USER MOD reduce.3.24.130724 H: found=0, std=0, add=917, rem=0, adj=17 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 :FLIP no HD1:sc= -0.0767 F(o=-0.63,f=-0.077) 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= -2.2 K(o=-2.2,f=-6.7!) USER MOD Single : A 24 HIS : no HD1:sc= -0.0983 X(o=-0.098,f=-0.00068) 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 180:sc= 0 USER MOD Single : A 38 HIS : no HD1:sc= -0.0353 X(o=-0.035,f=-0.16) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 TYR OH : rot -77:sc= 0.42 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 THR OG1 : rot 150:sc= -0.116 USER MOD Single : A 71 SER OG : rot 73:sc= 0.24 USER MOD Single : A 75 GLN : amide:sc= -0.18 K(o=-0.18,f=-1.1) USER MOD Single : A 76 GLN : amide:sc= -0.151 X(o=-0.15,f=-0.029) USER MOD Single : A 77 TYR OH : rot 180:sc=-0.00435 USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 84 THR OG1 : rot -72:sc= 0.395 USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 ASN : amide:sc= -0.581 K(o=-0.58,f=-1.3) USER MOD Single : A 93 THR OG1 : rot 180:sc= -0.658 USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 97 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.00411) USER MOD Single : A 99 TYR OH : rot -29:sc= -2.62! USER MOD Single : A 100 THR OG1 : rot 170:sc= 0.0136 USER MOD Single : A 110 ASN : amide:sc= 0 X(o=0,f=-0.051) 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 150:sc= -1.5 USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 1 -12.085 10.888 13.589 1.00 7.08 N ATOM 2 CA ASP A 1 -11.265 9.927 12.797 1.00 6.65 C ATOM 3 C ASP A 1 -10.209 9.271 13.693 1.00 5.96 C ATOM 4 O ASP A 1 -9.211 9.874 14.036 1.00 6.16 O ATOM 5 CB ASP A 1 -10.598 10.774 11.713 1.00 7.15 C ATOM 6 CG ASP A 1 -9.103 10.902 12.014 1.00 7.15 C ATOM 7 OD1 ASP A 1 -8.755 10.932 13.183 1.00 7.22 O ATOM 8 OD2 ASP A 1 -8.333 10.967 11.071 1.00 7.37 O ATOM 0 H1 ASP A 1 -12.798 11.327 12.972 1.00 7.08 H new ATOM 0 H2 ASP A 1 -12.561 10.382 14.363 1.00 7.08 H new ATOM 0 H3 ASP A 1 -11.469 11.626 13.985 1.00 7.08 H new ATOM 0 HA ASP A 1 -11.866 9.123 12.372 1.00 6.65 H new ATOM 0 HB2 ASP A 1 -10.745 10.315 10.736 1.00 7.15 H new ATOM 0 HB3 ASP A 1 -11.058 11.761 11.674 1.00 7.15 H new ATOM 15 N ALA A 2 -10.424 8.041 14.076 1.00 5.41 N ATOM 16 CA ALA A 2 -9.434 7.348 14.950 1.00 4.78 C ATOM 17 C ALA A 2 -8.290 6.773 14.105 1.00 3.77 C ATOM 18 O ALA A 2 -8.504 6.354 12.985 1.00 3.42 O ATOM 19 CB ALA A 2 -10.221 6.225 15.624 1.00 5.00 C ATOM 0 H ALA A 2 -11.242 7.487 13.822 1.00 5.41 H new ATOM 0 HA ALA A 2 -8.981 8.022 15.677 1.00 4.78 H new ATOM 0 HB1 ALA A 2 -9.561 5.665 16.287 1.00 5.00 H new ATOM 0 HB2 ALA A 2 -11.040 6.651 16.203 1.00 5.00 H new ATOM 0 HB3 ALA A 2 -10.624 5.556 14.864 1.00 5.00 H new ATOM 25 N PRO A 3 -7.106 6.773 14.669 1.00 3.56 N ATOM 26 CA PRO A 3 -5.925 6.243 13.945 1.00 2.78 C ATOM 27 C PRO A 3 -5.983 4.714 13.870 1.00 2.04 C ATOM 28 O PRO A 3 -6.164 4.040 14.864 1.00 2.31 O ATOM 29 CB PRO A 3 -4.744 6.699 14.796 1.00 3.38 C ATOM 30 CG PRO A 3 -5.306 6.881 16.171 1.00 4.09 C ATOM 31 CD PRO A 3 -6.754 7.263 16.012 1.00 4.30 C ATOM 0 HA PRO A 3 -5.863 6.596 12.916 1.00 2.78 H new ATOM 0 HB2 PRO A 3 -3.944 5.958 14.791 1.00 3.38 H new ATOM 0 HB3 PRO A 3 -4.320 7.629 14.417 1.00 3.38 H new ATOM 0 HG2 PRO A 3 -5.212 5.962 16.750 1.00 4.09 H new ATOM 0 HG3 PRO A 3 -4.761 7.655 16.710 1.00 4.09 H new ATOM 0 HD2 PRO A 3 -7.375 6.803 16.780 1.00 4.30 H new ATOM 0 HD3 PRO A 3 -6.894 8.341 16.093 1.00 4.30 H new ATOM 39 N GLU A 4 -5.825 4.164 12.696 1.00 1.37 N ATOM 40 CA GLU A 4 -5.867 2.679 12.556 1.00 1.14 C ATOM 41 C GLU A 4 -4.611 2.184 11.836 1.00 0.89 C ATOM 42 O GLU A 4 -4.141 2.796 10.897 1.00 1.30 O ATOM 43 CB GLU A 4 -7.112 2.396 11.714 1.00 1.67 C ATOM 44 CG GLU A 4 -7.973 1.342 12.412 1.00 2.39 C ATOM 45 CD GLU A 4 -7.244 0.829 13.656 1.00 2.65 C ATOM 46 OE1 GLU A 4 -6.308 0.064 13.496 1.00 3.05 O ATOM 47 OE2 GLU A 4 -7.634 1.213 14.747 1.00 3.09 O ATOM 0 H GLU A 4 -5.669 4.678 11.829 1.00 1.37 H new ATOM 0 HA GLU A 4 -5.903 2.173 13.521 1.00 1.14 H new ATOM 0 HB2 GLU A 4 -7.684 3.313 11.573 1.00 1.67 H new ATOM 0 HB3 GLU A 4 -6.822 2.046 10.723 1.00 1.67 H new ATOM 0 HG2 GLU A 4 -8.935 1.771 12.692 1.00 2.39 H new ATOM 0 HG3 GLU A 4 -8.178 0.516 11.731 1.00 2.39 H new ATOM 54 N GLU A 5 -4.061 1.081 12.266 1.00 1.00 N ATOM 55 CA GLU A 5 -2.834 0.554 11.599 1.00 0.81 C ATOM 56 C GLU A 5 -2.826 -0.973 11.610 1.00 0.87 C ATOM 57 O GLU A 5 -3.723 -1.612 12.119 1.00 1.15 O ATOM 58 CB GLU A 5 -1.652 1.090 12.412 1.00 0.95 C ATOM 59 CG GLU A 5 -1.861 0.794 13.900 1.00 1.46 C ATOM 60 CD GLU A 5 -0.508 0.790 14.614 1.00 1.82 C ATOM 61 OE1 GLU A 5 0.421 1.375 14.084 1.00 2.19 O ATOM 62 OE2 GLU A 5 -0.426 0.203 15.680 1.00 2.50 O ATOM 0 H GLU A 5 -4.406 0.523 13.047 1.00 1.00 H new ATOM 0 HA GLU A 5 -2.786 0.868 10.556 1.00 0.81 H new ATOM 0 HB2 GLU A 5 -0.725 0.630 12.068 1.00 0.95 H new ATOM 0 HB3 GLU A 5 -1.551 2.164 12.257 1.00 0.95 H new ATOM 0 HG2 GLU A 5 -2.516 1.545 14.343 1.00 1.46 H new ATOM 0 HG3 GLU A 5 -2.353 -0.171 14.024 1.00 1.46 H new ATOM 69 N GLU A 6 -1.808 -1.552 11.045 1.00 0.79 N ATOM 70 CA GLU A 6 -1.713 -3.039 11.006 1.00 1.04 C ATOM 71 C GLU A 6 -0.310 -3.485 11.425 1.00 1.10 C ATOM 72 O GLU A 6 0.518 -2.682 11.805 1.00 1.76 O ATOM 73 CB GLU A 6 -1.980 -3.409 9.549 1.00 1.28 C ATOM 74 CG GLU A 6 -3.457 -3.768 9.376 1.00 1.68 C ATOM 75 CD GLU A 6 -4.217 -3.441 10.661 1.00 1.97 C ATOM 76 OE1 GLU A 6 -4.080 -2.326 11.140 1.00 2.63 O ATOM 77 OE2 GLU A 6 -4.924 -4.309 11.146 1.00 2.24 O ATOM 0 H GLU A 6 -1.031 -1.058 10.605 1.00 0.79 H new ATOM 0 HA GLU A 6 -2.417 -3.520 11.685 1.00 1.04 H new ATOM 0 HB2 GLU A 6 -1.719 -2.575 8.897 1.00 1.28 H new ATOM 0 HB3 GLU A 6 -1.353 -4.251 9.256 1.00 1.28 H new ATOM 0 HG2 GLU A 6 -3.881 -3.213 8.539 1.00 1.68 H new ATOM 0 HG3 GLU A 6 -3.559 -4.827 9.140 1.00 1.68 H new ATOM 84 N ASP A 7 -0.034 -4.759 11.356 1.00 1.27 N ATOM 85 CA ASP A 7 1.320 -5.247 11.749 1.00 1.35 C ATOM 86 C ASP A 7 2.393 -4.514 10.942 1.00 1.28 C ATOM 87 O ASP A 7 2.707 -4.885 9.831 1.00 2.01 O ATOM 88 CB ASP A 7 1.317 -6.738 11.413 1.00 1.53 C ATOM 89 CG ASP A 7 0.617 -7.514 12.532 1.00 1.92 C ATOM 90 OD1 ASP A 7 -0.138 -6.899 13.268 1.00 2.36 O ATOM 91 OD2 ASP A 7 0.849 -8.707 12.633 1.00 2.57 O ATOM 0 H ASP A 7 -0.684 -5.481 11.046 1.00 1.27 H new ATOM 0 HA ASP A 7 1.537 -5.071 12.803 1.00 1.35 H new ATOM 0 HB2 ASP A 7 0.806 -6.907 10.465 1.00 1.53 H new ATOM 0 HB3 ASP A 7 2.339 -7.096 11.292 1.00 1.53 H new ATOM 96 N HIS A 8 2.956 -3.473 11.496 1.00 1.21 N ATOM 97 CA HIS A 8 4.009 -2.707 10.763 1.00 1.11 C ATOM 98 C HIS A 8 3.473 -2.223 9.412 1.00 0.81 C ATOM 99 O HIS A 8 4.223 -1.980 8.486 1.00 0.87 O ATOM 100 CB HIS A 8 5.167 -3.691 10.567 1.00 1.32 C ATOM 101 CG HIS A 8 5.591 -4.236 11.903 1.00 1.61 C ATOM 102 ND1 HIS A 8 5.052 -5.204 12.713 1.00 2.30 N flip ATOM 103 CD2 HIS A 8 6.715 -3.770 12.569 1.00 2.02 C flip ATOM 104 CE1 HIS A 8 5.825 -5.340 13.862 1.00 2.53 C flip ATOM 105 NE2 HIS A 8 6.814 -4.453 13.724 1.00 2.33 N flip ATOM 0 H HIS A 8 2.732 -3.119 12.426 1.00 1.21 H new ATOM 0 HA HIS A 8 4.325 -1.820 11.312 1.00 1.11 H new ATOM 0 HB2 HIS A 8 4.860 -4.505 9.911 1.00 1.32 H new ATOM 0 HB3 HIS A 8 6.006 -3.191 10.083 1.00 1.32 H new ATOM 0 HD2 HIS A 8 7.388 -2.999 12.223 1.00 2.02 H new ATOM 0 HE1 HIS A 8 5.661 -6.017 14.687 1.00 2.53 H new ATOM 0 HE2 HIS A 8 7.554 -4.311 14.411 1.00 2.33 H new ATOM 113 N VAL A 9 2.181 -2.072 9.295 1.00 0.69 N ATOM 114 CA VAL A 9 1.597 -1.593 8.007 1.00 0.49 C ATOM 115 C VAL A 9 0.624 -0.441 8.275 1.00 0.41 C ATOM 116 O VAL A 9 -0.028 -0.390 9.299 1.00 0.54 O ATOM 117 CB VAL A 9 0.860 -2.805 7.421 1.00 0.68 C ATOM 118 CG1 VAL A 9 0.012 -2.373 6.218 1.00 0.88 C ATOM 119 CG2 VAL A 9 1.882 -3.846 6.963 1.00 0.89 C ATOM 0 H VAL A 9 1.504 -2.259 10.035 1.00 0.69 H new ATOM 0 HA VAL A 9 2.356 -1.218 7.320 1.00 0.49 H new ATOM 0 HB VAL A 9 0.211 -3.231 8.186 1.00 0.68 H new ATOM 0 HG11 VAL A 9 -0.507 -3.240 5.809 1.00 0.88 H new ATOM 0 HG12 VAL A 9 -0.718 -1.629 6.536 1.00 0.88 H new ATOM 0 HG13 VAL A 9 0.658 -1.943 5.453 1.00 0.88 H new ATOM 0 HG21 VAL A 9 1.361 -4.708 6.546 1.00 0.89 H new ATOM 0 HG22 VAL A 9 2.529 -3.410 6.202 1.00 0.89 H new ATOM 0 HG23 VAL A 9 2.485 -4.163 7.814 1.00 0.89 H new ATOM 129 N LEU A 10 0.519 0.481 7.358 1.00 0.41 N ATOM 130 CA LEU A 10 -0.413 1.625 7.557 1.00 0.54 C ATOM 131 C LEU A 10 -1.812 1.257 7.055 1.00 0.42 C ATOM 132 O LEU A 10 -2.005 0.251 6.403 1.00 0.59 O ATOM 133 CB LEU A 10 0.172 2.760 6.720 1.00 0.83 C ATOM 134 CG LEU A 10 0.134 4.060 7.527 1.00 0.96 C ATOM 135 CD1 LEU A 10 1.546 4.413 7.996 1.00 1.49 C ATOM 136 CD2 LEU A 10 -0.407 5.188 6.647 1.00 1.30 C ATOM 0 H LEU A 10 1.038 0.491 6.480 1.00 0.41 H new ATOM 0 HA LEU A 10 -0.512 1.901 8.607 1.00 0.54 H new ATOM 0 HB2 LEU A 10 1.198 2.525 6.436 1.00 0.83 H new ATOM 0 HB3 LEU A 10 -0.396 2.876 5.797 1.00 0.83 H new ATOM 0 HG LEU A 10 -0.514 3.930 8.394 1.00 0.96 H new ATOM 0 HD11 LEU A 10 1.518 5.339 8.571 1.00 1.49 H new ATOM 0 HD12 LEU A 10 1.933 3.609 8.622 1.00 1.49 H new ATOM 0 HD13 LEU A 10 2.195 4.543 7.130 1.00 1.49 H new ATOM 0 HD21 LEU A 10 -0.435 6.115 7.220 1.00 1.30 H new ATOM 0 HD22 LEU A 10 0.242 5.316 5.780 1.00 1.30 H new ATOM 0 HD23 LEU A 10 -1.414 4.938 6.313 1.00 1.30 H new ATOM 148 N VAL A 11 -2.787 2.068 7.350 1.00 0.54 N ATOM 149 CA VAL A 11 -4.170 1.770 6.884 1.00 0.46 C ATOM 150 C VAL A 11 -4.818 3.050 6.353 1.00 0.43 C ATOM 151 O VAL A 11 -4.428 4.145 6.703 1.00 0.54 O ATOM 152 CB VAL A 11 -4.905 1.258 8.122 1.00 0.61 C ATOM 153 CG1 VAL A 11 -6.382 1.037 7.785 1.00 1.04 C ATOM 154 CG2 VAL A 11 -4.283 -0.065 8.573 1.00 1.39 C ATOM 0 H VAL A 11 -2.687 2.925 7.894 1.00 0.54 H new ATOM 0 HA VAL A 11 -4.195 1.039 6.076 1.00 0.46 H new ATOM 0 HB VAL A 11 -4.821 1.992 8.923 1.00 0.61 H new ATOM 0 HG11 VAL A 11 -6.906 0.672 8.668 1.00 1.04 H new ATOM 0 HG12 VAL A 11 -6.827 1.979 7.463 1.00 1.04 H new ATOM 0 HG13 VAL A 11 -6.466 0.303 6.984 1.00 1.04 H new ATOM 0 HG21 VAL A 11 -4.807 -0.431 9.456 1.00 1.39 H new ATOM 0 HG22 VAL A 11 -4.367 -0.799 7.771 1.00 1.39 H new ATOM 0 HG23 VAL A 11 -3.231 0.091 8.813 1.00 1.39 H new ATOM 164 N LEU A 12 -5.797 2.924 5.500 1.00 0.40 N ATOM 165 CA LEU A 12 -6.451 4.142 4.941 1.00 0.45 C ATOM 166 C LEU A 12 -7.898 4.245 5.424 1.00 0.44 C ATOM 167 O LEU A 12 -8.415 3.359 6.075 1.00 0.58 O ATOM 168 CB LEU A 12 -6.414 3.953 3.422 1.00 0.63 C ATOM 169 CG LEU A 12 -5.029 4.315 2.878 1.00 0.76 C ATOM 170 CD1 LEU A 12 -4.691 5.757 3.251 1.00 0.82 C ATOM 171 CD2 LEU A 12 -3.977 3.380 3.475 1.00 1.16 C ATOM 0 H LEU A 12 -6.171 2.036 5.167 1.00 0.40 H new ATOM 0 HA LEU A 12 -5.945 5.055 5.256 1.00 0.45 H new ATOM 0 HB2 LEU A 12 -6.653 2.920 3.171 1.00 0.63 H new ATOM 0 HB3 LEU A 12 -7.173 4.579 2.952 1.00 0.63 H new ATOM 0 HG LEU A 12 -5.034 4.210 1.793 1.00 0.76 H new ATOM 0 HD11 LEU A 12 -3.705 6.012 2.863 1.00 0.82 H new ATOM 0 HD12 LEU A 12 -5.435 6.428 2.821 1.00 0.82 H new ATOM 0 HD13 LEU A 12 -4.692 5.862 4.336 1.00 0.82 H new ATOM 0 HD21 LEU A 12 -2.994 3.642 3.084 1.00 1.16 H new ATOM 0 HD22 LEU A 12 -3.975 3.480 4.560 1.00 1.16 H new ATOM 0 HD23 LEU A 12 -4.211 2.350 3.206 1.00 1.16 H new ATOM 183 N ARG A 13 -8.554 5.323 5.099 1.00 0.47 N ATOM 184 CA ARG A 13 -9.971 5.499 5.523 1.00 0.55 C ATOM 185 C ARG A 13 -10.647 6.546 4.631 1.00 0.54 C ATOM 186 O ARG A 13 -9.990 7.369 4.026 1.00 0.73 O ATOM 187 CB ARG A 13 -9.897 5.985 6.971 1.00 0.69 C ATOM 188 CG ARG A 13 -10.280 4.847 7.916 1.00 1.19 C ATOM 189 CD ARG A 13 -11.447 5.290 8.800 1.00 1.28 C ATOM 190 NE ARG A 13 -11.298 4.498 10.054 1.00 1.86 N ATOM 191 CZ ARG A 13 -12.325 4.329 10.842 1.00 2.30 C ATOM 192 NH1 ARG A 13 -13.161 3.352 10.621 1.00 2.84 N ATOM 193 NH2 ARG A 13 -12.513 5.135 11.849 1.00 2.68 N ATOM 0 H ARG A 13 -8.168 6.094 4.555 1.00 0.47 H new ATOM 0 HA ARG A 13 -10.552 4.581 5.440 1.00 0.55 H new ATOM 0 HB2 ARG A 13 -8.889 6.334 7.196 1.00 0.69 H new ATOM 0 HB3 ARG A 13 -10.568 6.832 7.115 1.00 0.69 H new ATOM 0 HG2 ARG A 13 -10.559 3.963 7.343 1.00 1.19 H new ATOM 0 HG3 ARG A 13 -9.426 4.570 8.534 1.00 1.19 H new ATOM 0 HD2 ARG A 13 -11.406 6.360 9.001 1.00 1.28 H new ATOM 0 HD3 ARG A 13 -12.405 5.092 8.319 1.00 1.28 H new ATOM 0 HE ARG A 13 -10.395 4.089 10.296 1.00 1.86 H new ATOM 0 HH11 ARG A 13 -13.012 2.721 9.833 1.00 2.84 H new ATOM 0 HH12 ARG A 13 -13.964 3.219 11.236 1.00 2.84 H new ATOM 0 HH21 ARG A 13 -11.858 5.898 12.021 1.00 2.68 H new ATOM 0 HH22 ARG A 13 -13.315 5.003 12.465 1.00 2.68 H new ATOM 207 N LYS A 14 -11.952 6.514 4.541 1.00 0.58 N ATOM 208 CA LYS A 14 -12.677 7.504 3.682 1.00 0.63 C ATOM 209 C LYS A 14 -12.144 8.926 3.909 1.00 0.65 C ATOM 210 O LYS A 14 -12.167 9.756 3.023 1.00 0.83 O ATOM 211 CB LYS A 14 -14.140 7.407 4.121 1.00 0.74 C ATOM 212 CG LYS A 14 -15.021 7.086 2.911 1.00 1.26 C ATOM 213 CD LYS A 14 -15.868 8.312 2.557 1.00 1.92 C ATOM 214 CE LYS A 14 -17.305 8.092 3.038 1.00 