USER MOD reduce.3.24.130724 H: found=0, std=0, add=419, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 419 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 30 ASN : amide:sc= -0.682 X(o=-0.68,f=-0.36) USER MOD Set 1.2: A 51 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 15 SER OG : rot -140:sc= -0.556 USER MOD Set 2.2: A 57 GLN : amide:sc= -0.553 K(o=-1.1,f=2) USER MOD Set 3.1: A 10 SER OG : rot 180:sc= -0.791 USER MOD Set 3.2: A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 ALA N :NH3+ -155:sc= 0.0633 (180deg=0.00595) USER MOD Single : A 2 GLN : amide:sc= 0 K(o=0,f=-0.53) USER MOD Single : A 6 LYS NZ :NH3+ -147:sc= -0.0509 (180deg=-0.957) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 27 ASN : amide:sc= -1.48! K(o=-1.5!,f=-0.68) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 THR OG1 : rot 80:sc= -0.955 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 SER OG : rot 17:sc= -5.77! USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 20.989 -4.939 -13.520 1.00 0.00 N ATOM 2 CA ALA A 1 21.559 -4.638 -14.864 1.00 0.00 C ATOM 3 C ALA A 1 20.424 -4.509 -15.883 1.00 0.00 C ATOM 4 O ALA A 1 19.523 -5.321 -15.928 1.00 0.00 O ATOM 5 CB ALA A 1 22.494 -5.772 -15.285 1.00 0.00 C ATOM 0 H1 ALA A 1 21.650 -4.619 -12.783 1.00 0.00 H new ATOM 0 H2 ALA A 1 20.081 -4.444 -13.409 1.00 0.00 H new ATOM 0 H3 ALA A 1 20.838 -5.964 -13.429 1.00 0.00 H new ATOM 0 HA ALA A 1 22.117 -3.702 -14.821 1.00 0.00 H new ATOM 0 HB1 ALA A 1 22.912 -5.553 -16.268 1.00 0.00 H new ATOM 0 HB2 ALA A 1 23.302 -5.865 -14.560 1.00 0.00 H new ATOM 0 HB3 ALA A 1 21.935 -6.707 -15.328 1.00 0.00 H new ATOM 13 N GLN A 2 20.465 -3.495 -16.701 1.00 0.00 N ATOM 14 CA GLN A 2 19.392 -3.313 -17.719 1.00 0.00 C ATOM 15 C GLN A 2 18.027 -3.529 -17.062 1.00 0.00 C ATOM 16 O GLN A 2 17.336 -4.490 -17.342 1.00 0.00 O ATOM 17 CB GLN A 2 19.584 -4.329 -18.848 1.00 0.00 C ATOM 18 CG GLN A 2 19.949 -3.592 -20.139 1.00 0.00 C ATOM 19 CD GLN A 2 19.745 -4.523 -21.336 1.00 0.00 C ATOM 20 OE1 GLN A 2 19.813 -5.729 -21.201 1.00 0.00 O ATOM 21 NE2 GLN A 2 19.497 -4.012 -22.513 1.00 0.00 N ATOM 0 H GLN A 2 21.196 -2.783 -16.709 1.00 0.00 H new ATOM 0 HA GLN A 2 19.443 -2.304 -18.127 1.00 0.00 H new ATOM 0 HB2 GLN A 2 20.370 -5.037 -18.585 1.00 0.00 H new ATOM 0 HB3 GLN A 2 18.671 -4.906 -18.992 1.00 0.00 H new ATOM 0 HG2 GLN A 2 19.330 -2.701 -20.249 1.00 0.00 H new ATOM 0 HG3 GLN A 2 20.986 -3.257 -20.098 1.00 0.00 H new ATOM 0 HE21 GLN A 2 19.440 -3.000 -22.628 1.00 0.00 H new ATOM 0 HE22 GLN A 2 19.361 -4.625 -23.317 1.00 0.00 H new ATOM 30 N GLU A 3 17.631 -2.640 -16.191 1.00 0.00 N ATOM 31 CA GLU A 3 16.310 -2.792 -15.516 1.00 0.00 C ATOM 32 C GLU A 3 15.399 -1.623 -15.911 1.00 0.00 C ATOM 33 O GLU A 3 15.867 -0.524 -16.134 1.00 0.00 O ATOM 34 CB GLU A 3 16.507 -2.792 -13.999 1.00 0.00 C ATOM 35 CG GLU A 3 16.229 -4.194 -13.449 1.00 0.00 C ATOM 36 CD GLU A 3 17.252 -4.525 -12.361 1.00 0.00 C ATOM 37 OE1 GLU A 3 18.234 -3.809 -12.260 1.00 0.00 O ATOM 38 OE2 GLU A 3 17.035 -5.490 -11.647 1.00 0.00 O ATOM 0 H GLU A 3 18.165 -1.815 -15.918 1.00 0.00 H new ATOM 0 HA GLU A 3 15.852 -3.733 -15.822 1.00 0.00 H new ATOM 0 HB2 GLU A 3 17.525 -2.488 -13.754 1.00 0.00 H new ATOM 0 HB3 GLU A 3 15.838 -2.068 -13.534 1.00 0.00 H new ATOM 0 HG2 GLU A 3 15.219 -4.243 -13.041 1.00 0.00 H new ATOM 0 HG3 GLU A 3 16.285 -4.929 -14.252 1.00 0.00 H new ATOM 45 N PRO A 4 14.121 -1.900 -15.985 1.00 0.00 N ATOM 46 CA PRO A 4 13.110 -0.893 -16.350 1.00 0.00 C ATOM 47 C PRO A 4 12.794 0.009 -15.151 1.00 0.00 C ATOM 48 O PRO A 4 12.471 -0.460 -14.078 1.00 0.00 O ATOM 49 CB PRO A 4 11.891 -1.735 -16.738 1.00 0.00 C ATOM 50 CG PRO A 4 12.071 -3.109 -16.046 1.00 0.00 C ATOM 51 CD PRO A 4 13.568 -3.242 -15.712 1.00 0.00 C ATOM 0 HA PRO A 4 13.435 -0.228 -17.150 1.00 0.00 H new ATOM 0 HB2 PRO A 4 10.968 -1.255 -16.414 1.00 0.00 H new ATOM 0 HB3 PRO A 4 11.827 -1.850 -17.820 1.00 0.00 H new ATOM 0 HG2 PRO A 4 11.466 -3.169 -15.142 1.00 0.00 H new ATOM 0 HG3 PRO A 4 11.747 -3.918 -16.701 1.00 0.00 H new ATOM 0 HD2 PRO A 4 13.720 -3.531 -14.672 1.00 0.00 H new ATOM 0 HD3 PRO A 4 14.047 -4.003 -16.328 1.00 0.00 H new ATOM 59 N VAL A 5 12.887 1.299 -15.326 1.00 0.00 N ATOM 60 CA VAL A 5 12.595 2.229 -14.197 1.00 0.00 C ATOM 61 C VAL A 5 11.110 2.595 -14.199 1.00 0.00 C ATOM 62 O VAL A 5 10.747 3.752 -14.272 1.00 0.00 O ATOM 63 CB VAL A 5 13.429 3.501 -14.356 1.00 0.00 C ATOM 64 CG1 VAL A 5 12.940 4.281 -15.580 1.00 0.00 C ATOM 65 CG2 VAL A 5 13.270 4.373 -13.108 1.00 0.00 C ATOM 0 H VAL A 5 13.152 1.750 -16.202 1.00 0.00 H new ATOM 0 HA VAL A 5 12.846 1.740 -13.256 1.00 0.00 H new ATOM 0 HB VAL A 5 14.478 3.233 -14.486 1.00 0.00 H new ATOM 0 HG11 VAL A 5 13.534 5.188 -15.694 1.00 0.00 H new ATOM 0 HG12 VAL A 5 13.046 3.663 -16.472 1.00 0.00 H new ATOM 0 HG13 VAL A 5 11.892 4.548 -15.446 1.00 0.00 H new ATOM 0 HG21 VAL A 5 13.864 5.280 -13.220 1.00 0.00 H new ATOM 0 HG22 VAL A 5 12.221 4.640 -12.982 1.00 0.00 H new ATOM 0 HG23 VAL A 5 13.612 3.821 -12.233 1.00 0.00 H new ATOM 75 N LYS A 6 10.245 1.621 -14.114 1.00 0.00 N ATOM 76 CA LYS A 6 8.784 1.921 -14.106 1.00 0.00 C ATOM 77 C LYS A 6 8.218 1.635 -12.714 1.00 0.00 C ATOM 78 O LYS A 6 7.979 2.534 -11.934 1.00 0.00 O ATOM 79 CB LYS A 6 8.075 1.043 -15.139 1.00 0.00 C ATOM 80 CG LYS A 6 7.624 1.905 -16.320 1.00 0.00 C ATOM 81 CD LYS A 6 8.341 1.447 -17.592 1.00 0.00 C ATOM 82 CE LYS A 6 7.785 0.091 -18.034 1.00 0.00 C ATOM 83 NZ LYS A 6 8.902 -0.888 -18.154 1.00 0.00 N ATOM 0 H LYS A 6 10.486 0.632 -14.050 1.00 0.00 H new ATOM 0 HA LYS A 6 8.625 2.970 -14.356 1.00 0.00 H new ATOM 0 HB2 LYS A 6 8.746 0.256 -15.485 1.00 0.00 H new ATOM 0 HB3 LYS A 6 7.215 0.551 -14.685 1.00 0.00 H new ATOM 0 HG2 LYS A 6 6.545 1.826 -16.450 1.00 0.00 H new ATOM 0 HG3 LYS A 6 7.845 2.954 -16.123 1.00 0.00 H new ATOM 0 HD2 LYS A 6 8.204 2.183 -18.384 1.00 0.00 H new ATOM 0 HD3 LYS A 6 9.413 1.370 -17.410 1.00 0.00 H new ATOM 0 HE2 LYS A 6 7.050 -0.266 -17.312 1.00 0.00 H new ATOM 0 HE3 LYS A 6 7.270 0.191 -18.990 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 