USER MOD reduce.3.24.130724 H: found=0, std=0, add=441, rem=0, adj=18 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+ -121:sc= 0.0627 (180deg=0) USER MOD Single : A 2 SER OG : rot 56:sc= 0.739 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 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 15 ASN : amide:sc= 0 X(o=0,f=-0.19) USER MOD Single : A 16 ASN : amide:sc= 0.361 K(o=0.36,f=-0.39) USER MOD Single : A 20 SER OG : rot -140:sc= -0.0638 USER MOD Single : A 22 ASN : amide:sc=-0.00942 X(o=-0.0094,f=-0.46) USER MOD Single : A 23 LYS NZ :NH3+ 140:sc= 0.35 (180deg=0.00398) 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+ -155:sc= -0.153 (180deg=-0.645) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 SER OG : rot 89:sc= 1.37 USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 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+ -132:sc= -0.0257 (180deg=-0.571) 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 -0.259 27.795 -1.831 1.00 0.00 N ATOM 2 CA GLY A 1 1.023 28.020 -2.474 1.00 0.00 C ATOM 3 C GLY A 1 1.073 27.455 -3.879 1.00 0.00 C ATOM 4 O GLY A 1 0.040 27.128 -4.462 1.00 0.00 O ATOM 0 H1 GLY A 1 -0.680 28.709 -1.567 1.00 0.00 H new ATOM 0 H2 GLY A 1 -0.894 27.298 -2.487 1.00 0.00 H new ATOM 0 H3 GLY A 1 -0.122 27.217 -0.977 1.00 0.00 H new ATOM 0 HA2 GLY A 1 1.226 29.090 -2.509 1.00 0.00 H new ATOM 0 HA3 GLY A 1 1.812 27.565 -1.874 1.00 0.00 H new ATOM 8 N SER A 2 2.279 27.341 -4.426 1.00 0.00 N ATOM 9 CA SER A 2 2.461 26.817 -5.775 1.00 0.00 C ATOM 10 C SER A 2 2.096 25.337 -5.836 1.00 0.00 C ATOM 11 O SER A 2 2.946 24.468 -5.642 1.00 0.00 O ATOM 12 CB SER A 2 3.907 27.016 -6.233 1.00 0.00 C ATOM 13 OG SER A 2 4.813 26.374 -5.353 1.00 0.00 O ATOM 0 H SER A 2 3.145 27.604 -3.956 1.00 0.00 H new ATOM 0 HA SER A 2 1.798 27.366 -6.443 1.00 0.00 H new ATOM 0 HB2 SER A 2 4.031 26.619 -7.241 1.00 0.00 H new ATOM 0 HB3 SER A 2 4.134 28.081 -6.280 1.00 0.00 H new ATOM 0 HG SER A 2 4.579 25.425 -5.277 1.00 0.00 H new ATOM 19 N SER A 3 0.825 25.058 -6.107 1.00 0.00 N ATOM 20 CA SER A 3 0.345 23.683 -6.190 1.00 0.00 C ATOM 21 C SER A 3 -0.255 23.399 -7.564 1.00 0.00 C ATOM 22 O SER A 3 -0.960 24.233 -8.131 1.00 0.00 O ATOM 23 CB SER A 3 -0.697 23.418 -5.102 1.00 0.00 C ATOM 24 OG SER A 3 -0.077 23.170 -3.852 1.00 0.00 O ATOM 0 H SER A 3 0.109 25.765 -6.273 1.00 0.00 H new ATOM 0 HA SER A 3 1.195 23.018 -6.039 1.00 0.00 H new ATOM 0 HB2 SER A 3 -1.364 24.275 -5.017 1.00 0.00 H new ATOM 0 HB3 SER A 3 -1.311 22.563 -5.383 1.00 0.00 H new ATOM 0 HG SER A 3 -0.764 23.005 -3.173 1.00 0.00 H new ATOM 30 N GLY A 4 0.032 22.214 -8.095 1.00 0.00 N ATOM 31 CA GLY A 4 -0.486 21.840 -9.398 1.00 0.00 C ATOM 32 C GLY A 4 -1.660 20.886 -9.303 1.00 0.00 C ATOM 33 O GLY A 4 -2.199 20.660 -8.220 1.00 0.00 O ATOM 0 H GLY A 4 0.614 21.507 -7.646 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -0.794 22.738 -9.935 1.00 0.00 H new ATOM 0 HA3 GLY A 4 0.309 21.376 -9.982 1.00 0.00 H new ATOM 37 N SER A 5 -2.059 20.326 -10.441 1.00 0.00 N ATOM 38 CA SER A 5 -3.180 19.395 -10.483 1.00 0.00 C ATOM 39 C SER A 5 -2.736 17.990 -10.087 1.00 0.00 C ATOM 40 O SER A 5 -3.069 17.011 -10.755 1.00 0.00 O ATOM 41 CB SER A 5 -3.799 19.372 -11.882 1.00 0.00 C ATOM 42 OG SER A 5 -2.860 18.933 -12.848 1.00 0.00 O ATOM 0 H SER A 5 -1.622 20.501 -11.346 1.00 0.00 H new ATOM 0 HA SER A 5 -3.929 19.735 -9.768 1.00 0.00 H new ATOM 0 HB2 SER A 5 -4.667 18.713 -11.888 1.00 0.00 H new ATOM 0 HB3 SER A 5 -4.154 20.369 -12.142 1.00 0.00 H new ATOM 0 HG SER A 5 -3.281 18.926 -13.733 1.00 0.00 H new ATOM 48 N SER A 6 -1.981 17.900 -8.997 1.00 0.00 N ATOM 49 CA SER A 6 -1.486 16.616 -8.514 1.00 0.00 C ATOM 50 C SER A 6 -2.535 15.920 -7.652 1.00 0.00 C ATOM 51 O SER A 6 -2.783 14.724 -7.800 1.00 0.00 O ATOM 52 CB SER A 6 -0.198 16.811 -7.712 1.00 0.00 C ATOM 53 OG SER A 6 0.908 17.030 -8.570 1.00 0.00 O ATOM 0 H SER A 6 -1.699 18.701 -8.432 1.00 0.00 H new ATOM 0 HA SER A 6 -1.275 15.987 -9.379 1.00 0.00 H new ATOM 0 HB2 SER A 6 -0.311 17.659 -7.036 1.00 0.00 H new ATOM 0 HB3 SER A 6 -0.014 15.932 -7.094 1.00 0.00 H new ATOM 0 HG SER A 6 1.719 17.153 -8.034 1.00 0.00 H new ATOM 59 N GLY A 7 -3.148 16.679 -6.748 1.00 0.00 N ATOM 60 CA GLY A 7 -4.163 16.119 -5.875 1.00 0.00 C ATOM 61 C GLY A 7 -4.033 16.609 -4.446 1.00 0.00 C ATOM 62 O GLY A 7 -3.110 16.237 -3.722 1.00 0.00 O ATOM 0 H GLY A 7 -2.960 17.671 -6.605 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -5.150 16.379 -6.257 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -4.092 15.031 -5.891 1.00 0.00 H new ATOM 66 N PRO A 8 -4.974 17.465 -4.023 1.00 0.00 N ATOM 67 CA PRO A 8 -4.982 18.026 -2.668 1.00 0.00 C ATOM 68 C PRO A 8 -5.317 16.981 -1.610 1.00 0.00 C ATOM 69 O PRO A 8 -4.753 16.989 -0.516 1.00 0.00 O ATOM 70 CB PRO A 8 -6.078 19.093 -2.733 1.00 0.00 C ATOM 71 CG PRO A 8 -6.983 18.641 -3.826 1.00 0.00 C ATOM 72 CD PRO A 8 -6.104 17.951 -4.833 1.00 0.00 C ATOM 0 HA PRO A 8 -4.005 18.416 -2.382 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -6.611 19.172 -1.785 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -5.660 20.077 -2.946 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -7.747 17.963 -3.445 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -7.503 19.486 -4.276 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -6.626 17.132 -5.327 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -5.773 18.636 -5.614 1.00 0.00 H new ATOM 80 N SER A 9 -6.238 16.083 -1.943 1.00 0.00 N ATOM 81 CA SER A 9 -6.651 15.033 -1.019 1.00 0.00 C ATOM 82 C SER A 9 -7.245 13.848 -1.773 1.00 0.00 C ATOM 83 O SER A 9 -7.654 13.975 -2.928 1.00 0.00 O ATOM 84 CB SER A 9 -7.671 15.577 -0.017 1.00 0.00 C ATOM 85 OG SER A 9 -7.611 14.869 1.209 1.00 0.00 O ATOM 0 H SER A 9 -6.713 16.061 -2.846 1.00 0.00 H new ATOM 0 HA SER A 9 -5.768 14.692 -0.479 1.00 0.00 H new ATOM 0 HB2 SER A 9 -7.481 16.635 0.161 1.00 0.00 H new ATOM 0 HB3 SER A 9 -8.674 15.499 -0.436 1.00 0.00 H new ATOM 0 HG SER A 9 -8.272 15.237 1.832 1.00 0.00 H new ATOM 91 N ARG A 10 -7.289 12.695 -1.113 1.00 0.00 N ATOM 92 CA ARG A 10 -7.831 11.486 -1.721 1.00 0.00 C ATOM 93 C ARG A 10 -9.026 10.967 -0.925 1.00 0.00 C ATOM 94 O ARG A 10 -9.040 10.990 0.305 1.00 0.00 O ATOM 95 CB ARG A 10 -6.753 10.405 -1.806 1.00 0.00 C ATOM 96 CG ARG A 10 -5.526 10.829 -2.598 1.00 0.00 C ATOM 97 CD ARG A 10 -4.691 9.629 -3.017 1.00 0.00 C ATOM 98 NE ARG A 10 -3.840 9.929 -4.165 1.00 0.00 N ATOM 99 CZ ARG A 10 -3.386 9.005 -5.004 1.00 0.00 C ATOM 100 NH1 ARG A 10 -3.700 7.729 -4.824 1.00 0.00 N ATOM 101 NH2 ARG A 10 -2.616 9.356 -6.026 1.00 0.00 N ATOM 0 H ARG A 10 -6.956 12.573 -0.157 1.00 0.00 H new ATOM 0 HA ARG A 10 -8.166 11.734 -2.728 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -6.446 10.130 -0.797 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -7.180 9.513 -2.264 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -5.837 11.384 -3.483 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -4.918 11.504 -1.996 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -4.071 9.309 -2.180 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -5.350 8.796 -3.262 1.00 0.00 H new ATOM 0 HE ARG A 10 -3.580 10.901 -4.332 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -4.292 7.455 -4.040 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -3.350 7.022 -5.470 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -2.372 10.336 -6.168 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -2.268 8.646 -6.670 1.00 0.00 H new ATOM 115 N PRO A 11 -10.052 10.487 -1.644 1.00 0.00 N ATOM 116 CA PRO A 11 -11.269 9.953 -1.026 1.00 0.00 C ATOM 117 C PRO A 11 -11.024 8.629 -0.311 1.00 0.00 C ATOM 118 O PRO A 11 -9.881 8.267 -0.029 1.00 0.00 O ATOM 119 CB PRO A 11 -12.212 9.752 -2.216 1.00 0.00 C ATOM 120 CG PRO A 11 -11.309 9.575 -3.388 1.00 0.00 C ATOM 121 CD PRO A 11 -10.102 10.429 -3.114 1.00 0.00 C ATOM 0 HA PRO A 11 -11.663 10.620 -0.260 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -12.850 8.880 -2.073 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -12.870 10.611 -2.349 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -11.027 8.529 -3.509 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -11.802 9.881 -4.310 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -9.196 9.989 -3.530 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -10.204 11.422 -3.552 1.00 0.00 H new ATOM 129 N VAL A 12 -12.103 7.909 -0.022 1.00 0.00 N ATOM 130 CA VAL A 12 -12.004 6.623 0.659 1.00 0.00 C ATOM 131 C VAL A 12 -11.545 5.529 -0.297 1.00 0.00 C ATOM 132 O VAL A 12 -12.117 4.439 -0.331 1.00 0.00 O ATOM 133 CB VAL A 12 -13.352 6.213 1.282 1.00 0.00 C ATOM 134 CG1 VAL A 12 -13.754 7.191 2.376 1.00 0.00 C ATOM 135 CG2 VAL A 12 -14.429 6.126 0.211 1.00 0.00 C ATOM 0 H VAL A 12 -13.056 8.194 -0.249 1.00 0.00 H new ATOM 0 HA VAL A 12 -11.266 6.741 1.453 1.00 0.00 H new ATOM 0 HB VAL A 12 -13.240 5.227 1.733 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -14.709 6.885 2.804 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -12.992 7.198 3.155 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -13.850 8.191 1.953 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -15.375 5.835 0.669 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -14.542 7.097 -0.271 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -14.143 5.383 -0.533 1.00 0.00 H new ATOM 145 N ARG A 13 -10.508 5.826 -1.074 1.00 0.00 N ATOM 146 CA ARG A 13 -9.971 4.867 -2.032 1.00 0.00 C ATOM 147 C ARG A 13 -9.443 3.625 -1.321 1.00 0.00 C ATOM 148 O ARG A 13 -9.009 3.676 -0.170 1.00 0.00 O ATOM 149 CB ARG A 13 -8.855 5.509 -2.857 1.00 0.00 C ATOM 150 CG ARG A 13 -9.345 6.173 -4.134 1.00 0.00 C ATOM 151 CD ARG A 13 -8.290 6.124 -5.228 1.00 0.00 C ATOM 152 NE ARG A 13 -8.389 7.264 -6.135 1.00 0.00 N ATOM 153 CZ ARG A 13 -7.941 7.250 -7.385 1.00 0.00 C ATOM 154 NH1 ARG A 13 -7.366 6.160 -7.874 1.00 0.00 N ATOM 155 NH2 ARG A 13 -8.067 8.327 -8.149 1.00 0.00 N ATOM 0 H ARG A 13 -10.023 6.723 -1.059 1.00 0.00 H new ATOM 0 HA ARG A 13 -10.779 4.566 -2.699 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -8.344 6.252 -2.245 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -8.120 4.746 -3.113 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -10.252 5.676 -4.479 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -9.609 7.210 -3.928 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -7.299 6.106 -4.775 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -8.398 5.199 -5.795 1.00 0.00 H new ATOM 0 HE ARG A 13 -8.826 8.118 -5.789 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -7.267 5.330 -7.290 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -7.023 6.152 -8.834 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -8.509 9.168 -7.777 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -7.722 8.315 -9.109 1.00 0.00 H new ATOM 169 N PRO A 14 -9.481 2.481 -2.020 1.00 0.00 N ATOM 170 CA PRO A 14 -9.010 1.204 -1.475 1.00 0.00 C ATOM 171 C PRO A 14 -7.495 1.168 -1.311 1.00 0.00 C ATOM 172 O PRO A 14 -6.757 1.056 -2.289 1.00 0.00 O ATOM 173 CB PRO A 14 -9.458 0.184 -2.525 1.00 0.00 C ATOM 174 CG PRO A 14 -9.554 0.961 -3.792 1.00 0.00 C ATOM 175 CD PRO A 14 -9.986 2.346 -3.397 1.00 0.00 C ATOM 0 HA PRO A 14 -9.409 1.014 -0.478 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -8.741 -0.632 -2.615 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -10.417 -0.261 -2.260 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -8.595 0.984 -4.309 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -10.273 0.508 -4.474 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -9.562 3.103 -4.057 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -11.069 2.457 -3.440 1.00 0.00 H new ATOM 183 N ASN A 15 -7.037 1.262 -0.066 1.00 0.00 N ATOM 184 CA ASN A 15 -5.608 1.240 0.226 1.00 0.00 C ATOM 185 C ASN A 15 -5.120 -0.189 0.444 1.00 0.00 C ATOM 186 O ASN A 15 -3.949 -0.495 0.223 1.00 0.00 O ATOM 187 CB ASN A 15 -5.307 2.088 1.463 1.00 0.00 C ATOM 188 CG ASN A 15 -5.594 3.560 1.240 1.00 0.00 C ATOM 189 OD1 ASN A 15 -6.719 4.021 1.434 1.00 0.00 O ATOM 190 ND2 ASN A 15 -4.576 4.306 0.828 1.00 0.00 N ATOM 0 H ASN A 15 -7.634 1.354 0.756 1.00 0.00 H new ATOM 0 HA ASN A 15 -5.080 1.659 -0.631 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -5.904 1.727 2.301 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -4.260 1.963 1.740 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -4.710 5.303 0.660 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -3.660 3.882 0.680 1.00 0.00 H new ATOM 197 N ASN A 16 -6.026 -1.058 0.878 1.00 0.00 N ATOM 198 CA ASN A 16 -5.687 -2.455 1.126 1.00 0.00 C ATOM 199 C ASN A 16 -5.039 -3.084 -0.104 1.00 0.00 C ATOM 200 O ASN A 16 -5.716 -3.698 -0.929 1.00 0.00 O ATOM 201 CB ASN A 16 -6.939 -3.244 1.515 1.00 0.00 C ATOM 202 CG ASN A 16 -8.199 -2.673 0.893 1.00 0.00 C ATOM 203 OD1 ASN A 16 -9.053 -2.121 1.587 1.00 0.00 O ATOM 204 ND2 ASN A 16 -8.321 -2.805 -0.423 1.00 0.00 N ATOM 0 H ASN A 16 -7.000 -0.820 1.065 1.00 0.00 H new ATOM 0 HA ASN A 16 -4.973 -2.489 1.949 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -6.822 -4.282 1.204 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -7.041 -3.246 2.600 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -9.147 -2.442 -0.898 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -7.588 -3.270 -0.959 1.00 0.00 H new ATOM 211 N ARG A 17 -3.725 -2.927 -0.219 1.00 0.00 N ATOM 212 CA ARG A 17 -2.985 -3.479 -1.348 1.00 0.00 C ATOM 213 C ARG A 17 -1.482 -3.313 -1.145 1.00 0.00 C ATOM 214 O ARG A 17 -1.034 -2.399 -0.452 1.00 0.00 O ATOM 215 CB ARG A 17 -3.413 -2.796 -2.648 1.00 0.00 C ATOM 216 CG ARG A 17 -4.647 -3.417 -3.284 1.00 0.00 C ATOM 217 CD ARG A 17 -4.651 -3.226 -4.793 1.00 0.00 C ATOM 218 NE ARG A 17 -6.003 -3.269 -5.346 1.00 0.00 N ATOM 219 CZ ARG A 17 -6.346 -2.694 -6.492 1.00 0.00 C ATOM 220 NH1 ARG A 17 -5.442 -2.034 -7.204 1.00 0.00 N ATOM 221 NH2 ARG A 17 -7.596 -2.777 -6.929 1.00 0.00 N ATOM 0 H ARG A 17 -3.150 -2.422 0.456 1.00 0.00 H new ATOM 0 HA ARG A 17 -3.211 -4.543 -1.413 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -3.609 -1.743 -2.448 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -2.588 -2.837 -3.359 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -4.682 -4.481 -3.051 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -5.543 -2.968 -2.857 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -4.189 -2.270 -5.039 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -4.044 -4.002 -5.258 1.00 0.00 H new ATOM 0 HE ARG A 17 -6.722 -3.768 -4.823 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -4.480 -1.967 -6.871 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -5.709 -1.593 -8.084 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -8.294 -3.283 -6.384 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -7.859 -2.335 -7.810 1.00 0.00 H new ATOM 235 N CYS A 18 -0.706 -4.204 -1.755 1.00 0.00 N ATOM 236 CA CYS A 18 0.746 -4.159 -1.642 1.00 0.00 C ATOM 237 C CYS A 18 1.344 -3.219 -2.685 1.00 0.00 C ATOM 238 O CYS A 18 0.965 -3.252 -3.856 1.00 0.00 O ATOM 239 CB CYS A 18 1.335 -5.561 -1.806 1.00 0.00 C ATOM 240 SG CYS A 18 3.132 -5.651 -1.519 1.00 0.00 S ATOM 0 H CYS A 18 -1.060 -4.966 -2.333 1.00 0.00 H new ATOM 0 HA CYS A 18 0.997 -3.781 -0.651 1.00 0.00 H new ATOM 0 HB2 CYS A 18 0.833 -6.238 -1.114 1.00 0.00 H new ATOM 0 HB3 CYS A 18 1.120 -5.918 -2.813 1.00 0.00 H new ATOM 245 N PHE A 19 2.281 -2.382 -2.252 1.00 0.00 N ATOM 246 CA PHE A 19 2.932 -1.433 -3.147 1.00 0.00 C ATOM 247 C PHE A 19 4.051 -2.107 -3.935 1.00 0.00 C ATOM 248 O PHE A 19 4.966 -1.445 -4.424 1.00 0.00 O ATOM 249 CB PHE A 19 3.492 -0.251 -2.352 1.00 0.00 C ATOM 250 CG PHE A 19 3.958 0.885 -3.216 1.00 0.00 C ATOM 251 CD1 PHE A 19 3.046 1.753 -3.794 1.00 0.00 C ATOM 252 CD2 PHE A 19 5.309 1.086 -3.451 1.00 0.00 C ATOM 253 CE1 PHE A 19 3.471 2.801 -4.589 1.00 0.00 C ATOM 254 CE2 PHE A 19 5.740 2.131 -4.245 1.00 0.00 C ATOM 255 CZ PHE A 19 4.821 2.989 -4.816 1.00 0.00 C ATOM 0 H PHE A 19 2.606 -2.342 -1.286 1.00 0.00 H new ATOM 0 HA PHE A 19 2.186 -1.067 -3.852 1.00 0.00 H new ATOM 0 HB2 PHE A 19 2.725 0.113 -1.669 1.00 0.00 H new ATOM 0 HB3 PHE A 19 4.325 -0.597 -1.740 1.00 0.00 H new ATOM 0 HD1 PHE A 19 1.990 1.609 -3.621 1.00 0.00 H new ATOM 0 HD2 PHE A 19 6.033 0.418 -3.008 1.00 0.00 H new ATOM 0 HE1 PHE A 19 2.749 3.471 -5.032 1.00 0.00 H new ATOM 0 HE2 PHE A 19 6.796 2.277 -4.419 1.00 0.00 H new ATOM 0 HZ PHE A 19 5.157 3.805 -5.439 1.00 0.00 H new ATOM 265 N SER A 20 3.971 -3.428 -4.052 1.00 0.00 N ATOM 266 CA SER A 20 4.979 -4.194 -4.776 1.00 0.00 C ATOM 267 C SER A 20 4.325 -5.219 -5.697 1.00 0.00 C ATOM 268 O SER A 20 4.738 -5.392 -6.844 1.00 0.00 O ATOM 269 CB SER A 20 5.917 -4.899 -3.794 1.00 0.00 C ATOM 270 OG SER A 20 7.032 -4.084 -3.478 1.00 0.00 O ATOM 0 H SER A 20 3.219 -3.991 -3.655 1.00 0.00 H new ATOM 0 HA SER A 20 5.558 -3.500 -5.386 1.00 0.00 H new ATOM 0 HB2 SER A 20 5.374 -5.147 -2.882 1.00 0.00 H new ATOM 0 HB3 SER A 20 6.261 -5.839 -4.226 1.00 0.00 H new ATOM 0 HG SER A 20 7.839 -4.637 -3.433 1.00 0.00 H new ATOM 276 N CYS A 21 3.302 -5.896 -5.187 1.00 0.00 N ATOM 277 CA CYS A 21 2.589 -6.904 -5.962 1.00 0.00 C ATOM 278 C CYS A 21 1.125 -6.514 -6.146 1.00 0.00 C ATOM 279 O CYS A 21 0.381 -7.179 -6.866 1.00 0.00 O ATOM 280 CB CYS A 21 2.682 -8.267 -5.272 1.00 0.00 C ATOM 281 SG CYS A 21 2.297 -8.227 -3.492 1.00 0.00 S ATOM 0 H CYS A 21 2.948 -5.765 -4.239 1.00 0.00 H new ATOM 0 HA CYS A 21 3.056 -6.968 -6.945 1.00 0.00 H new ATOM 0 HB2 CYS A 21 1.999 -8.959 -5.765 1.00 0.00 H new ATOM 0 HB3 CYS A 21 3.689 -8.662 -5.406 1.00 0.00 H new ATOM 286 N ASN A 22 0.720 -5.431 -5.491 1.00 0.00 N ATOM 287 CA ASN A 22 -0.654 -4.952 -5.583 1.00 0.00 C ATOM 288 C ASN A 22 -1.626 -5.970 -4.994 1.00 0.00 C ATOM 289 O ASN A 22 -2.802 -6.004 -5.355 1.00 0.00 O ATOM 290 CB ASN A 22 -1.020 -4.665 -7.041 1.00 0.00 C ATOM 291 CG ASN A 22 -0.736 -3.229 -7.437 1.00 0.00 C ATOM 292 OD1 ASN A 22 0.129 -2.573 -6.856 1.00 0.00 O ATOM 293 ND2 ASN A 22 -1.465 -2.733 -8.429 1.00 0.00 N ATOM 0 H ASN A 22 1.324 -4.869 -4.891 1.00 0.00 H new ATOM 0 HA ASN A 22 -0.730 -4.029 -5.008 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -0.460 -5.336 -7.692 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -2.077 -4.879 -7.196 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -1.319 -1.772 -8.738 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -2.171 -3.313 -8.882 1.00 0.00 H new ATOM 300 N LYS A 23 -1.125 -6.799 -4.083 1.00 0.00 N ATOM 301 CA LYS A 23 -1.948 -7.817 -3.441 1.00 0.00 C ATOM 302 C LYS A 23 -2.731 -7.227 -2.273 1.00 0.00 C ATOM 303 O LYS A 23 -2.155 -6.847 -1.254 1.00 0.00 O ATOM 304 CB LYS A 23 -1.073 -8.973 -2.950 1.00 0.00 C ATOM 305 CG LYS A 23 -1.701 -9.774 -1.823 1.00 0.00 C ATOM 306 CD LYS A 23 -0.939 -11.063 -1.564 1.00 0.00 C ATOM 307 CE LYS A 23 0.156 -10.865 -0.527 1.00 0.00 C ATOM 308 NZ LYS A 23 1.263 -11.846 -0.695 1.00 0.00 N ATOM 0 H LYS A 23 -0.153 -6.785 -3.773 1.00 0.00 H new ATOM 0 HA LYS A 23 -2.658 -8.193 -4.178 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -0.864 -9.640 -3.786 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -0.116 -8.575 -2.613 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -1.720 -9.172 -0.914 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -2.736 -10.006 -2.073 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -1.630 -11.833 -1.222 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -0.499 -11.420 -2.495 1.00 0.00 H new ATOM 0 HE2 LYS A 23 0.553 -9.853 -0.606 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -0.268 -10.964 0.472 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 