2.26 C ATOM 215 NZ LYS A 14 -17.954 9.430 2.936 1.00 2.80 N ATOM 0 H LYS A 14 -12.550 5.844 5.026 1.00 0.58 H new ATOM 0 HA LYS A 14 -12.546 7.292 2.621 1.00 0.63 H new ATOM 0 HB2 LYS A 14 -14.252 6.633 4.880 1.00 0.74 H new ATOM 0 HB3 LYS A 14 -14.457 8.346 4.575 1.00 0.74 H new ATOM 0 HG2 LYS A 14 -14.401 6.802 2.061 1.00 1.26 H new ATOM 0 HG3 LYS A 14 -15.667 6.236 3.133 1.00 1.26 H new ATOM 0 HD2 LYS A 14 -15.449 9.204 3.023 1.00 1.92 H new ATOM 0 HD3 LYS A 14 -15.855 8.479 1.480 1.00 1.92 H new ATOM 0 HE2 LYS A 14 -17.820 7.355 2.421 1.00 2.26 H new ATOM 0 HE3 LYS A 14 -17.326 7.720 4.062 1.00 2.26 H new ATOM 0 HZ1 LYS A 14 -18.943 9.361 3.249 1.00 2.80 H new ATOM 0 HZ2 LYS A 14 -17.447 10.109 3.539 1.00 2.80 H new ATOM 0 HZ3 LYS A 14 -17.925 9.755 1.949 1.00 2.80 H new ATOM 229 N SER A 15 -11.657 9.207 5.087 1.00 0.68 N ATOM 230 CA SER A 15 -11.117 10.570 5.368 1.00 0.88 C ATOM 231 C SER A 15 -9.613 10.499 5.655 1.00 0.81 C ATOM 232 O SER A 15 -9.028 11.420 6.189 1.00 1.05 O ATOM 233 CB SER A 15 -11.869 11.032 6.612 1.00 1.10 C ATOM 234 OG SER A 15 -13.100 11.630 6.229 1.00 1.68 O ATOM 0 H SER A 15 -11.609 8.552 5.868 1.00 0.68 H new ATOM 0 HA SER A 15 -11.248 11.249 4.525 1.00 0.88 H new ATOM 0 HB2 SER A 15 -12.054 10.185 7.273 1.00 1.10 H new ATOM 0 HB3 SER A 15 -11.264 11.746 7.171 1.00 1.10 H new ATOM 0 HG SER A 15 -13.583 11.925 7.029 1.00 1.68 H new ATOM 240 N ASN A 16 -8.987 9.407 5.313 1.00 0.65 N ATOM 241 CA ASN A 16 -7.525 9.266 5.574 1.00 0.68 C ATOM 242 C ASN A 16 -6.774 8.909 4.283 1.00 0.55 C ATOM 243 O ASN A 16 -5.569 8.754 4.282 1.00 0.56 O ATOM 244 CB ASN A 16 -7.436 8.115 6.573 1.00 0.87 C ATOM 245 CG ASN A 16 -6.059 8.092 7.232 1.00 0.91 C ATOM 246 OD1 ASN A 16 -5.376 9.095 7.285 1.00 1.74 O ATOM 247 ND2 ASN A 16 -5.622 6.973 7.742 1.00 0.98 N ATOM 0 H ASN A 16 -9.425 8.604 4.863 1.00 0.65 H new ATOM 0 HA ASN A 16 -7.078 10.187 5.947 1.00 0.68 H new ATOM 0 HB2 ASN A 16 -8.209 8.224 7.334 1.00 0.87 H new ATOM 0 HB3 ASN A 16 -7.620 7.168 6.065 1.00 0.87 H new ATOM 0 HD21 ASN A 16 -4.705 6.939 8.187 1.00 0.98 H new ATOM 0 HD22 ASN A 16 -6.198 6.132 7.696 1.00 0.98 H new ATOM 254 N PHE A 17 -7.472 8.768 3.187 1.00 0.55 N ATOM 255 CA PHE A 17 -6.787 8.414 1.913 1.00 0.51 C ATOM 256 C PHE A 17 -5.712 9.448 1.573 1.00 0.46 C ATOM 257 O PHE A 17 -4.530 9.182 1.665 1.00 0.52 O ATOM 258 CB PHE A 17 -7.894 8.427 0.856 1.00 0.56 C ATOM 259 CG PHE A 17 -7.302 8.151 -0.508 1.00 0.62 C ATOM 260 CD1 PHE A 17 -6.310 7.174 -0.653 1.00 0.78 C ATOM 261 CD2 PHE A 17 -7.741 8.873 -1.627 1.00 0.79 C ATOM 262 CE1 PHE A 17 -5.756 6.919 -1.913 1.00 0.89 C ATOM 263 CE2 PHE A 17 -7.188 8.617 -2.886 1.00 0.90 C ATOM 264 CZ PHE A 17 -6.219 7.639 -3.039 1.00 0.87 C ATOM 0 H PHE A 17 -8.483 8.883 3.121 1.00 0.55 H new ATOM 0 HA PHE A 17 -6.284 7.449 1.973 1.00 0.51 H new ATOM 0 HB2 PHE A 17 -8.647 7.676 1.095 1.00 0.56 H new ATOM 0 HB3 PHE A 17 -8.398 9.394 0.855 1.00 0.56 H new ATOM 0 HD1 PHE A 17 -5.972 6.617 0.208 1.00 0.78 H new ATOM 0 HD2 PHE A 17 -8.506 9.627 -1.517 1.00 0.79 H new ATOM 0 HE1 PHE A 17 -4.979 6.177 -2.025 1.00 0.89 H new ATOM 0 HE2 PHE A 17 -7.518 9.185 -3.743 1.00 0.90 H new ATOM 0 HZ PHE A 17 -5.817 7.426 -4.018 1.00 0.87 H new ATOM 274 N ALA A 18 -6.113 10.625 1.184 1.00 0.52 N ATOM 275 CA ALA A 18 -5.115 11.678 0.838 1.00 0.66 C ATOM 276 C ALA A 18 -4.218 11.974 2.044 1.00 0.59 C ATOM 277 O ALA A 18 -3.153 12.544 1.912 1.00 0.75 O ATOM 278 CB ALA A 18 -5.949 12.907 0.475 1.00 0.84 C ATOM 0 H ALA A 18 -7.089 10.905 1.090 1.00 0.52 H new ATOM 0 HA ALA A 18 -4.459 11.374 0.022 1.00 0.66 H new ATOM 0 HB1 ALA A 18 -5.287 13.730 0.207 1.00 0.84 H new ATOM 0 HB2 ALA A 18 -6.595 12.671 -0.370 1.00 0.84 H new ATOM 0 HB3 ALA A 18 -6.561 13.197 1.329 1.00 0.84 H new ATOM 284 N GLU A 19 -4.643 11.594 3.218 1.00 0.46 N ATOM 285 CA GLU A 19 -3.819 11.854 4.434 1.00 0.49 C ATOM 286 C GLU A 19 -2.547 11.004 4.413 1.00 0.48 C ATOM 287 O GLU A 19 -1.446 11.518 4.412 1.00 0.56 O ATOM 288 CB GLU A 19 -4.715 11.445 5.602 1.00 0.55 C ATOM 289 CG GLU A 19 -4.065 11.870 6.920 1.00 0.69 C ATOM 290 CD GLU A 19 -5.142 12.023 7.994 1.00 1.04 C ATOM 291 OE1 GLU A 19 -6.192 11.420 7.842 1.00 1.78 O ATOM 292 OE2 GLU A 19 -4.900 12.740 8.951 1.00 1.66 O ATOM 0 H GLU A 19 -5.527 11.114 3.388 1.00 0.46 H new ATOM 0 HA GLU A 19 -3.499 12.894 4.501 1.00 0.49 H new ATOM 0 HB2 GLU A 19 -5.696 11.910 5.502 1.00 0.55 H new ATOM 0 HB3 GLU A 19 -4.872 10.366 5.593 1.00 0.55 H new ATOM 0 HG2 GLU A 19 -3.329 11.128 7.231 1.00 0.69 H new ATOM 0 HG3 GLU A 19 -3.532 12.812 6.788 1.00 0.69 H new ATOM 299 N ALA A 20 -2.689 9.707 4.404 1.00 0.45 N ATOM 300 CA ALA A 20 -1.484 8.827 4.389 1.00 0.53 C ATOM 301 C ALA A 20 -0.565 9.206 3.227 1.00 0.57 C ATOM 302 O ALA A 20 0.638 9.295 3.376 1.00 0.71 O ATOM 303 CB ALA A 20 -2.028 7.412 4.202 1.00 0.57 C ATOM 0 H ALA A 20 -3.584 9.219 4.406 1.00 0.45 H new ATOM 0 HA ALA A 20 -0.895 8.920 5.302 1.00 0.53 H new ATOM 0 HB1 ALA A 20 -1.200 6.704 4.181 1.00 0.57 H new ATOM 0 HB2 ALA A 20 -2.694 7.166 5.029 1.00 0.57 H new ATOM 0 HB3 ALA A 20 -2.579 7.355 3.263 1.00 0.57 H new ATOM 309 N LEU A 21 -1.122 9.427 2.072 1.00 0.55 N ATOM 310 CA LEU A 21 -0.285 9.799 0.898 1.00 0.69 C ATOM 311 C LEU A 21 0.510 11.072 1.194 1.00 0.75 C ATOM 312 O LEU A 21 1.682 11.170 0.893 1.00 0.92 O ATOM 313 CB LEU A 21 -1.284 10.036 -0.237 1.00 0.74 C ATOM 314 CG LEU A 21 -2.015 8.728 -0.562 1.00 0.84 C ATOM 315 CD1 LEU A 21 -2.942 8.945 -1.759 1.00 0.90 C ATOM 316 CD2 LEU A 21 -0.996 7.637 -0.903 1.00 1.44 C ATOM 0 H LEU A 21 -2.124 9.366 1.888 1.00 0.55 H new ATOM 0 HA LEU A 21 0.443 9.027 0.646 1.00 0.69 H new ATOM 0 HB2 LEU A 21 -2.002 10.803 0.052 1.00 0.74 H new ATOM 0 HB3 LEU A 21 -0.764 10.403 -1.122 1.00 0.74 H new ATOM 0 HG LEU A 21 -2.600 8.420 0.304 1.00 0.84 H new ATOM 0 HD11 LEU A 21 -3.462 8.015 -1.990 1.00 0.90 H new ATOM 0 HD12 LEU A 21 -3.672 9.718 -1.519 1.00 0.90 H new ATOM 0 HD13 LEU A 21 -2.354 9.256 -2.623 1.00 0.90 H new ATOM 0 HD21 LEU A 21 -1.520 6.709 -1.133 1.00 1.44 H new ATOM 0 HD22 LEU A 21 -0.408 7.946 -1.767 1.00 1.44 H new ATOM 0 HD23 LEU A 21 -0.334 7.478 -0.052 1.00 1.44 H new ATOM 328 N ALA A 22 -0.121 12.044 1.787 1.00 0.71 N ATOM 329 CA ALA A 22 0.595 13.312 2.109 1.00 0.85 C ATOM 330 C ALA A 22 1.563 13.102 3.281 1.00 0.89 C ATOM 331 O ALA A 22 2.412 13.928 3.548 1.00 1.08 O ATOM 332 CB ALA A 22 -0.506 14.301 2.495 1.00 1.00 C ATOM 0 H ALA A 22 -1.102 12.017 2.064 1.00 0.71 H new ATOM 0 HA ALA A 22 1.192 13.669 1.270 1.00 0.85 H new ATOM 0 HB1 ALA A 22 -0.059 15.263 2.747 1.00 1.00 H new ATOM 0 HB2 ALA A 22 -1.191 14.428 1.657 1.00 1.00 H new ATOM 0 HB3 ALA A 22 -1.053 13.918 3.356 1.00 1.00 H new ATOM 338 N ALA A 23 1.443 12.005 3.981 1.00 0.86 N ATOM 339 CA ALA A 23 2.360 11.753 5.130 1.00 0.93 C ATOM 340 C ALA A 23 3.813 11.709 4.650 1.00 0.85 C ATOM 341 O ALA A 23 4.662 12.425 5.141 1.00 0.95 O ATOM 342 CB ALA A 23 1.933 10.394 5.682 1.00 1.05 C ATOM 0 H ALA A 23 0.752 11.275 3.807 1.00 0.86 H new ATOM 0 HA ALA A 23 2.303 12.537 5.886 1.00 0.93 H new ATOM 0 HB1 ALA A 23 2.561 10.134 6.534 1.00 1.05 H new ATOM 0 HB2 ALA A 23 0.892 10.441 6.000 1.00 1.05 H new ATOM 0 HB3 ALA A 23 2.041 9.636 4.906 1.00 1.05 H new ATOM 348 N HIS A 24 4.106 10.872 3.693 1.00 0.83 N ATOM 349 CA HIS A 24 5.505 10.781 3.183 1.00 0.84 C ATOM 350 C HIS A 24 5.513 10.839 1.652 1.00 0.82 C ATOM 351 O HIS A 24 4.522 11.162 1.028 1.00 1.30 O ATOM 352 CB HIS A 24 6.016 9.426 3.670 1.00 0.95 C ATOM 353 CG HIS A 24 6.492 9.550 5.090 1.00 1.22 C ATOM 354 ND1 HIS A 24 7.701 10.146 5.415 1.00 1.80 N ATOM 355 CD2 HIS A 24 5.933 9.161 6.283 1.00 1.84 C ATOM 356 CE1 HIS A 24 7.829 10.099 6.754 1.00 2.04 C ATOM 357 NE2 HIS A 24 6.779 9.510 7.333 1.00 2.00 N ATOM 0 H HIS A 24 3.438 10.247 3.242 1.00 0.83 H new ATOM 0 HA HIS A 24 6.128 11.602 3.536 1.00 0.84 H new ATOM 0 HB2 HIS A 24 5.222 8.682 3.605 1.00 0.95 H new ATOM 0 HB3 HIS A 24 6.829 9.081 3.031 1.00 0.95 H new ATOM 0 HD2 HIS A 24 4.982 8.661 6.390 1.00 1.84 H new ATOM 0 HE1 HIS A 24 8.678 10.490 7.295 1.00 2.04 H new ATOM 0 HE2 HIS A 24 6.629 9.350 8.329 1.00 2.00 H new ATOM 365 N LYS A 25 6.625 10.528 1.043 1.00 0.72 N ATOM 366 CA LYS A 25 6.694 10.565 -0.447 1.00 0.69 C ATOM 367 C LYS A 25 6.096 9.282 -1.035 1.00 0.59 C ATOM 368 O LYS A 25 4.972 9.265 -1.494 1.00 0.68 O ATOM 369 CB LYS A 25 8.185 10.662 -0.774 1.00 0.81 C ATOM 370 CG LYS A 25 8.580 12.132 -0.921 1.00 1.20 C ATOM 371 CD LYS A 25 9.304 12.595 0.345 1.00 1.51 C ATOM 372 CE LYS A 25 8.338 13.394 1.221 1.00 2.06 C ATOM 373 NZ LYS A 25 8.373 14.777 0.668 1.00 2.47 N ATOM 0 H LYS A 25 7.488 10.250 1.511 1.00 0.72 H new ATOM 0 HA LYS A 25 6.131 11.399 -0.866 1.00 0.69 H new ATOM 0 HB2 LYS A 25 8.773 10.194 0.016 1.00 0.81 H new ATOM 0 HB3 LYS A 25 8.402 10.122 -1.696 1.00 0.81 H new ATOM 0 HG2 LYS A 25 9.226 12.261 -1.790 1.00 1.20 H new ATOM 0 HG3 LYS A 25 7.693 12.743 -1.090 1.00 1.20 H new ATOM 0 HD2 LYS A 25 9.684 11.734 0.895 1.00 1.51 H new ATOM 0 HD3 LYS A 25 10.165 13.209 0.081 1.00 1.51 H new ATOM 0 HE2 LYS A 25 7.331 12.978 1.180 1.00 2.06 H new ATOM 0 HE3 LYS A 25 8.647 13.378 2.266 1.00 2.06 H new ATOM 0 HZ1 LYS A 25 7.734 15.387 1.217 1.00 2.47 H new ATOM 0 HZ2 LYS A 25 9.342 15.150 0.726 1.00 2.47 H new ATOM 0 HZ3 LYS A 25 8.067 14.761 -0.326 1.00 2.47 H new ATOM 387 N TYR A 26 6.840 8.209 -1.022 1.00 0.52 N ATOM 388 CA TYR A 26 6.311 6.931 -1.578 1.00 0.48 C ATOM 389 C TYR A 26 5.300 6.315 -0.609 1.00 0.46 C ATOM 390 O TYR A 26 5.604 6.057 0.539 1.00 0.53 O ATOM 391 CB TYR A 26 7.535 6.023 -1.720 1.00 0.56 C ATOM 392 CG TYR A 26 8.574 6.704 -2.578 1.00 0.65 C ATOM 393 CD1 TYR A 26 8.196 7.325 -3.775 1.00 0.75 C ATOM 394 CD2 TYR A 26 9.917 6.716 -2.178 1.00 1.08 C ATOM 395 CE1 TYR A 26 9.158 7.957 -4.570 1.00 0.87 C ATOM 396 CE2 TYR A 26 10.879 7.348 -2.973 1.00 1.31 C ATOM 397 CZ TYR A 26 10.504 7.965 -4.169 1.00 1.08 C ATOM 398 OH TYR A 26 11.450 8.591 -4.956 1.00 1.33 O ATOM 0 H TYR A 26 7.789 8.162 -0.651 1.00 0.52 H new ATOM 0 HA TYR A 26 5.797 7.075 -2.529 1.00 0.48 H new ATOM 0 HB2 TYR A 26 7.950 5.799 -0.737 1.00 0.56 H new ATOM 0 HB3 TYR A 26 7.245 5.072 -2.168 1.00 0.56 H new ATOM 0 HD1 TYR A 26 7.161 7.316 -4.084 1.00 0.75 H new ATOM 0 HD2 TYR A 26 10.210 6.237 -1.255 1.00 1.08 H new ATOM 0 HE1 TYR A 26 8.866 8.438 -5.492 1.00 0.87 H new ATOM 0 HE2 TYR A 26 11.913 7.359 -2.662 1.00 1.31 H new ATOM 0 HH TYR A 26 12.332 8.507 -4.537 1.00 1.33 H new ATOM 408 N LEU A 27 4.100 6.080 -1.061 1.00 0.46 N ATOM 409 CA LEU A 27 3.071 5.482 -0.163 1.00 0.45 C ATOM 410 C LEU A 27 2.347 4.339 -0.879 1.00 0.40 C ATOM 411 O LEU A 27 1.802 4.512 -1.951 1.00 0.50 O ATOM 412 CB LEU A 27 2.103 6.626 0.144 1.00 0.51 C ATOM 413 CG LEU A 27 1.888 6.722 1.655 1.00 0.77 C ATOM 414 CD1 LEU A 27 1.267 5.420 2.164 1.00 1.93 C ATOM 415 CD2 LEU A 27 3.231 6.953 2.353 1.00 0.66 C ATOM 0 H LEU A 27 3.787 6.276 -2.012 1.00 0.46 H new ATOM 0 HA LEU A 27 3.505 5.062 0.745 1.00 0.45 H new ATOM 0 HB2 LEU A 27 2.502 7.566 -0.238 1.00 0.51 H new ATOM 0 HB3 LEU A 27 1.151 6.456 -0.359 1.00 0.51 H new ATOM 0 HG LEU A 27 1.220 7.555 1.873 1.00 0.77 H new ATOM 0 HD11 LEU A 27 1.113 5.487 3.241 1.00 1.93 H new ATOM 0 HD12 LEU A 27 0.309 5.256 1.670 1.00 1.93 H new ATOM 0 HD13 LEU A 27 1.936 4.588 1.944 1.00 1.93 H new ATOM 0 HD21 LEU A 27 3.075 7.021 3.430 1.00 0.66 H new ATOM 0 HD22 LEU A 27 3.902 6.122 2.136 1.00 0.66 H new ATOM 0 HD23 LEU A 27 3.674 7.881 1.991 1.00 0.66 H new ATOM 427 N LEU A 28 2.342 3.172 -0.297 1.00 0.33 N ATOM 428 CA LEU A 28 1.656 2.018 -0.950 1.00 0.32 C ATOM 429 C LEU A 28 0.270 1.807 -0.336 1.00 0.29 C ATOM 430 O LEU A 28 0.106 1.813 0.866 1.00 0.35 O ATOM 431 CB LEU A 28 2.563 0.811 -0.667 1.00 0.40 C ATOM 432 CG LEU A 28 2.575 -0.147 -1.861 1.00 0.53 C ATOM 433 CD1 LEU A 28 1.183 -0.750 -2.037 1.00 1.12 C ATOM 434 CD2 LEU A 28 2.979 0.604 -3.130 1.00 0.73 C ATOM 0 H LEU A 28 2.782 2.966 0.600 1.00 0.33 H new ATOM 0 HA LEU A 28 1.505 2.175 -2.018 1.00 0.32 H new ATOM 0 HB2 LEU A 28 3.577 1.152 -0.458 1.00 0.40 H new ATOM 0 HB3 LEU A 28 2.213 0.287 0.223 1.00 0.40 H new ATOM 0 HG LEU A 28 3.297 -0.943 -1.679 1.00 0.53 H new ATOM 0 HD11 LEU A 28 1.187 -1.433 -2.886 1.00 1.12 H new ATOM 0 HD12 LEU A 28 0.906 -1.295 -1.135 1.00 1.12 H new ATOM 0 HD13 LEU A 28 0.461 0.047 -2.216 1.00 1.12 H new ATOM 0 HD21 LEU A 28 2.985 -0.085 -3.974 1.00 0.73 H new ATOM 0 HD22 LEU A 28 2.266 1.406 -3.321 1.00 0.73 H new ATOM 0 HD23 LEU A 28 3.975 1.028 -3.001 1.00 0.73 H new ATOM 446 N VAL A 29 -0.731 1.619 -1.153 1.00 0.32 N ATOM 447 CA VAL A 29 -2.103 1.402 -0.612 1.00 0.32 C ATOM 448 C VAL A 29 -2.761 0.214 -1.319 1.00 0.34 C ATOM 449 O VAL A 29 -2.810 0.152 -2.531 1.00 0.47 O ATOM 450 CB VAL A 29 -2.862 2.694 -0.910 1.00 0.40 C ATOM 451 CG1 VAL A 29 -4.264 2.609 -0.304 1.00 0.37 C ATOM 452 CG2 VAL A 29 -2.113 3.879 -0.298 1.00 0.77 C ATOM 0 H VAL A 29 -0.658 1.606 -2.170 1.00 0.32 H new ATOM 0 HA VAL A 