USER MOD reduce.3.24.130724 H: found=0, std=0, add=435, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 433 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 1 VAL N :NH3+ 169:sc= -0.22 (180deg=-0.491) USER MOD Single : A 5 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 7 SER OG : rot 32:sc= 0.0242 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 11 SER OG : rot 180:sc= -0.0155 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 CYS SG : rot 180:sc= 0 USER MOD Single : A 17 GLN : amide:sc= -0.402 K(o=-0.4,f=-2.5!) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0.0484 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 26 CYS SG : rot 180:sc= -1.69 USER MOD Single : A 33 CYS SG : rot 150:sc= -0.0765 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 37 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 38 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 39 HIS : no HD1:sc= -0.327 X(o=-0.33,f=-0.25) USER MOD Single : A 40 CYS SG : rot 180:sc= 0 USER MOD Single : A 43 GLN : amide:sc= -0.0942 X(o=-0.094,f=-0.47) USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 THR OG1 : rot 180:sc= -0.0132 USER MOD Single : A 52 GLN : amide:sc= 0 K(o=0,f=-0.7) USER MOD Single : A 54 GLN : amide:sc= 0 X(o=0,f=-0.1) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 HIS : no HD1:sc= 0 X(o=0,f=-0.039) USER MOD Single : A 63 HIS : no HD1:sc= 0 X(o=0,f=-0.0088) USER MOD Single : A 64 HIS : no HD1:sc= -0.206 X(o=-0.21,f=-0.46) USER MOD Single : A 65 HIS : no HD1:sc= -0.058 X(o=-0.058,f=0) USER MOD Single : A 66 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 67 HIS : no HD1:sc= -0.0469 X(o=-0.047,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 20.067 -7.306 -2.514 1.00 0.00 N ATOM 2 CA VAL A 1 20.008 -5.880 -2.931 1.00 0.00 C ATOM 3 C VAL A 1 19.724 -4.969 -1.738 1.00 0.00 C ATOM 4 O VAL A 1 18.569 -4.757 -1.372 1.00 0.00 O ATOM 5 CB VAL A 1 18.923 -5.654 -4.003 1.00 0.00 C ATOM 6 CG1 VAL A 1 19.485 -5.913 -5.391 1.00 0.00 C ATOM 7 CG2 VAL A 1 17.711 -6.535 -3.738 1.00 0.00 C ATOM 0 H1 VAL A 1 20.074 -7.914 -3.357 1.00 0.00 H new ATOM 0 H2 VAL A 1 20.932 -7.471 -1.961 1.00 0.00 H new ATOM 0 H3 VAL A 1 19.236 -7.532 -1.931 1.00 0.00 H new ATOM 0 HA VAL A 1 20.983 -5.632 -3.351 1.00 0.00 H new ATOM 0 HB VAL A 1 18.601 -4.614 -3.952 1.00 0.00 H new ATOM 0 HG11 VAL A 1 18.706 -5.749 -6.135 1.00 0.00 H new ATOM 0 HG12 VAL A 1 20.316 -5.233 -5.580 1.00 0.00 H new ATOM 0 HG13 VAL A 1 19.837 -6.943 -5.455 1.00 0.00 H new ATOM 0 HG21 VAL A 1 16.958 -6.359 -4.506 1.00 0.00 H new ATOM 0 HG22 VAL A 1 18.011 -7.583 -3.757 1.00 0.00 H new ATOM 0 HG23 VAL A 1 17.294 -6.295 -2.760 1.00 0.00 H new ATOM 17 N PRO A 2 20.781 -4.416 -1.111 1.00 0.00 N ATOM 18 CA PRO A 2 20.645 -3.528 0.046 1.00 0.00 C ATOM 19 C PRO A 2 20.190 -2.124 -0.350 1.00 0.00 C ATOM 20 O PRO A 2 20.376 -1.168 0.404 1.00 0.00 O ATOM 21 CB PRO A 2 22.063 -3.477 0.643 1.00 0.00 C ATOM 22 CG PRO A 2 22.874 -4.464 -0.138 1.00 0.00 C ATOM 23 CD PRO A 2 22.190 -4.613 -1.465 1.00 0.00 C ATOM 0 HA PRO A 2 19.890 -3.892 0.743 1.00 0.00 H new ATOM 0 HB2 PRO A 2 22.485 -2.475 0.563 1.00 0.00 H new ATOM 0 HB3 PRO A 2 22.050 -3.734 1.702 1.00 0.00 H new ATOM 0 HG2 PRO A 2 23.898 -4.112 -0.265 1.00 0.00 H new ATOM 0 HG3 PRO A 2 22.928 -5.421 0.381 1.00 0.00 H new ATOM 0 HD2 PRO A 2 22.536 -3.873 -2.187 1.00 0.00 H new ATOM 0 HD3 PRO A 2 22.366 -5.594 -1.906 1.00 0.00 H new ATOM 31 N CYS A 3 19.599 -2.010 -1.538 1.00 0.00 N ATOM 32 CA CYS A 3 19.119 -0.725 -2.042 1.00 0.00 C ATOM 33 C CYS A 3 20.268 0.268 -2.183 1.00 0.00 C ATOM 34 O CYS A 3 20.049 1.470 -2.343 1.00 0.00 O ATOM 35 CB CYS A 3 18.041 -0.155 -1.117 1.00 0.00 C ATOM 36 SG CYS A 3 16.797 0.867 -1.968 1.00 0.00 S ATOM 0 H CYS A 3 19.441 -2.794 -2.171 1.00 0.00 H new ATOM 0 HA CYS A 3 18.685 -0.891 -3.028 1.00 0.00 H new ATOM 0 HB2 CYS A 3 17.536 -0.979 -0.614 1.00 0.00 H new ATOM 0 HB3 CYS A 3 18.521 0.445 -0.343 1.00 0.00 H new ATOM 41 N ASP A 4 21.491 -0.246 -2.126 1.00 0.00 N ATOM 42 CA ASP A 4 22.683 0.584 -2.250 1.00 0.00 C ATOM 43 C ASP A 4 23.854 -0.242 -2.771 1.00 0.00 C ATOM 44 O ASP A 4 23.668 -1.366 -3.236 1.00 0.00 O ATOM 45 CB ASP A 4 23.040 1.211 -0.901 1.00 0.00 C ATOM 46 CG ASP A 4 23.687 2.573 -1.050 1.00 0.00 C ATOM 47 OD1 ASP A 4 23.076 3.453 -1.694 1.00 0.00 O ATOM 48 OD2 ASP A 4 24.804 2.761 -0.523 1.00 0.00 O ATOM 0 H ASP A 4 21.683 -1.239 -1.994 1.00 0.00 H new ATOM 0 HA ASP A 4 22.474 1.382 -2.962 1.00 0.00 H new ATOM 0 HB2 ASP A 4 22.138 1.305 -0.297 1.00 0.00 H new ATOM 0 HB3 ASP A 4 23.717 0.547 -0.363 1.00 0.00 H new ATOM 53 N ASN A 5 25.058 0.320 -2.692 1.00 0.00 N ATOM 54 CA ASN A 5 26.253 -0.371 -3.161 1.00 0.00 C ATOM 55 C ASN A 5 26.070 -0.841 -4.601 1.00 0.00 C ATOM 56 O ASN A 5 26.197 -2.030 -4.899 1.00 0.00 O ATOM 57 CB ASN A 5 26.570 -1.561 -2.252 1.00 0.00 C ATOM 58 CG ASN A 5 28.038 -1.631 -1.881 1.00 0.00 C ATOM 59 OD1 ASN A 5 28.489 -0.956 -0.956 1.00 0.00 O ATOM 60 ND2 ASN A 5 28.791 -2.452 -2.602 1.00 0.00 N ATOM 0 H ASN A 5 25.230 1.249 -2.309 1.00 0.00 H new ATOM 0 HA ASN A 5 27.089 0.327 -3.129 1.00 0.00 H new ATOM 0 HB2 ASN A 5 25.972 -1.490 -1.344 1.00 0.00 H new ATOM 0 HB3 ASN A 5 26.280 -2.485 -2.753 1.00 0.00 H new ATOM 0 HD21 ASN A 5 29.786 -2.542 -2.398 1.00 0.00 H new ATOM 0 HD22 ASN A 5 28.374 -2.993 -3.360 1.00 0.00 H new ATOM 67 N VAL A 6 25.762 0.103 -5.486 1.00 0.00 N ATOM 68 CA VAL A 6 25.549 -0.199 -6.900 1.00 0.00 C ATOM 69 C VAL A 6 24.406 -1.196 -7.076 1.00 0.00 C ATOM 70 O VAL A 6 24.433 -2.043 -7.970 1.00 0.00 O ATOM 71 CB VAL A 6 26.825 -0.760 -7.567 1.00 0.00 C ATOM 72 CG1 VAL A 6 26.776 -0.551 -9.073 1.00 0.00 C ATOM 73 CG2 VAL A 6 28.070 -0.112 -6.979 1.00 0.00 C ATOM 0 H VAL A 6 25.654 1.089 -5.248 1.00 0.00 H new ATOM 0 HA VAL A 6 25.290 0.741 -7.388 1.00 0.00 H new ATOM 0 HB VAL A 6 26.871 -1.831 -7.368 1.00 0.00 H new ATOM 0 HG11 VAL A 6 27.683 -0.952 -9.526 1.00 0.00 H new ATOM 0 HG12 VAL A 6 25.907 -1.065 -9.484 1.00 0.00 H new ATOM 0 HG13 VAL A 6 26.703 0.515 -9.290 1.00 0.00 H new ATOM 0 HG21 VAL A 6 28.957 -0.522 -7.463 1.00 0.00 H new ATOM 0 HG22 VAL A 6 28.032 0.965 -7.143 1.00 0.00 H new ATOM 0 HG23 VAL A 6 28.115 -0.314 -5.909 1.00 0.00 H new ATOM 83 N SER A 7 23.399 -1.083 -6.215 1.00 0.00 N ATOM 84 CA SER A 7 22.238 -1.966 -6.269 1.00 0.00 C ATOM 85 C SER A 7 20.988 -1.243 -5.778 1.00 0.00 C ATOM 86 O SER A 7 21.079 -0.217 -5.102 1.00 0.00 O ATOM 87 CB SER A 7 22.480 -3.218 -5.424 1.00 0.00 C ATOM 88 OG SER A 7 22.985 -4.278 -6.217 1.00 0.00 O ATOM 0 H SER A 7 23.364 -0.387 -5.470 1.00 0.00 H new ATOM 0 HA