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 Set 1.1: A 12 SER OG : rot 67:sc= 0.0573 USER MOD Set 1.2: A 43 GLN : amide:sc= 0.0544 X(o=0.11,f=0) USER MOD Single : A 1 VAL N :NH3+ 173:sc= -0.288 (180deg=-0.44) USER MOD Single : A 5 ASN : amide:sc= -0.33 K(o=-0.33,f=-3.2!) USER MOD Single : A 7 SER OG : rot -50:sc= -0.736 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 11 SER OG : rot 180:sc= 0.00294 USER MOD Single : A 14 THR OG1 : rot 180:sc= -0.316 USER MOD Single : A 16 CYS SG : rot 180:sc= 0 USER MOD Single : A 17 GLN : amide:sc= 0 X(o=0,f=-0.061) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 26 CYS SG : rot 180:sc= -0.848 USER MOD Single : A 33 CYS SG : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 180:sc= -0.217 USER MOD Single : A 37 HIS : no HD1:sc= -0.371 X(o=-0.37,f=-0.15) USER MOD Single : A 38 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 39 HIS : no HD1:sc= 0 X(o=0,f=-0.13) USER MOD Single : A 40 CYS SG : rot 180:sc= 0 USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 THR OG1 : rot 78:sc= 0.0716 USER MOD Single : A 52 GLN : amide:sc=-0.00129 X(o=-0.0013,f=-0.038) USER MOD Single : A 54 GLN : amide:sc= -2.25! K(o=-2.3!,f=-0.21) 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=-0.017) USER MOD Single : A 63 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 64 HIS : no HD1:sc= 0 X(o=0,f=-0.17) USER MOD Single : A 65 HIS : no HD1:sc= -0.0549 X(o=-0.055,f=0) USER MOD Single : A 66 HIS : no HD1:sc= -0.528 X(o=-0.53,f=-0.77) USER MOD Single : A 67 HIS : no HD1:sc= -0.243 X(o=-0.24,f=-0.095) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 20.564 -7.023 -2.462 1.00 0.00 N ATOM 2 CA VAL A 1 20.499 -5.677 -3.085 1.00 0.00 C ATOM 3 C VAL A 1 20.266 -4.592 -2.030 1.00 0.00 C ATOM 4 O VAL A 1 19.243 -4.593 -1.344 1.00 0.00 O ATOM 5 CB VAL A 1 19.381 -5.607 -4.155 1.00 0.00 C ATOM 6 CG1 VAL A 1 18.294 -6.630 -3.864 1.00 0.00 C ATOM 7 CG2 VAL A 1 18.792 -4.205 -4.247 1.00 0.00 C ATOM 0 H1 VAL A 1 20.603 -7.748 -3.206 1.00 0.00 H new ATOM 0 H2 VAL A 1 21.415 -7.090 -1.868 1.00 0.00 H new ATOM 0 H3 VAL A 1 19.719 -7.175 -1.875 1.00 0.00 H new ATOM 0 HA VAL A 1 21.460 -5.500 -3.569 1.00 0.00 H new ATOM 0 HB VAL A 1 19.827 -5.845 -5.121 1.00 0.00 H new ATOM 0 HG11 VAL A 1 17.519 -6.564 -4.627 1.00 0.00 H new ATOM 0 HG12 VAL A 1 18.725 -7.631 -3.870 1.00 0.00 H new ATOM 0 HG13 VAL A 1 17.858 -6.429 -2.885 1.00 0.00 H new ATOM 0 HG21 VAL A 1 18.010 -4.188 -5.006 1.00 0.00 H new ATOM 0 HG22 VAL A 1 18.368 -3.925 -3.283 1.00 0.00 H new ATOM 0 HG23 VAL A 1 19.576 -3.498 -4.518 1.00 0.00 H new ATOM 17 N PRO A 2 21.215 -3.647 -1.889 1.00 0.00 N ATOM 18 CA PRO A 2 21.106 -2.557 -0.923 1.00 0.00 C ATOM 19 C PRO A 2 20.318 -1.375 -1.483 1.00 0.00 C ATOM 20 O PRO A 2 19.346 -1.562 -2.216 1.00 0.00 O ATOM 21 CB PRO A 2 22.566 -2.177 -0.693 1.00 0.00 C ATOM 22 CG PRO A 2 23.233 -2.440 -2.002 1.00 0.00 C ATOM 23 CD PRO A 2 22.470 -3.564 -2.663 1.00 0.00 C ATOM 0 HA PRO A 2 20.573 -2.843 -0.016 1.00 0.00 H new ATOM 0 HB2 PRO A 2 22.662 -1.131 -0.402 1.00 0.00 H new ATOM 0 HB3 PRO A 2 23.010 -2.772 0.105 1.00 0.00 H new ATOM 0 HG2 PRO A 2 23.224 -1.547 -2.627 1.00 0.00 H new ATOM 0 HG3 PRO A 2 24.277 -2.716 -1.855 1.00 0.00 H new ATOM 0 HD2 PRO A 2 22.277 -3.351 -3.715 1.00 0.00 H new ATOM 0 HD3 PRO A 2 23.026 -4.501 -2.624 1.00 0.00 H new ATOM 31 N CYS A 3 20.744 -0.161 -1.142 1.00 0.00 N ATOM 32 CA CYS A 3 20.078 1.049 -1.618 1.00 0.00 C ATOM 33 C CYS A 3 20.831 2.297 -1.167 1.00 0.00 C ATOM 34 O CYS A 3 20.226 3.330 -0.880 1.00 0.00 O ATOM 35 CB CYS A 3 18.632 1.101 -1.119 1.00 0.00 C ATOM 36 SG CYS A 3 17.386 0.952 -2.441 1.00 0.00 S ATOM 0 H CYS A 3 21.548 0.011 -0.538 1.00 0.00 H new ATOM 0 HA CYS A 3 20.073 1.022 -2.708 1.00 0.00 H new ATOM 0 HB2 CYS A 3 18.479 0.299 -0.397 1.00 0.00 H new ATOM 0 HB3 CYS A 3 18.475 2.041 -0.590 1.00 0.00 H new ATOM 41 N ASP A 4 22.155 2.193 -1.110 1.00 0.00 N ATOM 42 CA ASP A 4 22.996 3.312 -0.697 1.00 0.00 C ATOM 43 C ASP A 4 23.071 4.370 -1.792 1.00 0.00 C ATOM 44 O ASP A 4 23.184 5.563 -1.511 1.00 0.00 O ATOM 45 CB ASP A 4 24.402 2.819 -0.353 1.00 0.00 C ATOM 46 CG ASP A 4 24.551 2.475 1.116 1.00 0.00 C ATOM 47 OD1 ASP A 4 24.034 3.238 1.959 1.00 0.00 O ATOM 48 OD2 ASP A 4 25.183 1.443 1.423 1.00 0.00 O ATOM 0 H ASP A 4 22.670 1.344 -1.345 1.00 0.00 H new ATOM 0 HA ASP A 4 22.548 3.763 0.189 1.00 0.00 H new ATOM 0 HB2 ASP A 4 24.633 1.940 -0.954 1.00 0.00 H new ATOM 0 HB3 ASP A 4 25.128 3.587 -0.619 1.00 0.00 H new ATOM 53 N ASN A 5 23.009 3.921 -3.041 1.00 0.00 N ATOM 54 CA ASN A 5 23.069 4.824 -4.185 1.00 0.00 C ATOM 55 C ASN A 5 22.473 4.164 -5.425 1.00 0.00 C ATOM 56 O ASN A 5 21.520 4.676 -6.015 1.00 0.00 O ATOM 57 CB ASN A 5 24.515 5.240 -4.456 1.00 0.00 C ATOM 58 CG ASN A 5 24.808 6.651 -3.982 1.00 0.00 C ATOM 59 OD1 ASN A 5 23.906 7.380 -3.569 1.00 0.00 O ATOM 60 ND2 ASN A 5 26.077 7.043 -4.037 1.00 0.00 N ATOM 0 H ASN A 5 22.917 2.935 -3.287 1.00 0.00 H new ATOM 0 HA ASN A 5 22.483 5.713 -3.951 1.00 0.00 H new ATOM 0 HB2 ASN A 5 25.190 4.544 -3.958 1.00 0.00 H new ATOM 0 HB3 ASN A 5 24.717 5.169 -5.525 1.00 0.00 H new ATOM 0 HD21 ASN A 5 26.335 7.981 -3.730 1.00 0.00 H new ATOM 0 HD22 ASN A 5 26.793 6.406 -4.386 1.00 0.00 H new ATOM 67 N VAL A 6 23.036 3.024 -5.808 1.00 0.00 N ATOM 68 CA VAL A 6 22.559 2.287 -6.972 1.00 0.00 C ATOM 69 C VAL A 6 22.484 0.792 -6.674 1.00 0.00 C ATOM 70 O VAL A 6 23.497 0.147 -6.404 1.00 0.00 O ATOM 71 CB VAL A 6 23.461 2.523 -8.203 1.00 0.00 C ATOM 72 CG1 VAL A 6 24.923 2.292 -7.853 1.00 0.00 C ATOM 73 CG2 VAL A 6 23.036 1.632 -9.362 1.00 0.00 C ATOM 0 H VAL A 6 23.825 2.589 -5.329 1.00 0.00 H new ATOM 0 HA VAL A 6 21.560 2.659 -7.200 1.00 0.00 H new ATOM 0 HB VAL A 6 23.347 3.562 -8.513 1.00 0.00 H new ATOM 0 HG11 VAL A 6 25.540 2.464 -8.735 1.00 0.00 H new ATOM 0 HG12 VAL A 6 25.221 2.980 -7.062 1.00 0.00 H new ATOM 0 HG13 VAL A 6 25.057 1.266 -7.511 1.00 0.00 H new ATOM 0 HG21 VAL A 6 23.685 1.815 -10.218 1.00 0.00 H new ATOM 0 HG22 VAL A 6 23.114 0.586 -9.065 1.00 0.00 H new ATOM 0 HG23 VAL A 6 22.005 1.856 -9.634 1.00 0.00 H new ATOM 83 N SER A 7 21.272 0.250 -6.721 1.00 0.00 N ATOM 84 CA SER A 7 21.055 -1.166 -6.453 1.00 0.00 C ATOM 85 C SER A 7 20.045 -1.750 -7.433 1.00 0.00 C ATOM 86 O SER A 7 19.605 -1.068 -8.359 1.00 0.00 O ATOM 87 CB SER A 7 20.566 -1.362 -5.019 1.00 0.00 C ATOM 88 OG SER A 7 21.199 -0.451 -4.137 1.00 0.00 O ATOM 0 H SER A 7 20.424 0.771 -6.943 1.00 0.00 H new ATOM 0 HA SER A 7 22.003 -1.689 -6.580 1.00 0.00 H new ATOM 0 HB2 SER A 7 19.486 -1.223 -4.977 1.00 0.00 H new ATOM 0 HB3 SER A 7 20.768 -2.384 -4.699 1.00 0.00 H new ATOM 0 HG SER A 7 22.169 -0.482 -4.275 1.00 0.00 H new ATOM 94 N SER A 8 19.679 -3.013 -7.230 1.00 0.00 N ATOM 95 CA SER A 8 18.718 -3.669 -8.109 1.00 0.00 C ATOM 