29 -2.097 1.177 0.454 1.00 0.32 H new ATOM 0 HB VAL A 29 -2.938 2.832 -1.989 1.00 0.40 H new ATOM 0 HG11 VAL A 29 -4.808 3.530 -0.515 1.00 0.37 H new ATOM 0 HG12 VAL A 29 -4.798 1.764 -0.739 1.00 0.37 H new ATOM 0 HG13 VAL A 29 -4.186 2.473 0.775 1.00 0.37 H new ATOM 0 HG21 VAL A 29 -2.655 4.801 -0.511 1.00 0.77 H new ATOM 0 HG22 VAL A 29 -2.037 3.743 0.781 1.00 0.77 H new ATOM 0 HG23 VAL A 29 -1.113 3.938 -0.728 1.00 0.77 H new ATOM 462 N GLU A 30 -3.263 -0.733 -0.573 1.00 0.32 N ATOM 463 CA GLU A 30 -3.911 -1.916 -1.211 1.00 0.39 C ATOM 464 C GLU A 30 -5.380 -2.003 -0.776 1.00 0.36 C ATOM 465 O GLU A 30 -5.715 -1.742 0.358 1.00 0.42 O ATOM 466 CB GLU A 30 -3.089 -3.115 -0.706 1.00 0.52 C ATOM 467 CG GLU A 30 -3.887 -4.423 -0.821 1.00 0.64 C ATOM 468 CD GLU A 30 -2.987 -5.611 -0.469 1.00 0.89 C ATOM 469 OE1 GLU A 30 -1.899 -5.381 0.036 1.00 1.60 O ATOM 470 OE2 GLU A 30 -3.400 -6.734 -0.709 1.00 1.48 O ATOM 0 H GLU A 30 -3.253 -0.739 0.447 1.00 0.32 H new ATOM 0 HA GLU A 30 -3.923 -1.871 -2.300 1.00 0.39 H new ATOM 0 HB2 GLU A 30 -2.167 -3.196 -1.282 1.00 0.52 H new ATOM 0 HB3 GLU A 30 -2.802 -2.951 0.333 1.00 0.52 H new ATOM 0 HG2 GLU A 30 -4.747 -4.395 -0.152 1.00 0.64 H new ATOM 0 HG3 GLU A 30 -4.275 -4.536 -1.834 1.00 0.64 H new ATOM 477 N PHE A 31 -6.255 -2.369 -1.671 1.00 0.35 N ATOM 478 CA PHE A 31 -7.693 -2.470 -1.308 1.00 0.36 C ATOM 479 C PHE A 31 -8.145 -3.931 -1.344 1.00 0.39 C ATOM 480 O PHE A 31 -8.114 -4.572 -2.376 1.00 0.49 O ATOM 481 CB PHE A 31 -8.417 -1.663 -2.383 1.00 0.41 C ATOM 482 CG PHE A 31 -8.117 -0.195 -2.201 1.00 0.38 C ATOM 483 CD1 PHE A 31 -6.893 0.330 -2.633 1.00 0.45 C ATOM 484 CD2 PHE A 31 -9.065 0.641 -1.600 1.00 0.53 C ATOM 485 CE1 PHE A 31 -6.617 1.692 -2.463 1.00 0.52 C ATOM 486 CE2 PHE A 31 -8.788 2.003 -1.430 1.00 0.59 C ATOM 487 CZ PHE A 31 -7.559 2.528 -1.869 1.00 0.53 C ATOM 0 H PHE A 31 -6.034 -2.603 -2.639 1.00 0.35 H new ATOM 0 HA PHE A 31 -7.897 -2.099 -0.304 1.00 0.36 H new ATOM 0 HB2 PHE A 31 -8.099 -1.990 -3.373 1.00 0.41 H new ATOM 0 HB3 PHE A 31 -9.491 -1.836 -2.320 1.00 0.41 H new ATOM 0 HD1 PHE A 31 -6.162 -0.315 -3.097 1.00 0.45 H new ATOM 0 HD2 PHE A 31 -10.009 0.236 -1.268 1.00 0.53 H new ATOM 0 HE1 PHE A 31 -5.671 2.095 -2.793 1.00 0.52 H new ATOM 0 HE2 PHE A 31 -9.516 2.649 -0.963 1.00 0.59 H new ATOM 0 HZ PHE A 31 -7.346 3.580 -1.745 1.00 0.53 H new ATOM 497 N TYR A 32 -8.574 -4.466 -0.232 1.00 0.37 N ATOM 498 CA TYR A 32 -9.032 -5.884 -0.229 1.00 0.44 C ATOM 499 C TYR A 32 -10.214 -6.071 0.719 1.00 0.40 C ATOM 500 O TYR A 32 -10.716 -5.135 1.309 1.00 0.45 O ATOM 501 CB TYR A 32 -7.832 -6.715 0.242 1.00 0.54 C ATOM 502 CG TYR A 32 -7.528 -6.431 1.697 1.00 0.54 C ATOM 503 CD1 TYR A 32 -7.043 -5.172 2.072 1.00 0.58 C ATOM 504 CD2 TYR A 32 -7.722 -7.423 2.666 1.00 0.66 C ATOM 505 CE1 TYR A 32 -6.754 -4.904 3.414 1.00 0.67 C ATOM 506 CE2 TYR A 32 -7.431 -7.153 4.009 1.00 0.79 C ATOM 507 CZ TYR A 32 -6.985 -5.915 4.394 1.00 0.77 C ATOM 508 OH TYR A 32 -6.661 -5.630 5.707 1.00 0.94 O ATOM 0 H TYR A 32 -8.627 -3.987 0.667 1.00 0.37 H new ATOM 0 HA TYR A 32 -9.369 -6.191 -1.219 1.00 0.44 H new ATOM 0 HB2 TYR A 32 -8.043 -7.776 0.109 1.00 0.54 H new ATOM 0 HB3 TYR A 32 -6.960 -6.484 -0.370 1.00 0.54 H new ATOM 0 HD1 TYR A 32 -6.892 -4.407 1.324 1.00 0.58 H new ATOM 0 HD2 TYR A 32 -8.095 -8.395 2.378 1.00 0.66 H new ATOM 0 HE1 TYR A 32 -6.360 -3.942 3.705 1.00 0.67 H new ATOM 0 HE2 TYR A 32 -7.559 -7.929 4.750 1.00 0.79 H new ATOM 0 HH TYR A 32 -6.869 -6.404 6.271 1.00 0.94 H new ATOM 518 N ALA A 33 -10.645 -7.286 0.871 1.00 0.40 N ATOM 519 CA ALA A 33 -11.785 -7.570 1.787 1.00 0.44 C ATOM 520 C ALA A 33 -11.398 -8.693 2.757 1.00 0.53 C ATOM 521 O ALA A 33 -10.538 -9.495 2.456 1.00 0.56 O ATOM 522 CB ALA A 33 -12.928 -8.017 0.876 1.00 0.49 C ATOM 0 H ALA A 33 -10.257 -8.102 0.399 1.00 0.40 H new ATOM 0 HA ALA A 33 -12.065 -6.704 2.387 1.00 0.44 H new ATOM 0 HB1 ALA A 33 -13.807 -8.245 1.480 1.00 0.49 H new ATOM 0 HB2 ALA A 33 -13.167 -7.218 0.174 1.00 0.49 H new ATOM 0 HB3 ALA A 33 -12.626 -8.907 0.324 1.00 0.49 H new ATOM 528 N PRO A 34 -12.054 -8.725 3.891 1.00 0.63 N ATOM 529 CA PRO A 34 -11.767 -9.779 4.895 1.00 0.78 C ATOM 530 C PRO A 34 -12.217 -11.146 4.370 1.00 0.82 C ATOM 531 O PRO A 34 -11.802 -12.177 4.857 1.00 0.96 O ATOM 532 CB PRO A 34 -12.591 -9.355 6.108 1.00 0.90 C ATOM 533 CG PRO A 34 -13.690 -8.513 5.543 1.00 0.81 C ATOM 534 CD PRO A 34 -13.119 -7.817 4.339 1.00 0.66 C ATOM 0 HA PRO A 34 -10.707 -9.878 5.127 1.00 0.78 H new ATOM 0 HB2 PRO A 34 -12.988 -10.220 6.639 1.00 0.90 H new ATOM 0 HB3 PRO A 34 -11.987 -8.793 6.820 1.00 0.90 H new ATOM 0 HG2 PRO A 34 -14.546 -9.128 5.266 1.00 0.81 H new ATOM 0 HG3 PRO A 34 -14.042 -7.790 6.279 1.00 0.81 H new ATOM 0 HD2 PRO A 34 -13.873 -7.670 3.565 1.00 0.66 H new ATOM 0 HD3 PRO A 34 -12.727 -6.832 4.593 1.00 0.66 H new ATOM 542 N TRP A 35 -13.060 -11.158 3.372 1.00 0.74 N ATOM 543 CA TRP A 35 -13.532 -12.455 2.810 1.00 0.83 C ATOM 544 C TRP A 35 -12.829 -12.742 1.477 1.00 0.78 C ATOM 545 O TRP A 35 -12.888 -13.842 0.963 1.00 0.92 O ATOM 546 CB TRP A 35 -15.036 -12.271 2.597 1.00 0.91 C ATOM 547 CG TRP A 35 -15.275 -11.110 1.686 1.00 0.87 C ATOM 548 CD1 TRP A 35 -15.593 -9.858 2.089 1.00 0.84 C ATOM 549 CD2 TRP A 35 -15.222 -11.070 0.229 1.00 1.25 C ATOM 550 NE1 TRP A 35 -15.736 -9.052 0.973 1.00 0.85 N ATOM 551 CE2 TRP A 35 -15.519 -9.753 -0.195 1.00 1.19 C ATOM 552 CE3 TRP A 35 -14.949 -12.038 -0.753 1.00 1.84 C ATOM 553 CZ2 TRP A 35 -15.543 -9.409 -1.547 1.00 1.66 C ATOM 554 CZ3 TRP A 35 -14.972 -11.695 -2.115 1.00 2.36 C ATOM 555 CH2 TRP A 35 -15.269 -10.383 -2.511 1.00 2.26 C ATOM 0 H TRP A 35 -13.441 -10.326 2.922 1.00 0.74 H new ATOM 0 HA TRP A 35 -13.315 -13.295 3.470 1.00 0.83 H new ATOM 0 HB2 TRP A 35 -15.466 -13.176 2.169 1.00 0.91 H new ATOM 0 HB3 TRP A 35 -15.531 -12.104 3.553 1.00 0.91 H new ATOM 0 HD1 TRP A 35 -15.715 -9.540 3.114 1.00 0.84 H new ATOM 0 HE1 TRP A 35 -15.973 -8.061 1.010 1.00 0.85 H new ATOM 0 HE3 TRP A 35 -14.720 -13.052 -0.459 1.00 1.84 H new ATOM 0 HZ2 TRP A 35 -15.772 -8.397 -1.846 1.00 1.66 H new ATOM 0 HZ3 TRP A 35 -14.760 -12.446 -2.861 1.00 2.36 H new ATOM 0 HH2 TRP A 35 -15.286 -10.126 -3.560 1.00 2.26 H new ATOM 566 N CYS A 36 -12.161 -11.767 0.911 1.00 0.65 N ATOM 567 CA CYS A 36 -11.459 -12.000 -0.386 1.00 0.67 C ATOM 568 C CYS A 36 -10.574 -13.247 -0.296 1.00 0.84 C ATOM 569 O CYS A 36 -9.819 -13.419 0.640 1.00 1.63 O ATOM 570 CB CYS A 36 -10.605 -10.747 -0.600 1.00 0.58 C ATOM 571 SG CYS A 36 -9.630 -10.930 -2.114 1.00 1.07 S ATOM 0 H CYS A 36 -12.072 -10.824 1.290 1.00 0.65 H new ATOM 0 HA CYS A 36 -12.154 -12.167 -1.209 1.00 0.67 H new ATOM 0 HB2 CYS A 36 -11.244 -9.867 -0.671 1.00 0.58 H new ATOM 0 HB3 CYS A 36 -9.945 -10.594 0.254 1.00 0.58 H new ATOM 576 N GLY A 37 -10.659 -14.116 -1.266 1.00 0.96 N ATOM 577 CA GLY A 37 -9.822 -15.349 -1.237 1.00 1.08 C ATOM 578 C GLY A 37 -8.448 -15.042 -1.836 1.00 1.00 C ATOM 579 O GLY A 37 -8.309 -14.188 -2.689 1.00 1.83 O ATOM 0 H GLY A 37 -11.271 -14.026 -2.077 1.00 0.96 H new ATOM 0 HA2 GLY A 37 -9.713 -15.705 -0.212 1.00 1.08 H new ATOM 0 HA3 GLY A 37 -10.308 -16.145 -1.801 1.00 1.08 H new ATOM 583 N HIS A 38 -7.428 -15.734 -1.396 1.00 0.89 N ATOM 584 CA HIS A 38 -6.055 -15.485 -1.938 1.00 0.97 C ATOM 585 C HIS A 38 -5.645 -14.025 -1.722 1.00 0.88 C ATOM 586 O HIS A 38 -4.725 -13.533 -2.344 1.00 1.13 O ATOM 587 CB HIS A 38 -6.152 -15.789 -3.432 1.00 1.32 C ATOM 588 CG HIS A 38 -5.010 -16.677 -3.844 1.00 1.72 C ATOM 589 ND1 HIS A 38 -4.780 -17.908 -3.252 1.00 2.39 N ATOM 590 CD2 HIS A 38 -4.027 -16.525 -4.790 1.00 2.35 C ATOM 591 CE1 HIS A 38 -3.696 -18.445 -3.842 1.00 2.85 C ATOM 592 NE2 HIS A 38 -3.199 -17.643 -4.787 1.00 2.87 N ATOM 0 H HIS A 38 -7.485 -16.462 -0.684 1.00 0.89 H new ATOM 0 HA HIS A 38 -5.307 -16.102 -1.440 1.00 0.97 H new ATOM 0 HB2 HIS A 38 -7.102 -16.276 -3.653 1.00 1.32 H new ATOM 0 HB3 HIS A 38 -6.129 -14.861 -4.004 1.00 1.32 H new ATOM 0 HD2 HIS A 38 -3.914 -15.668 -5.438 1.00 2.35 H new ATOM 0 HE1 HIS A 38 -3.279 -19.407 -3.583 1.00 2.85 H new ATOM 0 HE2 HIS A 38 -2.386 -17.814 -5.380 1.00 2.87 H new ATOM 600 N CYS A 39 -6.315 -13.329 -0.847 1.00 0.79 N ATOM 601 CA CYS A 39 -5.958 -11.903 -0.597 1.00 0.88 C ATOM 602 C CYS A 39 -4.964 -11.803 0.564 1.00 0.82 C ATOM 603 O CYS A 39 -4.262 -10.822 0.709 1.00 1.00 O ATOM 604 CB CYS A 39 -7.279 -11.222 -0.238 1.00 1.08 C ATOM 605 SG CYS A 39 -7.822 -10.190 -1.622 1.00 1.00 S ATOM 0 H CYS A 39 -7.094 -13.685 -0.294 1.00 0.79 H new ATOM 0 HA CYS A 39 -5.483 -11.437 -1.460 1.00 0.88 H new ATOM 0 HB2 CYS A 39 -8.037 -11.972 -0.010 1.00 1.08 H new ATOM 0 HB3 CYS A 39 -7.155 -10.613 0.657 1.00 1.08 H new ATOM 610 N LYS A 40 -4.896 -12.813 1.390 1.00 0.78 N ATOM 611 CA LYS A 40 -3.945 -12.774 2.539 1.00 0.94 C ATOM 612 C LYS A 40 -2.620 -13.460 2.174 1.00 0.84 C ATOM 613 O LYS A 40 -1.682 -13.460 2.946 1.00 0.94 O ATOM 614 CB LYS A 40 -4.651 -13.540 3.660 1.00 1.21 C ATOM 615 CG LYS A 40 -5.924 -12.794 4.064 1.00 1.56 C ATOM 616 CD LYS A 40 -6.837 -13.734 4.854 1.00 2.11 C ATOM 617 CE LYS A 40 -6.374 -13.790 6.312 1.00 2.72 C ATOM 618 NZ LYS A 40 -6.864 -15.100 6.821 1.00 3.29 N ATOM 0 H LYS A 40 -5.457 -13.662 1.319 1.00 0.78 H new ATOM 0 HA LYS A 40 -3.697 -11.753 2.828 1.00 0.94 H new ATOM 0 HB2 LYS A 40 -4.898 -14.548 3.327 1.00 1.21 H new ATOM 0 HB3 LYS A 40 -3.988 -13.642 4.519 1.00 1.21 H new ATOM 0 HG2 LYS A 40 -5.671 -11.922 4.668 1.00 1.56 H new ATOM 0 HG3 LYS A 40 -6.441 -12.428 3.177 1.00 1.56 H new ATOM 0 HD2 LYS A 40 -7.868 -13.385 4.802 1.00 2.11 H new ATOM 0 HD3 LYS A 40 -6.816 -14.732 4.416 1.00 2.11 H new ATOM 0 HE2 LYS A 40 -5.289 -13.719 6.385 1.00 2.72 H new ATOM 0 HE3 LYS A 40 -6.787 -12.963 6.889 1.00 2.72 H new ATOM 0 HZ1 LYS A 40 -6.585 -15.212 7.817 1.00 3.29 H new ATOM 0 HZ2 LYS A 40 -7.901 -15.136 6.746 1.00 3.29 H new ATOM 0 HZ3 LYS A 40 -6.449 -15.869 6.257 1.00 3.29 H new ATOM 632 N ALA A 41 -2.532 -14.047 1.008 1.00 0.77 N ATOM 633 CA ALA A 41 -1.265 -14.726 0.611 1.00 0.86 C ATOM 634 C ALA A 41 -0.089 -13.750 0.696 1.00 0.75 C ATOM 635 O ALA A 41 1.054 -14.147 0.798 1.00 0.90 O ATOM 636 CB ALA A 41 -1.490 -15.170 -0.835 1.00 0.93 C ATOM 0 H ALA A 41 -3.281 -14.085 0.317 1.00 0.77 H new ATOM 0 HA ALA A 41 -1.026 -15.566 1.264 1.00 0.86 H new ATOM 0 HB1 ALA A 41 -0.599 -15.680 -1.202 1.00 0.93 H new ATOM 0 HB2 ALA A 41 -2.341 -15.850 -0.879 1.00 0.93 H new ATOM 0 HB3 ALA A 41 -1.690 -14.297 -1.457 1.00 0.93 H new ATOM 642 N LEU A 42 -0.360 -12.474 0.654 1.00 0.65 N ATOM 643 CA LEU A 42 0.743 -11.474 0.732 1.00 0.67 C ATOM 644 C LEU A 42 0.559 -10.583 1.965 1.00 0.63 C ATOM 645 O LEU A 42 1.018 -9.463 2.004 1.00 0.70 O ATOM 646 CB LEU A 42 0.622 -10.649 -0.550 1.00 0.82 C ATOM 647 CG LEU A 42 1.969 -9.996 -0.865 1.00 0.86 C ATOM 648 CD1 LEU A 42 2.847 -10.982 -1.638 1.00 1.24 C ATOM 649 CD2 LEU A 42 1.742 -8.743 -1.714 1.00 1.37 C ATOM 0 H LEU A 42 -1.297 -12.081 0.569 1.00 0.65 H new ATOM 0 HA LEU A 42 1.723 -11.944 0.822 1.00 0.67 H new ATOM 0 HB2 LEU A 42 0.313 -11.287 -1.378 1.00 0.82 H new ATOM 0 HB3 LEU A 42 -0.146 -9.885 -0.432 1.00 0.82 H new ATOM 0 HG LEU A 42 2.465 -9.721 0.066 1.00 0.86 H new ATOM 0 HD11 LEU A 42 3.807 -10.516 -1.862 1.00 1.24 H new ATOM 0 HD12 LEU A 42 3.009 -11.875 -1.035 1.00 1.24 H new ATOM 0 HD13 LEU A 42 2.351 -11.258 -2.569 1.00 1.24 H new ATOM 0 HD21 LEU A 42 2.701 -8.277 -1.939 1.00 1.37 H new ATOM 0 HD22 LEU A 42 1.246 -9.019 -2.644 1.00 1.37 H new ATOM 0 HD23 LEU A 42 1.117 -8.039 -1.164 1.00 1.37 H new ATOM 661 N ALA A 43 -0.111 -11.078 2.969 1.00 0.71 N ATOM 662 CA ALA A 43 -0.331 -10.266 4.203 1.00 0.73 C ATOM 663 C ALA A 43 0.957 -10.151 5.035 1.00 0.67 C ATOM 664 O ALA A 43 1.295 -9.077 5.492 1.00 0.65 O ATOM 665 CB ALA A 43 -1.403 -11.025 4.986 1.00 0.88 C ATOM 0 H ALA A 43 -0.518 -12.013 2.990 1.00 0.71 H new ATOM 0 HA ALA A 43 -0.631 -9.246 3.963 1.00 0.73 H new ATOM 0 HB1 ALA A 43 -1.624 -10.492 5.911 1.00 0.88 H new ATOM 0 HB2 ALA A 43 -2.309 -11.098 4.385 1.00 0.88 H new ATOM 0 HB3 ALA A 43 -1.041 -12.026 5.221 1.00 0.88 H new ATOM 671 N PRO A 44 1.639 -11.258 5.217 1.00 0.69 N ATOM 672 CA PRO A 44 2.881 -11.264 6.002 1.00 0.70 C ATOM 673 C PRO A 44 4.086 -11.018 5.094 1.00 0.59 C ATOM 674 O PRO A 44 5.222 -11.136 5.507 1.00 0.65 O ATOM 675 CB PRO A 44 2.911 -12.671 6.589 1.00 0.83 C ATOM 676 CG PRO A 44 2.085 -13.517 5.656 1.00 0.84 C ATOM 677 CD PRO A 44 1.333 -12.596 4.721 1.00 0.76 C ATOM 0 HA PRO A 44 2.919 -10.486 6.765 1.00 0.70 H new ATOM 0 HB2 PRO A 44 3.932 -13.046 6.657 1.00 0.83 H new ATOM 0 HB3 PRO A 44 2.499 -12.684 7.598 1.00 0.83 H new ATOM 0 HG2 PRO A 44 2.725 -14.193 5.089 1.00 0.84 H new ATOM 0 HG3 PRO A 44 1.388 -14.136 6.221 1.00 0.84 H new ATOM 0 HD2 PRO A 44 1.659 -12.723 3.689 1.00 0.76 H new ATOM 0 HD3 PRO A 44 0.261 -12.794 4.743 1.00 0.76 H new ATOM 685 N GLU A 45 3.846 -10.641 3.869 1.00 0.53 N ATOM 686 CA GLU A 45 4.970 -10.348 2.947 1.00 0.46 