2.175 -11.371 -0.536 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 1.150 -12.618 -0.007 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 1.239 -12.235 -1.659 1.00 0.00 H new ATOM 322 N LYS A 24 -4.049 -7.154 -2.427 1.00 0.00 N ATOM 323 CA LYS A 24 -4.913 -6.614 -1.385 1.00 0.00 C ATOM 324 C LYS A 24 -4.475 -7.101 -0.008 1.00 0.00 C ATOM 325 O LYS A 24 -4.557 -8.292 0.295 1.00 0.00 O ATOM 326 CB LYS A 24 -6.368 -7.014 -1.641 1.00 0.00 C ATOM 327 CG LYS A 24 -6.689 -8.439 -1.224 1.00 0.00 C ATOM 328 CD LYS A 24 -8.048 -8.879 -1.741 1.00 0.00 C ATOM 329 CE LYS A 24 -8.065 -8.969 -3.259 1.00 0.00 C ATOM 330 NZ LYS A 24 -9.079 -9.946 -3.746 1.00 0.00 N ATOM 0 H LYS A 24 -4.542 -7.463 -3.265 1.00 0.00 H new ATOM 0 HA LYS A 24 -4.832 -5.527 -1.409 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -7.024 -6.330 -1.103 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -6.587 -6.897 -2.702 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -5.920 -9.112 -1.603 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -6.671 -8.514 -0.137 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -8.304 -9.849 -1.315 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -8.810 -8.174 -1.409 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -8.277 -7.986 -3.679 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -7.078 -9.262 -3.616 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -9.059 -9.978 -4.785 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -8.862 -10.890 -3.366 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -10.024 -9.653 -3.427 1.00 0.00 H new ATOM 344 N VAL A 25 -4.011 -6.174 0.824 1.00 0.00 N ATOM 345 CA VAL A 25 -3.563 -6.509 2.170 1.00 0.00 C ATOM 346 C VAL A 25 -4.642 -6.201 3.201 1.00 0.00 C ATOM 347 O VAL A 25 -4.346 -5.944 4.368 1.00 0.00 O ATOM 348 CB VAL A 25 -2.279 -5.743 2.541 1.00 0.00 C ATOM 349 CG1 VAL A 25 -1.121 -6.183 1.659 1.00 0.00 C ATOM 350 CG2 VAL A 25 -2.504 -4.243 2.432 1.00 0.00 C ATOM 0 H VAL A 25 -3.936 -5.184 0.589 1.00 0.00 H new ATOM 0 HA VAL A 25 -3.354 -7.579 2.177 1.00 0.00 H new ATOM 0 HB VAL A 25 -2.024 -5.975 3.575 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -0.223 -5.631 1.936 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -0.947 -7.251 1.793 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -1.362 -5.983 0.615 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -1.587 -3.717 2.698 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -2.784 -3.990 1.409 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -3.303 -3.945 3.111 1.00 0.00 H new ATOM 360 N GLY A 26 -5.897 -6.228 2.763 1.00 0.00 N ATOM 361 CA GLY A 26 -7.003 -5.949 3.661 1.00 0.00 C ATOM 362 C GLY A 26 -6.662 -4.889 4.689 1.00 0.00 C ATOM 363 O GLY A 26 -5.971 -3.917 4.384 1.00 0.00 O ATOM 0 H GLY A 26 -6.168 -6.438 1.802 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -7.865 -5.623 3.080 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -7.292 -6.867 4.173 1.00 0.00 H new ATOM 367 N VAL A 27 -7.148 -5.076 5.913 1.00 0.00 N ATOM 368 CA VAL A 27 -6.891 -4.127 6.990 1.00 0.00 C ATOM 369 C VAL A 27 -5.812 -4.646 7.934 1.00 0.00 C ATOM 370 O VAL A 27 -5.791 -4.305 9.116 1.00 0.00 O ATOM 371 CB VAL A 27 -8.169 -3.837 7.799 1.00 0.00 C ATOM 372 CG1 VAL A 27 -9.262 -3.291 6.893 1.00 0.00 C ATOM 373 CG2 VAL A 27 -8.639 -5.092 8.519 1.00 0.00 C ATOM 0 H VAL A 27 -7.721 -5.875 6.183 1.00 0.00 H new ATOM 0 HA VAL A 27 -6.548 -3.204 6.523 1.00 0.00 H new ATOM 0 HB VAL A 27 -7.940 -3.080 8.549 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -10.157 -3.092 7.482 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -8.921 -2.366 6.428 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -9.492 -4.023 6.119 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -9.543 -4.869 9.086 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -8.852 -5.872 7.788 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -7.859 -5.435 9.199 1.00 0.00 H new ATOM 383 N MET A 28 -4.917 -5.473 7.403 1.00 0.00 N ATOM 384 CA MET A 28 -3.833 -6.038 8.198 1.00 0.00 C ATOM 385 C MET A 28 -2.508 -5.957 7.446 1.00 0.00 C ATOM 386 O MET A 28 -1.643 -6.819 7.599 1.00 0.00 O ATOM 387 CB MET A 28 -4.141 -7.493 8.558 1.00 0.00 C ATOM 388 CG MET A 28 -5.417 -7.662 9.367 1.00 0.00 C ATOM 389 SD MET A 28 -5.234 -7.111 11.074 1.00 0.00 S ATOM 390 CE MET A 28 -5.919 -8.511 11.957 1.00 0.00 C ATOM 0 H MET A 28 -4.921 -5.766 6.426 1.00 0.00 H new ATOM 0 HA MET A 28 -3.746 -5.455 9.115 1.00 0.00 H new ATOM 0 HB2 MET A 28 -4.222 -8.076 7.641 1.00 0.00 H new ATOM 0 HB3 MET A 28 -3.305 -7.904 9.124 1.00 0.00 H new ATOM 0 HG2 MET A 28 -6.221 -7.100 8.892 1.00 0.00 H new ATOM 0 HG3 MET A 28 -5.713 -8.711 9.357 1.00 0.00 H new ATOM 0 HE1 MET A 28 -5.876 -8.321 13.029 1.00 0.00 H new ATOM 0 HE2 MET A 28 -6.956 -8.659 11.656 1.00 0.00 H new ATOM 0 HE3 MET A 28 -5.342 -9.406 11.724 1.00 0.00 H new ATOM 400 N GLY A 29 -2.356 -4.916 6.634 1.00 0.00 N ATOM 401 CA GLY A 29 -1.134 -4.743 5.871 1.00 0.00 C ATOM 402 C GLY A 29 -0.042 -4.060 6.671 1.00 0.00 C ATOM 403 O GLY A 29 -0.250 -3.686 7.826 1.00 0.00 O ATOM 0 H GLY A 29 -3.057 -4.189 6.491 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -0.778 -5.717 5.535 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -1.347 -4.156 4.978 1.00 0.00 H new ATOM 407 N PHE A 30 1.126 -3.898 6.058 1.00 0.00 N ATOM 408 CA PHE A 30 2.256 -3.259 6.722 1.00 0.00 C ATOM 409 C PHE A 30 2.537 -1.887 6.116 1.00 0.00 C ATOM 410 O PHE A 30 3.161 -1.778 5.060 1.00 0.00 O ATOM 411 CB PHE A 30 3.502 -4.140 6.618 1.00 0.00 C ATOM 412 CG PHE A 30 3.545 -5.240 7.640 1.00 0.00 C ATOM 413 CD1 PHE A 30 4.087 -5.016 8.895 1.00 0.00 C ATOM 414 CD2 PHE A 30 3.044 -6.498 7.345 1.00 0.00 C ATOM 415 CE1 PHE A 30 4.129 -6.027 9.837 1.00 0.00 C ATOM 416 CE2 PHE A 30 3.083 -7.512 8.283 1.00 0.00 C ATOM 417 CZ PHE A 30 3.625 -7.276 9.531 1.00 0.00 C ATOM 0 H PHE A 30 1.315 -4.201 5.102 1.00 0.00 H new ATOM 0 HA PHE A 30 2.000 -3.128 7.773 1.00 0.00 H new ATOM 0 HB2 PHE A 30 3.545 -4.579 5.621 1.00 0.00 H new ATOM 0 HB3 PHE A 30 4.389 -3.516 6.730 1.00 0.00 H new ATOM 0 HD1 PHE A 30 4.481 -4.041 9.140 1.00 0.00 H new ATOM 0 HD2 PHE A 30 2.618 -6.688 6.371 1.00 0.00 H new ATOM 0 HE1 PHE A 30 4.556 -5.840 10.811 1.00 0.00 H new ATOM 0 HE2 PHE A 30 2.690 -8.488 8.040 1.00 0.00 H new ATOM 0 HZ PHE A 30 3.655 -8.066 10.266 1.00 0.00 H new ATOM 427 N LYS A 31 2.072 -0.841 6.792 1.00 0.00 N ATOM 428 CA LYS A 31 2.273 0.524 6.322 1.00 0.00 C ATOM 429 C LYS A 31 3.648 1.044 6.732 1.00 0.00 C ATOM 430 O LYS A 31 