SER A 7 22.085 -2.263 -7.307 1.00 0.00 H new ATOM 0 HB2 SER A 7 23.185 -2.990 -4.624 1.00 0.00 H new ATOM 0 HB3 SER A 7 21.548 -3.526 -4.950 1.00 0.00 H new ATOM 0 HG SER A 7 23.538 -3.912 -6.938 1.00 0.00 H new ATOM 94 N SER A 8 19.821 -1.781 -6.124 1.00 0.00 N ATOM 95 CA SER A 8 18.555 -1.183 -5.718 1.00 0.00 C ATOM 96 C SER A 8 17.445 -2.228 -5.670 1.00 0.00 C ATOM 97 O SER A 8 17.625 -3.361 -6.118 1.00 0.00 O ATOM 98 CB SER A 8 18.167 -0.057 -6.678 1.00 0.00 C ATOM 99 OG SER A 8 18.622 -0.329 -7.992 1.00 0.00 O ATOM 0 H SER A 8 19.727 -2.629 -6.684 1.00 0.00 H new ATOM 0 HA SER A 8 18.684 -0.772 -4.717 1.00 0.00 H new ATOM 0 HB2 SER A 8 17.084 0.064 -6.683 1.00 0.00 H new ATOM 0 HB3 SER A 8 18.592 0.885 -6.330 1.00 0.00 H new ATOM 0 HG SER A 8 18.360 0.404 -8.587 1.00 0.00 H new ATOM 105 N CYS A 9 16.297 -1.836 -5.127 1.00 0.00 N ATOM 106 CA CYS A 9 15.151 -2.732 -5.021 1.00 0.00 C ATOM 107 C CYS A 9 14.321 -2.702 -6.303 1.00 0.00 C ATOM 108 O CYS A 9 14.321 -1.705 -7.024 1.00 0.00 O ATOM 109 CB CYS A 9 14.282 -2.333 -3.826 1.00 0.00 C ATOM 110 SG CYS A 9 13.845 -3.717 -2.723 1.00 0.00 S ATOM 0 H CYS A 9 16.135 -0.901 -4.753 1.00 0.00 H new ATOM 0 HA CYS A 9 15.520 -3.747 -4.872 1.00 0.00 H new ATOM 0 HB2 CYS A 9 14.807 -1.574 -3.247 1.00 0.00 H new ATOM 0 HB3 CYS A 9 13.365 -1.874 -4.195 1.00 0.00 H new ATOM 115 N PRO A 10 13.602 -3.798 -6.610 1.00 0.00 N ATOM 116 CA PRO A 10 12.774 -3.885 -7.812 1.00 0.00 C ATOM 117 C PRO A 10 11.396 -3.261 -7.611 1.00 0.00 C ATOM 118 O PRO A 10 11.065 -2.805 -6.516 1.00 0.00 O ATOM 119 CB PRO A 10 12.652 -5.391 -8.022 1.00 0.00 C ATOM 120 CG PRO A 10 12.680 -5.962 -6.645 1.00 0.00 C ATOM 121 CD PRO A 10 13.546 -5.044 -5.816 1.00 0.00 C ATOM 0 HA PRO A 10 13.205 -3.348 -8.657 1.00 0.00 H new ATOM 0 HB2 PRO A 10 11.727 -5.646 -8.539 1.00 0.00 H new ATOM 0 HB3 PRO A 10 13.472 -5.775 -8.628 1.00 0.00 H new ATOM 0 HG2 PRO A 10 11.674 -6.024 -6.231 1.00 0.00 H new ATOM 0 HG3 PRO A 10 13.085 -6.974 -6.653 1.00 0.00 H new ATOM 0 HD2 PRO A 10 13.115 -4.871 -4.830 1.00 0.00 H new ATOM 0 HD3 PRO A 10 14.540 -5.464 -5.661 1.00 0.00 H new ATOM 129 N SER A 11 10.599 -3.243 -8.674 1.00 0.00 N ATOM 130 CA SER A 11 9.259 -2.670 -8.615 1.00 0.00 C ATOM 131 C SER A 11 8.349 -3.498 -7.711 1.00 0.00 C ATOM 132 O SER A 11 8.742 -4.557 -7.221 1.00 0.00 O ATOM 133 CB SER A 11 8.657 -2.580 -10.019 1.00 0.00 C ATOM 134 OG SER A 11 7.536 -1.714 -10.038 1.00 0.00 O ATOM 0 H SER A 11 10.857 -3.618 -9.587 1.00 0.00 H new ATOM 0 HA SER A 11 9.340 -1.667 -8.196 1.00 0.00 H new ATOM 0 HB2 SER A 11 9.411 -2.220 -10.719 1.00 0.00 H new ATOM 0 HB3 SER A 11 8.359 -3.573 -10.355 1.00 0.00 H new ATOM 0 HG SER A 11 7.170 -1.672 -10.946 1.00 0.00 H new ATOM 140 N SER A 12 7.133 -3.003 -7.496 1.00 0.00 N ATOM 141 CA SER A 12 6.159 -3.688 -6.652 1.00 0.00 C ATOM 142 C SER A 12 6.727 -3.938 -5.257 1.00 0.00 C ATOM 143 O SER A 12 6.440 -4.960 -4.632 1.00 0.00 O ATOM 144 CB SER A 12 5.734 -5.013 -7.291 1.00 0.00 C ATOM 145 OG SER A 12 4.873 -4.794 -8.395 1.00 0.00 O ATOM 0 H SER A 12 6.798 -2.127 -7.896 1.00 0.00 H new ATOM 0 HA SER A 12 5.284 -3.045 -6.558 1.00 0.00 H new ATOM 0 HB2 SER A 12 6.617 -5.562 -7.618 1.00 0.00 H new ATOM 0 HB3 SER A 12 5.229 -5.633 -6.550 1.00 0.00 H new ATOM 0 HG SER A 12 4.617 -5.655 -8.786 1.00 0.00 H new ATOM 151 N ASP A 13 7.530 -2.994 -4.773 1.00 0.00 N ATOM 152 CA ASP A 13 8.138 -3.108 -3.453 1.00 0.00 C ATOM 153 C ASP A 13 8.516 -1.735 -2.906 1.00 0.00 C ATOM 154 O ASP A 13 8.425 -0.728 -3.609 1.00 0.00 O ATOM 155 CB ASP A 13 9.377 -4.004 -3.516 1.00 0.00 C ATOM 156 CG ASP A 13 9.428 -5.003 -2.377 1.00 0.00 C ATOM 157 OD1 ASP A 13 9.314 -4.579 -1.208 1.00 0.00 O ATOM 158 OD2 ASP A 13 9.584 -6.211 -2.654 1.00 0.00 O ATOM 0 H ASP A 13 7.774 -2.141 -5.277 1.00 0.00 H new ATOM 0 HA ASP A 13 7.406 -3.557 -2.781 1.00 0.00 H new ATOM 0 HB2 ASP A 13 9.387 -4.539 -4.465 1.00 0.00 H new ATOM 0 HB3 ASP A 13 10.272 -3.383 -3.491 1.00 0.00 H new ATOM 163 N THR A 14 8.941 -1.702 -1.646 1.00 0.00 N ATOM 164 CA THR A 14 9.332 -0.453 -1.002 1.00 0.00 C ATOM 165 C THR A 14 10.686 -0.589 -0.313 1.00 0.00 C ATOM 166 O THR A 14 10.941 -1.567 0.387 1.00 0.00 O ATOM 167 CB THR A 14 8.286 0.007 0.034 1.00 0.00 C ATOM 168 OG1 THR A 14 8.942 0.528 1.198 1.00 0.00 O ATOM 169 CG2 THR A 14 7.373 -1.143 0.438 1.00 0.00 C ATOM 0 H THR A 14 9.023 -2.526 -1.051 1.00 0.00 H new ATOM 0 HA THR A 14 9.400 0.296 -1.791 1.00 0.00 H new ATOM 0 HB THR A 14 7.679 0.788 -0.425 1.00 0.00 H new ATOM 0 HG1 THR A 14 8.270 0.819 1.849 1.00 0.00 H new ATOM 0 HG21 THR A 14 6.645 -0.790 1.169 1.00 0.00 H new ATOM 0 HG22 THR A 14 6.850 -1.519 -0.442 1.00 0.00 H new ATOM 0 HG23 THR A 14 7.969 -1.944 0.876 1.00 0.00 H new ATOM 177 N CYS A 15 11.550 0.400 -0.519 1.00 0.00 N ATOM 178 CA CYS A 15 12.879 0.396 0.082 1.00 0.00 C ATOM 179 C CYS A 15 13.035 1.561 1.054 1.00 0.00 C ATOM 180 O CYS A 15 12.737 2.705 0.716 1.00 0.00 O ATOM 181 CB CYS A 15 13.948 0.477 -1.010 1.00 0.00 C ATOM 182 SG CYS A 15 15.475 1.331 -0.501 1.00 0.00 S ATOM 0 H CYS A 15 11.353 1.216 -1.099 1.00 0.00 H new ATOM 0 HA CYS A 15 13.004 -0.534 0.636 1.00 0.00 H new ATOM 0 HB2 CYS A 15 14.200 -0.534 -1.331 1.00 0.00 H new ATOM 0 HB3 CYS A 15 13.529 0.991 -1.875 1.00 0.00 H new ATOM 187 N CYS A 16 13.499 1.261 2.264 1.00 0.00 N ATOM 188 CA CYS A 16 13.688 2.289 3.282 1.00 0.00 C ATOM 189 C CYS A 16 15.011 2.105 4.019 1.00 0.00 C ATOM 190 O CYS A 16 15.786 1.196 3.717 1.00 0.00 O ATOM 191 CB CYS A 16 12.528 2.264 4.280 1.00 0.00 C ATOM 192 SG CYS A 16 11.607 3.817 4.380 1.00 0.00 S ATOM 0 H CYS A 16 13.750 0.318 2.562 1.00 0.00 H new ATOM 0 HA CYS A 16 13.711 3.256 2.779 1.00 0.00 H new ATOM 0 HB2 CYS A 16 11.841 1.464 4.003 1.00 0.00 H new ATOM 0 HB3 CYS A 16 12.918 2.021 5.268 1.00 0.00 H new ATOM 0 HG CYS A 16 10.646 3.697 5.247 1.00 0.00 H new ATOM 198 N GLN A 17 15.260 2.980 4.989 1.00 0.00 N ATOM 199 CA GLN A 17 16.485 2.927 5.777 1.00 0.00 C ATOM 200 C GLN A 17 16.403 1.833 6.836 1.00 0.00 C ATOM 201 O GLN A 17 15.330 1.287 7.097 1.00 0.00 O ATOM 202 CB GLN A 17 16.739 4.279 6.446 1.00 0.00 C ATOM 203 CG GLN A 17 18.110 4.862 6.142 1.00 0.00 C ATOM 204 CD GLN A 17 18.880 5.224 7.397 1.00 0.00 C ATOM 205 OE1 GLN A 17 18.539 4.790 8.497 1.00 0.00 O ATOM 206 NE2 GLN A 17 19.926 6.025 7.237 1.00 0.00 N ATOM 0 H GLN A 17 14.627 3.736 5.248 1.00 0.00 H new ATOM 0 HA GLN A 17 17.312 2.697 5.105 1.00 0.00 H new ATOM 0 HB2 GLN A 17 15.974 4.984 6.122 1.00 0.00 H new ATOM 0 HB3 GLN A 17 16.633 4.166 7.525 1.00 0.00 H new ATOM 0 HG2 GLN A 17 18.686 4.142 5.561 1.00 0.00 H new ATOM 0 