USER MOD reduce.3.24.130724 H: found=0, std=0, add=384, rem=0, adj=15 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 Set 1.1: A 123 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 124 SER OG : rot 180:sc= -0.366 USER MOD Single : A 110 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 111 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 112 THR OG1 : rot 136:sc= 2.07 USER MOD Single : A 113 GLN : amide:sc= -0.582 K(o=-0.58,f=-2.3) USER MOD Single : A 114 SER OG : rot -36:sc= 0.664 USER MOD Single : A 115 THR OG1 : rot 180:sc= 0.0111 USER MOD Single : A 122 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 127 ASN : amide:sc= -0.145 X(o=-0.14,f=-0.052) 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 66:sc= 0.0123 USER MOD Single : A 139 THR OG1 : rot 180:sc= -0.0438 USER MOD Single : A 140 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 141 SER OG : rot -173:sc= -0.757 USER MOD Single : A 142 SER OG : rot -51:sc= 0.0892 USER MOD Single : A 146 THR OG1 : rot 180:sc= 0 USER MOD Single : A 153 ASN : amide:sc= -0.341 K(o=-0.34,f=-2.4!) USER MOD Single : A 155 SER OG : rot 180:sc= 0 USER MOD Single : A 157 LYS NZ :NH3+ -131:sc= 0 (180deg=-0.388) USER MOD Single : A 158 THR OG1 : rot 169:sc= -0.27 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 110 2.974 4.558 -4.840 1.00 0.43 N ATOM 2 CA MET A 110 3.619 3.793 -3.779 1.00 73.31 C ATOM 3 C MET A 110 4.211 2.498 -4.326 1.00 74.34 C ATOM 4 O MET A 110 3.574 1.446 -4.279 1.00 74.22 O ATOM 5 CB MET A 110 2.617 3.479 -2.666 1.00 70.12 C ATOM 6 CG MET A 110 3.234 2.758 -1.479 1.00 31.32 C ATOM 7 SD MET A 110 1.999 2.178 -0.300 1.00 71.10 S ATOM 8 CE MET A 110 2.814 2.545 1.252 1.00 15.42 C ATOM 0 HA MET A 110 4.428 4.398 -3.370 1.00 73.31 H new ATOM 0 HB2 MET A 110 2.166 4.409 -2.321 1.00 70.12 H new ATOM 0 HB3 MET A 110 1.813 2.867 -3.074 1.00 70.12 H new ATOM 0 HG2 MET A 110 3.816 1.909 -1.837 1.00 31.32 H new ATOM 0 HG3 MET A 110 3.928 3.429 -0.972 1.00 31.32 H new ATOM 0 HE1 MET A 110 2.173 2.242 2.080 1.00 15.42 H new ATOM 0 HE2 MET A 110 3.757 2.001 1.305 1.00 15.42 H new ATOM 0 HE3 MET A 110 3.009 3.616 1.316 1.00 15.42 H new ATOM 18 N GLN A 111 5.431 2.583 -4.845 1.00 64.00 N ATOM 19 CA GLN A 111 6.107 1.417 -5.402 1.00 4.31 C ATOM 20 C GLN A 111 7.451 1.188 -4.717 1.00 51.44 C ATOM 21 O GLN A 111 7.954 2.059 -4.006 1.00 64.14 O ATOM 22 CB GLN A 111 6.312 1.591 -6.908 1.00 10.12 C ATOM 23 CG GLN A 111 6.377 0.277 -7.669 1.00 35.32 C ATOM 24 CD GLN A 111 6.324 0.469 -9.172 1.00 12.14 C ATOM 25 OE1 GLN A 111 7.357 0.528 -9.838 1.00 45.21 O ATOM 26 NE2 GLN A 111 5.116 0.568 -9.714 1.00 12.00 N ATOM 0 H GLN A 111 5.972 3.447 -4.892 1.00 64.00 H new ATOM 0 HA GLN A 111 5.477 0.545 -5.227 1.00 4.31 H new ATOM 0 HB2 GLN A 111 5.498 2.194 -7.310 1.00 10.12 H new ATOM 0 HB3 GLN A 111 7.234 2.146 -7.079 1.00 10.12 H new ATOM 0 HG2 GLN A 111 7.297 -0.246 -7.406 1.00 35.32 H new ATOM 0 HG3 GLN A 111 5.548 -0.360 -7.359 1.00 35.32 H new ATOM 0 HE21 GLN A 111 4.286 0.514 -9.124 1.00 12.00 H new ATOM 0 HE22 GLN A 111 5.018 0.698 -10.721 1.00 12.00 H new ATOM 35 N THR A 112 8.028 0.011 -4.936 1.00 30.23 N ATOM 36 CA THR A 112 9.312 -0.333 -4.339 1.00 22.41 C ATOM 37 C THR A 112 10.067 -1.340 -5.200 1.00 53.32 C ATOM 38 O THR A 112 9.519 -2.371 -5.589 1.00 12.13 O ATOM 39 CB THR A 112 9.136 -0.916 -2.924 1.00 20.11 C ATOM 40 OG1 THR A 112 7.905 -1.643 -2.843 1.00 60.23 O ATOM 41 CG2 THR A 112 9.148 0.189 -1.878 1.00 73.24 C ATOM 0 H THR A 112 7.626 -0.720 -5.523 1.00 30.23 H new ATOM 0 HA THR A 112 9.888 0.590 -4.275 1.00 22.41 H new ATOM 0 HB THR A 112 9.969 -1.590 -2.727 1.00 20.11 H new ATOM 0 HG1 THR A 112 8.056 -2.491 -2.375 1.00 60.23 H new ATOM 0 HG21 THR A 112 9.022 -0.247 -0.887 1.00 73.24 H new ATOM 0 HG22 THR A 112 10.098 0.722 -1.922 1.00 73.24 H new ATOM 0 HG23 THR A 112 8.332 0.885 -2.075 1.00 73.24 H new ATOM 49 N GLN A 113 11.326 -1.033 -5.494 1.00 62.31 N ATOM 50 CA GLN A 113 12.155 -1.913 -6.310 1.00 43.50 C ATOM 51 C GLN A 113 13.355 -2.419 -5.517 1.00 65.31 C ATOM 52 O GLN A 113 14.110 -1.633 -4.944 1.00 62.45 O ATOM 53 CB GLN A 113 12.631 -1.179 -7.565 1.00 61.44 C ATOM 54 CG GLN A 113 13.162 0.218 -7.289 1.00 41.04 C ATOM 55 CD GLN A 113 12.062 1.260 -7.235 1.00 44.13 C ATOM 56 OE1 GLN A 113 11.694 1.735 -6.161 1.00 1.52 O ATOM 57 NE2 GLN A 113 11.531 1.621 -8.397 1.00 42.44 N ATOM 0 H GLN A 113 11.794 -0.183 -5.180 1.00 62.31 H new ATOM 0 HA GLN A 113 11.550 -2.770 -6.606 1.00 43.50 H new ATOM 0 HB2 GLN A 113 13.413 -1.767 -8.045 1.00 61.44 H new ATOM 0 HB3 GLN A 113 11.804 -1.111 -8.272 1.00 61.44 H new ATOM 0 HG2 GLN A 113 13.703 0.217 -6.343 1.00 41.04 H new ATOM 0 HG3 GLN A 113 13.878 0.490 -8.065 1.00 41.04 H new ATOM 0 HE21 GLN A 113 11.867 1.201 -9.264 1.00 42.44 H new ATOM 0 HE22 GLN A 113 10.787 2.318 -8.423 1.00 42.44 H new ATOM 66 N SER A 114 13.525 -3.737 -5.488 1.00 24.31 N ATOM 67 CA SER A 114 14.632 -4.349 -4.762 1.00 33.55 C ATOM 68 C SER A 114 15.526 -5.147 -5.706 1.00 4.14 C ATOM 69 O SER A 114 15.196 -5.345 -6.875 1.00 53.34 O ATOM 70 CB SER A 114 14.100 -5.261 -3.653 1.00 40.45 C ATOM 71 OG SER A 114 13.691 -6.513 -4.175 1.00 50.04 O ATOM 0 H SER A 114 12.911 -4.401 -5.959 1.00 24.31 H new ATOM 0 HA SER A 114 15.226 -3.552 -4.315 1.00 33.55 H new ATOM 0 HB2 SER A 114 14.873 -5.413 -2.900 1.00 40.45 H new ATOM 0 HB3 SER A 114 13.259 -4.779 -3.154 1.00 40.45 H new ATOM 0 HG SER A 114 13.296 -6.384 -5.063 1.00 50.04 H new ATOM 77 N THR A 115 16.663 -5.603 -5.189 1.00 62.51 N ATOM 78 CA THR A 115 17.607 -6.378 -5.984 1.00 62.24 C ATOM 79 C THR A 115 17.548 -7.857 -5.621 1.00 25.43 C ATOM 80 O THR A 115 17.414 -8.215 -4.450 1.00 14.40 O ATOM 81 CB THR A 115 19.050 -5.872 -5.795 1.00 54.32 C ATOM 82 OG1 THR A 115 19.247 -5.451 -4.441 1.00 24.12 O ATOM 83 CG2 THR A 115 19.345 -4.716 -6.739 1.00 2.31 C ATOM 0 H THR A 115 16.952 -5.449 -4.223 1.00 62.51 H new ATOM 0 HA THR A 115 17.319 -6.251 -7.028 1.00 62.24 H new ATOM 0 HB THR A 115 19.733 -6.691 -6.024 1.00 54.32 H new ATOM 0 HG1 THR A 115 20.167 -5.132 -4.328 1.00 24.12 H new ATOM 0 HG21 THR A 115 20.369 -4.375 -6.588 1.00 2.31 H new ATOM 0 HG22 THR A 115 19.221 -5.048 -7.770 1.00 2.31 H new ATOM 0 HG23 THR A 115 18.656 -3.896 -6.536 1.00 2.31 H new ATOM 91 N CYS A 116 17.651 -8.715 -6.631 1.00 1.23 N ATOM 92 CA CYS A 116 17.610 -10.156 -6.418 1.00 30.42 C ATOM 93 C CYS A 116 17.732 -10.905 -7.742 1.00 33.52 C ATOM 94 O CYS A 116 17.429 -10.378 -8.812 1.00 40.12 O ATOM 95 CB CYS A 116 16.311 -10.552 -5.713 1.00 20.11 C ATOM 96 SG CYS A 116 14.821 -9.761 -6.400 1.00 42.25 S ATOM 0 H CYS A 116 17.764 -8.436 -7.606 1.00 1.23 H new ATOM 0 HA CYS A 116 18.456 -10.429 -5.787 1.00 30.42 H new ATOM 0 HB2 CYS A 116 16.194 -11.634 -5.771 1.00 20.11 H new ATOM 0 HB3 CYS A 116 16.391 -10.296 -4.657 1.00 20.11 H new ATOM 101 N PRO A 117 18.185 -12.166 -7.669 1.00 43.40 N ATOM 102 CA PRO A 117 18.357 -13.015 -8.852 1.00 12.24 C ATOM 103 C PRO A 117 17.024 -13.426 -9.468 1.00 21.20 C ATOM 104 O PRO A 117 16.104 -13.838 -8.762 1.00 5.44 O ATOM 105 CB PRO A 117 19.094 -14.240 -8.305 1.00 11.23 C ATOM 106 CG PRO A 117 18.728 -14.289 -6.861 1.00 41.04 C ATOM 107 CD PRO A 117 18.565 -12.859 -6.427 1.00 2.24 C ATOM 0 HA PRO A 117 18.892 -12.500 -9.650 1.00 12.24 H new ATOM 0 HB2 PRO A 117 18.788 -15.150 -8.822 1.00 11.23 H new ATOM 0 HB3 PRO A 117 20.172 -14.145 -8.437 1.00 11.23 H new ATOM 0 HG2 PRO A 117 17.806 -14.850 -6.711 1.00 41.04 H new ATOM 0 HG3 PRO A 117 19.503 -14.788 -6.279 1.00 41.04 H new ATOM 0 HD2 PRO A 117 17.798 -12.757 -5.659 1.00 2.24 H new ATOM 0 HD3 PRO A 117 19.489 -12.458 -6.010 1.00 2.24 H new ATOM 115 N GLU A 118 16.928 -13.312 -10.789 1.00 61.50 N ATOM 116 CA GLU A 118 15.707 -13.673 -11.499 1.00 54.13 C ATOM 117 C GLU A 118 15.476 -15.181 -11.454 1.00 51.34 C ATOM 118 O GLU A 118 16.420 -15.966 -11.545 1.00 33.43 O ATOM 119 CB GLU A 118 15.777 -13.200 -12.953 1.00 12.43 C ATOM 120 CG GLU A 118 14.450 -13.293 -13.688 1.00 3.32 C ATOM 121 CD GLU A 118 14.279 -14.611 -14.417 1.00 73.10 C ATOM 122 OE1 GLU A 118 15.293 -15.160 -14.896 1.00 43.21 O ATOM 123 OE2 GLU A 118 13.131 -15.094 -14.509 1.00 52.21 O ATOM 0 H GLU A 118 17.680 -12.973 -11.388 1.00 61.50 H new ATOM 0 HA GLU A 118 14.871 -13.180 -11.004 1.00 54.13 H new ATOM 0 HB2 GLU A 118 16.123 -12.166 -12.974 1.00 12.43 H new ATOM 0 HB3 GLU A 118 16.520 -13.795 -13.484 1.00 12.43 H new ATOM 0 HG2 GLU A 118 13.635 -13.168 -12.976 1.00 3.32 H new ATOM 0 HG3 GLU A 118 14.377 -12.474 -14.404 1.00 3.32 H new ATOM 130 N ILE A 119 14.215 -15.576 -11.314 1.00 23.32 N ATOM 131 CA ILE A 119 13.860 -16.989 -11.257 1.00 43.14 C ATOM 132 C ILE A 119 14.369 -17.733 -12.487 1.00 65.21 C ATOM 133 O ILE A 119 14.198 -17.294 -13.624 1.00 60.04 O ATOM 134 CB ILE A 119 12.336 -17.183 -11.149 1.00 3.55 C ATOM 135 CG1 ILE A 119 11.791 -16.433 -9.931 1.00 53.25 C ATOM 136 CG2 ILE A 119 11.995 -18.663 -11.062 1.00 42.34 C ATOM 137 CD1 ILE A 119 10.293 -16.563 -9.763 1.00 40.22 C ATOM 0 H ILE A 119 13.423 -14.938 -11.238 1.00 23.32 H new ATOM 0 HA ILE A 119 14.334 -17.398 -10.365 1.00 43.14 H new ATOM 0 HB ILE A 119 11.868 -16.775 -12.045 1.00 3.55 H new ATOM 0 HG12 ILE A 119 12.283 -16.808 -9.033 1.00 53.25 H new ATOM 0 HG13 ILE A 119 12.049 -15.378 -10.019 1.00 53.25 H new ATOM 0 HG21 ILE A 119 10.914 -18.784 -10.986 1.00 42.34 H new ATOM 0 HG22 ILE A 119 12.355 -19.172 -11.956 1.00 42.34 H new ATOM 0 HG23 ILE A 119 12.471 -19.095 -10.182 1.00 42.34 H new ATOM 0 HD11 ILE A 119 9.976 -16.007 -8.881 1.00 40.22 H new ATOM 0 HD12 ILE A 119 9.792 -16.162 -10.644 1.00 40.22 H new ATOM 0 HD13 ILE A 119 10.030 -17.614 -9.643 1.00 40.22 H new ATOM 149 N PRO A 120 15.010 -18.889 -12.256 1.00 52.02 N ATOM 150 CA PRO A 120 15.555 -19.721 -13.333 1.00 41.21 C ATOM 151 C PRO A 120 14.462 -20.380 -14.167 1.00 14.12 C ATOM 152 O PRO A 120 13.385 -20.694 -13.659 1.00 20.21 O ATOM 153 CB PRO A 120 16.369 -20.780 -12.586 1.00 3.24 C ATOM 154 CG PRO A 120 15.740 -20.860 -11.238 1.00 34.31 C ATOM 155 CD PRO A 120 15.250 -19.473 -10.926 1.00 22.10 C ATOM 0 HA PRO A 120 16.140 -19.136 -14.043 1.00 41.21 H new ATOM 0 HB2 PRO A 120 16.332 -21.742 -13.098 1.00 3.24 H new ATOM 0 HB3 PRO A 120 17.419 -20.496 -12.517 1.00 3.24 H new ATOM 0 HG2 PRO A 120 14.917 -21.575 -11.233 1.00 34.31 H new ATOM 0 HG3 PRO A 120 16.459 -21.197 -10.491 1.00 34.31 H new ATOM 0 HD2 PRO A 120 14.340 -19.494 -10.326 1.00 22.10 H new ATOM 0 HD3 PRO A 120 15.989 -18.902 -10.364 1.00 22.10 H new ATOM 163 N ASP A 121 14.745 -20.587 -15.448 1.00 52.30 N ATOM 164 CA ASP A 121 13.785 -21.210 -16.352 1.00 64.31 C ATOM 165 C ASP A 121 14.461 -22.273 -17.213 1.00 22.22 C ATOM 166 O ASP A 121 15.625 -22.134 -17.591 1.00 33.13 O ATOM 167 CB ASP A 121 13.132 -20.154 -17.244 1.00 53.22 C ATOM 168 CG ASP A 121 11.730 -19.798 -16.789 1.00 22.14 C ATOM 169 OD1 ASP A 121 11.577 -19.355 -15.631 1.00 12.20 O ATOM 170 OD2 ASP A 121 10.787 -19.962 -17.590 1.00 32.01 O ATOM 0 H ASP A 121 15.631 -20.333 -15.884 1.00 52.30 H new ATOM 0 HA ASP A 121 13.015 -21.691 -15.749 1.00 64.31 H new ATOM 0 HB2 ASP A 121 13.748 -19.255 -17.249 1.00 53.22 H new ATOM 0 HB3 ASP A 121 13.096 -20.521 -18.270 1.00 53.22 H new ATOM 175 N LYS A 122 13.725 -23.336 -17.518 1.00 54.15 N ATOM 176 CA LYS A 122 14.251 -24.423 -18.335 1.00 23.45 C ATOM 177 C LYS A 122 14.624 -23.927 -19.728 1.00 4.24 C ATOM 178 O LYS A 122 15.365 -24.588 -20.457 1.00 11.14 O ATOM 179 CB LYS A 122 13.223 -25.552 -18.442 1.00 41.22 C ATOM 180 CG LYS A 122 13.394 -26.633 -17.389 1.00 62.14 C ATOM 181 CD LYS A 122 14.643 -27.462 -17.639 1.00 2.31 C ATOM 182 CE LYS A 122 15.097 -28.180 -16.377 1.00 72.24 C ATOM 183 NZ LYS A 122 14.383 -29.473 -16.188 1.00 71.35 N ATOM 0 H LYS A 122 12.761 -23.468 -17.211 1.00 54.15 H new ATOM 0 HA LYS A 122 15.151 -24.804 -17.852 1.00 23.45 H new ATOM 0 HB2 LYS A 122 12.222 -25.129 -18.357 1.00 41.22 H new ATOM 0 HB3 LYS A 122 13.295 -26.005 -19.431 1.00 41.22 H new ATOM 0 HG2 