USER MOD reduce.3.24.130724 H: found=0, std=0, add=441, rem=0, adj=15 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 180:sc= 0 USER MOD Single : A 3 SER OG : rot 44:sc= 0.492 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 15 ASN : amide:sc=-0.000533 X(o=-0.00053,f=-0.013) USER MOD Single : A 16 ASN : amide:sc= 0.12 K(o=0.12,f=-1.8) USER MOD Single : A 20 SER OG : rot -150:sc= -0.0682 USER MOD Single : A 22 ASN : amide:sc= -0.0147 X(o=-0.015,f=0) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ -156:sc= 0.49 (180deg=0.249) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 SER OG : rot 69:sc= 1.4 USER MOD Single : A 37 THR OG1 : rot 170:sc= 0.0179 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 31:sc= 0.0318 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 -25.904 28.134 -1.568 1.00 0.00 N ATOM 2 CA GLY A 1 -25.860 26.684 -1.527 1.00 0.00 C ATOM 3 C GLY A 1 -27.108 26.083 -0.911 1.00 0.00 C ATOM 4 O GLY A 1 -27.974 25.570 -1.620 1.00 0.00 O ATOM 0 H1 GLY A 1 -25.029 28.496 -1.998 1.00 0.00 H new ATOM 0 H2 GLY A 1 -26.720 28.441 -2.135 1.00 0.00 H new ATOM 0 H3 GLY A 1 -25.995 28.506 -0.601 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -25.736 26.299 -2.539 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -24.988 26.366 -0.956 1.00 0.00 H new ATOM 8 N SER A 2 -27.201 26.145 0.414 1.00 0.00 N ATOM 9 CA SER A 2 -28.350 25.598 1.125 1.00 0.00 C ATOM 10 C SER A 2 -28.573 24.135 0.754 1.00 0.00 C ATOM 11 O SER A 2 -29.706 23.701 0.549 1.00 0.00 O ATOM 12 CB SER A 2 -29.607 26.412 0.811 1.00 0.00 C ATOM 13 OG SER A 2 -29.612 27.638 1.523 1.00 0.00 O ATOM 0 H SER A 2 -26.495 26.568 1.016 1.00 0.00 H new ATOM 0 HA SER A 2 -28.145 25.657 2.194 1.00 0.00 H new ATOM 0 HB2 SER A 2 -29.658 26.609 -0.260 1.00 0.00 H new ATOM 0 HB3 SER A 2 -30.493 25.833 1.071 1.00 0.00 H new ATOM 0 HG SER A 2 -30.424 28.140 1.304 1.00 0.00 H new ATOM 19 N SER A 3 -27.482 23.380 0.671 1.00 0.00 N ATOM 20 CA SER A 3 -27.556 21.966 0.321 1.00 0.00 C ATOM 21 C SER A 3 -27.091 21.094 1.483 1.00 0.00 C ATOM 22 O SER A 3 -25.893 20.921 1.703 1.00 0.00 O ATOM 23 CB SER A 3 -26.706 21.681 -0.919 1.00 0.00 C ATOM 24 OG SER A 3 -25.375 22.134 -0.740 1.00 0.00 O ATOM 0 H SER A 3 -26.537 23.724 0.841 1.00 0.00 H new ATOM 0 HA SER A 3 -28.596 21.724 0.103 1.00 0.00 H new ATOM 0 HB2 SER A 3 -26.705 20.611 -1.125 1.00 0.00 H new ATOM 0 HB3 SER A 3 -27.147 22.172 -1.787 1.00 0.00 H new ATOM 0 HG SER A 3 -25.064 21.889 0.156 1.00 0.00 H new ATOM 30 N GLY A 4 -28.049 20.546 2.224 1.00 0.00 N ATOM 31 CA GLY A 4 -27.719 19.699 3.355 1.00 0.00 C ATOM 32 C GLY A 4 -27.368 18.285 2.937 1.00 0.00 C ATOM 33 O GLY A 4 -28.248 17.496 2.590 1.00 0.00 O ATOM 0 H GLY A 4 -29.048 20.674 2.061 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -26.879 20.133 3.897 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -28.564 19.672 4.044 1.00 0.00 H new ATOM 37 N SER A 5 -26.079 17.963 2.967 1.00 0.00 N ATOM 38 CA SER A 5 -25.613 16.636 2.582 1.00 0.00 C ATOM 39 C SER A 5 -24.175 16.411 3.039 1.00 0.00 C ATOM 40 O SER A 5 -23.412 17.361 3.214 1.00 0.00 O ATOM 41 CB SER A 5 -25.712 16.457 1.066 1.00 0.00 C ATOM 42 OG SER A 5 -25.056 17.512 0.384 1.00 0.00 O ATOM 0 H SER A 5 -25.338 18.603 3.254 1.00 0.00 H new ATOM 0 HA SER A 5 -26.251 15.899 3.070 1.00 0.00 H new ATOM 0 HB2 SER A 5 -25.269 15.503 0.780 1.00 0.00 H new ATOM 0 HB3 SER A 5 -26.760 16.423 0.768 1.00 0.00 H new ATOM 0 HG SER A 5 -25.132 17.374 -0.583 1.00 0.00 H new ATOM 48 N SER A 6 -23.813 15.146 3.231 1.00 0.00 N ATOM 49 CA SER A 6 -22.468 14.795 3.672 1.00 0.00 C ATOM 50 C SER A 6 -21.428 15.230 2.643 1.00 0.00 C ATOM 51 O SER A 6 -20.537 16.024 2.941 1.00 0.00 O ATOM 52 CB SER A 6 -22.364 13.288 3.913 1.00 0.00 C ATOM 53 OG SER A 6 -23.124 12.900 5.045 1.00 0.00 O ATOM 0 H SER A 6 -24.432 14.348 3.088 1.00 0.00 H new ATOM 0 HA SER A 6 -22.271 15.319 4.607 1.00 0.00 H new ATOM 0 HB2 SER A 6 -22.716 12.750 3.033 1.00 0.00 H new ATOM 0 HB3 SER A 6 -21.320 13.011 4.059 1.00 0.00 H new ATOM 0 HG SER A 6 -23.043 11.932 5.177 1.00 0.00 H new ATOM 59 N GLY A 7 -21.550 14.701 1.429 1.00 0.00 N ATOM 60 CA GLY A 7 -20.615 15.045 0.373 1.00 0.00 C ATOM 61 C GLY A 7 -19.268 14.372 0.550 1.00 0.00 C ATOM 62 O GLY A 7 -18.385 14.876 1.245 1.00 0.00 O ATOM 0 H GLY A 7 -22.279 14.041 1.158 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -21.037 14.758 -0.590 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -20.478 16.126 0.351 1.00 0.00 H new ATOM 66 N PRO A 8 -19.096 13.206 -0.089 1.00 0.00 N ATOM 67 CA PRO A 8 -17.850 12.437 -0.013 1.00 0.00 C ATOM 68 C PRO A 8 -16.702 13.121 -0.748 1.00 0.00 C ATOM 69 O PRO A 8 -16.852 13.548 -1.893 1.00 0.00 O ATOM 70 CB PRO A 8 -18.208 11.114 -0.694 1.00 0.00 C ATOM 71 CG PRO A 8 -19.330 11.451 -1.613 1.00 0.00 C ATOM 72 CD PRO A 8 -20.105 12.547 -0.935 1.00 0.00 C ATOM 0 HA PRO A 8 -17.503 12.323 1.014 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -17.357 10.708 -1.241 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -18.507 10.362 0.036 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -18.955 11.780 -2.582 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -19.961 10.581 -1.794 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -20.538 13.239 -1.657 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -20.929 12.149 -0.342 1.00 0.00 H new ATOM 80 N SER A 9 -15.556 13.221 -0.083 1.00 0.00 N ATOM 81 CA SER A 9 -14.383 13.856 -0.672 1.00 0.00 C ATOM 82 C SER A 9 -13.643 12.886 -1.589 1.00 0.00 C ATOM 83 O SER A 9 -13.271 13.235 -2.709 1.00 0.00 O ATOM 84 CB SER A 9 -13.442 14.357 0.425 1.00 0.00 C ATOM 85 OG SER A 9 -12.210 14.796 -0.120 1.00 0.00 O ATOM 0 H SER A 9 -15.415 12.870 0.864 1.00 0.00 H new ATOM 0 HA SER A 9 -14.721 14.705 -1.266 1.00 0.00 H new ATOM 0 HB2 SER A 9 -13.915 15.175 0.968 1.00 0.00 H new ATOM 0 HB3 SER A 9 -13.261 13.559 1.145 1.00 0.00 H new ATOM 0 HG SER A 9 -11.627 15.113 0.602 1.00 0.00 H new ATOM 91 N ARG A 10 -13.433 11.667 -1.103 1.00 0.00 N ATOM 92 CA ARG A 10 -12.736 10.646 -1.877 1.00 0.00 C ATOM 93 C ARG A 10 -13.678 9.501 -2.239 1.00 0.00 C ATOM 94 O ARG A 10 -14.609 9.174 -1.503 1.00 0.00 O ATOM 95 CB ARG A 10 -11.540 10.107 -1.090 1.00 0.00 C ATOM 96 CG ARG A 10 -11.930 9.370 0.181 1.00 0.00 C ATOM 97 CD ARG A 10 -11.934 10.300 1.385 1.00 0.00 C ATOM 98 NE ARG A 10 -10.599 10.460 1.957 1.00 0.00 N ATOM 99 CZ ARG A 10 -10.378 10.824 3.215 1.00 0.00 C ATOM 100 NH1 ARG A 10 -11.397 11.063 4.029 1.00 0.00 N ATOM 101 NH2 ARG A 10 -9.135 10.948 3.662 1.00 0.00 N