USER MOD reduce.3.24.130724 H: found=0, std=0, add=474, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 473 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= -0.427 K(o=-0.4,f=-3.4!) USER MOD Set 1.2: A 31 SER OG : rot 180:sc= 0.0299 USER MOD Set 2.1: A 11 GLN : amide:sc= 0 K(o=0,f=-0.92) USER MOD Set 2.2: A 27 MET CE :methyl -141:sc= 0 (180deg=0) USER MOD Single : A 1 ASP N :NH3+ -171:sc= 0 (180deg=-0.104) USER MOD Single : A 4 SER OG : rot -59:sc= 0.17 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ -148:sc= -0.219 (180deg=-1.08) USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 SER OG : rot -170:sc= -2.78! USER MOD Single : A 18 ASN : amide:sc= 0 X(o=0,f=-0.04) USER MOD Single : A 21 GLN : amide:sc= -0.833 K(o=-0.83,f=-1.9) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 33 HIS : no HD1:sc= -9.24! C(o=-9.2!,f=-16!) USER MOD Single : A 34 SER OG : rot 180:sc= 0.0614 USER MOD Single : A 37 LYS NZ :NH3+ 145:sc= 1.1 (180deg=0.358) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 44 SER OG : rot -127:sc= 1.55 USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 GLN : amide:sc=-0.00982 X(o=-0.0098,f=-0.42) USER MOD Single : A 55 THR OG1 : rot 144:sc= -0.48! USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ 165:sc= -0.479 (180deg=-1.25) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 ASN : amide:sc= -0.648 X(o=-0.65,f=-1) USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 1 27.997 8.593 -7.540 1.00 0.00 N ATOM 2 CA ASP A 1 27.882 9.208 -6.195 1.00 0.00 C ATOM 3 C ASP A 1 26.585 8.775 -5.529 1.00 0.00 C ATOM 4 O ASP A 1 26.558 8.479 -4.351 1.00 0.00 O ATOM 5 CB ASP A 1 27.872 10.739 -6.317 1.00 0.00 C ATOM 6 CG ASP A 1 26.673 11.296 -5.544 1.00 0.00 C ATOM 7 OD1 ASP A 1 26.806 11.394 -4.335 1.00 0.00 O ATOM 8 OD2 ASP A 1 25.692 11.592 -6.206 1.00 0.00 O ATOM 0 H1 ASP A 1 28.948 8.770 -7.922 1.00 0.00 H new ATOM 0 H2 ASP A 1 27.838 7.568 -7.468 1.00 0.00 H new ATOM 0 H3 ASP A 1 27.286 9.010 -8.174 1.00 0.00 H new ATOM 0 HA ASP A 1 28.734 8.884 -5.597 1.00 0.00 H new ATOM 0 HB2 ASP A 1 28.799 11.154 -5.922 1.00 0.00 H new ATOM 0 HB3 ASP A 1 27.813 11.032 -7.365 1.00 0.00 H new ATOM 15 N ASP A 2 25.527 8.745 -6.294 1.00 0.00 N ATOM 16 CA ASP A 2 24.225 8.333 -5.713 1.00 0.00 C ATOM 17 C ASP A 2 23.257 7.879 -6.802 1.00 0.00 C ATOM 18 O ASP A 2 22.070 8.126 -6.722 1.00 0.00 O ATOM 19 CB ASP A 2 23.623 9.541 -4.982 1.00 0.00 C ATOM 20 CG ASP A 2 22.792 9.052 -3.794 1.00 0.00 C ATOM 21 OD1 ASP A 2 21.993 8.161 -4.024 1.00 0.00 O ATOM 22 OD2 ASP A 2 23.005 9.599 -2.725 1.00 0.00 O ATOM 0 H ASP A 2 25.511 8.986 -7.285 1.00 0.00 H new ATOM 0 HA ASP A 2 24.387 7.499 -5.030 1.00 0.00 H new ATOM 0 HB2 ASP A 2 24.416 10.204 -4.637 1.00 0.00 H new ATOM 0 HB3 ASP A 2 22.999 10.119 -5.664 1.00 0.00 H new ATOM 27 N GLU A 3 23.779 7.224 -7.802 1.00 0.00 N ATOM 28 CA GLU A 3 22.898 6.748 -8.900 1.00 0.00 C ATOM 29 C GLU A 3 22.021 5.594 -8.424 1.00 0.00 C ATOM 30 O GLU A 3 21.307 5.715 -7.451 1.00 0.00 O ATOM 31 CB GLU A 3 23.784 6.252 -10.052 1.00 0.00 C ATOM 32 CG GLU A 3 24.792 7.343 -10.415 1.00 0.00 C ATOM 33 CD GLU A 3 25.373 7.057 -11.802 1.00 0.00 C ATOM 34 OE1 GLU A 3 24.632 7.257 -12.750 1.00 0.00 O ATOM 35 OE2 GLU A 3 26.524 6.656 -11.835 1.00 0.00 O ATOM 0 H GLU A 3 24.769 7.000 -7.905 1.00 0.00 H new ATOM 0 HA GLU A 3 22.256 7.567 -9.224 1.00 0.00 H new ATOM 0 HB2 GLU A 3 24.306 5.341 -9.759 1.00 0.00 H new ATOM 0 HB3 GLU A 3 23.170 6.004 -10.918 1.00 0.00 H new ATOM 0 HG2 GLU A 3 24.307 8.319 -10.406 1.00 0.00 H new ATOM 0 HG3 GLU A 3 25.591 7.377 -9.674 1.00 0.00 H new ATOM 42 N SER A 4 22.092 4.494 -9.122 1.00 0.00 N ATOM 43 CA SER A 4 21.271 3.324 -8.722 1.00 0.00 C ATOM 44 C SER A 4 21.931 2.579 -7.567 1.00 0.00 C ATOM 45 O SER A 4 21.867 1.368 -7.486 1.00 0.00 O ATOM 46 CB SER A 4 21.162 2.376 -9.924 1.00 0.00 C ATOM 47 OG SER A 4 20.025 1.575 -9.637 1.00 0.00 O ATOM 0 H SER A 4 22.679 4.358 -9.945 1.00 0.00 H new ATOM 0 HA SER A 4 20.286 3.666 -8.404 1.00 0.00 H new ATOM 0 HB2 SER A 4 21.035 2.928 -10.855 1.00 0.00 H new ATOM 0 HB3 SER A 4 22.060 1.768 -10.034 1.00 0.00 H new ATOM 0 HG SER A 4 20.164 1.102 -8.790 1.00 0.00 H new ATOM 53 N SER A 5 22.556 3.321 -6.693 1.00 0.00 N ATOM 54 CA SER A 5 23.229 2.678 -5.536 1.00 0.00 C ATOM 55 C SER A 5 22.233 2.370 -4.421 1.00 0.00 C ATOM 56 O SER A 5 22.582 2.382 -3.255 1.00 0.00 O ATOM 57 CB SER A 5 24.288 3.648 -4.995 1.00 0.00 C ATOM 58 OG SER A 5 25.194 3.811 -6.077 1.00 0.00 O ATOM 0 H SER A 5 22.628 4.338 -6.732 1.00 0.00 H new ATOM 0 HA SER A 5 23.680 1.742 -5.865 1.00 0.00 H new ATOM 0 HB2 SER A 5 23.844 4.599 -4.700 1.00 0.00 H new ATOM 0 HB3 SER A 5 24.787 3.243 -4.115 1.00 0.00 H new ATOM 0 HG SER A 5 25.911 4.425 -5.814 1.00 0.00 H new ATOM 64 N LYS A 6 21.008 2.112 -4.804 1.00 0.00 N ATOM 65 CA LYS A 6 19.961 1.799 -3.789 1.00 0.00 C ATOM 66 C LYS A 6 20.534 0.917 -2.659 1.00 0.00 C ATOM 67 O LYS A 6 21.524 0.240 -2.851 1.00 0.00 O ATOM 68 CB LYS A 6 18.801 1.023 -4.477 1.00 0.00 C ATOM 69 CG LYS A 6 19.279 0.345 -5.780 1.00 0.00 C ATOM 70 CD LYS A 6 20.374 -0.683 -5.458 1.00 0.00 C ATOM 71 CE LYS A 6 20.483 -1.677 -6.619 1.00 0.00 C ATOM 72 NZ LYS A 6 19.213 -2.443 -6.773 1.00 0.00 N ATOM 0 H LYS A 6 20.690 2.105 -5.773 1.00 0.00 H new ATOM 0 HA LYS A 6 19.604 2.737 -3.363 1.00 0.00 H new ATOM 0 HB2 LYS A 6 18.409 0.269 -3.794 1.00 0.00 H new ATOM 0 HB3 LYS A 6 17.983 1.708 -4.699 1.00 0.00 H new ATOM 0 HG2 LYS A 6 18.441 -0.145 -6.275 1.00 0.00 H new ATOM 0 HG3 LYS A 6 19.663 1.095 -6.472 1.00 0.00 H new ATOM 0 HD2 LYS A 6 21.328 -0.180 -5.302 1.00 0.00 H new ATOM 0 HD3 LYS A 6 20.136 -1.209 -4.533 1.00 0.00 H new ATOM 0 HE2 LYS A 6 20.707 -1.143 -7.543 1.00 0.00 H new ATOM 0 HE3 LYS A 6 21.310 -2.365 -6.440 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 19.425 -3.399 -7.123 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 18.734 -2.509 -5.852 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 18.594 -1.956 -7.452 1.00 0.00 H new ATOM 86 N PRO A 7 19.899 0.942 -1.485 1.00 0.00 N ATOM 87 CA PRO A 7 20.367 0.140 -0.352 1.00 0.00 C ATOM 88 C PRO A 7 20.377 -1.347 -0.679 1.00 0.00 C ATOM 89 O PRO A 7 19.356 -1.914 -1.016 1.00 0.00 O ATOM 90 CB PRO A 7 19.347 0.399 0.772 1.00 0.00 C ATOM 91 CG PRO A 7 18.251 1.338 0.203 1.00 0.00 C ATOM 92 CD PRO A 7 18.695 1.757 -1.208 1.00 0.00 C ATOM 0 HA PRO A 7 21.387 0.413 -0.082 1.00 0.00 H new ATOM 0 HB2 PRO A 7 18.908 -0.538 1.114 1.00 0.00 H new ATOM 0 HB3 PRO A 7 19.834 0.856 1.633 1.00 0.00 H new ATOM 0 HG2 PRO A 7 17.289 0.828 0.167 1.00 0.00 H new ATOM 0 HG3 PRO A 7 18.125 2.212 0.842 1.00 0.00 H new ATOM 0 HD2 PRO A 7 17.912 1.567 -1.942 1.00 0.00 H new ATOM 0 HD3 PRO A 7 18.920 2.823 -1.251 1.00 0.00 H new ATOM 100 N CYS A 8 21.534 -1.943 -0.573 1.00 0.00 N ATOM 101 CA CYS A 8 21.651 -3.391 -0.866 1.00 0.00 C ATOM 102 C CYS A 8 22.352 -4.090 0.273 1.00 0.00 C ATOM 103 O CYS A 8 22.363 -3.600 1.383 1.00 0.00 O ATOM 104 CB CYS A 8 22.447 -3.584 -2.157 1.00 0.00 C ATOM 105 SG CYS A 8 24.082 -2.828 -2.278 1.00 0.00 S ATOM 0 H CYS A 8 22.402 -1.485 -0.295 1.00 0.00 H new ATOM 0 HA CYS A 