C ATOM 687 C GLU A 45 4.895 -8.868 2.627 1.00 0.41 C ATOM 688 O GLU A 45 5.866 -8.144 2.681 1.00 0.47 O ATOM 689 CB GLU A 45 4.709 -11.195 1.702 1.00 0.48 C ATOM 690 CG GLU A 45 4.628 -12.670 2.097 1.00 0.61 C ATOM 691 CD GLU A 45 3.199 -13.176 1.891 1.00 1.12 C ATOM 692 OE1 GLU A 45 2.280 -12.403 2.107 1.00 1.90 O ATOM 693 OE2 GLU A 45 3.047 -14.328 1.521 1.00 1.83 O ATOM 0 H GLU A 45 2.915 -10.524 3.469 1.00 0.53 H new ATOM 0 HA GLU A 45 5.956 -10.574 3.354 1.00 0.46 H new ATOM 0 HB2 GLU A 45 3.779 -10.884 1.225 1.00 0.48 H new ATOM 0 HB3 GLU A 45 5.506 -11.046 0.974 1.00 0.48 H new ATOM 0 HG2 GLU A 45 5.323 -13.257 1.496 1.00 0.61 H new ATOM 0 HG3 GLU A 45 4.923 -12.795 3.139 1.00 0.61 H new ATOM 700 N TYR A 46 3.714 -8.414 2.340 1.00 0.43 N ATOM 701 CA TYR A 46 3.510 -6.978 2.058 1.00 0.48 C ATOM 702 C TYR A 46 3.716 -6.181 3.353 1.00 0.52 C ATOM 703 O TYR A 46 3.976 -4.995 3.329 1.00 0.69 O ATOM 704 CB TYR A 46 2.057 -6.897 1.587 1.00 0.64 C ATOM 705 CG TYR A 46 1.647 -5.460 1.434 1.00 0.72 C ATOM 706 CD1 TYR A 46 1.330 -4.709 2.564 1.00 1.03 C ATOM 707 CD2 TYR A 46 1.578 -4.887 0.164 1.00 1.02 C ATOM 708 CE1 TYR A 46 0.942 -3.370 2.427 1.00 1.39 C ATOM 709 CE2 TYR A 46 1.192 -3.552 0.021 1.00 1.38 C ATOM 710 CZ TYR A 46 0.874 -2.791 1.154 1.00 1.50 C ATOM 711 OH TYR A 46 0.493 -1.472 1.016 1.00 1.95 O ATOM 0 H TYR A 46 2.871 -8.986 2.289 1.00 0.43 H new ATOM 0 HA TYR A 46 4.200 -6.571 1.318 1.00 0.48 H new ATOM 0 HB2 TYR A 46 1.944 -7.419 0.637 1.00 0.64 H new ATOM 0 HB3 TYR A 46 1.405 -7.396 2.304 1.00 0.64 H new ATOM 0 HD1 TYR A 46 1.383 -5.159 3.544 1.00 1.03 H new ATOM 0 HD2 TYR A 46 1.823 -5.475 -0.708 1.00 1.02 H new ATOM 0 HE1 TYR A 46 0.696 -2.786 3.301 1.00 1.39 H new ATOM 0 HE2 TYR A 46 1.139 -3.107 -0.962 1.00 1.38 H new ATOM 0 HH TYR A 46 -0.480 -1.401 1.111 1.00 1.95 H new ATOM 721 N ALA A 47 3.599 -6.829 4.488 1.00 0.53 N ATOM 722 CA ALA A 47 3.784 -6.107 5.779 1.00 0.62 C ATOM 723 C ALA A 47 5.224 -6.259 6.272 1.00 0.58 C ATOM 724 O ALA A 47 5.803 -5.343 6.821 1.00 0.68 O ATOM 725 CB ALA A 47 2.811 -6.777 6.749 1.00 0.73 C ATOM 0 H ALA A 47 3.384 -7.823 4.572 1.00 0.53 H new ATOM 0 HA ALA A 47 3.595 -5.038 5.684 1.00 0.62 H new ATOM 0 HB1 ALA A 47 2.886 -6.301 7.727 1.00 0.73 H new ATOM 0 HB2 ALA A 47 1.793 -6.674 6.373 1.00 0.73 H new ATOM 0 HB3 ALA A 47 3.059 -7.835 6.840 1.00 0.73 H new ATOM 731 N LYS A 48 5.807 -7.409 6.080 1.00 0.51 N ATOM 732 CA LYS A 48 7.211 -7.615 6.538 1.00 0.55 C ATOM 733 C LYS A 48 8.136 -6.621 5.837 1.00 0.53 C ATOM 734 O LYS A 48 9.097 -6.142 6.405 1.00 0.65 O ATOM 735 CB LYS A 48 7.560 -9.048 6.135 1.00 0.60 C ATOM 736 CG LYS A 48 8.057 -9.821 7.360 1.00 1.03 C ATOM 737 CD LYS A 48 7.195 -11.070 7.558 1.00 1.41 C ATOM 738 CE LYS A 48 7.456 -11.656 8.947 1.00 1.92 C ATOM 739 NZ LYS A 48 6.946 -13.053 8.875 1.00 2.47 N ATOM 0 H LYS A 48 5.374 -8.214 5.627 1.00 0.51 H new ATOM 0 HA LYS A 48 7.324 -7.460 7.611 1.00 0.55 H new ATOM 0 HB2 LYS A 48 6.684 -9.541 5.712 1.00 0.60 H new ATOM 0 HB3 LYS A 48 8.327 -9.042 5.361 1.00 0.60 H new ATOM 0 HG2 LYS A 48 9.101 -10.104 7.226 1.00 1.03 H new ATOM 0 HG3 LYS A 48 8.009 -9.189 8.247 1.00 1.03 H new ATOM 0 HD2 LYS A 48 6.140 -10.817 7.451 1.00 1.41 H new ATOM 0 HD3 LYS A 48 7.425 -11.809 6.791 1.00 1.41 H new ATOM 0 HE2 LYS A 48 8.518 -11.635 9.191 1.00 1.92 H new ATOM 0 HE3 LYS A 48 6.940 -11.086 9.720 1.00 1.92 H new ATOM 0 HZ1 LYS A 48 7.089 -13.523 9.792 1.00 2.47 H new ATOM 0 HZ2 LYS A 48 5.931 -13.041 8.647 1.00 2.47 H new ATOM 0 HZ3 LYS A 48 7.461 -13.573 8.136 1.00 2.47 H new ATOM 753 N ALA A 49 7.849 -6.301 4.604 1.00 0.47 N ATOM 754 CA ALA A 49 8.708 -5.333 3.868 1.00 0.50 C ATOM 755 C ALA A 49 8.781 -4.015 4.639 1.00 0.53 C ATOM 756 O ALA A 49 9.766 -3.306 4.589 1.00 0.65 O ATOM 757 CB ALA A 49 8.019 -5.133 2.519 1.00 0.55 C ATOM 0 H ALA A 49 7.057 -6.668 4.076 1.00 0.47 H new ATOM 0 HA ALA A 49 9.731 -5.691 3.747 1.00 0.50 H new ATOM 0 HB1 ALA A 49 8.595 -4.430 1.917 1.00 0.55 H new ATOM 0 HB2 ALA A 49 7.955 -6.088 1.998 1.00 0.55 H new ATOM 0 HB3 ALA A 49 7.016 -4.738 2.678 1.00 0.55 H new ATOM 763 N ALA A 50 7.743 -3.685 5.357 1.00 0.54 N ATOM 764 CA ALA A 50 7.751 -2.417 6.139 1.00 0.65 C ATOM 765 C ALA A 50 8.577 -2.600 7.413 1.00 0.65 C ATOM 766 O ALA A 50 9.201 -1.677 7.898 1.00 0.77 O ATOM 767 CB ALA A 50 6.284 -2.153 6.481 1.00 0.76 C ATOM 0 H ALA A 50 6.890 -4.239 5.436 1.00 0.54 H new ATOM 0 HA ALA A 50 8.192 -1.588 5.586 1.00 0.65 H new ATOM 0 HB1 ALA A 50 6.205 -1.232 7.059 1.00 0.76 H new ATOM 0 HB2 ALA A 50 5.708 -2.054 5.561 1.00 0.76 H new ATOM 0 HB3 ALA A 50 5.892 -2.984 7.067 1.00 0.76 H new ATOM 773 N GLY A 51 8.591 -3.789 7.954 1.00 0.59 N ATOM 774 CA GLY A 51 9.382 -4.036 9.191 1.00 0.69 C ATOM 775 C GLY A 51 10.865 -4.129 8.828 1.00 0.78 C ATOM 776 O GLY A 51 11.730 -3.838 9.629 1.00 0.90 O ATOM 0 H GLY A 51 8.088 -4.599 7.592 1.00 0.59 H new ATOM 0 HA2 GLY A 51 9.220 -3.231 9.908 1.00 0.69 H new ATOM 0 HA3 GLY A 51 9.054 -4.959 9.669 1.00 0.69 H new ATOM 780 N LYS A 52 11.165 -4.526 7.620 1.00 0.80 N ATOM 781 CA LYS A 52 12.595 -4.626 7.204 1.00 1.01 C ATOM 782 C LYS A 52 13.306 -3.298 7.469 1.00 1.12 C ATOM 783 O LYS A 52 14.510 -3.244 7.626 1.00 1.31 O ATOM 784 CB LYS A 52 12.553 -4.922 5.704 1.00 1.15 C ATOM 785 CG LYS A 52 12.317 -6.416 5.484 1.00 1.49 C ATOM 786 CD LYS A 52 13.626 -7.176 5.697 1.00 1.97 C ATOM 787 CE LYS A 52 13.335 -8.674 5.815 1.00 2.64 C ATOM 788 NZ LYS A 52 14.177 -9.314 4.768 1.00 3.08 N ATOM 0 H LYS A 52 10.485 -4.785 6.905 1.00 0.80 H new ATOM 0 HA LYS A 52 13.136 -5.397 7.753 1.00 1.01 H new ATOM 0 HB2 LYS A 52 11.759 -4.344 5.231 1.00 1.15 H new ATOM 0 HB3 LYS A 52 13.490 -4.619 5.237 1.00 1.15 H new ATOM 0 HG2 LYS A 52 11.556 -6.780 6.174 1.00 1.49 H new ATOM 0 HG3 LYS A 52 11.942 -6.591 4.475 1.00 1.49 H new ATOM 0 HD2 LYS A 52 14.305 -6.991 4.865 1.00 1.97 H new ATOM 0 HD3 LYS A 52 14.123 -6.819 6.599 1.00 1.97 H new ATOM 0 HE2 LYS A 52 13.587 -9.048 6.807 1.00 2.64 H new ATOM 0 HE3 LYS A 52 12.278 -8.884 5.654 1.00 2.64 H new ATOM 0 HZ1 LYS A 52 14.032 -10.344 4.787 1.00 3.08 H new ATOM 0 HZ2 LYS A 52 13.910 -8.944 3.834 1.00 3.08 H new ATOM 0 HZ3 LYS A 52 15.179 -9.102 4.951 1.00 3.08 H new ATOM 802 N LEU A 53 12.564 -2.226 7.527 1.00 1.12 N ATOM 803 CA LEU A 53 13.184 -0.894 7.793 1.00 1.33 C ATOM 804 C LEU A 53 13.186 -0.648 9.293 1.00 1.30 C ATOM 805 O LEU A 53 14.144 -0.160 9.858 1.00 1.50 O ATOM 806 CB LEU A 53 12.293 0.150 7.098 1.00 1.55 C ATOM 807 CG LEU A 53 11.833 -0.353 5.728 1.00 1.47 C ATOM 808 CD1 LEU A 53 10.995 0.728 5.046 1.00 1.82 C ATOM 809 CD2 LEU A 53 13.053 -0.678 4.864 1.00 2.07 C ATOM 0 H LEU A 53 11.552 -2.214 7.401 1.00 1.12 H new ATOM 0 HA LEU A 53 14.209 -0.841 7.425 1.00 1.33 H new ATOM 0 HB2 LEU A 53 11.425 0.366 7.721 1.00 1.55 H new ATOM 0 HB3 LEU A 53 12.843 1.084 6.982 1.00 1.55 H new ATOM 0 HG LEU A 53 11.232 -1.253 5.854 1.00 1.47 H new ATOM 0 HD11 LEU A 53 10.666 0.372 4.070 1.00 1.82 H new ATOM 0 HD12 LEU A 53 10.124 0.956 5.661 1.00 1.82 H new ATOM 0 HD13 LEU A 53 11.596 1.629 4.920 1.00 1.82 H new ATOM 0 HD21 LEU A 53 12.723 -1.036 3.889 1.00 2.07 H new ATOM 0 HD22 LEU A 53 13.657 0.220 4.735 1.00 2.07 H new ATOM 0 HD23 LEU A 53 13.649 -1.450 5.351 1.00 2.07 H new ATOM 821 N LYS A 54 12.106 -0.984 9.942 1.00 1.20 N ATOM 822 CA LYS A 54 12.019 -0.773 11.415 1.00 1.35 C ATOM 823 C LYS A 54 12.439 0.658 11.756 1.00 1.40 C ATOM 824 O LYS A 54 13.336 0.884 12.544 1.00 1.67 O ATOM 825 CB LYS A 54 12.992 -1.785 12.016 1.00 1.46 C ATOM 826 CG LYS A 54 12.956 -1.682 13.540 1.00 1.91 C ATOM 827 CD LYS A 54 13.124 -3.075 14.151 1.00 2.50 C ATOM 828 CE LYS A 54 11.866 -3.439 14.944 1.00 2.87 C ATOM 829 NZ LYS A 54 12.251 -4.632 15.748 1.00 3.88 N ATOM 0 H LYS A 54 11.277 -1.397 9.515 1.00 1.20 H new ATOM 0 HA LYS A 54 11.009 -0.910 11.802 1.00 1.35 H new ATOM 0 HB2 LYS A 54 12.724 -2.794 11.702 1.00 1.46 H new ATOM 0 HB3 LYS A 54 14.002 -1.596 11.652 1.00 1.46 H new ATOM 0 HG2 LYS A 54 13.750 -1.022 13.889 1.00 1.91 H new ATOM 0 HG3 LYS A 54 12.012 -1.243 13.863 1.00 1.91 H new ATOM 0 HD2 LYS A 54 13.297 -3.810 13.365 1.00 2.50 H new ATOM 0 HD3 LYS A 54 13.997 -3.095 14.804 1.00 2.50 H new ATOM 0 HE2 LYS A 54 11.551 -2.616 15.585 1.00 2.87 H new ATOM 0 HE3 LYS A 54 11.031 -3.663 14.280 1.00 2.87 H new ATOM 0 HZ1 LYS A 54 11.439 -4.942 16.320 1.00 3.88 H new ATOM 0 HZ2 LYS A 54 12.540 -5.402 15.111 1.00 3.88 H new ATOM 0 HZ3 LYS A 54 13.043 -4.387 16.376 1.00 3.88 H new ATOM 843 N ALA A 55 11.803 1.626 11.150 1.00 1.63 N ATOM 844 CA ALA A 55 12.164 3.051 11.413 1.00 2.20 C ATOM 845 C ALA A 55 13.623 3.298 11.022 1.00 2.03 C ATOM 846 O ALA A 55 14.268 4.197 11.526 1.00 2.38 O ATOM 847 CB ALA A 55 11.964 3.257 12.916 1.00 2.78 C ATOM 0 H ALA A 55 11.045 1.490 10.481 1.00 1.63 H new ATOM 0 HA ALA A 55 11.553 3.743 10.834 1.00 2.20 H new ATOM 0 HB1 ALA A 55 12.212 4.285 13.178 1.00 2.78 H new ATOM 0 HB2 ALA A 55 10.924 3.057 13.176 1.00 2.78 H new ATOM 0 HB3 ALA A 55 12.613 2.576 13.466 1.00 2.78 H new ATOM 853 N GLU A 56 14.149 2.506 10.125 1.00 1.67 N ATOM 854 CA GLU A 56 15.568 2.693 9.701 1.00 1.70 C ATOM 855 C GLU A 56 15.809 4.144 9.280 1.00 1.53 C ATOM 856 O GLU A 56 16.881 4.686 9.464 1.00 1.98 O ATOM 857 CB GLU A 56 15.752 1.753 8.511 1.00 1.99 C ATOM 858 CG GLU A 56 16.567 0.533 8.946 1.00 2.69 C ATOM 859 CD GLU A 56 18.058 0.824 8.771 1.00 3.21 C ATOM 860 OE1 GLU A 56 18.504 0.866 7.636 1.00 3.63 O ATOM 861 OE2 GLU A 56 18.729 1.001 9.775 1.00 3.64 O ATOM 0 H GLU A 56 13.658 1.738 9.668 1.00 1.67 H new ATOM 0 HA GLU A 56 16.271 2.476 10.506 1.00 1.70 H new ATOM 0 HB2 GLU A 56 14.781 1.438 8.129 1.00 1.99 H new ATOM 0 HB3 GLU A 56 16.260 2.272 7.699 1.00 1.99 H new ATOM 0 HG2 GLU A 56 16.353 0.292 9.987 1.00 2.69 H new ATOM 0 HG3 GLU A 56 16.284 -0.337 8.353 1.00 2.69 H new ATOM 868 N GLY A 57 14.820 4.776 8.715 1.00 1.58 N ATOM 869 CA GLY A 57 14.991 6.192 8.281 1.00 2.25 C ATOM 870 C GLY A 57 14.605 6.342 6.805 1.00 1.97 C ATOM 871 O GLY A 57 14.461 7.440 6.306 1.00 2.50 O ATOM 0 H GLY A 57 13.900 4.375 8.534 1.00 1.58 H new ATOM 0 HA2 GLY A 57 14.372 6.846 8.895 1.00 2.25 H new ATOM 0 HA3 GLY A 57 16.025 6.503 8.428 1.00 2.25 H new ATOM 875 N SER A 58 14.433 5.256 6.097 1.00 1.30 N ATOM 876 CA SER A 58 14.056 5.359 4.661 1.00 1.23 C ATOM 877 C SER A 58 12.786 6.196 4.503 1.00 1.03 C ATOM 878 O SER A 58 12.195 6.638 5.469 1.00 1.27 O ATOM 879 CB SER A 58 13.809 3.919 4.214 1.00 1.53 C ATOM 880 OG SER A 58 15.025 3.189 4.272 1.00 2.13 O ATOM 0 H SER A 58 14.538 4.306 6.452 1.00 1.30 H new ATOM 0 HA SER A 58 14.829 5.845 4.066 1.00 1.23 H new ATOM 0 HB2 SER A 58 13.061 3.452 4.855 1.00 1.53 H new ATOM 0 HB3 SER A 58 13.413 3.905 3.199 1.00 1.53 H new ATOM 0 HG SER A 58 14.866 2.265 3.987 1.00 2.13 H new ATOM 886 N GLU A 59 12.364 6.405 3.291 1.00 0.85 N ATOM 887 CA GLU A 59 11.126 7.202 3.050 1.00 0.87 C ATOM 888 C GLU A 59 10.122 6.333 2.300 1.00 0.76 C ATOM 889 O GLU A 59 9.358 6.801 1.478 1.00 1.06 O ATOM 890 CB GLU A 59 11.572 8.384 2.191 1.00 1.10 C ATOM 891 CG GLU A 59 12.249 7.866 0.921 1.00 1.05 C ATOM 892 CD GLU A 59 12.521 9.036 -0.028 1.00 1.58 C ATOM 893 OE1 GLU A 59 12.539 10.162 0.441 1.00 2.22 O ATOM 894 OE2 GLU A 59 12.707 8.785 -1.207 1.00 2.13 O ATOM 0 H GLU A 59 12.824 6.057 2.450 1.00 0.85 H new ATOM 0 HA GLU A 59 10.649 7.542 3.969 1.00 0.87 H new ATOM 0 HB2 GLU A 59 10.713 9.003 1.931 1.00 1.10 H new ATOM 0 HB3 GLU A 59 12.262 9.015 2.752 1.00 1.10 H new ATOM 0 HG2 GLU A 59 13.183 7.364 1.173 1.00 1.05 H new ATOM 0 HG3 GLU A 59 11.613 7.128 0.432 1.00 1.05 H new ATOM 901 N ILE A 60 10.138 5.062 2.576 1.00 0.59 N ATOM 902 CA ILE A 60 9.209 4.123 1.886 1.00 0.57 C ATOM 903 C ILE A 60 8.197 3.548 2.883 1.00 0.52 C ATOM 904 O ILE A 60 8.557 3.081 3.946 1.00 0.63 O ATOM 905 CB ILE A 60 10.118 3.019 1.328 1.00 0.68 C ATOM 906 CG1 ILE A 60 10.759 2.234 2.487 1.00 1.46 C ATOM 907 CG2 ILE A 60 11.214 3.648 0.460 1.00 1.34 C ATOM 908 CD1 ILE A 60 11.770 1.221 1.946 1.00 1.60 C ATOM 0 H ILE A 60 10.761 4.627 3.257 1.00 0.59 H new ATOM 0 HA ILE A 60 8.628 4.609 1.102 1.00 0.57 H new ATOM 0 HB ILE A 60 9.524 2.336 0.721 1.00 0.68 H new ATOM 0 HG12 ILE A 60 11.254 2.922 3.172 1.00 1.46 H new ATOM 0 HG13 ILE A 60 9.986 1.718 3.057 1.00 1.46 H new ATOM 0 HG21 ILE A 60 11.859 2.864 0.064 1.00 1.34 H new ATOM 0 HG22 ILE A 60 10.756 4.193 -0.366 1.00 1.34 H new ATOM 0 HG23 ILE A 60 11.807 4.335 1.064 1.00 1.34 H new ATOM 0 HD11 ILE A 60 12.216 0.673 2.776 1.00 1.60 H new ATOM 0 HD12 ILE A 60 11.264 0.522 1.280 1.00 1.60 H new ATOM 0 HD13 ILE A 60 12.552 1.745 1.396 1.00 1.60 H new ATOM 920 N ARG A 61 6.935 3.578 2.553 1.00 0.45 N ATOM 921 CA ARG A 61 5.911 3.031 3.489 1.00 0.45 C ATOM 922 C ARG A 61 4.772 2.367 2.715 1.00 0.41 C ATOM 923 O ARG A 61 4.563 2.632 1.547 1.00 0.55 O ATOM 924 CB ARG A 61 5.395 4.243 4.267 1.00 0.51 C ATOM 925 CG ARG A 61 6.194 4.391 5.561 1.00 0.75 C ATOM 926 CD ARG A 61 5.635 5.559 