ATOM 0 H ARG A 10 -13.735 11.362 -0.178 1.00 0.00 H new ATOM 0 HA ARG A 10 -12.379 11.105 -2.799 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -10.968 9.434 -1.729 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -10.882 10.937 -0.832 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -12.919 8.928 0.058 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -11.234 8.550 0.356 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -12.321 11.275 1.089 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -12.609 9.907 2.145 1.00 0.00 H new ATOM 0 HE ARG A 10 -9.793 10.282 1.358 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -12.354 10.967 3.690 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -11.224 11.342 4.995 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -8.348 10.764 3.039 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -8.966 11.228 4.628 1.00 0.00 H new ATOM 115 N PRO A 11 -13.432 8.877 -3.400 1.00 0.00 N ATOM 116 CA PRO A 11 -14.247 7.759 -3.886 1.00 0.00 C ATOM 117 C PRO A 11 -14.055 6.496 -3.054 1.00 0.00 C ATOM 118 O PRO A 11 -13.377 6.516 -2.026 1.00 0.00 O ATOM 119 CB PRO A 11 -13.737 7.543 -5.313 1.00 0.00 C ATOM 120 CG PRO A 11 -12.342 8.066 -5.300 1.00 0.00 C ATOM 121 CD PRO A 11 -12.339 9.213 -4.328 1.00 0.00 C ATOM 0 HA PRO A 11 -15.313 7.977 -3.828 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -13.762 6.488 -5.587 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -14.353 8.075 -6.038 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -11.638 7.292 -4.993 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -12.040 8.396 -6.294 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -11.384 9.298 -3.810 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -12.516 10.165 -4.829 1.00 0.00 H new ATOM 129 N VAL A 12 -14.654 5.399 -3.504 1.00 0.00 N ATOM 130 CA VAL A 12 -14.547 4.126 -2.802 1.00 0.00 C ATOM 131 C VAL A 12 -13.210 3.452 -3.087 1.00 0.00 C ATOM 132 O VAL A 12 -13.163 2.290 -3.493 1.00 0.00 O ATOM 133 CB VAL A 12 -15.687 3.169 -3.198 1.00 0.00 C ATOM 134 CG1 VAL A 12 -17.038 3.770 -2.841 1.00 0.00 C ATOM 135 CG2 VAL A 12 -15.615 2.841 -4.682 1.00 0.00 C ATOM 0 H VAL A 12 -15.219 5.366 -4.353 1.00 0.00 H new ATOM 0 HA VAL A 12 -14.620 4.345 -1.737 1.00 0.00 H new ATOM 0 HB VAL A 12 -15.570 2.241 -2.638 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -17.831 3.079 -3.128 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -17.084 3.949 -1.767 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -17.168 4.713 -3.372 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -16.428 2.164 -4.945 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -15.706 3.759 -5.262 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -14.660 2.365 -4.903 1.00 0.00 H new ATOM 145 N ARG A 13 -12.125 4.188 -2.871 1.00 0.00 N ATOM 146 CA ARG A 13 -10.785 3.661 -3.106 1.00 0.00 C ATOM 147 C ARG A 13 -10.088 3.342 -1.786 1.00 0.00 C ATOM 148 O ARG A 13 -9.524 4.216 -1.127 1.00 0.00 O ATOM 149 CB ARG A 13 -9.953 4.664 -3.906 1.00 0.00 C ATOM 150 CG ARG A 13 -10.516 4.960 -5.286 1.00 0.00 C ATOM 151 CD ARG A 13 -10.228 3.829 -6.260 1.00 0.00 C ATOM 152 NE ARG A 13 -10.819 4.073 -7.573 1.00 0.00 N ATOM 153 CZ ARG A 13 -12.090 3.822 -7.865 1.00 0.00 C ATOM 154 NH1 ARG A 13 -12.900 3.323 -6.941 1.00 0.00 N ATOM 155 NH2 ARG A 13 -12.554 4.071 -9.083 1.00 0.00 N ATOM 0 H ARG A 13 -12.147 5.150 -2.534 1.00 0.00 H new ATOM 0 HA ARG A 13 -10.879 2.739 -3.680 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -9.884 5.595 -3.344 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -8.939 4.279 -4.012 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -11.593 5.115 -5.215 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -10.085 5.887 -5.665 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -9.150 3.707 -6.365 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -10.617 2.895 -5.856 1.00 0.00 H new ATOM 0 HE ARG A 13 -10.223 4.457 -8.306 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -12.547 3.131 -6.003 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -13.876 3.131 -7.168 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -11.934 4.456 -9.796 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -13.530 3.878 -9.306 1.00 0.00 H new ATOM 169 N PRO A 14 -10.126 2.061 -1.391 1.00 0.00 N ATOM 170 CA PRO A 14 -9.503 1.598 -0.148 1.00 0.00 C ATOM 171 C PRO A 14 -7.980 1.634 -0.214 1.00 0.00 C ATOM 172 O PRO A 14 -7.403 2.037 -1.223 1.00 0.00 O ATOM 173 CB PRO A 14 -9.999 0.155 -0.019 1.00 0.00 C ATOM 174 CG PRO A 14 -10.300 -0.268 -1.415 1.00 0.00 C ATOM 175 CD PRO A 14 -10.781 0.967 -2.127 1.00 0.00 C ATOM 0 HA PRO A 14 -9.765 2.231 0.700 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -9.242 -0.485 0.434 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -10.886 0.096 0.612 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -9.413 -0.677 -1.899 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -11.060 -1.049 -1.431 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -10.494 0.962 -3.179 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -11.867 1.053 -2.093 1.00 0.00 H new ATOM 183 N ASN A 15 -7.335 1.209 0.867 1.00 0.00 N ATOM 184 CA ASN A 15 -5.878 1.193 0.931 1.00 0.00 C ATOM 185 C ASN A 15 -5.366 -0.191 1.318 1.00 0.00 C ATOM 186 O ASN A 15 -4.290 -0.325 1.899 1.00 0.00 O ATOM 187 CB ASN A 15 -5.380 2.233 1.937 1.00 0.00 C ATOM 188 CG ASN A 15 -5.639 3.654 1.475 1.00 0.00 C ATOM 189 OD1 ASN A 15 -5.219 4.052 0.388 1.00 0.00 O ATOM 190 ND2 ASN A 15 -6.333 4.427 2.301 1.00 0.00 N ATOM 0 H ASN A 15 -7.798 0.871 1.711 1.00 0.00 H new ATOM 0 HA ASN A 15 -5.493 1.440 -0.058 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -5.871 2.071 2.897 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -4.311 2.095 2.099 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -6.538 5.393 2.045 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -6.662 4.055 3.192 1.00 0.00 H new ATOM 197 N ASN A 16 -6.145 -1.217 0.992 1.00 0.00 N ATOM 198 CA ASN A 16 -5.770 -2.591 1.305 1.00 0.00 C ATOM 199 C ASN A 16 -5.110 -3.262 0.104 1.00 0.00 C ATOM 200 O ASN A 16 -5.756 -4.000 -0.640 1.00 0.00 O ATOM 201 CB ASN A 16 -7.000 -3.391 1.738 1.00 0.00 C ATOM 202 CG ASN A 16 -8.263 -2.937 1.032 1.00 0.00 C ATOM 203 OD1 ASN A 16 -9.209 -2.470 1.667 1.00 0.00 O ATOM 204 ND2 ASN A 16 -8.284 -3.072 -0.289 1.00 0.00 N ATOM 0 H ASN A 16 -7.040 -1.123 0.511 1.00 0.00 H new ATOM 0 HA ASN A 16 -5.053 -2.568 2.125 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -6.833 -4.448 1.533 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -7.134 -3.292 2.815 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -9.107 -2.783 -0.818 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -7.477 -3.464 -0.774 1.00 0.00 H new ATOM 211 N ARG A 17 -3.819 -3.001 -0.078 1.00 0.00 N ATOM 212 CA ARG A 17 -3.072 -3.579 -1.188 1.00 0.00 C ATOM 213 C ARG A 17 -1.571 -3.380 -0.995 1.00 0.00 C ATOM 214 O ARG A 17 -1.142 -2.521 -0.225 1.00 0.00 O ATOM 215 CB ARG A 17 -3.515 -2.951 -2.511 1.00 0.00 C ATOM 216 CG ARG A 17 -4.677 -3.676 -3.170 1.00 0.00 C ATOM 217 CD ARG A 17 -4.843 -3.257 -4.622 1.00 0.00 C ATOM 218 NE ARG A 17 -6.216 -3.430 -5.089 1.00 0.00 N ATOM 219 CZ ARG A 17 -6.743 -2.740 -6.093 1.00 0.00 C ATOM 220 NH1 ARG A 17 -6.016 -1.835 -6.734 1.00 0.00 N ATOM 221 NH2 ARG A 17 -8.000 -2.954 -6.459 1.00 0.00 N ATOM 0 H ARG A 17 -3.269 -2.393 0.529 1.00 0.00 H new ATOM 0 HA ARG A 17 -3.279 -4.649 -1.215 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -3.798 -1.913 -2.334 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -2.669 -2.938 -3.198 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -4.513 -4.752 -3.117 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -5.596 -3.466 -2.622 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -4.551 -2.213 -4.733 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -4.171 -3.844 -5.248 1.00 0.00 H new ATOM 0 HE ARG A 17 -6.802 -4.119 -4.618 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -5.049 -1.668 -6.456 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -6.424 -1.306 -7.505 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -8.563 -3.649 -5.969 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -8.404 -2.423 -7.231 1.00 0.00 H new ATOM 235 N CYS A 18 -0.778 -4.180 -1.700 1.00 0.00 N ATOM 236 CA CYS A 18 0.674 -4.093 -1.606 1.00 0.00 C ATOM 237 C CYS A 18 1.229 -3.125 -2.647 1.00 0.00 C ATOM 238 O CYS A 18 0.844 -3.165 -3.816 1.00 0.00 O ATOM 239 CB CYS A 18 1.302 -5.476 -1.794 1.00 0.00 C ATOM 240 SG CYS A 18 3.101 -5.520 -1.514 1.00 0.00 S ATOM 0 H CYS A 18 -1.117 -4.896 -2.343 1.00 0.00 H new ATOM 0 HA CYS A 18 0.927 -3.718 -0.614 1.00 0.00 H new ATOM 0 HB2 CYS A 18 0.822 -6.177 -1.112 1.00 0.00 H new ATOM 0 HB3 CYS A 18 1.094 -5.823 -2.806 1.00 0.00 H new ATOM 245 N PHE A 19 2.137 -2.257 -2.215 1.00 0.00 N ATOM 246 CA PHE A 19 2.745 -1.278 -3.108 1.00 0.00 C ATOM 247 C PHE A 19 3.893 -1.901 -3.898 1.00 0.00 C ATOM 248 O PHE A 19 4.785 -1.200 -4.375 1.00 0.00 O ATOM 249 CB PHE A 19 3.254 -0.075 -2.311 1.00 0.00 C ATOM 250 CG PHE A 19 3.670 1.083 -3.173 1.00 0.00 C ATOM 251 CD1 PHE A 19 2.721 1.933 -3.718 1.00 0.00 C ATOM 252 CD2 PHE A 19 5.009 1.322 -3.437 1.00 0.00 C ATOM 253 CE1 PHE A 19 3.101 2.999 -4.512 1.00 0.00 C ATOM 254 CE2 PHE A 19 5.394 2.386 -4.230 1.00 0.00 C ATOM 255 CZ PHE A 19 4.439 3.226 -4.767 1.00 0.00 C ATOM 0 H PHE A 19 2.468 -2.211 -1.251 1.00 0.00 H new ATOM 0 HA PHE A 19 1.983 -0.943 -3.811 1.00 0.00 H new ATOM 0 HB2 PHE A 19 2.472 0.254 -1.627 1.00 0.00 H new ATOM 0 HB3 PHE A 19 4.102 -0.386 -1.701 1.00 0.00 H new ATOM 0 HD1 PHE A 19 1.673 1.761 -3.520 1.00 0.00 H new ATOM 0 HD2 PHE A 19 5.760 0.669 -3.018 1.00 0.00 H new ATOM 0 HE1 PHE A 19 2.352 3.654 -4.932 1.00 0.00 H new ATOM 0 HE2 PHE A 19 6.441 2.560 -4.430 1.00 0.00 H new ATOM 0 HZ PHE A 19 4.738 4.059 -5.386 1.00 0.00 H new ATOM 265 N SER A 20 3.862 -3.223 -4.030 1.00 0.00 N ATOM 266 CA SER A 20 4.902 -3.943 -4.757 1.00 0.00 C ATOM 267 C SER A 20 4.290 -4.979 -5.696 1.00 0.00 C ATOM 268 O SER A 20 4.708 -5.116 -6.846 1.00 0.00 O ATOM 269 CB SER A 20 5.858 -4.627 -3.779 1.00 0.00 C ATOM 270 OG SER A 20 6.925 -3.765 -3.422 1.00 0.00 O ATOM 0 H SER A 20 3.129 -3.817 -3.643 1.00 0.00 H new ATOM 0 HA SER A 20 5.460 -3.221 -5.354 1.00 0.00 H new ATOM 0 HB2 SER A 20 5.314 -4.927 -2.884 1.00 0.00 H new ATOM 0 HB3 SER A 20 6.256 -5.536 -4.230 1.00 0.00 H new ATOM 0 HG SER A 20 7.723 -4.298 -3.222 1.00 0.00 H new ATOM 276 N CYS A 21 3.296 -5.706 -5.197 1.00 0.00 N ATOM 277 CA CYS A 21 2.625 -6.731 -5.988 1.00 0.00 C ATOM 278 C CYS A 21 1.149 -6.393 -6.176 1.00 0.00 C ATOM 279 O CYS A 21 0.433 -7.078 -6.904 1.00 0.00 O ATOM 280 CB CYS A 21 2.766 -8.098 -5.315 1.00 0.00 C ATOM 281 SG CYS A 21 2.341 -8.102 -3.544 1.00 0.00 S ATOM 0 H CYS A 21 2.937 -5.604 -4.248 1.00 0.00 H new ATOM 0 HA CYS A 21 3.099 -6.766 -6.969 1.00 0.00 H new ATOM 0 HB2 CYS A 21 2.127 -8.814 -5.833 1.00 0.00 H new ATOM 0 HB3 CYS A 21 3.793 -8.445 -5.432 1.00 0.00 H new ATOM 286 N ASN A 22 0.702 -5.331 -5.513 1.00 0.00 N ATOM 287 CA ASN A 22 -0.689 -4.902 -5.606 1.00 0.00 C ATOM 288 C ASN A 22 -1.624 -5.959 -5.026 1.00 0.00 C ATOM 289 O ASN A 22 -2.797 -6.034 -5.391 1.00 0.00 O ATOM 290 CB ASN A 22 -1.061 -4.621 -7.064 1.00 0.00 C ATOM 291 CG ASN A 22 -0.828 -3.174 -7.451 1.00 0.00 C ATOM 292 OD1 ASN A 22 0.055 -2.868 -8.252 1.00 0.00 O ATOM 293 ND2 ASN A 22 -1.623 -2.274 -6.882 1.00 0.00 N ATOM 0 H ASN A 22 1.282 -4.752 -4.906 1.00 0.00 H new ATOM 0 HA ASN A 22 -0.801 -3.986 -5.026 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -0.475 -5.268 -7.717 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -2.109 -4.873 -7.224 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -1.514 -1.284 -7.104 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -2.342 -2.573 -6.223 1.00 0.00 H new ATOM 300 N LYS A 23 -1.097 -6.773 -4.118 1.00 0.00 N ATOM 301 CA LYS A 23 -1.883 -7.825 -3.484 1.00 0.00 C ATOM 302 C LYS A 23 -2.687 -7.271 -2.312 1.00 0.00 C ATOM 303 O LYS A 23 -2.123 -6.866 -1.295 1.00 0.00 O ATOM 304 CB LYS A 23 -0.969 -8.953 -3.002 1.00 0.00 C ATOM 305 CG LYS A 23 -1.580 -9.803 -1.901 1.00 0.00 C ATOM 306 CD LYS A 23 -0.780 -11.073 -1.668 1.00 0.00 C ATOM 307 CE LYS A 23 0.272 -10.879 -0.587 1.00 0.00 C ATOM 308 NZ LYS A 23 0.825 -12.177 -0.111 1.00 0.00 N ATOM 0 H LYS A 23 -0.128 -6.724 -3.804 1.00 0.00 H new ATOM 0 HA LYS A 23 -2.578 -8.221 -4.224 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -0.720 -9.594 -3.848 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -0.035 -8.523 -2.641 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -1.625 -9.226 -0.977 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -2.605 -10.061 -2.166 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -1.453 -11.881 -1.381 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -0.297 -11.376 -2.597 1.00 0.00 H new ATOM 0 HE2 LYS A 23 1.081 -10.260 -0.975 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -0.166 -10.341 0.254 