8 20.655 -3.817 -0.985 1.00 0.00 H new ATOM 0 HB2 CYS A 8 22.564 -4.656 -2.318 1.00 0.00 H new ATOM 0 HB3 CYS A 8 21.843 -3.202 -2.980 1.00 0.00 H new ATOM 110 N CYS A 9 22.928 -5.216 0.002 1.00 0.00 N ATOM 111 CA CYS A 9 23.624 -5.922 1.114 1.00 0.00 C ATOM 112 C CYS A 9 24.702 -6.895 0.654 1.00 0.00 C ATOM 113 O CYS A 9 24.922 -7.093 -0.513 1.00 0.00 O ATOM 114 CB CYS A 9 22.568 -6.722 1.865 1.00 0.00 C ATOM 115 SG CYS A 9 22.042 -6.092 3.462 1.00 0.00 S ATOM 0 H CYS A 9 22.952 -5.673 -0.909 1.00 0.00 H new ATOM 0 HA CYS A 9 24.120 -5.166 1.722 1.00 0.00 H new ATOM 0 HB2 CYS A 9 21.688 -6.802 1.227 1.00 0.00 H new ATOM 0 HB3 CYS A 9 22.950 -7.733 2.010 1.00 0.00 H new ATOM 120 N ASP A 10 25.360 -7.479 1.620 1.00 0.00 N ATOM 121 CA ASP A 10 26.434 -8.453 1.313 1.00 0.00 C ATOM 122 C ASP A 10 26.492 -9.487 2.428 1.00 0.00 C ATOM 123 O ASP A 10 26.348 -10.672 2.198 1.00 0.00 O ATOM 124 CB ASP A 10 27.776 -7.707 1.250 1.00 0.00 C ATOM 125 CG ASP A 10 27.914 -7.027 -0.113 1.00 0.00 C ATOM 126 OD1 ASP A 10 28.357 -7.715 -1.017 1.00 0.00 O ATOM 127 OD2 ASP A 10 27.571 -5.858 -0.172 1.00 0.00 O ATOM 0 H ASP A 10 25.194 -7.318 2.614 1.00 0.00 H new ATOM 0 HA ASP A 10 26.236 -8.944 0.360 1.00 0.00 H new ATOM 0 HB2 ASP A 10 27.830 -6.965 2.046 1.00 0.00 H new ATOM 0 HB3 ASP A 10 28.600 -8.403 1.407 1.00 0.00 H new ATOM 132 N GLN A 11 26.709 -8.999 3.622 1.00 0.00 N ATOM 133 CA GLN A 11 26.785 -9.900 4.802 1.00 0.00 C ATOM 134 C GLN A 11 25.591 -9.618 5.696 1.00 0.00 C ATOM 135 O GLN A 11 25.455 -8.529 6.218 1.00 0.00 O ATOM 136 CB GLN A 11 28.069 -9.594 5.582 1.00 0.00 C ATOM 137 CG GLN A 11 29.252 -9.562 4.610 1.00 0.00 C ATOM 138 CD GLN A 11 30.555 -9.750 5.390 1.00 0.00 C ATOM 139 OE1 GLN A 11 30.637 -9.452 6.566 1.00 0.00 O ATOM 140 NE2 GLN A 11 31.598 -10.238 4.774 1.00 0.00 N ATOM 0 H GLN A 11 26.837 -8.008 3.828 1.00 0.00 H new ATOM 0 HA GLN A 11 26.785 -10.942 4.483 1.00 0.00 H new ATOM 0 HB2 GLN A 11 27.978 -8.636 6.095 1.00 0.00 H new ATOM 0 HB3 GLN A 11 28.233 -10.352 6.348 1.00 0.00 H new ATOM 0 HG2 GLN A 11 29.145 -10.349 3.864 1.00 0.00 H new ATOM 0 HG3 GLN A 11 29.270 -8.614 4.073 1.00 0.00 H new ATOM 0 HE21 GLN A 11 31.536 -10.490 3.788 1.00 0.00 H new ATOM 0 HE22 GLN A 11 32.475 -10.367 5.279 1.00 0.00 H new ATOM 149 N CYS A 12 24.751 -10.598 5.859 1.00 0.00 N ATOM 150 CA CYS A 12 23.555 -10.397 6.716 1.00 0.00 C ATOM 151 C CYS A 12 23.741 -11.047 8.087 1.00 0.00 C ATOM 152 O CYS A 12 24.424 -12.043 8.219 1.00 0.00 O ATOM 153 CB CYS A 12 22.374 -11.060 6.005 1.00 0.00 C ATOM 154 SG CYS A 12 21.037 -9.976 5.455 1.00 0.00 S ATOM 0 H CYS A 12 24.840 -11.523 5.439 1.00 0.00 H new ATOM 0 HA CYS A 12 23.389 -9.331 6.872 1.00 0.00 H new ATOM 0 HB2 CYS A 12 22.758 -11.593 5.135 1.00 0.00 H new ATOM 0 HB3 CYS A 12 21.950 -11.807 6.676 1.00 0.00 H new ATOM 159 N ALA A 13 23.128 -10.463 9.082 1.00 0.00 N ATOM 160 CA ALA A 13 23.248 -11.021 10.458 1.00 0.00 C ATOM 161 C ALA A 13 22.061 -10.583 11.299 1.00 0.00 C ATOM 162 O ALA A 13 21.845 -9.398 11.477 1.00 0.00 O ATOM 163 CB ALA A 13 24.527 -10.465 11.091 1.00 0.00 C ATOM 0 H ALA A 13 22.551 -9.626 9.001 1.00 0.00 H new ATOM 0 HA ALA A 13 23.276 -12.110 10.412 1.00 0.00 H new ATOM 0 HB1 ALA A 13 24.635 -10.861 12.101 1.00 0.00 H new ATOM 0 HB2 ALA A 13 25.388 -10.760 10.491 1.00 0.00 H new ATOM 0 HB3 ALA A 13 24.469 -9.377 11.132 1.00 0.00 H new ATOM 169 N CYS A 14 21.310 -11.538 11.805 1.00 0.00 N ATOM 170 CA CYS A 14 20.144 -11.186 12.627 1.00 0.00 C ATOM 171 C CYS A 14 20.201 -11.791 14.026 1.00 0.00 C ATOM 172 O CYS A 14 20.859 -12.787 14.256 1.00 0.00 O ATOM 173 CB CYS A 14 18.919 -11.725 11.899 1.00 0.00 C ATOM 174 SG CYS A 14 18.406 -10.871 10.379 1.00 0.00 S ATOM 0 H CYS A 14 21.468 -12.537 11.675 1.00 0.00 H new ATOM 0 HA CYS A 14 20.115 -10.104 12.758 1.00 0.00 H new ATOM 0 HB2 CYS A 14 19.107 -12.770 11.651 1.00 0.00 H new ATOM 0 HB3 CYS A 14 18.080 -11.708 12.594 1.00 0.00 H new ATOM 179 N THR A 15 19.490 -11.155 14.934 1.00 0.00 N ATOM 180 CA THR A 15 19.455 -11.634 16.335 1.00 0.00 C ATOM 181 C THR A 15 18.034 -12.045 16.696 1.00 0.00 C ATOM 182 O THR A 15 17.085 -11.381 16.328 1.00 0.00 O ATOM 183 CB THR A 15 19.913 -10.473 17.247 1.00 0.00 C ATOM 184 OG1 THR A 15 21.149 -10.893 17.789 1.00 0.00 O ATOM 185 CG2 THR A 15 19.002 -10.304 18.478 1.00 0.00 C ATOM 0 H THR A 15 18.933 -10.320 14.751 1.00 0.00 H new ATOM 0 HA THR A 15 20.111 -12.495 16.462 1.00 0.00 H new ATOM 0 HB THR A 15 19.926 -9.551 16.665 1.00 0.00 H new ATOM 0 HG1 THR A 15 21.500 -10.196 18.382 1.00 0.00 H new ATOM 0 HG21 THR A 15 19.364 -9.476 19.088 1.00 0.00 H new ATOM 0 HG22 THR A 15 17.983 -10.095 18.151 1.00 0.00 H new ATOM 0 HG23 THR A 15 19.013 -11.221 19.067 1.00 0.00 H new ATOM 193 N LYS A 16 17.912 -13.128 17.409 1.00 0.00 N ATOM 194 CA LYS A 16 16.560 -13.595 17.800 1.00 0.00 C ATOM 195 C LYS A 16 16.201 -13.137 19.210 1.00 0.00 C ATOM 196 O LYS A 16 15.987 -13.946 20.092 1.00 0.00 O ATOM 197 CB LYS A 16 16.557 -15.129 17.760 1.00 0.00 C ATOM 198 CG LYS A 16 16.981 -15.587 16.362 1.00 0.00 C ATOM 199 CD LYS A 16 16.598 -17.056 16.176 1.00 0.00 C ATOM 200 CE LYS A 16 17.312 -17.603 14.938 1.00 0.00 C ATOM 201 NZ LYS A 16 16.445 -18.584 14.226 1.00 0.00 N ATOM 0 H LYS A 16 18.687 -13.706 17.735 1.00 0.00 H new ATOM 0 HA LYS A 16 15.827 -13.177 17.110 1.00 0.00 H new ATOM 0 HB2 LYS A 16 17.239 -15.527 18.511 1.00 0.00 H new ATOM 0 HB3 LYS A 16 15.564 -15.511 17.997 1.00 0.00 H new ATOM 0 HG2 LYS A 16 16.496 -14.973 15.603 1.00 0.00 H new ATOM 0 HG3 LYS A 16 18.056 -15.460 16.235 1.00 0.00 H new ATOM 0 HD2 LYS A 16 16.878 -17.633 17.058 1.00 0.00 H new ATOM 0 HD3 LYS A 16 15.518 -17.152 16.061 1.00 0.00 H new ATOM 0 HE2 LYS A 16 17.570 -16.783 14.268 1.00 0.00 H new ATOM 0 HE3 LYS A 16 18.247 -18.081 15.231 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 16.945 -18.945 13.389 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 16.220 -19.375 14.863 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 15.564 -18.117 13.929 1.00 0.00 H new ATOM 215 N SER A 17 16.140 -11.843 19.399 1.00 0.00 N ATOM 216 CA SER A 17 15.796 -11.323 20.747 1.00 0.00 C ATOM 217 C SER A 17 14.282 -11.254 20.918 1.00 0.00 C ATOM 218 O SER A 17 13.584 -12.197 20.607 1.00 0.00 O ATOM 219 CB SER A 17 16.382 -9.910 20.897 1.00 0.00 C ATOM 220 OG SER A 17 17.782 -10.099 20.766 1.00 0.00 O ATOM 0 H SER A 17 16.312 -11.135 18.685 1.00 0.00 H new ATOM 0 HA SER A 17 16.208 -11.990 21.504 1.00 0.00 H new ATOM 0 HB2 SER A 17 15.998 -9.236 20.131 1.00 0.00 H new ATOM 0 HB3 SER A 17 16.128 -9.474 21.863 1.00 0.00 H new ATOM 0 HG SER A 17 18.248 -9.271 21.005 1.00 0.00 H new ATOM 226 N ASN A 18 13.795 -10.144 21.409 1.00 0.00 N ATOM 227 CA ASN A 18 12.327 -10.032 21.594 1.00 0.00 C ATOM 228 C ASN A 18 11.869 -8.554 21.720 1.00 0.00 C ATOM 229 O ASN A 18 11.924 -8.002 22.802 1.00 0.00 O ATOM 230 CB ASN A 18 11.973 -10.747 22.906 1.00 0.00 C ATOM 231 CG ASN A 18 10.471 -10.611 23.164 1.00 0.00 C ATOM 232 OD1 ASN A 18 10.041 -9.835 23.994 1.00 0.00 O ATOM 233 ND2 ASN A 18 9.641 -11.345 22.475 1.00 0.00 N ATOM 0 H ASN A 18 14.341 -9.328 21.684 1.00 