3.966 1.118 7.919 1.00 0.00 O ATOM 431 CB LYS A 31 1.183 1.442 6.879 1.00 0.00 C ATOM 432 CG LYS A 31 1.459 2.919 6.657 1.00 0.00 C ATOM 433 CD LYS A 31 0.175 3.732 6.648 1.00 0.00 C ATOM 434 CE LYS A 31 0.454 5.218 6.815 1.00 0.00 C ATOM 435 NZ LYS A 31 1.109 5.516 8.118 1.00 0.00 N ATOM 0 H LYS A 31 1.553 -0.913 7.667 1.00 0.00 H new ATOM 0 HA LYS A 31 2.215 0.519 5.234 1.00 0.00 H new ATOM 0 HB2 LYS A 31 0.231 1.185 6.414 1.00 0.00 H new ATOM 0 HB3 LYS A 31 1.076 1.258 7.948 1.00 0.00 H new ATOM 0 HG2 LYS A 31 2.119 3.289 7.442 1.00 0.00 H new ATOM 0 HG3 LYS A 31 1.983 3.054 5.711 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -0.357 3.564 5.711 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -0.478 3.391 7.451 1.00 0.00 H new ATOM 0 HE2 LYS A 31 1.092 5.561 6.001 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -0.481 5.773 6.743 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 0.908 6.499 8.390 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 0.740 4.873 8.847 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 2.137 5.384 8.028 1.00 0.00 H new ATOM 449 N CYS A 32 4.458 1.403 5.742 1.00 0.00 N ATOM 450 CA CYS A 32 5.798 1.917 5.999 1.00 0.00 C ATOM 451 C CYS A 32 5.748 3.383 6.418 1.00 0.00 C ATOM 452 O CYS A 32 4.815 4.108 6.071 1.00 0.00 O ATOM 453 CB CYS A 32 6.673 1.761 4.754 1.00 0.00 C ATOM 454 SG CYS A 32 8.331 2.500 4.913 1.00 0.00 S ATOM 0 H CYS A 32 4.210 1.347 4.754 1.00 0.00 H new ATOM 0 HA CYS A 32 6.231 1.339 6.815 1.00 0.00 H new ATOM 0 HB2 CYS A 32 6.780 0.700 4.529 1.00 0.00 H new ATOM 0 HB3 CYS A 32 6.163 2.217 3.905 1.00 0.00 H new ATOM 459 N LYS A 33 6.757 3.813 7.167 1.00 0.00 N ATOM 460 CA LYS A 33 6.831 5.193 7.634 1.00 0.00 C ATOM 461 C LYS A 33 6.631 6.169 6.479 1.00 0.00 C ATOM 462 O LYS A 33 6.100 7.265 6.664 1.00 0.00 O ATOM 463 CB LYS A 33 8.179 5.453 8.309 1.00 0.00 C ATOM 464 CG LYS A 33 8.430 4.578 9.525 1.00 0.00 C ATOM 465 CD LYS A 33 9.305 5.283 10.548 1.00 0.00 C ATOM 466 CE LYS A 33 8.472 6.096 11.527 1.00 0.00 C ATOM 467 NZ LYS A 33 9.293 6.612 12.658 1.00 0.00 N ATOM 0 H LYS A 33 7.536 3.225 7.464 1.00 0.00 H new ATOM 0 HA LYS A 33 6.033 5.348 8.360 1.00 0.00 H new ATOM 0 HB2 LYS A 33 8.976 5.290 7.584 1.00 0.00 H new ATOM 0 HB3 LYS A 33 8.230 6.500 8.609 1.00 0.00 H new ATOM 0 HG2 LYS A 33 7.478 4.308 9.983 1.00 0.00 H new ATOM 0 HG3 LYS A 33 8.909 3.649 9.214 1.00 0.00 H new ATOM 0 HD2 LYS A 33 9.894 4.546 11.094 1.00 0.00 H new ATOM 0 HD3 LYS A 33 10.009 5.938 10.036 1.00 0.00 H new ATOM 0 HE2 LYS A 33 8.009 6.932 11.003 1.00 0.00 H new ATOM 0 HE3 LYS A 33 7.664 5.478 11.917 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 8.689 7.161 13.303 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 9.715 5.813 13.174 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 10.049 7.223 12.288 1.00 0.00 H new ATOM 481 N CYS A 34 7.058 5.765 5.288 1.00 0.00 N ATOM 482 CA CYS A 34 6.925 6.603 4.102 1.00 0.00 C ATOM 483 C CYS A 34 5.456 6.857 3.777 1.00 0.00 C ATOM 484 O CYS A 34 5.088 7.939 3.323 1.00 0.00 O ATOM 485 CB CYS A 34 7.617 5.945 2.907 1.00 0.00 C ATOM 486 SG CYS A 34 6.937 4.316 2.458 1.00 0.00 S ATOM 0 H CYS A 34 7.500 4.861 5.118 1.00 0.00 H new ATOM 0 HA CYS A 34 7.404 7.560 4.309 1.00 0.00 H new ATOM 0 HB2 CYS A 34 7.540 6.609 2.046 1.00 0.00 H new ATOM 0 HB3 CYS A 34 8.678 5.835 3.131 1.00 0.00 H new ATOM 491 N GLY A 35 4.620 5.850 4.015 1.00 0.00 N ATOM 492 CA GLY A 35 3.201 5.983 3.742 1.00 0.00 C ATOM 493 C GLY A 35 2.731 5.047 2.647 1.00 0.00 C ATOM 494 O GLY A 35 1.829 5.383 1.879 1.00 0.00 O ATOM 0 H GLY A 35 4.901 4.945 4.392 1.00 0.00 H new ATOM 0 HA2 GLY A 35 2.638 5.782 4.654 1.00 0.00 H new ATOM 0 HA3 GLY A 35 2.984 7.012 3.454 1.00 0.00 H new ATOM 498 N SER A 36 3.344 3.870 2.572 1.00 0.00 N ATOM 499 CA SER A 36 2.986 2.884 1.559 1.00 0.00 C ATOM 500 C SER A 36 2.497 1.593 2.207 1.00 0.00 C ATOM 501 O SER A 36 2.935 1.225 3.297 1.00 0.00 O ATOM 502 CB SER A 36 4.186 2.592 0.656 1.00 0.00 C ATOM 503 OG SER A 36 4.906 3.778 0.366 1.00 0.00 O ATOM 0 H SER A 36 4.091 3.576 3.201 1.00 0.00 H new ATOM 0 HA SER A 36 2.177 3.296 0.955 1.00 0.00 H new ATOM 0 HB2 SER A 36 4.845 1.873 1.142 1.00 0.00 H new ATOM 0 HB3 SER A 36 3.844 2.134 -0.272 1.00 0.00 H new ATOM 0 HG SER A 36 5.591 3.921 1.052 1.00 0.00 H new ATOM 509 N THR A 37 1.583 0.907 1.527 1.00 0.00 N ATOM 510 CA THR A 37 1.031 -0.343 2.035 1.00 0.00 C ATOM 511 C THR A 37 1.703 -1.546 1.382 1.00 0.00 C ATOM 512 O THR A 37 1.944 -1.555 0.174 1.00 0.00 O ATOM 513 CB THR A 37 -0.488 -0.425 1.795 1.00 0.00 C ATOM 514 OG1 THR A 37 -1.110 0.810 2.167 1.00 0.00 O ATOM 515 CG2 THR A 37 -1.101 -1.567 2.591 1.00 0.00 C ATOM 0 H THR A 37 1.210 1.196 0.623 1.00 0.00 H new ATOM 0 HA THR A 37 1.223 -0.361 3.108 1.00 0.00 H new ATOM 0 HB THR A 37 -0.656 -0.611 0.734 1.00 0.00 H new ATOM 0 HG1 THR A 37 -2.075 0.750 2.010 1.00 0.00 H new ATOM 0 HG21 THR A 37 -2.174 -1.605 2.405 1.00 0.00 H new ATOM 0 HG22 THR A 37 -0.646 -2.509 2.285 1.00 0.00 H new ATOM 0 HG23 THR A 37 -0.922 -1.407 3.654 1.00 0.00 H new ATOM 523 N PHE A 38 2.002 -2.560 2.187 1.00 0.00 N ATOM 524 CA PHE A 38 2.647 -3.769 1.687 1.00 0.00 C ATOM 525 C PHE A 38 2.025 -5.014 2.311 1.00 0.00 C ATOM 526 O PHE A 38 1.328 -4.934 3.323 1.00 0.00 O ATOM 527 CB PHE A 38 4.148 -3.731 1.982 1.00 0.00 C ATOM 528 CG PHE A 38 4.816 -2.464 1.530 1.00 0.00 C ATOM 529 CD1 PHE A 38 5.319 -2.352 0.244 1.00 0.00 C ATOM 530 CD2 PHE A 38 4.940 -1.386 2.391 1.00 0.00 C ATOM 531 CE1 PHE A 38 5.936 -1.187 -0.174 1.00 0.00 C ATOM 532 CE2 PHE A 38 5.555 -0.218 1.978 1.00 0.00 C ATOM 533 CZ PHE A 38 6.052 -0.119 0.693 1.00 0.00 C ATOM 0 H PHE A 38 1.808 -2.569 3.188 1.00 0.00 H new ATOM 0 HA PHE A 38 2.497 -3.812 0.608 1.00 0.00 H new ATOM 0 HB2 PHE A 38 4.303 -3.851 3.054 1.00 0.00 H new ATOM 0 HB3 PHE A 38 4.628 -4.579 1.494 1.00 0.00 H new ATOM 0 HD1 PHE A 38 5.228 -3.183 -0.439 1.00 0.00 H new ATOM 0 HD2 PHE A 38 4.552 -1.458 3.396 1.00 0.00 H new ATOM 0 HE1 PHE A 38 6.327 -1.113 -1.178 1.00 0.00 H new ATOM 0 HE2 PHE A 38 5.646 0.615 2.659 1.00 0.00 H new ATOM 0 HZ PHE A 38 6.531 0.793 0.367 1.00 0.00 H new ATOM 543 N CYS A 39 2.282 -6.166 1.700 1.00 0.00 N ATOM 544 CA CYS A 39 1.748 -7.430 2.193 1.00 0.00 C ATOM 545 C CYS A 39 2.741 -8.111 3.131 1.00 0.00 C ATOM 546 O CYS A 39 2.840 -9.337 3.164 1.00 0.00 O ATOM 547 CB CYS A 39 1.415 -8.358 1.024 1.00 0.00 C ATOM 548 SG CYS A 39 2.875 -9.099 0.224 1.00 0.00 S ATOM 0 H CYS A 39 2.857 -6.250 0.862 1.00 0.00 H new ATOM 0 HA CYS A 39 0.836 -7.218 2.750 1.00 0.00 H new ATOM 0 HB2 CYS A 39 