USER MOD reduce.3.24.130724 H: found=0, std=0, add=384, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 384 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 110 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 111 GLN : amide:sc= -0.103 K(o=-0.1,f=-2.4!) USER MOD Single : A 112 THR OG1 : rot 110:sc= 1.31 USER MOD Single : A 113 GLN : amide:sc= -0.0281 K(o=-0.028,f=-1.1) USER MOD Single : A 114 SER OG : rot 180:sc=-0.00363 USER MOD Single : A 115 THR OG1 : rot 180:sc= 0.0113 USER MOD Single : A 122 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00348) USER MOD Single : A 123 THR OG1 : rot 180:sc= 0 USER MOD Single : A 124 SER OG : rot 180:sc= 0 USER MOD Single : A 127 ASN :FLIP amide:sc= 0.676 F(o=-0.16,f=0.68) USER MOD Single : A 128 SER OG : rot 180:sc= 0 USER MOD Single : A 133 THR OG1 : rot 180:sc= 0 USER MOD Single : A 136 SER OG : rot -15:sc= 0.455 USER MOD Single : A 139 THR OG1 : rot 180:sc= 0 USER MOD Single : A 140 HIS : no HD1:sc= -0.144 X(o=-0.14,f=-0.028) USER MOD Single : A 141 SER OG : rot 180:sc= -0.548 USER MOD Single : A 142 SER OG : rot 180:sc= 0 USER MOD Single : A 146 THR OG1 : rot 170:sc= -0.854 USER MOD Single : A 153 ASN : amide:sc= -1.43 K(o=-1.4,f=-5.9!) USER MOD Single : A 155 SER OG : rot 180:sc= 0 USER MOD Single : A 157 LYS NZ :NH3+ -158:sc= -0.121 (180deg=-0.595) USER MOD Single : A 158 THR OG1 : rot 173:sc= -0.737 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 110 0.460 -0.494 -4.369 1.00 72.11 N ATOM 2 CA MET A 110 1.750 0.105 -4.046 1.00 72.43 C ATOM 3 C MET A 110 2.839 -0.960 -3.967 1.00 71.42 C ATOM 4 O MET A 110 2.909 -1.718 -3.000 1.00 35.01 O ATOM 5 CB MET A 110 1.666 0.865 -2.721 1.00 61.51 C ATOM 6 CG MET A 110 2.797 1.860 -2.519 1.00 20.22 C ATOM 7 SD MET A 110 2.766 2.624 -0.886 1.00 20.00 S ATOM 8 CE MET A 110 2.028 4.210 -1.269 1.00 15.35 C ATOM 0 HA MET A 110 2.007 0.804 -4.842 1.00 72.43 H new ATOM 0 HB2 MET A 110 0.714 1.395 -2.675 1.00 61.51 H new ATOM 0 HB3 MET A 110 1.672 0.149 -1.900 1.00 61.51 H new ATOM 0 HG2 MET A 110 3.751 1.353 -2.661 1.00 20.22 H new ATOM 0 HG3 MET A 110 2.733 2.637 -3.281 1.00 20.22 H new ATOM 0 HE1 MET A 110 1.941 4.801 -0.357 1.00 15.35 H new ATOM 0 HE2 MET A 110 2.655 4.739 -1.986 1.00 15.35 H new ATOM 0 HE3 MET A 110 1.037 4.056 -1.697 1.00 15.35 H new ATOM 18 N GLN A 111 3.686 -1.012 -4.990 1.00 54.24 N ATOM 19 CA GLN A 111 4.770 -1.985 -5.036 1.00 22.34 C ATOM 20 C GLN A 111 6.109 -1.324 -4.724 1.00 53.10 C ATOM 21 O GLN A 111 6.171 -0.129 -4.433 1.00 53.34 O ATOM 22 CB GLN A 111 4.826 -2.654 -6.410 1.00 62.40 C ATOM 23 CG GLN A 111 3.682 -3.622 -6.663 1.00 34.45 C ATOM 24 CD GLN A 111 2.463 -2.943 -7.256 1.00 30.14 C ATOM 25 OE1 GLN A 111 1.675 -2.322 -6.542 1.00 31.35 O ATOM 26 NE2 GLN A 111 2.302 -3.057 -8.569 1.00 34.33 N ATOM 0 H GLN A 111 3.642 -0.391 -5.798 1.00 54.24 H new ATOM 0 HA GLN A 111 4.575 -2.744 -4.278 1.00 22.34 H new ATOM 0 HB2 GLN A 111 4.816 -1.883 -7.181 1.00 62.40 H new ATOM 0 HB3 GLN A 111 5.771 -3.188 -6.506 1.00 62.40 H new ATOM 0 HG2 GLN A 111 4.019 -4.409 -7.338 1.00 34.45 H new ATOM 0 HG3 GLN A 111 3.405 -4.104 -5.725 1.00 34.45 H new ATOM 0 HE21 GLN A 111 2.980 -3.581 -9.122 1.00 34.33 H new ATOM 0 HE22 GLN A 111 1.500 -2.620 -9.024 1.00 34.33 H new ATOM 35 N THR A 112 7.180 -2.109 -4.786 1.00 11.11 N ATOM 36 CA THR A 112 8.517 -1.600 -4.509 1.00 23.20 C ATOM 37 C THR A 112 9.530 -2.140 -5.513 1.00 15.30 C ATOM 38 O THR A 112 9.260 -3.111 -6.218 1.00 75.42 O ATOM 39 CB THR A 112 8.976 -1.970 -3.086 1.00 34.52 C ATOM 40 OG1 THR A 112 7.839 -2.259 -2.264 1.00 54.44 O ATOM 41 CG2 THR A 112 9.782 -0.839 -2.466 1.00 30.45 C ATOM 0 H THR A 112 7.147 -3.100 -5.026 1.00 11.11 H new ATOM 0 HA THR A 112 8.466 -0.515 -4.596 1.00 23.20 H new ATOM 0 HB THR A 112 9.611 -2.854 -3.151 1.00 34.52 H new ATOM 0 HG1 THR A 112 7.819 -3.217 -2.059 1.00 54.44 H new ATOM 0 HG21 THR A 112 10.095 -1.124 -1.461 1.00 30.45 H new ATOM 0 HG22 THR A 112 10.662 -0.641 -3.078 1.00 30.45 H new ATOM 0 HG23 THR A 112 9.167 0.060 -2.414 1.00 30.45 H new ATOM 49 N GLN A 113 10.695 -1.503 -5.571 1.00 70.43 N ATOM 50 CA GLN A 113 11.747 -1.921 -6.490 1.00 45.10 C ATOM 51 C GLN A 113 12.985 -2.383 -5.727 1.00 14.51 C ATOM 52 O GLN A 113 13.748 -1.566 -5.210 1.00 34.50 O ATOM 53 CB GLN A 113 12.114 -0.774 -7.434 1.00 22.23 C ATOM 54 CG GLN A 113 12.282 0.563 -6.730 1.00 62.21 C ATOM 55 CD GLN A 113 13.256 1.480 -7.444 1.00 20.43 C ATOM 56 OE1 GLN A 113 13.600 1.256 -8.605 1.00 12.22 O ATOM 57 NE2 GLN A 113 13.707 2.519 -6.751 1.00 54.33 N ATOM 0 H GLN A 113 10.934 -0.697 -4.994 1.00 70.43 H new ATOM 0 HA GLN A 113 11.370 -2.759 -7.077 1.00 45.10 H new ATOM 0 HB2 GLN A 113 13.041 -1.022 -7.951 1.00 22.23 H new ATOM 0 HB3 GLN A 113 11.340 -0.679 -8.196 1.00 22.23 H new ATOM 0 HG2 GLN A 113 11.312 1.055 -6.657 1.00 62.21 H new ATOM 0 HG3 GLN A 113 12.630 0.392 -5.711 1.00 62.21 H new ATOM 0 HE21 GLN A 113 13.395 2.666 -5.791 1.00 54.33 H new ATOM 0 HE22 GLN A 113 14.366 3.170 -7.179 1.00 54.33 H new ATOM 66 N SER A 114 13.177 -3.696 -5.660 1.00 73.10 N ATOM 67 CA SER A 114 14.319 -4.267 -4.956 1.00 43.32 C ATOM 68 C SER A 114 15.201 -5.067 -5.910 1.00 50.54 C ATOM 69 O SER A 114 14.805 -5.368 -7.037 1.00 14.51 O ATOM 70 CB SER A 114 13.844 -5.163 -3.811 1.00 10.32 C ATOM 71 OG SER A 114 14.907 -5.462 -2.923 1.00 30.31 O ATOM 0 H SER A 114 12.556 -4.385 -6.085 1.00 73.10 H new ATOM 0 HA SER A 114 14.908 -3.447 -4.546 1.00 43.32 H new ATOM 0 HB2 SER A 114 13.040 -4.668 -3.267 1.00 10.32 H new ATOM 0 HB3 SER A 114 13.433 -6.088 -4.215 1.00 10.32 H new ATOM 0 HG SER A 114 14.577 -6.034 -2.199 1.00 30.31 H new ATOM 77 N THR A 115 16.401 -5.409 -5.451 1.00 51.53 N ATOM 78 CA THR A 115 17.340 -6.172 -6.263 1.00 25.15 C ATOM 79 C THR A 115 17.386 -7.631 -5.824 1.00 24.22 C ATOM 80 O THR A 115 17.329 -7.934 -4.632 1.00 14.25 O ATOM 81 CB THR A 115 18.760 -5.580 -6.185 1.00 42.40 C ATOM 82 OG1 THR A 115 19.030 -5.126 -4.854 1.00 13.21 O ATOM 83 CG2 THR A 115 18.919 -4.424 -7.162 1.00 