784 1.258 1.00 2.86 H new ATOM 1750 N LYS A 114 13.423 -0.486 -6.925 1.00 0.71 N ATOM 1751 CA LYS A 114 13.899 -0.801 -8.303 1.00 0.89 C ATOM 1752 C LYS A 114 14.314 0.484 -9.024 1.00 1.07 C ATOM 1753 O LYS A 114 15.144 0.469 -9.911 1.00 1.31 O ATOM 1754 CB LYS A 114 12.698 -1.443 -8.998 1.00 0.92 C ATOM 1755 CG LYS A 114 13.169 -2.611 -9.866 1.00 1.45 C ATOM 1756 CD LYS A 114 11.956 -3.305 -10.489 1.00 1.77 C ATOM 1757 CE LYS A 114 12.225 -4.807 -10.595 1.00 2.49 C ATOM 1758 NZ LYS A 114 11.522 -5.408 -9.427 1.00 3.00 N ATOM 0 H LYS A 114 12.420 -0.322 -6.839 1.00 0.71 H new ATOM 0 HA LYS A 114 14.768 -1.459 -8.301 1.00 0.89 H new ATOM 0 HB2 LYS A 114 11.981 -1.795 -8.256 1.00 0.92 H new ATOM 0 HB3 LYS A 114 12.184 -0.704 -9.613 1.00 0.92 H new ATOM 0 HG2 LYS A 114 13.837 -2.250 -10.648 1.00 1.45 H new ATOM 0 HG3 LYS A 114 13.737 -3.320 -9.264 1.00 1.45 H new ATOM 0 HD2 LYS A 114 11.069 -3.126 -9.881 1.00 1.77 H new ATOM 0 HD3 LYS A 114 11.754 -2.890 -11.477 1.00 1.77 H new ATOM 0 HE2 LYS A 114 11.846 -5.210 -11.534 1.00 2.49 H new ATOM 0 HE3 LYS A 114 13.294 -5.020 -10.565 1.00 2.49 H new ATOM 0 HZ1 LYS A 114 11.661 -6.439 -9.431 1.00 3.00 H new ATOM 0 HZ2 LYS A 114 11.908 -5.010 -8.547 1.00 3.00 H new ATOM 0 HZ3 LYS A 114 10.506 -5.195 -9.486 1.00 3.00 H new ATOM 1772 N ARG A 115 13.742 1.596 -8.651 1.00 1.09 N ATOM 1773 CA ARG A 115 14.103 2.882 -9.317 1.00 1.40 C ATOM 1774 C ARG A 115 15.072 3.680 -8.441 1.00 1.25 C ATOM 1775 O ARG A 115 15.858 4.468 -8.928 1.00 1.55 O ATOM 1776 CB ARG A 115 12.781 3.633 -9.471 1.00 1.86 C ATOM 1777 CG ARG A 115 11.939 2.969 -10.562 1.00 2.43 C ATOM 1778 CD ARG A 115 10.484 3.424 -10.432 1.00 2.92 C ATOM 1779 NE ARG A 115 10.081 3.822 -11.807 1.00 3.45 N ATOM 1780 CZ ARG A 115 9.392 4.914 -11.995 1.00 3.99 C ATOM 1781 NH1 ARG A 115 8.108 4.924 -11.760 1.00 4.34 N ATOM 1782 NH2 ARG A 115 9.986 5.995 -12.417 1.00 4.52 N ATOM 0 H ARG A 115 13.040 1.671 -7.914 1.00 1.09 H new ATOM 0 HA ARG A 115 14.598 2.724 -10.275 1.00 1.40 H new ATOM 0 HB2 ARG A 115 12.238 3.631 -8.526 1.00 1.86 H new ATOM 0 HB3 ARG A 115 12.971 4.675 -9.727 1.00 1.86 H new ATOM 0 HG2 ARG A 115 12.327 3.232 -11.546 1.00 2.43 H new ATOM 0 HG3 ARG A 115 12.001 1.884 -10.474 1.00 2.43 H new ATOM 0 HD2 ARG A 115 9.852 2.621 -10.052 1.00 2.92 H new ATOM 0 HD3 ARG A 115 10.392 4.258 -9.737 1.00 2.92 H new ATOM 0 HE ARG A 115 10.343 3.241 -12.603 1.00 3.45 H new ATOM 0 HH11 ARG A 115 7.643 4.078 -11.429 1.00 4.34 H new ATOM 0 HH12 ARG A 115 7.569 5.778 -11.907 1.00 4.34 H new ATOM 0 HH21 ARG A 115 10.989 5.987 -12.600 1.00 4.52 H new ATOM 0 HH22 ARG A 115 9.447 6.849 -12.564 1.00 4.52 H new ATOM 1796 N THR A 116 15.020 3.485 -7.153 1.00 1.09 N ATOM 1797 CA THR A 116 15.937 4.236 -6.248 1.00 1.33 C ATOM 1798 C THR A 116 17.296 3.534 -6.166 1.00 1.97 C ATOM 1799 O THR A 116 18.304 4.145 -5.873 1.00 2.63 O ATOM 1800 CB THR A 116 15.245 4.224 -4.884 1.00 