USER MOD reduce.3.24.130724 H: found=0, std=0, add=871, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 869 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 15 SER OG : rot 78:sc= 0.0572 USER MOD Set 1.2: A 16 ASN : amide:sc= -0.61 K(o=-0.55,f=-3.8!) USER MOD Single : A 8 HIS : no HD1:sc= -0.0104 X(o=-0.01,f=-0.018) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 HIS : no HD1:sc= -0.0162 X(o=-0.016,f=-0.094) 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 83:sc= 1.15 USER MOD Single : A 38 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 TYR OH : rot 161:sc= -1.49 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 131:sc= -2.47! USER MOD Single : A 71 SER OG : rot 61:sc= 1.25 USER MOD Single : A 75 GLN : amide:sc= 0 X(o=0,f=-0.028) USER MOD Single : A 76 GLN : amide:sc= -0.972 K(o=-0.97,f=-6.4!) USER MOD Single : A 77 TYR OH : rot 65:sc= 0.0826 USER MOD Single : A 82 TYR OH : rot -171:sc= -4.02! USER MOD Single : A 84 THR OG1 : rot -90:sc= 0.723 USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 ASN : amide:sc= -0.916 X(o=-0.92,f=-0.54) USER MOD Single : A 93 THR OG1 : rot 14:sc= 0.0819 USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 TYR OH : rot -127:sc= -4.73 USER MOD Single : A 100 THR OG1 : rot 180:sc= 0.0662 USER MOD Single : A 110 ASN : amide:sc= 0 X(o=0,f=-0.01) USER MOD Single : A 113 LYS NZ :NH3+ -158:sc= 0 (180deg=-0.481) USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 39 N GLU A 4 -4.257 4.136 13.179 1.00 1.37 N ATOM 40 CA GLU A 4 -3.938 2.749 13.629 1.00 1.14 C ATOM 41 C GLU A 4 -3.095 2.039 12.567 1.00 0.89 C ATOM 42 O GLU A 4 -3.075 2.430 11.417 1.00 1.30 O ATOM 43 CB GLU A 4 -5.295 2.062 13.783 1.00 1.67 C ATOM 44 CG GLU A 4 -5.438 1.525 15.209 1.00 2.39 C ATOM 45 CD GLU A 4 -5.262 0.005 15.199 1.00 2.65 C ATOM 46 OE1 GLU A 4 -4.199 -0.445 14.807 1.00 3.09 O ATOM 47 OE2 GLU A 4 -6.194 -0.681 15.584 1.00 3.05 O ATOM 0 HA GLU A 4 -3.367 2.732 14.557 1.00 1.14 H new ATOM 0 HB2 GLU A 4 -6.098 2.767 13.567 1.00 1.67 H new ATOM 0 HB3 GLU A 4 -5.385 1.246 13.065 1.00 1.67 H new ATOM 0 HG2 GLU A 4 -4.693 1.984 15.859 1.00 2.39 H new ATOM 0 HG3 GLU A 4 -6.417 1.786 15.612 1.00 2.39 H new ATOM 54 N GLU A 5 -2.397 1.002 12.939 1.00 1.00 N ATOM 55 CA GLU A 5 -1.559 0.277 11.940 1.00 0.81 C ATOM 56 C GLU A 5 -1.755 -1.234 12.067 1.00 0.87 C ATOM 57 O GLU A 5 -2.430 -1.713 12.957 1.00 1.15 O ATOM 58 CB GLU A 5 -0.116 0.654 12.276 1.00 0.95 C ATOM 59 CG GLU A 5 0.088 2.155 12.060 1.00 1.46 C ATOM 60 CD GLU A 5 1.586 2.460 11.999 1.00 1.82 C ATOM 61 OE1 GLU A 5 2.232 2.371 13.030 1.00 2.50 O ATOM 62 OE2 GLU A 5 2.063 2.777 10.921 1.00 2.19 O ATOM 0 H GLU A 5 -2.370 0.626 13.887 1.00 1.00 H new ATOM 0 HA GLU A 5 -1.826 0.546 10.918 1.00 0.81 H new ATOM 0 HB2 GLU A 5 0.107 0.392 13.310 1.00 0.95 H new ATOM 0 HB3 GLU A 5 0.573 0.089 11.648 1.00 0.95 H new ATOM 0 HG2 GLU A 5 -0.396 2.470 11.136 1.00 1.46 H new ATOM 0 HG3 GLU A 5 -0.376 2.717 12.871 1.00 1.46 H new ATOM 69 N GLU A 6 -1.165 -1.984 11.181 1.00 0.79 N ATOM 70 CA GLU A 6 -1.304 -3.467 11.236 1.00 1.04 C ATOM 71 C GLU A 6 0.076 -4.120 11.137 1.00 1.10 C ATOM 72 O GLU A 6 0.754 -4.006 10.134 1.00 1.76 O ATOM 73 CB GLU A 6 -2.160 -3.828 10.023 1.00 1.28 C ATOM 74 CG GLU A 6 -3.625 -3.943 10.447 1.00 1.68 C ATOM 75 CD GLU A 6 -3.938 -5.395 10.813 1.00 1.97 C ATOM 76 OE1 GLU A 6 -3.923 -6.226 9.921 1.00 2.63 O ATOM 77 OE2 GLU A 6 -4.188 -5.650 11.979 1.00 2.24 O ATOM 0 H GLU A 6 -0.589 -1.633 10.416 1.00 0.79 H new ATOM 0 HA GLU A 6 -1.756 -3.812 12.166 1.00 1.04 H new ATOM 0 HB2 GLU A 6 -2.053 -3.067 9.250 1.00 1.28 H new ATOM 0 HB3 GLU A 6 -1.820 -4.770 9.592 1.00 1.28 H new ATOM 0 HG2 GLU A 6 -3.820 -3.292 11.299 1.00 1.68 H new ATOM 0 HG3 GLU A 6 -4.276 -3.612 9.638 1.00 1.68 H new ATOM 84 N ASP A 7 0.503 -4.796 12.169 1.00 1.27 N ATOM 85 CA ASP A 7 1.845 -5.450 12.138 1.00 1.35 C ATOM 86 C ASP A 7 2.932 -4.403 11.849 1.00 1.28 C ATOM 87 O ASP A 7 3.501 -3.829 12.756 1.00 2.01 O ATOM 88 CB ASP A 7 1.768 -6.491 11.016 1.00 1.53 C ATOM 89 CG ASP A 7 1.569 -7.881 11.622 1.00 1.92 C ATOM 90 OD1 ASP A 7 0.515 -8.112 12.192 1.00 2.57 O ATOM 91 OD2 ASP A 7 2.474 -8.692 11.505 1.00 2.36 O ATOM 0 H ASP A 7 -0.020 -4.924 13.035 1.00 1.27 H new ATOM 0 HA ASP A 7 2.101 -5.916 13.090 1.00 1.35 H new ATOM 0 HB2 ASP A 7 0.944 -6.255 10.343 1.00 1.53 H new ATOM 0 HB3 ASP A 7 2.682 -6.469 10.422 1.00 1.53 H new ATOM 96 N HIS A 8 3.225 -4.148 10.601 1.00 1.21 N ATOM 97 CA HIS A 8 4.275 -3.136 10.278 1.00 1.11 C ATOM 98 C HIS A 8 3.745 -2.090 9.285 1.00 0.81 C ATOM 99 O HIS A 8 4.375 -1.079 9.048 1.00 0.87 O ATOM 100 CB HIS A 8 5.414 -3.938 9.650 1.00 1.32 C ATOM 101 CG HIS A 8 6.001 -4.867 10.678 1.00 1.61 C ATOM 102 ND1 HIS A 8 5.921 -6.245 10.561 1.00 2.30 N ATOM 103 CD2 HIS A 8 6.681 -4.629 11.848 1.00 2.02 C ATOM 104 CE1 HIS A 8 6.538 -6.781 11.631 1.00 2.53 C ATOM 105 NE2 HIS A 8 7.019 -5.839 12.447 1.00 2.33 N ATOM 0 H HIS A 8 2.786 -4.593 9.795 1.00 1.21 H new ATOM 0 HA HIS A 8 4.594 -2.587 11.164 1.00 1.11 H new ATOM 0 HB2 HIS A 8 5.044 -4.508 8.798 1.00 1.32 H new ATOM 0 HB3 HIS A 8 6.183 -3.264 9.273 1.00 1.32 H new ATOM 0 HD2 HIS A 8 6.917 -3.652 12.243 1.00 2.02 H new ATOM 0 HE1 HIS A 8 6.632 -7.842 11.808 1.00 2.53 H new ATOM 0 HE2 HIS A 8 7.525 -5.977 13.322 1.00 2.33 H new ATOM 113 N VAL A 9 2.598 -2.321 8.699 1.00 0.69 N ATOM 114 CA VAL A 9 2.049 -1.339 7.727 1.00 0.49 C ATOM 115 C VAL A 9 0.876 -0.582 8.349 1.00 0.41 C ATOM 116 O VAL A 9 0.469 -0.853 9.461 1.00 0.54 O ATOM 117 CB VAL A 9 1.583 -2.186 6.548 1.00 0.68 C ATOM 118 CG1 VAL A 9 2.777 -2.940 5.960 1.00 0.89 C ATOM 119 CG2 VAL A 9 0.527 -3.187 7.021 1.00 0.88 C ATOM 0 H VAL A 9 2.021 -3.148 8.854 1.00 0.69 H new ATOM 0 HA VAL A 9 2.781 -0.589 7.428 1.00 0.49 H new ATOM 0 HB VAL A 9 1.150 -1.539 5.785 1.00 0.68 H new ATOM 0 HG11 VAL A 9 2.445 -3.546 5.117 1.00 0.89 H new ATOM 0 HG12 VAL A 9 3.527 -2.226 5.621 1.00 0.89 H new ATOM 0 HG13 VAL A 9 3.211 -3.586 6.723 1.00 0.89 H new ATOM 0 HG21 VAL A 9 0.195 -3.792 6.177 1.00 0.88 H new ATOM 0 HG22 VAL A 9 0.956 -3.835 7.785 1.00 0.88 H new ATOM 0 HG23 VAL A 9 -0.324 -2.648 7.438 1.00 0.88 H new ATOM 129 N LEU A 10 0.332 0.370 7.644 1.00 0.41 N ATOM 130 CA LEU A 10 -0.807 1.146 8.200 1.00 0.54 C ATOM 131 C LEU A 10 -2.088 0.861 7.426 1.00 0.42 C ATOM 132 O LEU A 10 -2.112 0.089 6.488 1.00 0.59 O ATOM 133 CB LEU A 10 -0.414 2.610 8.032 1.00 0.83 C ATOM 134 CG LEU A 10 -0.064 2.891 6.567 1.00 0.96 C ATOM 135 CD1 LEU A 10 -0.847 4.113 6.082 1.00 1.30 C ATOM 136 CD2 LEU A 10 1.435 3.166 6.443 1.00 1.49 C ATOM 0 H LEU A 10 0.628 0.643 6.707 1.00 0.41 H new ATOM 0 HA LEU A 10 -0.999 0.883 9.240 1.00 0.54 H new ATOM 0 HB2 LEU A 10 -1.234 3.254 8.349 1.00 0.83 H new ATOM 0 HB3 LEU A 10 0.439 2.842 8.670 1.00 0.83 H new ATOM 0 HG LEU A 10 -0.326 2.025 5.959 1.00 0.96 H new ATOM 0 HD11 LEU A 10 -0.599 4.314 5.040 1.00 1.30 H new ATOM 0 HD12 LEU A 10 -1.916 3.918 6.169 1.00 1.30 H new ATOM 0 HD13 LEU A 10 -0.585 4.978 6.691 1.00 1.30 H new ATOM 0 HD21 LEU A 10 1.683 3.366 5.401 1.00 1.49 H new ATOM 0 HD22 LEU A 10 1.698 4.032 7.051 1.00 1.49 H new ATOM 0 HD23 LEU A 10 1.994 2.297 6.789 1.00 1.49 H new ATOM 148 N VAL A 11 -3.150 1.499 7.815 1.00 0.54 N ATOM 149 CA VAL A 11 -4.448 1.301 7.111 1.00 0.46 C ATOM 150 C VAL A 11 -4.944 2.642 6.570 1.00 0.43 C ATOM 151 O VAL A 11 -4.572 3.690 7.058 1.00 0.54 O ATOM 152 CB VAL A 11 -5.405 0.757 8.175 1.00 0.61 C ATOM 153 CG1 VAL A 11 -5.536 1.768 9.318 1.00 1.39 C ATOM 154 CG2 VAL A 11 -6.777 0.517 7.544 1.00 1.04 C ATOM 0 H VAL A 11 -3.178 2.155 8.596 1.00 0.54 H new ATOM 0 HA VAL A 11 -4.366 0.620 6.264 1.00 0.46 H new ATOM 0 HB VAL A 11 -5.014 -0.181 8.570 1.00 0.61 H new ATOM 0 HG11 VAL A 11 -6.218 1.377 10.073 1.00 1.39 H new ATOM 0 HG12 VAL A 11 -4.557 1.939 9.766 1.00 1.39 H new ATOM 0 HG13 VAL A 11 -5.926 2.709 8.929 1.00 1.39 H new ATOM 0 HG21 VAL A 11 -7.462 0.129 8.298 1.00 1.04 H new ATOM 0 HG22 VAL A 11 -7.165 1.456 7.150 1.00 1.04 H new ATOM 0 HG23 VAL A 11 -6.683 -0.206 6.734 1.00 1.04 H new ATOM 164 N LEU A 12 -5.770 2.625 5.562 1.00 0.40 N ATOM 165 CA LEU A 12 -6.266 3.913 5.000 1.00 0.45 C ATOM 166 C LEU A 12 -7.790 3.991 5.082 1.00 0.44 C ATOM 167 O LEU A 12 -8.464 3.012 5.336 1.00 0.58 O ATOM 168 CB LEU A 12 -5.799 3.912 3.542 1.00 0.63 C ATOM 169 CG LEU A 12 -5.065 5.222 3.227 1.00 0.76 C ATOM 170 CD1 LEU A 12 -3.915 5.428 4.220 1.00 0.82 C ATOM 171 CD2 LEU A 12 -4.500 5.153 1.808 1.00 1.16 C ATOM 0 H LEU A 12 -6.121 1.783 5.106 1.00 0.40 H new ATOM 0 HA LEU A 12 -5.886 4.773 5.551 1.00 0.45 H new ATOM 0 HB2 LEU A 12 -5.139 3.063 3.363 1.00 0.63 H new ATOM 0 HB3 LEU A 12 -6.655 3.796 2.877 1.00 0.63 H new ATOM 0 HG LEU A 12 -5.763 6.055 3.309 1.00 0.76 H new ATOM 0 HD11 LEU A 12 -3.398 6.360 3.990 1.00 0.82 H new ATOM 0 HD12 LEU A 12 -4.313 5.474 5.234 1.00 0.82 H new ATOM 0 HD13 LEU A 12 -3.215 4.596 4.143 1.00 0.82 H new ATOM 0 HD21 LEU A 12 -3.977 6.082 1.579 1.00 1.16 H new ATOM 0 HD22 LEU A 12 -3.804 4.317 1.734 1.00 1.16 H new ATOM 0 HD23 LEU A 12 -5.315 5.011 1.098 1.00 1.16 H new ATOM 183 N ARG A 13 -8.334 5.156 4.871 1.00 0.47 N ATOM 184 CA ARG A 13 -9.810 5.324 4.935 1.00 0.55 C ATOM 185 C ARG A 13 -10.226 6.544 4.110 1.00 0.54 C ATOM 186 O ARG A 13 -9.430 7.126 3.402 1.00 0.73 O ATOM 187 CB ARG A 13 -10.115 5.551 6.417 1.00 0.69 C ATOM 188 CG ARG A 13 -10.869 4.345 6.977 1.00 1.19 C ATOM 189 CD ARG A 13 -11.098 4.540 8.478 1.00 1.28 C ATOM 190 NE ARG A 13 -9.919 3.903 9.131 1.00 1.86 N ATOM 191 CZ ARG A 13 -9.250 4.549 10.046 1.00 2.30 C ATOM 192 NH1 ARG A 13 -9.861 5.406 10.817 1.00 2.68 N ATOM 193 NH2 ARG A 13 -7.972 4.338 10.190 1.00 2.84 N ATOM 0 H ARG A 13 -7.814 6.006 4.655 1.00 0.47 H new ATOM 0 HA ARG A 13 -10.348 4.464 4.536 1.00 0.55 H new ATOM 0 HB2 ARG A 13 -9.188 5.702 6.970 1.00 0.69 H new ATOM 0 HB3 ARG A 13 -10.711 6.455 6.541 1.00 0.69 H new ATOM 0 HG2 ARG A 13 -11.824 4.229 6.464 1.00 1.19 H new ATOM 0 HG3 ARG A 13 -10.300 3.432 6.800 1.00 1.19 H new ATOM 0 HD2 ARG A 13 -11.168 5.597 8.733 1.00 1.28 H new ATOM 0 HD3 ARG A 13 -12.029 4.073 8.800 1.00 1.28 H new ATOM 0 HE ARG A 13 -9.635 2.961 8.862 1.00 1.86 H new ATOM 0 HH11 ARG A 13 -10.861 5.571 10.704 1.00 2.68 H new ATOM 0 HH12 ARG A 13 -9.338 5.911 11.533 1.00 2.68 H new ATOM 0 HH21 ARG A 13 -7.495 3.668 9.587 1.00 2.84 H new ATOM 0 HH22 ARG A 13 -7.449 4.843 10.905 1.00 2.84 H new ATOM 207 N LYS A 14 -11.464 6.936 4.197 1.00 0.58 N ATOM 208 CA LYS A 14 -11.926 8.121 3.421 1.00 0.63 C ATOM 209 C LYS A 14 -11.270 9.396 3.960 1.00 0.65 C ATOM 210 O LYS A 14 -11.234 10.414 3.297 1.00 0.83 O ATOM 211 CB LYS A 14 -13.436 8.169 3.640 1.00 0.74 C ATOM 212 CG LYS A 14 -14.149 8.235 2.288 1.00 1.26 C ATOM 213 CD LYS A 14 -14.461 9.693 1.948 1.00 1.92 C ATOM 214 CE LYS A 14 -15.574 9.749 0.900 1.00 2.26 C ATOM 215 NZ LYS A 14 -15.910 11.194 0.772 1.00 2.80 N ATOM 0 H LYS A 14 -12.178 6.488 4.772 1.00 0.58 H new ATOM 0 HA LYS A 14 -11.665 8.050 2.365 1.00 0.63 H new ATOM 0 HB2 LYS A 14 -13.762 7.287 4.192 1.00 0.74 H new ATOM 0 HB3 LYS A 14 -13.699 9.038 4.244 1.00 0.74 H new ATOM 0 HG2 LYS A 14 -13.522 7.795 1.512 1.00 1.26 H new ATOM 0 HG3 LYS A 14 -15.070 7.653 2.321 1.00 1.26 H new ATOM 0 HD2 LYS A 14 -14.767 10.229 2.847 1.00 1.92 H new ATOM 0 HD3 LYS A 14 -13.567 10.188 1.570 1.00 1.92 H new ATOM 0 HE2 LYS A 14 -15.241 9.335 -0.052 1.00 2.26 H new ATOM 0 HE3 LYS A 14 -16.441 9.168 1.214 1.00 2.26 H new ATOM 0 HZ1 LYS A 14 -16.667 11.313 0.069 1.00 2.80 H new ATOM 0 HZ2 LYS A 14 -16.230 11.559 1.692 1.00 2.80 H new ATOM 0 HZ3 LYS A 14 -15.067 11.721 0.465 1.00 2.80 H new ATOM 229 N SER A 15 -10.763 9.355 5.163 1.00 0.68 N ATOM 230 CA SER A 15 -10.125 10.573 5.743 1.00 0.88 C ATOM 231 C SER A 15 -8.596 10.452 5.735 1.00 0.81 C ATOM 232 O SER A 15 -7.892 11.438 5.650 1.00 1.05 O ATOM 233 CB SER A 15 -10.645 10.639 7.178 1.00 1.10 C ATOM 234 OG SER A 15 -10.747 9.324 7.707 1.00 1.68 O ATOM 0 H SER A 15 -10.763 8.534 5.768 1.00 0.68 H new ATOM 0 HA SER A 15 -10.366 11.468 5.170 1.00 0.88 H new ATOM 0 HB2 SER A 15 -9.973 11.238 7.792 1.00 1.10 H new ATOM 0 HB3 SER A 15 -11.619 11.128 7.201 1.00 1.10 H new ATOM 0 HG SER A 15 -9.856 9.003 7.959 1.00 1.68 H new ATOM 240 N ASN A 16 -8.074 9.259 5.830 1.00 0.65 N ATOM 241 CA ASN A 16 -6.588 9.102 5.836 1.00 0.68 C ATOM 242 C ASN A 16 -6.040 9.070 4.409 1.00 0.55 C ATOM 243 O ASN A 16 -4.895 9.392 4.170 1.00 0.56 O ATOM 244 CB ASN A 16 -6.322 7.764 6.525 1.00 0.87 C ATOM 245 CG ASN A 16 -6.936 7.768 7.924 1.00 0.91 C ATOM 246 OD1 ASN A 16 -7.561 8.730 8.326 1.00 1.74 O ATOM 247 ND2 ASN A 16 -6.780 6.723 8.688 1.00 0.98 N ATOM 0 H ASN A 16 -8.606 8.392 5.903 1.00 0.65 H new ATOM 0 HA ASN A 16 -6.103 9.933 6.347 1.00 0.68 H new ATOM 0 HB2 ASN A 16 -6.745 6.951 5.935 1.00 0.87 H new ATOM 0 HB3 ASN A 16 -5.249 7.586 6.590 1.00 0.87 H new ATOM 0 HD21 ASN A 16 -7.183 6.712 9.625 1.00 0.98 H new ATOM 0 HD22 ASN A 16 -6.255 5.917 8.349 1.00 0.98 H new ATOM 254 N PHE A 17 -6.838 8.672 3.460 1.00 0.55 N ATOM 255 CA PHE A 17 -6.343 8.610 2.054 1.00 0.51 C ATOM 256 C PHE A 17 -5.817 9.977 1.603 1.00 0.46 C ATOM 257 O PHE A 17 -4.642 10.145 1.350 1.00 0.52 O ATOM 258 CB PHE A 17 -7.557 8.204 1.222 1.00 0.56 C ATOM 259 CG PHE A 17 -7.110 7.895 -0.186 1.00 0.62 C ATOM 260 CD1 PHE A 17 -6.979 8.928 -1.121 1.00 0.79 C ATOM 261 CD2 PHE A 17 -6.823 6.576 -0.556 1.00 0.78 C ATOM 262 CE1 PHE A 17 -6.562 8.643 -2.425 1.00 0.90 C ATOM 263 CE2 PHE A 17 -6.405 6.290 -1.861 1.00 0.89 C ATOM 264 CZ PHE A 17 -6.275 7.324 -2.796 1.00 0.87 C ATOM 0 H PHE A 17 -7.808 8.387 3.594 1.00 0.55 H new ATOM 0 HA PHE A 17 -5.517 7.907 1.945 1.00 0.51 H new ATOM 0 HB2 PHE A 17 -8.040 7.332 1.663 1.00 0.56 H new ATOM 0 HB3 PHE A 17 -8.294 9.007 1.215 1.00 0.56 H new ATOM 0 HD1 PHE A 17 -7.200 9.946 -0.835 1.00 0.79 H new ATOM 0 HD2 PHE A 17 -6.924 5.779 0.165 1.00 0.78 H new ATOM 0 HE1 PHE A 17 -6.461 9.441 -3.146 1.00 0.90 H new ATOM 0 HE2 PHE A 17 -6.183 5.272 -2.146 1.00 0.89 H new ATOM 0 HZ PHE A 17 -5.953 7.104 -3.803 1.00 0.87 H new ATOM 274 N ALA A 18 -6.680 10.949 1.493 1.00 0.52 N ATOM 275 CA ALA A 18 -6.233 12.302 1.048 1.00 0.66 C ATOM 276 C ALA A 18 -5.076 12.803 1.918 1.00 0.59 C ATOM 277 O ALA A 18 -4.318 13.666 1.520 1.00 0.75 O ATOM 278 CB ALA A 18 -7.459 13.199 1.224 1.00 0.84 C ATOM 0 H ALA A 18 -7.677 10.866 1.692 1.00 0.52 H new ATOM 0 HA ALA A 18 -5.871 12.294 0.020 1.00 0.66 H new ATOM 0 HB1 ALA A 18 -7.213 14.216 0.917 1.00 0.84 H new ATOM 0 HB2 ALA A 18 -8.277 12.822 0.609 1.00 0.84 H new ATOM 0 HB3 ALA A 18 -7.762 13.199 2.271 1.00 0.84 H new ATOM 284 N GLU A 19 -4.937 12.275 3.102 1.00 0.46 N ATOM 285 CA GLU A 19 -3.833 12.727 3.995 1.00 0.49 C ATOM 286 C GLU A 19 -2.589 11.863 3.782 1.00 0.48 C ATOM 287 O GLU A 19 -1.553 12.340 3.367 1.00 0.56 O ATOM 288 CB GLU A 19 -4.377 12.539 5.410 1.00 0.55 C ATOM 289 CG GLU A 19 -3.366 13.087 6.420 1.00 0.69 C ATOM 290 CD GLU A 19 -3.932 12.954 7.835 1.00 1.04 C ATOM 291 OE1 GLU A 19 -4.272 11.845 8.215 1.00 1.78 O ATOM 292 OE2 GLU A 19 -4.016 13.963 8.516 1.00 1.66 O ATOM 0 H GLU A 19 -5.540 11.550 3.490 1.00 0.46 H new ATOM 0 HA GLU A 19 -3.538 13.758 3.800 1.00 0.49 H new ATOM 0 HB2 GLU A 19 -5.331 13.056 5.516 1.00 0.55 H new ATOM 0 HB3 GLU A 19 -4.564 11.482 5.602 1.00 0.55 H new ATOM 0 HG2 GLU A 19 -2.425 12.542 6.341 1.00 0.69 H new ATOM 0 HG3 GLU A 19 -3.148 14.132 6.201 1.00 0.69 H new ATOM 299 N ALA A 20 -2.686 10.595 4.069 1.00 0.45 N ATOM 300 CA ALA A 20 -1.513 9.687 3.893 1.00 0.53 C ATOM 301 C ALA A 20 -0.860 9.898 2.522 1.00 0.57 C ATOM 302 O ALA A 20 0.342 9.799 2.376 1.00 0.71 O ATOM 303 CB ALA A 20 -2.090 8.276 4.003 1.00 0.57 C ATOM 0 H ALA A 20 -3.531 10.144 4.420 1.00 0.45 H new ATOM 0 HA ALA A 20 -0.737 9.874 4.635 1.00 0.53 H new ATOM 0 HB1 ALA A 20 -1.290 7.545 3.884 1.00 0.57 H new ATOM 0 HB2 ALA A 20 -2.556 8.149 4.980 1.00 0.57 H new ATOM 0 HB3 ALA A 20 -2.837 8.126 3.223 1.00 0.57 H new ATOM 309 N LEU A 21 -1.641 10.192 1.520 1.00 0.55 N ATOM 310 CA LEU A 21 -1.057 10.412 0.165 1.00 0.69 C ATOM 311 C LEU A 21 -0.261 11.717 0.141 1.00 0.75 C ATOM 312 O LEU A 21 0.893 11.748 -0.239 1.00 0.92 O ATOM 313 CB LEU A 21 -2.256 10.499 -0.779 1.00 0.74 C ATOM 314 CG LEU A 21 -2.291 9.257 -1.672 1.00 0.84 C ATOM 315 CD1 LEU A 21 -3.377 8.301 -1.174 1.00 0.90 C ATOM 316 CD2 LEU A 21 -2.602 9.674 -3.111 1.00 1.44 C ATOM 0 H LEU A 21 -2.655 10.289 1.579 1.00 0.55 H new ATOM 0 HA LEU A 21 -0.372 9.614 -0.122 1.00 0.69 H new ATOM 0 HB2 LEU A 21 -3.180 10.574 -0.205 1.00 0.74 H new ATOM 0 HB3 LEU A 21 -2.187 11.398 -1.391 1.00 0.74 H new ATOM 0 HG LEU A 21 -1.323 8.757 -1.638 1.00 0.84 H new ATOM 0 HD11 LEU A 21 -3.402 7.416 -1.810 1.00 0.90 H new ATOM 0 HD12 LEU A 21 -3.158 8.005 -0.148 1.00 0.90 H new ATOM 0 HD13 LEU A 21 -4.345 8.800 -1.209 1.00 0.90 H new ATOM 0 HD21 LEU A 21 -2.627 8.790 -3.749 1.00 1.44 H new ATOM 0 HD22 LEU A 21 -3.570 10.173 -3.144 1.00 1.44 H new ATOM 0 HD23 LEU A 21 -1.830 10.356 -3.467 1.00 1.44 H new ATOM 328 N ALA A 22 -0.870 12.794 0.546 1.00 0.71 N ATOM 329 CA ALA A 22 -0.154 14.103 0.553 1.00 0.85 C ATOM 330 C ALA A 22 0.687 14.255 1.829 1.00 0.89 C ATOM 331 O ALA A 22 1.329 15.265 2.038 1.00 1.08 O ATOM 332 CB ALA A 22 -1.260 15.157 0.518 1.00 1.00 C ATOM 0 H ALA A 22 -1.835 12.827 0.874 1.00 0.71 H new ATOM 0 HA ALA A 22 0.533 14.196 -0.288 1.00 0.85 H new ATOM 0 HB1 ALA A 22 -0.815 16.152 0.521 1.00 1.00 H new ATOM 0 HB2 ALA A 22 -1.856 15.029 -0.385 1.00 1.00 H new ATOM 0 HB3 ALA A 22 -1.899 15.043 1.394 1.00 1.00 H new ATOM 338 N ALA A 23 0.691 13.266 2.684 1.00 0.86 N ATOM 339 CA ALA A 23 1.488 13.367 3.939 1.00 0.93 C ATOM 340 C ALA A 23 2.820 12.630 3.781 1.00 0.85 C ATOM 341 O ALA A 23 3.859 13.111 4.190 1.00 0.95 O ATOM 342 CB ALA A 23 0.625 12.695 5.009 1.00 1.05 C ATOM 0 H ALA A 23 0.176 12.393 2.566 1.00 0.86 H new ATOM 0 HA ALA A 23 1.727 14.399 4.196 1.00 0.93 H new ATOM 0 HB1 ALA A 23 1.143 12.728 5.968 1.00 1.05 H new ATOM 0 HB2 ALA A 23 -0.326 13.221 5.092 1.00 1.05 H new ATOM 0 HB3 ALA A 23 0.442 11.657 4.730 1.00 1.05 H new ATOM 348 N HIS A 24 2.798 11.467 3.191 1.00 0.83 N ATOM 349 CA HIS A 24 4.063 10.700 3.005 1.00 0.84 C ATOM 350 C HIS A 24 4.365 10.536 1.513 1.00 0.82 C ATOM 351 O HIS A 24 3.547 10.055 0.754 1.00 1.30 O ATOM 352 CB HIS A 24 3.796 9.340 3.649 1.00 0.95 C ATOM 353 CG HIS A 24 4.229 9.370 5.089 1.00 1.22 C ATOM 354 ND1 HIS A 24 5.560 9.482 5.458 1.00 1.80 N ATOM 355 CD2 HIS A 24 3.519 9.305 6.261 1.00 1.84 C ATOM 356 CE1 HIS A 24 5.610 9.479 6.802 1.00 2.04 C ATOM 357 NE2 HIS A 24 4.393 9.372 7.343 1.00 2.00 N ATOM 0 H HIS A 24 1.959 11.014 2.829 1.00 0.83 H new ATOM 0 HA HIS A 24 4.922 11.202 3.450 1.00 0.84 H new ATOM 0 HB2 HIS A 24 2.736 9.097 3.583 1.00 0.95 H new ATOM 0 HB3 HIS A 24 4.336 8.560 3.112 1.00 0.95 H new ATOM 0 HD2 HIS A 24 2.445 9.215 6.334 1.00 1.84 H new ATOM 0 HE1 HIS A 24 6.523 9.554 7.374 1.00 2.04 H new ATOM 0 HE2 HIS A 24 4.155 9.345 8.335 1.00 2.00 H new ATOM 365 N LYS A 25 5.533 10.932 1.085 1.00 0.72 N ATOM 366 CA LYS A 25 5.883 10.795 -0.359 1.00 0.69 C ATOM 367 C LYS A 25 5.661 9.352 -0.821 1.00 0.59 C ATOM 368 O LYS A 25 4.809 9.077 -1.642 1.00 0.68 O ATOM 369 CB LYS A 25 7.365 11.167 -0.444 1.00 0.81 C ATOM 370 CG LYS A 25 7.688 11.657 -1.857 1.00 1.20 C ATOM 371 CD LYS A 25 7.993 13.155 -1.819 1.00 1.51 C ATOM 372 CE LYS A 25 9.504 13.365 -1.680 1.00 2.06 C ATOM 373 NZ LYS A 25 9.846 14.381 -2.713 1.00 2.47 N ATOM 0 H LYS A 25 6.259 11.344 1.671 1.00 0.72 H new ATOM 0 HA LYS A 25 5.268 11.430 -0.997 1.00 0.69 H new ATOM 0 HB2 LYS A 25 7.598 11.944 0.284 1.00 0.81 H new ATOM 0 HB3 LYS A 25 7.982 10.303 -0.197 1.00 0.81 H new ATOM 0 HG2 LYS A 25 8.543 11.111 -2.256 1.00 1.20 H new ATOM 0 HG3 LYS A 25 6.847 11.463 -2.522 1.00 1.20 H new ATOM 0 HD2 LYS A 25 7.631 13.634 -2.729 1.00 1.51 H new ATOM 0 HD3 LYS A 25 7.472 13.622 -0.983 1.00 1.51 H new ATOM 0 HE2 LYS A 25 9.764 13.714 -0.681 1.00 2.06 H new ATOM 0 HE3 LYS A 25 10.049 12.435 -1.844 1.00 2.06 H new ATOM 0 HZ1 LYS A 25 10.866 14.579 -2.681 1.00 2.47 H new ATOM 0 HZ2 LYS A 25 9.593 14.018 -3.654 1.00 2.47 H new ATOM 0 HZ3 LYS A 25 9.317 15.257 -2.527 1.00 2.47 H new ATOM 387 N TYR A 26 6.417 8.428 -0.295 1.00 0.52 N ATOM 388 CA TYR A 26 6.248 7.003 -0.697 1.00 0.48 C ATOM 389 C TYR A 26 5.171 6.344 0.165 1.00 0.46 C ATOM 390 O TYR A 26 5.361 6.122 1.344 1.00 0.53 O ATOM 391 CB TYR A 26 7.607 6.356 -0.435 1.00 0.56 C ATOM 392 CG TYR A 26 8.667 7.037 -1.270 1.00 0.65 C ATOM 393 CD1 TYR A 26 8.413 7.348 -2.613 1.00 0.75 C ATOM 394 CD2 TYR A 26 9.904 7.357 -0.699 1.00 1.08 C ATOM 395 CE1 TYR A 26 9.398 7.978 -3.382 1.00 0.87 C ATOM 396 CE2 TYR A 26 10.888 7.988 -1.469 1.00 1.31 C ATOM 397 CZ TYR A 26 10.635 8.298 -2.811 1.00 1.08 C ATOM 398 OH TYR A 26 11.605 8.919 -3.570 1.00 1.33 O ATOM 0 H TYR A 26 7.146 8.599 0.397 1.00 0.52 H new ATOM 0 HA TYR A 26 5.939 6.898 -1.737 1.00 0.48 H new ATOM 0 HB2 TYR A 26 7.859 6.433 0.623 1.00 0.56 H new ATOM 0 HB3 TYR A 26 7.567 5.294 -0.677 1.00 0.56 H new ATOM 0 HD1 TYR A 26 7.458 7.102 -3.054 1.00 0.75 H new ATOM 0 HD2 TYR A 26 10.099 7.117 0.336 1.00 1.08 H new ATOM 0 HE1 TYR A 26 9.203 8.217 -4.417 1.00 0.87 H new ATOM 0 HE2 TYR A 26 11.842 8.236 -1.028 1.00 1.31 H new ATOM 0 HH TYR A 26 12.402 9.071 -3.021 1.00 1.33 H new ATOM 408 N LEU A 27 4.042 6.033 -0.407 1.00 0.46 N ATOM 409 CA LEU A 27 2.964 5.395 0.399 1.00 0.45 C ATOM 410 C LEU A 27 2.240 4.322 -0.416 1.00 0.40 C ATOM 411 O LEU A 27 1.620 4.603 -1.423 1.00 0.50 O ATOM 412 CB LEU A 27 2.010 6.533 0.750 1.00 0.51 C ATOM 413 CG LEU A 27 1.292 6.201 2.058 1.00 0.77 C ATOM 414 CD1 LEU A 27 2.255 6.399 3.230 1.00 0.66 C ATOM 415 CD2 LEU A 27 0.084 7.123 2.223 1.00 1.93 C ATOM 0 H LEU A 27 3.820 6.191 -1.390 1.00 0.46 H new ATOM 0 HA LEU A 27 3.358 4.898 1.286 1.00 0.45 H new ATOM 0 HB2 LEU A 27 2.561 7.468 0.851 1.00 0.51 H new ATOM 0 HB3 LEU A 27 1.285 6.676 -0.051 1.00 0.51 H new ATOM 0 HG LEU A 27 0.955 5.165 2.038 1.00 0.77 H new ATOM 0 HD11 LEU A 27 1.745 6.163 4.164 1.00 0.66 H new ATOM 0 HD12 LEU A 27 3.115 5.740 3.110 1.00 0.66 H new ATOM 0 HD13 LEU A 27 2.592 7.435 3.253 1.00 0.66 H new ATOM 0 HD21 LEU A 27 -0.429 6.887 3.155 1.00 1.93 H new ATOM 0 HD22 LEU A 27 0.418 8.160 2.245 1.00 1.93 H new ATOM 0 HD23 LEU A 27 -0.600 6.980 1.386 1.00 1.93 H new ATOM 427 N LEU A 28 2.310 3.095 0.018 1.00 0.33 N ATOM 428 CA LEU A 28 1.619 2.002 -0.722 1.00 0.32 C ATOM 429 C LEU A 28 0.236 1.761 -0.116 1.00 0.29 C ATOM 430 O LEU A 28 0.018 1.960 1.062 1.00 0.35 O ATOM 431 CB LEU A 28 2.515 0.771 -0.539 1.00 0.40 C ATOM 432 CG LEU A 28 2.647 0.006 -1.861 1.00 0.53 C ATOM 433 CD1 LEU A 28 1.282 -0.549 -2.272 1.00 1.12 C ATOM 434 CD2 LEU A 28 3.167 0.946 -2.950 1.00 0.73 C ATOM 0 H LEU A 28 2.816 2.801 0.854 1.00 0.33 H new ATOM 0 HA LEU A 28 1.470 2.238 -1.776 1.00 0.32 H new ATOM 0 HB2 LEU A 28 3.500 1.079 -0.190 1.00 0.40 H new ATOM 0 HB3 LEU A 28 2.095 0.118 0.226 1.00 0.40 H new ATOM 0 HG LEU A 28 3.348 -0.818 -1.731 1.00 0.53 H new ATOM 0 HD11 LEU A 28 1.378 -1.092 -3.212 1.00 1.12 H new ATOM 0 HD12 LEU A 28 0.916 -1.224 -1.498 1.00 1.12 H new ATOM 0 HD13 LEU A 28 0.578 0.273 -2.399 1.00 1.12 H new ATOM 0 HD21 LEU A 28 3.260 0.399 -3.889 1.00 0.73 H new ATOM 0 HD22 LEU A 28 2.470 1.774 -3.080 1.00 0.73 H new ATOM 0 HD23 LEU A 28 4.143 1.336 -2.659 1.00 0.73 H new ATOM 446 N VAL A 29 -0.702 1.339 -0.915 1.00 0.32 N ATOM 447 CA VAL A 29 -2.074 1.090 -0.389 1.00 0.32 C ATOM 448 C VAL A 29 -2.773 0.036 -1.252 1.00 0.34 C ATOM 449 O VAL A 29 -2.734 0.089 -2.465 1.00 0.47 O ATOM 450 CB VAL A 29 -2.786 2.441 -0.490 1.00 0.40 C ATOM 451 CG1 VAL A 29 -2.716 2.946 -1.932 1.00 0.77 C ATOM 452 CG2 VAL A 29 -4.251 2.289 -0.071 1.00 0.37 C ATOM 0 H VAL A 29 -0.579 1.155 -1.911 1.00 0.32 H new ATOM 0 HA VAL A 29 -2.073 0.714 0.634 1.00 0.32 H new ATOM 0 HB VAL A 29 -2.297 3.156 0.172 1.00 0.40 H new ATOM 0 HG11 VAL A 29 -3.223 3.908 -2.006 1.00 0.77 H new ATOM 0 HG12 VAL A 29 -1.673 3.062 -2.227 1.00 0.77 H new ATOM 0 HG13 VAL A 29 -3.202 2.228 -2.593 1.00 0.77 H new ATOM 0 HG21 VAL A 29 -4.753 3.254 -0.145 1.00 0.37 H new ATOM 0 HG22 VAL A 29 -4.745 1.572 -0.727 1.00 0.37 H new ATOM 0 HG23 VAL A 29 -4.300 1.933 0.958 1.00 0.37 H new ATOM 462 N GLU A 30 -3.406 -0.922 -0.637 1.00 0.32 N ATOM 463 CA GLU A 30 -4.098 -1.980 -1.425 1.00 0.39 C ATOM 464 C GLU A 30 -5.558 -2.106 -0.979 1.00 0.36 C ATOM 465 O GLU A 30 -5.881 -1.954 0.182 1.00 0.42 O ATOM 466 CB GLU A 30 -3.318 -3.264 -1.123 1.00 0.52 C ATOM 467 CG GLU A 30 -4.050 -4.473 -1.711 1.00 0.64 C ATOM 468 CD GLU A 30 -3.309 -5.754 -1.324 1.00 0.89 C ATOM 469 OE1 GLU A 30 -2.988 -5.898 -0.155 1.00 1.60 O ATOM 470 OE2 GLU A 30 -3.075 -6.569 -2.201 1.00 1.48 O ATOM 0 H GLU A 30 -3.475 -1.019 0.376 1.00 0.32 H new ATOM 0 HA GLU A 30 -4.119 -1.760 -2.492 1.00 0.39 H new ATOM 0 HB2 GLU A 30 -2.314 -3.197 -1.543 1.00 0.52 H new ATOM 0 HB3 GLU A 30 -3.205 -3.386 -0.046 1.00 0.52 H new ATOM 0 HG2 GLU A 30 -5.075 -4.507 -1.341 1.00 0.64 H new ATOM 0 HG3 GLU A 30 -4.106 -4.386 -2.796 1.00 0.64 H new ATOM 477 N PHE A 31 -6.443 -2.383 -1.899 1.00 0.35 N ATOM 478 CA PHE A 31 -7.880 -2.518 -1.541 1.00 0.36 C ATOM 479 C PHE A 31 -8.286 -3.995 -1.528 1.00 0.39 C ATOM 480 O PHE A 31 -8.262 -4.663 -2.542 1.00 0.49 O ATOM 481 CB PHE A 31 -8.618 -1.774 -2.651 1.00 0.41 C ATOM 482 CG PHE A 31 -8.245 -0.310 -2.613 1.00 0.38 C ATOM 483 CD1 PHE A 31 -7.005 0.110 -3.107 1.00 0.45 C ATOM 484 CD2 PHE A 31 -9.143 0.627 -2.086 1.00 0.53 C ATOM 485 CE1 PHE A 31 -6.660 1.467 -3.072 1.00 0.52 C ATOM 486 CE2 PHE A 31 -8.799 1.984 -2.053 1.00 0.59 C ATOM 487 CZ PHE A 31 -7.557 2.404 -2.545 1.00 0.53 C ATOM 0 H PHE A 31 -6.229 -2.522 -2.887 1.00 0.35 H new ATOM 0 HA PHE A 31 -8.105 -2.120 -0.552 1.00 0.36 H new ATOM 0 HB2 PHE A 31 -8.362 -2.200 -3.621 1.00 0.41 H new ATOM 0 HB3 PHE A 31 -9.695 -1.889 -2.526 1.00 0.41 H new ATOM 0 HD1 PHE A 31 -6.314 -0.612 -3.515 1.00 0.45 H new ATOM 0 HD2 PHE A 31 -10.100 0.303 -1.705 1.00 0.53 H new ATOM 0 HE1 PHE A 31 -5.702 1.791 -3.452 1.00 0.52 H new ATOM 0 HE2 PHE A 31 -9.492 2.707 -1.648 1.00 0.59 H new ATOM 0 HZ PHE A 31 -7.291 3.450 -2.518 1.00 0.53 H new ATOM 497 N TYR A 32 -8.664 -4.510 -0.389 1.00 0.37 N ATOM 498 CA TYR A 32 -9.074 -5.943 -0.323 1.00 0.44 C ATOM 499 C TYR A 32 -10.306 -6.099 0.578 1.00 0.40 C ATOM 500 O TYR A 32 -10.809 -5.138 1.127 1.00 0.45 O ATOM 501 CB TYR A 32 -7.863 -6.682 0.260 1.00 0.54 C ATOM 502 CG TYR A 32 -7.649 -6.279 1.702 1.00 0.54 C ATOM 503 CD1 TYR A 32 -7.150 -5.008 2.011 1.00 0.58 C ATOM 504 CD2 TYR A 32 -7.955 -7.179 2.729 1.00 0.66 C ATOM 505 CE1 TYR A 32 -6.956 -4.638 3.348 1.00 0.67 C ATOM 506 CE2 TYR A 32 -7.762 -6.810 4.065 1.00 0.79 C ATOM 507 CZ TYR A 32 -7.262 -5.539 4.375 1.00 0.77 C ATOM 508 OH TYR A 32 -7.072 -5.174 5.692 1.00 0.94 O ATOM 0 H TYR A 32 -8.707 -4.003 0.495 1.00 0.37 H new ATOM 0 HA TYR A 32 -9.350 -6.342 -1.299 1.00 0.44 H new ATOM 0 HB2 TYR A 32 -8.019 -7.759 0.195 1.00 0.54 H new ATOM 0 HB3 TYR A 32 -6.972 -6.453 -0.325 1.00 0.54 H new ATOM 0 HD1 TYR A 32 -6.915 -4.313 1.219 1.00 0.58 H new ATOM 0 HD2 TYR A 32 -8.340 -8.159 2.490 1.00 0.66 H new ATOM 0 HE1 TYR A 32 -6.570 -3.658 3.587 1.00 0.67 H new ATOM 0 HE2 TYR A 32 -7.999 -7.505 4.857 1.00 0.79 H new ATOM 0 HH TYR A 32 -7.847 -4.662 6.005 1.00 0.94 H new ATOM 518 N ALA A 33 -10.798 -7.297 0.730 1.00 0.40 N ATOM 519 CA ALA A 33 -11.997 -7.504 1.592 1.00 0.44 C ATOM 520 C ALA A 33 -11.767 -8.677 2.552 1.00 0.53 C ATOM 521 O ALA A 33 -10.882 -9.482 2.337 1.00 0.56 O ATOM 522 CB ALA A 33 -13.129 -7.823 0.616 1.00 0.49 C ATOM 0 H ALA A 33 -10.423 -8.141 0.296 1.00 0.40 H new ATOM 0 HA ALA A 33 -12.220 -6.633 2.208 1.00 0.44 H new ATOM 0 HB1 ALA A 33 -14.052 -7.990 1.171 1.00 0.49 H new ATOM 0 HB2 ALA A 33 -13.264 -6.987 -0.070 1.00 0.49 H new ATOM 0 HB3 ALA A 33 -12.879 -8.720 0.050 1.00 0.49 H new ATOM 528 N PRO A 34 -12.574 -8.741 3.582 1.00 0.63 N ATOM 529 CA PRO A 34 -12.447 -9.837 4.574 1.00 0.78 C ATOM 530 C PRO A 34 -12.863 -11.169 3.947 1.00 0.82 C ATOM 531 O PRO A 34 -12.492 -12.228 4.413 1.00 0.96 O ATOM 532 CB PRO A 34 -13.410 -9.432 5.687 1.00 0.90 C ATOM 533 CG PRO A 34 -14.407 -8.540 5.019 1.00 0.81 C ATOM 534 CD PRO A 34 -13.673 -7.822 3.920 1.00 0.66 C ATOM 0 HA PRO A 34 -11.428 -9.975 4.934 1.00 0.78 H new ATOM 0 HB2 PRO A 34 -13.892 -10.303 6.130 1.00 0.90 H new ATOM 0 HB3 PRO A 34 -12.890 -8.912 6.491 1.00 0.90 H new ATOM 0 HG2 PRO A 34 -15.237 -9.120 4.616 1.00 0.81 H new ATOM 0 HG3 PRO A 34 -14.830 -7.831 5.730 1.00 0.81 H new ATOM 0 HD2 PRO A 34 -14.318 -7.636 3.062 1.00 0.66 H new ATOM 0 HD3 PRO A 34 -13.299 -6.854 4.253 1.00 0.66 H new ATOM 542 N TRP A 35 -13.627 -11.125 2.891 1.00 0.74 N ATOM 543 CA TRP A 35 -14.059 -12.390 2.233 1.00 0.83 C ATOM 544 C TRP A 35 -13.072 -12.782 1.128 1.00 0.78 C ATOM 545 O TRP A 35 -13.079 -13.899 0.651 1.00 0.92 O ATOM 546 CB TRP A 35 -15.440 -12.088 1.647 1.00 0.91 C ATOM 547 CG TRP A 35 -15.340 -10.974 0.656 1.00 0.87 C ATOM 548 CD1 TRP A 35 -15.741 -9.701 0.877 1.00 0.84 C ATOM 549 CD2 TRP A 35 -14.819 -11.008 -0.705 1.00 1.25 C ATOM 550 NE1 TRP A 35 -15.503 -8.953 -0.260 1.00 0.85 N ATOM 551 CE2 TRP A 35 -14.933 -9.712 -1.262 1.00 1.19 C ATOM 552 CE3 TRP A 35 -14.263 -12.025 -1.501 1.00 1.84 C ATOM 553 CZ2 TRP A 35 -14.512 -9.436 -2.563 1.00 1.66 C ATOM 554 CZ3 TRP A 35 -13.839 -11.751 -2.811 1.00 2.36 C ATOM 555 CH2 TRP A 35 -13.962 -10.459 -3.341 1.00 2.26 C ATOM 0 H TRP A 35 -13.971 -10.269 2.456 1.00 0.74 H new ATOM 0 HA TRP A 35 -14.092 -13.225 2.933 1.00 0.83 H new ATOM 0 HB2 TRP A 35 -15.843 -12.979 1.166 1.00 0.91 H new ATOM 0 HB3 TRP A 35 -16.131 -11.816 2.445 1.00 0.91 H new ATOM 0 HD1 TRP A 35 -16.176 -9.330 1.793 1.00 0.84 H new ATOM 0 HE1 TRP A 35 -15.722 -7.961 -0.348 1.00 0.85 H new ATOM 0 HE3 TRP A 35 -14.161 -13.023 -1.102 1.00 1.84 H new ATOM 0 HZ2 TRP A 35 -14.610 -8.439 -2.966 1.00 1.66 H new ATOM 0 HZ3 TRP A 35 -13.415 -12.540 -3.414 1.00 2.36 H new ATOM 0 HH2 TRP A 35 -13.632 -10.254 -4.349 1.00 2.26 H new ATOM 566 N CYS A 36 -12.219 -11.878 0.719 1.00 0.65 N ATOM 567 CA CYS A 36 -11.237 -12.217 -0.349 1.00 0.67 C ATOM 568 C CYS A 36 -10.373 -13.402 0.092 1.00 0.84 C ATOM 569 O CYS A 36 -10.193 -13.646 1.270 1.00 1.63 O ATOM 570 CB CYS A 36 -10.383 -10.960 -0.515 1.00 0.58 C ATOM 571 SG CYS A 36 -9.097 -11.260 -1.751 1.00 1.07 S ATOM 0 H CYS A 36 -12.162 -10.925 1.078 1.00 0.65 H new ATOM 0 HA CYS A 36 -11.720 -12.505 -1.283 1.00 0.67 H new ATOM 0 HB2 CYS A 36 -11.008 -10.121 -0.822 1.00 0.58 H new ATOM 0 HB3 CYS A 36 -9.929 -10.688 0.438 1.00 0.58 H new ATOM 576 N GLY A 37 -9.836 -14.139 -0.840 1.00 0.96 N ATOM 577 CA GLY A 37 -8.986 -15.306 -0.469 1.00 1.08 C ATOM 578 C GLY A 37 -7.545 -15.050 -0.915 1.00 1.00 C ATOM 579 O GLY A 37 -6.603 -15.493 -0.287 1.00 1.83 O ATOM 0 H GLY A 37 -9.948 -13.984 -1.842 1.00 0.96 H new ATOM 0 HA2 GLY A 37 -9.021 -15.467 0.608 1.00 1.08 H new ATOM 0 HA3 GLY A 37 -9.368 -16.212 -0.940 1.00 1.08 H new ATOM 583 N HIS A 38 -7.367 -14.339 -1.995 1.00 0.89 N ATOM 584 CA HIS A 38 -5.985 -14.054 -2.481 1.00 0.97 C ATOM 585 C HIS A 38 -5.460 -12.746 -1.881 1.00 0.88 C ATOM 586 O HIS A 38 -4.446 -12.225 -2.302 1.00 1.13 O ATOM 587 CB HIS A 38 -6.122 -13.929 -3.997 1.00 1.32 C ATOM 588 CG HIS A 38 -5.369 -15.047 -4.664 1.00 1.72 C ATOM 589 ND1 HIS A 38 -5.853 -16.345 -4.702 1.00 2.39 N ATOM 590 CD2 HIS A 38 -4.166 -15.078 -5.324 1.00 2.35 C ATOM 591 CE1 HIS A 38 -4.953 -17.095 -5.362 1.00 2.85 C ATOM 592 NE2 HIS A 38 -3.905 -16.372 -5.764 1.00 2.87 N ATOM 0 H HIS A 38 -8.117 -13.943 -2.562 1.00 0.89 H new ATOM 0 HA HIS A 38 -5.280 -14.834 -2.193 1.00 0.97 H new ATOM 0 HB2 HIS A 38 -7.174 -13.964 -4.282 1.00 1.32 H new ATOM 0 HB3 HIS A 38 -5.734 -12.966 -4.329 1.00 1.32 H new ATOM 0 HD2 HIS A 38 -3.520 -14.227 -5.478 1.00 2.35 H new ATOM 0 HE1 HIS A 38 -5.064 -18.154 -5.545 1.00 2.85 H new ATOM 0 HE2 HIS A 38 -3.089 -16.698 -6.282 1.00 2.87 H new ATOM 600 N CYS A 39 -6.133 -12.210 -0.899 1.00 0.79 N ATOM 601 CA CYS A 39 -5.660 -10.941 -0.278 1.00 0.88 C ATOM 602 C CYS A 39 -4.859 -11.232 0.997 1.00 0.82 C ATOM 603 O CYS A 39 -4.475 -10.330 1.715 1.00 1.00 O ATOM 604 CB CYS A 39 -6.936 -10.165 0.052 1.00 1.08 C ATOM 605 SG CYS A 39 -7.797 -9.742 -1.482 1.00 1.00 S ATOM 0 H CYS A 39 -6.989 -12.596 -0.501 1.00 0.79 H new ATOM 0 HA CYS A 39 -4.999 -10.380 -0.939 1.00 0.88 H new ATOM 0 HB2 CYS A 39 -7.584 -10.764 0.692 1.00 1.08 H new ATOM 0 HB3 CYS A 39 -6.691 -9.259 0.606 1.00 1.08 H new ATOM 610 N LYS A 40 -4.597 -12.482 1.284 1.00 0.78 N ATOM 611 CA LYS A 40 -3.816 -12.817 2.509 1.00 0.94 C ATOM 612 C LYS A 40 -2.622 -13.720 2.161 1.00 0.84 C ATOM 613 O LYS A 40 -1.852 -14.099 3.021 1.00 0.94 O ATOM 614 CB LYS A 40 -4.804 -13.548 3.428 1.00 1.21 C ATOM 615 CG LYS A 40 -5.207 -14.889 2.806 1.00 1.56 C ATOM 616 CD LYS A 40 -4.202 -15.966 3.221 1.00 2.11 C ATOM 617 CE LYS A 40 -4.954 -17.230 3.645 1.00 2.72 C ATOM 618 NZ LYS A 40 -4.066 -17.889 4.644 1.00 3.29 N ATOM 0 H LYS A 40 -4.890 -13.282 0.723 1.00 0.78 H new ATOM 0 HA LYS A 40 -3.402 -11.928 2.985 1.00 0.94 H new ATOM 0 HB2 LYS A 40 -4.350 -13.713 4.405 1.00 1.21 H new ATOM 0 HB3 LYS A 40 -5.689 -12.932 3.588 1.00 1.21 H new ATOM 0 HG2 LYS A 40 -6.209 -15.167 3.132 1.00 1.56 H new ATOM 0 HG3 LYS A 40 -5.237 -14.804 1.720 1.00 1.56 H new ATOM 0 HD2 LYS A 40 -3.530 -16.190 2.392 1.00 2.11 H new ATOM 0 HD3 LYS A 40 -3.584 -15.605 4.043 1.00 2.11 H new ATOM 0 HE2 LYS A 40 -5.924 -16.986 4.079 1.00 2.72 H new ATOM 0 HE3 LYS A 40 -5.142 -17.883 2.792 1.00 2.72 H new ATOM 0 HZ1 LYS A 40 -4.514 -18.765 4.982 1.00 3.29 H new ATOM 0 HZ2 LYS A 40 -3.153 -18.116 4.201 1.00 3.29 H new ATOM 0 HZ3 LYS A 40 -3.911 -17.247 5.447 1.00 3.29 H new ATOM 632 N ALA A 41 -2.457 -14.068 0.909 1.00 0.77 N ATOM 633 CA ALA A 41 -1.312 -14.942 0.523 1.00 0.86 C ATOM 634 C ALA A 41 0.017 -14.289 0.915 1.00 0.75 C ATOM 635 O ALA A 41 1.036 -14.942 1.001 1.00 0.90 O ATOM 636 CB ALA A 41 -1.410 -15.077 -0.996 1.00 0.93 C ATOM 0 H ALA A 41 -3.065 -13.784 0.141 1.00 0.77 H new ATOM 0 HA ALA A 41 -1.349 -15.909 1.025 1.00 0.86 H new ATOM 0 HB1 ALA A 41 -0.599 -15.708 -1.358 1.00 0.93 H new ATOM 0 HB2 ALA A 41 -2.366 -15.528 -1.260 1.00 0.93 H new ATOM 0 HB3 ALA A 41 -1.335 -14.091 -1.455 1.00 0.93 H new ATOM 642 N LEU A 42 0.015 -13.004 1.155 1.00 0.65 N ATOM 643 CA LEU A 42 1.283 -12.321 1.542 1.00 0.67 C ATOM 644 C LEU A 42 1.048 -11.402 2.742 1.00 0.63 C ATOM 645 O LEU A 42 1.743 -10.424 2.932 1.00 0.70 O ATOM 646 CB LEU A 42 1.704 -11.516 0.307 1.00 0.82 C ATOM 647 CG LEU A 42 0.662 -10.433 0.000 1.00 0.86 C ATOM 648 CD1 LEU A 42 1.323 -9.305 -0.795 1.00 1.24 C ATOM 649 CD2 LEU A 42 -0.475 -11.038 -0.828 1.00 1.37 C ATOM 0 H LEU A 42 -0.806 -12.401 1.100 1.00 0.65 H new ATOM 0 HA LEU A 42 2.056 -13.029 1.839 1.00 0.67 H new ATOM 0 HB2 LEU A 42 2.677 -11.056 0.478 1.00 0.82 H new ATOM 0 HB3 LEU A 42 1.812 -12.181 -0.550 1.00 0.82 H new ATOM 0 HG LEU A 42 0.262 -10.038 0.934 1.00 0.86 H new ATOM 0 HD11 LEU A 42 0.585 -8.534 -1.015 1.00 1.24 H new ATOM 0 HD12 LEU A 42 2.135 -8.874 -0.209 1.00 1.24 H new ATOM 0 HD13 LEU A 42 1.721 -9.703 -1.729 1.00 1.24 H new ATOM 0 HD21 LEU A 42 -1.216 -10.269 -1.046 1.00 1.37 H new ATOM 0 HD22 LEU A 42 -0.075 -11.432 -1.762 1.00 1.37 H new ATOM 0 HD23 LEU A 42 -0.945 -11.845 -0.266 1.00 1.37 H new ATOM 661 N ALA A 43 0.078 -11.712 3.559 1.00 0.71 N ATOM 662 CA ALA A 43 -0.198 -10.860 4.755 1.00 0.73 C ATOM 663 C ALA A 43 1.097 -10.595 5.541 1.00 0.67 C ATOM 664 O ALA A 43 1.389 -9.465 5.877 1.00 0.65 O ATOM 665 CB ALA A 43 -1.183 -11.670 5.599 1.00 0.88 C ATOM 0 H ALA A 43 -0.537 -12.519 3.451 1.00 0.71 H new ATOM 0 HA ALA A 43 -0.600 -9.885 4.479 1.00 0.73 H new ATOM 0 HB1 ALA A 43 -1.437 -11.110 6.499 1.00 0.88 H new ATOM 0 HB2 ALA A 43 -2.088 -11.858 5.022 1.00 0.88 H new ATOM 0 HB3 ALA A 43 -0.727 -12.620 5.878 1.00 0.88 H new ATOM 671 N PRO A 44 1.838 -11.646 5.807 1.00 0.69 N ATOM 672 CA PRO A 44 3.107 -11.505 6.551 1.00 0.70 C ATOM 673 C PRO A 44 4.238 -11.104 5.600 1.00 0.59 C ATOM 674 O PRO A 44 5.316 -10.733 6.022 1.00 0.65 O ATOM 675 CB PRO A 44 3.349 -12.901 7.110 1.00 0.83 C ATOM 676 CG PRO A 44 2.621 -13.835 6.191 1.00 0.84 C ATOM 677 CD PRO A 44 1.579 -13.042 5.438 1.00 0.76 C ATOM 0 HA PRO A 44 3.067 -10.739 7.325 1.00 0.70 H new ATOM 0 HB2 PRO A 44 4.414 -13.132 7.140 1.00 0.83 H new ATOM 0 HB3 PRO A 44 2.975 -12.985 8.131 1.00 0.83 H new ATOM 0 HG2 PRO A 44 3.318 -14.303 5.496 1.00 0.84 H new ATOM 0 HG3 PRO A 44 2.150 -14.637 6.759 1.00 0.84 H new ATOM 0 HD2 PRO A 44 1.669 -13.191 4.362 1.00 0.76 H new ATOM 0 HD3 PRO A 44 0.570 -13.346 5.719 1.00 0.76 H new ATOM 685 N GLU A 45 4.001 -11.170 4.316 1.00 0.53 N ATOM 686 CA GLU A 45 5.058 -10.786 3.341 1.00 0.46 C ATOM 687 C GLU A 45 4.938 -9.295 3.045 1.00 0.41 C ATOM 688 O GLU A 45 5.916 -8.590 2.901 1.00 0.47 O ATOM 689 CB GLU A 45 