HG3 GLN A 17 17.994 5.751 5.522 1.00 0.00 H new ATOM 0 HE21 GLN A 17 20.173 6.361 6.306 1.00 0.00 H new ATOM 0 HE22 GLN A 17 20.483 6.304 8.045 1.00 0.00 H new ATOM 215 N LEU A 18 17.541 1.518 7.445 1.00 0.00 N ATOM 216 CA LEU A 18 17.597 0.491 8.478 1.00 0.00 C ATOM 217 C LEU A 18 18.396 0.974 9.683 1.00 0.00 C ATOM 218 O LEU A 18 19.413 1.655 9.536 1.00 0.00 O ATOM 219 CB LEU A 18 18.221 -0.791 7.920 1.00 0.00 C ATOM 220 CG LEU A 18 17.224 -1.889 7.549 1.00 0.00 C ATOM 221 CD1 LEU A 18 17.884 -2.927 6.656 1.00 0.00 C ATOM 222 CD2 LEU A 18 16.662 -2.542 8.802 1.00 0.00 C ATOM 0 H LEU A 18 18.437 1.960 7.241 1.00 0.00 H new ATOM 0 HA LEU A 18 16.577 0.281 8.801 1.00 0.00 H new ATOM 0 HB2 LEU A 18 18.804 -0.537 7.035 1.00 0.00 H new ATOM 0 HB3 LEU A 18 18.918 -1.189 8.658 1.00 0.00 H new ATOM 0 HG LEU A 18 16.400 -1.436 6.998 1.00 0.00 H new ATOM 0 HD11 LEU A 18 17.160 -3.701 6.402 1.00 0.00 H new ATOM 0 HD12 LEU A 18 18.240 -2.449 5.743 1.00 0.00 H new ATOM 0 HD13 LEU A 18 18.726 -3.377 7.182 1.00 0.00 H new ATOM 0 HD21 LEU A 18 15.954 -3.321 8.520 1.00 0.00 H new ATOM 0 HD22 LEU A 18 17.475 -2.982 9.379 1.00 0.00 H new ATOM 0 HD23 LEU A 18 16.153 -1.791 9.407 1.00 0.00 H new ATOM 234 N THR A 19 17.930 0.618 10.876 1.00 0.00 N ATOM 235 CA THR A 19 18.598 1.014 12.110 1.00 0.00 C ATOM 236 C THR A 19 19.876 0.208 12.326 1.00 0.00 C ATOM 237 O THR A 19 20.568 0.383 13.330 1.00 0.00 O ATOM 238 CB THR A 19 17.676 0.832 13.329 1.00 0.00 C ATOM 239 OG1 THR A 19 16.858 -0.331 13.157 1.00 0.00 O ATOM 240 CG2 THR A 19 16.793 2.054 13.527 1.00 0.00 C ATOM 0 H THR A 19 17.091 0.055 11.014 1.00 0.00 H new ATOM 0 HA THR A 19 18.851 2.070 12.010 1.00 0.00 H new ATOM 0 HB THR A 19 18.301 0.708 14.213 1.00 0.00 H new ATOM 0 HG1 THR A 19 16.276 -0.440 13.938 1.00 0.00 H new ATOM 0 HG21 THR A 19 16.150 1.902 14.394 1.00 0.00 H new ATOM 0 HG22 THR A 19 17.418 2.932 13.688 1.00 0.00 H new ATOM 0 HG23 THR A 19 16.177 2.205 12.641 1.00 0.00 H new ATOM 248 N SER A 20 20.182 -0.675 11.380 1.00 0.00 N ATOM 249 CA SER A 20 21.376 -1.510 11.467 1.00 0.00 C ATOM 250 C SER A 20 22.617 -0.735 11.031 1.00 0.00 C ATOM 251 O SER A 20 23.727 -1.018 11.483 1.00 0.00 O ATOM 252 CB SER A 20 21.214 -2.763 10.605 1.00 0.00 C ATOM 253 OG SER A 20 20.074 -3.508 10.997 1.00 0.00 O ATOM 0 H SER A 20 19.619 -0.831 10.544 1.00 0.00 H new ATOM 0 HA SER A 20 21.503 -1.808 12.508 1.00 0.00 H new ATOM 0 HB2 SER A 20 21.123 -2.478 9.557 1.00 0.00 H new ATOM 0 HB3 SER A 20 22.105 -3.385 10.690 1.00 0.00 H new ATOM 0 HG SER A 20 19.992 -4.303 10.430 1.00 0.00 H new ATOM 259 N GLY A 21 22.420 0.242 10.151 1.00 0.00 N ATOM 260 CA GLY A 21 23.532 1.042 9.668 1.00 0.00 C ATOM 261 C GLY A 21 23.562 1.148 8.155 1.00 0.00 C ATOM 262 O GLY A 21 24.329 1.933 7.598 1.00 0.00 O ATOM 0 H GLY A 21 21.511 0.494 9.764 1.00 0.00 H new ATOM 0 HA2 GLY A 21 23.469 2.042 10.097 1.00 0.00 H new ATOM 0 HA3 GLY A 21 24.468 0.604 10.016 1.00 0.00 H new ATOM 266 N GLU A 22 22.726 0.355 7.490 1.00 0.00 N ATOM 267 CA GLU A 22 22.661 0.362 6.031 1.00 0.00 C ATOM 268 C GLU A 22 21.220 0.521 5.555 1.00 0.00 C ATOM 269 O GLU A 22 20.319 0.790 6.349 1.00 0.00 O ATOM 270 CB GLU A 22 23.255 -0.929 5.463 1.00 0.00 C ATOM 271 CG GLU A 22 24.601 -1.299 6.065 1.00 0.00 C ATOM 272 CD GLU A 22 25.014 -2.721 5.736 1.00 0.00 C ATOM 273 OE1 GLU A 22 25.098 -3.051 4.535 1.00 0.00 O ATOM 274 OE2 GLU A 22 25.252 -3.503 6.680 1.00 0.00 O ATOM 0 H GLU A 22 22.085 -0.300 7.937 1.00 0.00 H new ATOM 0 HA GLU A 22 23.244 1.210 5.671 1.00 0.00 H new ATOM 0 HB2 GLU A 22 22.554 -1.746 5.633 1.00 0.00 H new ATOM 0 HB3 GLU A 22 23.366 -0.823 4.384 1.00 0.00 H new ATOM 0 HG2 GLU A 22 25.361 -0.609 5.698 1.00 0.00 H new ATOM 0 HG3 GLU A 22 24.557 -1.178 7.147 1.00 0.00 H new ATOM 281 N TRP A 23 21.011 0.350 4.253 1.00 0.00 N ATOM 282 CA TRP A 23 19.681 0.469 3.668 1.00 0.00 C ATOM 283 C TRP A 23 19.108 -0.909 3.355 1.00 0.00 C ATOM 284 O TRP A 23 19.853 -1.871 3.174 1.00 0.00 O ATOM 285 CB TRP A 23 19.736 1.315 2.395 1.00 0.00 C ATOM 286 CG TRP A 23 19.815 2.788 2.660 1.00 0.00 C ATOM 287 CD1 TRP A 23 20.899 3.480 3.118 1.00 0.00 C ATOM 288 CD2 TRP A 23 18.769 3.750 2.483 1.00 0.00 C ATOM 289 NE1 TRP A 23 20.590 4.814 3.237 1.00 0.00 N ATOM 290 CE2 TRP A 23 19.290 5.005 2.854 1.00 0.00 C ATOM 291 CE3 TRP A 23 17.442 3.672 2.049 1.00 0.00 C ATOM 292 CZ2 TRP A 23 18.530 6.171 2.801 1.00 0.00 C ATOM 293 CZ3 TRP A 23 16.690 4.831 1.997 1.00 0.00 C ATOM 294 CH2 TRP A 23 17.235 6.066 2.371 1.00 0.00 C ATOM 0 H TRP A 23 21.747 0.128 3.583 1.00 0.00 H new ATOM 0 HA TRP A 23 19.030 0.960 4.391 1.00 0.00 H new ATOM 0 HB2 TRP A 23 20.601 1.013 1.805 1.00 0.00 H new ATOM 0 HB3 TRP A 23 18.851 1.109 1.793 1.00 0.00 H new ATOM 0 HD1 TRP A 23 21.859 3.043 3.352 1.00 0.00 H new ATOM 0 HE1 TRP A 23 21.226 5.543 3.559 1.00 0.00 H new ATOM 0 HE3 TRP A 23 17.013 2.724 1.760 1.00 0.00 H new ATOM 0 HZ2 TRP A 23 18.948 7.124 3.089 1.00 0.00 H new ATOM 0 HZ3 TRP A 23 15.664 4.783 1.662 1.00 0.00 H new ATOM 0 HH2 TRP A 23 16.621 6.953 2.319 1.00 0.00 H new ATOM 305 N GLY A 24 17.782 -1.000 3.291 1.00 0.00 N ATOM 306 CA GLY A 24 17.146 -2.272 2.999 1.00 0.00 C ATOM 307 C GLY A 24 15.730 -2.114 2.482 1.00 0.00 C ATOM 308 O GLY A 24 15.220 -0.999 2.377 1.00 0.00 O ATOM 0 H GLY A 24 17.140 -0.220 3.435 1.00 0.00 H new ATOM 0 HA2 GLY A 24 17.740 -2.809 2.260 1.00 0.00 H new ATOM 0 HA3 GLY A 24 17.133 -2.882 3.902 1.00 0.00 H new ATOM 312 N CYS A 25 15.095 -3.236 2.155 1.00 0.00 N ATOM 313 CA CYS A 25 13.729 -3.218 1.646 1.00 0.00 C ATOM 314 C CYS A 25 12.769 -3.867 2.637 1.00 0.00 C ATOM 315 O CYS A 25 13.178 -4.657 3.488 1.00 0.00 O ATOM 316 CB CYS A 25 13.656 -3.939 0.299 1.00 0.00 C ATOM 317 SG CYS A 25 14.764 -3.251 -0.973 1.00 0.00 S ATOM 0 H CYS A 25 15.504 -4.167 2.234 1.00 0.00 H new ATOM 0 HA CYS A 25 13.432 -2.178 1.511 1.00 0.00 H new ATOM 0 HB2 CYS A 25 13.900 -4.991 0.448 1.00 0.00 H new ATOM 0 HB3 CYS A 25 12.630 -3.899 -0.068 1.00 0.00 H new ATOM 322 N CYS A 26 11.491 -3.523 2.519 1.00 0.00 N ATOM 323 CA CYS A 26 10.463 -4.065 3.400 1.00 0.00 C ATOM 324 C CYS A 26 9.886 -5.357 2.822 1.00 0.00 C ATOM 325 O CYS A 26 9.809 -5.511 1.602 1.00 0.00 O ATOM 326 CB CYS A 26 9.352 -3.030 3.602 1.00 0.00 C ATOM 327 SG CYS A 26 7.719 -3.735 3.929 1.00 0.00 S ATOM 0 H CYS A 26 11.141 -2.869 1.819 1.00 0.00 H new ATOM 0 HA CYS A 26 10.915 -4.294 4.365 1.00 0.00 H new ATOM 0 HB2 CYS A 26 9.626 -2.380 4.433 1.00 0.00 H new ATOM 0 HB3 CYS A 26 9.291 -2.403 2.713 1.00 0.00 H new ATOM 0 HG CYS A 26 6.856 -2.776 4.086 1.00 0.00 H new ATOM 333 N PRO A 27 9.475 -6.304 