USER MOD reduce.3.24.130724 H: found=0, std=0, add=441, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 439 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 NoAdj-H: A 42 HIS HD1 : A 42 HIS ND1 : A 200 ZNZN :(H bumps) USER MOD NoAdj-H: A 48 HIS HE2 : A 48 HIS NE2 : A 400 ZNZN :(H bumps) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 1:sc= 0.608 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= -0.128 USER MOD Single : A 9 SER OG : rot 180:sc= -0.0607 USER MOD Single : A 15 ASN : amide:sc= -0.0479 K(o=-0.048,f=-1.7) USER MOD Single : A 16 ASN :FLIP amide:sc= -0.93 F(o=-3!,f=-0.93) USER MOD Single : A 20 SER OG : rot -150:sc= -0.208 USER MOD Single : A 22 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 23 LYS NZ :NH3+ 147:sc= 1.15 (180deg=-0.667) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 MET CE :methyl -163:sc= -0.011 (180deg=-0.235) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 SER OG : rot 104:sc= 1.42 USER MOD Single : A 37 THR OG1 : rot 170:sc= 0.00774 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -23.078 -1.423 -20.373 1.00 0.00 N ATOM 2 CA GLY A 1 -22.609 -2.110 -19.185 1.00 0.00 C ATOM 3 C GLY A 1 -21.624 -1.280 -18.385 1.00 0.00 C ATOM 4 O GLY A 1 -21.945 -0.176 -17.948 1.00 0.00 O ATOM 0 H1 GLY A 1 -23.748 -2.032 -20.884 1.00 0.00 H new ATOM 0 H2 GLY A 1 -23.553 -0.540 -20.098 1.00 0.00 H new ATOM 0 H3 GLY A 1 -22.269 -1.204 -20.989 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -23.462 -2.363 -18.555 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -22.137 -3.049 -19.475 1.00 0.00 H new ATOM 8 N SER A 2 -20.422 -1.814 -18.193 1.00 0.00 N ATOM 9 CA SER A 2 -19.389 -1.118 -17.436 1.00 0.00 C ATOM 10 C SER A 2 -19.972 -0.485 -16.176 1.00 0.00 C ATOM 11 O SER A 2 -19.642 0.649 -15.828 1.00 0.00 O ATOM 12 CB SER A 2 -18.730 -0.043 -18.302 1.00 0.00 C ATOM 13 OG SER A 2 -19.644 0.995 -18.611 1.00 0.00 O ATOM 0 H SER A 2 -20.140 -2.726 -18.551 1.00 0.00 H new ATOM 0 HA SER A 2 -18.636 -1.848 -17.140 1.00 0.00 H new ATOM 0 HB2 SER A 2 -17.868 0.371 -17.779 1.00 0.00 H new ATOM 0 HB3 SER A 2 -18.359 -0.491 -19.224 1.00 0.00 H new ATOM 0 HG SER A 2 -20.507 0.808 -18.186 1.00 0.00 H new ATOM 19 N SER A 3 -20.840 -1.227 -15.496 1.00 0.00 N ATOM 20 CA SER A 3 -21.473 -0.738 -14.277 1.00 0.00 C ATOM 21 C SER A 3 -21.182 -1.669 -13.103 1.00 0.00 C ATOM 22 O SER A 3 -20.568 -1.267 -12.116 1.00 0.00 O ATOM 23 CB SER A 3 -22.984 -0.610 -14.477 1.00 0.00 C ATOM 24 OG SER A 3 -23.569 0.178 -13.455 1.00 0.00 O ATOM 0 H SER A 3 -21.121 -2.169 -15.769 1.00 0.00 H new ATOM 0 HA SER A 3 -21.059 0.245 -14.052 1.00 0.00 H new ATOM 0 HB2 SER A 3 -23.189 -0.161 -15.449 1.00 0.00 H new ATOM 0 HB3 SER A 3 -23.439 -1.601 -14.482 1.00 0.00 H new ATOM 0 HG SER A 3 -24.535 0.246 -13.607 1.00 0.00 H new ATOM 30 N GLY A 4 -21.627 -2.916 -13.220 1.00 0.00 N ATOM 31 CA GLY A 4 -21.406 -3.885 -12.163 1.00 0.00 C ATOM 32 C GLY A 4 -22.002 -3.447 -10.840 1.00 0.00 C ATOM 33 O GLY A 4 -22.372 -2.285 -10.673 1.00 0.00 O ATOM 0 H GLY A 4 -22.137 -3.273 -14.028 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -21.840 -4.841 -12.455 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -20.335 -4.046 -12.040 1.00 0.00 H new ATOM 37 N SER A 5 -22.098 -4.379 -9.898 1.00 0.00 N ATOM 38 CA SER A 5 -22.659 -4.084 -8.585 1.00 0.00 C ATOM 39 C SER A 5 -22.314 -5.185 -7.587 1.00 0.00 C ATOM 40 O SER A 5 -22.460 -6.372 -7.880 1.00 0.00 O ATOM 41 CB SER A 5 -24.177 -3.923 -8.680 1.00 0.00 C ATOM 42 OG SER A 5 -24.727 -3.529 -7.435 1.00 0.00 O ATOM 0 H SER A 5 -21.794 -5.345 -10.019 1.00 0.00 H new ATOM 0 HA SER A 5 -22.223 -3.149 -8.233 1.00 0.00 H new ATOM 0 HB2 SER A 5 -24.420 -3.180 -9.440 1.00 0.00 H new ATOM 0 HB3 SER A 5 -24.626 -4.864 -8.998 1.00 0.00 H new ATOM 0 HG SER A 5 -25.698 -3.431 -7.523 1.00 0.00 H new ATOM 48 N SER A 6 -21.856 -4.783 -6.406 1.00 0.00 N ATOM 49 CA SER A 6 -21.487 -5.735 -5.364 1.00 0.00 C ATOM 50 C SER A 6 -21.611 -5.102 -3.982 1.00 0.00 C ATOM 51 O SER A 6 -21.675 -3.881 -3.849 1.00 0.00 O ATOM 52 CB SER A 6 -20.057 -6.234 -5.584 1.00 0.00 C ATOM 53 OG SER A 6 -19.687 -7.173 -4.589 1.00 0.00 O ATOM 0 H SER A 6 -21.731 -3.804 -6.146 1.00 0.00 H new ATOM 0 HA SER A 6 -22.172 -6.581 -5.419 1.00 0.00 H new ATOM 0 HB2 SER A 6 -19.976 -6.692 -6.570 1.00 0.00 H new ATOM 0 HB3 SER A 6 -19.367 -5.390 -5.567 1.00 0.00 H new ATOM 0 HG SER A 6 -18.770 -7.478 -4.752 1.00 0.00 H new ATOM 59 N GLY A 7 -21.643 -5.945 -2.953 1.00 0.00 N ATOM 60 CA GLY A 7 -21.759 -5.451 -1.593 1.00 0.00 C ATOM 61 C GLY A 7 -20.419 -5.368 -0.890 1.00 0.00 C ATOM 62 O GLY A 7 -19.862 -6.374 -0.450 1.00 0.00 O ATOM 0 H GLY A 7 -21.591 -6.960 -3.037 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -22.220 -4.464 -1.607 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -22.423 -6.105 -1.027 1.00 0.00 H new ATOM 66 N PRO A 8 -19.879 -4.145 -0.779 1.00 0.00 N ATOM 67 CA PRO A 8 -18.588 -3.906 -0.126 1.00 0.00 C ATOM 68 C PRO A 8 -18.652 -4.122 1.382 1.00 0.00 C ATOM 69 O PRO A 8 -18.961 -3.201 2.138 1.00 0.00 O ATOM 70 CB PRO A 8 -18.297 -2.437 -0.444 1.00 0.00 C ATOM 71 CG PRO A 8 -19.637 -1.825 -0.667 1.00 0.00 C ATOM 72 CD PRO A 8 -20.487 -2.902 -1.281 1.00 0.00 C ATOM 0 HA PRO A 8 -17.819 -4.594 -0.479 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -17.771 -1.951 0.378 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -17.666 -2.341 -1.327 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -20.067 -1.476 0.271 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -19.566 -0.960 -1.327 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -21.530 -2.813 -0.976 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -20.468 -2.857 -2.370 1.00 0.00 H new ATOM 80 N SER A 9 -18.358 -5.345 1.813 1.00 0.00 N ATOM 81 CA SER A 9 -18.386 -5.682 3.231 1.00 0.00 C ATOM 82 C SER A 9 -17.421 -4.801 4.018 1.00 0.00 C ATOM 83 O SER A 9 -17.782 -4.232 5.049 1.00 0.00 O ATOM 84 CB SER A 9 -18.029 -7.156 3.433 1.00 0.00 C ATOM 85 OG SER A 9 -16.737 -7.442 2.925 1.00 0.00 O ATOM 0 H SER A 9 -18.098 -6.118 1.201 1.00 0.00 H new ATOM 0 HA SER A 9 -19.396 -5.506 3.601 1.00 0.00 H new ATOM 0 HB2 SER A 9 -18.068 -7.401 4.494 1.00 0.00 H new ATOM 0 HB3 SER A 9 -18.767 -7.784 2.934 1.00 0.00 H new ATOM 0 HG SER A 9 -16.532 -8.390 3.068 1.00 0.00 H new ATOM 91 N ARG A 10 -16.192 -4.693 3.525 1.00 0.00 N ATOM 92 CA ARG A 10 -15.173 -3.882 4.182 1.00 0.00 C ATOM 93 C ARG A 10 -15.553 -2.404 4.153 1.00 0.00 C ATOM 94 O ARG A 10 -16.282 -1.942 3.275 1.00 0.00 O ATOM 95 CB ARG A 10 -13.816 -4.085 3.506 1.00 0.00 C ATOM 96 CG ARG A 