USER MOD reduce.3.24.130724 H: found=0, std=0, add=427, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 427 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 15 CYS SG : rot 143:sc= -1.52 USER MOD Set 1.2: A 18 HIS : no HE2:sc= -6.14! C(o=-14!,f=-17!) USER MOD Set 1.3: A 34 CYS SG : rot 65:sc= -3.59 USER MOD Set 1.4: A 37 CYS SG : rot -39:sc= -2.95! USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot -170:sc= -0.961 USER MOD Single : A 14 THR OG1 : rot -67:sc= 0.72 USER MOD Single : A 17 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 MET CE :methyl -151:sc= -0.0311 (180deg=-0.622) USER MOD Single : A 50 SER OG : rot -56:sc= 0.0129 USER MOD Single : A 54 THR OG1 : rot 180:sc=-0.00424 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 57 ASN : amide:sc= -0.47 K(o=-0.47,f=-2.6!) USER MOD Single : A 59 LYS NZ :NH3+ 127:sc= 0 (180deg=-0.0444) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 2 -26.497 -10.224 -11.587 1.00 0.00 N ATOM 2 CA ALA A 2 -25.922 -8.860 -11.454 1.00 0.00 C ATOM 3 C ALA A 2 -25.191 -8.449 -12.728 1.00 0.00 C ATOM 4 O ALA A 2 -24.122 -8.973 -13.039 1.00 0.00 O ATOM 5 CB ALA A 2 -24.979 -8.799 -10.263 1.00 0.00 C ATOM 0 HA ALA A 2 -26.742 -8.160 -11.291 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -24.565 -7.794 -10.178 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -25.526 -9.045 -9.353 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -24.169 -9.514 -10.403 1.00 0.00 H new ATOM 10 N SER A 3 -25.776 -7.507 -13.462 1.00 0.00 N ATOM 11 CA SER A 3 -25.181 -7.025 -14.703 1.00 0.00 C ATOM 12 C SER A 3 -24.079 -6.010 -14.419 1.00 0.00 C ATOM 13 O SER A 3 -22.974 -6.112 -14.955 1.00 0.00 O ATOM 14 CB SER A 3 -26.252 -6.396 -15.596 1.00 0.00 C ATOM 15 OG SER A 3 -27.375 -7.250 -15.725 1.00 0.00 O ATOM 0 H SER A 3 -26.661 -7.063 -13.218 1.00 0.00 H new ATOM 0 HA SER A 3 -24.741 -7.877 -15.221 1.00 0.00 H new ATOM 0 HB2 SER A 3 -26.565 -5.440 -15.176 1.00 0.00 H new ATOM 0 HB3 SER A 3 -25.833 -6.190 -16.581 1.00 0.00 H new ATOM 0 HG SER A 3 -28.046 -6.824 -16.299 1.00 0.00 H new ATOM 21 N THR A 4 -24.385 -5.031 -13.575 1.00 0.00 N ATOM 22 CA THR A 4 -23.420 -3.997 -13.221 1.00 0.00 C ATOM 23 C THR A 4 -22.898 -4.202 -11.801 1.00 0.00 C ATOM 24 O THR A 4 -23.184 -3.412 -10.901 1.00 0.00 O ATOM 25 CB THR A 4 -24.055 -2.611 -13.349 1.00 0.00 C ATOM 26 OG1 THR A 4 -24.605 -2.430 -14.642 1.00 0.00 O ATOM 27 CG2 THR A 4 -23.081 -1.480 -13.102 1.00 0.00 C ATOM 0 H THR A 4 -25.294 -4.932 -13.123 1.00 0.00 H new ATOM 0 HA THR A 4 -22.579 -4.068 -13.911 1.00 0.00 H new ATOM 0 HB THR A 4 -24.828 -2.576 -12.581 1.00 0.00 H new ATOM 0 HG1 THR A 4 -25.008 -1.539 -14.704 1.00 0.00 H new ATOM 0 HG21 THR A 4 -23.597 -0.526 -13.209 1.00 0.00 H new ATOM 0 HG22 THR A 4 -22.676 -1.563 -12.094 1.00 0.00 H new ATOM 0 HG23 THR A 4 -22.268 -1.536 -13.826 1.00 0.00 H new ATOM 35 N SER A 5 -22.131 -5.271 -11.609 1.00 0.00 N ATOM 36 CA SER A 5 -21.568 -5.583 -10.300 1.00 0.00 C ATOM 37 C SER A 5 -20.044 -5.560 -10.345 1.00 0.00 C ATOM 38 O SER A 5 -19.392 -5.088 -9.412 1.00 0.00 O ATOM 39 CB SER A 5 -22.057 -6.954 -9.825 1.00 0.00 C ATOM 40 OG SER A 5 -23.070 -6.821 -8.843 1.00 0.00 O ATOM 0 H SER A 5 -21.885 -5.935 -12.343 1.00 0.00 H new ATOM 0 HA SER A 5 -21.904 -4.822 -9.596 1.00 0.00 H new ATOM 0 HB2 SER A 5 -22.440 -7.521 -10.673 1.00 0.00 H new ATOM 0 HB3 SER A 5 -21.221 -7.520 -9.415 1.00 0.00 H new ATOM 0 HG SER A 5 -23.254 -7.696 -8.443 1.00 0.00 H new ATOM 46 N ARG A 6 -19.480 -6.073 -11.434 1.00 0.00 N ATOM 47 CA ARG A 6 -18.032 -6.111 -11.598 1.00 0.00 C ATOM 48 C ARG A 6 -17.383 -6.943 -10.498 1.00 0.00 C ATOM 49 O ARG A 6 -18.048 -7.368 -9.553 1.00 0.00 O ATOM 50 CB ARG A 6 -17.458 -4.693 -11.588 1.00 0.00 C ATOM 51 CG ARG A 6 -18.136 -3.755 -12.573 1.00 0.00 C ATOM 52 CD ARG A 6 -17.480 -3.816 -13.942 1.00 0.00 C ATOM 53 NE ARG A 6 -18.166 -4.747 -14.836 1.00 0.00 N ATOM 54 CZ ARG A 6 -17.987 -4.776 -16.154 1.00 0.00 C ATOM 55 NH1 ARG A 6 -17.146 -3.930 -16.736 1.00 0.00 N ATOM 56 NH2 ARG A 6 -18.650 -5.655 -16.894 1.00 0.00 N ATOM 0 H ARG A 6 -20.004 -6.468 -12.215 1.00 0.00 H new ATOM 0 HA ARG A 6 -17.812 -6.576 -12.559 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -17.550 -4.280 -10.584 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -16.393 -4.739 -11.817 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -19.190 -4.019 -12.661 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -18.093 -2.734 -12.193 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -17.477 -2.821 -14.387 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -16.439 -4.119 -13.832 1.00 0.00 H new ATOM 0 HE ARG A 6 -18.820 -5.413 -14.425 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -16.632 -3.253 -16.172 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -17.013 -3.957 -17.747 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -19.297 -6.308 -16.452 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -18.513 -5.677 -17.904 1.00 0.00 H new ATOM 70 N LEU A 7 -16.080 -7.171 -10.626 1.00 0.00 N ATOM 71 CA LEU A 7 -15.342 -7.952 -9.641 1.00 0.00 C ATOM 72 C LEU A 7 -14.062 -7.234 -9.225 1.00 0.00 C ATOM 73 O LEU A 7 -13.742 -7.153 -8.039 1.00 0.00 O ATOM 74 CB LEU A 7 -15.007 -9.335 -10.202 1.00 0.00 C ATOM 75 CG LEU A 7 -16.220 -10.201 -10.556 1.00 0.00 C ATOM 76 CD1 LEU A 7 -16.475 -10.177 -12.056 1.00 0.00 C ATOM 77 CD2 LEU A 7 -16.017 -11.629 -10.072 1.00 0.00 C ATOM 0 H LEU A 7 -15.514 -6.826 -11.401 1.00 0.00 H new ATOM 0 HA LEU A 7 -15.973 -8.069 -8.760 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -14.396 -9.210 -11.096 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -14.399 -9.869 -9.472 1.00 0.00 H new ATOM 0 HG LEU A 7 -17.094 -9.788 -10.052 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -17.340 -10.798 -12.288 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -16.667 -9.153 -12.376 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -15.601 -10.563 -12.580 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -16.889 -12.229 -10.333 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -15.131 -12.051 -10.546 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -15.885 -11.631 -8.990 1.00 0.00 H new ATOM 89 N ASP A 8 -13.333 -6.715 -10.209 1.00 0.00 N ATOM 90 CA ASP A 8 -12.087 -6.003 -9.940 1.00 0.00 C ATOM 91 C ASP A 8 -11.470 -5.475 -11.232 1.00 0.00 C