USER MOD reduce.3.24.130724 H: found=0, std=0, add=441, rem=0, adj=16 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 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= -0.409 K(o=-0.41,f=-1.3) USER MOD Single : A 16 ASN : amide:sc= -1.14 K(o=-1.1,f=-6.5!) USER MOD Single : A 20 SER OG : rot -140:sc= -0.339 USER MOD Single : A 22 ASN : amide:sc= -2.32 K(o=-2.3,f=-6.6!) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.022) USER MOD Single : A 28 MET CE :methyl 154:sc= -0.0246 (180deg=-1.3) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 SER OG : rot 76:sc= 1.39 USER MOD Single : A 37 THR OG1 : rot -139:sc=0.000699 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 63 SER OG : rot 28:sc= 0.653 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -25.912 25.543 -13.603 1.00 0.00 N ATOM 2 CA GLY A 1 -26.268 24.557 -12.600 1.00 0.00 C ATOM 3 C GLY A 1 -26.595 23.207 -13.205 1.00 0.00 C ATOM 4 O GLY A 1 -27.756 22.913 -13.493 1.00 0.00 O ATOM 0 H1 GLY A 1 -25.697 26.449 -13.139 1.00 0.00 H new ATOM 0 H2 GLY A 1 -25.076 25.217 -14.129 1.00 0.00 H new ATOM 0 H3 GLY A 1 -26.707 25.671 -14.261 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -25.444 24.446 -11.896 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -27.127 24.915 -12.032 1.00 0.00 H new ATOM 8 N SER A 2 -25.571 22.383 -13.399 1.00 0.00 N ATOM 9 CA SER A 2 -25.755 21.057 -13.979 1.00 0.00 C ATOM 10 C SER A 2 -25.816 19.991 -12.889 1.00 0.00 C ATOM 11 O SER A 2 -24.895 19.857 -12.083 1.00 0.00 O ATOM 12 CB SER A 2 -24.618 20.741 -14.953 1.00 0.00 C ATOM 13 OG SER A 2 -24.761 21.474 -16.158 1.00 0.00 O ATOM 0 H SER A 2 -24.605 22.610 -13.163 1.00 0.00 H new ATOM 0 HA SER A 2 -26.701 21.053 -14.521 1.00 0.00 H new ATOM 0 HB2 SER A 2 -23.661 20.980 -14.490 1.00 0.00 H new ATOM 0 HB3 SER A 2 -24.608 19.673 -15.172 1.00 0.00 H new ATOM 0 HG SER A 2 -24.022 21.256 -16.763 1.00 0.00 H new ATOM 19 N SER A 3 -26.910 19.235 -12.871 1.00 0.00 N ATOM 20 CA SER A 3 -27.095 18.183 -11.878 1.00 0.00 C ATOM 21 C SER A 3 -26.525 16.859 -12.377 1.00 0.00 C ATOM 22 O SER A 3 -26.424 16.628 -13.581 1.00 0.00 O ATOM 23 CB SER A 3 -28.580 18.020 -11.548 1.00 0.00 C ATOM 24 OG SER A 3 -29.152 19.252 -11.146 1.00 0.00 O ATOM 0 H SER A 3 -27.681 19.332 -13.532 1.00 0.00 H new ATOM 0 HA SER A 3 -26.559 18.472 -10.974 1.00 0.00 H new ATOM 0 HB2 SER A 3 -29.110 17.637 -12.420 1.00 0.00 H new ATOM 0 HB3 SER A 3 -28.700 17.283 -10.754 1.00 0.00 H new ATOM 0 HG SER A 3 -30.102 19.121 -10.943 1.00 0.00 H new ATOM 30 N GLY A 4 -26.152 15.992 -11.440 1.00 0.00 N ATOM 31 CA GLY A 4 -25.596 14.701 -11.803 1.00 0.00 C ATOM 32 C GLY A 4 -24.231 14.464 -11.188 1.00 0.00 C ATOM 33 O GLY A 4 -23.247 14.269 -11.901 1.00 0.00 O ATOM 0 H GLY A 4 -26.225 16.160 -10.437 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -26.277 13.913 -11.483 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -25.519 14.634 -12.888 1.00 0.00 H new ATOM 37 N SER A 5 -24.172 14.482 -9.860 1.00 0.00 N ATOM 38 CA SER A 5 -22.916 14.273 -9.149 1.00 0.00 C ATOM 39 C SER A 5 -22.132 13.115 -9.759 1.00 0.00 C ATOM 40 O SER A 5 -22.691 12.057 -10.048 1.00 0.00 O ATOM 41 CB SER A 5 -23.184 13.998 -7.668 1.00 0.00 C ATOM 42 OG SER A 5 -21.979 13.730 -6.972 1.00 0.00 O ATOM 0 H SER A 5 -24.978 14.639 -9.255 1.00 0.00 H new ATOM 0 HA SER A 5 -22.320 15.181 -9.241 1.00 0.00 H new ATOM 0 HB2 SER A 5 -23.683 14.857 -7.220 1.00 0.00 H new ATOM 0 HB3 SER A 5 -23.861 13.149 -7.569 1.00 0.00 H new ATOM 0 HG SER A 5 -22.178 13.559 -6.028 1.00 0.00 H new ATOM 48 N SER A 6 -20.834 13.324 -9.952 1.00 0.00 N ATOM 49 CA SER A 6 -19.973 12.300 -10.532 1.00 0.00 C ATOM 50 C SER A 6 -19.371 11.417 -9.443 1.00 0.00 C ATOM 51 O SER A 6 -18.788 11.911 -8.479 1.00 0.00 O ATOM 52 CB SER A 6 -18.856 12.948 -11.353 1.00 0.00 C ATOM 53 OG SER A 6 -19.288 13.218 -12.676 1.00 0.00 O ATOM 0 H SER A 6 -20.355 14.193 -9.715 1.00 0.00 H new ATOM 0 HA SER A 6 -20.582 11.677 -11.187 1.00 0.00 H new ATOM 0 HB2 SER A 6 -18.539 13.874 -10.874 1.00 0.00 H new ATOM 0 HB3 SER A 6 -17.989 12.288 -11.378 1.00 0.00 H new ATOM 0 HG SER A 6 -18.558 13.633 -13.180 1.00 0.00 H new ATOM 59 N GLY A 7 -19.518 10.105 -9.605 1.00 0.00 N ATOM 60 CA GLY A 7 -18.984 9.173 -8.630 1.00 0.00 C ATOM 61 C GLY A 7 -17.665 8.567 -9.067 1.00 0.00 C ATOM 62 O GLY A 7 -17.376 8.450 -10.258 1.00 0.00 O ATOM 0 H GLY A 7 -19.997 9.672 -10.394 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -18.846 9.687 -7.679 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -19.708 8.376 -8.460 1.00 0.00 H new ATOM 66 N PRO A 8 -16.838 8.172 -8.088 1.00 0.00 N ATOM 67 CA PRO A 8 -15.528 7.570 -8.354 1.00 0.00 C ATOM 68 C PRO A 8 -15.643 6.173 -8.955 1.00 0.00 C ATOM 69 O PRO A 8 -16.731 5.602 -9.018 1.00 0.00 O ATOM 70 CB PRO A 8 -14.880 7.505 -6.969 1.00 0.00 C ATOM 71 CG PRO A 8 -16.025 7.463 -6.017 1.00 0.00 C ATOM 72 CD PRO A 8 -17.117 8.282 -6.647 1.00 0.00 C ATOM 0 HA PRO A 8 -14.955 8.145 -9.081 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -14.249 6.622 -6.868 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -14.246 8.373 -6.787 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -16.354 6.438 -5.848 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -15.741 7.871 -5.047 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -18.105 7.894 -6.398 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -17.087 9.318 -6.310 1.00 0.00 H new ATOM 80 N SER A 9 -14.513 5.628 -9.394 1.00 0.00 N ATOM 81 CA SER A 9 -14.488 4.299 -9.993 1.00 0.00 C ATOM 82 C SER A 9 -14.231 3.231 -8.934 1.00 0.00 C ATOM 83 O SER A 9 -14.922 2.213 -8.883 1.00 0.00 O ATOM 84 CB SER A 9 -13.413 4.226 -11.079 1.00 0.00 C ATOM 85 OG SER A 9 -13.725 5.082 -12.164 1.00 0.00 O ATOM 0 H SER A 9 -13.603 6.086 -9.346 1.00 0.00 H new ATOM 0 HA SER A 9 -15.463 4.112 -10.444 1.00 0.00 H new ATOM 0 HB2 SER A 9 -12.447 4.505 -10.658 1.00 0.00 H new ATOM 0 HB3 SER A 9 -13.321 3.200 -11.436 1.00 0.00 H new ATOM 0 HG SER A 9 -13.022 5.018 -12.844 1.00 0.00 H new ATOM 91 N ARG A 10 -13.232 3.471 -8.091 1.00 0.00 N ATOM 92 CA ARG A 10 -12.882 2.530 -7.034 1.00 0.00 C ATOM 93 C ARG A 10 -13.990 2.451 -5.987 1.00 0.00 C ATOM 94 O ARG A 10 -14.592 3.456 -5.608 1.00 0.00 O ATOM 95 CB ARG A 10 -11.567 2.942 -6.370 1.00 0.00 C ATOM 96 CG ARG A 10 -11.487 2.574 -4.897 1.00 0.00 C ATOM 97 CD ARG A 10 -10.052 2.312 -4.466 1.00 0.00 C ATOM 98 NE ARG A 10 -9.345 3.546 -4.138 1.00 0.00 N ATOM 99 CZ ARG A 10 -8.237 3.586 -3.405 1.00 0.00 C ATOM 100 NH1 ARG A 10 -7.713 2.466 -2.929 1.00 0.00 N ATOM 101 NH2 ARG A 10 -7.651 4.749 -3.149 1.00 0.00 N ATOM 0 H ARG A 10 -12.651 4.309 -8.119 1.00 0.00 H new ATOM 0 HA ARG A 10 -12.761 1.545 -7.485 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -10.739 2.470 -6.899 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -11.439 4.019 -6.474 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -11.907 3.380 -4.296 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -12.092 1.687 -4.709 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -10.049 1.651 -3.599 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -9.523 1.792 -5.265 1.00 0.00 H new ATOM 0 HE ARG A 10 -9.722 4.426 -4.491 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -8.160 1.570 -3.125 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -6.863 2.499 -2.367 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -8.051 5.613 -3.515 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -6.801 4.779 -2.586 1.00 0.00 H new ATOM 115 N PRO A 11 -14.267 1.229 -5.509 1.00 0.00 N ATOM 116 CA PRO A 11 -15.303 0.990 -4.500 1.00 0.00 C ATOM 117 C PRO A 11 -14.920 1.546 -3.133 1.00 0.00 C ATOM 118 O PRO A 11 -13.960 2.306 -3.007 1.00 0.00 O ATOM 119 CB PRO A 11 -15.402 -0.537 -4.448 1.00 0.00 C ATOM 120 CG PRO A 11 -14.068 -1.018 -4.905 1.00 0.00 C ATOM 121 CD PRO A 11 -13.589 -0.013 -5.916 1.00 0.00 C ATOM 0 HA PRO A 11 -16.241 1.483 -4.754 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -15.624 -0.885 -3.439 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -16.199 -0.905 -5.095 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -13.373 -1.092 -4.069 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -14.142 -2.012 -5.347 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -12.505 0.095 -5.893 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -13.859 -0.304 -6.931 1.00 0.00 H new ATOM 129 N VAL A 12 -15.677 1.161 -2.110 1.00 0.00 N ATOM 130 CA VAL A 12 -15.416 1.620 -0.751 1.00 0.00 C ATOM 131 C VAL A 12 -14.305 0.805 -0.099 1.00 0.00 C ATOM 132 O VAL A 12 -14.453 0.321 1.023 1.00 0.00 O ATOM 133 CB VAL A 12 -16.681 1.534 0.123 1.00 0.00 C ATOM 134 CG1 VAL A 12 -17.765 2.457 -0.413 1.00 0.00 C ATOM 135 CG2 VAL A 12 -17.180 0.099 0.198 1.00 0.00 C ATOM 0 H VAL A 12 -16.476 0.533 -2.197 1.00 0.00 H new ATOM 0 HA VAL A 12 -15.103 2.662 -0.824 1.00 0.00 H new ATOM 0 HB VAL A 12 -16.427 1.859 1.132 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -18.651 2.382 0.218 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -17.402 3.485 -0.409 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -18.020 2.166 -1.432 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -18.074 0.057 0.820 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -17.418 -0.256 -0.805 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -16.406 -0.533 0.633 1.00 0.00 H new ATOM 145 N ARG A 13 -13.193 0.656 -0.811 1.00 0.00 N ATOM 146 CA ARG A 13 -12.056 -0.102 -0.303 1.00 0.00 C ATOM 147 C ARG A 13 -10.888 0.824 0.025 1.00 0.00 C ATOM 148 O ARG A 13 -10.431 1.606 -0.809 1.00 0.00 O ATOM 149 CB ARG A 13 -11.617 -1.151 -1.325 1.00 0.00 C ATOM 150 CG ARG A 13 -12.743 -2.064 -1.783 1.00 0.00 C ATOM 151 CD ARG A 13 -13.176 -3.013 -0.676 1.00 0.00 C ATOM 152 NE ARG A 13 -12.373 -4.232 -0.655 1.00 0.00 N ATOM 153 CZ ARG A 13 -12.440 -5.173 -1.591 1.00 0.00 C ATOM 154 NH1 ARG A 13 -13.269 -5.034 -2.616 1.00 0.00 N ATOM 155 NH2 ARG A 13 -11.677 -6.254 -1.502 1.00 0.00 N ATOM 0 H ARG A 13 -13.055 1.050 -1.742 1.00 0.00 H new ATOM 0 HA ARG A 13 -12.367 -0.605 0.613 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -11.195 -0.645 -2.193 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -10.822 -1.758 -0.892 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -13.594 -1.462 -2.101 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -12.417 -2.639 -2.650 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -13.094 -2.508 0.287 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -14.226 -3.273 -0.811 1.00 0.00 H new ATOM 0 HE ARG A 13 -11.725 -4.369 0.121 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -13.857 -4.204 -2.687 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -13.319 -5.757 -3.333 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -11.038 -6.364 -0.715 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -11.729 -6.976 -2.221 1.00 0.00 H new ATOM 169 N PRO A 14 -10.393 0.736 1.268 1.00 0.00 N ATOM 170 CA PRO A 14 -9.272 1.558 1.734 1.00 0.00 C ATOM 171 C PRO A 14 -7.953 1.167 1.076 1.00 0.00 C ATOM 172 O PRO A 14 -7.938 0.475 0.059 1.00 0.00 O ATOM 173 CB PRO A 14 -9.224 1.273 3.238 1.00 0.00 C ATOM 174 CG PRO A 14 -9.839 -0.076 3.387 1.00 0.00 C ATOM 175 CD PRO A 14 -10.888 -0.174 2.314 1.00 0.00 C ATOM 0 HA PRO A 14 -9.410 2.611 1.490 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -8.200 1.285 3.611 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -9.777 2.025 3.801 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -9.091 -0.861 3.274 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -10.280 -0.197 4.376 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -10.990 -1.194 1.944 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -11.868 0.131 2.681 1.00 0.00 H new ATOM 183 N ASN A 15 -6.848 1.616 1.663 1.00 0.00 N ATOM 184 CA ASN A 15 -5.524 1.313 1.132 1.00 0.00 C ATOM 185 C ASN A 15 -5.113 -0.115 1.479 1.00 0.00 C ATOM 186 O ASN A 15 -4.043 -0.344 2.042 1.00 0.00 O ATOM 187 CB ASN A 15 -4.493 2.301 1.682 1.00 0.00 C ATOM 188 CG ASN A 15 -4.806 2.732 3.102 1.00 0.00 C ATOM 189 OD1 ASN A 15 -5.157 1.911 3.949 1.00 0.00 O ATOM 190 ND2 ASN A 15 -4.681 4.028 3.368 1.00 0.00 N ATOM 0 H ASN A 15 -6.843 2.190 2.506 1.00 0.00 H new ATOM 0 HA ASN A 15 -5.564 1.407 0.047 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -3.504 1.843 1.654 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -4.456 3.180 1.038 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -4.879 4.378 4.306 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -4.387 4.673 2.635 1.00 0.00 H new ATOM 197 N ASN A 16 -5.970 -1.071 1.138 1.00 0.00 N ATOM 198 CA ASN A 16 -5.696 -2.477 1.413 1.00 0.00 C ATOM 199 C ASN A 16 -5.071 -3.157 0.198 1.00 0.00 C ATOM 200 O ASN A 16 -5.747 -3.871 -0.542 1.00 0.00 O ATOM 201 CB ASN A 16 -6.984 -3.201 1.810 1.00 0.00 C ATOM 202 CG ASN A 16 -8.189 -2.703 1.036 1.00 0.00 C ATOM 203 OD1 ASN A 16 -8.051 -2.075 -0.014 1.00 0.00 O ATOM 204 ND2 ASN A 16 -9.381 -2.982 1.553 1.00 0.00 N ATOM 0 H ASN A 16 -6.860 -0.898 0.671 1.00 0.00 H new ATOM 0 HA ASN A 16 -4.988 -2.529 2.240 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -6.863 -4.271 1.640 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -7.160 -3.065 2.877 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -10.228 -2.673 1.077 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -9.448 -3.505 2.426 1.00 0.00 H new ATOM 211 N ARG A 17 -3.777 -2.930 0.001 1.00 0.00 N ATOM 212 CA ARG A 17 -3.060 -3.520 -1.123 1.00 0.00 C ATOM 213 C ARG A 17 -1.553 -3.344 -0.961 1.00 0.00 C ATOM 214 O ARG A 17 -1.096 -2.490 -0.201 1.00 0.00 O ATOM 215 CB ARG A 17 -3.520 -2.886 -2.438 1.00 0.00 C ATOM 216 CG ARG A 17 -4.723 -3.577 -3.059 1.00 0.00 C ATOM 217 CD ARG A 17 -4.879 -3.211 -4.527 1.00 0.00 C ATOM 218 NE ARG A 17 -6.279 -3.204 -4.943 1.00 0.00 N ATOM 219 CZ ARG A 17 -6.678 -3.457 -6.184 1.00 0.00 C ATOM 220 NH1 ARG A 17 -5.787 -3.735 -7.126 1.00 0.00 N ATOM 221 NH2 ARG A 17 -7.970 -3.432 -6.486 1.00 0.00 N ATOM 0 H ARG A 17 -3.203 -2.342 0.605 1.00 0.00 H new ATOM 0 HA ARG A 17 -3.283 -4.587 -1.144 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -3.765 -1.839 -2.261 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -2.694 -2.904 -3.149 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -4.614 -4.657 -2.962 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -5.625 -3.298 -2.515 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -4.443 -2.228 -4.704 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -4.322 -3.921 -5.139 1.00 0.00 H new ATOM 0 HE ARG A 17 -6.989 -2.993 -4.242 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -4.793 -3.755 -6.898 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -6.096 -3.929 -8.079 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -8.658 -3.218 -5.764 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -8.275 -3.627 -7.440 1.00 0.00 H new ATOM 235 N CYS A 18 -0.787 -4.157 -1.680 1.00 0.00 N ATOM 236 CA CYS A 18 0.668 -4.093 -1.615 1.00 0.00 C ATOM 237 C CYS A 18 1.218 -3.146 -2.678 1.00 0.00 C ATOM 238 O CYS A 18 0.827 -3.209 -3.844 1.00 0.00 O ATOM 239 CB CYS A 18 1.270 -5.487 -1.798 1.00 0.00 C ATOM 240 SG CYS A 18 3.068 -5.565 -1.514 1.00 0.00 S ATOM 0 H CYS A 18 -1.150 -4.868 -2.315 1.00 0.00 H new ATOM 0 HA CYS A 