LYS A 122 13.452 -26.175 -16.402 1.00 62.14 H new ATOM 0 HG3 LYS A 122 12.519 -27.283 -17.388 1.00 62.14 H new ATOM 0 HD2 LYS A 122 14.445 -28.193 -18.423 1.00 2.31 H new ATOM 0 HD3 LYS A 122 15.444 -26.816 -18.000 1.00 2.31 H new ATOM 0 HE2 LYS A 122 16.170 -28.362 -16.429 1.00 72.24 H new ATOM 0 HE3 LYS A 122 14.924 -27.539 -15.512 1.00 72.24 H new ATOM 0 HZ1 LYS A 122 14.720 -29.932 -15.318 1.00 71.35 H new ATOM 0 HZ2 LYS A 122 13.361 -29.297 -16.113 1.00 71.35 H new ATOM 0 HZ3 LYS A 122 14.569 -30.094 -17.001 1.00 71.35 H new ATOM 197 N THR A 123 14.108 -22.757 -20.092 1.00 62.11 N ATOM 198 CA THR A 123 14.387 -22.172 -21.397 1.00 44.23 C ATOM 199 C THR A 123 15.149 -20.859 -21.259 1.00 45.25 C ATOM 200 O THR A 123 15.714 -20.353 -22.229 1.00 55.35 O ATOM 201 CB THR A 123 13.090 -21.919 -22.189 1.00 3.23 C ATOM 202 OG1 THR A 123 12.083 -21.385 -21.321 1.00 65.54 O ATOM 203 CG2 THR A 123 12.587 -23.204 -22.828 1.00 61.21 C ATOM 0 H THR A 123 13.495 -22.196 -19.501 1.00 62.11 H new ATOM 0 HA THR A 123 15.001 -22.890 -21.940 1.00 44.23 H new ATOM 0 HB THR A 123 13.307 -21.200 -22.979 1.00 3.23 H new ATOM 0 HG1 THR A 123 11.262 -21.225 -21.832 1.00 65.54 H new ATOM 0 HG21 THR A 123 11.670 -23.000 -23.382 1.00 61.21 H new ATOM 0 HG22 THR A 123 13.344 -23.592 -23.509 1.00 61.21 H new ATOM 0 HG23 THR A 123 12.385 -23.942 -22.051 1.00 61.21 H new ATOM 211 N SER A 124 15.163 -20.312 -20.048 1.00 52.01 N ATOM 212 CA SER A 124 15.854 -19.055 -19.784 1.00 73.22 C ATOM 213 C SER A 124 17.017 -19.267 -18.820 1.00 12.21 C ATOM 214 O SER A 124 16.815 -19.563 -17.642 1.00 15.32 O ATOM 215 CB SER A 124 14.880 -18.025 -19.209 1.00 3.33 C ATOM 216 OG SER A 124 13.540 -18.357 -19.525 1.00 74.40 O ATOM 0 H SER A 124 14.704 -20.720 -19.234 1.00 52.01 H new ATOM 0 HA SER A 124 16.251 -18.681 -20.728 1.00 73.22 H new ATOM 0 HB2 SER A 124 14.999 -17.972 -18.127 1.00 3.33 H new ATOM 0 HB3 SER A 124 15.116 -17.037 -19.604 1.00 3.33 H new ATOM 0 HG SER A 124 12.938 -17.684 -19.145 1.00 74.40 H new ATOM 222 N ILE A 125 18.234 -19.113 -19.329 1.00 5.01 N ATOM 223 CA ILE A 125 19.430 -19.286 -18.514 1.00 2.14 C ATOM 224 C ILE A 125 20.300 -18.034 -18.541 1.00 43.13 C ATOM 225 O ILE A 125 20.169 -17.193 -19.431 1.00 13.53 O ATOM 226 CB ILE A 125 20.266 -20.489 -18.988 1.00 63.04 C ATOM 227 CG1 ILE A 125 19.361 -21.553 -19.612 1.00 54.24 C ATOM 228 CG2 ILE A 125 21.059 -21.074 -17.829 1.00 34.12 C ATOM 229 CD1 ILE A 125 18.301 -22.075 -18.667 1.00 5.21 C ATOM 0 H ILE A 125 18.418 -18.869 -20.302 1.00 5.01 H new ATOM 0 HA ILE A 125 19.092 -19.469 -17.494 1.00 2.14 H new ATOM 0 HB ILE A 125 20.969 -20.146 -19.747 1.00 63.04 H new ATOM 0 HG12 ILE A 125 18.876 -21.134 -20.494 1.00 54.24 H new ATOM 0 HG13 ILE A 125 19.975 -22.387 -19.952 1.00 54.24 H new ATOM 0 HG21 ILE A 125 21.645 -21.923 -18.181 1.00 34.12 H new ATOM 0 HG22 ILE A 125 21.728 -20.314 -17.426 1.00 34.12 H new ATOM 0 HG23 ILE A 125 20.373 -21.404 -17.049 1.00 34.12 H new ATOM 0 HD11 ILE A 125 17.697 -22.826 -19.177 1.00 5.21 H new ATOM 0 HD12 ILE A 125 18.779 -22.524 -17.796 1.00 5.21 H new ATOM 0 HD13 ILE A 125 17.662 -21.252 -18.346 1.00 5.21 H new ATOM 241 N CYS A 126 21.191 -17.917 -17.562 1.00 63.54 N ATOM 242 CA CYS A 126 22.085 -16.769 -17.474 1.00 23.31 C ATOM 243 C CYS A 126 23.514 -17.163 -17.839 1.00 12.22 C ATOM 244 O CYS A 126 23.969 -18.258 -17.512 1.00 44.21 O ATOM 245 CB CYS A 126 22.052 -16.178 -16.063 1.00 61.02 C ATOM 246 SG CYS A 126 23.331 -14.918 -15.755 1.00 11.21 S ATOM 0 H CYS A 126 21.313 -18.604 -16.818 1.00 63.54 H new ATOM 0 HA CYS A 126 21.741 -16.017 -18.184 1.00 23.31 H new ATOM 0 HB2 CYS A 126 21.071 -15.735 -15.889 1.00 61.02 H new ATOM 0 HB3 CYS A 126 22.170 -16.985 -15.340 1.00 61.02 H new ATOM 251 N ASN A 127 24.215 -16.261 -18.518 1.00 51.02 N ATOM 252 CA ASN A 127 25.592 -16.514 -18.928 1.00 54.51 C ATOM 253 C ASN A 127 26.575 -15.839 -17.976 1.00 70.32 C ATOM 254 O ASN A 127 26.174 -15.165 -17.028 1.00 34.02 O ATOM 255 CB ASN A 127 25.821 -16.012 -20.355 1.00 71.23 C ATOM 256 CG ASN A 127 24.622 -16.252 -21.252 1.00 73.21 C ATOM 257 OD1 ASN A 127 24.525 -17.285 -21.915 1.00 20.11 O ATOM 258 ND2 ASN A 127 23.701 -15.296 -21.277 1.00 13.25 N ATOM 0 H ASN A 127 23.853 -15.349 -18.796 1.00 51.02 H new ATOM 0 HA ASN A 127 25.763 -17.590 -18.896 1.00 54.51 H new ATOM 0 HB2 ASN A 127 26.045 -14.946 -20.330 1.00 71.23 H new ATOM 0 HB3 ASN A 127 26.693 -16.511 -20.777 1.00 71.23 H new ATOM 0 HD21 ASN A 127 22.872 -15.402 -21.862 1.00 13.25 H new ATOM 0 HD22 ASN A 127 23.822 -14.456 -20.711 1.00 13.25 H new ATOM 265 N SER A 128 27.865 -16.026 -18.237 1.00 31.13 N ATOM 266 CA SER A 128 28.906 -15.439 -17.402 1.00 3.12 C ATOM 267 C SER A 128 28.801 -13.917 -17.393 1.00 4.23 C ATOM 268 O SER A 128 28.081 -13.328 -18.199 1.00 72.40 O ATOM 269 CB SER A 128 30.289 -15.863 -17.900 1.00 70.24 C ATOM 270 OG SER A 128 30.668 -17.113 -17.350 1.00 3.31 O ATOM 0 H SER A 128 28.214 -16.579 -19.020 1.00 31.13 H new ATOM 0 HA SER A 128 28.768 -15.802 -16.383 1.00 3.12 H new ATOM 0 HB2 SER A 128 30.283 -15.928 -18.988 1.00 70.24 H new ATOM 0 HB3 SER A 128 31.024 -15.105 -17.630 1.00 70.24 H new ATOM 0 HG SER A 128 31.555 -17.362 -17.685 1.00 3.31 H new ATOM 276 N ASP A 129 29.525 -13.286 -16.475 1.00 4.11 N ATOM 277 CA ASP A 129 29.516 -11.832 -16.360 1.00 72.20 C ATOM 278 C ASP A 129 29.905 -11.180 -17.683 1.00 53.01 C ATOM 279 O ASP A 129 29.376 -10.130 -18.048 1.00 71.41 O ATOM 280 CB ASP A 129 30.471 -11.380 -15.254 1.00 70.32 C ATOM 281 CG ASP A 129 29.783 -11.260 -13.909 1.00 1.34 C ATOM 282 OD1 ASP A 129 29.159 -12.249 -13.470 1.00 41.11 O ATOM 283 OD2 ASP A 129 29.870 -10.177 -13.294 1.00 14.45 O ATOM 0 H ASP A 129 30.126 -13.759 -15.800 1.00 4.11 H new ATOM 0 HA ASP A 129 28.504 -11.519 -16.105 1.00 72.20 H new ATOM 0 HB2 ASP A 129 31.294 -12.090 -15.176 1.00 70.32 H new ATOM 0 HB3 ASP A 129 30.905 -10.417 -15.524 1.00 70.32 H new ATOM 288 N ALA A 130 30.833 -11.809 -18.397 1.00 2.35 N ATOM 