1.60 C ATOM 1801 OG1 THR A 116 14.855 2.896 -4.565 1.00 2.17 O ATOM 1802 CG2 THR A 116 14.009 5.124 -4.929 1.00 1.81 C ATOM 0 H THR A 116 14.383 2.839 -6.687 1.00 1.09 H new ATOM 0 HA THR A 116 16.125 5.250 -6.602 1.00 1.33 H new ATOM 0 HB THR A 116 15.933 4.594 -4.124 1.00 1.60 H new ATOM 0 HG1 THR A 116 14.371 2.893 -3.713 1.00 2.17 H new ATOM 0 HG21 THR A 116 13.517 5.115 -3.957 1.00 1.81 H new ATOM 0 HG22 THR A 116 14.309 6.143 -5.174 1.00 1.81 H new ATOM 0 HG23 THR A 116 13.319 4.757 -5.689 1.00 1.81 H new ATOM 1810 N GLY A 117 17.332 2.255 -6.420 1.00 2.26 N ATOM 1811 CA GLY A 117 18.627 1.521 -6.354 1.00 3.23 C ATOM 1812 C GLY A 117 18.554 0.268 -7.233 1.00 3.72 C ATOM 1813 O GLY A 117 17.485 -0.123 -7.661 1.00 3.64 O ATOM 0 H GLY A 117 16.522 1.687 -6.670 1.00 2.26 H new ATOM 0 HA2 GLY A 117 19.439 2.166 -6.689 1.00 3.23 H new ATOM 0 HA3 GLY A 117 18.846 1.242 -5.323 1.00 3.23 H new ATOM 1817 N PRO A 118 19.697 -0.327 -7.479 1.00 4.60 N ATOM 1818 CA PRO A 118 19.747 -1.550 -8.318 1.00 5.37 C ATOM 1819 C PRO A 118 19.192 -2.748 -7.546 1.00 5.55 C ATOM 1820 O PRO A 118 19.896 -3.699 -7.266 1.00 5.89 O ATOM 1821 CB PRO A 118 21.235 -1.731 -8.604 1.00 6.27 C ATOM 1822 CG PRO A 118 21.933 -1.042 -7.475 1.00 6.17 C ATOM 1823 CD PRO A 118 21.032 0.071 -7.007 1.00 5.22 C ATOM 0 HA PRO A 118 19.151 -1.470 -9.227 1.00 5.37 H new ATOM 0 HB2 PRO A 118 21.503 -2.787 -8.648 1.00 6.27 H new ATOM 0 HB3 PRO A 118 21.509 -1.292 -9.564 1.00 6.27 H new ATOM 0 HG2 PRO A 118 22.134 -1.741 -6.663 1.00 6.17 H new ATOM 0 HG3 PRO A 118 22.895 -0.647 -7.801 1.00 6.17 H new ATOM 0 HD2 PRO A 118 21.057 0.175 -5.922 1.00 5.22 H new ATOM 0 HD3 PRO A 118 21.333 1.031 -7.426 1.00 5.22 H new ATOM 1831 N ALA A 119 17.935 -2.712 -7.198 1.00 5.74 N ATOM 1832 CA ALA A 119 17.337 -3.850 -6.443 1.00 6.37 C ATOM 1833 C ALA A 119 18.173 -4.160 -5.198 1.00 7.12 C ATOM 1834 O ALA A 119 18.171 -5.268 -4.698 1.00 7.52 O ATOM 1835 CB ALA A 119 17.364 -5.029 -7.415 1.00 6.62 C ATOM 0 H ALA A 119 17.296 -1.944 -7.404 1.00 5.74 H new ATOM 0 HA ALA A 119 16.327 -3.629 -6.098 1.00 6.37 H new ATOM 0 HB1 ALA A 119 16.939 -5.909 -6.932 1.00 6.62 H new ATOM 0 HB2 ALA A 119 16.779 -4.783 -8.301 1.00 6.62 H new ATOM 0 HB3 ALA A 119 18.394 -5.237 -7.706 1.00 6.62 H new ATOM 1841 N ALA A 120 18.888 -3.192 -4.692 1.00 7.64 N ATOM 1842 CA ALA A 120 19.722 -3.436 -3.481 1.00 8.64 C ATOM 1843 C ALA A 120 19.694 -2.209 -2.564 1.00 9.09 C ATOM 1844 O ALA A 120 19.024 -2.269 -1.547 1.00 9.37 O ATOM 1845 CB ALA A 120 21.136 -3.675 -4.012 1.00 9.17 C ATOM 1846 OXT ALA A 120 20.341 -1.230 -2.897 1.00 9.38 O ATOM 0 H ALA A 120 18.931 -2.243 -5.065 1.00 7.64 H new ATOM 0 HA ALA A 120 19.360 -4.280 -2.895 1.00 8.64 H new ATOM 0 HB1 ALA A 120 21.811 -3.863 -3.177 1.00 9.17 H new ATOM 0 HB2 ALA A 120 21.134 -4.538 -4.678 1.00 9.17 H new ATOM 0 HB3 ALA A 120 21.472 -2.795 -4.560 1.00 9.17 H new TER 1852 ALA A 120