18 0.946 -3.711 -0.633 1.00 0.00 H new ATOM 0 HB2 CYS A 18 0.775 -6.177 -1.115 1.00 0.00 H new ATOM 0 HB3 CYS A 18 1.058 -5.833 -2.810 1.00 0.00 H new ATOM 245 N PHE A 19 2.129 -2.269 -2.268 1.00 0.00 N ATOM 246 CA PHE A 19 2.732 -1.309 -3.184 1.00 0.00 C ATOM 247 C PHE A 19 3.877 -1.948 -3.965 1.00 0.00 C ATOM 248 O PHE A 19 4.777 -1.258 -4.445 1.00 0.00 O ATOM 249 CB PHE A 19 3.244 -0.089 -2.414 1.00 0.00 C ATOM 250 CG PHE A 19 3.597 1.073 -3.298 1.00 0.00 C ATOM 251 CD1 PHE A 19 2.608 1.900 -3.805 1.00 0.00 C ATOM 252 CD2 PHE A 19 4.918 1.338 -3.620 1.00 0.00 C ATOM 253 CE1 PHE A 19 2.930 2.970 -4.619 1.00 0.00 C ATOM 254 CE2 PHE A 19 5.246 2.407 -4.433 1.00 0.00 C ATOM 255 CZ PHE A 19 4.251 3.224 -4.932 1.00 0.00 C ATOM 0 H PHE A 19 2.465 -2.204 -1.307 1.00 0.00 H new ATOM 0 HA PHE A 19 1.967 -0.989 -3.891 1.00 0.00 H new ATOM 0 HB2 PHE A 19 2.483 0.226 -1.700 1.00 0.00 H new ATOM 0 HB3 PHE A 19 4.123 -0.376 -1.837 1.00 0.00 H new ATOM 0 HD1 PHE A 19 1.574 1.707 -3.562 1.00 0.00 H new ATOM 0 HD2 PHE A 19 5.700 0.703 -3.232 1.00 0.00 H new ATOM 0 HE1 PHE A 19 2.150 3.606 -5.010 1.00 0.00 H new ATOM 0 HE2 PHE A 19 6.280 2.603 -4.678 1.00 0.00 H new ATOM 0 HZ PHE A 19 4.505 4.060 -5.566 1.00 0.00 H new ATOM 265 N SER A 20 3.836 -3.270 -4.088 1.00 0.00 N ATOM 266 CA SER A 20 4.871 -4.004 -4.806 1.00 0.00 C ATOM 267 C SER A 20 4.253 -5.018 -5.765 1.00 0.00 C ATOM 268 O SER A 20 4.716 -5.186 -6.893 1.00 0.00 O ATOM 269 CB SER A 20 5.798 -4.717 -3.820 1.00 0.00 C ATOM 270 OG SER A 20 6.895 -3.893 -3.464 1.00 0.00 O ATOM 0 H SER A 20 3.097 -3.855 -3.699 1.00 0.00 H new ATOM 0 HA SER A 20 5.452 -3.288 -5.387 1.00 0.00 H new ATOM 0 HB2 SER A 20 5.240 -4.992 -2.925 1.00 0.00 H new ATOM 0 HB3 SER A 20 6.164 -5.643 -4.264 1.00 0.00 H new ATOM 0 HG SER A 20 7.709 -4.436 -3.414 1.00 0.00 H new ATOM 276 N CYS A 21 3.203 -5.691 -5.307 1.00 0.00 N ATOM 277 CA CYS A 21 2.520 -6.689 -6.121 1.00 0.00 C ATOM 278 C CYS A 21 1.047 -6.332 -6.297 1.00 0.00 C ATOM 279 O CYS A 21 0.353 -6.910 -7.131 1.00 0.00 O ATOM 280 CB CYS A 21 2.647 -8.073 -5.481 1.00 0.00 C ATOM 281 SG CYS A 21 2.276 -8.106 -3.698 1.00 0.00 S ATOM 0 H CYS A 21 2.806 -5.563 -4.376 1.00 0.00 H new ATOM 0 HA CYS A 21 2.992 -6.705 -7.103 1.00 0.00 H new ATOM 0 HB2 CYS A 21 1.975 -8.761 -5.994 1.00 0.00 H new ATOM 0 HB3 CYS A 21 3.661 -8.442 -5.637 1.00 0.00 H new ATOM 286 N ASN A 22 0.577 -5.374 -5.504 1.00 0.00 N ATOM 287 CA ASN A 22 -0.813 -4.939 -5.571 1.00 0.00 C ATOM 288 C ASN A 22 -1.739 -5.976 -4.942 1.00 0.00 C ATOM 289 O ASN A 22 -2.922 -6.052 -5.275 1.00 0.00 O ATOM 290 CB ASN A 22 -1.221 -4.690 -7.025 1.00 0.00 C ATOM 291 CG ASN A 22 -2.203 -3.542 -7.161 1.00 0.00 C ATOM 292 OD1 ASN A 22 -2.659 -2.979 -6.166 1.00 0.00 O ATOM 293 ND2 ASN A 22 -2.534 -3.191 -8.398 1.00 0.00 N ATOM 0 H ASN A 22 1.139 -4.884 -4.808 1.00 0.00 H new ATOM 0 HA ASN A 22 -0.904 -4.009 -5.010 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -0.332 -4.476 -7.618 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -1.667 -5.596 -7.435 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -3.191 -2.426 -8.553 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -2.131 -3.686 -9.194 1.00 0.00 H new ATOM 300 N LYS A 23 -1.192 -6.772 -4.030 1.00 0.00 N ATOM 301 CA LYS A 23 -1.968 -7.804 -3.351 1.00 0.00 C ATOM 302 C LYS A 23 -2.755 -7.214 -2.185 1.00 0.00 C ATOM 303 O LYS A 23 -2.177 -6.772 -1.192 1.00 0.00 O ATOM 304 CB LYS A 23 -1.045 -8.915 -2.846 1.00 0.00 C ATOM 305 CG LYS A 23 -1.563 -9.618 -1.603 1.00 0.00 C ATOM 306 CD LYS A 23 -0.904 -10.974 -1.414 1.00 0.00 C ATOM 307 CE LYS A 23 -0.776 -11.331 0.059 1.00 0.00 C ATOM 308 NZ LYS A 23 -0.831 -12.803 0.279 1.00 0.00 N ATOM 0 H LYS A 23 -0.214 -6.723 -3.744 1.00 0.00 H new ATOM 0 HA LYS A 23 -2.674 -8.224 -4.068 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -0.908 -9.650 -3.639 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -0.064 -8.491 -2.631 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -1.376 -8.996 -0.728 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -2.643 -9.745 -1.679 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -1.489 -11.738 -1.925 1.00 0.00 H new ATOM 0 HD3 LYS A 23 0.084 -10.967 -1.875 1.00 0.00 H new ATOM 0 HE2 LYS A 23 0.165 -10.941 0.447 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -1.577 -10.850 0.620 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -0.740 -13.006 1.295 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -1.739 -13.172 -0.068 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -0.052 -13.260 -0.236 1.00 0.00 H new ATOM 322 N LYS A 24 -4.078 -7.211 -2.313 1.00 0.00 N ATOM 323 CA LYS A 24 -4.946 -6.678 -1.269 1.00 0.00 C ATOM 324 C LYS A 24 -4.509 -7.171 0.107 1.00 0.00 C ATOM 325 O LYS A 24 -4.622 -8.356 0.418 1.00 0.00 O ATOM 326 CB LYS A 24 -6.399 -7.084 -1.529 1.00 0.00 C ATOM 327 CG LYS A 24 -6.660 -8.568 -1.337 1.00 0.00 C ATOM 328 CD LYS A 24 -7.987 -8.984 -1.949 1.00 0.00 C ATOM 329 CE LYS A 24 -8.269 -10.461 -1.717 1.00 0.00 C ATOM 330 NZ LYS A 24 -7.361 -11.331 -2.514 1.00 0.00 N ATOM 0 H LYS A 24 -4.572 -7.572 -3.129 1.00 0.00 H new ATOM 0 HA LYS A 24 -4.869 -5.591 -1.288 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -7.050 -6.520 -0.861 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -6.669 -6.805 -2.548 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -5.853 -9.142 -1.792 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -6.659 -8.804 -0.273 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -8.791 -8.387 -1.518 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -7.976 -8.778 -3.019 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -8.154 -10.691 -0.658 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -9.304 -10.679 -1.980 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -7.640 -12.326 -2.394 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -7.426 -11.072 -3.519 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -6.382 -11.204 -2.186 1.00 0.00 H new ATOM 344 N VAL A 25 -4.010 -6.252 0.928 1.00 0.00 N ATOM 345 CA VAL A 25 -3.558 -6.592 2.272 1.00 0.00 C ATOM 346 C VAL A 25 -4.645 -6.317 3.304 1.00 0.00 C ATOM 347 O VAL A 25 -4.369 -6.206 4.497 1.00 0.00 O ATOM 348 CB VAL A 25 -2.291 -5.804 2.654 1.00 0.00 C ATOM 349 CG1 VAL A 25 -1.104 -6.264 1.821 1.00 0.00 C ATOM 350 CG2 VAL A 25 -2.523 -4.310 2.488 1.00 0.00 C ATOM 0 H VAL A 25 -3.909 -5.266 0.686 1.00 0.00 H new ATOM 0 HA VAL A 25 -3.327 -7.657 2.268 1.00 0.00 H new ATOM 0 HB VAL A 25 -2.065 -5.999 3.702 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -0.218 -5.696 2.105 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -0.926 -7.325 1.996 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -1.316 -6.101 0.764 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -1.618 -3.769 2.762 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -2.775 -4.094 1.450 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -3.343 -3.995 3.133 1.00 0.00 H new ATOM 360 N GLY A 26 -5.885 -6.207 2.835 1.00 0.00 N ATOM 361 CA GLY A 26 -6.996 -5.946 3.730 1.00 0.00 C ATOM 362 C GLY A 26 -6.639 -4.962 4.826 1.00 0.00 C ATOM 363 O GLY A 26 -6.010 -3.936 4.569 1.00 0.00 O ATOM 0 H GLY A 26 -6.139 -6.294 1.851 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -7.837 -5.557 3.156 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -7.324 -6.883 4.180 1.00 0.00 H new ATOM 367 N VAL A 27 -7.042 -5.275 6.054 1.00 0.00 N ATOM 368 CA VAL A 27 -6.760 -4.410 7.194 1.00 0.00 C ATOM 369 C VAL A 27 -5.621 -4.969 8.040 1.00 0.00 C ATOM 370 O VAL A 27 -5.545 -4.716 9.241 1.00 0.00 O ATOM 371 CB VAL A 27 -8.005 -4.231 8.083 1.00 0.00 C ATOM 372 CG1 VAL A 27 -9.124 -3.556 7.306 1.00 0.00 C ATOM 373 CG2 VAL A 27 -8.462 -5.573 8.636 1.00 0.00 C ATOM 0 H VAL A 27 -7.564 -6.120 6.285 1.00 0.00 H new ATOM 0 HA VAL A 27 -6.467 -3.440 6.791 1.00 0.00 H new ATOM 0 HB VAL A 27 -7.741 -3.589 8.923 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -9.995 -3.438 7.951 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -8.790 -2.576 6.964 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -9.390 -4.169 6.445 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -9.343 -5.428 9.262 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -8.709 -6.241 7.811 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -7.662 -6.013 9.232 1.00 0.00 H new ATOM 383 N MET A 28 -4.737 -5.730 7.403 1.00 0.00 N ATOM 384 CA MET A 28 -3.600 -6.324 8.097 1.00 0.00 C ATOM 385 C MET A 28 -2.318 -6.147 7.290 1.00 0.00 C ATOM 386 O MET A 28 -1.480 -7.045 7.232 1.00 0.00 O ATOM 387 CB MET A 28 -3.853 -7.811 8.355 1.00 0.00 C ATOM 388 CG MET A 28 -5.059 -8.078 9.240 1.00 0.00 C ATOM 389 SD MET A 28 -4.753 -7.672 10.971 1.00 0.00 S ATOM 390 CE MET A 28 -6.379 -7.120 11.481 1.00 0.00 C ATOM 0 H MET A 28 -4.786 -5.950 6.408 1.00 0.00 H new ATOM 0 HA MET A 28 -3.481 -5.812 9.052 1.00 0.00 H new ATOM 0 HB2 MET A 28 -3.994 -8.318 7.400 1.00 0.00 H new ATOM 0 HB3 MET A 28 -2.968 -8.246 8.820 1.00 0.00 H new ATOM 0 HG2 MET A 28 -5.906 -7.496 8.878 1.00 0.00 H new ATOM 0 HG3 MET A 28 -5.338 -9.129 9.161 1.00 0.00 H new ATOM 0 HE1 MET A 28 -6.495 -7.272 12.554 1.00 0.00 H new ATOM 0 HE2 MET A 28 -6.492 -6.061 11.251 1.00 0.00 H new ATOM 0 HE3 MET A 28 -7.140 -7.691 10.949 1.00 0.00 H new ATOM 400 N GLY A 29 -2.172 -4.981 6.667 1.00 0.00 N ATOM 401 CA GLY A 29 -0.990 -4.708 5.872 1.00 0.00 C ATOM 402 C GLY A 29 0.084 -3.983 6.659 1.00 0.00 C ATOM 403 O GLY A 29 -0.143 -3.569 7.796 1.00 0.00 O ATOM 0 H GLY A 29 -2.852 -4.221 6.699 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -0.587 -5.647 5.492 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -1.269 -4.108 5.006 1.00 0.00 H new ATOM 407 N PHE A 30 1.257 -3.829 6.054 1.00 0.00 N ATOM 408 CA PHE A 30 2.371 -3.151 6.707 1.00 0.00 C ATOM 409 C PHE A 30 2.601 -1.772 6.096 1.00 0.00 C ATOM 410 O PHE A 30 3.200 -1.644 5.028 1.00 0.00 O ATOM 411 CB PHE A 30 3.645 -3.991 6.592 1.00 0.00 C ATOM 412 CG PHE A 30 3.754 -5.061 7.641 1.00 0.00 C ATOM 413 CD1 PHE A 30 4.357 -4.795 8.860 1.00 0.00 C ATOM 414 CD2 PHE A 30 3.253 -6.332 7.408 1.00 0.00 C ATOM 415 CE1 PHE A 30 4.459 -5.778 9.826 1.00 0.00 C ATOM 416 CE2 PHE A 30 