ATOM 92 O ASP A 8 -11.520 -4.277 -11.510 1.00 0.00 O ATOM 93 CB ASP A 8 -11.087 -6.914 -9.218 1.00 0.00 C ATOM 94 CG ASP A 8 -11.263 -8.381 -9.567 1.00 0.00 C ATOM 95 OD1 ASP A 8 -11.702 -8.673 -10.699 1.00 0.00 O ATOM 96 OD2 ASP A 8 -10.961 -9.236 -8.708 1.00 0.00 O ATOM 0 H ASP A 8 -13.582 -6.774 -11.196 1.00 0.00 H new ATOM 0 HA ASP A 8 -12.321 -5.156 -9.295 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -10.073 -6.605 -9.472 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -11.199 -6.786 -8.141 1.00 0.00 H new ATOM 101 N ALA A 9 -10.888 -6.376 -12.020 1.00 0.00 N ATOM 102 CA ALA A 9 -10.257 -6.009 -13.285 1.00 0.00 C ATOM 103 C ALA A 9 -8.900 -5.346 -13.056 1.00 0.00 C ATOM 104 O ALA A 9 -7.859 -5.985 -13.195 1.00 0.00 O ATOM 105 CB ALA A 9 -11.170 -5.098 -14.101 1.00 0.00 C ATOM 0 H ALA A 9 -10.840 -7.371 -11.803 1.00 0.00 H new ATOM 0 HA ALA A 9 -10.090 -6.926 -13.851 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -10.680 -4.837 -15.039 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -12.106 -5.615 -14.312 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -11.377 -4.190 -13.535 1.00 0.00 H new ATOM 111 N LEU A 10 -8.918 -4.060 -12.713 1.00 0.00 N ATOM 112 CA LEU A 10 -7.681 -3.317 -12.477 1.00 0.00 C ATOM 113 C LEU A 10 -7.175 -3.500 -11.042 1.00 0.00 C ATOM 114 O LEU A 10 -6.069 -3.997 -10.834 1.00 0.00 O ATOM 115 CB LEU A 10 -7.872 -1.826 -12.783 1.00 0.00 C ATOM 116 CG LEU A 10 -8.999 -1.494 -13.767 1.00 0.00 C ATOM 117 CD1 LEU A 10 -10.278 -1.145 -13.019 1.00 0.00 C ATOM 118 CD2 LEU A 10 -8.588 -0.350 -14.683 1.00 0.00 C ATOM 0 H LEU A 10 -9.770 -3.513 -12.593 1.00 0.00 H new ATOM 0 HA LEU A 10 -6.928 -3.722 -13.153 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -8.065 -1.303 -11.847 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -6.937 -1.432 -13.182 1.00 0.00 H new ATOM 0 HG LEU A 10 -9.189 -2.375 -14.380 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -11.066 -0.912 -13.735 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -10.584 -1.993 -12.406 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -10.101 -0.280 -12.380 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -9.400 -0.128 -15.375 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -8.369 0.534 -14.085 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -7.700 -0.636 -15.246 1.00 0.00 H new ATOM 130 N PRO A 11 -7.968 -3.098 -10.027 1.00 0.00 N ATOM 131 CA PRO A 11 -7.567 -3.224 -8.619 1.00 0.00 C ATOM 132 C PRO A 11 -7.226 -4.660 -8.230 1.00 0.00 C ATOM 133 O PRO A 11 -6.075 -4.971 -7.920 1.00 0.00 O ATOM 134 CB PRO A 11 -8.796 -2.736 -7.839 1.00 0.00 C ATOM 135 CG PRO A 11 -9.919 -2.758 -8.819 1.00 0.00 C ATOM 136 CD PRO A 11 -9.300 -2.488 -10.157 1.00 0.00 C ATOM 0 HA PRO A 11 -6.662 -2.652 -8.411 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -9.004 -3.384 -6.988 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -8.638 -1.732 -7.444 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -10.426 -3.723 -8.811 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -10.666 -2.003 -8.574 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -9.874 -2.938 -10.967 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -9.237 -1.420 -10.366 1.00 0.00 H new ATOM 144 N ARG A 12 -8.231 -5.529 -8.239 1.00 0.00 N ATOM 145 CA ARG A 12 -8.035 -6.930 -7.876 1.00 0.00 C ATOM 146 C ARG A 12 -7.733 -7.061 -6.386 1.00 0.00 C ATOM 147 O ARG A 12 -6.586 -7.263 -5.988 1.00 0.00 O ATOM 148 CB ARG A 12 -6.902 -7.546 -8.707 1.00 0.00 C ATOM 149 CG ARG A 12 -7.360 -8.683 -9.606 1.00 0.00 C ATOM 150 CD ARG A 12 -6.377 -8.927 -10.740 1.00 0.00 C ATOM 151 NE ARG A 12 -5.045 -9.273 -10.247 1.00 0.00 N ATOM 152 CZ ARG A 12 -4.116 -9.880 -10.982 1.00 0.00 C ATOM 153 NH1 ARG A 12 -4.368 -10.208 -12.244 1.00 0.00 N ATOM 154 NH2 ARG A 12 -2.932 -10.160 -10.456 1.00 0.00 N ATOM 0 H ARG A 12 -9.189 -5.289 -8.493 1.00 0.00 H new ATOM 0 HA ARG A 12 -8.956 -7.472 -8.090 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -6.448 -6.768 -9.321 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -6.127 -7.914 -8.034 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -7.470 -9.593 -9.016 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -8.342 -8.450 -10.018 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -6.749 -9.731 -11.375 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -6.312 -8.034 -11.362 1.00 0.00 H new ATOM 0 HE ARG A 12 -4.814 -9.035 -9.282 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -5.277 -9.995 -12.655 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -3.652 -10.673 -12.803 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -2.732 -9.910 -9.487 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -2.221 -10.625 -11.020 1.00 0.00 H new ATOM 168 N VAL A 13 -8.772 -6.939 -5.566 1.00 0.00 N ATOM 169 CA VAL A 13 -8.621 -7.038 -4.119 1.00 0.00 C ATOM 170 C VAL A 13 -8.153 -8.429 -3.708 1.00 0.00 C ATOM 171 O VAL A 13 -8.610 -9.434 -4.252 1.00 0.00 O ATOM 172 CB VAL A 13 -9.939 -6.718 -3.391 1.00 0.00 C ATOM 173 CG1 VAL A 13 -10.204 -5.221 -3.400 1.00 0.00 C ATOM 174 CG2 VAL A 13 -11.096 -7.476 -4.022 1.00 0.00 C ATOM 0 H VAL A 13 -9.728 -6.771 -5.879 1.00 0.00 H new ATOM 0 HA VAL A 13 -7.869 -6.304 -3.831 1.00 0.00 H new ATOM 0 HB VAL A 13 -9.847 -7.041 -2.354 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -11.140 -5.014 -2.881 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -9.387 -4.704 -2.896 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -10.275 -4.870 -4.430 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -12.019 -7.237 -3.494 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -11.192 -7.188 -5.069 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -10.908 -8.548 -3.956 1.00 0.00 H new ATOM 184 N THR A 14 -7.233 -8.476 -2.750 1.00 0.00 N ATOM 185 CA THR A 14 -6.690 -9.740 -2.264 1.00 0.00 C ATOM 186 C THR A 14 -6.065 -10.532 -3.405 1.00 0.00 C ATOM 187 O THR A 14 -6.067 -10.092 -4.555 1.00 0.00 O ATOM 188 CB THR A 14 -7.778 -10.573 -1.582 1.00 0.00 C ATOM 189 OG1 THR A 14 -8.630 -11.178 -2.540 1.00 0.00 O ATOM 190 CG2 THR A 14 -8.645 -9.768 -0.634 1.00 0.00 C ATOM 0 H THR A 14 -6.846 -7.650 -2.293 1.00 0.00 H new ATOM 0 HA THR A 14 -5.916 -9.512 -1.531 1.00 0.00 H new ATOM 0 HB THR A 14 -7.241 -11.326 -1.006 1.00 0.00 H new ATOM 0 HG1 THR A 14 -9.142 -10.485 -3.007 1.00 