8.695 -1.559 -18.922 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 9.786 -0.382 -18.365 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 9.006 -1.408 -17.259 1.00 0.00 H new ATOM 97 N GLY A 7 8.004 0.387 -12.396 1.00 0.00 N ATOM 98 CA GLY A 7 7.460 0.044 -11.052 1.00 0.00 C ATOM 99 C GLY A 7 5.974 0.406 -10.985 1.00 0.00 C ATOM 100 O GLY A 7 5.405 0.871 -11.954 1.00 0.00 O ATOM 0 H GLY A 7 8.182 -0.409 -13.009 1.00 0.00 H new ATOM 0 HA2 GLY A 7 7.593 -1.020 -10.856 1.00 0.00 H new ATOM 0 HA3 GLY A 7 8.010 0.581 -10.279 1.00 0.00 H new ATOM 104 N PRO A 8 5.392 0.181 -9.833 1.00 0.00 N ATOM 105 CA PRO A 8 3.967 0.471 -9.588 1.00 0.00 C ATOM 106 C PRO A 8 3.758 1.977 -9.383 1.00 0.00 C ATOM 107 O PRO A 8 4.527 2.785 -9.865 1.00 0.00 O ATOM 108 CB PRO A 8 3.658 -0.319 -8.310 1.00 0.00 C ATOM 109 CG PRO A 8 5.012 -0.544 -7.597 1.00 0.00 C ATOM 110 CD PRO A 8 6.105 -0.382 -8.668 1.00 0.00 C ATOM 0 HA PRO A 8 3.316 0.192 -10.417 1.00 0.00 H new ATOM 0 HB2 PRO A 8 2.969 0.232 -7.670 1.00 0.00 H new ATOM 0 HB3 PRO A 8 3.181 -1.270 -8.547 1.00 0.00 H new ATOM 0 HG2 PRO A 8 5.150 0.176 -6.791 1.00 0.00 H new ATOM 0 HG3 PRO A 8 5.053 -1.536 -7.148 1.00 0.00 H new ATOM 0 HD2 PRO A 8 6.900 0.282 -8.328 1.00 0.00 H new ATOM 0 HD3 PRO A 8 6.570 -1.338 -8.910 1.00 0.00 H new ATOM 118 N VAL A 9 2.723 2.360 -8.680 1.00 0.00 N ATOM 119 CA VAL A 9 2.464 3.807 -8.451 1.00 0.00 C ATOM 120 C VAL A 9 3.782 4.537 -8.173 1.00 0.00 C ATOM 121 O VAL A 9 3.970 5.669 -8.571 1.00 0.00 O ATOM 122 CB VAL A 9 1.532 3.959 -7.252 1.00 0.00 C ATOM 123 CG1 VAL A 9 0.118 3.525 -7.644 1.00 0.00 C ATOM 124 CG2 VAL A 9 2.032 3.076 -6.105 1.00 0.00 C ATOM 0 H VAL A 9 2.045 1.728 -8.254 1.00 0.00 H new ATOM 0 HA VAL A 9 2.002 4.240 -9.338 1.00 0.00 H new ATOM 0 HB VAL A 9 1.518 5.001 -6.934 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -0.547 3.634 -6.787 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -0.240 4.149 -8.463 1.00 0.00 H new ATOM 0 HG13 VAL A 9 0.132 2.482 -7.962 1.00 0.00 H new ATOM 0 HG21 VAL A 9 1.368 3.183 -5.247 1.00 0.00 H new ATOM 0 HG22 VAL A 9 2.045 2.035 -6.426 1.00 0.00 H new ATOM 0 HG23 VAL A 9 3.040 3.381 -5.824 1.00 0.00 H new ATOM 134 N SER A 10 4.701 3.899 -7.496 1.00 0.00 N ATOM 135 CA SER A 10 6.002 4.566 -7.203 1.00 0.00 C ATOM 136 C SER A 10 6.849 3.672 -6.292 1.00 0.00 C ATOM 137 O SER A 10 6.380 3.163 -5.293 1.00 0.00 O ATOM 138 CB SER A 10 5.744 5.903 -6.507 1.00 0.00 C ATOM 139 OG SER A 10 4.450 5.885 -5.920 1.00 0.00 O ATOM 0 H SER A 10 4.607 2.950 -7.135 1.00 0.00 H new ATOM 0 HA SER A 10 6.537 4.737 -8.137 1.00 0.00 H new ATOM 0 HB2 SER A 10 6.500 6.080 -5.742 1.00 0.00 H new ATOM 0 HB3 SER A 10 5.819 6.720 -7.225 1.00 0.00 H new ATOM 0 HG SER A 10 4.282 6.740 -5.472 1.00 0.00 H new ATOM 145 N THR A 11 8.095 3.478 -6.632 1.00 0.00 N ATOM 146 CA THR A 11 8.974 2.617 -5.788 1.00 0.00 C ATOM 147 C THR A 11 10.229 3.395 -5.379 1.00 0.00 C ATOM 148 O THR A 11 10.725 3.256 -4.279 1.00 0.00 O ATOM 149 CB THR A 11 9.383 1.373 -6.581 1.00 0.00 C ATOM 150 OG1 THR A 11 10.373 0.655 -5.858 1.00 0.00 O ATOM 151 CG2 THR A 11 9.946 1.792 -7.940 1.00 0.00 C ATOM 0 H THR A 11 8.542 3.878 -7.457 1.00 0.00 H new ATOM 0 HA THR A 11 8.429 2.319 -4.893 1.00 0.00 H new ATOM 0 HB THR A 11 8.511 0.737 -6.732 1.00 0.00 H new ATOM 0 HG1 THR A 11 10.634 -0.142 -6.364 1.00 0.00 H new ATOM 0 HG21 THR A 11 10.236 0.905 -8.503 1.00 0.00 H new ATOM 0 HG22 THR A 11 9.186 2.341 -8.495 1.00 0.00 H new ATOM 0 HG23 THR A 11 10.818 2.429 -7.792 1.00 0.00 H new ATOM 159 N LYS A 12 10.750 4.207 -6.257 1.00 0.00 N ATOM 160 CA LYS A 12 11.974 4.985 -5.921 1.00 0.00 C ATOM 161 C LYS A 12 11.623 6.242 -5.105 1.00 0.00 C ATOM 162 O LYS A 12 12.300 6.547 -4.144 1.00 0.00 O ATOM 163 CB LYS A 12 12.693 5.391 -7.210 1.00 0.00 C ATOM 164 CG LYS A 12 13.803 6.392 -6.883 1.00 0.00 C ATOM 165 CD LYS A 12 13.525 7.716 -7.595 1.00 0.00 C ATOM 166 CE LYS A 12 13.764 7.550 -9.097 1.00 0.00 C ATOM 167 NZ LYS A 12 15.171 7.923 -9.419 1.00 0.00 N ATOM 0 H LYS A 12 10.380 4.365 -7.194 1.00 0.00 H new ATOM 0 HA LYS A 12 12.627 4.356 -5.316 1.00 0.00 H new ATOM 0 HB2 LYS A 12 13.114 4.511 -7.696 1.00 0.00 H new ATOM 0 HB3 LYS A 12 11.984 5.834 -7.910 1.00 0.00 H new ATOM 0 HG2 LYS A 12 13.858 6.551 -5.806 1.00 0.00 H new ATOM 0 HG3 LYS A 12 14.769 5.995 -7.196 1.00 0.00 H new ATOM 0 HD2 LYS A 12 12.497 8.030 -7.412 1.00 0.00 H new ATOM 0 HD3 LYS A 12 14.173 8.497 -7.197 1.00 0.00 H new ATOM 0 HE2 LYS A 12 13.572 6.519 -9.395 1.00 0.00 H new ATOM 0 HE3 LYS A 12 13.072 8.178 -9.658 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 15.335 7.811 -10.440 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 15.338 8.913 -9.148 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 15.823 7.306 -8.894 1.00 0.00 H new ATOM 181 N PRO A 13 10.586 6.948 -5.504 1.00 0.00 N ATOM 182 CA PRO A 13 10.168 8.179 -4.804 1.00 0.00 C ATOM 183 C PRO A 13 9.421 7.845 -3.507 1.00 0.00 C ATOM 184 O PRO A 13 9.959 7.966 -2.424 1.00 0.00 O ATOM 185 CB PRO A 13 9.246 8.873 -5.812 1.00 0.00 C ATOM 186 CG PRO A 13 8.745 7.773 -6.775 1.00 0.00 C ATOM 187 CD PRO A 13 9.740 6.602 -6.667 1.00 0.00 C ATOM 0 HA PRO A 13 11.009 8.804 -4.505 1.00 0.00 H new ATOM 0 HB2 PRO A 13 8.410 9.356 -5.305 1.00 0.00 H new ATOM 0 HB3 PRO A 13 9.781 9.651 -6.356 1.00 0.00 H new ATOM 0 HG2 PRO A 13 7.739 7.452 -6.505 1.00 0.00 H new ATOM 0 HG3 PRO A 13 8.697 8.147 -7.798 1.00 0.00 H new ATOM 0 HD2 PRO A 13 9.224 5.654 -6.516 1.00 0.00 H new ATOM 0 HD3 PRO A 13 10.334 6.500 -7.575 1.00 0.00 H new ATOM 195 N GLY A 14 8.186 7.431 -3.603 1.00 0.00 N ATOM 196 CA GLY A 14 7.413 7.097 -2.371 1.00 0.00 C ATOM 197 C GLY A 14 7.882 5.750 -1.816 1.00 0.00 C ATOM 198 O GLY A 14 8.300 4.879 -2.553 1.00 0.00 O ATOM 0 H GLY A 14 7.679 7.310 -4.480 1.00 0.00 H new ATOM 0 HA2 GLY A 14 7.549 7.877 -1.622 1.00 0.00 H new ATOM 0 HA3 GLY A 14 6.348 7.056 -2.598 1.00 0.00 H new ATOM 202 N SER A 15 7.820 5.569 -0.522 1.00 0.00 N ATOM 203 CA SER A 15 8.266 4.274 0.067 1.00 0.00 C ATOM 204 C SER A 15 7.070 