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 1.538 -12.001 0.625 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 0.057 -12.758 0.282 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 1.266 -12.680 -0.908 1.00 0.00 H new ATOM 322 N LYS A 24 -4.008 -7.259 -2.459 1.00 0.00 N ATOM 323 CA LYS A 24 -4.890 -6.758 -1.412 1.00 0.00 C ATOM 324 C LYS A 24 -4.431 -7.236 -0.039 1.00 0.00 C ATOM 325 O LYS A 24 -4.471 -8.430 0.259 1.00 0.00 O ATOM 326 CB LYS A 24 -6.329 -7.214 -1.668 1.00 0.00 C ATOM 327 CG LYS A 24 -6.534 -8.708 -1.492 1.00 0.00 C ATOM 328 CD LYS A 24 -7.849 -9.166 -2.099 1.00 0.00 C ATOM 329 CE LYS A 24 -8.205 -10.578 -1.659 1.00 0.00 C ATOM 330 NZ LYS A 24 -9.332 -11.139 -2.454 1.00 0.00 N ATOM 0 H LYS A 24 -4.491 -7.591 -3.294 1.00 0.00 H new ATOM 0 HA LYS A 24 -4.851 -5.669 -1.429 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -6.996 -6.682 -0.990 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -6.615 -6.933 -2.682 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -5.710 -9.247 -1.959 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -6.516 -8.956 -0.431 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -8.644 -8.481 -1.805 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -7.781 -9.129 -3.186 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -7.332 -11.222 -1.763 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -8.473 -10.572 -0.603 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -9.544 -12.102 -2.124 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -10.173 -10.539 -2.335 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -9.067 -11.168 -3.459 1.00 0.00 H new ATOM 344 N VAL A 25 -3.996 -6.297 0.795 1.00 0.00 N ATOM 345 CA VAL A 25 -3.532 -6.623 2.139 1.00 0.00 C ATOM 346 C VAL A 25 -4.612 -6.340 3.177 1.00 0.00 C ATOM 347 O VAL A 25 -4.317 -6.127 4.352 1.00 0.00 O ATOM 348 CB VAL A 25 -2.264 -5.827 2.503 1.00 0.00 C ATOM 349 CG1 VAL A 25 -1.100 -6.242 1.616 1.00 0.00 C ATOM 350 CG2 VAL A 25 -2.524 -4.332 2.392 1.00 0.00 C ATOM 0 H VAL A 25 -3.955 -5.304 0.564 1.00 0.00 H new ATOM 0 HA VAL A 25 -3.298 -7.688 2.144 1.00 0.00 H new ATOM 0 HB VAL A 25 -1.999 -6.051 3.536 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -0.213 -5.669 1.888 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -0.901 -7.305 1.751 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -1.351 -6.049 0.573 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -1.618 -3.785 2.653 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -2.814 -4.088 1.370 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -3.327 -4.051 3.074 1.00 0.00 H new ATOM 360 N GLY A 26 -5.866 -6.339 2.734 1.00 0.00 N ATOM 361 CA GLY A 26 -6.972 -6.082 3.638 1.00 0.00 C ATOM 362 C GLY A 26 -6.617 -5.077 4.716 1.00 0.00 C ATOM 363 O GLY A 26 -5.938 -4.085 4.452 1.00 0.00 O ATOM 0 H GLY A 26 -6.135 -6.512 1.765 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -7.825 -5.713 3.068 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -7.281 -7.017 4.105 1.00 0.00 H new ATOM 367 N VAL A 27 -7.079 -5.333 5.936 1.00 0.00 N ATOM 368 CA VAL A 27 -6.808 -4.443 7.059 1.00 0.00 C ATOM 369 C VAL A 27 -5.695 -4.996 7.941 1.00 0.00 C ATOM 370 O VAL A 27 -5.637 -4.710 9.137 1.00 0.00 O ATOM 371 CB VAL A 27 -8.067 -4.223 7.917 1.00 0.00 C ATOM 372 CG1 VAL A 27 -9.195 -3.647 7.074 1.00 0.00 C ATOM 373 CG2 VAL A 27 -8.496 -5.524 8.578 1.00 0.00 C ATOM 0 H VAL A 27 -7.643 -6.150 6.172 1.00 0.00 H new ATOM 0 HA VAL A 27 -6.494 -3.488 6.638 1.00 0.00 H new ATOM 0 HB VAL A 27 -7.829 -3.505 8.702 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -10.076 -3.499 7.698 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -8.883 -2.691 6.653 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -9.435 -4.338 6.266 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -9.387 -5.349 9.180 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -8.716 -6.266 7.811 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -7.692 -5.890 9.217 1.00 0.00 H new ATOM 383 N MET A 28 -4.812 -5.790 7.344 1.00 0.00 N ATOM 384 CA MET A 28 -3.699 -6.382 8.076 1.00 0.00 C ATOM 385 C MET A 28 -2.388 -6.195 7.318 1.00 0.00 C ATOM 386 O MET A 28 -1.483 -7.023 7.409 1.00 0.00 O ATOM 387 CB MET A 28 -3.953 -7.871 8.317 1.00 0.00 C ATOM 388 CG MET A 28 -5.182 -8.148 9.168 1.00 0.00 C ATOM 389 SD MET A 28 -5.189 -9.815 9.856 1.00 0.00 S ATOM 390 CE MET A 28 -5.963 -9.522 11.445 1.00 0.00 C ATOM 0 H MET A 28 -4.846 -6.038 6.355 1.00 0.00 H new ATOM 0 HA MET A 28 -3.619 -5.874 9.037 1.00 0.00 H new ATOM 0 HB2 MET A 28 -4.066 -8.372 7.356 1.00 0.00 H new ATOM 0 HB3 MET A 28 -3.079 -8.306 8.802 1.00 0.00 H new ATOM 0 HG2 MET A 28 -5.227 -7.423 9.981 1.00 0.00 H new ATOM 0 HG3 MET A 28 -6.078 -8.005 8.563 1.00 0.00 H new ATOM 0 HE1 MET A 28 -6.039 -10.462 11.992 1.00 0.00 H new ATOM 0 HE2 MET A 28 -5.361 -8.816 12.018 1.00 0.00 H new ATOM 0 HE3 MET A 28 -6.960 -9.109 11.293 1.00 0.00 H new ATOM 400 N GLY A 29 -2.294 -5.100 6.569 1.00 0.00 N ATOM 401 CA GLY A 29 -1.091 -4.824 5.806 1.00 0.00 C ATOM 402 C GLY A 29 -0.043 -4.093 6.621 1.00 0.00 C ATOM 403 O GLY A 29 -0.297 -3.692 7.757 1.00 0.00 O ATOM 0 H GLY A 29 -3.030 -4.399 6.477 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -0.673 -5.762 5.440 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -1.348 -4.227 4.931 1.00 0.00 H new ATOM 407 N PHE A 30 1.140 -3.919 6.040 1.00 0.00 N ATOM 408 CA PHE A 30 2.232 -3.233 6.721 1.00 0.00 C ATOM 409 C PHE A 30 2.466 -1.851 6.119 1.00 0.00 C ATOM 410 O PHE A 30 3.052 -1.720 5.043 1.00 0.00 O ATOM 411 CB PHE A 30 3.515 -4.063 6.636 1.00 0.00 C ATOM 412 CG PHE A 30 3.599 -5.145 7.675 1.00 0.00 C ATOM 413 CD1 PHE A 30 3.077 -6.404 7.426 1.00 0.00 C ATOM 414 CD2 PHE A 30 4.200 -4.903 8.900 1.00 0.00 C ATOM 415 CE1 PHE A 30 3.153 -7.402 8.379 1.00 0.00 C ATOM 416 CE2 PHE A 30 4.279 -5.897 9.856 1.00 0.00 C ATOM 417 CZ PHE A 30 3.754 -7.148 9.596 1.00 0.00 C ATOM 0 H PHE A 30 1.367 -4.243 5.100 1.00 0.00 H new ATOM 0 HA PHE A 30 1.955 -3.111 7.768 1.00 0.00 H new ATOM 0 HB2 PHE A 30 3.581 -4.515 5.646 1.00 0.00 H new ATOM 0 HB3 PHE A 30 4.374 -3.401 6.742 1.00 0.00 H new ATOM 0 HD1 PHE A 30 2.605 -6.608 6.476 1.00 0.00 H new ATOM 0 HD2 PHE A 30 4.611 -3.927 9.110 1.00 0.00 H new ATOM 0 HE1 PHE A 30 2.743 -8.379 8.172 1.00 0.00 H new ATOM 0 HE2 PHE A 30 4.751 -5.696 10.806 1.00 0.00 H new ATOM 0 HZ PHE A 30 3.813 -7.926 10.343 1.00 0.00 H new ATOM 427 N LYS A 31 2.004 -0.821 6.819 1.00 0.00 N ATOM 428 CA LYS A 31 2.162 0.553 6.356 1.00 0.00 C ATOM 429 C LYS A 31 3.506 