10 -13.218 -5.462 3.741 1.00 0.00 C ATOM 97 CD ARG A 10 -11.977 -5.684 2.890 1.00 0.00 C ATOM 98 NE ARG A 10 -12.314 -6.033 1.512 1.00 0.00 N ATOM 99 CZ ARG A 10 -12.482 -5.136 0.547 1.00 0.00 C ATOM 100 NH1 ARG A 10 -12.345 -3.844 0.807 1.00 0.00 N ATOM 101 NH2 ARG A 10 -12.787 -5.533 -0.682 1.00 0.00 N ATOM 0 H ARG A 10 -15.877 -5.157 2.673 1.00 0.00 H new ATOM 0 HA ARG A 10 -15.104 -4.201 5.222 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -13.926 -3.924 2.434 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -13.121 -3.329 3.872 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -12.962 -5.574 4.795 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -13.960 -6.226 3.510 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -11.367 -4.781 2.896 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -11.374 -6.479 3.328 1.00 0.00 H new ATOM 0 HE ARG A 10 -12.426 -7.019 1.278 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -12.110 -3.536 1.750 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -12.475 -3.158 0.064 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -12.892 -6.527 -0.885 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -12.916 -4.844 -1.423 1.00 0.00 H new ATOM 115 N PRO A 11 -15.047 -1.644 5.135 1.00 0.00 N ATOM 116 CA PRO A 11 -15.319 -0.208 5.245 1.00 0.00 C ATOM 117 C PRO A 11 -14.641 0.596 4.140 1.00 0.00 C ATOM 118 O PRO A 11 -14.157 0.035 3.157 1.00 0.00 O ATOM 119 CB PRO A 11 -14.735 0.161 6.610 1.00 0.00 C ATOM 120 CG PRO A 11 -13.680 -0.861 6.860 1.00 0.00 C ATOM 121 CD PRO A 11 -14.171 -2.128 6.215 1.00 0.00 C ATOM 0 HA PRO A 11 -16.382 0.014 5.147 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -14.317 1.168 6.603 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -15.499 0.139 7.387 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -12.726 -0.550 6.434 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -13.520 -1.004 7.929 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -13.347 -2.726 5.826 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -14.714 -2.755 6.922 1.00 0.00 H new ATOM 129 N VAL A 12 -14.609 1.914 4.309 1.00 0.00 N ATOM 130 CA VAL A 12 -13.989 2.796 3.327 1.00 0.00 C ATOM 131 C VAL A 12 -12.469 2.762 3.441 1.00 0.00 C ATOM 132 O VAL A 12 -11.817 3.804 3.502 1.00 0.00 O ATOM 133 CB VAL A 12 -14.473 4.249 3.493 1.00 0.00 C ATOM 134 CG1 VAL A 12 -15.986 4.326 3.365 1.00 0.00 C ATOM 135 CG2 VAL A 12 -14.012 4.814 4.828 1.00 0.00 C ATOM 0 H VAL A 12 -15.005 2.395 5.117 1.00 0.00 H new ATOM 0 HA VAL A 12 -14.285 2.433 2.343 1.00 0.00 H new ATOM 0 HB VAL A 12 -14.035 4.853 2.698 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -16.309 5.360 3.485 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -16.287 3.964 2.382 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -16.448 3.710 4.136 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -14.363 5.841 4.929 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -14.420 4.210 5.639 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -12.923 4.796 4.874 1.00 0.00 H new ATOM 145 N ARG A 13 -11.910 1.556 3.469 1.00 0.00 N ATOM 146 CA ARG A 13 -10.466 1.386 3.576 1.00 0.00 C ATOM 147 C ARG A 13 -9.908 0.690 2.338 1.00 0.00 C ATOM 148 O ARG A 13 -9.376 -0.419 2.405 1.00 0.00 O ATOM 149 CB ARG A 13 -10.118 0.579 4.828 1.00 0.00 C ATOM 150 CG ARG A 13 -10.668 1.180 6.112 1.00 0.00 C ATOM 151 CD ARG A 13 -9.855 2.386 6.555 1.00 0.00 C ATOM 152 NE ARG A 13 -10.419 3.019 7.744 1.00 0.00 N ATOM 153 CZ ARG A 13 -9.703 3.732 8.606 1.00 0.00 C ATOM 154 NH1 ARG A 13 -8.403 3.903 8.412 1.00 0.00 N ATOM 155 NH2 ARG A 13 -10.289 4.277 9.666 1.00 0.00 N ATOM 0 H ARG A 13 -12.435 0.683 3.419 1.00 0.00 H new ATOM 0 HA ARG A 13 -10.013 2.375 3.652 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -10.504 -0.434 4.716 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -9.034 0.499 4.909 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -11.706 1.475 5.961 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -10.662 0.426 6.900 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -8.830 2.077 6.760 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -9.812 3.112 5.743 1.00 0.00 H new ATOM 0 HE ARG A 13 -11.417 2.908 7.922 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -7.950 3.486 7.599 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -7.856 4.451 9.076 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -11.289 4.148 9.818 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -9.739 4.824 10.328 1.00 0.00 H new ATOM 169 N PRO A 14 -10.030 1.355 1.179 1.00 0.00 N ATOM 170 CA PRO A 14 -9.544 0.819 -0.096 1.00 0.00 C ATOM 171 C PRO A 14 -8.021 0.782 -0.165 1.00 0.00 C ATOM 172 O PRO A 14 -7.446 0.445 -1.199 1.00 0.00 O ATOM 173 CB PRO A 14 -10.102 1.801 -1.129 1.00 0.00 C ATOM 174 CG PRO A 14 -10.287 3.075 -0.379 1.00 0.00 C ATOM 175 CD PRO A 14 -10.652 2.680 1.025 1.00 0.00 C ATOM 0 HA PRO A 14 -9.861 -0.212 -0.253 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -9.414 1.930 -1.965 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -11.045 1.445 -1.544 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -9.375 3.671 -0.392 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -11.072 3.683 -0.830 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -10.267 3.392 1.756 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -11.732 2.635 1.162 1.00 0.00 H new ATOM 183 N ASN A 15 -7.374 1.129 0.942 1.00 0.00 N ATOM 184 CA ASN A 15 -5.917 1.135 1.006 1.00 0.00 C ATOM 185 C ASN A 15 -5.381 -0.254 1.342 1.00 0.00 C ATOM 186 O ASN A 15 -4.304 -0.392 1.920 1.00 0.00 O ATOM 187 CB ASN A 15 -5.435 2.145 2.049 1.00 0.00 C ATOM 188 CG ASN A 15 -5.810 3.570 1.689 1.00 0.00 C ATOM 189 OD1 ASN A 15 -6.470 3.814 0.680 1.00 0.00 O ATOM 190 ND2 ASN A 15 -5.387 4.520 2.516 1.00 0.00 N ATOM 0 H ASN A 15 -7.835 1.410 1.807 1.00 0.00 H new ATOM 0 HA ASN A 15 -5.537 1.425 0.026 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -5.863 1.894 3.019 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -4.352 2.071 2.149 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -5.607 5.497 2.325 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -4.842 4.272 3.342 1.00 0.00 H new ATOM 197 N ASN A 16 -6.142 -1.280 0.976 1.00 0.00 N ATOM 198 CA ASN A 16 -5.745 -2.659 1.238 1.00 0.00 C ATOM 199 C ASN A 16 -5.071 -3.273 0.015 1.00 0.00 C ATOM 200 O ASN A 16 -5.707 -3.977 -0.769 1.00 0.00 O ATOM 201 CB ASN A 16 -6.962 -3.495 1.637 1.00 0.00 C ATOM 202 CG ASN A 16 -8.225 -3.058 0.920 1.00 0.00 C ATOM 203 OD1 ASN A 16 -9.262 -2.743 1.686 1.00 0.00 O flip ATOM 204 ND2 ASN A 16 -8.266 -3.004 -0.310 1.00 0.00 N flip ATOM 0 H ASN A 16 -7.037 -1.183 0.497 1.00 0.00 H new ATOM 0 HA ASN A 16 -5.030 -2.655 2.061 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -6.767 -4.544 1.416 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -7.114 -3.419 2.714 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -7.444 -3.256 -0.859 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -9.122 -2.708 -0.779 1.00 0.00 H new ATOM 211 N ARG A 17 -3.779 -3.001 -0.140 1.00 0.00 N ATOM 212 CA ARG A 17 -3.018 -3.526 -1.268 1.00 0.00 C ATOM 213 C ARG A 17 -1.522 -3.312 -1.061 1.00 0.00 C ATOM 214 O ARG A 17 -1.107 -2.400 -0.344 1.00 0.00 O ATOM 215 CB ARG A 17 -3.465 -2.855 -2.568 1.00 0.00 C ATOM 216 CG ARG A 17 -4.675 -3.514 -3.209 1.00 0.00 C ATOM 217 CD ARG A 17 -4.777 -3.174 -4.688 1.00 0.00 C ATOM 218 NE ARG A 17 -6.148 -3.277 -5.180 1.00 0.00 N ATOM 219 CZ ARG A 17 -6.695 -4.413 -5.599 1.00 0.00 C ATOM 220 NH1 ARG A 17 -5.990 -5.536 -5.586 1.00 0.00 N ATOM 221 NH2 ARG A 17 -7.949 -4.427 -6.033 1.00 0.00 N ATOM 0 H ARG A 17 -3.238 -2.421 0.501 1.00 0.00 H new ATOM 0 HA ARG A 17 -3.208 -4.597 -1.336 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -3.696 -1.809 -2.366 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -2.637 -2.868 -3.277 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -4.609 -4.595 -3.087 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -5.581 -3.190 -2.697 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -4.408 -2.162 -4.854 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -4.135 -3.845 -5.259 1.00 0.00 H new ATOM 0 HE ARG A 17 -6.717 -2.431 -5.203 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -5.026 -5.529 -5.254 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -6.412 -6.407 -5.908 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -8.494 -3.565 -6.045 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -8.368 -5.300 -6.354 1.00 0.00 H new ATOM 235 N CYS A 18 -0.715 -4.159 -1.692 1.00 0.00 N ATOM 236 CA CYS A 18 0.735 -4.064 -1.577 1.00 0.00 C ATOM 237 C CYS A 18 1.299 -3.083 -2.600 1.00 0.00 C ATOM 238 O CYS A 18 0.906 -3.091 -3.767 1.00 0.00 O ATOM 239 CB CYS A 18 1.373 -5.442 -1.769 1.00 0.00 C ATOM 240 SG CYS A 18 3.165 -5.483 -1.441 1.00 0.00 S ATOM 0 H CYS A 18 -1.041 -4.919 -2.289 1.00 0.00 H new ATOM 0 HA CYS A 18 0.973 -3.696 -0.579 1.00 0.00 H new ATOM 0 HB2 CYS A 18 0.877 -6.155 -1.110 1.00 0.00 H new ATOM 0 HB3 CYS A 18 1.194 -5.774 -2.791 1.00 0.00 H new ATOM 245 N PHE A 19 2.223 -2.239 -2.155 1.00 0.00 N ATOM 246 CA PHE A 19 2.842 -1.250 -3.031 1.00 0.00 C ATOM 247 C PHE A 19 3.995 -1.866 -3.817 1.00 0.00 C ATOM 248 O PHE A 19 4.905 -1.164 -4.258 1.00 0.00 O ATOM 249 CB PHE A 19 3.345 -0.058 -2.214 1.00 0.00 C ATOM 250 CG PHE A 19 3.778 1.106 -3.058 1.00 0.00 C ATOM 251 CD1 PHE A 19 2.841 1.949 -3.633 1.00 0.00 C ATOM 252 CD2 PHE A 19 5.123 1.359 -3.276 1.00 0.00 C ATOM 253 CE1 PHE A 19 3.237 3.021 -4.411 1.00 0.00 C ATOM 254 CE2 PHE A 19 5.525 2.429 -4.053 1.00 0.00 C ATOM 255 CZ PHE A 19 4.581 3.262 -4.620 1.00 0.00 C ATOM 0 H PHE A 19 2.560 -2.219 -1.193 1.00 0.00 H new ATOM 0 HA PHE A 19 2.088 -0.904 -3.738 1.00 0.00 H new ATOM 0 HB2 PHE A 19 2.555 0.268 -1.537 1.00 0.00 H new ATOM 0 HB3 PHE A 19 4.183 -0.379 -1.595 1.00 0.00 H new ATOM 0 HD1 PHE A 19 1.789 1.767 -3.472 1.00 0.00 H new ATOM 0 HD2 PHE A 19 5.866 0.712 -2.833 1.00 0.00 H new ATOM 0 HE1 PHE A 19 2.496 3.669 -4.855 1.00 0.00 H new ATOM 0 HE2 PHE A 19 6.577 2.613 -4.217 1.00 0.00 H new ATOM 0 HZ PHE A 19 4.893 4.100 -5.226 1.00 0.00 H new ATOM 265 N SER A 20 3.951 -3.184 -3.987 1.00 0.00 N ATOM 266 CA SER A 20 4.994 -3.896 -4.716 1.00 0.00 C ATOM 267 C SER A 20 4.386 -4.897 -5.695 1.00 0.00 C ATOM 268 O SER A 20 4.828 -5.011 -6.838 1.00 0.00 O ATOM 269 CB SER A 20 5.923 -4.620 -3.740 1.00 0.00 C ATOM 270 OG SER A 20 7.014 -3.796 -3.369 1.00 0.00 O ATOM 0 H SER A 20 3.204 -3.780 -3.630 1.00 0.00 H new ATOM 0 HA SER A 20 5.571 -3.165 -5.282 1.00 0.00 H new ATOM 0 HB2 SER A 20 5.365 -4.912 -2.851 1.00 0.00 H new ATOM 0 HB3 SER A 20 6.295 -5.536 -4.198 1.00 0.00 H new ATOM 0 HG SER A 20 7.794 -4.355 -3.171 1.00 0.00 H new ATOM 276 N CYS A 21 3.369 -5.619 -5.237 1.00 0.00 N ATOM 277 CA CYS A 21 2.699 -6.611 -6.069 1.00 0.00 C ATOM 278 C CYS A 21 1.212 -6.296 -6.201 1.00 0.00 C ATOM 279 O CYS A 21 0.485 -6.976 -6.923 1.00 0.00 O ATOM 280 CB CYS A 21 2.885 -8.011 -5.480 1.00 0.00 C ATOM 281 SG CYS A 21 2.570 -8.111 -3.689 1.00 0.00 S ATOM 0 H CYS A 21 2.991 -5.536 -4.293 1.00 0.00 H new ATOM 0 HA CYS A 21 3.148 -6.579 -7.062 1.00 0.00 H new ATOM 0 HB2 CYS A 21 2.217 -8.702 -5.995 1.00 0.00 H new ATOM 0 HB3 CYS A 21 3.904 -8.345 -5.678 1.00 0.00 H new ATOM 286 N ASN A 22 0.768 -5.259 -5.498 1.00 0.00 N ATOM 287 CA ASN A 22 -0.632 -4.853 -5.536 1.00 0.00 C ATOM 288 C ASN A 22 -1.529 -5.940 -4.952 1.00 0.00 C ATOM 289 O ASN A 22 -2.713 -6.027 -5.282 1.00 0.00 O ATOM 290 CB ASN A 22 -1.056 -4.543 -6.973 1.00 0.00 C ATOM 291 CG ASN A 22 -0.867 -3.081 -7.329 1.00 0.00 C ATOM 292 OD1 ASN A 22 0.240 -2.548 -7.245 1.00 0.00 O ATOM 293 ND2 ASN A 22 -1.950 -2.425 -7.730 1.00 0.00 N ATOM 0 H ASN A 22 1.357 -4.685 -4.895 1.00 0.00 H new ATOM 0 HA ASN A 22 -0.740 -3.953 -4.931 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -0.477 -5.159 -7.661 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -2.103 -4.814 -7.106 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -1.884 -1.439 -7.983 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -2.847 -2.907 -7.785 1.00 0.00 H new ATOM 300 N LYS A 23 -0.959 -6.767 -4.083 1.00 0.00 N ATOM 301 CA LYS A 23 -1.706 -7.847 -3.450 1.00 0.00 C ATOM 302 C LYS A 23 -2.540 -7.323 -2.285 1.00 0.00 C ATOM 303 O LYS A 23 -2.007 -6.997 -1.224 1.00 0.00 O ATOM 304 CB LYS A 23 -0.750 -8.936 -2.958 1.00 0.00 C ATOM 305 CG LYS A 23 -1.259 -9.687 -1.740 1.00 0.00 C ATOM 306 CD LYS A 23 -0.662 -11.082 -1.655 1.00 0.00 C ATOM 307 CE LYS A 23 0.653 -11.079 -0.891 1.00 0.00 C ATOM 308 NZ LYS A 23 1.818 -10.865 -1.794 1.00 0.00 N ATOM 0 H LYS A 23 0.019 -6.710 -3.801 1.00 0.00 H new ATOM 0 HA LYS A 23 -2.380 -8.273 -4.193 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -0.575 -9.647 -3.766 1.00 0.00 H new ATOM 0 HB3 LYS A 23 0.212 -8.482 -2.719 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -1.011 -9.129 -0.837 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -2.346 -9.757 -1.783 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -1.368 -11.752 -1.164 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -0.499 -11.471 -2.660 1.00 0.00 H new ATOM 0 HE2 LYS A 23 0.631 -10.295 -0.134 1.00 0.00 H new ATOM 0 HE3 LYS A 23 0.770 -12.027 -0.365 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 2.555 -10.333 -1.289 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 2.199 -11.785 -2.094 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 1.515 -10.327 -2.631 1.00 0.00 H new ATOM 322 N LYS A 24 -3.850 -7.246 -2.490 1.00 0.00 N ATOM 323 CA LYS A 24 -4.759 -6.764 -1.456 1.00 0.00 C ATOM 324 C LYS A 24 -4.315 -7.239 -0.077 1.00 0.00 C ATOM 325 O LYS A 24 -4.289 -8.439 0.199 1.00 0.00 O ATOM 326 CB LYS A 24 -6.185 -7.243 -1.738 1.00 0.00 C ATOM 327 CG LYS A 24 -6.360 -8.746 -1.600 1.00 0.00 C ATOM 328 CD LYS A 24 -7.658 -9.216 -2.233 1.00 0.00 C ATOM 329 CE LYS A 24 -7.984 -10.648 -1.838 1.00 0.00 C ATOM 330 NZ LYS A 24 -9.353 -11.045 -2.271 1.00 0.00 N ATOM 0 H LYS A 24 -4.307 -7.511 -3.363 1.00 0.00 H new ATOM 0 HA LYS A 24 -4.739 -5.674 -1.469 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -6.870 -6.742 -1.054 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -6.467 -6.944 -2.748 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -5.519 -9.256 -2.070 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -6.349 -9.019 -0.545 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -8.472 -8.559 -1.927 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -7.582 -9.145 -3.318 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -7.253 -11.323 -2.283 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -7.900 -10.755 -0.756 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -9.537 -12.027 -1.983 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -10.053 -10.417 -1.827 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -9.426 -10.968 -3.306 1.00 0.00 H new ATOM 344 N VAL A 25 -3.968 -6.291 0.788 1.00 0.00 N ATOM 345 CA VAL A 25 -3.528 -6.614 2.140 1.00 0.00 C ATOM 346 C VAL A 25 -4.629 -6.336 3.158 1.00 0.00 C ATOM 347 O VAL A 25 -4.357 -6.111 4.336 1.00 0.00 O ATOM 348 CB VAL A 25 -2.271 -5.811 2.527 1.00 0.00 C ATOM 349 CG1 VAL A 25 -1.081 -6.243 1.686 1.00 0.00 C ATOM 350 CG2 VAL A 25 -2.526 -4.319 2.379 1.00 0.00 C ATOM 0 H VAL A 25 -3.983 -5.293 0.576 1.00 0.00 H new ATOM 0 HA VAL A 25 -3.289 -7.677 2.150 1.00 0.00 H new ATOM 0 HB VAL A 25 -2.039 -6.015 3.572 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -0.203 -5.665 1.974 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -0.887 -7.303 1.848 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -1.299 -6.071 0.632 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -1.628 -3.767 2.656 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -2.784 -4.095 1.344 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -3.349 -4.024 3.030 1.00 0.00 H new ATOM 360 N GLY A 26 -5.874 -6.353 2.693 1.00 0.00 N ATOM 361 CA GLY A 26 -6.999 -6.102 3.576 1.00 0.00 C ATOM 362 C GLY A 26 -6.659 -5.126 4.684 1.00 0.00 C ATOM 363 O GLY A 26 -5.972 -4.130 4.456 1.00 0.00 O ATOM 0 H GLY A 26 -6.124 -6.536 1.721 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -7.833 -5.710 2.994 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -7.330 -7.043 4.014 1.00 0.00 H new ATOM 367 N VAL A 27 -7.141 -5.411 5.890 1.00 0.00 N ATOM 368 CA VAL A 27 -6.885 -4.550 7.039 1.00 0.00 C ATOM 369 C VAL A 27 -5.775 -5.119 7.915 1.00 0.00 C ATOM 370 O VAL A 27 -5.744 -4.888 9.124 1.00 0.00 O ATOM 371 CB VAL A 27 -8.153 -4.361 7.892 1.00 0.00 C ATOM 372 CG1 VAL A 27 -9.268 -3.744 7.063 1.00 0.00 C ATOM 373 CG2 VAL A 27 -8.594 -5.688 8.491 1.00 0.00 C ATOM 0 H VAL A 27 -7.711 -6.231 6.097 1.00 0.00 H new ATOM 0 HA VAL A 27 -6.573 -3.582 6.647 1.00 0.00 H new ATOM 0 HB VAL A 27 -7.921 -3.678 8.710 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -10.156 -3.618 7.683 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -8.947 -2.772 6.687 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -9.502 -4.398 6.223 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -9.491 -5.536 9.091 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -8.808 -6.395 7.690 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -7.799 -6.085 9.122 1.00 0.00 H new ATOM 383 N MET A 28 -4.865 -5.865 7.298 1.00 0.00 N ATOM 384 CA MET A 28 -3.751 -6.467 8.022 1.00 0.00 C ATOM 385 C MET A 28 -2.441 -6.269 7.267 1.00 0.00 C ATOM 386 O MET A 28 -1.556 -7.123 7.305 1.00 0.00 O ATOM 387 CB MET A 28 -4.005 -7.959 8.243 1.00 0.00 C ATOM 388 CG MET A 28 -5.199 -8.246 9.140 1.00 0.00 C ATOM 389 SD MET A 28 -4.804 -8.090 10.893 1.00 0.00 S ATOM 390 CE MET A 28 -3.848 -9.581 11.158 1.00 0.00 C ATOM 0 H MET A 28 -4.877 -6.067 6.298 1.00 0.00 H new ATOM 0 HA MET A 28 -3.670 -5.972 8.990 1.00 0.00 H new ATOM 0 HB2 MET A 28 -4.163 -8.439 7.277 1.00 0.00 H new ATOM 0 HB3 MET A 28 -3.115 -8.410 8.682 1.00 0.00 H new ATOM 0 HG2 MET A 28 -6.009 -7.560 8.891 1.00 0.00 H new ATOM 0 HG3 MET A 28 -5.563 -9.254 8.942 1.00 0.00 H new ATOM 0 HE1 MET A 28 -3.787 -9.789 12.226 1.00 0.00 H new ATOM 0 HE2 MET A 28 -4.331 -10.417 10.652 1.00 0.00 H new ATOM 0 HE3 MET A 28 -2.844 -9.445 10.757 1.00 0.00 H new ATOM 400 N GLY A 29 -2.323 -5.135 6.581 1.00 0.00 N ATOM 401 CA GLY A 29 -1.118 -4.847 5.826 1.00 0.00 C ATOM 402 C GLY A 29 -0.089 -4.092 6.644 1.00 0.00 C ATOM 403 O GLY A 29 -0.367 -3.666 7.766 1.00 0.00 O ATOM 0 H GLY A 29 -3.041 -4.412 6.535 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -0.682 -5.781 5.472 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -1.377 -4.262 4.944 1.00 0.00 H new ATOM 407 N PHE A 30 1.105 -3.927 6.084 1.00 0.00 N ATOM 408 CA PHE A 30 2.180 -3.220 6.770 1.00 0.00 C ATOM 409 C PHE A 30 2.377 -1.826 6.182 1.00 0.00 C ATOM 410 O PHE A 30 2.859 -1.674 5.060 1.00 0.00 O ATOM 411 CB PHE A 30 3.484 -4.015 6.673 1.00 0.00 C ATOM 412 CG PHE A 30 3.611 -5.088 7.717 1.00 0.00 C ATOM 413 CD1 PHE A 30 3.036 -6.333 7.523 1.00 0.00 C ATOM 414 CD2 PHE A 30 4.305 -4.850 8.892 1.00 0.00 C ATOM 415 CE1 PHE A 30 3.152 -7.323 8.481 1.00 0.00 C ATOM 416 CE2 PHE A 30 4.425 -5.836 9.853 1.00 0.00 C ATOM 417 CZ PHE A 30 3.846 -7.073 9.648 1.00 0.00 C ATOM 0 H PHE A 30 1.352 -4.273 5.157 1.00 0.00 H new ATOM 0 HA PHE A 30 1.902 -3.117 7.819 1.00 0.00 H new ATOM 0 HB2 PHE A 30 3.550 -4.471 5.685 1.00 0.00 H new ATOM 0 HB3 PHE A 30 4.326 -3.329 6.764 1.00 0.00 H new ATOM 0 HD1 PHE A 30 2.491 -6.533 6.613 1.00 0.00 H new ATOM 0 HD2 PHE A 30 4.757 -3.884 9.059 1.00 0.00 H new ATOM 0 HE1 PHE A 30 2.701 -8.290 8.317 1.00 0.00 H new ATOM 0 HE2 PHE A 30 4.971 -5.639 10.764 1.00 0.00 H new ATOM 0 HZ PHE A 30 3.936 -7.844 10.399 1.00 0.00 H new ATOM 