96 C SER A 8 17.819 -4.632 -7.338 1.00 0.00 C ATOM 97 O SER A 8 18.072 -5.838 -7.297 1.00 0.00 O ATOM 98 CB SER A 8 19.449 -4.420 -9.223 1.00 0.00 C ATOM 99 OG SER A 8 18.900 -4.109 -10.491 1.00 0.00 O ATOM 0 H SER A 8 20.030 -3.597 -6.471 1.00 0.00 H new ATOM 0 HA SER A 8 18.087 -2.895 -8.546 1.00 0.00 H new ATOM 0 HB2 SER A 8 20.507 -4.160 -9.208 1.00 0.00 H new ATOM 0 HB3 SER A 8 19.382 -5.494 -9.047 1.00 0.00 H new ATOM 0 HG SER A 8 19.385 -4.600 -11.187 1.00 0.00 H new ATOM 105 N CYS A 9 16.758 -4.093 -6.746 1.00 0.00 N ATOM 106 CA CYS A 9 15.804 -4.900 -5.994 1.00 0.00 C ATOM 107 C CYS A 9 14.676 -5.362 -6.917 1.00 0.00 C ATOM 108 O CYS A 9 14.502 -4.814 -8.006 1.00 0.00 O ATOM 109 CB CYS A 9 15.233 -4.097 -4.819 1.00 0.00 C ATOM 110 SG CYS A 9 15.615 -4.804 -3.182 1.00 0.00 S ATOM 0 H CYS A 9 16.537 -3.098 -6.773 1.00 0.00 H new ATOM 0 HA CYS A 9 16.319 -5.774 -5.596 1.00 0.00 H new ATOM 0 HB2 CYS A 9 15.623 -3.080 -4.864 1.00 0.00 H new ATOM 0 HB3 CYS A 9 14.151 -4.029 -4.930 1.00 0.00 H new ATOM 115 N PRO A 10 13.895 -6.382 -6.512 1.00 0.00 N ATOM 116 CA PRO A 10 12.801 -6.898 -7.333 1.00 0.00 C ATOM 117 C PRO A 10 11.524 -6.080 -7.180 1.00 0.00 C ATOM 118 O PRO A 10 11.275 -5.488 -6.130 1.00 0.00 O ATOM 119 CB PRO A 10 12.604 -8.306 -6.782 1.00 0.00 C ATOM 120 CG PRO A 10 12.962 -8.194 -5.339 1.00 0.00 C ATOM 121 CD PRO A 10 14.023 -7.125 -5.241 1.00 0.00 C ATOM 0 HA PRO A 10 13.029 -6.863 -8.398 1.00 0.00 H new ATOM 0 HB2 PRO A 10 11.575 -8.643 -6.911 1.00 0.00 H new ATOM 0 HB3 PRO A 10 13.242 -9.026 -7.295 1.00 0.00 H new ATOM 0 HG2 PRO A 10 12.089 -7.930 -4.742 1.00 0.00 H new ATOM 0 HG3 PRO A 10 13.333 -9.145 -4.957 1.00 0.00 H new ATOM 0 HD2 PRO A 10 13.859 -6.476 -4.380 1.00 0.00 H new ATOM 0 HD3 PRO A 10 15.017 -7.558 -5.129 1.00 0.00 H new ATOM 129 N SER A 11 10.721 -6.048 -8.242 1.00 0.00 N ATOM 130 CA SER A 11 9.467 -5.300 -8.238 1.00 0.00 C ATOM 131 C SER A 11 8.569 -5.742 -7.089 1.00 0.00 C ATOM 132 O SER A 11 8.831 -6.750 -6.434 1.00 0.00 O ATOM 133 CB SER A 11 8.735 -5.484 -9.568 1.00 0.00 C ATOM 134 OG SER A 11 8.736 -6.843 -9.969 1.00 0.00 O ATOM 0 H SER A 11 10.918 -6.533 -9.118 1.00 0.00 H new ATOM 0 HA SER A 11 9.706 -4.245 -8.103 1.00 0.00 H new ATOM 0 HB2 SER A 11 7.708 -5.131 -9.473 1.00 0.00 H new ATOM 0 HB3 SER A 11 9.212 -4.875 -10.336 1.00 0.00 H new ATOM 0 HG SER A 11 8.260 -6.933 -10.821 1.00 0.00 H new ATOM 140 N SER A 12 7.508 -4.975 -6.852 1.00 0.00 N ATOM 141 CA SER A 12 6.565 -5.278 -5.782 1.00 0.00 C ATOM 142 C SER A 12 7.275 -5.344 -4.434 1.00 0.00 C ATOM 143 O SER A 12 6.920 -6.149 -3.573 1.00 0.00 O ATOM 144 CB SER A 12 5.848 -6.600 -6.064 1.00 0.00 C ATOM 145 OG SER A 12 4.500 -6.381 -6.441 1.00 0.00 O ATOM 0 H SER A 12 7.281 -4.138 -7.388 1.00 0.00 H new ATOM 0 HA SER A 12 5.827 -4.476 -5.743 1.00 0.00 H new ATOM 0 HB2 SER A 12 6.368 -7.137 -6.858 1.00 0.00 H new ATOM 0 HB3 SER A 12 5.882 -7.232 -5.177 1.00 0.00 H new ATOM 0 HG SER A 12 4.473 -5.928 -7.310 1.00 0.00 H new ATOM 151 N ASP A 13 8.279 -4.489 -4.259 1.00 0.00 N ATOM 152 CA ASP A 13 9.041 -4.444 -3.016 1.00 0.00 C ATOM 153 C ASP A 13 9.972 -3.236 -2.988 1.00 0.00 C ATOM 154 O ASP A 13 10.860 -3.105 -3.832 1.00 0.00 O ATOM 155 CB ASP A 13 9.854 -5.728 -2.841 1.00 0.00 C ATOM 156 CG ASP A 13 9.336 -6.594 -1.708 1.00 0.00 C ATOM 157 OD1 ASP A 13 8.234 -6.306 -1.195 1.00 0.00 O ATOM 158 OD2 ASP A 13 10.033 -7.560 -1.332 1.00 0.00 O ATOM 0 H ASP A 13 8.584 -3.817 -4.964 1.00 0.00 H new ATOM 0 HA ASP A 13 8.332 -4.354 -2.193 1.00 0.00 H new ATOM 0 HB2 ASP A 13 9.831 -6.298 -3.770 1.00 0.00 H new ATOM 0 HB3 ASP A 13 10.896 -5.471 -2.651 1.00 0.00 H new ATOM 163 N THR A 14 9.763 -2.359 -2.013 1.00 0.00 N ATOM 164 CA THR A 14 10.585 -1.161 -1.870 1.00 0.00 C ATOM 165 C THR A 14 11.779 -1.425 -0.960 1.00 0.00 C ATOM 166 O THR A 14 11.840 -2.451 -0.284 1.00 0.00 O ATOM 167 CB THR A 14 9.767 0.015 -1.304 1.00 0.00 C ATOM 168 OG1 THR A 14 10.611 1.157 -1.119 1.00 0.00 O ATOM 169 CG2 THR A 14 9.120 -0.364 0.020 1.00 0.00 C ATOM 0 H THR A 14 9.031 -2.454 -1.309 1.00 0.00 H new ATOM 0 HA THR A 14 10.942 -0.896 -2.865 1.00 0.00 H new ATOM 0 HB THR A 14 8.981 0.258 -2.019 1.00 0.00 H new ATOM 0 HG1 THR A 14 10.082 1.900 -0.761 1.00 0.00 H new ATOM 0 HG21 THR A 14 8.548 0.482 0.401 1.00 0.00 H new ATOM 0 HG22 THR A 14 8.455 -1.214 -0.130 1.00 0.00 H new ATOM 0 HG23 THR A 14 9.894 -0.632 0.740 1.00 0.00 H new ATOM 177 N CYS A 15 12.727 -0.492 -0.944 1.00 0.00 N ATOM 178 CA CYS A 15 13.918 -0.626 -0.113 1.00 0.00 C ATOM 179 C CYS A 15 13.940 0.438 0.981 1.00 0.00 C ATOM 180 O CYS A 15 13.652 1.609 0.729 1.00 0.00 O ATOM 181 CB CYS A 15 15.183 -0.528 -0.971 1.00 0.00 C ATOM 182 SG CYS A 15 15.617 1.170 -1.468 1.00 0.00 S ATOM 0 H CYS A 15 12.693 0.364 -1.497 1.00 0.00 H new ATOM 0 HA CYS A 15 13.891 -1.607 0.362 1.00 0.00 H new ATOM 0 HB2 CYS A 15 16.018 -0.958 -0.418 1.00 0.00 H new ATOM 0 HB3 CYS A 15 15.049 -1.134 -1.867 1.00 0.00 H new ATOM 187 N CYS A 16 14.278 0.021 2.198 1.00 0.00 N ATOM 188 CA CYS A 16 14.332 0.935 3.333 1.00 0.00 C ATOM 189 C CYS A 16 15.590 0.704 4.166 1.00 0.00 C ATOM 190 O CYS A 16 16.301 -0.286 3.978 1.00 0.00 O ATOM 191 CB CYS A 16 13.091 0.764 4.209 1.00 0.00 C ATOM 192 SG CYS A 16 11.893 2.111 4.065 1.00 0.00 S ATOM 0 H CYS A 16 14.519 -0.944 2.423 1.00 0.00 H new ATOM 0 HA CYS A 16 14.360 1.953 2.944 1.00 0.00 H new ATOM 0 HB2 CYS A 16 12.601 -0.173 3.946 1.00 0.00 H new ATOM 0 HB3 CYS A 16 13.403 0.680 5.250 1.00 0.00 H new ATOM 0 HG CYS A 16 10.878 1.874 4.842 1.00 0.00 H new ATOM 198 N GLN A 17 15.857 1.626 5.087 1.00 0.00 N ATOM 199 CA GLN A 17 17.027 1.531 5.953 1.00 0.00 C ATOM 200 C GLN A 17 16.673 0.861 7.277 1.00 0.00 C ATOM 201 O GLN A 17 15.521 0.884 7.709 1.00 0.00 O ATOM 202 CB GLN A 17 17.606 2.924 6.213 1.00 0.00 C ATOM 203 CG GLN A 17 18.920 2.908 6.977 1.00 0.00 C ATOM 204 CD GLN A 17 19.184 4.210 7.708 1.00 0.00 C ATOM 205 OE1 GLN A 17 18.390 4.636 8.546 1.00 0.00 O ATOM 206 NE2 GLN A 17 20.304 4.849 7.393 1.00 0.00 N ATOM 0 H GLN A 17 15.277 2.449 5.252 1.00 0.00 H new ATOM 0 HA GLN A 17 17.775 0.920 5.447 1.00 0.00 H new ATOM 0 HB2 GLN A 17 17.757 3.429 5.259 1.00 0.00 H new ATOM 0 HB3 GLN A 17 16.878 3.512 6.772 1.00 0.00 H new ATOM 0 HG2 GLN A 17 18.909 2.088 7.695 1.00 0.00 H new ATOM 0 HG3 GLN A 17 19.737 2.713 6.283 1.00 0.00 H new ATOM 0 HE21 GLN A 17 20.934 4.459 6.692 1.00 0.00 H new ATOM 0 HE22 GLN A 17 20.535 5.730 7.852 1.00 0.00 H new ATOM 215 N LEU A 18 17.676 0.270 7.920 1.00 0.00 N ATOM 216 CA LEU A 18 17.475 -0.403 9.197 1.00 0.00 C ATOM 217 C LEU A 18 18.002 0.451 10.346 1.00 0.00 C ATOM 218 O LEU A 18 18.294 1.634 10.169 1.00 0.00 O ATOM 219 CB LEU A 18 18.169 -1.766 9.196 1.00 0.00 C ATOM 220 CG LEU A 18 17.378 -2.893 8.532 1.00 0.00 C ATOM 221 CD1 LEU A 18 18.319 -3.895 7.882 1.00 0.00 C ATOM 222 CD2 LEU A 18 16.481 -3.583 9.550 1.00 0.00 C ATOM 0 H LEU A 18 18.636 0.244 7.577 1.00 0.00 H new ATOM 0 HA LEU A 18 16.405 -0.552 9.338 1.00 0.00 H new ATOM 0 HB2 LEU A 18 19.129 -1.668 8.688 1.00 0.00 H new ATOM 0 HB3 LEU A 18 18.381 -2.050 10.227 1.00 0.00 H new ATOM 0 HG LEU A 18 16.748 -2.461 7.754 1.00 0.00 H new ATOM 0 HD11 LEU A 18 17.738 -4.690 7.415 1.00 0.00 H new ATOM 0 HD12 LEU A 18 18.920 -3.392 7.125 1.00 0.00 H new ATOM 0 HD13 LEU A 18 18.975 -4.323 8.640 1.00 0.00 H new ATOM 0 HD21 LEU A 18 15.925 -4.383 9.062 1.00 0.00 H new ATOM 0 HD22 LEU A 18 17.093 -4.002 10.349 1.00 0.00 H new ATOM 0 HD23 LEU A 18 15.783 -2.859 9.969 1.00 0.00 H new ATOM 234 N THR A 19 18.121 -0.155 11.522 1.00 0.00 N ATOM 235 CA THR A 19 18.612 0.552 12.700 1.00 0.00 C ATOM 236 C THR A 19 20.062 0.183 12.995 1.00 0.00 C ATOM 237 O THR A 19 20.704 0.785 13.856 1.00 0.00 O ATOM 238 CB THR A 19 17.754 0.242 13.941 1.00 0.00 C ATOM 239 OG1 THR A 19 18.124 -1.028 14.491 1.00 0.00 O ATOM 240 CG2 THR A 19 16.273 0.232 13.586 1.00 0.00 C ATOM 0 H THR A 19 17.884 -1.134 11.685 1.00 0.00 H new ATOM 0 HA THR A 19 18.546 1.618 12.480 1.00 0.00 H new ATOM 0 HB THR A 19 17.931 1.023 14.680 1.00 0.00 H new ATOM 0 HG1 THR A 19 17.574 -1.215 15.280 1.00 0.00 H new ATOM 0 HG21 THR A 19 15.687 0.011 14.478 1.00 0.00 H new ATOM 0 HG22 THR A 19 15.986 1.208 13.196 1.00 0.00 H new ATOM 0 HG23 THR A 19 16.085 -0.530 12.830 1.00 0.00 H new ATOM 248 N SER A 20 20.572 -0.813 12.276 1.00 0.00 N ATOM 249 CA SER A 20 21.947 -1.266 12.461 1.00 0.00 C ATOM 250 C SER A 20 22.889 -0.571 11.482 1.00 0.00 C ATOM 251 O SER A 20 24.055 -0.946 11.357 1.00 0.00 O ATOM 252 CB SER A 20 22.034 -2.782 12.279 1.00 0.00 C ATOM 253 OG SER A 20 21.286 -3.460 13.274 1.00 0.00 O ATOM 0 H SER A 20 20.054 -1.322 11.560 1.00 0.00 H new ATOM 0 HA SER A 20 22.253 -1.008 13.475 1.00 0.00 H new ATOM 0 HB2 SER A 20 21.662 -3.055 11.291 1.00 0.00 H new ATOM 0 HB3 SER A 20 23.076 -3.098 12.325 1.00 0.00 H new ATOM 0 HG SER A 20 21.357 -4.427 13.134 1.00 0.00 H new ATOM 259 N GLY A 21 22.377 0.444 10.792 1.00 0.00 N ATOM 260 CA GLY A 21 23.188 1.174 9.834 1.00 0.00 C ATOM 261 C GLY A 21 23.352 0.428 8.524 1.00 0.00 C ATOM 262 O GLY A 21 24.384 0.542 7.862 1.00 0.00 O ATOM 0 H GLY A 21 21.416 0.774 10.879 1.00 0.00 H new ATOM 0 HA2 GLY A 21 22.731 2.145 9.641 1.00 0.00 H new ATOM 0 HA3 GLY A 21 24.171 1.365 10.265 1.00 0.00 H new ATOM 266 N GLU A 22 22.331 -0.337 8.148 1.00 0.00 N ATOM 267 CA GLU A 22 22.367 -1.104 6.909 1.00 0.00 C ATOM 268 C GLU A 22 21.162 -0.776 6.031 1.00 0.00 C ATOM 269 O GLU A 22 20.401 0.146 6.326 1.00 0.00 O ATOM 270 CB GLU A 22 22.398 -2.603 7.211 1.00 0.00 C ATOM 271 CG GLU A 22 23.476 -3.002 8.206 1.00 0.00 C ATOM 272 CD GLU A 22 23.044 -4.139 9.113 1.00 0.00 C ATOM 273 OE1 GLU A 22 21.903 -4.622 8.958 1.00 0.00 O ATOM 274 OE2 GLU A 22 23.848 -4.544 9.979 1.00 0.00 O ATOM 0 H GLU A 22 21.469 -0.442 8.684 1.00 0.00 H new ATOM 0 HA GLU A 22 23.274 -0.831 6.369 1.00 0.00 H new ATOM 0 HB2 GLU A 22 21.426 -2.907 7.600 1.00 0.00 H new ATOM 0 HB3 GLU A 22 22.554 -3.149 6.281 1.00 0.00 H new ATOM 0 HG2 GLU A 22 24.374 -3.297 7.663 1.00 0.00 H new ATOM 0 HG3 GLU A 22 23.741 -2.137 8.815 1.00 0.00 H new ATOM 281 N TRP A 23 20.995 -1.538 4.955 1.00 0.00 N ATOM 282 CA TRP A 23 19.883 -1.330 4.034 1.00 0.00 C ATOM 283 C TRP A 23 19.297 -2.664 3.584 1.00 0.00 C ATOM 284 O TRP A 23 20.018 -3.652 3.440 1.00 0.00 O ATOM 285 CB TRP A 23 20.344 -0.526 2.817 1.00 0.00 C ATOM 286 CG TRP A 23 20.359 0.953 3.052 1.00 0.00 C ATOM 287 CD1 TRP A 23 21.375 1.689 3.591 1.00 0.00 C ATOM 288 CD2 TRP A 23 19.307 1.879 2.757 1.00 0.00 C ATOM 289 NE1 TRP A 23 21.020 3.014 3.649 1.00 0.00 N ATOM 290 CE2 TRP A 23 19.754 3.158 3.142 1.00 0.00 C ATOM 291 CE3 TRP A 23 18.030 1.751 2.203 1.00 0.00 C ATOM 292 CZ2 TRP A 23 18.970 4.297 2.991 1.00 0.00 C ATOM 293 CZ3 TRP A 23 17.252 2.884 2.053 1.00 0.00 C ATOM 294 CH2 TRP A 23 17.724 4.142 2.445 1.00 0.00 C ATOM 0 H TRP A 23 21.616 -2.306 4.699 1.00 0.00 H new ATOM 0 HA TRP A 23 19.109 -0.769 4.558 1.00 0.00 H new ATOM 0 HB2 TRP A 23 21.345 -0.852 2.534 1.00 0.00 H new ATOM 0 HB3 TRP A 23 19.687 -0.746 1.975 1.00 0.00 H new ATOM 0 HD1 TRP A 23 22.321 1.287 3.923 1.00 0.00 H new ATOM 0 HE1 TRP A 23 21.603 3.769 4.010 1.00 0.00 H new ATOM 0 HE3 TRP A 23 17.658 0.784 1.898 1.00 0.00 H new ATOM 0 HZ2 TRP A 23 19.331 5.269 3.294 1.00 0.00 H new ATOM 0 HZ3 TRP A 23 16.264 2.797 1.626 1.00 0.00 H new ATOM 0 HH2 TRP A 23 17.092 5.008 2.314 1.00 0.00 H new ATOM 305 N GLY A 24 17.985 -2.687 3.363 1.00 0.00 N ATOM 306 CA GLY A 24 17.328 -3.907 2.931 1.00 0.00 C ATOM 307 C GLY A 24 15.979 -3.646 2.294 1.00 0.00 C ATOM 308 O GLY A 24 15.359 -2.612 2.542 1.00 0.00 O ATOM 0 H GLY A 24 17.367 -1.884 3.475 1.00 0.00 H new ATOM 0 HA2 GLY A 24 17.968 -4.427 2.218 1.00 0.00 H new ATOM 0 HA3 GLY A 24 17.200 -4.569 3.787 1.00 0.00 H new ATOM 312 N CYS A 25 15.521 -4.584 1.470 1.00 0.00 N ATOM 313 CA CYS A 25 14.235 -4.449 0.797 1.00 0.00 C ATOM 314 C CYS A 25 13.099 -4.935 1.691 1.00 0.00 C ATOM 315 O CYS A 25 13.100 -6.081 2.143 1.00 0.00 O ATOM 316 CB CYS A 25 14.237 -5.235 -0.516 1.00 0.00 C ATOM 317 SG CYS A 25 14.074 -4.200 -2.008 1.00 0.00 S ATOM 0 H CYS A 25 16.022 -5.446 1.253 1.00 0.00 H new ATOM 0 HA CYS A 25 14.077 -3.393 0.580 1.00 0.00 H new ATOM 0 HB2 CYS A 25 15.163 -5.806 -0.583 1.00 0.00 H new ATOM 0 HB3 CYS A 25 13.419 -5.955 -0.496 1.00 0.00 H new ATOM 322 N CYS A 26 12.133 -4.058 1.942 1.00 0.00 N ATOM 323 CA CYS A 26 10.990 -4.397 2.782 1.00 0.00 C ATOM 324 C CYS A 26 9.911 -5.103 1.963 1.00 0.00 C ATOM 325 O CYS A 26 9.769 -4.854 0.766 1.00 0.00 O ATOM 326 CB CYS A 26 10.414 -3.136 3.426 1.00 0.00 C ATOM 327 SG CYS A 26 11.440 -2.447 4.746 1.00 0.00 S ATOM 0 H CYS A 26 12.119 -3.106 1.575 1.00 0.00 H new ATOM 0 HA CYS A 26 11.330 -5.073 3.567 1.00 0.00 H new ATOM 0 HB2 CYS A 26 10.275 -2.378 2.655 1.00 0.00 H new ATOM 0 HB3 CYS A 26 9.427 -3.365 3.829 1.00 0.00 H new ATOM 0 HG CYS A 26 10.871 -1.382 5.227 1.00 0.00 H new ATOM 333 N PRO A 27 9.137 -6.004 2.596 1.00 0.00 N ATOM 334 CA PRO A 27 8.078 -6.751 1.918 1.00 0.00 C ATOM 335 C PRO A 27 6.762 -5.981 1.851 1.00 0.00 C ATOM 336 O PRO A 27 5.697 -6.573 1.667 1.00 0.00 O ATOM 337 CB PRO A 27 7.931 -7.985 2.802 1.00 0.00 C ATOM 338 CG PRO A 27 8.235 -7.495 4.178 1.00 0.00 C ATOM 339 CD PRO A 27 9.239 -6.376 4.023 1.00 0.00 C ATOM 0 HA PRO A 27 8.322 -6.966 0.878 1.00 0.00 H new ATOM 0 HB2 PRO A 27 6.925 -8.400 2.741 1.00 0.00 H new ATOM 0 HB3 PRO A 27 8.620 -8.774 2.500 1.00 0.00 H new ATOM 0 HG2 PRO A 27 7.331 -7.139 4.672 1.00 0.00 H new ATOM 0 HG3 PRO A 27 8.640 -8.297 4.795 1.00 0.00 H new ATOM 0 HD2 PRO A 27 9.003 -5.534 4.674 1.00 0.00 H new ATOM 0 HD3 PRO A 27 10.246 -6.704 4.280 1.00 0.00 H new ATOM 347 N ILE A 28 6.837 -4.663 2.001 1.00 0.00 N ATOM 348 CA ILE A 28 5.643 -3.823 1.957 1.00 0.00 C ATOM 349 C ILE A 28 5.736 -2.780 0.845 1.00 0.00 C ATOM 350 O ILE A 28 6.031 -1.612 1.102 1.00 0.00 O ATOM 351 CB ILE A 28 5.394 -3.103 3.300 1.00 0.00 C ATOM 352 CG1 ILE A 28 6.462 -3.475 4.330 1.00 0.00 C ATOM 353 CG2 ILE A 28 4.006 -3.438 3.829 1.00 0.00 C ATOM 354 CD1 ILE A 28 7.354 -2.316 4.718 1.00 0.00 C ATOM 0 H ILE A 28 7.708 -4.154 2.154 1.00 0.00 H new ATOM 0 HA ILE A 28 4.807 -4.493 1.756 1.00 0.00 H new ATOM 0 HB ILE A 28 5.454 -2.029 3.126 1.00 0.00 H new ATOM 0 HG12 ILE A 28 5.974 -3.863 5.224 1.00 0.00 H new ATOM 0 HG13 ILE A 28 7.078 -4.279 3.929 1.00 0.00 H new ATOM 0 HG21 ILE A 28 3.844 -2.924 4.776 1.00 0.00 H new ATOM 0 HG22 ILE A 28 3.254 -3.116 3.108 1.00 0.00 H new ATOM 0 HG23 ILE A 28 3.925 -4.514 3.982 1.00 0.00 H new ATOM 0 HD11 ILE A 28 8.088 -2.651 5.451 1.00 0.00 H new ATOM 0 HD12 ILE A 28 7.870 -1.942 3.834 1.00 0.00 H new ATOM 0 HD13 ILE A 28 6.748 -1.519 5.149 1.00 0.00 H new ATOM 366 N PRO A 29 5.476 -3.186 -0.411 1.00 0.00 N ATOM 367 CA PRO A 29 5.523 -2.279 -1.563 1.00 0.00 C ATOM 368 C PRO A 29 4.367 -1.290 -1.558 1.00 0.00 C ATOM 369 O PRO A 29 3.978 -0.774 -0.510 1.00 0.00 O ATOM 370 CB PRO A 29 5.416 -3.226 -2.760 1.00 0.00 C ATOM 371 CG PRO A 29 4.667 -4.398 -2.239 1.00 0.00 C ATOM 372 CD PRO A 29 5.109 -4.560 -0.813 1.00 0.00 C ATOM 0 HA PRO A 29 6.424 -1.665 -1.570 1.00 0.00 H new ATOM 0 HB2 PRO A 29 4.891 -2.757 -3.592 1.00 0.00 H new ATOM 0 HB3 PRO A 29 6.401 -3.515 -3.127 1.00 0.00 H new ATOM 0 HG2 PRO A 29 3.591 -4.234 -2.299 1.00 0.00 H new ATOM 0 HG3 PRO A 29 4.886 -5.293 -2.821 1.00 0.00 H new ATOM 0 HD2 PRO A 29 4.312 -4.962 -0.188 1.00 0.00 H new ATOM 0 HD3 PRO A 29 5.955 -5.243 -0.729 1.00 0.00 H new ATOM 380 N GLU A 30 3.829 -1.036 -2.740 1.00 0.00 N ATOM 381 CA GLU A 30 2.711 -0.110 -2.901 1.00 0.00 C ATOM 382 C GLU A 30 1.575 -0.447 -1.938 1.00 0.00 C ATOM 383 O GLU A 30 1.555 -1.522 -1.337 1.00 0.00 O ATOM 384 CB GLU A 30 2.199 -0.143 -4.342 1.00 0.00 C ATOM 385 CG GLU A 30 2.003 1.237 -4.949 1.00 0.00 C ATOM 386 CD GLU A 30 2.917 1.488 -6.132 1.00 0.00 C ATOM 387 OE1 GLU A 30 4.134 1.233 -6.007 1.00 0.00 O ATOM 388 OE2 GLU A 30 2.418 1.940 -7.184 1.00 0.00 O ATOM 0 H GLU A 30 4.149 -1.460 -3.611 1.00 0.00 H new ATOM 0 HA GLU A 30 3.070 0.893 -2.671 1.00 0.00 H new ATOM 0 HB2 GLU A 30 2.903 -0.704 -4.956 1.00 0.00 H new ATOM 0 HB3 GLU A 30 1.252 -0.681 -4.370 1.00 0.00 H new ATOM 0 HG2 GLU A 30 0.966 1.347 -5.266 1.00 0.00 H new ATOM 0 HG3 GLU A 30 2.185 1.995 -4.187 1.00 0.00 H new ATOM 395 N ALA A 31 0.635 0.484 -1.795 1.00 0.00 N ATOM 396 CA ALA A 31 -0.507 0.303 -0.903 1.00 0.00 C ATOM 397 C ALA A 31 -1.148 -1.071 -1.076 1.00 0.00 C ATOM 398 O ALA A 31 -1.103 -1.905 -0.171 1.00 0.00 O ATOM 399 CB ALA A 31 -1.536 1.398 -1.138 1.00 0.00 C ATOM 0 H ALA A 31 0.642 1.377 -2.289 1.00 0.00 H new ATOM 0 HA ALA A 31 -0.140 0.369 0.121 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -2.382 1.252 -0.467 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -1.083 2.370 -0.944 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -1.881 1.358 -2.171 1.00 0.00 H new ATOM 405 N VAL A 32 -1.750 -1.302 -2.239 1.00 0.00 N ATOM 406 CA VAL A 32 -2.405 -2.575 -2.517 1.00 0.00 C ATOM 407 C VAL A 32 -1.387 -3.673 -2.811 1.00 0.00 C ATOM 408 O VAL A 32 -0.467 -3.487 -3.608 1.00 0.00 O ATOM 409 CB VAL A 32 -3.381 -2.462 -3.705 1.00 0.00 C ATOM 410 CG1 VAL A 32 -4.204 -3.734 -3.840 1.00 0.00 C ATOM 411 CG2 VAL A 32 -4.286 -1.251 -3.538 1.00 0.00 C ATOM 0 H VAL A 32 -1.798 -0.626 -3.002 1.00 0.00 H new ATOM 0 HA VAL A 32 -2.966 -2.838 -1.620 1.00 0.00 H new ATOM 0 HB VAL A 32 -2.801 -2.331 -4.618 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -4.888 -3.637 -4.683 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -3.539 -4.581 -4.007 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -4.776 -3.896 -2.926 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -4.968 -1.187 -4.386 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -4.860 -1.350 -2.617 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -3.679 -0.347 -3.492 1.00 0.00 H new ATOM 421 N CYS A 33 -1.562 -4.821 -2.161 1.00 0.00 N ATOM 422 CA CYS A 33 -0.665 -5.956 -2.350 1.00 0.00 C ATOM 423 C CYS A 33 -1.454 -7.261 -2.417 1.00 0.00 C ATOM 424 O CYS A 33 -1.383 -7.987 -3.408 1.00 0.00 O ATOM 425 CB CYS A 33 0.359 -6.019 -1.214 1.00 0.00 C ATOM 426 SG CYS A 33 1.111 -7.649 -0.986 1.00 0.00 S ATOM 0 H CYS A 33 -2.319 -4.989 -1.498 1.00 0.00 H new ATOM 0 HA CYS A 33 -0.137 -5.821 -3.294 1.00 0.00 H new ATOM 0 HB2 CYS A 33 1.147 -5.291 -1.409 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -0.127 -5.722 -0.285 1.00 0.00 H new ATOM 0 HG CYS A 33 1.963 -7.600 -0.005 1.00 0.00 H new ATOM 432 N CYS A 34 -2.207 -7.545 -1.356 1.00 0.00 N ATOM 433 CA CYS A 34 -3.019 -8.758 -1.284 1.00 0.00 C ATOM 434 C CYS A 34 -2.159 -10.011 -1.421 1.00 0.00 C ATOM 435 O CYS A 34 -1.811 -10.421 -2.529 1.00 0.00 O ATOM 436 CB CYS A 34 -4.094 -8.744 -2.374 1.00 0.00 C ATOM 437 SG CYS A 34 -5.799 -8.854 -1.740 1.00 0.00 S ATOM 0 H CYS A 34 -2.272 -6.949 -0.531 1.00 0.00 H new ATOM 0 HA CYS A 34 -3.499 -8.779 -0.305 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -3.993 -7.829 -2.957 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -3.917 -9.577 -3.055 1.00 0.00 H new ATOM 442 N SER A 35 -1.827 -10.621 -0.286 1.00 0.00 N ATOM 443 CA SER A 35 -1.015 -11.832 -0.279 1.00 0.00 C ATOM 444 C SER A 35 -1.832 -13.030 -0.753 1.00 0.00 C ATOM 445 O SER A 35 -1.430 -13.742 -1.674 1.00 0.00 O ATOM 446 CB SER A 35 -0.465 -12.096 1.124 1.00 0.00 C ATOM 447 OG SER A 35 -1.515 -12.320 2.051 1.00 0.00 O ATOM 0 H SER A 35 -2.108 -10.296 0.639 1.00 0.00 H new ATOM 0 HA SER A 35 -0.180 -11.687 -0.964 1.00 0.00 H new ATOM 0 HB2 SER A 35 0.196 -12.963 1.102 1.00 0.00 H new ATOM 0 HB3 SER A 35 0.135 -11.246 1.448 1.00 0.00 H new ATOM 0 HG SER A 35 -1.137 -12.488 2.939 1.00 0.00 H new ATOM 453 N ASP A 36 -2.982 -13.240 -0.117 1.00 0.00 N ATOM 454 CA ASP A 36 -3.870 -14.346 -0.465 1.00 0.00 C ATOM 455 C ASP A 36 -3.132 -15.684 -0.419 1.00 0.00 C ATOM 456 O ASP A 36 -2.972 -16.276 0.649 1.00 0.00 O ATOM 457 CB ASP A 36 -4.481 -14.124 -1.852 1.00 0.00 C ATOM 458 CG ASP A 36 -4.660 -12.655 -2.180 1.00 0.00 C ATOM 459 OD1 ASP A 36 -5.260 -11.932 -1.357 1.00 0.00 O ATOM 460 OD2 ASP A 36 -4.202 -12.226 -3.259 1.00 0.00 O ATOM 0 H ASP A 36 -3.322 -12.655 0.646 1.00 0.00 H new ATOM 0 HA ASP A 36 -4.672 -14.377 0.273 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -3.842 -14.586 -2.605 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -5.448 -14.625 -1.904 1.00 0.00 H new ATOM 465 N HIS A 37 -2.683 -16.154 -1.580 1.00 0.00 N ATOM 466 