3.352 -7.318 8.371 1.00 0.00 C ATOM 417 CZ PHE A 30 3.955 -7.041 9.582 1.00 0.00 C ATOM 0 H PHE A 30 1.461 -4.164 5.113 1.00 0.00 H new ATOM 0 HA PHE A 30 2.121 -3.026 7.760 1.00 0.00 H new ATOM 0 HB2 PHE A 30 3.677 -4.455 5.606 1.00 0.00 H new ATOM 0 HB3 PHE A 30 4.512 -3.334 6.663 1.00 0.00 H new ATOM 0 HD1 PHE A 30 4.751 -3.809 9.057 1.00 0.00 H new ATOM 0 HD2 PHE A 30 2.780 -6.554 6.463 1.00 0.00 H new ATOM 0 HE1 PHE A 30 4.933 -5.559 10.772 1.00 0.00 H new ATOM 0 HE2 PHE A 30 2.958 -8.305 8.177 1.00 0.00 H new ATOM 0 HZ PHE A 30 4.032 -7.810 10.337 1.00 0.00 H new ATOM 427 N LYS A 31 2.121 -0.740 6.783 1.00 0.00 N ATOM 428 CA LYS A 31 2.274 0.631 6.311 1.00 0.00 C ATOM 429 C LYS A 31 3.641 1.189 6.694 1.00 0.00 C ATOM 430 O LYS A 31 3.969 1.299 7.876 1.00 0.00 O ATOM 431 CB LYS A 31 1.169 1.518 6.890 1.00 0.00 C ATOM 432 CG LYS A 31 1.130 2.912 6.289 1.00 0.00 C ATOM 433 CD LYS A 31 0.275 3.854 7.120 1.00 0.00 C ATOM 434 CE LYS A 31 -0.156 5.071 6.316 1.00 0.00 C ATOM 435 NZ LYS A 31 -0.611 6.183 7.195 1.00 0.00 N ATOM 0 H LYS A 31 1.623 -0.828 7.669 1.00 0.00 H new ATOM 0 HA LYS A 31 2.195 0.625 5.224 1.00 0.00 H new ATOM 0 HB2 LYS A 31 0.205 1.035 6.729 1.00 0.00 H new ATOM 0 HB3 LYS A 31 1.308 1.600 7.968 1.00 0.00 H new ATOM 0 HG2 LYS A 31 2.143 3.307 6.217 1.00 0.00 H new ATOM 0 HG3 LYS A 31 0.735 2.861 5.274 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -0.607 3.324 7.481 1.00 0.00 H new ATOM 0 HD3 LYS A 31 0.835 4.176 7.998 1.00 0.00 H new ATOM 0 HE2 LYS A 31 0.676 5.412 5.700 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -0.962 4.791 5.637 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -0.896 6.994 6.610 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -1.421 5.866 7.765 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 0.166 6.467 7.825 1.00 0.00 H new ATOM 449 N CYS A 32 4.434 1.541 5.687 1.00 0.00 N ATOM 450 CA CYS A 32 5.766 2.088 5.918 1.00 0.00 C ATOM 451 C CYS A 32 5.688 3.561 6.311 1.00 0.00 C ATOM 452 O CYS A 32 4.715 4.248 5.999 1.00 0.00 O ATOM 453 CB CYS A 32 6.630 1.928 4.665 1.00 0.00 C ATOM 454 SG CYS A 32 8.278 2.692 4.797 1.00 0.00 S ATOM 0 H CYS A 32 4.177 1.457 4.703 1.00 0.00 H new ATOM 0 HA CYS A 32 6.222 1.535 6.739 1.00 0.00 H new ATOM 0 HB2 CYS A 32 6.750 0.866 4.452 1.00 0.00 H new ATOM 0 HB3 CYS A 32 6.105 2.366 3.816 1.00 0.00 H new ATOM 459 N LYS A 33 6.719 4.040 6.998 1.00 0.00 N ATOM 460 CA LYS A 33 6.770 5.430 7.433 1.00 0.00 C ATOM 461 C LYS A 33 6.565 6.377 6.254 1.00 0.00 C ATOM 462 O LYS A 33 6.071 7.493 6.420 1.00 0.00 O ATOM 463 CB LYS A 33 8.110 5.725 8.110 1.00 0.00 C ATOM 464 CG LYS A 33 8.206 5.190 9.529 1.00 0.00 C ATOM 465 CD LYS A 33 9.150 6.025 10.377 1.00 0.00 C ATOM 466 CE LYS A 33 9.725 5.217 11.531 1.00 0.00 C ATOM 467 NZ LYS A 33 11.049 5.738 11.968 1.00 0.00 N ATOM 0 H LYS A 33 7.532 3.485 7.266 1.00 0.00 H new ATOM 0 HA LYS A 33 5.964 5.590 8.150 1.00 0.00 H new ATOM 0 HB2 LYS A 33 8.912 5.292 7.513 1.00 0.00 H new ATOM 0 HB3 LYS A 33 8.270 6.803 8.126 1.00 0.00 H new ATOM 0 HG2 LYS A 33 7.216 5.184 9.984 1.00 0.00 H new ATOM 0 HG3 LYS A 33 8.553 4.157 9.507 1.00 0.00 H new ATOM 0 HD2 LYS A 33 9.962 6.402 9.755 1.00 0.00 H new ATOM 0 HD3 LYS A 33 8.619 6.893 10.768 1.00 0.00 H new ATOM 0 HE2 LYS A 33 9.031 5.239 12.371 1.00 0.00 H new ATOM 0 HE3 LYS A 33 9.827 4.175 11.229 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 11.407 5.161 12.756 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 11.719 5.693 11.174 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 10.948 6.725 12.280 1.00 0.00 H new ATOM 481 N CYS A 34 6.945 5.924 5.064 1.00 0.00 N ATOM 482 CA CYS A 34 6.802 6.730 3.858 1.00 0.00 C ATOM 483 C CYS A 34 5.332 7.006 3.560 1.00 0.00 C ATOM 484 O CYS A 34 4.974 8.088 3.096 1.00 0.00 O ATOM 485 CB CYS A 34 7.451 6.022 2.667 1.00 0.00 C ATOM 486 SG CYS A 34 6.675 4.431 2.234 1.00 0.00 S ATOM 0 H CYS A 34 7.354 5.003 4.909 1.00 0.00 H new ATOM 0 HA CYS A 34 7.306 7.682 4.025 1.00 0.00 H new ATOM 0 HB2 CYS A 34 7.411 6.681 1.800 1.00 0.00 H new ATOM 0 HB3 CYS A 34 8.504 5.852 2.889 1.00 0.00 H new ATOM 491 N GLY A 35 4.483 6.019 3.830 1.00 0.00 N ATOM 492 CA GLY A 35 3.061 6.175 3.585 1.00 0.00 C ATOM 493 C GLY A 35 2.545 5.215 2.531 1.00 0.00 C ATOM 494 O GLY A 35 1.612 5.534 1.794 1.00 0.00 O ATOM 0 H GLY A 35 4.755 5.114 4.214 1.00 0.00 H new ATOM 0 HA2 GLY A 35 2.516 6.016 4.515 1.00 0.00 H new ATOM 0 HA3 GLY A 35 2.860 7.199 3.269 1.00 0.00 H new ATOM 498 N SER A 36 3.155 4.036 2.458 1.00 0.00 N ATOM 499 CA SER A 36 2.756 3.029 1.483 1.00 0.00 C ATOM 500 C SER A 36 2.333 1.738 2.177 1.00 0.00 C ATOM 501 O SER A 36 2.816 1.416 3.264 1.00 0.00 O ATOM 502 CB SER A 36 3.903 2.746 0.511 1.00 0.00 C ATOM 503 OG SER A 36 4.540 3.947 0.111 1.00 0.00 O ATOM 0 H SER A 36 3.927 3.755 3.063 1.00 0.00 H new ATOM 0 HA SER A 36 1.904 3.418 0.925 1.00 0.00 H new ATOM 0 HB2 SER A 36 4.630 2.085 0.984 1.00 0.00 H new ATOM 0 HB3 SER A 36 3.520 2.224 -0.366 1.00 0.00 H new ATOM 0 HG SER A 36 5.107 4.275 0.840 1.00 0.00 H new ATOM 509 N THR A 37 1.428 1.000 1.542 1.00 0.00 N ATOM 510 CA THR