3.538 0.676 1.00 0.00 C ATOM 205 O SER A 15 6.509 3.960 1.668 1.00 0.00 O ATOM 206 CB SER A 15 9.301 4.545 1.161 1.00 0.00 C ATOM 207 OG SER A 15 10.582 4.705 0.566 1.00 0.00 O ATOM 0 H SER A 15 7.481 6.259 0.148 1.00 0.00 H new ATOM 0 HA SER A 15 8.707 3.658 -0.716 1.00 0.00 H new ATOM 0 HB2 SER A 15 9.032 5.442 1.718 1.00 0.00 H new ATOM 0 HB3 SER A 15 9.319 3.720 1.873 1.00 0.00 H new ATOM 0 HG SER A 15 11.258 4.265 1.122 1.00 0.00 H new ATOM 213 N CYS A 16 6.678 2.434 0.094 1.00 0.00 N ATOM 214 CA CYS A 16 5.526 1.671 0.646 1.00 0.00 C ATOM 215 C CYS A 16 5.978 0.923 1.907 1.00 0.00 C ATOM 216 O CYS A 16 7.100 0.461 1.979 1.00 0.00 O ATOM 217 CB CYS A 16 5.040 0.667 -0.397 1.00 0.00 C ATOM 218 SG CYS A 16 4.139 1.534 -1.706 1.00 0.00 S ATOM 0 H CYS A 16 7.107 2.031 -0.739 1.00 0.00 H new ATOM 0 HA CYS A 16 4.715 2.354 0.897 1.00 0.00 H new ATOM 0 HB2 CYS A 16 5.888 0.129 -0.821 1.00 0.00 H new ATOM 0 HB3 CYS A 16 4.394 -0.075 0.072 1.00 0.00 H new ATOM 223 N PRO A 17 5.094 0.835 2.866 1.00 0.00 N ATOM 224 CA PRO A 17 5.376 0.159 4.145 1.00 0.00 C ATOM 225 C PRO A 17 5.257 -1.361 4.000 1.00 0.00 C ATOM 226 O PRO A 17 5.037 -1.881 2.924 1.00 0.00 O ATOM 227 CB PRO A 17 4.288 0.694 5.079 1.00 0.00 C ATOM 228 CG PRO A 17 3.132 1.175 4.169 1.00 0.00 C ATOM 229 CD PRO A 17 3.735 1.403 2.770 1.00 0.00 C ATOM 0 HA PRO A 17 6.386 0.349 4.508 1.00 0.00 H new ATOM 0 HB2 PRO A 17 3.947 -0.083 5.763 1.00 0.00 H new ATOM 0 HB3 PRO A 17 4.668 1.513 5.690 1.00 0.00 H new ATOM 0 HG2 PRO A 17 2.335 0.432 4.131 1.00 0.00 H new ATOM 0 HG3 PRO A 17 2.692 2.094 4.555 1.00 0.00 H new ATOM 0 HD2 PRO A 17 3.149 0.905 1.997 1.00 0.00 H new ATOM 0 HD3 PRO A 17 3.763 2.463 2.516 1.00 0.00 H new ATOM 237 N ILE A 18 5.395 -2.072 5.087 1.00 0.00 N ATOM 238 CA ILE A 18 5.284 -3.557 5.036 1.00 0.00 C ATOM 239 C ILE A 18 4.112 -3.997 5.915 1.00 0.00 C ATOM 240 O ILE A 18 3.728 -3.308 6.839 1.00 0.00 O ATOM 241 CB ILE A 18 6.579 -4.184 5.556 1.00 0.00 C ATOM 242 CG1 ILE A 18 7.765 -3.660 4.742 1.00 0.00 C ATOM 243 CG2 ILE A 18 6.502 -5.707 5.425 1.00 0.00 C ATOM 244 CD1 ILE A 18 7.681 -4.193 3.311 1.00 0.00 C ATOM 0 H ILE A 18 5.581 -1.685 6.012 1.00 0.00 H new ATOM 0 HA ILE A 18 5.116 -3.881 4.009 1.00 0.00 H new ATOM 0 HB ILE A 18 6.713 -3.918 6.605 1.00 0.00 H new ATOM 0 HG12 ILE A 18 7.761 -2.570 4.736 1.00 0.00 H new ATOM 0 HG13 ILE A 18 8.702 -3.973 5.203 1.00 0.00 H new ATOM 0 HG21 ILE A 18 7.426 -6.151 5.796 1.00 0.00 H new ATOM 0 HG22 ILE A 18 5.660 -6.080 6.008 1.00 0.00 H new ATOM 0 HG23 ILE A 18 6.365 -5.976 4.377 1.00 0.00 H new ATOM 0 HD11 ILE A 18 8.526 -3.819 2.733 1.00 0.00 H new ATOM 0 HD12 ILE A 18 7.706 -5.283 3.327 1.00 0.00 H new ATOM 0 HD13 ILE A 18 6.751 -3.858 2.852 1.00 0.00 H new ATOM 256 N ILE A 19 3.536 -5.136 5.639 1.00 0.00 N ATOM 257 CA ILE A 19 2.387 -5.604 6.468 1.00 0.00 C ATOM 258 C ILE A 19 2.739 -6.911 7.159 1.00 0.00 C ATOM 259 O ILE A 19 3.689 -7.583 6.808 1.00 0.00 O ATOM 260 CB ILE A 19 1.145 -5.856 5.601 1.00 0.00 C ATOM 261 CG1 ILE A 19 1.433 -5.551 4.125 1.00 0.00 C ATOM 262 CG2 ILE A 19 -0.004 -4.980 6.096 1.00 0.00 C ATOM 263 CD1 ILE A 19 1.511 -4.040 3.908 1.00 0.00 C ATOM 0 H ILE A 19 3.809 -5.760 4.880 1.00 0.00 H new ATOM 0 HA ILE A 19 2.175 -4.824 7.199 1.00 0.00 H new ATOM 0 HB ILE A 19 0.871 -6.908 5.683 1.00 0.00 H new ATOM 0 HG12 ILE A 19 2.371 -6.018 3.825 1.00 0.00 H new ATOM 0 HG13 ILE A 19 0.650 -5.977 3.498 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -0.887 -5.157 5.482 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -0.228 -5.226 7.134 1.00 0.00 H new ATOM 0 HG23 ILE A 19 0.282 -3.931 6.026 1.00 0.00 H new ATOM 0 HD11 ILE A 19 1.716 -3.833 2.858 1.00 0.00 H new ATOM 0 HD12 ILE A 19 0.563 -3.583 4.190 1.00 0.00 H new ATOM 0 HD13 ILE A 19 2.310 -3.625 4.522 1.00 0.00 H new ATOM 275 N LEU A 20 1.951 -7.291 8.124 1.00 0.00 N ATOM 276 CA LEU A 20 2.199 -8.571 8.825 1.00 0.00 C ATOM 277 C LEU A 20 2.466 -9.635 7.758 1.00 0.00 C ATOM 278 O LEU A 20 3.591 -10.040 7.535 1.00 0.00 O ATOM 279 CB LEU A 20 0.949 -8.919 9.650 1.00 0.00 C ATOM 280 CG LEU A 20 0.845 -10.430 9.875 1.00 0.00 C ATOM 281 CD1 LEU A 20 0.554 -10.703 11.350 1.00 0.00 C ATOM 282 CD2 LEU A 20 -0.296 -10.993 9.023 1.00 0.00 C ATOM 0 H LEU A 20 1.143 -6.765 8.456 1.00 0.00 H new ATOM 0 HA LEU A 20 3.054 -8.511 9.498 1.00 0.00 H new ATOM 0 HB2 LEU A 20 0.988 -8.406 10.611 1.00 0.00 H new ATOM 0 HB3 LEU A 20 0.057 -8.562 9.135 1.00 0.00 H new ATOM 0 HG LEU A 20 1.784 -10.906 9.592 1.00 0.00 H new ATOM 0 HD11 LEU A 20 0.479 -11.778 11.513 1.00 0.00 H new ATOM 0 HD12 LEU A 20 1.361 -10.298 11.961 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -0.386 -10.228 11.629 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -0.372 -12.069 9.182 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -1.234 -10.517 9.310 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -0.096 -10.795 7.970 1.00 0.00 H new ATOM 294 N ILE A 21 1.440 -10.065 7.078 1.00 0.00 N ATOM 295 CA ILE A 21 1.612 -11.081 5.996 1.00 0.00 C ATOM 296 C ILE A 21 0.404 -11.016 5.055 1.00 0.00 C ATOM 297 O ILE A 21 0.475 -10.461 3.976 1.00 0.00 O ATOM 298 CB ILE A 21 1.720 -12.498 6.582 1.00 0.00 C ATOM 299 CG1 ILE A 21 2.854 -12.574 7.604 1.00 0.00 C ATOM 300 CG2 ILE A 21 2.004 -13.487 5.451 1.00 0.00 C ATOM 301 CD1 ILE A 21 2.754 -13.901 8.345 1.00 0.00 C ATOM 0 H ILE A 21 0.480 -9.754 7.225 1.00 0.00 H new ATOM 0 HA ILE A 21 2.531 -10.861 5.454 1.00 0.00 H new ATOM 0 HB ILE A 21 0.781 -12.745 7.077 1.00 0.00 H new ATOM 0 HG12 ILE A 21 3.819 -12.492 7.104 1.00 0.00 H new ATOM 0 HG13 ILE A 21 2.787 -11.743 8.306 1.00 0.00 H new ATOM 0 HG21 ILE A 21 2.082 -14.494 5.860 1.00 0.00 H new ATOM 0 HG22 ILE A 21 1.192 -13.452 4.725 1.00 0.00 H new ATOM 0 HG23 ILE A 21 2.941 -13.221 4.961 1.00 0.00 H new ATOM 0 HD11 ILE A 21 3.557 -13.970 9.078 1.00 0.00 H new ATOM 0 HD12 ILE A 21 1.792 -13.962 8.854 1.00 0.00 H new ATOM 0 HD13 ILE A 21 2.841 -14.722 7.634 1.00 0.00 H new ATOM 313 N ARG A 22 -0.704 -11.575 5.457 1.00 0.00 N ATOM 314 CA ARG A 22 -1.919 -11.548 