427 N LYS A 31 2.000 -0.809 6.950 1.00 0.00 N ATOM 428 CA LYS A 31 2.134 0.574 6.508 1.00 0.00 C ATOM 429 C LYS A 31 3.495 1.140 6.898 1.00 0.00 C ATOM 430 O LYS A 31 3.866 1.140 8.073 1.00 0.00 O ATOM 431 CB LYS A 31 1.020 1.434 7.110 1.00 0.00 C ATOM 432 CG LYS A 31 1.217 2.924 6.892 1.00 0.00 C ATOM 433 CD LYS A 31 -0.086 3.689 7.056 1.00 0.00 C ATOM 434 CE LYS A 31 0.160 5.117 7.515 1.00 0.00 C ATOM 435 NZ LYS A 31 -0.998 6.004 7.213 1.00 0.00 N ATOM 0 H LYS A 31 1.599 -0.917 7.882 1.00 0.00 H new ATOM 0 HA LYS A 31 2.051 0.592 5.421 1.00 0.00 H new ATOM 0 HB2 LYS A 31 0.066 1.135 6.675 1.00 0.00 H new ATOM 0 HB3 LYS A 31 0.958 1.237 8.180 1.00 0.00 H new ATOM 0 HG2 LYS A 31 1.954 3.302 7.601 1.00 0.00 H new ATOM 0 HG3 LYS A 31 1.618 3.097 5.893 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -0.625 3.698 6.109 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -0.721 3.177 7.779 1.00 0.00 H new ATOM 0 HE2 LYS A 31 0.354 5.125 8.588 1.00 0.00 H new ATOM 0 HE3 LYS A 31 1.053 5.507 7.027 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -0.791 6.969 7.541 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -1.168 6.016 6.187 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -1.845 5.647 7.700 1.00 0.00 H new ATOM 449 N CYS A 32 4.236 1.625 5.907 1.00 0.00 N ATOM 450 CA CYS A 32 5.556 2.195 6.147 1.00 0.00 C ATOM 451 C CYS A 32 5.450 3.667 6.535 1.00 0.00 C ATOM 452 O CYS A 32 4.432 4.314 6.289 1.00 0.00 O ATOM 453 CB CYS A 32 6.432 2.047 4.901 1.00 0.00 C ATOM 454 SG CYS A 32 8.049 2.878 5.026 1.00 0.00 S ATOM 0 H CYS A 32 3.944 1.634 4.930 1.00 0.00 H new ATOM 0 HA CYS A 32 6.015 1.651 6.973 1.00 0.00 H new ATOM 0 HB2 CYS A 32 6.594 0.987 4.708 1.00 0.00 H new ATOM 0 HB3 CYS A 32 5.894 2.449 4.042 1.00 0.00 H new ATOM 459 N LYS A 33 6.509 4.190 7.144 1.00 0.00 N ATOM 460 CA LYS A 33 6.538 5.585 7.566 1.00 0.00 C ATOM 461 C LYS A 33 6.271 6.516 6.388 1.00 0.00 C ATOM 462 O LYS A 33 5.761 7.624 6.561 1.00 0.00 O ATOM 463 CB LYS A 33 7.891 5.921 8.198 1.00 0.00 C ATOM 464 CG LYS A 33 8.161 5.171 9.491 1.00 0.00 C ATOM 465 CD LYS A 33 9.172 5.901 10.359 1.00 0.00 C ATOM 466 CE LYS A 33 9.203 5.339 11.772 1.00 0.00 C ATOM 467 NZ LYS A 33 9.980 6.209 12.698 1.00 0.00 N ATOM 0 H LYS A 33 7.359 3.668 7.356 1.00 0.00 H new ATOM 0 HA LYS A 33 5.752 5.730 8.307 1.00 0.00 H new ATOM 0 HB2 LYS A 33 8.683 5.694 7.484 1.00 0.00 H new ATOM 0 HB3 LYS A 33 7.935 6.992 8.393 1.00 0.00 H new ATOM 0 HG2 LYS A 33 7.229 5.047 10.042 1.00 0.00 H new ATOM 0 HG3 LYS A 33 8.531 4.172 9.262 1.00 0.00 H new ATOM 0 HD2 LYS A 33 10.163 5.819 9.912 1.00 0.00 H new ATOM 0 HD3 LYS A 33 8.924 6.962 10.394 1.00 0.00 H new ATOM 0 HE2 LYS A 33 8.184 5.233 12.143 1.00 0.00 H new ATOM 0 HE3 LYS A 33 9.642 4.341 11.757 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 9.977 5.792 13.651 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 10.960 6.290 12.358 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 9.546 7.154 12.733 1.00 0.00 H new ATOM 481 N CYS A 34 6.617 6.059 5.189 1.00 0.00 N ATOM 482 CA CYS A 34 6.414 6.850 3.981 1.00 0.00 C ATOM 483 C CYS A 34 4.926 7.046 3.703 1.00 0.00 C ATOM 484 O CYS A 34 4.512 8.083 3.188 1.00 0.00 O ATOM 485 CB CYS A 34 7.082 6.171 2.784 1.00 0.00 C ATOM 486 SG CYS A 34 6.402 4.529 2.385 1.00 0.00 S ATOM 0 H CYS A 34 7.039 5.145 5.028 1.00 0.00 H new ATOM 0 HA CYS A 34 6.869 7.828 4.136 1.00 0.00 H new ATOM 0 HB2 CYS A 34 6.981 6.816 1.911 1.00 0.00 H new ATOM 0 HB3 CYS A 34 8.149 6.072 2.985 1.00 0.00 H new ATOM 491 N GLY A 35 4.127 6.041 4.049 1.00 0.00 N ATOM 492 CA GLY A 35 2.695 6.122 3.829 1.00 0.00 C ATOM 493 C GLY A 35 2.212 5.139 2.782 1.00 0.00 C ATOM 494 O GLY A 35 1.169 5.345 2.161 1.00 0.00 O ATOM 0 H GLY A 35 4.446 5.172 4.478 1.00 0.00 H new ATOM 0 HA2 GLY A 35 2.175 5.932 4.768 1.00 0.00 H new ATOM 0 HA3 GLY A 35 2.435 7.134 3.520 1.00 0.00 H new ATOM 498 N SER A 36 2.973 4.067 2.583 1.00 0.00 N ATOM 499 CA SER A 36 2.619 3.051 1.599 1.00 0.00 C ATOM 500 C SER A 36 2.197 1.755 2.285 1.00 0.00 C ATOM 501 O SER A 36 2.642 1.450 3.392 1.00 0.00 O ATOM 502 CB SER A 36 3.800 2.785 0.663 1.00 0.00 C ATOM 503 OG SER A 36 4.329 3.996 0.153 1.00 0.00 O ATOM 0 H SER A 36 3.838 3.880 3.090 1.00 0.00 H new ATOM 0 HA SER A 36 1.778 3.423 1.014 1.00 0.00 H new ATOM 0 HB2 SER A 36 4.578 2.242 1.199 1.00 0.00 H new ATOM 0 HB3 SER A 36 3.478 2.149 -0.162 1.00 0.00 H new ATOM 0 HG SER A 36 5.164 4.211 0.620 1.00 0.00 H new ATOM 509 N THR A 37 1.335 0.993 1.618 1.00 0.00 N ATOM 510 CA THR A 37 0.851 -0.269 2.161 1.00 0.00 C ATOM 511 C THR A 37 1.535 -1.455 1.490 1.00 0.00 C ATOM 512 O THR A 37 1.717 -1.471 0.273 1.00 0.00 O ATOM 513 CB THR A 37 -0.674 -0.406 1.991 1.00 0.00 C ATOM 514 OG1 THR A 37 -1.322 0.808 2.386 1.00 0.00 O ATOM 515 CG2 THR A 37 -1.209 -1.565 2.819 1.00 0.00 C ATOM 0 H THR A 37 0.958 1.229 0.700 1.00 0.00 H new ATOM 0 HA THR A 37 1.092 -0.269 3.224 1.00 0.00 H new ATOM 0 HB THR A 37 -0.884 -0.604 0.940 1.00 0.00 H new ATOM 0 HG1 THR A 37 -2.266 0.774 2.126 1.00 0.00 H new ATOM 0 HG21 THR A 37 -2.288 -1.642 2.683 1.00 0.00 H new ATOM 0 HG22 THR A 37 -0.735 -2.492 2.496 1.00 0.00 H new ATOM 0 HG23 THR A 37 -0.988 -1.392 3.872 1.00 0.00 H new ATOM 523 N PHE A 38 1.910 -2.447 2.291 1.00 0.00 N ATOM 524 CA PHE A 38 2.574 -3.637 1.774 1.00 0.00 C ATOM 525 C PHE A 38 1.967 -4.902 2.374 1.00 0.00 C ATOM 526 O PHE A 38 1.249 -4.847 3.373 1.00 0.00 O ATOM 527 CB PHE A 38 4.073 -3.584 2.078 1.00 0.00 C ATOM 528 CG PHE A 38 4.716 -2.282 1.693 1.00 0.00 C ATOM 529 CD1 PHE A 38 5.173 -2.075 0.402 1.00 0.00 C ATOM 530 CD2 PHE A 38 4.865 -1.266 2.623 1.00 0.00 C ATOM 531 CE1 PHE A 38 5.766 -0.879 0.045 1.00 0.00 C ATOM 532 CE2 PHE A 38 5.457 -0.067 2.273 1.00 0.00 C ATOM 533 CZ PHE A 38 5.907 0.127 0.982 1.00 0.00 C ATOM 0 H PHE A 38 1.765 -2.450 3.301 1.00 0.00 H new ATOM 0 HA PHE A 38 2.430 -3.662 0.694 1.00 0.00 H new ATOM 0 HB2 PHE A 38 4.226 -3.755 3.144 1.00 0.00 H new ATOM 0 HB3 PHE A 38 4.572 -4.397 1.550 1.00 0.00 H new ATOM 0 HD1 PHE A 38 5.065 -2.858 -0.334 1.00 0.00 H new ATOM 0 HD2 PHE A 38 4.514 -1.413 3.634 1.00 0.00 H new ATOM 0 HE1 PHE A 38 6.119 -0.731 -0.965 1.00 0.00 H new ATOM 0 HE2 PHE A 38 5.567 0.717 3.008 1.00 0.00 H new ATOM 0 HZ PHE A 38 6.368 1.063 0.705 1.00 0.00 H new ATOM 543 N CYS A 39 2.260 -6.042 1.756 1.00 0.00 N ATOM 544 CA CYS A 39 1.743 -7.322 2.226 1.00 0.00 C ATOM 545 C CYS A 39 2.763 -8.026 3.115 1.00 0.00 C ATOM 546 O CYS A 39 2.873 -9.252 3.102 1.00 0.00 O ATOM 547 CB CYS A 39 1.381 -8.216 1.039 1.00 0.00 C ATOM 548 SG CYS A 39 2.818 -8.810 0.090 1.00 0.00 