289 CA ALA A 130 31.292 -11.290 -19.679 1.00 62.21 C ATOM 290 C ALA A 130 30.306 -11.627 -20.792 1.00 53.32 C ATOM 291 O ALA A 130 30.499 -11.238 -21.944 1.00 53.22 O ATOM 292 CB ALA A 130 32.671 -11.842 -20.009 1.00 21.44 C ATOM 0 H ALA A 130 31.281 -12.679 -18.109 1.00 2.35 H new ATOM 0 HA ALA A 130 31.356 -10.205 -19.601 1.00 62.21 H new ATOM 0 HB1 ALA A 130 33.001 -11.446 -20.969 1.00 21.44 H new ATOM 0 HB2 ALA A 130 33.377 -11.546 -19.233 1.00 21.44 H new ATOM 0 HB3 ALA A 130 32.624 -12.930 -20.062 1.00 21.44 H new ATOM 298 N ASP A 131 29.250 -12.352 -20.441 1.00 15.22 N ATOM 299 CA ASP A 131 28.232 -12.741 -21.411 1.00 1.54 C ATOM 300 C ASP A 131 26.839 -12.363 -20.917 1.00 52.45 C ATOM 301 O ASP A 131 25.832 -12.764 -21.501 1.00 72.34 O ATOM 302 CB ASP A 131 28.301 -14.245 -21.679 1.00 1.31 C ATOM 303 CG ASP A 131 27.396 -14.672 -22.818 1.00 1.23 C ATOM 304 OD1 ASP A 131 26.962 -13.793 -23.591 1.00 74.11 O ATOM 305 OD2 ASP A 131 27.122 -15.885 -22.935 1.00 54.41 O ATOM 0 H ASP A 131 29.076 -12.683 -19.492 1.00 15.22 H new ATOM 0 HA ASP A 131 28.426 -12.205 -22.340 1.00 1.54 H new ATOM 0 HB2 ASP A 131 29.329 -14.523 -21.912 1.00 1.31 H new ATOM 0 HB3 ASP A 131 28.022 -14.786 -20.775 1.00 1.31 H new ATOM 310 N CYS A 132 26.788 -11.589 -19.838 1.00 43.24 N ATOM 311 CA CYS A 132 25.519 -11.157 -19.265 1.00 24.42 C ATOM 312 C CYS A 132 25.395 -9.637 -19.301 1.00 2.15 C ATOM 313 O CYS A 132 26.282 -8.919 -18.837 1.00 14.34 O ATOM 314 CB CYS A 132 25.391 -11.657 -17.824 1.00 52.14 C ATOM 315 SG CYS A 132 23.672 -11.805 -17.239 1.00 50.34 S ATOM 0 H CYS A 132 27.612 -11.248 -19.343 1.00 43.24 H new ATOM 0 HA CYS A 132 24.714 -11.583 -19.864 1.00 24.42 H new ATOM 0 HB2 CYS A 132 25.876 -12.630 -17.744 1.00 52.14 H new ATOM 0 HB3 CYS A 132 25.931 -10.977 -17.165 1.00 52.14 H new ATOM 320 N THR A 133 24.288 -9.152 -19.855 1.00 3.23 N ATOM 321 CA THR A 133 24.048 -7.718 -19.952 1.00 54.22 C ATOM 322 C THR A 133 22.880 -7.295 -19.068 1.00 51.12 C ATOM 323 O THR A 133 21.927 -8.045 -18.856 1.00 71.13 O ATOM 324 CB THR A 133 23.757 -7.294 -21.404 1.00 70.44 C ATOM 325 OG1 THR A 133 22.683 -8.077 -21.937 1.00 60.44 O ATOM 326 CG2 THR A 133 24.994 -7.462 -22.275 1.00 15.54 C ATOM 0 H THR A 133 23.544 -9.732 -20.243 1.00 3.23 H new ATOM 0 HA THR A 133 24.957 -7.222 -19.611 1.00 54.22 H new ATOM 0 HB THR A 133 23.473 -6.242 -21.402 1.00 70.44 H new ATOM 0 HG1 THR A 133 22.503 -7.800 -22.860 1.00 60.44 H new ATOM 0 HG21 THR A 133 24.764 -7.156 -23.296 1.00 15.54 H new ATOM 0 HG22 THR A 133 25.801 -6.843 -21.884 1.00 15.54 H new ATOM 0 HG23 THR A 133 25.303 -8.507 -22.270 1.00 15.54 H new ATOM 334 N PRO A 134 22.952 -6.064 -18.539 1.00 63.44 N ATOM 335 CA PRO A 134 21.908 -5.514 -17.670 1.00 42.44 C ATOM 336 C PRO A 134 20.619 -5.218 -18.429 1.00 72.00 C ATOM 337 O PRO A 134 20.467 -5.602 -19.588 1.00 43.41 O ATOM 338 CB PRO A 134 22.530 -4.216 -17.147 1.00 60.41 C ATOM 339 CG PRO A 134 23.526 -3.828 -18.185 1.00 31.22 C ATOM 340 CD PRO A 134 24.059 -5.116 -18.750 1.00 11.15 C ATOM 0 HA PRO A 134 21.621 -6.213 -16.884 1.00 42.44 H new ATOM 0 HB2 PRO A 134 21.775 -3.441 -17.013 1.00 60.41 H new ATOM 0 HB3 PRO A 134 23.006 -4.367 -16.178 1.00 60.41 H new ATOM 0 HG2 PRO A 134 23.062 -3.223 -18.964 1.00 31.22 H new ATOM 0 HG3 PRO A 134 24.328 -3.230 -17.752 1.00 31.22 H new ATOM 0 HD2 PRO A 134 24.309 -5.019 -19.806 1.00 11.15 H new ATOM 0 HD3 PRO A 134 24.966 -5.436 -18.236 1.00 11.15 H new ATOM 348 N GLY A 135 19.692 -4.533 -17.767 1.00 15.32 N ATOM 349 CA GLY A 135 18.427 -4.197 -18.395 1.00 62.11 C ATOM 350 C GLY A 135 17.643 -5.425 -18.813 1.00 22.55 C ATOM 351 O GLY A 135 17.160 -6.178 -17.967 1.00 75.43 O ATOM 0 H GLY A 135 19.794 -4.204 -16.807 1.00 15.32 H new ATOM 0 HA2 GLY A 135 17.828 -3.605 -17.703 1.00 62.11 H new ATOM 0 HA3 GLY A 135 18.613 -3.574 -19.270 1.00 62.11 H new ATOM 355 N SER A 136 17.515 -5.628 -20.120 1.00 24.00 N ATOM 356 CA SER A 136 16.780 -6.771 -20.648 1.00 55.22 C ATOM 357 C SER A 136 15.390 -6.857 -20.024 1.00 71.44 C ATOM 358 O SER A 136 15.035 -7.863 -19.409 1.00 15.41 O ATOM 359 CB SER A 136 17.550 -8.066 -20.386 1.00 23.01 C ATOM 360 OG SER A 136 18.798 -8.062 -21.057 1.00 44.41 O ATOM 0 H SER A 136 17.911 -5.016 -20.833 1.00 24.00 H new ATOM 0 HA SER A 136 16.669 -6.635 -21.724 1.00 55.22 H new ATOM 0 HB2 SER A 136 17.710 -8.187 -19.315 1.00 23.01 H new ATOM 0 HB3 SER A 136 16.958 -8.919 -20.718 1.00 23.01 H new ATOM 0 HG SER A 136 19.372 -7.366 -20.675 1.00 44.41 H new ATOM 366 N VAL A 137 14.607 -5.795 -20.188 1.00 63.53 N ATOM 367 CA VAL A 137 13.256 -5.750 -19.643 1.00 71.30 C ATOM 368 C VAL A 137 12.459 -6.985 -20.047 1.00 33.40 C ATOM 369 O VAL A 137 12.180 -7.198 -21.227 1.00 75.20 O ATOM 370 CB VAL A 137 12.503 -4.491 -20.112 1.00 42.00 C ATOM 371 CG1 VAL A 137 12.552 -4.373 -21.628 1.00 31.13 C ATOM 372 CG2 VAL A 137 11.065 -4.515 -19.617 1.00 0.02 C ATOM 0 H VAL A 137 14.886 -4.954 -20.694 1.00 63.53 H new ATOM 0 HA VAL A 137 13.354 -5.723 -18.558 1.00 71.30 H new ATOM 0 HB VAL A 137 12.995 -3.616 -19.687 1.00 42.00 H new ATOM 0 HG11 VAL A 137 12.015 -3.478 -21.941 1.00 31.13 H new ATOM 0 HG12 VAL A 137 13.590 -4.306 -21.954 1.00 31.13 H new ATOM 0 HG13 VAL A 137 12.087 -5.251 -22.076 1.00 31.13 H new ATOM 0 HG21 VAL A 137 10.548 -3.618 -19.958 1.00 0.02 H new ATOM 0 HG22 VAL A 137 10.559 -5.397 -20.011 1.00 0.02 H new ATOM 0 HG23 VAL A 137 11.056 -4.547 -18.528 1.00 0.02 H new ATOM 382 N ASP A 138 12.095 -7.797 -19.060 1.00 14.51 N ATOM 383 CA ASP A 138 11.327 -9.011 -19.312 1.00 4.12 C ATOM 384 C ASP A 138 9.916 -8.889 -18.745 1.00 23.50 C ATOM 385 O ASP A 138 9.703 -8.256 -17.711 1.00 12.13 O ATOM 386 CB ASP A 138 12.034 -10.222 -18.700 1.00 54.12 C ATOM 387 CG ASP A 138 12.765 -11.050 -19.738 1.00 21.52 C ATOM 388 OD1 ASP A 138 12.147 -11.390 -20.768 1.00 62.42 O ATOM 389 OD2 ASP A 138 13.955 -11.360 -19.519 1.00 43.21 O ATOM 0 H ASP A 138 12.319 -7.636 -18.078 1.00 14.51 H new ATOM 0 HA ASP A 138 11.254 -9.149 -20.391 1.00 4.12 H new ATOM 0 HB2 ASP A 138 12.743 -9.882 -17.945 1.00 54.12 H new ATOM 0 HB3 ASP A 138 11.301 -10.848 -18.190 1.00 54.12 H new ATOM 394 N THR A 139 8.954 -9.500 -19.430 1.00 22.11 N ATOM 395 CA THR A 139 7.563 -9.459 -18.997 1.00 3.25 C ATOM 396 C THR A 139 7.336 -10.362 -17.790 1.00 24.12 C ATOM 397 O THR A 139 6.605 -10.007 -16.865 1.00 22.14 O ATOM 398 CB THR A 139 6.609 -9.884 -20.129 1.00 24.34 C ATOM 399 OG1 THR A 139 6.694 -11.299 -20.335 1.00 43.32 O ATOM 400 CG2 THR A 139 6.945 -9.157 -21.422 1.00 5.24 C ATOM 0 H THR A 139 9.113 -10.029 -20.287 1.00 22.11 H new ATOM 0 HA THR A 139 7.349 -8.427 -18.720 1.00 3.25 H new ATOM 0 HB THR A 139 5.593 -9.620 -19.836 1.00 24.34 H new ATOM 0 HG1 THR A 139 6.083 -11.562 -21.055 1.00 43.32 H new ATOM 0 HG21 THR A 139 6.258 -9.474 -22.207 1.00 5.24 H new ATOM 0 HG22 THR A 139 6.851 -8.082 -21.270 1.00 5.24 H new ATOM 0 HG23 THR A 139 7.967 -9.394 -21.718 1.00 5.24 H new ATOM 408 N HIS A 140 7.968 -11.532 -17.805 1.00 10.34 N ATOM 409 CA HIS A 140 7.835 -12.486 -16.709 1.00 45.05 C ATOM 410 C HIS A 140 8.862 -12.204 -15.616 1.00 73.22 C ATOM 411 O HIS A 140 8.971 -12.954 -14.646 1.00 11.31 O ATOM 412 CB HIS A 140 8.004 -13.915 -17.227 1.00 53.20 C ATOM 413 CG HIS A 140 6.773 -14.464 -17.880 1.00 33.33 C ATOM 414 ND1 HIS A 140 5.739 -15.040 -17.172 1.00 12.01 N ATOM 415 CD2 HIS A 140 6.412 -14.522 -19.183 1.00 64.11 C ATOM 416 CE1 HIS A 140 4.797 -15.430 -18.012 1.00 15.32 C ATOM 417 NE2 HIS A 140 5.181 -15.127 -19.239 1.00 14.53 N ATOM 0 H HIS A 140 8.576 -11.842 -18.563 1.00 10.34 H new ATOM 0 HA HIS A 140 6.838 -12.377 -16.283 1.00 45.05 H new ATOM 0 HB2 HIS A 140 8.826 -13.939 -17.942 1.00 53.20 H new ATOM 0 HB3 HIS A 140 8.285 -14.563 -16.397 1.00 53.20 H new ATOM 0 HD2 HIS A 140 6.986 -14.160 -20.023 1.00 64.11 H new ATOM 0 HE1 HIS A 140 3.870 -15.914 -17.741 1.00 15.32 H new ATOM 0 HE2 HIS A 140 4.649 -15.312 -20.090 1.00 14.53 H new ATOM 425 N SER A 141 9.612 -11.119 -15.781 1.00 20.52 N ATOM 426 CA SER A 141 10.633 -10.741 -14.810 1.00 74.43 C ATOM 427 C SER A 141 10.298 -9.400 -14.164 1.00 73.53 C ATOM 428 O SER A 141 10.409 -9.239 -12.949 1.00 63.21 O ATOM 429 CB SER A 141 12.004 -10.668 -15.484 1.00 4.44 C ATOM 430 OG SER A 141 13.044 -10.632 -14.521 1.00 73.40 O ATOM 0 H SER A 141 9.532 -10.486 -16.577 1.00 20.52 H new ATOM 0 HA SER A 141 10.659 -11.503 -14.031 1.00 74.43 H new ATOM 0 HB2 SER A 141 12.138 -11.530 -16.137 1.00 4.44 H new ATOM 0 HB3 SER A 141 12.056 -9.780 -16.114 1.00 4.44 H new ATOM 0 HG SER A 141 13.901 -10.475 -14.970 1.00 73.40 H new ATOM 436 N SER A 142 9.887 -8.441 -14.987 1.00 14.30 N ATOM 437 CA SER A 142 9.539 -7.112 -14.498 1.00 12.22 C ATOM 438 C SER A 142 10.694 -6.504 -13.709 1.00 3.33 C ATOM 439 O SER A 142 10.490 -5.656 -12.841 1.00 50.20 O ATOM 440 CB SER A 142 8.287 -7.180 -13.621 1.00 1.53 C ATOM 441 OG SER A 142 7.665 -5.910 -13.521 1.00 72.31 O ATOM 0 H SER A 142 9.787 -8.559 -15.995 1.00 14.30 H new ATOM 0 HA SER A 142 9.336 -6.476 -15.360 1.00 12.22 H new ATOM 0 HB2 SER A 142 7.584 -7.901 -14.040 1.00 1.53 H new ATOM 0 HB3 SER A 142 8.555 -7.537 -12.626 1.00 1.53 H new ATOM 0 HG SER A 142 8.331 -5.239 -13.261 1.00 72.31 H new ATOM 447 N GLY A 143 11.910 -6.944 -14.017 1.00 63.43 N ATOM 448 CA GLY A 143 13.081 -6.434 -13.329 1.00 2.23 C ATOM 449 C GLY A 143 14.143 -5.929 -14.286 1.00 32.41 C ATOM 450 O GLY A 143 14.029 -6.106 -15.499 1.00 45.50 O ATOM 0 H GLY A 143 12.105 -7.645 -14.732 1.00 63.43 H new ATOM 0 HA2 GLY A 143 12.783 -5.625 -12.662 1.00 2.23 H new ATOM 0 HA3 GLY A 143 13.504 -7.222 -12.705 1.00 2.23 H new ATOM 454 N VAL A 144 15.178 -5.298 -13.740 1.00 74.14 N ATOM 455 CA VAL A 144 16.264 -4.766 -14.554 1.00 52.42 C ATOM 456 C VAL A 144 17.582 -5.460 -14.233 1.00 64.24 C ATOM 457 O VAL A 144 18.147 -5.275 -13.156 1.00 4.40 O ATOM 458 CB VAL A 144 16.431 -3.249 -14.344 1.00 52.24 C ATOM 459 CG1 VAL A 144 17.459 -2.685 -15.314 1.00 35.41 C ATOM 460 CG2 VAL A 144 15.094 -2.540 -14.500 1.00 1.53 C ATOM 0 H VAL A 144 15.287 -5.143 -12.738 1.00 74.14 H new ATOM 0 HA VAL A 144 16.001 -4.955 -15.595 1.00 52.42 H new ATOM 0 HB VAL A 144 16.792 -3.078 -13.330 1.00 52.24 H new ATOM 0 HG11 VAL A 144 17.563 -1.612 -15.151 1.00 35.41 H new ATOM 0 HG12 VAL A 144 18.420 -3.172 -15.150 1.00 35.41 H new ATOM 0 HG13 VAL A 144 17.131 -2.866 -16.338 1.00 35.41 H new ATOM 0 HG21 VAL A 144 15.230 -1.469 -14.348 1.00 1.53 H new ATOM 0 HG22 VAL A 144 14.703 -2.718 -15.502 1.00 1.53 H new ATOM 0 HG23 VAL A 144 14.390 -2.924 -13.762 1.00 1.53 H new ATOM 470 N ALA A 145 18.068 -6.261 -15.176 1.00 51.15 N ATOM 471 CA ALA A 145 19.322 -6.982 -14.995 1.00 52.35 C ATOM 472 C ALA A 145 20.458 -6.027 -14.644 1.00 31.32 C ATOM 473 O ALA A 145 20.545 -4.923 -15.183 1.00 22.34 O ATOM 474 CB ALA A 145 19.663 -7.771 -16.251 1.00 34.33 C ATOM 0 H ALA A 145 17.612 -6.427 -16.073 1.00 51.15 H new ATOM 0 HA ALA A 145 19.197 -7.677 -14.165 1.00 52.35 H new ATOM 0 HB1 ALA A 145 20.602 -8.305 -16.102 1.00 34.33 H new ATOM 0 HB2 ALA A 145 18.868 -8.487 -16.458 1.00 34.33 H new ATOM 0 HB3 ALA A 145 19.764 -7.087 -17.094 1.00 34.33 H new ATOM 480 N THR A 146 21.328 -6.459 -13.736 1.00 14.24 N ATOM 481 CA THR A 146 22.457 -5.642 -13.310 1.00 63.15 C ATOM 482 C THR A 146 23.716 -5.994 -14.095 1.00 40.42 C ATOM 483 O THR A 146 24.538 -5.127 -14.389 1.00 25.12 O ATOM 484 CB THR A 146 22.740 -5.813 -11.806 1.00 35.11 C ATOM 485 OG1 THR A 146 23.821 -4.962 -11.410 1.00 51.24 O ATOM 486 CG2 THR A 146 23.081 -7.259 -11.480 1.00 72.43 C ATOM 0 H THR A 146 21.272 -7.370 -13.282 1.00 14.24 H new ATOM 0 HA THR A 146 22.187 -4.604 -13.505 1.00 63.15 H new ATOM 0 HB THR A 146 21.840 -5.536 -11.257 1.00 35.11 H new ATOM 0 HG1 THR A 146 23.993 -5.076 -10.452 1.00 51.24 H new ATOM 0 HG21 THR A 146 23.277 -7.355 -10.412 1.00 72.43 H new ATOM 0 HG22 THR A 146 22.244 -7.901 -11.754 1.00 72.43 H new ATOM 0 HG23 THR A 146 23.967 -7.559 -12.040 1.00 72.43 H new ATOM 494 N GLY A 147 23.860 -7.272 -14.433 1.00 52.52 N ATOM 495 CA GLY A 147 25.021 -7.715 -15.182 1.00 4.31 C ATOM 496 C GLY A 147 25.703 -8.907 -14.542 1.00 23.44 C ATOM 497 O GLY A 147 26.241 -9.770 -15.236 1.00 71.22 O ATOM 0 H GLY A 147 23.193 -8.008 -14.201 1.00 52.52 H new ATOM 0 HA2 GLY A 147 24.718 -7.975 -16.196 1.00 4.31 H new ATOM 0 HA3 GLY A 147 25.733 -6.893 -15.263 1.00 4.31 H new ATOM 501 N ARG A 148 25.683 -8.956 -13.214 1.00 23.13 N ATOM 502 CA ARG A 148 26.307 -10.050 -12.480 1.00 22.52 C ATOM 503 C ARG A 148 25.460 -11.316 -12.567 1.00 74.40 C ATOM 504 O ARG A 148 24.230 -11.256 -12.541 1.00 30.22 O ATOM 505 CB ARG A 148 26.510 -9.660 -11.015 1.00 4.13 C ATOM 506 CG ARG A 148 27.514 -8.535 -10.818 1.00 35.12 C ATOM 507 CD ARG A 148 27.379 -7.903 -9.441 1.00 73.13 C ATOM 508 NE ARG A 148 28.389 -6.874 -9.210 1.00 21.30 N ATOM 509 CZ ARG A 148 29.647 -7.141 -8.877 1.00 60.41 C ATOM 510 NH1 ARG A 148 30.047 -8.398 -8.738 1.00 11.34 N ATOM 511 NH2 ARG A 148 30.508 -6.150 -8.683 1.00 60.54 N ATOM 0 H ARG A 148 25.241 -8.251 -12.624 1.00 23.13 H new ATOM 0 HA ARG A 148 27.278 -10.251 -12.933 1.00 22.52 H new ATOM 0 HB2 ARG A 148 25.552 -9.359 -10.592 1.00 4.13 H new ATOM 0 HB3 ARG A 148 26.844 -10.535 -10.458 1.00 4.13 H new ATOM 0 HG2 ARG A 148 28.525 -8.922 -10.944 1.00 35.12 H new ATOM 0 HG3 ARG A 148 27.365 -7.775 -11.585 1.00 35.12 H new ATOM 0 HD2 ARG A 148 26.386 -7.466 -9.339 1.00 73.13 H new ATOM 0 HD3 ARG A 148 27.467 -8.676 -8.677 1.00 73.13 H new ATOM 0 HE ARG A 148 28.114 -5.897 -9.310 1.00 21.30 H new ATOM 0 HH11 ARG A 148 29.388 -9.162 -8.887 1.00 11.34 H new ATOM 0 HH12 ARG A 148 31.013 -8.600 -8.482 1.00 11.34 H new ATOM 0 HH21 ARG A 148 30.204 -5.182 -8.790 1.00 60.54 H new ATOM 0 HH22 ARG A 148 31.474 -6.356 -8.427 1.00 60.54 H new ATOM 525 N CYS A 149 26.125 -12.462 -12.671 1.00 42.34 N ATOM 526 CA CYS A 149 25.435 -13.742 -12.764 1.00 34.34 C ATOM 527 C CYS A 149 25.791 -14.639 -11.581 1.00 52.22 C ATOM 528 O CYS A 149 26.922 -14.624 -11.095 1.00 52.22 O ATOM 529 CB CYS A 149 25.791 -14.444 -14.075 1.00 71.35 C ATOM 530 SG CYS A 149 24.725 -15.868 -14.470 1.00 65.30 S ATOM 0 H CYS A 149 27.143 -12.530 -12.693 1.00 42.34 H new ATOM 0 HA CYS A 149 24.362 -13.550 -12.743 1.00 34.34 H new ATOM 0 HB2 CYS A 149 25.731 -13.722 -14.889 1.00 71.35 H new ATOM 0 HB3 CYS A 149 26.826 -14.782 -14.024 1.00 71.35 H new ATOM 535 N VAL A 150 24.817 -15.419 -11.123 1.00 62.51 N ATOM 536 CA VAL A 150 25.027 -16.324 -9.999 1.00 5.20 C ATOM 537 C VAL A 150 24.147 -17.562 -10.118 1.00 34.50 C ATOM 538 O VAL A 150 23.035 -17.516 -10.645 1.00 41.14 O ATOM 539 CB VAL A 150 24.736 -15.627 -8.656 1.00 64.44 C ATOM 540 CG1 VAL A 150 25.571 -14.363 -8.519 1.00 15.04 C ATOM 541 CG2 VAL A 150 23.253 -15.314 -8.530 1.00 2.02 C ATOM 0 H VAL A 150 23.875 -15.442 -11.513 1.00 62.51 H new ATOM 0 HA VAL A 150 26.075 -16.624 -10.025 1.00 5.20 H new ATOM 0 HB VAL A 150 25.011 -16.304 -7.847 1.00 64.44 H new ATOM 0 HG11 VAL A 150 25.352 -13.884 -7.565 1.00 15.04 H new ATOM 0 HG12 VAL A 150 26.629 -14.620 -8.562 1.00 15.04 H new ATOM 0 HG13 VAL A 150 25.330 -13.678 -9.332 1.00 15.04 H new ATOM 0 HG21 VAL A 150 23.065 -14.822 -7.576 1.00 2.02 H new ATOM 0 HG22 VAL A 150 22.950 -14.655 -9.344 1.00 2.02 H new ATOM 0 HG23 VAL A 150 22.680 -16.240 -8.580 1.00 2.02 H new ATOM 551 N PRO A 151 24.653 -18.699 -9.616 1.00 54.30 N ATOM 552 CA PRO A 151 23.928 -19.972 -9.653 1.00 72.31 C ATOM 553 C PRO A 151 22.723 -19.981 -8.719 1.00 12.14 C ATOM 554 O PRO A 151 22.844 -20.303 -7.536 1.00 53.54 O ATOM 555 CB PRO A 151 24.973 -20.989 -9.187 1.00 70.02 C ATOM 556 CG PRO A 151 25.927 -20.199 -8.359 1.00 33.31 C ATOM 557 CD PRO A 151 25.971 -18.828 -8.973 1.00 42.52 C ATOM 0 HA PRO A 151 23.522 -20.180 -10.643 1.00 72.31 H new ATOM 0 HB2 PRO A 151 24.515 -21.790 -8.607 1.00 70.02 H new ATOM 0 HB3 PRO A 151 25.476 -21.456 -10.034 1.00 70.02 H new ATOM 0 HG2 PRO A 151 25.596 -20.151 -7.321 1.00 33.31 H new ATOM 0 HG3 PRO A 151 26.916 -20.658 -8.358 1.00 33.31 H new ATOM 0 HD2 PRO A 151 26.128 -18.056 -8.220 1.00 42.52 H new ATOM 0 HD3 PRO A 151 26.781 -18.738 -9.696 1.00 42.52 H new ATOM 565 N PHE A 152 21.560 -19.626 -9.256 1.00 64.02 N ATOM 566 CA PHE A 152 20.333 -19.592 -8.470 1.00 31.53 C ATOM 567 C PHE A 152 20.120 -20.914 -7.737 1.00 71.14 C ATOM 568 O PHE A 152 19.573 -20.944 -6.636 1.00 22.32 O ATOM 569 CB PHE A 152 19.132 -19.297 -9.371 1.00 45.31 C ATOM 570 CG PHE A 152 17.858 -19.056 -8.613 1.00 5.30 C ATOM 571 CD1 PHE A 152 17.147 -20.115 -8.073 1.00 2.11 C ATOM 572 CD2 PHE A 152 17.372 -17.770 -8.441 1.00 11.31 C ATOM 573 CE1 PHE A 152 15.975 -19.897 -7.374 1.00 54.43 C ATOM 574 CE2 PHE A 152 16.200 -17.545 -7.743 1.00 23.30 C ATOM 575 CZ PHE A 152 15.500 -18.610 -7.210 1.00 62.01 C ATOM 0 H PHE A 152 21.442 -19.358 -10.233 1.00 64.02 H new ATOM 0 HA PHE A 152 20.427 -18.797 -7.730 1.00 31.53 H new ATOM 0 HB2 PHE A 152 19.353 -18.422 -9.982 1.00 45.31 H new ATOM 0 HB3 PHE A 152 18.986 -20.134 -10.054 1.00 45.31 H new ATOM 0 HD1 PHE A 152 17.513 -21.123 -8.200 1.00 2.11 H new ATOM 0 HD2 PHE A 152 17.915 -16.934 -8.857 1.00 11.31 H new ATOM 0 HE1 PHE A 152 15.431 -20.731 -6.957 1.00 54.43 H new ATOM 0 HE2 PHE A 152 15.832 -16.538 -7.615 1.00 23.30 H new ATOM 0 HZ PHE A 152 14.583 -18.437 -6.666 1.00 62.01 H new ATOM 585 N ASN A 153 20.556 -22.005 -8.359 1.00 73.10 N ATOM 586 CA ASN A 153 20.412 -23.331 -7.768 1.00 1.52 C ATOM 587 C ASN A 153 21.625 -24.201 -8.082 1.00 42.22 C ATOM 588 O ASN A 153 22.640 -23.712 -8.578 1.00 13.12 O ATOM 589 CB ASN A 153 19.139 -24.006 -8.282 1.00 10.24 C ATOM 590 CG ASN A 153 18.388 -24.735 -7.184 1.00 62.23 C ATOM 591 OD1 ASN A 153 18.882 -24.874 -6.065 1.00 64.13 O ATOM 592 ND2 ASN A 153 17.187 -25.206 -7.501 1.00 45.41 N ATOM 0 H ASN A 153 21.012 -21.997 -9.272 1.00 73.10 H new ATOM 0 HA ASN A 153 20.341 -23.214 -6.687 1.00 1.52 H new ATOM 0 HB2 ASN A 153 18.487 -23.255 -8.727 1.00 10.24 H new ATOM 0 HB3 ASN A 153 19.398 -24.711 -9.071 1.00 10.24 