USER MOD reduce.3.24.130724 H: found=0, std=0, add=404, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 405 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 NoAdj-H: A 119 HIS HE2 : A 119 HIS NE2 : A 156 ZNZN :(H bumps) USER MOD Set 1.1: A 139 SER OG : rot 117:sc= 0.971 USER MOD Set 1.2: A 141 TYR OH : rot 48:sc= 1.42 USER MOD Single : A 94 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 95 LYS NZ :NH3+ 172:sc= 1.25 (180deg=1.2) USER MOD Single : A 102 SER OG : rot -144:sc= 0.685 USER MOD Single : A 103 TYR OH : rot 180:sc= 0 USER MOD Single : A 106 TYR OH : rot 180:sc= 0 USER MOD Single : A 108 TYR OH : rot 180:sc= 0 USER MOD Single : A 112 THR OG1 : rot 180:sc= 0 USER MOD Single : A 114 SER OG : rot 180:sc= -0.253 USER MOD Single : A 118 SER OG : rot 180:sc= 0 USER MOD Single : A 120 THR OG1 : rot 180:sc= 0.213 USER MOD Single : A 122 MET CE :methyl -121:sc= -1.45 (180deg=-6.97!) USER MOD Single : A 125 LYS NZ :NH3+ -162:sc= 0.847 (180deg=0.651) USER MOD Single : A 127 THR OG1 : rot 132:sc= 1.36 USER MOD Single : A 129 ASN : amide:sc= -0.0123 X(o=-0.012,f=-0.012) USER MOD Single : A 142 LYS NZ :NH3+ 175:sc= 1.54 (180deg=1.52) USER MOD Single : A 144 ASN : amide:sc= -1.68 K(o=-1.7,f=-8.7!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 94 -5.975 -8.104 -0.566 1.00 0.60 N ATOM 2 CA MET A 94 -6.612 -8.185 0.751 1.00 0.58 C ATOM 3 C MET A 94 -6.304 -9.499 1.465 1.00 0.98 C ATOM 4 O MET A 94 -6.684 -10.578 1.019 1.00 2.63 O ATOM 5 CB MET A 94 -8.139 -8.063 0.675 1.00 0.59 C ATOM 6 CG MET A 94 -8.593 -7.401 -0.605 1.00 0.65 C ATOM 7 SD MET A 94 -10.312 -6.843 -0.669 1.00 0.98 S ATOM 8 CE MET A 94 -11.097 -8.349 -1.298 1.00 2.80 C ATOM 0 HA MET A 94 -6.196 -7.345 1.307 1.00 0.58 H new ATOM 0 HB2 MET A 94 -8.586 -9.055 0.748 1.00 0.59 H new ATOM 0 HB3 MET A 94 -8.499 -7.488 1.528 1.00 0.59 H new ATOM 0 HG2 MET A 94 -7.949 -6.541 -0.789 1.00 0.65 H new ATOM 0 HG3 MET A 94 -8.432 -8.101 -1.425 1.00 0.65 H new ATOM 0 HE1 MET A 94 -12.170 -8.185 -1.401 1.00 2.80 H new ATOM 0 HE2 MET A 94 -10.674 -8.601 -2.270 1.00 2.80 H new ATOM 0 HE3 MET A 94 -10.921 -9.169 -0.602 1.00 2.80 H new ATOM 18 N LYS A 95 -5.612 -9.322 2.576 1.00 0.92 N ATOM 19 CA LYS A 95 -5.033 -10.250 3.548 1.00 0.84 C ATOM 20 C LYS A 95 -3.796 -9.651 4.221 1.00 0.75 C ATOM 21 O LYS A 95 -3.850 -9.193 5.357 1.00 1.18 O ATOM 22 CB LYS A 95 -4.769 -11.642 2.949 1.00 0.90 C ATOM 23 CG LYS A 95 -4.009 -11.736 1.604 1.00 0.84 C ATOM 24 CD LYS A 95 -2.683 -12.492 1.720 1.00 0.82 C ATOM 25 CE LYS A 95 -1.821 -12.379 0.458 1.00 0.93 C ATOM 26 NZ LYS A 95 -0.429 -12.832 0.723 1.00 1.71 N ATOM 0 H LYS A 95 -5.408 -8.366 2.868 1.00 0.92 H new ATOM 0 HA LYS A 95 -5.777 -10.404 4.330 1.00 0.84 H new ATOM 0 HB2 LYS A 95 -4.211 -12.219 3.686 1.00 0.90 H new ATOM 0 HB3 LYS A 95 -5.732 -12.136 2.820 1.00 0.90 H new ATOM 0 HG2 LYS A 95 -4.642 -12.233 0.869 1.00 0.84 H new ATOM 0 HG3 LYS A 95 -3.816 -10.730 1.230 1.00 0.84 H new ATOM 0 HD2 LYS A 95 -2.124 -12.106 2.572 1.00 0.82 H new ATOM 0 HD3 LYS A 95 -2.886 -13.544 1.922 1.00 0.82 H new ATOM 0 HE2 LYS A 95 -2.257 -12.980 -0.340 1.00 0.93 H new ATOM 0 HE3 LYS A 95 -1.811 -11.346 0.111 1.00 0.93 H new ATOM 0 HZ1 LYS A 95 0.098 -12.875 -0.172 1.00 1.71 H new ATOM 0 HZ2 LYS A 95 0.037 -12.162 1.368 1.00 1.71 H new ATOM 0 HZ3 LYS A 95 -0.448 -13.776 1.159 1.00 1.71 H new ATOM 40 N ASP A 96 -2.705 -9.664 3.464 1.00 0.61 N ATOM 41 CA ASP A 96 -1.313 -9.488 3.875 1.00 0.58 C ATOM 42 C ASP A 96 -0.380 -9.655 2.642 1.00 0.58 C ATOM 43 O ASP A 96 0.161 -10.731 2.375 1.00 0.74 O ATOM 44 CB ASP A 96 -1.016 -10.481 4.993 1.00 0.73 C ATOM 45 CG ASP A 96 0.453 -10.458 5.412 1.00 1.13 C ATOM 46 OD1 ASP A 96 1.030 -9.349 5.363 1.00 2.08 O ATOM 47 OD2 ASP A 96 0.960 -11.551 5.749 1.00 2.06 O ATOM 0 H ASP A 96 -2.776 -9.811 2.457 1.00 0.61 H new ATOM 0 HA ASP A 96 -1.134 -8.485 4.263 1.00 0.58 H new ATOM 0 HB2 ASP A 96 -1.641 -10.252 5.856 1.00 0.73 H new ATOM 0 HB3 ASP A 96 -1.282 -11.486 4.664 1.00 0.73 H new ATOM 52 N PRO A 97 -0.338 -8.630 1.779 1.00 0.48 N ATOM 53 CA PRO A 97 0.435 -8.542 0.539 1.00 0.50 C ATOM 54 C PRO A 97 1.843 -7.982 0.763 1.00 0.50 C ATOM 55 O PRO A 97 2.833 -8.503 0.259 1.00 0.73 O ATOM 56 CB PRO A 97 -0.366 -7.545 -0.313 1.00 0.51 C ATOM 57 CG PRO A 97 -1.061 -6.648 0.716 1.00 0.47 C ATOM 58 CD PRO A 97 -1.291 -7.554 1.888 1.00 0.47 C ATOM 0 HA PRO A 97 0.569 -9.525 0.087 1.00 0.50 H new ATOM 0 HB2 PRO A 97 0.286 -6.968 -0.969 1.00 0.51 H new ATOM 0 HB3 PRO A 97 -1.089 -8.055 -0.950 1.00 0.51 H new ATOM 0 HG2 PRO A 97 -0.439 -5.795 0.987 1.00 0.47 H new ATOM 0 HG3 PRO A 97 -1.999 -6.249 0.329 1.00 0.47 H new ATOM 0 HD2 PRO A 97 -1.158 -7.014 2.825 1.00 0.47 H new ATOM 0 HD3 PRO A 97 -2.311 -7.939 1.884 1.00 0.47 H new ATOM 66 N ILE A 98 1.876 -6.858 1.472 1.00 0.48 N ATOM 67 CA ILE A 98 2.951 -5.935 1.773 1.00 0.50 C ATOM 68 C ILE A 98 2.609 -5.402 3.152 1.00 0.45 C ATOM 69 O ILE A 98 1.438 -5.156 3.450 1.00 0.42 O ATOM 70 CB ILE A 98 2.995 -4.734 0.801 1.00 0.53 C ATOM 71 CG1 ILE A 98 2.650 -5.016 -0.688 1.00 0.56 C ATOM 72 CG2 ILE A 98 4.340 -4.018 1.029 1.00 0.59 C ATOM 73 CD1 ILE A 98 3.800 -5.107 -1.676 1.00 0.67 C ATOM 0 H ILE A 98 1.015 -6.532 1.911 1.00 0.48 H new ATOM 0 HA ILE A 98 3.915 -6.439 1.699 1.00 0.50 H new ATOM 0 HB ILE A 98 2.162 -4.074 1.043 1.00 0.53 H new ATOM 0 HG12 ILE A 98 2.096 -5.954 -0.732 1.00 0.56 H new ATOM 0 HG13 ILE A 98 1.976 -4.231 -1.030 1.00 0.56 H new ATOM 0 HG21 ILE A 98 4.413 -3.160 0.360 1.00 0.59 H new ATOM 0 HG22 ILE A 98 4.401 -3.678 2.063 1.00 0.59 H new ATOM 0 HG23 ILE A 98 5.159 -4.708 0.825 1.00 0.59 H new ATOM 0 HD11 ILE A 98 3.408 -5.307 -2.673 1.00 0.67 H new ATOM 0 HD12 ILE A 98 4.348 -4.165 -1.684 1.00 0.67 H new ATOM 0 HD13 ILE A 98 4.470 -5.914 -1.381 1.00 0.67 H new ATOM 85 N ILE A 99 3.636 -5.179 3.946 1.00 0.49 N ATOM 86 CA ILE A 99 3.536 -4.671 