6.376 1.00 0.97 C ATOM 927 NE ARG A 61 6.597 5.738 7.498 1.00 1.30 N ATOM 928 CZ ARG A 61 6.196 5.591 8.731 1.00 1.66 C ATOM 929 NH1 ARG A 61 5.439 4.578 9.056 1.00 2.19 N ATOM 930 NH2 ARG A 61 6.553 6.456 9.641 1.00 2.21 N ATOM 0 H ARG A 61 6.569 3.956 1.679 1.00 0.45 H new ATOM 0 HA ARG A 61 6.327 2.268 4.147 1.00 0.45 H new ATOM 0 HB2 ARG A 61 5.490 5.145 3.662 1.00 0.51 H new ATOM 0 HB3 ARG A 61 4.336 4.121 4.492 1.00 0.51 H new ATOM 0 HG2 ARG A 61 6.140 3.470 6.141 1.00 0.75 H new ATOM 0 HG3 ARG A 61 7.246 4.563 5.334 1.00 0.75 H new ATOM 0 HD2 ARG A 61 5.561 6.463 5.771 1.00 0.97 H new ATOM 0 HD3 ARG A 61 4.633 5.339 6.746 1.00 0.97 H new ATOM 0 HE ARG A 61 7.570 5.976 7.303 1.00 1.30 H new ATOM 0 HH11 ARG A 61 5.161 3.901 8.346 1.00 2.19 H new ATOM 0 HH12 ARG A 61 5.126 4.464 10.020 1.00 2.19 H new ATOM 0 HH21 ARG A 61 7.145 7.247 9.388 1.00 2.21 H new ATOM 0 HH22 ARG A 61 6.239 6.341 10.605 1.00 2.21 H new ATOM 944 N LEU A 62 4.032 1.507 3.358 1.00 0.35 N ATOM 945 CA LEU A 62 2.903 0.832 2.661 1.00 0.36 C ATOM 946 C LEU A 62 1.617 0.964 3.472 1.00 0.32 C ATOM 947 O LEU A 62 1.609 1.514 4.557 1.00 0.38 O ATOM 948 CB LEU A 62 3.303 -0.652 2.461 1.00 0.48 C ATOM 949 CG LEU A 62 3.946 -1.288 3.715 1.00 0.73 C ATOM 950 CD1 LEU A 62 5.379 -0.779 3.902 1.00 1.22 C ATOM 951 CD2 LEU A 62 3.118 -0.996 4.969 1.00 1.59 C ATOM 0 H LEU A 62 4.160 1.243 4.335 1.00 0.35 H new ATOM 0 HA LEU A 62 2.710 1.296 1.694 1.00 0.36 H new ATOM 0 HB2 LEU A 62 2.418 -1.225 2.185 1.00 0.48 H new ATOM 0 HB3 LEU A 62 4.002 -0.723 1.627 1.00 0.48 H new ATOM 0 HG LEU A 62 3.971 -2.367 3.565 1.00 0.73 H new ATOM 0 HD11 LEU A 62 5.815 -1.238 4.789 1.00 1.22 H new ATOM 0 HD12 LEU A 62 5.975 -1.041 3.028 1.00 1.22 H new ATOM 0 HD13 LEU A 62 5.368 0.304 4.022 1.00 1.22 H new ATOM 0 HD21 LEU A 62 3.595 -1.456 5.835 1.00 1.59 H new ATOM 0 HD22 LEU A 62 3.054 0.082 5.120 1.00 1.59 H new ATOM 0 HD23 LEU A 62 2.115 -1.406 4.847 1.00 1.59 H new ATOM 963 N ALA A 63 0.525 0.476 2.954 1.00 0.30 N ATOM 964 CA ALA A 63 -0.759 0.599 3.704 1.00 0.32 C ATOM 965 C ALA A 63 -1.828 -0.324 3.116 1.00 0.31 C ATOM 966 O ALA A 63 -1.601 -1.025 2.148 1.00 0.37 O ATOM 967 CB ALA A 63 -1.167 2.062 3.548 1.00 0.37 C ATOM 0 H ALA A 63 0.464 0.002 2.053 1.00 0.30 H new ATOM 0 HA ALA A 63 -0.648 0.311 4.749 1.00 0.32 H new ATOM 0 HB1 ALA A 63 -2.106 2.236 4.073 1.00 0.37 H new ATOM 0 HB2 ALA A 63 -0.392 2.703 3.969 1.00 0.37 H new ATOM 0 HB3 ALA A 63 -1.295 2.293 2.491 1.00 0.37 H new ATOM 973 N LYS A 64 -2.997 -0.338 3.699 1.00 0.30 N ATOM 974 CA LYS A 64 -4.064 -1.234 3.175 1.00 0.32 C ATOM 975 C LYS A 64 -5.453 -0.647 3.433 1.00 0.32 C ATOM 976 O LYS A 64 -5.648 0.158 4.322 1.00 0.40 O ATOM 977 CB LYS A 64 -3.882 -2.534 3.955 1.00 0.38 C ATOM 978 CG LYS A 64 -3.095 -3.534 3.104 1.00 1.39 C ATOM 979 CD LYS A 64 -2.986 -4.863 3.851 1.00 1.60 C ATOM 980 CE LYS A 64 -3.436 -6.000 2.933 1.00 2.04 C ATOM 981 NZ LYS A 64 -3.157 -7.246 3.701 1.00 2.26 N ATOM 0 H LYS A 64 -3.256 0.227 4.508 1.00 0.30 H new ATOM 0 HA LYS A 64 -3.989 -1.374 2.097 1.00 0.32 H new ATOM 0 HB2 LYS A 64 -3.354 -2.340 4.888 1.00 0.38 H new ATOM 0 HB3 LYS A 64 -4.854 -2.951 4.220 1.00 0.38 H new ATOM 0 HG2 LYS A 64 -3.592 -3.683 2.146 1.00 1.39 H new ATOM 0 HG3 LYS A 64 -2.101 -3.142 2.890 1.00 1.39 H new ATOM 0 HD2 LYS A 64 -1.958 -5.027 4.175 1.00 1.60 H new ATOM 0 HD3 LYS A 64 -3.603 -4.840 4.749 1.00 1.60 H new ATOM 0 HE2 LYS A 64 -4.495 -5.915 2.689 1.00 2.04 H new ATOM 0 HE3 LYS A 64 -2.889 -5.986 1.990 1.00 2.04 H new ATOM 0 HZ1 LYS A 64 -3.439 -8.072 3.136 1.00 2.26 H new ATOM 0 HZ2 LYS A 64 -2.140 -7.303 3.913 1.00 2.26 H new ATOM 0 HZ3 LYS A 64 -3.696 -7.234 4.590 1.00 2.26 H new ATOM 995 N VAL A 65 -6.419 -1.054 2.657 1.00 0.30 N ATOM 996 CA VAL A 65 -7.805 -0.539 2.842 1.00 0.32 C ATOM 997 C VAL A 65 -8.780 -1.706 2.994 1.00 0.31 C ATOM 998 O VAL A 65 -8.540 -2.795 2.514 1.00 0.36 O ATOM 999 CB VAL A 65 -8.116 0.233 1.561 1.00 0.40 C ATOM 1000 CG1 VAL A 65 -9.538 0.800 1.642 1.00 0.45 C ATOM 1001 CG2 VAL A 65 -7.111 1.372 1.390 1.00 0.70 C ATOM 0 H VAL A 65 -6.307 -1.726 1.898 1.00 0.30 H new ATOM 0 HA VAL A 65 -7.896 0.084 3.732 1.00 0.32 H new ATOM 0 HB VAL A 65 -8.043 -0.437 0.704 1.00 0.40 H new ATOM 0 HG11 VAL A 65 -9.762 1.351 0.729 1.00 0.45 H new ATOM 0 HG12 VAL A 65 -10.250 -0.018 1.756 1.00 0.45 H new ATOM 0 HG13 VAL A 65 -9.614 1.470 2.498 1.00 0.45 H new ATOM 0 HG21 VAL A 65 -7.335 1.921 0.475 1.00 0.70 H new ATOM 0 HG22 VAL A 65 -7.177 2.047 2.244 1.00 0.70 H new ATOM 0 HG23 VAL A 65 -6.103 0.962 1.329 1.00 0.70 H new ATOM 1011 N ASP A 66 -9.888 -1.482 3.642 1.00 0.35 N ATOM 1012 CA ASP A 66 -10.884 -2.576 3.802 1.00 0.39 C ATOM 1013 C ASP A 66 -12.088 -2.308 2.898 1.00 0.40 C ATOM 1014 O ASP A 66 -12.995 -1.587 3.255 1.00 0.44 O ATOM 1015 CB ASP A 66 -11.292 -2.535 5.275 1.00 0.47 C ATOM 1016 CG ASP A 66 -10.610 -3.682 6.024 1.00 0.67 C ATOM 1017 OD1 ASP A 66 -11.129 -4.785 5.979 1.00 1.38 O ATOM 1018 OD2 ASP A 66 -9.579 -3.438 6.631 1.00 1.30 O ATOM 0 H ASP A 66 -10.146 -0.591 4.067 1.00 0.35 H new ATOM 0 HA ASP A 66 -10.483 -3.552 3.526 1.00 0.39 H new ATOM 0 HB2 ASP A 66 -11.009 -1.579 5.716 1.00 0.47 H new ATOM 0 HB3 ASP A 66 -12.375 -2.620 5.366 1.00 0.47 H new ATOM 1023 N ALA A 67 -12.097 -2.877 1.722 1.00 0.40 N ATOM 1024 CA ALA A 67 -13.238 -2.651 0.781 1.00 0.46 C ATOM 1025 C ALA A 67 -14.583 -2.827 1.499 1.00 0.51 C ATOM 1026 O ALA A 67 -15.585 -2.268 1.100 1.00 0.57 O ATOM 1027 CB ALA A 67 -13.071 -3.715 -0.304 1.00 0.51 C ATOM 0 H ALA A 67 -11.362 -3.491 1.370 1.00 0.40 H new ATOM 0 HA ALA A 67 -13.233 -1.640 0.374 1.00 0.46 H new ATOM 0 HB1 ALA A 67 -13.872 -3.617 -1.036 1.00 0.51 H new ATOM 0 HB2 ALA A 67 -12.109 -3.582 -0.799 1.00 0.51 H new ATOM 0 HB3 ALA A 67 -13.113 -4.706 0.149 1.00 0.51 H new ATOM 1033 N THR A 68 -14.612 -3.596 2.552 1.00 0.53 N ATOM 1034 CA THR A 68 -15.892 -3.799 3.289 1.00 0.62 C ATOM 1035 C THR A 68 -16.131 -2.650 4.277 1.00 0.64 C ATOM 1036 O THR A 68 -17.226 -2.462 4.767 1.00 0.86 O ATOM 1037 CB THR A 68 -15.716 -5.123 4.033 1.00 0.66 C ATOM 1038 OG1 THR A 68 -14.463 -5.124 4.705 1.00 1.29 O ATOM 1039 CG2 THR A 68 -15.762 -6.280 3.033 1.00 1.35 C ATOM 0 H THR A 68 -13.807 -4.092 2.934 1.00 0.53 H new ATOM 0 HA THR A 68 -16.752 -3.819 2.620 1.00 0.62 H new ATOM 0 HB THR A 68 -16.519 -5.242 4.761 1.00 0.66 H new ATOM 0 HG1 THR A 68 -14.526 -5.674 5.514 1.00 1.29 H new ATOM 0 HG21 THR A 68 -15.637 -7.224 3.563 1.00 1.35 H new ATOM 0 HG22 THR A 68 -16.723 -6.278 2.518 1.00 1.35 H new ATOM 0 HG23 THR A 68 -14.960 -6.163 2.305 1.00 1.35 H new ATOM 1047 N GLU A 69 -15.118 -1.879 4.569 1.00 0.57 N ATOM 1048 CA GLU A 69 -15.292 -0.744 5.516 1.00 0.61 C ATOM 1049 C GLU A 69 -15.049 0.578 4.785 1.00 0.57 C ATOM 1050 O GLU A 69 -15.687 1.576 5.052 1.00 0.66 O ATOM 1051 CB GLU A 69 -14.230 -0.964 6.594 1.00 0.63 C ATOM 1052 CG GLU A 69 -14.738 -0.418 7.929 1.00 0.83 C ATOM 1053 CD GLU A 69 -13.838 -0.921 9.059 1.00 1.50 C ATOM 1054 OE1 GLU A 69 -12.651 -1.075 8.821 1.00 2.10 O ATOM 1055 OE2 GLU A 69 -14.350 -1.144 10.144 1.00 2.22 O ATOM 0 H GLU A 69 -14.177 -1.988 4.191 1.00 0.57 H new ATOM 0 HA GLU A 69 -16.296 -0.700 5.939 1.00 0.61 H new ATOM 0 HB2 GLU A 69 -14.004 -2.026 6.686 1.00 0.63 H new ATOM 0 HB3 GLU A 69 -13.303 -0.464 6.314 1.00 0.63 H new ATOM 0 HG2 GLU A 69 -14.743 0.672 7.911 1.00 0.83 H new ATOM 0 HG3 GLU A 69 -15.766 -0.738 8.098 1.00 0.83 H new ATOM 1062 N GLU A 70 -14.127 0.587 3.860 1.00 0.52 N ATOM 1063 CA GLU A 70 -13.837 1.839 3.105 1.00 0.57 C ATOM 1064 C GLU A 70 -14.338 1.699 1.665 1.00 0.72 C ATOM 1065 O GLU A 70 -13.768 2.245 0.742 1.00 1.34 O ATOM 1066 CB GLU A 70 -12.311 1.982 3.130 1.00 0.71 C ATOM 1067 CG GLU A 70 -11.800 1.840 4.568 1.00 1.05 C ATOM 1068 CD GLU A 70 -10.300 2.135 4.607 1.00 1.37 C ATOM 1069 OE1 GLU A 70 -9.887 3.089 3.971 1.00 1.89 O ATOM 1070 OE2 GLU A 70 -9.590 1.397 5.271 1.00 1.97 O ATOM 0 H GLU A 70 -13.562 -0.220 3.595 1.00 0.52 H new ATOM 0 HA GLU A 70 -14.329 2.710 3.539 1.00 0.57 H new ATOM 0 HB2 GLU A 70 -11.855 1.222 2.496 1.00 0.71 H new ATOM 0 HB3 GLU A 70 -12.021 2.951 2.725 1.00 0.71 H new ATOM 0 HG2 GLU A 70 -12.334 2.527 5.225 1.00 1.05 H new ATOM 0 HG3 GLU A 70 -11.993 0.832 4.936 1.00 1.05 H new ATOM 1077 N SER A 71 -15.401 0.964 1.468 1.00 0.55 N ATOM 1078 CA SER A 71 -15.946 0.775 0.089 1.00 0.66 C ATOM 1079 C SER A 71 -16.060 2.120 -0.634 1.00 0.70 C ATOM 1080 O SER A 71 -15.825 2.218 -1.822 1.00 0.94 O ATOM 1081 CB SER A 71 -17.328 0.157 0.294 1.00 0.79 C ATOM 1082 OG SER A 71 -17.518 -0.889 -0.650 1.00 1.48 O ATOM 0 H SER A 71 -15.918 0.484 2.205 1.00 0.55 H new ATOM 0 HA SER A 71 -15.301 0.145 -0.524 1.00 0.66 H new ATOM 0 HB2 SER A 71 -17.419 -0.232 1.308 1.00 0.79 H new ATOM 0 HB3 SER A 71 -18.101 0.916 0.173 1.00 0.79 H new ATOM 0 HG SER A 71 -16.966 -1.659 -0.400 1.00 1.48 H new ATOM 1088 N ASP A 72 -16.416 3.154 0.074 1.00 0.67 N ATOM 1089 CA ASP A 72 -16.538 4.490 -0.575 1.00 0.71 C ATOM 1090 C ASP A 72 -15.205 4.870 -1.222 1.00 0.68 C ATOM 1091 O ASP A 72 -15.157 5.581 -2.205 1.00 0.77 O ATOM 1092 CB ASP A 72 -16.884 5.455 0.559 1.00 0.78 C ATOM 1093 CG ASP A 72 -18.368 5.819 0.485 1.00 1.08 C ATOM 1094 OD1 ASP A 72 -18.717 6.636 -0.351 1.00 1.57 O ATOM 1095 OD2 ASP A 72 -19.132 5.273 1.265 1.00 1.83 O ATOM 0 H ASP A 72 -16.628 3.133 1.072 1.00 0.67 H new ATOM 0 HA ASP A 72 -17.294 4.507 -1.360 1.00 0.71 H new ATOM 0 HB2 ASP A 72 -16.659 4.997 1.522 1.00 0.78 H new ATOM 0 HB3 ASP A 72 -16.274 6.355 0.484 1.00 0.78 H new ATOM 1100 N LEU A 73 -14.121 4.390 -0.675 1.00 0.63 N ATOM 1101 CA LEU A 73 -12.785 4.710 -1.254 1.00 0.68 C ATOM 1102 C LEU A 73 -12.571 3.902 -2.535 1.00 0.60 C ATOM 1103 O LEU A 73 -12.163 4.426 -3.552 1.00 0.64 O ATOM 1104 CB LEU A 73 -11.783 4.296 -0.173 1.00 0.83 C ATOM 1105 CG LEU A 73 -10.746 5.407 0.037 1.00 0.79 C ATOM 1106 CD1 LEU A 73 -11.454 6.721 0.381 1.00 0.97 C ATOM 1107 CD2 LEU A 73 -9.815 5.021 1.189 1.00 1.22 C ATOM 0 H LEU A 73 -14.103 3.789 0.149 1.00 0.63 H new ATOM 0 HA LEU A 73 -12.679 5.762 -1.521 1.00 0.68 H new ATOM 0 HB2 LEU A 73 -12.307 4.095 0.762 1.00 0.83 H new ATOM 0 HB3 LEU A 73 -11.284 3.372 -0.464 1.00 0.83 H new ATOM 0 HG LEU A 73 -10.169 5.536 -0.879 1.00 0.79 H new ATOM 0 HD11 LEU A 73 -10.712 7.506 0.529 1.00 0.97 H new ATOM 0 HD12 LEU A 73 -12.120 7.000 -0.436 1.00 0.97 H new ATOM 0 HD13 LEU A 73 -12.034 6.593 1.295 1.00 0.97 H new ATOM 0 HD21 LEU A 73 -9.077 5.809 1.340 1.00 1.22 H new ATOM 0 HD22 LEU A 73 -10.399 4.891 2.100 1.00 1.22 H new ATOM 0 HD23 LEU A 73 -9.305 4.088 0.948 1.00 1.22 H new ATOM 1119 N ALA A 74 -12.856 2.632 -2.492 1.00 0.57 N ATOM 1120 CA ALA A 74 -12.684 1.787 -3.708 1.00 0.56 C ATOM 1121 C ALA A 74 -13.708 2.200 -4.766 1.00 0.59 C ATOM 1122 O ALA A 74 -13.441 2.168 -5.951 1.00 0.65 O ATOM 1123 CB ALA A 74 -12.944 0.355 -3.237 1.00 0.60 C ATOM 0 H ALA A 74 -13.201 2.141 -1.667 1.00 0.57 H new ATOM 0 HA ALA A 74 -11.695 1.890 -4.155 1.00 0.56 H new ATOM 0 HB1 ALA A 74 -12.836 -0.330 -4.078 1.00 0.60 H new ATOM 0 HB2 ALA A 74 -12.226 0.092 -2.460 1.00 0.60 H new ATOM 0 HB3 ALA A 74 -13.955 0.282 -2.837 1.00 0.60 H new ATOM 1129 N GLN A 75 -14.877 2.599 -4.343 1.00 0.64 N ATOM 1130 CA GLN A 75 -15.915 3.026 -5.322 1.00 0.76 C ATOM 1131 C GLN A 75 -15.501 4.349 -5.965 1.00 0.78 C ATOM 1132 O GLN A 75 -15.793 4.611 -7.116 1.00 0.86 O ATOM 1133 CB GLN A 75 -17.191 3.206 -4.497 1.00 0.87 C ATOM 1134 CG GLN A 75 -18.347 3.592 -5.422 1.00 1.42 C ATOM 1135 CD GLN A 75 -19.656 3.033 -4.861 1.00 1.83 C ATOM 1136 OE1 GLN A 75 -19.703 1.908 -4.404 1.00 2.35 O ATOM 1137 NE2 GLN A 75 -20.728 3.777 -4.877 1.00 2.40 N ATOM 0 H GLN A 75 -15.157 2.647 -3.363 1.00 0.64 H new ATOM 0 HA GLN A 75 -16.054 2.304 -6.126 1.00 0.76 H new ATOM 0 HB2 GLN A 75 -17.428 2.283 -3.968 1.00 0.87 H new ATOM 0 HB3 GLN A 75 -17.042 3.978 -3.742 1.00 0.87 H new ATOM 0 HG2 GLN A 75 -18.410 4.677 -5.510 1.00 1.42 H new ATOM 0 HG3 GLN A 75 -18.172 3.201 -6.424 1.00 1.42 H new ATOM 0 HE21 GLN A 75 -20.688 4.721 -5.261 1.00 2.40 H new ATOM 0 HE22 GLN A 75 -21.606 3.414 -4.506 1.00 2.40 H new ATOM 1146 N GLN A 76 -14.818 5.186 -5.231 1.00 0.76 N ATOM 1147 CA GLN A 76 -14.378 6.491 -5.801 1.00 0.84 C ATOM 1148 C GLN A 76 -13.405 6.254 -6.956 1.00 0.83 C ATOM 1149 O GLN A 76 -13.358 7.008 -7.907 1.00 0.94 O ATOM 1150 CB GLN A 76 -13.679 7.213 -4.648 1.00 0.89 C ATOM 1151 CG GLN A 76 -14.693 8.082 -3.900 1.00 1.14 C ATOM 1152 CD GLN A 76 -14.108 9.481 -3.691 1.00 1.49 C ATOM 1153 OE1 GLN A 76 -14.041 9.964 -2.578 1.00 2.20 O ATOM 1154 NE2 GLN A 76 -13.678 10.157 -4.722 1.00 1.97 N ATOM 0 H GLN A 76 -14.546 5.022 -4.262 1.00 0.76 H new ATOM 0 HA GLN A 76 -15.210 7.073 -6.198 1.00 0.84 H new ATOM 0 HB2 GLN A 76 -13.234 6.487 -3.967 1.00 0.89 H new ATOM 0 HB3 GLN A 76 -12.867 7.831 -5.031 1.00 0.89 H new ATOM 0 HG2 GLN A 76 -15.622 8.145 -4.467 1.00 1.14 H new ATOM 0 HG3 GLN A 76 -14.936 7.630 -2.938 1.00 1.14 H new ATOM 0 HE21 GLN