34.30 C ATOM 0 H THR A 115 16.745 -5.169 -4.521 1.00 51.53 H new ATOM 0 HA THR A 115 16.987 -6.115 -7.293 1.00 25.15 H new ATOM 0 HB THR A 115 19.470 -6.362 -6.453 1.00 42.40 H new ATOM 0 HG1 THR A 115 19.935 -4.753 -4.813 1.00 13.21 H new ATOM 0 HG21 THR A 115 19.930 -4.022 -7.089 1.00 34.30 H new ATOM 0 HG22 THR A 115 18.742 -4.779 -8.177 1.00 34.30 H new ATOM 0 HG23 THR A 115 18.199 -3.642 -6.921 1.00 34.30 H new ATOM 91 N CYS A 116 17.491 -8.533 -6.794 1.00 44.01 N ATOM 92 CA CYS A 116 17.545 -9.962 -6.508 1.00 45.45 C ATOM 93 C CYS A 116 17.732 -10.766 -7.792 1.00 32.13 C ATOM 94 O CYS A 116 17.402 -10.317 -8.889 1.00 55.43 O ATOM 95 CB CYS A 116 16.269 -10.409 -5.794 1.00 13.21 C ATOM 96 SG CYS A 116 14.735 -9.779 -6.548 1.00 51.42 S ATOM 0 H CYS A 116 17.540 -8.300 -7.786 1.00 44.01 H new ATOM 0 HA CYS A 116 18.400 -10.146 -5.857 1.00 45.45 H new ATOM 0 HB2 CYS A 116 16.235 -11.498 -5.782 1.00 13.21 H new ATOM 0 HB3 CYS A 116 16.312 -10.080 -4.756 1.00 13.21 H new ATOM 101 N PRO A 117 18.273 -11.985 -7.652 1.00 65.22 N ATOM 102 CA PRO A 117 18.515 -12.879 -8.789 1.00 4.22 C ATOM 103 C PRO A 117 17.221 -13.415 -9.390 1.00 71.41 C ATOM 104 O PRO A 117 16.427 -14.057 -8.703 1.00 55.41 O ATOM 105 CB PRO A 117 19.333 -14.018 -8.176 1.00 62.53 C ATOM 106 CG PRO A 117 18.959 -14.020 -6.734 1.00 64.52 C ATOM 107 CD PRO A 117 18.691 -12.585 -6.374 1.00 21.40 C ATOM 0 HA PRO A 117 19.019 -12.368 -9.610 1.00 4.22 H new ATOM 0 HB2 PRO A 117 19.098 -14.972 -8.647 1.00 62.53 H new ATOM 0 HB3 PRO A 117 20.402 -13.853 -8.307 1.00 62.53 H new ATOM 0 HG2 PRO A 117 18.077 -14.637 -6.560 1.00 64.52 H new ATOM 0 HG3 PRO A 117 19.762 -14.432 -6.123 1.00 64.52 H new ATOM 0 HD2 PRO A 117 17.912 -12.500 -5.616 1.00 21.40 H new ATOM 0 HD3 PRO A 117 19.580 -12.098 -5.973 1.00 21.40 H new ATOM 115 N GLU A 118 17.016 -13.149 -10.676 1.00 70.03 N ATOM 116 CA GLU A 118 15.817 -13.606 -11.369 1.00 13.23 C ATOM 117 C GLU A 118 15.598 -15.100 -11.150 1.00 21.11 C ATOM 118 O GLU A 118 16.545 -15.846 -10.897 1.00 13.00 O ATOM 119 CB GLU A 118 15.921 -13.308 -12.866 1.00 31.30 C ATOM 120 CG GLU A 118 14.584 -13.004 -13.520 1.00 72.15 C ATOM 121 CD GLU A 118 14.734 -12.304 -14.857 1.00 64.22 C ATOM 122 OE1 GLU A 118 14.968 -11.078 -14.862 1.00 41.34 O ATOM 123 OE2 GLU A 118 14.619 -12.984 -15.898 1.00 74.25 O ATOM 0 H GLU A 118 17.664 -12.620 -11.259 1.00 70.03 H new ATOM 0 HA GLU A 118 14.963 -13.067 -10.958 1.00 13.23 H new ATOM 0 HB2 GLU A 118 16.589 -12.460 -13.013 1.00 31.30 H new ATOM 0 HB3 GLU A 118 16.375 -14.163 -13.367 1.00 31.30 H new ATOM 0 HG2 GLU A 118 14.033 -13.934 -13.661 1.00 72.15 H new ATOM 0 HG3 GLU A 118 13.991 -12.380 -12.852 1.00 72.15 H new ATOM 130 N ILE A 119 14.344 -15.529 -11.249 1.00 25.33 N ATOM 131 CA ILE A 119 14.001 -16.934 -11.062 1.00 44.43 C ATOM 132 C ILE A 119 14.486 -17.778 -12.236 1.00 24.44 C ATOM 133 O ILE A 119 14.282 -17.441 -13.402 1.00 22.01 O ATOM 134 CB ILE A 119 12.482 -17.125 -10.900 1.00 31.12 C ATOM 135 CG1 ILE A 119 11.960 -16.277 -9.738 1.00 63.10 C ATOM 136 CG2 ILE A 119 12.154 -18.594 -10.679 1.00 72.35 C ATOM 137 CD1 ILE A 119 10.469 -16.406 -9.517 1.00 64.33 C ATOM 0 H ILE A 119 13.549 -14.925 -11.457 1.00 25.33 H new ATOM 0 HA ILE A 119 14.500 -17.263 -10.150 1.00 44.43 H new ATOM 0 HB ILE A 119 11.990 -16.796 -11.815 1.00 31.12 H new ATOM 0 HG12 ILE A 119 12.481 -16.566 -8.825 1.00 63.10 H new ATOM 0 HG13 ILE A 119 12.202 -15.231 -9.925 1.00 63.10 H new ATOM 0 HG21 ILE A 119 11.076 -18.713 -10.566 1.00 72.35 H new ATOM 0 HG22 ILE A 119 12.496 -19.176 -11.535 1.00 72.35 H new ATOM 0 HG23 ILE A 119 12.654 -18.947 -9.777 1.00 72.35 H new ATOM 0 HD11 ILE A 119 10.170 -15.778 -8.678 1.00 64.33 H new ATOM 0 HD12 ILE A 119 9.939 -16.089 -10.415 1.00 64.33 H new ATOM 0 HD13 ILE A 119 10.222 -17.445 -9.298 1.00 64.33 H new ATOM 149 N PRO A 120 15.143 -18.905 -11.922 1.00 2.01 N ATOM 150 CA PRO A 120 15.669 -19.823 -12.936 1.00 70.33 C ATOM 151 C PRO A 120 14.561 -20.560 -13.681 1.00 21.40 C ATOM 152 O PRO A 120 13.576 -20.990 -13.081 1.00 12.35 O ATOM 153 CB PRO A 120 16.512 -20.807 -12.121 1.00 72.42 C ATOM 154 CG PRO A 120 15.917 -20.775 -10.756 1.00 1.13 C ATOM 155 CD PRO A 120 15.423 -19.369 -10.553 1.00 33.33 C ATOM 0 HA PRO A 120 16.231 -19.298 -13.709 1.00 70.33 H new ATOM 0 HB2 PRO A 120 16.472 -21.810 -12.547 1.00 72.42 H new ATOM 0 HB3 PRO A 120 17.561 -20.510 -12.103 1.00 72.42 H new ATOM 0 HG2 PRO A 120 15.101 -21.492 -10.669 1.00 1.13 H new ATOM 0 HG3 PRO A 120 16.657 -21.042 -10.001 1.00 1.13 H new ATOM 0 HD2 PRO A 120 14.529 -19.343 -9.929 1.00 33.33 H new ATOM 0 HD3 PRO A 120 16.172 -18.747 -10.063 1.00 33.33 H new ATOM 163 N ASP A 121 14.729 -20.704 -14.991 1.00 3.12 N ATOM 164 CA ASP A 121 13.744 -21.391 -15.818 1.00 13.15 C ATOM 165 C ASP A 121 14.423 -22.360 -16.781 1.00 12.34 C ATOM 166 O ASP A 121 15.590 -22.187 -17.132 1.00 23.45 O ATOM 167 CB ASP A 121 12.907 -20.377 -16.600 1.00 20.24 C ATOM 168 CG ASP A 121 11.862 -19.699 -15.735 1.00 45.12 C ATOM 169 OD1 ASP A 121 11.268 -20.383 -14.876 1.00 11.13 O ATOM 170 OD2 ASP A 121 11.640 -18.484 -15.918 1.00 2.14 O ATOM 0 H ASP A 121 15.539 -20.354 -15.503 1.00 3.12 H new ATOM 0 HA ASP A 121 13.088 -21.961 -15.160 1.00 13.15 H new ATOM 0 HB2 ASP A 121 13.565 -19.621 -17.029 1.00 20.24 H new ATOM 0 HB3 ASP A 121 12.415 -20.881 -17.432 1.00 20.24 H new ATOM 175 N LYS A 122 13.684 -23.380 -17.204 1.00 43.22 N ATOM 176 CA LYS A 122 14.214 -24.377 -18.127 1.00 34.01 C ATOM 177 C LYS A 122 14.469 -23.766 -19.501 1.00 1.32 C ATOM 178 O LYS A 122 15.131 -24.368 -20.347 1.00 0.11 O ATOM 179 CB LYS A 122 13.242 -25.552 -18.253 1.00 35.34 C ATOM 180 CG LYS A 122 12.785 -26.110 -16.916 1.00 12.34 C ATOM 181 CD LYS A 122 13.938 -26.738 -16.150 1.00 55.42 C ATOM 182 CE LYS A 122 13.729 -26.637 -14.647 1.00 32.11 C ATOM 183 NZ LYS A 122 12.517 -27.380 -14.204 1.00 72.52 N ATOM 0 H LYS A 122 12.716 -23.538 -16.922 1.00 43.22 H new ATOM 0 HA LYS A 122 15.162 -24.738 -17.728 1.00 34.01 H new ATOM 0 