0.765 -9.157 1.382 1.00 0.00 H new ATOM 0 HB3 CYS A 39 0.851 -7.798 0.279 1.00 0.00 H new ATOM 553 N GLY A 40 3.475 -7.305 3.893 1.00 0.00 N ATOM 554 CA GLY A 40 4.451 -7.847 4.821 1.00 0.00 C ATOM 555 C GLY A 40 5.735 -8.267 4.133 1.00 0.00 C ATOM 556 O GLY A 40 6.828 -7.933 4.589 1.00 0.00 O ATOM 0 H GLY A 40 3.411 -6.287 3.884 1.00 0.00 H new ATOM 0 HA2 GLY A 40 4.678 -7.100 5.582 1.00 0.00 H new ATOM 0 HA3 GLY A 40 4.020 -8.706 5.336 1.00 0.00 H new ATOM 560 N SER A 41 5.602 -9.001 3.033 1.00 0.00 N ATOM 561 CA SER A 41 6.762 -9.471 2.284 1.00 0.00 C ATOM 562 C SER A 41 7.473 -8.309 1.598 1.00 0.00 C ATOM 563 O SER A 41 8.669 -8.410 1.326 1.00 0.00 O ATOM 564 CB SER A 41 6.337 -10.509 1.244 1.00 0.00 C ATOM 565 OG SER A 41 5.788 -11.659 1.865 1.00 0.00 O ATOM 0 H SER A 41 4.704 -9.283 2.641 1.00 0.00 H new ATOM 0 HA SER A 41 7.455 -9.934 2.987 1.00 0.00 H new ATOM 0 HB2 SER A 41 5.602 -10.071 0.568 1.00 0.00 H new ATOM 0 HB3 SER A 41 7.197 -10.795 0.638 1.00 0.00 H new ATOM 0 HG SER A 41 5.523 -12.306 1.179 1.00 0.00 H new ATOM 571 N HIS A 42 6.731 -7.243 1.337 1.00 0.00 N ATOM 572 CA HIS A 42 7.301 -6.076 0.686 1.00 0.00 C ATOM 573 C HIS A 42 7.212 -4.870 1.624 1.00 0.00 C ATOM 574 O HIS A 42 7.239 -3.713 1.204 1.00 0.00 O ATOM 575 CB HIS A 42 6.630 -5.826 -0.666 1.00 0.00 C ATOM 576 CG HIS A 42 6.525 -7.055 -1.536 1.00 0.00 C ATOM 577 ND1 HIS A 42 5.363 -7.406 -2.202 1.00 0.00 N ATOM 578 CD2 HIS A 42 7.448 -8.011 -1.844 1.00 0.00 C ATOM 579 CE1 HIS A 42 5.588 -8.525 -2.875 1.00 0.00 C ATOM 580 NE2 HIS A 42 6.881 -8.899 -2.651 1.00 0.00 N ATOM 0 H HIS A 42 5.740 -7.163 1.565 1.00 0.00 H new ATOM 0 HA HIS A 42 8.356 -6.252 0.476 1.00 0.00 H new ATOM 0 HB2 HIS A 42 5.630 -5.428 -0.495 1.00 0.00 H new ATOM 0 HB3 HIS A 42 7.191 -5.061 -1.202 1.00 0.00 H new ATOM 0 HD2 HIS A 42 8.468 -8.040 -1.491 1.00 0.00 H new ATOM 0 HE1 HIS A 42 4.873 -9.049 -3.492 1.00 0.00 H new ATOM 0 HE2 HIS A 42 7.337 -9.725 -3.040 1.00 0.00 H new ATOM 588 N ARG A 43 7.104 -5.170 2.914 1.00 0.00 N ATOM 589 CA ARG A 43 7.008 -4.132 3.934 1.00 0.00 C ATOM 590 C ARG A 43 8.349 -3.430 4.123 1.00 0.00 C ATOM 591 O ARG A 43 8.417 -2.343 4.697 1.00 0.00 O ATOM 592 CB ARG A 43 6.543 -4.733 5.261 1.00 0.00 C ATOM 593 CG ARG A 43 7.606 -5.566 5.959 1.00 0.00 C ATOM 594 CD ARG A 43 7.014 -6.391 7.090 1.00 0.00 C ATOM 595 NE ARG A 43 8.025 -6.787 8.067 1.00 0.00 N ATOM 596 CZ ARG A 43 8.429 -6.006 9.063 1.00 0.00 C ATOM 597 NH1 ARG A 43 7.911 -4.795 9.213 1.00 0.00 N ATOM 598 NH2 ARG A 43 9.354 -6.437 9.911 1.00 0.00 N ATOM 0 H ARG A 43 7.081 -6.123 3.278 1.00 0.00 H new ATOM 0 HA ARG A 43 6.276 -3.396 3.600 1.00 0.00 H new ATOM 0 HB2 ARG A 43 6.231 -3.927 5.925 1.00 0.00 H new ATOM 0 HB3 ARG A 43 5.666 -5.355 5.081 1.00 0.00 H new ATOM 0 HG2 ARG A 43 8.084 -6.227 5.236 1.00 0.00 H new ATOM 0 HG3 ARG A 43 8.383 -4.911 6.353 1.00 0.00 H new ATOM 0 HD2 ARG A 43 6.234 -5.815 7.589 1.00 0.00 H new ATOM 0 HD3 ARG A 43 6.539 -7.282 6.679 1.00 0.00 H new ATOM 0 HE ARG A 43 8.443 -7.713 7.980 1.00 0.00 H new ATOM 0 HH11 ARG A 43 7.200 -4.460 8.563 1.00 0.00 H new ATOM 0 HH12 ARG A 43 8.223 -4.198 9.979 1.00 0.00 H new ATOM 0 HH21 ARG A 43 9.755 -7.368 9.798 1.00 0.00 H new ATOM 0 HH22 ARG A 43 9.664 -5.837 10.676 1.00 0.00 H new ATOM 612 N TYR A 44 9.414 -4.059 3.638 1.00 0.00 N ATOM 613 CA TYR A 44 10.754 -3.496 3.756 1.00 0.00 C ATOM 614 C TYR A 44 10.961 -2.366 2.752 1.00 0.00 C ATOM 615 O TYR A 44 10.393 -2.359 1.660 1.00 0.00 O ATOM 616 CB TYR A 44 11.807 -4.584 3.540 1.00 0.00 C ATOM 617 CG TYR A 44 11.608 -5.802 4.415 1.00 0.00 C ATOM 618 CD1 TYR A 44 10.759 -6.830 4.024 1.00 0.00 C ATOM 619 CD2 TYR A 44 12.268 -5.923 5.631 1.00 0.00 C ATOM 620 CE1 TYR A 44 10.573 -7.944 4.820 1.00 0.00 C ATOM 621 CE2 TYR A 44 12.090 -7.034 6.432 1.00 0.00 C ATOM 622 CZ TYR A 44 11.241 -8.042 6.023 1.00 0.00 C ATOM 623 OH TYR A 44 11.060 -9.149 6.819 1.00 0.00 O ATOM 0 H TYR A 44 9.375 -4.959 3.159 1.00 0.00 H new ATOM 0 HA TYR A 44 10.862 -3.089 4.761 1.00 0.00 H new ATOM 0 HB2 TYR A 44 11.790 -4.892 2.494 1.00 0.00 H new ATOM 0 HB3 TYR A 44 12.795 -4.165 3.733 1.00 0.00 H new ATOM 0 HD1 TYR A 44 10.236 -6.757 3.082 1.00 0.00 H new ATOM 0 HD2 TYR A 44 12.932 -5.135 5.956 1.00 0.00 H new ATOM 0 HE1 TYR A 44 9.908 -8.734 4.502 1.00 0.00 H new ATOM 0 HE2 TYR A 44 12.613 -7.113 7.374 1.00 0.00 H new ATOM 0 HH TYR A 44 11.604 -9.061 7.630 1.00 0.00 H new ATOM 633 N PRO A 45 11.795 -1.386 3.130 1.00 0.00 N ATOM 634 CA PRO A 45 12.098 -0.232 2.278 1.00 0.00 C ATOM 635 C PRO A 45 12.939 -0.613 1.064 1.00 0.00 C ATOM 636 O PRO A 45 12.785 -0.039 -0.013 1.00 0.00 O ATOM 637 CB PRO A 45 12.887 0.695 3.205 1.00 0.00 C ATOM 638 CG PRO A 45 13.492 -0.210 4.223 1.00 0.00 C ATOM 639 CD PRO A 45 12.506 -1.329 4.418 1.00 0.00 C ATOM 0 HA PRO A 45 11.195 0.220 1.868 1.00 0.00 H new ATOM 0 HB2 PRO A 45 13.654 1.243 2.657 1.00 0.00 H new ATOM 0 HB3 PRO A 45 12.237 1.436 3.671 1.00 0.00 H new ATOM 0 HG2 PRO A 45 14.454 -0.592 3.883 1.00 0.00 H new ATOM 0 HG3 PRO A 45 13.672 0.319 5.159 1.00 0.00 H new ATOM 0 HD2 PRO A 45 13.006 -2.271 4.643 1.00 0.00 H new ATOM 0 HD3 PRO A 45 11.825 -1.125 5.244 1.00 0.00 H new ATOM 647 N GLU A 46 13.827 -1.585 1.247 1.00 0.00 N ATOM 648 CA GLU A 46 14.692 -2.042 0.165 1.00 0.00 C ATOM 649 C GLU A 46 13.880 -2.737 -0.924 1.00 0.00 C ATOM 650 O GLU A 46 14.337 -2.882 -2.058 1.00 0.00 O ATOM 651 CB GLU A 46 15.762 -2.993 0.705 1.00 0.00 C ATOM 652 CG GLU A 46 15.195 -4.166 1.487 1.00 0.00 C ATOM 653 CD GLU A 46 16.273 -4.999 2.153 1.00 0.00 C ATOM 654 OE1 GLU A 46 16.937 -5.785 1.446 1.00 0.00 O ATOM 655 OE2 GLU A 46 16.453 -4.863 3.382 1.00 0.00 O ATOM 0 H GLU A 46 13.966 -2.071 2.133 1.00 0.00 H new ATOM 0 HA GLU A 46 15.179 -1.169 -0.270 1.00 0.00 H new ATOM 0 HB2 GLU A 46 16.352 -3.374 -0.129 1.00 0.00 H new ATOM 0 HB3 GLU A 46 16.442 -2.434 1.347 1.00 0.00 H new ATOM 0 HG2 GLU A 46 14.508 -3.793 2.247 1.00 0.00 H new ATOM 0 HG3 GLU A 46 14.615 -4.799 0.816 1.00 0.00 H new ATOM 662 N LYS A 47 12.673 -3.166 -0.571 1.00 0.00 N ATOM 663 CA LYS A 47 11.796 -3.846 -1.517 1.00 0.00 C ATOM 664 C LYS A 47 10.742 -2.890 -2.065 1.00 0.00 C ATOM 665 O LYS A 47 9.730 -3.348 -2.593 1.00 0.00 O ATOM 666 CB LYS A 47 11.116 -5.041 -0.844 1.00 0.00 C ATOM 667 CG LYS A 47 12.091 -6.036 -0.240 1.00 0.00 C ATOM 668 CD LYS A 47 12.796 -6.847 -1.314 1.00 0.00 C ATOM 669 CE LYS A 47 14.101 -6.192 -1.741 1.00 0.00 C ATOM 670 NZ LYS A 47 15.257 -6.687 -0.943 1.00 0.00 N ATOM 0 H LYS A 47 12.280 -3.055 0.364 1.00 0.00 H new ATOM 0 HA LYS A 47 12.405 -4.202 -2.348 1.00 