5.305 1.00 0.45 C ATOM 87 C ILE A 99 4.025 -3.232 5.348 1.00 0.42 C ATOM 88 O ILE A 99 4.955 -2.881 4.628 1.00 0.54 O ATOM 89 CB ILE A 99 4.373 -5.580 6.224 1.00 0.52 C ATOM 90 CG1 ILE A 99 3.777 -6.999 6.319 1.00 0.62 C ATOM 91 CG2 ILE A 99 4.561 -4.988 7.621 1.00 0.54 C ATOM 92 CD1 ILE A 99 2.555 -7.151 7.233 1.00 0.63 C ATOM 0 H ILE A 99 4.598 -5.352 3.656 1.00 0.49 H new ATOM 0 HA ILE A 99 2.501 -4.679 5.648 1.00 0.45 H new ATOM 0 HB ILE A 99 5.358 -5.650 5.762 1.00 0.52 H new ATOM 0 HG12 ILE A 99 3.499 -7.324 5.316 1.00 0.62 H new ATOM 0 HG13 ILE A 99 4.555 -7.677 6.669 1.00 0.62 H new ATOM 0 HG21 ILE A 99 5.158 -5.669 8.227 1.00 0.54 H new ATOM 0 HG22 ILE A 99 5.072 -4.028 7.544 1.00 0.54 H new ATOM 0 HG23 ILE A 99 3.587 -4.844 8.089 1.00 0.54 H new ATOM 0 HD11 ILE A 99 2.220 -8.188 7.224 1.00 0.63 H new ATOM 0 HD12 ILE A 99 2.824 -6.866 8.250 1.00 0.63 H new ATOM 0 HD13 ILE A 99 1.751 -6.507 6.876 1.00 0.63 H new ATOM 104 N ILE A 100 3.415 -2.418 6.212 1.00 0.38 N ATOM 105 CA ILE A 100 3.857 -1.081 6.613 1.00 0.41 C ATOM 106 C ILE A 100 3.928 -0.981 8.128 1.00 0.43 C ATOM 107 O ILE A 100 2.895 -0.864 8.796 1.00 0.55 O ATOM 108 CB ILE A 100 2.879 -0.024 6.063 1.00 0.43 C ATOM 109 CG1 ILE A 100 2.797 -0.103 4.523 1.00 0.44 C ATOM 110 CG2 ILE A 100 3.232 1.408 6.522 1.00 0.56 C ATOM 111 CD1 ILE A 100 4.142 0.138 3.831 1.00 0.50 C ATOM 0 H ILE A 100 2.549 -2.690 6.677 1.00 0.38 H new ATOM 0 HA ILE A 100 4.851 -0.900 6.204 1.00 0.41 H new ATOM 0 HB ILE A 100 1.898 -0.254 6.479 1.00 0.43 H new ATOM 0 HG12 ILE A 100 2.420 -1.085 4.236 1.00 0.44 H new ATOM 0 HG13 ILE A 100 2.076 0.633 4.166 1.00 0.44 H new ATOM 0 HG21 ILE A 100 2.511 2.112 6.106 1.00 0.56 H new ATOM 0 HG22 ILE A 100 3.202 1.459 7.610 1.00 0.56 H new ATOM 0 HG23 ILE A 100 4.232 1.665 6.174 1.00 0.56 H new ATOM 0 HD11 ILE A 100 4.013 0.068 2.751 1.00 0.50 H new ATOM 0 HD12 ILE A 100 4.511 1.131 4.089 1.00 0.50 H new ATOM 0 HD13 ILE A 100 4.860 -0.613 4.160 1.00 0.50 H new ATOM 123 N GLU A 101 5.158 -0.952 8.626 1.00 0.61 N ATOM 124 CA GLU A 101 5.470 -0.765 10.039 1.00 0.65 C ATOM 125 C GLU A 101 5.037 0.601 10.559 1.00 0.73 C ATOM 126 O GLU A 101 5.375 1.666 10.026 1.00 0.97 O ATOM 127 CB GLU A 101 6.947 -1.021 10.349 1.00 0.78 C ATOM 128 CG GLU A 101 7.204 -2.514 10.588 1.00 1.06 C ATOM 129 CD GLU A 101 7.252 -3.354 9.314 1.00 2.57 C ATOM 130 OE1 GLU A 101 7.321 -2.755 8.218 1.00 3.65 O ATOM 131 OE2 GLU A 101 7.158 -4.591 9.465 1.00 3.56 O ATOM 0 H GLU A 101 5.988 -1.061 8.044 1.00 0.61 H new ATOM 0 HA GLU A 101 4.886 -1.516 10.570 1.00 0.65 H new ATOM 0 HB2 GLU A 101 7.563 -0.670 9.521 1.00 0.78 H new ATOM 0 HB3 GLU A 101 7.242 -0.451 11.230 1.00 0.78 H new ATOM 0 HG2 GLU A 101 8.148 -2.628 11.120 1.00 1.06 H new ATOM 0 HG3 GLU A 101 6.422 -2.906 11.239 1.00 1.06 H new ATOM 138 N SER A 102 4.238 0.542 11.618 1.00 0.70 N ATOM 139 CA SER A 102 3.362 1.654 11.952 1.00 0.80 C ATOM 140 C SER A 102 3.654 2.322 13.295 1.00 1.21 C ATOM 141 O SER A 102 3.907 3.523 13.312 1.00 2.74 O ATOM 142 CB SER A 102 1.919 1.189 11.850 1.00 0.99 C ATOM 143 OG SER A 102 1.109 2.340 11.796 1.00 1.66 O ATOM 0 H SER A 102 4.180 -0.255 12.252 1.00 0.70 H new ATOM 0 HA SER A 102 3.557 2.444 11.226 1.00 0.80 H new ATOM 0 HB2 SER A 102 1.775 0.576 10.960 1.00 0.99 H new ATOM 0 HB3 SER A 102 1.653 0.572 12.708 1.00 0.99 H new ATOM 0 HG SER A 102 0.272 2.174 12.279 1.00 1.66 H new ATOM 149 N TYR A 103 3.612 1.578 14.409 1.00 0.86 N ATOM 150 CA TYR A 103 3.631 2.117 15.785 1.00 0.85 C ATOM 151 C TYR A 103 2.358 2.963 16.059 1.00 0.92 C ATOM 152 O TYR A 103 2.346 3.874 16.882 1.00 1.38 O ATOM 153 CB TYR A 103 4.959 2.838 16.063 1.00 1.06 C ATOM 154 CG TYR A 103 6.183 2.098 15.542 1.00 1.26 C ATOM 155 CD1 TYR A 103 6.494 0.813 16.020 1.00 1.81 C ATOM 156 CD2 TYR A 103 6.992 2.672 14.542 1.00 2.81 C ATOM 157 CE1 TYR A 103 7.631 0.132 15.576 1.00 1.92 C ATOM 158 CE2 TYR A 103 8.131 1.988 14.072 1.00 3.05 C ATOM 159 CZ TYR A 103 8.466 0.721 14.602 1.00 1.83 C ATOM 160 OH TYR A 103 9.579 0.073 14.169 1.00 2.16 O ATOM 0 H TYR A 103 3.563 0.560 14.383 1.00 0.86 H new ATOM 0 HA TYR A 103 3.591 1.301 16.506 1.00 0.85 H new ATOM 0 HB2 TYR A 103 4.925 3.829 15.610 1.00 1.06 H new ATOM 0 HB3 TYR A 103 5.064 2.983 17.138 1.00 1.06 H new ATOM 0 HD1 TYR A 103 5.843 0.344 16.743 1.00 1.81 H new ATOM 0 HD2 TYR A 103 6.739 3.639 14.134 1.00 2.81 H new ATOM 0 HE1 TYR A 103 7.870 -0.842 15.977 1.00 1.92 H new ATOM 0 HE2 TYR A 103 8.749 2.432 13.306 1.00 3.05 H new ATOM 0 HH TYR A 103 10.036 0.621 13.498 1.00 2.16 H new ATOM 170 N ASP A 104 1.292 2.645 15.316 1.00 0.84 N ATOM 171 CA ASP A 104 0.014 3.373 15.189 1.00 0.89 C ATOM 172 C ASP A 104 -1.008 2.467 14.479 1.00 1.04 C ATOM 173 O ASP A 104 -0.625 1.703 13.595 1.00 2.20 O ATOM 174 CB ASP A 104 0.177 4.640 14.319 1.00 1.11 C ATOM 175 CG ASP A 104 0.797 5.850 15.019 1.00 1.26 C ATOM 176 OD1 ASP A 104 0.192 6.317 16.006 1.00 2.07 O ATOM 177 OD2 ASP A 104 1.815 6.368 14.501 1.00 2.21 O ATOM 0 H ASP A 104 1.296 1.804 14.739 1.00 0.84 H new ATOM 0 HA ASP A 104 -0.314 3.653 16.190 1.00 0.89 H new ATOM 0 HB2 ASP A 104 0.792 4.388 13.455 1.00 1.11 H new ATOM 0 HB3 ASP A 104 -0.804 4.926 13.939 1.00 1.11 H new ATOM 182 N ASP A 105 -2.305 2.576 14.767 1.00 0.80 N ATOM 183 CA ASP A 105 -3.322 1.746 14.099 1.00 0.74 C ATOM 184 C ASP A 105 -3.648 2.223 12.667 1.00 0.70 C ATOM 185 O ASP A 105 -4.109 1.450 11.828 1.00 0.94 O ATOM 186 CB ASP A 105 -4.619 1.749 14.924 1.00 0.95 C ATOM 187 CG ASP A 105 -4.423 1.454 16.412 1.00 1.77 C ATOM 188 OD1 ASP A 105 -4.333 0.251 16.746 1.00 2.40 O ATOM 189 OD2 ASP A 105 -4.389 2.440 17.187 1.00 3.14 O ATOM 0 H ASP A 105 -2.681 3.228 15.456 1.00 0.80 H new ATOM 0 HA ASP A 105 -2.904 0.742 14.027 1.00 0.74 H new ATOM 0 HB2 ASP A 105 -5.099 2.722 14.819 1.00 0.95 H new ATOM 0 HB3 ASP A 105 -5.302 1.009 14.507 1.00 0.95 H new ATOM 