A 37 0.938 -0.255 2.098 1.00 0.00 C ATOM 511 C THR A 37 1.602 -1.451 1.424 1.00 0.00 C ATOM 512 O THR A 37 1.793 -1.463 0.208 1.00 0.00 O ATOM 513 CB THR A 37 -0.590 -0.378 1.948 1.00 0.00 C ATOM 514 OG1 THR A 37 -1.225 0.825 2.395 1.00 0.00 O ATOM 515 CG2 THR A 37 -1.118 -1.562 2.743 1.00 0.00 C ATOM 0 H THR A 37 1.019 1.250 0.642 1.00 0.00 H new ATOM 0 HA THR A 37 1.192 -0.251 3.158 1.00 0.00 H new ATOM 0 HB THR A 37 -0.818 -0.538 0.894 1.00 0.00 H new ATOM 0 HG1 THR A 37 -2.031 0.599 2.905 1.00 0.00 H new ATOM 0 HG21 THR A 37 -2.199 -1.629 2.622 1.00 0.00 H new ATOM 0 HG22 THR A 37 -0.655 -2.480 2.380 1.00 0.00 H new ATOM 0 HG23 THR A 37 -0.879 -1.428 3.798 1.00 0.00 H new ATOM 523 N PHE A 38 1.951 -2.455 2.222 1.00 0.00 N ATOM 524 CA PHE A 38 2.593 -3.656 1.702 1.00 0.00 C ATOM 525 C PHE A 38 2.001 -4.909 2.339 1.00 0.00 C ATOM 526 O PHE A 38 1.315 -4.836 3.360 1.00 0.00 O ATOM 527 CB PHE A 38 4.101 -3.604 1.957 1.00 0.00 C ATOM 528 CG PHE A 38 4.742 -2.323 1.506 1.00 0.00 C ATOM 529 CD1 PHE A 38 5.107 -2.145 0.181 1.00 0.00 C ATOM 530 CD2 PHE A 38 4.979 -1.297 2.406 1.00 0.00 C ATOM 531 CE1 PHE A 38 5.697 -0.967 -0.236 1.00 0.00 C ATOM 532 CE2 PHE A 38 5.569 -0.117 1.994 1.00 0.00 C ATOM 533 CZ PHE A 38 5.927 0.049 0.671 1.00 0.00 C ATOM 0 H PHE A 38 1.800 -2.460 3.231 1.00 0.00 H new ATOM 0 HA PHE A 38 2.414 -3.697 0.628 1.00 0.00 H new ATOM 0 HB2 PHE A 38 4.286 -3.738 3.023 1.00 0.00 H new ATOM 0 HB3 PHE A 38 4.577 -4.439 1.444 1.00 0.00 H new ATOM 0 HD1 PHE A 38 4.928 -2.935 -0.533 1.00 0.00 H new ATOM 0 HD2 PHE A 38 4.699 -1.421 3.442 1.00 0.00 H new ATOM 0 HE1 PHE A 38 5.978 -0.841 -1.271 1.00 0.00 H new ATOM 0 HE2 PHE A 38 5.750 0.674 2.706 1.00 0.00 H new ATOM 0 HZ PHE A 38 6.386 0.971 0.346 1.00 0.00 H new ATOM 543 N CYS A 39 2.270 -6.059 1.730 1.00 0.00 N ATOM 544 CA CYS A 39 1.764 -7.330 2.236 1.00 0.00 C ATOM 545 C CYS A 39 2.829 -8.052 3.055 1.00 0.00 C ATOM 546 O CYS A 39 2.977 -9.270 2.965 1.00 0.00 O ATOM 547 CB CYS A 39 1.306 -8.218 1.077 1.00 0.00 C ATOM 548 SG CYS A 39 2.669 -9.011 0.165 1.00 0.00 S ATOM 0 H CYS A 39 2.836 -6.137 0.885 1.00 0.00 H new ATOM 0 HA CYS A 39 0.912 -7.122 2.884 1.00 0.00 H new ATOM 0 HB2 CYS A 39 0.644 -8.992 1.466 1.00 0.00 H new ATOM 0 HB3 CYS A 39 0.720 -7.617 0.382 1.00 0.00 H new ATOM 553 N GLY A 40 3.569 -7.291 3.855 1.00 0.00 N ATOM 554 CA GLY A 40 4.611 -7.876 4.679 1.00 0.00 C ATOM 555 C GLY A 40 5.846 -8.241 3.880 1.00 0.00 C ATOM 556 O GLY A 40 6.962 -7.872 4.246 1.00 0.00 O ATOM 0 H GLY A 40 3.466 -6.280 3.947 1.00 0.00 H new ATOM 0 HA2 GLY A 40 4.886 -7.173 5.465 1.00 0.00 H new ATOM 0 HA3 GLY A 40 4.223 -8.768 5.170 1.00 0.00 H new ATOM 560 N SER A 41 5.647 -8.968 2.785 1.00 0.00 N ATOM 561 CA SER A 41 6.755 -9.388 1.935 1.00 0.00 C ATOM 562 C SER A 41 7.418 -8.184 1.272 1.00 0.00 C ATOM 563 O SER A 41 8.579 -8.277 0.877 1.00 0.00 O ATOM 564 CB SER A 41 6.263 -10.366 0.866 1.00 0.00 C ATOM 565 OG SER A 41 5.769 -11.558 1.454 1.00 0.00 O ATOM 0 H SER A 41 4.729 -9.278 2.466 1.00 0.00 H new ATOM 0 HA SER A 41 7.493 -9.887 2.563 1.00 0.00 H new ATOM 0 HB2 SER A 41 5.478 -9.897 0.273 1.00 0.00 H new ATOM 0 HB3 SER A 41 7.079 -10.604 0.183 1.00 0.00 H new ATOM 0 HG SER A 41 5.459 -12.166 0.750 1.00 0.00 H new ATOM 571 N HIS A 42 6.673 -7.093 1.166 1.00 0.00 N ATOM 572 CA HIS A 42 7.199 -5.886 0.553 1.00 0.00 C ATOM 573 C HIS A 42 7.119 -4.727 1.549 1.00 0.00 C ATOM 574 O HIS A 42 7.080 -3.553 1.182 1.00 0.00 O ATOM 575 CB HIS A 42 6.478 -5.587 -0.763 1.00 0.00 C ATOM 576 CG HIS A 42 6.446 -6.751 -1.724 1.00 0.00 C ATOM 577 ND1 HIS A 42 5.295 -7.149 -2.381 1.00 0.00 N ATOM 578 CD2 HIS A 42 7.435 -7.597 -2.133 1.00 0.00 C ATOM 579 CE1 HIS A 42 5.589 -8.190 -3.147 1.00 0.00 C ATOM 580 NE2 HIS A 42 6.915 -8.466 -2.991 1.00 0.00 N ATOM 0 H HIS A 42 5.710 -7.020 1.494 1.00 0.00 H new ATOM 0 HA HIS A 42 8.249 -6.030 0.301 1.00 0.00 H new ATOM 0 HB2 HIS A 42 5.455 -5.282 -0.544 1.00 0.00 H new ATOM 0 HB3 HIS A 42 6.965 -4.742 -1.249 1.00 0.00 H new ATOM 0 HD2 HIS A 42 8.466 -7.565 -1.813 1.00 0.00 H new ATOM 0 HE1 HIS A 42 4.899 -8.725 -3.783 1.00 0.00 H new ATOM 0 HE2 HIS A 42 7.424 -9.217 -3.457 1.00 0.00 H new ATOM 588 N ARG A 43 7.096 -5.087 2.828 1.00 0.00 N ATOM 589 CA ARG A 43 7.020 -4.100 3.898 1.00 0.00 C ATOM 590 C ARG A 43 8.352 -3.373 4.063 1.00 0.00 C ATOM 591 O ARG A 43 8.407 -2.276 4.619 1.00 0.00 O ATOM 592 CB ARG A 43 6.628 -4.774 5.215 1.00 0.00 C ATOM 593 CG ARG A 43 7.754 -5.575 5.848 1.00 0.00 C ATOM 594 CD ARG A 43 7.240 -6.476 6.960 1.00 0.00 C ATOM 595 NE ARG A 43 8.312 -6.916 7.848 1.00 0.00 N ATOM 596 CZ ARG A 43 8.908 -6.121 8.730 1.00 0.00 C ATOM 597 NH1 ARG A 43 8.538 -4.853 8.841 1.00 0.00 N ATOM 598 NH2 ARG A 43 9.877 -6.595 9.504 1.00 0.00 N ATOM 0 H ARG A 43 7.129 -6.055 3.148 1.00 0.00 H new ATOM 0 HA ARG A 43 6.257 -3.369 3.630 1.00 0.00 H new ATOM 0 HB2 ARG A 43 6.296 -4.011 5.919 1.00 0.00 H new ATOM 0 HB3 ARG A 43 5.779 -5.434 5.037 1.00 0.00 H new ATOM 0 HG2 ARG A 43 8.245 -6.180 5.086 1.00 0.00 H new ATOM 0 HG3 ARG A 43 8.506 -4.895 6.248 1.00 0.00 H new ATOM 0 HD2 ARG A 43 6.486 -5.943 7.539 