0.00 H new ATOM 0 HG21 THR A 14 -9.395 -10.419 -0.185 1.00 0.00 H new ATOM 0 HG22 THR A 14 -8.023 -9.336 0.150 1.00 0.00 H new ATOM 0 HG23 THR A 14 -9.141 -8.969 -1.185 1.00 0.00 H new ATOM 198 N CYS A 15 -5.528 -11.701 -3.080 1.00 0.00 N ATOM 199 CA CYS A 15 -4.893 -12.556 -4.076 1.00 0.00 C ATOM 200 C CYS A 15 -5.930 -13.259 -4.946 1.00 0.00 C ATOM 201 O CYS A 15 -6.907 -13.810 -4.436 1.00 0.00 O ATOM 202 CB CYS A 15 -4.022 -13.605 -3.389 1.00 0.00 C ATOM 203 SG CYS A 15 -2.856 -14.437 -4.492 1.00 0.00 S ATOM 0 H CYS A 15 -5.519 -12.080 -2.133 1.00 0.00 H new ATOM 0 HA CYS A 15 -4.277 -11.921 -4.712 1.00 0.00 H new ATOM 0 HB2 CYS A 15 -3.465 -13.127 -2.583 1.00 0.00 H new ATOM 0 HB3 CYS A 15 -4.668 -14.353 -2.930 1.00 0.00 H new ATOM 0 HG CYS A 15 -1.737 -14.646 -3.863 1.00 0.00 H new ATOM 209 N PRO A 16 -5.724 -13.273 -6.275 1.00 0.00 N ATOM 210 CA PRO A 16 -6.641 -13.940 -7.201 1.00 0.00 C ATOM 211 C PRO A 16 -6.608 -15.454 -7.027 1.00 0.00 C ATOM 212 O PRO A 16 -7.534 -16.159 -7.432 1.00 0.00 O ATOM 213 CB PRO A 16 -6.105 -13.549 -8.581 1.00 0.00 C ATOM 214 CG PRO A 16 -4.663 -13.255 -8.355 1.00 0.00 C ATOM 215 CD PRO A 16 -4.578 -12.662 -6.976 1.00 0.00 C ATOM 0 HA PRO A 16 -7.678 -13.647 -7.040 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -6.237 -14.357 -9.301 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -6.629 -12.680 -8.978 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -4.063 -14.162 -8.429 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -4.283 -12.560 -9.104 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -3.633 -12.905 -6.491 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -4.654 -11.575 -7.000 1.00 0.00 H new ATOM 223 N ASN A 17 -5.532 -15.948 -6.417 1.00 0.00 N ATOM 224 CA ASN A 17 -5.368 -17.375 -6.181 1.00 0.00 C ATOM 225 C ASN A 17 -5.427 -17.697 -4.688 1.00 0.00 C ATOM 226 O ASN A 17 -5.525 -18.863 -4.303 1.00 0.00 O ATOM 227 CB ASN A 17 -4.038 -17.857 -6.766 1.00 0.00 C ATOM 228 CG ASN A 17 -4.210 -18.553 -8.101 1.00 0.00 C ATOM 229 OD1 ASN A 17 -4.111 -17.930 -9.157 1.00 0.00 O ATOM 230 ND2 ASN A 17 -4.469 -19.855 -8.058 1.00 0.00 N ATOM 0 H ASN A 17 -4.759 -15.375 -6.077 1.00 0.00 H new ATOM 0 HA ASN A 17 -6.188 -17.895 -6.676 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -3.368 -17.006 -6.887 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -3.561 -18.540 -6.063 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -4.594 -20.379 -8.924 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -4.542 -20.331 -7.159 1.00 0.00 H new ATOM 237 N HIS A 18 -5.372 -16.664 -3.850 1.00 0.00 N ATOM 238 CA HIS A 18 -5.424 -16.857 -2.406 1.00 0.00 C ATOM 239 C HIS A 18 -6.432 -15.918 -1.754 1.00 0.00 C ATOM 240 O HIS A 18 -6.065 -14.852 -1.253 1.00 0.00 O ATOM 241 CB HIS A 18 -4.055 -16.627 -1.776 1.00 0.00 C ATOM 242 CG HIS A 18 -3.055 -17.694 -2.070 1.00 0.00 C ATOM 243 ND1 HIS A 18 -1.842 -17.434 -2.664 1.00 0.00 N ATOM 244 CD2 HIS A 18 -3.072 -19.017 -1.809 1.00 0.00 C ATOM 245 CE1 HIS A 18 -1.149 -18.553 -2.756 1.00 0.00 C ATOM 246 NE2 HIS A 18 -1.874 -19.534 -2.245 1.00 0.00 N ATOM 0 H HIS A 18 -5.292 -15.691 -4.145 1.00 0.00 H new ATOM 0 HA HIS A 18 -5.736 -17.887 -2.235 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -3.663 -15.672 -2.126 1.00 0.00 H new ATOM 0 HB3 HIS A 18 -4.175 -16.546 -0.696 1.00 0.00 H new ATOM 0 HD1 HIS A 18 -1.527 -16.518 -2.984 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -3.876 -19.568 -1.344 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -0.159 -18.651 -3.177 1.00 0.00 H new ATOM 255 N PRO A 19 -7.716 -16.306 -1.725 1.00 0.00 N ATOM 256 CA PRO A 19 -8.756 -15.492 -1.102 1.00 0.00 C ATOM 257 C PRO A 19 -8.439 -15.242 0.367 1.00 0.00 C ATOM 258 O PRO A 19 -8.617 -14.135 0.875 1.00 0.00 O ATOM 259 CB PRO A 19 -10.028 -16.337 -1.247 1.00 0.00 C ATOM 260 CG PRO A 19 -9.551 -17.721 -1.543 1.00 0.00 C ATOM 261 CD PRO A 19 -8.247 -17.565 -2.269 1.00 0.00 C ATOM 0 HA PRO A 19 -8.851 -14.509 -1.563 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -10.622 -16.313 -0.334 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -10.662 -15.959 -2.050 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -9.420 -18.293 -0.624 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -10.275 -18.261 -2.154 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -7.576 -18.402 -2.078 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -8.390 -17.510 -3.348 1.00 0.00 H new ATOM 269 N ASP A 20 -7.965 -16.287 1.040 1.00 0.00 N ATOM 270 CA ASP A 20 -7.616 -16.200 2.453 1.00 0.00 C ATOM 271 C ASP A 20 -6.305 -15.439 2.663 1.00 0.00 C ATOM 272 O ASP A 20 -5.948 -15.118 3.796 1.00 0.00 O ATOM 273 CB ASP A 20 -7.504 -17.601 3.055 1.00 0.00 C ATOM 274 CG ASP A 20 -8.842 -18.134 3.530 1.00 0.00 C ATOM 275 OD1 ASP A 20 -9.211 -17.862 4.692 1.00 0.00 O ATOM 276 OD2 ASP A 20 -9.520 -18.822 2.739 1.00 0.00 O ATOM 0 H ASP A 20 -7.814 -17.207 0.627 1.00 0.00 H new ATOM 0 HA ASP A 20 -8.410 -15.649 2.957 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -7.088 -18.281 2.311 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -6.807 -17.579 3.892 1.00 0.00 H new ATOM 281 N ALA A 21 -5.595 -15.137 1.575 1.00 0.00 N ATOM 282 CA ALA A 21 -4.340 -14.397 1.678 1.00 0.00 C ATOM 283 C ALA A 21 -4.544 -12.937 1.326 1.00 0.00 C ATOM 284 O ALA A 21 -4.808 -12.578 0.177 1.00 0.00 O ATOM 285 CB ALA A 21 -3.265 -15.014 0.805 1.00 0.00 C ATOM 0 H ALA A 21 -5.864 -15.390 0.624 1.00 0.00 H new ATOM 0 HA ALA A 21 -4.004 -14.456 2.713 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -2.343 -14.441 0.903 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -3.088 -16.043 1.118 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -3.590 -15.003 -0.235 1.00 0.00 H new ATOM 291 N ILE A 22 -4.462 -12.130 2.344 1.00 0.00 N ATOM 292 CA ILE A 22 -4.681 -10.719 2.190 1.00 0.00 C ATOM 293 C ILE A 22 -3.402 -9.934 1.892 1.00 0.00 C ATOM 294 O ILE A 22 -2.965 -9.115 2.699 1.00 0.00 O ATOM 295 CB ILE A 22 -5.395 -10.130 3.411 1.00 0.00 C ATOM 296 CG1 ILE A 22 -5.923 -11.219 4.353 1.00 0.00 C ATOM 297 CG2 ILE A 22 -6.539 -9.272 2.933 1.00 0.00 C ATOM 298 CD1 ILE A 22 -6.921 -12.152 3.703 1.00 0.00 C ATOM 0 H ILE A 22 -4.244 -12.426 3.295 1.00 0.00 H new ATOM 0 HA ILE A 22 -5.324 -10.614 1.316 1.00 0.00 H new ATOM 0 HB ILE A 22 -4.676 -9.537 3.975 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -5.082 -11.803 4.726 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -6.390 -10.745 5.216 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -7.057 -8.845 3.792 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -6.154 -8.468 2.306 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -7.234 -9.881 2.356 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -7.250 -12.895 4.429 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -7.781 -11.580 3.354 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -6.452 -12.654 2.857 1.00 0.00 H new ATOM 310 N LEU A 23 -2.826 -10.198 0.705 1.00 0.00 N ATOM 311 CA LEU A 23 -1.601 -9.521 0.243 1.00 0.00 C ATOM 312 C LEU A 23 -1.271 -8.341 1.149 1.00 0.00 C ATOM 313 O LEU A 23 -2.042 -7.395 1.257 1.00 0.00 O ATOM 314 CB LEU A 23 -1.767 -9.031 -1.202 1.00 0.00 C ATOM 315 CG LEU A 23 -1.238 -9.975 -2.288 1.00 0.00 C ATOM 316 CD1 LEU A 23 -2.290 -11.005 -2.636 1.00 0.00 C ATOM 317 CD2 LEU A 23 -0.821 -9.186 -3.525 1.00 0.00 C ATOM 0 H LEU A 23 -3.194 -10.882 0.043 1.00 0.00 H new ATOM 0 HA LEU A 23 -0.782 -10.240 0.281 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -2.826 -8.852 -1.386 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -1.260 -8.071 -1.302 1.00 0.00 H new ATOM 0 HG LEU A 23 -0.358 -10.494 -1.907 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -1.905 -11.671 -3.408 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -2.539 -11.585 -1.747 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -3.184 -10.502 -3.003 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -0.448 -9.872 -4.285 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -1.681 -8.643 -3.917 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -0.036 -8.479 -3.258 1.00 0.00 H new ATOM 329 N VAL A 24 -0.154 -8.419 1.838 1.00 0.00 N ATOM 330 CA VAL A 24 0.218 -7.370 2.767 1.00 0.00 C ATOM 331 C VAL A 24 0.888 -6.190 2.082 1.00 0.00 C ATOM 332 O VAL A 24 1.467 -6.318 1.007 1.00 0.00 O ATOM 333 CB VAL A 24 1.089 -7.929 3.889 1.00 0.00 C ATOM 334 CG1 VAL A 24 1.279 -6.901 4.995 1.00 0.00 C ATOM 335 CG2 VAL A 24 0.440 -9.200 4.417 1.00 0.00 C ATOM 0 H VAL A 24 0.510 -9.191 1.775 1.00 0.00 H new ATOM 0 HA VAL A 24 -0.705 -6.987 3.203 1.00 0.00 H new ATOM 0 HB VAL A 24 2.081 -8.164 3.504 1.00 0.00 H new ATOM 0 HG11 VAL A 24 1.903 -7.324 5.782 1.00 0.00 H new ATOM 0 HG12 VAL A 24 1.762 -6.013 4.587 1.00 0.00 H new ATOM 0 HG13 VAL A 24 0.308 -6.628 5.409 1.00 0.00 H new ATOM 0 HG21 VAL A 24 1.050 -9.613 5.220 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -0.555 -8.969 4.799 1.00 0.00 H new ATOM 0 HG23 VAL A 24 0.359 -9.929 3.611 1.00 0.00 H new ATOM 345 N GLU A 25 0.772 -5.044 2.737 1.00 0.00 N ATOM 346 CA GLU A 25 1.308 -3.794 2.250 1.00 0.00 C ATOM 347 C GLU A 25 2.804 -3.743 2.426 1.00 0.00 C ATOM 348 O GLU A 25 3.333 -3.955 3.517 1.00 0.00 O ATOM 349 CB GLU A 25 0.649 -2.613 2.967 1.00 0.00 C ATOM 350 CG GLU A 25 -0.120 -1.688 2.035 1.00 0.00 C ATOM 351 CD GLU A 25 0.263 -0.231 2.211 1.00 0.00 C ATOM 352 OE1 GLU A 25 1.474 0.072 2.181 1.00 0.00 O ATOM 353 OE2 GLU A 25 -0.650 0.606 2.378 1.00 0.00 O ATOM 0 H GLU A 25 0.295 -4.962 3.635 1.00 0.00 H new ATOM 0 HA GLU A 25 1.087 -3.725 1.185 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -0.031 -2.994 3.729 1.00 0.00 H new ATOM 0 HB3 GLU A 25 1.417 -2.038 3.484 1.00 0.00 H new ATOM 0 HG2 GLU A 25 0.063 -1.985 1.002 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -1.189 -1.803 2.216 1.00 0.00 H new ATOM 360 N ASP A 26 3.468 -3.457 1.334 1.00 0.00 N ATOM 361 CA ASP A 26 4.904 -3.360 1.301 1.00 0.00 C ATOM 362 C ASP A 26 5.581 -4.574 1.924 1.00 0.00 C ATOM 363 O ASP A 26 5.610 -4.732 3.146 1.00 0.00 O ATOM 364 CB ASP A 26 5.375 -2.074 1.980 1.00 0.00 C ATOM 365 CG ASP A 26 6.304 -1.263 1.099 1.00 0.00 C ATOM 366 OD1 ASP A 26 7.427 -1.735 0.827 1.00 0.00 O ATOM 367 OD2 ASP A 26 5.908 -0.154 0.680 1.00 0.00 O ATOM 0 H ASP A 26 3.021 -3.283 0.434 1.00 0.00 H new ATOM 0 HA ASP A 26 5.197 -3.332 0.252 1.00 0.00 H new ATOM 0 HB2 ASP A 26 4.509 -1.468 2.245 1.00 0.00 H new ATOM 0 HB3 ASP A 26 5.886 -2.323 2.910 1.00 0.00 H new ATOM 372 N TYR A 27 6.138 -5.424 1.070 1.00 0.00 N ATOM 373 CA TYR A 27 6.830 -6.620 1.521 1.00 0.00 C ATOM 374 C TYR A 27 7.807 -7.111 0.458 1.00 0.00 C ATOM 375 O TYR A 27 7.695 -6.759 -0.715 1.00 0.00 O ATOM 376 CB TYR A 27 5.830 -7.721 1.863 1.00 0.00 C ATOM 377 CG TYR A 27 5.908 -8.183 3.301 1.00 0.00 C ATOM 378 CD1 TYR A 27 5.214 -7.517 4.304 1.00 0.00 C ATOM 379 CD2 TYR A 27 6.678 -9.283 3.654 1.00 0.00 C ATOM 380 CE1 TYR A 27 5.285 -7.937 5.619 1.00 0.00 C ATOM 381 CE2 TYR A 27 6.753 -9.709 4.967 1.00 0.00 C ATOM 382 CZ TYR A 27 6.055 -9.032 5.945 1.00 0.00 C ATOM 383 OH TYR A 27 6.128 -9.453 7.253 1.00 0.00 O ATOM 0 H TYR A 27 6.122 -5.304 0.057 1.00 0.00 H new ATOM 0 HA TYR A 27 7.393 -6.367 2.419 1.00 0.00 H new ATOM 0 HB2 TYR A 27 4.822 -7.361 1.660 1.00 0.00 H new ATOM 0 HB3 TYR A 27 6.002 -8.574 1.206 1.00 0.00 H new ATOM 0 HD1 TYR A 27 4.610 -6.658 4.052 1.00 0.00 H new ATOM 0 HD2 TYR A 27 7.227 -9.814 2.891 1.00 0.00 H new ATOM 0 HE1 TYR A 27 4.739 -7.409 6.387 1.00 0.00 H new ATOM 0 HE2 TYR A 27 7.355 -10.568 5.226 1.00 0.00 H new ATOM 0 HH TYR A 27 6.712 -10.238 7.312 1.00 0.00 H new ATOM 393 N ARG A 28 8.774 -7.919 0.890 1.00 0.00 N ATOM 394 CA ARG A 28 9.784 -8.445 -0.016 1.00 0.00 C ATOM 395 C ARG A 28 10.400 -7.298 -0.797 1.00 0.00 C ATOM 396 O ARG A 28 10.720 -7.433 -1.979 1.00 0.00 O ATOM 397 CB ARG A 28 9.167 -9.465 -0.975 1.00 0.00 C ATOM 398 CG ARG A 28 8.951 -10.835 -0.352 1.00 0.00 C ATOM 399 CD ARG A 28 9.449 -11.947 -1.262 1.00 0.00 C ATOM 400 NE ARG A 28 8.570 -12.153 -2.410 1.00 0.00 N ATOM 401 CZ ARG A 28 8.624 -13.222 -3.202 1.00 0.00 C ATOM 402 NH1 ARG A 28 9.513 -14.180 -2.975 1.00 0.00 N ATOM 403 NH2 ARG A 28 7.787 -13.333 -4.225 1.00 0.00 N ATOM 0 H ARG A 28 8.876 -8.221 1.859 1.00 0.00 H new ATOM 0 HA ARG A 28 10.557 -8.949 0.564 1.00 0.00 H new ATOM 0 HB2 ARG A 28 8.211 -9.083 -1.332 1.00 0.00 H new ATOM 0 HB3 ARG A 28 9.814 -9.569 -1.846 1.00 0.00 H new ATOM 0 HG2 ARG A 28 9.471 -10.887 0.605 1.00 0.00 H new ATOM 0 HG3 ARG A 28 7.890 -10.979 -0.147 1.00 0.00 H new ATOM 0 HD2 ARG A 28 10.452 -11.706 -1.613 1.00 0.00 H new ATOM 0 HD3 ARG A 28 9.525 -12.874 -0.693 1.00 0.00 H new ATOM 0 HE ARG A 28 7.874 -11.436 -2.617 1.00 0.00 H new ATOM 0 HH11 ARG A 28 10.160 -14.100 -2.190 1.00 0.00 H new ATOM 0 HH12 ARG A 28 9.550 -14.997 -3.585 1.00 0.00 H new ATOM 0 HH21 ARG A 28 7.102 -12.599 -4.405 1.00 0.00 H new ATOM 0 HH22 ARG A 28 7.829 -14.152 -4.831 1.00 0.00 H new ATOM 417 N ALA A 29 10.532 -6.154 -0.132 1.00 0.00 N ATOM 418 CA ALA A 29 11.071 -4.966 -0.769 1.00 0.00 C ATOM 419 C ALA A 29 10.177 -4.575 -1.934 1.00 0.00 C ATOM 420 O ALA A 29 10.650 -4.087 -2.961 1.00 0.00 O ATOM 421 CB ALA A 29 12.496 -5.212 -1.242 1.00 0.00 C ATOM 0 H ALA A 29 10.272 -6.029 0.846 1.00 0.00 H new ATOM 0 HA ALA A 29 11.097 -4.149 -0.047 1.00 0.00 H new ATOM 0 HB1 ALA A 29 12.883 -4.310 -1.717 1.00 0.00 H new ATOM 0 HB2 ALA A 29 13.123 -5.470 -0.389 1.00 0.00 H new ATOM 0 HB3 ALA A 29 12.505 -6.032 -1.960 1.00 0.00 H new ATOM 427 N GLY A 30 8.876 -4.823 -1.775 1.00 0.00 N ATOM 428 CA GLY A 30 7.939 -4.519 -2.830 1.00 0.00 C ATOM 429 C GLY A 30 6.636 -3.900 -2.356 1.00 0.00 C ATOM 430 O GLY A 30 6.562 -3.321 -1.274 1.00 0.00 O ATOM 0 H GLY A 30 8.462 -5.228 -0.935 1.00 0.00 H new ATOM 0 HA2 GLY A 30 8.414 -3.838 -3.536 1.00 0.00 H new ATOM 0 HA3 GLY A 30 7.714 -5.436 -3.374 1.00 0.00 H new ATOM 434 N ASP A 31 5.615 -4.024 -3.201 1.00 0.00 N ATOM 435 CA ASP A 31 4.282 -3.486 -2.932 1.00 0.00 C ATOM 436 C ASP A 31 3.462 -4.418 -2.046 1.00 0.00 C ATOM 437 O ASP A 31 3.696 -4.486 -0.845 1.00 0.00 O ATOM 438 CB ASP A 31 3.569 -3.127 -4.245 1.00 0.00 C ATOM 439 CG ASP A 31 4.132 -3.850 -5.457 1.00 0.00 C ATOM 440 OD1 ASP A 31 3.872 -5.060 -5.603 1.00 0.00 O ATOM 441 OD2 ASP A 31 4.841 -3.204 -6.256 1.00 0.00 O ATOM 0 H ASP A 31 5.689 -4.504 -4.098 1.00 0.00 H new ATOM 0 HA ASP A 31 4.394 -2.562 -2.365 1.00 0.00 H new ATOM 0 HB2 ASP A 31 2.509 -3.364 -4.150 1.00 0.00 H new ATOM 0 HB3 ASP A 31 3.642 -2.052 -4.407 1.00 0.00 H new ATOM 446 N MET A 32 2.488 -5.103 -2.608 1.00 0.00 N ATOM 447 CA MET A 32 1.637 -5.970 -1.823 1.00 0.00 C ATOM 448 C MET A 32 1.998 -7.435 -2.004 1.00 0.00 C ATOM 449 O MET A 32 1.910 -7.986 -3.091 1.00 0.00 O ATOM 450 CB MET A 32 0.217 -5.704 -2.238 1.00 0.00 C ATOM 451 CG MET A 32 -0.327 -4.397 -1.687 1.00 0.00 C ATOM 452 SD MET A 32 -2.116 -4.264 -1.857 1.00 0.00 S ATOM 453 CE MET A 32 -2.628 -4.373 -0.144 1.00 0.00 C ATOM 0 H MET A 32 2.267 -5.076 -3.603 1.00 0.00 H new ATOM 0 HA MET A 32 1.771 -5.758 -0.762 1.00 0.00 H new ATOM 0 HB2 MET A 32 0.160 -5.685 -3.326 1.00 0.00 H new ATOM 0 HB3 MET A 32 -0.415 -6.525 -1.900 1.00 0.00 H new ATOM 0 HG2 MET A 32 -0.059 -4.311 -0.634 1.00 0.00 H new ATOM 0 HG3 MET A 32 0.146 -3.563 -2.206 1.00 0.00 H new ATOM 0 HE1 MET A 32 -3.624 -4.812 -0.089 1.00 0.00 H new ATOM 0 HE2 MET A 32 -1.925 -4.998 0.407 1.00 0.00 H new ATOM 0 HE3 MET A 32 -2.647 -3.375 0.294 1.00 0.00 H new ATOM 463 N ILE A 33 2.458 -8.045 -0.939 1.00 0.00 N ATOM 464 CA ILE A 33 2.895 -9.417 -0.981 1.00 0.00 C ATOM 465 C ILE A 33 1.858 -10.378 -0.414 1.00 0.00 C ATOM 466 O ILE A 33 1.380 -10.207 0.703 1.00 0.00 O ATOM 467 CB ILE A 33 4.213 -9.523 -0.201 1.00 0.00 C ATOM 468 CG1 ILE A 33 5.187 -10.474 -0.897 1.00 0.00 C ATOM 469 CG2 ILE A 33 3.949 -9.928 1.239 1.00 0.00 C ATOM 470 CD1 ILE A 33 5.157 -11.877 -0.361 1.00 0.00 C ATOM 0 H ILE A 33 2.539 -7.605 -0.022 1.00 0.00 H new ATOM 0 HA ILE A 33 3.039 -9.706 -2.022 1.00 0.00 H new ATOM 0 HB ILE A 33 4.686 -8.541 -0.183 1.00 0.00 H new ATOM 0 HG12 ILE A 33 4.957 -10.498 -1.962 1.00 0.00 H new ATOM 0 HG13 ILE A 33 6.198 -10.079 -0.798 1.00 0.00 H new ATOM 0 HG21 ILE A 33 4.895 -9.998 1.776 1.00 0.00 H new ATOM 0 HG22 ILE A 33 3.315 -9.181 1.717 1.00 0.00 H new ATOM 0 HG23 ILE A 33 3.448 -10.896 1.259 1.00 0.00 H new ATOM 0 HD11 ILE A 33 5.875 -12.490 -0.906 1.00 0.00 H new ATOM 0 HD12 ILE A 33 5.417 -11.868 0.697 1.00 0.00 H new ATOM 0 HD13 ILE A 33 4.157 -12.293 -0.485 1.00 0.00 H new ATOM 482 N CYS A 34 1.535 -11.405 -1.185 1.00 0.00 N ATOM 483 CA CYS A 34 0.585 -12.406 -0.746 1.00 0.00 C ATOM 484 C CYS A 34 1.298 -13.434 0.122 1.00 0.00 C ATOM 485 O CYS A 34 1.929 -14.338 -0.403 1.00 0.00 O ATOM 486 CB CYS A 34 -0.034 -13.104 -1.949 1.00 0.00 C ATOM 487 SG CYS A 34 -1.302 -14.318 -1.534 1.00 0.00 S ATOM 0 H CYS A 34 1.918 -11.564 -2.117 1.00 0.00 H new ATOM 0 HA CYS A 34 -0.203 -11.920 -0.171 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -0.470 -12.351 -2.606 1.00 0.00 H new ATOM 0 HB3 CYS A 34 0.756 -13.600 -2.513 1.00 0.00 H new ATOM 0 HG CYS A 34 -2.317 -13.716 -0.989 1.00 0.00 H new ATOM 493 N PRO A 35 1.199 -13.327 1.458 1.00 0.00 N ATOM 494 CA PRO A 35 1.852 -14.252 2.390 1.00 0.00 C ATOM 495 C PRO A 35 1.807 -15.711 1.941 1.00 0.00 C ATOM 496 O PRO A 35 2.587 -16.537 2.414 1.00 0.00 O ATOM 497 CB PRO A 35 1.065 -14.069 3.699 1.00 0.00 C ATOM 498 CG PRO A 35 -0.012 -13.070 3.401 1.00 0.00 C ATOM 499 CD PRO A 35 0.430 -12.316 2.180 1.00 0.00 C ATOM 0 HA PRO A 35 2.916 -14.030 2.475 1.00 0.00 H new ATOM 0 HB2 PRO A 35 0.638 -15.015 4.032 1.00 0.00 H new ATOM 0 HB3 PRO A 35 1.715 -13.714 4.498 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -0.965 -13.568 3.225 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -0.157 -12.393 4.243 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -0.416 -11.954 1.596 1.00 0.00 H new ATOM 0 HD3 PRO A 35 1.037 -11.447 2.435 1.00 0.00 H new ATOM 507 N GLU A 36 0.874 -16.029 1.059 1.00 0.00 N ATOM 508 CA GLU A 36 0.705 -17.388 0.583 1.00 0.00 C ATOM 509 C GLU A 36 1.589 -17.673 -0.626 1.00 0.00 C ATOM 510 O GLU A 36 2.529 -18.458 -0.542 1.00 0.00 O ATOM 511 CB GLU A 36 -0.763 -17.620 0.240 1.00 0.00 C ATOM 512 CG GLU A 36 -1.604 -18.052 1.431 1.00 0.00 C ATOM 513 CD GLU A 36 -1.314 -19.476 1.862 1.00 0.00 C ATOM 514 OE1 GLU A 36 -0.182 -19.948 1.629 1.00 0.00 O ATOM 515 OE2 GLU A 36 -2.219 -20.119 2.433 1.00 0.00 O ATOM 0 H GLU A 36 0.219 -15.358 0.657 1.00 0.00 H new ATOM 0 HA GLU A 36 1.010 -18.074 1.373 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -1.180 -16.703 -0.175 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -0.830 -18.381 -0.537 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -1.417 -17.378 2.267 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -2.660 -17.961 1.178 1.00 0.00 H new ATOM 522 N CYS A 37 1.330 -16.991 -1.734 1.00 0.00 N ATOM 523 CA CYS A 37 2.157 -17.165 -2.926 1.00 0.00 C ATOM 524 C CYS A 37 3.287 -16.166 -2.852 1.00 0.00 C ATOM 525 O CYS A 37 4.325 -16.311 -3.493 1.00 0.00 O ATOM 526 CB CYS A 37 1.357 -16.959 -4.219 1.00 0.00 C ATOM 