194 N TYR A 106 -3.435 3.516 12.403 1.00 0.66 N ATOM 195 CA TYR A 106 -4.173 4.339 11.425 1.00 0.83 C ATOM 196 C TYR A 106 -3.285 5.322 10.636 1.00 1.06 C ATOM 197 O TYR A 106 -3.797 6.261 10.005 1.00 1.90 O ATOM 198 CB TYR A 106 -5.305 5.086 12.174 1.00 0.92 C ATOM 199 CG TYR A 106 -4.944 5.547 13.581 1.00 0.78 C ATOM 200 CD1 TYR A 106 -3.729 6.220 13.832 1.00 2.09 C ATOM 201 CD2 TYR A 106 -5.742 5.120 14.658 1.00 1.91 C ATOM 202 CE1 TYR A 106 -3.261 6.355 15.153 1.00 2.36 C ATOM 203 CE2 TYR A 106 -5.266 5.231 15.976 1.00 1.86 C ATOM 204 CZ TYR A 106 -4.006 5.816 16.223 1.00 1.28 C ATOM 205 OH TYR A 106 -3.485 5.791 17.477 1.00 1.76 O ATOM 0 H TYR A 106 -2.710 4.047 12.885 1.00 0.66 H new ATOM 0 HA TYR A 106 -4.584 3.670 10.669 1.00 0.83 H new ATOM 0 HB2 TYR A 106 -5.598 5.956 11.586 1.00 0.92 H new ATOM 0 HB3 TYR A 106 -6.175 4.433 12.233 1.00 0.92 H new ATOM 0 HD1 TYR A 106 -3.159 6.631 13.012 1.00 2.09 H new ATOM 0 HD2 TYR A 106 -6.722 4.706 14.472 1.00 1.91 H new ATOM 0 HE1 TYR A 106 -2.332 6.871 15.347 1.00 2.36 H new ATOM 0 HE2 TYR A 106 -5.864 4.869 16.799 1.00 1.86 H new ATOM 0 HH TYR A 106 -4.132 5.387 18.092 1.00 1.76 H new ATOM 215 N ARG A 107 -1.959 5.137 10.687 1.00 0.73 N ATOM 216 CA ARG A 107 -0.972 5.911 9.914 1.00 0.77 C ATOM 217 C ARG A 107 -1.175 5.775 8.394 1.00 0.78 C ATOM 218 O ARG A 107 -1.915 4.914 7.913 1.00 1.19 O ATOM 219 CB ARG A 107 0.455 5.475 10.309 1.00 0.91 C ATOM 220 CG ARG A 107 1.185 6.527 11.163 1.00 1.52 C ATOM 221 CD ARG A 107 2.620 6.090 11.494 1.00 1.66 C ATOM 222 NE ARG A 107 3.440 6.015 10.263 1.00 2.49 N ATOM 223 CZ ARG A 107 4.375 5.110 9.991 1.00 3.73 C ATOM 224 NH1 ARG A 107 4.936 4.362 10.913 1.00 4.18 N ATOM 225 NH2 ARG A 107 4.766 4.918 8.752 1.00 5.55 N ATOM 0 H ARG A 107 -1.530 4.428 11.281 1.00 0.73 H new ATOM 0 HA ARG A 107 -1.116 6.964 10.157 1.00 0.77 H new ATOM 0 HB2 ARG A 107 0.403 4.537 10.862 1.00 0.91 H new ATOM 0 HB3 ARG A 107 1.034 5.281 9.406 1.00 0.91 H new ATOM 0 HG2 ARG A 107 1.207 7.477 10.630 1.00 1.52 H new ATOM 0 HG3 ARG A 107 0.632 6.693 12.088 1.00 1.52 H new ATOM 0 HD2 ARG A 107 3.068 6.796 12.193 1.00 1.66 H new ATOM 0 HD3 ARG A 107 2.605 5.118 11.987 1.00 1.66 H new ATOM 0 HE ARG A 107 3.271 6.728 9.554 1.00 2.49 H new ATOM 0 HH11 ARG A 107 4.658 4.462 11.889 1.00 4.18 H new ATOM 0 HH12 ARG A 107 5.650 3.681 10.653 1.00 4.18 H new ATOM 0 HH21 ARG A 107 4.352 5.464 7.996 1.00 5.55 H new ATOM 0 HH22 ARG A 107 5.484 4.223 8.546 1.00 5.55 H new ATOM 239 N TYR A 108 -0.486 6.626 7.623 1.00 0.63 N ATOM 240 CA TYR A 108 -0.427 6.520 6.158 1.00 0.54 C ATOM 241 C TYR A 108 0.931 6.005 5.623 1.00 0.62 C ATOM 242 O TYR A 108 1.948 6.090 6.315 1.00 0.83 O ATOM 243 CB TYR A 108 -0.875 7.843 5.510 1.00 0.58 C ATOM 244 CG TYR A 108 0.242 8.836 5.293 1.00 0.70 C ATOM 245 CD1 TYR A 108 0.991 8.773 4.105 1.00 1.92 C ATOM 246 CD2 TYR A 108 0.566 9.776 6.288 1.00 2.09 C ATOM 247 CE1 TYR A 108 2.093 9.620 3.926 1.00 1.98 C ATOM 248 CE2 TYR A 108 1.652 10.652 6.095 1.00 2.27 C ATOM 249 CZ TYR A 108 2.423 10.572 4.912 1.00 1.22 C ATOM 250 OH TYR A 108 3.483 11.402 4.717 1.00 1.52 O ATOM 0 H TYR A 108 0.048 7.410 7.998 1.00 0.63 H new ATOM 0 HA TYR A 108 -1.134 5.746 5.860 1.00 0.54 H new ATOM 0 HB2 TYR A 108 -1.343 7.624 4.550 1.00 0.58 H new ATOM 0 HB3 TYR A 108 -1.637 8.303 6.139 1.00 0.58 H new ATOM 0 HD1 TYR A 108 0.717 8.072 3.330 1.00 1.92 H new ATOM 0 HD2 TYR A 108 -0.016 9.826 7.197 1.00 2.09 H new ATOM 0 HE1 TYR A 108 2.691 9.543 3.030 1.00 1.98 H new ATOM 0 HE2 TYR A 108 1.896 11.385 6.850 1.00 2.27 H new ATOM 0 HH TYR A 108 3.577 12.000 5.488 1.00 1.52 H new ATOM 260 N VAL A 109 0.922 5.486 4.390 1.00 0.56 N ATOM 261 CA VAL A 109 2.094 5.103 3.578 1.00 0.65 C ATOM 262 C VAL A 109 2.159 5.966 2.318 1.00 0.50 C ATOM 263 O VAL A 109 1.107 6.244 1.762 1.00 0.44 O ATOM 264 CB VAL A 109 2.016 3.615 3.155 1.00 0.82 C ATOM 265 CG1 VAL A 109 0.772 3.218 2.345 1.00 0.82 C ATOM 266 CG2 VAL A 109 3.261 3.212 2.359 1.00 1.04 C ATOM 0 H VAL A 109 0.046 5.310 3.898 1.00 0.56 H new ATOM 0 HA VAL A 109 2.985 5.255 4.187 1.00 0.65 H new ATOM 0 HB VAL A 109 1.950 3.078 4.101 1.00 0.82 H new ATOM 0 HG11 VAL A 109 0.820 2.156 2.102 1.00 0.82 H new ATOM 0 HG12 VAL A 109 -0.124 3.416 2.934 1.00 0.82 H new ATOM 0 HG13 VAL A 109 0.737 3.800 1.424 1.00 0.82 H new ATOM 0 HG21 VAL A 109 3.186 2.163 2.072 1.00 1.04 H new ATOM 0 HG22 VAL A 109 3.336 3.829 1.463 1.00 1.04 H new ATOM 0 HG23 VAL A 109 4.149 3.357 2.974 1.00 1.04 H new ATOM 276 N GLY A 110 3.354 6.323 1.836 1.00 0.66 N ATOM 277 CA GLY A 110 3.561 6.868 0.489 1.00 0.73 C ATOM 278 C GLY A 110 4.284 5.876 -0.426 1.00 0.69 C ATOM 279 O GLY A 110 5.508 5.786 -0.356 1.00 0.98 O ATOM 0 H GLY A 110 4.215 6.241 2.376 1.00 0.66 H new ATOM 0 HA2 GLY A 110 2.597 7.129 0.051 1.00 0.73 H new ATOM 0 HA3 GLY A 110 4.141 7.789 0.556 1.00 0.73 H new ATOM 283 N CYS A 111 3.558 5.176 -1.305 1.00 0.49 N ATOM 284 CA CYS A 111 4.107 4.334 -2.364 1.00 0.50 C ATOM 285 C CYS A 111 4.409 5.129 -3.661 1.00 0.46 C ATOM 286 O CYS A 111 3.582 5.926 -4.128 1.00 0.48 O ATOM 287 CB CYS A 111 3.085 3.212 -2.617 1.00 0.70 C ATOM 288 SG CYS A 111 3.231 2.384 -4.236 1.00 1.13 S ATOM 0 H CYS A 111 2.538 5.183 -1.295 1.00 0.49 H new ATOM 0 HA CYS A 111 5.068 3.925 -2.051 1.00 0.50 H new ATOM 0 HB2 CYS A 111 3.189 2.463 -1.832 1.00 0.70 H new ATOM 0 HB3 CYS A 111 2.082 3.629 -2.528 1.00 0.70 H new ATOM 293 N THR A 112 5.556 4.830 -4.290 1.00 0.53 N ATOM 294 CA THR A 112 5.910 5.330 -5.635 1.00 0.56 C ATOM 295 C THR A 112 5.888 4.254 -6.728 1.00 0.55 C ATOM 296 O THR A 112 6.531 4.378 -7.768 1.00 0.64 O ATOM 297 CB THR A 112 7.228 6.106 -5.665 1.00 0.70 C ATOM 298 OG1 THR A 112 8.268 5.379 -5.045 1.00 0.83 O ATOM 299 CG2 THR A 112 7.066 7.437 -4.948 1.00 0.77 C ATOM 0 H THR A 112 6.272 4.230 -3.880 1.00 0.53 H new ATOM 0 HA THR A 112 5.109 6.032 -5.869 1.00 0.56 H new