3.692 1.00 0.00 N ATOM 334 CA PRO A 27 8.907 -7.583 3.267 1.00 0.00 C ATOM 335 C PRO A 27 8.025 -7.455 2.027 1.00 0.00 C ATOM 336 O PRO A 27 7.042 -6.713 2.027 1.00 0.00 O ATOM 337 CB PRO A 27 8.079 -7.995 4.480 1.00 0.00 C ATOM 338 CG PRO A 27 8.836 -7.452 5.646 1.00 0.00 C ATOM 339 CD PRO A 27 9.537 -6.203 5.165 1.00 0.00 C ATOM 0 HA PRO A 27 9.673 -8.303 2.980 1.00 0.00 H new ATOM 0 HB2 PRO A 27 7.072 -7.582 4.433 1.00 0.00 H new ATOM 0 HB3 PRO A 27 7.977 -9.078 4.542 1.00 0.00 H new ATOM 0 HG2 PRO A 27 8.163 -7.224 6.472 1.00 0.00 H new ATOM 0 HG3 PRO A 27 9.556 -8.183 6.014 1.00 0.00 H new ATOM 0 HD2 PRO A 27 9.040 -5.302 5.525 1.00 0.00 H new ATOM 0 HD3 PRO A 27 10.567 -6.162 5.519 1.00 0.00 H new ATOM 347 N ILE A 28 8.395 -8.179 0.973 1.00 0.00 N ATOM 348 CA ILE A 28 7.658 -8.154 -0.286 1.00 0.00 C ATOM 349 C ILE A 28 6.152 -8.306 -0.059 1.00 0.00 C ATOM 350 O ILE A 28 5.716 -9.167 0.706 1.00 0.00 O ATOM 351 CB ILE A 28 8.146 -9.270 -1.236 1.00 0.00 C ATOM 352 CG1 ILE A 28 7.371 -9.232 -2.557 1.00 0.00 C ATOM 353 CG2 ILE A 28 8.007 -10.632 -0.572 1.00 0.00 C ATOM 354 CD1 ILE A 28 7.973 -10.104 -3.638 1.00 0.00 C ATOM 0 H ILE A 28 9.208 -8.795 0.968 1.00 0.00 H new ATOM 0 HA ILE A 28 7.847 -7.183 -0.744 1.00 0.00 H new ATOM 0 HB ILE A 28 9.200 -9.099 -1.454 1.00 0.00 H new ATOM 0 HG12 ILE A 28 6.344 -9.550 -2.375 1.00 0.00 H new ATOM 0 HG13 ILE A 28 7.328 -8.203 -2.914 1.00 0.00 H new ATOM 0 HG21 ILE A 28 8.355 -11.407 -1.255 1.00 0.00 H new ATOM 0 HG22 ILE A 28 8.605 -10.655 0.339 1.00 0.00 H new ATOM 0 HG23 ILE A 28 6.961 -10.811 -0.324 1.00 0.00 H new ATOM 0 HD11 ILE A 28 7.372 -10.027 -4.544 1.00 0.00 H new ATOM 0 HD12 ILE A 28 8.990 -9.773 -3.848 1.00 0.00 H new ATOM 0 HD13 ILE A 28 7.991 -11.141 -3.301 1.00 0.00 H new ATOM 366 N PRO A 29 5.336 -7.459 -0.719 1.00 0.00 N ATOM 367 CA PRO A 29 3.876 -7.491 -0.589 1.00 0.00 C ATOM 368 C PRO A 29 3.262 -8.700 -1.289 1.00 0.00 C ATOM 369 O PRO A 29 2.567 -8.562 -2.296 1.00 0.00 O ATOM 370 CB PRO A 29 3.415 -6.188 -1.267 1.00 0.00 C ATOM 371 CG PRO A 29 4.659 -5.399 -1.522 1.00 0.00 C ATOM 372 CD PRO A 29 5.768 -6.400 -1.635 1.00 0.00 C ATOM 0 HA PRO A 29 3.566 -7.571 0.453 1.00 0.00 H new ATOM 0 HB2 PRO A 29 2.887 -6.397 -2.197 1.00 0.00 H new ATOM 0 HB3 PRO A 29 2.727 -5.636 -0.627 1.00 0.00 H new ATOM 0 HG2 PRO A 29 4.568 -4.813 -2.436 1.00 0.00 H new ATOM 0 HG3 PRO A 29 4.849 -4.697 -0.710 1.00 0.00 H new ATOM 0 HD2 PRO A 29 5.880 -6.767 -2.655 1.00 0.00 H new ATOM 0 HD3 PRO A 29 6.728 -5.976 -1.341 1.00 0.00 H new ATOM 380 N GLU A 30 3.524 -9.885 -0.748 1.00 0.00 N ATOM 381 CA GLU A 30 3.000 -11.121 -1.318 1.00 0.00 C ATOM 382 C GLU A 30 2.638 -12.119 -0.222 1.00 0.00 C ATOM 383 O GLU A 30 2.726 -11.810 0.966 1.00 0.00 O ATOM 384 CB GLU A 30 4.028 -11.743 -2.267 1.00 0.00 C ATOM 385 CG GLU A 30 3.464 -12.093 -3.633 1.00 0.00 C ATOM 386 CD GLU A 30 4.187 -11.383 -4.761 1.00 0.00 C ATOM 387 OE1 GLU A 30 4.312 -10.141 -4.697 1.00 0.00 O ATOM 388 OE2 GLU A 30 4.629 -12.068 -5.708 1.00 0.00 O ATOM 0 H GLU A 30 4.097 -10.016 0.086 1.00 0.00 H new ATOM 0 HA GLU A 30 2.095 -10.878 -1.876 1.00 0.00 H new ATOM 0 HB2 GLU A 30 4.859 -11.049 -2.394 1.00 0.00 H new ATOM 0 HB3 GLU A 30 4.433 -12.645 -1.809 1.00 0.00 H new ATOM 0 HG2 GLU A 30 3.531 -13.170 -3.785 1.00 0.00 H new ATOM 0 HG3 GLU A 30 2.406 -11.832 -3.663 1.00 0.00 H new ATOM 395 N ALA A 31 2.235 -13.318 -0.632 1.00 0.00 N ATOM 396 CA ALA A 31 1.863 -14.366 0.311 1.00 0.00 C ATOM 397 C ALA A 31 2.960 -15.420 0.408 1.00 0.00 C ATOM 398 O ALA A 31 3.356 -15.823 1.503 1.00 0.00 O ATOM 399 CB ALA A 31 0.546 -15.006 -0.101 1.00 0.00 C ATOM 0 H ALA A 31 2.158 -13.588 -1.613 1.00 0.00 H new ATOM 0 HA ALA A 31 1.738 -13.913 1.294 1.00 0.00 H new ATOM 0 HB1 ALA A 31 0.282 -15.786 0.613 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -0.237 -14.248 -0.117 1.00 0.00 H new ATOM 0 HB3 ALA A 31 0.649 -15.443 -1.094 1.00 0.00 H new ATOM 405 N VAL A 32 3.450 -15.857 -0.748 1.00 0.00 N ATOM 406 CA VAL A 32 4.508 -16.859 -0.804 1.00 0.00 C ATOM 407 C VAL A 32 5.707 -16.328 -1.584 1.00 0.00 C ATOM 408 O VAL A 32 5.598 -16.015 -2.769 1.00 0.00 O ATOM 409 CB VAL A 32 4.011 -18.169 -1.453 1.00 0.00 C ATOM 410 CG1 VAL A 32 3.209 -18.987 -0.452 1.00 0.00 C ATOM 411 CG2 VAL A 32 3.179 -17.872 -2.692 1.00 0.00 C ATOM 0 H VAL A 32 3.130 -15.532 -1.660 1.00 0.00 H new ATOM 0 HA VAL A 32 4.808 -17.073 0.222 1.00 0.00 H new ATOM 0 HB VAL A 32 4.879 -18.753 -1.758 1.00 0.00 H new ATOM 0 HG11 VAL A 32 2.866 -19.907 -0.926 1.00 0.00 H new ATOM 0 HG12 VAL A 32 3.837 -19.232 0.404 1.00 0.00 H new ATOM 0 HG13 VAL A 32 2.348 -18.409 -0.117 1.00 0.00 H new ATOM 0 HG21 VAL A 32 2.838 -18.808 -3.135 1.00 0.00 H new ATOM 0 HG22 VAL A 32 2.316 -17.267 -2.414 1.00 0.00 H new ATOM 0 HG23 VAL A 32 3.786 -17.328 -3.416 1.00 0.00 H new ATOM 421 N CYS A 33 6.849 -16.220 -0.909 1.00 0.00 N ATOM 422 CA CYS A 33 8.067 -15.718 -1.539 1.00 0.00 C ATOM 423 C CYS A 33 9.286 -16.531 -1.112 1.00 0.00 C ATOM 424 O CYS A 33 9.614 -16.600 0.073 1.00 0.00 O ATOM 425 CB CYS A 33 8.275 -14.246 -1.182 1.00 0.00 C ATOM 426 SG CYS A 33 7.978 -13.863 0.559 1.00 0.00 S ATOM 0 H CYS A 33 6.956 -16.473 0.073 1.00 0.00 H new ATOM 0 HA CYS A 33 7.952 -15.817 -2.618 1.00 0.00 H new ATOM 0 HB2 CYS A 33 9.296 -13.962 -1.437 1.00 0.00 H new ATOM 0 HB3 CYS A 33 7.612 -13.637 -1.796 1.00 0.00 H new ATOM 0 HG CYS A 33 8.733 -12.868 0.919 1.00 0.00 H new ATOM 432 N CYS A 34 9.961 -17.137 -2.086 1.00 0.00 N ATOM 433 CA CYS A 34 11.151 -17.939 -1.816 1.00 0.00 C ATOM 434 C CYS A 34 12.398 -17.062 -1.793 1.00 0.00 C ATOM 435 O CYS A 34 13.392 -17.396 -1.147 1.00 0.00 O ATOM 436 CB CYS A 34 11.302 -19.040 -2.871 1.00 0.00 C ATOM 437 SG CYS A 34 12.952 -19.817 -2.917 1.00 0.00 S ATOM 0 H CYS A 34 9.703 -17.087 -3.072 1.00 0.00 H new ATOM 0 HA CYS A 34 11.035 -18.402 -0.836 1.00 0.00 H new ATOM 0 HB2 CYS A 34 10.555 -19.812 -2.683 1.00 0.00 H new ATOM 0 HB3 CYS A 34 11.085 -18.618 -3.852 1.00 0.00 H new ATOM 442 N SER A 35 12.333 -15.935 -2.502 1.00 0.00 N ATOM 443 CA SER A 35 13.448 -14.992 -2.572 1.00 0.00 C ATOM 444 C SER A 35 14.661 -15.616 -3.257 1.00 0.00 C ATOM 445 O SER A 35 14.801 -16.839 -3.308 1.00 0.00 O ATOM 446 CB SER A 35 13.830 -14.509 -1.171 1.00 0.00 C ATOM 447 OG SER A 35 13.160 -13.305 -0.845 1.00 0.00 O ATOM 0 H SER A 35 11.513 -15.652 -3.039 1.00 0.00 H new ATOM 0 HA SER A 35 13.122 -14.139 -3.167 1.00 0.00 H new ATOM 0 HB2 SER A 35 13.581 -15.277 -0.438 1.00 0.00 H new ATOM 0 HB3 SER A 35 14.908 -14.355 -1.118 1.00 0.00 H new ATOM 0 HG SER A 35 13.420 -13.019 0.056 1.00 0.00 