A 76 -13.734 9.752 -5.657 1.00 1.97 H new ATOM 0 HE22 GLN A 76 -13.286 11.090 -4.593 1.00 1.97 H new ATOM 1163 N TYR A 77 -12.629 5.209 -6.879 1.00 0.74 N ATOM 1164 CA TYR A 77 -11.658 4.919 -7.973 1.00 0.81 C ATOM 1165 C TYR A 77 -12.176 3.782 -8.864 1.00 0.83 C ATOM 1166 O TYR A 77 -11.652 3.534 -9.932 1.00 1.00 O ATOM 1167 CB TYR A 77 -10.373 4.501 -7.259 1.00 0.80 C ATOM 1168 CG TYR A 77 -9.548 5.729 -6.954 1.00 0.81 C ATOM 1169 CD1 TYR A 77 -9.870 6.533 -5.852 1.00 1.18 C ATOM 1170 CD2 TYR A 77 -8.461 6.065 -7.770 1.00 1.42 C ATOM 1171 CE1 TYR A 77 -9.105 7.671 -5.569 1.00 1.19 C ATOM 1172 CE2 TYR A 77 -7.697 7.203 -7.487 1.00 1.56 C ATOM 1173 CZ TYR A 77 -8.019 8.006 -6.387 1.00 1.05 C ATOM 1174 OH TYR A 77 -7.265 9.128 -6.108 1.00 1.22 O ATOM 0 H TYR A 77 -12.624 4.543 -6.107 1.00 0.74 H new ATOM 0 HA TYR A 77 -11.503 5.779 -8.624 1.00 0.81 H new ATOM 0 HB2 TYR A 77 -10.612 3.971 -6.337 1.00 0.80 H new ATOM 0 HB3 TYR A 77 -9.804 3.813 -7.884 1.00 0.80 H new ATOM 0 HD1 TYR A 77 -10.708 6.275 -5.221 1.00 1.18 H new ATOM 0 HD2 TYR A 77 -8.212 5.445 -8.619 1.00 1.42 H new ATOM 0 HE1 TYR A 77 -9.353 8.291 -4.720 1.00 1.19 H new ATOM 0 HE2 TYR A 77 -6.859 7.461 -8.117 1.00 1.56 H new ATOM 0 HH TYR A 77 -6.550 9.215 -6.772 1.00 1.22 H new ATOM 1184 N GLY A 78 -13.200 3.089 -8.439 1.00 0.78 N ATOM 1185 CA GLY A 78 -13.740 1.976 -9.269 1.00 0.87 C ATOM 1186 C GLY A 78 -12.705 0.852 -9.351 1.00 0.88 C ATOM 1187 O GLY A 78 -12.141 0.589 -10.395 1.00 1.52 O ATOM 0 H GLY A 78 -13.684 3.246 -7.555 1.00 0.78 H new ATOM 0 HA2 GLY A 78 -14.667 1.601 -8.835 1.00 0.87 H new ATOM 0 HA3 GLY A 78 -13.980 2.337 -10.269 1.00 0.87 H new ATOM 1191 N VAL A 79 -12.454 0.186 -8.258 1.00 0.80 N ATOM 1192 CA VAL A 79 -11.457 -0.922 -8.275 1.00 0.79 C ATOM 1193 C VAL A 79 -11.892 -2.003 -9.270 1.00 1.13 C ATOM 1194 O VAL A 79 -13.016 -2.018 -9.731 1.00 1.54 O ATOM 1195 CB VAL A 79 -11.450 -1.468 -6.846 1.00 0.76 C ATOM 1196 CG1 VAL A 79 -11.037 -0.357 -5.876 1.00 0.72 C ATOM 1197 CG2 VAL A 79 -12.849 -1.969 -6.484 1.00 1.30 C ATOM 0 H VAL A 79 -12.895 0.360 -7.355 1.00 0.80 H new ATOM 0 HA VAL A 79 -10.466 -0.589 -8.584 1.00 0.79 H new ATOM 0 HB VAL A 79 -10.740 -2.292 -6.776 1.00 0.76 H new ATOM 0 HG11 VAL A 79 -11.032 -0.746 -4.858 1.00 0.72 H new ATOM 0 HG12 VAL A 79 -10.039 -0.002 -6.133 1.00 0.72 H new ATOM 0 HG13 VAL A 79 -11.745 0.469 -5.945 1.00 0.72 H new ATOM 0 HG21 VAL A 79 -12.844 -2.358 -5.466 1.00 1.30 H new ATOM 0 HG22 VAL A 79 -13.560 -1.146 -6.554 1.00 1.30 H new ATOM 0 HG23 VAL A 79 -13.142 -2.761 -7.174 1.00 1.30 H new ATOM 1207 N ARG A 80 -11.011 -2.906 -9.609 1.00 1.27 N ATOM 1208 CA ARG A 80 -11.380 -3.979 -10.579 1.00 1.72 C ATOM 1209 C ARG A 80 -11.773 -5.259 -9.835 1.00 1.38 C ATOM 1210 O ARG A 80 -12.658 -5.981 -10.249 1.00 1.87 O ATOM 1211 CB ARG A 80 -10.120 -4.210 -11.413 1.00 2.38 C ATOM 1212 CG ARG A 80 -10.076 -3.202 -12.564 1.00 2.85 C ATOM 1213 CD ARG A 80 -9.655 -3.913 -13.852 1.00 3.49 C ATOM 1214 NE ARG A 80 -10.841 -4.719 -14.252 1.00 4.06 N ATOM 1215 CZ ARG A 80 -10.678 -5.897 -14.791 1.00 4.70 C ATOM 1216 NH1 ARG A 80 -10.151 -6.004 -15.979 1.00 5.25 N ATOM 1217 NH2 ARG A 80 -11.042 -6.968 -14.140 1.00 5.09 N ATOM 0 H ARG A 80 -10.054 -2.948 -9.258 1.00 1.27 H new ATOM 0 HA ARG A 80 -12.233 -3.698 -11.197 1.00 1.72 H new ATOM 0 HB2 ARG A 80 -9.233 -4.103 -10.788 1.00 2.38 H new ATOM 0 HB3 ARG A 80 -10.113 -5.227 -11.806 1.00 2.38 H new ATOM 0 HG2 ARG A 80 -11.055 -2.741 -12.694 1.00 2.85 H new ATOM 0 HG3 ARG A 80 -9.374 -2.401 -12.333 1.00 2.85 H new ATOM 0 HD2 ARG A 80 -9.385 -3.197 -14.628 1.00 3.49 H new ATOM 0 HD3 ARG A 80 -8.784 -4.547 -13.686 1.00 3.49 H new ATOM 0 HE ARG A 80 -11.781 -4.351 -14.105 1.00 4.06 H new ATOM 0 HH11 ARG A 80 -9.866 -5.167 -16.488 1.00 5.25 H new ATOM 0 HH12 ARG A 80 -10.024 -6.925 -16.400 1.00 5.25 H new ATOM 0 HH21 ARG A 80 -11.454 -6.885 -13.211 1.00 5.09 H new ATOM 0 HH22 ARG A 80 -10.915 -7.888 -14.561 1.00 5.09 H new ATOM 1231 N GLY A 81 -11.121 -5.547 -8.743 1.00 0.87 N ATOM 1232 CA GLY A 81 -11.458 -6.782 -7.978 1.00 0.81 C ATOM 1233 C GLY A 81 -10.623 -6.836 -6.698 1.00 0.74 C ATOM 1234 O GLY A 81 -10.423 -5.837 -6.035 1.00 1.17 O ATOM 0 H GLY A 81 -10.370 -4.982 -8.347 1.00 0.87 H new ATOM 0 HA2 GLY A 81 -12.520 -6.791 -7.732 1.00 0.81 H new ATOM 0 HA3 GLY A 81 -11.264 -7.664 -8.588 1.00 0.81 H new ATOM 1238 N TYR A 82 -10.135 -7.994 -6.342 1.00 0.61 N ATOM 1239 CA TYR A 82 -9.314 -8.106 -5.100 1.00 0.52 C ATOM 1240 C TYR A 82 -8.248 -9.208 -5.267 1.00 0.54 C ATOM 1241 O TYR A 82 -8.522 -10.224 -5.874 1.00 0.61 O ATOM 1242 CB TYR A 82 -10.305 -8.497 -3.997 1.00 0.59 C ATOM 1243 CG TYR A 82 -11.474 -7.538 -3.981 1.00 0.61 C ATOM 1244 CD1 TYR A 82 -11.400 -6.356 -3.236 1.00 0.64 C ATOM 1245 CD2 TYR A 82 -12.629 -7.832 -4.713 1.00 0.97 C ATOM 1246 CE1 TYR A 82 -12.481 -5.467 -3.224 1.00 0.68 C ATOM 1247 CE2 TYR A 82 -13.711 -6.945 -4.700 1.00 1.04 C ATOM 1248 CZ TYR A 82 -13.639 -5.765 -3.948 1.00 0.75 C ATOM 1249 OH TYR A 82 -14.703 -4.885 -3.943 1.00 0.85 O ATOM 0 H TYR A 82 -10.268 -8.865 -6.855 1.00 0.61 H new ATOM 0 HA TYR A 82 -8.790 -7.178 -4.871 1.00 0.52 H new ATOM 0 HB2 TYR A 82 -10.662 -9.514 -4.162 1.00 0.59 H new ATOM 0 HB3 TYR A 82 -9.805 -8.488 -3.029 1.00 0.59 H new ATOM 0 HD1 TYR A 82 -10.508 -6.130 -2.670 1.00 0.64 H new ATOM 0 HD2 TYR A 82 -12.686 -8.744 -5.289 1.00 0.97 H new ATOM 0 HE1 TYR A 82 -12.420 -4.551 -2.655 1.00 0.68 H new ATOM 0 HE2 TYR A 82 -14.601 -7.170 -5.269 1.00 1.04 H new ATOM 0 HH TYR A 82 -15.427 -5.244 -4.497 1.00 0.85 H new ATOM 1259 N PRO A 83 -7.058 -8.993 -4.726 1.00 0.54 N ATOM 1260 CA PRO A 83 -6.721 -7.751 -3.984 1.00 0.51 C ATOM 1261 C PRO A 83 -6.273 -6.658 -4.956 1.00 0.51 C ATOM 1262 O PRO A 83 -5.511 -6.902 -5.871 1.00 0.63 O ATOM 1263 CB PRO A 83 -5.567 -8.173 -3.086 1.00 0.59 C ATOM 1264 CG PRO A 83 -4.928 -9.347 -3.771 1.00 0.66 C ATOM 1265 CD PRO A 83 -5.915 -9.911 -4.769 1.00 0.64 C ATOM 0 HA PRO A 83 -7.564 -7.343 -3.427 1.00 0.51 H new ATOM 0 HB2 PRO A 83 -4.854 -7.359 -2.957 1.00 0.59 H new ATOM 0 HB3 PRO A 83 -5.923 -8.446 -2.093 1.00 0.59 H new ATOM 0 HG2 PRO A 83 -4.012 -9.040 -4.275 1.00 0.66 H new ATOM 0 HG3 PRO A 83 -4.650 -10.107 -3.041 1.00 0.66 H new ATOM 0 HD2 PRO A 83 -5.483 -9.958 -5.769 1.00 0.64 H new ATOM 0 HD3 PRO A 83 -6.212 -10.925 -4.502 1.00 0.64 H new ATOM 1273 N THR A 84 -6.731 -5.452 -4.761 1.00 0.45 N ATOM 1274 CA THR A 84 -6.317 -4.346 -5.673 1.00 0.45 C ATOM 1275 C THR A 84 -5.127 -3.600 -5.065 1.00 0.43 C ATOM 1276 O THR A 84 -5.264 -2.874 -4.100 1.00 0.52 O ATOM 1277 CB THR A 84 -7.537 -3.421 -5.785 1.00 0.48 C ATOM 1278 OG1 THR A 84 -8.724 -4.148 -5.498 1.00 0.67 O ATOM 1279 CG2 THR A 84 -7.619 -2.859 -7.206 1.00 0.56 C ATOM 0 H THR A 84 -7.371 -5.184 -4.013 1.00 0.45 H new ATOM 0 HA THR A 84 -6.008 -4.711 -6.653 1.00 0.45 H new ATOM 0 HB THR A 84 -7.434 -2.604 -5.070 1.00 0.48 H new ATOM 0 HG1 THR A 84 -8.920 -4.759 -6.238 1.00 0.67 H new ATOM 0 HG21 THR A 84 -8.485 -2.202 -7.288 1.00 0.56 H new ATOM 0 HG22 THR A 84 -6.713 -2.295 -7.427 1.00 0.56 H new ATOM 0 HG23 THR A 84 -7.718 -3.680 -7.917 1.00 0.56 H new ATOM 1287 N ILE A 85 -3.956 -3.785 -5.611 1.00 0.41 N ATOM 1288 CA ILE A 85 -2.754 -3.098 -5.051 1.00 0.41 C ATOM 1289 C ILE A 85 -2.455 -1.820 -5.840 1.00 0.41 C ATOM 1290 O ILE A 85 -2.536 -1.796 -7.053 1.00 0.54 O ATOM 1291 CB ILE A 85 -1.592 -4.094 -5.201 1.00 0.50 C ATOM 1292 CG1 ILE A 85 -2.027 -5.507 -4.776 1.00 0.89 C ATOM 1293 CG2 ILE A 85 -0.425 -3.646 -4.320 1.00 0.80 C ATOM 1294 CD1 ILE A 85 -2.619 -5.468 -3.366 1.00 1.27 C ATOM 0 H ILE A 85 -3.778 -4.381 -6.419 1.00 0.41 H new ATOM 0 HA ILE A 85 -2.908 -2.810 -4.011 1.00 0.41 H new ATOM 0 HB ILE A 85 -1.289 -4.118 -6.248 1.00 0.50 H new ATOM 0 HG12 ILE A 85 -2.764 -5.897 -5.478 1.00 0.89 H new ATOM 0 HG13 ILE A 85 -1.173 -6.183 -4.802 1.00 0.89 H new ATOM 0 HG21 ILE A 85 0.401 -4.350 -4.424 1.00 0.80 H new ATOM 0 HG22 ILE A 85 -0.096 -2.653 -4.628 1.00 0.80 H new ATOM 0 HG23 ILE A 85 -0.746 -3.615 -3.279 1.00 0.80 H new ATOM 0 HD11 ILE A 85 -2.925 -6.472 -3.072 1.00 1.27 H new ATOM 0 HD12 ILE A 85 -1.869 -5.098 -2.667 1.00 1.27 H new ATOM 0 HD13 ILE A 85 -3.485 -4.807 -3.353 1.00 1.27 H new ATOM 1306 N LYS A 86 -2.104 -0.761 -5.164 1.00 0.37 N ATOM 1307 CA LYS A 86 -1.791 0.511 -5.881 1.00 0.40 C ATOM 1308 C LYS A 86 -0.571 1.184 -5.248 1.00 0.38 C ATOM 1309 O LYS A 86 -0.095 0.773 -4.213 1.00 0.49 O ATOM 1310 CB LYS A 86 -3.034 1.385 -5.712 1.00 0.48 C ATOM 1311 CG LYS A 86 -4.256 0.645 -6.262 1.00 0.94 C ATOM 1312 CD LYS A 86 -5.474 1.571 -6.228 1.00 1.03 C ATOM 1313 CE LYS A 86 -5.498 2.432 -7.494 1.00 1.37 C ATOM 1314 NZ LYS A 86 -6.929 2.808 -7.670 1.00 1.73 N ATOM 0 H LYS A 86 -2.020 -0.720 -4.148 1.00 0.37 H new ATOM 0 HA LYS A 86 -1.555 0.344 -6.932 1.00 0.40 H new ATOM 0 HB2 LYS A 86 -3.183 1.624 -4.659 1.00 0.48 H new ATOM 0 HB3 LYS A 86 -2.901 2.331 -6.238 1.00 0.48 H new ATOM 0 HG2 LYS A 86 -4.065 0.316 -7.283 1.00 0.94 H new ATOM 0 HG3 LYS A 86 -4.450 -0.249 -5.670 1.00 0.94 H new ATOM 0 HD2 LYS A 86 -6.389 0.983 -6.158 1.00 1.03 H new ATOM 0 HD3 LYS A 86 -5.436 2.207 -5.344 1.00 1.03 H new ATOM 0 HE2 LYS A 86 -4.868 3.314 -7.385 1.00 1.37 H new ATOM 0 HE3 LYS A 86 -5.125 1.879 -8.356 1.00 1.37 H new ATOM 0 HZ1 LYS A 86 -7.030 3.401 -8.519 1.00 1.73 H new ATOM 0 HZ2 LYS A 86 -7.503 1.948 -7.778 1.00 1.73 H new ATOM 0 HZ3 LYS A 86 -7.254 3.339 -6.837 1.00 1.73 H new ATOM 1328 N PHE A 87 -0.060 2.216 -5.861 1.00 0.37 N ATOM 1329 CA PHE A 87 1.131 2.906 -5.282 1.00 0.36 C ATOM 1330 C PHE A 87 1.054 4.412 -5.549 1.00 0.33 C ATOM 1331 O PHE A 87 0.911 4.848 -6.674 1.00 0.37 O ATOM 1332 CB PHE A 87 2.339 2.287 -5.996 1.00 0.42 C ATOM 1333 CG PHE A 87 3.607 3.030 -5.619 1.00 0.46 C ATOM 1334 CD1 PHE A 87 3.808 3.465 -4.300 1.00 0.44 C ATOM 1335 CD2 PHE A 87 4.580 3.283 -6.593 1.00 0.81 C ATOM 1336 CE1 PHE A 87 4.982 4.152 -3.960 1.00 0.46 C ATOM 1337 CE2 PHE A 87 5.751 3.970 -6.253 1.00 0.97 C ATOM 1338 CZ PHE A 87 5.953 4.404 -4.937 1.00 0.72 C ATOM 0 H PHE A 87 -0.412 2.611 -6.733 1.00 0.37 H new ATOM 0 HA PHE A 87 1.194 2.782 -4.201 1.00 0.36 H new ATOM 0 HB2 PHE A 87 2.431 1.235 -5.725 1.00 0.42 H new ATOM 0 HB3 PHE A 87 2.193 2.327 -7.075 1.00 0.42 H new ATOM 0 HD1 PHE A 87 3.059 3.271 -3.547 1.00 0.44 H new ATOM 0 HD2 PHE A 87 4.427 2.948 -7.608 1.00 0.81 H new ATOM 0 HE1 PHE A 87 5.137 4.487 -2.945 1.00 0.46 H new ATOM 0 HE2 PHE A 87 6.500 4.166 -7.006 1.00 0.97 H new ATOM 0 HZ PHE A 87 6.858 4.933 -4.676 1.00 0.72 H new ATOM 1348 N PHE A 88 1.151 5.205 -4.520 1.00 0.33 N ATOM 1349 CA PHE A 88 1.086 6.680 -4.703 1.00 0.35 C ATOM 1350 C PHE A 88 2.435 7.312 -4.349 1.00 0.42 C ATOM 1351 O PHE A 88 3.208 6.759 -3.591 1.00 0.61 O ATOM 1352 CB PHE A 88 0.003 7.138 -3.731 1.00 0.39 C ATOM 1353 CG PHE A 88 -1.356 6.868 -4.330 1.00 0.42 C ATOM 1354 CD1 PHE A 88 -1.936 7.795 -5.204 1.00 0.54 C ATOM 1355 CD2 PHE A 88 -2.036 5.686 -4.011 1.00 0.63 C ATOM 1356 CE1 PHE A 88 -3.196 7.540 -5.760 1.00 0.62 C ATOM 1357 CE2 PHE A 88 -3.295 5.431 -4.566 1.00 0.73 C ATOM 1358 CZ PHE A 88 -3.875 6.358 -5.440 1.00 0.62 C ATOM 0 H PHE A 88 1.273 4.894 -3.556 1.00 0.33 H new ATOM 0 HA PHE A 88 0.863 6.969 -5.730 1.00 0.35 H new ATOM 0 HB2 PHE A 88 0.105 6.612 -2.782 1.00 0.39 H new ATOM 0 HB3 PHE A 88 0.115 8.202 -3.520 1.00 0.39 H new ATOM 0 HD1 PHE A 88 -1.412 8.707 -5.450 1.00 0.54 H new ATOM 0 HD2 PHE A 88 -1.589 4.971 -3.336 1.00 0.63 H new ATOM 0 HE1 PHE A 88 -3.643 8.255 -6.435 1.00 0.62 H new ATOM 0 HE2 PHE A 88 -3.819 4.519 -4.320 1.00 0.73 H new ATOM 0 HZ PHE A 88 -4.847 6.161 -5.868 1.00 0.62 H new ATOM 1368 N ARG A 89 2.726 8.463 -4.889 1.00 0.47 N ATOM 1369 CA ARG A 89 4.028 9.120 -4.578 1.00 0.55 C ATOM 1370 C ARG A 89 3.835 10.629 -4.404 1.00 0.64 C ATOM 1371 O ARG A 89 3.219 11.286 -5.220 1.00 1.05 O ATOM 1372 CB ARG A 89 4.917 8.828 -5.787 1.00 0.73 C ATOM 1373 CG ARG A 89 4.256 9.378 -7.054 1.00 1.15 C ATOM 1374 CD ARG A 89 5.135 10.479 -7.651 1.00 1.42 C ATOM 1375 NE ARG A 89 6.267 9.757 -8.299 1.00 1.73 N ATOM 1376 CZ ARG A 89 7.482 10.221 -8.195 1.00 2.07 C ATOM 1377 NH1 ARG A 89 7.733 11.465 -8.501 1.00 2.43 N ATOM 1378 NH2 ARG A 89 8.445 9.442 -7.783 1.00 2.56 N ATOM 0 H ARG A 89 2.121 8.976 -5.530 1.00 0.47 H new ATOM 0 HA ARG A 89 4.465 8.750 -3.651 1.00 0.55 H new ATOM 0 HB2 ARG A 89 5.898 9.284 -5.649 1.00 0.73 H new ATOM 0 HB3 ARG A 89 5.075 7.754 -5.884 1.00 0.73 H new ATOM 0 HG2 ARG A 89 4.114 8.577 -7.780 1.00 1.15 H new ATOM 0 HG3 ARG A 89 3.268 9.774 -6.819 1.00 1.15 H new ATOM 0 HD2 ARG A 89 4.582 11.077 -8.375 1.00 1.42 H new ATOM 0 HD3 ARG A 89 5.492 11.162 -6.880 1.00 1.42 H new ATOM 0 HE ARG A 89 6.092 8.900 -8.824 1.00 1.73 H new ATOM 0 HH11 ARG A 89 6.980 12.073 -8.821 1.00 2.43 H new ATOM 0 HH12 ARG A 89 8.683 11.829 -8.420 1.00 2.43 H new ATOM 0 HH21 ARG A 89 8.248 8.471 -7.542 1.00 2.56 H new ATOM 0 HH22 ARG A 89 9.395 9.805 -7.702 1.00 2.56 H new ATOM 1392 N ASN A 