ATOM 0 HB THR A 112 7.488 6.271 -6.711 1.00 0.70 H new ATOM 0 HG1 THR A 112 9.098 5.899 -5.081 1.00 0.83 H new ATOM 0 HG21 THR A 112 8.010 7.982 -4.975 1.00 0.77 H new ATOM 0 HG22 THR A 112 6.293 8.025 -5.443 1.00 0.77 H new ATOM 0 HG23 THR A 112 6.779 7.259 -3.912 1.00 0.77 H new ATOM 307 N GLY A 113 5.157 3.166 -6.505 1.00 0.58 N ATOM 308 CA GLY A 113 5.119 2.017 -7.408 1.00 0.63 C ATOM 309 C GLY A 113 5.998 0.897 -6.890 1.00 0.92 C ATOM 310 O GLY A 113 6.906 0.451 -7.587 1.00 1.90 O ATOM 0 H GLY A 113 4.566 3.055 -5.681 1.00 0.58 H new ATOM 0 HA2 GLY A 113 4.093 1.663 -7.510 1.00 0.63 H new ATOM 0 HA3 GLY A 113 5.453 2.318 -8.401 1.00 0.63 H new ATOM 314 N SER A 114 5.749 0.459 -5.653 1.00 1.40 N ATOM 315 CA SER A 114 6.608 -0.526 -4.973 1.00 1.88 C ATOM 316 C SER A 114 8.033 0.066 -4.706 1.00 1.69 C ATOM 317 O SER A 114 8.181 1.283 -4.825 1.00 1.73 O ATOM 318 CB SER A 114 6.543 -1.831 -5.796 1.00 2.51 C ATOM 319 OG SER A 114 6.466 -2.975 -4.966 1.00 3.99 O ATOM 0 H SER A 114 4.954 0.771 -5.095 1.00 1.40 H new ATOM 0 HA SER A 114 6.261 -0.771 -3.969 1.00 1.88 H new ATOM 0 HB2 SER A 114 5.675 -1.802 -6.455 1.00 2.51 H new ATOM 0 HB3 SER A 114 7.425 -1.903 -6.433 1.00 2.51 H new ATOM 0 HG SER A 114 6.425 -3.781 -5.522 1.00 3.99 H new ATOM 325 N PRO A 115 9.092 -0.682 -4.312 1.00 1.80 N ATOM 326 CA PRO A 115 10.354 -0.069 -3.862 1.00 1.90 C ATOM 327 C PRO A 115 11.267 0.439 -4.993 1.00 1.73 C ATOM 328 O PRO A 115 12.405 0.820 -4.730 1.00 2.16 O ATOM 329 CB PRO A 115 11.056 -1.161 -3.049 1.00 2.40 C ATOM 330 CG PRO A 115 10.602 -2.447 -3.724 1.00 2.47 C ATOM 331 CD PRO A 115 9.168 -2.127 -4.128 1.00 2.12 C ATOM 0 HA PRO A 115 10.135 0.831 -3.288 1.00 1.90 H new ATOM 0 HB2 PRO A 115 12.140 -1.051 -3.080 1.00 2.40 H new ATOM 0 HB3 PRO A 115 10.763 -1.132 -2.000 1.00 2.40 H new ATOM 0 HG2 PRO A 115 11.221 -2.691 -4.588 1.00 2.47 H new ATOM 0 HG3 PRO A 115 10.651 -3.299 -3.046 1.00 2.47 H new ATOM 0 HD2 PRO A 115 8.900 -2.648 -5.047 1.00 2.12 H new ATOM 0 HD3 PRO A 115 8.468 -2.456 -3.360 1.00 2.12 H new ATOM 339 N ALA A 116 10.806 0.403 -6.245 1.00 1.53 N ATOM 340 CA ALA A 116 11.632 0.588 -7.438 1.00 1.69 C ATOM 341 C ALA A 116 11.246 1.805 -8.302 1.00 1.50 C ATOM 342 O ALA A 116 11.695 1.894 -9.439 1.00 2.02 O ATOM 343 CB ALA A 116 11.589 -0.731 -8.217 1.00 2.16 C ATOM 0 H ALA A 116 9.823 0.240 -6.462 1.00 1.53 H new ATOM 0 HA ALA A 116 12.651 0.827 -7.132 1.00 1.69 H new ATOM 0 HB1 ALA A 116 12.194 -0.641 -9.119 1.00 2.16 H new ATOM 0 HB2 ALA A 116 11.984 -1.534 -7.595 1.00 2.16 H new ATOM 0 HB3 ALA A 116 10.559 -0.958 -8.492 1.00 2.16 H new ATOM 349 N GLY A 117 10.412 2.723 -7.791 1.00 1.12 N ATOM 350 CA GLY A 117 10.147 4.026 -8.425 1.00 1.08 C ATOM 351 C GLY A 117 9.458 3.899 -9.782 1.00 1.09 C ATOM 352 O GLY A 117 10.026 4.271 -10.803 1.00 1.69 O ATOM 0 H GLY A 117 9.899 2.583 -6.921 1.00 1.12 H new ATOM 0 HA2 GLY A 117 9.524 4.627 -7.762 1.00 1.08 H new ATOM 0 HA3 GLY A 117 11.088 4.561 -8.550 1.00 1.08 H new ATOM 356 N SER A 118 8.261 3.322 -9.800 1.00 0.74 N ATOM 357 CA SER A 118 7.584 2.936 -11.048 1.00 0.78 C ATOM 358 C SER A 118 6.504 3.914 -11.520 1.00 0.75 C ATOM 359 O SER A 118 6.268 3.988 -12.719 1.00 0.95 O ATOM 360 CB SER A 118 6.995 1.532 -10.894 1.00 0.85 C ATOM 361 OG SER A 118 8.027 0.560 -10.880 1.00 1.60 O ATOM 0 H SER A 118 7.729 3.106 -8.957 1.00 0.74 H new ATOM 0 HA SER A 118 8.348 2.956 -11.825 1.00 0.78 H new ATOM 0 HB2 SER A 118 6.418 1.472 -9.971 1.00 0.85 H new ATOM 0 HB3 SER A 118 6.306 1.328 -11.714 1.00 0.85 H new ATOM 0 HG SER A 118 7.635 -0.332 -10.779 1.00 1.60 H new ATOM 367 N HIS A 119 5.873 4.682 -10.629 1.00 0.62 N ATOM 368 CA HIS A 119 5.000 5.812 -10.990 1.00 0.63 C ATOM 369 C HIS A 119 5.356 7.076 -10.169 1.00 0.75 C ATOM 370 O HIS A 119 6.476 7.204 -9.674 1.00 1.58 O ATOM 371 CB HIS A 119 3.528 5.353 -10.912 1.00 0.60 C ATOM 372 CG HIS A 119 3.018 5.095 -9.516 1.00 0.52 C ATOM 373 ND1 HIS A 119 2.589 6.034 -8.646 1.00 0.61 N ATOM 374 CD2 HIS A 119 2.859 3.876 -8.939 1.00 0.48 C ATOM 375 CE1 HIS A 119 2.313 5.459 -7.478 1.00 0.53 C ATOM 376 NE2 HIS A 119 2.412 4.130 -7.633 1.00 0.46 N ATOM 0 H HIS A 119 5.952 4.538 -9.622 1.00 0.62 H new ATOM 0 HA HIS A 119 5.164 6.122 -12.022 1.00 0.63 H new ATOM 0 HB2 HIS A 119 2.900 6.112 -11.378 1.00 0.60 H new ATOM 0 HB3 HIS A 119 3.415 4.442 -11.499 1.00 0.60 H new ATOM 0 HD1 HIS A 119 2.492 7.028 -8.852 1.00 0.61 H new ATOM 0 HD2 HIS A 119 3.039 2.912 -9.391 1.00 0.48 H new ATOM 0 HE1 HIS A 119 2.054 5.973 -6.564 1.00 0.53 H new ATOM 384 N THR A 120 4.427 8.035 -10.038 1.00 0.63 N ATOM 385 CA THR A 120 4.541 9.184 -9.108 1.00 0.63 C ATOM 386 C THR A 120 4.276 8.751 -7.656 1.00 0.69 C ATOM 387 O THR A 120 4.495 7.602 -7.324 1.00 0.75 O ATOM 388 CB THR A 120 3.623 10.300 -9.600 1.00 0.76 C ATOM 389 OG1 THR A 120 3.941 11.492 -8.926 1.00 0.78 O ATOM 390 CG2 THR A 120 2.170 9.940 -9.331 1.00 0.85 C ATOM 0 H THR A 120 3.562 8.040 -10.579 1.00 0.63 H new ATOM 0 HA THR A 120 5.559 9.573 -9.101 1.00 0.63 H new ATOM 0 HB THR A 120 3.763 10.431 -10.673 1.00 0.76 H new ATOM 0 HG1 THR A 120 3.355 12.212 -9.240 1.00 0.78 H new ATOM 0 HG21 THR A 120 1.524 10.743 -9.686 1.00 0.85 H new ATOM 0 HG22 THR A 120 1.921 9.017 -9.854 1.00 0.85 H new ATOM 0 HG23 THR A 120 2.022 9.802 -8.260 1.00 0.85 H new ATOM 398 N ILE A 121 3.804 9.633 -6.777 1.00 0.81 N ATOM 399 CA ILE A 121 3.532 9.363 -5.354 1.00 0.83 C ATOM 400 C ILE A 121 2.060 9.386 -4.887 1.00 0.79 C ATOM 401 O ILE A 121 1.295 10.318 -5.135 1.00 0.97 O ATOM 402 CB ILE A 121 4.444 10.271 -4.512 1.00 0.89 C ATOM 403 CG1 ILE A 121 4.231 10.026 -3.022 1.00 0.93 C ATOM 404 CG2 ILE A 121 4.166 11.747 -4.770 1.00 0.98 C ATOM 405 CD1 ILE A 121 4.907 8.775 -2.527 1.00 0.97 C ATOM 0 H ILE A 121 3.590 10.595 -7.040 1.00 0.81 H new ATOM 0 HA ILE A 121 3.766 8.310 -5.199 1.00 0.83 H new ATOM 0 HB ILE A 121 5.466 