HB2 LYS A 122 12.369 -25.231 -18.821 1.00 35.34 H new ATOM 0 HB3 LYS A 122 13.719 -26.348 -18.825 1.00 35.34 H new ATOM 0 HG2 LYS A 122 12.343 -25.312 -16.320 1.00 12.34 H new ATOM 0 HG3 LYS A 122 12.006 -26.855 -17.079 1.00 12.34 H new ATOM 0 HD2 LYS A 122 14.038 -27.785 -16.435 1.00 55.42 H new ATOM 0 HD3 LYS A 122 14.870 -26.243 -16.423 1.00 55.42 H new ATOM 0 HE2 LYS A 122 14.605 -27.031 -14.131 1.00 32.11 H new ATOM 0 HE3 LYS A 122 13.636 -25.589 -14.363 1.00 32.11 H new ATOM 0 HZ1 LYS A 122 12.429 -27.315 -13.170 1.00 72.52 H new ATOM 0 HZ2 LYS A 122 11.674 -26.966 -14.650 1.00 72.52 H new ATOM 0 HZ3 LYS A 122 12.601 -28.379 -14.482 1.00 72.52 H new ATOM 197 N THR A 123 13.941 -22.565 -19.717 1.00 3.33 N ATOM 198 CA THR A 123 14.113 -21.872 -20.987 1.00 54.14 C ATOM 199 C THR A 123 14.925 -20.594 -20.812 1.00 24.31 C ATOM 200 O THR A 123 15.544 -20.106 -21.758 1.00 12.24 O ATOM 201 CB THR A 123 12.754 -21.519 -21.623 1.00 23.44 C ATOM 202 OG1 THR A 123 12.949 -20.656 -22.748 1.00 1.30 O ATOM 203 CG2 THR A 123 11.842 -20.843 -20.610 1.00 25.32 C ATOM 0 H THR A 123 13.391 -22.052 -19.028 1.00 3.33 H new ATOM 0 HA THR A 123 14.650 -22.553 -21.647 1.00 54.14 H new ATOM 0 HB THR A 123 12.281 -22.444 -21.953 1.00 23.44 H new ATOM 0 HG1 THR A 123 12.081 -20.438 -23.147 1.00 1.30 H new ATOM 0 HG21 THR A 123 10.889 -20.603 -21.082 1.00 25.32 H new ATOM 0 HG22 THR A 123 11.672 -21.515 -19.769 1.00 25.32 H new ATOM 0 HG23 THR A 123 12.311 -19.926 -20.253 1.00 25.32 H new ATOM 211 N SER A 124 14.921 -20.058 -19.596 1.00 12.22 N ATOM 212 CA SER A 124 15.656 -18.834 -19.297 1.00 71.33 C ATOM 213 C SER A 124 16.859 -19.127 -18.406 1.00 62.24 C ATOM 214 O SER A 124 16.708 -19.489 -17.239 1.00 75.22 O ATOM 215 CB SER A 124 14.739 -17.816 -18.617 1.00 33.45 C ATOM 216 OG SER A 124 13.440 -17.840 -19.184 1.00 65.02 O ATOM 0 H SER A 124 14.417 -20.452 -18.801 1.00 12.22 H new ATOM 0 HA SER A 124 16.015 -18.416 -20.238 1.00 71.33 H new ATOM 0 HB2 SER A 124 14.678 -18.033 -17.551 1.00 33.45 H new ATOM 0 HB3 SER A 124 15.164 -16.817 -18.715 1.00 33.45 H new ATOM 0 HG SER A 124 12.873 -17.182 -18.731 1.00 65.02 H new ATOM 222 N ILE A 125 18.054 -18.968 -18.966 1.00 30.05 N ATOM 223 CA ILE A 125 19.284 -19.214 -18.222 1.00 74.14 C ATOM 224 C ILE A 125 20.179 -17.979 -18.216 1.00 75.42 C ATOM 225 O ILE A 125 20.025 -17.083 -19.047 1.00 32.43 O ATOM 226 CB ILE A 125 20.069 -20.401 -18.811 1.00 42.31 C ATOM 227 CG1 ILE A 125 19.115 -21.386 -19.490 1.00 2.23 C ATOM 228 CG2 ILE A 125 20.872 -21.097 -17.722 1.00 74.01 C ATOM 229 CD1 ILE A 125 18.079 -21.966 -18.553 1.00 22.51 C ATOM 0 H ILE A 125 18.197 -18.670 -19.931 1.00 30.05 H new ATOM 0 HA ILE A 125 18.993 -19.453 -17.199 1.00 74.14 H new ATOM 0 HB ILE A 125 20.763 -20.022 -19.561 1.00 42.31 H new ATOM 0 HG12 ILE A 125 18.608 -20.880 -20.312 1.00 2.23 H new ATOM 0 HG13 ILE A 125 19.695 -22.199 -19.926 1.00 2.23 H new ATOM 0 HG21 ILE A 125 21.421 -21.934 -18.153 1.00 74.01 H new ATOM 0 HG22 ILE A 125 21.575 -20.391 -17.280 1.00 74.01 H new ATOM 0 HG23 ILE A 125 20.196 -21.466 -16.951 1.00 74.01 H new ATOM 0 HD11 ILE A 125 17.437 -22.655 -19.102 1.00 22.51 H new ATOM 0 HD12 ILE A 125 18.578 -22.500 -17.745 1.00 22.51 H new ATOM 0 HD13 ILE A 125 17.474 -21.161 -18.136 1.00 22.51 H new ATOM 241 N CYS A 126 21.115 -17.939 -17.275 1.00 25.42 N ATOM 242 CA CYS A 126 22.037 -16.816 -17.160 1.00 4.10 C ATOM 243 C CYS A 126 23.440 -17.215 -17.609 1.00 21.33 C ATOM 244 O CYS A 126 23.874 -18.345 -17.391 1.00 23.43 O ATOM 245 CB CYS A 126 22.077 -16.307 -15.718 1.00 11.13 C ATOM 246 SG CYS A 126 23.356 -15.047 -15.409 1.00 12.13 S ATOM 0 H CYS A 126 21.255 -18.672 -16.580 1.00 25.42 H new ATOM 0 HA CYS A 126 21.680 -16.018 -17.810 1.00 4.10 H new ATOM 0 HB2 CYS A 126 21.102 -15.890 -15.464 1.00 11.13 H new ATOM 0 HB3 CYS A 126 22.246 -17.152 -15.050 1.00 11.13 H new ATOM 251 N ASN A 127 24.144 -16.279 -18.237 1.00 14.44 N ATOM 252 CA ASN A 127 25.497 -16.532 -18.717 1.00 22.45 C ATOM 253 C ASN A 127 26.532 -15.972 -17.746 1.00 45.22 C ATOM 254 O ASN A 127 26.184 -15.374 -16.728 1.00 23.21 O ATOM 255 CB ASN A 127 25.694 -15.914 -20.102 1.00 75.54 C ATOM 256 CG ASN A 127 24.443 -16.001 -20.956 1.00 42.52 C ATOM 257 OD1 ASN A 127 23.826 -17.176 -20.984 1.00 5.31 O flip ATOM 258 ND2 ASN A 127 24.037 -15.022 -21.583 1.00 13.10 N flip ATOM 0 H ASN A 127 23.799 -15.338 -18.425 1.00 14.44 H new ATOM 0 HA ASN A 127 25.635 -17.611 -18.786 1.00 22.45 H new ATOM 0 HB2 ASN A 127 25.984 -14.869 -19.993 1.00 75.54 H new ATOM 0 HB3 ASN A 127 26.514 -16.421 -20.610 1.00 75.54 H new ATOM 0 HD21 ASN A 127 24.543 -14.138 -21.532 1.00 13.10 H new ATOM 0 HD22 ASN A 127 23.194 -15.095 -22.153 1.00 13.10 H new ATOM 265 N SER A 128 27.807 -16.169 -18.070 1.00 14.41 N ATOM 266 CA SER A 128 28.893 -15.686 -17.226 1.00 1.33 C ATOM 267 C SER A 128 28.843 -14.167 -17.091 1.00 55.20 C ATOM 268 O SER A 128 28.115 -13.492 -17.819 1.00 51.15 O ATOM 269 CB SER A 128 30.244 -16.113 -17.803 1.00 20.13 C ATOM 270 OG SER A 128 30.930 -16.975 -16.911 1.00 75.42 O ATOM 0 H SER A 128 28.112 -16.660 -18.911 1.00 14.41 H new ATOM 0 HA SER A 128 28.773 -16.125 -16.236 1.00 1.33 H new ATOM 0 HB2 SER A 128 30.092 -16.618 -18.757 1.00 20.13 H new ATOM 0 HB3 SER A 128 30.853 -15.231 -18.002 1.00 20.13 H new ATOM 0 HG SER A 128 31.790 -17.235 -17.303 1.00 75.42 H new ATOM 276 N ASP A 129 29.621 -13.636 -16.154 1.00 74.32 N ATOM 277 CA ASP A 129 29.666 -12.197 -15.923 1.00 65.12 C ATOM 278 C ASP A 129 29.991 -11.450 -17.213 1.00 5.22 C ATOM 279 O ASP A 129 29.382 -10.425 -17.518 1.00 64.13 O ATOM 280 CB ASP A 129 30.705 -11.864 -14.851 1.00 33.04 C ATOM 281 CG ASP A 129 31.993 -12.642 -15.031 1.00 22.34 C ATOM 282 OD1 ASP A 129 32.836 -12.213 -15.845 1.00 43.23 O ATOM 283 OD2 ASP A 129 32.158 -13.681 -14.357 1.00 62.44 O ATOM 0 H ASP A 129 30.229 -14.181 -15.542 1.00 74.32 H new ATOM 0 HA ASP A 129 28.683 -11.878 -15.577 1.00 65.12 H new ATOM 0 HB2 ASP A 129 30.922 -10.796 -14.879 1.00 33.04 H new ATOM 