S ATOM 0 H CYS A 39 2.853 -6.105 0.928 1.00 0.00 H new ATOM 0 HA CYS A 39 0.846 -7.130 2.814 1.00 0.00 H new ATOM 0 HB2 CYS A 39 0.819 -9.076 1.404 1.00 0.00 H new ATOM 0 HB3 CYS A 39 0.720 -7.664 0.370 1.00 0.00 H new ATOM 553 N GLY A 40 3.508 -7.242 3.889 1.00 0.00 N ATOM 554 CA GLY A 40 4.509 -7.808 4.774 1.00 0.00 C ATOM 555 C GLY A 40 5.784 -8.181 4.044 1.00 0.00 C ATOM 556 O GLY A 40 6.881 -7.831 4.479 1.00 0.00 O ATOM 0 H GLY A 40 3.436 -6.225 3.919 1.00 0.00 H new ATOM 0 HA2 GLY A 40 4.741 -7.090 5.561 1.00 0.00 H new ATOM 0 HA3 GLY A 40 4.100 -8.694 5.261 1.00 0.00 H new ATOM 560 N SER A 41 5.641 -8.894 2.932 1.00 0.00 N ATOM 561 CA SER A 41 6.791 -9.320 2.143 1.00 0.00 C ATOM 562 C SER A 41 7.477 -8.122 1.493 1.00 0.00 C ATOM 563 O SER A 41 8.665 -8.201 1.186 1.00 0.00 O ATOM 564 CB SER A 41 6.357 -10.319 1.068 1.00 0.00 C ATOM 565 OG SER A 41 5.738 -11.454 1.648 1.00 0.00 O ATOM 0 H SER A 41 4.740 -9.189 2.557 1.00 0.00 H new ATOM 0 HA SER A 41 7.501 -9.804 2.813 1.00 0.00 H new ATOM 0 HB2 SER A 41 5.666 -9.837 0.377 1.00 0.00 H new ATOM 0 HB3 SER A 41 7.224 -10.631 0.486 1.00 0.00 H new ATOM 0 HG SER A 41 5.468 -12.077 0.941 1.00 0.00 H new ATOM 571 N HIS A 42 6.722 -7.050 1.301 1.00 0.00 N ATOM 572 CA HIS A 42 7.267 -5.850 0.690 1.00 0.00 C ATOM 573 C HIS A 42 7.149 -4.678 1.666 1.00 0.00 C ATOM 574 O HIS A 42 7.153 -3.508 1.284 1.00 0.00 O ATOM 575 CB HIS A 42 6.594 -5.572 -0.656 1.00 0.00 C ATOM 576 CG HIS A 42 6.583 -6.755 -1.594 1.00 0.00 C ATOM 577 ND1 HIS A 42 5.469 -7.116 -2.331 1.00 0.00 N ATOM 578 CD2 HIS A 42 7.560 -7.654 -1.907 1.00 0.00 C ATOM 579 CE1 HIS A 42 5.773 -8.186 -3.051 1.00 0.00 C ATOM 580 NE2 HIS A 42 7.069 -8.518 -2.786 1.00 0.00 N ATOM 0 H HIS A 42 5.737 -6.988 1.558 1.00 0.00 H new ATOM 0 HA HIS A 42 8.326 -5.995 0.477 1.00 0.00 H new ATOM 0 HB2 HIS A 42 5.567 -5.253 -0.478 1.00 0.00 H new ATOM 0 HB3 HIS A 42 7.106 -4.741 -1.142 1.00 0.00 H new ATOM 0 HD2 HIS A 42 8.563 -7.661 -1.507 1.00 0.00 H new ATOM 0 HE1 HIS A 42 5.111 -8.704 -3.729 1.00 0.00 H new ATOM 0 HE2 HIS A 42 7.577 -9.302 -3.196 1.00 0.00 H new ATOM 588 N ARG A 43 7.043 -5.022 2.945 1.00 0.00 N ATOM 589 CA ARG A 43 6.921 -4.020 3.998 1.00 0.00 C ATOM 590 C ARG A 43 8.232 -3.261 4.181 1.00 0.00 C ATOM 591 O ARG A 43 8.253 -2.163 4.737 1.00 0.00 O ATOM 592 CB ARG A 43 6.513 -4.681 5.316 1.00 0.00 C ATOM 593 CG ARG A 43 7.629 -5.482 5.966 1.00 0.00 C ATOM 594 CD ARG A 43 7.099 -6.382 7.071 1.00 0.00 C ATOM 595 NE ARG A 43 8.122 -6.688 8.067 1.00 0.00 N ATOM 596 CZ ARG A 43 8.095 -7.767 8.841 1.00 0.00 C ATOM 597 NH1 ARG A 43 7.102 -8.639 8.734 1.00 0.00 N ATOM 598 NH2 ARG A 43 9.063 -7.976 9.724 1.00 0.00 N ATOM 0 H ARG A 43 7.039 -5.986 3.278 1.00 0.00 H new ATOM 0 HA ARG A 43 6.149 -3.310 3.702 1.00 0.00 H new ATOM 0 HB2 ARG A 43 6.178 -3.911 6.011 1.00 0.00 H new ATOM 0 HB3 ARG A 43 5.663 -5.339 5.135 1.00 0.00 H new ATOM 0 HG2 ARG A 43 8.131 -6.088 5.211 1.00 0.00 H new ATOM 0 HG3 ARG A 43 8.375 -4.802 6.376 1.00 0.00 H new ATOM 0 HD2 ARG A 43 6.253 -5.898 7.558 1.00 0.00 H new ATOM 0 HD3 ARG A 43 6.728 -7.310 6.636 1.00 0.00 H new ATOM 0 HE ARG A 43 8.900 -6.037 8.174 1.00 0.00 H new ATOM 0 HH11 ARG A 43 6.356 -8.482 8.056 1.00 0.00 H new ATOM 0 HH12 ARG A 43 7.084 -9.467 9.330 1.00 0.00 H new ATOM 0 HH21 ARG A 43 9.829 -7.308 9.809 1.00 0.00 H new ATOM 0 HH22 ARG A 43 9.041 -8.805 10.318 1.00 0.00 H new ATOM 612 N TYR A 44 9.323 -3.854 3.709 1.00 0.00 N ATOM 613 CA TYR A 44 10.639 -3.236 3.823 1.00 0.00 C ATOM 614 C TYR A 44 10.785 -2.081 2.838 1.00 0.00 C ATOM 615 O TYR A 44 10.154 -2.048 1.782 1.00 0.00 O ATOM 616 CB TYR A 44 11.736 -4.274 3.577 1.00 0.00 C ATOM 617 CG TYR A 44 11.558 -5.545 4.377 1.00 0.00 C ATOM 618 CD1 TYR A 44 10.793 -6.596 3.886 1.00 0.00 C ATOM 619 CD2 TYR A 44 12.153 -5.694 5.623 1.00 0.00 C ATOM 620 CE1 TYR A 44 10.627 -7.759 4.613 1.00 0.00 C ATOM 621 CE2 TYR A 44 11.994 -6.854 6.356 1.00 0.00 C ATOM 622 CZ TYR A 44 11.230 -7.883 5.847 1.00 0.00 C ATOM 623 OH TYR A 44 11.067 -9.040 6.575 1.00 0.00 O ATOM 0 H TYR A 44 9.322 -4.762 3.244 1.00 0.00 H new ATOM 0 HA TYR A 44 10.742 -2.842 4.834 1.00 0.00 H new ATOM 0 HB2 TYR A 44 11.758 -4.523 2.516 1.00 0.00 H new ATOM 0 HB3 TYR A 44 12.703 -3.833 3.821 1.00 0.00 H new ATOM 0 HD1 TYR A 44 10.320 -6.502 2.920 1.00 0.00 H new ATOM 0 HD2 TYR A 44 12.750 -4.889 6.026 1.00 0.00 H new ATOM 0 HE1 TYR A 44 10.029 -8.566 4.217 1.00 0.00 H new ATOM 0 HE2 TYR A 44 12.465 -6.954 7.322 1.00 0.00 H new ATOM 0 HH TYR A 44 11.557 -8.966 7.420 1.00 0.00 H new ATOM 633 N PRO A 45 11.640 -1.109 3.191 1.00 0.00 N ATOM 634 CA PRO A 45 11.891 0.066 2.351 1.00 0.00 C ATOM 635 C PRO A 45 12.659 -0.282 1.081 1.00 0.00 C ATOM 636 O PRO A 45 12.314 0.175 -0.008 1.00 0.00 O ATOM 637 CB PRO A 45 12.734 0.972 3.253 1.00 0.00 C ATOM 638 CG PRO A 45 13.398 0.043 4.210 1.00 0.00 C ATOM 639 CD PRO A 45 12.426 -1.083 4.435 1.00 0.00 C ATOM 0 HA PRO A 45 10.965 0.526 2.006 1.00 0.00 H new ATOM 0 HB2 PRO A 45 13.467 1.535 2.675 1.00 0.00 H new ATOM 0 HB3 PRO A 45 12.113 1.700 3.775 1.00 0.00 H new ATOM 0 HG2 PRO A 45 14.339 -0.329 3.804 1.00 0.00 H new ATOM 0 HG3 PRO A 45 13.633 0.549 5.146 1.00 0.00 H new ATOM 0 HD2 PRO A 45 12.940 -2.029 4.606 1.00 0.00 H new ATOM 0 HD3 PRO A 45 11.795 -0.901 5.305 1.00 0.00 H new ATOM 647 N GLU A 46 13.701 -1.094 1.228 1.00 0.00 N ATOM 648 CA GLU A 46 14.517 -1.503 0.091 1.00 0.00 C ATOM 649 C GLU A 46 13.672 -2.230 -0.952 1.00 0.00 C ATOM 650 O GLU A 46 14.020 -2.270 -2.132 1.00 0.00 O ATOM 651 CB GLU A 46 15.662 -2.406 0.554 1.00 0.00 C ATOM 652 CG GLU A 46 15.217 -3.809 0.931 1.00 0.00 C ATOM 653 CD GLU A 46 16.188 -4.496 1.871 1.00 0.00 C ATOM 654 OE1 GLU A 46 17.341 -4.742 1.459 1.00 0.00 O ATOM 655 OE2 GLU A 46 15.794 -4.788 3.020 1.00 0.00 O ATOM 0 H GLU A 46 14.000 -1.481 2.123 1.00 0.00 H new ATOM 0 HA GLU A 46 14.934 -0.605 -0.365 1.00 0.00 H new ATOM 0 HB2 GLU A 46 16.406 -2.471 -0.240 1.00 0.00 H new ATOM 0 HB3 GLU A 46 16.152 -1.946 1.413 1.00 0.00 H new ATOM 0 HG2 GLU A 46 14.235 -3.761 1.401 1.00 0.00 H new ATOM 0 HG3 GLU A 46 15.108 -4.407 0.026 1.00 0.00 H new ATOM 662 N LYS A 47 12.559 -2.804 -0.507 1.00 0.00 N ATOM 663 CA LYS A 47 11.663 -3.530 -1.399 1.00 0.00 C ATOM 664 C LYS A 47 10.898 -2.568 -2.302 1.00 0.00 C ATOM 665 O LYS A 47 10.654 -2.896 -3.462 1.00 0.00 O ATOM 666 CB LYS A 47 10.679 -4.377 -0.589 1.00 0.00 C ATOM 667 CG LYS A 47 11.317 -5.588 0.069 1.00 0.00 C ATOM 668 CD LYS A 47 11.455 -6.745 -0.907 1.00 0.00 C ATOM 669 CE LYS A 47 12.205 -7.913 -0.285 1.00 0.00 C ATOM 670 NZ LYS A 47 13.678 -7.698 -0.302 1.00 