10.028 -4.803 1.00 0.89 H new ATOM 0 HG12 ILE A 121 4.608 10.882 -2.462 1.00 0.93 H new ATOM 0 HG13 ILE A 121 3.162 9.958 -2.820 1.00 0.93 H new ATOM 0 HG21 ILE A 121 4.831 12.355 -4.156 1.00 0.98 H new ATOM 0 HG22 ILE A 121 4.338 11.971 -5.823 1.00 0.98 H new ATOM 0 HG23 ILE A 121 3.130 11.972 -4.516 1.00 0.98 H new ATOM 0 HD11 ILE A 121 4.718 8.657 -1.460 1.00 0.97 H new ATOM 0 HD12 ILE A 121 4.513 7.912 -3.063 1.00 0.97 H new ATOM 0 HD13 ILE A 121 5.981 8.849 -2.699 1.00 0.97 H new ATOM 417 N MET A 122 1.718 8.314 -4.153 1.00 0.67 N ATOM 418 CA MET A 122 0.395 7.888 -3.726 1.00 0.88 C ATOM 419 C MET A 122 0.294 7.517 -2.243 1.00 0.91 C ATOM 420 O MET A 122 1.033 6.670 -1.749 1.00 1.26 O ATOM 421 CB MET A 122 0.078 6.663 -4.601 1.00 1.09 C ATOM 422 CG MET A 122 -0.405 7.184 -5.945 1.00 1.32 C ATOM 423 SD MET A 122 0.648 8.018 -7.142 1.00 3.73 S ATOM 424 CE MET A 122 -0.481 9.330 -7.667 1.00 5.19 C ATOM 0 H MET A 122 2.435 7.671 -3.818 1.00 0.67 H new ATOM 0 HA MET A 122 -0.310 8.711 -3.843 1.00 0.88 H new ATOM 0 HB2 MET A 122 0.963 6.040 -4.726 1.00 1.09 H new ATOM 0 HB3 MET A 122 -0.685 6.042 -4.132 1.00 1.09 H new ATOM 0 HG2 MET A 122 -0.837 6.329 -6.465 1.00 1.32 H new ATOM 0 HG3 MET A 122 -1.222 7.872 -5.728 1.00 1.32 H new ATOM 0 HE1 MET A 122 -0.650 9.256 -8.741 1.00 5.19 H new ATOM 0 HE2 MET A 122 -1.431 9.225 -7.142 1.00 5.19 H new ATOM 0 HE3 MET A 122 -0.044 10.301 -7.434 1.00 5.19 H new ATOM 434 N TRP A 123 -0.664 8.137 -1.543 1.00 0.63 N ATOM 435 CA TRP A 123 -0.760 8.121 -0.079 1.00 0.55 C ATOM 436 C TRP A 123 -1.918 7.224 0.402 1.00 0.55 C ATOM 437 O TRP A 123 -3.081 7.544 0.147 1.00 0.77 O ATOM 438 CB TRP A 123 -0.903 9.561 0.455 1.00 0.68 C ATOM 439 CG TRP A 123 -0.379 10.668 -0.414 1.00 1.08 C ATOM 440 CD1 TRP A 123 -1.109 11.362 -1.317 1.00 1.73 C ATOM 441 CD2 TRP A 123 0.972 11.222 -0.485 1.00 1.22 C ATOM 442 NE1 TRP A 123 -0.305 12.289 -1.952 1.00 2.04 N ATOM 443 CE2 TRP A 123 0.982 12.264 -1.461 1.00 1.70 C ATOM 444 CE3 TRP A 123 2.188 10.957 0.179 1.00 1.50 C ATOM 445 CZ2 TRP A 123 2.129 13.020 -1.746 1.00 2.00 C ATOM 446 CZ3 TRP A 123 3.343 11.719 -0.086 1.00 1.95 C ATOM 447 CH2 TRP A 123 3.314 12.753 -1.039 1.00 2.04 C ATOM 0 H TRP A 123 -1.408 8.674 -1.988 1.00 0.63 H new ATOM 0 HA TRP A 123 0.159 7.693 0.322 1.00 0.55 H new ATOM 0 HB2 TRP A 123 -1.960 9.749 0.642 1.00 0.68 H new ATOM 0 HB3 TRP A 123 -0.394 9.617 1.417 1.00 0.68 H new ATOM 0 HD1 TRP A 123 -2.161 11.214 -1.512 1.00 1.73 H new ATOM 0 HE1 TRP A 123 -0.624 12.914 -2.692 1.00 2.04 H new ATOM 0 HE3 TRP A 123 2.234 10.157 0.903 1.00 1.50 H new ATOM 0 HZ2 TRP A 123 2.102 13.795 -2.497 1.00 2.00 H new ATOM 0 HZ3 TRP A 123 4.258 11.507 0.447 1.00 1.95 H new ATOM 0 HH2 TRP A 123 4.200 13.341 -1.227 1.00 2.04 H new ATOM 458 N LEU A 124 -1.633 6.111 1.096 1.00 0.49 N ATOM 459 CA LEU A 124 -2.639 5.096 1.457 1.00 0.62 C ATOM 460 C LEU A 124 -2.738 4.928 2.982 1.00 0.62 C ATOM 461 O LEU A 124 -1.786 5.220 3.706 1.00 0.61 O ATOM 462 CB LEU A 124 -2.331 3.746 0.759 1.00 0.71 C ATOM 463 CG LEU A 124 -1.625 3.802 -0.618 1.00 0.69 C ATOM 464 CD1 LEU A 124 -1.211 2.398 -1.060 1.00 0.79 C ATOM 465 CD2 LEU A 124 -2.518 4.425 -1.695 1.00 0.73 C ATOM 0 H LEU A 124 -0.694 5.887 1.425 1.00 0.49 H new ATOM 0 HA LEU A 124 -3.610 5.442 1.104 1.00 0.62 H new ATOM 0 HB2 LEU A 124 -1.712 3.152 1.431 1.00 0.71 H new ATOM 0 HB3 LEU A 124 -3.271 3.209 0.634 1.00 0.71 H new ATOM 0 HG LEU A 124 -0.743 4.431 -0.500 1.00 0.69 H new ATOM 0 HD11 LEU A 124 -0.716 2.453 -2.030 1.00 0.79 H new ATOM 0 HD12 LEU A 124 -0.526 1.973 -0.326 1.00 0.79 H new ATOM 0 HD13 LEU A 124 -2.095 1.766 -1.140 1.00 0.79 H new ATOM 0 HD21 LEU A 124 -1.983 4.444 -2.645 1.00 0.73 H new ATOM 0 HD22 LEU A 124 -3.426 3.832 -1.802 1.00 0.73 H new ATOM 0 HD23 LEU A 124 -2.781 5.443 -1.406 1.00 0.73 H new ATOM 477 N LYS A 125 -3.875 4.419 3.475 1.00 0.70 N ATOM 478 CA LYS A 125 -4.100 4.046 4.884 1.00 0.79 C ATOM 479 C LYS A 125 -4.408 2.534 5.024 1.00 0.82 C ATOM 480 O LYS A 125 -5.564 2.137 4.910 1.00 1.01 O ATOM 481 CB LYS A 125 -5.242 4.884 5.490 1.00 1.09 C ATOM 482 CG LYS A 125 -4.777 6.267 5.973 1.00 2.04 C ATOM 483 CD LYS A 125 -5.696 6.751 7.102 1.00 2.90 C ATOM 484 CE LYS A 125 -5.156 8.037 7.736 1.00 4.71 C ATOM 485 NZ LYS A 125 -5.670 8.197 9.117 1.00 5.71 N ATOM 0 H LYS A 125 -4.692 4.249 2.888 1.00 0.70 H new ATOM 0 HA LYS A 125 -3.182 4.255 5.434 1.00 0.79 H new ATOM 0 HB2 LYS A 125 -6.028 5.010 4.746 1.00 1.09 H new ATOM 0 HB3 LYS A 125 -5.680 4.341 6.327 1.00 1.09 H new ATOM 0 HG2 LYS A 125 -3.747 6.213 6.326 1.00 2.04 H new ATOM 0 HG3 LYS A 125 -4.794 6.977 5.146 1.00 2.04 H new ATOM 0 HD2 LYS A 125 -6.698 6.927 6.710 1.00 2.90 H new ATOM 0 HD3 LYS A 125 -5.783 5.975 7.863 1.00 2.90 H new ATOM 0 HE2 LYS A 125 -4.066 8.012 7.749 1.00 4.71 H new ATOM 0 HE3 LYS A 125 -5.448 8.896 7.132 1.00 4.71 H new ATOM 0 HZ1 LYS A 125 -5.556 9.186 9.418 1.00 5.71 H new ATOM 0 HZ2 LYS A 125 -6.678 7.941 9.144 1.00 5.71 H new ATOM 0 HZ3 LYS A 125 -5.138 7.576 9.760 1.00 5.71 H new ATOM 499 N PRO A 126 -3.395 1.686 5.267 1.00 0.80 N ATOM 500 CA PRO A 126 -3.524 0.226 5.248 1.00 1.23 C ATOM 501 C PRO A 126 -3.937 -0.396 6.602 1.00 1.73 C ATOM 502 O PRO A 126 -3.516 -1.514 6.867 1.00 3.46 O ATOM 503 CB PRO A 126 -2.141 -0.227 4.754 1.00 1.34 C ATOM 504 CG PRO A 126 -1.210 0.766 5.437 1.00 0.95 C ATOM 505 CD PRO A 126 -1.985 2.066 5.304 1.00 0.69 C ATOM 0 HA PRO A 126 -4.338 -0.112 4.607 1.00 1.23 H new ATOM 0 HB2 PRO A 126 -1.922 -1.255 5.044 1.00 1.34 H new ATOM 0 HB3 PRO A 126 -2.061 -0.178 3.668 1.00 1.34 H new ATOM 0 HG2 PRO A 126 -1.028 0.504 6.479 1.00 0.95 H new ATOM 0 HG3 PRO A 126 -0.238 0.818 4.947 1.00 0.95 H new ATOM 0 HD2 PRO A 126 -1.781 2.731 6.143 1.00 0.69 H new ATOM 0 HD3 PRO A 126 -1.700 2.600 4.398 1.00 0.69 H new ATOM 513 N THR A 127 -4.712 0.335 7.430 1.00 0.78 N ATOM 514 CA THR A 127 -5.036 0.252 8.887 1.00 0.76 C ATOM 515 C THR A 127 -4.880 -1.106 9.579 1.00 0.54 C ATOM 516 O THR A 127 -5.041 -2.156 8.977 1.00 0.47 O ATOM 517 CB THR A 127 -6.491 0.718 9.100 1.00 0.88 C ATOM 518 OG1 THR A 127 -6.816 1.758 8.208 1.00 1.17 O ATOM 519 CG2 THR A 127 -6.897 1.219 10.484 1.00 0.99 C ATOM 0 H THR A 127 -5.210 1.131 7.031 1.00 0.78 H new ATOM 0 HA THR A 127 -4.283 0.889 9.351 1.00 0.76 H new ATOM 0 HB THR A 127 -7.034 -0.213 8.936 1.00 0.88 H new ATOM 0 HG1 THR A 127 -7.675 1.564 7.778 1.00 1.17 H new ATOM 0 HG21 THR A 127 -7.948 1.509 10.472 1.00 0.99 H new ATOM 0 HG22 THR A 127 -6.748 0.426 11.216 1.00 0.99 H new ATOM 0 HG23 THR A 127 -6.286 2.080 10.753 1.00 0.99 H new ATOM 527 N VAL A 128 -4.660 -1.117 10.896 1.00 0.56 N ATOM 528 CA VAL A 128 -4.514 -2.358 11.688 1.00 0.54 C ATOM 529 C VAL A 128 -5.660 -3.371 11.469 1.00 0.60 C ATOM 530 O VAL A 128 -5.423 -4.580 11.442 1.00 0.71 O ATOM 531 CB VAL A 128 -4.331 -2.036 13.185 1.00 0.76 C ATOM 532 CG1 VAL A 128 -5.660 -1.623 13.817 1.00 0.83 C ATOM 533 CG2 VAL A 128 -3.682 -3.208 13.938 1.00 0.85 C ATOM 0 H VAL A 128 -4.577 -0.266 11.453 1.00 0.56 H new ATOM 0 HA VAL A 128 -3.612 -2.848 11.321 1.00 0.54 H new ATOM 0 HB VAL A 128 -3.648 -1.190 13.266 1.00 0.76 H new ATOM 0 HG11 VAL A 128 -5.507 -1.401 14.873 1.00 0.83 H new ATOM 0 HG12 VAL A 128 -6.044 -0.737 13.311 1.00 0.83 H new ATOM 0 HG13 VAL A 128 -6.378 -2.437 13.718 1.00 0.83 H new ATOM 0 HG21 VAL A 128 -3.568 -2.946 14.990 1.00 0.85 H new ATOM 0 HG22 VAL A 128 -4.314 -4.092 13.850 1.00 0.85 H new ATOM 0 HG23 VAL A 128 -2.703 -3.419 13.509 1.00 0.85 H new ATOM 543 N ASN A 129 -6.883 -2.872 11.243 1.00 0.74 N ATOM 544 CA ASN A 129 -8.101 -3.646 10.977 1.00 0.92 C ATOM 545 C ASN A 129 -8.351 -3.929 9.488 1.00 0.89 C ATOM 546 O ASN A 129 -9.292 -4.642 9.152 1.00 1.10 O ATOM 547 CB ASN A 129 -9.290 -2.902 11.608 1.00 1.15 C ATOM 548 CG ASN A 129 -9.125 -2.774 13.116 1.00 1.39 C ATOM 549 OD1 ASN A 129 -9.006 -3.761 13.826 1.00 1.44 O ATOM 550 ND2 ASN A 129 -9.061 -1.564 13.642 1.00 1.87 N ATOM 0 H ASN A 129 -7.057 -1.867 11.241 1.00 0.74 H new ATOM 0 HA ASN A 129 -7.975 -4.631 11.427 1.00 0.92 H new ATOM 0 HB2 ASN A 129 -9.378 -1.910 11.164 1.00 1.15 H new ATOM 0 HB3 ASN A 129 -10.215 -3.434 11.385 1.00 1.15 H new ATOM 0 HD21 ASN A 129 -8.912 -1.451 14.645 1.00 1.87 H new ATOM 0 HD22 ASN A 129 -9.161 -0.743 13.045 1.00 1.87 H new ATOM 557 N GLU A 130 -7.538 -3.360 8.596 1.00 0.68 N ATOM 558 CA GLU A 130 -7.879 -3.168 7.195 1.00 0.63 C ATOM 559 C GLU A 130 -6.693 -3.499 6.302 1.00 0.43 C ATOM 560 O GLU A 130 -5.776 -4.209 6.691 1.00 0.64 O ATOM 561 CB GLU A 130 -8.326 -1.712 6.971 1.00 0.86 C ATOM 562 CG GLU A 130 -9.383 -1.307 7.983 1.00 0.92 C ATOM 563 CD GLU A 130 -9.971 0.044 7.597 1.00 1.41 C ATOM 564 OE1 GLU A 130 -9.275 1.055 7.866 1.00 2.27 O ATOM 565 OE2 GLU A 130 -11.070 0.051 7.011 1.00 1.96 O ATOM 0 H GLU A 130 -6.609 -3.015 8.837 1.00 0.68 H new ATOM 0 HA GLU A 130 -8.696 -3.841 6.935 1.00 0.63 H new ATOM 0 HB2 GLU A 130 -7.466 -1.047 7.052 1.00 0.86 H new ATOM 0 HB3 GLU A 130 -8.722 -1.600 5.962 1.00 0.86 H new ATOM 0 HG2 GLU A 130 -10.170 -2.060 8.022 1.00 0.92 H new ATOM 0 HG3 GLU A 130 -8.945 -1.253 8.979 1.00 0.92 H new ATOM 572 N VAL A 131 -6.755 -2.987 5.084 1.00 0.41 N ATOM 573 CA VAL A 131 -5.871 -3.124 3.947 1.00 0.41 C ATOM 574 C VAL A 131 -6.118 -1.895 3.059 1.00 0.51 C ATOM 575 O VAL A 131 -7.185 -1.283 3.153 1.00 0.60 O ATOM 576 CB VAL A 131 -6.177 -4.400 3.154 1.00 0.38 C ATOM 577 CG1 VAL A 131 -5.883 -5.664 3.928 1.00 0.39 C ATOM 578 CG2 VAL A 131 -7.609 -4.445 2.605 1.00 0.45 C ATOM 0 H VAL A 131 -7.539 -2.381 4.842 1.00 0.41 H new ATOM 0 HA VAL A 131 -4.834 -3.191 4.277 1.00 0.41 H new ATOM 0 HB VAL A 131 -5.495 -4.358 2.305 1.00 0.38 H new ATOM 0 HG11 VAL A 131 -6.120 -6.531 3.312 1.00 0.39 H new ATOM 0 HG12 VAL A 131 -4.827 -5.688 4.197 1.00 0.39 H new ATOM 0 HG13 VAL A 131 -6.489 -5.685 4.834 1.00 0.39 H new ATOM 0 HG21 VAL A 131 -7.759 -5.374 2.055 1.00 0.45 H new ATOM 0 HG22 VAL A 131 -8.317 -4.395 3.432 1.00 0.45 H new ATOM 0 HG23 VAL A 131 -7.770 -3.598 1.938 1.00 0.45 H new ATOM 588 N ALA A 132 -5.192 -1.549 2.168 1.00 0.54 N ATOM 589 CA ALA A 132 -5.406 -0.471 1.203 1.00 0.59 C ATOM 590 C ALA A 132 -4.753 -0.796 -0.137 1.00 0.59 C ATOM 591 O ALA A 132 -3.589 -1.180 -0.164 1.00 0.56 O ATOM 592 CB ALA A 132 -4.869 0.837 1.783 1.00 0.64 C ATOM 0 H ALA A 132 -4.281 -2.002 2.094 1.00 0.54 H new ATOM 0 HA ALA A 132 -6.475 -0.362 1.017 1.00 0.59 H new ATOM 0 HB1 ALA A 132 -5.026 1.644 1.067 1.00 0.64 H new ATOM 0 HB2 ALA A 132 -5.394 1.067 2.710 1.00 0.64 H new ATOM 0 HB3 ALA A 132 -3.803 0.734 1.986 1.00 0.64 H new ATOM 598 N ARG A 133 -5.490 -0.612 -1.236 1.00 0.68 N ATOM 599 CA ARG A 133 -4.946 -0.681 -2.593 1.00 0.62 C ATOM 600 C ARG A 133 -4.490 0.708 -3.019 1.00 0.55 C ATOM 601 O ARG A 133 -5.288 1.644 -2.952 1.00 0.61 O ATOM 602 CB ARG A 133 -5.990 -1.209 -3.597 1.00 0.66 C ATOM 603 CG ARG A 133 -5.309 -1.781 -4.856 1.00 0.72 C ATOM 604 CD ARG A 133 -6.088 -1.545 -6.163 1.00 1.11 C ATOM 605 NE ARG A 133 -7.444 -2.132 -6.173 1.00 1.48 N ATOM 606 CZ ARG A 133 -8.296 -2.064 -7.199 1.00 2.44 C ATOM 607 NH1 ARG A 133 -7.959 -1.554 -8.368 1.00 3.23 N ATOM 608 NH2 ARG A 133 -9.529 -2.513 -7.067 1.00 3.51 N ATOM 0 H ARG A 133 -6.489 -0.409 -1.207 1.00 0.68 H new ATOM 0 HA ARG A 133 -4.104 -1.374 -2.589 1.00 0.62 H new ATOM 0 HB2 ARG A 133 -6.595 -1.982 -3.124 1.00 0.66 H new ATOM 0 HB3 ARG A 133 -6.667 -0.403 -3.880 1.00 0.66 H new ATOM 0 HG2 ARG A 133 -4.318 -1.336 -4.952 1.00 0.72 H new ATOM 0 HG3 ARG A 133 -5.165 -2.853 -4.721 1.00 0.72 H new ATOM 0 HD2 ARG A 133 -6.167 -0.472 -6.337 1.00 1.11 H new ATOM 0 HD3 ARG A 133 -5.518 -1.961 -6.993 1.00 1.11 H new ATOM 0 HE ARG A 133 -7.752 -2.625 -5.335 1.00 1.48 H new ATOM 0 HH11 ARG A 133 -7.016 -1.192 -8.514 1.00 3.23 H new