0 HB3 ASP A 129 30.289 -12.079 -13.867 1.00 33.04 H new ATOM 288 N ALA A 130 30.956 -11.970 -17.965 1.00 0.41 N ATOM 289 CA ALA A 130 31.361 -11.352 -19.222 1.00 23.44 C ATOM 290 C ALA A 130 30.383 -11.692 -20.341 1.00 30.32 C ATOM 291 O ALA A 130 30.533 -11.229 -21.472 1.00 22.15 O ATOM 292 CB ALA A 130 32.769 -11.793 -19.596 1.00 54.03 C ATOM 0 H ALA A 130 31.471 -12.817 -17.726 1.00 0.41 H new ATOM 0 HA ALA A 130 31.354 -10.271 -19.086 1.00 23.44 H new ATOM 0 HB1 ALA A 130 33.059 -11.325 -20.536 1.00 54.03 H new ATOM 0 HB2 ALA A 130 33.464 -11.494 -18.812 1.00 54.03 H new ATOM 0 HB3 ALA A 130 32.793 -12.877 -19.708 1.00 54.03 H new ATOM 298 N ASP A 131 29.382 -12.504 -20.019 1.00 11.03 N ATOM 299 CA ASP A 131 28.378 -12.906 -20.997 1.00 42.25 C ATOM 300 C ASP A 131 26.981 -12.495 -20.543 1.00 42.32 C ATOM 301 O ASP A 131 25.981 -12.878 -21.151 1.00 62.00 O ATOM 302 CB ASP A 131 28.431 -14.418 -21.222 1.00 53.21 C ATOM 303 CG ASP A 131 27.634 -14.851 -22.437 1.00 14.41 C ATOM 304 OD1 ASP A 131 27.161 -13.967 -23.181 1.00 52.24 O ATOM 305 OD2 ASP A 131 27.482 -16.073 -22.643 1.00 31.24 O ATOM 0 H ASP A 131 29.244 -12.897 -19.088 1.00 11.03 H new ATOM 0 HA ASP A 131 28.598 -12.399 -21.936 1.00 42.25 H new ATOM 0 HB2 ASP A 131 29.469 -14.728 -21.343 1.00 53.21 H new ATOM 0 HB3 ASP A 131 28.047 -14.928 -20.338 1.00 53.21 H new ATOM 310 N CYS A 132 26.919 -11.713 -19.470 1.00 65.13 N ATOM 311 CA CYS A 132 25.646 -11.251 -18.933 1.00 13.33 C ATOM 312 C CYS A 132 25.563 -9.727 -18.963 1.00 63.23 C ATOM 313 O CYS A 132 26.457 -9.035 -18.474 1.00 31.42 O ATOM 314 CB CYS A 132 25.460 -11.754 -17.500 1.00 4.23 C ATOM 315 SG CYS A 132 23.724 -11.811 -16.951 1.00 24.24 S ATOM 0 H CYS A 132 27.737 -11.386 -18.955 1.00 65.13 H new ATOM 0 HA CYS A 132 24.849 -11.653 -19.559 1.00 13.33 H new ATOM 0 HB2 CYS A 132 25.889 -12.753 -17.419 1.00 4.23 H new ATOM 0 HB3 CYS A 132 26.023 -11.110 -16.824 1.00 4.23 H new ATOM 320 N THR A 133 24.484 -9.210 -19.542 1.00 11.11 N ATOM 321 CA THR A 133 24.284 -7.769 -19.638 1.00 22.44 C ATOM 322 C THR A 133 23.084 -7.325 -18.810 1.00 54.43 C ATOM 323 O THR A 133 22.104 -8.053 -18.653 1.00 34.12 O ATOM 324 CB THR A 133 24.079 -7.327 -21.099 1.00 0.44 C ATOM 325 OG1 THR A 133 23.180 -8.223 -21.761 1.00 32.15 O ATOM 326 CG2 THR A 133 25.405 -7.288 -21.844 1.00 32.13 C ATOM 0 H THR A 133 23.735 -9.768 -19.952 1.00 11.11 H new ATOM 0 HA THR A 133 25.186 -7.297 -19.247 1.00 22.44 H new ATOM 0 HB THR A 133 23.653 -6.324 -21.095 1.00 0.44 H new ATOM 0 HG1 THR A 133 23.054 -7.934 -22.689 1.00 32.15 H new ATOM 0 HG21 THR A 133 25.235 -6.973 -22.874 1.00 32.13 H new ATOM 0 HG22 THR A 133 26.076 -6.582 -21.355 1.00 32.13 H new ATOM 0 HG23 THR A 133 25.855 -8.281 -21.838 1.00 32.13 H new ATOM 334 N PRO A 134 23.158 -6.100 -18.269 1.00 3.24 N ATOM 335 CA PRO A 134 22.085 -5.530 -17.449 1.00 52.00 C ATOM 336 C PRO A 134 20.843 -5.198 -18.269 1.00 70.33 C ATOM 337 O PRO A 134 20.741 -5.570 -19.438 1.00 23.04 O ATOM 338 CB PRO A 134 22.710 -4.252 -16.885 1.00 10.24 C ATOM 339 CG PRO A 134 23.766 -3.881 -17.868 1.00 0.54 C ATOM 340 CD PRO A 134 24.296 -5.177 -18.415 1.00 43.21 C ATOM 0 HA PRO A 134 21.743 -6.227 -16.684 1.00 52.00 H new ATOM 0 HB2 PRO A 134 21.968 -3.460 -16.783 1.00 10.24 H new ATOM 0 HB3 PRO A 134 23.133 -4.422 -15.895 1.00 10.24 H new ATOM 0 HG2 PRO A 134 23.357 -3.260 -18.664 1.00 0.54 H new ATOM 0 HG3 PRO A 134 24.559 -3.306 -17.390 1.00 0.54 H new ATOM 0 HD2 PRO A 134 24.602 -5.078 -19.456 1.00 43.21 H new ATOM 0 HD3 PRO A 134 25.167 -5.522 -17.858 1.00 43.21 H new ATOM 348 N GLY A 135 19.900 -4.496 -17.649 1.00 53.52 N ATOM 349 CA GLY A 135 18.677 -4.125 -18.338 1.00 21.42 C ATOM 350 C GLY A 135 17.813 -5.325 -18.670 1.00 35.53 C ATOM 351 O GLY A 135 17.064 -5.813 -17.823 1.00 21.12 O ATOM 0 H GLY A 135 19.961 -4.177 -16.682 1.00 53.52 H new ATOM 0 HA2 GLY A 135 18.109 -3.433 -17.716 1.00 21.42 H new ATOM 0 HA3 GLY A 135 18.928 -3.596 -19.257 1.00 21.42 H new ATOM 355 N SER A 136 17.914 -5.802 -19.906 1.00 71.03 N ATOM 356 CA SER A 136 17.131 -6.949 -20.350 1.00 73.20 C ATOM 357 C SER A 136 15.657 -6.768 -20.001 1.00 75.22 C ATOM 358 O SER A 136 15.024 -7.665 -19.442 1.00 42.54 O ATOM 359 CB SER A 136 17.663 -8.234 -19.713 1.00 22.21 C ATOM 360 OG SER A 136 17.274 -8.329 -18.354 1.00 12.23 O ATOM 0 H SER A 136 18.531 -5.412 -20.618 1.00 71.03 H new ATOM 0 HA SER A 136 17.224 -7.023 -21.433 1.00 73.20 H new ATOM 0 HB2 SER A 136 17.289 -9.098 -20.263 1.00 22.21 H new ATOM 0 HB3 SER A 136 18.750 -8.256 -19.786 1.00 22.21 H new ATOM 0 HG SER A 136 16.950 -7.457 -18.045 1.00 12.23 H new ATOM 366 N VAL A 137 15.115 -5.601 -20.335 1.00 72.23 N ATOM 367 CA VAL A 137 13.715 -5.301 -20.059 1.00 60.12 C ATOM 368 C VAL A 137 12.804 -6.411 -20.571 1.00 33.13 C ATOM 369 O VAL A 137 12.566 -6.529 -21.773 1.00 1.40 O ATOM 370 CB VAL A 137 13.290 -3.967 -20.700 1.00 40.43 C ATOM 371 CG1 VAL A 137 13.698 -3.924 -22.165 1.00 3.21 C ATOM 372 CG2 VAL A 137 11.791 -3.757 -20.550 1.00 32.41 C ATOM 0 H VAL A 137 15.624 -4.848 -20.797 1.00 72.23 H new ATOM 0 HA VAL A 137 13.615 -5.223 -18.976 1.00 60.12 H new ATOM 0 HB VAL A 137 13.801 -3.156 -20.181 1.00 40.43 H new ATOM 0 HG11 VAL A 137 13.389 -2.974 -22.601 1.00 3.21 H new ATOM 0 HG12 VAL A 137 14.780 -4.025 -22.244 1.00 3.21 H new ATOM 0 HG13 VAL A 137 13.217 -4.742 -22.701 1.00 3.21 H new ATOM 0 HG21 VAL A 137 11.509 -2.809 -21.009 1.00 32.41 H new ATOM 0 HG22 VAL A 137 11.259 -4.571 -21.042 1.00 32.41 H new ATOM 0 HG23 VAL A 137 11.530 -3.740 -19.492 1.00 32.41 H new ATOM 382 N ASP A 138 12.296 -7.223 -19.650 1.00 53.02 N ATOM 383 CA ASP A 138 11.408 -8.324 -20.007 1.00 43.34 C ATOM 384 C ASP A 138 9.991 -8.064 -19.506 1.00 2.11 C ATOM 385 O ASP A 138 9.795 -7.449 -18.457 1.00 55.23 O ATOM 386 CB ASP A 138 11.934 -9.639 -19.430 1.00 10.21 C ATOM 387 CG ASP A 138 12.639 -10.487 -20.470 1.00 4.11 C ATOM 388 OD1 ASP A 138 12.014 -10.799 -21.505 1.00 32.42 O ATOM 389 OD2 ASP A 138 13.817 -10.837 -20.249 1.00 63.43 O