0.00 N ATOM 0 H LYS A 47 12.256 -2.780 0.467 1.00 0.00 H new ATOM 0 HA LYS A 47 12.268 -4.186 -2.025 1.00 0.00 H new ATOM 0 HB2 LYS A 47 10.224 -3.754 0.181 1.00 0.00 H new ATOM 0 HB3 LYS A 47 9.875 -4.712 -1.245 1.00 0.00 H new ATOM 0 HG2 LYS A 47 12.300 -5.318 0.456 1.00 0.00 H new ATOM 0 HG3 LYS A 47 10.714 -5.900 0.922 1.00 0.00 H new ATOM 0 HD2 LYS A 47 10.466 -7.074 -1.225 1.00 0.00 H new ATOM 0 HD3 LYS A 47 11.981 -6.408 -1.800 1.00 0.00 H new ATOM 0 HE2 LYS A 47 11.870 -8.054 0.743 1.00 0.00 H new ATOM 0 HE3 LYS A 47 11.965 -8.828 -0.826 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 14.153 -8.516 0.130 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 14.002 -7.589 -1.284 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 13.910 -6.839 0.236 1.00 0.00 H new ATOM 684 N HIS A 48 10.541 -1.413 -1.758 1.00 0.00 N ATOM 685 CA HIS A 48 9.809 -0.419 -2.525 1.00 0.00 C ATOM 686 C HIS A 48 10.645 0.857 -2.639 1.00 0.00 C ATOM 687 O HIS A 48 10.128 1.974 -2.673 1.00 0.00 O ATOM 688 CB HIS A 48 8.428 -0.171 -1.916 1.00 0.00 C ATOM 689 CG HIS A 48 8.464 0.511 -0.569 1.00 0.00 C ATOM 690 ND1 HIS A 48 8.544 -0.187 0.623 1.00 0.00 N ATOM 691 CD2 HIS A 48 8.432 1.834 -0.239 1.00 0.00 C ATOM 692 CE1 HIS A 48 8.557 0.686 1.619 1.00 0.00 C ATOM 693 NE2 HIS A 48 8.487 1.938 1.083 1.00 0.00 N ATOM 0 H HIS A 48 10.745 -1.144 -0.796 1.00 0.00 H new ATOM 0 HA HIS A 48 9.634 -0.790 -3.535 1.00 0.00 H new ATOM 0 HB2 HIS A 48 7.843 0.438 -2.605 1.00 0.00 H new ATOM 0 HB3 HIS A 48 7.910 -1.125 -1.815 1.00 0.00 H new ATOM 0 HD1 HIS A 48 8.586 -1.202 0.718 1.00 0.00 H new ATOM 0 HD2 HIS A 48 8.372 2.657 -0.935 1.00 0.00 H new ATOM 0 HE1 HIS A 48 8.613 0.448 2.671 1.00 0.00 H new ATOM 701 N GLU A 49 11.959 0.665 -2.699 1.00 0.00 N ATOM 702 CA GLU A 49 12.889 1.783 -2.808 1.00 0.00 C ATOM 703 C GLU A 49 12.365 3.003 -2.057 1.00 0.00 C ATOM 704 O GLU A 49 12.347 4.114 -2.589 1.00 0.00 O ATOM 705 CB GLU A 49 13.124 2.137 -4.278 1.00 0.00 C ATOM 706 CG GLU A 49 14.078 1.191 -4.988 1.00 0.00 C ATOM 707 CD GLU A 49 14.471 1.684 -6.367 1.00 0.00 C ATOM 708 OE1 GLU A 49 13.655 2.384 -7.002 1.00 0.00 O ATOM 709 OE2 GLU A 49 15.595 1.370 -6.810 1.00 0.00 O ATOM 0 H GLU A 49 12.403 -0.253 -2.674 1.00 0.00 H new ATOM 0 HA GLU A 49 13.835 1.481 -2.358 1.00 0.00 H new ATOM 0 HB2 GLU A 49 12.168 2.135 -4.801 1.00 0.00 H new ATOM 0 HB3 GLU A 49 13.519 3.151 -4.340 1.00 0.00 H new ATOM 0 HG2 GLU A 49 14.975 1.064 -4.382 1.00 0.00 H new ATOM 0 HG3 GLU A 49 13.612 0.210 -5.076 1.00 0.00 H new ATOM 716 N CYS A 50 11.939 2.789 -0.817 1.00 0.00 N ATOM 717 CA CYS A 50 11.413 3.869 0.009 1.00 0.00 C ATOM 718 C CYS A 50 12.364 5.063 0.014 1.00 0.00 C ATOM 719 O CYS A 50 13.583 4.898 -0.013 1.00 0.00 O ATOM 720 CB CYS A 50 11.184 3.380 1.441 1.00 0.00 C ATOM 721 SG CYS A 50 10.181 4.507 2.461 1.00 0.00 S ATOM 0 H CYS A 50 11.948 1.876 -0.362 1.00 0.00 H new ATOM 0 HA CYS A 50 10.461 4.186 -0.416 1.00 0.00 H new ATOM 0 HB2 CYS A 50 10.695 2.406 1.407 1.00 0.00 H new ATOM 0 HB3 CYS A 50 12.151 3.235 1.923 1.00 0.00 H new ATOM 726 N SER A 51 11.796 6.264 0.048 1.00 0.00 N ATOM 727 CA SER A 51 12.592 7.486 0.052 1.00 0.00 C ATOM 728 C SER A 51 12.873 7.946 1.479 1.00 0.00 C ATOM 729 O SER A 51 13.953 8.456 1.778 1.00 0.00 O ATOM 730 CB SER A 51 11.871 8.592 -0.720 1.00 0.00 C ATOM 731 OG SER A 51 10.558 8.788 -0.224 1.00 0.00 O ATOM 0 H SER A 51 10.788 6.417 0.073 1.00 0.00 H new ATOM 0 HA SER A 51 13.543 7.273 -0.436 1.00 0.00 H new ATOM 0 HB2 SER A 51 12.435 9.521 -0.642 1.00 0.00 H new ATOM 0 HB3 SER A 51 11.829 8.333 -1.778 1.00 0.00 H new ATOM 0 HG SER A 51 10.119 9.501 -0.733 1.00 0.00 H new ATOM 737 N PHE A 52 11.892 7.762 2.358 1.00 0.00 N ATOM 738 CA PHE A 52 12.032 8.158 3.754 1.00 0.00 C ATOM 739 C PHE A 52 13.450 7.898 4.254 1.00 0.00 C ATOM 740 O PHE A 52 13.831 6.755 4.508 1.00 0.00 O ATOM 741 CB PHE A 52 11.026 7.403 4.624 1.00 0.00 C ATOM 742 CG PHE A 52 10.868 7.984 6.000 1.00 0.00 C ATOM 743 CD1 PHE A 52 11.945 8.042 6.870 1.00 0.00 C ATOM 744 CD2 PHE A 52 9.643 8.473 6.423 1.00 0.00 C ATOM 745 CE1 PHE A 52 11.802 8.575 8.137 1.00 0.00 C ATOM 746 CE2 PHE A 52 9.493 9.008 7.689 1.00 0.00 C ATOM 747 CZ PHE A 52 10.575 9.060 8.546 1.00 0.00 C ATOM 0 H PHE A 52 10.992 7.341 2.127 1.00 0.00 H new ATOM 0 HA PHE A 52 11.832 9.227 3.824 1.00 0.00 H new ATOM 0 HB2 PHE A 52 10.057 7.401 4.126 1.00 0.00 H new ATOM 0 HB3 PHE A 52 11.342 6.363 4.711 1.00 0.00 H new ATOM 0 HD1 PHE A 52 12.907 7.666 6.554 1.00 0.00 H new ATOM 0 HD2 PHE A 52 8.795 8.436 5.756 1.00 0.00 H new ATOM 0 HE1 PHE A 52 12.649 8.612 8.807 1.00 0.00 H new ATOM 0 HE2 PHE A 52 8.532 9.384 8.007 1.00 0.00 H new ATOM 0 HZ PHE A 52 10.462 9.479 9.535 1.00 0.00 H new ATOM 757 N ASP A 53 14.228 8.967 4.392 1.00 0.00 N ATOM 758 CA ASP A 53 15.604 8.856 4.861 1.00 0.00 C ATOM 759 C ASP A 53 15.645 8.428 6.325 1.00 0.00 C ATOM 760 O ASP A 53 15.621 9.265 7.228 1.00 0.00 O ATOM 761 CB ASP A 53 16.335 10.187 4.685 1.00 0.00 C ATOM 762 CG ASP A 53 17.822 10.005 4.454 1.00 0.00 C ATOM 763 OD1 ASP A 53 18.229 9.870 3.281 1.00 0.00 O ATOM 764 OD2 ASP A 53 18.579 10.000 5.447 1.00 0.00 O ATOM 0 H ASP A 53 13.929 9.920 4.186 1.00 0.00 H new ATOM 0 HA ASP A 53 16.105 8.094 4.264 1.00 0.00 H new ATOM 0 HB2 ASP A 53 15.903 10.727 3.842 1.00 0.00 H new ATOM 0 HB3 ASP A 53 16.181 10.803 5.571 1.00 0.00 H new ATOM 769 N PHE A 54 15.707 7.121 6.553 1.00 0.00 N ATOM 770 CA PHE A 54 15.750 6.582 7.908 1.00 0.00 C ATOM 771 C PHE A 54 17.046 6.977 8.610 1.00 0.00 C ATOM 772 O PHE A 54 17.035 7.403 9.765 1.00 0.00 O ATOM 773 CB PHE A 54 15.617 5.058 7.878 1.00 0.00 C ATOM 774 CG PHE A 54 14.208 4.583 7.665 1.00 0.00 C ATOM 775 CD1 PHE A 54 13.683 4.481 6.387 1.00 0.00 C ATOM 776 CD2 PHE A 54 13.409 4.239 8.743 1.00 0.00 C ATOM 777 CE1 PHE A 54 12.386 4.044 6.188 1.00 0.00 C ATOM 778 CE2 PHE A 54 12.112 3.801 8.551 1.00 0.00 C ATOM 779 CZ PHE A 54 11.600 3.705 7.271 1.00 0.00 C ATOM 0 H PHE A 54 15.729 6.415 5.817 1.00 0.00 H new ATOM 0 HA PHE A 54 14.913 7.002 8.466 1.00 0.00 H new ATOM 0 HB2 PHE A 54 16.249 4.662 7.084 1.00 0.00 H new ATOM 0 HB3 PHE A 54 15.991 4.650 8.817 1.00 0.00 H new ATOM 0 HD1 PHE A 54 14.294 4.746 5.536 1.00 0.00 H new ATOM 0 HD2 PHE A 54 13.804 4.314 9.745 1.00 0.00 H new ATOM 0 HE1 PHE A 54 11.989 3.968 5.187 1.00 0.00 H new ATOM 0 HE2 PHE A 54 11.500 3.534 9.400 1.00 0.00 H new ATOM 0 HZ PHE A 54 10.586 3.365 7.118 1.00 0.00 H new ATOM 789 N LYS A 55 18.162 6.833 7.903 1.00 0.00 N ATOM 790 CA LYS A 55 19.467 7.174 8.456 1.00 0.00 C ATOM 791 C LYS A 55 19.510 6.904 9.956 1.00 0.00 C ATOM 