4.598 1.00 0.00 C ATOM 315 C ARG A 22 -3.150 -11.839 5.463 1.00 0.00 C ATOM 316 O ARG A 22 -3.543 -12.978 5.615 1.00 0.00 O ATOM 317 CB ARG A 22 -1.797 -12.612 3.505 1.00 0.00 C ATOM 318 CG ARG A 22 -2.732 -12.265 2.344 1.00 0.00 C ATOM 319 CD ARG A 22 -2.068 -12.644 1.019 1.00 0.00 C ATOM 320 NE ARG A 22 -3.082 -12.615 -0.072 1.00 0.00 N ATOM 321 CZ ARG A 22 -3.007 -11.713 -1.011 1.00 0.00 C ATOM 322 NH1 ARG A 22 -3.218 -10.457 -0.727 1.00 0.00 N ATOM 323 NH2 ARG A 22 -2.723 -12.065 -2.235 1.00 0.00 N ATOM 0 H ARG A 22 -0.819 -12.053 6.351 1.00 0.00 H new ATOM 0 HA ARG A 22 -2.020 -10.567 4.134 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -0.767 -12.668 3.152 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -2.050 -13.593 3.908 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -3.677 -12.797 2.454 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -2.962 -11.200 2.355 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -1.257 -11.951 0.795 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -1.626 -13.638 1.093 1.00 0.00 H new ATOM 0 HE ARG A 22 -3.836 -13.302 -0.085 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -3.441 -10.181 0.229 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -3.159 -9.751 -1.461 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -2.559 -13.047 -2.458 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -2.665 -11.358 -2.968 1.00 0.00 H new ATOM 337 N CYS A 23 -3.741 -10.821 6.048 1.00 0.00 N ATOM 338 CA CYS A 23 -4.936 -11.027 6.927 1.00 0.00 C ATOM 339 C CYS A 23 -5.757 -12.232 6.472 1.00 0.00 C ATOM 340 O CYS A 23 -6.231 -12.999 7.281 1.00 0.00 O ATOM 341 CB CYS A 23 -5.821 -9.770 6.932 1.00 0.00 C ATOM 342 SG CYS A 23 -7.010 -9.789 5.560 1.00 0.00 S ATOM 0 H CYS A 23 -3.443 -9.850 5.952 1.00 0.00 H new ATOM 0 HA CYS A 23 -4.575 -11.218 7.938 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -6.357 -9.705 7.879 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -5.194 -8.882 6.859 1.00 0.00 H new ATOM 347 N ALA A 24 -5.949 -12.388 5.190 1.00 0.00 N ATOM 348 CA ALA A 24 -6.773 -13.524 4.702 1.00 0.00 C ATOM 349 C ALA A 24 -8.227 -13.207 5.044 1.00 0.00 C ATOM 350 O ALA A 24 -8.964 -12.687 4.232 1.00 0.00 O ATOM 351 CB ALA A 24 -6.341 -14.816 5.399 1.00 0.00 C ATOM 0 H ALA A 24 -5.571 -11.779 4.464 1.00 0.00 H new ATOM 0 HA ALA A 24 -6.650 -13.660 3.628 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -6.949 -15.645 5.037 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -5.291 -15.013 5.181 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -6.475 -14.711 6.476 1.00 0.00 H new ATOM 357 N MET A 25 -8.624 -13.480 6.261 1.00 0.00 N ATOM 358 CA MET A 25 -10.010 -13.166 6.704 1.00 0.00 C ATOM 359 C MET A 25 -11.006 -13.367 5.557 1.00 0.00 C ATOM 360 O MET A 25 -11.519 -14.450 5.354 1.00 0.00 O ATOM 361 CB MET A 25 -10.043 -11.711 7.176 1.00 0.00 C ATOM 362 CG MET A 25 -9.869 -11.662 8.695 1.00 0.00 C ATOM 363 SD MET A 25 -11.360 -12.299 9.497 1.00 0.00 S ATOM 364 CE MET A 25 -11.095 -11.527 11.111 1.00 0.00 C ATOM 0 H MET A 25 -8.036 -13.913 6.973 1.00 0.00 H new ATOM 0 HA MET A 25 -10.295 -13.836 7.515 1.00 0.00 H new ATOM 0 HB2 MET A 25 -9.250 -11.142 6.690 1.00 0.00 H new ATOM 0 HB3 MET A 25 -10.988 -11.247 6.893 1.00 0.00 H new ATOM 0 HG2 MET A 25 -9.003 -12.254 8.991 1.00 0.00 H new ATOM 0 HG3 MET A 25 -9.680 -10.638 9.017 1.00 0.00 H new ATOM 0 HE1 MET A 25 -11.914 -11.791 11.780 1.00 0.00 H new ATOM 0 HE2 MET A 25 -10.154 -11.880 11.533 1.00 0.00 H new ATOM 0 HE3 MET A 25 -11.057 -10.444 10.994 1.00 0.00 H new ATOM 374 N LEU A 26 -11.288 -12.334 4.808 1.00 0.00 N ATOM 375 CA LEU A 26 -12.255 -12.475 3.681 1.00 0.00 C ATOM 376 C LEU A 26 -11.672 -11.837 2.420 1.00 0.00 C ATOM 377 O LEU A 26 -10.478 -11.858 2.202 1.00 0.00 O ATOM 378 CB LEU A 26 -13.572 -11.789 4.059 1.00 0.00 C ATOM 379 CG LEU A 26 -14.749 -12.692 3.679 1.00 0.00 C ATOM 380 CD1 LEU A 26 -14.674 -13.991 4.482 1.00 0.00 C ATOM 381 CD2 LEU A 26 -16.062 -11.975 3.998 1.00 0.00 C ATOM 0 H LEU A 26 -10.892 -11.402 4.927 1.00 0.00 H new ATOM 0 HA LEU A 26 -12.442 -13.531 3.486 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -13.591 -11.580 5.129 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -13.655 -10.831 3.546 1.00 0.00 H new ATOM 0 HG LEU A 26 -14.705 -12.919 2.614 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -15.511 -14.634 4.212 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -13.737 -14.502 4.260 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -14.720 -13.764 5.547 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -16.901 -12.616 3.728 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -16.104 -11.751 5.064 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -16.117 -11.047 3.429 1.00 0.00 H new ATOM 393 N ASN A 27 -12.505 -11.279 1.581 1.00 0.00 N ATOM 394 CA ASN A 27 -11.992 -10.646 0.332 1.00 0.00 C ATOM 395 C ASN A 27 -12.117 -9.125 0.453 1.00 0.00 C ATOM 396 O ASN A 27 -13.144 -8.563 0.130 1.00 0.00 O ATOM 397 CB ASN A 27 -12.800 -11.126 -0.886 1.00 0.00 C ATOM 398 CG ASN A 27 -13.762 -12.249 -0.484 1.00 0.00 C ATOM 399 OD1 ASN A 27 -14.943 -12.181 -0.762 1.00 0.00 O ATOM 400 ND2 ASN A 27 -13.303 -13.285 0.161 1.00 0.00 N ATOM 0 H ASN A 27 -13.516 -11.235 1.707 1.00 0.00 H new ATOM 0 HA ASN A 27 -10.948 -10.928 0.195 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -13.361 -10.293 -1.309 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -12.122 -11.481 -1.663 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -13.935 -14.038 0.432 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -12.312 -13.342 0.394 1.00 0.00 H new ATOM 407 N PRO A 28 -11.060 -8.504 0.913 1.00 0.00 N ATOM 408 CA PRO A 28 -11.014 -7.039 1.086 1.00 0.00 C ATOM 409 C PRO A 28 -10.918 -6.343 -0.278 1.00 0.00 C ATOM 410 O PRO A 28 -10.327 -6.868 -1.199 1.00 0.00 O ATOM 411 CB PRO A 28 -9.749 -6.813 1.919 1.00 0.00 C ATOM 412 CG PRO A 28 -8.863 -8.062 1.705 1.00 0.00 C ATOM 413 CD PRO A 28 -9.815 -9.200 1.296 1.00 0.00 C ATOM 0 HA PRO A 28 -11.904 -6.633 1.566 