USER MOD reduce.3.24.130724 H: found=0, std=0, add=384, rem=0, adj=16 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= -0.0959 K(o=-0.096,f=-0.88) USER MOD Single : A 112 THR OG1 : rot 105:sc= 2.05 USER MOD Single : A 113 GLN : amide:sc= -0.422 K(o=-0.42,f=-2.7!) USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD Single : A 115 THR OG1 : rot 180:sc= 0.00386 USER MOD Single : A 122 LYS NZ :NH3+ -147:sc= -0.123 (180deg=-0.547) 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 : amide:sc= -0.164 K(o=-0.16,f=0.78) USER MOD Single : A 128 SER OG : rot 180:sc= 0 USER MOD Single : A 133 THR OG1 : rot 180:sc= -0.779 USER MOD Single : A 136 SER OG : rot 180:sc= 0 USER MOD Single : A 139 THR OG1 : rot 180:sc= 0.0417 USER MOD Single : A 140 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 141 SER OG : rot 114:sc= 0.246 USER MOD Single : A 142 SER OG : rot 180:sc= 0 USER MOD Single : A 146 THR OG1 : rot 120:sc= -1.3 USER MOD Single : A 153 ASN : amide:sc= -0.397 K(o=-0.4,f=-2!) USER MOD Single : A 155 SER OG : rot 180:sc= 0 USER MOD Single : A 157 LYS NZ :NH3+ 169:sc= 0.207 (180deg=0.172) USER MOD Single : A 158 THR OG1 : rot 166:sc=-0.00283 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 110 3.936 4.875 -4.966 1.00 42.10 N ATOM 2 CA MET A 110 3.507 3.714 -4.195 1.00 71.14 C ATOM 3 C MET A 110 4.106 2.432 -4.765 1.00 74.31 C ATOM 4 O MET A 110 3.502 1.363 -4.678 1.00 73.01 O ATOM 5 CB MET A 110 1.980 3.617 -4.186 1.00 1.41 C ATOM 6 CG MET A 110 1.389 3.197 -5.522 1.00 25.42 C ATOM 7 SD MET A 110 -0.343 3.665 -5.693 1.00 73.44 S ATOM 8 CE MET A 110 -1.155 2.152 -5.183 1.00 22.33 C ATOM 0 HA MET A 110 3.862 3.837 -3.172 1.00 71.14 H new ATOM 0 HB2 MET A 110 1.674 2.902 -3.422 1.00 1.41 H new ATOM 0 HB3 MET A 110 1.565 4.584 -3.902 1.00 1.41 H new ATOM 0 HG2 MET A 110 1.965 3.651 -6.328 1.00 25.42 H new ATOM 0 HG3 MET A 110 1.482 2.117 -5.632 1.00 25.42 H new ATOM 0 HE1 MET A 110 -2.236 2.284 -5.235 1.00 22.33 H new ATOM 0 HE2 MET A 110 -0.856 1.338 -5.844 1.00 22.33 H new ATOM 0 HE3 MET A 110 -0.868 1.912 -4.159 1.00 22.33 H new ATOM 18 N GLN A 111 5.295 2.547 -5.348 1.00 34.04 N ATOM 19 CA GLN A 111 5.973 1.396 -5.932 1.00 41.32 C ATOM 20 C GLN A 111 7.183 0.995 -5.095 1.00 63.14 C ATOM 21 O GLN A 111 7.720 1.800 -4.333 1.00 35.21 O ATOM 22 CB GLN A 111 6.409 1.708 -7.365 1.00 4.33 C ATOM 23 CG GLN A 111 5.355 1.376 -8.408 1.00 20.20 C ATOM 24 CD GLN A 111 5.209 -0.116 -8.636 1.00 5.13 C ATOM 25 OE1 GLN A 111 4.539 -0.810 -7.871 1.00 13.21 O ATOM 26 NE2 GLN A 111 5.839 -0.618 -9.692 1.00 34.02 N ATOM 0 H GLN A 111 5.808 3.425 -5.428 1.00 34.04 H new ATOM 0 HA GLN A 111 5.272 0.561 -5.947 1.00 41.32 H new ATOM 0 HB2 GLN A 111 6.659 2.766 -7.437 1.00 4.33 H new ATOM 0 HB3 GLN A 111 7.318 1.150 -7.589 1.00 4.33 H new ATOM 0 HG2 GLN A 111 4.396 1.787 -8.093 1.00 20.20 H new ATOM 0 HG3 GLN A 111 5.616 1.860 -9.349 1.00 20.20 H new ATOM 0 HE21 GLN A 111 6.383 -0.006 -10.300 1.00 34.02 H new ATOM 0 HE22 GLN A 111 5.778 -1.616 -9.895 1.00 34.02 H new ATOM 35 N THR A 112 7.610 -0.256 -5.242 1.00 53.21 N ATOM 36 CA THR A 112 8.756 -0.765 -4.499 1.00 55.30 C ATOM 37 C THR A 112 9.568 -1.740 -5.342 1.00 63.43 C ATOM 38 O THR A 112 9.074 -2.797 -5.733 1.00 73.32 O ATOM 39 CB THR A 112 8.316 -1.468 -3.201 1.00 71.22 C ATOM 40 OG1 THR A 112 7.230 -2.362 -3.472 1.00 2.21 O ATOM 41 CG2 THR A 112 7.893 -0.452 -2.151 1.00 41.12 C ATOM 0 H THR A 112 7.179 -0.935 -5.869 1.00 53.21 H new ATOM 0 HA THR A 112 9.376 0.095 -4.245 1.00 55.30 H new ATOM 0 HB THR A 112 9.164 -2.033 -2.815 1.00 71.22 H new ATOM 0 HG1 THR A 112 7.556 -3.286 -3.461 1.00 2.21 H new ATOM 0 HG21 THR A 112 7.587 -0.973 -1.244 1.00 41.12 H new ATOM 0 HG22 THR A 112 8.730 0.208 -1.925 1.00 41.12 H new ATOM 0 HG23 THR A 112 7.058 0.137 -2.531 1.00 41.12 H new ATOM 49 N GLN A 113 10.817 -1.379 -5.618 1.00 62.01 N ATOM 50 CA GLN A 113 11.698 -2.224 -6.416 1.00 21.14 C ATOM 51 C GLN A 113 12.903 -2.679 -5.598 1.00 74.12 C ATOM 52 O GLN A 113 13.614 -1.861 -5.014 1.00 74.34 O ATOM 53 CB GLN A 113 12.167 -1.474 -7.663 1.00 44.22 C ATOM 54 CG GLN A 113 12.649 -0.061 -7.378 1.00 41.50 C ATOM 55 CD GLN A 113 11.519 0.950 -7.369 1.00 45.44 C ATOM 56 OE1 GLN A 113 11.028 1.341 -6.310 1.00 21.42 O ATOM 57 NE2 GLN A 113 11.101 1.381 -8.554 1.00 10.02 N ATOM 0 H GLN A 113 11.242 -0.507 -5.301 1.00 62.01 H new ATOM 0 HA GLN A 113 11.135 -3.106 -6.722 1.00 21.14 H new ATOM 0 HB2 GLN A 113 12.974 -2.036 -8.133 1.00 44.22 H new ATOM 0 HB3 GLN A 113 11.348 -1.432 -8.381 1.00 44.22 H new ATOM 0 HG2 GLN A 113 13.156 -0.042 -6.413 1.00 41.50 H new ATOM 0 HG3 GLN A 113 13.383 0.227 -8.130 1.00 41.50 H new ATOM 0 HE21 GLN A 113 11.537 1.030 -9.407 1.00 10.02 H new ATOM 0 HE22 GLN A 113 10.345 2.063 -8.611 1.00 10.02 H new ATOM 66 N SER A 114 13.126 -3.989 -5.561 1.00 14.01 N ATOM 67 CA SER A 114 14.242 -4.553 -4.811 1.00 71.34 C ATOM 68 C SER A 114 15.187 -5.315 -5.736 1.00 20.04 C ATOM 69 O SER A 114 14.897 -5.510 -6.917 1.00 5.53 O ATOM 70 CB SER A 114 13.727 -5.483 -3.711 1.00 71.21 C ATOM 71 OG SER A 114 12.598 -4.927 -3.060 1.00 53.23 O ATOM 0 H SER A 114 12.549 -4.679 -6.041 1.00 14.01 H new ATOM 0 HA SER A 114 14.793 -3.731 -4.353 1.00 71.34 H new ATOM 0 HB2 SER A 114 13.463 -6.449 -4.141 1.00 71.21 H new ATOM 0 HB3 SER A 114 14.518 -5.663 -2.983 1.00 71.21 H new ATOM 0 HG SER A 114 12.287 -5.541 -2.363 1.00 53.23 H new ATOM 77 N THR A 115 16.320 -5.745 -5.189 1.00 43.22 N ATOM 78 CA THR A 115 17.310 -6.484 -5.963 1.00 34.10 C ATOM 79 C THR A 115 17.330 -7.956 -5.566 1.00 41.23 C ATOM 80 O THR A 115 17.201 -8.294 -4.389 1.00 61.03 O ATOM 81 CB THR A 115 18.721 -5.895 -5.779 1.00 50.05 C ATOM 82 OG1 THR A 115 18.872 -5.391 -4.448 1.00 11.42 O ATOM 83 CG2 THR A 115 18.976 -4.779 -6.782 1.00 23.43 C ATOM 0 H THR A 115 16.575 -5.594 -4.213 1.00 43.22 H new ATOM 0 HA THR A 115 17.022 -6.397 -7.011 1.00 34.10 H new ATOM 0 HB THR A 115 19.448 -6.689 -5.950 1.00 50.05 H new ATOM 0 HG1 THR A 115 19.772 -5.020 -4.339 1.00 11.42 H new ATOM 0 HG21 THR A 115 19.979 -4.378 -6.633 1.00 23.43 H new ATOM 0 HG22 THR A 115 18.889 -5.173 -7.795 1.00 23.43 H new ATOM 0 HG23 THR A 115 18.243 -3.985 -6.638 1.00 23.43 H new ATOM 91 N CYS A 116 17.494 -8.828 -6.555 1.00 74.12 N ATOM 92 CA CYS A 116 17.531 -10.265 -6.310 1.00 4.31 C ATOM 93 C CYS A 116 17.808 -11.030 -7.601 1.00 12.10 C ATOM 94 O CYS A 116 17.542 -10.552 -8.704 1.00 61.12 O ATOM 95 CB CYS A 116 16.209 -10.734 -5.699 1.00 44.12 C ATOM 96 SG CYS A 116 14.730 -10.111 -6.560 1.00 71.25 S ATOM 0 H CYS A 116 17.603 -8.565 -7.534 1.00 74.12 H new ATOM 0 HA CYS A 116 18.340 -10.468 -5.608 1.00 4.31 H new ATOM 0 HB2 CYS A 116 16.186 -11.824 -5.702 1.00 44.12 H new ATOM 0 HB3 CYS A 116 16.170 -10.417 -4.657 1.00 44.12 H new ATOM 101 N PRO A 117 18.354 -12.247 -7.462 1.00 2.11 N ATOM 102 CA PRO A 117 18.678 -13.105 -8.606 1.00 10.33 C ATOM 103 C PRO A 117 17.430 -13.637 -9.303 1.00 5.23 C ATOM 104 O PRO A 117 16.469 -14.042 -8.650 1.00 4.33 O ATOM 105 CB PRO A 117 19.469 -14.253 -7.975 1.00 22.30 C ATOM 106 CG PRO A 117 19.005 -14.301 -6.560 1.00 42.21 C ATOM 107 CD PRO A 117 18.698 -12.880 -6.177 1.00 55.43 C ATOM 0 HA PRO A 117 19.226 -12.566 -9.378 1.00 10.33 H new ATOM 0 HB2 PRO A 117 19.275 -15.195 -8.487 1.00 22.30 H new ATOM 0 HB3 PRO A 117 20.542 -14.073 -8.034 1.00 22.30 H new ATOM 0 HG2 PRO A 117 18.122 -14.932 -6.460 1.00 42.21 H new ATOM 0 HG3 PRO A 117 19.773 -14.723 -5.912 1.00 42.21 H new ATOM 0 HD2 PRO A 117 17.872 -12.824 -5.468 1.00 55.43 H new ATOM 0 HD3 PRO A 117 19.555 -12.396 -5.707 1.00 55.43 H new ATOM 115 N GLU A 118 17.454 -13.633 -10.632 1.00 34.21 N ATOM 116 CA GLU A 118 16.323 -14.116 -11.416 1.00 41.22 C ATOM 117 C GLU A 118 15.987 -15.560 -11.055 1.00 42.20 C ATOM 118 O GLU A 118 16.778 -16.249 -10.410 1.00 72.32 O ATOM 119 CB GLU A 118 16.629 -14.011 -12.912 1.00 3.53 C ATOM 120 CG GLU A 118 15.403 -13.738 -13.766 1.00 71.34 C ATOM 121 CD GLU A 118 14.671 -12.477 -13.351 1.00 40.34 C ATOM 122 OE1 GLU A 118 13.793 -12.563 -12.468 1.00 72.00 O ATOM 123 OE2 GLU A 118 14.977 -11.403 -13.911 1.00 2.23 O ATOM 0 H GLU A 118 18.243 -13.301 -11.188 1.00 34.21 H new ATOM 0 HA GLU A 118 15.460 -13.492 -11.184 1.00 41.22 H new ATOM 0 HB2 GLU A 118 17.356 -13.215 -13.070 1.00 3.53 H new ATOM 0 HB3 GLU A 118 17.094 -14.939 -13.245 1.00 3.53 H new ATOM 0 HG2 GLU A 118 15.704 -13.652 -14.810 1.00 71.34 H new ATOM 0 HG3 GLU A 118 14.723 -14.587 -13.700 1.00 71.34 H new ATOM 130 N ILE A 119 14.810 -16.010 -11.475 1.00 15.22 N ATOM 131 CA ILE A 119 14.369 -17.371 -11.196 1.00 61.13 C ATOM 132 C ILE A 119 14.864 -18.339 -12.266 1.00 53.42 C ATOM 133 O ILE A 119 14.715 -18.105 -13.466 1.00 21.31 O ATOM 134 CB ILE A 119 12.834 -17.460 -11.110 1.00 50.42 C ATOM 135 CG1 ILE A 119 12.304 -16.491 -10.051 1.00 40.43 C ATOM 136 CG2 ILE A 119 12.402 -18.884 -10.796 1.00 24.21 C ATOM 137 CD1 ILE A 119 12.860 -16.744 -8.668 1.00 24.33 C ATOM 0 H ILE A 119 14.144 -15.452 -12.010 1.00 15.22 H new ATOM 0 HA ILE A 119 14.795 -17.649 -10.232 1.00 61.13 H new ATOM 0 HB ILE A 119 12.414 -17.179 -12.076 1.00 50.42 H new ATOM 0 HG12 ILE A 119 12.546 -15.471 -10.350 1.00 40.43 H new ATOM 0 HG13 ILE A 119 11.217 -16.563 -10.016 1.00 40.43 H new ATOM 0 HG21 ILE A 119 11.314 -18.930 -10.739 1.00 24.21 H new ATOM 0 HG22 ILE A 119 12.752 -19.552 -11.583 1.00 24.21 H new ATOM 0 HG23 ILE A 119 12.829 -19.192 -9.841 1.00 24.21 H new ATOM 0 HD11 ILE A 119 12.441 -16.020 -7.969 1.00 24.33 H new ATOM 0 HD12 ILE A 119 12.596 -17.752 -8.348 1.00 24.33 H new ATOM 0 HD13 ILE A 119 13.945 -16.643 -8.688 1.00 24.33 H new ATOM 149 N PRO A 120 15.465 -19.453 -11.824 1.00 10.02 N ATOM 150 CA PRO A 120 15.992 -20.480 -12.727 1.00 73.23 C ATOM 151 C PRO A 120 14.884 -21.245 -13.444 1.00 42.12 C ATOM 152 O PRO A 120 14.017 -21.843 -12.807 1.00 11.20 O ATOM 153 CB PRO A 120 16.766 -21.412 -11.792 1.00 31.22 C ATOM 154 CG PRO A 120 16.124 -21.231 -10.460 1.00 14.01 C ATOM 155 CD PRO A 120 15.676 -19.796 -10.408 1.00 24.24 C ATOM 0 HA PRO A 120 16.601 -20.050 -13.522 1.00 73.23 H new ATOM 0 HB2 PRO A 120 16.703 -22.448 -12.124 1.00 31.22 H new ATOM 0 HB3 PRO A 120 17.824 -21.152 -11.760 1.00 31.22 H new ATOM 0 HG2 PRO A 120 15.279 -21.908 -10.339 1.00 14.01 H new ATOM 0 HG3 PRO A 120 16.826 -21.450 -9.655 1.00 14.01 H new ATOM 0 HD2 PRO A 120 14.761 -19.681 -9.826 1.00 24.24 H new ATOM 0 HD3 PRO A 120 16.429 -19.156 -9.947 1.00 24.24 H new ATOM 163 N ASP A 121 14.920 -21.222 -14.772 1.00 13.11 N ATOM 164 CA ASP A 121 13.919 -21.915 -15.576 1.00 4.34 C ATOM 165 C ASP A 121 14.577 -22.688 -16.714 1.00 25.42 C ATOM 166 O ASP A 121 15.766 -22.519 -16.989 1.00 14.02 O ATOM 167 CB ASP A 121 12.907 -20.917 -16.139 1.00 53.23 C ATOM 168 CG ASP A 121 11.593 -21.574 -16.515 1.00 63.40 C ATOM 169 OD1 ASP A 121 10.699 -21.651 -15.647 1.00 51.52 O ATOM 170 OD2 ASP A 121 11.460 -22.014 -17.677 1.00 3.23 O ATOM 0 H ASP A 121 15.631 -20.731 -15.314 1.00 13.11 H new ATOM 0 HA ASP A 121 13.399 -22.624 -14.932 1.00 4.34 H new ATOM 0 HB2 ASP A 121 12.722 -20.137 -15.401 1.00 53.23 H new ATOM 0 HB3 ASP A 121 13.331 -20.431 -17.017 1.00 53.23 H new ATOM 175 N LYS A 122 13.798 -23.539 -17.372 1.00 71.24 N ATOM 176 CA LYS A 122 14.303 -24.340 -18.481 1.00 44.22 C ATOM 177 C LYS A 122 14.333 -23.526 -19.771 1.00 11.21 C ATOM 178 O LYS A 122 14.836 -23.985 -20.797 1.00 24.45 O ATOM 179 CB LYS A 122 13.438 -25.587 -18.673 1.00 31.33 C ATOM 180 CG LYS A 122 13.954 -26.806 -17.928 1.00 3.04 C ATOM 181 CD LYS A 122 13.549 -26.778 -16.464 1.00 14.35 C ATOM 182 CE LYS A 122 12.273 -27.570 -16.223 1.00 54.23 C ATOM 183 NZ LYS A 122 11.063 -26.816 -16.653 1.00 55.22 N ATOM 0 H LYS A 122 12.813 -23.692 -17.156 1.00 71.24 H new ATOM 0 HA LYS A 122 15.321 -24.646 -18.241 1.00 44.22 H new ATOM 0 HB2 LYS A 122 12.423 -25.370 -18.339 1.00 31.33 H new ATOM 0 HB3 LYS A 122 13.381 -25.819 -19.736 1.00 31.33 H new ATOM 0 HG2 LYS A 122 13.566 -27.711 -18.396 1.00 3.04 H new