0.00 H new ATOM 0 HA ASN A 18 11.832 -10.471 20.728 1.00 0.00 H new ATOM 0 HB2 ASN A 18 12.250 -11.800 22.847 1.00 0.00 H new ATOM 0 HB3 ASN A 18 12.537 -10.315 23.733 1.00 0.00 H new ATOM 0 HD21 ASN A 18 8.637 -11.266 22.634 1.00 0.00 H new ATOM 0 HD22 ASN A 18 9.996 -11.998 21.777 1.00 0.00 H new ATOM 240 N PRO A 19 11.417 -7.918 20.624 1.00 0.00 N ATOM 241 CA PRO A 19 11.328 -8.506 19.265 1.00 0.00 C ATOM 242 C PRO A 19 12.726 -8.715 18.648 1.00 0.00 C ATOM 243 O PRO A 19 13.711 -8.231 19.169 1.00 0.00 O ATOM 244 CB PRO A 19 10.582 -7.439 18.432 1.00 0.00 C ATOM 245 CG PRO A 19 10.351 -6.201 19.344 1.00 0.00 C ATOM 246 CD PRO A 19 10.929 -6.535 20.725 1.00 0.00 C ATOM 0 HA PRO A 19 10.834 -9.477 19.288 1.00 0.00 H new ATOM 0 HB2 PRO A 19 11.166 -7.163 17.554 1.00 0.00 H new ATOM 0 HB3 PRO A 19 9.631 -7.831 18.072 1.00 0.00 H new ATOM 0 HG2 PRO A 19 10.839 -5.320 18.926 1.00 0.00 H new ATOM 0 HG3 PRO A 19 9.288 -5.972 19.418 1.00 0.00 H new ATOM 0 HD2 PRO A 19 11.737 -5.852 20.988 1.00 0.00 H new ATOM 0 HD3 PRO A 19 10.169 -6.443 21.501 1.00 0.00 H new ATOM 254 N PRO A 20 12.783 -9.440 17.541 1.00 0.00 N ATOM 255 CA PRO A 20 14.057 -9.705 16.857 1.00 0.00 C ATOM 256 C PRO A 20 14.672 -8.420 16.289 1.00 0.00 C ATOM 257 O PRO A 20 14.138 -7.341 16.454 1.00 0.00 O ATOM 258 CB PRO A 20 13.688 -10.640 15.688 1.00 0.00 C ATOM 259 CG PRO A 20 12.137 -10.752 15.652 1.00 0.00 C ATOM 260 CD PRO A 20 11.600 -10.063 16.913 1.00 0.00 C ATOM 0 HA PRO A 20 14.788 -10.132 17.544 1.00 0.00 H new ATOM 0 HB2 PRO A 20 14.066 -10.243 14.746 1.00 0.00 H new ATOM 0 HB3 PRO A 20 14.140 -11.622 15.825 1.00 0.00 H new ATOM 0 HG2 PRO A 20 11.738 -10.277 14.755 1.00 0.00 H new ATOM 0 HG3 PRO A 20 11.828 -11.797 15.624 1.00 0.00 H new ATOM 0 HD2 PRO A 20 10.846 -9.316 16.664 1.00 0.00 H new ATOM 0 HD3 PRO A 20 11.128 -10.781 17.584 1.00 0.00 H new ATOM 268 N GLN A 21 15.785 -8.578 15.632 1.00 0.00 N ATOM 269 CA GLN A 21 16.481 -7.414 15.030 1.00 0.00 C ATOM 270 C GLN A 21 17.267 -7.895 13.819 1.00 0.00 C ATOM 271 O GLN A 21 17.517 -9.078 13.699 1.00 0.00 O ATOM 272 CB GLN A 21 17.458 -6.858 16.072 1.00 0.00 C ATOM 273 CG GLN A 21 17.177 -5.371 16.294 1.00 0.00 C ATOM 274 CD GLN A 21 18.211 -4.799 17.267 1.00 0.00 C ATOM 275 OE1 GLN A 21 19.260 -5.373 17.483 1.00 0.00 O ATOM 276 NE2 GLN A 21 17.955 -3.672 17.873 1.00 0.00 N ATOM 0 H GLN A 21 16.246 -9.476 15.486 1.00 0.00 H new ATOM 0 HA GLN A 21 15.768 -6.646 14.729 1.00 0.00 H new ATOM 0 HB2 GLN A 21 17.354 -7.403 17.010 1.00 0.00 H new ATOM 0 HB3 GLN A 21 18.485 -6.998 15.734 1.00 0.00 H new ATOM 0 HG2 GLN A 21 17.219 -4.836 15.345 1.00 0.00 H new ATOM 0 HG3 GLN A 21 16.172 -5.235 16.693 1.00 0.00 H new ATOM 0 HE21 GLN A 21 17.076 -3.186 17.696 1.00 0.00 H new ATOM 0 HE22 GLN A 21 18.634 -3.277 18.524 1.00 0.00 H new ATOM 285 N CYS A 22 17.648 -7.007 12.928 1.00 0.00 N ATOM 286 CA CYS A 22 18.415 -7.514 11.756 1.00 0.00 C ATOM 287 C CYS A 22 19.321 -6.483 11.111 1.00 0.00 C ATOM 288 O CYS A 22 18.874 -5.559 10.475 1.00 0.00 O ATOM 289 CB CYS A 22 17.422 -8.030 10.717 1.00 0.00 C ATOM 290 SG CYS A 22 16.830 -9.729 10.927 1.00 0.00 S ATOM 0 H CYS A 22 17.470 -6.003 12.959 1.00 0.00 H new ATOM 0 HA CYS A 22 19.071 -8.303 12.125 1.00 0.00 H new ATOM 0 HB2 CYS A 22 16.557 -7.367 10.715 1.00 0.00 H new ATOM 0 HB3 CYS A 22 17.887 -7.951 9.734 1.00 0.00 H new ATOM 295 N ARG A 23 20.599 -6.702 11.273 1.00 0.00 N ATOM 296 CA ARG A 23 21.602 -5.776 10.693 1.00 0.00 C ATOM 297 C ARG A 23 22.318 -6.481 9.549 1.00 0.00 C ATOM 298 O ARG A 23 22.585 -7.664 9.621 1.00 0.00 O ATOM 299 CB ARG A 23 22.623 -5.404 11.799 1.00 0.00 C ATOM 300 CG ARG A 23 24.046 -5.310 11.217 1.00 0.00 C ATOM 301 CD ARG A 23 24.952 -4.623 12.237 1.00 0.00 C ATOM 302 NE ARG A 23 24.813 -5.314 13.549 1.00 0.00 N ATOM 303 CZ ARG A 23 25.506 -6.395 13.777 1.00 0.00 C ATOM 304 NH1 ARG A 23 26.804 -6.305 13.869 1.00 0.00 N ATOM 305 NH2 ARG A 23 24.877 -7.532 13.902 1.00 0.00 N ATOM 0 H ARG A 23 20.989 -7.491 11.788 1.00 0.00 H new ATOM 0 HA ARG A 23 21.120 -4.874 10.317 1.00 0.00 H new ATOM 0 HB2 ARG A 23 22.346 -4.452 12.251 1.00 0.00 H new ATOM 0 HB3 ARG A 23 22.597 -6.152 12.591 1.00 0.00 H new ATOM 0 HG2 ARG A 23 24.425 -6.305 10.986 1.00 0.00 H new ATOM 0 HG3 ARG A 23 24.035 -4.748 10.283 1.00 0.00 H new ATOM 0 HD2 ARG A 23 25.989 -4.655 11.902 1.00 0.00 H new ATOM 0 HD3 ARG A 23 24.681 -3.572 12.334 1.00 0.00 H new ATOM 0 HE ARG A 23 24.183 -4.946 14.261 1.00 0.00 H new ATOM 0 HH11 ARG A 23 27.261 -5.399 13.763 1.00 0.00 H new ATOM 0 HH12 ARG A 23 27.362 -7.140 14.047 1.00 0.00 H new ATOM 0 HH21 ARG A 23 23.861 -7.564 13.821 1.00 0.00 H new ATOM 0 HH22 ARG A 23 25.402 -8.388 14.081 1.00 0.00 H new ATOM 319 N CYS A 24 22.615 -5.749 8.517 1.00 0.00 N ATOM 320 CA CYS A 24 23.311 -6.370 7.367 1.00 0.00 C ATOM 321 C CYS A 24 24.279 -5.377 6.730 1.00 0.00 C ATOM 322 O CYS A 24 24.337 -4.235 7.141 1.00 0.00 O ATOM 323 CB CYS A 24 22.253 -6.788 6.352 1.00 0.00 C ATOM 324 SG CYS A 24 22.826 -7.402 4.766 1.00 0.00 S ATOM 0 H CYS A 24 22.407 -4.755 8.421 1.00 0.00 H new ATOM 0 HA CYS A 24 23.886 -7.234 7.700 1.00 0.00 H new ATOM 0 HB2 CYS A 24 21.635 -7.561 6.809 1.00 0.00 H new ATOM 0 HB3 CYS A 24 21.606 -5.930 6.167 1.00 0.00 H new ATOM 329 N SER A 25 25.010 -5.816 5.724 1.00 0.00 N ATOM 330 CA SER A 25 25.973 -4.877 5.077 1.00 0.00 C ATOM 331 C SER A 25 26.734 -4.160 6.178 1.00 0.00 C ATOM 332 O SER A 25 27.066 -2.994 6.084 1.00 0.00 O ATOM 333 CB SER A 25 25.178 -3.858 4.249 1.00 0.00 C ATOM 334 OG SER A 25 25.909 -3.752 3.035 1.00 0.00 O ATOM 0 H SER A 25 24.979 -6.759 5.336 1.00 0.00 H new ATOM 0 HA SER A 25 26.668 -5.409 4.427 1.00 0.00 H new ATOM 0 HB2 SER A 25 24.158 -4.198 4.072 1.00 0.00 H new ATOM 0 HB3 SER A 25 25.110 -2.897 4.758 1.00 0.00 H new ATOM 0 HG SER A 25 25.464 -3.114 2.440 1.00 0.00 H new ATOM 340 N ASP A 26 26.994 -4.913 7.203 1.00 0.00 N ATOM 341 CA ASP A 26 27.726 -4.389 8.385 1.00 0.00 C ATOM 342 C ASP A 26 29.030 -3.645 8.064 1.00 0.00 C ATOM 343 O ASP A 26 29.110 -2.447 8.257 1.00 0.00 O ATOM 344 CB ASP A 26 28.056 -5.581 9.302 1.00 0.00 C ATOM 345 CG ASP A 26 27.215 -6.793 8.897 1.00 0.00 C ATOM 346 OD1 ASP A 26 26.023 -6.594 8.730 1.00 0.00 O ATOM 347 OD2 ASP A 26 27.812 -7.851 8.774 1.00 0.00 O ATOM 0 H ASP A 26 26.724 -5.894 7.274 1.00 0.00 H new ATOM 0 HA ASP A 26 27.072 -3.653 8.853 1.00 0.00 H new ATOM 0 HB2 ASP A 26 29.117 -5.823 9.232 1.00 0.00 H new ATOM 0 HB3 ASP A 26 27.856 -5.319 10.341 1.00 0.00 H new ATOM 352 N MET A 27 30.029 -4.348 7.583 1.00 0.00 N ATOM 353 CA MET A 27 31.308 -3.657 7.273 1.00 0.00 C ATOM 354 C MET A 27 31.452 -3.201 5.827 1.00 0.00 C ATOM 355 O MET A 27 30.853 -3.736 4.917 1.00 0.00 O ATOM 356 CB MET A 27 32.463 -4.630 7.548 1.00 0.00 C ATOM 357 CG MET A 27 31.970 -5.846 8.331 1.00 0.00 C ATOM 358 SD MET A 27 33.232 -6.966 8.983 1.00 0.00 S ATOM 359 CE MET A 27 32.128 -8.337 9.392 1.00 0.00 C ATOM 0 H MET A 27 30.010 -5.351 7.397 1.00 0.00 H new ATOM 0 HA MET A 27 31.323 -2.765 7.900 1.00 0.00 H new ATOM 0 HB2 MET A 27 32.905 -4.953 6.606 1.00 0.00 H new ATOM 0 HB3 MET A 27 33.247 -4.122 8.110 1.00 0.00 