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -9.230 -5.909 1.601 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -9.995 -6.686 2.973 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -8.117 -7.882 0.931 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -8.322 -8.316 2.616 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -9.411 -9.780 0.466 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -9.983 -9.895 2.119 1.00 0.00 H new ATOM 421 N PRO A 29 -11.519 -5.183 -0.363 1.00 0.00 N ATOM 422 CA PRO A 29 -11.540 -4.387 -1.604 1.00 0.00 C ATOM 423 C PRO A 29 -10.220 -3.636 -1.794 1.00 0.00 C ATOM 424 O PRO A 29 -9.207 -3.977 -1.217 1.00 0.00 O ATOM 425 CB PRO A 29 -12.686 -3.398 -1.372 1.00 0.00 C ATOM 426 CG PRO A 29 -12.865 -3.291 0.160 1.00 0.00 C ATOM 427 CD PRO A 29 -12.234 -4.557 0.768 1.00 0.00 C ATOM 0 HA PRO A 29 -11.672 -4.999 -2.496 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -12.453 -2.425 -1.805 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -13.603 -3.747 -1.847 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -12.380 -2.394 0.545 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -13.921 -3.220 0.422 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -11.553 -4.311 1.583 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -12.993 -5.223 1.177 1.00 0.00 H new ATOM 435 N ASN A 30 -10.234 -2.608 -2.599 1.00 0.00 N ATOM 436 CA ASN A 30 -8.994 -1.818 -2.832 1.00 0.00 C ATOM 437 C ASN A 30 -9.349 -0.330 -2.835 1.00 0.00 C ATOM 438 O ASN A 30 -10.363 0.071 -3.370 1.00 0.00 O ATOM 439 CB ASN A 30 -8.383 -2.199 -4.183 1.00 0.00 C ATOM 440 CG ASN A 30 -8.687 -3.666 -4.492 1.00 0.00 C ATOM 441 OD1 ASN A 30 -7.875 -4.533 -4.236 1.00 0.00 O ATOM 442 ND2 ASN A 30 -9.829 -3.983 -5.037 1.00 0.00 N ATOM 0 H ASN A 30 -11.056 -2.281 -3.107 1.00 0.00 H new ATOM 0 HA ASN A 30 -8.272 -2.027 -2.043 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -8.787 -1.561 -4.969 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -7.305 -2.037 -4.164 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -10.040 -4.958 -5.248 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -10.511 -3.256 -5.252 1.00 0.00 H new ATOM 449 N ARG A 31 -8.532 0.492 -2.238 1.00 0.00 N ATOM 450 CA ARG A 31 -8.841 1.948 -2.208 1.00 0.00 C ATOM 451 C ARG A 31 -8.290 2.627 -3.465 1.00 0.00 C ATOM 452 O ARG A 31 -8.922 3.495 -4.033 1.00 0.00 O ATOM 453 CB ARG A 31 -8.217 2.582 -0.965 1.00 0.00 C ATOM 454 CG ARG A 31 -8.571 1.745 0.264 1.00 0.00 C ATOM 455 CD ARG A 31 -9.973 2.122 0.744 1.00 0.00 C ATOM 456 NE ARG A 31 -10.060 3.602 0.895 1.00 0.00 N ATOM 457 CZ ARG A 31 -11.218 4.173 1.077 1.00 0.00 C ATOM 458 NH1 ARG A 31 -12.284 3.682 0.508 1.00 0.00 N ATOM 459 NH2 ARG A 31 -11.308 5.237 1.828 1.00 0.00 N ATOM 0 H ARG A 31 -7.667 0.220 -1.771 1.00 0.00 H new ATOM 0 HA ARG A 31 -9.922 2.081 -2.177 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -7.135 2.642 -1.078 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -8.582 3.602 -0.841 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -8.531 0.684 0.019 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -7.844 1.917 1.057 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -10.720 1.773 0.031 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -10.188 1.635 1.695 1.00 0.00 H new ATOM 0 HE ARG A 31 -9.213 4.169 0.856 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -12.212 2.851 -0.079 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -13.190 4.129 0.650 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -10.473 5.620 2.271 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -12.213 5.685 1.971 1.00 0.00 H new ATOM 473 N CYS A 32 -7.127 2.237 -3.915 1.00 0.00 N ATOM 474 CA CYS A 32 -6.570 2.867 -5.143 1.00 0.00 C ATOM 475 C CYS A 32 -5.584 1.910 -5.800 1.00 0.00 C ATOM 476 O CYS A 32 -5.247 0.874 -5.262 1.00 0.00 O ATOM 477 CB CYS A 32 -5.857 4.182 -4.803 1.00 0.00 C ATOM 478 SG CYS A 32 -5.023 4.051 -3.203 1.00 0.00 S ATOM 0 H CYS A 32 -6.545 1.516 -3.489 1.00 0.00 H new ATOM 0 HA CYS A 32 -7.391 3.083 -5.827 1.00 0.00 H new ATOM 0 HB2 CYS A 32 -5.131 4.421 -5.580 1.00 0.00 H new ATOM 0 HB3 CYS A 32 -6.579 4.999 -4.779 1.00 0.00 H new ATOM 483 N LEU A 33 -5.130 2.244 -6.967 1.00 0.00 N ATOM 484 CA LEU A 33 -4.173 1.355 -7.668 1.00 0.00 C ATOM 485 C LEU A 33 -3.454 2.152 -8.756 1.00 0.00 C ATOM 486 O LEU A 33 -3.167 1.636 -9.815 1.00 0.00 O ATOM 487 CB LEU A 33 -4.935 0.183 -8.282 1.00 0.00 C ATOM 488 CG LEU A 33 -6.336 0.638 -8.697 1.00 0.00 C ATOM 489 CD1 LEU A 33 -6.776 -0.133 -9.941 1.00 0.00 C ATOM 490 CD2 LEU A 33 -7.317 0.364 -7.554 1.00 0.00 C ATOM 0 H LEU A 33 -5.380 3.096 -7.468 1.00 0.00 H new ATOM 0 HA LEU A 33 -3.435 0.968 -6.966 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -4.395 -0.200 -9.148 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -5.006 -0.634 -7.563 1.00 0.00 H new ATOM 0 HG LEU A 33 -6.322 1.705 -8.919 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -7.774 0.191 -10.236 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -6.077 0.059 -10.755 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -6.792 -1.200 -9.721 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -8.316 0.687 -7.847 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -7.331 -0.704 -7.334 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -7.004 0.913 -6.666 1.00 0.00 H new ATOM 502 N LYS A 34 -3.173 3.406 -8.483 1.00 0.00 N ATOM 503 CA LYS A 34 -2.472 4.296 -9.459 1.00 0.00 C ATOM 504 C LYS A 34 -3.505 5.106 -10.260 1.00 0.00 C ATOM 505 O LYS A 34 -3.158 5.923 -11.086 1.00 0.00 O ATOM 506 CB LYS A 34 -1.571 3.466 -10.394 1.00 0.00 C ATOM 507 CG LYS A 34 -2.313 3.105 -11.686 1.00 0.00 C ATOM 508 CD LYS A 34 -1.964 4.122 -12.766 1.00 0.00 C ATOM 509 CE LYS A 34 -3.150 4.289 -13.717 1.00 0.00 C ATOM 510 NZ LYS A 34 -2.738 3.909 -15.098 1.00 0.00 N ATOM 0 H LYS A 34 -3.408 3.859 -7.600 1.00 0.00 H new ATOM 0 HA LYS A 34 -1.834 4.992 -8.914 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -0.669 4.030 -10.633 