792 O LYS A 55 20.158 7.632 10.708 1.00 0.00 O ATOM 793 CB LYS A 55 19.791 8.645 8.182 1.00 0.00 C ATOM 794 CG LYS A 55 18.585 9.562 8.284 1.00 0.00 C ATOM 795 CD LYS A 55 18.258 9.895 9.730 1.00 0.00 C ATOM 796 CE LYS A 55 19.145 11.012 10.258 1.00 0.00 C ATOM 797 NZ LYS A 55 18.645 12.356 9.855 1.00 0.00 N ATOM 0 H LYS A 55 18.188 6.482 6.946 1.00 0.00 H new ATOM 0 HA LYS A 55 20.215 6.547 7.971 1.00 0.00 H new ATOM 0 HB2 LYS A 55 20.551 8.979 8.888 1.00 0.00 H new ATOM 0 HB3 LYS A 55 20.221 8.734 7.185 1.00 0.00 H new ATOM 0 HG2 LYS A 55 18.779 10.482 7.733 1.00 0.00 H new ATOM 0 HG3 LYS A 55 17.724 9.085 7.816 1.00 0.00 H new ATOM 0 HD2 LYS A 55 17.212 10.191 9.809 1.00 0.00 H new ATOM 0 HD3 LYS A 55 18.385 9.006 10.347 1.00 0.00 H new ATOM 0 HE2 LYS A 55 19.193 10.954 11.345 1.00 0.00 H new ATOM 0 HE3 LYS A 55 20.160 10.876 9.886 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 19.277 13.090 10.234 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 18.623 12.421 8.817 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 17.686 12.497 10.231 1.00 0.00 H new ATOM 811 N GLU A 56 18.818 5.853 10.384 1.00 0.00 N ATOM 812 CA GLU A 56 18.779 5.488 11.795 1.00 0.00 C ATOM 813 C GLU A 56 20.179 5.515 12.403 1.00 0.00 C ATOM 814 O GLU A 56 21.017 4.666 12.097 1.00 0.00 O ATOM 815 CB GLU A 56 18.163 4.098 11.969 1.00 0.00 C ATOM 816 CG GLU A 56 19.048 2.972 11.463 1.00 0.00 C ATOM 817 CD GLU A 56 18.280 1.685 11.232 1.00 0.00 C ATOM 818 OE1 GLU A 56 18.149 0.893 12.189 1.00 0.00 O ATOM 819 OE2 GLU A 56 17.811 1.470 10.095 1.00 0.00 O ATOM 0 H GLU A 56 18.277 5.240 9.774 1.00 0.00 H new ATOM 0 HA GLU A 56 18.161 6.219 12.316 1.00 0.00 H new ATOM 0 HB2 GLU A 56 17.950 3.934 13.025 1.00 0.00 H new ATOM 0 HB3 GLU A 56 17.209 4.064 11.442 1.00 0.00 H new ATOM 0 HG2 GLU A 56 19.523 3.279 10.531 1.00 0.00 H new ATOM 0 HG3 GLU A 56 19.846 2.790 12.183 1.00 0.00 H new ATOM 826 N VAL A 57 20.424 6.496 13.265 1.00 0.00 N ATOM 827 CA VAL A 57 21.722 6.635 13.917 1.00 0.00 C ATOM 828 C VAL A 57 21.565 6.791 15.425 1.00 0.00 C ATOM 829 O VAL A 57 21.028 7.788 15.904 1.00 0.00 O ATOM 830 CB VAL A 57 22.501 7.843 13.365 1.00 0.00 C ATOM 831 CG1 VAL A 57 23.801 8.035 14.131 1.00 0.00 C ATOM 832 CG2 VAL A 57 22.769 7.670 11.878 1.00 0.00 C ATOM 0 H VAL A 57 19.741 7.207 13.529 1.00 0.00 H new ATOM 0 HA VAL A 57 22.282 5.724 13.705 1.00 0.00 H new ATOM 0 HB VAL A 57 21.893 8.738 13.499 1.00 0.00 H new ATOM 0 HG11 VAL A 57 24.338 8.893 13.727 1.00 0.00 H new ATOM 0 HG12 VAL A 57 23.580 8.208 15.184 1.00 0.00 H new ATOM 0 HG13 VAL A 57 24.417 7.142 14.031 1.00 0.00 H new ATOM 0 HG21 VAL A 57 23.320 8.533 11.505 1.00 0.00 H new ATOM 0 HG22 VAL A 57 23.357 6.766 11.717 1.00 0.00 H new ATOM 0 HG23 VAL A 57 21.822 7.586 11.345 1.00 0.00 H new ATOM 842 N GLY A 58 22.039 5.796 16.170 1.00 0.00 N ATOM 843 CA GLY A 58 21.942 5.842 17.617 1.00 0.00 C ATOM 844 C GLY A 58 22.969 4.957 18.296 1.00 0.00 C ATOM 845 O GLY A 58 23.736 5.420 19.140 1.00 0.00 O ATOM 0 H GLY A 58 22.488 4.960 15.797 1.00 0.00 H new ATOM 0 HA2 GLY A 58 22.073 6.870 17.954 1.00 0.00 H new ATOM 0 HA3 GLY A 58 20.942 5.532 17.921 1.00 0.00 H new ATOM 849 N SER A 59 22.983 3.680 17.927 1.00 0.00 N ATOM 850 CA SER A 59 23.919 2.727 18.510 1.00 0.00 C ATOM 851 C SER A 59 24.387 1.717 17.466 1.00 0.00 C ATOM 852 O SER A 59 23.689 1.450 16.488 1.00 0.00 O ATOM 853 CB SER A 59 23.270 1.996 19.687 1.00 0.00 C ATOM 854 OG SER A 59 24.175 1.082 20.282 1.00 0.00 O ATOM 0 H SER A 59 22.357 3.282 17.227 1.00 0.00 H new ATOM 0 HA SER A 59 24.786 3.281 18.869 1.00 0.00 H new ATOM 0 HB2 SER A 59 22.939 2.721 20.431 1.00 0.00 H new ATOM 0 HB3 SER A 59 22.383 1.463 19.344 1.00 0.00 H new ATOM 0 HG SER A 59 23.737 0.629 21.032 1.00 0.00 H new ATOM 860 N GLY A 60 25.574 1.158 17.682 1.00 0.00 N ATOM 861 CA GLY A 60 26.115 0.184 16.752 1.00 0.00 C ATOM 862 C GLY A 60 26.906 0.830 15.632 1.00 0.00 C ATOM 863 O GLY A 60 27.101 2.045 15.601 1.00 0.00 O ATOM 0 H GLY A 60 26.170 1.362 18.484 1.00 0.00 H new ATOM 0 HA2 GLY A 60 26.757 -0.512 17.292 1.00 0.00 H new ATOM 0 HA3 GLY A 60 25.299 -0.400 16.327 1.00 0.00 H new ATOM 867 N PRO A 61 27.379 0.006 14.685 1.00 0.00 N ATOM 868 CA PRO A 61 28.163 0.481 13.541 1.00 0.00 C ATOM 869 C PRO A 61 27.321 1.287 12.557 1.00 0.00 C ATOM 870 O PRO A 61 26.300 0.810 12.063 1.00 0.00 O ATOM 871 CB PRO A 61 28.657 -0.812 12.887 1.00 0.00 C ATOM 872 CG PRO A 61 27.658 -1.843 13.285 1.00 0.00 C ATOM 873 CD PRO A 61 27.185 -1.454 14.658 1.00 0.00 C ATOM 0 HA PRO A 61 28.965 1.153 13.847 1.00 0.00 H new ATOM 0 HB2 PRO A 61 28.712 -0.712 11.803 1.00 0.00 H new ATOM 0 HB3 PRO A 61 29.656 -1.074 13.234 1.00 0.00 H new ATOM 0 HG2 PRO A 61 26.827 -1.874 12.580 1.00 0.00 H new ATOM 0 HG3 PRO A 61 28.105 -2.837 13.294 1.00 0.00 H new ATOM 0 HD2 PRO A 61 26.141 -1.724 14.814 1.00 0.00 H new ATOM 0 HD3 PRO A 61 27.763 -1.951 15.438 1.00 0.00 H new ATOM 881 N SER A 62 27.757 2.511 12.277 1.00 0.00 N ATOM 882 CA SER A 62 27.041 3.385 11.354 1.00 0.00 C ATOM 883 C SER A 62 27.122 2.851 9.928 1.00 0.00 C ATOM 884 O SER A 62 28.018 3.214 9.166 1.00 0.00 O ATOM 885 CB SER A 62 27.614 4.803 11.413 1.00 0.00 C ATOM 886 OG SER A 62 27.127 5.594 10.344 1.00 0.00 O ATOM 0 H SER A 62 28.602 2.920 12.676 1.00 0.00 H new ATOM 0 HA SER A 62 25.994 3.411 11.655 1.00 0.00 H new ATOM 0 HB2 SER A 62 27.349 5.267 12.363 1.00 0.00 H new ATOM 0 HB3 SER A 62 28.702 4.761 11.372 1.00 0.00 H new ATOM 0 HG SER A 62 27.506 6.496 10.405 1.00 0.00 H new ATOM 892 N SER A 63 26.178 1.985 9.572 1.00 0.00 N ATOM 893 CA SER A 63 26.142 1.397 8.239 1.00 0.00 C ATOM 894 C SER A 63 24.740 1.482 7.644 1.00 0.00 C ATOM 895 O SER A 63 23.744 1.345 8.353 1.00 0.00 O ATOM 896 CB SER A 63 26.599 -0.062 8.290 1.00 0.00 C ATOM 897 OG SER A 63 28.002 -0.164 8.117 1.00 0.00 O ATOM 0 H SER A 63 25.427 1.675 10.189 1.00 0.00 H new ATOM 0 HA SER A 63 26.822 1.962 7.602 1.00 0.00 H new ATOM 0 HB2 SER A 63 26.314 -0.502 9.246 1.00 0.00 H new ATOM 0 HB3 SER A 63 26.091 -0.633 7.512 1.00 0.00 H new ATOM 0 HG SER A 63 28.269 -1.106 8.155 1.00 0.00 H new ATOM 903 N GLY A 64 24.671 1.711 6.336 1.00 0.00 N ATOM 904 CA GLY A 64 23.387 1.811 5.667 1.00 0.00 C ATOM 905 C GLY A 64 23.226 0.783 4.565 1.00 0.00 C ATOM 906 O GLY A 64 24.058 0.738 3.661 1.00 0.00 O ATOM 0 H GLY A 64 25.481 1.829 5.728 1.00 0.00 H new ATOM 0 HA2 GLY A 64 22.589 1.683 6.398 1.00 0.00 H new ATOM 0 HA3 GLY A 64 23.277 2.810 5.246 1.00 0.00 H new TER 910 GLY A 64 HETATM 911 ZN ZN A 200 3.675 -7.702 -1.705 1.00 0.00 ZN HETATM 912 ZN ZN A 400 8.276 3.157 2.706 1.00 0.00 ZN