H new ATOM 0 HG2 MET A 27 31.368 -5.490 9.167 1.00 0.00 H new ATOM 0 HG3 MET A 27 31.308 -6.421 7.683 1.00 0.00 H new ATOM 0 HE1 MET A 27 32.442 -8.788 10.333 1.00 0.00 H new ATOM 0 HE2 MET A 27 31.108 -7.966 9.490 1.00 0.00 H new ATOM 0 HE3 MET A 27 32.168 -9.085 8.600 1.00 0.00 H new ATOM 369 N ARG A 28 32.274 -2.194 5.679 1.00 0.00 N ATOM 370 CA ARG A 28 32.560 -1.603 4.352 1.00 0.00 C ATOM 371 C ARG A 28 33.864 -0.817 4.466 1.00 0.00 C ATOM 372 O ARG A 28 34.431 -0.755 5.539 1.00 0.00 O ATOM 373 CB ARG A 28 31.428 -0.657 3.917 1.00 0.00 C ATOM 374 CG ARG A 28 30.613 -0.193 5.111 1.00 0.00 C ATOM 375 CD ARG A 28 29.675 0.923 4.635 1.00 0.00 C ATOM 376 NE ARG A 28 28.531 1.026 5.569 1.00 0.00 N ATOM 377 CZ ARG A 28 28.754 0.942 6.839 1.00 0.00 C ATOM 378 NH1 ARG A 28 29.340 1.940 7.438 1.00 0.00 N ATOM 379 NH2 ARG A 28 28.396 -0.141 7.466 1.00 0.00 N ATOM 0 H ARG A 28 32.770 -1.749 6.451 1.00 0.00 H new ATOM 0 HA ARG A 28 32.641 -2.394 3.607 1.00 0.00 H new ATOM 0 HB2 ARG A 28 31.849 0.207 3.403 1.00 0.00 H new ATOM 0 HB3 ARG A 28 30.778 -1.166 3.205 1.00 0.00 H new ATOM 0 HG2 ARG A 28 30.040 -1.022 5.527 1.00 0.00 H new ATOM 0 HG3 ARG A 28 31.268 0.171 5.902 1.00 0.00 H new ATOM 0 HD2 ARG A 28 30.211 1.871 4.591 1.00 0.00 H new ATOM 0 HD3 ARG A 28 29.319 0.711 3.627 1.00 0.00 H new ATOM 0 HE ARG A 28 27.583 1.161 5.216 1.00 0.00 H new ATOM 0 HH11 ARG A 28 29.613 2.766 6.905 1.00 0.00 H new ATOM 0 HH12 ARG A 28 29.526 1.895 8.440 1.00 0.00 H new ATOM 0 HH21 ARG A 28 27.949 -0.902 6.955 1.00 0.00 H new ATOM 0 HH22 ARG A 28 28.562 -0.229 8.469 1.00 0.00 H new ATOM 393 N LEU A 29 34.322 -0.228 3.385 1.00 0.00 N ATOM 394 CA LEU A 29 35.603 0.545 3.475 1.00 0.00 C ATOM 395 C LEU A 29 35.364 2.054 3.453 1.00 0.00 C ATOM 396 O LEU A 29 36.136 2.791 3.988 1.00 0.00 O ATOM 397 CB LEU A 29 36.508 0.150 2.273 1.00 0.00 C ATOM 398 CG LEU A 29 38.011 0.346 2.628 1.00 0.00 C ATOM 399 CD1 LEU A 29 38.850 -0.690 1.878 1.00 0.00 C ATOM 400 CD2 LEU A 29 38.465 1.744 2.199 1.00 0.00 C ATOM 0 H LEU A 29 33.878 -0.247 2.467 1.00 0.00 H new ATOM 0 HA LEU A 29 36.083 0.301 4.423 1.00 0.00 H new ATOM 0 HB2 LEU A 29 36.326 -0.890 2.001 1.00 0.00 H new ATOM 0 HB3 LEU A 29 36.252 0.756 1.404 1.00 0.00 H new ATOM 0 HG LEU A 29 38.141 0.228 3.704 1.00 0.00 H new ATOM 0 HD11 LEU A 29 39.903 -0.554 2.126 1.00 0.00 H new ATOM 0 HD12 LEU A 29 38.535 -1.692 2.169 1.00 0.00 H new ATOM 0 HD13 LEU A 29 38.710 -0.563 0.804 1.00 0.00 H new ATOM 0 HD21 LEU A 29 39.517 1.877 2.449 1.00 0.00 H new ATOM 0 HD22 LEU A 29 38.331 1.856 1.123 1.00 0.00 H new ATOM 0 HD23 LEU A 29 37.870 2.495 2.719 1.00 0.00 H new ATOM 412 N ASN A 30 34.287 2.465 2.858 1.00 0.00 N ATOM 413 CA ASN A 30 33.972 3.935 2.784 1.00 0.00 C ATOM 414 C ASN A 30 32.654 4.294 3.485 1.00 0.00 C ATOM 415 O ASN A 30 31.997 3.453 4.065 1.00 0.00 O ATOM 416 CB ASN A 30 33.840 4.314 1.302 1.00 0.00 C ATOM 417 CG ASN A 30 34.211 5.787 1.117 1.00 0.00 C ATOM 418 OD1 ASN A 30 33.363 6.657 1.114 1.00 0.00 O ATOM 419 ND2 ASN A 30 35.464 6.107 0.952 1.00 0.00 N ATOM 0 H ASN A 30 33.601 1.854 2.414 1.00 0.00 H new ATOM 0 HA ASN A 30 34.774 4.476 3.285 1.00 0.00 H new ATOM 0 HB2 ASN A 30 34.491 3.685 0.695 1.00 0.00 H new ATOM 0 HB3 ASN A 30 32.820 4.139 0.960 1.00 0.00 H new ATOM 0 HD21 ASN A 30 35.728 7.084 0.821 1.00 0.00 H new ATOM 0 HD22 ASN A 30 36.180 5.381 0.954 1.00 0.00 H new ATOM 426 N SER A 31 32.302 5.560 3.395 1.00 0.00 N ATOM 427 CA SER A 31 31.040 6.055 4.031 1.00 0.00 C ATOM 428 C SER A 31 29.837 5.168 3.719 1.00 0.00 C ATOM 429 O SER A 31 29.831 4.435 2.749 1.00 0.00 O ATOM 430 CB SER A 31 30.756 7.457 3.470 1.00 0.00 C ATOM 431 OG SER A 31 31.970 8.165 3.674 1.00 0.00 O ATOM 0 H SER A 31 32.841 6.273 2.904 1.00 0.00 H new ATOM 0 HA SER A 31 31.181 6.054 5.112 1.00 0.00 H new ATOM 0 HB2 SER A 31 30.491 7.417 2.414 1.00 0.00 H new ATOM 0 HB3 SER A 31 29.925 7.933 3.990 1.00 0.00 H new ATOM 0 HG SER A 31 31.875 9.081 3.338 1.00 0.00 H new ATOM 437 N CYS A 32 28.837 5.258 4.565 1.00 0.00 N ATOM 438 CA CYS A 32 27.614 4.442 4.356 1.00 0.00 C ATOM 439 C CYS A 32 26.615 5.252 3.528 1.00 0.00 C ATOM 440 O CYS A 32 26.798 6.438 3.339 1.00 0.00 O ATOM 441 CB CYS A 32 26.994 4.116 5.740 1.00 0.00 C ATOM 442 SG CYS A 32 28.040 4.357 7.206 1.00 0.00 S ATOM 0 H CYS A 32 28.822 5.862 5.387 1.00 0.00 H new ATOM 0 HA CYS A 32 27.858 3.517 3.833 1.00 0.00 H new ATOM 0 HB2 CYS A 32 26.100 4.728 5.861 1.00 0.00 H new ATOM 0 HB3 CYS A 32 26.669 3.076 5.726 1.00 0.00 H new ATOM 447 N HIS A 33 25.580 4.619 3.043 1.00 0.00 N ATOM 448 CA HIS A 33 24.597 5.388 2.232 1.00 0.00 C ATOM 449 C HIS A 33 23.577 6.111 3.120 1.00 0.00 C ATOM 450 O HIS A 33 23.945 6.723 4.103 1.00 0.00 O ATOM 451 CB HIS A 33 23.872 4.425 1.279 1.00 0.00 C ATOM 452 CG HIS A 33 23.143 3.360 2.082 1.00 0.00 C ATOM 453 ND1 HIS A 33 23.440 3.011 3.245 1.00 0.00 N ATOM 454 CD2 HIS A 33 22.065 2.580 1.727 1.00 0.00 C ATOM 455 CE1 HIS A 33 22.665 2.097 3.660 1.00 0.00 C ATOM 456 NE2 HIS A 33 21.753 1.756 2.754 1.00 0.00 N ATOM 0 H HIS A 33 25.377 3.628 3.169 1.00 0.00 H new ATOM 0 HA HIS A 33 25.135 6.147 1.663 1.00 0.00 H new ATOM 0 HB2 HIS A 33 23.164 4.976 0.660 1.00 0.00 H new ATOM 0 HB3 HIS A 33 24.589 3.958 0.604 1.00 0.00 H new ATOM 0 HD2 HIS A 33 21.550 2.620 0.779 1.00 0.00 H new ATOM 0 HE1 HIS A 33 22.737 1.646 4.639 1.00 0.00 H new ATOM 0 HE2 HIS A 33 21.013 1.057 2.817 1.00 0.00 H new ATOM 464 N SER A 34 22.315 6.025 2.763 1.00 0.00 N ATOM 465 CA SER A 34 21.272 6.711 3.582 1.00 0.00 C ATOM 466 C SER A 34 20.553 5.767 4.534 1.00 0.00 C ATOM 467 O SER A 34 20.044 6.187 5.553 1.00 0.00 O ATOM 468 CB SER A 34 20.238 7.311 2.624 1.00 0.00 C ATOM 469 OG SER A 34 20.713 6.956 1.334 1.00 0.00 O ATOM 0 H SER A 34 21.969 5.515 1.950 1.00 0.00 H new ATOM 0 HA SER A 34 21.767 7.471 4.187 1.00 0.00 H new ATOM 0 HB2 SER A 34 19.243 6.906 2.807 1.00 0.00 H new ATOM 0 HB3 SER A 34 20.168 8.393 2.739 1.00 0.00 H new ATOM 0 HG SER A 34 20.101 7.304 0.653 1.00 0.00 H new ATOM 475 N ALA A 35 20.517 4.522 4.199 1.00 0.00 N ATOM 476 CA ALA A 35 19.825 3.564 5.099 1.00 0.00 C ATOM 477 C ALA A 35 20.724 3.211 6.281 1.00 0.00 C ATOM 478 O ALA A 35 20.831 2.068 6.680 1.00 0.00 O ATOM 479 CB ALA A 35 19.481 2.292 4.303 1.00 0.00 C ATOM 0 H ALA A 35 20.928 4.123 3.355 1.00 0.00 H new ATOM 0 HA ALA A 35 18.911 4.018 5.482 1.00 0.00 H new ATOM 0 HB1 ALA A 35 18.972 1.581 4.955 1.00 0.00 H new ATOM 0 HB2 ALA A 35 18.829 2.550 3.469 1.00 0.00 H new ATOM 0 HB3 ALA A 35 20.398 1.842 3.921 1.00 0.00 H new ATOM 485 N CYS A 36 21.344 4.223 6.822 1.00 0.00 N ATOM 486 CA CYS A 36 22.245 4.013 7.972 1.00 0.00 C ATOM 487 C CYS A 36 22.446 5.324 8.720 1.00 0.00 C ATOM 488 O CYS A 36 23.271 6.133 8.344 1.00 0.00 O ATOM 489 CB CYS A 36 23.605 3.539 7.446 1.00 0.00 C ATOM 490 SG CYS A 36 23.826 1.765 7.164 1.00 0.00 S ATOM 0 H CYS A 36 21.260 5.190 6.509 1.00 0.00 H new ATOM 0 HA CYS A 36 21.810 3.274 8.644 1.00 0.00 H new ATOM 0 HB2 CYS A 36 23.799 4.055 6.506 1.00 0.00 H new ATOM 0 HB3 CYS A 36 24.369 3.864 8.152 1.00 0.00 H new ATOM 495 N LYS A 37 21.691 5.512 9.762 1.00 0.00 N ATOM 496 CA LYS A 37 21.829 