527 SG CYS A 37 0.363 -15.452 -4.257 1.00 0.00 S ATOM 0 H CYS A 37 0.567 -16.322 -1.835 1.00 0.00 H new ATOM 0 HA CYS A 37 2.536 -18.187 -2.951 1.00 0.00 H new ATOM 0 HB2 CYS A 37 2.050 -16.943 -5.060 1.00 0.00 H new ATOM 0 HB3 CYS A 37 0.699 -17.816 -4.364 1.00 0.00 H new ATOM 0 HG CYS A 37 -0.163 -15.250 -3.086 1.00 0.00 H new ATOM 533 N GLY A 38 3.048 -15.155 -2.036 1.00 0.00 N ATOM 534 CA GLY A 38 3.990 -14.102 -1.808 1.00 0.00 C ATOM 535 C GLY A 38 4.210 -13.245 -3.024 1.00 0.00 C ATOM 536 O GLY A 38 5.293 -12.701 -3.234 1.00 0.00 O ATOM 0 H GLY A 38 2.179 -15.052 -1.512 1.00 0.00 H new ATOM 0 HA2 GLY A 38 3.638 -13.477 -0.987 1.00 0.00 H new ATOM 0 HA3 GLY A 38 4.941 -14.533 -1.495 1.00 0.00 H new ATOM 540 N LEU A 39 3.161 -13.109 -3.814 1.00 0.00 N ATOM 541 CA LEU A 39 3.206 -12.296 -5.005 1.00 0.00 C ATOM 542 C LEU A 39 3.262 -10.826 -4.608 1.00 0.00 C ATOM 543 O LEU A 39 2.860 -10.475 -3.499 1.00 0.00 O ATOM 544 CB LEU A 39 1.974 -12.582 -5.869 1.00 0.00 C ATOM 545 CG LEU A 39 0.776 -11.658 -5.628 1.00 0.00 C ATOM 546 CD1 LEU A 39 0.647 -10.675 -6.769 1.00 0.00 C ATOM 547 CD2 LEU A 39 -0.507 -12.456 -5.454 1.00 0.00 C ATOM 0 H LEU A 39 2.261 -13.558 -3.646 1.00 0.00 H new ATOM 0 HA LEU A 39 4.096 -12.535 -5.587 1.00 0.00 H new ATOM 0 HB2 LEU A 39 2.262 -12.510 -6.918 1.00 0.00 H new ATOM 0 HB3 LEU A 39 1.659 -13.611 -5.694 1.00 0.00 H new ATOM 0 HG LEU A 39 0.946 -11.105 -4.704 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -0.207 -10.021 -6.591 1.00 0.00 H new ATOM 0 HD12 LEU A 39 1.555 -10.076 -6.837 1.00 0.00 H new ATOM 0 HD13 LEU A 39 0.500 -11.218 -7.702 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -1.340 -11.774 -5.285 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -0.696 -13.042 -6.353 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -0.406 -13.125 -4.599 1.00 0.00 H new ATOM 559 N VAL A 40 3.800 -9.989 -5.487 1.00 0.00 N ATOM 560 CA VAL A 40 3.937 -8.572 -5.199 1.00 0.00 C ATOM 561 C VAL A 40 3.144 -7.721 -6.182 1.00 0.00 C ATOM 562 O VAL A 40 3.392 -7.754 -7.387 1.00 0.00 O ATOM 563 CB VAL A 40 5.416 -8.136 -5.226 1.00 0.00 C ATOM 564 CG1 VAL A 40 5.581 -6.782 -4.558 1.00 0.00 C ATOM 565 CG2 VAL A 40 6.303 -9.177 -4.554 1.00 0.00 C ATOM 0 H VAL A 40 4.148 -10.270 -6.404 1.00 0.00 H new ATOM 0 HA VAL A 40 3.537 -8.416 -4.197 1.00 0.00 H new ATOM 0 HB VAL A 40 5.727 -8.050 -6.267 1.00 0.00 H new ATOM 0 HG11 VAL A 40 6.630 -6.488 -4.585 1.00 0.00 H new ATOM 0 HG12 VAL A 40 4.983 -6.040 -5.087 1.00 0.00 H new ATOM 0 HG13 VAL A 40 5.248 -6.845 -3.522 1.00 0.00 H new ATOM 0 HG21 VAL A 40 7.341 -8.846 -4.586 1.00 0.00 H new ATOM 0 HG22 VAL A 40 5.994 -9.303 -3.516 1.00 0.00 H new ATOM 0 HG23 VAL A 40 6.209 -10.128 -5.078 1.00 0.00 H new ATOM 575 N VAL A 41 2.202 -6.941 -5.658 1.00 0.00 N ATOM 576 CA VAL A 41 1.389 -6.061 -6.488 1.00 0.00 C ATOM 577 C VAL A 41 1.316 -4.661 -5.881 1.00 0.00 C ATOM 578 O VAL A 41 1.076 -4.510 -4.689 1.00 0.00 O ATOM 579 CB VAL A 41 -0.062 -6.568 -6.651 1.00 0.00 C ATOM 580 CG1 VAL A 41 -0.938 -5.517 -7.320 1.00 0.00 C ATOM 581 CG2 VAL A 41 -0.105 -7.861 -7.437 1.00 0.00 C ATOM 0 H VAL A 41 1.984 -6.902 -4.662 1.00 0.00 H new ATOM 0 HA VAL A 41 1.875 -6.044 -7.464 1.00 0.00 H new ATOM 0 HB VAL A 41 -0.454 -6.760 -5.652 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -1.953 -5.901 -7.422 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -0.951 -4.613 -6.711 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -0.538 -5.284 -8.307 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -1.139 -8.193 -7.535 1.00 0.00 H new ATOM 0 HG22 VAL A 41 0.320 -7.699 -8.428 1.00 0.00 H new ATOM 0 HG23 VAL A 41 0.473 -8.624 -6.915 1.00 0.00 H new ATOM 591 N GLY A 42 1.501 -3.647 -6.714 1.00 0.00 N ATOM 592 CA GLY A 42 1.426 -2.284 -6.241 1.00 0.00 C ATOM 593 C GLY A 42 2.550 -1.427 -6.773 1.00 0.00 C ATOM 594 O GLY A 42 3.318 -1.866 -7.626 1.00 0.00 O ATOM 0 H GLY A 42 1.702 -3.746 -7.709 1.00 0.00 H new ATOM 0 HA2 GLY A 42 0.471 -1.851 -6.538 1.00 0.00 H new ATOM 0 HA3 GLY A 42 1.453 -2.278 -5.151 1.00 0.00 H new ATOM 598 N ASP A 43 2.643 -0.202 -6.269 1.00 0.00 N ATOM 599 CA ASP A 43 3.676 0.737 -6.696 1.00 0.00 C ATOM 600 C ASP A 43 3.255 1.450 -7.977 1.00 0.00 C ATOM 601 O ASP A 43 3.376 0.904 -9.073 1.00 0.00 O ATOM 602 CB ASP A 43 5.019 0.028 -6.905 1.00 0.00 C ATOM 603 CG ASP A 43 6.198 0.890 -6.495 1.00 0.00 C ATOM 604 OD1 ASP A 43 6.154 2.114 -6.745 1.00 0.00 O ATOM 605 OD2 ASP A 43 7.164 0.343 -5.925 1.00 0.00 O ATOM 0 H ASP A 43 2.011 0.167 -5.559 1.00 0.00 H new ATOM 0 HA ASP A 43 3.801 1.476 -5.904 1.00 0.00 H new ATOM 0 HB2 ASP A 43 5.032 -0.898 -6.329 1.00 0.00 H new ATOM 0 HB3 ASP A 43 5.122 -0.248 -7.954 1.00 0.00 H new ATOM 610 N ARG A 44 2.756 2.673 -7.827 1.00 0.00 N ATOM 611 CA ARG A 44 2.309 3.470 -8.965 1.00 0.00 C ATOM 612 C ARG A 44 3.400 3.575 -10.027 1.00 0.00 C ATOM 613 O ARG A 44 3.134 3.433 -11.220 1.00 0.00 O ATOM 614 CB ARG A 44 1.900 4.871 -8.503 1.00 0.00 C ATOM 615 CG ARG A 44 0.585 4.903 -7.739 1.00 0.00 C ATOM 616 CD ARG A 44 0.774 5.409 -6.318 1.00 0.00 C ATOM 617 NE ARG A 44 -0.502 5.641 -5.643 1.00 0.00 N ATOM 618 CZ ARG A 44 -1.251 6.727 -5.825 1.00 0.00 C ATOM 619 NH1 ARG A 44 -0.856 7.682 -6.658 1.00 0.00 N ATOM 620 NH2 ARG A 44 -2.398 6.858 -5.174 1.00 0.00 N ATOM 0 H ARG A 44 2.651 3.136 -6.924 1.00 0.00 H new ATOM 0 HA ARG A 44 1.447 2.969 -9.406 1.00 0.00 H new ATOM 0 HB2 ARG A 44 2.688 5.280 -7.870 1.00 0.00 H new ATOM 0 HB3 ARG A 44 1.820 5.522 -9.373 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -0.125 5.544 -8.262 1.00 0.00 H new ATOM 0 HG3 ARG A 44 0.153 3.902 -7.715 1.00 0.00 H new ATOM 0 HD2 ARG A 44 1.358 4.684 -5.750 1.00 0.00 H new ATOM 0 HD3 ARG A 44 1.348 6.336 -6.337 1.00 0.00 H new ATOM 0 HE ARG A 44 -0.838 4.929 -4.995 1.00 0.00 H new ATOM 0 HH11 ARG A 44 0.025 7.586 -7.163 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -1.434 8.512 -6.794 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -2.707 6.127 -4.533 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -2.971 7.690 -5.314 1.00 0.00 H new ATOM 634 N VAL A 45 4.629 3.824 -9.584 1.00 0.00 N ATOM 635 CA VAL A 45 5.761 3.950 -10.494 1.00 0.00 C ATOM 636 C VAL A 45 5.637 5.207 -11.350 1.00 0.00 C ATOM 637 O VAL A 45 6.076 5.234 -12.500 1.00 0.00 O ATOM 638 CB VAL A 45 5.887 2.721 -11.417 1.00 0.00 C ATOM 639 CG1 VAL A 45 7.192 2.769 -12.198 