ATOM 0 HG3 LYS A 122 15.040 -26.848 -18.005 1.00 3.04 H new ATOM 0 HD2 LYS A 122 14.354 -27.189 -15.855 1.00 14.35 H new ATOM 0 HD3 LYS A 122 13.403 -25.746 -16.145 1.00 14.35 H new ATOM 0 HE2 LYS A 122 12.324 -28.514 -16.765 1.00 54.23 H new ATOM 0 HE3 LYS A 122 12.192 -27.814 -15.164 1.00 54.23 H new ATOM 0 HZ1 LYS A 122 10.265 -27.055 -16.030 1.00 55.22 H new ATOM 0 HZ2 LYS A 122 11.252 -25.795 -16.597 1.00 55.22 H new ATOM 0 HZ3 LYS A 122 10.825 -27.071 -17.633 1.00 55.22 H new ATOM 197 N THR A 123 13.791 -22.313 -19.713 1.00 23.04 N ATOM 198 CA THR A 123 13.756 -21.435 -20.875 1.00 60.03 C ATOM 199 C THR A 123 14.568 -20.168 -20.632 1.00 50.04 C ATOM 200 O THR A 123 15.017 -19.517 -21.575 1.00 42.25 O ATOM 201 CB THR A 123 12.312 -21.044 -21.240 1.00 14.50 C ATOM 202 OG1 THR A 123 11.435 -22.157 -21.032 1.00 50.50 O ATOM 203 CG2 THR A 123 12.224 -20.586 -22.688 1.00 61.22 C ATOM 0 H THR A 123 13.370 -21.917 -18.873 1.00 23.04 H new ATOM 0 HA THR A 123 14.195 -21.990 -21.704 1.00 60.03 H new ATOM 0 HB THR A 123 12.009 -20.218 -20.596 1.00 14.50 H new ATOM 0 HG1 THR A 123 10.519 -21.899 -21.265 1.00 50.50 H new ATOM 0 HG21 THR A 123 11.194 -20.315 -22.922 1.00 61.22 H new ATOM 0 HG22 THR A 123 12.869 -19.720 -22.836 1.00 61.22 H new ATOM 0 HG23 THR A 123 12.545 -21.394 -23.345 1.00 61.22 H new ATOM 211 N SER A 124 14.753 -19.824 -19.362 1.00 2.11 N ATOM 212 CA SER A 124 15.509 -18.632 -18.995 1.00 62.02 C ATOM 213 C SER A 124 16.772 -19.005 -18.224 1.00 74.42 C ATOM 214 O SER A 124 16.702 -19.476 -17.088 1.00 52.33 O ATOM 215 CB SER A 124 14.644 -17.692 -18.154 1.00 55.12 C ATOM 216 OG SER A 124 15.076 -16.349 -18.283 1.00 10.40 O ATOM 0 H SER A 124 14.390 -20.354 -18.570 1.00 2.11 H new ATOM 0 HA SER A 124 15.802 -18.121 -19.912 1.00 62.02 H new ATOM 0 HB2 SER A 124 13.603 -17.774 -18.466 1.00 55.12 H new ATOM 0 HB3 SER A 124 14.687 -17.992 -17.107 1.00 55.12 H new ATOM 0 HG SER A 124 14.506 -15.768 -17.737 1.00 10.40 H new ATOM 222 N ILE A 125 17.924 -18.792 -18.850 1.00 62.30 N ATOM 223 CA ILE A 125 19.202 -19.105 -18.223 1.00 64.02 C ATOM 224 C ILE A 125 20.106 -17.877 -18.174 1.00 35.31 C ATOM 225 O ILE A 125 19.903 -16.914 -18.914 1.00 65.11 O ATOM 226 CB ILE A 125 19.934 -20.237 -18.970 1.00 14.54 C ATOM 227 CG1 ILE A 125 18.925 -21.151 -19.668 1.00 22.21 C ATOM 228 CG2 ILE A 125 20.801 -21.033 -18.006 1.00 14.10 C ATOM 229 CD1 ILE A 125 17.953 -21.815 -18.718 1.00 61.41 C ATOM 0 H ILE A 125 17.999 -18.404 -19.790 1.00 62.30 H new ATOM 0 HA ILE A 125 18.983 -19.433 -17.207 1.00 64.02 H new ATOM 0 HB ILE A 125 20.580 -19.795 -19.728 1.00 14.54 H new ATOM 0 HG12 ILE A 125 18.365 -20.569 -20.400 1.00 22.21 H new ATOM 0 HG13 ILE A 125 19.465 -21.921 -20.219 1.00 22.21 H new ATOM 0 HG21 ILE A 125 21.312 -21.829 -18.548 1.00 14.10 H new ATOM 0 HG22 ILE A 125 21.539 -20.373 -17.550 1.00 14.10 H new ATOM 0 HG23 ILE A 125 20.174 -21.468 -17.228 1.00 14.10 H new ATOM 0 HD11 ILE A 125 17.268 -22.448 -19.282 1.00 61.41 H new ATOM 0 HD12 ILE A 125 18.504 -22.425 -18.002 1.00 61.41 H new ATOM 0 HD13 ILE A 125 17.386 -21.052 -18.185 1.00 61.41 H new ATOM 241 N CYS A 126 21.104 -17.919 -17.298 1.00 51.20 N ATOM 242 CA CYS A 126 22.040 -16.811 -17.152 1.00 2.00 C ATOM 243 C CYS A 126 23.410 -17.179 -17.715 1.00 2.13 C ATOM 244 O CYS A 126 23.847 -18.324 -17.612 1.00 61.35 O ATOM 245 CB CYS A 126 22.171 -16.417 -15.679 1.00 53.34 C ATOM 246 SG CYS A 126 23.456 -15.168 -15.355 1.00 43.52 S ATOM 0 H CYS A 126 21.285 -18.709 -16.678 1.00 51.20 H new ATOM 0 HA CYS A 126 21.651 -15.963 -17.715 1.00 2.00 H new ATOM 0 HB2 CYS A 126 21.212 -16.035 -15.329 1.00 53.34 H new ATOM 0 HB3 CYS A 126 22.391 -17.310 -15.093 1.00 53.34 H new ATOM 251 N ASN A 127 24.083 -16.198 -18.309 1.00 35.24 N ATOM 252 CA ASN A 127 25.403 -16.418 -18.888 1.00 33.40 C ATOM 253 C ASN A 127 26.499 -15.933 -17.944 1.00 53.44 C ATOM 254 O ASN A 127 26.217 -15.421 -16.861 1.00 3.12 O ATOM 255 CB ASN A 127 25.518 -15.700 -20.234 1.00 70.52 C ATOM 256 CG ASN A 127 24.209 -15.693 -20.999 1.00 73.04 C ATOM 257 OD1 ASN A 127 23.779 -14.657 -21.507 1.00 3.33 O ATOM 258 ND2 ASN A 127 23.567 -16.853 -21.086 1.00 4.34 N ATOM 0 H ASN A 127 23.736 -15.243 -18.402 1.00 35.24 H new ATOM 0 HA ASN A 127 25.531 -17.489 -19.043 1.00 33.40 H new ATOM 0 HB2 ASN A 127 25.844 -14.673 -20.068 1.00 70.52 H new ATOM 0 HB3 ASN A 127 26.286 -16.185 -20.837 1.00 70.52 H new ATOM 0 HD21 ASN A 127 22.681 -16.909 -21.589 1.00 4.34 H new ATOM 0 HD22 ASN A 127 23.960 -17.687 -20.650 1.00 4.34 H new ATOM 265 N SER A 128 27.749 -16.096 -18.365 1.00 21.14 N ATOM 266 CA SER A 128 28.888 -15.677 -17.556 1.00 61.41 C ATOM 267 C SER A 128 28.846 -14.175 -17.295 1.00 13.23 C ATOM 268 O SER A 128 28.074 -13.447 -17.919 1.00 50.41 O ATOM 269 CB SER A 128 30.199 -16.049 -18.253 1.00 12.55 C ATOM 270 OG SER A 128 30.377 -17.454 -18.289 1.00 11.13 O ATOM 0 H SER A 128 27.999 -16.515 -19.261 1.00 21.14 H new ATOM 0 HA SER A 128 28.833 -16.196 -16.599 1.00 61.41 H new ATOM 0 HB2 SER A 128 30.199 -15.653 -19.269 1.00 12.55 H new ATOM 0 HB3 SER A 128 31.036 -15.587 -17.730 1.00 12.55 H new ATOM 0 HG SER A 128 31.221 -17.665 -18.741 1.00 11.13 H new ATOM 276 N ASP A 129 29.680 -13.718 -16.368 1.00 24.43 N ATOM 277 CA ASP A 129 29.740 -12.303 -16.023 1.00 43.40 C ATOM 278 C ASP A 129 29.943 -11.448 -17.270 1.00 51.12 C ATOM 279 O ASP A 129 29.237 -10.462 -17.480 1.00 43.21 O ATOM 280 CB ASP A 129 30.870 -12.046 -15.025 1.00 23.23 C ATOM 281 CG ASP A 129 32.186 -12.654 -15.470 1.00 73.14 C ATOM 282 OD1 ASP A 129 32.293 -13.898 -15.473 1.00 22.11 O ATOM 283 OD2 ASP A 129 33.108 -11.886 -15.816 1.00 11.10 O ATOM 0 H ASP A 129 30.325 -14.308 -15.841 1.00 24.43 H new ATOM 0 HA ASP A 129 28.791 -12.026 -15.564 1.00 43.40 H new ATOM 0 HB2 ASP A 129 30.996 -10.971 -14.892 1.00 23.23 H new ATOM 0 HB3 ASP A 129 30.593 -12.457 -14.054 1.00 23.23 H new ATOM 288 N ALA A 130 30.912 -11.833 -18.094 1.00 2.40 N ATOM 289 CA ALA A 130 31.207 -11.102 -19.320 1.00 61.35 C ATOM 290 C ALA A 130 30.206 -11.446 -20.418 1.00 52.41 C ATOM 291 O ALA A 130 30.264 -10.897 -21.519 1.00 2.14 O ATOM 292 CB ALA A 130 32.625 -11.401 -19.785 1.00 10.04 C ATOM 0 H ALA A 130 31.506 -12.647 -17.935 1.00 2.40 H new ATOM 0 HA ALA A 130 31.123 -10.036 -19.107 1.00 61.35 H new ATOM 0 HB1 ALA A 130 32.831 -10.848 -20.702 1.00 10.04 H new ATOM 0 HB2 ALA A 130 33.332 -11.100 -19.012 1.00 10.04 H new ATOM 0 HB3 ALA A 130 32.728 -12.469 -19.975 1.00 10.04 H new ATOM 298 N ASP A 131 29.289 -12.357 -20.112 1.00 13.42 N ATOM 299 CA ASP A 131 28.274 -12.773 -21.073 1.00 12.13 C ATOM 300 C ASP A 131 26.881 -12.361 -20.605 1.00 63.30 C ATOM 301 O ASP A 131 25.877 -12.710 -21.227 1.00 24.52 O ATOM 302 CB ASP A 131 28.329 -14.287 -21.281 1.00 34.24 C ATOM 303 CG ASP A 131 27.566 -14.730 -22.514 1.00 23.21 C ATOM 304 OD1 ASP A 131 27.047 -13.854 -23.236 1.00 62.25 O ATOM 305 OD2 ASP A 131 27.488 -15.953 -22.756 1.00 61.12 O ATOM 0 H ASP A 131 29.228 -12.822 -19.206 1.00 13.42 H new ATOM 0 HA ASP A 131 28.481 -12.276 -22.021 1.00 12.13 H new ATOM 0 HB2 ASP A 131 29.369 -14.601 -21.368 1.00 34.24 H new ATOM 0 HB3 ASP A 131 27.918 -14.787 -20.404 1.00 34.24 H new ATOM 310 N CYS A 132 26.828 -11.618 -19.505 1.00 11.20 N ATOM 311 CA CYS A 132 25.559 -11.159 -18.952 1.00 63.41 C ATOM 312 C CYS A 132 25.484 -9.635 -18.953 1.00 65.22 C ATOM 313 O CYS A 132 26.383 -8.957 -18.454 1.00 22.43 O ATOM 314 CB CYS A 132 25.379 -11.689 -17.528 1.00 54.20 C ATOM 315 SG CYS A 132 23.639 -11.863 -17.015 1.00 5.25 S ATOM 0 H CYS A 132 27.649 -11.321 -18.978 1.00 11.20 H new ATOM 0 HA CYS A 132 24.756 -11.544 -19.581 1.00 63.41 H new ATOM 0 HB2 CYS A 132 25.869 -12.659 -17.448 1.00 54.20 H new ATOM 0 HB3 CYS A 132 25.886 -11.018 -16.835 1.00 54.20 H new ATOM 320 N THR A 133 24.406 -9.102 -19.518 1.00 52.51 N ATOM 321 CA THR A 133 24.213 -7.659 -19.586 1.00 0.55 C ATOM 322 C THR A 133 22.957 -7.236 -18.832 1.00 3.32 C ATOM 323 O THR A 133 21.960 -7.956 -18.786 1.00 54.41 O ATOM 324 CB THR A 133 24.111 -7.173 -21.044 1.00 13.02 C ATOM 325 OG1 THR A 133 23.532 -5.864 -21.085 1.00 12.12 O ATOM 326 CG2 THR A 133 23.271 -8.131 -21.875 1.00 51.33 C ATOM 0 H THR A 133 23.653 -9.648 -19.936 1.00 52.51 H new ATOM 0 HA THR A 133 25.085 -7.202 -19.119 1.00 0.55 H new ATOM 0 HB THR A 133 25.116 -7.138 -21.464 1.00 13.02 H new ATOM 0 HG1 THR A 133 23.472 -5.562 -22.015 1.00 12.12 H new ATOM 0 HG21 THR A 133 23.213 -7.768 -22.901 1.00 51.33 H new ATOM 0 HG22 THR A 133 23.730 -9.119 -21.866 1.00 51.33 H new ATOM 0 HG23 THR A 133 22.267 -8.193 -21.455 1.00 51.33 H new ATOM 334 N PRO A 134 23.004 -6.040 -18.226 1.00 42.21 N ATOM 335 CA PRO A 134 21.877 -5.494 -17.464 1.00 43.31 C ATOM 336 C PRO A 134 20.707 -5.104 -18.360 1.00 14.41 C ATOM 337 O PRO A 134 20.694 -5.411 -19.551 1.00 22.41 O ATOM 338 CB PRO A 134 22.472 -4.254 -16.791 1.00 32.21 C ATOM 339 CG PRO A 134 23.605 -3.852 -17.670 1.00 60.25 C ATOM 340 CD PRO A 134 24.161 -5.129 -18.239 1.00 52.50 C ATOM 0 HA PRO A 134 21.468 -6.221 -16.763 1.00 43.31 H new ATOM 0 HB2 PRO A 134 21.734 -3.456 -16.707 1.00 32.21 H new ATOM 0 HB3 PRO A 134 22.815 -4.478 -15.781 1.00 32.21 H new ATOM 0 HG2 PRO A 134 23.266 -3.186 -18.464 1.00 60.25 H new ATOM 0 HG3 PRO A 134 24.365 -3.313 -17.105 1.00 60.25 H new ATOM 0 HD2 PRO A 134 24.548 -4.985 -19.248 1.00 52.50 H new ATOM 0 HD3 PRO A 134 24.983 -5.514 -17.635 1.00 52.50 H new ATOM 348 N GLY A 135 19.723 -4.423 -17.778 1.00 62.24 N ATOM 349 CA GLY A 135 18.562 -4.002 -18.539 1.00 54.24 C ATOM 350 C GLY A 135 17.640 -5.157 -18.878 1.00 11.25 C ATOM 351 O GLY A 135 17.267 -5.939 -18.003 1.00 43.11 O ATOM 0 H GLY A 135 19.710 -4.156 -16.794 1.00 62.24 H new ATOM 0 HA2 GLY A 135 18.009 -3.255 -17.969 1.00 54.24 H new ATOM 0 HA3 GLY A 135 18.890 -3.521 -19.460 1.00 54.24 H new ATOM 355 N SER A 136 17.270 -5.264 -20.150 1.00 14.54 N ATOM 356 CA SER A 136 16.381 -6.328 -20.600 1.00 71.23 C ATOM 357 C SER A 136 15.122 -6.386 -19.740 1.00 41.42 C ATOM 358 O SER A 136 14.838 -7.399 -19.101 1.00 44.03 O ATOM 359 CB SER A 136 17.103 -7.676 -20.558 1.00 61.30 C ATOM 360 OG SER A 136 16.424 -8.644 -21.340 1.00 13.53 O ATOM 0 H SER A 136 17.572 -4.627 -20.887 1.00 14.54 H new ATOM 0 HA SER A 136 16.088 -6.112 -21.627 1.00 71.23 H new ATOM 0 HB2 SER A 136 18.122 -7.557 -20.925 1.00 61.30 H new ATOM 0 HB3 SER A 136 17.174 -8.022 -19.527 1.00 61.30 H new ATOM 0 HG SER A 136 16.907 -9.496 -21.298 1.00 13.53 H new ATOM 366 N VAL A 137 14.370 -5.290 -19.729 1.00 1.50 N ATOM 367 CA VAL A 137 13.141 -5.214 -18.949 1.00 13.21 C ATOM 368 C VAL A 137 12.145 -6.283 -19.386 1.00 45.55 C ATOM 369 O VAL A 137 11.409 -6.100 -20.356 1.00 13.43 O ATOM 370 CB VAL A 137 12.479 -3.829 -19.077 1.00 2.32 C ATOM 371 CG1 VAL A 137 11.188 -3.777 -18.274 1.00 24.01 C ATOM 372 CG2 VAL A 137 13.439 -2.737 -18.629 1.00 43.13 C ATOM 0 H VAL A 137 14.591 -4.442 -20.252 1.00 1.50 H new ATOM 0 HA VAL A 137 13.417 -5.382 -17.908 1.00 13.21 H new ATOM 0 HB VAL A 137 12.233 -3.659 -20.125 1.00 2.32 H new ATOM 0 HG11 VAL A 137 10.735 -2.791 -18.377 1.00 24.01 H new ATOM 0 HG12 VAL A 137 10.498 -4.534 -18.646 1.00 24.01 H new ATOM 0 HG13 VAL A 137 11.405 -3.969 -17.223 1.00 24.01 H new ATOM 0 HG21 VAL A 137 12.955 -1.765 -18.726 1.00 43.13 H new ATOM 0 HG22 VAL A 137 13.717 -2.902 -17.588 1.00 43.13 H new ATOM 0 HG23 VAL A 137 14.333 -2.761 -19.252 1.00 43.13 H new ATOM 382 N ASP A 138 12.129 -7.398 -18.666 1.00 30.24 N ATOM 383 CA ASP A 138 11.223 -8.497 -18.978 1.00 74.11 C ATOM 384 C ASP A 138 9.780 -8.121 -18.654 1.00 3.22 C ATOM 385 O ASP A 138 9.511 -7.447 -17.658 1.00 61.53 O ATOM 386 CB ASP A 138 11.622 -9.753 -18.201 1.00 42.43 C ATOM 387 CG ASP A 138 11.350 -11.025 -18.979 1.00 32.45 C ATOM 388 OD1 ASP A 138 10.574 -10.969 -19.955 1.00 62.14 O ATOM 389 OD2 ASP A 138 11.912 -12.078 -18.609 1.00 74.24 O ATOM 0 H ASP A 138 12.733 -7.565 -17.862 1.00 30.24 H new ATOM 0 HA ASP A 138 11.296 -8.702 -20.046 1.00 74.11 H