CA HIS A 37 -1.963 -17.419 -1.668 1.00 0.00 C ATOM 467 C HIS A 37 -1.006 -17.411 -2.854 1.00 0.00 C ATOM 468 O HIS A 37 0.197 -17.617 -2.695 1.00 0.00 O ATOM 469 CB HIS A 37 -2.947 -18.584 -1.798 1.00 0.00 C ATOM 470 CG HIS A 37 -3.148 -19.347 -0.525 1.00 0.00 C ATOM 471 ND1 HIS A 37 -4.306 -20.041 -0.238 1.00 0.00 N ATOM 472 CD2 HIS A 37 -2.331 -19.529 0.541 1.00 0.00 C ATOM 473 CE1 HIS A 37 -4.193 -20.613 0.947 1.00 0.00 C ATOM 474 NE2 HIS A 37 -3.004 -20.318 1.439 1.00 0.00 N ATOM 0 H HIS A 37 -2.806 -15.677 -2.473 1.00 0.00 H new ATOM 0 HA HIS A 37 -1.384 -17.546 -0.754 1.00 0.00 H new ATOM 0 HB2 HIS A 37 -3.909 -18.199 -2.136 1.00 0.00 H new ATOM 0 HB3 HIS A 37 -2.588 -19.267 -2.568 1.00 0.00 H new ATOM 0 HD2 HIS A 37 -1.336 -19.128 0.661 1.00 0.00 H new ATOM 0 HE1 HIS A 37 -4.945 -21.219 1.431 1.00 0.00 H new ATOM 0 HE2 HIS A 37 -2.644 -20.627 2.342 1.00 0.00 H new ATOM 483 N GLN A 38 -1.552 -17.168 -4.041 1.00 0.00 N ATOM 484 CA GLN A 38 -0.750 -17.128 -5.258 1.00 0.00 C ATOM 485 C GLN A 38 -0.762 -15.728 -5.865 1.00 0.00 C ATOM 486 O GLN A 38 -1.182 -14.767 -5.221 1.00 0.00 O ATOM 487 CB GLN A 38 -1.271 -18.145 -6.275 1.00 0.00 C ATOM 488 CG GLN A 38 -2.782 -18.126 -6.439 1.00 0.00 C ATOM 489 CD GLN A 38 -3.393 -19.512 -6.376 1.00 0.00 C ATOM 490 OE1 GLN A 38 -4.068 -19.861 -5.407 1.00 0.00 O ATOM 491 NE2 GLN A 38 -3.158 -20.311 -7.410 1.00 0.00 N ATOM 0 H GLN A 38 -2.547 -16.996 -4.186 1.00 0.00 H new ATOM 0 HA GLN A 38 0.277 -17.385 -4.998 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -0.807 -17.949 -7.242 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -0.960 -19.144 -5.969 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -3.221 -17.504 -5.659 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -3.034 -17.665 -7.394 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -2.593 -19.980 -8.192 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -3.543 -21.256 -7.422 1.00 0.00 H new ATOM 500 N HIS A 39 -0.299 -15.620 -7.106 1.00 0.00 N ATOM 501 CA HIS A 39 -0.258 -14.336 -7.797 1.00 0.00 C ATOM 502 C HIS A 39 -0.682 -14.486 -9.254 1.00 0.00 C ATOM 503 O HIS A 39 -0.148 -15.321 -9.985 1.00 0.00 O ATOM 504 CB HIS A 39 1.148 -13.738 -7.724 1.00 0.00 C ATOM 505 CG HIS A 39 1.203 -12.293 -8.110 1.00 0.00 C ATOM 506 ND1 HIS A 39 1.755 -11.851 -9.296 1.00 0.00 N ATOM 507 CD2 HIS A 39 0.769 -11.185 -7.464 1.00 0.00 C ATOM 508 CE1 HIS A 39 1.658 -10.535 -9.361 1.00 0.00 C ATOM 509 NE2 HIS A 39 1.063 -10.107 -8.263 1.00 0.00 N ATOM 0 H HIS A 39 0.053 -16.405 -7.654 1.00 0.00 H new ATOM 0 HA HIS A 39 -0.959 -13.664 -7.301 1.00 0.00 H new ATOM 0 HB2 HIS A 39 1.529 -13.850 -6.709 1.00 0.00 H new ATOM 0 HB3 HIS A 39 1.810 -14.306 -8.378 1.00 0.00 H new ATOM 0 HD2 HIS A 39 0.282 -11.154 -6.500 1.00 0.00 H new ATOM 0 HE1 HIS A 39 2.006 -9.915 -10.174 1.00 0.00 H new ATOM 0 HE2 HIS A 39 0.855 -9.133 -8.043 1.00 0.00 H new ATOM 518 N CYS A 40 -1.643 -13.668 -9.672 1.00 0.00 N ATOM 519 CA CYS A 40 -2.138 -13.704 -11.043 1.00 0.00 C ATOM 520 C CYS A 40 -2.790 -12.377 -11.415 1.00 0.00 C ATOM 521 O CYS A 40 -3.368 -12.236 -12.494 1.00 0.00 O ATOM 522 CB CYS A 40 -3.139 -14.848 -11.220 1.00 0.00 C ATOM 523 SG CYS A 40 -4.726 -14.575 -10.397 1.00 0.00 S ATOM 0 H CYS A 40 -2.095 -12.971 -9.080 1.00 0.00 H new ATOM 0 HA CYS A 40 -1.290 -13.873 -11.707 1.00 0.00 H new ATOM 0 HB2 CYS A 40 -3.316 -15.000 -12.285 1.00 0.00 H new ATOM 0 HB3 CYS A 40 -2.696 -15.767 -10.836 1.00 0.00 H new ATOM 0 HG CYS A 40 -5.504 -15.595 -10.606 1.00 0.00 H new ATOM 529 N CYS A 41 -2.692 -11.407 -10.512 1.00 0.00 N ATOM 530 CA CYS A 41 -3.270 -10.088 -10.737 1.00 0.00 C ATOM 531 C CYS A 41 -2.189 -9.008 -10.694 1.00 0.00 C ATOM 532 O CYS A 41 -1.133 -9.204 -10.093 1.00 0.00 O ATOM 533 CB CYS A 41 -4.344 -9.797 -9.685 1.00 0.00 C ATOM 534 SG CYS A 41 -6.035 -9.695 -10.356 1.00 0.00 S ATOM 0 H CYS A 41 -2.216 -11.510 -9.616 1.00 0.00 H new ATOM 0 HA CYS A 41 -3.728 -10.078 -11.726 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -4.313 -10.577 -8.924 1.00 0.00 H new ATOM 0 HB3 CYS A 41 -4.105 -8.857 -9.188 1.00 0.00 H new ATOM 539 N PRO A 42 -2.437 -7.849 -11.334 1.00 0.00 N ATOM 540 CA PRO A 42 -1.478 -6.739 -11.365 1.00 0.00 C ATOM 541 C PRO A 42 -1.272 -6.116 -9.985 1.00 0.00 C ATOM 542 O PRO A 42 -1.333 -6.805 -8.968 1.00 0.00 O ATOM 543 CB PRO A 42 -2.120 -5.720 -12.320 1.00 0.00 C ATOM 544 CG PRO A 42 -3.206 -6.460 -13.026 1.00 0.00 C ATOM 545 CD PRO A 42 -3.665 -7.527 -12.077 1.00 0.00 C ATOM 0 HA PRO A 42 -0.490 -7.070 -11.685 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -2.519 -4.867 -11.772 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -1.388 -5.330 -13.027 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -4.026 -5.792 -13.288 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -2.840 -6.896 -13.956 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -4.455 -7.169 -11.417 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -4.059 -8.396 -12.604 1.00 0.00 H new ATOM 553 N GLN A 43 -1.029 -4.808 -9.959 1.00 0.00 N ATOM 554 CA GLN A 43 -0.820 -4.093 -8.705 1.00 0.00 C ATOM 555 C GLN A 43 -1.871 -3.004 -8.526 1.00 0.00 C ATOM 556 O GLN A 43 -2.430 -2.502 -9.502 1.00 0.00 O ATOM 557 CB GLN A 43 0.583 -3.483 -8.670 1.00 0.00 C ATOM 558 CG GLN A 43 1.650 -4.445 -8.173 1.00 0.00 C ATOM 559 CD GLN A 43 3.050 -4.020 -8.570 1.00 0.00 C ATOM 560 OE1 GLN A 43 3.802 -4.794 -9.162 1.00 0.00 O ATOM 561 NE2 GLN A 43 3.408 -2.783 -8.243 1.00 0.00 N ATOM 0 H GLN A 43 -0.972 -4.223 -10.792 1.00 0.00 H new ATOM 0 HA GLN A 43 -0.916 -4.804 -7.884 1.00 0.00 H new ATOM 0 HB2 GLN A 43 0.848 -3.144 -9.671 1.00 0.00 H new ATOM 0 HB3 GLN A 43 0.572 -2.602 -8.028 1.00 0.00 H new ATOM 0 HG2 GLN A 43 1.591 -4.518 -7.087 1.00 0.00 H new ATOM 0 HG3 GLN A 43 1.450 -5.440 -8.570 1.00 0.00 H new ATOM 0 HE21 GLN A 43 2.752 -2.175 -7.752 1.00 0.00 H new ATOM 0 HE22 GLN A 43 4.339 -2.441 -8.483 1.00 0.00 H new ATOM 570 N GLY A 44 -2.144 -2.645 -7.274 1.00 0.00 N ATOM 571 CA GLY A 44 -3.135 -1.621 -6.997 1.00 0.00 C ATOM 572 C GLY A 44 -4.524 -2.035 -7.441 1.00 0.00 C ATOM 573 O GLY A 44 -5.359 -1.190 -7.765 1.00 0.00 O ATOM 0 H GLY A 44 -1.697 -3.044 -6.449 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -3.145 -1.407 -5.928 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -2.853 -0.698 -7.504 1.00 0.00 H new ATOM 577 N TYR A 45 -4.767 -3.342 -7.461 1.00 0.00 N ATOM 578 CA TYR A 45 -6.059 -3.879 -7.878 1.00 0.00 C ATOM 579 C TYR A 45 -6.972 -4.128 -6.681 1.00 0.00 C ATOM 580 O TYR A 45 -6.636 -3.792 -5.547 1.00 0.00 O ATOM 581 CB TYR A 45 -5.863 -5.175 -8.669 1.00 0.00 C ATOM 582 CG TYR A 45 -5.278 -6.304 -7.854 1.00 0.00 C ATOM 583 CD1 TYR A 45 -3.934 -6.313 -7.501 1.00 0.00 C ATOM 584 CD2 TYR A 45 -6.072 -7.363 -7.437 1.00 0.00 C ATOM 585 CE1 TYR