1.124 6.798 1.00 0.00 C ATOM 430 O LYS A 31 3.814 1.162 7.989 1.00 0.00 O ATOM 431 CB LYS A 31 1.024 1.426 6.888 1.00 0.00 C ATOM 432 CG LYS A 31 1.068 2.857 6.381 1.00 0.00 C ATOM 433 CD LYS A 31 0.400 3.814 7.355 1.00 0.00 C ATOM 434 CE LYS A 31 1.001 5.209 7.265 1.00 0.00 C ATOM 435 NZ LYS A 31 2.310 5.295 7.969 1.00 0.00 N ATOM 0 H LYS A 31 1.516 -0.912 7.710 1.00 0.00 H new ATOM 0 HA LYS A 31 2.129 0.550 5.266 1.00 0.00 H new ATOM 0 HB2 LYS A 31 0.071 0.978 6.605 1.00 0.00 H new ATOM 0 HB3 LYS A 31 1.062 1.434 7.977 1.00 0.00 H new ATOM 0 HG2 LYS A 31 2.104 3.158 6.227 1.00 0.00 H new ATOM 0 HG3 LYS A 31 0.571 2.916 5.413 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -0.668 3.862 7.144 1.00 0.00 H new ATOM 0 HD3 LYS A 31 0.508 3.435 8.371 1.00 0.00 H new ATOM 0 HE2 LYS A 31 1.133 5.481 6.218 1.00 0.00 H new ATOM 0 HE3 LYS A 31 0.308 5.931 7.697 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 2.493 6.282 8.243 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 2.286 4.698 8.820 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 3.067 4.965 7.336 1.00 0.00 H new ATOM 449 N CYS A 32 4.301 1.570 5.831 1.00 0.00 N ATOM 450 CA CYS A 32 5.610 2.141 6.119 1.00 0.00 C ATOM 451 C CYS A 32 5.491 3.617 6.489 1.00 0.00 C ATOM 452 O CYS A 32 4.523 4.284 6.123 1.00 0.00 O ATOM 453 CB CYS A 32 6.538 1.979 4.913 1.00 0.00 C ATOM 454 SG CYS A 32 8.139 2.830 5.087 1.00 0.00 S ATOM 0 H CYS A 32 4.060 1.547 4.840 1.00 0.00 H new ATOM 0 HA CYS A 32 6.033 1.605 6.969 1.00 0.00 H new ATOM 0 HB2 CYS A 32 6.719 0.917 4.748 1.00 0.00 H new ATOM 0 HB3 CYS A 32 6.032 2.358 4.025 1.00 0.00 H new ATOM 459 N LYS A 33 6.482 4.121 7.217 1.00 0.00 N ATOM 460 CA LYS A 33 6.490 5.517 7.635 1.00 0.00 C ATOM 461 C LYS A 33 6.280 6.444 6.442 1.00 0.00 C ATOM 462 O LYS A 33 5.748 7.546 6.585 1.00 0.00 O ATOM 463 CB LYS A 33 7.812 5.855 8.330 1.00 0.00 C ATOM 464 CG LYS A 33 7.853 5.441 9.791 1.00 0.00 C ATOM 465 CD LYS A 33 7.249 6.507 10.690 1.00 0.00 C ATOM 466 CE LYS A 33 5.729 6.467 10.656 1.00 0.00 C ATOM 467 NZ LYS A 33 5.133 6.929 11.941 1.00 0.00 N ATOM 0 H LYS A 33 7.290 3.583 7.530 1.00 0.00 H new ATOM 0 HA LYS A 33 5.669 5.665 8.336 1.00 0.00 H new ATOM 0 HB2 LYS A 33 8.628 5.365 7.799 1.00 0.00 H new ATOM 0 HB3 LYS A 33 7.986 6.929 8.260 1.00 0.00 H new ATOM 0 HG2 LYS A 33 7.310 4.505 9.920 1.00 0.00 H new ATOM 0 HG3 LYS A 33 8.885 5.255 10.089 1.00 0.00 H new ATOM 0 HD2 LYS A 33 7.595 6.361 11.713 1.00 0.00 H new ATOM 0 HD3 LYS A 33 7.596 7.491 10.374 1.00 0.00 H new ATOM 0 HE2 LYS A 33 5.367 7.095 9.842 1.00 0.00 H new ATOM 0 HE3 LYS A 33 5.397 5.450 10.446 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 4.096 6.887 11.878 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 5.458 6.315 12.715 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 5.429 7.908 12.129 1.00 0.00 H new ATOM 481 N CYS A 34 6.700 5.992 5.266 1.00 0.00 N ATOM 482 CA CYS A 34 6.557 6.779 4.047 1.00 0.00 C ATOM 483 C CYS A 34 5.085 7.015 3.721 1.00 0.00 C ATOM 484 O CYS A 34 4.713 8.069 3.207 1.00 0.00 O ATOM 485 CB CYS A 34 7.244 6.074 2.876 1.00 0.00 C ATOM 486 SG CYS A 34 6.514 4.462 2.447 1.00 0.00 S ATOM 0 H CYS A 34 7.143 5.083 5.131 1.00 0.00 H new ATOM 0 HA CYS A 34 7.034 7.745 4.210 1.00 0.00 H new ATOM 0 HB2 CYS A 34 7.204 6.723 2.001 1.00 0.00 H new ATOM 0 HB3 CYS A 34 8.297 5.931 3.119 1.00 0.00 H new ATOM 491 N GLY A 35 4.252 6.024 4.025 1.00 0.00 N ATOM 492 CA GLY A 35 2.830 6.143 3.758 1.00 0.00 C ATOM 493 C GLY A 35 2.360 5.182 2.683 1.00 0.00 C ATOM 494 O GLY A 35 1.402 5.465 1.965 1.00 0.00 O ATOM 0 H GLY A 35 4.536 5.142 4.451 1.00 0.00 H new ATOM 0 HA2 GLY A 35 2.274 5.956 4.677 1.00 0.00 H new ATOM 0 HA3 GLY A 35 2.605 7.165 3.452 1.00 0.00 H new ATOM 498 N SER A 36 3.038 4.044 2.571 1.00 0.00 N ATOM 499 CA SER A 36 2.688 3.041 1.573 1.00 0.00 C ATOM 500 C SER A 36 2.270 1.734 2.239 1.00 0.00 C ATOM 501 O SER A 36 2.754 1.390 3.318 1.00 0.00 O ATOM 502 CB SER A 36 3.869 2.792 0.633 1.00 0.00 C ATOM 503 OG SER A 36 4.465 4.013 0.229 1.00 0.00 O ATOM 0 H SER A 36 3.833 3.794 3.159 1.00 0.00 H new ATOM 0 HA SER A 36 1.845 3.419 0.994 1.00 0.00 H new ATOM 0 HB2 SER A 36 4.611 2.169 1.133 1.00 0.00 H new ATOM 0 HB3 SER A 36 3.530 2.241 -0.244 1.00 0.00 H new ATOM 0 HG SER A 36 4.919 4.424 0.994 1.00 0.00 H new ATOM 509 N THR A 37 1.366 1.007 1.589 1.00 0.00 N ATOM 510 CA THR A 37 0.881 -0.261 2.117 1.00 0.00 C ATOM 511 C THR A 37 1.573 -1.439 1.441 1.00 0.00 C ATOM 512 O THR A 37 1.798 -1.429 0.231 1.00 0.00 O ATOM 513 CB THR A 37 -0.642 -0.401 1.933 1.00 0.00 C ATOM 514 OG1 THR A 37 -1.299 0.796 2.363 1.00 0.00 O ATOM 515 CG2 THR A 37 -1.175 -1.589 2.719 1.00 0.00 C ATOM 0 H THR A 37 0.955 1.276 0.695 1.00 0.00 H new ATOM 0 HA THR A 37 1.113 -0.269 3.182 1.00 0.00 H new ATOM 0 HB THR A 37 -0.845 -0.566 0.875 1.00 0.00 H new ATOM 0 HG1 THR A 37 -2.242 0.766 2.097 1.00 0.00 H new ATOM 0 HG21 THR A 37 -2.252 -1.668 2.574 1.00 0.00 H new ATOM 0 HG22 THR A 37 -0.694 -2.502 2.369 1.00 0.00 H new ATOM 0 HG23 THR A 37 -0.961 -1.450 3.779 1.00 0.00 H new ATOM 523 N PHE A 38 1.909 -2.455 2.230 1.00 0.00 N ATOM 524 CA PHE A 38 2.576 -3.641 1.707 1.00 0.00 C ATOM 525 C PHE A 38 1.971 -4.911 2.298 1.00 0.00 C ATOM 526 O PHE A 38 1.236 -4.861 3.285 1.00 0.00 O ATOM 527 CB PHE A 38 4.074 -3.586 2.014 1.00 0.00 C ATOM 528 CG PHE A 38 4.721 -2.291 1.615 1.00 0.00 C ATOM 529 CD1 PHE A 38 5.094 -2.063 0.300 1.00 0.00 C ATOM 530 CD2 PHE A 38 4.957 -1.300 2.555 1.00 0.00 C ATOM 531 CE1 PHE A 38 5.689 -0.872 -0.071 1.00 0.00 C ATOM 532 CE2 PHE A 38 5.551 -0.107 2.190 1.00 0.00 C ATOM 533 CZ PHE A 38 5.918 0.107 0.876 1.00 0.00 C ATOM 0 H PHE A 38 1.730 -2.480 3.234 1.00 0.00 H new ATOM 0 HA PHE A 38 2.433 -3.661 0.627 1.00 0.00 H new ATOM 0 HB2 PHE A 38 4.224 -3.744 3.082 1.00 0.00 H new ATOM 0 HB3 PHE A 38 4.573 -4.406 1.498 1.00 0.00 H new ATOM 0 HD1 PHE A 38 4.918 -2.825 -0.444 1.00 0.00 H new ATOM 0 HD2 PHE A 38 4.673 -1.462 3.584 1.00 0.00 H new ATOM 0 HE1 PHE A 38 5.974 -0.707 -1.099 1.00 0.00 H new ATOM 0 HE2 PHE A 38 5.728 0.658 2.932 1.00 0.00 H new ATOM 0 HZ PHE A 38 6.383 1.038 0.589 1.00 0.00 H new ATOM 543 N CYS A 39 2.284 -6.048 1.687 1.00 0.00 N ATOM 544 CA CYS A 39 1.771 -7.332 2.150 1.00 0.00 C ATOM 545 C CYS A 39 2.774 -8.017 3.074 1.00 0.00 C ATOM 546 O CYS A 39 2.874 -9.243 3.099 1.00 0.00 O ATOM 547 CB CYS A 39 1.456 -8.239 0.959 1.00 0.00 C ATOM 548 SG CYS A 39 2.930 -8.843 0.075 1.00 0.00 S ATOM 0 H CYS A 39 2.891 -6.107 0.869 1.00 0.00 H new ATOM 0 HA CYS A 39 0.854 -7.148 2.710 1.00 0.00 H