4.763 -11.615 2.092 1.00 0.48 C ATOM 690 CG GLU A 45 5.442 -12.981 2.215 1.00 0.61 C ATOM 691 CD GLU A 45 4.435 -14.083 1.878 1.00 1.12 C ATOM 692 OE1 GLU A 45 3.704 -14.482 2.770 1.00 1.90 O ATOM 693 OE2 GLU A 45 4.412 -14.507 0.735 1.00 1.83 O ATOM 0 H GLU A 45 3.120 -11.474 3.902 1.00 0.53 H new ATOM 0 HA GLU A 45 6.068 -10.968 3.708 1.00 0.46 H new ATOM 0 HB2 GLU A 45 3.687 -11.741 1.972 1.00 0.48 H new ATOM 0 HB3 GLU A 45 5.124 -11.096 1.204 1.00 0.48 H new ATOM 0 HG2 GLU A 45 6.297 -13.036 1.541 1.00 0.61 H new ATOM 0 HG3 GLU A 45 5.824 -13.119 3.226 1.00 0.61 H new ATOM 700 N TYR A 46 3.730 -8.814 2.970 1.00 0.43 N ATOM 701 CA TYR A 46 3.507 -7.370 2.705 1.00 0.48 C ATOM 702 C TYR A 46 3.868 -6.562 3.966 1.00 0.52 C ATOM 703 O TYR A 46 4.122 -5.375 3.902 1.00 0.69 O ATOM 704 CB TYR A 46 2.004 -7.301 2.346 1.00 0.64 C ATOM 705 CG TYR A 46 1.351 -6.033 2.862 1.00 0.72 C ATOM 706 CD1 TYR A 46 1.414 -4.846 2.121 1.00 1.02 C ATOM 707 CD2 TYR A 46 0.679 -6.058 4.088 1.00 1.03 C ATOM 708 CE1 TYR A 46 0.804 -3.684 2.609 1.00 1.38 C ATOM 709 CE2 TYR A 46 0.069 -4.897 4.577 1.00 1.39 C ATOM 710 CZ TYR A 46 0.131 -3.710 3.837 1.00 1.50 C ATOM 711 OH TYR A 46 -0.470 -2.566 4.318 1.00 1.95 O ATOM 0 H TYR A 46 2.880 -9.367 3.082 1.00 0.43 H new ATOM 0 HA TYR A 46 4.119 -6.949 1.907 1.00 0.48 H new ATOM 0 HB2 TYR A 46 1.888 -7.353 1.263 1.00 0.64 H new ATOM 0 HB3 TYR A 46 1.492 -8.168 2.764 1.00 0.64 H new ATOM 0 HD1 TYR A 46 1.933 -4.827 1.174 1.00 1.02 H new ATOM 0 HD2 TYR A 46 0.631 -6.974 4.658 1.00 1.03 H new ATOM 0 HE1 TYR A 46 0.852 -2.768 2.039 1.00 1.38 H new ATOM 0 HE2 TYR A 46 -0.449 -4.917 5.524 1.00 1.39 H new ATOM 0 HH TYR A 46 -1.133 -2.806 4.999 1.00 1.95 H new ATOM 721 N ALA A 47 3.889 -7.197 5.109 1.00 0.53 N ATOM 722 CA ALA A 47 4.229 -6.465 6.362 1.00 0.62 C ATOM 723 C ALA A 47 5.736 -6.528 6.626 1.00 0.58 C ATOM 724 O ALA A 47 6.292 -5.685 7.301 1.00 0.68 O ATOM 725 CB ALA A 47 3.461 -7.193 7.466 1.00 0.73 C ATOM 0 H ALA A 47 3.685 -8.189 5.227 1.00 0.53 H new ATOM 0 HA ALA A 47 3.963 -5.409 6.306 1.00 0.62 H new ATOM 0 HB1 ALA A 47 3.659 -6.713 8.424 1.00 0.73 H new ATOM 0 HB2 ALA A 47 2.393 -7.152 7.254 1.00 0.73 H new ATOM 0 HB3 ALA A 47 3.783 -8.233 7.508 1.00 0.73 H new ATOM 731 N LYS A 48 6.403 -7.519 6.100 1.00 0.51 N ATOM 732 CA LYS A 48 7.873 -7.628 6.323 1.00 0.55 C ATOM 733 C LYS A 48 8.605 -6.550 5.523 1.00 0.53 C ATOM 734 O LYS A 48 9.609 -6.018 5.953 1.00 0.65 O ATOM 735 CB LYS A 48 8.250 -9.021 5.817 1.00 0.60 C ATOM 736 CG LYS A 48 8.911 -9.810 6.948 1.00 1.03 C ATOM 737 CD LYS A 48 7.834 -10.358 7.886 1.00 1.41 C ATOM 738 CE LYS A 48 8.401 -10.469 9.302 1.00 1.92 C ATOM 739 NZ LYS A 48 7.792 -9.336 10.052 1.00 2.47 N ATOM 0 H LYS A 48 5.994 -8.257 5.526 1.00 0.51 H new ATOM 0 HA LYS A 48 8.145 -7.490 7.369 1.00 0.55 H new ATOM 0 HB2 LYS A 48 7.362 -9.545 5.464 1.00 0.60 H new ATOM 0 HB3 LYS A 48 8.930 -8.940 4.969 1.00 0.60 H new ATOM 0 HG2 LYS A 48 9.501 -10.629 6.537 1.00 1.03 H new ATOM 0 HG3 LYS A 48 9.597 -9.168 7.501 1.00 1.03 H new ATOM 0 HD2 LYS A 48 6.964 -9.701 7.881 1.00 1.41 H new ATOM 0 HD3 LYS A 48 7.498 -11.335 7.540 1.00 1.41 H new ATOM 0 HE2 LYS A 48 8.144 -11.426 9.756 1.00 1.92 H new ATOM 0 HE3 LYS A 48 9.489 -10.400 9.298 1.00 1.92 H new ATOM 0 HZ1 LYS A 48 8.134 -9.346 11.034 1.00 2.47 H new ATOM 0 HZ2 LYS A 48 8.059 -8.438 9.601 1.00 2.47 H new ATOM 0 HZ3 LYS A 48 6.756 -9.432 10.045 1.00 2.47 H new ATOM 753 N ALA A 49 8.108 -6.223 4.363 1.00 0.47 N ATOM 754 CA ALA A 49 8.775 -5.177 3.538 1.00 0.50 C ATOM 755 C ALA A 49 8.702 -3.820 4.244 1.00 0.53 C ATOM 756 O ALA A 49 9.452 -2.915 3.945 1.00 0.65 O ATOM 757 CB ALA A 49 7.993 -5.147 2.224 1.00 0.55 C ATOM 0 H ALA A 49 7.270 -6.634 3.951 1.00 0.47 H new ATOM 0 HA ALA A 49 9.831 -5.391 3.375 1.00 0.50 H new ATOM 0 HB1 ALA A 49 8.425 -4.398 1.560 1.00 0.55 H new ATOM 0 HB2 ALA A 49 8.044 -6.126 1.748 1.00 0.55 H new ATOM 0 HB3 ALA A 49 6.952 -4.895 2.426 1.00 0.55 H new ATOM 763 N ALA A 50 7.807 -3.675 5.184 1.00 0.54 N ATOM 764 CA ALA A 50 7.697 -2.378 5.911 1.00 0.65 C ATOM 765 C ALA A 50 8.656 -2.362 7.106 1.00 0.65 C ATOM 766 O ALA A 50 8.978 -1.321 7.641 1.00 0.77 O ATOM 767 CB ALA A 50 6.245 -2.312 6.387 1.00 0.76 C ATOM 0 H ALA A 50 7.149 -4.396 5.479 1.00 0.54 H new ATOM 0 HA ALA A 50 7.957 -1.527 5.282 1.00 0.65 H new ATOM 0 HB1 ALA A 50 6.083 -1.383 6.933 1.00 0.76 H new ATOM 0 HB2 ALA A 50 5.578 -2.348 5.526 1.00 0.76 H new ATOM 0 HB3 ALA A 50 6.038 -3.158 7.042 1.00 0.76 H new ATOM 773 N GLY A 51 9.115 -3.511 7.530 1.00 0.59 N ATOM 774 CA GLY A 51 10.051 -3.560 8.687 1.00 0.69 C ATOM 775 C GLY A 51 11.493 -3.446 8.189 1.00 0.78 C ATOM 776 O GLY A 51 12.386 -3.083 8.928 1.00 0.90 O ATOM 0 H GLY A 51 8.881 -4.417 7.123 1.00 0.59 H new ATOM 0 HA2 GLY A 51 9.830 -2.748 9.380 1.00 0.69 H new ATOM 0 HA3 GLY A 51 9.918 -4.493 9.235 1.00 0.69 H new ATOM 780 N LYS A 52 11.733 -3.749 6.942 1.00 0.80 N ATOM 781 CA LYS A 52 13.124 -3.649 6.415 1.00 1.01 C ATOM 782 C LYS A 52 13.640 -2.218 6.586 1.00 1.12 C ATOM 783 O LYS A 52 14.829 -1.979 6.664 1.00 1.31 O ATOM 784 CB LYS A 52 13.018 -4.010 4.933 1.00 1.15 C ATOM 785 CG LYS A 52 12.106 -3.007 4.225 1.00 1.49 C ATOM 786 CD LYS A 52 12.947 -1.862 3.655 1.00 1.97 C ATOM 787 CE LYS A 52 13.250 -2.134 2.179 1.00 2.64 C ATOM 788 NZ LYS A 52 14.532 -1.424 1.915 1.00 3.08 N ATOM 0 H LYS A 52 11.032 -4.059 6.270 1.00 0.80 H new ATOM 0 HA LYS A 52 13.817 -4.307 6.940 1.00 1.01 H new ATOM 0 HB2 LYS A 52 14.007 -4.004 4.475 1.00 1.15 H new ATOM 0 HB3 LYS A 52 12.621 -5.019 4.822 1.00 1.15 H new ATOM 0 HG2 LYS A 52 11.557 -3.502 3.424 1.00 1.49 H new ATOM 0 HG3 LYS A 52 11.367 -2.616 4.924 1.00 1.49 H new ATOM 0 HD2 LYS A 52 12.413 -0.918 3.759 1.00 1.97 H new ATOM 0 HD3 LYS A 52 13.877 -1.766 4.216 1.00 1.97 H new ATOM 0 HE2 LYS A 52 13.343 -3.203 1.985 1.00 2.64 H new ATOM 0 HE3 LYS A 52 12.452 -1.761 1.537 1.00 2.64 H new ATOM 0 HZ1 LYS A 52 14.808 -1.563 0.922 1.00 3.08 H new ATOM 0 HZ2 LYS A 52 14.411 -0.408 2.102 1.00 3.08 H new ATOM 0 HZ3 LYS A 52 15.274 -1.805 2.536 1.00 3.08 H new ATOM 802 N LEU A 53 12.751 -1.266 6.641 1.00 1.12 N ATOM 803 CA LEU A 53 13.184 0.153 6.805 1.00 1.33 C ATOM 804 C LEU A 53 13.383 0.487 8.287 1.00 1.30 C ATOM 805 O LEU A 53 14.164 1.348 8.637 1.00 1.50 O ATOM 806 CB LEU A 53 12.048 0.987 6.207 1.00 1.55 C ATOM 807 CG LEU A 53 10.773 0.799 7.034 1.00 1.47 C ATOM 808 CD1 LEU A 53 10.646 1.942 8.041 1.00 2.07 C ATOM 809 CD2 LEU A 53 9.558 0.799 6.105 1.00 1.82 C ATOM 0 H LEU A 53 11.743 -1.407 6.580 1.00 1.12 H new ATOM 0 HA LEU A 53 14.136 0.351 6.313 1.00 1.33 H new ATOM 0 HB2 LEU A 53 12.329 2.040 6.189 1.00 1.55 H new ATOM 0 HB3 LEU A 53 11.870 0.687 5.174 1.00 1.55 H new ATOM 0 HG LEU A 53 10.822 -0.151 7.567 1.00 1.47 H new ATOM 0 HD11 LEU A 53 9.739 1.809 8.630 1.00 2.07 H new ATOM 0 HD12 LEU A 53 11.512 1.941 8.703 1.00 2.07 H new ATOM 0 HD13 LEU A 53 10.597 2.892 7.509 1.00 2.07 H new ATOM 0 HD21 LEU A 53 8.650 0.665 6.693 1.00 1.82 H new ATOM 0 HD22 LEU A 53 9.508 1.748 5.571 1.00 1.82 H new ATOM 0 HD23 LEU A 53 9.649 -0.016 5.387 1.00 1.82 H new ATOM 821 N LYS A 54 12.683 -0.184 9.163 1.00 1.20 N ATOM 822 CA LYS A 54 12.839 0.104 10.621 1.00 1.35 C ATOM 823 C LYS A 54 14.319 0.054 11.013 1.00 1.40 C ATOM 824 O LYS A 54 14.780 0.822 11.833 1.00 1.67 O ATOM 825 CB LYS A 54 12.058 -1.001 11.333 1.00 1.46 C ATOM 826 CG LYS A 54 10.652 -0.500 11.669 1.00 1.91 C ATOM 827 CD LYS A 54 10.414 -0.620 13.174 1.00 2.50 C ATOM 828 CE LYS A 54 8.958 -0.268 13.491 1.00 2.87 C ATOM 829 NZ LYS A 54 8.376 -1.517 14.055 1.00 3.88 N ATOM 0 H LYS A 54 12.012 -0.917 8.934 1.00 1.20 H new ATOM 0 HA LYS A 54 12.472 1.095 10.887 1.00 1.35 H new ATOM 0 HB2 LYS A 54 11.998 -1.885 10.698 1.00 1.46 H new ATOM 0 HB3 LYS A 54 12.577 -1.298 12.244 1.00 1.46 H new ATOM 0 HG2 LYS A 54 10.539 0.537 11.354 1.00 1.91 H new ATOM 0 HG3 LYS A 54 9.908 -1.081 11.125 1.00 1.91 H new ATOM 0 HD2 LYS A 54 10.635 -1.634 13.508 1.00 2.50 H new ATOM 0 HD3 LYS A 54 11.086 0.047 13.713 1.00 2.50 H new ATOM 0 HE2 LYS A 54 8.897 0.554 14.204 1.00 2.87 H new ATOM 0 HE3 LYS A 54 8.424 0.047 12.595 1.00 2.87 H new ATOM 0 HZ1 LYS A 54 7.378 -1.356 14.298 1.00 3.88 H new ATOM 0 HZ2 LYS A 54 8.443 -2.280 13.351 1.00 3.88 H new ATOM 0 HZ3 LYS A 54 8.901 -1.789 14.911 1.00 3.88 H new ATOM 843 N ALA A 55 15.063 -0.845 10.431 1.00 1.63 N ATOM 844 CA ALA A 55 16.513 -0.946 10.766 1.00 2.20 C ATOM 845 C ALA A 55 17.296 0.177 10.079 1.00 2.03 C ATOM 846 O ALA A 55 18.397 0.508 10.474 1.00 2.38 O ATOM 847 CB ALA A 55 16.948 -2.310 10.228 1.00 2.78 C ATOM 0 H ALA A 55 14.730 -1.515 9.737 1.00 1.63 H new ATOM 0 HA ALA A 55 16.697 -0.851 11.836 1.00 2.20 H new ATOM 0 HB1 ALA A 55 18.007 -2.462 10.435 1.00 2.78 H new ATOM 0 HB2 ALA A 55 16.367 -3.095 10.713 1.00 2.78 H new ATOM 0 HB3 ALA A 55 16.780 -2.347 9.152 1.00 2.78 H new ATOM 853 N GLU A 56 16.740 0.765 9.054 1.00 1.67 N ATOM 854 CA GLU A 56 17.457 1.864 8.344 1.00 1.70 C ATOM 855 C GLU A 56 16.871 3.220 8.739 1.00 1.53 C ATOM 856 O GLU A 56 17.555 4.078 9.260 1.00 1.98 O ATOM 857 CB GLU A 56 17.222 1.594 6.858 1.00 1.99 C ATOM 858 CG GLU A 56 17.944 0.308 6.451 1.00 2.69 C ATOM 859 CD GLU A 56 19.220 0.659 5.682 1.00 3.21 C ATOM 860 OE1 GLU A 56 19.128 1.440 4.748 1.00 3.64 O ATOM 861 OE2 GLU A 56 20.264 0.140 6.037 1.00 3.63 O ATOM 0 H GLU A 56 15.821 0.532 8.678 1.00 1.67 H new ATOM 0 HA GLU A 56 18.518 1.892 8.592 1.00 1.70 H new ATOM 0 HB2 GLU A 56 16.154 1.502 6.659 1.00 1.99 H new ATOM 0 HB3 GLU A 56 17.586 2.432 6.263 1.00 1.99 H new ATOM 0 HG2 GLU A 56 18.190 -0.279 7.336 1.00 2.69 H new ATOM 0 HG3 GLU A 56 17.291 -0.307 5.832 1.00 2.69 H new ATOM 868 N GLY A 57 15.608 3.414 8.495 1.00 1.58 N ATOM 869 CA GLY A 57 14.966 4.711 8.855 1.00 2.25 C ATOM 870 C GLY A 57 14.448 5.402 7.589 1.00 1.97 C ATOM 871 O GLY A 57 14.298 6.607 7.548 1.00 2.50 O ATOM 0 H GLY A 57 14.988 2.730 8.061 1.00 1.58 H new ATOM 0 HA2 GLY A 57 14.144 4.540 9.550 1.00 2.25 H new ATOM 0 HA3 GLY A 57 15.684 5.354 9.364 1.00 2.25 H new ATOM 875 N SER A 58 14.169 4.652 6.556 1.00 1.30 N ATOM 876 CA SER A 58 13.658 5.274 5.300 1.00 1.23 C ATOM 877 C SER A 58 12.252 5.837 5.529 1.00 1.03 C ATOM 878 O SER A 58 11.638 5.598 6.549 1.00 1.27 O ATOM 879 CB SER A 58 13.623 4.136 4.279 1.00 1.53 C ATOM 880 OG SER A 58 14.807 4.168 3.494 1.00 2.13 O ATOM 0 H SER A 58 14.273 3.638 6.528 1.00 1.30 H new ATOM 0 HA SER A 58 14.282 6.102 4.962 1.00 1.23 H new ATOM 0 HB2 SER A 58 13.538 3.177 4.790 1.00 1.53 H new ATOM 0 HB3 SER A 58 12.746 4.234 3.639 1.00 1.53 H new ATOM 0 HG SER A 58 14.786 3.438 2.841 1.00 2.13 H new ATOM 886 N GLU A 59 11.739 6.587 4.591 1.00 0.85 N ATOM 887 CA GLU A 59 10.374 7.165 4.765 1.00 0.87 C ATOM 888 C GLU A 59 9.351 6.402 3.918 1.00 0.76 C ATOM 889 O GLU A 59 8.253 6.868 3.688 1.00 1.06 O ATOM 890 CB GLU A 59 10.496 8.613 4.287 1.00 1.10 C ATOM 891 CG GLU A 59 10.989 8.634 2.838 1.00 1.05 C ATOM 892 CD GLU A 59 10.179 9.657 2.038 1.00 1.58 C ATOM 893 OE1 GLU A 59 9.007 9.818 2.334 1.00 2.13 O ATOM 894 OE2 GLU A 59 10.746 10.263 1.143 1.00 2.22 O ATOM 0 H GLU A 59 12.204 6.824 3.715 1.00 0.85 H new ATOM 0 HA GLU A 59 10.031 7.101 5.798 1.00 0.87 H new ATOM 0 HB2 GLU A 59 9.531 9.114 4.361 1.00 1.10 H new ATOM 0 HB3 GLU A 59 11.189 9.161 4.926 1.00 1.10 H new ATOM 0 HG2 GLU A 59 12.048 8.888 2.807 1.00 1.05 H new ATOM 0 HG3 GLU A 59 10.886 7.644 2.393 1.00 1.05 H new ATOM 901 N ILE A 60 9.695 5.230 3.451 1.00 0.59 N ATOM 902 CA ILE A 60 8.732 4.446 2.623 1.00 0.57 C ATOM 903 C ILE A 60 7.733 3.715 3.526 1.00 0.52 C ATOM 904 O ILE A 60 8.101 3.130 4.525 1.00 0.63 O ATOM 905 CB ILE A 60 9.590 3.447 1.837 1.00 0.68 C ATOM 906 CG1 ILE A 60 10.246 2.449 2.797 1.00 1.46 C ATOM 907 CG2 ILE A 60 10.679 4.201 1.069 1.00 1.34 C ATOM 908 CD1 ILE A 60 11.087 1.451 1.997 1.00 1.60 C ATOM 0 H ILE A 60 10.599 4.783 3.607 1.00 0.59 H new ATOM 0 HA ILE A 60 8.149 5.082 1.957 1.00 0.57 H new ATOM 0 HB ILE A 60 8.953 2.906 1.137 1.00 0.68 H new ATOM 0 HG12 ILE A 60 10.874 2.977 3.515 1.00 1.46 H new ATOM 0 HG13 ILE A 60 9.482 1.922 3.369 1.00 1.46 H new ATOM 0 HG21 ILE A 60 11.289 3.491 0.511 1.00 1.34 H new ATOM 0 HG22 ILE A 60 10.216 4.904 0.377 1.00 1.34 H new ATOM 0 HG23 ILE A 60 11.309 4.746 1.772 1.00 1.34 H new ATOM 