ATOM 0 HH12 ARG A 133 -8.641 -1.521 -9.126 1.00 3.23 H new ATOM 0 HH21 ARG A 133 -9.834 -2.913 -6.180 1.00 3.51 H new ATOM 0 HH22 ARG A 133 -10.178 -2.460 -7.852 1.00 3.51 H new ATOM 622 N CYS A 134 -3.261 0.814 -3.515 1.00 0.55 N ATOM 623 CA CYS A 134 -2.891 1.894 -4.408 1.00 0.52 C ATOM 624 C CYS A 134 -3.837 1.932 -5.623 1.00 0.71 C ATOM 625 O CYS A 134 -4.230 0.897 -6.168 1.00 1.27 O ATOM 626 CB CYS A 134 -1.439 1.656 -4.806 1.00 0.53 C ATOM 627 SG CYS A 134 -0.641 3.014 -5.719 1.00 0.60 S ATOM 0 H CYS A 134 -2.506 0.160 -3.309 1.00 0.55 H new ATOM 0 HA CYS A 134 -2.983 2.867 -3.926 1.00 0.52 H new ATOM 0 HB2 CYS A 134 -0.861 1.460 -3.903 1.00 0.53 H new ATOM 0 HB3 CYS A 134 -1.391 0.754 -5.417 1.00 0.53 H new ATOM 632 N TRP A 135 -4.200 3.133 -6.062 1.00 0.62 N ATOM 633 CA TRP A 135 -4.943 3.312 -7.305 1.00 0.76 C ATOM 634 C TRP A 135 -4.033 3.276 -8.547 1.00 0.82 C ATOM 635 O TRP A 135 -4.551 3.134 -9.649 1.00 1.01 O ATOM 636 CB TRP A 135 -5.752 4.611 -7.211 1.00 0.81 C ATOM 637 CG TRP A 135 -4.974 5.887 -7.300 1.00 0.79 C ATOM 638 CD1 TRP A 135 -4.424 6.572 -6.270 1.00 0.76 C ATOM 639 CD2 TRP A 135 -4.612 6.621 -8.511 1.00 0.94 C ATOM 640 NE1 TRP A 135 -3.856 7.737 -6.758 1.00 0.89 N ATOM 641 CE2 TRP A 135 -3.927 7.812 -8.136 1.00 0.99 C ATOM 642 CE3 TRP A 135 -4.752 6.370 -9.893 1.00 1.10 C ATOM 643 CZ2 TRP A 135 -3.454 8.734 -9.088 1.00 1.20 C ATOM 644 CZ3 TRP A 135 -4.177 7.225 -10.849 1.00 1.26 C ATOM 645 CH2 TRP A 135 -3.543 8.416 -10.454 1.00 1.31 C ATOM 0 H TRP A 135 -3.990 4.002 -5.572 1.00 0.62 H new ATOM 0 HA TRP A 135 -5.628 2.473 -7.433 1.00 0.76 H new ATOM 0 HB2 TRP A 135 -6.496 4.608 -8.007 1.00 0.81 H new ATOM 0 HB3 TRP A 135 -6.296 4.607 -6.266 1.00 0.81 H new ATOM 0 HD1 TRP A 135 -4.428 6.261 -5.236 1.00 0.76 H new ATOM 0 HE1 TRP A 135 -3.435 8.455 -6.169 1.00 0.89 H new ATOM 0 HE3 TRP A 135 -5.311 5.506 -10.221 1.00 1.10 H new ATOM 0 HZ2 TRP A 135 -3.028 9.675 -8.773 1.00 1.20 H new ATOM 0 HZ3 TRP A 135 -4.223 6.965 -11.896 1.00 1.26 H new ATOM 0 HH2 TRP A 135 -3.127 9.082 -11.195 1.00 1.31 H new ATOM 656 N GLU A 136 -2.712 3.393 -8.360 1.00 0.72 N ATOM 657 CA GLU A 136 -1.734 3.605 -9.432 1.00 0.72 C ATOM 658 C GLU A 136 -1.129 2.250 -9.842 1.00 0.73 C ATOM 659 O GLU A 136 -1.730 1.534 -10.641 1.00 1.03 O ATOM 660 CB GLU A 136 -0.720 4.663 -8.939 1.00 0.64 C ATOM 661 CG GLU A 136 -1.034 6.058 -9.465 1.00 0.85 C ATOM 662 CD GLU A 136 -0.201 6.406 -10.688 1.00 1.10 C ATOM 663 OE1 GLU A 136 -0.332 5.650 -11.665 1.00 1.77 O ATOM 664 OE2 GLU A 136 0.611 7.359 -10.628 1.00 1.48 O ATOM 0 H GLU A 136 -2.284 3.341 -7.435 1.00 0.72 H new ATOM 0 HA GLU A 136 -2.179 4.002 -10.345 1.00 0.72 H new ATOM 0 HB2 GLU A 136 -0.718 4.681 -7.849 1.00 0.64 H new ATOM 0 HB3 GLU A 136 0.283 4.376 -9.255 1.00 0.64 H new ATOM 0 HG2 GLU A 136 -2.093 6.121 -9.718 1.00 0.85 H new ATOM 0 HG3 GLU A 136 -0.850 6.791 -8.680 1.00 0.85 H new ATOM 671 N CYS A 137 -0.012 1.819 -9.235 1.00 0.59 N ATOM 672 CA CYS A 137 0.564 0.495 -9.460 1.00 0.65 C ATOM 673 C CYS A 137 -0.411 -0.648 -9.107 1.00 0.78 C ATOM 674 O CYS A 137 -0.261 -1.759 -9.619 1.00 1.17 O ATOM 675 CB CYS A 137 1.866 0.382 -8.652 1.00 0.60 C ATOM 676 SG CYS A 137 1.673 0.744 -6.884 1.00 0.59 S ATOM 0 H CYS A 137 0.516 2.387 -8.572 1.00 0.59 H new ATOM 0 HA CYS A 137 0.773 0.387 -10.524 1.00 0.65 H new ATOM 0 HB2 CYS A 137 2.265 -0.626 -8.764 1.00 0.60 H new ATOM 0 HB3 CYS A 137 2.603 1.065 -9.074 1.00 0.60 H new ATOM 681 N GLY A 138 -1.371 -0.414 -8.205 1.00 0.58 N ATOM 682 CA GLY A 138 -2.330 -1.417 -7.741 1.00 0.71 C ATOM 683 C GLY A 138 -1.704 -2.470 -6.836 1.00 0.84 C ATOM 684 O GLY A 138 -2.206 -3.594 -6.772 1.00 1.10 O ATOM 0 H GLY A 138 -1.504 0.499 -7.769 1.00 0.58 H new ATOM 0 HA2 GLY A 138 -3.137 -0.918 -7.204 1.00 0.71 H new ATOM 0 HA3 GLY A 138 -2.778 -1.909 -8.604 1.00 0.71 H new ATOM 688 N SER A 139 -0.610 -2.161 -6.137 1.00 0.73 N ATOM 689 CA SER A 139 -0.248 -2.947 -4.959 1.00 0.79 C ATOM 690 C SER A 139 -1.251 -2.688 -3.838 1.00 0.69 C ATOM 691 O SER A 139 -1.491 -1.543 -3.470 1.00 0.78 O ATOM 692 CB SER A 139 1.226 -2.783 -4.543 1.00 0.85 C ATOM 693 OG SER A 139 1.794 -1.523 -4.797 1.00 1.79 O ATOM 0 H SER A 139 0.024 -1.394 -6.358 1.00 0.73 H new ATOM 0 HA SER A 139 -0.316 -4.004 -5.217 1.00 0.79 H new ATOM 0 HB2 SER A 139 1.308 -2.990 -3.476 1.00 0.85 H new ATOM 0 HB3 SER A 139 1.817 -3.539 -5.061 1.00 0.85 H new ATOM 0 HG SER A 139 2.055 -1.105 -3.950 1.00 1.79 H new ATOM 699 N VAL A 140 -1.851 -3.767 -3.317 1.00 0.60 N ATOM 700 CA VAL A 140 -2.512 -3.729 -2.006 1.00 0.53 C ATOM 701 C VAL A 140 -1.422 -3.832 -0.951 1.00 0.49 C ATOM 702 O VAL A 140 -0.413 -4.494 -1.166 1.00 0.56 O ATOM 703 CB VAL A 140 -3.596 -4.817 -1.781 1.00 0.56 C ATOM 704 CG1 VAL A 140 -4.356 -4.678 -0.445 1.00 0.54 C ATOM 705 CG2 VAL A 140 -4.677 -4.816 -2.872 1.00 0.67 C ATOM 0 H VAL A 140 -1.892 -4.674 -3.782 1.00 0.60 H new ATOM 0 HA VAL A 140 -3.065 -2.792 -1.943 1.00 0.53 H new ATOM 0 HB VAL A 140 -3.016 -5.740 -1.793 1.00 0.56 H new ATOM 0 HG11 VAL A 140 -5.095 -5.475 -0.362 1.00 0.54 H new ATOM 0 HG12 VAL A 140 -3.651 -4.750 0.384 1.00 0.54 H new ATOM 0 HG13 VAL A 140 -4.859 -3.711 -0.411 1.00 0.54 H new ATOM 0 HG21 VAL A 140 -5.407 -5.598 -2.662 1.00 0.67 H new ATOM 0 HG22 VAL A 140 -5.177 -3.847 -2.888 1.00 0.67 H new ATOM 0 HG23 VAL A 140 -4.215 -5.002 -3.842 1.00 0.67 H new ATOM 715 N TYR A 141 -1.665 -3.178 0.173 1.00 0.46 N ATOM 716 CA TYR A 141 -0.814 -3.022 1.344 1.00 0.43 C ATOM 717 C TYR A 141 -1.611 -3.299 2.610 1.00 0.43 C ATOM 718 O TYR A 141 -2.822 -3.070 2.645 1.00 0.54 O ATOM 719 CB TYR A 141 -0.321 -1.577 1.417 1.00 0.44 C ATOM 720 CG TYR A 141 0.658 -1.209 0.339 1.00 0.48 C ATOM 721 CD1 TYR A 141 0.215 -0.768 -0.922 1.00 1.76 C ATOM 722 CD2 TYR A 141 2.028 -1.333 0.617 1.00 2.22 C ATOM 723 CE1 TYR A 141 1.158 -0.458 -1.918 1.00 1.71 C ATOM 724 CE2 TYR A 