90 4.358 11.184 -3.344 1.00 0.57 N ATOM 1393 CA ASN A 90 4.208 12.651 -3.116 1.00 0.68 C ATOM 1394 C ASN A 90 2.735 13.057 -3.216 1.00 0.69 C ATOM 1395 O ASN A 90 2.412 14.178 -3.557 1.00 0.98 O ATOM 1396 CB ASN A 90 5.023 13.308 -4.230 1.00 0.87 C ATOM 1397 CG ASN A 90 5.006 14.826 -4.044 1.00 1.10 C ATOM 1398 OD1 ASN A 90 5.063 15.314 -2.933 1.00 1.65 O ATOM 1399 ND2 ASN A 90 4.928 15.599 -5.093 1.00 1.74 N ATOM 0 H ASN A 90 4.883 10.685 -2.626 1.00 0.57 H new ATOM 0 HA ASN A 90 4.551 12.952 -2.126 1.00 0.68 H new ATOM 0 HB2 ASN A 90 6.049 12.940 -4.211 1.00 0.87 H new ATOM 0 HB3 ASN A 90 4.608 13.045 -5.203 1.00 0.87 H new ATOM 0 HD21 ASN A 90 4.915 16.613 -4.980 1.00 1.74 H new ATOM 0 HD22 ASN A 90 4.880 15.189 -6.026 1.00 1.74 H new ATOM 1406 N GLY A 91 1.839 12.156 -2.922 1.00 0.65 N ATOM 1407 CA GLY A 91 0.389 12.493 -3.000 1.00 0.75 C ATOM 1408 C GLY A 91 0.018 12.815 -4.448 1.00 0.79 C ATOM 1409 O GLY A 91 -0.452 13.892 -4.757 1.00 1.19 O ATOM 0 H GLY A 91 2.048 11.201 -2.631 1.00 0.65 H new ATOM 0 HA2 GLY A 91 -0.210 11.657 -2.637 1.00 0.75 H new ATOM 0 HA3 GLY A 91 0.168 13.346 -2.358 1.00 0.75 H new ATOM 1413 N ASP A 92 0.226 11.886 -5.336 1.00 0.90 N ATOM 1414 CA ASP A 92 -0.114 12.130 -6.768 1.00 1.27 C ATOM 1415 C ASP A 92 -1.631 12.244 -6.942 1.00 1.14 C ATOM 1416 O ASP A 92 -2.135 13.226 -7.452 1.00 1.70 O ATOM 1417 CB ASP A 92 0.422 10.908 -7.513 1.00 1.93 C ATOM 1418 CG ASP A 92 1.090 11.355 -8.815 1.00 2.15 C ATOM 1419 OD1 ASP A 92 0.411 11.963 -9.627 1.00 2.68 O ATOM 1420 OD2 ASP A 92 2.268 11.084 -8.977 1.00 2.41 O ATOM 0 H ASP A 92 0.617 10.966 -5.134 1.00 0.90 H new ATOM 0 HA ASP A 92 0.317 13.059 -7.143 1.00 1.27 H new ATOM 0 HB2 ASP A 92 1.139 10.374 -6.889 1.00 1.93 H new ATOM 0 HB3 ASP A 92 -0.391 10.215 -7.729 1.00 1.93 H new ATOM 1425 N THR A 93 -2.363 11.247 -6.523 1.00 0.96 N ATOM 1426 CA THR A 93 -3.853 11.291 -6.662 1.00 1.33 C ATOM 1427 C THR A 93 -4.246 11.703 -8.085 1.00 1.26 C ATOM 1428 O THR A 93 -5.232 12.381 -8.294 1.00 1.90 O ATOM 1429 CB THR A 93 -4.351 12.336 -5.647 1.00 1.74 C ATOM 1430 OG1 THR A 93 -3.258 12.898 -4.929 1.00 2.10 O ATOM 1431 CG2 THR A 93 -5.313 11.669 -4.665 1.00 1.92 C ATOM 0 H THR A 93 -1.995 10.400 -6.089 1.00 0.96 H new ATOM 0 HA THR A 93 -4.296 10.313 -6.474 1.00 1.33 H new ATOM 0 HB THR A 93 -4.862 13.133 -6.187 1.00 1.74 H new ATOM 0 HG1 THR A 93 -3.593 13.561 -4.290 1.00 2.10 H new ATOM 0 HG21 THR A 93 -5.667 12.407 -3.945 1.00 1.92 H new ATOM 0 HG22 THR A 93 -6.162 11.257 -5.210 1.00 1.92 H new ATOM 0 HG23 THR A 93 -4.797 10.867 -4.138 1.00 1.92 H new ATOM 1439 N ALA A 94 -3.482 11.299 -9.063 1.00 1.18 N ATOM 1440 CA ALA A 94 -3.814 11.669 -10.470 1.00 1.18 C ATOM 1441 C ALA A 94 -3.180 10.670 -11.440 1.00 1.14 C ATOM 1442 O ALA A 94 -3.807 10.210 -12.375 1.00 1.48 O ATOM 1443 CB ALA A 94 -3.214 13.061 -10.666 1.00 1.24 C ATOM 0 H ALA A 94 -2.643 10.730 -8.950 1.00 1.18 H new ATOM 0 HA ALA A 94 -4.888 11.659 -10.658 1.00 1.18 H new ATOM 0 HB1 ALA A 94 -3.416 13.405 -11.680 1.00 1.24 H new ATOM 0 HB2 ALA A 94 -3.661 13.753 -9.952 1.00 1.24 H new ATOM 0 HB3 ALA A 94 -2.137 13.019 -10.505 1.00 1.24 H new ATOM 1449 N SER A 95 -1.943 10.332 -11.222 1.00 1.20 N ATOM 1450 CA SER A 95 -1.259 9.362 -12.124 1.00 1.22 C ATOM 1451 C SER A 95 -0.468 8.343 -11.293 1.00 0.98 C ATOM 1452 O SER A 95 0.733 8.227 -11.443 1.00 0.98 O ATOM 1453 CB SER A 95 -0.317 10.210 -12.977 1.00 1.48 C ATOM 1454 OG SER A 95 -1.055 10.837 -14.016 1.00 2.01 O ATOM 0 H SER A 95 -1.371 10.686 -10.455 1.00 1.20 H new ATOM 0 HA SER A 95 -1.961 8.797 -12.737 1.00 1.22 H new ATOM 0 HB2 SER A 95 0.173 10.963 -12.359 1.00 1.48 H new ATOM 0 HB3 SER A 95 0.469 9.585 -13.401 1.00 1.48 H new ATOM 0 HG SER A 95 -0.452 11.383 -14.563 1.00 2.01 H new ATOM 1460 N PRO A 96 -1.168 7.638 -10.436 1.00 0.87 N ATOM 1461 CA PRO A 96 -0.509 6.627 -9.572 1.00 0.72 C ATOM 1462 C PRO A 96 -0.116 5.391 -10.390 1.00 0.65 C ATOM 1463 O PRO A 96 -0.463 5.263 -11.546 1.00 0.79 O ATOM 1464 CB PRO A 96 -1.583 6.276 -8.547 1.00 0.79 C ATOM 1465 CG PRO A 96 -2.880 6.592 -9.221 1.00 0.97 C ATOM 1466 CD PRO A 96 -2.616 7.717 -10.185 1.00 1.02 C ATOM 0 HA PRO A 96 0.410 6.993 -9.115 1.00 0.72 H new ATOM 0 HB2 PRO A 96 -1.531 5.224 -8.265 1.00 0.79 H new ATOM 0 HB3 PRO A 96 -1.461 6.857 -7.633 1.00 0.79 H new ATOM 0 HG2 PRO A 96 -3.264 5.717 -9.746 1.00 0.97 H new ATOM 0 HG3 PRO A 96 -3.634 6.881 -8.489 1.00 0.97 H new ATOM 0 HD2 PRO A 96 -3.188 7.597 -11.105 1.00 1.02 H new ATOM 0 HD3 PRO A 96 -2.895 8.681 -9.760 1.00 1.02 H new ATOM 1474 N LYS A 97 0.604 4.481 -9.790 1.00 0.55 N ATOM 1475 CA LYS A 97 1.019 3.250 -10.524 1.00 0.57 C ATOM 1476 C LYS A 97 0.448 2.009 -9.833 1.00 0.53 C ATOM 1477 O LYS A 97 0.052 2.054 -8.686 1.00 0.89 O ATOM 1478 CB LYS A 97 2.546 3.244 -10.456 1.00 0.68 C ATOM 1479 CG LYS A 97 3.121 3.843 -11.741 1.00 0.85 C ATOM 1480 CD LYS A 97 4.642 3.685 -11.742 1.00 1.63 C ATOM 1481 CE LYS A 97 5.297 5.032 -12.055 1.00 2.05 C ATOM 1482 NZ LYS A 97 5.182 5.180 -13.533 1.00 2.61 N ATOM 0 H LYS A 97 0.923 4.537 -8.823 1.00 0.55 H new ATOM 0 HA LYS A 97 0.657 3.239 -11.552 1.00 0.57 H new ATOM 0 HB2 LYS A 97 2.884 3.818 -9.593 1.00 0.68 H new ATOM 0 HB3 LYS A 97 2.910 2.225 -10.324 1.00 0.68 H new ATOM 0 HG2 LYS A 97 2.693 3.345 -12.611 1.00 0.85 H new ATOM 0 HG3 LYS A 97 2.854 4.897 -11.814 1.00 0.85 H new ATOM 0 HD2 LYS A 97 4.981 3.321 -10.772 1.00 1.63 H new ATOM 0 HD3 LYS A 97 4.940 2.943 -12.483 1.00 1.63 H new ATOM 0 HE2 LYS A 97 4.792 5.847 -11.536 1.00 2.05 H new ATOM 0 HE3 LYS A 97 6.339 5.048 -11.736 1.00 2.05 H new ATOM 0 HZ1 LYS A 97 5.654 6.057 -13.832 1.00 2.61 H new ATOM 0 HZ2 LYS A 97 5.633 4.367 -13.999 1.00 2.61 H new ATOM 0 HZ3 LYS A 97 4.178 5.219 -13.801 1.00 2.61 H new ATOM 1496 N GLU A 98 0.402 0.902 -10.522 1.00 0.51 N ATOM 1497 CA GLU A 98 -0.145 -0.339 -9.899 1.00 0.48 C ATOM 1498 C GLU A 98 0.975 -1.362 -9.674 1.00 0.45 C ATOM 1499 O GLU A 98 1.848 -1.533 -10.500 1.00 0.61 O ATOM 1500 CB GLU A 98 -1.167 -0.872 -10.904 1.00 0.61 C ATOM 1501 CG GLU A 98 -0.467 -1.196 -12.225 1.00 1.33 C ATOM 1502 CD GLU A 98 -0.565 -2.699 -12.499 1.00 2.10 C ATOM 1503 OE1 GLU A 98 -0.579 -3.455 -11.542 1.00 2.61 O ATOM 1504 OE2 GLU A 98 -0.625 -3.067 -13.660 1.00 2.79 O ATOM 0 H GLU A 98 0.718 0.802 -11.487 1.00 0.51 H new ATOM 0 HA GLU A 98 -0.595 -0.146 -8.925 1.00 0.48 H new ATOM 0 HB2 GLU A 98 -1.650 -1.765 -10.508 1.00 0.61 H new ATOM 0 HB3 GLU A 98 -1.951 -0.132 -11.068 1.00 0.61 H new ATOM 0 HG2 GLU A 98 -0.927 -0.636 -13.039 1.00 1.33 H new ATOM 0 HG3 GLU A 98 0.579 -0.891 -12.179 1.00 1.33 H new ATOM 1511 N TYR A 99 0.951 -2.040 -8.559 1.00 0.45 N ATOM 1512 CA TYR A 99 2.009 -3.052 -8.274 1.00 0.46 C ATOM 1513 C TYR A 99 1.822 -4.285 -9.166 1.00 0.53 C ATOM 1514 O TYR A 99 0.728 -4.792 -9.317 1.00 0.67 O ATOM 1515 CB TYR A 99 1.808 -3.418 -6.802 1.00 0.52 C ATOM 1516 CG TYR A 99 2.933 -4.315 -6.342 1.00 0.64 C ATOM 1517 CD1 TYR A 99 4.229 -3.801 -6.222 1.00 1.58 C ATOM 1518 CD2 TYR A 99 2.681 -5.659 -6.039 1.00 1.20 C ATOM 1519 CE1 TYR A 99 5.274 -4.630 -5.799 1.00 2.05 C ATOM 1520 CE2 TYR A 99 3.727 -6.489 -5.615 1.00 1.49 C ATOM 1521 CZ TYR A 99 5.013 -5.979 -5.481 1.00 1.70 C ATOM 1522 OH TYR A 99 6.053 -6.790 -5.078 1.00 2.27 O ATOM 0 H TYR A 99 0.243 -1.937 -7.832 1.00 0.45 H new ATOM 0 HA TYR A 99 3.011 -2.672 -8.471 1.00 0.46 H new ATOM 0 HB2 TYR A 99 1.779 -2.514 -6.193 1.00 0.52 H new ATOM 0 HB3 TYR A 99 0.851 -3.922 -6.670 1.00 0.52 H new ATOM 0 HD1 TYR A 99 4.423 -2.765 -6.456 1.00 1.58 H new ATOM 0 HD2 TYR A 99 1.681 -6.055 -6.132 1.00 1.20 H new ATOM 0 HE1 TYR A 99 6.277 -4.238 -5.716 1.00 2.05 H new ATOM 0 HE2 TYR A 99 3.534 -7.528 -5.392 1.00 1.49 H new ATOM 0 HH TYR A 99 6.888 -6.478 -5.486 1.00 2.27 H new ATOM 1532 N THR A 100 2.881 -4.772 -9.754 1.00 0.60 N ATOM 1533 CA THR A 100 2.761 -5.972 -10.634 1.00 0.72 C ATOM 1534 C THR A 100 3.255 -7.219 -9.896 1.00 0.83 C ATOM 1535 O THR A 100 2.635 -8.264 -9.940 1.00 1.71 O ATOM 1536 CB THR A 100 3.654 -5.674 -11.839 1.00 0.93 C ATOM 1537 OG1 THR A 100 4.895 -5.149 -11.387 1.00 1.36 O ATOM 1538 CG2 THR A 100 2.966 -4.654 -12.747 1.00 1.13 C ATOM 0 H THR A 100 3.823 -4.392 -9.664 1.00 0.60 H new ATOM 0 HA THR A 100 1.730 -6.164 -10.930 1.00 0.72 H new ATOM 0 HB THR A 100 3.830 -6.593 -12.398 1.00 0.93 H new ATOM 0 HG1 THR A 100 5.525 -5.108 -12.136 1.00 1.36 H new ATOM 0 HG21 THR A 100 3.604 -4.443 -13.605 1.00 1.13 H new ATOM 0 HG22 THR A 100 2.014 -5.058 -13.093 1.00 1.13 H new ATOM 0 HG23 THR A 100 2.789 -3.733 -12.191 1.00 1.13 H new ATOM 1546 N ALA A 101 4.364 -7.118 -9.217 1.00 0.83 N ATOM 1547 CA ALA A 101 4.894 -8.296 -8.474 1.00 1.01 C ATOM 1548 C ALA A 101 3.870 -8.763 -7.436 1.00 1.36 C ATOM 1549 O ALA A 101 2.702 -8.441 -7.519 1.00 1.98 O ATOM 1550 CB ALA A 101 6.167 -7.791 -7.794 1.00 0.87 C ATOM 0 H ALA A 101 4.927 -6.270 -9.144 1.00 0.83 H new ATOM 0 HA ALA A 101 5.094 -9.147 -9.125 1.00 1.01 H new ATOM 0 HB1 ALA A 101 6.621 -8.601 -7.223 1.00 0.87 H new ATOM 0 HB2 ALA A 101 6.870 -7.442 -8.551 1.00 0.87 H new ATOM 0 HB3 ALA A 101 5.919 -6.969 -7.122 1.00 0.87 H new ATOM 1556 N GLY A 102 4.292 -9.518 -6.458 1.00 1.17 N ATOM 1557 CA GLY A 102 3.330 -9.995 -5.426 1.00 1.71 C ATOM 1558 C GLY A 102 3.704 -11.409 -4.993 1.00 1.08 C ATOM 1559 O GLY A 102 2.922 -12.332 -5.095 1.00 1.27 O ATOM 0 H GLY A 102 5.257 -9.823 -6.330 1.00 1.17 H new ATOM 0 HA2 GLY A 102 3.342 -9.325 -4.566 1.00 1.71 H new ATOM 0 HA3 GLY A 102 2.316 -9.982 -5.826 1.00 1.71 H new ATOM 1563 N ARG A 103 4.898 -11.580 -4.504 1.00 0.90 N ATOM 1564 CA ARG A 103 5.334 -12.931 -4.054 1.00 1.11 C ATOM 1565 C ARG A 103 5.752 -12.873 -2.587 1.00 0.94 C ATOM 1566 O ARG A 103 5.173 -13.519 -1.736 1.00 1.04 O ATOM 1567 CB ARG A 103 6.531 -13.279 -4.941 1.00 1.71 C ATOM 1568 CG ARG A 103 6.278 -14.618 -5.636 1.00 2.44 C ATOM 1569 CD ARG A 103 6.680 -14.512 -7.109 1.00 3.16 C ATOM 1570 NE ARG A 103 5.399 -14.584 -7.866 1.00 3.73 N ATOM 1571 CZ ARG A 103 5.397 -14.413 -9.160 1.00 4.34 C ATOM 1572 NH1 ARG A 103 5.762 -15.388 -9.949 1.00 4.84 N ATOM 1573 NH2 ARG A 103 5.025 -13.269 -9.666 1.00 4.81 N ATOM 0 H ARG A 103 5.593 -10.842 -4.396 1.00 0.90 H new ATOM 0 HA ARG A 103 4.542 -13.675 -4.136 1.00 1.11 H new ATOM 0 HB2 ARG A 103 6.687 -12.496 -5.683 1.00 1.71 H new ATOM 0 HB3 ARG A 103 7.439 -13.335 -4.340 1.00 1.71 H new ATOM 0 HG2 ARG A 103 6.850 -15.407 -5.148 1.00 2.44 H new ATOM 0 HG3 ARG A 103 5.226 -14.890 -5.554 1.00 2.44 H new ATOM 0 HD2 ARG A 103 7.204 -13.577 -7.309 1.00 3.16 H new ATOM 0 HD3 ARG A 103 7.352 -15.321 -7.394 1.00 3.16 H new ATOM 0 HE ARG A 103 4.525 -14.767 -7.374 1.00 3.73 H new ATOM 0 HH11 ARG A 103 6.049 -16.284 -9.554 1.00 4.84 H new ATOM 0 HH12 ARG A 103 5.760 -15.254 -10.960 1.00 4.84 H new ATOM 0 HH21 ARG A 103 4.736 -12.509 -9.050 1.00 4.81 H new ATOM 0 HH22 ARG A 103 5.023 -13.135 -10.677 1.00 4.81 H new ATOM 1587 N GLU A 104 6.750 -12.093 -2.287 1.00 0.75 N ATOM 1588 CA GLU A 104 7.214 -11.974 -0.875 1.00 0.66 C ATOM 1589 C GLU A 104 7.568 -10.519 -0.568 1.00 0.56 C ATOM 1590 O GLU A 104 7.741 -9.717 -1.464 1.00 0.57 O ATOM 1591 CB GLU A 104 8.465 -12.851 -0.790 1.00 0.79 C ATOM 1592 CG GLU A 104 8.084 -14.321 -0.985 1.00 1.59 C ATOM 1593 CD GLU A 104 8.658 -14.827 -2.310 1.00 1.87 C ATOM 1594 OE1 GLU A 104 9.872 -14.835 -2.440 1.00 2.51 O ATOM 1595 OE2 GLU A 104 7.877 -15.196 -3.170 1.00 2.04 O ATOM 0 H GLU A 104 7.268 -11.529 -2.961 1.00 0.75 H new ATOM 0 HA GLU A 104 6.451 -12.283 -0.161 1.00 0.66 H new ATOM 0 HB2 GLU A 104 9.184 -12.549 -1.551 1.00 0.79 H new ATOM 0 HB3 GLU A 104 8.949 -12.717 0.177 1.00 0.79 H new ATOM 0 HG2 GLU A 104 8.467 -14.919 -0.159 1.00 1.59 H new ATOM 0 HG3 GLU A 104 6.999 -14.430 -0.981 1.00 1.59 H new ATOM 1602 N ALA A 105 7.676 -10.171 0.690 1.00 0.50 N ATOM 1603 CA ALA A 105 8.025 -8.763 1.059 1.00 0.44 C ATOM 1604 C ALA A 105 9.188 -8.247 0.203 1.00 0.45 C ATOM 1605 O ALA A 105 9.273 -7.073 -0.102 1.00 0.47 O ATOM 1606 CB ALA A 105 8.435 -8.829 2.529 1.00 0.47 C ATOM 0 H ALA A 105 7.537 -10.802 1.479 1.00 0.50 H new ATOM 0 HA ALA A 105 7.190 -8.082 0.893 1.00 0.44 H new ATOM 0 HB1 ALA A 105 8.707 -7.832 2.876 1.00 0.47 H new ATOM 0 HB2 ALA A 105 7.602 -9.205 3.123 1.00 0.47 H new ATOM 0 HB3 ALA A 105 9.289 -9.497 2.639 1.00 0.47 H new ATOM 1612 N ASP A 106 10.075 -9.116 -0.201 1.00 0.51 N ATOM 1613 CA ASP A 106 11.212 -8.664 -1.052 1.00 0.56 C ATOM 1614 C ASP A 106 10.664 -8.084 -2.354 1.00 0.54 C ATOM 1615 O ASP A 106 11.029 -7.004 -2.770 1.00 0.64 O ATOM 1616 CB ASP A 106 12.036 -9.923 -1.328 1.00 0.67 C ATOM 1617 CG ASP A 106 12.752 -10.356 -0.047 1.00 1.18 C ATOM 1618 OD1 ASP A 106 12.971 -9.507 0.802 1.00 2.02 O ATOM 1619 OD2 ASP A 106 13.068 -11.528 0.065 1.00 1.82 O ATOM 0 H ASP A 106 10.062 -10.112 0.019 1.00 0.51 H new ATOM 0 HA ASP A 106 11.815 -7.892 -0.574 1.00 0.56 H new ATOM 0 HB2 ASP A 106 11.388 -10.724 -1.683 1.00 0.67 H new ATOM 0 HB3 ASP A 106 12.764 -9.729 -2.116 