1.00 0.00 C ATOM 640 CG2 VAL A 45 5.788 1.431 -10.613 1.00 0.00 C ATOM 0 H VAL A 45 4.866 3.942 -8.599 1.00 0.00 H new ATOM 0 HA VAL A 45 6.656 4.019 -9.876 1.00 0.00 H new ATOM 0 HB VAL A 45 5.062 2.742 -12.129 1.00 0.00 H new ATOM 0 HG11 VAL A 45 7.262 1.893 -12.843 1.00 0.00 H new ATOM 0 HG12 VAL A 45 7.218 3.672 -12.808 1.00 0.00 H new ATOM 0 HG13 VAL A 45 8.032 2.776 -11.503 1.00 0.00 H new ATOM 0 HG21 VAL A 45 5.879 0.576 -11.283 1.00 0.00 H new ATOM 0 HG22 VAL A 45 6.589 1.400 -9.875 1.00 0.00 H new ATOM 0 HG23 VAL A 45 4.825 1.392 -10.105 1.00 0.00 H new ATOM 650 N ILE A 46 5.038 6.246 -10.778 1.00 0.00 N ATOM 651 CA ILE A 46 4.856 7.508 -11.486 1.00 0.00 C ATOM 652 C ILE A 46 5.786 8.584 -10.936 1.00 0.00 C ATOM 653 O ILE A 46 6.046 8.639 -9.734 1.00 0.00 O ATOM 654 CB ILE A 46 3.400 8.004 -11.384 1.00 0.00 C ATOM 655 CG1 ILE A 46 2.428 6.888 -11.770 1.00 0.00 C ATOM 656 CG2 ILE A 46 3.192 9.223 -12.269 1.00 0.00 C ATOM 657 CD1 ILE A 46 0.974 7.292 -11.671 1.00 0.00 C ATOM 0 H ILE A 46 4.670 6.239 -9.827 1.00 0.00 H new ATOM 0 HA ILE A 46 5.097 7.322 -12.533 1.00 0.00 H new ATOM 0 HB ILE A 46 3.202 8.291 -10.351 1.00 0.00 H new ATOM 0 HG12 ILE A 46 2.640 6.570 -12.791 1.00 0.00 H new ATOM 0 HG13 ILE A 46 2.602 6.027 -11.125 1.00 0.00 H new ATOM 0 HG21 ILE A 46 2.159 9.561 -12.186 1.00 0.00 H new ATOM 0 HG22 ILE A 46 3.862 10.022 -11.951 1.00 0.00 H new ATOM 0 HG23 ILE A 46 3.406 8.961 -13.305 1.00 0.00 H new ATOM 0 HD11 ILE A 46 0.342 6.452 -11.959 1.00 0.00 H new ATOM 0 HD12 ILE A 46 0.746 7.582 -10.645 1.00 0.00 H new ATOM 0 HD13 ILE A 46 0.784 8.134 -12.337 1.00 0.00 H new ATOM 669 N ASP A 47 6.287 9.436 -11.824 1.00 0.00 N ATOM 670 CA ASP A 47 7.190 10.511 -11.427 1.00 0.00 C ATOM 671 C ASP A 47 6.525 11.876 -11.586 1.00 0.00 C ATOM 672 O ASP A 47 6.873 12.830 -10.891 1.00 0.00 O ATOM 673 CB ASP A 47 8.475 10.460 -12.256 1.00 0.00 C ATOM 674 CG ASP A 47 9.071 9.066 -12.315 1.00 0.00 C ATOM 675 OD1 ASP A 47 8.592 8.251 -13.131 1.00 0.00 O ATOM 676 OD2 ASP A 47 10.015 8.791 -11.547 1.00 0.00 O ATOM 0 H ASP A 47 6.083 9.403 -12.823 1.00 0.00 H new ATOM 0 HA ASP A 47 7.436 10.369 -10.375 1.00 0.00 H new ATOM 0 HB2 ASP A 47 8.265 10.805 -13.268 1.00 0.00 H new ATOM 0 HB3 ASP A 47 9.206 11.147 -11.830 1.00 0.00 H new ATOM 681 N VAL A 48 5.567 11.962 -12.506 1.00 0.00 N ATOM 682 CA VAL A 48 4.857 13.211 -12.755 1.00 0.00 C ATOM 683 C VAL A 48 4.235 13.759 -11.473 1.00 0.00 C ATOM 684 O VAL A 48 3.842 13.000 -10.587 1.00 0.00 O ATOM 685 CB VAL A 48 3.753 13.028 -13.816 1.00 0.00 C ATOM 686 CG1 VAL A 48 2.709 12.028 -13.340 1.00 0.00 C ATOM 687 CG2 VAL A 48 3.109 14.366 -14.154 1.00 0.00 C ATOM 0 H VAL A 48 5.266 11.182 -13.090 1.00 0.00 H new ATOM 0 HA VAL A 48 5.593 13.924 -13.128 1.00 0.00 H new ATOM 0 HB VAL A 48 4.210 12.632 -14.723 1.00 0.00 H new ATOM 0 HG11 VAL A 48 1.940 11.914 -14.104 1.00 0.00 H new ATOM 0 HG12 VAL A 48 3.185 11.064 -13.158 1.00 0.00 H new ATOM 0 HG13 VAL A 48 2.254 12.388 -12.417 1.00 0.00 H new ATOM 0 HG21 VAL A 48 2.332 14.217 -14.904 1.00 0.00 H new ATOM 0 HG22 VAL A 48 2.667 14.795 -13.255 1.00 0.00 H new ATOM 0 HG23 VAL A 48 3.866 15.046 -14.545 1.00 0.00 H new ATOM 697 N GLY A 49 4.150 15.082 -11.384 1.00 0.00 N ATOM 698 CA GLY A 49 3.574 15.712 -10.210 1.00 0.00 C ATOM 699 C GLY A 49 3.126 17.134 -10.479 1.00 0.00 C ATOM 700 O GLY A 49 3.551 17.753 -11.455 1.00 0.00 O ATOM 0 H GLY A 49 4.470 15.730 -12.104 1.00 0.00 H new ATOM 0 HA2 GLY A 49 2.723 15.124 -9.867 1.00 0.00 H new ATOM 0 HA3 GLY A 49 4.308 15.711 -9.404 1.00 0.00 H new ATOM 704 N SER A 50 2.265 17.656 -9.611 1.00 0.00 N ATOM 705 CA SER A 50 1.758 19.016 -9.762 1.00 0.00 C ATOM 706 C SER A 50 0.886 19.408 -8.573 1.00 0.00 C ATOM 707 O SER A 50 -0.195 19.973 -8.741 1.00 0.00 O ATOM 708 CB SER A 50 0.959 19.142 -11.061 1.00 0.00 C ATOM 709 OG SER A 50 0.841 20.498 -11.457 1.00 0.00 O ATOM 0 H SER A 50 1.904 17.159 -8.797 1.00 0.00 H new ATOM 0 HA SER A 50 2.611 19.693 -9.801 1.00 0.00 H new ATOM 0 HB2 SER A 50 1.448 18.571 -11.850 1.00 0.00 H new ATOM 0 HB3 SER A 50 -0.033 18.712 -10.925 1.00 0.00 H new ATOM 0 HG SER A 50 0.441 21.018 -10.729 1.00 0.00 H new ATOM 715 N GLU A 51 1.365 19.106 -7.370 1.00 0.00 N ATOM 716 CA GLU A 51 0.628 19.428 -6.152 1.00 0.00 C ATOM 717 C GLU A 51 1.324 20.537 -5.363 1.00 0.00 C ATOM 718 O GLU A 51 1.039 20.740 -4.183 1.00 0.00 O ATOM 719 CB GLU A 51 0.478 18.179 -5.280 1.00 0.00 C ATOM 720 CG GLU A 51 -0.952 17.671 -5.190 1.00 0.00 C ATOM 721 CD GLU A 51 -1.341 17.269 -3.781 1.00 0.00 C ATOM 722 OE1 GLU A 51 -0.649 16.409 -3.196 1.00 0.00 O ATOM 723 OE2 GLU A 51 -2.338 17.815 -3.261 1.00 0.00 O ATOM 0 H GLU A 51 2.258 18.640 -7.212 1.00 0.00 H new ATOM 0 HA GLU A 51 -0.361 19.785 -6.440 1.00 0.00 H new ATOM 0 HB2 GLU A 51 1.112 17.388 -5.680 1.00 0.00 H new ATOM 0 HB3 GLU A 51 0.840 18.401 -4.276 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -1.632 18.446 -5.543 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -1.072 16.815 -5.854 1.00 0.00 H new ATOM 730 N TRP A 52 2.234 21.254 -6.021 1.00 0.00 N ATOM 731 CA TRP A 52 2.966 22.342 -5.378 1.00 0.00 C ATOM 732 C TRP A 52 3.854 21.817 -4.253 1.00 0.00 C ATOM 733 O TRP A 52 5.072 21.717 -4.407 1.00 0.00 O ATOM 734 CB TRP A 52 1.992 23.390 -4.832 1.00 0.00 C ATOM 735 CG TRP A 52 1.791 24.551 -5.758 1.00 0.00 C ATOM 736 CD1 TRP A 52 2.674 25.561 -6.009 1.00 0.00 C ATOM 737 CD2 TRP A 52 0.632 24.821 -6.554 1.00 0.00 C ATOM 738 NE1 TRP A 52 2.135 26.443 -6.914 1.00 0.00 N ATOM 739 CE2 TRP A 52 0.883 26.011 -7.265 1.00 0.00 C ATOM 740 CE3 TRP A 52 -0.593 24.172 -6.738 1.00 0.00 C ATOM 741 CZ2 TRP A 52 -0.046 26.565 -8.142 1.00 0.00 C ATOM 742 CZ3 TRP A 52 -1.514 24.724 -7.610 1.00 0.00 C ATOM 743 CH2 TRP A 52 -1.236 25.909 -8.302 1.00 0.00 C ATOM 0 H TRP A 52 2.481 21.100 -6.999 1.00 0.00 H new ATOM 0 HA TRP A 52 3.605 22.807 -6.129 1.00 0.00 H new ATOM 0 HB2 TRP A 52 1.029 22.916 -4.640 1.00 0.00 H new ATOM 0 HB3 TRP A 52 2.363 23.757 -3.875 1.00 0.00 H new ATOM 0 HD1 TRP A 52 3.653 25.653 -5.562 1.00 0.00 H new ATOM 0 HE1 TRP A 52 2.593 27.283 -7.267 1.00 0.00 H new ATOM 0 HE3 TRP A 52 -0.816 23.257 -6.209 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 0.165 27.479 -8.677 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 -2.464 24.232 -7.760 1.00 0.00 H new ATOM 0 HH2 TRP A 52 -1.976 26.314 -8.976 1.00 0.00 H new ATOM 754 