0 HD11 ILE A 60 11.554 0.740 2.679 1.00 1.60 H new ATOM 0 HD12 ILE A 60 10.447 0.915 1.297 1.00 1.60 H new ATOM 0 HD13 ILE A 60 11.860 1.986 1.445 1.00 1.60 H new ATOM 920 N ARG A 61 6.471 3.747 3.189 1.00 0.45 N ATOM 921 CA ARG A 61 5.461 3.054 4.043 1.00 0.45 C ATOM 922 C ARG A 61 4.376 2.401 3.181 1.00 0.41 C ATOM 923 O ARG A 61 4.013 2.902 2.135 1.00 0.55 O ATOM 924 CB ARG A 61 4.855 4.157 4.911 1.00 0.51 C ATOM 925 CG ARG A 61 5.861 4.573 5.984 1.00 0.75 C ATOM 926 CD ARG A 61 5.269 5.707 6.823 1.00 0.97 C ATOM 927 NE ARG A 61 5.892 5.559 8.168 1.00 1.30 N ATOM 928 CZ ARG A 61 7.136 5.909 8.351 1.00 1.66 C ATOM 929 NH1 ARG A 61 8.099 5.103 7.999 1.00 2.19 N ATOM 930 NH2 ARG A 61 7.416 7.066 8.886 1.00 2.21 N ATOM 0 H ARG A 61 6.097 4.219 2.366 1.00 0.45 H new ATOM 0 HA ARG A 61 5.910 2.258 4.637 1.00 0.45 H new ATOM 0 HB2 ARG A 61 4.590 5.015 4.294 1.00 0.51 H new ATOM 0 HB3 ARG A 61 3.935 3.803 5.377 1.00 0.51 H new ATOM 0 HG2 ARG A 61 6.102 3.722 6.621 1.00 0.75 H new ATOM 0 HG3 ARG A 61 6.792 4.897 5.519 1.00 0.75 H new ATOM 0 HD2 ARG A 61 5.497 6.680 6.388 1.00 0.97 H new ATOM 0 HD3 ARG A 61 4.183 5.630 6.881 1.00 0.97 H new ATOM 0 HE ARG A 61 5.347 5.185 8.945 1.00 1.30 H new ATOM 0 HH11 ARG A 61 7.880 4.199 7.581 1.00 2.19 H new ATOM 0 HH12 ARG A 61 9.071 5.377 8.142 1.00 2.19 H new ATOM 0 HH21 ARG A 61 6.663 7.696 9.161 1.00 2.21 H new ATOM 0 HH22 ARG A 61 8.388 7.340 9.029 1.00 2.21 H new ATOM 944 N LEU A 62 3.853 1.288 3.620 1.00 0.35 N ATOM 945 CA LEU A 62 2.785 0.601 2.838 1.00 0.36 C ATOM 946 C LEU A 62 1.455 0.691 3.590 1.00 0.32 C ATOM 947 O LEU A 62 1.413 1.085 4.739 1.00 0.38 O ATOM 948 CB LEU A 62 3.242 -0.854 2.729 1.00 0.48 C ATOM 949 CG LEU A 62 4.644 -0.908 2.119 1.00 0.73 C ATOM 950 CD1 LEU A 62 5.626 -1.473 3.148 1.00 1.22 C ATOM 951 CD2 LEU A 62 4.625 -1.808 0.883 1.00 1.59 C ATOM 0 H LEU A 62 4.120 0.824 4.488 1.00 0.35 H new ATOM 0 HA LEU A 62 2.633 1.050 1.857 1.00 0.36 H new ATOM 0 HB2 LEU A 62 3.245 -1.319 3.715 1.00 0.48 H new ATOM 0 HB3 LEU A 62 2.544 -1.420 2.112 1.00 0.48 H new ATOM 0 HG LEU A 62 4.957 0.096 1.833 1.00 0.73 H new ATOM 0 HD11 LEU A 62 6.625 -1.512 2.714 1.00 1.22 H new ATOM 0 HD12 LEU A 62 5.638 -0.832 4.030 1.00 1.22 H new ATOM 0 HD13 LEU A 62 5.315 -2.478 3.434 1.00 1.22 H new ATOM 0 HD21 LEU A 62 5.623 -1.848 0.447 1.00 1.59 H new ATOM 0 HD22 LEU A 62 4.314 -2.813 1.169 1.00 1.59 H new ATOM 0 HD23 LEU A 62 3.925 -1.406 0.151 1.00 1.59 H new ATOM 963 N ALA A 63 0.368 0.335 2.959 1.00 0.30 N ATOM 964 CA ALA A 63 -0.944 0.414 3.668 1.00 0.32 C ATOM 965 C ALA A 63 -1.974 -0.520 3.023 1.00 0.31 C ATOM 966 O ALA A 63 -1.757 -1.067 1.960 1.00 0.37 O ATOM 967 CB ALA A 63 -1.385 1.871 3.523 1.00 0.37 C ATOM 0 H ALA A 63 0.330 -0.003 1.997 1.00 0.30 H new ATOM 0 HA ALA A 63 -0.858 0.108 4.711 1.00 0.32 H new ATOM 0 HB1 ALA A 63 -2.345 2.012 4.020 1.00 0.37 H new ATOM 0 HB2 ALA A 63 -0.641 2.524 3.980 1.00 0.37 H new ATOM 0 HB3 ALA A 63 -1.484 2.118 2.466 1.00 0.37 H new ATOM 973 N LYS A 64 -3.099 -0.698 3.664 1.00 0.30 N ATOM 974 CA LYS A 64 -4.156 -1.587 3.101 1.00 0.32 C ATOM 975 C LYS A 64 -5.539 -1.030 3.445 1.00 0.32 C ATOM 976 O LYS A 64 -5.701 -0.303 4.404 1.00 0.40 O ATOM 977 CB LYS A 64 -3.940 -2.941 3.778 1.00 0.38 C ATOM 978 CG LYS A 64 -3.670 -4.009 2.716 1.00 1.39 C ATOM 979 CD LYS A 64 -4.103 -5.377 3.246 1.00 1.60 C ATOM 980 CE LYS A 64 -2.920 -6.345 3.190 1.00 2.04 C ATOM 981 NZ LYS A 64 -3.340 -7.511 4.018 1.00 2.26 N ATOM 0 H LYS A 64 -3.332 -0.264 4.557 1.00 0.30 H new ATOM 0 HA LYS A 64 -4.100 -1.665 2.015 1.00 0.32 H new ATOM 0 HB2 LYS A 64 -3.101 -2.883 4.471 1.00 0.38 H new ATOM 0 HB3 LYS A 64 -4.819 -3.210 4.364 1.00 0.38 H new ATOM 0 HG2 LYS A 64 -4.214 -3.773 1.801 1.00 1.39 H new ATOM 0 HG3 LYS A 64 -2.610 -4.025 2.462 1.00 1.39 H new ATOM 0 HD2 LYS A 64 -4.462 -5.284 4.271 1.00 1.60 H new ATOM 0 HD3 LYS A 64 -4.931 -5.763 2.652 1.00 1.60 H new ATOM 0 HE2 LYS A 64 -2.704 -6.646 2.165 1.00 2.04 H new ATOM 0 HE3 LYS A 64 -2.014 -5.885 3.585 1.00 2.04 H new ATOM 0 HZ1 LYS A 64 -2.580 -8.221 4.029 1.00 2.26 H new ATOM 0 HZ2 LYS A 64 -3.533 -7.195 4.990 1.00 2.26 H new ATOM 0 HZ3 LYS A 64 -4.201 -7.932 3.614 1.00 2.26 H new ATOM 995 N VAL A 65 -6.538 -1.359 2.673 1.00 0.30 N ATOM 996 CA VAL A 65 -7.902 -0.836 2.969 1.00 0.32 C ATOM 997 C VAL A 65 -8.938 -1.957 2.909 1.00 0.31 C ATOM 998 O VAL A 65 -8.795 -2.911 2.171 1.00 0.36 O ATOM 999 CB VAL A 65 -8.183 0.189 1.874 1.00 0.40 C ATOM 1000 CG1 VAL A 65 -9.588 0.770 2.070 1.00 0.45 C ATOM 1001 CG2 VAL A 65 -7.146 1.311 1.946 1.00 0.70 C ATOM 0 H VAL A 65 -6.470 -1.964 1.855 1.00 0.30 H new ATOM 0 HA VAL A 65 -7.957 -0.404 3.968 1.00 0.32 H new ATOM 0 HB VAL A 65 -8.124 -0.293 0.898 1.00 0.40 H new ATOM 0 HG11 VAL A 65 -9.791 1.503 1.289 1.00 0.45 H new ATOM 0 HG12 VAL A 65 -10.324 -0.032 2.016 1.00 0.45 H new ATOM 0 HG13 VAL A 65 -9.649 1.253 3.045 1.00 0.45 H new ATOM 0 HG21 VAL A 65 -7.347 2.043 1.164 1.00 0.70 H new ATOM 0 HG22 VAL A 65 -7.202 1.796 2.920 1.00 0.70 H new ATOM 0 HG23 VAL A 65 -6.149 0.894 1.805 1.00 0.70 H new ATOM 1011 N ASP A 66 -9.989 -1.837 3.668 1.00 0.35 N ATOM 1012 CA ASP A 66 -11.046 -2.882 3.643 1.00 0.39 C ATOM 1013 C ASP A 66 -12.175 -2.439 2.711 1.00 0.40 C ATOM 1014 O ASP A 66 -13.088 -1.746 3.115 1.00 0.44 O ATOM 1015 CB ASP A 66 -11.543 -2.984 5.085 1.00 0.47 C ATOM 1016 CG ASP A 66 -10.683 -3.990 5.850 1.00 0.67 C ATOM 1017 OD1 ASP A 66 -9.472 -3.925 5.718 1.00 1.30 O ATOM 1018 OD2 ASP A 66 -11.249 -4.810 6.555 1.00 1.38 O ATOM 0 H ASP A 66 -10.162 -1.059 4.305 1.00 0.35 H new ATOM 0 HA ASP A 66 -10.681 -3.842 3.279 1.00 0.39 H new ATOM 0 HB2 ASP A 66 -11.495 -2.008 5.567 1.00 0.47 H new ATOM 0 HB3 ASP A 66 -12.587 -3.296 5.100 1.00 0.47 H new ATOM 1023 N ALA A 67 -12.111 -2.821 1.462 1.00 0.40 N ATOM 1024 CA ALA A 67 -13.172 -2.417 0.488 1.00 0.46 C ATOM 1025 C ALA A 67 -14.571 -2.622 1.084 1.00 0.51 C ATOM 1026 O ALA A 67 -15.515 -1.948 0.722 1.00 0.57 O ATOM 1027 CB ALA A 67 -12.964 -3.334 -0.717 1.00 0.51 C ATOM 0 H ALA A 67 -11.366 -3.398 1.072 1.00 0.40 H new ATOM 0 HA ALA A 67 -13.102 -1.362 0.224 1.00 0.46 H new ATOM 0 HB1 ALA A 67 -13.705 -3.103 -1.482 1.00 0.51 H new ATOM 0 HB2 ALA A 67 -11.964 -3.181 -1.122 1.00 0.51 H new ATOM 0 HB3 ALA A 67 -13.075 -4.373 -0.407 1.00 0.51 H new ATOM 1033 N THR A 68 -14.707 -3.541 1.998 1.00 0.53 N ATOM 1034 CA THR A 68 -16.041 -3.779 2.619 1.00 0.62 C ATOM 1035 C THR A 68 -16.265 -2.796 3.770 1.00 0.64 C ATOM 1036 O THR A 68 -17.384 -2.474 4.118 1.00 0.86 O ATOM 1037 CB THR A 68 -15.988 -5.216 3.140 1.00 0.66 C ATOM 1038 OG1 THR A 68 -14.840 -5.379 3.959 1.00 1.29 O ATOM 1039 CG2 THR A 68 -15.918 -6.185 1.959 1.00 1.35 C ATOM 0 H THR A 68 -13.954 -4.137 2.342 1.00 0.53 H new ATOM 0 HA THR A 68 -16.859 -3.635 1.913 1.00 0.62 H new ATOM 0 HB THR A 68 -16.883 -5.425 3.725 1.00 0.66 H new ATOM 0 HG1 THR A 68 -15.098 -5.805 4.803 1.00 1.29 H new ATOM 0 HG21 THR A 68 -15.880 -7.209 2.330 1.00 1.35 H new ATOM 0 HG22 THR A 68 -16.801 -6.059 1.332 1.00 1.35 H new ATOM 0 HG23 THR A 68 -15.023 -5.979 1.372 1.00 1.35 H new ATOM 1047 N GLU A 69 -15.206 -2.312 4.360 1.00 0.57 N ATOM 1048 CA GLU A 69 -15.353 -1.345 5.483 1.00 0.61 C ATOM 1049 C GLU A 69 -15.524 0.072 4.931 1.00 0.57 C ATOM 1050 O GLU A 69 -16.524 0.722 5.169 1.00 0.66 O ATOM 1051 CB GLU A 69 -14.052 -1.459 6.279 1.00 0.63 C ATOM 1052 CG GLU A 69 -14.247 -0.845 7.667 1.00 0.83 C ATOM 1053 CD GLU A 69 -13.193 0.239 7.898 1.00 1.50 C ATOM 1054 OE1 GLU A 69 -12.056 -0.117 8.162 1.00 2.10 O ATOM 1055 OE2 GLU A 69 -13.539 1.405 7.806 1.00 2.22 O ATOM 0 H GLU A 69 -14.245 -2.545 4.112 1.00 0.57 H new ATOM 0 HA GLU A 69 -16.225 -1.555 6.102 1.00 0.61 H new ATOM 0 HB2 GLU A 69 -13.760 -2.505 6.370 1.00 0.63 H new ATOM 0 HB3 GLU A 69 -13.246 -0.947 5.753 1.00 0.63 H new ATOM 0 HG2 GLU A 69 -15.247 -0.419 7.751 1.00 0.83 H new ATOM 0 HG3 GLU A 69 -14.164 -1.617 8.433 1.00 0.83 H new ATOM 1062 N GLU A 70 -14.562 0.557 4.193 1.00 0.52 N ATOM 1063 CA GLU A 70 -14.682 1.930 3.626 1.00 0.57 C ATOM 1064 C GLU A 70 -15.522 1.898 2.349 1.00 0.72 C ATOM 1065 O GLU A 70 -16.613 2.430 2.295 1.00 1.34 O ATOM 1066 CB GLU A 70 -13.247 2.355 3.324 1.00 0.71 C ATOM 1067 CG GLU A 70 -12.415 2.273 4.605 1.00 1.05 C ATOM 1068 CD GLU A 70 -11.392 1.143 4.478 1.00 1.37 C ATOM 1069 OE1 GLU A 70 -11.736 0.121 3.907 1.00 1.97 O ATOM 1070 OE2 GLU A 70 -10.283 1.318 4.957 1.00 1.89 O ATOM 0 H GLU A 70 -13.701 0.063 3.959 1.00 0.52 H new ATOM 0 HA GLU A 70 -15.174 2.624 4.308 1.00 0.57 H new ATOM 0 HB2 GLU A 70 -12.819 1.710 2.557 1.00 0.71 H new ATOM 0 HB3 GLU A 70 -13.232 3.372 2.931 1.00 0.71 H new ATOM 0 HG2 GLU A 70 -11.906 3.220 4.782 1.00 1.05 H new ATOM 0 HG3 GLU A 70 -13.064 2.095 5.462 1.00 1.05 H new ATOM 1077 N SER A 71 -15.019 1.271 1.320 1.00 0.55 N ATOM 1078 CA SER A 71 -15.781 1.190 0.034 1.00 0.66 C ATOM 1079 C SER A 71 -16.116 2.589 -0.490 1.00 0.70 C ATOM 1080 O SER A 71 -16.982 2.757 -1.326 1.00 0.94 O ATOM 1081 CB SER A 71 -17.063 0.436 0.377 1.00 0.79 C ATOM 1082 OG SER A 71 -17.230 -0.647 -0.529 1.00 1.48 O ATOM 0 H SER A 71 -14.110 0.809 1.312 1.00 0.55 H new ATOM 0 HA SER A 71 -15.204 0.692 -0.745 1.00 0.66 H new ATOM 0 HB2 SER A 71 -17.017 0.064 1.401 1.00 0.79 H new ATOM 0 HB3 SER A 71 -17.920 1.108 0.320 1.00 0.79 H new ATOM 0 HG SER A 71 -16.474 -1.265 -0.443 1.00 1.48 H new ATOM 1088 N ASP A 72 -15.438 3.594 -0.011 1.00 0.67 N ATOM 1089 CA ASP A 72 -15.722 4.978 -0.487 1.00 0.71 C ATOM 1090 C ASP A 72 -14.657 5.411 -1.495 1.00 0.68 C ATOM 1091 O ASP A 72 -14.924 6.160 -2.414 1.00 0.77 O ATOM 1092 CB ASP A 72 -15.663 5.848 0.768 1.00 0.78 C ATOM 1093 CG ASP A 72 -17.008 6.550 0.964 1.00 1.08 C ATOM 1094 OD1 ASP A 72 -17.498 7.127 0.008 1.00 1.57 O ATOM 1095 OD2 ASP A 72 -17.525 6.498 2.068 1.00 1.83 O ATOM 0 H ASP A 72 -14.700 3.518 0.689 1.00 0.67 H new ATOM 0 HA ASP A 72 -16.687 5.057 -0.988 1.00 0.71 H new ATOM 0 HB2 ASP A 72 -15.430 5.235 1.638 1.00 0.78 H new ATOM 0 HB3 ASP A 72 -14.866 6.585 0.675 1.00 0.78 H new ATOM 1100 N LEU A 73 -13.453 4.941 -1.331 1.00 0.63 N ATOM 1101 CA LEU A 73 -12.368 5.317 -2.281 1.00 0.68 C ATOM 1102 C LEU A 73 -12.245 4.258 -3.382 1.00 0.60 C ATOM 1103 O LEU A 73 -11.721 4.514 -4.447 1.00 0.64 O ATOM 1104 CB LEU A 73 -11.099 5.366 -1.431 1.00 0.83 C ATOM 1105 CG LEU A 73 -11.299 6.344 -0.271 1.00 0.79 C ATOM 1106 CD1 LEU A 73 -11.560 5.562 1.017 1.00 1.22 C ATOM 1107 CD2 LEU A 73 -10.043 7.201 -0.102 1.00 0.97 C ATOM 0 H LEU A 73 -13.172 4.312 -0.579 1.00 0.63 H new ATOM 0 HA LEU A 73 -12.559 6.269 -2.777 1.00 0.68 H new ATOM 0 HB2 LEU A 73 -10.867 4.373 -1.047 1.00 0.83 H new ATOM 0 HB3 LEU A 73 -10.251 5.678 -2.041 1.00 0.83 H new ATOM 0 HG LEU A 73 -12.152 6.989 -0.484 1.00 0.79 H new ATOM 0 HD11 LEU A 73 -11.702 6.259 1.843 1.00 1.22 H new ATOM 0 HD12 LEU A 73 -12.456 4.953 0.898 1.00 1.22 H new ATOM 0 HD13 LEU A 73 -10.708 4.916 1.230 1.00 1.22 H new ATOM 0 HD21 LEU A 73 -10.186 7.897 0.724 1.00 0.97 H new ATOM 0 HD22 LEU A 73 -9.189 6.557 0.110 1.00 0.97 H new ATOM 0 HD23 LEU A 73 -9.858 7.760 -1.019 1.00 0.97 H new ATOM 1119 N ALA A 74 -12.727 3.070 -3.132 1.00 0.57 N ATOM 1120 CA ALA A 74 -12.642 1.996 -4.164 1.00 0.56 C ATOM 1121 C ALA A 74 -13.690 2.235 -5.254 1.00 0.59 C ATOM 1122 O ALA A 74 -13.421 2.088 -6.429 1.00 0.65 O ATOM 1123 CB ALA A 74 -12.936 0.699 -3.408 1.00 0.60 C ATOM 0 H ALA A 74 -13.176 2.797 -2.258 1.00 0.57 H new ATOM 0 HA ALA A 74 -11.670 1.967 -4.657 1.00 0.56 H new ATOM 0 HB1 ALA A 74 -12.893 -0.143 -4.099 1.00 0.60 H new ATOM 0 HB2 ALA A 74 -12.195 0.561 -2.621 1.00 0.60 H new ATOM 0 HB3 ALA A 74 -13.930 0.754 -2.965 1.00 0.60 H new ATOM 1129 N GLN A 75 -14.882 2.606 -4.872 1.00 0.64 N ATOM 1130 CA GLN A 75 -15.942 2.861 -5.888 1.00 0.76 C ATOM 1131 C GLN A 75 -15.573 4.084 -6.729 1.00 0.78 C ATOM 1132 O GLN A 75 -15.914 4.178 -7.891 1.00 0.86 O ATOM 1133 CB GLN A 75 -17.214 3.125 -5.082 1.00 0.87 C ATOM 1134 CG GLN A 75 -17.954 1.807 -4.846 1.00 1.42 C ATOM 1135 CD GLN A 75 -19.428 2.097 -4.557 1.00 1.83 C ATOM 1136 OE1 GLN A 75 -20.147 2.564 -5.417 1.00 2.35 O ATOM 1137 NE2 GLN A 75 -19.911 1.837 -3.373 1.00 2.40 N ATOM 0 H GLN A 75 -15.167 2.743 -3.902 1.00 0.64 H new ATOM 0 HA GLN A 75 -16.068 2.025 -6.576 1.00 0.76 H new ATOM 0 HB2 GLN A 75 -16.963 