6.768 10.543 1.00 0.00 C ATOM 497 C LYS A 37 22.888 6.606 11.602 1.00 0.00 C ATOM 498 O LYS A 37 23.791 7.408 11.721 1.00 0.00 O ATOM 499 CB LYS A 37 20.483 7.085 11.217 1.00 0.00 C ATOM 500 CG LYS A 37 19.712 8.101 10.364 1.00 0.00 C ATOM 501 CD LYS A 37 19.398 7.479 9.001 1.00 0.00 C ATOM 502 CE LYS A 37 18.454 8.407 8.234 1.00 0.00 C ATOM 503 NZ LYS A 37 18.765 8.376 6.776 1.00 0.00 N ATOM 0 H LYS A 37 20.989 4.856 10.105 1.00 0.00 H new ATOM 0 HA LYS A 37 22.117 7.579 9.875 1.00 0.00 H new ATOM 0 HB2 LYS A 37 19.898 6.173 11.333 1.00 0.00 H new ATOM 0 HB3 LYS A 37 20.650 7.486 12.217 1.00 0.00 H new ATOM 0 HG2 LYS A 37 18.789 8.390 10.867 1.00 0.00 H new ATOM 0 HG3 LYS A 37 20.302 9.008 10.236 1.00 0.00 H new ATOM 0 HD2 LYS A 37 20.318 7.327 8.436 1.00 0.00 H new ATOM 0 HD3 LYS A 37 18.939 6.499 9.131 1.00 0.00 H new ATOM 0 HE2 LYS A 37 17.421 8.102 8.398 1.00 0.00 H new ATOM 0 HE3 LYS A 37 18.549 9.425 8.611 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 17.884 8.470 6.231 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 19.404 9.162 6.540 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 19.225 7.474 6.538 1.00 0.00 H new ATOM 517 N SER A 38 22.754 5.571 12.353 1.00 0.00 N ATOM 518 CA SER A 38 23.742 5.319 13.419 1.00 0.00 C ATOM 519 C SER A 38 24.928 4.572 12.838 1.00 0.00 C ATOM 520 O SER A 38 25.087 3.395 13.055 1.00 0.00 O ATOM 521 CB SER A 38 23.085 4.456 14.507 1.00 0.00 C ATOM 522 OG SER A 38 22.244 5.361 15.208 1.00 0.00 O ATOM 0 H SER A 38 22.003 4.885 12.278 1.00 0.00 H new ATOM 0 HA SER A 38 24.080 6.264 13.844 1.00 0.00 H new ATOM 0 HB2 SER A 38 22.513 3.635 14.073 1.00 0.00 H new ATOM 0 HB3 SER A 38 23.830 4.012 15.167 1.00 0.00 H new ATOM 0 HG SER A 38 21.780 4.885 15.928 1.00 0.00 H new ATOM 528 N CYS A 39 25.724 5.277 12.083 1.00 0.00 N ATOM 529 CA CYS A 39 26.916 4.640 11.463 1.00 0.00 C ATOM 530 C CYS A 39 28.216 5.132 12.061 1.00 0.00 C ATOM 531 O CYS A 39 28.373 6.298 12.367 1.00 0.00 O ATOM 532 CB CYS A 39 26.941 4.996 9.962 1.00 0.00 C ATOM 533 SG CYS A 39 26.940 3.641 8.754 1.00 0.00 S ATOM 0 H CYS A 39 25.599 6.267 11.869 1.00 0.00 H new ATOM 0 HA CYS A 39 26.836 3.567 11.638 1.00 0.00 H new ATOM 0 HB2 CYS A 39 26.076 5.626 9.756 1.00 0.00 H new ATOM 0 HB3 CYS A 39 27.828 5.603 9.779 1.00 0.00 H new ATOM 538 N ILE A 40 29.122 4.219 12.217 1.00 0.00 N ATOM 539 CA ILE A 40 30.440 4.570 12.782 1.00 0.00 C ATOM 540 C ILE A 40 31.309 4.713 11.573 1.00 0.00 C ATOM 541 O ILE A 40 31.002 4.092 10.575 1.00 0.00 O ATOM 542 CB ILE A 40 30.953 3.404 13.646 1.00 0.00 C ATOM 543 CG1 ILE A 40 29.938 3.045 14.729 1.00 0.00 C ATOM 544 CG2 ILE A 40 32.260 3.834 14.329 1.00 0.00 C ATOM 545 CD1 ILE A 40 30.058 1.552 15.039 1.00 0.00 C ATOM 0 H ILE A 40 29.003 3.235 11.974 1.00 0.00 H new ATOM 0 HA ILE A 40 30.419 5.463 13.407 1.00 0.00 H new ATOM 0 HB ILE A 40 31.112 2.537 13.005 1.00 0.00 H new ATOM 0 HG12 ILE A 40 30.121 3.633 15.628 1.00 0.00 H new ATOM 0 HG13 ILE A 40 28.928 3.281 14.394 1.00 0.00 H new ATOM 0 HG21 ILE A 40 32.635 3.016 14.945 1.00 0.00 H new ATOM 0 HG22 ILE A 40 33.001 4.086 13.570 1.00 0.00 H new ATOM 0 HG23 ILE A 40 32.073 4.705 14.957 1.00 0.00 H new ATOM 0 HD11 ILE A 40 29.338 1.282 15.812 1.00 0.00 H new ATOM 0 HD12 ILE A 40 29.855 0.976 14.136 1.00 0.00 H new ATOM 0 HD13 ILE A 40 31.066 1.333 15.390 1.00 0.00 H new ATOM 557 N CYS A 41 32.362 5.477 11.577 1.00 0.00 N ATOM 558 CA CYS A 41 33.068 5.478 10.292 1.00 0.00 C ATOM 559 C CYS A 41 34.424 6.195 10.330 1.00 0.00 C ATOM 560 O CYS A 41 34.612 7.167 11.036 1.00 0.00 O ATOM 561 CB CYS A 41 32.103 6.185 9.326 1.00 0.00 C ATOM 562 SG CYS A 41 31.218 5.158 8.106 1.00 0.00 S ATOM 0 H CYS A 41 32.731 6.047 12.338 1.00 0.00 H new ATOM 0 HA CYS A 41 33.316 4.460 9.992 1.00 0.00 H new ATOM 0 HB2 CYS A 41 31.359 6.713 9.922 1.00 0.00 H new ATOM 0 HB3 CYS A 41 32.669 6.941 8.781 1.00 0.00 H new ATOM 567 N ALA A 42 35.340 5.676 9.537 1.00 0.00 N ATOM 568 CA ALA A 42 36.710 6.261 9.466 1.00 0.00 C ATOM 569 C ALA A 42 36.881 7.163 8.244 1.00 0.00 C ATOM 570 O ALA A 42 36.609 6.765 7.108 1.00 0.00 O ATOM 571 CB ALA A 42 37.736 5.129 9.392 1.00 0.00 C ATOM 0 H ALA A 42 35.189 4.867 8.935 1.00 0.00 H new ATOM 0 HA ALA A 42 36.862 6.866 10.360 1.00 0.00 H new ATOM 0 HB1 ALA A 42 38.740 5.551 9.340 1.00 0.00 H new ATOM 0 HB2 ALA A 42 37.651 4.502 10.280 1.00 0.00 H new ATOM 0 HB3 ALA A 42 37.549 4.526 8.503 1.00 0.00 H new ATOM 577 N LEU A 43 37.463 8.303 8.553 1.00 0.00 N ATOM 578 CA LEU A 43 37.772 9.418 7.601 1.00 0.00 C ATOM 579 C LEU A 43 37.740 9.152 6.087 1.00 0.00 C ATOM 580 O LEU A 43 36.695 9.242 5.473 1.00 0.00 O ATOM 581 CB LEU A 43 39.170 9.897 7.968 1.00 0.00 C ATOM 582 CG LEU A 43 39.097 10.681 9.281 1.00 0.00 C ATOM 583 CD1 LEU A 43 40.407 10.499 10.047 1.00 0.00 C ATOM 584 CD2 LEU A 43 38.896 12.163 8.971 1.00 0.00 C ATOM 0 H LEU A 43 37.757 8.514 9.507 1.00 0.00 H new ATOM 0 HA LEU A 43 36.956 10.129 7.729 1.00 0.00 H new ATOM 0 HB2 LEU A 43 39.844 9.047 8.074 1.00 0.00 H new ATOM 0 HB3 LEU A 43 39.573 10.527 7.175 1.00 0.00 H new ATOM 0 HG LEU A 43 38.265 10.316 9.883 1.00 0.00 H new ATOM 0 HD11 LEU A 43 40.361 11.055 10.983 1.00 0.00 H new ATOM 0 HD12 LEU A 43 40.560 9.441 10.260 1.00 0.00 H new ATOM 0 HD13 LEU A 43 41.236 10.871 9.444 1.00 0.00 H new ATOM 0 HD21 LEU A 43 38.843 12.726 9.903 1.00 0.00 H new ATOM 0 HD22 LEU A 43 39.733 12.527 8.374 1.00 0.00 H new ATOM 0 HD23 LEU A 43 37.968 12.296 8.414 1.00 0.00 H new ATOM 596 N SER A 44 38.878 8.841 5.515 1.00 0.00 N ATOM 597 CA SER A 44 38.908 8.592 4.036 1.00 0.00 C ATOM 598 C SER A 44 39.777 7.427 3.666 1.00 0.00 C ATOM 599 O SER A 44 40.137 6.663 4.500 1.00 0.00 O ATOM 600 CB SER A 44 39.466 9.848 3.351 1.00 0.00 C ATOM 601 OG SER A 44 38.908 9.805 2.045 1.00 0.00 O ATOM 0 H SER A 44 39.773 8.750 5.996 1.00 0.00 H new ATOM 0 HA SER A 44 37.892 8.364 3.713 1.00 0.00 H new ATOM 0 HB2 SER A 44 39.173 10.755 3.880 1.00 0.00 H new ATOM 0 HB3 SER A 44 40.555 9.835 3.320 1.00 0.00 H new ATOM 0 HG SER A 44 39.625 9.875 1.381 1.00 0.00 H new ATOM 607 N TYR A 45 40.200 7.402 2.427 1.00 0.00 N ATOM 608 CA TYR A 45 41.059 6.275 1.963 1.00 0.00 C ATOM 609 C TYR A 45 42.492 6.323 2.545 1.00 0.00 C ATOM 610 O TYR A 45 43.177 7.315 2.388 1.00 0.00 O ATOM 611 CB TYR A 45 41.192 6.395 0.437 1.00 0.00 C ATOM 612 CG TYR A 45 40.071 7.277 -0.110 1.00 0.00 C ATOM 613 CD1 TYR A 45 38.860 6.722 -0.468 1.00 0.00 C ATOM 614 CD2 TYR A 45 40.259 8.635 -0.266 1.00 0.00 C ATOM 615 CE1 TYR A 45 37.852 7.514 -0.977 1.00 0.00 C ATOM 616 CE2 TYR A 45 39.250 9.426 -0.776 1.00 0.00 C ATOM 617 CZ TYR A 45 38.038 8.872 -1.136 1.00 0.00 C ATOM 618 OH TYR A 45 37.034 9.661 -1.657 1.00 0.00 O ATOM 0 H TYR A 45 39.989 8.109 1.723 1.00 0.00 H new ATOM 0 HA TYR A 45 40.591 5.347 2.291 1.00 0.00 H new ATOM 0 HB2 TYR A 45 42.162 6.821 0.179 1.00 0.00 H new ATOM 0 HB3 TYR A 45 41.146 5.407 -0.020 1.00 0.00 H new ATOM 0 HD1 TYR A 45 38.700 5.661 -0.349 1.00 0.00 H new ATOM 0 HD2 TYR A 45 41.202 9.082 0.013 1.00 0.00 H new ATOM 0 HE1 TYR A 45 36.908 7.067 -1.254 1.00 0.00 H new ATOM 0 HE2 TYR A 45 39.410 10.488 -0.895 1.00 0.00 H