H new ATOM 453 N ASP A 36 15.537 -14.763 -3.781 1.00 0.00 N ATOM 454 CA ASP A 36 16.743 -15.224 -4.461 1.00 0.00 C ATOM 455 C ASP A 36 17.700 -14.064 -4.717 1.00 0.00 C ATOM 456 O ASP A 36 17.453 -12.937 -4.288 1.00 0.00 O ATOM 457 CB ASP A 36 16.384 -15.903 -5.784 1.00 0.00 C ATOM 458 CG ASP A 36 17.136 -17.203 -5.991 1.00 0.00 C ATOM 459 OD1 ASP A 36 18.193 -17.387 -5.350 1.00 0.00 O ATOM 460 OD2 ASP A 36 16.668 -18.039 -6.793 1.00 0.00 O ATOM 0 H ASP A 36 15.434 -13.749 -3.748 1.00 0.00 H new ATOM 0 HA ASP A 36 17.239 -15.947 -3.813 1.00 0.00 H new ATOM 0 HB2 ASP A 36 15.312 -16.099 -5.809 1.00 0.00 H new ATOM 0 HB3 ASP A 36 16.604 -15.225 -6.608 1.00 0.00 H new ATOM 465 N HIS A 37 18.792 -14.348 -5.421 1.00 0.00 N ATOM 466 CA HIS A 37 19.788 -13.329 -5.736 1.00 0.00 C ATOM 467 C HIS A 37 19.876 -13.106 -7.242 1.00 0.00 C ATOM 468 O HIS A 37 20.456 -12.122 -7.700 1.00 0.00 O ATOM 469 CB HIS A 37 21.157 -13.737 -5.186 1.00 0.00 C ATOM 470 CG HIS A 37 21.653 -12.844 -4.090 1.00 0.00 C ATOM 471 ND1 HIS A 37 21.259 -12.977 -2.774 1.00 0.00 N ATOM 472 CD2 HIS A 37 22.517 -11.801 -4.118 1.00 0.00 C ATOM 473 CE1 HIS A 37 21.858 -12.055 -2.041 1.00 0.00 C ATOM 474 NE2 HIS A 37 22.627 -11.329 -2.833 1.00 0.00 N ATOM 0 H HIS A 37 19.010 -15.276 -5.784 1.00 0.00 H new ATOM 0 HA HIS A 37 19.480 -12.395 -5.265 1.00 0.00 H new ATOM 0 HB2 HIS A 37 21.099 -14.759 -4.812 1.00 0.00 H new ATOM 0 HB3 HIS A 37 21.882 -13.736 -6.000 1.00 0.00 H new ATOM 0 HD2 HIS A 37 23.025 -11.413 -4.989 1.00 0.00 H new ATOM 0 HE1 HIS A 37 21.739 -11.918 -0.976 1.00 0.00 H new ATOM 0 HE2 HIS A 37 23.208 -10.545 -2.538 1.00 0.00 H new ATOM 483 N GLN A 38 19.296 -14.027 -8.005 1.00 0.00 N ATOM 484 CA GLN A 38 19.307 -13.933 -9.461 1.00 0.00 C ATOM 485 C GLN A 38 17.891 -14.017 -10.023 1.00 0.00 C ATOM 486 O GLN A 38 17.372 -13.044 -10.572 1.00 0.00 O ATOM 487 CB GLN A 38 20.169 -15.047 -10.058 1.00 0.00 C ATOM 488 CG GLN A 38 21.645 -14.919 -9.720 1.00 0.00 C ATOM 489 CD GLN A 38 22.533 -15.051 -10.941 1.00 0.00 C ATOM 490 OE1 GLN A 38 22.929 -16.153 -11.319 1.00 0.00 O ATOM 491 NE2 GLN A 38 22.851 -13.923 -11.565 1.00 0.00 N ATOM 0 H GLN A 38 18.812 -14.847 -7.639 1.00 0.00 H new ATOM 0 HA GLN A 38 19.731 -12.967 -9.734 1.00 0.00 H new ATOM 0 HB2 GLN A 38 19.804 -16.009 -9.699 1.00 0.00 H new ATOM 0 HB3 GLN A 38 20.051 -15.046 -11.142 1.00 0.00 H new ATOM 0 HG2 GLN A 38 21.824 -13.953 -9.247 1.00 0.00 H new ATOM 0 HG3 GLN A 38 21.916 -15.685 -8.993 1.00 0.00 H new ATOM 0 HE21 GLN A 38 22.500 -13.031 -11.216 1.00 0.00 H new ATOM 0 HE22 GLN A 38 23.446 -13.949 -12.393 1.00 0.00 H new ATOM 500 N HIS A 39 17.271 -15.185 -9.880 1.00 0.00 N ATOM 501 CA HIS A 39 15.913 -15.397 -10.371 1.00 0.00 C ATOM 502 C HIS A 39 14.894 -14.733 -9.452 1.00 0.00 C ATOM 503 O HIS A 39 15.254 -13.954 -8.569 1.00 0.00 O ATOM 504 CB HIS A 39 15.618 -16.895 -10.483 1.00 0.00 C ATOM 505 CG HIS A 39 15.107 -17.312 -11.830 1.00 0.00 C ATOM 506 ND1 HIS A 39 14.911 -18.632 -12.182 1.00 0.00 N ATOM 507 CD2 HIS A 39 14.749 -16.581 -12.914 1.00 0.00 C ATOM 508 CE1 HIS A 39 14.459 -18.693 -13.422 1.00 0.00 C ATOM 509 NE2 HIS A 39 14.351 -17.463 -13.887 1.00 0.00 N ATOM 0 H HIS A 39 17.687 -15.999 -9.428 1.00 0.00 H new ATOM 0 HA HIS A 39 15.834 -14.943 -11.359 1.00 0.00 H new ATOM 0 HB2 HIS A 39 16.528 -17.453 -10.261 1.00 0.00 H new ATOM 0 HB3 HIS A 39 14.884 -17.169 -9.725 1.00 0.00 H new ATOM 0 HD2 HIS A 39 14.773 -15.504 -12.997 1.00 0.00 H new ATOM 0 HE1 HIS A 39 14.219 -19.596 -13.963 1.00 0.00 H new ATOM 0 HE2 HIS A 39 14.024 -17.209 -14.819 1.00 0.00 H new ATOM 518 N CYS A 40 13.620 -15.046 -9.665 1.00 0.00 N ATOM 519 CA CYS A 40 12.547 -14.479 -8.856 1.00 0.00 C ATOM 520 C CYS A 40 11.443 -15.507 -8.617 1.00 0.00 C ATOM 521 O CYS A 40 10.330 -15.368 -9.125 1.00 0.00 O ATOM 522 CB CYS A 40 11.970 -13.239 -9.541 1.00 0.00 C ATOM 523 SG CYS A 40 12.091 -13.270 -11.345 1.00 0.00 S ATOM 0 H CYS A 40 13.305 -15.689 -10.391 1.00 0.00 H new ATOM 0 HA CYS A 40 12.963 -14.192 -7.890 1.00 0.00 H new ATOM 0 HB2 CYS A 40 10.922 -13.136 -9.259 1.00 0.00 H new ATOM 0 HB3 CYS A 40 12.489 -12.356 -9.168 1.00 0.00 H new ATOM 0 HG CYS A 40 11.575 -12.181 -11.833 1.00 0.00 H new ATOM 529 N CYS A 41 11.761 -16.540 -7.841 1.00 0.00 N ATOM 530 CA CYS A 41 10.797 -17.591 -7.535 1.00 0.00 C ATOM 531 C CYS A 41 10.132 -17.345 -6.182 1.00 0.00 C ATOM 532 O CYS A 41 10.785 -16.918 -5.230 1.00 0.00 O ATOM 533 CB CYS A 41 11.482 -18.959 -7.536 1.00 0.00 C ATOM 534 SG CYS A 41 10.877 -20.092 -8.828 1.00 0.00 S ATOM 0 H CYS A 41 12.678 -16.671 -7.414 1.00 0.00 H new ATOM 0 HA CYS A 41 10.027 -17.577 -8.307 1.00 0.00 H new ATOM 0 HB2 CYS A 41 12.555 -18.816 -7.666 1.00 0.00 H new ATOM 0 HB3 CYS A 41 11.338 -19.426 -6.562 1.00 0.00 H new ATOM 539 N PRO A 42 8.818 -17.613 -6.079 1.00 0.00 N ATOM 540 CA PRO A 42 8.065 -17.422 -4.847 1.00 0.00 C ATOM 541 C PRO A 42 8.053 -18.675 -3.977 1.00 0.00 C ATOM 542 O PRO A 42 8.560 -19.722 -4.379 1.00 0.00 O ATOM 543 CB PRO A 42 6.666 -17.120 -5.373 1.00 0.00 C ATOM 544 CG PRO A 42 6.550 -17.931 -6.625 1.00 0.00 C ATOM 545 CD PRO A 42 7.953 -18.123 -7.160 1.00 0.00 C ATOM 0 HA PRO A 42 8.485 -16.645 -4.208 1.00 0.00 H new ATOM 0 HB2 PRO A 42 5.901 -17.399 -4.648 1.00 0.00 H new ATOM 0 HB3 PRO A 42 6.540 -16.057 -5.576 1.00 0.00 H new ATOM 0 HG2 PRO A 42 6.081 -18.893 -6.419 1.00 0.00 H new ATOM 0 HG3 PRO A 42 5.924 -17.422 -7.358 1.00 0.00 H new ATOM 0 HD2 PRO A 42 8.159 -19.172 -7.375 1.00 0.00 H new ATOM 0 HD3 PRO A 42 8.106 -17.572 -8.088 1.00 0.00 H new ATOM 553 N GLN A 43 7.466 -18.566 -2.789 1.00 0.00 N ATOM 554 CA GLN A 43 7.385 -19.697 -1.874 1.00 0.00 C ATOM 555 C GLN A 43 6.284 -20.654 -2.307 1.00 0.00 C ATOM 556 O GLN A 43 6.095 -21.712 -1.705 1.00 0.00 O ATOM 557 CB GLN A 43 7.136 -19.224 -0.441 1.00 0.00 C ATOM 558 CG GLN A 43 8.317 -19.451 0.489 1.00 0.00 C ATOM 559 CD GLN A 43 7.896 -19.967 1.852 1.00 0.00 C ATOM 560 OE1 GLN A 43 7.033 -20.839 1.958 1.00 0.00 O ATOM 561 NE2 GLN A 43 8.506 -19.431 2.902 1.00 0.00 N ATOM 0 H GLN A 43 7.041 -17.708 -2.439 1.00 0.00 H new ATOM 0 HA GLN A 43 8.340 -20.222 -1.902 1.00 0.00 H new ATOM 0 HB2 GLN A 43 6.894 -18.161 -0.455 1.00 0.00 H new ATOM 0 HB3 GLN A 43 6.265 -19.744 -0.042 1.00 0.00 H new ATOM 0 HG2 GLN A 43 9.003 -20.163 0.031 1.00 0.00 H new ATOM 0 HG3 GLN A 43 8.863 -18.516 0.612 1.00 0.00 H new ATOM 0 HE21 GLN A 43 9.215 -18.711 2.767 1.00 0.00 H new ATOM 0 HE22 GLN A 43 8.265 -19.739 3.844 1.00 0.00 H new ATOM 570 N GLY A 44 5.564 -20.280 -3.364 1.00 0.00 N ATOM 571 CA GLY A 44 4.497 -21.123 -3.872 1.00 0.00 C ATOM 