ATOM 0 H ASP A 138 12.484 -7.140 -18.651 1.00 53.02 H new ATOM 0 HA ASP A 138 11.381 -8.399 -21.094 1.00 43.34 H new ATOM 0 HB2 ASP A 138 12.623 -9.424 -18.613 1.00 10.21 H new ATOM 0 HB3 ASP A 138 11.104 -10.204 -19.007 1.00 10.21 H new ATOM 394 N THR A 139 9.005 -8.536 -20.263 1.00 2.14 N ATOM 395 CA THR A 139 7.606 -8.353 -19.897 1.00 3.03 C ATOM 396 C THR A 139 7.217 -9.267 -18.740 1.00 55.44 C ATOM 397 O THR A 139 6.445 -8.879 -17.862 1.00 45.41 O ATOM 398 CB THR A 139 6.673 -8.628 -21.091 1.00 32.04 C ATOM 399 OG1 THR A 139 5.308 -8.446 -20.697 1.00 70.14 O ATOM 400 CG2 THR A 139 6.870 -10.041 -21.617 1.00 70.44 C ATOM 0 H THR A 139 9.150 -9.048 -21.133 1.00 2.14 H new ATOM 0 HA THR A 139 7.492 -7.314 -19.589 1.00 3.03 H new ATOM 0 HB THR A 139 6.919 -7.924 -21.886 1.00 32.04 H new ATOM 0 HG1 THR A 139 4.721 -8.621 -21.462 1.00 70.14 H new ATOM 0 HG21 THR A 139 6.200 -10.212 -22.460 1.00 70.44 H new ATOM 0 HG22 THR A 139 7.903 -10.167 -21.942 1.00 70.44 H new ATOM 0 HG23 THR A 139 6.648 -10.758 -20.826 1.00 70.44 H new ATOM 408 N HIS A 140 7.754 -10.482 -18.745 1.00 63.34 N ATOM 409 CA HIS A 140 7.463 -11.451 -17.695 1.00 61.40 C ATOM 410 C HIS A 140 8.422 -11.284 -16.520 1.00 13.50 C ATOM 411 O HIS A 140 8.395 -12.064 -15.568 1.00 42.13 O ATOM 412 CB HIS A 140 7.557 -12.875 -18.245 1.00 54.11 C ATOM 413 CG HIS A 140 6.333 -13.311 -18.991 1.00 11.53 C ATOM 414 ND1 HIS A 140 6.319 -14.389 -19.849 1.00 71.34 N ATOM 415 CD2 HIS A 140 5.076 -12.807 -19.001 1.00 65.00 C ATOM 416 CE1 HIS A 140 5.107 -14.529 -20.357 1.00 64.51 C ATOM 417 NE2 HIS A 140 4.334 -13.582 -19.858 1.00 3.01 N ATOM 0 H HIS A 140 8.393 -10.819 -19.465 1.00 63.34 H new ATOM 0 HA HIS A 140 6.448 -11.272 -17.342 1.00 61.40 H new ATOM 0 HB2 HIS A 140 8.420 -12.944 -18.907 1.00 54.11 H new ATOM 0 HB3 HIS A 140 7.734 -13.564 -17.419 1.00 54.11 H new ATOM 0 HD2 HIS A 140 4.723 -11.955 -18.440 1.00 65.00 H new ATOM 0 HE1 HIS A 140 4.801 -15.289 -21.061 1.00 64.51 H new ATOM 0 HE2 HIS A 140 3.346 -13.448 -20.074 1.00 3.01 H new ATOM 425 N SER A 141 9.268 -10.261 -16.594 1.00 53.00 N ATOM 426 CA SER A 141 10.238 -9.994 -15.539 1.00 11.42 C ATOM 427 C SER A 141 9.978 -8.636 -14.893 1.00 41.22 C ATOM 428 O SER A 141 10.021 -8.499 -13.671 1.00 1.03 O ATOM 429 CB SER A 141 11.660 -10.040 -16.101 1.00 1.03 C ATOM 430 OG SER A 141 11.841 -11.168 -16.939 1.00 32.43 O ATOM 0 H SER A 141 9.301 -9.604 -17.373 1.00 53.00 H new ATOM 0 HA SER A 141 10.131 -10.766 -14.777 1.00 11.42 H new ATOM 0 HB2 SER A 141 11.861 -9.129 -16.664 1.00 1.03 H new ATOM 0 HB3 SER A 141 12.377 -10.073 -15.281 1.00 1.03 H new ATOM 0 HG SER A 141 12.757 -11.173 -17.287 1.00 32.43 H new ATOM 436 N SER A 142 9.708 -7.634 -15.725 1.00 23.45 N ATOM 437 CA SER A 142 9.445 -6.286 -15.237 1.00 1.35 C ATOM 438 C SER A 142 10.586 -5.796 -14.350 1.00 65.24 C ATOM 439 O SER A 142 10.391 -4.954 -13.475 1.00 53.35 O ATOM 440 CB SER A 142 8.129 -6.250 -14.458 1.00 34.21 C ATOM 441 OG SER A 142 7.019 -6.173 -15.336 1.00 12.32 O ATOM 0 H SER A 142 9.666 -7.731 -16.739 1.00 23.45 H new ATOM 0 HA SER A 142 9.368 -5.624 -16.099 1.00 1.35 H new ATOM 0 HB2 SER A 142 8.045 -7.143 -13.838 1.00 34.21 H new ATOM 0 HB3 SER A 142 8.124 -5.393 -13.785 1.00 34.21 H new ATOM 0 HG SER A 142 6.190 -6.153 -14.814 1.00 12.32 H new ATOM 447 N GLY A 143 11.781 -6.332 -14.584 1.00 52.24 N ATOM 448 CA GLY A 143 12.937 -5.939 -13.800 1.00 52.52 C ATOM 449 C GLY A 143 14.082 -5.446 -14.662 1.00 60.04 C ATOM 450 O GLY A 143 14.001 -5.474 -15.891 1.00 13.35 O ATOM 0 H GLY A 143 11.968 -7.031 -15.303 1.00 52.24 H new ATOM 0 HA2 GLY A 143 12.648 -5.154 -13.101 1.00 52.52 H new ATOM 0 HA3 GLY A 143 13.274 -6.788 -13.205 1.00 52.52 H new ATOM 454 N VAL A 144 15.153 -4.992 -14.019 1.00 12.03 N ATOM 455 CA VAL A 144 16.320 -4.490 -14.735 1.00 34.34 C ATOM 456 C VAL A 144 17.579 -5.249 -14.333 1.00 22.24 C ATOM 457 O VAL A 144 18.068 -5.111 -13.212 1.00 4.21 O ATOM 458 CB VAL A 144 16.534 -2.987 -14.475 1.00 21.31 C ATOM 459 CG1 VAL A 144 17.639 -2.443 -15.368 1.00 31.34 C ATOM 460 CG2 VAL A 144 15.238 -2.220 -14.689 1.00 1.13 C ATOM 0 H VAL A 144 15.237 -4.961 -13.003 1.00 12.03 H new ATOM 0 HA VAL A 144 16.130 -4.644 -15.797 1.00 34.34 H new ATOM 0 HB VAL A 144 16.840 -2.855 -13.437 1.00 21.31 H new ATOM 0 HG11 VAL A 144 17.776 -1.380 -15.170 1.00 31.34 H new ATOM 0 HG12 VAL A 144 18.568 -2.973 -15.161 1.00 31.34 H new ATOM 0 HG13 VAL A 144 17.365 -2.585 -16.413 1.00 31.34 H new ATOM 0 HG21 VAL A 144 15.407 -1.160 -14.501 1.00 1.13 H new ATOM 0 HG22 VAL A 144 14.900 -2.357 -15.716 1.00 1.13 H new ATOM 0 HG23 VAL A 144 14.477 -2.593 -14.003 1.00 1.13 H new ATOM 470 N ALA A 145 18.100 -6.051 -15.255 1.00 61.24 N ATOM 471 CA ALA A 145 19.305 -6.831 -14.998 1.00 53.53 C ATOM 472 C ALA A 145 20.456 -5.933 -14.557 1.00 15.24 C ATOM 473 O ALA A 145 20.575 -4.792 -15.006 1.00 23.34 O ATOM 474 CB ALA A 145 19.696 -7.622 -16.238 1.00 12.05 C ATOM 0 H ALA A 145 17.707 -6.178 -16.187 1.00 61.24 H new ATOM 0 HA ALA A 145 19.091 -7.528 -14.188 1.00 53.53 H new ATOM 0 HB1 ALA A 145 20.597 -8.200 -16.032 1.00 12.05 H new ATOM 0 HB2 ALA A 145 18.885 -8.298 -16.509 1.00 12.05 H new ATOM 0 HB3 ALA A 145 19.886 -6.935 -17.063 1.00 12.05 H new ATOM 480 N THR A 146 21.301 -6.454 -13.673 1.00 2.10 N ATOM 481 CA THR A 146 22.441 -5.699 -13.169 1.00 64.00 C ATOM 482 C THR A 146 23.708 -6.030 -13.949 1.00 64.33 C ATOM 483 O THR A 146 24.528 -5.154 -14.222 1.00 70.42 O ATOM 484 CB THR A 146 22.685 -5.980 -11.674 1.00 54.31 C ATOM 485 OG1 THR A 146 23.310 -7.258 -11.511 1.00 14.41 O ATOM 486 CG2 THR A 146 21.377 -5.946 -10.898 1.00 31.25 C ATOM 0 H THR A 146 21.217 -7.396 -13.291 1.00 2.10 H new ATOM 0 HA THR A 146 22.202 -4.643 -13.299 1.00 64.00 H new ATOM 0 HB THR A 146 23.342 -5.203 -11.283 1.00 54.31 H new ATOM 0 HG1 THR A 146 23.607 -7.361 -10.583 1.00 14.41 H new ATOM 0 HG21 THR A 146 21.573 -6.147 -9.845 1.00 31.25 H new ATOM 0 HG22 THR A 146 20.919 -4.962 -11.000 1.00 31.25 H new ATOM 0 HG23 THR A 146 20.700 -6.704 -11.292 1.00 31.25 H new ATOM 494 N GLY A 147 23.863 -7.302 -14.307 1.00 15.23 N ATOM 495 CA GLY A 147 25.033 -7.726 -15.053 1.00 55.11 C ATOM 496 C GLY A 147 25.742 -8.897 -14.402 1.00 44.55 C ATOM 497 O GLY A 147 26.413 -9.678 -15.078 1.00 0.43 O ATOM 0 H GLY A 147 23.199 -8.046 -14.093 1.00 15.23 H new ATOM 0 HA2 GLY A 147 24.735 -8.002 -16.064 1.00 55.11 H new ATOM 0 HA3 GLY A 147 25.726 -6.890 -15.142 1.00 55.11 H new ATOM 501 N ARG A 148 25.597 -9.018 -13.087 1.00 74.01 N ATOM 502 CA ARG A 148 26.232 -10.100 -12.345 1.00 33.23 C ATOM 503 C ARG A 148 25.396 -11.375 -12.420 1.00 10.42 C ATOM 504 O ARG A 148 24.169 -11.321 -12.506 1.00 32.01 O ATOM 505 CB ARG A 148 26.433 -9.695 -10.883 1.00 62.14 C ATOM 506 CG ARG A 148 27.466 -10.539 -10.154 1.00 41.23 C ATOM 507 CD ARG A 148 28.084 -9.780 -8.990 1.00 43.15 C ATOM 508 NE ARG A 148 29.161 -8.894 -9.425 1.00 11.11 N ATOM 509 CZ ARG A 148 30.401 -9.306 -9.664 1.00 31.45 C ATOM 510 NH1 ARG A 148 30.719 -10.584 -9.511 1.00 72.51 N ATOM 511 NH2 ARG A 148 31.326 -8.440 -10.056 1.00 13.40 N ATOM 0 H ARG A 148 25.045 -8.380 -12.513 1.00 74.01 H new ATOM 0 HA ARG A 148 27.204 -10.296 -12.798 1.00 33.23 H new ATOM 0 HB2 ARG A 148 26.737 -8.649 -10.843 1.00 62.14 H new ATOM 0 HB3 ARG A 148 25.480 -9.770 -10.360 1.00 62.14 H new ATOM 0 HG2 ARG A 148 26.998 -11.452 -9.787 1.00 41.23 H new ATOM 0 HG3 ARG A 148 28.249 -10.840 -10.850 1.00 41.23 H new ATOM 0 HD2 ARG A 148 27.313 -9.195 -8.489 1.00 43.15 H new ATOM 0 HD3 ARG A 148 28.471 -10.490 -8.259 1.00 43.15 H new ATOM 0 HE ARG A 148 28.949 -7.904 -9.552 1.00 11.11 H new ATOM 0 HH11 ARG A 148 30.011 -11.253 -9.209 1.00 72.51 H new ATOM 0 HH12 ARG A 148 31.672 -10.898 -9.695 1.00 72.51 H new ATOM 0 HH21 ARG A 148 31.086 -7.456 -10.174 1.00 13.40 H new ATOM 0 HH22 ARG A 148 32.278 -8.758 -10.239 1.00 13.40 H new ATOM 525 N CYS A 149 26.069 -12.520 -12.387 1.00 51.01 N ATOM 526 CA CYS A 149 25.390 -13.808 -12.452 1.00 70.54 C ATOM 527 C CYS A 149 25.714 -14.657 -11.226 1.00 43.12 C ATOM 528 O CYS A 149 26.820 -14.594 -10.689 1.00 64.43 O ATOM 529 CB CYS A 149 25.792 -14.557 -13.725 1.00 4.32 C ATOM 530 SG CYS A 149 24.734 -15.988 -14.112 1.00 21.01 S ATOM 0 H CYS A 149 27.085 -12.582 -12.316 1.00 51.01 H new ATOM 0 HA CYS A 149 24.316 -13.623 -12.471 1.00 70.54 H new ATOM 0 HB2 CYS A 149 25.767 -13.863 -14.565 1.00 4.32 H new ATOM 0 HB3 CYS A 149 26.822 -14.898 -13.623 1.00 4.32 H new ATOM 535 N VAL A 150 24.742 -15.450 -10.788 1.00 73.34 N ATOM 536 CA VAL A 150 24.923 -16.313 -9.627 1.00 2.32 C ATOM 537 C VAL A 150 24.119 -17.600 -9.767 1.00 64.44 C ATOM 538 O VAL A 150 23.024 -17.620 -10.330 1.00 3.33 O ATOM 539 CB VAL A 150 24.506 -15.599 -8.327 1.00 74.13 C ATOM 540 CG1 VAL A 150 25.223 -14.264 -8.197 1.00 55.10 C ATOM 541 CG2 VAL A 150 22.997 -15.410 -8.285 1.00 52.21 C ATOM 0 H VAL A 150 23.820 -15.513 -11.220 1.00 73.34 H new ATOM 0 HA VAL A 150 25.984 -16.556 -9.576 1.00 2.32 H new ATOM 0 HB VAL A 150 24.795 -16.223 -7.481 1.00 74.13 H new ATOM 0 HG11 VAL A 150 24.916 -13.774 -7.273 1.00 55.10 H new ATOM 0 HG12 VAL A 150 26.300 -14.430 -8.179 1.00 55.10 H new ATOM 0 HG13 VAL A 150 24.968 -13.630 -9.046 1.00 55.10 H new ATOM 0 HG21 VAL A 150 22.719 -14.904 -7.360 1.00 52.21 H new ATOM 0 HG22 VAL A 150 22.682 -14.807 -9.137 1.00 52.21 H new ATOM 0 HG23 VAL A 150 22.507 -16.383 -8.328 1.00 52.21 H new ATOM 551 N PRO A 151 24.674 -18.704 -9.244 1.00 71.14 N ATOM 552 CA PRO A 151 24.025 -20.017 -9.298 1.00 21.50 C ATOM 553 C PRO A 151 22.794 -20.093 -8.402 1.00 13.22 C ATOM 554 O PRO A 151 22.870 -20.551 -7.262 1.00 24.13 O ATOM 555 CB PRO A 151 25.112 -20.971 -8.795 1.00 12.24 C ATOM 556 CG PRO A 151 25.992 -20.125 -7.941 1.00 12.14 C ATOM 557 CD PRO A 151 25.977 -18.755 -8.560 1.00 13.42 C ATOM 0 HA PRO A 151 23.662 -20.251 -10.299 1.00 21.50 H new ATOM 0 HB2 PRO A 151 24.683 -21.796 -8.226 1.00 12.24 H new ATOM 0 HB3 PRO A 151 25.668 -21.410 -9.623 1.00 12.24 H new ATOM 0 HG2 PRO A 151 25.626 -20.093 -6.915 1.00 12.14 H new ATOM 0 HG3 PRO A 151 27.005 -20.526 -7.906 1.00 12.14 H new ATOM 0 HD2 PRO A 151 26.066 -17.973 -7.806 1.00 13.42 H new ATOM 0 HD3 PRO A 151 26.803 -18.621 -9.258 1.00 13.42 H new ATOM 565 N PHE A 152 21.659 -19.641 -8.924 1.00 54.54 N ATOM 566 CA PHE A 152 20.410 -19.656 -8.171 1.00 23.41 C ATOM 567 C PHE A 152 20.138 -21.045 -7.599 1.00 52.50 C ATOM 568 O PHE A 152 19.568 -21.181 -6.517 1.00 45.21 O ATOM 569 CB PHE A 152 19.246 -19.222 -9.063 1.00 74.44 C ATOM 570 CG PHE A 152 18.026 -18.800 -8.295 1.00 23.33 C ATOM 571 CD1 PHE A 152 17.279 -19.730 -7.590 1.00 23.04 C ATOM 572 CD2 PHE A 152 17.627 -17.474 -8.278 1.00 12.43 C ATOM 573 CE1 PHE A 152 16.157 -19.345 -6.881 1.00 12.12 C ATOM 574 CE2 PHE A 152 16.506 -17.083 -7.570 1.00 53.54 C ATOM 575 CZ PHE A 152 15.769 -18.019 -6.872 1.00 61.42 C ATOM 0 H PHE A 152 21.578 -19.259 -9.866 1.00 54.54 H new ATOM 0 HA PHE A 152 20.505 -18.953 -7.343 1.00 23.41 H new ATOM 0 HB2 PHE A 152 19.572 -18.395 -9.695 1.00 74.44 H new ATOM 0 HB3 PHE A 152 18.981 -20.045 -9.727 1.00 74.44 H new ATOM 0 HD1 PHE A 152 17.577 -20.768 -7.595 1.00 23.04 H new ATOM 0 HD2 PHE A 152 18.198 -16.737 -8.824 1.00 12.43 H new ATOM 0 HE1 PHE A 152 15.584 -20.080 -6.335 1.00 12.12 H new ATOM 0 HE2 PHE A 152 16.207 -16.045 -7.563 1.00 53.54 H new ATOM 0 HZ PHE A 152 14.892 -17.715 -6.320 1.00 61.42 H new ATOM 585 N ASN A 153 20.548 -22.072 -8.335 1.00 64.21 N ATOM 586 CA ASN A 153 20.348 -23.451 -7.903 1.00 10.54 C ATOM 587 C ASN A 153 21.657 -24.233 -7.955 1.00 12.24 C ATOM 588 O ASN A 153 22.718 -23.668 -8.217 1.00 22.14 O ATOM 589 CB ASN A 153 19.297 -24.134 -8.779 1.00 71.33 C ATOM 590 CG ASN A 153 17.938 -23.470 -8.677 1.00 53.42 C ATOM 591 OD1 ASN A 153 17.293 -23.191 -9.688 1.00 71.44 O ATOM 592 ND2 ASN A 153 17.496 -23.212 -7.452 1.00 0.53 N ATOM 0 H ASN A 153 21.021 -21.976 -9.234 1.00 64.21 H new ATOM 0 HA ASN A 153 19.996 -23.435 -6.871 1.00 10.54 H new ATOM 0 HB2 ASN A 153 19.628 -24.119 -9.817 1.00 71.33 H new ATOM 