0.00 H new ATOM 0 HB2 LYS A 47 10.451 -4.676 -0.061 1.00 0.00 H new ATOM 0 HB3 LYS A 47 10.494 -5.554 -1.577 1.00 0.00 H new ATOM 0 HG2 LYS A 47 12.830 -5.505 0.360 1.00 0.00 H new ATOM 0 HG3 LYS A 47 11.557 -6.707 0.433 1.00 0.00 H new ATOM 0 HD2 LYS A 47 12.997 -7.851 -0.940 1.00 0.00 H new ATOM 0 HD3 LYS A 47 12.141 -6.954 -2.179 1.00 0.00 H new ATOM 0 HE2 LYS A 47 14.278 -6.390 -2.798 1.00 0.00 H new ATOM 0 HE3 LYS A 47 14.019 -5.111 -1.629 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 15.821 -5.879 -0.610 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 14.909 -7.226 -0.125 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 15.850 -7.302 -1.536 1.00 0.00 H new ATOM 684 N HIS A 48 10.998 -1.597 -1.931 1.00 0.00 N ATOM 685 CA HIS A 48 10.065 -0.594 -2.418 1.00 0.00 C ATOM 686 C HIS A 48 10.705 0.792 -2.321 1.00 0.00 C ATOM 687 O HIS A 48 11.184 1.217 -1.271 1.00 0.00 O ATOM 688 CB HIS A 48 8.732 -0.685 -1.672 1.00 0.00 C ATOM 689 CG HIS A 48 8.721 0.033 -0.344 1.00 0.00 C ATOM 690 ND1 HIS A 48 8.654 -0.632 0.867 1.00 0.00 N ATOM 691 CD2 HIS A 48 8.770 1.364 -0.051 1.00 0.00 C ATOM 692 CE1 HIS A 48 8.662 0.268 1.840 1.00 0.00 C ATOM 693 NE2 HIS A 48 8.733 1.505 1.269 1.00 0.00 N ATOM 0 H HIS A 48 11.838 -1.220 -1.492 1.00 0.00 H new ATOM 0 HA HIS A 48 9.841 -0.780 -3.468 1.00 0.00 H new ATOM 0 HB2 HIS A 48 7.945 -0.272 -2.303 1.00 0.00 H new ATOM 0 HB3 HIS A 48 8.490 -1.735 -1.508 1.00 0.00 H new ATOM 0 HD1 HIS A 48 8.606 -1.643 0.990 1.00 0.00 H new ATOM 0 HD2 HIS A 48 8.829 2.167 -0.771 1.00 0.00 H new ATOM 0 HE1 HIS A 48 8.620 0.059 2.899 1.00 0.00 H new ATOM 701 N GLU A 49 10.703 1.492 -3.452 1.00 0.00 N ATOM 702 CA GLU A 49 11.277 2.830 -3.522 1.00 0.00 C ATOM 703 C GLU A 49 10.835 3.675 -2.330 1.00 0.00 C ATOM 704 O GLU A 49 9.814 4.361 -2.385 1.00 0.00 O ATOM 705 CB GLU A 49 10.867 3.517 -4.827 1.00 0.00 C ATOM 706 CG GLU A 49 9.408 3.305 -5.195 1.00 0.00 C ATOM 707 CD GLU A 49 8.898 4.343 -6.176 1.00 0.00 C ATOM 708 OE1 GLU A 49 9.262 5.528 -6.030 1.00 0.00 O ATOM 709 OE2 GLU A 49 8.133 3.968 -7.090 1.00 0.00 O ATOM 0 H GLU A 49 10.311 1.154 -4.331 1.00 0.00 H new ATOM 0 HA GLU A 49 12.362 2.734 -3.495 1.00 0.00 H new ATOM 0 HB2 GLU A 49 11.059 4.586 -4.741 1.00 0.00 H new ATOM 0 HB3 GLU A 49 11.495 3.145 -5.636 1.00 0.00 H new ATOM 0 HG2 GLU A 49 9.287 2.312 -5.627 1.00 0.00 H new ATOM 0 HG3 GLU A 49 8.801 3.336 -4.290 1.00 0.00 H new ATOM 716 N CYS A 50 11.611 3.618 -1.253 1.00 0.00 N ATOM 717 CA CYS A 50 11.301 4.376 -0.046 1.00 0.00 C ATOM 718 C CYS A 50 12.106 5.671 0.004 1.00 0.00 C ATOM 719 O CYS A 50 13.310 5.657 0.257 1.00 0.00 O ATOM 720 CB CYS A 50 11.591 3.534 1.198 1.00 0.00 C ATOM 721 SG CYS A 50 10.878 4.207 2.733 1.00 0.00 S ATOM 0 H CYS A 50 12.459 3.055 -1.191 1.00 0.00 H new ATOM 0 HA CYS A 50 10.241 4.628 -0.067 1.00 0.00 H new ATOM 0 HB2 CYS A 50 11.204 2.527 1.041 1.00 0.00 H new ATOM 0 HB3 CYS A 50 12.670 3.445 1.320 1.00 0.00 H new ATOM 726 N SER A 51 11.430 6.790 -0.239 1.00 0.00 N ATOM 727 CA SER A 51 12.082 8.095 -0.225 1.00 0.00 C ATOM 728 C SER A 51 12.112 8.672 1.187 1.00 0.00 C ATOM 729 O SER A 51 12.024 9.886 1.375 1.00 0.00 O ATOM 730 CB SER A 51 11.361 9.059 -1.168 1.00 0.00 C ATOM 731 OG SER A 51 10.126 9.484 -0.617 1.00 0.00 O ATOM 0 H SER A 51 10.432 6.819 -0.448 1.00 0.00 H new ATOM 0 HA SER A 51 13.109 7.965 -0.567 1.00 0.00 H new ATOM 0 HB2 SER A 51 11.994 9.925 -1.361 1.00 0.00 H new ATOM 0 HB3 SER A 51 11.186 8.572 -2.127 1.00 0.00 H new ATOM 0 HG SER A 51 9.686 10.101 -1.238 1.00 0.00 H new ATOM 737 N PHE A 52 12.235 7.794 2.176 1.00 0.00 N ATOM 738 CA PHE A 52 12.275 8.215 3.572 1.00 0.00 C ATOM 739 C PHE A 52 13.700 8.165 4.115 1.00 0.00 C ATOM 740 O PHE A 52 14.496 7.311 3.721 1.00 0.00 O ATOM 741 CB PHE A 52 11.362 7.328 4.420 1.00 0.00 C ATOM 742 CG PHE A 52 11.192 7.818 5.830 1.00 0.00 C ATOM 743 CD1 PHE A 52 10.766 9.112 6.081 1.00 0.00 C ATOM 744 CD2 PHE A 52 11.458 6.984 6.904 1.00 0.00 C ATOM 745 CE1 PHE A 52 10.609 9.565 7.377 1.00 0.00 C ATOM 746 CE2 PHE A 52 11.303 7.432 8.203 1.00 0.00 C ATOM 747 CZ PHE A 52 10.877 8.724 8.439 1.00 0.00 C ATOM 0 H PHE A 52 12.309 6.786 2.037 1.00 0.00 H new ATOM 0 HA PHE A 52 11.921 9.245 3.625 1.00 0.00 H new ATOM 0 HB2 PHE A 52 10.383 7.268 3.944 1.00 0.00 H new ATOM 0 HB3 PHE A 52 11.769 6.317 4.442 1.00 0.00 H new ATOM 0 HD1 PHE A 52 10.554 9.774 5.255 1.00 0.00 H new ATOM 0 HD2 PHE A 52 11.790 5.972 6.724 1.00 0.00 H new ATOM 0 HE1 PHE A 52 10.277 10.576 7.559 1.00 0.00 H new ATOM 0 HE2 PHE A 52 11.515 6.772 9.032 1.00 0.00 H new ATOM 0 HZ PHE A 52 10.754 9.076 9.452 1.00 0.00 H new ATOM 757 N ASP A 53 14.015 9.085 5.020 1.00 0.00 N ATOM 758 CA ASP A 53 15.344 9.146 5.618 1.00 0.00 C ATOM 759 C ASP A 53 15.287 8.809 7.104 1.00 0.00 C ATOM 760 O ASP A 53 15.244 9.701 7.952 1.00 0.00 O ATOM 761 CB ASP A 53 15.952 10.535 5.420 1.00 0.00 C ATOM 762 CG ASP A 53 14.898 11.621 5.326 1.00 0.00 C ATOM 763 OD1 ASP A 53 14.351 12.009 6.379 1.00 0.00 O ATOM 764 OD2 ASP A 53 14.621 12.082 4.199 1.00 0.00 O ATOM 0 H ASP A 53 13.368 9.799 5.356 1.00 0.00 H new ATOM 0 HA ASP A 53 15.974 8.408 5.121 1.00 0.00 H new ATOM 0 HB2 ASP A 53 16.624 10.756 6.249 1.00 0.00 H new ATOM 0 HB3 ASP A 53 16.555 10.538 4.512 1.00 0.00 H new ATOM 769 N PHE A 54 15.285 7.517 7.413 1.00 0.00 N ATOM 770 CA PHE A 54 15.231 7.062 8.798 1.00 0.00 C ATOM 771 C PHE A 54 16.383 7.647 9.608 1.00 0.00 C ATOM 772 O PHE A 54 16.202 8.072 10.750 1.00 0.00 O ATOM 773 CB PHE A 54 15.276 5.533 8.857 1.00 0.00 C ATOM 774 CG PHE A 54 14.165 4.871 8.093 1.00 0.00 C ATOM 775 CD1 PHE A 54 14.277 4.658 6.728 1.00 0.00 C ATOM 776 CD2 PHE A 54 13.010 4.462 8.739 1.00 0.00 C ATOM 777 CE1 PHE A 54 13.257 4.048 6.022 1.00 0.00 C ATOM 778 CE2 PHE A 54 11.987 3.851 8.038 1.00 0.00 C ATOM 779 CZ PHE A 54 12.110 3.645 6.678 1.00 0.00 C ATOM 0 H PHE A 54 15.320 6.766 6.723 1.00 0.00 H new ATOM 0 HA PHE A 54 14.293 7.408 9.231 1.00 0.00 H new ATOM 0 HB2 PHE A 54 16.232 5.190 8.462 1.00 0.00 H new ATOM 0 HB3 PHE A 54 15.229 5.216 9.899 1.00 0.00 H new ATOM 0 HD1 PHE A 54 15.171 4.972 6.210 1.00 0.00 H new ATOM 0 HD2 PHE A 54 12.907 4.622 9.802 1.00 0.00 H new ATOM 0 HE1 PHE A 54 13.357 3.887 4.959 1.00 0.00 H new ATOM 0 HE2 PHE A 54 11.092 3.535 8.554 1.00 0.00 H new ATOM 0 HZ PHE A 54 11.311 3.170 6.128 1.00 0.00 H new ATOM 789 N LYS A 55 17.570 7.666 9.010 1.00 0.00 N ATOM 790 CA LYS A 55 18.753 8.200 9.674 1.00 0.00 C ATOM 791 C LYS A 55 18.504 9.620 10.173 1.00 0.00 C ATOM 792 O LYS A 55 18.424 10.559 9.383 1.00 0.00 O ATOM 793 CB LYS A 55 19.948 8.186 