H new ATOM 0 HD21 ASN A 153 16.635 -25.706 -6.804 1.00 45.41 H new ATOM 0 HD22 ASN A 153 16.817 -25.068 -8.441 1.00 45.41 H new ATOM 599 N GLU A 154 21.511 -25.493 -7.791 1.00 3.22 N ATOM 600 CA GLU A 154 22.599 -26.431 -8.043 1.00 1.34 C ATOM 601 C GLU A 154 22.504 -27.009 -9.452 1.00 11.34 C ATOM 602 O GLU A 154 23.471 -27.563 -9.973 1.00 62.42 O ATOM 603 CB GLU A 154 22.575 -27.562 -7.013 1.00 23.13 C ATOM 604 CG GLU A 154 23.324 -27.235 -5.732 1.00 24.12 C ATOM 605 CD GLU A 154 24.827 -27.370 -5.884 1.00 41.22 C ATOM 606 OE1 GLU A 154 25.280 -27.747 -6.986 1.00 14.54 O ATOM 607 OE2 GLU A 154 25.550 -27.099 -4.903 1.00 21.22 O ATOM 0 H GLU A 154 20.677 -25.914 -7.381 1.00 3.22 H new ATOM 0 HA GLU A 154 23.540 -25.888 -7.955 1.00 1.34 H new ATOM 0 HB2 GLU A 154 21.539 -27.797 -6.768 1.00 23.13 H new ATOM 0 HB3 GLU A 154 23.008 -28.457 -7.459 1.00 23.13 H new ATOM 0 HG2 GLU A 154 23.084 -26.217 -5.425 1.00 24.12 H new ATOM 0 HG3 GLU A 154 22.982 -27.897 -4.937 1.00 24.12 H new ATOM 614 N SER A 155 21.331 -26.875 -10.062 1.00 14.02 N ATOM 615 CA SER A 155 21.107 -27.387 -11.408 1.00 74.45 C ATOM 616 C SER A 155 20.597 -26.285 -12.331 1.00 54.34 C ATOM 617 O SER A 155 19.873 -26.548 -13.292 1.00 32.23 O ATOM 618 CB SER A 155 20.106 -28.545 -11.377 1.00 4.33 C ATOM 619 OG SER A 155 18.901 -28.160 -10.738 1.00 4.02 O ATOM 0 H SER A 155 20.521 -26.416 -9.645 1.00 14.02 H new ATOM 0 HA SER A 155 22.060 -27.749 -11.795 1.00 74.45 H new ATOM 0 HB2 SER A 155 19.893 -28.873 -12.394 1.00 4.33 H new ATOM 0 HB3 SER A 155 20.544 -29.395 -10.853 1.00 4.33 H new ATOM 0 HG SER A 155 18.278 -28.916 -10.733 1.00 4.02 H new ATOM 625 N VAL A 156 20.980 -25.047 -12.033 1.00 30.42 N ATOM 626 CA VAL A 156 20.563 -23.903 -12.835 1.00 64.51 C ATOM 627 C VAL A 156 21.237 -22.622 -12.356 1.00 72.25 C ATOM 628 O VAL A 156 21.615 -22.504 -11.191 1.00 32.13 O ATOM 629 CB VAL A 156 19.035 -23.714 -12.792 1.00 65.31 C ATOM 630 CG1 VAL A 156 18.591 -23.272 -11.406 1.00 72.33 C ATOM 631 CG2 VAL A 156 18.593 -22.712 -13.848 1.00 22.32 C ATOM 0 H VAL A 156 21.579 -24.811 -11.242 1.00 30.42 H new ATOM 0 HA VAL A 156 20.867 -24.108 -13.862 1.00 64.51 H new ATOM 0 HB VAL A 156 18.561 -24.671 -13.011 1.00 65.31 H new ATOM 0 HG11 VAL A 156 17.509 -23.143 -11.394 1.00 72.33 H new ATOM 0 HG12 VAL A 156 18.874 -24.029 -10.675 1.00 72.33 H new ATOM 0 HG13 VAL A 156 19.071 -22.326 -11.154 1.00 72.33 H new ATOM 0 HG21 VAL A 156 17.511 -22.590 -13.804 1.00 22.32 H new ATOM 0 HG22 VAL A 156 19.074 -21.752 -13.662 1.00 22.32 H new ATOM 0 HG23 VAL A 156 18.877 -23.075 -14.836 1.00 22.32 H new ATOM 641 N LYS A 157 21.384 -21.663 -13.264 1.00 71.01 N ATOM 642 CA LYS A 157 22.010 -20.388 -12.936 1.00 2.11 C ATOM 643 C LYS A 157 21.254 -19.229 -13.578 1.00 33.15 C ATOM 644 O LYS A 157 20.777 -19.335 -14.708 1.00 50.21 O ATOM 645 CB LYS A 157 23.468 -20.378 -13.400 1.00 25.11 C ATOM 646 CG LYS A 157 23.658 -20.876 -14.822 1.00 74.42 C ATOM 647 CD LYS A 157 25.010 -20.467 -15.381 1.00 70.32 C ATOM 648 CE LYS A 157 26.102 -21.441 -14.966 1.00 4.44 C ATOM 649 NZ LYS A 157 26.724 -21.056 -13.669 1.00 4.55 N ATOM 0 H LYS A 157 21.078 -21.745 -14.233 1.00 71.01 H new ATOM 0 HA LYS A 157 21.978 -20.264 -11.853 1.00 2.11 H new ATOM 0 HB2 LYS A 157 23.857 -19.363 -13.325 1.00 25.11 H new ATOM 0 HB3 LYS A 157 24.059 -20.997 -12.725 1.00 25.11 H new ATOM 0 HG2 LYS A 157 23.568 -21.962 -14.843 1.00 74.42 H new ATOM 0 HG3 LYS A 157 22.866 -20.478 -15.456 1.00 74.42 H new ATOM 0 HD2 LYS A 157 24.956 -20.421 -16.469 1.00 70.32 H new ATOM 0 HD3 LYS A 157 25.262 -19.466 -15.031 1.00 70.32 H new ATOM 0 HE2 LYS A 157 25.683 -22.444 -14.884 1.00 4.44 H new ATOM 0 HE3 LYS A 157 26.869 -21.478 -15.740 1.00 4.44 H new ATOM 0 HZ1 LYS A 157 27.760 -21.069 -13.763 1.00 4.55 H new ATOM 0 HZ2 LYS A 157 26.412 -20.100 -13.405 1.00 4.55 H new ATOM 0 HZ3 LYS A 157 26.435 -21.730 -12.932 1.00 4.55 H new ATOM 663 N THR A 158 21.148 -18.122 -12.849 1.00 41.34 N ATOM 664 CA THR A 158 20.450 -16.943 -13.348 1.00 23.24 C ATOM 665 C THR A 158 21.280 -15.682 -13.136 1.00 65.31 C ATOM 666 O THR A 158 22.362 -15.730 -12.550 1.00 45.03 O ATOM 667 CB THR A 158 19.084 -16.766 -12.658 1.00 61.15 C ATOM 668 OG1 THR A 158 19.270 -16.484 -11.267 1.00 21.41 O ATOM 669 CG2 THR A 158 18.231 -18.016 -12.819 1.00 3.35 C ATOM 0 H THR A 158 21.536 -18.017 -11.912 1.00 41.34 H new ATOM 0 HA THR A 158 20.293 -17.096 -14.416 1.00 23.24 H new ATOM 0 HB THR A 158 18.568 -15.930 -13.131 1.00 61.15 H new ATOM 0 HG1 THR A 158 18.418 -16.201 -10.874 1.00 21.41 H new ATOM 0 HG21 THR A 158 17.271 -17.868 -12.324 1.00 3.35 H new ATOM 0 HG22 THR A 158 18.066 -18.210 -13.879 1.00 3.35 H new ATOM 0 HG23 THR A 158 18.744 -18.867 -12.370 1.00 3.35 H new ATOM 677 N CYS A 159 20.767 -14.554 -13.616 1.00 24.30 N ATOM 678 CA CYS A 159 21.461 -13.279 -13.480 1.00 21.45 C ATOM 679 C CYS A 159 20.728 -12.363 -12.504 1.00 21.11 C ATOM 680 O CYS A 159 19.506 -12.425 -12.379 1.00 14.21 O ATOM 681 CB CYS A 159 21.587 -12.595 -14.842 1.00 62.22 C ATOM 682 SG CYS A 159 23.300 -12.445 -15.443 1.00 63.22 S ATOM 0 H CYS A 159 19.873 -14.497 -14.103 1.00 24.30 H new ATOM 0 HA CYS A 159 22.458 -13.476 -13.087 1.00 21.45 H new ATOM 0 HB2 CYS A 159 21.004 -13.155 -15.573 1.00 62.22 H new ATOM 0 HB3 CYS A 159 21.147 -11.600 -14.779 1.00 62.22 H new ATOM 687 N GLU A 160 21.485 -11.514 -11.816 1.00 30.14 N ATOM 688 CA GLU A 160 20.907 -10.586 -10.851 1.00 40.30 C ATOM 689 C GLU A 160 20.151 -9.465 -11.560 1.00 24.23 C ATOM 690 O GLU A 160 20.621 -8.920 -12.559 1.00 12.24 O ATOM 691 CB GLU A 160 22.001 -9.994 -9.960 1.00 44.14 C ATOM 692 CG GLU A 160 22.344 -10.860 -8.760 1.00 12.01 C ATOM 693 CD GLU A 160 23.634 -10.438 -8.085 1.00 45.21 C ATOM 694 OE1 GLU A 160 23.897 -9.219 -8.018 1.00 51.41 O ATOM 695 OE2 GLU A 160 24.382 -11.326 -7.625 1.00 12.25 O ATOM 0 H GLU A 160 22.499 -11.450 -11.909 1.00 30.14 H new ATOM 0 HA GLU A 160 20.203 -11.140 -10.230 1.00 40.30 H new ATOM 0 HB2 GLU A 160 