A 45 -3.399 -7.346 -6.755 1.00 0.00 C ATOM 586 CE2 TYR A 45 -5.544 -8.399 -6.690 1.00 0.00 C ATOM 587 CZ TYR A 45 -4.209 -8.386 -6.352 1.00 0.00 C ATOM 588 OH TYR A 45 -3.681 -9.417 -5.609 1.00 0.00 O ATOM 0 H TYR A 45 -4.084 -4.051 -7.193 1.00 0.00 H new ATOM 0 HA TYR A 45 -6.538 -3.137 -8.517 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -6.824 -5.492 -9.074 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -5.210 -4.976 -9.518 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -3.297 -5.499 -7.815 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -7.119 -7.378 -7.700 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -2.352 -7.338 -6.489 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -6.176 -9.215 -6.373 1.00 0.00 H new ATOM 0 HH TYR A 45 -4.385 -10.068 -5.406 1.00 0.00 H new ATOM 598 N THR A 46 -8.133 -4.719 -6.949 1.00 0.00 N ATOM 599 CA THR A 46 -9.105 -5.016 -5.903 1.00 0.00 C ATOM 600 C THR A 46 -9.282 -6.522 -5.732 1.00 0.00 C ATOM 601 O THR A 46 -9.356 -7.263 -6.712 1.00 0.00 O ATOM 602 CB THR A 46 -10.474 -4.381 -6.214 1.00 0.00 C ATOM 603 OG1 THR A 46 -10.291 -3.102 -6.833 1.00 0.00 O ATOM 604 CG2 THR A 46 -11.300 -4.222 -4.946 1.00 0.00 C ATOM 0 H THR A 46 -8.424 -5.002 -7.885 1.00 0.00 H new ATOM 0 HA THR A 46 -8.717 -4.590 -4.977 1.00 0.00 H new ATOM 0 HB THR A 46 -11.009 -5.042 -6.896 1.00 0.00 H new ATOM 0 HG1 THR A 46 -10.058 -3.226 -7.777 1.00 0.00 H new ATOM 0 HG21 THR A 46 -12.262 -3.772 -5.192 1.00 0.00 H new ATOM 0 HG22 THR A 46 -11.463 -5.200 -4.493 1.00 0.00 H new ATOM 0 HG23 THR A 46 -10.768 -3.580 -4.243 1.00 0.00 H new ATOM 612 N CYS A 47 -9.346 -6.966 -4.480 1.00 0.00 N ATOM 613 CA CYS A 47 -9.511 -8.383 -4.178 1.00 0.00 C ATOM 614 C CYS A 47 -10.938 -8.681 -3.726 1.00 0.00 C ATOM 615 O CYS A 47 -11.391 -8.182 -2.697 1.00 0.00 O ATOM 616 CB CYS A 47 -8.518 -8.812 -3.094 1.00 0.00 C ATOM 617 SG CYS A 47 -6.911 -7.958 -3.184 1.00 0.00 S ATOM 0 H CYS A 47 -9.286 -6.364 -3.659 1.00 0.00 H new ATOM 0 HA CYS A 47 -9.313 -8.950 -5.088 1.00 0.00 H new ATOM 0 HB2 CYS A 47 -8.962 -8.628 -2.116 1.00 0.00 H new ATOM 0 HB3 CYS A 47 -8.352 -9.886 -3.172 1.00 0.00 H new ATOM 622 N VAL A 48 -11.640 -9.500 -4.505 1.00 0.00 N ATOM 623 CA VAL A 48 -13.017 -9.866 -4.187 1.00 0.00 C ATOM 624 C VAL A 48 -13.060 -11.093 -3.282 1.00 0.00 C ATOM 625 O VAL A 48 -12.036 -11.732 -3.038 1.00 0.00 O ATOM 626 CB VAL A 48 -13.838 -10.153 -5.461 1.00 0.00 C ATOM 627 CG1 VAL A 48 -15.281 -9.707 -5.281 1.00 0.00 C ATOM 628 CG2 VAL A 48 -13.213 -9.474 -6.672 1.00 0.00 C ATOM 0 H VAL A 48 -11.278 -9.922 -5.360 1.00 0.00 H new ATOM 0 HA VAL A 48 -13.458 -9.014 -3.669 1.00 0.00 H new ATOM 0 HB VAL A 48 -13.831 -11.229 -5.634 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -15.843 -9.918 -6.191 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -15.727 -10.246 -4.445 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -15.308 -8.636 -5.078 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -13.809 -9.691 -7.559 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -13.182 -8.397 -6.510 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -12.199 -9.848 -6.816 1.00 0.00 H new ATOM 638 N ALA A 49 -14.251 -11.416 -2.784 1.00 0.00 N ATOM 639 CA ALA A 49 -14.426 -12.565 -1.905 1.00 0.00 C ATOM 640 C ALA A 49 -14.192 -13.872 -2.653 1.00 0.00 C ATOM 641 O ALA A 49 -13.623 -14.819 -2.108 1.00 0.00 O ATOM 642 CB ALA A 49 -15.818 -12.551 -1.289 1.00 0.00 C ATOM 0 H ALA A 49 -15.108 -10.897 -2.975 1.00 0.00 H new ATOM 0 HA ALA A 49 -13.685 -12.496 -1.108 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -15.935 -13.415 -0.635 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -15.951 -11.637 -0.710 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -16.566 -12.591 -2.080 1.00 0.00 H new ATOM 648 N GLU A 50 -14.637 -13.919 -3.904 1.00 0.00 N ATOM 649 CA GLU A 50 -14.479 -15.110 -4.730 1.00 0.00 C ATOM 650 C GLU A 50 -13.028 -15.278 -5.170 1.00 0.00 C ATOM 651 O GLU A 50 -12.144 -14.547 -4.724 1.00 0.00 O ATOM 652 CB GLU A 50 -15.392 -15.032 -5.955 1.00 0.00 C ATOM 653 CG GLU A 50 -16.664 -15.852 -5.819 1.00 0.00 C ATOM 654 CD GLU A 50 -17.824 -15.260 -6.596 1.00 0.00 C ATOM 655 OE1 GLU A 50 -18.465 -14.318 -6.082 1.00 0.00 O ATOM 656 OE2 GLU A 50 -18.093 -15.738 -7.718 1.00 0.00 O ATOM 0 H GLU A 50 -15.111 -13.144 -4.369 1.00 0.00 H new ATOM 0 HA GLU A 50 -14.760 -15.977 -4.132 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -15.659 -13.990 -6.133 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -14.841 -15.374 -6.831 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -16.477 -16.867 -6.169 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -16.935 -15.923 -4.766 1.00 0.00 H new ATOM 663 N GLY A 51 -12.791 -16.249 -6.047 1.00 0.00 N ATOM 664 CA GLY A 51 -11.448 -16.500 -6.534 1.00 0.00 C ATOM 665 C GLY A 51 -11.104 -15.661 -7.749 1.00 0.00 C ATOM 666 O GLY A 51 -10.681 -16.191 -8.776 1.00 0.00 O ATOM 0 H GLY A 51 -13.507 -16.867 -6.429 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -10.732 -16.292 -5.739 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -11.348 -17.556 -6.786 1.00 0.00 H new ATOM 670 N GLN A 52 -11.284 -14.349 -7.631 1.00 0.00 N ATOM 671 CA GLN A 52 -10.988 -13.436 -8.730 1.00 0.00 C ATOM 672 C GLN A 52 -10.630 -12.048 -8.208 1.00 0.00 C ATOM 673 O GLN A 52 -10.873 -11.729 -7.044 1.00 0.00 O ATOM 674 CB GLN A 52 -12.184 -13.342 -9.679 1.00 0.00 C ATOM 675 CG GLN A 52 -13.465 -12.885 -8.999 1.00 0.00 C ATOM 676 CD GLN A 52 -14.515 -12.414 -9.987 1.00 0.00 C ATOM 677 OE1 GLN A 52 -15.090 -11.336 -9.833 1.00 0.00 O ATOM 678 NE2 GLN A 52 -14.771 -13.222 -11.009 1.00 0.00 N ATOM 0 H GLN A 52 -11.633 -13.895 -6.787 1.00 0.00 H new ATOM 0 HA GLN A 52 -10.130 -13.831 -9.273 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -11.944 -12.650 -10.486 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -12.353 -14.317 -10.136 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -13.871 -13.706 -8.408 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -13.235 -12.076 -8.306 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -14.271 -14.106 -11.098 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -15.468 -12.958 -11.705 1.00 0.00 H new ATOM 687 N CYS A 53 -10.050 -11.228 -9.080 1.00 0.00 N ATOM 688 CA CYS A 53 -9.656 -9.873 -8.714 1.00 0.00 C ATOM 689 C CYS A 53 -9.827 -8.923 -9.895 1.00 0.00 C ATOM 690 O CYS A 53 -10.066 -9.360 -11.023 1.00 0.00 O ATOM 691 CB CYS A 53 -8.204 -9.856 -8.241 1.00 0.00 C ATOM 692 SG CYS A 53 -7.100 -10.961 -9.179 1.00 0.00 S ATOM 0 H CYS A 53 -9.843 -11.480 -10.046 1.00 0.00 H new ATOM 0 HA CYS A 53 -10.301 -9.538 -7.902 1.00 0.00 H new ATOM 0 HB2 CYS A 53 -7.823 -8.837 -8.309 1.00 0.00 H new ATOM 0 HB3 CYS A 53 -8.173 -10.138 -7.189 1.00 0.00 