new ATOM 0 HB2 ASP A 138 12.682 -9.702 -17.953 1.00 42.43 H new ATOM 0 HB3 ASP A 138 11.075 -9.783 -17.259 1.00 42.43 H new ATOM 394 N THR A 139 8.855 -8.559 -19.502 1.00 34.15 N ATOM 395 CA THR A 139 7.440 -8.267 -19.307 1.00 2.21 C ATOM 396 C THR A 139 6.855 -9.109 -18.179 1.00 11.31 C ATOM 397 O THR A 139 5.934 -8.679 -17.483 1.00 5.41 O ATOM 398 CB THR A 139 6.632 -8.520 -20.594 1.00 0.24 C ATOM 399 OG1 THR A 139 7.135 -9.678 -21.268 1.00 62.23 O ATOM 400 CG2 THR A 139 6.701 -7.316 -21.521 1.00 70.24 C ATOM 0 H THR A 139 9.060 -9.117 -20.331 1.00 34.15 H new ATOM 0 HA THR A 139 7.368 -7.212 -19.043 1.00 2.21 H new ATOM 0 HB THR A 139 5.591 -8.686 -20.317 1.00 0.24 H new ATOM 0 HG1 THR A 139 6.615 -9.833 -22.084 1.00 62.23 H new ATOM 0 HG21 THR A 139 6.123 -7.518 -22.423 1.00 70.24 H new ATOM 0 HG22 THR A 139 6.290 -6.443 -21.014 1.00 70.24 H new ATOM 0 HG23 THR A 139 7.739 -7.124 -21.791 1.00 70.24 H new ATOM 408 N HIS A 140 7.395 -10.311 -18.002 1.00 54.43 N ATOM 409 CA HIS A 140 6.926 -11.213 -16.957 1.00 11.04 C ATOM 410 C HIS A 140 7.651 -10.944 -15.642 1.00 24.04 C ATOM 411 O HIS A 140 7.026 -10.843 -14.586 1.00 43.51 O ATOM 412 CB HIS A 140 7.133 -12.668 -17.379 1.00 0.15 C ATOM 413 CG HIS A 140 6.593 -13.660 -16.394 1.00 42.55 C ATOM 414 ND1 HIS A 140 7.385 -14.584 -15.746 1.00 51.21 N ATOM 415 CD2 HIS A 140 5.332 -13.867 -15.948 1.00 25.12 C ATOM 416 CE1 HIS A 140 6.634 -15.318 -14.945 1.00 23.14 C ATOM 417 NE2 HIS A 140 5.385 -14.903 -15.048 1.00 34.10 N ATOM 0 H HIS A 140 8.157 -10.682 -18.569 1.00 54.43 H new ATOM 0 HA HIS A 140 5.861 -11.034 -16.808 1.00 11.04 H new ATOM 0 HB2 HIS A 140 6.654 -12.829 -18.345 1.00 0.15 H new ATOM 0 HB3 HIS A 140 8.199 -12.849 -17.518 1.00 0.15 H new ATOM 0 HD2 HIS A 140 4.449 -13.320 -16.244 1.00 25.12 H new ATOM 0 HE1 HIS A 140 6.983 -16.121 -14.313 1.00 23.14 H new ATOM 0 HE2 HIS A 140 4.588 -15.289 -14.541 1.00 34.10 H new ATOM 425 N SER A 141 8.974 -10.831 -15.713 1.00 52.44 N ATOM 426 CA SER A 141 9.785 -10.578 -14.528 1.00 72.10 C ATOM 427 C SER A 141 9.656 -9.125 -14.081 1.00 44.04 C ATOM 428 O SER A 141 9.741 -8.820 -12.892 1.00 12.12 O ATOM 429 CB SER A 141 11.252 -10.910 -14.808 1.00 11.12 C ATOM 430 OG SER A 141 11.978 -11.067 -13.601 1.00 61.32 O ATOM 0 H SER A 141 9.507 -10.911 -16.579 1.00 52.44 H new ATOM 0 HA SER A 141 9.422 -11.220 -13.725 1.00 72.10 H new ATOM 0 HB2 SER A 141 11.315 -11.826 -15.396 1.00 11.12 H new ATOM 0 HB3 SER A 141 11.700 -10.116 -15.405 1.00 11.12 H new ATOM 0 HG SER A 141 12.275 -11.997 -13.516 1.00 61.32 H new ATOM 436 N SER A 142 9.452 -8.232 -15.045 1.00 31.23 N ATOM 437 CA SER A 142 9.316 -6.810 -14.753 1.00 34.15 C ATOM 438 C SER A 142 10.528 -6.295 -13.983 1.00 42.24 C ATOM 439 O SER A 142 10.442 -5.307 -13.256 1.00 12.34 O ATOM 440 CB SER A 142 8.040 -6.553 -13.948 1.00 21.22 C ATOM 441 OG SER A 142 6.911 -7.128 -14.583 1.00 45.05 O ATOM 0 H SER A 142 9.377 -8.468 -16.034 1.00 31.23 H new ATOM 0 HA SER A 142 9.254 -6.274 -15.700 1.00 34.15 H new ATOM 0 HB2 SER A 142 8.149 -6.969 -12.946 1.00 21.22 H new ATOM 0 HB3 SER A 142 7.889 -5.480 -13.833 1.00 21.22 H new ATOM 0 HG SER A 142 6.109 -6.951 -14.048 1.00 45.05 H new ATOM 447 N GLY A 143 11.660 -6.973 -14.151 1.00 35.22 N ATOM 448 CA GLY A 143 12.874 -6.570 -13.467 1.00 22.34 C ATOM 449 C GLY A 143 13.966 -6.142 -14.427 1.00 70.10 C ATOM 450 O GLY A 143 13.908 -6.444 -15.619 1.00 70.40 O ATOM 0 H GLY A 143 11.757 -7.794 -14.749 1.00 35.22 H new ATOM 0 HA2 GLY A 143 12.649 -5.748 -12.788 1.00 22.34 H new ATOM 0 HA3 GLY A 143 13.235 -7.398 -12.857 1.00 22.34 H new ATOM 454 N VAL A 144 14.964 -5.434 -13.908 1.00 64.42 N ATOM 455 CA VAL A 144 16.074 -4.963 -14.728 1.00 61.01 C ATOM 456 C VAL A 144 17.381 -5.636 -14.323 1.00 50.33 C ATOM 457 O VAL A 144 17.873 -5.441 -13.212 1.00 72.12 O ATOM 458 CB VAL A 144 16.241 -3.436 -14.622 1.00 3.42 C ATOM 459 CG1 VAL A 144 17.429 -2.969 -15.450 1.00 20.32 C ATOM 460 CG2 VAL A 144 14.967 -2.729 -15.058 1.00 13.12 C ATOM 0 H VAL A 144 15.027 -5.174 -12.924 1.00 64.42 H new ATOM 0 HA VAL A 144 15.839 -5.225 -15.760 1.00 61.01 H new ATOM 0 HB VAL A 144 16.433 -3.181 -13.580 1.00 3.42 H new ATOM 0 HG11 VAL A 144 17.531 -1.887 -15.362 1.00 20.32 H new ATOM 0 HG12 VAL A 144 18.337 -3.450 -15.086 1.00 20.32 H new ATOM 0 HG13 VAL A 144 17.271 -3.235 -16.495 1.00 20.32 H new ATOM 0 HG21 VAL A 144 15.103 -1.651 -14.977 1.00 13.12 H new ATOM 0 HG22 VAL A 144 14.742 -2.989 -16.092 1.00 13.12 H new ATOM 0 HG23 VAL A 144 14.141 -3.040 -14.418 1.00 13.12 H new ATOM 470 N ALA A 145 17.939 -6.428 -15.233 1.00 11.10 N ATOM 471 CA ALA A 145 19.190 -7.128 -14.972 1.00 5.21 C ATOM 472 C ALA A 145 20.289 -6.153 -14.559 1.00 74.54 C ATOM 473 O ALA A 145 20.322 -5.009 -15.014 1.00 74.40 O ATOM 474 CB ALA A 145 19.618 -7.920 -16.199 1.00 2.43 C ATOM 0 H ALA A 145 17.544 -6.601 -16.157 1.00 11.10 H new ATOM 0 HA ALA A 145 19.025 -7.820 -14.146 1.00 5.21 H new ATOM 0 HB1 ALA A 145 20.554 -8.438 -15.990 1.00 2.43 H new ATOM 0 HB2 ALA A 145 18.848 -8.650 -16.448 1.00 2.43 H new ATOM 0 HB3 ALA A 145 19.759 -7.241 -17.040 1.00 2.43 H new ATOM 480 N THR A 146 21.187 -6.613 -13.694 1.00 63.43 N ATOM 481 CA THR A 146 22.286 -5.782 -13.219 1.00 71.00 C ATOM 482 C THR A 146 23.579 -6.104 -13.959 1.00 23.54 C ATOM 483 O THR A 146 24.368 -5.212 -14.268 1.00 30.43 O ATOM 484 CB THR A 146 22.514 -5.963 -11.706 1.00 71.34 C ATOM 485 OG1 THR A 146 22.890 -7.316 -11.426 1.00 64.24 O ATOM 486 CG2 THR A 146 21.259 -5.608 -10.924 1.00 33.44 C ATOM 0 H THR A 146 21.175 -7.557 -13.308 1.00 63.43 H new ATOM 0 HA THR A 146 22.007 -4.747 -13.415 1.00 71.00 H new ATOM 0 HB THR A 146 23.316 -5.292 -11.399 1.00 71.34 H new ATOM 0 HG1 THR A 146 23.775 -7.329 -11.006 1.00 64.24 H new ATOM 0 HG21 THR A 146 21.444 -5.743 -9.858 1.00 33.44 H new ATOM 0 HG22 THR A 146 20.992 -4.569 -11.117 1.00 33.44 H new ATOM 0 HG23 THR A 146 20.440 -6.257 -11.236 1.00 33.44 H new ATOM 494 N GLY A 147 23.791 -7.387 -14.240 1.00 