new ATOM 0 HB2 CYS A 39 0.880 -9.095 1.310 1.00 0.00 H new ATOM 0 HB3 CYS A 39 0.823 -7.694 0.258 1.00 0.00 H new ATOM 553 N GLY A 40 3.515 -7.215 3.833 1.00 0.00 N ATOM 554 CA GLY A 40 4.499 -7.761 4.749 1.00 0.00 C ATOM 555 C GLY A 40 5.789 -8.145 4.051 1.00 0.00 C ATOM 556 O GLY A 40 6.876 -7.768 4.489 1.00 0.00 O ATOM 0 H GLY A 40 3.451 -6.197 3.830 1.00 0.00 H new ATOM 0 HA2 GLY A 40 4.714 -7.028 5.526 1.00 0.00 H new ATOM 0 HA3 GLY A 40 4.083 -8.638 5.245 1.00 0.00 H new ATOM 560 N SER A 41 5.670 -8.898 2.962 1.00 0.00 N ATOM 561 CA SER A 41 6.836 -9.338 2.205 1.00 0.00 C ATOM 562 C SER A 41 7.533 -8.154 1.543 1.00 0.00 C ATOM 563 O SER A 41 8.734 -8.226 1.289 1.00 0.00 O ATOM 564 CB SER A 41 6.425 -10.361 1.144 1.00 0.00 C ATOM 565 OG SER A 41 5.853 -11.513 1.740 1.00 0.00 O ATOM 0 H SER A 41 4.778 -9.216 2.584 1.00 0.00 H new ATOM 0 HA SER A 41 7.534 -9.806 2.900 1.00 0.00 H new ATOM 0 HB2 SER A 41 5.709 -9.910 0.457 1.00 0.00 H new ATOM 0 HB3 SER A 41 7.296 -10.647 0.554 1.00 0.00 H new ATOM 0 HG SER A 41 5.597 -12.150 1.041 1.00 0.00 H new ATOM 571 N HIS A 42 6.772 -7.101 1.282 1.00 0.00 N ATOM 572 CA HIS A 42 7.327 -5.914 0.652 1.00 0.00 C ATOM 573 C HIS A 42 7.236 -4.731 1.618 1.00 0.00 C ATOM 574 O HIS A 42 7.293 -3.565 1.228 1.00 0.00 O ATOM 575 CB HIS A 42 6.642 -5.640 -0.688 1.00 0.00 C ATOM 576 CG HIS A 42 6.614 -6.828 -1.619 1.00 0.00 C ATOM 577 ND1 HIS A 42 5.475 -7.223 -2.297 1.00 0.00 N ATOM 578 CD2 HIS A 42 7.598 -7.703 -1.977 1.00 0.00 C ATOM 579 CE1 HIS A 42 5.770 -8.289 -3.027 1.00 0.00 C ATOM 580 NE2 HIS A 42 7.086 -8.585 -2.826 1.00 0.00 N ATOM 0 H HIS A 42 5.776 -7.045 1.495 1.00 0.00 H new ATOM 0 HA HIS A 42 8.382 -6.075 0.428 1.00 0.00 H new ATOM 0 HB2 HIS A 42 5.619 -5.314 -0.501 1.00 0.00 H new ATOM 0 HB3 HIS A 42 7.154 -4.815 -1.184 1.00 0.00 H new ATOM 0 HD2 HIS A 42 8.620 -7.681 -1.629 1.00 0.00 H new ATOM 0 HE1 HIS A 42 5.088 -8.828 -3.668 1.00 0.00 H new ATOM 0 HE2 HIS A 42 7.593 -9.358 -3.257 1.00 0.00 H new ATOM 588 N ARG A 43 7.092 -5.060 2.898 1.00 0.00 N ATOM 589 CA ARG A 43 6.990 -4.047 3.941 1.00 0.00 C ATOM 590 C ARG A 43 8.310 -3.300 4.105 1.00 0.00 C ATOM 591 O ARG A 43 8.345 -2.189 4.635 1.00 0.00 O ATOM 592 CB ARG A 43 6.587 -4.690 5.269 1.00 0.00 C ATOM 593 CG ARG A 43 7.703 -5.490 5.921 1.00 0.00 C ATOM 594 CD ARG A 43 7.177 -6.357 7.055 1.00 0.00 C ATOM 595 NE ARG A 43 8.213 -6.657 8.040 1.00 0.00 N ATOM 596 CZ ARG A 43 8.547 -5.834 9.028 1.00 0.00 C ATOM 597 NH1 ARG A 43 7.931 -4.668 9.161 1.00 0.00 N ATOM 598 NH2 ARG A 43 9.500 -6.178 9.885 1.00 0.00 N ATOM 0 H ARG A 43 7.043 -6.021 3.237 1.00 0.00 H new ATOM 0 HA ARG A 43 6.223 -3.332 3.644 1.00 0.00 H new ATOM 0 HB2 ARG A 43 6.261 -3.910 5.957 1.00 0.00 H new ATOM 0 HB3 ARG A 43 5.732 -5.345 5.101 1.00 0.00 H new ATOM 0 HG2 ARG A 43 8.185 -6.120 5.174 1.00 0.00 H new ATOM 0 HG3 ARG A 43 8.464 -4.810 6.304 1.00 0.00 H new ATOM 0 HD2 ARG A 43 6.347 -5.848 7.545 1.00 0.00 H new ATOM 0 HD3 ARG A 43 6.784 -7.288 6.647 1.00 0.00 H new ATOM 0 HE ARG A 43 8.707 -7.546 7.965 1.00 0.00 H new ATOM 0 HH11 ARG A 43 7.198 -4.400 8.504 1.00 0.00 H new ATOM 0 HH12 ARG A 43 8.190 -4.038 9.921 1.00 0.00 H new ATOM 0 HH21 ARG A 43 9.976 -7.074 9.785 1.00 0.00 H new ATOM 0 HH22 ARG A 43 9.756 -5.546 10.643 1.00 0.00 H new ATOM 612 N TYR A 44 9.394 -3.917 3.647 1.00 0.00 N ATOM 613 CA TYR A 44 10.717 -3.313 3.745 1.00 0.00 C ATOM 614 C TYR A 44 10.855 -2.143 2.775 1.00 0.00 C ATOM 615 O TYR A 44 10.206 -2.090 1.731 1.00 0.00 O ATOM 616 CB TYR A 44 11.799 -4.356 3.462 1.00 0.00 C ATOM 617 CG TYR A 44 11.610 -5.648 4.224 1.00 0.00 C ATOM 618 CD1 TYR A 44 10.839 -6.679 3.702 1.00 0.00 C ATOM 619 CD2 TYR A 44 12.201 -5.837 5.467 1.00 0.00 C ATOM 620 CE1 TYR A 44 10.662 -7.861 4.395 1.00 0.00 C ATOM 621 CE2 TYR A 44 12.031 -7.016 6.167 1.00 0.00 C ATOM 622 CZ TYR A 44 11.261 -8.025 5.627 1.00 0.00 C ATOM 623 OH TYR A 44 11.088 -9.200 6.321 1.00 0.00 O ATOM 0 H TYR A 44 9.382 -4.836 3.204 1.00 0.00 H new ATOM 0 HA TYR A 44 10.842 -2.936 4.760 1.00 0.00 H new ATOM 0 HB2 TYR A 44 11.812 -4.573 2.394 1.00 0.00 H new ATOM 0 HB3 TYR A 44 12.772 -3.935 3.714 1.00 0.00 H new ATOM 0 HD1 TYR A 44 10.370 -6.554 2.737 1.00 0.00 H new ATOM 0 HD2 TYR A 44 12.804 -5.049 5.893 1.00 0.00 H new ATOM 0 HE1 TYR A 44 10.058 -8.652 3.975 1.00 0.00 H new ATOM 0 HE2 TYR A 44 12.498 -7.147 7.132 1.00 0.00 H new ATOM 0 HH TYR A 44 11.577 -9.154 7.169 1.00 0.00 H new ATOM 633 N PRO A 45 11.723 -1.183 3.128 1.00 0.00 N ATOM 634 CA PRO A 45 11.969 0.003 2.303 1.00 0.00 C ATOM 635 C PRO A 45 12.712 -0.331 1.014 1.00 0.00 C ATOM 636 O PRO A 45 12.356 0.151 -0.060 1.00 0.00 O ATOM 637 CB PRO A 45 12.833 0.889 3.204 1.00 0.00 C ATOM 638 CG PRO A 45 13.506 -0.060 4.135 1.00 0.00 C ATOM 639 CD PRO A 45 12.530 -1.182 4.360 1.00 0.00 C ATOM 0 HA PRO A 45 11.041 0.475 1.981 1.00 0.00 H new ATOM 0 HB2 PRO A 45 13.560 1.456 2.622 1.00 0.00 H new ATOM 0 HB3 PRO A 45 12.226 1.613 3.747 1.00 0.00 H new ATOM 0 HG2 PRO A 45 14.437 -0.432 3.707 1.00 0.00 H new ATOM 0 HG3 PRO A 45 13.761 0.430 5.075 1.00 0.00 H new ATOM 0 HD2 PRO A 45 13.039 -2.134 4.508 1.00 0.00 H new ATOM 0 HD3 PRO A 45 11.915 -1.009 5.243 1.00 0.00 H new ATOM 647 N GLU A 46 13.746 -1.159 1.130 1.00 0.00 N ATOM 648 CA GLU A 46 14.539 -1.557 -0.027 1.00 0.00 C ATOM 649 C GLU A 46 13.672 -2.270 -1.061 1.00 0.00 C ATOM 650 O GLU A 46 14.005 -2.309 -2.246 1.00 0.00 O ATOM 651 CB GLU A 46 15.690 -2.467 0.404 1.00 0.00 C ATOM 652 CG GLU A 46 15.244 -3.862 0.810 1.00 0.00 C ATOM 653 CD GLU A 46 16.178 -4.502 1.819 1.00 0.00 C ATOM 654 OE1 GLU A 46 16.781 -3.761 2.622 1.00 0.00 O ATOM 655 OE2 GLU A 46 16.305 -5.744 1.805 1.00 0.00 O ATOM 0 H GLU A 46 14.054 -1.567 2.013 1.00 0.00 H new ATOM 0 HA GLU A 46 14.949 -0.655 -0.482 1.00 0.00 H new ATOM 0 HB2 GLU A 46 16.405 -2.547 -0.415 1.00 0.00 H new ATOM 0 HB3 GLU A 46 16.214 -2.004 1.240 1.00 0.00 H new ATOM 0 HG2 GLU A 46 14.240 -3.810 1.231 1.00 0.00 H new ATOM 0 HG3 GLU A 46 15.185 -4.493 -0.077 1.00 0.00 H new ATOM 662 N LYS A 47 12.559 -2.833 -0.605 1.00 0.00 N ATOM 663 CA LYS A 47 11.642 -3.544 -1.488 1.00 0.00 C ATOM 664 C LYS A 47 10.853 -2.568 -2.354 1.00 0.00 C ATOM 665 O LYS A 47 10.567 -2.883 -3.508 1.00 0.00 O ATOM 666 CB LYS A 47 10.681 -4.409 -0.670 1.00 0.00 C ATOM 667 CG LYS A 47 11.355 -5.581 0.022 1.00 0.00 C ATOM 668 CD LYS A 47 11.338 -6.827 -0.848 1.00 0.00 C ATOM 669 CE LYS A 47 12.620 -6.962 -1.654 1.00 0.00 C ATOM 670 NZ LYS A 47 12.389 -7.652 -2.954 1.00 0.00 N ATOM 0 H LYS A 47 12.269 -2.811 0.373 1.00 0.00 H new ATOM 0 