new ATOM 0 HH TYR A 45 37.337 10.592 -1.697 1.00 0.00 H new ATOM 628 N PRO A 46 42.944 5.231 3.224 1.00 0.00 N ATOM 629 CA PRO A 46 42.157 3.987 3.481 1.00 0.00 C ATOM 630 C PRO A 46 41.025 4.259 4.481 1.00 0.00 C ATOM 631 O PRO A 46 41.275 4.504 5.645 1.00 0.00 O ATOM 632 CB PRO A 46 43.160 3.010 4.116 1.00 0.00 C ATOM 633 CG PRO A 46 44.505 3.773 4.302 1.00 0.00 C ATOM 634 CD PRO A 46 44.312 5.200 3.758 1.00 0.00 C ATOM 0 HA PRO A 46 41.705 3.604 2.566 1.00 0.00 H new ATOM 0 HB2 PRO A 46 42.788 2.649 5.075 1.00 0.00 H new ATOM 0 HB3 PRO A 46 43.300 2.137 3.479 1.00 0.00 H new ATOM 0 HG2 PRO A 46 44.787 3.800 5.354 1.00 0.00 H new ATOM 0 HG3 PRO A 46 45.309 3.266 3.769 1.00 0.00 H new ATOM 0 HD2 PRO A 46 44.443 5.942 4.546 1.00 0.00 H new ATOM 0 HD3 PRO A 46 45.042 5.427 2.981 1.00 0.00 H new ATOM 642 N ALA A 47 39.804 4.206 4.013 1.00 0.00 N ATOM 643 CA ALA A 47 38.658 4.465 4.927 1.00 0.00 C ATOM 644 C ALA A 47 38.148 3.186 5.509 1.00 0.00 C ATOM 645 O ALA A 47 38.494 2.111 5.068 1.00 0.00 O ATOM 646 CB ALA A 47 37.487 5.063 4.115 1.00 0.00 C ATOM 0 H ALA A 47 39.555 3.996 3.046 1.00 0.00 H new ATOM 0 HA ALA A 47 39.002 5.138 5.712 1.00 0.00 H new ATOM 0 HB1 ALA A 47 36.644 5.255 4.779 1.00 0.00 H new ATOM 0 HB2 ALA A 47 37.805 5.997 3.653 1.00 0.00 H new ATOM 0 HB3 ALA A 47 37.185 4.359 3.340 1.00 0.00 H new ATOM 652 N GLN A 48 37.323 3.324 6.476 1.00 0.00 N ATOM 653 CA GLN A 48 36.749 2.124 7.118 1.00 0.00 C ATOM 654 C GLN A 48 35.370 2.498 7.522 1.00 0.00 C ATOM 655 O GLN A 48 35.136 3.649 7.764 1.00 0.00 O ATOM 656 CB GLN A 48 37.568 1.751 8.353 1.00 0.00 C ATOM 657 CG GLN A 48 39.059 1.864 8.032 1.00 0.00 C ATOM 658 CD GLN A 48 39.865 1.236 9.167 1.00 0.00 C ATOM 659 OE1 GLN A 48 39.578 0.143 9.617 1.00 0.00 O ATOM 660 NE2 GLN A 48 40.878 1.889 9.659 1.00 0.00 N ATOM 0 H GLN A 48 37.013 4.217 6.859 1.00 0.00 H new ATOM 0 HA GLN A 48 36.753 1.268 6.444 1.00 0.00 H new ATOM 0 HB2 GLN A 48 37.313 2.410 9.183 1.00 0.00 H new ATOM 0 HB3 GLN A 48 37.329 0.735 8.667 1.00 0.00 H new ATOM 0 HG2 GLN A 48 39.280 1.360 7.091 1.00 0.00 H new ATOM 0 HG3 GLN A 48 39.338 2.910 7.907 1.00 0.00 H new ATOM 0 HE21 GLN A 48 41.124 2.806 9.286 1.00 0.00 H new ATOM 0 HE22 GLN A 48 41.426 1.484 10.418 1.00 0.00 H new ATOM 669 N CYS A 49 34.441 1.592 7.558 1.00 0.00 N ATOM 670 CA CYS A 49 33.128 2.097 7.970 1.00 0.00 C ATOM 671 C CYS A 49 32.200 0.982 8.454 1.00 0.00 C ATOM 672 O CYS A 49 32.324 -0.156 8.046 1.00 0.00 O ATOM 673 CB CYS A 49 32.565 2.792 6.739 1.00 0.00 C ATOM 674 SG CYS A 49 32.573 4.609 6.753 1.00 0.00 S ATOM 0 H CYS A 49 34.525 0.600 7.337 1.00 0.00 H new ATOM 0 HA CYS A 49 33.217 2.774 8.819 1.00 0.00 H new ATOM 0 HB2 CYS A 49 33.131 2.456 5.870 1.00 0.00 H new ATOM 0 HB3 CYS A 49 31.537 2.457 6.599 1.00 0.00 H new ATOM 679 N PHE A 50 31.276 1.343 9.327 1.00 0.00 N ATOM 680 CA PHE A 50 30.327 0.323 9.860 1.00 0.00 C ATOM 681 C PHE A 50 28.934 0.912 10.116 1.00 0.00 C ATOM 682 O PHE A 50 28.785 2.101 10.322 1.00 0.00 O ATOM 683 CB PHE A 50 30.883 -0.153 11.205 1.00 0.00 C ATOM 684 CG PHE A 50 30.941 -1.677 11.248 1.00 0.00 C ATOM 685 CD1 PHE A 50 29.840 -2.407 11.654 1.00 0.00 C ATOM 686 CD2 PHE A 50 32.117 -2.343 10.950 1.00 0.00 C ATOM 687 CE1 PHE A 50 29.914 -3.779 11.771 1.00 0.00 C ATOM 688 CE2 PHE A 50 32.189 -3.716 11.069 1.00 0.00 C ATOM 689 CZ PHE A 50 31.088 -4.432 11.480 1.00 0.00 C ATOM 0 H PHE A 50 31.146 2.290 9.684 1.00 0.00 H new ATOM 0 HA PHE A 50 30.230 -0.480 9.130 1.00 0.00 H new ATOM 0 HB2 PHE A 50 31.880 0.260 11.360 1.00 0.00 H new ATOM 0 HB3 PHE A 50 30.256 0.216 12.016 1.00 0.00 H new ATOM 0 HD1 PHE A 50 28.914 -1.899 11.881 1.00 0.00 H new ATOM 0 HD2 PHE A 50 32.982 -1.786 10.623 1.00 0.00 H new ATOM 0 HE1 PHE A 50 29.049 -4.341 12.091 1.00 0.00 H new ATOM 0 HE2 PHE A 50 33.111 -4.229 10.839 1.00 0.00 H new ATOM 0 HZ PHE A 50 31.146 -5.506 11.574 1.00 0.00 H new ATOM 699 N CYS A 51 27.943 0.049 10.102 1.00 0.00 N ATOM 700 CA CYS A 51 26.547 0.500 10.340 1.00 0.00 C ATOM 701 C CYS A 51 25.891 -0.367 11.398 1.00 0.00 C ATOM 702 O CYS A 51 25.680 -1.545 11.182 1.00 0.00 O ATOM 703 CB CYS A 51 25.758 0.351 9.034 1.00 0.00 C ATOM 704 SG CYS A 51 24.064 0.999 9.017 1.00 0.00 S ATOM 0 H CYS A 51 28.050 -0.951 9.934 1.00 0.00 H new ATOM 0 HA CYS A 51 26.555 1.537 10.676 1.00 0.00 H new ATOM 0 HB2 CYS A 51 26.318 0.847 8.241 1.00 0.00 H new ATOM 0 HB3 CYS A 51 25.718 -0.709 8.781 1.00 0.00 H new ATOM 709 N VAL A 52 25.571 0.223 12.526 1.00 0.00 N ATOM 710 CA VAL A 52 24.927 -0.588 13.591 1.00 0.00 C ATOM 711 C VAL A 52 23.413 -0.525 13.465 1.00 0.00 C ATOM 712 O VAL A 52 22.700 -1.198 14.184 1.00 0.00 O ATOM 713 CB VAL A 52 25.356 -0.066 14.978 1.00 0.00 C ATOM 714 CG1 VAL A 52 26.746 -0.617 15.309 1.00 0.00 C ATOM 715 CG2 VAL A 52 25.415 1.454 14.968 1.00 0.00 C ATOM 0 H VAL A 52 25.726 1.207 12.746 1.00 0.00 H new ATOM 0 HA VAL A 52 25.245 -1.625 13.480 1.00 0.00 H new ATOM 0 HB VAL A 52 24.632 -0.392 15.725 1.00 0.00 H new ATOM 0 HG11 VAL A 52 27.058 -0.253 16.288 1.00 0.00 H new ATOM 0 HG12 VAL A 52 26.712 -1.706 15.320 1.00 0.00 H new ATOM 0 HG13 VAL A 52 27.459 -0.284 14.554 1.00 0.00 H new ATOM 0 HG21 VAL A 52 25.719 1.813 15.951 1.00 0.00 H new ATOM 0 HG22 VAL A 52 26.137 1.785 14.222 1.00 0.00 H new ATOM 0 HG23 VAL A 52 24.431 1.855 14.723 1.00 0.00 H new ATOM 725 N ASP A 53 22.938 0.287 12.549 1.00 0.00 N ATOM 726 CA ASP A 53 21.470 0.389 12.375 1.00 0.00 C ATOM 727 C ASP A 53 20.904 -0.980 12.025 1.00 0.00 C ATOM 728 O ASP A 53 21.567 -1.770 11.382 1.00 0.00 O ATOM 729 CB ASP A 53 21.184 1.357 11.219 1.00 0.00 C ATOM 730 CG ASP A 53 19.778 1.936 11.378 1.00 0.00 C ATOM 731 OD1 ASP A 53 18.851 1.191 11.112 1.00 0.00 O ATOM 732 OD2 ASP A 53 19.710 3.094 11.755 1.00 0.00 O ATOM 0 H ASP A 53 23.499 0.871 11.929 1.00 0.00 H new ATOM 0 HA ASP A 53 21.010 0.748 13.296 1.00 0.00 H new ATOM 0 HB2 ASP A 53 21.921 2.160 11.211 1.00 0.00 H new ATOM 0 HB3 ASP A 53 21.269 0.837 10.265 1.00 0.00 H new ATOM 737 N ILE A 54 19.692 -1.240 12.454 1.00 0.00 N ATOM 738 CA ILE A 54 19.074 -2.549 12.158 1.00 0.00 C ATOM 739 C ILE A 54 17.732 -2.408 11.459 1.00 0.00 C ATOM 740 O ILE A 54 17.201 -1.327 11.298 1.00 0.00 O ATOM 741 CB ILE A 54 18.840 -3.282 13.477 1.00 0.00 C ATOM 742 CG1 ILE A 54 18.589 -2.302 14.620 1.00 0.00 C ATOM 743 CG2 ILE A 54 20.084 -4.116 13.806 1.00 0.00 C ATOM 744 CD1 ILE A 54 17.320 -1.500 14.322 1.00 0.00 C ATOM 0 H ILE A 54 19.113 -0.597 12.994 1.00 0.00 H new ATOM 0 HA ILE A 54 19.749 -3.094 11.498 1.00 0.00 H new ATOM 0 HB ILE A 54 17.961 -3.917 13.368 1.00 0.00 H new ATOM 0 HG12 ILE A 54 18.481 -2.841 15.561 1.00 0.00 H new ATOM 0 HG13 ILE A 54 19.440 -1.631 14.734 1.00 0.00 H new ATOM 0 HG21 ILE A 54 19.929 -4.645 14.747 1.00 0.00 H new ATOM 0 HG22 ILE A 54 20.259 -4.838 13.008 1.00 0.00 H new ATOM 0 HG23 ILE A 54 20.949 -3.459 13.897 1.00 0.00 H new ATOM 0 HD11 ILE A 54 17.134 -0.798 15.135 1.00 0.00 H new ATOM 0 HD12 ILE A 54 17.447 -0.950 13.389 1.00 0.00 H new ATOM 0 HD13 ILE A 54 16.473 -2.180 14.230 1.00 0.00 H new ATOM 756 N THR A 55 17.226 -3.533 11.059 1.00 0.00 N ATOM 757 CA THR A 55 15.926 -3.580 