52.44 N ATOM 495 CA GLY A 147 24.990 -7.804 -14.943 1.00 4.35 C ATOM 496 C GLY A 147 25.682 -8.970 -14.266 1.00 23.32 C ATOM 497 O GLY A 147 26.295 -9.807 -14.929 1.00 74.33 O ATOM 0 H GLY A 147 23.154 -8.144 -13.993 1.00 52.44 H new ATOM 0 HA2 GLY A 147 24.730 -8.083 -15.964 1.00 4.35 H new ATOM 0 HA3 GLY A 147 25.681 -6.963 -15.008 1.00 4.35 H new ATOM 501 N ARG A 148 25.587 -9.026 -12.941 1.00 53.54 N ATOM 502 CA ARG A 148 26.211 -10.097 -12.174 1.00 41.43 C ATOM 503 C ARG A 148 25.422 -11.395 -12.312 1.00 33.31 C ATOM 504 O ARG A 148 24.197 -11.379 -12.442 1.00 64.45 O ATOM 505 CB ARG A 148 26.314 -9.704 -10.699 1.00 52.44 C ATOM 506 CG ARG A 148 27.638 -10.086 -10.058 1.00 34.21 C ATOM 507 CD ARG A 148 27.508 -10.216 -8.548 1.00 43.53 C ATOM 508 NE ARG A 148 28.621 -9.581 -7.847 1.00 64.23 N ATOM 509 CZ ARG A 148 28.807 -8.267 -7.800 1.00 52.31 C ATOM 510 NH1 ARG A 148 27.957 -7.452 -8.410 1.00 0.33 N ATOM 511 NH2 ARG A 148 29.844 -7.765 -7.142 1.00 11.12 N ATOM 0 H ARG A 148 25.084 -8.342 -12.377 1.00 53.54 H new ATOM 0 HA ARG A 148 27.213 -10.258 -12.571 1.00 41.43 H new ATOM 0 HB2 ARG A 148 26.173 -8.627 -10.608 1.00 52.44 H new ATOM 0 HB3 ARG A 148 25.503 -10.179 -10.148 1.00 52.44 H new ATOM 0 HG2 ARG A 148 27.988 -11.030 -10.477 1.00 34.21 H new ATOM 0 HG3 ARG A 148 28.390 -9.333 -10.296 1.00 34.21 H new ATOM 0 HD2 ARG A 148 26.570 -9.764 -8.224 1.00 43.53 H new ATOM 0 HD3 ARG A 148 27.463 -11.271 -8.277 1.00 43.53 H new ATOM 0 HE ARG A 148 29.293 -10.180 -7.367 1.00 64.23 H new ATOM 0 HH11 ARG A 148 27.158 -7.834 -8.917 1.00 0.33 H new ATOM 0 HH12 ARG A 148 28.102 -6.443 -8.373 1.00 0.33 H new ATOM 0 HH21 ARG A 148 30.500 -8.389 -6.671 1.00 11.12 H new ATOM 0 HH22 ARG A 148 29.985 -6.755 -7.107 1.00 11.12 H new ATOM 525 N CYS A 149 26.131 -12.519 -12.282 1.00 51.43 N ATOM 526 CA CYS A 149 25.498 -13.826 -12.405 1.00 24.34 C ATOM 527 C CYS A 149 25.909 -14.739 -11.252 1.00 54.14 C ATOM 528 O CYS A 149 27.033 -14.664 -10.756 1.00 52.43 O ATOM 529 CB CYS A 149 25.871 -14.474 -13.740 1.00 1.41 C ATOM 530 SG CYS A 149 24.869 -15.934 -14.163 1.00 73.55 S ATOM 0 H CYS A 149 27.145 -12.550 -12.173 1.00 51.43 H new ATOM 0 HA CYS A 149 24.418 -13.684 -12.367 1.00 24.34 H new ATOM 0 HB2 CYS A 149 25.767 -13.733 -14.533 1.00 1.41 H new ATOM 0 HB3 CYS A 149 26.921 -14.764 -13.710 1.00 1.41 H new ATOM 535 N VAL A 150 24.989 -15.601 -10.831 1.00 72.35 N ATOM 536 CA VAL A 150 25.254 -16.530 -9.739 1.00 44.31 C ATOM 537 C VAL A 150 24.427 -17.802 -9.886 1.00 1.14 C ATOM 538 O VAL A 150 23.312 -17.790 -10.408 1.00 22.32 O ATOM 539 CB VAL A 150 24.952 -15.889 -8.372 1.00 1.44 C ATOM 540 CG1 VAL A 150 25.927 -14.757 -8.085 1.00 24.12 C ATOM 541 CG2 VAL A 150 23.516 -15.390 -8.323 1.00 74.41 C ATOM 0 H VAL A 150 24.053 -15.675 -11.230 1.00 72.35 H new ATOM 0 HA VAL A 150 26.313 -16.782 -9.788 1.00 44.31 H new ATOM 0 HB VAL A 150 25.076 -16.648 -7.600 1.00 1.44 H new ATOM 0 HG11 VAL A 150 25.698 -14.316 -7.115 1.00 24.12 H new ATOM 0 HG12 VAL A 150 26.945 -15.147 -8.075 1.00 24.12 H new ATOM 0 HG13 VAL A 150 25.838 -13.995 -8.859 1.00 24.12 H new ATOM 0 HG21 VAL A 150 23.320 -14.940 -7.350 1.00 74.41 H new ATOM 0 HG22 VAL A 150 23.363 -14.646 -9.104 1.00 74.41 H new ATOM 0 HG23 VAL A 150 22.835 -16.226 -8.480 1.00 74.41 H new ATOM 551 N PRO A 151 24.984 -18.927 -9.414 1.00 32.32 N ATOM 552 CA PRO A 151 24.314 -20.230 -9.480 1.00 2.31 C ATOM 553 C PRO A 151 23.115 -20.313 -8.542 1.00 21.23 C ATOM 554 O PRO A 151 23.228 -20.797 -7.415 1.00 60.12 O ATOM 555 CB PRO A 151 25.404 -21.212 -9.043 1.00 43.51 C ATOM 556 CG PRO A 151 26.327 -20.402 -8.199 1.00 20.12 C ATOM 557 CD PRO A 151 26.310 -19.015 -8.779 1.00 54.10 C ATOM 0 HA PRO A 151 23.912 -20.432 -10.473 1.00 2.31 H new ATOM 0 HB2 PRO A 151 24.983 -22.046 -8.481 1.00 43.51 H new ATOM 0 HB3 PRO A 151 25.923 -21.636 -9.903 1.00 43.51 H new ATOM 0 HG2 PRO A 151 25.999 -20.394 -7.159 1.00 20.12 H new ATOM 0 HG3 PRO A 151 27.334 -20.818 -8.213 1.00 20.12 H new ATOM 0 HD2 PRO A 151 26.437 -18.255 -8.008 1.00 54.10 H new ATOM 0 HD3 PRO A 151 27.112 -18.872 -9.503 1.00 54.10 H new ATOM 565 N PHE A 152 21.967 -19.839 -9.013 1.00 74.22 N ATOM 566 CA PHE A 152 20.746 -19.860 -8.216 1.00 30.04 C ATOM 567 C PHE A 152 20.483 -21.257 -7.660 1.00 52.25 C ATOM 568 O PHE A 152 20.359 -21.442 -6.451 1.00 23.24 O ATOM 569 CB PHE A 152 19.554 -19.400 -9.057 1.00 73.43 C ATOM 570 CG PHE A 152 18.347 -19.038 -8.240 1.00 32.33 C ATOM 571 CD1 PHE A 152 17.661 -20.008 -7.525 1.00 44.33 C ATOM 572 CD2 PHE A 152 17.898 -17.729 -8.185 1.00 42.41 C ATOM 573 CE1 PHE A 152 16.550 -19.677 -6.773 1.00 22.21 C ATOM 574 CE2 PHE A 152 16.788 -17.392 -7.434 1.00 13.00 C ATOM 575 CZ PHE A 152 16.114 -18.368 -6.726 1.00 55.42 C ATOM 0 H PHE A 152 21.856 -19.435 -9.943 1.00 74.22 H new ATOM 0 HA PHE A 152 20.877 -19.174 -7.379 1.00 30.04 H new ATOM 0 HB2 PHE A 152 19.852 -18.537 -9.653 1.00 73.43 H new ATOM 0 HB3 PHE A 152 19.285 -20.192 -9.756 1.00 73.43 H new ATOM 0 HD1 PHE A 152 17.999 -21.033 -7.556 1.00 44.33 H new ATOM 0 HD2 PHE A 152 18.422 -16.962 -8.736 1.00 42.41 H new ATOM 0 HE1 PHE A 152 16.023 -20.442 -6.222 1.00 22.21 H new ATOM 0 HE2 PHE A 152 16.448 -16.367 -7.401 1.00 13.00 H new ATOM 0 HZ PHE A 152 15.247 -18.107 -6.137 1.00 55.42 H new ATOM 585 N ASN A 153 20.398 -22.236 -8.555 1.00 34.10 N ATOM 586 CA ASN A 153 20.148 -23.616 -8.156 1.00 31.44 C ATOM 587 C ASN A 153 21.416 -24.456 -8.277 1.00 1.33 C ATOM 588 O ASN A 153 22.506 -23.924 -8.486 1.00 11.14 O ATOM 589 CB ASN A 153 19.037 -24.224 -9.014 1.00 34.43 C ATOM 590 CG ASN A 153 18.081 -25.078 -8.203 1.00 23.25 C ATOM 591 OD1 ASN A 153 17.898 -24.858 -7.005 1.00 41.12 O ATOM 592 ND2 ASN A 153 17.467 -26.060 -8.853 1.00 1.40 N ATOM 0 H ASN A 153 20.499 -22.099 -9.561 1.00 34.10 H new ATOM 0 HA ASN A 153 19.833 -23.614 -7.113 1.00 31.44 H new ATOM 0 HB2 ASN A 153 18.480 -23.424 -9.502 1.00 34.43 H new ATOM 0 HB3 ASN A 153 19.482 -24.831 -9.803 1.00 34.43 H new ATOM 0 