H new ATOM 697 N GLN A 54 -9.707 -7.623 -9.635 1.00 0.00 N ATOM 698 CA GLN A 54 -9.853 -6.621 -10.687 1.00 0.00 C ATOM 699 C GLN A 54 -9.385 -5.244 -10.217 1.00 0.00 C ATOM 700 O GLN A 54 -9.802 -4.761 -9.167 1.00 0.00 O ATOM 701 CB GLN A 54 -11.312 -6.549 -11.144 1.00 0.00 C ATOM 702 CG GLN A 54 -11.616 -5.366 -12.052 1.00 0.00 C ATOM 703 CD GLN A 54 -12.528 -5.728 -13.211 1.00 0.00 C ATOM 704 OE1 GLN A 54 -12.668 -4.962 -14.165 1.00 0.00 O ATOM 705 NE2 GLN A 54 -13.160 -6.897 -13.137 1.00 0.00 N ATOM 0 H GLN A 54 -9.510 -7.241 -8.710 1.00 0.00 H new ATOM 0 HA GLN A 54 -9.224 -6.922 -11.525 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -11.564 -7.471 -11.668 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -11.955 -6.495 -10.266 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -12.081 -4.574 -11.465 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -10.681 -4.966 -12.444 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -13.017 -7.504 -12.330 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -13.787 -7.186 -13.888 1.00 0.00 H new ATOM 714 N LYS A 55 -8.522 -4.619 -11.013 1.00 0.00 N ATOM 715 CA LYS A 55 -7.996 -3.294 -10.693 1.00 0.00 C ATOM 716 C LYS A 55 -8.964 -2.203 -11.139 1.00 0.00 C ATOM 717 O LYS A 55 -9.951 -2.476 -11.821 1.00 0.00 O ATOM 718 CB LYS A 55 -6.636 -3.090 -11.367 1.00 0.00 C ATOM 719 CG LYS A 55 -5.736 -2.094 -10.648 1.00 0.00 C ATOM 720 CD LYS A 55 -4.969 -1.226 -11.632 1.00 0.00 C ATOM 721 CE LYS A 55 -3.883 -2.016 -12.346 1.00 0.00 C ATOM 722 NZ LYS A 55 -4.109 -2.067 -13.816 1.00 0.00 N ATOM 0 H LYS A 55 -8.171 -5.010 -11.887 1.00 0.00 H new ATOM 0 HA LYS A 55 -7.875 -3.228 -9.612 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -6.124 -4.050 -11.428 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -6.796 -2.749 -12.390 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -6.339 -1.462 -9.996 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -5.034 -2.631 -10.010 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -5.659 -0.810 -12.366 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -4.520 -0.385 -11.103 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -2.912 -1.563 -12.143 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -3.851 -3.030 -11.948 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -3.347 -2.614 -14.266 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -5.024 -2.522 -14.011 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -4.114 -1.101 -14.200 1.00 0.00 H new ATOM 736 N LEU A 56 -8.672 -0.965 -10.752 1.00 0.00 N ATOM 737 CA LEU A 56 -9.513 0.171 -11.116 1.00 0.00 C ATOM 738 C LEU A 56 -8.829 1.034 -12.172 1.00 0.00 C ATOM 739 O LEU A 56 -7.601 1.058 -12.266 1.00 0.00 O ATOM 740 CB LEU A 56 -9.836 1.016 -9.882 1.00 0.00 C ATOM 741 CG LEU A 56 -9.780 0.271 -8.547 1.00 0.00 C ATOM 742 CD1 LEU A 56 -9.342 1.208 -7.433 1.00 0.00 C ATOM 743 CD2 LEU A 56 -11.133 -0.349 -8.226 1.00 0.00 C ATOM 0 H LEU A 56 -7.859 -0.723 -10.186 1.00 0.00 H new ATOM 0 HA LEU A 56 -10.443 -0.217 -11.532 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -9.138 1.853 -9.842 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -10.834 1.438 -10.002 1.00 0.00 H new ATOM 0 HG LEU A 56 -9.046 -0.531 -8.629 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -9.308 0.662 -6.490 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -8.352 1.604 -7.659 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -10.052 2.031 -7.350 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -11.075 -0.875 -7.273 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -11.887 0.436 -8.162 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -11.407 -1.052 -9.013 1.00 0.00 H new ATOM 755 N ALA A 57 -9.630 1.741 -12.962 1.00 0.00 N ATOM 756 CA ALA A 57 -9.100 2.605 -14.010 1.00 0.00 C ATOM 757 C ALA A 57 -10.041 3.769 -14.291 1.00 0.00 C ATOM 758 O ALA A 57 -9.601 4.900 -14.504 1.00 0.00 O ATOM 759 CB ALA A 57 -8.854 1.802 -15.279 1.00 0.00 C ATOM 0 H ALA A 57 -10.648 1.733 -12.896 1.00 0.00 H new ATOM 0 HA ALA A 57 -8.152 3.017 -13.664 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -8.458 2.458 -16.054 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -8.135 1.008 -15.074 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -9.792 1.363 -15.619 1.00 0.00 H new ATOM 765 N ALA A 58 -11.340 3.484 -14.292 1.00 0.00 N ATOM 766 CA ALA A 58 -12.348 4.507 -14.548 1.00 0.00 C ATOM 767 C ALA A 58 -13.734 4.027 -14.131 1.00 0.00 C ATOM 768 O ALA A 58 -14.301 4.512 -13.151 1.00 0.00 O ATOM 769 CB ALA A 58 -12.344 4.897 -16.018 1.00 0.00 C ATOM 0 H ALA A 58 -11.719 2.553 -14.118 1.00 0.00 H new ATOM 0 HA ALA A 58 -12.099 5.384 -13.950 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -13.101 5.661 -16.194 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -11.363 5.289 -16.288 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -12.564 4.021 -16.628 1.00 0.00 H new ATOM 775 N ALA A 59 -14.273 3.074 -14.883 1.00 0.00 N ATOM 776 CA ALA A 59 -15.593 2.527 -14.595 1.00 0.00 C ATOM 777 C ALA A 59 -15.500 1.326 -13.662 1.00 0.00 C ATOM 778 O ALA A 59 -14.662 0.444 -13.849 1.00 0.00 O ATOM 779 CB ALA A 59 -16.296 2.140 -15.887 1.00 0.00 C ATOM 0 H ALA A 59 -13.816 2.664 -15.697 1.00 0.00 H new ATOM 0 HA ALA A 59 -16.176 3.299 -14.092 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -17.281 1.733 -15.658 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -16.406 3.021 -16.519 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -15.706 1.388 -16.411 1.00 0.00 H new ATOM 785 N LEU A 60 -16.373 1.297 -12.659 1.00 0.00 N ATOM 786 CA LEU A 60 -16.397 0.203 -11.696 1.00 0.00 C ATOM 787 C LEU A 60 -17.730 -0.536 -11.758 1.00 0.00 C ATOM 788 O LEU A 60 -18.530 -0.479 -10.822 1.00 0.00 O ATOM 789 CB LEU A 60 -16.152 0.732 -10.280 1.00 0.00 C ATOM 790 CG LEU A 60 -16.712 2.128 -10.003 1.00 0.00 C ATOM 791 CD1 LEU A 60 -17.334 2.189 -8.617 1.00 0.00 C ATOM 792 CD2 LEU A 60 -15.620 3.177 -10.146 1.00 0.00 C ATOM 0 H LEU A 60 -17.073 2.020 -12.493 1.00 0.00 H new ATOM 0 HA LEU A 60 -15.600 -0.496 -11.951 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -16.590 0.034 -9.567 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -15.078 0.745 -10.094 1.00 0.00 H new ATOM 0 HG LEU A 60 -17.490 2.339 -10.737 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -17.727 3.190 -8.438 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -18.145 1.464 -8.550 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -16.577 1.957 -7.868 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -16.036 4.165 -9.946 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -14.820 2.969 -9.435 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -15.221 3.150 -11.160 1.00 0.00 H new ATOM 804 N GLU A 61 -17.965 -1.223 -12.871 1.00 0.00 N ATOM 805 CA GLU A 61 -19.204 -1.970 -13.064 1.00 0.00 C ATOM 806 C GLU A 61 -18.974 -3.468 -12.889 1.00 0.00 C ATOM 807 O GLU A 61 -17.961 -4.008 -13.333 1.00 0.00 O ATOM 808 CB GLU A 61 -19.783 -1.689 -14.453 1.00 0.00 C ATOM 809 CG GLU A 61 -18.725 -1.516 -15.531 1.00 0.00 C ATOM 810 CD GLU A 61 -19.191 -2.000 -16.891 1.00 0.00 C ATOM 811 OE1 GLU A 61 -20.219 -1.489 -17.383 1.00 0.00 O ATOM 812 OE2 GLU A 61 -18.528 -2.890 -17.463 1.00 0.00 O ATOM 0 H GLU A 61 -17.314 -1.278 -13.654 1.00 0.00 H new ATOM 0 HA GLU A 61 -19.916 -1.642 -12.307 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -20.445 -2.508 -14.734 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -20.394 -0.787 -14.407 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -18.450 -0.463 -15.599 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -17.827 -2.062 -15.244 1.00 0.00 H new ATOM 819 N HIS A 62 -19.925 -4.134 -12.238 1.00 0.00 N ATOM 820 CA HIS A 62 -19.833 -5.570 -12.002 1.00 0.00 C ATOM 821 C HIS A 62 -20.986 -6.306 -12.679 1.00 0.00 C ATOM 822 O HIS A 62 -21.663 -5.753 -13.546 1.00 0.00 O ATOM 823 CB HIS A 62 -19.839 -5.860 -10.500 1.00 0.00 C ATOM 824 CG HIS A 62 -18.515 -6.317 -9.975 1.00 0.00 C ATOM 825 ND1 HIS A 62 -17.939 -7.519 -10.328 1.00 0.00 N ATOM 826 CD2 HIS A 62 -17.651 -5.727 -9.114 1.00 0.00 C ATOM 827 CE1 HIS A 62 -16.780 -7.650 -9.707 1.00 0.00 C ATOM 828 NE2 HIS A 62 -16.582 -6.577 -8.966 1.00 0.00 N ATOM 0 H HIS A 62 -20.769 -3.700 -11.865 1.00 0.00 H new ATOM 0 HA HIS A 62 -18.896 -5.926 -12.431 1.00 0.00 H new ATOM 0 HB2 HIS A 62 -20.142 -4.960 -9.965 1.00 0.00 H new ATOM 0 HB3 HIS A 62 -20.588 -6.623 -10.288 1.00 0.00 H new ATOM 0 HD2 HIS A 62 -17.779 -4.768 -8.634 1.00 0.00 H new ATOM 0 HE1 HIS A 62 -16.109 -8.492 -9.792 1.00 0.00 H new ATOM 0 HE2 HIS A 62 -15.766 -6.406 -8.378 1.00 0.00 H new ATOM 837 N HIS A 63 -21.204 -7.556 -12.276 1.00 0.00 N ATOM 838 CA HIS A 63 -22.279 -8.367 -12.841 1.00 0.00 C ATOM 839 C HIS A 63 -23.627 -7.676 -12.669 1.00 0.00 C ATOM 840 O HIS A 63 -24.242 -7.237 -13.641 1.00 0.00 O ATOM 841 CB HIS A 63 -22.315 -9.742 -12.171 1.00 0.00 C ATOM 842 CG HIS A 63 -21.089 -10.565 -12.418 1.00 0.00 C ATOM 843 ND1 HIS A 63 -20.721 -11.017 -13.669 1.00 0.00 N ATOM 844 CD2 HIS A 63 -20.143 -11.022 -11.563 1.00 0.00 C ATOM 845 CE1 HIS A 63 -19.605 -11.716 -13.572 1.00 0.00 C ATOM 846 NE2 HIS A 63 -19.234 -11.734 -12.305 1.00 0.00 N ATOM 0 H HIS A 63 -20.651 -8.028 -11.561 1.00 0.00 H new ATOM 0 HA HIS A 63 -22.084 -8.492 -13.906 1.00 0.00 H new ATOM 0 HB2 HIS A 63 -22.442 -9.609 -11.097 1.00 0.00 H new ATOM 0 HB3 HIS A 63 -23.187 -10.289 -12.530 1.00 0.00 H new ATOM 0 HD2 HIS A 63 -20.110 -10.857 -10.496 1.00 0.00 H new ATOM 0 HE1 HIS A 63 -19.084 -12.192 -14.390 1.00 0.00 H new ATOM 0 HE2 HIS A 63 -18.406 -12.202 -11.937 1.00 0.00 H new ATOM 855 N HIS A 64 -24.076 -7.580 -11.420 1.00 0.00 N ATOM 856 CA HIS A 64 -25.349 -6.940 -11.107 1.00 0.00 C ATOM 857 C HIS A 64 -25.440 -6.626 -9.616 1.00 0.00 C ATOM 858 O HIS A 64 -24.895 -7.351 -8.785 1.00 0.00 O ATOM 859 CB HIS A 64 -26.516 -7.837 -11.523 1.00 0.00 C ATOM 860 CG HIS A 64 -26.494 -9.191 -10.885 1.00 0.00 C ATOM 861 ND1 HIS A 64 -27.061 -9.454 -9.655 1.00 0.00 N ATOM 862 CD2 HIS A 64 -25.972 -10.365 -11.314 1.00 0.00 C ATOM 863 CE1 HIS A 64 -26.889 -10.730 -9.355 1.00 0.00 C ATOM 864 NE2 HIS A 64 -26.231 -11.304 -10.346 1.00 0.00 N ATOM 0 H HIS A 64 -23.575 -7.939 -10.607 1.00 0.00 H new ATOM 0 HA HIS A 64 -25.406 -6.006 -11.666 1.00 0.00 H new ATOM 0 HB2 HIS A 64 -27.452 -7.341 -11.268 1.00 0.00 H new ATOM 0 HB3 HIS A 64 -26.503 -7.956 -12.606 1.00 0.00 H new ATOM 0 HD2 HIS A 64 -25.449 -10.532 -12.244 1.00 0.00 H new ATOM 0 HE1 HIS A 64 -27.228 -11.219 -8.454 1.00 0.00 H new ATOM 0 HE2 HIS A 64 -25.959 -12.286 -10.386 1.00 0.00 H new ATOM 873 N HIS A 65 -26.130 -5.538 -9.286 1.00 0.00 N ATOM 874 CA HIS A 65 -26.287 -5.128 -7.895 1.00 0.00 C ATOM 875 C HIS A 65 -27.746 -5.210 -7.458 1.00 0.00 C ATOM 876 O HIS A 65 -28.154 -6.168 -6.802 1.00 0.00 O ATOM 877 CB HIS A 65 -25.766 -3.703 -7.702 1.00 0.00 C ATOM 878 CG HIS A 65 -24.271 -3.607 -7.646 1.00 0.00 C ATOM 879 ND1 HIS A 65 -23.593 -2.410 -7.740 1.00 0.00 N ATOM 880 CD2 HIS A 65 -23.322 -4.563 -7.504 1.00 0.00 C ATOM 881 CE1 HIS A 65 -22.293 -2.634 -7.658 1.00 0.00 C ATOM 882 NE2 HIS A 65 -22.103 -3.932 -7.515 1.00 0.00 N ATOM 0 H HIS A 65 -26.588 -4.926 -9.961 1.00 0.00 H new ATOM 0 HA HIS A 65 -25.705 -5.811 -7.276 1.00 0.00 H new ATOM 0 HB2 HIS A 65 -26.130 -3.079 -8.518 1.00 0.00 H new ATOM 0 HB3 HIS A 65 -26.182 -3.296 -6.780 1.00 0.00 H new ATOM 0 HD2 HIS A 65 -23.493 -5.624 -7.401 1.00 0.00 H new ATOM 0 HE1 HIS A 65 -21.518 -1.883 -7.701 1.00 0.00 H new ATOM 0 HE2 HIS A 65 -21.197 -4.392 -7.427 1.00 0.00 H new ATOM 891 N HIS A 66 -28.526 -4.193 -7.821 1.00 0.00 N ATOM 892 CA HIS A 66 -29.939 -4.141 -7.462 1.00 0.00 C ATOM 893 C HIS A 66 -30.117 -4.208 -5.948 1.00 0.00 C ATOM 894 O HIS A 66 -30.873 -5.035 -5.435 1.00 0.00 O ATOM 895 CB HIS A 66 -30.704 -5.284 -8.134 1.00 0.00 C ATOM 896 CG HIS A 66 -31.784 -4.816 -9.061 1.00 0.00 C ATOM 897 ND1 HIS A 66 -32.276 -3.528 -9.054 1.00 0.00 N ATOM 898 CD2 HIS A 66 -32.467 -5.473 -10.027 1.00 0.00 C ATOM 899 CE1 HIS A 66 -33.216 -3.413 -9.975 1.00 0.00 C ATOM 900 NE2 HIS A 66 -33.350 -4.578 -10.580 1.00 0.00 N ATOM 0 H HIS A 66 -28.201 -3.393 -8.364 1.00 0.00 H new ATOM 0 HA HIS A 66 -30.343 -3.192 -7.815 1.00 0.00 H new ATOM 0 HB2 HIS A 66 -30.001 -5.903 -8.691 1.00 0.00 H new ATOM 0 HB3 HIS A 66 -31.146 -5.917 -7.364 1.00 0.00 H new ATOM 0 HD2 HIS A 66 -32.341 -6.508 -10.310 1.00 0.00 H new ATOM 0 HE1 HIS A 66 -33.779 -2.518 -10.195 1.00 0.00 H new ATOM 0 HE2 HIS A 66 -34.004 -4.781 -11.336 1.00 0.00 H new ATOM 909 N HIS A 67 -29.413 -3.331 -5.238 1.00 0.00 N ATOM 910 CA HIS A 67 -29.487 -3.283 -3.781 1.00 0.00 C ATOM 911 C HIS A 67 -30.928 -3.106 -3.312 1.00 0.00 C ATOM 912 O HIS A 67 -31.710 -2.458 -4.041 1.00 0.00 O ATOM 913 CB HIS A 67 -28.621 -2.140 -3.245 1.00 0.00 C ATOM 914 CG HIS A 67 -27.887 -2.475 -1.982 1.00 0.00 C ATOM 915 ND1 HIS A 67 -26.999 -1.608 -1.378 1.00 0.00 N ATOM 916 CD2 HIS A 67 -27.909 -3.587 -1.205 1.00 0.00 C ATOM 917 CE1 HIS A 67 -26.508 -2.172 -0.288 1.00 0.00 C ATOM 918 NE2 HIS A 67 -27.045 -3.370 -0.162 1.00 0.00 N ATOM 919 OXT HIS A 67 -31.263 -3.617 -2.223 1.00 0.00 O ATOM 0 H HIS A 67 -28.783 -2.642 -5.649 1.00 0.00 H new ATOM 0 HA HIS A 67 -29.113 -4.230 -3.392 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -27.898 -1.856 -4.009 1.00 0.00 H new ATOM 0 HB3 HIS A 67 -29.254 -1.271 -3.066 1.00 0.00 H new ATOM 0 HD2 HIS A 67 -28.497 -4.477 -1.376 1.00 0.00 H new ATOM 0 HE1 HIS A 67 -25.790 -1.728 0.385 1.00 0.00 H new ATOM 0 HE2 HIS A 67 -26.849 -4.030 0.591 1.00 0.00 H new TER 928 HIS A 67