141 2.970 -1.028 -0.371 1.00 2.30 C ATOM 725 CZ TYR A 141 2.540 -0.602 -1.646 1.00 0.63 C ATOM 726 OH TYR A 141 3.469 -0.351 -2.600 1.00 0.77 O ATOM 0 H TYR A 141 -2.553 -2.694 0.302 1.00 0.46 H new ATOM 0 HA TYR A 141 0.020 -3.719 1.264 1.00 0.43 H new ATOM 0 HB2 TYR A 141 -1.179 -0.908 1.357 1.00 0.44 H new ATOM 0 HB3 TYR A 141 0.145 -1.412 2.388 1.00 0.44 H new ATOM 0 HD1 TYR A 141 -0.841 -0.668 -1.123 1.00 1.76 H new ATOM 0 HD2 TYR A 141 2.354 -1.663 1.592 1.00 2.22 H new ATOM 0 HE1 TYR A 141 0.829 -0.111 -2.887 1.00 1.71 H new ATOM 0 HE2 TYR A 141 4.025 -1.118 -0.158 1.00 2.30 H new ATOM 0 HH TYR A 141 3.270 0.506 -3.033 1.00 0.77 H new ATOM 736 N LYS A 142 -0.928 -3.714 3.673 1.00 0.37 N ATOM 737 CA LYS A 142 -1.530 -3.929 4.979 1.00 0.31 C ATOM 738 C LYS A 142 -0.672 -3.402 6.138 1.00 0.41 C ATOM 739 O LYS A 142 0.528 -3.147 6.007 1.00 0.41 O ATOM 740 CB LYS A 142 -1.852 -5.422 5.151 1.00 0.48 C ATOM 741 CG LYS A 142 -3.022 -5.568 6.123 1.00 0.46 C ATOM 742 CD LYS A 142 -2.711 -6.224 7.457 1.00 0.91 C ATOM 743 CE LYS A 142 -3.826 -5.656 8.330 1.00 1.30 C ATOM 744 NZ LYS A 142 -3.776 -6.157 9.714 1.00 2.44 N ATOM 0 H LYS A 142 0.072 -3.912 3.648 1.00 0.37 H new ATOM 0 HA LYS A 142 -2.452 -3.349 5.017 1.00 0.31 H new ATOM 0 HB2 LYS A 142 -2.104 -5.866 4.188 1.00 0.48 H new ATOM 0 HB3 LYS A 142 -0.979 -5.955 5.529 1.00 0.48 H new ATOM 0 HG2 LYS A 142 -3.432 -4.577 6.317 1.00 0.46 H new ATOM 0 HG3 LYS A 142 -3.805 -6.146 5.632 1.00 0.46 H new ATOM 0 HD2 LYS A 142 -2.746 -7.312 7.399 1.00 0.91 H new ATOM 0 HD3 LYS A 142 -1.721 -5.956 7.827 1.00 0.91 H new ATOM 0 HE2 LYS A 142 -3.756 -4.568 8.339 1.00 1.30 H new ATOM 0 HE3 LYS A 142 -4.791 -5.910 7.891 1.00 1.30 H new ATOM 0 HZ1 LYS A 142 -4.501 -5.676 10.284 1.00 2.44 H new ATOM 0 HZ2 LYS A 142 -3.954 -7.182 9.719 1.00 2.44 H new ATOM 0 HZ3 LYS A 142 -2.837 -5.967 10.118 1.00 2.44 H new ATOM 758 N LEU A 143 -1.305 -3.236 7.298 1.00 0.56 N ATOM 759 CA LEU A 143 -0.654 -2.720 8.503 1.00 0.50 C ATOM 760 C LEU A 143 -0.543 -3.751 9.612 1.00 0.46 C ATOM 761 O LEU A 143 -1.441 -4.562 9.855 1.00 0.63 O ATOM 762 CB LEU A 143 -1.414 -1.485 8.973 1.00 0.50 C ATOM 763 CG LEU A 143 -0.740 -0.645 10.068 1.00 0.60 C ATOM 764 CD1 LEU A 143 -1.060 0.811 9.738 1.00 0.50 C ATOM 765 CD2 LEU A 143 -1.241 -0.966 11.480 1.00 0.89 C ATOM 0 H LEU A 143 -2.292 -3.457 7.430 1.00 0.56 H new ATOM 0 HA LEU A 143 0.373 -2.459 8.249 1.00 0.50 H new ATOM 0 HB2 LEU A 143 -1.590 -0.843 8.110 1.00 0.50 H new ATOM 0 HB3 LEU A 143 -2.390 -1.803 9.339 1.00 0.50 H new ATOM 0 HG LEU A 143 0.328 -0.861 10.076 1.00 0.60 H new ATOM 0 HD11 LEU A 143 -0.606 1.462 10.485 1.00 0.50 H new ATOM 0 HD12 LEU A 143 -0.663 1.057 8.753 1.00 0.50 H new ATOM 0 HD13 LEU A 143 -2.140 0.956 9.740 1.00 0.50 H new ATOM 0 HD21 LEU A 143 -0.722 -0.336 12.202 1.00 0.89 H new ATOM 0 HD22 LEU A 143 -2.313 -0.777 11.537 1.00 0.89 H new ATOM 0 HD23 LEU A 143 -1.045 -2.014 11.706 1.00 0.89 H new ATOM 777 N ASN A 144 0.560 -3.657 10.333 1.00 0.46 N ATOM 778 CA ASN A 144 0.853 -4.497 11.482 1.00 0.49 C ATOM 779 C ASN A 144 0.824 -3.642 12.768 1.00 0.71 C ATOM 780 O ASN A 144 1.236 -2.483 12.749 1.00 1.03 O ATOM 781 CB ASN A 144 2.190 -5.244 11.254 1.00 0.56 C ATOM 782 CG ASN A 144 3.392 -4.363 10.893 1.00 0.85 C ATOM 783 OD1 ASN A 144 3.284 -3.157 10.770 1.00 1.33 O ATOM 784 ND2 ASN A 144 4.559 -4.947 10.720 1.00 1.05 N ATOM 0 H ASN A 144 1.295 -2.979 10.132 1.00 0.46 H new ATOM 0 HA ASN A 144 0.091 -5.266 11.607 1.00 0.49 H new ATOM 0 HB2 ASN A 144 2.431 -5.803 12.158 1.00 0.56 H new ATOM 0 HB3 ASN A 144 2.046 -5.974 10.457 1.00 0.56 H new ATOM 0 HD21 ASN A 144 5.378 -4.388 10.482 1.00 1.05 H new ATOM 0 HD22 ASN A 144 4.644 -5.958 10.824 1.00 1.05 H new ATOM 791 N PRO A 145 0.352 -4.187 13.908 1.00 0.90 N ATOM 792 CA PRO A 145 0.200 -3.424 15.150 1.00 1.32 C ATOM 793 C PRO A 145 1.552 -3.001 15.733 1.00 1.33 C ATOM 794 O PRO A 145 1.636 -1.985 16.411 1.00 2.07 O ATOM 795 CB PRO A 145 -0.511 -4.379 16.115 1.00 1.68 C ATOM 796 CG PRO A 145 0.002 -5.744 15.653 1.00 1.47 C ATOM 797 CD PRO A 145 -0.011 -5.580 14.134 1.00 1.12 C ATOM 0 HA PRO A 145 -0.355 -2.502 14.977 1.00 1.32 H new ATOM 0 HB2 PRO A 145 -0.251 -4.176 17.154 1.00 1.68 H new ATOM 0 HB3 PRO A 145 -1.596 -4.304 16.037 1.00 1.68 H new ATOM 0 HG2 PRO A 145 1.001 -5.956 16.034 1.00 1.47 H new ATOM 0 HG3 PRO A 145 -0.644 -6.558 15.983 1.00 1.47 H new ATOM 0 HD2 PRO A 145 0.698 -6.256 13.657 1.00 1.12 H new ATOM 0 HD3 PRO A 145 -0.994 -5.805 13.720 1.00 1.12 H new ATOM 805 N VAL A 146 2.594 -3.793 15.452 1.00 0.84 N ATOM 806 CA VAL A 146 3.962 -3.705 15.973 1.00 0.94 C ATOM 807 C VAL A 146 4.066 -3.400 17.485 1.00 1.67 C ATOM 808 O VAL A 146 3.150 -3.631 18.271 1.00 2.76 O ATOM 809 CB VAL A 146 4.810 -2.734 15.105 1.00 1.01 C ATOM 810 CG1 VAL A 146 4.866 -3.111 13.638 1.00 1.28 C ATOM 811 CG2 VAL A 146 4.283 -1.305 15.056 1.00 2.28 C ATOM 0 H VAL A 146 2.493 -4.573 14.803 1.00 0.84 H new ATOM 0 HA VAL A 146 4.383 -4.707 15.889 1.00 0.94 H new ATOM 0 HB VAL A 146 5.776 -2.807 15.604 1.00 1.01 H new ATOM 0 HG11 VAL A 146 5.476 -2.386 13.099 1.00 1.28 H new ATOM 0 HG12 VAL A 146 5.305 -4.103 13.534 1.00 1.28 H new ATOM 0 HG13 VAL A 146 3.857 -3.115 13.225 1.00 1.28 H new ATOM 0 HG21 VAL A 146 4.936 -0.698 14.429 1.00 2.28 H new ATOM 0 HG22 VAL A 146 3.275 -1.303 14.640 1.00 2.28 H new ATOM 0 HG23 VAL A 146 4.261 -0.891 16.064 1.00 2.28 H new ATOM 821 N GLY A 147 5.220 -2.872 17.888 1.00 1.64 N ATOM 822 CA GLY A 147 5.351 -1.812 18.857 1.00 1.88 C ATOM 823 C GLY A 147 6.809 -1.507 19.126 1.00 2.09 C ATOM 824 O GLY A 147 7.700 -1.807 18.336 1.00 2.29 O ATOM 0 H GLY A 147 6.119 -3.191 17.527 1.00 1.64 H new ATOM 0 HA2 GLY A 147 4.849 -0.916 18.493 1.00 1.88 H new ATOM 0 HA3 GLY A 147 4.857 -2.099 19.786 1.00 1.88 H new TER 828 GLY A 147 HETATM 829 ZN ZN A 156 1.735 2.946 -6.077 1.00 0.48 ZN