22.901 -9.842 -10.556 1.00 44.14 H new ATOM 0 HB3 GLU A 160 21.681 -9.013 -9.610 1.00 44.14 H new ATOM 0 HG2 GLU A 160 21.529 -10.813 -8.038 1.00 12.01 H new ATOM 0 HG3 GLU A 160 22.428 -11.899 -9.079 1.00 12.01 H new ATOM 702 N VAL A 161 18.977 -9.127 -11.036 1.00 25.34 N ATOM 703 CA VAL A 161 18.156 -8.072 -11.617 1.00 21.14 C ATOM 704 C VAL A 161 17.557 -7.182 -10.533 1.00 65.21 C ATOM 705 O VAL A 161 17.742 -7.428 -9.342 1.00 32.35 O ATOM 706 CB VAL A 161 17.017 -8.655 -12.474 1.00 22.10 C ATOM 707 CG1 VAL A 161 17.573 -9.597 -13.531 1.00 32.52 C ATOM 708 CG2 VAL A 161 16.000 -9.367 -11.595 1.00 10.11 C ATOM 0 H VAL A 161 18.573 -9.569 -10.210 1.00 25.34 H new ATOM 0 HA VAL A 161 18.810 -7.476 -12.253 1.00 21.14 H new ATOM 0 HB VAL A 161 16.511 -7.834 -12.983 1.00 22.10 H new ATOM 0 HG11 VAL A 161 16.754 -9.999 -14.127 1.00 32.52 H new ATOM 0 HG12 VAL A 161 18.260 -9.052 -14.179 1.00 32.52 H new ATOM 0 HG13 VAL A 161 18.105 -10.415 -13.046 1.00 32.52 H new ATOM 0 HG21 VAL A 161 15.202 -9.773 -12.217 1.00 10.11 H new ATOM 0 HG22 VAL A 161 16.489 -10.179 -11.057 1.00 10.11 H new ATOM 0 HG23 VAL A 161 15.579 -8.660 -10.880 1.00 10.11 H new ATOM 718 N ALA A 162 16.839 -6.147 -10.955 1.00 42.14 N ATOM 719 CA ALA A 162 16.211 -5.221 -10.021 1.00 73.22 C ATOM 720 C ALA A 162 14.694 -5.226 -10.180 1.00 42.12 C ATOM 721 O ALA A 162 14.158 -4.649 -11.126 1.00 21.20 O ATOM 722 CB ALA A 162 16.760 -3.816 -10.220 1.00 71.33 C ATOM 0 H ALA A 162 16.678 -5.928 -11.938 1.00 42.14 H new ATOM 0 HA ALA A 162 16.445 -5.550 -9.009 1.00 73.22 H new ATOM 0 HB1 ALA A 162 16.282 -3.135 -9.516 1.00 71.33 H new ATOM 0 HB2 ALA A 162 17.836 -3.818 -10.049 1.00 71.33 H new ATOM 0 HB3 ALA A 162 16.556 -3.486 -11.239 1.00 71.33 H new ATOM 728 N ALA A 163 14.008 -5.881 -9.249 1.00 42.22 N ATOM 729 CA ALA A 163 12.553 -5.959 -9.286 1.00 22.21 C ATOM 730 C ALA A 163 11.977 -6.120 -7.883 1.00 55.14 C ATOM 731 O ALA A 163 12.707 -6.079 -6.894 1.00 22.55 O ATOM 732 CB ALA A 163 12.109 -7.110 -10.176 1.00 71.14 C ATOM 0 H ALA A 163 14.437 -6.365 -8.460 1.00 42.22 H new ATOM 0 HA ALA A 163 12.174 -5.026 -9.702 1.00 22.21 H new ATOM 0 HB1 ALA A 163 11.020 -7.157 -10.194 1.00 71.14 H new ATOM 0 HB2 ALA A 163 12.483 -6.953 -11.188 1.00 71.14 H new ATOM 0 HB3 ALA A 163 12.506 -8.047 -9.784 1.00 71.14 H new ATOM 738 N TRP A 164 10.663 -6.301 -7.806 1.00 62.33 N ATOM 739 CA TRP A 164 9.989 -6.467 -6.524 1.00 32.23 C ATOM 740 C TRP A 164 10.014 -7.926 -6.080 1.00 50.22 C ATOM 741 O TRP A 164 9.278 -8.759 -6.610 1.00 11.13 O ATOM 742 CB TRP A 164 8.544 -5.974 -6.617 1.00 32.45 C ATOM 743 CG TRP A 164 7.819 -6.009 -5.305 1.00 71.42 C ATOM 744 CD1 TRP A 164 6.648 -6.658 -5.033 1.00 41.30 C ATOM 745 CD2 TRP A 164 8.216 -5.367 -4.089 1.00 24.32 C ATOM 746 NE1 TRP A 164 6.294 -6.457 -3.721 1.00 32.24 N ATOM 747 CE2 TRP A 164 7.240 -5.670 -3.120 1.00 11.23 C ATOM 748 CE3 TRP A 164 9.303 -4.568 -3.723 1.00 70.24 C ATOM 749 CZ2 TRP A 164 7.319 -5.199 -1.812 1.00 21.44 C ATOM 750 CZ3 TRP A 164 9.380 -4.102 -2.425 1.00 11.12 C ATOM 751 CH2 TRP A 164 8.394 -4.419 -1.481 1.00 74.04 C ATOM 0 H TRP A 164 10.044 -6.336 -8.616 1.00 62.33 H new ATOM 0 HA TRP A 164 10.522 -5.872 -5.782 1.00 32.23 H new ATOM 0 HB2 TRP A 164 8.540 -4.953 -6.999 1.00 32.45 H new ATOM 0 HB3 TRP A 164 8.004 -6.587 -7.339 1.00 32.45 H new ATOM 0 HD1 TRP A 164 6.084 -7.243 -5.744 1.00 41.30 H new ATOM 0 HE1 TRP A 164 5.461 -6.833 -3.268 1.00 32.24 H new ATOM 0 HE3 TRP A 164 10.069 -4.319 -4.442 1.00 70.24 H new ATOM 0 HZ2 TRP A 164 6.559 -5.441 -1.084 1.00 21.44 H new ATOM 0 HZ3 TRP A 164 10.215 -3.482 -2.132 1.00 11.12 H new ATOM 0 HH2 TRP A 164 8.484 -4.041 -0.473 1.00 74.04 H new ATOM 762 N CYS A 165 10.865 -8.229 -5.106 1.00 11.24 N ATOM 763 CA CYS A 165 10.986 -9.587 -4.591 1.00 22.24 C ATOM 764 C CYS A 165 10.229 -9.740 -3.275 1.00 12.24 C ATOM 765 O CYS A 165 9.918 -8.764 -2.591 1.00 44.35 O ATOM 766 CB CYS A 165 12.459 -9.949 -4.389 1.00 1.11 C ATOM 767 SG CYS A 165 13.217 -10.800 -5.810 1.00 60.00 S ATOM 0 H CYS A 165 11.482 -7.552 -4.657 1.00 11.24 H new ATOM 0 HA CYS A 165 10.548 -10.266 -5.323 1.00 22.24 H new ATOM 0 HB2 CYS A 165 13.021 -9.038 -4.183 1.00 1.11 H new ATOM 0 HB3 CYS A 165 12.548 -10.585 -3.508 1.00 1.11 H new ATOM 772 N PRO A 166 9.924 -10.994 -2.909 1.00 50.14 N ATOM 773 CA PRO A 166 9.200 -11.305 -1.673 1.00 43.41 C ATOM 774 C PRO A 166 10.040 -11.042 -0.428 1.00 5.10 C ATOM 775 O PRO A 166 11.249 -11.275 -0.422 1.00 4.30 O ATOM 776 CB PRO A 166 8.895 -12.799 -1.807 1.00 10.43 C ATOM 777 CG PRO A 166 9.952 -13.321 -2.717 1.00 23.44 C ATOM 778 CD PRO A 166 10.263 -12.205 -3.675 1.00 72.22 C ATOM 0 HA PRO A 166 8.312 -10.684 -1.553 1.00 43.41 H new ATOM 0 HB2 PRO A 166 8.925 -13.298 -0.838 1.00 10.43 H new ATOM 0 HB3 PRO A 166 7.900 -12.964 -2.220 1.00 10.43 H new ATOM 0 HG2 PRO A 166 10.840 -13.613 -2.156 1.00 23.44 H new ATOM 0 HG3 PRO A 166 9.606 -14.207 -3.249 1.00 23.44 H new ATOM 0 HD2 PRO A 166 11.311 -12.212 -3.973 1.00 72.22 H new ATOM 0 HD3 PRO A 166 9.672 -12.282 -4.587 1.00 72.22 H new ATOM 786 N VAL A 167 9.392 -10.556 0.626 1.00 24.01 N ATOM 787 CA VAL A 167 10.080 -10.263 1.878 1.00 70.20 C ATOM 788 C VAL A 167 10.644 -11.533 2.505 1.00 30.03 C ATOM 789 O VAL A 167 11.054 -11.535 3.666 1.00 71.21 O ATOM 790 CB VAL A 167 9.140 -9.579 2.888 1.00 52.31 C ATOM 791 CG1 VAL A 167 8.608 -8.271 2.321 1.00 32.21 C ATOM 792 CG2 VAL A 167 7.997 -10.509 3.267 1.00 45.01 C ATOM 0 H VAL A 167 8.392 -10.357 0.638 1.00 24.01 H new ATOM 0 HA VAL A 167 10.899 -9.585 1.638 1.00 70.20 H new ATOM 0 HB VAL A 167 9.708 -9.352 3.790 1.00 52.31 H new ATOM 0 HG11 VAL A 167 7.946 -7.802 3.048 1.00 32.21 H new ATOM 0 HG12 VAL A 167 9.441 -7.602 2.105 1.00 32.21 H new ATOM 0 HG13 VAL A 167 8.055 -8.470 1.403 1.00 32.21 H new ATOM 0 HG21 VAL A 167 7.343 -10.009 3.981 1.00 45.01 H new ATOM 0 HG22 VAL A 167 7.428 -10.769 2.374 1.00 45.01 H new ATOM 0 HG23 VAL A 167 8.400 -11.416 3.717 1.00 45.01 H new TER 802 VAL A 167