10.364 1.00 0.00 C ATOM 758 C THR A 55 15.192 -4.867 10.783 1.00 0.00 C ATOM 759 O THR A 55 15.496 -5.418 11.828 1.00 0.00 O ATOM 760 CB THR A 55 16.207 -3.572 8.843 1.00 0.00 C ATOM 761 OG1 THR A 55 14.978 -3.855 8.212 1.00 0.00 O ATOM 762 CG2 THR A 55 17.137 -4.732 8.436 1.00 0.00 C ATOM 0 H THR A 55 17.672 -4.441 11.189 1.00 0.00 H new ATOM 0 HA THR A 55 15.299 -2.726 10.621 1.00 0.00 H new ATOM 0 HB THR A 55 16.656 -2.616 8.572 1.00 0.00 H new ATOM 0 HG1 THR A 55 14.908 -3.336 7.384 1.00 0.00 H new ATOM 0 HG21 THR A 55 17.314 -4.697 7.361 1.00 0.00 H new ATOM 0 HG22 THR A 55 18.087 -4.639 8.963 1.00 0.00 H new ATOM 0 HG23 THR A 55 16.669 -5.682 8.696 1.00 0.00 H new ATOM 770 N ASP A 56 14.255 -5.330 9.983 1.00 0.00 N ATOM 771 CA ASP A 56 13.527 -6.575 10.364 1.00 0.00 C ATOM 772 C ASP A 56 13.339 -7.517 9.173 1.00 0.00 C ATOM 773 O ASP A 56 12.403 -8.292 9.144 1.00 0.00 O ATOM 774 CB ASP A 56 12.142 -6.179 10.898 1.00 0.00 C ATOM 775 CG ASP A 56 12.286 -5.633 12.321 1.00 0.00 C ATOM 776 OD1 ASP A 56 12.670 -4.480 12.422 1.00 0.00 O ATOM 777 OD2 ASP A 56 12.002 -6.401 13.226 1.00 0.00 O ATOM 0 H ASP A 56 13.971 -4.905 9.100 1.00 0.00 H new ATOM 0 HA ASP A 56 14.116 -7.098 11.117 1.00 0.00 H new ATOM 0 HB2 ASP A 56 11.692 -5.426 10.251 1.00 0.00 H new ATOM 0 HB3 ASP A 56 11.477 -7.043 10.893 1.00 0.00 H new ATOM 782 N PHE A 57 14.221 -7.444 8.208 1.00 0.00 N ATOM 783 CA PHE A 57 14.064 -8.354 7.032 1.00 0.00 C ATOM 784 C PHE A 57 15.384 -8.614 6.299 1.00 0.00 C ATOM 785 O PHE A 57 15.436 -9.440 5.409 1.00 0.00 O ATOM 786 CB PHE A 57 13.070 -7.726 6.041 1.00 0.00 C ATOM 787 CG PHE A 57 13.151 -6.201 6.114 1.00 0.00 C ATOM 788 CD1 PHE A 57 12.383 -5.501 7.026 1.00 0.00 C ATOM 789 CD2 PHE A 57 13.974 -5.499 5.250 1.00 0.00 C ATOM 790 CE1 PHE A 57 12.435 -4.124 7.071 1.00 0.00 C ATOM 791 CE2 PHE A 57 14.024 -4.122 5.299 1.00 0.00 C ATOM 792 CZ PHE A 57 13.256 -3.435 6.208 1.00 0.00 C ATOM 0 H PHE A 57 15.022 -6.813 8.181 1.00 0.00 H new ATOM 0 HA PHE A 57 13.703 -9.310 7.412 1.00 0.00 H new ATOM 0 HB2 PHE A 57 13.292 -8.062 5.028 1.00 0.00 H new ATOM 0 HB3 PHE A 57 12.057 -8.056 6.271 1.00 0.00 H new ATOM 0 HD1 PHE A 57 11.738 -6.036 7.707 1.00 0.00 H new ATOM 0 HD2 PHE A 57 14.580 -6.033 4.533 1.00 0.00 H new ATOM 0 HE1 PHE A 57 11.830 -3.585 7.785 1.00 0.00 H new ATOM 0 HE2 PHE A 57 14.668 -3.582 4.621 1.00 0.00 H new ATOM 0 HZ PHE A 57 13.297 -2.356 6.245 1.00 0.00 H new ATOM 802 N CYS A 58 16.425 -7.921 6.671 1.00 0.00 N ATOM 803 CA CYS A 58 17.721 -8.147 5.984 1.00 0.00 C ATOM 804 C CYS A 58 17.571 -7.951 4.482 1.00 0.00 C ATOM 805 O CYS A 58 17.045 -8.797 3.785 1.00 0.00 O ATOM 806 CB CYS A 58 18.188 -9.585 6.257 1.00 0.00 C ATOM 807 SG CYS A 58 19.802 -9.807 7.036 1.00 0.00 S ATOM 0 H CYS A 58 16.433 -7.218 7.410 1.00 0.00 H new ATOM 0 HA CYS A 58 18.451 -7.431 6.362 1.00 0.00 H new ATOM 0 HB2 CYS A 58 17.441 -10.066 6.888 1.00 0.00 H new ATOM 0 HB3 CYS A 58 18.197 -10.121 5.308 1.00 0.00 H new ATOM 812 N TYR A 59 18.030 -6.833 4.018 1.00 0.00 N ATOM 813 CA TYR A 59 17.932 -6.543 2.566 1.00 0.00 C ATOM 814 C TYR A 59 18.432 -7.713 1.723 1.00 0.00 C ATOM 815 O TYR A 59 18.834 -8.736 2.239 1.00 0.00 O ATOM 816 CB TYR A 59 18.792 -5.308 2.240 1.00 0.00 C ATOM 817 CG TYR A 59 18.758 -4.307 3.406 1.00 0.00 C ATOM 818 CD1 TYR A 59 17.598 -4.098 4.135 1.00 0.00 C ATOM 819 CD2 TYR A 59 19.877 -3.559 3.714 1.00 0.00 C ATOM 820 CE1 TYR A 59 17.564 -3.154 5.141 1.00 0.00 C ATOM 821 CE2 TYR A 59 19.838 -2.617 4.720 1.00 0.00 C ATOM 822 CZ TYR A 59 18.682 -2.409 5.442 1.00 0.00 C ATOM 823 OH TYR A 59 18.644 -1.465 6.446 1.00 0.00 O ATOM 0 H TYR A 59 18.470 -6.104 4.580 1.00 0.00 H new ATOM 0 HA TYR A 59 16.883 -6.367 2.330 1.00 0.00 H new ATOM 0 HB2 TYR A 59 19.820 -5.614 2.045 1.00 0.00 H new ATOM 0 HB3 TYR A 59 18.424 -4.830 1.332 1.00 0.00 H new ATOM 0 HD1 TYR A 59 16.714 -4.678 3.914 1.00 0.00 H new ATOM 0 HD2 TYR A 59 20.792 -3.713 3.161 1.00 0.00 H new ATOM 0 HE1 TYR A 59 16.652 -2.998 5.698 1.00 0.00 H new ATOM 0 HE2 TYR A 59 20.721 -2.037 4.944 1.00 0.00 H new ATOM 0 HH TYR A 59 19.521 -1.034 6.523 1.00 0.00 H new ATOM 833 N GLU A 60 18.398 -7.524 0.432 1.00 0.00 N ATOM 834 CA GLU A 60 18.857 -8.591 -0.492 1.00 0.00 C ATOM 835 C GLU A 60 20.316 -8.326 -0.935 1.00 0.00 C ATOM 836 O GLU A 60 20.743 -7.189 -0.976 1.00 0.00 O ATOM 837 CB GLU A 60 17.931 -8.529 -1.724 1.00 0.00 C ATOM 838 CG GLU A 60 16.487 -8.794 -1.278 1.00 0.00 C ATOM 839 CD GLU A 60 15.756 -9.595 -2.359 1.00 0.00 C ATOM 840 OE1 GLU A 60 15.609 -9.042 -3.437 1.00 0.00 O ATOM 841 OE2 GLU A 60 15.386 -10.715 -2.046 1.00 0.00 O ATOM 0 H GLU A 60 18.070 -6.671 -0.021 1.00 0.00 H new ATOM 0 HA GLU A 60 18.822 -9.567 -0.007 1.00 0.00 H new ATOM 0 HB2 GLU A 60 18.004 -7.552 -2.201 1.00 0.00 H new ATOM 0 HB3 GLU A 60 18.238 -9.269 -2.463 1.00 0.00 H new ATOM 0 HG2 GLU A 60 16.481 -9.344 -0.337 1.00 0.00 H new ATOM 0 HG3 GLU A 60 15.972 -7.850 -1.099 1.00 0.00 H new ATOM 848 N PRO A 61 21.069 -9.382 -1.265 1.00 0.00 N ATOM 849 CA PRO A 61 22.459 -9.210 -1.695 1.00 0.00 C ATOM 850 C PRO A 61 22.577 -8.092 -2.723 1.00 0.00 C ATOM 851 O PRO A 61 21.602 -7.709 -3.340 1.00 0.00 O ATOM 852 CB PRO A 61 22.848 -10.564 -2.317 1.00 0.00 C ATOM 853 CG PRO A 61 21.719 -11.576 -1.956 1.00 0.00 C ATOM 854 CD PRO A 61 20.595 -10.782 -1.265 1.00 0.00 C ATOM 0 HA PRO A 61 23.111 -8.933 -0.867 1.00 0.00 H new ATOM 0 HB2 PRO A 61 22.954 -10.475 -3.398 1.00 0.00 H new ATOM 0 HB3 PRO A 61 23.808 -10.904 -1.930 1.00 0.00 H new ATOM 0 HG2 PRO A 61 21.345 -12.070 -2.853 1.00 0.00 H new ATOM 0 HG3 PRO A 61 22.099 -12.357 -1.297 1.00 0.00 H new ATOM 0 HD2 PRO A 61 19.652 -10.881 -1.803 1.00 0.00 H new ATOM 0 HD3 PRO A 61 20.422 -11.141 -0.251 1.00 0.00 H new ATOM 862 N CYS A 62 23.770 -7.592 -2.889 1.00 0.00 N ATOM 863 CA CYS A 62 23.971 -6.495 -3.873 1.00 0.00 C ATOM 864 C CYS A 62 24.456 -6.994 -5.212 1.00 0.00 C ATOM 865 O CYS A 62 24.886 -8.121 -5.361 1.00 0.00 O ATOM 866 CB CYS A 62 25.017 -5.516 -3.308 1.00 0.00 C ATOM 867 SG CYS A 62 24.930 -3.786 -3.846 1.00 0.00 S ATOM 0 H CYS A 62 24.607 -7.893 -2.390 1.00 0.00 H new ATOM 0 HA CYS A 62 23.006 -6.013 -4.030 1.00 0.00 H new ATOM 0 HB2 CYS A 62 24.940 -5.533 -2.221 1.00 0.00 H new ATOM 0 HB3 CYS A 62 26.006 -5.897 -3.563 1.00 0.00 H new ATOM 872 N LYS A 63 24.368 -6.117 -6.163 1.00 0.00 N ATOM 873 CA LYS A 63 24.805 -6.452 -7.541 1.00 0.00 C ATOM 874 C LYS A 63 24.222 -7.789 -8.011 1.00 0.00 C ATOM 875 O LYS A 63 24.931 -8.766 -8.150 1.00 0.00 O ATOM 876 CB LYS A 63 26.336 -6.547 -7.540 1.00 0.00 C ATOM 877 CG LYS A 63 26.912 -5.142 -7.716 1.00 0.00 C ATOM 878 CD LYS A 63 28.438 -5.211 -7.673 1.00 0.00 C ATOM 879 CE LYS A 63 29.011 -3.920 -8.265 1.00 0.00 C ATOM 880 NZ LYS A 63 28.028 -2.806 -8.136 1.00 0.00 N ATOM 0 H LYS A 63 24.008 -5.170 -6.044 1.00 0.00 H new ATOM 0 HA LYS A 63 24.452 -5.677 -8.222 1.00 0.00 H new ATOM 0 HB2 LYS A 63 26.687 -6.986 -6.606 1.00 0.00 H new ATOM 0 HB3 LYS A 63 26.675 -7.199 -8.345 1.00 0.00 H new ATOM 0 HG2 LYS A 63 26.583 -4.718 -8.665 1.00 0.00 H new ATOM 0 HG3 LYS A 63 26.544 -4.485 -6.928 1.00 0.00 H new ATOM 0 HD2 LYS A 