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -1.252 2.556 -9.886 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -2.035 2.102 -12.011 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -3.389 3.097 -11.511 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -1.713 5.080 -12.310 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -1.085 3.792 -13.320 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -3.982 3.666 -13.390 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -3.499 5.321 -13.702 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -3.545 4.023 -15.745 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -1.957 4.521 -15.408 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -2.425 2.917 -15.106 1.00 0.00 H new ATOM 524 N ASP A 35 -4.770 4.895 -10.016 1.00 0.00 N ATOM 525 CA ASP A 35 -5.806 5.664 -10.766 1.00 0.00 C ATOM 526 C ASP A 35 -5.999 7.039 -10.111 1.00 0.00 C ATOM 527 O ASP A 35 -5.192 7.931 -10.283 1.00 0.00 O ATOM 528 CB ASP A 35 -7.126 4.889 -10.763 1.00 0.00 C ATOM 529 CG ASP A 35 -7.174 3.958 -11.976 1.00 0.00 C ATOM 530 OD1 ASP A 35 -6.123 3.487 -12.379 1.00 0.00 O ATOM 531 OD2 ASP A 35 -8.261 3.732 -12.482 1.00 0.00 O ATOM 0 H ASP A 35 -5.130 4.228 -9.334 1.00 0.00 H new ATOM 0 HA ASP A 35 -5.481 5.803 -11.797 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -7.218 4.311 -9.844 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -7.967 5.582 -10.790 1.00 0.00 H new ATOM 536 N THR A 36 -7.059 7.227 -9.364 1.00 0.00 N ATOM 537 CA THR A 36 -7.282 8.549 -8.713 1.00 0.00 C ATOM 538 C THR A 36 -8.261 8.391 -7.547 1.00 0.00 C ATOM 539 O THR A 36 -9.461 8.387 -7.731 1.00 0.00 O ATOM 540 CB THR A 36 -7.866 9.528 -9.735 1.00 0.00 C ATOM 541 OG1 THR A 36 -7.353 9.229 -11.026 1.00 0.00 O ATOM 542 CG2 THR A 36 -7.483 10.960 -9.354 1.00 0.00 C ATOM 0 H THR A 36 -7.775 6.524 -9.179 1.00 0.00 H new ATOM 0 HA THR A 36 -6.332 8.931 -8.340 1.00 0.00 H new ATOM 0 HB THR A 36 -8.952 9.434 -9.744 1.00 0.00 H new ATOM 0 HG1 THR A 36 -7.845 8.471 -11.406 1.00 0.00 H new ATOM 0 HG21 THR A 36 -7.900 11.654 -10.083 1.00 0.00 H new ATOM 0 HG22 THR A 36 -7.878 11.192 -8.365 1.00 0.00 H new ATOM 0 HG23 THR A 36 -6.397 11.055 -9.342 1.00 0.00 H new ATOM 550 N ASP A 37 -7.758 8.264 -6.350 1.00 0.00 N ATOM 551 CA ASP A 37 -8.658 8.110 -5.168 1.00 0.00 C ATOM 552 C ASP A 37 -7.814 8.162 -3.894 1.00 0.00 C ATOM 553 O ASP A 37 -6.640 8.474 -3.935 1.00 0.00 O ATOM 554 CB ASP A 37 -9.378 6.761 -5.244 1.00 0.00 C ATOM 555 CG ASP A 37 -10.684 6.916 -6.024 1.00 0.00 C ATOM 556 OD1 ASP A 37 -11.622 7.465 -5.469 1.00 0.00 O ATOM 557 OD2 ASP A 37 -10.726 6.480 -7.164 1.00 0.00 O ATOM 0 H ASP A 37 -6.760 8.260 -6.137 1.00 0.00 H new ATOM 0 HA ASP A 37 -9.396 8.912 -5.160 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -8.739 6.024 -5.730 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -9.585 6.391 -4.240 1.00 0.00 H new ATOM 562 N CYS A 38 -8.388 7.851 -2.763 1.00 0.00 N ATOM 563 CA CYS A 38 -7.588 7.880 -1.506 1.00 0.00 C ATOM 564 C CYS A 38 -7.103 9.313 -1.252 1.00 0.00 C ATOM 565 O CYS A 38 -7.292 10.178 -2.086 1.00 0.00 O ATOM 566 CB CYS A 38 -6.404 6.927 -1.681 1.00 0.00 C ATOM 567 SG CYS A 38 -6.849 5.302 -1.020 1.00 0.00 S ATOM 0 H CYS A 38 -9.366 7.581 -2.655 1.00 0.00 H new ATOM 0 HA CYS A 38 -8.185 7.565 -0.650 1.00 0.00 H new ATOM 0 HB2 CYS A 38 -6.140 6.845 -2.735 1.00 0.00 H new ATOM 0 HB3 CYS A 38 -5.528 7.317 -1.163 1.00 0.00 H new ATOM 572 N PRO A 39 -6.502 9.533 -0.107 1.00 0.00 N ATOM 573 CA PRO A 39 -5.997 10.865 0.270 1.00 0.00 C ATOM 574 C PRO A 39 -4.736 11.219 -0.527 1.00 0.00 C ATOM 575 O PRO A 39 -4.380 10.547 -1.474 1.00 0.00 O ATOM 576 CB PRO A 39 -5.710 10.736 1.769 1.00 0.00 C ATOM 577 CG PRO A 39 -5.544 9.227 2.052 1.00 0.00 C ATOM 578 CD PRO A 39 -6.261 8.486 0.908 1.00 0.00 C ATOM 0 HA PRO A 39 -6.703 11.667 0.055 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -4.808 11.284 2.040 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -6.526 11.154 2.358 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -4.490 8.953 2.091 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -5.977 8.963 3.017 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -5.646 7.679 0.509 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -7.195 8.038 1.247 1.00 0.00 H new ATOM 586 N GLY A 40 -4.080 12.290 -0.170 1.00 0.00 N ATOM 587 CA GLY A 40 -2.867 12.712 -0.928 1.00 0.00 C ATOM 588 C GLY A 40 -1.605 12.028 -0.392 1.00 0.00 C ATOM 589 O GLY A 40 -0.749 11.629 -1.157 1.00 0.00 O ATOM 0 H GLY A 40 -4.332 12.891 0.614 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -2.993 12.470 -1.983 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -2.752 13.794 -0.861 1.00 0.00 H new ATOM 593 N ILE A 41 -1.463 11.907 0.905 1.00 0.00 N ATOM 594 CA ILE A 41 -0.229 11.264 1.455 1.00 0.00 C ATOM 595 C ILE A 41 0.133 10.040 0.613 1.00 0.00 C ATOM 596 O ILE A 41 -0.646 9.119 0.465 1.00 0.00 O ATOM 597 CB ILE A 41 -0.453 10.835 2.908 1.00 0.00 C ATOM 598 CG1 ILE A 41 -1.506 9.727 2.960 1.00 0.00 C ATOM 599 CG2 ILE A 41 -0.926 12.033 3.732 1.00 0.00 C ATOM 600 CD1 ILE A 41 -1.845 9.414 4.418 1.00 0.00 C ATOM 0 H ILE A 41 -2.140 12.222 1.600 1.00 0.00 H new ATOM 0 HA ILE A 41 0.586 11.987 1.421 1.00 0.00 H new ATOM 0 HB ILE A 41 0.484 10.462 3.322 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -2.404 10.038 2.426 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -1.133 8.832 2.462 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -1.084 11.724 4.765 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -0.170 12.818 3.700 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -1.861 12.412 3.319 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -2.595 8.624 4.456 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -0.945 9.085 4.938 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -2.236 10.310 4.901 1.00 0.00 H new ATOM 612 N LYS A 42 1.312 10.029 0.055 1.00 0.00 N ATOM 613 CA LYS A 42 1.729 8.873 -0.781 1.00 0.00 C ATOM 614 C LYS A 42 0.599 8.519 -1.763 1.00 0.00 C ATOM 615 O LYS A 42 