3.589 -4.128 1.00 0.87 H new ATOM 0 HB3 GLN A 75 -17.857 3.824 -5.617 1.00 0.87 H new ATOM 0 HG2 GLN A 75 -17.863 1.164 -5.722 1.00 1.42 H new ATOM 0 HG3 GLN A 75 -17.507 1.271 -4.009 1.00 1.42 H new ATOM 0 HE21 GLN A 75 -19.307 1.445 -2.651 1.00 2.40 H new ATOM 0 HE22 GLN A 75 -20.893 2.026 -3.170 1.00 2.40 H new ATOM 1146 N GLN A 76 -14.873 5.022 -6.149 1.00 0.76 N ATOM 1147 CA GLN A 76 -14.476 6.238 -6.914 1.00 0.84 C ATOM 1148 C GLN A 76 -13.361 5.893 -7.902 1.00 0.83 C ATOM 1149 O GLN A 76 -13.365 6.327 -9.037 1.00 0.94 O ATOM 1150 CB GLN A 76 -13.973 7.222 -5.859 1.00 0.89 C ATOM 1151 CG GLN A 76 -14.182 8.654 -6.355 1.00 1.14 C ATOM 1152 CD GLN A 76 -12.962 9.099 -7.164 1.00 1.49 C ATOM 1153 OE1 GLN A 76 -12.025 8.345 -7.336 1.00 2.20 O ATOM 1154 NE2 GLN A 76 -12.932 10.301 -7.670 1.00 1.97 N ATOM 0 H GLN A 76 -14.559 4.998 -5.179 1.00 0.76 H new ATOM 0 HA GLN A 76 -15.301 6.652 -7.495 1.00 0.84 H new ATOM 0 HB2 GLN A 76 -14.506 7.069 -4.921 1.00 0.89 H new ATOM 0 HB3 GLN A 76 -12.916 7.046 -5.657 1.00 0.89 H new ATOM 0 HG2 GLN A 76 -15.080 8.709 -6.971 1.00 1.14 H new ATOM 0 HG3 GLN A 76 -14.334 9.324 -5.509 1.00 1.14 H new ATOM 0 HE21 GLN A 76 -13.718 10.935 -7.526 1.00 1.97 H new ATOM 0 HE22 GLN A 76 -12.122 10.607 -8.210 1.00 1.97 H new ATOM 1163 N TYR A 77 -12.408 5.115 -7.476 1.00 0.74 N ATOM 1164 CA TYR A 77 -11.288 4.737 -8.386 1.00 0.81 C ATOM 1165 C TYR A 77 -11.762 3.693 -9.401 1.00 0.83 C ATOM 1166 O TYR A 77 -11.181 3.532 -10.456 1.00 1.00 O ATOM 1167 CB TYR A 77 -10.215 4.144 -7.471 1.00 0.80 C ATOM 1168 CG TYR A 77 -9.216 5.215 -7.108 1.00 0.81 C ATOM 1169 CD1 TYR A 77 -9.660 6.447 -6.613 1.00 1.18 C ATOM 1170 CD2 TYR A 77 -7.845 4.978 -7.267 1.00 1.42 C ATOM 1171 CE1 TYR A 77 -8.734 7.441 -6.277 1.00 1.19 C ATOM 1172 CE2 TYR A 77 -6.919 5.972 -6.931 1.00 1.56 C ATOM 1173 CZ TYR A 77 -7.364 7.204 -6.435 1.00 1.05 C ATOM 1174 OH TYR A 77 -6.451 8.184 -6.104 1.00 1.22 O ATOM 0 H TYR A 77 -12.354 4.723 -6.536 1.00 0.74 H new ATOM 0 HA TYR A 77 -10.914 5.588 -8.955 1.00 0.81 H new ATOM 0 HB2 TYR A 77 -10.674 3.739 -6.569 1.00 0.80 H new ATOM 0 HB3 TYR A 77 -9.712 3.317 -7.971 1.00 0.80 H new ATOM 0 HD1 TYR A 77 -10.717 6.630 -6.490 1.00 1.18 H new ATOM 0 HD2 TYR A 77 -7.502 4.028 -7.649 1.00 1.42 H new ATOM 0 HE1 TYR A 77 -9.077 8.391 -5.896 1.00 1.19 H new ATOM 0 HE2 TYR A 77 -5.862 5.789 -7.054 1.00 1.56 H new ATOM 0 HH TYR A 77 -6.484 8.349 -5.138 1.00 1.22 H new ATOM 1184 N GLY A 78 -12.812 2.984 -9.091 1.00 0.78 N ATOM 1185 CA GLY A 78 -13.319 1.952 -10.039 1.00 0.87 C ATOM 1186 C GLY A 78 -12.387 0.740 -10.016 1.00 0.88 C ATOM 1187 O GLY A 78 -11.950 0.260 -11.043 1.00 1.52 O ATOM 0 H GLY A 78 -13.340 3.074 -8.223 1.00 0.78 H new ATOM 0 HA2 GLY A 78 -14.330 1.653 -9.762 1.00 0.87 H new ATOM 0 HA3 GLY A 78 -13.374 2.364 -11.047 1.00 0.87 H new ATOM 1191 N VAL A 79 -12.080 0.238 -8.850 1.00 0.80 N ATOM 1192 CA VAL A 79 -11.176 -0.945 -8.760 1.00 0.79 C ATOM 1193 C VAL A 79 -11.684 -2.072 -9.665 1.00 1.13 C ATOM 1194 O VAL A 79 -12.797 -2.034 -10.151 1.00 1.54 O ATOM 1195 CB VAL A 79 -11.225 -1.367 -7.291 1.00 0.76 C ATOM 1196 CG1 VAL A 79 -10.725 -0.218 -6.414 1.00 0.72 C ATOM 1197 CG2 VAL A 79 -12.666 -1.711 -6.906 1.00 1.30 C ATOM 0 H VAL A 79 -12.416 0.596 -7.956 1.00 0.80 H new ATOM 0 HA VAL A 79 -10.161 -0.716 -9.084 1.00 0.79 H new ATOM 0 HB VAL A 79 -10.591 -2.241 -7.143 1.00 0.76 H new ATOM 0 HG11 VAL A 79 -10.760 -0.518 -5.367 1.00 0.72 H new ATOM 0 HG12 VAL A 79 -9.699 0.028 -6.687 1.00 0.72 H new ATOM 0 HG13 VAL A 79 -11.360 0.656 -6.562 1.00 0.72 H new ATOM 0 HG21 VAL A 79 -12.701 -2.012 -5.859 1.00 1.30 H new ATOM 0 HG22 VAL A 79 -13.301 -0.837 -7.054 1.00 1.30 H new ATOM 0 HG23 VAL A 79 -13.024 -2.529 -7.531 1.00 1.30 H new ATOM 1207 N ARG A 80 -10.878 -3.072 -9.899 1.00 1.27 N ATOM 1208 CA ARG A 80 -11.318 -4.193 -10.779 1.00 1.72 C ATOM 1209 C ARG A 80 -11.242 -5.526 -10.029 1.00 1.38 C ATOM 1210 O ARG A 80 -10.781 -6.519 -10.557 1.00 1.87 O ATOM 1211 CB ARG A 80 -10.337 -4.180 -11.950 1.00 2.38 C ATOM 1212 CG ARG A 80 -10.904 -3.319 -13.082 1.00 2.85 C ATOM 1213 CD ARG A 80 -12.195 -3.952 -13.608 1.00 3.49 C ATOM 1214 NE ARG A 80 -12.427 -3.308 -14.931 1.00 4.06 N ATOM 1215 CZ ARG A 80 -13.360 -3.762 -15.723 1.00 4.70 C ATOM 1216 NH1 ARG A 80 -14.604 -3.423 -15.527 1.00 5.09 N ATOM 1217 NH2 ARG A 80 -13.049 -4.554 -16.712 1.00 5.25 N ATOM 0 H ARG A 80 -9.935 -3.161 -9.520 1.00 1.27 H new ATOM 0 HA ARG A 80 -12.351 -4.077 -11.107 1.00 1.72 H new ATOM 0 HB2 ARG A 80 -9.374 -3.786 -11.627 1.00 2.38 H new ATOM 0 HB3 ARG A 80 -10.163 -5.196 -12.304 1.00 2.38 H new ATOM 0 HG2 ARG A 80 -11.102 -2.310 -12.721 1.00 2.85 H new ATOM 0 HG3 ARG A 80 -10.175 -3.232 -13.887 1.00 2.85 H new ATOM 0 HD2 ARG A 80 -12.093 -5.033 -13.707 1.00 3.49 H new ATOM 0 HD3 ARG A 80 -13.029 -3.771 -12.929 1.00 3.49 H new ATOM 0 HE ARG A 80 -11.857 -2.512 -15.218 1.00 4.06 H new ATOM 0 HH11 ARG A 80 -14.848 -2.803 -14.755 1.00 5.09 H new ATOM 0 HH12 ARG A 80 -15.333 -3.778 -16.146 1.00 5.09 H new ATOM 0 HH21 ARG A 80 -12.076 -4.819 -16.867 1.00 5.25 H new ATOM 0 HH22 ARG A 80 -13.779 -4.908 -17.330 1.00 5.25 H new ATOM 1231 N GLY A 81 -11.693 -5.560 -8.805 1.00 0.87 N ATOM 1232 CA GLY A 81 -11.649 -6.832 -8.029 1.00 0.81 C ATOM 1233 C GLY A 81 -10.431 -6.832 -7.103 1.00 0.74 C ATOM 1234 O GLY A 81 -9.494 -6.081 -7.291 1.00 1.17 O ATOM 0 H GLY A 81 -12.090 -4.762 -8.309 1.00 0.87 H new ATOM 0 HA2 GLY A 81 -12.562 -6.944 -7.444 1.00 0.81 H new ATOM 0 HA3 GLY A 81 -11.600 -7.682 -8.709 1.00 0.81 H new ATOM 1238 N TYR A 82 -10.439 -7.670 -6.102 1.00 0.61 N ATOM 1239 CA TYR A 82 -9.281 -7.724 -5.156 1.00 0.52 C ATOM 1240 C TYR A 82 -8.421 -8.962 -5.463 1.00 0.54 C ATOM 1241 O TYR A 82 -8.902 -9.896 -6.074 1.00 0.61 O ATOM 1242 CB TYR A 82 -9.900 -7.838 -3.754 1.00 0.59 C ATOM 1243 CG TYR A 82 -10.977 -6.792 -3.576 1.00 0.61 C ATOM 1244 CD1 TYR A 82 -10.758 -5.479 -4.009 1.00 0.64 C ATOM 1245 CD2 TYR A 82 -12.197 -7.140 -2.986 1.00 0.97 C ATOM 1246 CE1 TYR A 82 -11.761 -4.514 -3.855 1.00 0.68 C ATOM 1247 CE2 TYR A 82 -13.199 -6.177 -2.830 1.00 1.04 C ATOM 1248 CZ TYR A 82 -12.982 -4.862 -3.265 1.00 0.75 C ATOM 1249 OH TYR A 82 -13.973 -3.909 -3.118 1.00 0.85 O ATOM 0 H TYR A 82 -11.197 -8.321 -5.896 1.00 0.61 H new ATOM 0 HA TYR A 82 -8.639 -6.847 -5.240 1.00 0.52 H new ATOM 0 HB2 TYR A 82 -10.322 -8.833 -3.614 1.00 0.59 H new ATOM 0 HB3 TYR A 82 -9.128 -7.709 -2.995 1.00 0.59 H new ATOM 0 HD1 TYR A 82 -9.815 -5.210 -4.462 1.00 0.64 H new ATOM 0 HD2 TYR A 82 -12.365 -8.153 -2.651 1.00 0.97 H new ATOM 0 HE1 TYR A 82 -11.593 -3.502 -4.191 1.00 0.68 H new ATOM 0 HE2 TYR A 82 -14.140 -6.446 -2.374 1.00 1.04 H new ATOM 0 HH TYR A 82 -14.697 -4.272 -2.566 1.00 0.85 H new ATOM 1259 N PRO A 83 -7.170 -8.947 -5.041 1.00 0.54 N ATOM 1260 CA PRO A 83 -6.589 -7.799 -4.293 1.00 0.51 C ATOM 1261 C PRO A 83 -6.186 -6.681 -5.260 1.00 0.51 C ATOM 1262 O PRO A 83 -5.803 -6.928 -6.386 1.00 0.63 O ATOM 1263 CB PRO A 83 -5.358 -8.395 -3.621 1.00 0.59 C ATOM 1264 CG PRO A 83 -4.965 -9.564 -4.472 1.00 0.66 C ATOM 1265 CD PRO A 83 -6.189 -10.024 -5.228 1.00 0.64 C ATOM 0 HA PRO A 83 -7.287 -7.355 -3.583 1.00 0.51 H new ATOM 0 HB2 PRO A 83 -4.551 -7.664 -3.561 1.00 0.59 H new ATOM 0 HB3 PRO A 83 -5.581 -8.709 -2.601 1.00 0.59 H new ATOM 0 HG2 PRO A 83 -4.173 -9.281 -5.165 1.00 0.66 H new ATOM 0 HG3 PRO A 83 -4.574 -10.371 -3.853 1.00 0.66 H new ATOM 0 HD2 PRO A 83 -5.967 -10.179 -6.284 1.00 0.64 H new ATOM 0 HD3 PRO A 83 -6.562 -10.971 -4.839 1.00 0.64 H new ATOM 1273 N THR A 84 -6.260 -5.453 -4.826 1.00 0.45 N ATOM 1274 CA THR A 84 -5.875 -4.321 -5.716 1.00 0.45 C ATOM 1275 C THR A 84 -4.824 -3.449 -5.023 1.00 0.43 C ATOM 1276 O THR A 84 -5.128 -2.697 -4.119 1.00 0.52 O ATOM 1277 CB THR A 84 -7.167 -3.533 -5.938 1.00 0.48 C ATOM 1278 OG1 THR A 84 -8.265 -4.433 -5.988 1.00 0.67 O ATOM 1279 CG2 THR A 84 -7.078 -2.762 -7.256 1.00 0.56 C ATOM 0 H THR A 84 -6.571 -5.184 -3.892 1.00 0.45 H new ATOM 0 HA THR A 84 -5.441 -4.659 -6.657 1.00 0.45 H new ATOM 0 HB THR A 84 -7.309 -2.829 -5.118 1.00 0.48 H new ATOM 0 HG1 THR A 84 -8.413 -4.717 -6.914 1.00 0.67 H new ATOM 0 HG21 THR A 84 -7.999 -2.201 -7.412 1.00 0.56 H new ATOM 0 HG22 THR A 84 -6.235 -2.072 -7.218 1.00 0.56 H new ATOM 0 HG23 THR A 84 -6.936 -3.463 -8.079 1.00 0.56 H new ATOM 1287 N ILE A 85 -3.589 -3.551 -5.433 1.00 0.41 N ATOM 1288 CA ILE A 85 -2.519 -2.735 -4.789 1.00 0.41 C ATOM 1289 C ILE A 85 -2.287 -1.439 -5.571 1.00 0.41 C ATOM 1290 O ILE A 85 -2.396 -1.404 -6.781 1.00 0.54 O ATOM 1291 CB ILE A 85 -1.267 -3.611 -4.837 1.00 0.50 C ATOM 1292 CG1 ILE A 85 -1.503 -4.889 -4.029 1.00 0.89 C ATOM 1293 CG2 ILE A 85 -0.086 -2.845 -4.238 1.00 0.80 C ATOM 1294 CD1 ILE A 85 -2.230 -5.917 -4.899 1.00 1.27 C ATOM 0 H ILE A 85 -3.274 -4.163 -6.185 1.00 0.41 H new ATOM 0 HA ILE A 85 -2.784 -2.449 -3.771 1.00 0.41 H new ATOM 0 HB ILE A 85 -1.048 -3.871 -5.873 1.00 0.50 H new ATOM 0 HG12 ILE A 85 -0.552 -5.295 -3.686 1.00 0.89 H new ATOM 0 HG13 ILE A 85 -2.094 -4.666 -3.141 1.00 0.89 H new ATOM 0 HG21 ILE A 85 0.807 -3.469 -4.272 1.00 0.80 H new ATOM 0 HG22 ILE A 85 0.086 -1.934 -4.812 1.00 0.80 H new ATOM 0 HG23 ILE A 85 -0.308 -2.585 -3.203 1.00 0.80 H new ATOM 0 HD11 ILE A 85 -2.398 -6.827 -4.323 1.00 1.27 H new ATOM 0 HD12 ILE A 85 -3.188 -5.509 -5.220 1.00 1.27 H new ATOM 0 HD13 ILE A 85 -1.622 -6.148 -5.774 1.00 1.27 H new ATOM 1306 N LYS A 86 -1.958 -0.375 -4.890 1.00 0.37 N ATOM 1307 CA LYS A 86 -1.707 0.917 -5.595 1.00 0.40 C ATOM 1308 C LYS A 86 -0.587 1.690 -4.894 1.00 0.38 C ATOM 1309 O LYS A 86 -0.439 1.632 -3.690 1.00 0.49 O ATOM 1310 CB LYS A 86 -3.023 1.688 -5.508 1.00 0.48 C ATOM 1311 CG LYS A 86 -3.330 2.325 -6.865 1.00 0.94 C ATOM 1312 CD LYS A 86 -4.764 1.983 -7.280 1.00 1.03 C ATOM 1313 CE LYS A 86 -4.812 1.726 -8.787 1.00 1.37 C ATOM 1314 NZ LYS A 86 -6.107 1.025 -9.014 1.00 1.73 N ATOM 0 H LYS A 86 -1.852 -0.343 -3.876 1.00 0.37 H new ATOM 0 HA LYS A 86 -1.395 0.766 -6.628 1.00 0.40 H new ATOM 0 HB2 LYS A 86 -3.832 1.017 -5.218 1.00 0.48 H new ATOM 0 HB3 LYS A 86 -2.956 2.458 -4.739 1.00 0.48 H new ATOM 0 HG2 LYS A 86 -3.205 3.406 -6.807 1.00 0.94 H new ATOM 0 HG3 LYS A 86 -2.627 1.963 -7.615 1.00 0.94 H new ATOM 0 HD2 LYS A 86 -5.110 1.102 -6.739 1.00 1.03 H new ATOM 0 HD3 LYS A 86 -5.435 2.802 -7.018 1.00 1.03 H new ATOM 0 HE2 LYS A 86 -4.764 2.659 -9.349 1.00 1.37 H new ATOM 0 HE3 LYS A 86 -3.970 1.115 -9.111 1.00 1.37 H new ATOM 0 HZ1 LYS A 86 -6.214 0.814 -10.027 1.00 1.73 H new ATOM 0 HZ2 LYS A 86 -6.121 0.138 -8.472 1.00 1.73 H new ATOM 0 HZ3 LYS A 86 -6.891 1.634 -8.702 1.00 1.73 H new ATOM 1328 N PHE A 87 0.205 2.412 -5.637 1.00 0.37 N ATOM 1329 CA PHE A 87 1.316 3.187 -5.007 1.00 0.36 C ATOM 1330 C PHE A 87 1.135 4.686 -5.254 1.00 0.33 C ATOM 1331 O PHE A 87 1.000 5.130 -6.378 1.00 0.37 O ATOM 1332 CB PHE A 87 2.591 2.682 -5.690 1.00 0.42 C ATOM 1333 CG PHE A 87 3.790 3.473 -5.204 1.00 0.46 C ATOM 1334 CD1 PHE A 87 3.893 3.848 -3.856 1.00 0.44 C ATOM 1335 CD2 PHE A 87 4.800 3.828 -6.106 1.00 0.81 C ATOM 1336 CE1 PHE A 87 5.006 4.576 -3.413 1.00 0.46 C ATOM 1337 CE2 PHE A 87 5.912 4.557 -5.662 1.00 0.97 C ATOM 1338 CZ PHE A 87 6.013 4.931 -4.317 1.00 0.72 C ATOM 0 H PHE A 87 0.133 2.500 -6.651 1.00 0.37 H new ATOM 0 HA PHE A 87 1.347 3.049 -3.926 1.00 0.36 H new ATOM 0 HB2 PHE A 87 2.733 1.623 -5.475 1.00 0.42 H new ATOM 0 HB3 PHE A 87 2.496 2.778 -6.772 1.00 0.42 H new ATOM 0 HD1 PHE A 87 3.114 3.576 -3.159 1.00 0.44 H new ATOM 0 HD2 PHE A 87 4.722 3.540 -7.144 1.00 0.81 H new ATOM 0 HE1 PHE A 87 5.086 4.863 -2.375 1.00 0.46 H new ATOM 0 HE2 PHE A 87 6.691 4.830 -6.358 1.00 0.97 H new ATOM 0 HZ PHE A 87 6.869 5.494 -3.977 1.00 0.72 H new ATOM 1348 N PHE A 88 1.132 5.469 -4.211 1.00 0.33 N ATOM 1349 CA PHE A 88 0.962 6.938 -4.379 1.00 0.35 C ATOM 1350 C PHE A 88 2.286 7.662 -4.113 1.00 0.42 C ATOM 1351 O PHE A 88 3.051 7.280 -3.248 1.00 0.61 O ATOM 1352 CB PHE A 88 -0.081 7.328 -3.336 1.00 0.39 C ATOM 1353 CG PHE A 88 -1.438 6.856 -3.792 1.00 0.42 C ATOM 1354 CD1 PHE A 88 -1.877 7.138 -5.092 1.00 0.54 C ATOM 1355 CD2 PHE A 88 -2.257 6.132 -2.918 1.00 0.63 C ATOM 1356 CE1 PHE A 88 -3.135 6.696 -5.515 1.00 0.62 C ATOM 1357 CE2 PHE A 88 -3.514 5.691 -3.343 1.00 0.73 C ATOM 1358 CZ PHE A 88 -3.954 5.973 -4.642 1.00 