8.719 1.00 0.00 C ATOM 794 CG LYS A 55 20.485 6.794 8.435 1.00 0.00 C ATOM 795 CD LYS A 55 21.092 6.166 9.678 1.00 0.00 C ATOM 796 CE LYS A 55 22.062 5.050 9.322 1.00 0.00 C ATOM 797 NZ LYS A 55 23.034 4.789 10.419 1.00 0.00 N ATOM 0 H LYS A 55 17.738 7.317 8.066 1.00 0.00 H new ATOM 0 HA LYS A 55 18.974 7.566 10.533 1.00 0.00 H new ATOM 0 HB2 LYS A 55 19.656 8.652 7.778 1.00 0.00 H new ATOM 0 HB3 LYS A 55 20.747 8.795 9.142 1.00 0.00 H new ATOM 0 HG2 LYS A 55 19.679 6.161 8.063 1.00 0.00 H new ATOM 0 HG3 LYS A 55 21.238 6.847 7.648 1.00 0.00 H new ATOM 0 HD2 LYS A 55 21.611 6.930 10.256 1.00 0.00 H new ATOM 0 HD3 LYS A 55 20.298 5.771 10.312 1.00 0.00 H new ATOM 0 HE2 LYS A 55 21.504 4.139 9.107 1.00 0.00 H new ATOM 0 HE3 LYS A 55 22.603 5.315 8.413 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 23.677 4.022 10.138 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 23.584 5.651 10.607 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 22.520 4.511 11.279 1.00 0.00 H new ATOM 811 N GLU A 56 18.382 9.767 11.489 1.00 0.00 N ATOM 812 CA GLU A 56 18.143 11.073 12.091 1.00 0.00 C ATOM 813 C GLU A 56 19.137 12.105 11.567 1.00 0.00 C ATOM 814 O GLU A 56 20.339 11.846 11.498 1.00 0.00 O ATOM 815 CB GLU A 56 18.241 10.982 13.615 1.00 0.00 C ATOM 816 CG GLU A 56 18.200 12.333 14.310 1.00 0.00 C ATOM 817 CD GLU A 56 18.979 12.343 15.611 1.00 0.00 C ATOM 818 OE1 GLU A 56 20.093 11.779 15.640 1.00 0.00 O ATOM 819 OE2 GLU A 56 18.475 12.915 16.600 1.00 0.00 O ATOM 0 H GLU A 56 18.445 8.999 12.157 1.00 0.00 H new ATOM 0 HA GLU A 56 17.137 11.392 11.817 1.00 0.00 H new ATOM 0 HB2 GLU A 56 17.422 10.367 13.987 1.00 0.00 H new ATOM 0 HB3 GLU A 56 19.168 10.474 13.881 1.00 0.00 H new ATOM 0 HG2 GLU A 56 18.605 13.093 13.642 1.00 0.00 H new ATOM 0 HG3 GLU A 56 17.163 12.604 14.509 1.00 0.00 H new ATOM 826 N VAL A 57 18.627 13.276 11.199 1.00 0.00 N ATOM 827 CA VAL A 57 19.470 14.348 10.681 1.00 0.00 C ATOM 828 C VAL A 57 19.364 15.597 11.548 1.00 0.00 C ATOM 829 O VAL A 57 18.315 15.876 12.127 1.00 0.00 O ATOM 830 CB VAL A 57 19.092 14.708 9.232 1.00 0.00 C ATOM 831 CG1 VAL A 57 17.637 15.144 9.152 1.00 0.00 C ATOM 832 CG2 VAL A 57 20.013 15.795 8.697 1.00 0.00 C ATOM 0 H VAL A 57 17.635 13.507 11.250 1.00 0.00 H new ATOM 0 HA VAL A 57 20.497 13.982 10.700 1.00 0.00 H new ATOM 0 HB VAL A 57 19.215 13.821 8.611 1.00 0.00 H new ATOM 0 HG11 VAL A 57 17.388 15.394 8.121 1.00 0.00 H new ATOM 0 HG12 VAL A 57 16.995 14.332 9.493 1.00 0.00 H new ATOM 0 HG13 VAL A 57 17.484 16.018 9.785 1.00 0.00 H new ATOM 0 HG21 VAL A 57 19.732 16.038 7.672 1.00 0.00 H new ATOM 0 HG22 VAL A 57 19.924 16.686 9.318 1.00 0.00 H new ATOM 0 HG23 VAL A 57 21.044 15.441 8.717 1.00 0.00 H new ATOM 842 N GLY A 58 20.459 16.346 11.633 1.00 0.00 N ATOM 843 CA GLY A 58 20.468 17.558 12.432 1.00 0.00 C ATOM 844 C GLY A 58 21.849 17.893 12.962 1.00 0.00 C ATOM 845 O GLY A 58 22.856 17.443 12.416 1.00 0.00 O ATOM 0 H GLY A 58 21.340 16.136 11.163 1.00 0.00 H new ATOM 0 HA2 GLY A 58 20.102 18.389 11.830 1.00 0.00 H new ATOM 0 HA3 GLY A 58 19.779 17.443 13.269 1.00 0.00 H new ATOM 849 N SER A 59 21.895 18.685 14.028 1.00 0.00 N ATOM 850 CA SER A 59 23.163 19.084 14.628 1.00 0.00 C ATOM 851 C SER A 59 23.514 18.181 15.807 1.00 0.00 C ATOM 852 O SER A 59 22.741 18.051 16.755 1.00 0.00 O ATOM 853 CB SER A 59 23.096 20.541 15.090 1.00 0.00 C ATOM 854 OG SER A 59 24.324 20.950 15.669 1.00 0.00 O ATOM 0 H SER A 59 21.070 19.063 14.494 1.00 0.00 H new ATOM 0 HA SER A 59 23.942 18.985 13.872 1.00 0.00 H new ATOM 0 HB2 SER A 59 22.858 21.184 14.243 1.00 0.00 H new ATOM 0 HB3 SER A 59 22.291 20.659 15.816 1.00 0.00 H new ATOM 0 HG SER A 59 24.256 21.885 15.954 1.00 0.00 H new ATOM 860 N GLY A 60 24.686 17.558 15.738 1.00 0.00 N ATOM 861 CA GLY A 60 25.121 16.675 16.804 1.00 0.00 C ATOM 862 C GLY A 60 25.812 15.431 16.281 1.00 0.00 C ATOM 863 O GLY A 60 27.001 15.445 15.960 1.00 0.00 O ATOM 0 H GLY A 60 25.342 17.649 14.963 1.00 0.00 H new ATOM 0 HA2 GLY A 60 25.801 17.214 17.464 1.00 0.00 H new ATOM 0 HA3 GLY A 60 24.259 16.383 17.404 1.00 0.00 H new ATOM 867 N PRO A 61 25.061 14.324 16.192 1.00 0.00 N ATOM 868 CA PRO A 61 25.588 13.046 15.706 1.00 0.00 C ATOM 869 C PRO A 61 25.896 13.076 14.213 1.00 0.00 C ATOM 870 O PRO A 61 25.180 13.706 13.435 1.00 0.00 O ATOM 871 CB PRO A 61 24.455 12.060 15.999 1.00 0.00 C ATOM 872 CG PRO A 61 23.222 12.895 16.018 1.00 0.00 C ATOM 873 CD PRO A 61 23.637 14.235 16.558 1.00 0.00 C ATOM 0 HA PRO A 61 26.532 12.786 16.185 1.00 0.00 H new ATOM 0 HB2 PRO A 61 24.397 11.285 15.234 1.00 0.00 H new ATOM 0 HB3 PRO A 61 24.606 11.555 16.953 1.00 0.00 H new ATOM 0 HG2 PRO A 61 22.801 12.991 15.017 1.00 0.00 H new ATOM 0 HG3 PRO A 61 22.454 12.442 16.645 1.00 0.00 H new ATOM 0 HD2 PRO A 61 23.057 15.044 16.115 1.00 0.00 H new ATOM 0 HD3 PRO A 61 23.495 14.295 17.637 1.00 0.00 H new ATOM 881 N SER A 62 26.965 12.390 13.820 1.00 0.00 N ATOM 882 CA SER A 62 27.369 12.341 12.420 1.00 0.00 C ATOM 883 C SER A 62 27.719 10.915 12.005 1.00 0.00 C ATOM 884 O SER A 62 28.201 10.122 12.814 1.00 0.00 O ATOM 885 CB SER A 62 28.566 13.263 12.180 1.00 0.00 C ATOM 886 OG SER A 62 29.763 12.682 12.668 1.00 0.00 O ATOM 0 H SER A 62 27.566 11.861 14.451 1.00 0.00 H new ATOM 0 HA SER A 62 26.530 12.682 11.813 1.00 0.00 H new ATOM 0 HB2 SER A 62 28.665 13.466 11.114 1.00 0.00 H new ATOM 0 HB3 SER A 62 28.396 14.221 12.672 1.00 0.00 H new ATOM 0 HG SER A 62 30.513 13.290 12.501 1.00 0.00 H new ATOM 892 N SER A 63 27.473 10.597 10.738 1.00 0.00 N ATOM 893 CA SER A 63 27.759 9.266 10.215 1.00 0.00 C ATOM 894 C SER A 63 28.964 9.296 9.280 1.00 0.00 C ATOM 895 O SER A 63 29.199 10.283 8.584 1.00 0.00 O ATOM 896 CB SER A 63 26.539 8.713 9.475 1.00 0.00 C ATOM 897 OG SER A 63 25.404 8.672 10.323 1.00 0.00 O ATOM 0 H SER A 63 27.076 11.242 10.055 1.00 0.00 H new ATOM 0 HA SER A 63 27.991 8.614 11.057 1.00 0.00 H new ATOM 0 HB2 SER A 63 26.325 9.334 8.605 1.00 0.00 H new ATOM 0 HB3 SER A 63 26.757 7.711 9.105 1.00 0.00 H new ATOM 0 HG SER A 63 24.637 8.317 9.827 1.00 0.00 H new ATOM 903 N GLY A 64 29.726 8.206 9.271 1.00 0.00 N ATOM 904 CA GLY A 64 30.898 8.128 8.419 1.00 0.00 C ATOM 905 C GLY A 64 30.618 8.595 7.004 1.00 0.00 C ATOM 906 O GLY A 64 29.589 8.222 6.443 1.00 0.00 O ATOM 0 H GLY A 64 29.552 7.376 9.838 1.00 0.00 H new ATOM 0 HA2 GLY A 64 31.696 8.735 8.847 1.00 0.00 H new ATOM 0 HA3 GLY A 64 31.258 7.099 8.394 1.00 0.00 H new TER 910 GLY A 64 HETATM 911 ZN ZN A 200 3.562 -7.872 -1.578 1.00 0.00 ZN HETATM 912 ZN ZN A 400 8.866 2.991 2.676 1.00 0.00 ZN