1.00 0.67 H new ATOM 1624 N ASP A 107 9.777 -8.797 -2.988 1.00 0.50 N ATOM 1625 CA ASP A 107 9.182 -8.296 -4.259 1.00 0.52 C ATOM 1626 C ASP A 107 8.569 -6.914 -4.030 1.00 0.51 C ATOM 1627 O ASP A 107 8.546 -6.077 -4.911 1.00 0.63 O ATOM 1628 CB ASP A 107 8.093 -9.313 -4.614 1.00 0.55 C ATOM 1629 CG ASP A 107 8.729 -10.526 -5.295 1.00 0.76 C ATOM 1630 OD1 ASP A 107 9.168 -11.417 -4.586 1.00 1.39 O ATOM 1631 OD2 ASP A 107 8.766 -10.544 -6.514 1.00 1.41 O ATOM 0 H ASP A 107 9.437 -9.708 -2.681 1.00 0.50 H new ATOM 0 HA ASP A 107 9.919 -8.196 -5.056 1.00 0.52 H new ATOM 0 HB2 ASP A 107 7.564 -9.624 -3.713 1.00 0.55 H new ATOM 0 HB3 ASP A 107 7.356 -8.857 -5.275 1.00 0.55 H new ATOM 1636 N ILE A 108 8.071 -6.674 -2.850 1.00 0.46 N ATOM 1637 CA ILE A 108 7.454 -5.349 -2.548 1.00 0.52 C ATOM 1638 C ILE A 108 8.533 -4.265 -2.478 1.00 0.50 C ATOM 1639 O ILE A 108 8.391 -3.192 -3.033 1.00 0.52 O ATOM 1640 CB ILE A 108 6.791 -5.525 -1.182 1.00 0.60 C ATOM 1641 CG1 ILE A 108 5.781 -6.676 -1.244 1.00 0.73 C ATOM 1642 CG2 ILE A 108 6.068 -4.233 -0.794 1.00 0.67 C ATOM 1643 CD1 ILE A 108 4.688 -6.345 -2.260 1.00 0.68 C ATOM 0 H ILE A 108 8.064 -7.340 -2.077 1.00 0.46 H new ATOM 0 HA ILE A 108 6.742 -5.042 -3.314 1.00 0.52 H new ATOM 0 HB ILE A 108 7.554 -5.753 -0.438 1.00 0.60 H new ATOM 0 HG12 ILE A 108 6.285 -7.601 -1.525 1.00 0.73 H new ATOM 0 HG13 ILE A 108 5.340 -6.840 -0.261 1.00 0.73 H new ATOM 0 HG21 ILE A 108 5.595 -4.359 0.180 1.00 0.67 H new ATOM 0 HG22 ILE A 108 6.786 -3.415 -0.746 1.00 0.67 H new ATOM 0 HG23 ILE A 108 5.307 -4.004 -1.540 1.00 0.67 H new ATOM 0 HD11 ILE A 108 3.971 -7.165 -2.303 1.00 0.68 H new ATOM 0 HD12 ILE A 108 4.177 -5.431 -1.959 1.00 0.68 H new ATOM 0 HD13 ILE A 108 5.136 -6.203 -3.243 1.00 0.68 H new ATOM 1655 N VAL A 109 9.615 -4.540 -1.806 1.00 0.51 N ATOM 1656 CA VAL A 109 10.703 -3.528 -1.704 1.00 0.56 C ATOM 1657 C VAL A 109 11.443 -3.447 -3.034 1.00 0.51 C ATOM 1658 O VAL A 109 11.882 -2.395 -3.453 1.00 0.55 O ATOM 1659 CB VAL A 109 11.630 -4.045 -0.605 1.00 0.67 C ATOM 1660 CG1 VAL A 109 12.824 -3.099 -0.464 1.00 0.81 C ATOM 1661 CG2 VAL A 109 10.867 -4.109 0.719 1.00 0.86 C ATOM 0 H VAL A 109 9.793 -5.421 -1.323 1.00 0.51 H new ATOM 0 HA VAL A 109 10.329 -2.530 -1.475 1.00 0.56 H new ATOM 0 HB VAL A 109 11.984 -5.042 -0.865 1.00 0.67 H new ATOM 0 HG11 VAL A 109 13.488 -3.465 0.319 1.00 0.81 H new ATOM 0 HG12 VAL A 109 13.367 -3.055 -1.408 1.00 0.81 H new ATOM 0 HG13 VAL A 109 12.469 -2.102 -0.203 1.00 0.81 H new ATOM 0 HG21 VAL A 109 11.529 -4.478 1.503 1.00 0.86 H new ATOM 0 HG22 VAL A 109 10.512 -3.113 0.983 1.00 0.86 H new ATOM 0 HG23 VAL A 109 10.016 -4.782 0.616 1.00 0.86 H new ATOM 1671 N ASN A 110 11.577 -4.555 -3.703 1.00 0.50 N ATOM 1672 CA ASN A 110 12.280 -4.556 -5.012 1.00 0.52 C ATOM 1673 C ASN A 110 11.584 -3.594 -5.974 1.00 0.50 C ATOM 1674 O ASN A 110 12.217 -2.899 -6.742 1.00 0.59 O ATOM 1675 CB ASN A 110 12.166 -5.997 -5.505 1.00 0.59 C ATOM 1676 CG ASN A 110 13.428 -6.383 -6.276 1.00 0.98 C ATOM 1677 OD1 ASN A 110 13.813 -5.711 -7.213 1.00 1.65 O ATOM 1678 ND2 ASN A 110 14.095 -7.447 -5.917 1.00 1.29 N ATOM 0 H ASN A 110 11.228 -5.464 -3.398 1.00 0.50 H new ATOM 0 HA ASN A 110 13.318 -4.232 -4.938 1.00 0.52 H new ATOM 0 HB2 ASN A 110 12.026 -6.670 -4.659 1.00 0.59 H new ATOM 0 HB3 ASN A 110 11.291 -6.103 -6.146 1.00 0.59 H new ATOM 0 HD21 ASN A 110 14.939 -7.714 -6.423 1.00 1.29 H new ATOM 0 HD22 ASN A 110 13.772 -8.010 -5.131 1.00 1.29 H new ATOM 1685 N TRP A 111 10.283 -3.543 -5.928 1.00 0.46 N ATOM 1686 CA TRP A 111 9.540 -2.618 -6.830 1.00 0.51 C ATOM 1687 C TRP A 111 9.575 -1.201 -6.256 1.00 0.55 C ATOM 1688 O TRP A 111 9.479 -0.225 -6.973 1.00 0.66 O ATOM 1689 CB TRP A 111 8.110 -3.154 -6.850 1.00 0.55 C ATOM 1690 CG TRP A 111 7.540 -3.000 -8.224 1.00 0.58 C ATOM 1691 CD1 TRP A 111 7.602 -3.937 -9.198 1.00 0.73 C ATOM 1692 CD2 TRP A 111 6.824 -1.865 -8.791 1.00 0.69 C ATOM 1693 NE1 TRP A 111 6.970 -3.449 -10.327 1.00 0.84 N ATOM 1694 CE2 TRP A 111 6.474 -2.176 -10.126 1.00 0.83 C ATOM 1695 CE3 TRP A 111 6.448 -0.610 -8.282 1.00 0.84 C ATOM 1696 CZ2 TRP A 111 5.776 -1.273 -10.928 1.00 1.03 C ATOM 1697 CZ3 TRP A 111 5.745 0.303 -9.086 1.00 1.07 C ATOM 1698 CH2 TRP A 111 5.410 -0.029 -10.407 1.00 1.14 C ATOM 0 H TRP A 111 9.701 -4.102 -5.305 1.00 0.46 H new ATOM 0 HA TRP A 111 9.969 -2.571 -7.831 1.00 0.51 H new ATOM 0 HB2 TRP A 111 8.099 -4.203 -6.556 1.00 0.55 H new ATOM 0 HB3 TRP A 111 7.498 -2.614 -6.128 1.00 0.55 H new ATOM 0 HD1 TRP A 111 8.069 -4.907 -9.108 1.00 0.73 H new ATOM 0 HE1 TRP A 111 6.881 -3.966 -11.202 1.00 0.84 H new ATOM 0 HE3 TRP A 111 6.701 -0.346 -7.266 1.00 0.84 H new ATOM 0 HZ2 TRP A 111 5.520 -1.533 -11.944 1.00 1.03 H new ATOM 0 HZ3 TRP A 111 5.461 1.265 -8.685 1.00 1.07 H new ATOM 0 HH2 TRP A 111 4.870 0.676 -11.021 1.00 1.14 H new ATOM 1709 N LEU A 112 9.709 -1.083 -4.962 1.00 0.55 N ATOM 1710 CA LEU A 112 9.748 0.269 -4.338 1.00 0.65 C ATOM 1711 C LEU A 112 11.182 0.811 -4.308 1.00 0.65 C ATOM 1712 O LEU A 112 11.397 2.005 -4.249 1.00 0.75 O ATOM 1713 CB LEU A 112 9.227 0.060 -2.915 1.00 0.74 C ATOM 1714 CG LEU A 112 7.698 0.126 -2.916 1.00 0.86 C ATOM 1715 CD1 LEU A 112 7.158 -0.551 -1.655 1.00 1.49 C ATOM 1716 CD2 LEU A 112 7.249 1.588 -2.945 1.00 1.10 C ATOM 0 H LEU A 112 9.793 -1.864 -4.312 1.00 0.55 H new ATOM 0 HA LEU A 112 9.152 0.993 -4.894 1.00 0.65 H new ATOM 0 HB2 LEU A 112 9.560 -0.905 -2.533 1.00 0.74 H new ATOM 0 HB3 LEU A 112 9.634 0.823 -2.252 1.00 0.74 H new ATOM 0 HG LEU A 112 7.313 -0.388 -3.797 1.00 0.86 H new ATOM 0 HD11 LEU A 112 6.069 -0.504 -1.655 1.00 1.49 H new ATOM 0 HD12 LEU A 112 7.477 -1.593 -1.637 1.00 1.49 H new ATOM 0 HD13 LEU A 112 7.543 -0.038 -0.774 1.00 1.49 H new ATOM 0 HD21 LEU A 112 6.160 1.634 -2.946 1.00 1.10 H new ATOM 0 HD22 LEU A 112 7.634 2.104 -2.065 1.00 1.10 H new ATOM 0 HD23 LEU A 112 7.633 2.069 -3.845 1.00 1.10 H new ATOM 1728 N LYS A 113 12.165 -0.050 -4.345 1.00 0.62 N ATOM 1729 CA LYS A 113 13.575 0.440 -4.314 1.00 0.70 C ATOM 1730 C LYS A 113 14.155 0.536 -5.733 1.00 0.75 C ATOM 1731 O LYS A 113 15.306 0.883 -5.914 1.00 1.01 O ATOM 1732 CB LYS A 113 14.337 -0.595 -3.480 1.00 0.79 C ATOM 1733 CG LYS A 113 14.399 -1.930 -4.229 1.00 1.42 C ATOM 1734 CD LYS A 113 15.708 -2.010 -5.013 1.00 1.84 C ATOM 1735 CE LYS A 113 16.151 -3.471 -5.123 1.00 2.39 C ATOM 1736 NZ LYS A 113 17.612 -3.410 -5.407 1.00 2.86 N ATOM 0 H LYS A 113 12.055 -1.063 -4.395 1.00 0.62 H new ATOM 0 HA LYS A 113 13.649 1.441 -3.888 1.00 0.70 H new ATOM 0 HB2 LYS A 113 15.346 -0.237 -3.275 1.00 0.79 H new ATOM 0 HB3 LYS A 113 13.845 -0.732 -2.517 1.00 0.79 H new ATOM 0 HG2 LYS A 113 14.333 -2.759 -3.524 1.00 1.42 H new ATOM 0 HG3 LYS A 113 13.550 -2.019 -4.907 1.00 1.42 H new ATOM 0 HD2 LYS A 113 15.575 -1.584 -6.007 1.00 1.84 H new ATOM 0 HD3 LYS A 113 16.479 -1.422 -4.515 1.00 1.84 H new ATOM 0 HE2 LYS A 113 15.951 -4.015 -4.200 1.00 2.39 H new ATOM 0 HE3 LYS A 113 15.615 -3.987 -5.920 1.00 2.39 H new ATOM 0 HZ1 LYS A 113 17.989 -4.375 -5.496 1.00 2.86 H new ATOM 0 HZ2 LYS A 113 17.772 -2.893 -6.295 1.00 2.86 H new ATOM 0 HZ3 LYS A 113 18.097 -2.920 -4.629 1.00 2.86 H new ATOM 1750 N LYS A 114 13.375 0.233 -6.737 1.00 0.71 N ATOM 1751 CA LYS A 114 13.898 0.313 -8.132 1.00 0.89 C ATOM 1752 C LYS A 114 14.354 1.740 -8.443 1.00 1.07 C ATOM 1753 O LYS A 114 15.173 1.965 -9.312 1.00 1.31 O ATOM 1754 CB LYS A 114 12.717 -0.079 -9.022 1.00 0.92 C ATOM 1755 CG LYS A 114 13.141 -0.016 -10.489 1.00 1.45 C ATOM 1756 CD LYS A 114 13.855 -1.315 -10.870 1.00 1.77 C ATOM 1757 CE LYS A 114 12.980 -2.113 -11.840 1.00 2.49 C ATOM 1758 NZ LYS A 114 13.917 -2.593 -12.894 1.00 3.00 N ATOM 0 H LYS A 114 12.403 -0.065 -6.652 1.00 0.71 H new ATOM 0 HA LYS A 114 14.759 -0.337 -8.289 1.00 0.89 H new ATOM 0 HB2 LYS A 114 12.379 -1.085 -8.773 1.00 0.92 H new ATOM 0 HB3 LYS A 114 11.877 0.593 -8.846 1.00 0.92 H new ATOM 0 HG2 LYS A 114 12.268 0.132 -11.125 1.00 1.45 H new ATOM 0 HG3 LYS A 114 13.802 0.836 -10.651 1.00 1.45 H new ATOM 0 HD2 LYS A 114 14.817 -1.092 -11.331 1.00 1.77 H new ATOM 0 HD3 LYS A 114 14.059 -1.906 -9.977 1.00 1.77 H new ATOM 0 HE2 LYS A 114 12.491 -2.947 -11.336 1.00 2.49 H new ATOM 0 HE3 LYS A 114 12.192 -1.491 -12.265 1.00 2.49 H new ATOM 0 HZ1 LYS A 114 13.392 -3.150 -13.598 1.00 3.00 H new ATOM 0 HZ2 LYS A 114 14.363 -1.777 -13.360 1.00 3.00 H new ATOM 0 HZ3 LYS A 114 14.652 -3.188 -12.461 1.00 3.00 H new ATOM 1772 N ARG A 115 13.829 2.706 -7.741 1.00 1.09 N ATOM 1773 CA ARG A 115 14.231 4.120 -7.999 1.00 1.40 C ATOM 1774 C ARG A 115 15.322 4.564 -7.016 1.00 1.25 C ATOM 1775 O ARG A 115 15.690 5.721 -6.974 1.00 1.55 O ATOM 1776 CB ARG A 115 12.955 4.936 -7.785 1.00 1.86 C ATOM 1777 CG ARG A 115 12.985 6.178 -8.678 1.00 2.43 C ATOM 1778 CD ARG A 115 11.864 6.089 -9.718 1.00 2.92 C ATOM 1779 NE ARG A 115 12.485 6.547 -10.992 1.00 3.45 N ATOM 1780 CZ ARG A 115 12.438 7.807 -11.326 1.00 3.99 C ATOM 1781 NH1 ARG A 115 11.287 8.387 -11.530 1.00 4.34 N ATOM 1782 NH2 ARG A 115 13.543 8.490 -11.455 1.00 4.52 N ATOM 0 H ARG A 115 13.139 2.579 -7.000 1.00 1.09 H new ATOM 0 HA ARG A 115 14.643 4.251 -9.000 1.00 1.40 H new ATOM 0 HB2 ARG A 115 12.080 4.329 -8.018 1.00 1.86 H new ATOM 0 HB3 ARG A 115 12.870 5.230 -6.739 1.00 1.86 H new ATOM 0 HG2 ARG A 115 12.863 7.077 -8.073 1.00 2.43 H new ATOM 0 HG3 ARG A 115 13.951 6.257 -9.176 1.00 2.43 H new ATOM 0 HD2 ARG A 115 11.487 5.070 -9.806 1.00 2.92 H new ATOM 0 HD3 ARG A 115 11.018 6.719 -9.442 1.00 2.92 H new ATOM 0 HE ARG A 115 12.948 5.875 -11.604 1.00 3.45 H new ATOM 0 HH11 ARG A 115 10.423 7.855 -11.428 1.00 4.34 H new ATOM 0 HH12 ARG A 115 11.252 9.372 -11.791 1.00 4.34 H new ATOM 0 HH21 ARG A 115 14.443 8.038 -11.295 1.00 4.52 H new ATOM 0 HH22 ARG A 115 13.506 9.475 -11.716 1.00 4.52 H new ATOM 1796 N THR A 116 15.845 3.664 -6.225 1.00 1.09 N ATOM 1797 CA THR A 116 16.908 4.059 -5.256 1.00 1.33 C ATOM 1798 C THR A 116 18.176 3.234 -5.492 1.00 1.97 C ATOM 1799 O THR A 116 19.190 3.747 -5.919 1.00 2.63 O ATOM 1800 CB THR A 116 16.318 3.760 -3.878 1.00 1.60 C ATOM 1801 OG1 THR A 116 15.572 2.552 -3.937 1.00 2.17 O ATOM 1802 CG2 THR A 116 15.401 4.910 -3.457 1.00 1.81 C ATOM 0 H THR A 116 15.584 2.678 -6.208 1.00 1.09 H new ATOM 0 HA THR A 116 17.192 5.106 -5.358 1.00 1.33 H new ATOM 0 HB THR A 116 17.123 3.654 -3.150 1.00 1.60 H new ATOM 0 HG1 THR A 116 15.601 2.107 -3.064 1.00 2.17 H new ATOM 0 HG21 THR A 116 14.979 4.698 -2.474 1.00 1.81 H new ATOM 0 HG22 THR A 116 15.975 5.836 -3.414 1.00 1.81 H new ATOM 0 HG23 THR A 116 14.595 5.017 -4.182 1.00 1.81 H new ATOM 1810 N GLY A 117 18.129 1.958 -5.216 1.00 2.26 N ATOM 1811 CA GLY A 117 19.334 1.108 -5.426 1.00 3.23 C ATOM 1812 C GLY A 117 19.676 0.373 -4.125 1.00 3.72 C ATOM 1813 O GLY A 117 19.171 0.716 -3.074 1.00 3.64 O ATOM 0 H GLY A 117 17.310 1.469 -4.855 1.00 2.26 H new ATOM 0 HA2 GLY A 117 19.150 0.389 -6.224 1.00 3.23 H new ATOM 0 HA3 GLY A 117 20.176 1.724 -5.740 1.00 3.23 H new ATOM 1817 N PRO A 118 20.527 -0.620 -4.234 1.00 4.60 N ATOM 1818 CA PRO A 118 20.929 -1.404 -3.040 1.00 5.37 C ATOM 1819 C PRO A 118 21.862 -0.581 -2.145 1.00 5.55 C ATOM 1820 O PRO A 118 21.998 -0.845 -0.966 1.00 5.89 O ATOM 1821 CB PRO A 118 21.665 -2.604 -3.629 1.00 6.27 C ATOM 1822 CG PRO A 118 22.161 -2.136 -4.962 1.00 6.17 C ATOM 1823 CD PRO A 118 21.183 -1.104 -5.458 1.00 5.22 C ATOM 0 HA PRO A 118 20.084 -1.692 -2.415 1.00 5.37 H new ATOM 0 HB2 PRO A 118 22.490 -2.915 -2.988 1.00 6.27 H new ATOM 0 HB3 PRO A 118 21.001 -3.462 -3.734 1.00 6.27 H new ATOM 0 HG2 PRO A 118 23.160 -1.709 -4.874 1.00 6.17 H new ATOM 0 HG3 PRO A 118 22.231 -2.969 -5.662 1.00 6.17 H new ATOM 0 HD2 PRO A 118 21.689 -0.296 -5.986 1.00 5.22 H new ATOM 0 HD3 PRO A 118 20.463 -1.537 -6.152 1.00 5.22 H new ATOM 1831 N ALA A 119 22.506 0.412 -2.695 1.00 5.74 N ATOM 1832 CA ALA A 119 23.430 1.246 -1.874 1.00 6.37 C ATOM 1833 C ALA A 119 22.632 2.229 -1.011 1.00 7.12 C ATOM 1834 O ALA A 119 21.627 2.766 -1.431 1.00 7.52 O ATOM 1835 CB ALA A 119 24.292 2.000 -2.887 1.00 6.62 C ATOM 0 H ALA A 119 22.433 0.682 -3.676 1.00 5.74 H new ATOM 0 HA ALA A 119 24.033 0.644 -1.194 1.00 6.37 H new ATOM 0 HB1 ALA A 119 25.000 2.638 -2.359 1.00 6.62 H new ATOM 0 HB2 ALA A 119 24.837 1.286 -3.504 1.00 6.62 H new ATOM 0 HB3 ALA A 119 23.654 2.615 -3.522 1.00 6.62 H new ATOM 1841 N ALA A 120 23.077 2.468 0.194 1.00 7.64 N ATOM 1842 CA ALA A 120 22.349 3.415 1.088 1.00 8.64 C ATOM 1843 C ALA A 120 20.882 2.999 1.220 1.00 9.09 C ATOM 1844 O ALA A 120 20.026 3.841 1.004 1.00 9.37 O ATOM 1845 CB ALA A 120 22.461 4.778 0.402 1.00 9.17 C ATOM 1846 OXT ALA A 120 20.640 1.845 1.535 1.00 9.38 O ATOM 0 H ALA A 120 23.914 2.048 0.598 1.00 7.64 H new ATOM 0 HA ALA A 120 22.765 3.431 2.095 1.00 8.64 H new ATOM 0 HB1 ALA A 120 21.948 5.530 1.001 1.00 9.17 H new ATOM 0 HB2 ALA A 120 23.512 5.049 0.301 1.00 9.17 H new ATOM 0 HB3 ALA A 120 22.003 4.727 -0.586 1.00 9.17 H new TER 1852 ALA A 120