0.62 C ATOM 0 H PHE A 88 1.240 5.153 -3.247 1.00 0.33 H new ATOM 0 HA PHE A 88 0.655 7.208 -5.390 1.00 0.35 H new ATOM 0 HB2 PHE A 88 0.167 6.883 -2.372 1.00 0.39 H new ATOM 0 HB3 PHE A 88 -0.087 8.409 -3.196 1.00 0.39 H new ATOM 0 HD1 PHE A 88 -1.245 7.696 -5.767 1.00 0.54 H new ATOM 0 HD2 PHE A 88 -1.918 5.914 -1.916 1.00 0.63 H new ATOM 0 HE1 PHE A 88 -3.474 6.913 -6.517 1.00 0.62 H new ATOM 0 HE2 PHE A 88 -4.146 5.132 -2.669 1.00 0.73 H new ATOM 0 HZ PHE A 88 -4.925 5.632 -4.969 1.00 0.62 H new ATOM 1368 N ARG A 89 2.560 8.704 -4.851 1.00 0.47 N ATOM 1369 CA ARG A 89 3.833 9.452 -4.643 1.00 0.55 C ATOM 1370 C ARG A 89 3.544 10.862 -4.117 1.00 0.64 C ATOM 1371 O ARG A 89 3.238 11.765 -4.869 1.00 1.05 O ATOM 1372 CB ARG A 89 4.483 9.517 -6.025 1.00 0.73 C ATOM 1373 CG ARG A 89 5.979 9.219 -5.903 1.00 1.15 C ATOM 1374 CD ARG A 89 6.355 8.087 -6.861 1.00 1.42 C ATOM 1375 NE ARG A 89 6.639 8.762 -8.157 1.00 1.73 N ATOM 1376 CZ ARG A 89 7.727 8.476 -8.818 1.00 2.07 C ATOM 1377 NH1 ARG A 89 7.919 7.265 -9.266 1.00 2.56 N ATOM 1378 NH2 ARG A 89 8.624 9.400 -9.030 1.00 2.43 N ATOM 0 H ARG A 89 1.958 9.069 -5.589 1.00 0.47 H new ATOM 0 HA ARG A 89 4.479 8.969 -3.910 1.00 0.55 H new ATOM 0 HB2 ARG A 89 4.012 8.797 -6.694 1.00 0.73 H new ATOM 0 HB3 ARG A 89 4.333 10.504 -6.463 1.00 0.73 H new ATOM 0 HG2 ARG A 89 6.558 10.113 -6.134 1.00 1.15 H new ATOM 0 HG3 ARG A 89 6.222 8.938 -4.878 1.00 1.15 H new ATOM 0 HD2 ARG A 89 7.226 7.538 -6.502 1.00 1.42 H new ATOM 0 HD3 ARG A 89 5.543 7.367 -6.960 1.00 1.42 H new ATOM 0 HE ARG A 89 5.983 9.449 -8.529 1.00 1.73 H new ATOM 0 HH11 ARG A 89 7.219 6.543 -9.099 1.00 2.56 H new ATOM 0 HH12 ARG A 89 8.769 7.041 -9.783 1.00 2.56 H new ATOM 0 HH21 ARG A 89 8.475 10.346 -8.679 1.00 2.43 H new ATOM 0 HH22 ARG A 89 9.474 9.176 -9.547 1.00 2.43 H new ATOM 1392 N ASN A 90 3.642 11.056 -2.829 1.00 0.57 N ATOM 1393 CA ASN A 90 3.378 12.405 -2.252 1.00 0.68 C ATOM 1394 C ASN A 90 2.011 12.927 -2.704 1.00 0.69 C ATOM 1395 O ASN A 90 1.853 14.092 -3.010 1.00 0.98 O ATOM 1396 CB ASN A 90 4.497 13.294 -2.796 1.00 0.87 C ATOM 1397 CG ASN A 90 4.405 14.680 -2.156 1.00 1.10 C ATOM 1398 OD1 ASN A 90 4.711 14.846 -0.992 1.00 1.65 O ATOM 1399 ND2 ASN A 90 3.993 15.691 -2.872 1.00 1.74 N ATOM 0 H ASN A 90 3.894 10.337 -2.151 1.00 0.57 H new ATOM 0 HA ASN A 90 3.361 12.387 -1.162 1.00 0.68 H new ATOM 0 HB2 ASN A 90 5.468 12.847 -2.582 1.00 0.87 H new ATOM 0 HB3 ASN A 90 4.416 13.376 -3.880 1.00 0.87 H new ATOM 0 HD21 ASN A 90 3.928 16.619 -2.454 1.00 1.74 H new ATOM 0 HD22 ASN A 90 3.736 15.553 -3.849 1.00 1.74 H new ATOM 1406 N GLY A 91 1.021 12.077 -2.743 1.00 0.65 N ATOM 1407 CA GLY A 91 -0.333 12.532 -3.170 1.00 0.75 C ATOM 1408 C GLY A 91 -0.333 12.807 -4.675 1.00 0.79 C ATOM 1409 O GLY A 91 0.127 13.837 -5.128 1.00 1.19 O ATOM 0 H GLY A 91 1.091 11.089 -2.498 1.00 0.65 H new ATOM 0 HA2 GLY A 91 -1.076 11.771 -2.929 1.00 0.75 H new ATOM 0 HA3 GLY A 91 -0.613 13.434 -2.626 1.00 0.75 H new ATOM 1413 N ASP A 92 -0.849 11.896 -5.454 1.00 0.90 N ATOM 1414 CA ASP A 92 -0.882 12.109 -6.930 1.00 1.27 C ATOM 1415 C ASP A 92 -2.311 12.420 -7.387 1.00 1.14 C ATOM 1416 O ASP A 92 -2.549 13.381 -8.090 1.00 1.70 O ATOM 1417 CB ASP A 92 -0.401 10.789 -7.533 1.00 1.93 C ATOM 1418 CG ASP A 92 0.116 11.034 -8.953 1.00 2.15 C ATOM 1419 OD1 ASP A 92 1.020 11.839 -9.102 1.00 2.68 O ATOM 1420 OD2 ASP A 92 -0.402 10.412 -9.866 1.00 2.41 O ATOM 0 H ASP A 92 -1.249 11.014 -5.133 1.00 0.90 H new ATOM 0 HA ASP A 92 -0.259 12.948 -7.240 1.00 1.27 H new ATOM 0 HB2 ASP A 92 0.389 10.362 -6.916 1.00 1.93 H new ATOM 0 HB3 ASP A 92 -1.217 10.067 -7.551 1.00 1.93 H new ATOM 1425 N THR A 93 -3.260 11.610 -6.986 1.00 0.96 N ATOM 1426 CA THR A 93 -4.688 11.841 -7.384 1.00 1.33 C ATOM 1427 C THR A 93 -4.793 12.186 -8.874 1.00 1.26 C ATOM 1428 O THR A 93 -5.321 13.216 -9.246 1.00 1.90 O ATOM 1429 CB THR A 93 -5.168 13.014 -6.523 1.00 1.74 C ATOM 1430 OG1 THR A 93 -4.479 14.197 -6.902 1.00 2.10 O ATOM 1431 CG2 THR A 93 -4.900 12.715 -5.048 1.00 1.92 C ATOM 0 H THR A 93 -3.108 10.792 -6.396 1.00 0.96 H new ATOM 0 HA THR A 93 -5.296 10.949 -7.230 1.00 1.33 H new ATOM 0 HB THR A 93 -6.238 13.155 -6.673 1.00 1.74 H new ATOM 0 HG1 THR A 93 -4.032 14.054 -7.762 1.00 2.10 H new ATOM 0 HG21 THR A 93 -5.243 13.552 -4.439 1.00 1.92 H new ATOM 0 HG22 THR A 93 -5.435 11.811 -4.757 1.00 1.92 H new ATOM 0 HG23 THR A 93 -3.831 12.569 -4.895 1.00 1.92 H new ATOM 1439 N ALA A 94 -4.298 11.333 -9.728 1.00 1.18 N ATOM 1440 CA ALA A 94 -4.373 11.615 -11.192 1.00 1.18 C ATOM 1441 C ALA A 94 -3.835 10.425 -11.987 1.00 1.14 C ATOM 1442 O ALA A 94 -4.502 9.885 -12.847 1.00 1.48 O ATOM 1443 CB ALA A 94 -3.493 12.847 -11.404 1.00 1.24 C ATOM 0 H ALA A 94 -3.845 10.454 -9.477 1.00 1.18 H new ATOM 0 HA ALA A 94 -5.396 11.784 -11.529 1.00 1.18 H new ATOM 0 HB1 ALA A 94 -3.496 13.119 -12.460 1.00 1.24 H new ATOM 0 HB2 ALA A 94 -3.881 13.677 -10.814 1.00 1.24 H new ATOM 0 HB3 ALA A 94 -2.473 12.624 -11.089 1.00 1.24 H new ATOM 1449 N SER A 95 -2.634 10.012 -11.703 1.00 1.20 N ATOM 1450 CA SER A 95 -2.048 8.856 -12.440 1.00 1.22 C ATOM 1451 C SER A 95 -1.071 8.092 -11.536 1.00 0.98 C ATOM 1452 O SER A 95 0.127 8.163 -11.724 1.00 0.98 O ATOM 1453 CB SER A 95 -1.314 9.475 -13.629 1.00 1.48 C ATOM 1454 OG SER A 95 -1.906 9.023 -14.837 1.00 2.01 O ATOM 0 H SER A 95 -2.030 10.424 -10.992 1.00 1.20 H new ATOM 0 HA SER A 95 -2.806 8.141 -12.760 1.00 1.22 H new ATOM 0 HB2 SER A 95 -1.361 10.563 -13.573 1.00 1.48 H new ATOM 0 HB3 SER A 95 -0.260 9.200 -13.603 1.00 1.48 H new ATOM 0 HG SER A 95 -1.437 9.421 -15.600 1.00 2.01 H new ATOM 1460 N PRO A 96 -1.616 7.381 -10.577 1.00 0.87 N ATOM 1461 CA PRO A 96 -0.767 6.599 -9.644 1.00 0.72 C ATOM 1462 C PRO A 96 -0.176 5.381 -10.357 1.00 0.65 C ATOM 1463 O PRO A 96 -0.547 5.060 -11.469 1.00 0.79 O ATOM 1464 CB PRO A 96 -1.738 6.166 -8.551 1.00 0.79 C ATOM 1465 CG PRO A 96 -3.083 6.173 -9.205 1.00 0.97 C ATOM 1466 CD PRO A 96 -3.047 7.233 -10.274 1.00 1.02 C ATOM 0 HA PRO A 96 0.078 7.167 -9.256 1.00 0.72 H new ATOM 0 HB2 PRO A 96 -1.489 5.175 -8.171 1.00 0.79 H new ATOM 0 HB3 PRO A 96 -1.708 6.850 -7.702 1.00 0.79 H new ATOM 0 HG2 PRO A 96 -3.307 5.197 -9.637 1.00 0.97 H new ATOM 0 HG3 PRO A 96 -3.865 6.386 -8.476 1.00 0.97 H new ATOM 0 HD2 PRO A 96 -3.613 6.931 -11.155 1.00 1.02 H new ATOM 0 HD3 PRO A 96 -3.480 8.170 -9.923 1.00 1.02 H new ATOM 1474 N LYS A 97 0.739 4.696 -9.727 1.00 0.55 N ATOM 1475 CA LYS A 97 1.344 3.501 -10.371 1.00 0.57 C ATOM 1476 C LYS A 97 0.669 2.230 -9.853 1.00 0.53 C ATOM 1477 O LYS A 97 -0.091 2.262 -8.906 1.00 0.89 O ATOM 1478 CB LYS A 97 2.813 3.532 -9.956 1.00 0.68 C ATOM 1479 CG LYS A 97 3.507 4.724 -10.620 1.00 0.85 C ATOM 1480 CD LYS A 97 4.908 4.311 -11.074 1.00 1.63 C ATOM 1481 CE LYS A 97 5.485 5.389 -11.995 1.00 2.05 C ATOM 1482 NZ LYS A 97 6.957 5.160 -11.980 1.00 2.61 N ATOM 0 H LYS A 97 1.092 4.914 -8.795 1.00 0.55 H new ATOM 0 HA LYS A 97 1.226 3.508 -11.455 1.00 0.57 H new ATOM 0 HB2 LYS A 97 2.894 3.609 -8.872 1.00 0.68 H new ATOM 0 HB3 LYS A 97 3.304 2.603 -10.248 1.00 0.68 H new ATOM 0 HG2 LYS A 97 2.923 5.069 -11.474 1.00 0.85 H new ATOM 0 HG3 LYS A 97 3.571 5.557 -9.920 1.00 0.85 H new ATOM 0 HD2 LYS A 97 5.556 4.172 -10.209 1.00 1.63 H new ATOM 0 HD3 LYS A 97 4.865 3.356 -11.597 1.00 1.63 H new ATOM 0 HE2 LYS A 97 5.082 5.303 -13.004 1.00 2.05 H new ATOM 0 HE3 LYS A 97 5.237 6.388 -11.637 1.00 2.05 H new ATOM 0 HZ1 LYS A 97 7.424 5.862 -12.590 1.00 2.61 H new ATOM 0 HZ2 LYS A 97 7.313 5.255 -11.008 1.00 2.61 H new ATOM 0 HZ3 LYS A 97 7.163 4.203 -12.332 1.00 2.61 H new ATOM 1496 N GLU A 98 0.939 1.114 -10.467 1.00 0.51 N ATOM 1497 CA GLU A 98 0.312 -0.157 -10.007 1.00 0.48 C ATOM 1498 C GLU A 98 1.396 -1.195 -9.702 1.00 0.45 C ATOM 1499 O GLU A 98 2.404 -1.268 -10.375 1.00 0.61 O ATOM 1500 CB GLU A 98 -0.559 -0.616 -11.177 1.00 0.61 C ATOM 1501 CG GLU A 98 -1.255 -1.928 -10.810 1.00 1.33 C ATOM 1502 CD GLU A 98 -2.627 -1.983 -11.484 1.00 2.10 C ATOM 1503 OE1 GLU A 98 -3.477 -1.187 -11.118 1.00 2.79 O ATOM 1504 OE2 GLU A 98 -2.806 -2.821 -12.352 1.00 2.61 O ATOM 0 H GLU A 98 1.566 1.025 -11.267 1.00 0.51 H new ATOM 0 HA GLU A 98 -0.271 -0.027 -9.095 1.00 0.48 H new ATOM 0 HB2 GLU A 98 -1.300 0.147 -11.414 1.00 0.61 H new ATOM 0 HB3 GLU A 98 0.053 -0.754 -12.068 1.00 0.61 H new ATOM 0 HG2 GLU A 98 -0.648 -2.776 -11.128 1.00 1.33 H new ATOM 0 HG3 GLU A 98 -1.366 -2.003 -9.728 1.00 1.33 H new ATOM 1511 N TYR A 99 1.196 -1.994 -8.691 1.00 0.45 N ATOM 1512 CA TYR A 99 2.218 -3.023 -8.346 1.00 0.46 C ATOM 1513 C TYR A 99 2.093 -4.229 -9.279 1.00 0.53 C ATOM 1514 O TYR A 99 1.056 -4.856 -9.365 1.00 0.67 O ATOM 1515 CB TYR A 99 1.903 -3.423 -6.904 1.00 0.52 C ATOM 1516 CG TYR A 99 3.156 -3.318 -6.069 1.00 0.64 C ATOM 1517 CD1 TYR A 99 4.239 -4.169 -6.322 1.00 1.20 C ATOM 1518 CD2 TYR A 99 3.236 -2.369 -5.043 1.00 1.58 C ATOM 1519 CE1 TYR A 99 5.402 -4.070 -5.549 1.00 1.49 C ATOM 1520 CE2 TYR A 99 4.399 -2.270 -4.271 1.00 2.05 C ATOM 1521 CZ TYR A 99 5.482 -3.121 -4.523 1.00 1.70 C ATOM 1522 OH TYR A 99 6.627 -3.023 -3.762 1.00 2.27 O ATOM 0 H TYR A 99 0.372 -1.980 -8.090 1.00 0.45 H new ATOM 0 HA TYR A 99 3.236 -2.647 -8.452 1.00 0.46 H new ATOM 0 HB2 TYR A 99 1.126 -2.776 -6.497 1.00 0.52 H new ATOM 0 HB3 TYR A 99 1.517 -4.442 -6.874 1.00 0.52 H new ATOM 0 HD1 TYR A 99 4.177 -4.901 -7.113 1.00 1.20 H new ATOM 0 HD2 TYR A 99 2.400 -1.713 -4.847 1.00 1.58 H new ATOM 0 HE1 TYR A 99 6.238 -4.726 -5.744 1.00 1.49 H new ATOM 0 HE2 TYR A 99 4.461 -1.537 -3.480 1.00 2.05 H new ATOM 0 HH TYR A 99 6.394 -3.079 -2.812 1.00 2.27 H new ATOM 1532 N THR A 100 3.146 -4.562 -9.975 1.00 0.60 N ATOM 1533 CA THR A 100 3.091 -5.730 -10.899 1.00 0.72 C ATOM 1534 C THR A 100 3.633 -6.979 -10.200 1.00 0.83 C ATOM 1535 O THR A 100 4.059 -7.922 -10.835 1.00 1.71 O ATOM 1536 CB THR A 100 3.987 -5.345 -12.079 1.00 0.93 C ATOM 1537 OG1 THR A 100 5.228 -4.858 -11.587 1.00 1.36 O ATOM 1538 CG2 THR A 100 3.304 -4.260 -12.912 1.00 1.13 C ATOM 0 H THR A 100 4.042 -4.075 -9.943 1.00 0.60 H new ATOM 0 HA THR A 100 2.074 -5.958 -11.218 1.00 0.72 H new ATOM 0 HB THR A 100 4.161 -6.221 -12.705 1.00 0.93 H new ATOM 0 HG1 THR A 100 5.805 -4.612 -12.340 1.00 1.36 H new ATOM 0 HG21 THR A 100 3.945 -3.988 -13.751 1.00 1.13 H new ATOM 0 HG22 THR A 100 2.352 -4.635 -13.289 1.00 1.13 H new ATOM 0 HG23 THR A 100 3.127 -3.382 -12.291 1.00 1.13 H new ATOM 1546 N ALA A 101 3.627 -6.988 -8.895 1.00 0.83 N ATOM 1547 CA ALA A 101 4.146 -8.173 -8.155 1.00 1.01 C ATOM 1548 C ALA A 101 3.022 -8.826 -7.344 1.00 1.36 C ATOM 1549 O ALA A 101 1.859 -8.714 -7.675 1.00 1.98 O ATOM 1550 CB ALA A 101 5.226 -7.615 -7.229 1.00 0.87 C ATOM 0 H ALA A 101 3.285 -6.226 -8.309 1.00 0.83 H new ATOM 0 HA ALA A 101 4.538 -8.940 -8.823 1.00 1.01 H new ATOM 0 HB1 ALA A 101 5.660 -8.427 -6.646 1.00 0.87 H new ATOM 0 HB2 ALA A 101 6.005 -7.138 -7.824 1.00 0.87 H new ATOM 0 HB3 ALA A 101 4.784 -6.881 -6.555 1.00 0.87 H new ATOM 1556 N GLY A 102 3.362 -9.509 -6.285 1.00 1.17 N ATOM 1557 CA GLY A 102 2.315 -10.169 -5.454 1.00 1.71 C ATOM 1558 C GLY A 102 2.735 -11.608 -5.153 1.00 1.08 C ATOM 1559 O GLY A 102 2.092 -12.553 -5.566 1.00 1.27 O ATOM 0 H GLY A 102 4.320 -9.639 -5.959 1.00 1.17 H new ATOM 0 HA2 GLY A 102 2.173 -9.618 -4.524 1.00 1.71 H new ATOM 0 HA3 GLY A 102 1.360 -10.160 -5.979 1.00 1.71 H new ATOM 1563 N ARG A 103 3.812 -11.783 -4.437 1.00 0.90 N ATOM 1564 CA ARG A 103 4.275 -13.162 -4.111 1.00 1.11 C ATOM 1565 C ARG A 103 4.861 -13.208 -2.699 1.00 0.94 C ATOM 1566 O ARG A 103 4.618 -14.127 -1.944 1.00 1.04 O ATOM 1567 CB ARG A 103 5.352 -13.477 -5.148 1.00 1.71 C ATOM 1568 CG ARG A 103 5.007 -14.787 -5.860 1.00 2.44 C ATOM 1569 CD ARG A 103 6.287 -15.431 -6.397 1.00 3.16 C ATOM 1570 NE ARG A 103 5.818 -16.473 -7.352 1.00 3.73 N ATOM 1571 CZ ARG A 103 6.505 -17.572 -7.510 1.00 4.34 C ATOM 1572 NH1 ARG A 103 6.518 -18.473 -6.567 1.00 4.84 N ATOM 1573 NH2 ARG A 103 7.178 -17.770 -8.611 1.00 4.81 N ATOM 0 H ARG A 103 4.391 -11.031 -4.064 1.00 0.90 H new ATOM 0 HA ARG A 103 3.459 -13.885 -4.138 1.00 1.11 H new ATOM 0 HB2 ARG A 103 5.424 -12.665 -5.872 1.00 1.71 H new ATOM 0 HB3 ARG A 103 6.325 -13.559 -4.664 1.00 1.71 H new ATOM 0 HG2 ARG A 103 4.507 -15.467 -5.170 1.00 2.44 H new ATOM 0 HG3 ARG A 103 4.313 -14.596 -6.678 1.00 2.44 H new ATOM 0 HD2 ARG A 103 6.921 -14.696 -6.893 1.00 3.16 H new ATOM 0 HD3 ARG A 103 6.877 -15.869 -5.592 1.00 3.16 H new ATOM 0 HE ARG A 103 4.959 -16.328 -7.883 1.00 3.73 H new ATOM 0 HH11 ARG A 103 5.992 -18.319 -5.707 1.00 4.84 H new ATOM 0 HH12 ARG A 103 7.054 -19.332 -6.690 1.00 4.84 H new ATOM 0 HH21 ARG A 103 7.167 -17.066 -9.349 1.00 4.81 H new ATOM 0 HH22 ARG A 103 7.714 -18.629 -8.733 1.00 4.81 H new ATOM 1587 N GLU A 104 5.636 -12.224 -2.339 1.00 0.75 N ATOM 1588 CA GLU A 104 6.240 -12.216 -0.974 1.00 0.66 C ATOM 1589 C GLU A 104 6.817 -10.835 -0.649 1.00 0.56 C ATOM 1590 O GLU A 104 6.840 -9.947 -1.478 1.00 0.57 O ATOM 1591 CB GLU A 104 7.351 -13.265 -1.025 1.00 0.79 C ATOM 1592 CG GLU A 104 8.311 -12.937 -2.170 1.00 1.59 C ATOM 1593 CD GLU A 104 9.320 -14.076 -2.331 1.00 1.87 C ATOM 1594 OE1 GLU A 104 10.164 -14.219 -1.463 1.00 2.51 O ATOM 1595 OE2 GLU A 104 9.231 -14.785 -3.320 1.00 2.04 O ATOM 0 H GLU A 104 5.878 -11.427 -2.927 1.00 0.75 H new ATOM 0 HA GLU A 104 5.505 -12.437 -0.200 1.00 0.66 H new ATOM 0 HB2 GLU A 104 7.891 -13.285 -0.078 1.00 0.79 H new ATOM 0 HB3 GLU A 104 6.923 -14.257 -1.168 1.00 0.79 H new ATOM 0 HG2 GLU A 104 7.754 -12.796 -3.097 1.00 1.59 H new ATOM 0 HG3 GLU A 104 8.832 -12.002 -1.966 1.00 1.59 H new ATOM 1602 N ALA A 105 7.280 -10.652 0.558 1.00 0.50 N ATOM 1603 CA ALA A 105 7.852 -9.332 0.951 1.00 0.44 C ATOM 1604 C ALA A 105 8.918 -8.889 -0.053 1.00 0.45 C ATOM 1605 O ALA A 105 9.008 -7.729 -0.402 1.00 0.47 O ATOM 1606 CB ALA A 105 8.474 -9.565 2.327 1.00 0.47 C ATOM 0 H ALA A 105 7.287 -11.362 1.291 1.00 0.50 H new ATOM 0 HA ALA A 105 7.096 -8.547 0.971 1.00 0.44 H new ATOM 0 HB1 ALA A 105 8.918 -8.637 2.687 1.00 0.47 H new ATOM 0 HB2 ALA A 105 7.703 -9.893 3.024 1.00 0.47 H new ATOM 0 HB3 ALA A 105 9.245 -10.332 2.253 1.00 0.47 H new ATOM 1612 N ASP A 106 9.730 -9.798 -0.526 1.00 0.51 N ATOM 1613 CA ASP A 106 10.784 -9.411 -1.511 1.00 0.56 C ATOM 1614 C ASP A 106 10.156 -8.628 -2.664 1.00 0.54 C ATOM 1615 O ASP A 106 10.612 -7.564 -3.031 1.00 0.64 O ATOM 1616 CB ASP A 106 11.370 -10.730 -2.015 1.00 0.67 C ATOM 1617 CG ASP A 106 12.012 -11.483 -0.848 1.00 1.18 C ATOM 1618 OD1 ASP A 106 12.506 -10.826 0.054 1.00 1.82 O ATOM 1619 OD2 ASP A 106 12.000 -12.702 -0.877 1.00 2.02 O ATOM 0 H ASP A 106 9.710 -10.786 -0.275 1.00 0.51 H new ATOM 0 HA ASP A 106 11.550 -8.774 -1.068 1.00 0.56 H new ATOM 0 HB2 ASP A 106 10.587 -11.339 -2.467 1.00 0.67 H new ATOM 0 HB3 ASP A 106 12.112 -10.538 -2.790 1.00 0.67 H new ATOM 1624 N ASP A 107 9.104 -9.147 -3.225 1.00 0.50 N ATOM 1625 CA ASP A 107 8.426 -8.441 -4.349 1.00 0.52 C ATOM 1626 C ASP A 107 8.015 -7.032 -3.911 1.00 0.51 C ATOM 1627 O ASP A 107 7.875 -6.135 -4.719 1.00 0.63 O ATOM 1628 CB ASP A 107 7.193 -9.290 -4.653 1.00 0.55 C ATOM 1629 CG ASP A 107 7.520 -10.279 -5.775 1.00 0.76 C ATOM 1630 OD1 ASP A 107 8.190 -11.260 -5.496 1.00 1.39 O ATOM 1631 OD2 ASP A 107 7.096 -10.039 -6.893 1.00 1.41 O ATOM 0 H ASP A 107 8.680 -10.034 -2.954 1.00 0.50 H new ATOM 0 HA ASP A 107 9.070 -8.327 -5.221 1.00 0.52 H new ATOM 0 HB2 ASP A 107 6.879 -9.828 -3.759 1.00 0.55 H new ATOM 0 HB3 ASP A 107 6.361 -8.650 -4.948 1.00 0.55 H new ATOM 1636 N ILE A 108 7.822 -6.832 -2.636 1.00 0.46 N ATOM 1637 CA ILE A 108 7.420 -5.483 -2.141 1.00 0.52 C ATOM 1638 C ILE A 108 8.643 -4.569 -2.045 1.00 0.50 C ATOM 1639 O ILE A 108 8.598 -3.409 -2.407 1.00 0.52 O ATOM 1640 CB ILE A 108 6.834 -5.726 -0.748 1.00 0.60 C ATOM 1641 CG1 ILE A 108 5.725 -6.778 -0.831 1.00 0.73 C ATOM 1642 CG2 ILE A 108 6.260 -4.417 -0.201 1.00 0.67 C ATOM 1643 CD1 ILE A 108 4.593 -6.262 -1.722 1.00 0.68 C ATOM 0 H ILE A 108 7.925 -7.545 -1.914 1.00 0.46 H new ATOM 0 HA ILE A 108 6.706 -4.999 -2.808 1.00 0.52 H new ATOM 0 HB ILE A 108 7.620 -6.084 -0.083 1.00 0.60 H new ATOM 0 HG12 ILE A 108 6.123 -7.709 -1.234 1.00 0.73 H new ATOM 0 HG13 ILE A 108 5.344 -6.999 0.166 1.00 0.73 H new ATOM 0 HG21 ILE A 108 5.842 -4.589 0.791 1.00 0.67 H new ATOM 0 HG22 ILE A 108 7.052 -3.671 -0.137 1.00 0.67 H new ATOM 0 HG23 ILE A 108 5.476 -4.057 -0.867 1.00 0.67 H new ATOM 0 HD11 ILE A 108 3.805 -7.012 -1.780 1.00 0.68 H new ATOM 0 HD12 ILE A 108 4.188 -5.342 -1.300 1.00 0.68 H new ATOM 0 HD13 ILE A 108 4.979 -6.063 -2.722 1.00 0.68 H new ATOM 1655 N VAL A 109 9.738 -5.084 -1.562 1.00 0.51 N ATOM 1656 CA VAL A 109 10.964 -4.247 -1.446 1.00 0.56 C ATOM 1657 C VAL A 109 11.593 -4.074 -2.823 1.00 0.51 C ATOM 1658 O VAL A 109 12.146 -3.041 -3.143 1.00 0.55 O ATOM 1659 CB VAL A 109 11.896 -5.028 -0.521 1.00 0.67 C ATOM 1660 CG1 VAL A 109 13.215 -4.267 -0.375 1.00 0.81 C ATOM 1661 CG2 VAL A 109 11.241 -5.184 0.853 1.00 0.86 C ATOM 0 H VAL A 109 9.837 -6.048 -1.243 1.00 0.51 H new ATOM 0 HA VAL A 109 10.757 -3.251 -1.055 1.00 0.56 H new ATOM 0 HB VAL A 109 12.087 -6.015 -0.943 1.00 0.67 H new ATOM 0 HG11 VAL A 109 13.883 -4.821 0.284 1.00 0.81 H new ATOM 0 HG12 VAL A 109 13.681 -4.156 -1.354 1.00 0.81 H new ATOM 0 HG13 VAL A 109 13.022 -3.282 0.049 1.00 0.81 H new ATOM 0 HG21 VAL A 109 11.907 -5.741 1.512 1.00 0.86 H new ATOM 0 HG22 VAL A 109 11.050 -4.199 1.279 1.00 0.86 H new ATOM 0 HG23 VAL A 109 10.299 -5.723 0.748 1.00 0.86 H new ATOM 1671 N ASN A 110 11.503 -5.080 -3.644 1.00 0.50 N ATOM 1672 CA ASN A 110 12.082 -4.985 -5.009 1.00 0.52 C ATOM 1673 C ASN A 110 11.500 -3.773 -5.734 1.00 0.50 C ATOM 1674 O ASN A 110 12.212 -2.991 -6.333 1.00 0.59 O ATOM 1675 CB ASN A 110 11.663 -6.283 -5.695 1.00 0.59 C ATOM 1676 CG ASN A 110 12.772 -6.751 -6.637 1.00 0.98 C ATOM 1677 OD1 ASN A 110 13.168 -6.034 -7.535 1.00 1.65 O ATOM 1678 ND2 ASN A 110 13.293 -7.936 -6.467 1.00 1.29 N ATOM 0 H ASN A 110 11.051 -5.968 -3.427 1.00 0.50 H new ATOM 0 HA ASN A 110 13.165 -4.860 -5.004 1.00 0.52 H new ATOM 0 HB2 ASN A 110 11.459 -7.051 -4.948 1.00 0.59 H new ATOM 0 HB3 ASN A 110 10.740 -6.129 -6.253 1.00 0.59 H new ATOM 0 HD21 ASN A 110 14.034 -8.261 -7.088 1.00 1.29 H new ATOM 0 HD22 ASN A 110 12.959 -8.536 -5.713 1.00 1.29 H new ATOM 1685 N TRP A 111 10.211 -3.607 -5.672 1.00 0.46 N ATOM 1686 CA TRP A 111 9.580 -2.437 -6.344 1.00 0.51 C ATOM 1687 C TRP A 111 9.933 -1.162 -5.579 1.00 0.55 C ATOM 1688 O TRP A 111 10.102 -0.105 -6.153 1.00 0.66 O ATOM 1689 CB TRP A 111 8.075 -2.706 -6.285 1.00 0.55 C ATOM 1690 CG TRP A 111 7.457 -2.371 -7.604 1.00 0.58 C ATOM 1691 CD1 TRP A 111 7.160 -3.268 -8.573 1.00 0.73 C ATOM 1692 CD2 TRP A 111 7.057 -1.066 -8.117 1.00 0.69 C ATOM 1693 NE1 TRP A 111 6.602 -2.598 -9.646 1.00 0.84 N ATOM 1694 CE2 TRP A 111 6.518 -1.239 -9.414 1.00 0.83 C ATOM 1695 CE3 TRP A 111 7.109 0.235 -7.588 1.00 0.84 C ATOM 1696 CZ2 TRP A 111 6.048 -0.157 -10.160 1.00 1.03 C ATOM 1697 CZ3 TRP A 111 6.636 1.327 -8.336 1.00 1.07 C ATOM 1698 CH2 TRP A 111 6.107 1.130 -9.619 1.00 1.14 C ATOM 0 H TRP A 111 9.566 -4.230 -5.186 1.00 0.46 H new ATOM 0 HA TRP A 111 9.921 -2.305 -7.371 1.00 0.51 H new ATOM 0 HB2 TRP A 111 7.891 -3.752 -6.040 1.00 0.55 H new ATOM 0 HB3 TRP A 111 7.619 -2.109 -5.495 1.00 0.55 H new ATOM 0 HD1 TRP A 111 7.331 -4.333 -8.517 1.00 0.73 H new ATOM 0 HE1 TRP A 111 6.290 -3.052 -10.505 1.00 0.84 H new ATOM 0 HE3 TRP A 111 7.515 0.397 -6.600 1.00 0.84 H new ATOM 0 HZ2 TRP A 111 5.642 -0.313 -11.148 1.00 1.03 H new ATOM 0 HZ3 TRP A 111 6.680 2.323 -7.920 1.00 1.07 H new ATOM 0 HH2 TRP A 111 5.745 1.973 -10.189 1.00 1.14 H new ATOM 1709 N LEU A 112 10.051 -1.261 -4.283 1.00 0.55 N ATOM 1710 CA LEU A 112 10.401 -0.061 -3.473 1.00 0.65 C ATOM 1711 C LEU A 112 11.878 0.294 -3.671 1.00 0.65 C ATOM 1712 O LEU A 112 12.255 1.449 -3.656 1.00 0.75 O ATOM 1713 CB LEU A 112 10.137 -0.470 -2.022 1.00 0.74 C ATOM 1714 CG LEU A 112 8.764 0.048 -1.582 1.00 0.86 C ATOM 1715 CD1 LEU A 112 8.735 1.575 -1.687 1.00 1.10 C ATOM 1716 CD2 LEU A 112 7.677 -0.544 -2.481 1.00 1.49 C ATOM 0 H LEU A 112 9.920 -2.121 -3.751 1.00 0.55 H new ATOM 0 HA LEU A 112 9.821 0.816 -3.760 1.00 0.65 H new ATOM 0 HB2 LEU A 112 10.175 -1.555 -1.927 1.00 0.74 H new ATOM 0 HB3 LEU A 112 10.914 -0.066 -1.373 1.00 0.74 H new ATOM 0 HG LEU A 112 8.582 -0.250 -0.550 1.00 0.86 H new ATOM 0 HD11 LEU A 112 7.758 1.943 -1.374 1.00 1.10 H new ATOM 0 HD12 LEU A 112 9.506 1.999 -1.043 1.00 1.10 H new ATOM 0 HD13 LEU A 112 8.921 1.872 -2.719 1.00 1.10 H new ATOM 0 HD21 LEU A 112 6.702 -0.173 -2.165 1.00 1.49 H new ATOM 0 HD22 LEU A 112 7.860 -0.250 -3.515 1.00 1.49 H new ATOM 0 HD23 LEU A 112 7.694 -1.631 -2.405 1.00 1.49 H new ATOM 1728 N LYS A 113 12.720 -0.690 -3.859 1.00 0.62 N ATOM 1729 CA LYS A 113 14.169 -0.400 -4.060 1.00 0.70 C ATOM 1730 C LYS A 113 14.376 0.397 -5.352 1.00 0.75 C ATOM 1731 O LYS A 113 15.265 1.219 -5.449 1.00 1.01 O ATOM 1732 CB LYS A 113 14.837 -1.773 -4.164 1.00 0.79 C ATOM 1733 CG LYS A 113 15.964 -1.871 -3.133 1.00 1.42 C ATOM 1734 CD LYS A 113 16.236 -3.341 -2.809 1.00 1.84 C ATOM 1735 CE LYS A 113 16.604 -3.478 -1.329 1.00 2.39 C ATOM 1736 NZ LYS A 113 17.854 -2.686 -1.170 1.00 2.86 N ATOM 0 H LYS A 113 12.467 -1.678 -3.882 1.00 0.62 H new ATOM 0 HA LYS A 113 14.587 0.197 -3.249 1.00 0.70 H new ATOM 0 HB2 LYS A 113 14.103 -2.560 -3.992 1.00 0.79 H new ATOM 0 HB3 LYS A 113 15.234 -1.921 -5.168 1.00 0.79 H new ATOM 0 HG2 LYS A 113 16.867 -1.400 -3.521 1.00 1.42 H new ATOM 0 HG3 LYS A 113 15.689 -1.333 -2.226 1.00 1.42 H new ATOM 0 HD2 LYS A 113 15.355 -3.943 -3.033 1.00 1.84 H new ATOM 0 HD3 LYS A 113 17.047 -3.718 -3.433 1.00 1.84 H new ATOM 0 HE2 LYS A 113 15.810 -3.096 -0.688 1.00 2.39 H new ATOM 0 HE3 LYS A 113 16.760 -4.522 -1.056 1.00 2.39 H new ATOM 0 HZ1 LYS A 113 18.367 -3.013 -0.327 1.00 2.86 H new ATOM 0 HZ2 LYS A 113 18.454 -2.811 -2.011 1.00 2.86 H new ATOM 0 HZ3 LYS A 113 17.616 -1.679 -1.061 1.00 2.86 H new ATOM 1750 N LYS A 114 13.563 0.157 -6.344 1.00 0.71 N ATOM 1751 CA LYS A 114 13.715 0.900 -7.628 1.00 0.89 C ATOM 1752 C LYS A 114 13.643 2.410 -7.382 1.00 1.07 C ATOM 1753 O LYS A 114 14.092 3.200 -8.187 1.00 1.31 O ATOM 1754 CB LYS A 114 12.539 0.442 -8.493 1.00 0.92 C ATOM 1755 CG LYS A 114 12.639 1.088 -9.877 1.00 1.45 C ATOM 1756 CD LYS A 114 13.843 0.512 -10.626 1.00 1.77 C ATOM 1757 CE LYS A 114 13.881 1.081 -12.047 1.00 2.49 C ATOM 1758 NZ LYS A 114 13.015 0.173 -12.848 1.00 3.00 N ATOM 0 H LYS A 114 12.801 -0.520 -6.322 1.00 0.71 H new ATOM 0 HA LYS A 114 14.675 0.703 -8.105 1.00 0.89 H new ATOM 0 HB2 LYS A 114 12.544 -0.644 -8.586 1.00 0.92 H new ATOM 0 HB3 LYS A 114 11.597 0.717 -8.019 1.00 0.92 H new ATOM 0 HG2 LYS A 114 11.725 0.905 -10.442 1.00 1.45 H new ATOM 0 HG3 LYS A 114 12.742 2.169 -9.779 1.00 1.45 H new ATOM 0 HD2 LYS A 114 14.765 0.759 -10.099 1.00 1.77 H new ATOM 0 HD3 LYS A 114 13.777 -0.575 -10.660 1.00 1.77 H new ATOM 0 HE2 LYS A 114 13.509 2.105 -12.072 1.00 2.49 H new ATOM 0 HE3 LYS A 114 14.899 1.102 -12.437 1.00 2.49 H new ATOM 0 HZ1 LYS A 114 12.991 0.498 -13.836 1.00 3.00 H new ATOM 0 HZ2 LYS A 114 13.397 -0.793 -12.811 1.00 3.00 H new ATOM 0 HZ3 LYS A 114 12.051 0.179 -12.458 1.00 3.00 H new ATOM 1772 N ARG A 115 13.081 2.817 -6.276 1.00 1.09 N ATOM 1773 CA ARG A 115 12.981 4.276 -5.985 1.00 1.40 C ATOM 1774 C ARG A 115 14.035 4.685 -4.953 1.00 1.25 C ATOM 1775 O ARG A 115 14.475 5.817 -4.918 1.00 1.55 O ATOM 1776 CB ARG A 115 11.574 4.473 -5.419 1.00 1.86 C ATOM 1777 CG ARG A 115 11.352 5.953 -5.107 1.00 2.43 C ATOM 1778 CD ARG A 115 11.441 6.768 -6.399 1.00 2.92 C ATOM 1779 NE ARG A 115 12.643 7.631 -6.233 1.00 3.45 N ATOM 1780 CZ ARG A 115 13.011 8.429 -7.198 1.00 3.99 C ATOM 1781 NH1 ARG A 115 12.110 9.009 -7.943 1.00 4.34 N ATOM 1782 NH2 ARG A 115 14.278 8.648 -7.418 1.00 4.52 N ATOM 0 H ARG A 115 12.687 2.203 -5.562 1.00 1.09 H new ATOM 0 HA ARG A 115 13.153 4.885 -6.873 1.00 1.40 H new ATOM 0 HB2 ARG A 115 10.830 4.126 -6.136 1.00 1.86 H new ATOM 0 HB3 ARG A 115 11.447 3.877 -4.515 1.00 1.86 H new ATOM 0 HG2 ARG A 115 10.376 6.095 -4.642 1.00 2.43 H new ATOM 0 HG3 ARG A 115 12.099 6.301 -4.393 1.00 2.43 H new ATOM 0 HD2 ARG A 115 11.540 6.118 -7.269 1.00 2.92 H new ATOM 0 HD3 ARG A 115 10.543 7.368 -6.549 1.00 2.92 H new ATOM 0 HE ARG A 115 13.179 7.599 -5.366 1.00 3.45 H new ATOM 0 HH11 ARG A 115 11.119 8.839 -7.771 1.00 4.34 H new ATOM 0 HH12 ARG A 115 12.397 9.633 -8.697 1.00 4.34 H new ATOM 0 HH21 ARG A 115 14.982 8.195 -6.836 1.00 4.52 H new ATOM 0 HH22 ARG A 115 14.564 9.272 -8.173 1.00 4.52 H new