63 28.781 -5.339 -6.646 1.00 0.00 H new ATOM 0 HD3 LYS A 63 28.792 -6.074 -8.237 1.00 0.00 H new ATOM 0 HE2 LYS A 63 29.937 -3.657 -7.753 1.00 0.00 H new ATOM 0 HE3 LYS A 63 29.260 -4.073 -9.315 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 28.508 -1.898 -8.301 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 27.270 -2.929 -8.837 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 27.619 -2.813 -7.180 1.00 0.00 H new ATOM 894 N PRO A 64 22.924 -7.803 -8.249 1.00 0.00 N ATOM 895 CA PRO A 64 22.240 -9.014 -8.703 1.00 0.00 C ATOM 896 C PRO A 64 22.624 -9.353 -10.142 1.00 0.00 C ATOM 897 O PRO A 64 23.122 -8.517 -10.867 1.00 0.00 O ATOM 898 CB PRO A 64 20.739 -8.666 -8.644 1.00 0.00 C ATOM 899 CG PRO A 64 20.626 -7.159 -8.268 1.00 0.00 C ATOM 900 CD PRO A 64 22.055 -6.628 -8.066 1.00 0.00 C ATOM 0 HA PRO A 64 22.504 -9.875 -8.089 1.00 0.00 H new ATOM 0 HB2 PRO A 64 20.262 -8.859 -9.605 1.00 0.00 H new ATOM 0 HB3 PRO A 64 20.230 -9.285 -7.905 1.00 0.00 H new ATOM 0 HG2 PRO A 64 20.118 -6.604 -9.056 1.00 0.00 H new ATOM 0 HG3 PRO A 64 20.038 -7.033 -7.359 1.00 0.00 H new ATOM 0 HD2 PRO A 64 22.291 -5.845 -8.787 1.00 0.00 H new ATOM 0 HD3 PRO A 64 22.179 -6.195 -7.073 1.00 0.00 H new ATOM 908 N SER A 65 22.385 -10.575 -10.527 1.00 0.00 N ATOM 909 CA SER A 65 22.729 -10.981 -11.911 1.00 0.00 C ATOM 910 C SER A 65 22.062 -12.297 -12.265 1.00 0.00 C ATOM 911 O SER A 65 21.779 -12.569 -13.415 1.00 0.00 O ATOM 912 CB SER A 65 24.254 -11.152 -12.007 1.00 0.00 C ATOM 913 OG SER A 65 24.598 -10.527 -13.236 1.00 0.00 O ATOM 0 H SER A 65 21.969 -11.303 -9.946 1.00 0.00 H new ATOM 0 HA SER A 65 22.381 -10.215 -12.604 1.00 0.00 H new ATOM 0 HB2 SER A 65 24.761 -10.681 -11.165 1.00 0.00 H new ATOM 0 HB3 SER A 65 24.538 -12.204 -12.002 1.00 0.00 H new ATOM 0 HG SER A 65 25.566 -10.590 -13.376 1.00 0.00 H new ATOM 919 N GLU A 66 21.824 -13.085 -11.263 1.00 0.00 N ATOM 920 CA GLU A 66 21.173 -14.402 -11.490 1.00 0.00 C ATOM 921 C GLU A 66 19.689 -14.337 -11.148 1.00 0.00 C ATOM 922 O GLU A 66 19.002 -15.340 -11.158 1.00 0.00 O ATOM 923 CB GLU A 66 21.847 -15.436 -10.578 1.00 0.00 C ATOM 924 CG GLU A 66 23.219 -15.789 -11.155 1.00 0.00 C ATOM 925 CD GLU A 66 24.000 -16.616 -10.133 1.00 0.00 C ATOM 926 OE1 GLU A 66 23.711 -17.798 -10.059 1.00 0.00 O ATOM 927 OE2 GLU A 66 24.841 -16.018 -9.484 1.00 0.00 O ATOM 0 H GLU A 66 22.052 -12.876 -10.291 1.00 0.00 H new ATOM 0 HA GLU A 66 21.277 -14.677 -12.539 1.00 0.00 H new ATOM 0 HB2 GLU A 66 21.954 -15.036 -9.570 1.00 0.00 H new ATOM 0 HB3 GLU A 66 21.229 -16.331 -10.502 1.00 0.00 H new ATOM 0 HG2 GLU A 66 23.103 -16.351 -12.082 1.00 0.00 H new ATOM 0 HG3 GLU A 66 23.768 -14.880 -11.400 1.00 0.00 H new ATOM 934 N ASP A 67 19.221 -13.157 -10.848 1.00 0.00 N ATOM 935 CA ASP A 67 17.785 -13.008 -10.501 1.00 0.00 C ATOM 936 C ASP A 67 16.931 -12.840 -11.753 1.00 0.00 C ATOM 937 O ASP A 67 15.845 -13.377 -11.843 1.00 0.00 O ATOM 938 CB ASP A 67 17.628 -11.755 -9.629 1.00 0.00 C ATOM 939 CG ASP A 67 16.684 -12.062 -8.466 1.00 0.00 C ATOM 940 OD1 ASP A 67 17.198 -12.515 -7.456 1.00 0.00 O ATOM 941 OD2 ASP A 67 15.502 -11.826 -8.651 1.00 0.00 O ATOM 0 H ASP A 67 19.768 -12.297 -10.829 1.00 0.00 H new ATOM 0 HA ASP A 67 17.455 -13.903 -9.974 1.00 0.00 H new ATOM 0 HB2 ASP A 67 18.600 -11.438 -9.250 1.00 0.00 H new ATOM 0 HB3 ASP A 67 17.234 -10.931 -10.224 1.00 0.00 H new ATOM 946 N ASP A 68 17.437 -12.096 -12.697 1.00 0.00 N ATOM 947 CA ASP A 68 16.666 -11.885 -13.946 1.00 0.00 C ATOM 948 C ASP A 68 16.745 -13.108 -14.855 1.00 0.00 C ATOM 949 O ASP A 68 17.758 -13.358 -15.480 1.00 0.00 O ATOM 950 CB ASP A 68 17.265 -10.680 -14.685 1.00 0.00 C ATOM 951 CG ASP A 68 16.859 -9.392 -13.966 1.00 0.00 C ATOM 952 OD1 ASP A 68 17.002 -9.379 -12.754 1.00 0.00 O ATOM 953 OD2 ASP A 68 16.429 -8.492 -14.670 1.00 0.00 O ATOM 0 H ASP A 68 18.343 -11.630 -12.656 1.00 0.00 H new ATOM 0 HA ASP A 68 15.620 -11.712 -13.691 1.00 0.00 H new ATOM 0 HB2 ASP A 68 18.351 -10.764 -14.720 1.00 0.00 H new ATOM 0 HB3 ASP A 68 16.914 -10.660 -15.717 1.00 0.00 H new ATOM 958 N LYS A 69 15.669 -13.848 -14.913 1.00 0.00 N ATOM 959 CA LYS A 69 15.656 -15.060 -15.773 1.00 0.00 C ATOM 960 C LYS A 69 14.227 -15.431 -16.158 1.00 0.00 C ATOM 961 O LYS A 69 13.299 -15.191 -15.411 1.00 0.00 O ATOM 962 CB LYS A 69 16.272 -16.223 -14.985 1.00 0.00 C ATOM 963 CG LYS A 69 15.890 -16.088 -13.511 1.00 0.00 C ATOM 964 CD LYS A 69 16.183 -17.409 -12.797 1.00 0.00 C ATOM 965 CE LYS A 69 16.036 -17.208 -11.288 1.00 0.00 C ATOM 966 NZ LYS A 69 16.331 -18.477 -10.566 1.00 0.00 N ATOM 0 H LYS A 69 14.805 -13.664 -14.404 1.00 0.00 H new ATOM 0 HA LYS A 69 16.225 -14.859 -16.681 1.00 0.00 H new ATOM 0 HB2 LYS A 69 15.916 -17.175 -15.380 1.00 0.00 H new ATOM 0 HB3 LYS A 69 17.357 -16.218 -15.094 1.00 0.00 H new ATOM 0 HG2 LYS A 69 16.453 -15.277 -13.049 1.00 0.00 H new ATOM 0 HG3 LYS A 69 14.834 -15.836 -13.417 1.00 0.00 H new ATOM 0 HD2 LYS A 69 15.497 -18.182 -13.142 1.00 0.00 H new ATOM 0 HD3 LYS A 69 17.191 -17.749 -13.034 1.00 0.00 H new ATOM 0 HE2 LYS A 69 16.714 -16.424 -10.951 1.00 0.00 H new ATOM 0 HE3 LYS A 69 15.024 -16.876 -11.055 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 16.227 -18.326 -9.542 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 15.667 -19.215 -10.876 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 17.305 -18.777 -10.775 1.00 0.00 H new ATOM 980 N GLU A 70 14.076 -16.016 -17.315 1.00 0.00 N ATOM 981 CA GLU A 70 12.715 -16.411 -17.763 1.00 0.00 C ATOM 982 C GLU A 70 12.187 -17.582 -16.941 1.00 0.00 C ATOM 983 O GLU A 70 12.816 -18.619 -16.860 1.00 0.00 O ATOM 984 CB GLU A 70 12.796 -16.843 -19.236 1.00 0.00 C ATOM 985 CG GLU A 70 13.599 -15.805 -20.023 1.00 0.00 C ATOM 986 CD GLU A 70 13.052 -15.719 -21.450 1.00 0.00 C ATOM 987 OE1 GLU A 70 11.936 -15.240 -21.576 1.00 0.00 O ATOM 988 OE2 GLU A 70 13.780 -16.139 -22.336 1.00 0.00 O ATOM 0 H GLU A 70 14.832 -16.235 -17.964 1.00 0.00 H new ATOM 0 HA GLU A 70 12.042 -15.563 -17.635 1.00 0.00 H new ATOM 0 HB2 GLU A 70 13.269 -17.822 -19.315 1.00 0.00 H new ATOM 0 HB3 GLU A 70 11.794 -16.939 -19.655 1.00 0.00 H new ATOM 0 HG2 GLU A 70 13.533 -14.832 -19.537 1.00 0.00 H new ATOM 0 HG3 GLU A 70 14.653 -16.081 -20.041 1.00 0.00 H new ATOM 995 N ASN A 71 11.040 -17.397 -16.344 1.00 0.00 N ATOM 996 CA ASN A 71 10.463 -18.491 -15.525 1.00 0.00 C ATOM 997 C ASN A 71 9.600 -19.409 -16.385 1.00 0.00 C ATOM 998 O ASN A 71 10.134 -19.885 -17.373 1.00 0.00 O ATOM 999 CB ASN A 71 9.585 -17.870 -14.429 1.00 0.00 C ATOM 1000 CG ASN A 71 9.185 -18.956 -13.429 1.00 0.00 C ATOM 1001 OD1 ASN A 71 8.050 -19.386 -13.385 1.00 0.00 O ATOM 1002 ND2 ASN A 71 10.086 -19.427 -12.612 1.00 0.00 N ATOM 1003 OXT ASN A 71 8.454 -19.583 -16.006 1.00 0.00 O ATOM 0 H ASN A 71 10.485 -16.542 -16.390 1.00 0.00 H new ATOM 0 HA ASN A 71 11.273 -19.076 -15.090 1.00 0.00 H new ATOM 0 HB2 ASN A 71 10.127 -17.073 -13.921 1.00 0.00 H new ATOM 0 HB3 ASN A 71 8.696 -17.420 -14.870 1.00 0.00 H new ATOM 0 HD21 ASN A 71 9.836 -20.153 -11.940 1.00 0.00 H new ATOM 0 HD22 ASN A 71 11.041 -19.069 -12.645 1.00 0.00 H new TER 1010 ASN A 71