572 C GLY A 44 5.020 -22.472 -4.320 1.00 0.00 C ATOM 573 O GLY A 44 4.249 -23.371 -4.655 1.00 0.00 O ATOM 0 H GLY A 44 5.702 -19.409 -3.876 1.00 0.00 H new ATOM 0 HA2 GLY A 44 3.743 -21.263 -3.098 1.00 0.00 H new ATOM 0 HA3 GLY A 44 4.006 -20.626 -4.709 1.00 0.00 H new ATOM 577 N TYR A 45 6.343 -22.601 -4.320 1.00 0.00 N ATOM 578 CA TYR A 45 7.012 -23.831 -4.714 1.00 0.00 C ATOM 579 C TYR A 45 8.215 -24.075 -3.807 1.00 0.00 C ATOM 580 O TYR A 45 8.557 -23.226 -2.983 1.00 0.00 O ATOM 581 CB TYR A 45 7.473 -23.741 -6.172 1.00 0.00 C ATOM 582 CG TYR A 45 6.438 -23.156 -7.108 1.00 0.00 C ATOM 583 CD1 TYR A 45 5.457 -23.957 -7.679 1.00 0.00 C ATOM 584 CD2 TYR A 45 6.444 -21.802 -7.419 1.00 0.00 C ATOM 585 CE1 TYR A 45 4.511 -23.425 -8.535 1.00 0.00 C ATOM 586 CE2 TYR A 45 5.501 -21.262 -8.273 1.00 0.00 C ATOM 587 CZ TYR A 45 4.538 -22.077 -8.829 1.00 0.00 C ATOM 588 OH TYR A 45 3.596 -21.544 -9.680 1.00 0.00 O ATOM 0 H TYR A 45 6.980 -21.853 -4.046 1.00 0.00 H new ATOM 0 HA TYR A 45 6.311 -24.660 -4.617 1.00 0.00 H new ATOM 0 HB2 TYR A 45 8.377 -23.133 -6.220 1.00 0.00 H new ATOM 0 HB3 TYR A 45 7.741 -24.739 -6.520 1.00 0.00 H new ATOM 0 HD1 TYR A 45 5.433 -25.012 -7.450 1.00 0.00 H new ATOM 0 HD2 TYR A 45 7.198 -21.161 -6.986 1.00 0.00 H new ATOM 0 HE1 TYR A 45 3.755 -24.061 -8.971 1.00 0.00 H new ATOM 0 HE2 TYR A 45 5.518 -20.207 -8.504 1.00 0.00 H new ATOM 0 HH TYR A 45 3.754 -20.582 -9.781 1.00 0.00 H new ATOM 598 N THR A 46 8.864 -25.224 -3.962 1.00 0.00 N ATOM 599 CA THR A 46 10.031 -25.541 -3.152 1.00 0.00 C ATOM 600 C THR A 46 11.305 -25.236 -3.926 1.00 0.00 C ATOM 601 O THR A 46 11.489 -25.702 -5.051 1.00 0.00 O ATOM 602 CB THR A 46 10.044 -27.018 -2.711 1.00 0.00 C ATOM 603 OG1 THR A 46 8.825 -27.337 -2.027 1.00 0.00 O ATOM 604 CG2 THR A 46 11.229 -27.301 -1.799 1.00 0.00 C ATOM 0 H THR A 46 8.604 -25.945 -4.635 1.00 0.00 H new ATOM 0 HA THR A 46 9.981 -24.921 -2.257 1.00 0.00 H new ATOM 0 HB THR A 46 10.134 -27.638 -3.603 1.00 0.00 H new ATOM 0 HG1 THR A 46 8.841 -28.277 -1.752 1.00 0.00 H new ATOM 0 HG21 THR A 46 11.217 -28.349 -1.501 1.00 0.00 H new ATOM 0 HG22 THR A 46 12.156 -27.086 -2.330 1.00 0.00 H new ATOM 0 HG23 THR A 46 11.164 -26.671 -0.912 1.00 0.00 H new ATOM 612 N CYS A 47 12.172 -24.431 -3.320 1.00 0.00 N ATOM 613 CA CYS A 47 13.427 -24.036 -3.947 1.00 0.00 C ATOM 614 C CYS A 47 14.510 -25.086 -3.714 1.00 0.00 C ATOM 615 O CYS A 47 15.244 -25.029 -2.727 1.00 0.00 O ATOM 616 CB CYS A 47 13.882 -22.679 -3.402 1.00 0.00 C ATOM 617 SG CYS A 47 12.586 -21.772 -2.491 1.00 0.00 S ATOM 0 H CYS A 47 12.026 -24.038 -2.390 1.00 0.00 H new ATOM 0 HA CYS A 47 13.260 -23.953 -5.021 1.00 0.00 H new ATOM 0 HB2 CYS A 47 14.736 -22.832 -2.742 1.00 0.00 H new ATOM 0 HB3 CYS A 47 14.227 -22.063 -4.232 1.00 0.00 H new ATOM 622 N VAL A 48 14.602 -26.042 -4.633 1.00 0.00 N ATOM 623 CA VAL A 48 15.594 -27.107 -4.536 1.00 0.00 C ATOM 624 C VAL A 48 16.613 -27.009 -5.665 1.00 0.00 C ATOM 625 O VAL A 48 16.372 -26.346 -6.675 1.00 0.00 O ATOM 626 CB VAL A 48 14.939 -28.503 -4.576 1.00 0.00 C ATOM 627 CG1 VAL A 48 14.766 -29.054 -3.169 1.00 0.00 C ATOM 628 CG2 VAL A 48 13.606 -28.453 -5.307 1.00 0.00 C ATOM 0 H VAL A 48 14.000 -26.101 -5.455 1.00 0.00 H new ATOM 0 HA VAL A 48 16.096 -26.980 -3.577 1.00 0.00 H new ATOM 0 HB VAL A 48 15.599 -29.175 -5.125 1.00 0.00 H new ATOM 0 HG11 VAL A 48 14.302 -30.039 -3.219 1.00 0.00 H new ATOM 0 HG12 VAL A 48 15.741 -29.135 -2.688 1.00 0.00 H new ATOM 0 HG13 VAL A 48 14.131 -28.383 -2.591 1.00 0.00 H new ATOM 0 HG21 VAL A 48 13.162 -29.448 -5.323 1.00 0.00 H new ATOM 0 HG22 VAL A 48 12.935 -27.765 -4.793 1.00 0.00 H new ATOM 0 HG23 VAL A 48 13.764 -28.110 -6.329 1.00 0.00 H new ATOM 638 N ALA A 49 17.750 -27.675 -5.486 1.00 0.00 N ATOM 639 CA ALA A 49 18.815 -27.673 -6.484 1.00 0.00 C ATOM 640 C ALA A 49 19.324 -26.259 -6.750 1.00 0.00 C ATOM 641 O ALA A 49 20.253 -25.793 -6.091 1.00 0.00 O ATOM 642 CB ALA A 49 18.335 -28.323 -7.776 1.00 0.00 C ATOM 0 H ALA A 49 17.958 -28.226 -4.653 1.00 0.00 H new ATOM 0 HA ALA A 49 19.647 -28.256 -6.088 1.00 0.00 H new ATOM 0 HB1 ALA A 49 19.141 -28.313 -8.510 1.00 0.00 H new ATOM 0 HB2 ALA A 49 18.038 -29.353 -7.577 1.00 0.00 H new ATOM 0 HB3 ALA A 49 17.482 -27.769 -8.167 1.00 0.00 H new ATOM 648 N GLU A 50 18.715 -25.580 -7.720 1.00 0.00 N ATOM 649 CA GLU A 50 19.116 -24.221 -8.067 1.00 0.00 C ATOM 650 C GLU A 50 17.907 -23.376 -8.462 1.00 0.00 C ATOM 651 O GLU A 50 17.136 -22.942 -7.606 1.00 0.00 O ATOM 652 CB GLU A 50 20.144 -24.248 -9.202 1.00 0.00 C ATOM 653 CG GLU A 50 21.552 -24.581 -8.737 1.00 0.00 C ATOM 654 CD GLU A 50 22.366 -23.344 -8.415 1.00 0.00 C ATOM 655 OE1 GLU A 50 22.201 -22.798 -7.303 1.00 0.00 O ATOM 656 OE2 GLU A 50 23.169 -22.921 -9.273 1.00 0.00 O ATOM 0 H GLU A 50 17.944 -25.949 -8.277 1.00 0.00 H new ATOM 0 HA GLU A 50 19.572 -23.765 -7.188 1.00 0.00 H new ATOM 0 HB2 GLU A 50 19.833 -24.981 -9.946 1.00 0.00 H new ATOM 0 HB3 GLU A 50 20.153 -23.277 -9.696 1.00 0.00 H new ATOM 0 HG2 GLU A 50 21.498 -25.217 -7.853 1.00 0.00 H new ATOM 0 HG3 GLU A 50 22.061 -25.155 -9.512 1.00 0.00 H new ATOM 663 N GLY A 51 17.751 -23.142 -9.759 1.00 0.00 N ATOM 664 CA GLY A 51 16.638 -22.345 -10.245 1.00 0.00 C ATOM 665 C GLY A 51 15.370 -23.156 -10.428 1.00 0.00 C ATOM 666 O GLY A 51 14.462 -22.741 -11.150 1.00 0.00 O ATOM 0 H GLY A 51 18.376 -23.490 -10.486 1.00 0.00 H new ATOM 0 HA2 GLY A 51 16.446 -21.532 -9.545 1.00 0.00 H new ATOM 0 HA3 GLY A 51 16.912 -21.888 -11.196 1.00 0.00 H new ATOM 670 N GLN A 52 15.302 -24.311 -9.774 1.00 0.00 N ATOM 671 CA GLN A 52 14.132 -25.175 -9.872 1.00 0.00 C ATOM 672 C GLN A 52 13.199 -24.958 -8.685 1.00 0.00 C ATOM 673 O GLN A 52 13.618 -25.040 -7.530 1.00 0.00 O ATOM 674 CB GLN A 52 14.556 -26.642 -9.945 1.00 0.00 C ATOM 675 CG GLN A 52 13.774 -27.447 -10.968 1.00 0.00 C ATOM 676 CD GLN A 52 13.962 -28.944 -10.805 1.00 0.00 C ATOM 677 OE1 GLN A 52 14.861 -29.395 -10.094 1.00 0.00 O ATOM 678 NE2 GLN A 52 13.112 -29.721 -11.465 1.00 0.00 N ATOM 0 H GLN A 52 16.043 -24.670 -9.171 1.00 0.00 H new ATOM 0 HA GLN A 52 13.596 -24.918 -10.785 1.00 0.00 H new ATOM 0 HB2 GLN A 52 15.617 -26.694 -10.188 1.00 0.00 H new ATOM 0 HB3 GLN A 52 14.431 -27.098 -8.963 1.00 0.00 H new ATOM 0 HG2 GLN A 52 12.714 -27.207 -10.880 1.00 0.00 H new ATOM 0 HG3 GLN A 52 14.086 -27.153 -11.970 1.00 0.00 H new ATOM 0 HE21 GLN A 52 12.382 -29.303 -12.043 1.00 0.00 H new ATOM 0 HE22 GLN A 52 13.188 -30.736 -11.395 1.00 0.00 H new ATOM 687 N CYS A 53 11.932 -24.676 -8.977 1.00 0.00 N ATOM 688 CA CYS A 53 10.942 -24.441 -7.933 1.00 0.00 C