HA LYS A 47 12.232 -4.186 -2.142 1.00 0.00 H new ATOM 0 HB2 LYS A 47 10.194 -3.786 0.080 1.00 0.00 H new ATOM 0 HB3 LYS A 47 9.898 -4.787 -1.327 1.00 0.00 H new ATOM 0 HG2 LYS A 47 12.385 -5.319 0.263 1.00 0.00 H new ATOM 0 HG3 LYS A 47 10.849 -5.788 0.965 1.00 0.00 H new ATOM 0 HD2 LYS A 47 11.207 -7.708 -0.220 1.00 0.00 H new ATOM 0 HD3 LYS A 47 10.484 -6.788 -1.524 1.00 0.00 H new ATOM 0 HE2 LYS A 47 13.039 -5.973 -1.838 1.00 0.00 H new ATOM 0 HE3 LYS A 47 13.357 -7.518 -1.074 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 13.287 -7.724 -3.473 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 12.013 -8.606 -2.779 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 11.705 -7.109 -3.519 1.00 0.00 H new ATOM 684 N HIS A 48 10.523 -1.417 -1.786 1.00 0.00 N ATOM 685 CA HIS A 48 9.773 -0.410 -2.517 1.00 0.00 C ATOM 686 C HIS A 48 10.603 0.870 -2.627 1.00 0.00 C ATOM 687 O HIS A 48 10.086 1.986 -2.610 1.00 0.00 O ATOM 688 CB HIS A 48 8.406 -0.176 -1.871 1.00 0.00 C ATOM 689 CG HIS A 48 8.470 0.518 -0.532 1.00 0.00 C ATOM 690 ND1 HIS A 48 8.556 -0.170 0.666 1.00 0.00 N ATOM 691 CD2 HIS A 48 8.462 1.845 -0.214 1.00 0.00 C ATOM 692 CE1 HIS A 48 8.596 0.713 1.654 1.00 0.00 C ATOM 693 NE2 HIS A 48 8.537 1.961 1.106 1.00 0.00 N ATOM 0 H HIS A 48 10.761 -1.160 -0.828 1.00 0.00 H new ATOM 0 HA HIS A 48 9.577 -0.762 -3.530 1.00 0.00 H new ATOM 0 HB2 HIS A 48 7.793 0.419 -2.548 1.00 0.00 H new ATOM 0 HB3 HIS A 48 7.905 -1.136 -1.747 1.00 0.00 H new ATOM 0 HD1 HIS A 48 8.584 -1.184 0.771 1.00 0.00 H new ATOM 0 HD2 HIS A 48 8.404 2.662 -0.917 1.00 0.00 H new ATOM 0 HE1 HIS A 48 8.663 0.485 2.707 1.00 0.00 H new ATOM 701 N GLU A 49 11.914 0.681 -2.742 1.00 0.00 N ATOM 702 CA GLU A 49 12.840 1.802 -2.856 1.00 0.00 C ATOM 703 C GLU A 49 12.335 3.007 -2.067 1.00 0.00 C ATOM 704 O GLU A 49 12.326 4.132 -2.568 1.00 0.00 O ATOM 705 CB GLU A 49 13.034 2.185 -4.325 1.00 0.00 C ATOM 706 CG GLU A 49 11.743 2.567 -5.030 1.00 0.00 C ATOM 707 CD GLU A 49 11.981 3.143 -6.412 1.00 0.00 C ATOM 708 OE1 GLU A 49 12.629 4.207 -6.508 1.00 0.00 O ATOM 709 OE2 GLU A 49 11.521 2.530 -7.397 1.00 0.00 O ATOM 0 H GLU A 49 12.358 -0.237 -2.759 1.00 0.00 H new ATOM 0 HA GLU A 49 13.798 1.492 -2.439 1.00 0.00 H new ATOM 0 HB2 GLU A 49 13.732 3.020 -4.385 1.00 0.00 H new ATOM 0 HB3 GLU A 49 13.492 1.348 -4.852 1.00 0.00 H new ATOM 0 HG2 GLU A 49 11.104 1.687 -5.112 1.00 0.00 H new ATOM 0 HG3 GLU A 49 11.205 3.296 -4.424 1.00 0.00 H new ATOM 716 N CYS A 50 11.915 2.763 -0.830 1.00 0.00 N ATOM 717 CA CYS A 50 11.408 3.825 0.029 1.00 0.00 C ATOM 718 C CYS A 50 12.334 5.038 -0.001 1.00 0.00 C ATOM 719 O CYS A 50 13.555 4.901 0.070 1.00 0.00 O ATOM 720 CB CYS A 50 11.257 3.320 1.465 1.00 0.00 C ATOM 721 SG CYS A 50 10.370 4.467 2.568 1.00 0.00 S ATOM 0 H CYS A 50 11.916 1.838 -0.400 1.00 0.00 H new ATOM 0 HA CYS A 50 10.431 4.127 -0.347 1.00 0.00 H new ATOM 0 HB2 CYS A 50 10.729 2.366 1.450 1.00 0.00 H new ATOM 0 HB3 CYS A 50 12.248 3.129 1.878 1.00 0.00 H new ATOM 726 N SER A 51 11.743 6.224 -0.105 1.00 0.00 N ATOM 727 CA SER A 51 12.515 7.461 -0.148 1.00 0.00 C ATOM 728 C SER A 51 12.877 7.924 1.260 1.00 0.00 C ATOM 729 O SER A 51 13.955 8.474 1.487 1.00 0.00 O ATOM 730 CB SER A 51 11.725 8.555 -0.869 1.00 0.00 C ATOM 731 OG SER A 51 11.356 8.142 -2.173 1.00 0.00 O ATOM 0 H SER A 51 10.733 6.355 -0.161 1.00 0.00 H new ATOM 0 HA SER A 51 13.437 7.267 -0.697 1.00 0.00 H new ATOM 0 HB2 SER A 51 10.831 8.801 -0.295 1.00 0.00 H new ATOM 0 HB3 SER A 51 12.325 9.463 -0.928 1.00 0.00 H new ATOM 0 HG SER A 51 10.851 8.858 -2.612 1.00 0.00 H new ATOM 737 N PHE A 52 11.969 7.696 2.203 1.00 0.00 N ATOM 738 CA PHE A 52 12.192 8.090 3.590 1.00 0.00 C ATOM 739 C PHE A 52 13.640 7.839 4.001 1.00 0.00 C ATOM 740 O PHE A 52 14.216 6.800 3.680 1.00 0.00 O ATOM 741 CB PHE A 52 11.247 7.324 4.518 1.00 0.00 C ATOM 742 CG PHE A 52 10.861 8.093 5.749 1.00 0.00 C ATOM 743 CD1 PHE A 52 11.819 8.463 6.679 1.00 0.00 C ATOM 744 CD2 PHE A 52 9.541 8.446 5.976 1.00 0.00 C ATOM 745 CE1 PHE A 52 11.468 9.172 7.812 1.00 0.00 C ATOM 746 CE2 PHE A 52 9.184 9.155 7.108 1.00 0.00 C ATOM 747 CZ PHE A 52 10.148 9.517 8.028 1.00 0.00 C ATOM 0 H PHE A 52 11.072 7.241 2.033 1.00 0.00 H new ATOM 0 HA PHE A 52 11.988 9.157 3.675 1.00 0.00 H new ATOM 0 HB2 PHE A 52 10.345 7.060 3.967 1.00 0.00 H new ATOM 0 HB3 PHE A 52 11.723 6.390 4.817 1.00 0.00 H new ATOM 0 HD1 PHE A 52 12.852 8.194 6.517 1.00 0.00 H new ATOM 0 HD2 PHE A 52 8.782 8.164 5.261 1.00 0.00 H new ATOM 0 HE1 PHE A 52 12.225 9.456 8.528 1.00 0.00 H new ATOM 0 HE2 PHE A 52 8.151 9.426 7.273 1.00 0.00 H new ATOM 0 HZ PHE A 52 9.871 10.068 8.914 1.00 0.00 H new ATOM 757 N ASP A 53 14.221 8.799 4.711 1.00 0.00 N ATOM 758 CA ASP A 53 15.602 8.684 5.167 1.00 0.00 C ATOM 759 C ASP A 53 15.671 8.668 6.691 1.00 0.00 C ATOM 760 O ASP A 53 15.934 9.693 7.321 1.00 0.00 O ATOM 761 CB ASP A 53 16.441 9.839 4.617 1.00 0.00 C ATOM 762 CG ASP A 53 15.618 11.089 4.377 1.00 0.00 C ATOM 763 OD1 ASP A 53 14.814 11.448 5.262 1.00 0.00 O ATOM 764 OD2 ASP A 53 15.778 11.708 3.304 1.00 0.00 O ATOM 0 H ASP A 53 13.758 9.666 4.984 1.00 0.00 H new ATOM 0 HA ASP A 53 16.005 7.743 4.793 1.00 0.00 H new ATOM 0 HB2 ASP A 53 17.245 10.066 5.317 1.00 0.00 H new ATOM 0 HB3 ASP A 53 16.910 9.531 3.682 1.00 0.00 H new ATOM 769 N PHE A 54 15.433 7.500 7.277 1.00 0.00 N ATOM 770 CA PHE A 54 15.466 7.351 8.727 1.00 0.00 C ATOM 771 C PHE A 54 16.844 7.705 9.278 1.00 0.00 C ATOM 772 O PHE A 54 16.962 8.401 10.287 1.00 0.00 O ATOM 773 CB PHE A 54 15.098 5.920 9.123 1.00 0.00 C ATOM 774 CG PHE A 54 13.952 5.355 8.333 1.00 0.00 C ATOM 775 CD1 PHE A 54 12.669 5.850 8.499 1.00 0.00 C ATOM 776 CD2 PHE A 54 14.159 4.330 7.424 1.00 0.00 C ATOM 777 CE1 PHE A 54 11.612 5.332 7.774 1.00 0.00 C ATOM 778 CE2 PHE A 54 13.106 3.808 6.696 1.00 0.00 C ATOM 779 CZ PHE A 54 11.832 4.310 6.870 1.00 0.00 C ATOM 0 H PHE A 54 15.215 6.642 6.770 1.00 0.00 H new ATOM 0 HA PHE A 54 14.735 8.038 9.155 1.00 0.00 H new ATOM 0 HB2 PHE A 54 15.970 5.280 8.992 1.00 0.00 H new ATOM 0 HB3 PHE A 54 14.844 5.899 10.183 1.00 0.00 H new ATOM 0 HD1 PHE A 54 12.492 6.650 9.203 1.00 0.00 H new ATOM 0 HD2 PHE A 54 15.154 3.934 7.283 1.00 0.00 H new ATOM 0 HE1 PHE A 54 10.616 5.725 7.914 1.00 0.00 H new ATOM 0 HE2 PHE A 54 13.280 3.008 5.992 1.00 0.00 H new ATOM 0 HZ PHE A 54 11.009 3.905 6.301 1.00 0.00 H new ATOM 789 N LYS A 55 17.885 7.221 8.609 1.00 0.00 N ATOM 790 CA LYS A 55 19.256 7.485 9.030 1.00 0.00 C ATOM 791 C LYS A 55 19.680 8.898 8.644 1.00 0.00 C ATOM 792 O LYS A 55 19.551 9.301 