HD21 ASN A 153 16.814 -26.668 -8.359 1.00 1.40 H new ATOM 0 HD22 ASN A 153 17.649 -26.206 -9.846 1.00 1.40 H new ATOM 599 N GLU A 154 21.265 -25.770 -8.145 1.00 14.24 N ATOM 600 CA GLU A 154 22.398 -26.682 -8.239 1.00 61.22 C ATOM 601 C GLU A 154 22.862 -26.825 -9.686 1.00 23.02 C ATOM 602 O GLU A 154 23.998 -26.488 -10.021 1.00 31.13 O ATOM 603 CB GLU A 154 22.025 -28.054 -7.674 1.00 25.32 C ATOM 604 CG GLU A 154 23.171 -29.052 -7.693 1.00 61.24 C ATOM 605 CD GLU A 154 24.420 -28.521 -7.017 1.00 15.44 C ATOM 606 OE1 GLU A 154 24.432 -28.443 -5.771 1.00 2.55 O ATOM 607 OE2 GLU A 154 25.384 -28.183 -7.734 1.00 43.32 O ATOM 0 H GLU A 154 20.369 -26.226 -7.973 1.00 14.24 H new ATOM 0 HA GLU A 154 23.217 -26.266 -7.652 1.00 61.22 H new ATOM 0 HB2 GLU A 154 21.677 -27.933 -6.648 1.00 25.32 H new ATOM 0 HB3 GLU A 154 21.192 -28.460 -8.248 1.00 25.32 H new ATOM 0 HG2 GLU A 154 22.856 -29.970 -7.197 1.00 61.24 H new ATOM 0 HG3 GLU A 154 23.404 -29.312 -8.726 1.00 61.24 H new ATOM 614 N SER A 155 21.975 -27.328 -10.539 1.00 5.42 N ATOM 615 CA SER A 155 22.295 -27.520 -11.949 1.00 14.24 C ATOM 616 C SER A 155 21.742 -26.375 -12.792 1.00 14.23 C ATOM 617 O SER A 155 21.532 -26.520 -13.996 1.00 61.21 O ATOM 618 CB SER A 155 21.730 -28.852 -12.444 1.00 74.33 C ATOM 619 OG SER A 155 20.313 -28.848 -12.416 1.00 11.25 O ATOM 0 H SER A 155 21.030 -27.610 -10.279 1.00 5.42 H new ATOM 0 HA SER A 155 23.380 -27.533 -12.052 1.00 14.24 H new ATOM 0 HB2 SER A 155 22.076 -29.042 -13.460 1.00 74.33 H new ATOM 0 HB3 SER A 155 22.107 -29.664 -11.822 1.00 74.33 H new ATOM 0 HG SER A 155 19.977 -29.710 -12.739 1.00 11.25 H new ATOM 625 N VAL A 156 21.507 -25.235 -12.149 1.00 52.14 N ATOM 626 CA VAL A 156 20.979 -24.064 -12.839 1.00 1.43 C ATOM 627 C VAL A 156 21.556 -22.778 -12.257 1.00 51.45 C ATOM 628 O VAL A 156 21.893 -22.714 -11.075 1.00 42.11 O ATOM 629 CB VAL A 156 19.442 -24.008 -12.755 1.00 2.14 C ATOM 630 CG1 VAL A 156 18.898 -22.904 -13.649 1.00 31.42 C ATOM 631 CG2 VAL A 156 18.839 -25.354 -13.128 1.00 5.21 C ATOM 0 H VAL A 156 21.674 -25.098 -11.152 1.00 52.14 H new ATOM 0 HA VAL A 156 21.275 -24.152 -13.884 1.00 1.43 H new ATOM 0 HB VAL A 156 19.159 -23.782 -11.727 1.00 2.14 H new ATOM 0 HG11 VAL A 156 17.811 -22.880 -13.577 1.00 31.42 H new ATOM 0 HG12 VAL A 156 19.304 -21.944 -13.330 1.00 31.42 H new ATOM 0 HG13 VAL A 156 19.189 -23.096 -14.682 1.00 31.42 H new ATOM 0 HG21 VAL A 156 17.752 -25.296 -13.063 1.00 5.21 H new ATOM 0 HG22 VAL A 156 19.129 -25.613 -14.146 1.00 5.21 H new ATOM 0 HG23 VAL A 156 19.203 -26.119 -12.442 1.00 5.21 H new ATOM 641 N LYS A 157 21.666 -21.753 -13.096 1.00 64.24 N ATOM 642 CA LYS A 157 22.201 -20.466 -12.667 1.00 73.30 C ATOM 643 C LYS A 157 21.402 -19.316 -13.273 1.00 25.31 C ATOM 644 O LYS A 157 20.913 -19.411 -14.399 1.00 63.31 O ATOM 645 CB LYS A 157 23.673 -20.344 -13.065 1.00 24.03 C ATOM 646 CG LYS A 157 23.914 -20.482 -14.558 1.00 53.11 C ATOM 647 CD LYS A 157 25.270 -21.101 -14.850 1.00 5.51 C ATOM 648 CE LYS A 157 26.368 -20.048 -14.879 1.00 62.13 C ATOM 649 NZ LYS A 157 26.481 -19.401 -16.216 1.00 33.21 N ATOM 0 H LYS A 157 21.391 -21.789 -14.078 1.00 64.24 H new ATOM 0 HA LYS A 157 22.119 -20.410 -11.582 1.00 73.30 H new ATOM 0 HB2 LYS A 157 24.051 -19.377 -12.732 1.00 24.03 H new ATOM 0 HB3 LYS A 157 24.247 -21.108 -12.541 1.00 24.03 H new ATOM 0 HG2 LYS A 157 23.130 -21.098 -14.998 1.00 53.11 H new ATOM 0 HG3 LYS A 157 23.852 -19.501 -15.029 1.00 53.11 H new ATOM 0 HD2 LYS A 157 25.501 -21.849 -14.091 1.00 5.51 H new ATOM 0 HD3 LYS A 157 25.236 -21.619 -15.808 1.00 5.51 H new ATOM 0 HE2 LYS A 157 26.163 -19.289 -14.124 1.00 62.13 H new ATOM 0 HE3 LYS A 157 27.320 -20.509 -14.617 1.00 62.13 H new ATOM 0 HZ1 LYS A 157 27.103 -18.570 -16.148 1.00 33.21 H new ATOM 0 HZ2 LYS A 157 26.881 -20.078 -16.897 1.00 33.21 H new ATOM 0 HZ3 LYS A 157 25.538 -19.102 -16.538 1.00 33.21 H new ATOM 663 N THR A 158 21.275 -18.228 -12.519 1.00 62.43 N ATOM 664 CA THR A 158 20.537 -17.060 -12.982 1.00 71.20 C ATOM 665 C THR A 158 21.363 -15.789 -12.823 1.00 64.12 C ATOM 666 O THR A 158 22.460 -15.815 -12.264 1.00 30.24 O ATOM 667 CB THR A 158 19.210 -16.895 -12.217 1.00 71.05 C ATOM 668 OG1 THR A 158 19.471 -16.612 -10.838 1.00 61.23 O ATOM 669 CG2 THR A 158 18.360 -18.152 -12.331 1.00 2.34 C ATOM 0 H THR A 158 21.674 -18.132 -11.585 1.00 62.43 H new ATOM 0 HA THR A 158 20.322 -17.220 -14.038 1.00 71.20 H new ATOM 0 HB THR A 158 18.662 -16.064 -12.660 1.00 71.05 H new ATOM 0 HG1 THR A 158 18.652 -16.285 -10.411 1.00 61.23 H new ATOM 0 HG21 THR A 158 17.428 -18.012 -11.783 1.00 2.34 H new ATOM 0 HG22 THR A 158 18.138 -18.347 -13.380 1.00 2.34 H new ATOM 0 HG23 THR A 158 18.904 -18.998 -11.911 1.00 2.34 H new ATOM 677 N CYS A 159 20.831 -14.677 -13.318 1.00 53.11 N ATOM 678 CA CYS A 159 21.519 -13.395 -13.231 1.00 54.51 C ATOM 679 C CYS A 159 20.791 -12.451 -12.278 1.00 5.34 C ATOM 680 O CYS A 159 19.584 -12.570 -12.072 1.00 22.02 O ATOM 681 CB CYS A 159 21.626 -12.755 -14.617 1.00 12.54 C ATOM 682 SG CYS A 159 23.337 -12.513 -15.194 1.00 14.22 S ATOM 0 H CYS A 159 19.925 -14.638 -13.784 1.00 53.11 H new ATOM 0 HA CYS A 159 22.521 -13.574 -12.842 1.00 54.51 H new ATOM 0 HB2 CYS A 159 21.096 -13.380 -15.336 1.00 12.54 H new ATOM 0 HB3 CYS A 159 21.120 -11.790 -14.600 1.00 12.54 H new ATOM 687 N GLU A 160 21.536 -11.513 -11.699 1.00 70.33 N ATOM 688 CA GLU A 160 20.962 -10.550 -10.768 1.00 12.25 C ATOM 689 C GLU A 160 20.106 -9.524 -11.504 1.00 52.25 C ATOM 690 O GLU A 160 20.495 -9.013 -12.555 1.00 24.13 O ATOM 691 CB GLU A 160 22.070 -9.840 -9.987 1.00 14.43 C ATOM 692 CG GLU A 160 21.576 -8.660 -9.166 1.00 34.10 C ATOM 693 CD GLU A 160 22.697 -7.947 -8.436 1.00 1.20 C ATOM 694 OE1 GLU A 160 23.213 -8.510 -7.448 1.00 64.00 O ATOM 695 OE2 GLU A 160 23.058 -6.826 -8.852 1.00 21.21 O ATOM 0 H GLU A 160 22.537 -11.401 -11.859 1.00 70.33 H new ATOM 0 HA GLU A 160 20.326 -11.094 -10.070 1.00 12.25 H new ATOM 0 HB2 GLU A 160 22.552 -10.558 -9.323 1.00 14.43 H new ATOM 0 HB3 GLU A 160 22.830 -9.492 -10.686 1.00 14.43 H new ATOM 0 HG2 GLU A 160 21.068 -7.953 -9.822 1.00 34.10 H new ATOM 0 HG3 GLU A 160 20.840 -9.009 -8.442 1.00 34.10 H new ATOM 702 N VAL A 161 18.936 -9.227 -10.946 1.00 64.13 N ATOM 703 CA VAL A 161 18.025 -8.262 -11.549 1.00 74.10 C ATOM 704 C VAL A 161 17.396 -7.364 -10.490 1.00 4.34 C ATOM 705 O VAL A 161 17.561 -7.591 -9.291 1.00 42.14 O ATOM 706 CB VAL A 161 16.905 -8.965 -12.339 1.00 62.54 C ATOM 707 CG1 VAL A 161 17.495 -9.910 -13.376 1.00 3.52 C ATOM 708 CG2 VAL A 161 15.975 -9.712 -11.395 1.00 52.40 C ATOM 0 H VAL A 161 18.597 -9.641 -10.078 1.00 64.13 H new ATOM 0 HA VAL A 161 18.617 -7.654 -12.233 1.00 74.10 H new ATOM 0 HB VAL A 161 16.323 -8.207 -12.862 1.00 62.54 H new ATOM 0 HG11 VAL A 161 16.689 -10.398 -13.924 1.00 3.52 H new ATOM 0 HG12 VAL A 161 18.117 -9.345 -14.071 1.00 3.52 H new ATOM 0 HG13 VAL A 161 18.102 -10.665 -12.877 1.00 3.52 H new ATOM 0 HG21 VAL A 161 15.190 -10.203 -11.970 1.00 52.40 H new ATOM 0 HG22 VAL A 161 16.542 -10.461 -10.843 1.00 52.40 H new ATOM 0 HG23 VAL A 161 15.526 -9.008 -10.695 1.00 52.40 H new ATOM 718 N ALA A 162 16.675 -6.342 -10.940 1.00 31.52 N ATOM 719 CA ALA A 162 16.019 -5.411 -10.031 1.00 2.33 C ATOM 720 C ALA A 162 14.508 -5.416 -10.235 1.00 41.53 C ATOM 721 O ALA A 162 14.001 -4.838 -11.196 1.00 73.55 O ATOM 722 CB ALA A 162 16.575 -4.007 -10.222 1.00 22.42 C ATOM 0 H ALA A 162 16.531 -6.138 -11.929 1.00 31.52 H new ATOM 0 HA ALA A 162 16.222 -5.735 -9.010 1.00 2.33 H new ATOM 0 HB1 ALA A 162 16.076 -3.322 -9.537 1.00 22.42 H new ATOM 0 HB2 ALA A 162 17.646 -4.009 -10.018 1.00 22.42 H new ATOM 0 HB3 ALA A 162 16.402 -3.684 -11.248 1.00 22.42 H new ATOM 728 N ALA A 163 13.795 -6.071 -9.326 1.00 34.12 N ATOM 729 CA ALA A 163 12.341 -6.150 -9.406 1.00 43.33 C ATOM 730 C ALA A 163 11.723 -6.316 -8.022 1.00 60.23 C ATOM 731 O ALA A 163 12.422 -6.265 -7.010 1.00 74.11 O ATOM 732 CB ALA A 163 11.924 -7.297 -10.314 1.00 63.13 C ATOM 0 H ALA A 163 14.200 -6.555 -8.525 1.00 34.12 H new ATOM 0 HA ALA A 163 11.974 -5.215 -9.829 1.00 43.33 H new ATOM 0 HB1 ALA A 163 10.836 -7.344 -10.364 1.00 63.13 H new ATOM 0 HB2 ALA A 163 12.327 -7.135 -11.314 1.00 63.13 H new ATOM 0 HB3 ALA A 163 12.310 -8.235 -9.915 1.00 63.13 H new ATOM 738 N TRP A 164 10.410 -6.514 -7.986 1.00 64.42 N ATOM 739 CA TRP A 164 9.698 -6.688 -6.725 1.00 42.42 C ATOM 740 C TRP A 164 9.715 -8.148 -6.287 1.00 0.34 C ATOM 741 O TRP A 164 8.998 -8.981 -6.841 1.00 71.10 O ATOM 742 CB TRP A 164 8.255 -6.199 -6.860 1.00 30.14 C ATOM 743 CG TRP A 164 7.461 -6.338 -5.596 1.00 52.02 C ATOM 744 CD1 TRP A 164 6.294 -7.029 -5.433 1.00 41.03 C ATOM 745 CD2 TRP A 164 7.775 -5.770 -4.320 1.00 15.10 C ATOM 746 NE1 TRP A 164 5.864 -6.925 -4.133 1.00 13.35 N ATOM 747 CE2 TRP A 164 6.755 -6.158 -3.429 1.00 72.21 C ATOM 748 CE3 TRP A 164 8.818 -4.973 -3.843 1.00 3.14 C ATOM 749 CZ2 TRP A 164 6.750 -5.775 -2.091 1.00 2.33 C ATOM 750 CZ3 TRP A 164 8.812 -4.593 -2.514 1.00 42.20 C ATOM 751 CH2 TRP A 164 7.784 -4.994 -1.650 1.00 64.33 C ATOM 0 H TRP A 164 9.817 -6.558 -8.815 1.00 64.42 H new ATOM 0 HA TRP A 164 10.206 -6.095 -5.964 1.00 42.42 H new ATOM 0 HB2 TRP A 164 8.260 -5.152 -7.164 1.00 30.14 H new ATOM 0 HB3 TRP A 164 7.762 -6.759 -7.654 1.00 30.14 H new ATOM 0 HD1 TRP A 164 5.784 -7.577 -6.212 1.00 41.03 H new ATOM 0 HE1 TRP A 164 5.018 -7.350 -3.753 1.00 13.35 H new ATOM 0 HE3 TRP A 164 9.615 -4.659 -4.501 1.00 3.14 H new ATOM 0 HZ2 TRP A 164 5.958 -6.083 -1.424 1.00 2.33 H new ATOM 0 HZ3 TRP A 164 9.613 -3.976 -2.135 1.00 42.20 H new ATOM 0 HH2 TRP A 164 7.808 -4.681 -0.617 1.00 64.33 H new ATOM 762 N CYS A 165 10.537 -8.452 -5.288 1.00 44.30 N ATOM 763 CA CYS A 165 10.648 -9.812 -4.775 1.00 12.33 C ATOM 764 C CYS A 165 10.677 -9.817 -3.249 1.00 43.40 C ATOM 765 O CYS A 165 11.034 -8.829 -2.607 1.00 44.40 O ATOM 766 CB CYS A 165 11.908 -10.485 -5.322 1.00 71.02 C ATOM 767 SG CYS A 165 13.404 -9.450 -5.229 1.00 23.34 S ATOM 0 H CYS A 165 11.136 -7.774 -4.817 1.00 44.30 H new ATOM 0 HA CYS A 165 9.773 -10.371 -5.106 1.00 12.33 H new ATOM 0 HB2 CYS A 165 12.083 -11.408 -4.769 1.00 71.02 H new ATOM 0 HB3 CYS A 165 11.736 -10.764 -6.362 1.00 71.02 H new ATOM 772 N PRO A 166 10.293 -10.955 -2.654 1.00 21.44 N ATOM 773 CA PRO A 166 10.267 -11.117 -1.197 1.00 24.41 C ATOM 774 C PRO A 166 11.667 -11.159 -0.593 1.00 61.14 C ATOM 775 O PRO A 166 12.433 -12.090 -0.841 1.00 22.53 O ATOM 776 CB PRO A 166 9.561 -12.461 -1.002 1.00 32.21 C ATOM 777 CG PRO A 166 9.811 -13.208 -2.267 1.00 11.24 C ATOM 778 CD PRO A 166 9.855 -12.173 -3.357 1.00 11.24 C ATOM 0 HA PRO A 166 9.769 -10.282 -0.703 1.00 24.41 H new ATOM 0 HB2 PRO A 166 9.960 -12.996 -0.141 1.00 32.21 H new ATOM 0 HB3 PRO A 166 8.494 -12.326 -0.827 1.00 32.21 H new ATOM 0 HG2 PRO A 166 10.749 -13.760 -2.215 1.00 11.24 H new ATOM 0 HG3 PRO A 166 9.022 -13.937 -2.452 1.00 11.24 H new ATOM 0 HD2 PRO A 166 10.551 -12.452 -4.148 1.00 11.24 H new ATOM 0 HD3 PRO A 166 8.879 -12.039 -3.823 1.00 11.24 H new ATOM 786 N VAL A 167 11.995 -10.144 0.200 1.00 61.11 N ATOM 787 CA VAL A 167 13.303 -10.066 0.840 1.00 14.22 C ATOM 788 C VAL A 167 13.184 -10.214 2.353 1.00 74.32 C ATOM 789 O VAL A 167 12.740 -9.297 3.044 1.00 62.31 O ATOM 790 CB VAL A 167 14.006 -8.733 0.520 1.00 74.30 C ATOM 791 CG1 VAL A 167 15.434 -8.744 1.042 1.00 64.24 C ATOM 792 CG2 VAL A 167 13.978 -8.463 -0.977 1.00 13.12 C ATOM 0 H VAL A 167 11.373 -9.364 0.415 1.00 61.11 H new ATOM 0 HA VAL A 167 13.899 -10.887 0.443 1.00 14.22 H new ATOM 0 HB VAL A 167 13.468 -7.928 1.021 1.00 74.30 H new ATOM 0 HG11 VAL A 167 15.915 -7.794 0.807 1.00 64.24 H new ATOM 0 HG12 VAL A 167 15.425 -8.889 2.122 1.00 64.24 H new ATOM 0 HG13 VAL A 167 15.987 -9.557 0.572 1.00 64.24 H new ATOM 0 HG21 VAL A 167 14.479 -7.518 -1.186 1.00 13.12 H new ATOM 0 HG22 VAL A 167 14.491 -9.269 -1.502 1.00 13.12 H new ATOM 0 HG23 VAL A 167 12.944 -8.409 -1.318 1.00 13.12 H new TER 802 VAL A 167