ATOM 689 C CYS A 53 9.711 -25.321 -8.132 1.00 0.00 C ATOM 690 O CYS A 53 9.076 -25.291 -9.187 1.00 0.00 O ATOM 691 CB CYS A 53 10.534 -22.967 -7.918 1.00 0.00 C ATOM 692 SG CYS A 53 11.855 -21.828 -8.443 1.00 0.00 S ATOM 0 H CYS A 53 11.568 -24.605 -9.927 1.00 0.00 H new ATOM 0 HA CYS A 53 11.393 -24.700 -6.975 1.00 0.00 H new ATOM 0 HB2 CYS A 53 9.672 -22.833 -8.571 1.00 0.00 H new ATOM 0 HB3 CYS A 53 10.216 -22.699 -6.911 1.00 0.00 H new ATOM 697 N GLN A 54 9.378 -26.099 -7.106 1.00 0.00 N ATOM 698 CA GLN A 54 8.219 -26.988 -7.156 1.00 0.00 C ATOM 699 C GLN A 54 7.740 -27.316 -5.746 1.00 0.00 C ATOM 700 O GLN A 54 8.481 -27.891 -4.954 1.00 0.00 O ATOM 701 CB GLN A 54 8.568 -28.278 -7.902 1.00 0.00 C ATOM 702 CG GLN A 54 7.358 -28.987 -8.490 1.00 0.00 C ATOM 703 CD GLN A 54 7.733 -30.219 -9.290 1.00 0.00 C ATOM 704 OE1 GLN A 54 8.552 -31.030 -8.856 1.00 0.00 O ATOM 705 NE2 GLN A 54 7.134 -30.364 -10.466 1.00 0.00 N ATOM 0 H GLN A 54 9.895 -26.132 -6.227 1.00 0.00 H new ATOM 0 HA GLN A 54 7.418 -26.478 -7.691 1.00 0.00 H new ATOM 0 HB2 GLN A 54 9.268 -28.046 -8.704 1.00 0.00 H new ATOM 0 HB3 GLN A 54 9.080 -28.956 -7.219 1.00 0.00 H new ATOM 0 HG2 GLN A 54 6.683 -29.274 -7.684 1.00 0.00 H new ATOM 0 HG3 GLN A 54 6.812 -28.295 -9.131 1.00 0.00 H new ATOM 0 HE21 GLN A 54 6.462 -29.667 -10.785 1.00 0.00 H new ATOM 0 HE22 GLN A 54 7.346 -31.173 -11.050 1.00 0.00 H new ATOM 714 N LYS A 55 6.504 -26.938 -5.429 1.00 0.00 N ATOM 715 CA LYS A 55 5.946 -27.192 -4.103 1.00 0.00 C ATOM 716 C LYS A 55 5.573 -28.658 -3.941 1.00 0.00 C ATOM 717 O LYS A 55 6.050 -29.518 -4.682 1.00 0.00 O ATOM 718 CB LYS A 55 4.720 -26.307 -3.854 1.00 0.00 C ATOM 719 CG LYS A 55 4.849 -25.424 -2.620 1.00 0.00 C ATOM 720 CD LYS A 55 3.816 -25.782 -1.564 1.00 0.00 C ATOM 721 CE LYS A 55 3.672 -24.678 -0.529 1.00 0.00 C ATOM 722 NZ LYS A 55 3.735 -25.208 0.861 1.00 0.00 N ATOM 0 H LYS A 55 5.872 -26.457 -6.069 1.00 0.00 H new ATOM 0 HA LYS A 55 6.711 -26.947 -3.366 1.00 0.00 H new ATOM 0 HB2 LYS A 55 4.554 -25.676 -4.727 1.00 0.00 H new ATOM 0 HB3 LYS A 55 3.840 -26.941 -3.747 1.00 0.00 H new ATOM 0 HG2 LYS A 55 5.850 -25.528 -2.201 1.00 0.00 H new ATOM 0 HG3 LYS A 55 4.730 -24.379 -2.906 1.00 0.00 H new ATOM 0 HD2 LYS A 55 2.853 -25.962 -2.042 1.00 0.00 H new ATOM 0 HD3 LYS A 55 4.105 -26.710 -1.070 1.00 0.00 H new ATOM 0 HE2 LYS A 55 4.462 -23.941 -0.672 1.00 0.00 H new ATOM 0 HE3 LYS A 55 2.723 -24.162 -0.678 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 3.633 -24.424 1.536 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 2.966 -25.893 1.007 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 4.650 -25.678 1.012 1.00 0.00 H new ATOM 736 N LEU A 56 4.720 -28.931 -2.959 1.00 0.00 N ATOM 737 CA LEU A 56 4.268 -30.292 -2.675 1.00 0.00 C ATOM 738 C LEU A 56 5.424 -31.160 -2.188 1.00 0.00 C ATOM 739 O LEU A 56 6.507 -30.653 -1.888 1.00 0.00 O ATOM 740 CB LEU A 56 3.623 -30.921 -3.917 1.00 0.00 C ATOM 741 CG LEU A 56 2.900 -29.939 -4.843 1.00 0.00 C ATOM 742 CD1 LEU A 56 2.995 -30.403 -6.289 1.00 0.00 C ATOM 743 CD2 LEU A 56 1.446 -29.783 -4.425 1.00 0.00 C ATOM 0 H LEU A 56 4.324 -28.223 -2.341 1.00 0.00 H new ATOM 0 HA LEU A 56 3.520 -30.236 -1.884 1.00 0.00 H new ATOM 0 HB2 LEU A 56 4.397 -31.433 -4.489 1.00 0.00 H new ATOM 0 HB3 LEU A 56 2.912 -31.681 -3.592 1.00 0.00 H new ATOM 0 HG LEU A 56 3.386 -28.967 -4.761 1.00 0.00 H new ATOM 0 HD11 LEU A 56 2.476 -29.694 -6.934 1.00 0.00 H new ATOM 0 HD12 LEU A 56 4.043 -30.462 -6.584 1.00 0.00 H new ATOM 0 HD13 LEU A 56 2.535 -31.386 -6.387 1.00 0.00 H new ATOM 0 HD21 LEU A 56 0.948 -29.081 -5.094 1.00 0.00 H new ATOM 0 HD22 LEU A 56 0.947 -30.751 -4.477 1.00 0.00 H new ATOM 0 HD23 LEU A 56 1.400 -29.405 -3.404 1.00 0.00 H new ATOM 755 N ALA A 57 5.186 -32.467 -2.104 1.00 0.00 N ATOM 756 CA ALA A 57 6.205 -33.408 -1.648 1.00 0.00 C ATOM 757 C ALA A 57 6.653 -33.078 -0.228 1.00 0.00 C ATOM 758 O ALA A 57 7.803 -33.316 0.143 1.00 0.00 O ATOM 759 CB ALA A 57 7.395 -33.406 -2.596 1.00 0.00 C ATOM 0 H ALA A 57 4.294 -32.899 -2.346 1.00 0.00 H new ATOM 0 HA ALA A 57 5.767 -34.406 -1.643 1.00 0.00 H new ATOM 0 HB1 ALA A 57 8.145 -34.113 -2.241 1.00 0.00 H new ATOM 0 HB2 ALA A 57 7.066 -33.697 -3.594 1.00 0.00 H new ATOM 0 HB3 ALA A 57 7.828 -32.407 -2.634 1.00 0.00 H new ATOM 765 N ALA A 58 5.736 -32.527 0.562 1.00 0.00 N ATOM 766 CA ALA A 58 6.030 -32.163 1.941 1.00 0.00 C ATOM 767 C ALA A 58 5.630 -33.277 2.902 1.00 0.00 C ATOM 768 O ALA A 58 5.470 -33.047 4.101 1.00 0.00 O ATOM 769 CB ALA A 58 5.319 -30.868 2.305 1.00 0.00 C ATOM 0 H ALA A 58 4.781 -32.323 0.268 1.00 0.00 H new ATOM 0 HA ALA A 58 7.106 -32.013 2.030 1.00 0.00 H new ATOM 0 HB1 ALA A 58 5.546 -30.606 3.338 1.00 0.00 H new ATOM 0 HB2 ALA A 58 5.658 -30.069 1.645 1.00 0.00 H new ATOM 0 HB3 ALA A 58 4.243 -31.000 2.193 1.00 0.00 H new ATOM 775 N ALA A 59 5.470 -34.484 2.363 1.00 0.00 N ATOM 776 CA ALA A 59 5.088 -35.644 3.165 1.00 0.00 C ATOM 777 C ALA A 59 3.715 -35.448 3.803 1.00 0.00 C ATOM 778 O ALA A 59 3.575 -34.728 4.792 1.00 0.00 O ATOM 779 CB ALA A 59 6.137 -35.918 4.233 1.00 0.00 C ATOM 0 H ALA A 59 5.599 -34.684 1.371 1.00 0.00 H new ATOM 0 HA ALA A 59 5.028 -36.507 2.502 1.00 0.00 H new ATOM 0 HB1 ALA A 59 5.838 -36.785 4.822 1.00 0.00 H new ATOM 0 HB2 ALA A 59 7.098 -36.116 3.757 1.00 0.00 H new ATOM 0 HB3 ALA A 59 6.227 -35.050 4.885 1.00 0.00 H new ATOM 785 N LEU A 60 2.705 -36.097 3.231 1.00 0.00 N ATOM 786 CA LEU A 60 1.342 -35.997 3.744 1.00 0.00 C ATOM 787 C LEU A 60 0.805 -37.370 4.136 1.00 0.00 C ATOM 788 O LEU A 60 1.258 -38.394 3.624 1.00 0.00 O ATOM 789 CB LEU A 60 0.426 -35.359 2.697 1.00 0.00 C ATOM 790 CG LEU A 60 1.011 -34.141 1.981 1.00 0.00 C ATOM 791 CD1 LEU A 60 1.583 -34.541 0.630 1.00 0.00 C ATOM 792 CD2 LEU A 60 -0.048 -33.061 1.816 1.00 0.00 C ATOM 0 H LEU A 60 2.804 -36.697 2.413 1.00 0.00 H new ATOM 0 HA LEU A 60 1.361 -35.367 4.633 1.00 0.00 H new ATOM 0 HB2 LEU A 60 0.172 -36.112 1.951 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -0.505 -35.064 3.182 1.00 0.00 H new ATOM 0 HG LEU A 60 1.820 -33.738 2.590 1.00 0.00 H new ATOM 0 HD11 LEU A 60 1.995 -33.662 0.135 1.00 0.00 H new ATOM 0 HD12 LEU A 60 2.372 -35.280 0.773 1.00 0.00 H new ATOM 0 HD13 LEU A 60 0.793 -34.969 0.013 1.00 0.00 H new ATOM 0 HD21 LEU A 60 0.385 -32.202 1.305 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -0.878 -33.452 1.228 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -0.411 -32.754 2.797 1.00 0.00 H new ATOM 804 N GLU A 61 -0.162 -37.382 5.047 1.00 0.00 N ATOM 805 CA GLU A 61 -0.763 -38.627 5.511 1.00 0.00 C ATOM 