7.489 1.00 0.00 O ATOM 793 CB LYS A 55 20.209 6.465 8.402 1.00 0.00 C ATOM 794 CG LYS A 55 20.216 6.495 6.883 1.00 0.00 C ATOM 795 CD LYS A 55 20.528 5.127 6.300 1.00 0.00 C ATOM 796 CE LYS A 55 19.262 4.314 6.077 1.00 0.00 C ATOM 797 NZ LYS A 55 19.564 2.936 5.601 1.00 0.00 N ATOM 0 H LYS A 55 17.805 6.643 7.772 1.00 0.00 H new ATOM 0 HA LYS A 55 19.301 7.395 10.115 1.00 0.00 H new ATOM 0 HB2 LYS A 55 21.219 6.652 8.766 1.00 0.00 H new ATOM 0 HB3 LYS A 55 19.930 5.466 8.736 1.00 0.00 H new ATOM 0 HG2 LYS A 55 19.245 6.833 6.520 1.00 0.00 H new ATOM 0 HG3 LYS A 55 20.955 7.217 6.536 1.00 0.00 H new ATOM 0 HD2 LYS A 55 21.057 5.245 5.354 1.00 0.00 H new ATOM 0 HD3 LYS A 55 21.195 4.587 6.973 1.00 0.00 H new ATOM 0 HE2 LYS A 55 18.696 4.261 7.007 1.00 0.00 H new ATOM 0 HE3 LYS A 55 18.630 4.820 5.347 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 18.675 2.414 5.461 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 20.082 2.985 4.700 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 20.146 2.444 6.309 1.00 0.00 H new ATOM 811 N GLU A 56 20.188 9.645 9.619 1.00 0.00 N ATOM 812 CA GLU A 56 20.632 11.013 9.380 1.00 0.00 C ATOM 813 C GLU A 56 21.678 11.060 8.270 1.00 0.00 C ATOM 814 O GLU A 56 22.849 10.749 8.492 1.00 0.00 O ATOM 815 CB GLU A 56 21.206 11.618 10.663 1.00 0.00 C ATOM 816 CG GLU A 56 22.260 10.748 11.328 1.00 0.00 C ATOM 817 CD GLU A 56 22.644 11.248 12.707 1.00 0.00 C ATOM 818 OE1 GLU A 56 22.689 12.481 12.901 1.00 0.00 O ATOM 819 OE2 GLU A 56 22.899 10.406 13.593 1.00 0.00 O ATOM 0 H GLU A 56 20.302 9.326 10.581 1.00 0.00 H new ATOM 0 HA GLU A 56 19.768 11.598 9.066 1.00 0.00 H new ATOM 0 HB2 GLU A 56 21.642 12.590 10.433 1.00 0.00 H new ATOM 0 HB3 GLU A 56 20.393 11.792 11.368 1.00 0.00 H new ATOM 0 HG2 GLU A 56 21.886 9.727 11.407 1.00 0.00 H new ATOM 0 HG3 GLU A 56 23.148 10.714 10.697 1.00 0.00 H new ATOM 826 N VAL A 57 21.248 11.450 7.075 1.00 0.00 N ATOM 827 CA VAL A 57 22.146 11.538 5.930 1.00 0.00 C ATOM 828 C VAL A 57 22.357 12.987 5.507 1.00 0.00 C ATOM 829 O VAL A 57 21.435 13.800 5.557 1.00 0.00 O ATOM 830 CB VAL A 57 21.605 10.738 4.729 1.00 0.00 C ATOM 831 CG1 VAL A 57 22.527 10.888 3.529 1.00 0.00 C ATOM 832 CG2 VAL A 57 21.432 9.273 5.100 1.00 0.00 C ATOM 0 H VAL A 57 20.282 11.710 6.874 1.00 0.00 H new ATOM 0 HA VAL A 57 23.099 11.111 6.242 1.00 0.00 H new ATOM 0 HB VAL A 57 20.628 11.138 4.458 1.00 0.00 H new ATOM 0 HG11 VAL A 57 22.129 10.316 2.691 1.00 0.00 H new ATOM 0 HG12 VAL A 57 22.595 11.940 3.251 1.00 0.00 H new ATOM 0 HG13 VAL A 57 23.519 10.515 3.784 1.00 0.00 H new ATOM 0 HG21 VAL A 57 21.049 8.723 4.240 1.00 0.00 H new ATOM 0 HG22 VAL A 57 22.394 8.857 5.398 1.00 0.00 H new ATOM 0 HG23 VAL A 57 20.728 9.188 5.928 1.00 0.00 H new ATOM 842 N GLY A 58 23.580 13.304 5.091 1.00 0.00 N ATOM 843 CA GLY A 58 23.891 14.656 4.665 1.00 0.00 C ATOM 844 C GLY A 58 24.833 15.363 5.619 1.00 0.00 C ATOM 845 O GLY A 58 26.052 15.283 5.471 1.00 0.00 O ATOM 0 H GLY A 58 24.360 12.649 5.042 1.00 0.00 H new ATOM 0 HA2 GLY A 58 24.339 14.626 3.672 1.00 0.00 H new ATOM 0 HA3 GLY A 58 22.967 15.228 4.581 1.00 0.00 H new ATOM 849 N SER A 59 24.267 16.057 6.601 1.00 0.00 N ATOM 850 CA SER A 59 25.065 16.785 7.581 1.00 0.00 C ATOM 851 C SER A 59 25.896 15.825 8.426 1.00 0.00 C ATOM 852 O SER A 59 25.386 14.830 8.939 1.00 0.00 O ATOM 853 CB SER A 59 24.160 17.625 8.484 1.00 0.00 C ATOM 854 OG SER A 59 23.345 16.800 9.298 1.00 0.00 O ATOM 0 H SER A 59 23.259 16.131 6.739 1.00 0.00 H new ATOM 0 HA SER A 59 25.743 17.447 7.042 1.00 0.00 H new ATOM 0 HB2 SER A 59 24.770 18.273 9.113 1.00 0.00 H new ATOM 0 HB3 SER A 59 23.532 18.273 7.873 1.00 0.00 H new ATOM 0 HG SER A 59 23.816 15.963 9.491 1.00 0.00 H new ATOM 860 N GLY A 60 27.182 16.131 8.566 1.00 0.00 N ATOM 861 CA GLY A 60 28.065 15.287 9.350 1.00 0.00 C ATOM 862 C GLY A 60 29.408 15.073 8.680 1.00 0.00 C ATOM 863 O GLY A 60 29.515 15.033 7.454 1.00 0.00 O ATOM 0 H GLY A 60 27.628 16.949 8.150 1.00 0.00 H new ATOM 0 HA2 GLY A 60 28.219 15.739 10.330 1.00 0.00 H new ATOM 0 HA3 GLY A 60 27.587 14.321 9.516 1.00 0.00 H new ATOM 867 N PRO A 61 30.464 14.933 9.494 1.00 0.00 N ATOM 868 CA PRO A 61 31.826 14.721 8.995 1.00 0.00 C ATOM 869 C PRO A 61 32.005 13.344 8.365 1.00 0.00 C ATOM 870 O PRO A 61 31.704 12.324 8.984 1.00 0.00 O ATOM 871 CB PRO A 61 32.689 14.850 10.252 1.00 0.00 C ATOM 872 CG PRO A 61 31.777 14.495 11.376 1.00 0.00 C ATOM 873 CD PRO A 61 30.411 14.970 10.965 1.00 0.00 C ATOM 0 HA PRO A 61 32.086 15.429 8.208 1.00 0.00 H new ATOM 0 HB2 PRO A 61 33.548 14.180 10.213 1.00 0.00 H new ATOM 0 HB3 PRO A 61 33.078 15.862 10.363 1.00 0.00 H new ATOM 0 HG2 PRO A 61 31.779 13.420 11.556 1.00 0.00 H new ATOM 0 HG3 PRO A 61 32.094 14.974 12.302 1.00 0.00 H new ATOM 0 HD2 PRO A 61 29.626 14.322 11.355 1.00 0.00 H new ATOM 0 HD3 PRO A 61 30.207 15.975 11.334 1.00 0.00 H new ATOM 881 N SER A 62 32.497 13.322 7.131 1.00 0.00 N ATOM 882 CA SER A 62 32.713 12.069 6.416 1.00 0.00 C ATOM 883 C SER A 62 34.149 11.584 6.591 1.00 0.00 C ATOM 884 O SER A 62 35.089 12.379 6.586 1.00 0.00 O ATOM 885 CB SER A 62 32.400 12.246 4.929 1.00 0.00 C ATOM 886 OG SER A 62 32.593 11.034 4.220 1.00 0.00 O ATOM 0 H SER A 62 32.754 14.157 6.605 1.00 0.00 H new ATOM 0 HA SER A 62 32.041 11.320 6.835 1.00 0.00 H new ATOM 0 HB2 SER A 62 31.370 12.582 4.808 1.00 0.00 H new ATOM 0 HB3 SER A 62 33.040 13.022 4.509 1.00 0.00 H new ATOM 0 HG SER A 62 32.385 11.173 3.272 1.00 0.00 H new ATOM 892 N SER A 63 34.310 10.274 6.744 1.00 0.00 N ATOM 893 CA SER A 63 35.630 9.682 6.925 1.00 0.00 C ATOM 894 C SER A 63 36.285 9.393 5.577 1.00 0.00 C ATOM 895 O SER A 63 35.644 9.484 4.531 1.00 0.00 O ATOM 896 CB SER A 63 35.527 8.392 7.741 1.00 0.00 C ATOM 897 OG SER A 63 36.724 8.145 8.458 1.00 0.00 O ATOM 0 H SER A 63 33.543 9.602 6.746 1.00 0.00 H new ATOM 0 HA SER A 63 36.250 10.397 7.466 1.00 0.00 H new ATOM 0 HB2 SER A 63 34.691 8.464 8.437 1.00 0.00 H new ATOM 0 HB3 SER A 63 35.318 7.554 7.077 1.00 0.00 H new ATOM 0 HG SER A 63 36.632 7.316 8.973 1.00 0.00 H new ATOM 903 N GLY A 64 37.568 9.045 5.612 1.00 0.00 N ATOM 904 CA GLY A 64 38.289 8.748 4.388 1.00 0.00 C ATOM 905 C GLY A 64 39.680 9.352 4.374 1.00 0.00 C ATOM 906 O GLY A 64 39.885 10.398 4.989 1.00 0.00 O ATOM 0 H GLY A 64 38.120 8.964 6.466 1.00 0.00 H new ATOM 0 HA2 GLY A 64 38.364 7.667 4.267 1.00 0.00 H new ATOM 0 HA3 GLY A 64 37.724 9.125 3.536 1.00 0.00 H new TER 910 GLY A 64 HETATM 911 ZN ZN A 200 3.673 -7.749 -1.747 1.00 0.00 ZN HETATM 912 ZN ZN A 400 8.435 3.148 2.775 1.00 0.00 ZN