0.077 9.385 -2.434 1.00 0.00 O ATOM 616 CB LYS A 42 2.060 7.696 0.135 1.00 0.00 C ATOM 617 CG LYS A 42 3.569 7.474 0.161 1.00 0.00 C ATOM 618 CD LYS A 42 4.057 7.148 -1.245 1.00 0.00 C ATOM 619 CE LYS A 42 3.160 6.075 -1.868 1.00 0.00 C ATOM 620 NZ LYS A 42 3.995 5.116 -2.643 1.00 0.00 N ATOM 0 H LYS A 42 2.004 10.773 0.143 1.00 0.00 H new ATOM 0 HA LYS A 42 2.617 9.121 -1.363 1.00 0.00 H new ATOM 0 HB2 LYS A 42 1.694 7.893 1.143 1.00 0.00 H new ATOM 0 HB3 LYS A 42 1.556 6.796 -0.217 1.00 0.00 H new ATOM 0 HG2 LYS A 42 4.072 8.366 0.535 1.00 0.00 H new ATOM 0 HG3 LYS A 42 3.816 6.659 0.842 1.00 0.00 H new ATOM 0 HD2 LYS A 42 4.046 8.047 -1.861 1.00 0.00 H new ATOM 0 HD3 LYS A 42 5.089 6.798 -1.210 1.00 0.00 H new ATOM 0 HE2 LYS A 42 2.611 5.547 -1.088 1.00 0.00 H new ATOM 0 HE3 LYS A 42 2.420 6.539 -2.520 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 3.385 4.388 -3.066 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 4.500 5.625 -3.397 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 4.684 4.665 -2.009 1.00 0.00 H new ATOM 634 N LYS A 43 0.207 7.272 -1.865 1.00 0.00 N ATOM 635 CA LYS A 43 -0.885 6.925 -2.817 1.00 0.00 C ATOM 636 C LYS A 43 -1.456 5.551 -2.459 1.00 0.00 C ATOM 637 O LYS A 43 -2.309 5.432 -1.606 1.00 0.00 O ATOM 638 CB LYS A 43 -0.339 6.903 -4.251 1.00 0.00 C ATOM 639 CG LYS A 43 -0.743 8.189 -4.977 1.00 0.00 C ATOM 640 CD LYS A 43 -2.268 8.260 -5.082 1.00 0.00 C ATOM 641 CE LYS A 43 -2.659 9.094 -6.304 1.00 0.00 C ATOM 642 NZ LYS A 43 -3.841 9.939 -5.973 1.00 0.00 N ATOM 0 H LYS A 43 0.593 6.490 -1.335 1.00 0.00 H new ATOM 0 HA LYS A 43 -1.674 7.674 -2.749 1.00 0.00 H new ATOM 0 HB2 LYS A 43 0.747 6.809 -4.236 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -0.727 6.035 -4.785 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -0.364 9.057 -4.438 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -0.298 8.212 -5.972 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -2.684 7.256 -5.166 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -2.685 8.703 -4.178 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -1.823 9.723 -6.610 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -2.890 8.440 -7.145 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -4.106 10.506 -6.804 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -4.638 9.329 -5.701 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -3.604 10.573 -5.183 1.00 0.00 H new ATOM 656 N CYS A 44 -0.988 4.510 -3.100 1.00 0.00 N ATOM 657 CA CYS A 44 -1.509 3.149 -2.797 1.00 0.00 C ATOM 658 C CYS A 44 -0.359 2.158 -2.640 1.00 0.00 C ATOM 659 O CYS A 44 0.563 2.120 -3.430 1.00 0.00 O ATOM 660 CB CYS A 44 -2.422 2.681 -3.934 1.00 0.00 C ATOM 661 SG CYS A 44 -4.057 2.284 -3.269 1.00 0.00 S ATOM 0 H CYS A 44 -0.267 4.547 -3.820 1.00 0.00 H new ATOM 0 HA CYS A 44 -2.071 3.194 -1.864 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -2.505 3.460 -4.692 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -1.994 1.806 -4.422 1.00 0.00 H new ATOM 666 N CYS A 45 -0.430 1.338 -1.633 1.00 0.00 N ATOM 667 CA CYS A 45 0.625 0.315 -1.414 1.00 0.00 C ATOM 668 C CYS A 45 -0.063 -0.985 -1.012 1.00 0.00 C ATOM 669 O CYS A 45 -1.276 -1.081 -1.031 1.00 0.00 O ATOM 670 CB CYS A 45 1.571 0.750 -0.301 1.00 0.00 C ATOM 671 SG CYS A 45 2.473 2.237 -0.801 1.00 0.00 S ATOM 0 H CYS A 45 -1.183 1.333 -0.945 1.00 0.00 H new ATOM 0 HA CYS A 45 1.207 0.184 -2.326 1.00 0.00 H new ATOM 0 HB2 CYS A 45 1.007 0.946 0.611 1.00 0.00 H new ATOM 0 HB3 CYS A 45 2.273 -0.052 -0.075 1.00 0.00 H new ATOM 676 N GLU A 46 0.680 -1.980 -0.638 1.00 0.00 N ATOM 677 CA GLU A 46 0.033 -3.254 -0.232 1.00 0.00 C ATOM 678 C GLU A 46 -0.363 -3.168 1.242 1.00 0.00 C ATOM 679 O GLU A 46 0.228 -2.440 2.014 1.00 0.00 O ATOM 680 CB GLU A 46 1.001 -4.417 -0.438 1.00 0.00 C ATOM 681 CG GLU A 46 0.227 -5.635 -0.945 1.00 0.00 C ATOM 682 CD GLU A 46 1.166 -6.545 -1.738 1.00 0.00 C ATOM 683 OE1 GLU A 46 1.929 -7.264 -1.115 1.00 0.00 O ATOM 684 OE2 GLU A 46 1.105 -6.507 -2.956 1.00 0.00 O ATOM 0 H GLU A 46 1.699 -1.970 -0.595 1.00 0.00 H new ATOM 0 HA GLU A 46 -0.855 -3.421 -0.841 1.00 0.00 H new ATOM 0 HB2 GLU A 46 1.774 -4.139 -1.154 1.00 0.00 H new ATOM 0 HB3 GLU A 46 1.505 -4.656 0.498 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -0.202 -6.181 -0.105 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -0.603 -5.315 -1.575 1.00 0.00 H new ATOM 691 N GLY A 47 -1.357 -3.910 1.637 1.00 0.00 N ATOM 692 CA GLY A 47 -1.792 -3.884 3.061 1.00 0.00 C ATOM 693 C GLY A 47 -1.978 -5.319 3.543 1.00 0.00 C ATOM 694 O GLY A 47 -2.581 -5.569 4.567 1.00 0.00 O ATOM 0 H GLY A 47 -1.890 -4.536 1.033 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -1.049 -3.373 3.674 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -2.724 -3.328 3.161 1.00 0.00 H new ATOM 698 N SER A 48 -1.472 -6.263 2.797 1.00 0.00 N ATOM 699 CA SER A 48 -1.614 -7.695 3.180 1.00 0.00 C ATOM 700 C SER A 48 -3.082 -8.023 3.476 1.00 0.00 C ATOM 701 O SER A 48 -3.390 -9.048 4.043 1.00 0.00 O ATOM 702 CB SER A 48 -0.769 -7.988 4.420 1.00 0.00 C ATOM 703 OG SER A 48 -1.207 -7.172 5.497 1.00 0.00 O ATOM 0 H SER A 48 -0.961 -6.100 1.929 1.00 0.00 H new ATOM 0 HA SER A 48 -1.270 -8.313 2.350 1.00 0.00 H new ATOM 0 HB2 SER A 48 -0.853 -9.041 4.690 1.00 0.00 H new ATOM 0 HB3 SER A 48 0.283 -7.796 4.209 1.00 0.00 H new ATOM 0 HG SER A 48 -2.097 -6.814 5.295 1.00 0.00 H new ATOM 709 N CYS A 49 -3.995 -7.172 3.100 1.00 0.00 N ATOM 710 CA CYS A 49 -5.426 -7.467 3.372 1.00 0.00 C ATOM 711 C CYS A 49 -6.304 -6.594 2.473 1.00 0.00 C ATOM 712 O CYS A 49 -7.412 -6.244 2.824 1.00 0.00 O ATOM 713 CB CYS A 49 -5.740 -7.179 4.840 1.00 0.00 C ATOM 714 SG CYS A 49 -7.376 -7.836 5.227 1.00 0.00 S ATOM 0 H CYS A 49 -3.813 -6.291 2.619 1.00 0.00 H new ATOM 0 HA CYS A 49 -5.628 -8.518 3.164 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -4.988 -7.636 5.483 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -5.710 -6.106 5.028 1.00 0.00 H new ATOM 719 N GLY A 50 -5.814 -6.233 1.318 1.00 0.00 N ATOM 720 CA GLY A 50 -6.618 -5.378 0.401 