806 C GLU A 61 -1.769 -39.161 4.496 1.00 0.00 C ATOM 807 O GLU A 61 -2.439 -38.390 3.808 1.00 0.00 O ATOM 808 CB GLU A 61 -1.447 -38.414 6.862 1.00 0.00 C ATOM 809 CG GLU A 61 -0.494 -37.987 7.966 1.00 0.00 C ATOM 810 CD GLU A 61 -0.645 -38.820 9.223 1.00 0.00 C ATOM 811 OE1 GLU A 61 -0.927 -40.030 9.103 1.00 0.00 O ATOM 812 OE2 GLU A 61 -0.480 -38.262 10.328 1.00 0.00 O ATOM 0 H GLU A 61 -0.547 -36.542 5.479 1.00 0.00 H new ATOM 0 HA GLU A 61 0.032 -39.363 5.626 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -2.224 -37.657 6.751 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -1.943 -39.338 7.159 1.00 0.00 H new ATOM 0 HG2 GLU A 61 0.532 -38.064 7.605 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -0.669 -36.938 8.207 1.00 0.00 H new ATOM 819 N HIS A 62 -1.869 -40.483 4.407 1.00 0.00 N ATOM 820 CA HIS A 62 -2.793 -41.120 3.475 1.00 0.00 C ATOM 821 C HIS A 62 -4.070 -41.560 4.188 1.00 0.00 C ATOM 822 O HIS A 62 -4.163 -42.684 4.680 1.00 0.00 O ATOM 823 CB HIS A 62 -2.128 -42.324 2.804 1.00 0.00 C ATOM 824 CG HIS A 62 -2.512 -42.494 1.368 1.00 0.00 C ATOM 825 ND1 HIS A 62 -2.150 -41.602 0.381 1.00 0.00 N ATOM 826 CD2 HIS A 62 -3.231 -43.462 0.752 1.00 0.00 C ATOM 827 CE1 HIS A 62 -2.630 -42.013 -0.780 1.00 0.00 C ATOM 828 NE2 HIS A 62 -3.289 -43.139 -0.581 1.00 0.00 N ATOM 0 H HIS A 62 -1.321 -41.135 4.969 1.00 0.00 H new ATOM 0 HA HIS A 62 -3.058 -40.389 2.711 1.00 0.00 H new ATOM 0 HB2 HIS A 62 -1.046 -42.216 2.872 1.00 0.00 H new ATOM 0 HB3 HIS A 62 -2.393 -43.228 3.352 1.00 0.00 H new ATOM 0 HD2 HIS A 62 -3.676 -44.327 1.222 1.00 0.00 H new ATOM 0 HE1 HIS A 62 -2.504 -41.513 -1.729 1.00 0.00 H new ATOM 0 HE2 HIS A 62 -3.765 -43.682 -1.302 1.00 0.00 H new ATOM 837 N HIS A 63 -5.052 -40.663 4.236 1.00 0.00 N ATOM 838 CA HIS A 63 -6.325 -40.953 4.886 1.00 0.00 C ATOM 839 C HIS A 63 -7.013 -42.144 4.227 1.00 0.00 C ATOM 840 O HIS A 63 -6.928 -42.329 3.012 1.00 0.00 O ATOM 841 CB HIS A 63 -7.239 -39.727 4.831 1.00 0.00 C ATOM 842 CG HIS A 63 -6.896 -38.677 5.844 1.00 0.00 C ATOM 843 ND1 HIS A 63 -6.345 -37.459 5.507 1.00 0.00 N ATOM 844 CD2 HIS A 63 -7.030 -38.669 7.192 1.00 0.00 C ATOM 845 CE1 HIS A 63 -6.154 -36.747 6.604 1.00 0.00 C ATOM 846 NE2 HIS A 63 -6.561 -37.458 7.639 1.00 0.00 N ATOM 0 H HIS A 63 -4.989 -39.729 3.832 1.00 0.00 H new ATOM 0 HA HIS A 63 -6.125 -41.203 5.928 1.00 0.00 H new ATOM 0 HB2 HIS A 63 -7.186 -39.289 3.834 1.00 0.00 H new ATOM 0 HB3 HIS A 63 -8.270 -40.046 4.985 1.00 0.00 H new ATOM 0 HD2 HIS A 63 -7.431 -39.466 7.801 1.00 0.00 H new ATOM 0 HE1 HIS A 63 -5.736 -35.752 6.646 1.00 0.00 H new ATOM 0 HE2 HIS A 63 -6.532 -37.157 8.613 1.00 0.00 H new ATOM 855 N HIS A 64 -7.695 -42.950 5.036 1.00 0.00 N ATOM 856 CA HIS A 64 -8.398 -44.125 4.533 1.00 0.00 C ATOM 857 C HIS A 64 -9.521 -43.725 3.580 1.00 0.00 C ATOM 858 O HIS A 64 -10.612 -43.354 4.014 1.00 0.00 O ATOM 859 CB HIS A 64 -8.967 -44.941 5.695 1.00 0.00 C ATOM 860 CG HIS A 64 -8.575 -46.386 5.664 1.00 0.00 C ATOM 861 ND1 HIS A 64 -7.321 -46.818 5.288 1.00 0.00 N ATOM 862 CD2 HIS A 64 -9.280 -47.502 5.969 1.00 0.00 C ATOM 863 CE1 HIS A 64 -7.271 -48.137 5.362 1.00 0.00 C ATOM 864 NE2 HIS A 64 -8.446 -48.575 5.774 1.00 0.00 N ATOM 0 H HIS A 64 -7.775 -42.810 6.043 1.00 0.00 H new ATOM 0 HA HIS A 64 -7.682 -44.736 3.984 1.00 0.00 H new ATOM 0 HB2 HIS A 64 -8.631 -44.502 6.634 1.00 0.00 H new ATOM 0 HB3 HIS A 64 -10.054 -44.868 5.680 1.00 0.00 H new ATOM 0 HD2 HIS A 64 -10.306 -47.540 6.303 1.00 0.00 H new ATOM 0 HE1 HIS A 64 -6.415 -48.751 5.126 1.00 0.00 H new ATOM 0 HE2 HIS A 64 -8.694 -49.553 5.923 1.00 0.00 H new ATOM 873 N HIS A 65 -9.245 -43.805 2.283 1.00 0.00 N ATOM 874 CA HIS A 65 -10.232 -43.452 1.268 1.00 0.00 C ATOM 875 C HIS A 65 -10.918 -44.700 0.720 1.00 0.00 C ATOM 876 O HIS A 65 -10.653 -45.813 1.172 1.00 0.00 O ATOM 877 CB HIS A 65 -9.568 -42.679 0.127 1.00 0.00 C ATOM 878 CG HIS A 65 -9.210 -41.268 0.482 1.00 0.00 C ATOM 879 ND1 HIS A 65 -8.310 -40.515 -0.242 1.00 0.00 N ATOM 880 CD2 HIS A 65 -9.639 -40.469 1.490 1.00 0.00 C ATOM 881 CE1 HIS A 65 -8.200 -39.317 0.304 1.00 0.00 C ATOM 882 NE2 HIS A 65 -8.996 -39.264 1.356 1.00 0.00 N ATOM 0 H HIS A 65 -8.347 -44.111 1.909 1.00 0.00 H new ATOM 0 HA HIS A 65 -10.986 -42.819 1.735 1.00 0.00 H new ATOM 0 HB2 HIS A 65 -8.665 -43.207 -0.180 1.00 0.00 H new ATOM 0 HB3 HIS A 65 -10.239 -42.669 -0.732 1.00 0.00 H new ATOM 0 HD2 HIS A 65 -10.354 -40.732 2.256 1.00 0.00 H new ATOM 0 HE1 HIS A 65 -7.567 -38.517 -0.050 1.00 0.00 H new ATOM 0 HE2 HIS A 65 -9.114 -38.458 1.970 1.00 0.00 H new ATOM 891 N HIS A 66 -11.798 -44.506 -0.258 1.00 0.00 N ATOM 892 CA HIS A 66 -12.519 -45.618 -0.866 1.00 0.00 C ATOM 893 C HIS A 66 -11.612 -46.403 -1.809 1.00 0.00 C ATOM 894 O HIS A 66 -10.563 -45.913 -2.229 1.00 0.00 O ATOM 895 CB HIS A 66 -13.744 -45.106 -1.624 1.00 0.00 C ATOM 896 CG HIS A 66 -15.018 -45.228 -0.849 1.00 0.00 C ATOM 897 ND1 HIS A 66 -15.353 -44.383 0.188 1.00 0.00 N ATOM 898 CD2 HIS A 66 -16.042 -46.107 -0.961 1.00 0.00 C ATOM 899 CE1 HIS A 66 -16.527 -44.736 0.681 1.00 0.00 C ATOM 900 NE2 HIS A 66 -16.967 -45.779 0.001 1.00 0.00 N ATOM 0 H HIS A 66 -12.028 -43.591 -0.645 1.00 0.00 H new ATOM 0 HA HIS A 66 -12.848 -46.285 -0.069 1.00 0.00 H new ATOM 0 HB2 HIS A 66 -13.587 -44.060 -1.888 1.00 0.00 H new ATOM 0 HB3 HIS A 66 -13.841 -45.660 -2.558 1.00 0.00 H new ATOM 0 HD2 HIS A 66 -16.118 -46.915 -1.673 1.00 0.00 H new ATOM 0 HE1 HIS A 66 -17.039 -44.254 1.500 1.00 0.00 H new ATOM 0 HE2 HIS A 66 -17.850 -46.263 0.163 1.00 0.00 H new ATOM 909 N HIS A 67 -12.021 -47.626 -2.133 1.00 0.00 N ATOM 910 CA HIS A 67 -11.244 -48.481 -3.023 1.00 0.00 C ATOM 911 C HIS A 67 -12.121 -49.569 -3.635 1.00 0.00 C ATOM 912 O HIS A 67 -11.562 -50.512 -4.232 1.00 0.00 O ATOM 913 CB HIS A 67 -10.078 -49.116 -2.262 1.00 0.00 C ATOM 914 CG HIS A 67 -10.474 -49.705 -0.944 1.00 0.00 C ATOM 915 ND1 HIS A 67 -10.769 -51.042 -0.774 1.00 0.00 N ATOM 916 CD2 HIS A 67 -10.624 -49.132 0.274 1.00 0.00 C ATOM 917 CE1 HIS A 67 -11.085 -51.264 0.490 1.00 0.00 C ATOM 918 NE2 HIS A 67 -11.002 -50.122 1.146 1.00 0.00 N ATOM 919 OXT HIS A 67 -13.359 -49.469 -3.511 1.00 0.00 O ATOM 0 H HIS A 67 -12.886 -48.047 -1.793 1.00 0.00 H new ATOM 0 HA HIS A 67 -10.849 -47.863 -3.829 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -9.633 -49.896 -2.880 1.00 0.00 H new ATOM 0 HB3 HIS A 67 -9.309 -48.362 -2.097 1.00 0.00 H new ATOM 0 HD2 HIS A 67 -10.474 -48.090 0.514 1.00 0.00 H new ATOM 0 HE1 HIS A 67 -11.364 -52.218 0.914 1.00 0.00 H new ATOM 0 HE2 HIS A 67 -11.189 -49.996 2.141 1.00 0.00 H new TER 928 HIS A 67