0 HB3 ASN A 153 19.210 -25.181 -8.487 1.00 71.33 H new ATOM 0 HD21 ASN A 153 16.588 -22.765 -7.321 1.00 0.53 H new ATOM 0 HD22 ASN A 153 18.064 -23.460 -6.642 1.00 0.53 H new ATOM 599 N GLU A 154 21.572 -25.536 -7.704 1.00 13.53 N ATOM 600 CA GLU A 154 22.750 -26.395 -7.722 1.00 13.20 C ATOM 601 C GLU A 154 23.165 -26.719 -9.154 1.00 55.03 C ATOM 602 O GLU A 154 24.346 -26.911 -9.441 1.00 70.32 O ATOM 603 CB GLU A 154 22.476 -27.689 -6.953 1.00 61.22 C ATOM 604 CG GLU A 154 23.735 -28.375 -6.449 1.00 73.55 C ATOM 605 CD GLU A 154 23.447 -29.710 -5.790 1.00 61.41 C ATOM 606 OE1 GLU A 154 22.301 -30.193 -5.902 1.00 21.24 O ATOM 607 OE2 GLU A 154 24.369 -30.272 -5.162 1.00 63.14 O ATOM 0 H GLU A 154 20.700 -26.019 -7.486 1.00 13.53 H new ATOM 0 HA GLU A 154 23.567 -25.859 -7.238 1.00 13.20 H new ATOM 0 HB2 GLU A 154 21.828 -27.468 -6.105 1.00 61.22 H new ATOM 0 HB3 GLU A 154 21.931 -28.377 -7.599 1.00 61.22 H new ATOM 0 HG2 GLU A 154 24.421 -28.526 -7.283 1.00 73.55 H new ATOM 0 HG3 GLU A 154 24.239 -27.723 -5.736 1.00 73.55 H new ATOM 614 N SER A 155 22.184 -26.778 -10.049 1.00 75.42 N ATOM 615 CA SER A 155 22.445 -27.084 -11.451 1.00 10.41 C ATOM 616 C SER A 155 22.059 -25.908 -12.344 1.00 34.50 C ATOM 617 O SER A 155 22.609 -25.732 -13.431 1.00 24.32 O ATOM 618 CB SER A 155 21.675 -28.336 -11.874 1.00 55.45 C ATOM 619 OG SER A 155 22.346 -29.512 -11.460 1.00 23.41 O ATOM 0 H SER A 155 21.201 -26.618 -9.828 1.00 75.42 H new ATOM 0 HA SER A 155 23.513 -27.269 -11.565 1.00 10.41 H new ATOM 0 HB2 SER A 155 20.674 -28.314 -11.443 1.00 55.45 H new ATOM 0 HB3 SER A 155 21.555 -28.344 -12.957 1.00 55.45 H new ATOM 0 HG SER A 155 21.832 -30.298 -11.741 1.00 23.41 H new ATOM 625 N VAL A 156 21.107 -25.106 -11.877 1.00 60.31 N ATOM 626 CA VAL A 156 20.646 -23.947 -12.631 1.00 43.25 C ATOM 627 C VAL A 156 21.243 -22.658 -12.077 1.00 71.01 C ATOM 628 O VAL A 156 21.543 -22.561 -10.887 1.00 30.11 O ATOM 629 CB VAL A 156 19.110 -23.839 -12.612 1.00 0.44 C ATOM 630 CG1 VAL A 156 18.639 -22.753 -13.567 1.00 53.01 C ATOM 631 CG2 VAL A 156 18.477 -25.178 -12.959 1.00 45.42 C ATOM 0 H VAL A 156 20.640 -25.238 -10.980 1.00 60.31 H new ATOM 0 HA VAL A 156 20.980 -24.086 -13.659 1.00 43.25 H new ATOM 0 HB VAL A 156 18.795 -23.565 -11.605 1.00 0.44 H new ATOM 0 HG11 VAL A 156 17.551 -22.691 -13.540 1.00 53.01 H new ATOM 0 HG12 VAL A 156 19.064 -21.795 -13.267 1.00 53.01 H new ATOM 0 HG13 VAL A 156 18.964 -22.993 -14.579 1.00 53.01 H new ATOM 0 HG21 VAL A 156 17.391 -25.083 -12.941 1.00 45.42 H new ATOM 0 HG22 VAL A 156 18.798 -25.485 -13.955 1.00 45.42 H new ATOM 0 HG23 VAL A 156 18.788 -25.927 -12.231 1.00 45.42 H new ATOM 641 N LYS A 157 21.412 -21.669 -12.948 1.00 3.34 N ATOM 642 CA LYS A 157 21.971 -20.383 -12.546 1.00 65.24 C ATOM 643 C LYS A 157 21.231 -19.233 -13.222 1.00 65.21 C ATOM 644 O LYS A 157 20.802 -19.347 -14.371 1.00 3.51 O ATOM 645 CB LYS A 157 23.460 -20.320 -12.895 1.00 23.41 C ATOM 646 CG LYS A 157 23.743 -20.451 -14.381 1.00 61.35 C ATOM 647 CD LYS A 157 25.203 -20.780 -14.645 1.00 1.15 C ATOM 648 CE LYS A 157 25.427 -21.210 -16.086 1.00 75.51 C ATOM 649 NZ LYS A 157 24.663 -22.444 -16.421 1.00 73.13 N ATOM 0 H LYS A 157 21.170 -21.733 -13.937 1.00 3.34 H new ATOM 0 HA LYS A 157 21.852 -20.284 -11.467 1.00 65.24 H new ATOM 0 HB2 LYS A 157 23.868 -19.375 -12.538 1.00 23.41 H new ATOM 0 HB3 LYS A 157 23.983 -21.114 -12.363 1.00 23.41 H new ATOM 0 HG2 LYS A 157 23.111 -21.231 -14.805 1.00 61.35 H new ATOM 0 HG3 LYS A 157 23.482 -19.521 -14.885 1.00 61.35 H new ATOM 0 HD2 LYS A 157 25.819 -19.908 -14.425 1.00 1.15 H new ATOM 0 HD3 LYS A 157 25.525 -21.575 -13.973 1.00 1.15 H new ATOM 0 HE2 LYS A 157 25.128 -20.404 -16.756 1.00 75.51 H new ATOM 0 HE3 LYS A 157 26.490 -21.385 -16.252 1.00 75.51 H new ATOM 0 HZ1 LYS A 157 25.102 -22.912 -17.240 1.00 73.13 H new ATOM 0 HZ2 LYS A 157 24.673 -23.090 -15.606 1.00 73.13 H new ATOM 0 HZ3 LYS A 157 23.681 -22.192 -16.652 1.00 73.13 H new ATOM 663 N THR A 158 21.086 -18.125 -12.503 1.00 1.25 N ATOM 664 CA THR A 158 20.399 -16.954 -13.033 1.00 34.25 C ATOM 665 C THR A 158 21.235 -15.694 -12.845 1.00 41.44 C ATOM 666 O THR A 158 22.309 -15.732 -12.244 1.00 61.42 O ATOM 667 CB THR A 158 19.029 -16.753 -12.357 1.00 2.15 C ATOM 668 OG1 THR A 158 18.612 -17.968 -11.723 1.00 43.33 O ATOM 669 CG2 THR A 158 17.983 -16.319 -13.372 1.00 71.41 C ATOM 0 H THR A 158 21.435 -18.014 -11.551 1.00 1.25 H new ATOM 0 HA THR A 158 20.248 -17.131 -14.098 1.00 34.25 H new ATOM 0 HB THR A 158 19.131 -15.969 -11.607 1.00 2.15 H new ATOM 0 HG1 THR A 158 17.797 -17.803 -11.204 1.00 43.33 H new ATOM 0 HG21 THR A 158 17.024 -16.183 -12.871 1.00 71.41 H new ATOM 0 HG22 THR A 158 18.289 -15.379 -13.830 1.00 71.41 H new ATOM 0 HG23 THR A 158 17.885 -17.083 -14.143 1.00 71.41 H new ATOM 677 N CYS A 159 20.737 -14.576 -13.363 1.00 75.02 N ATOM 678 CA CYS A 159 21.438 -13.303 -13.253 1.00 54.52 C ATOM 679 C CYS A 159 20.684 -12.344 -12.335 1.00 71.24 C ATOM 680 O CYS A 159 19.489 -12.512 -12.093 1.00 62.25 O ATOM 681 CB CYS A 159 21.612 -12.671 -14.636 1.00 35.11 C ATOM 682 SG CYS A 159 23.340 -12.595 -15.207 1.00 31.35 S ATOM 0 H CYS A 159 19.850 -14.526 -13.864 1.00 75.02 H new ATOM 0 HA CYS A 159 22.421 -13.494 -12.822 1.00 54.52 H new ATOM 0 HB2 CYS A 159 21.026 -13.238 -15.359 1.00 35.11 H new ATOM 0 HB3 CYS A 159 21.202 -11.661 -14.616 1.00 35.11 H new ATOM 687 N GLU A 160 21.392 -11.339 -11.828 1.00 74.54 N ATOM 688 CA GLU A 160 20.789 -10.355 -10.937 1.00 62.02 C ATOM 689 C GLU A 160 19.863 -9.418 -11.708 1.00 21.33 C ATOM 690 O GLU A 160 20.152 -9.035 -12.841 1.00 63.34 O ATOM 691 CB GLU A 160 21.876 -9.545 -10.227 1.00 33.12 C ATOM 692 CG GLU A 160 21.894 -9.741 -8.720 1.00 61.52 C ATOM 693 CD GLU A 160 22.339 -11.135 -8.319 1.00 14.42 C ATOM 694 OE1 GLU A 160 22.901 -11.847 -9.177 1.00 31.35 O ATOM 695 OE2 GLU A 160 22.124 -11.512 -7.148 1.00 62.11 O ATOM 0 H GLU A 160 22.382 -11.185 -12.019 1.00 74.54 H new ATOM 0 HA GLU A 160 20.199 -10.889 -10.193 1.00 