N ARG A 53 3.237 21.483 -3.124 1.00 0.00 N ATOM 755 CA ARG A 53 3.971 20.968 -1.972 1.00 0.00 C ATOM 756 C ARG A 53 4.915 22.027 -1.409 1.00 0.00 C ATOM 757 O ARG A 53 6.102 22.048 -1.729 1.00 0.00 O ATOM 758 CB ARG A 53 4.761 19.714 -2.358 1.00 0.00 C ATOM 759 CG ARG A 53 4.065 18.417 -1.977 1.00 0.00 C ATOM 760 CD ARG A 53 4.780 17.713 -0.834 1.00 0.00 C ATOM 761 NE ARG A 53 4.688 16.259 -0.943 1.00 0.00 N ATOM 762 CZ ARG A 53 5.092 15.417 0.005 1.00 0.00 C ATOM 763 NH1 ARG A 53 5.616 15.880 1.134 1.00 0.00 N ATOM 764 NH2 ARG A 53 4.972 14.109 -0.175 1.00 0.00 N ATOM 0 H ARG A 53 2.230 21.560 -2.982 1.00 0.00 H new ATOM 0 HA ARG A 53 3.247 20.707 -1.201 1.00 0.00 H new ATOM 0 HB2 ARG A 53 4.935 19.721 -3.434 1.00 0.00 H new ATOM 0 HB3 ARG A 53 5.738 19.748 -1.877 1.00 0.00 H new ATOM 0 HG2 ARG A 53 3.035 18.627 -1.688 1.00 0.00 H new ATOM 0 HG3 ARG A 53 4.025 17.757 -2.843 1.00 0.00 H new ATOM 0 HD2 ARG A 53 5.829 18.010 -0.825 1.00 0.00 H new ATOM 0 HD3 ARG A 53 4.350 18.033 0.115 1.00 0.00 H new ATOM 0 HE ARG A 53 4.291 15.866 -1.796 1.00 0.00 H new ATOM 0 HH11 ARG A 53 5.710 16.885 1.278 1.00 0.00 H new ATOM 0 HH12 ARG A 53 5.924 15.230 1.857 1.00 0.00 H new ATOM 0 HH21 ARG A 53 4.570 13.748 -1.040 1.00 0.00 H new ATOM 0 HH22 ARG A 53 5.282 13.464 0.552 1.00 0.00 H new ATOM 778 N THR A 54 4.376 22.904 -0.567 1.00 0.00 N ATOM 779 CA THR A 54 5.168 23.966 0.043 1.00 0.00 C ATOM 780 C THR A 54 4.736 24.203 1.487 1.00 0.00 C ATOM 781 O THR A 54 3.795 23.577 1.974 1.00 0.00 O ATOM 782 CB THR A 54 5.033 25.259 -0.761 1.00 0.00 C ATOM 783 OG1 THR A 54 4.651 24.982 -2.097 1.00 0.00 O ATOM 784 CG2 THR A 54 6.310 26.070 -0.809 1.00 0.00 C ATOM 0 H THR A 54 3.394 22.900 -0.292 1.00 0.00 H new ATOM 0 HA THR A 54 6.212 23.654 0.040 1.00 0.00 H new ATOM 0 HB THR A 54 4.270 25.841 -0.244 1.00 0.00 H new ATOM 0 HG1 THR A 54 4.568 25.822 -2.595 1.00 0.00 H new ATOM 0 HG21 THR A 54 6.145 26.974 -1.395 1.00 0.00 H new ATOM 0 HG22 THR A 54 6.606 26.343 0.204 1.00 0.00 H new ATOM 0 HG23 THR A 54 7.100 25.478 -1.271 1.00 0.00 H new ATOM 792 N PHE A 55 5.429 25.112 2.166 1.00 0.00 N ATOM 793 CA PHE A 55 5.115 25.431 3.553 1.00 0.00 C ATOM 794 C PHE A 55 5.351 26.910 3.845 1.00 0.00 C ATOM 795 O PHE A 55 5.535 27.302 4.999 1.00 0.00 O ATOM 796 CB PHE A 55 5.958 24.573 4.498 1.00 0.00 C ATOM 797 CG PHE A 55 7.434 24.823 4.381 1.00 0.00 C ATOM 798 CD1 PHE A 55 8.106 24.543 3.203 1.00 0.00 C ATOM 799 CD2 PHE A 55 8.149 25.340 5.451 1.00 0.00 C ATOM 800 CE1 PHE A 55 9.465 24.773 3.093 1.00 0.00 C ATOM 801 CE2 PHE A 55 9.507 25.571 5.346 1.00 0.00 C ATOM 802 CZ PHE A 55 10.166 25.288 4.166 1.00 0.00 C ATOM 0 H PHE A 55 6.211 25.640 1.778 1.00 0.00 H new ATOM 0 HA PHE A 55 4.059 25.214 3.716 1.00 0.00 H new ATOM 0 HB2 PHE A 55 5.646 24.764 5.525 1.00 0.00 H new ATOM 0 HB3 PHE A 55 5.759 23.521 4.295 1.00 0.00 H new ATOM 0 HD1 PHE A 55 7.563 24.141 2.361 1.00 0.00 H new ATOM 0 HD2 PHE A 55 7.639 25.564 6.376 1.00 0.00 H new ATOM 0 HE1 PHE A 55 9.978 24.550 2.169 1.00 0.00 H new ATOM 0 HE2 PHE A 55 10.053 25.973 6.187 1.00 0.00 H new ATOM 0 HZ PHE A 55 11.227 25.469 4.082 1.00 0.00 H new ATOM 812 N SER A 56 5.346 27.730 2.797 1.00 0.00 N ATOM 813 CA SER A 56 5.558 29.166 2.947 1.00 0.00 C ATOM 814 C SER A 56 6.845 29.454 3.717 1.00 0.00 C ATOM 815 O SER A 56 7.658 28.557 3.945 1.00 0.00 O ATOM 816 CB SER A 56 4.368 29.807 3.662 1.00 0.00 C ATOM 817 OG SER A 56 3.177 29.077 3.425 1.00 0.00 O ATOM 0 H SER A 56 5.197 27.424 1.835 1.00 0.00 H new ATOM 0 HA SER A 56 5.651 29.598 1.950 1.00 0.00 H new ATOM 0 HB2 SER A 56 4.564 29.851 4.733 1.00 0.00 H new ATOM 0 HB3 SER A 56 4.243 30.834 3.318 1.00 0.00 H new ATOM 0 HG SER A 56 2.431 29.506 3.894 1.00 0.00 H new ATOM 823 N ASN A 57 7.022 30.708 4.117 1.00 0.00 N ATOM 824 CA ASN A 57 8.208 31.114 4.863 1.00 0.00 C ATOM 825 C ASN A 57 7.839 31.538 6.280 1.00 0.00 C ATOM 826 O ASN A 57 6.663 31.570 6.643 1.00 0.00 O ATOM 827 CB ASN A 57 8.922 32.260 4.144 1.00 0.00 C ATOM 828 CG ASN A 57 10.423 32.231 4.355 1.00 0.00 C ATOM 829 OD1 ASN A 57 10.994 31.192 4.689 1.00 0.00 O ATOM 830 ND2 ASN A 57 11.070 33.373 4.162 1.00 0.00 N ATOM 0 H ASN A 57 6.359 31.462 3.937 1.00 0.00 H new ATOM 0 HA ASN A 57 8.880 30.258 4.922 1.00 0.00 H new ATOM 0 HB2 ASN A 57 8.707 32.205 3.077 1.00 0.00 H new ATOM 0 HB3 ASN A 57 8.526 33.211 4.500 1.00 0.00 H new ATOM 0 HD21 ASN A 57 12.081 33.414 4.290 1.00 0.00 H new ATOM 0 HD22 ASN A 57 10.556 34.210 3.886 1.00 0.00 H new ATOM 837 N ASP A 58 8.851 31.864 7.078 1.00 0.00 N ATOM 838 CA ASP A 58 8.631 32.288 8.456 1.00 0.00 C ATOM 839 C ASP A 58 7.767 33.543 8.508 1.00 0.00 C ATOM 840 O ASP A 58 6.656 33.522 9.040 1.00 0.00 O ATOM 841 CB ASP A 58 9.969 32.547 9.152 1.00 0.00 C ATOM 842 CG ASP A 58 9.908 32.277 10.642 1.00 0.00 C ATOM 843 OD1 ASP A 58 10.107 31.110 11.042 1.00 0.00 O ATOM 844 OD2 ASP A 58 9.660 33.231 11.409 1.00 0.00 O ATOM 0 H ASP A 58 9.831 31.843 6.794 1.00 0.00 H new ATOM 0 HA ASP A 58 8.107 31.486 8.977 1.00 0.00 H new ATOM 0 HB2 ASP A 58 10.737 31.917 8.703 1.00 0.00 H new ATOM 0 HB3 ASP A 58 10.268 33.582 8.985 1.00 0.00 H new ATOM 849 N LYS A 59 8.281 34.634 7.952 1.00 0.00 N ATOM 850 CA LYS A 59 7.555 35.899 7.935 1.00 0.00 C ATOM 851 C LYS A 59 6.509 35.910 6.826 1.00 0.00 C ATOM 852 O LYS A 59 6.694 35.179 5.831 1.00 0.00 O ATOM 853 CB LYS A 59 8.528 37.066 7.747 1.00 0.00 C ATOM 854 CG LYS A 59 9.228 37.485 9.029 1.00 0.00 C ATOM 855 CD LYS A 59 10.673 37.881 8.772 1.00 0.00 C ATOM 856 CE LYS A 59 11.617 36.707 8.986 1.00 0.00 C ATOM 857 NZ LYS A 59 11.858 35.951 7.727 1.00 0.00 N ATOM 0 H LYS A 59 9.198 34.668 7.507 1.00 0.00 H new ATOM 0 HA LYS A 59 7.045 36.011 8.892 1.00 0.00 H new ATOM 0 HB2 LYS A 59 9.278 36.787 7.007 1.00 0.00 H new ATOM 0 HB3 LYS A 59 7.984 37.920 7.343 1.00 0.00 H new ATOM 0 HG2 LYS A 59 8.695 38.323 9.479 1.00 0.00 H new ATOM 0 HG3 LYS A 59 9.197 36.665 9.746 1.00 0.00 H new ATOM 0 HD2 LYS A 59 10.775 38.250 7.751 1.00 0.00 H new ATOM 0 HD3 LYS A 59 10.951 38.699 9.436 1.00 0.00 H new ATOM 0 HE2 LYS A 59 12.567 37.072 9.378 1.00 0.00 H new ATOM 0 HE3 LYS A 59 11.199 36.037 9.737 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 12.882 35.867 7.563 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 11.441 35.002 7.807 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 11.420 36.456 6.930 1.00 0.00 H new TER 871 LYS A 59