1.00 0.00 C ATOM 721 C GLY A 50 -5.863 -4.074 0.128 1.00 0.00 C ATOM 722 O GLY A 50 -5.747 -3.222 0.987 1.00 0.00 O ATOM 0 H GLY A 50 -4.891 -6.494 0.970 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -6.805 -5.905 -0.534 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -7.590 -5.162 0.846 1.00 0.00 H new ATOM 726 N MET A 51 -5.348 -3.914 -1.060 1.00 0.00 N ATOM 727 CA MET A 51 -4.599 -2.667 -1.388 1.00 0.00 C ATOM 728 C MET A 51 -5.351 -1.453 -0.836 1.00 0.00 C ATOM 729 O MET A 51 -6.565 -1.425 -0.801 1.00 0.00 O ATOM 730 CB MET A 51 -4.472 -2.537 -2.909 1.00 0.00 C ATOM 731 CG MET A 51 -3.413 -3.516 -3.420 1.00 0.00 C ATOM 732 SD MET A 51 -3.676 -3.822 -5.185 1.00 0.00 S ATOM 733 CE MET A 51 -4.509 -5.419 -5.015 1.00 0.00 C ATOM 0 H MET A 51 -5.413 -4.593 -1.818 1.00 0.00 H new ATOM 0 HA MET A 51 -3.607 -2.712 -0.939 1.00 0.00 H new ATOM 0 HB2 MET A 51 -5.432 -2.743 -3.383 1.00 0.00 H new ATOM 0 HB3 MET A 51 -4.197 -1.516 -3.175 1.00 0.00 H new ATOM 0 HG2 MET A 51 -2.416 -3.108 -3.255 1.00 0.00 H new ATOM 0 HG3 MET A 51 -3.470 -4.452 -2.865 1.00 0.00 H new ATOM 0 HE1 MET A 51 -4.768 -5.801 -6.002 1.00 0.00 H new ATOM 0 HE2 MET A 51 -3.845 -6.124 -4.515 1.00 0.00 H new ATOM 0 HE3 MET A 51 -5.417 -5.295 -4.425 1.00 0.00 H new ATOM 743 N ALA A 52 -4.637 -0.446 -0.408 1.00 0.00 N ATOM 744 CA ALA A 52 -5.307 0.769 0.136 1.00 0.00 C ATOM 745 C ALA A 52 -4.351 1.955 0.031 1.00 0.00 C ATOM 746 O ALA A 52 -3.354 1.894 -0.660 1.00 0.00 O ATOM 747 CB ALA A 52 -5.677 0.539 1.600 1.00 0.00 C ATOM 0 H ALA A 52 -3.618 -0.413 -0.412 1.00 0.00 H new ATOM 0 HA ALA A 52 -6.213 0.975 -0.434 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -6.167 1.429 1.996 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -6.354 -0.312 1.675 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -4.774 0.335 2.176 1.00 0.00 H new ATOM 753 N CYS A 53 -4.631 3.035 0.710 1.00 0.00 N ATOM 754 CA CYS A 53 -3.706 4.198 0.622 1.00 0.00 C ATOM 755 C CYS A 53 -2.656 4.098 1.717 1.00 0.00 C ATOM 756 O CYS A 53 -2.965 4.017 2.890 1.00 0.00 O ATOM 757 CB CYS A 53 -4.438 5.546 0.757 1.00 0.00 C ATOM 758 SG CYS A 53 -6.232 5.330 0.899 1.00 0.00 S ATOM 0 H CYS A 53 -5.445 3.161 1.311 1.00 0.00 H new ATOM 0 HA CYS A 53 -3.244 4.166 -0.365 1.00 0.00 H new ATOM 0 HB2 CYS A 53 -4.066 6.075 1.634 1.00 0.00 H new ATOM 0 HB3 CYS A 53 -4.215 6.169 -0.109 1.00 0.00 H new ATOM 763 N PHE A 54 -1.414 4.100 1.339 1.00 0.00 N ATOM 764 CA PHE A 54 -0.331 4.000 2.345 1.00 0.00 C ATOM 765 C PHE A 54 0.522 5.266 2.323 1.00 0.00 C ATOM 766 O PHE A 54 0.579 5.975 1.332 1.00 0.00 O ATOM 767 CB PHE A 54 0.536 2.795 2.014 1.00 0.00 C ATOM 768 CG PHE A 54 -0.119 1.566 2.584 1.00 0.00 C ATOM 769 CD1 PHE A 54 0.164 1.182 3.895 1.00 0.00 C ATOM 770 CD2 PHE A 54 -1.017 0.820 1.810 1.00 0.00 C ATOM 771 CE1 PHE A 54 -0.444 0.049 4.441 1.00 0.00 C ATOM 772 CE2 PHE A 54 -1.628 -0.316 2.356 1.00 0.00 C ATOM 773 CZ PHE A 54 -1.340 -0.700 3.673 1.00 0.00 C ATOM 0 H PHE A 54 -1.101 4.167 0.370 1.00 0.00 H new ATOM 0 HA PHE A 54 -0.765 3.886 3.338 1.00 0.00 H new ATOM 0 HB2 PHE A 54 0.652 2.697 0.935 1.00 0.00 H new ATOM 0 HB3 PHE A 54 1.535 2.921 2.432 1.00 0.00 H new ATOM 0 HD1 PHE A 54 0.855 1.762 4.489 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -1.237 1.120 0.796 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -0.222 -0.248 5.455 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -2.320 -0.895 1.763 1.00 0.00 H new ATOM 0 HZ PHE A 54 -1.811 -1.576 4.095 1.00 0.00 H new ATOM 783 N VAL A 55 1.184 5.546 3.415 1.00 0.00 N ATOM 784 CA VAL A 55 2.045 6.757 3.494 1.00 0.00 C ATOM 785 C VAL A 55 3.488 6.377 3.137 1.00 0.00 C ATOM 786 O VAL A 55 3.847 5.216 3.162 1.00 0.00 O ATOM 787 CB VAL A 55 1.943 7.346 4.920 1.00 0.00 C ATOM 788 CG1 VAL A 55 3.293 7.296 5.652 1.00 0.00 C ATOM 789 CG2 VAL A 55 1.487 8.802 4.826 1.00 0.00 C ATOM 0 H VAL A 55 1.163 4.980 4.263 1.00 0.00 H new ATOM 0 HA VAL A 55 1.715 7.516 2.784 1.00 0.00 H new ATOM 0 HB VAL A 55 1.226 6.748 5.483 1.00 0.00 H new ATOM 0 HG11 VAL A 55 3.181 7.719 6.651 1.00 0.00 H new ATOM 0 HG12 VAL A 55 3.626 6.261 5.731 1.00 0.00 H new ATOM 0 HG13 VAL A 55 4.031 7.873 5.094 1.00 0.00 H new ATOM 0 HG21 VAL A 55 1.412 9.225 5.828 1.00 0.00 H new ATOM 0 HG22 VAL A 55 2.210 9.373 4.244 1.00 0.00 H new ATOM 0 HG23 VAL A 55 0.513 8.847 4.339 1.00 0.00 H new ATOM 799 N PRO A 56 4.268 7.373 2.807 1.00 0.00 N ATOM 800 CA PRO A 56 5.679 7.185 2.427 1.00 0.00 C ATOM 801 C PRO A 56 6.553 6.935 3.661 1.00 0.00 C ATOM 802 O PRO A 56 6.066 6.639 4.734 1.00 0.00 O ATOM 803 CB PRO A 56 6.048 8.508 1.750 1.00 0.00 C ATOM 804 CG PRO A 56 5.040 9.560 2.267 1.00 0.00 C ATOM 805 CD PRO A 56 3.814 8.779 2.781 1.00 0.00 C ATOM 0 HA PRO A 56 5.832 6.321 1.780 1.00 0.00 H new ATOM 0 HB2 PRO A 56 7.070 8.797 1.994 1.00 0.00 H new ATOM 0 HB3 PRO A 56 5.993 8.418 0.665 1.00 0.00 H new ATOM 0 HG2 PRO A 56 5.480 10.159 3.064 1.00 0.00 H new ATOM 0 HG3 PRO A 56 4.755 10.248 1.471 1.00 0.00 H new ATOM 0 HD2 PRO A 56 3.511 9.119 3.772 1.00 0.00 H new ATOM 0 HD3 PRO A 56 2.954 8.908 2.123 1.00 0.00 H new ATOM 813 N GLN A 57 7.843 7.045 3.506 1.00 0.00 N ATOM 814 CA GLN A 57 8.761 6.809 4.655 1.00 0.00 C ATOM 815 C GLN A 57 9.057 8.137 5.353 1.00 0.00 C ATOM 816 O GLN A 57 9.421 8.104 6.517 1.00 0.00 O ATOM 817 CB GLN A 57 10.065 6.205 4.133 1.00 0.00 C ATOM 818 CG GLN A 57 10.828 7.265 3.339 1.00 0.00 C ATOM 819 CD GLN A 57 12.123 6.665 2.791 1.00 0.00 C ATOM 820 OE1 GLN A 57 12.983 6.255 3.547 1.00 0.00 O ATOM 821 NE2 GLN A 57 12.302 6.594 1.501 1.00 0.00 N ATOM 822 OXT GLN A 57 8.917 9.163 4.710 1.00 0.00 O ATOM 0 H GLN A 57 8.303 7.289 2.629 1.00 0.00 H new ATOM 0 HA GLN A 57 8.296 6.125 5.365 1.00 0.00 H new ATOM 0 HB2 GLN A 57 10.673 5.849 4.965 1.00 0.00 H new ATOM 0 HB3 GLN A 57 9.853 5.343 3.501 1.00 0.00 H new ATOM 0 HG2 GLN A 57 10.211 7.633 2.519 1.00 0.00 H new ATOM 0 HG3 GLN A 57 11.053 8.119 3.977 1.00 0.00 H new ATOM 0 HE21 GLN A 57 11.581 6.938 0.866 1.00 0.00 H new ATOM 0 HE22 GLN A 57 13.163 6.195 1.127 1.00 0.00 H new TER 831 GLN A 57