62.02 H new ATOM 0 HB2 GLU A 160 22.849 -9.824 -10.633 1.00 33.12 H new ATOM 0 HB3 GLU A 160 21.730 -8.487 -10.446 1.00 33.12 H new ATOM 0 HG2 GLU A 160 22.562 -9.007 -8.270 1.00 61.52 H new ATOM 0 HG3 GLU A 160 20.897 -9.553 -8.321 1.00 61.52 H new ATOM 702 N VAL A 161 18.747 -9.054 -11.084 1.00 5.42 N ATOM 703 CA VAL A 161 17.778 -8.162 -11.709 1.00 44.42 C ATOM 704 C VAL A 161 17.052 -7.321 -10.666 1.00 12.25 C ATOM 705 O VAL A 161 16.794 -7.780 -9.554 1.00 34.44 O ATOM 706 CB VAL A 161 16.741 -8.948 -12.532 1.00 34.43 C ATOM 707 CG1 VAL A 161 16.012 -9.953 -11.652 1.00 11.42 C ATOM 708 CG2 VAL A 161 15.757 -7.998 -13.197 1.00 41.31 C ATOM 0 H VAL A 161 18.492 -9.363 -10.146 1.00 5.42 H new ATOM 0 HA VAL A 161 18.337 -7.505 -12.375 1.00 44.42 H new ATOM 0 HB VAL A 161 17.265 -9.498 -13.314 1.00 34.43 H new ATOM 0 HG11 VAL A 161 15.283 -10.499 -12.251 1.00 11.42 H new ATOM 0 HG12 VAL A 161 16.731 -10.654 -11.227 1.00 11.42 H new ATOM 0 HG13 VAL A 161 15.499 -9.427 -10.847 1.00 11.42 H new ATOM 0 HG21 VAL A 161 15.032 -8.571 -13.774 1.00 41.31 H new ATOM 0 HG22 VAL A 161 15.237 -7.419 -12.433 1.00 41.31 H new ATOM 0 HG23 VAL A 161 16.296 -7.322 -13.861 1.00 41.31 H new ATOM 718 N ALA A 162 16.724 -6.086 -11.032 1.00 62.11 N ATOM 719 CA ALA A 162 16.025 -5.181 -10.128 1.00 72.24 C ATOM 720 C ALA A 162 14.525 -5.180 -10.405 1.00 42.42 C ATOM 721 O ALA A 162 14.069 -4.618 -11.400 1.00 52.24 O ATOM 722 CB ALA A 162 16.588 -3.773 -10.252 1.00 13.05 C ATOM 0 H ALA A 162 16.931 -5.689 -11.949 1.00 62.11 H new ATOM 0 HA ALA A 162 16.179 -5.533 -9.108 1.00 72.24 H new ATOM 0 HB1 ALA A 162 16.057 -3.108 -9.571 1.00 13.05 H new ATOM 0 HB2 ALA A 162 17.648 -3.781 -9.998 1.00 13.05 H new ATOM 0 HB3 ALA A 162 16.463 -3.420 -11.276 1.00 13.05 H new ATOM 728 N ALA A 163 13.764 -5.812 -9.519 1.00 31.45 N ATOM 729 CA ALA A 163 12.316 -5.882 -9.667 1.00 74.42 C ATOM 730 C ALA A 163 11.630 -6.009 -8.311 1.00 10.00 C ATOM 731 O ALA A 163 12.276 -5.916 -7.267 1.00 63.04 O ATOM 732 CB ALA A 163 11.933 -7.050 -10.565 1.00 40.31 C ATOM 0 H ALA A 163 14.126 -6.283 -8.690 1.00 31.45 H new ATOM 0 HA ALA A 163 11.978 -4.955 -10.130 1.00 74.42 H new ATOM 0 HB1 ALA A 163 10.849 -7.090 -10.667 1.00 40.31 H new ATOM 0 HB2 ALA A 163 12.385 -6.917 -11.548 1.00 40.31 H new ATOM 0 HB3 ALA A 163 12.291 -7.980 -10.124 1.00 40.31 H new ATOM 738 N TRP A 164 10.319 -6.221 -8.334 1.00 1.43 N ATOM 739 CA TRP A 164 9.546 -6.359 -7.105 1.00 1.04 C ATOM 740 C TRP A 164 9.719 -7.751 -6.507 1.00 11.23 C ATOM 741 O TRP A 164 9.159 -8.726 -7.007 1.00 74.44 O ATOM 742 CB TRP A 164 8.065 -6.087 -7.376 1.00 25.12 C ATOM 743 CG TRP A 164 7.176 -6.440 -6.222 1.00 51.42 C ATOM 744 CD1 TRP A 164 6.042 -7.200 -6.264 1.00 23.10 C ATOM 745 CD2 TRP A 164 7.346 -6.043 -4.857 1.00 35.31 C ATOM 746 NE1 TRP A 164 5.497 -7.300 -5.007 1.00 30.53 N ATOM 747 CE2 TRP A 164 6.278 -6.600 -4.126 1.00 21.42 C ATOM 748 CE3 TRP A 164 8.296 -5.274 -4.181 1.00 20.15 C ATOM 749 CZ2 TRP A 164 6.137 -6.410 -2.754 1.00 33.22 C ATOM 750 CZ3 TRP A 164 8.154 -5.086 -2.819 1.00 21.01 C ATOM 751 CH2 TRP A 164 7.082 -5.653 -2.117 1.00 52.41 C ATOM 0 H TRP A 164 9.769 -6.301 -9.190 1.00 1.43 H new ATOM 0 HA TRP A 164 9.917 -5.627 -6.388 1.00 1.04 H new ATOM 0 HB2 TRP A 164 7.935 -5.032 -7.616 1.00 25.12 H new ATOM 0 HB3 TRP A 164 7.753 -6.655 -8.253 1.00 25.12 H new ATOM 0 HD1 TRP A 164 5.634 -7.655 -7.154 1.00 23.10 H new ATOM 0 HE1 TRP A 164 4.648 -7.813 -4.768 1.00 30.53 H new ATOM 0 HE3 TRP A 164 9.127 -4.834 -4.713 1.00 20.15 H new ATOM 0 HZ2 TRP A 164 5.311 -6.845 -2.212 1.00 33.22 H new ATOM 0 HZ3 TRP A 164 8.882 -4.492 -2.287 1.00 21.01 H new ATOM 0 HH2 TRP A 164 7.000 -5.489 -1.053 1.00 52.41 H new ATOM 762 N CYS A 165 10.497 -7.836 -5.433 1.00 62.41 N ATOM 763 CA CYS A 165 10.744 -9.109 -4.767 1.00 22.34 C ATOM 764 C CYS A 165 11.039 -8.899 -3.284 1.00 40.22 C ATOM 765 O CYS A 165 11.517 -7.845 -2.864 1.00 52.43 O ATOM 766 CB CYS A 165 11.913 -9.839 -5.432 1.00 10.23 C ATOM 767 SG CYS A 165 13.542 -9.097 -5.093 1.00 70.12 S ATOM 0 H CYS A 165 10.967 -7.038 -5.005 1.00 62.41 H new ATOM 0 HA CYS A 165 9.845 -9.718 -4.858 1.00 22.34 H new ATOM 0 HB2 CYS A 165 11.920 -10.875 -5.094 1.00 10.23 H new ATOM 0 HB3 CYS A 165 11.751 -9.857 -6.510 1.00 10.23 H new ATOM 772 N PRO A 166 10.748 -9.926 -2.472 1.00 2.54 N ATOM 773 CA PRO A 166 10.974 -9.878 -1.024 1.00 64.00 C ATOM 774 C PRO A 166 12.457 -9.889 -0.668 1.00 62.14 C ATOM 775 O PRO A 166 13.317 -9.841 -1.548 1.00 23.31 O ATOM 776 CB PRO A 166 10.293 -11.152 -0.517 1.00 3.54 C ATOM 777 CG PRO A 166 10.308 -12.079 -1.682 1.00 64.31 C ATOM 778 CD PRO A 166 10.177 -11.212 -2.903 1.00 74.05 C ATOM 0 HA PRO A 166 10.582 -8.963 -0.580 1.00 64.00 H new ATOM 0 HB2 PRO A 166 10.828 -11.576 0.333 1.00 3.54 H new ATOM 0 HB3 PRO A 166 9.275 -10.951 -0.184 1.00 3.54 H new ATOM 0 HG2 PRO A 166 11.233 -12.655 -1.710 1.00 64.31 H new ATOM 0 HG3 PRO A 166 9.488 -12.795 -1.622 1.00 64.31 H new ATOM 0 HD2 PRO A 166 10.720 -11.628 -3.751 1.00 74.05 H new ATOM 0 HD3 PRO A 166 9.137 -11.107 -3.211 1.00 74.05 H new ATOM 786 N VAL A 167 12.750 -9.953 0.627 1.00 40.23 N ATOM 787 CA VAL A 167 14.129 -9.972 1.099 1.00 44.24 C ATOM 788 C VAL A 167 14.351 -11.096 2.104 1.00 31.20 C ATOM 789 O VAL A 167 15.189 -10.987 2.999 1.00 42.24 O ATOM 790 CB VAL A 167 14.518 -8.631 1.750 1.00 23.41 C ATOM 791 CG1 VAL A 167 14.457 -7.504 0.731 1.00 73.34 C ATOM 792 CG2 VAL A 167 13.616 -8.336 2.939 1.00 44.11 C ATOM 0 H VAL A 167 12.050 -9.993 1.368 1.00 40.23 H new ATOM 0 HA VAL A 167 14.760 -10.140 0.226 1.00 44.24 H new ATOM 0 HB VAL A 167 15.544 -8.706 2.110 1.00 23.41 H new ATOM 0 HG11 VAL A 167 14.735 -6.565 1.210 1.00 73.34 H new ATOM 0 HG12 VAL A 167 15.148 -7.714 -0.085 1.00 73.34 H new ATOM 0 HG13 VAL A 167 13.444 -7.424 0.337 1.00 73.34 H new ATOM 0 HG21 VAL A 167 13.904 -7.385 3.387 1.00 44.11 H new ATOM 0 HG22 VAL A 167 12.580 -8.280 2.605 1.00 44.11 H new ATOM 0 HG23 VAL A 167 13.717 -9.131 3.678 1.00 44.11 H new TER 802 VAL A 167