1.00 0.00 H new ATOM 0 HD3 ARG A 43 6.750 -7.347 6.524 1.00 0.00 H new ATOM 0 HE ARG A 43 8.620 -7.886 7.788 1.00 0.00 H new ATOM 0 HH11 ARG A 43 7.794 -4.485 8.248 1.00 0.00 H new ATOM 0 HH12 ARG A 43 8.997 -4.245 9.519 1.00 0.00 H new ATOM 0 HH21 ARG A 43 10.164 -7.570 9.422 1.00 0.00 H new ATOM 0 HH22 ARG A 43 10.334 -5.984 10.181 1.00 0.00 H new ATOM 612 N TYR A 44 9.421 -3.992 3.576 1.00 0.00 N ATOM 613 CA TYR A 44 10.753 -3.406 3.672 1.00 0.00 C ATOM 614 C TYR A 44 10.910 -2.248 2.691 1.00 0.00 C ATOM 615 O TYR A 44 10.266 -2.196 1.643 1.00 0.00 O ATOM 616 CB TYR A 44 11.821 -4.467 3.401 1.00 0.00 C ATOM 617 CG TYR A 44 11.587 -5.764 4.141 1.00 0.00 C ATOM 618 CD1 TYR A 44 10.754 -6.745 3.618 1.00 0.00 C ATOM 619 CD2 TYR A 44 12.198 -6.009 5.365 1.00 0.00 C ATOM 620 CE1 TYR A 44 10.536 -7.932 4.291 1.00 0.00 C ATOM 621 CE2 TYR A 44 11.988 -7.193 6.044 1.00 0.00 C ATOM 622 CZ TYR A 44 11.156 -8.151 5.503 1.00 0.00 C ATOM 623 OH TYR A 44 10.943 -9.332 6.177 1.00 0.00 O ATOM 0 H TYR A 44 9.392 -4.899 3.111 1.00 0.00 H new ATOM 0 HA TYR A 44 10.881 -3.022 4.684 1.00 0.00 H new ATOM 0 HB2 TYR A 44 11.856 -4.670 2.331 1.00 0.00 H new ATOM 0 HB3 TYR A 44 12.796 -4.069 3.682 1.00 0.00 H new ATOM 0 HD1 TYR A 44 10.268 -6.577 2.668 1.00 0.00 H new ATOM 0 HD2 TYR A 44 12.848 -5.260 5.793 1.00 0.00 H new ATOM 0 HE1 TYR A 44 9.884 -8.683 3.870 1.00 0.00 H new ATOM 0 HE2 TYR A 44 12.472 -7.368 6.993 1.00 0.00 H new ATOM 0 HH TYR A 44 11.454 -9.328 7.013 1.00 0.00 H new ATOM 633 N PRO A 45 11.788 -1.295 3.038 1.00 0.00 N ATOM 634 CA PRO A 45 12.053 -0.120 2.202 1.00 0.00 C ATOM 635 C PRO A 45 12.797 -0.477 0.920 1.00 0.00 C ATOM 636 O PRO A 45 12.454 0.002 -0.161 1.00 0.00 O ATOM 637 CB PRO A 45 12.924 0.764 3.098 1.00 0.00 C ATOM 638 CG PRO A 45 13.581 -0.184 4.041 1.00 0.00 C ATOM 639 CD PRO A 45 12.591 -1.292 4.273 1.00 0.00 C ATOM 0 HA PRO A 45 11.132 0.361 1.871 1.00 0.00 H new ATOM 0 HB2 PRO A 45 13.661 1.316 2.514 1.00 0.00 H new ATOM 0 HB3 PRO A 45 12.323 1.501 3.631 1.00 0.00 H new ATOM 0 HG2 PRO A 45 14.509 -0.572 3.621 1.00 0.00 H new ATOM 0 HG3 PRO A 45 13.838 0.312 4.977 1.00 0.00 H new ATOM 0 HD2 PRO A 45 13.088 -2.249 4.431 1.00 0.00 H new ATOM 0 HD3 PRO A 45 11.975 -1.103 5.152 1.00 0.00 H new ATOM 647 N GLU A 46 13.817 -1.320 1.048 1.00 0.00 N ATOM 648 CA GLU A 46 14.609 -1.739 -0.102 1.00 0.00 C ATOM 649 C GLU A 46 13.740 -2.464 -1.126 1.00 0.00 C ATOM 650 O GLU A 46 14.074 -2.523 -2.310 1.00 0.00 O ATOM 651 CB GLU A 46 15.755 -2.649 0.345 1.00 0.00 C ATOM 652 CG GLU A 46 15.289 -3.937 1.003 1.00 0.00 C ATOM 653 CD GLU A 46 16.389 -4.619 1.794 1.00 0.00 C ATOM 654 OE1 GLU A 46 17.432 -4.953 1.192 1.00 0.00 O ATOM 655 OE2 GLU A 46 16.208 -4.819 3.013 1.00 0.00 O ATOM 0 H GLU A 46 14.114 -1.726 1.936 1.00 0.00 H new ATOM 0 HA GLU A 46 15.024 -0.846 -0.570 1.00 0.00 H new ATOM 0 HB2 GLU A 46 16.371 -2.895 -0.520 1.00 0.00 H new ATOM 0 HB3 GLU A 46 16.390 -2.103 1.043 1.00 0.00 H new ATOM 0 HG2 GLU A 46 14.451 -3.720 1.666 1.00 0.00 H new ATOM 0 HG3 GLU A 46 14.921 -4.619 0.237 1.00 0.00 H new ATOM 662 N LYS A 47 12.623 -3.014 -0.663 1.00 0.00 N ATOM 663 CA LYS A 47 11.705 -3.734 -1.536 1.00 0.00 C ATOM 664 C LYS A 47 10.893 -2.765 -2.389 1.00 0.00 C ATOM 665 O LYS A 47 10.543 -3.105 -3.519 1.00 0.00 O ATOM 666 CB LYS A 47 10.764 -4.613 -0.708 1.00 0.00 C ATOM 667 CG LYS A 47 11.432 -5.853 -0.141 1.00 0.00 C ATOM 668 CD LYS A 47 11.362 -7.018 -1.114 1.00 0.00 C ATOM 669 CE LYS A 47 12.315 -8.135 -0.716 1.00 0.00 C ATOM 670 NZ LYS A 47 12.051 -9.387 -1.479 1.00 0.00 N ATOM 0 H LYS A 47 12.332 -2.975 0.314 1.00 0.00 H new ATOM 0 HA LYS A 47 12.295 -4.368 -2.198 1.00 0.00 H new ATOM 0 HB2 LYS A 47 10.357 -4.022 0.113 1.00 0.00 H new ATOM 0 HB3 LYS A 47 9.922 -4.916 -1.330 1.00 0.00 H new ATOM 0 HG2 LYS A 47 12.474 -5.633 0.090 1.00 0.00 H new ATOM 0 HG3 LYS A 47 10.950 -6.131 0.796 1.00 0.00 H new ATOM 0 HD2 LYS A 47 10.343 -7.403 -1.149 1.00 0.00 H new ATOM 0 HD3 LYS A 47 11.606 -6.670 -2.118 1.00 0.00 H new ATOM 0 HE2 LYS A 47 13.342 -7.814 -0.888 1.00 0.00 H new ATOM 0 HE3 LYS A 47 12.217 -8.333 0.351 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 12.721 -10.124 -1.179 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 11.079 -9.707 -1.295 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 12.169 -9.205 -2.496 1.00 0.00 H new ATOM 684 N HIS A 48 10.615 -1.592 -1.839 1.00 0.00 N ATOM 685 CA HIS A 48 9.849 -0.590 -2.561 1.00 0.00 C ATOM 686 C HIS A 48 10.667 0.697 -2.674 1.00 0.00 C ATOM 687 O HIS A 48 10.143 1.809 -2.618 1.00 0.00 O ATOM 688 CB HIS A 48 8.485 -0.370 -1.902 1.00 0.00 C ATOM 689 CG HIS A 48 8.555 0.324 -0.562 1.00 0.00 C ATOM 690 ND1 HIS A 48 8.616 -0.365 0.637 1.00 0.00 N ATOM 691 CD2 HIS A 48 8.575 1.650 -0.246 1.00 0.00 C ATOM 692 CE1 HIS A 48 8.668 0.517 1.624 1.00 0.00 C ATOM 693 NE2 HIS A 48 8.642 1.766 1.075 1.00 0.00 N ATOM 0 H HIS A 48 10.906 -1.313 -0.902 1.00 0.00 H new ATOM 0 HA HIS A 48 9.646 -0.941 -3.573 1.00 0.00 H new ATOM 0 HB2 HIS A 48 7.860 0.219 -2.573 1.00 0.00 H new ATOM 0 HB3 HIS A 48 7.995 -1.335 -1.775 1.00 0.00 H new ATOM 0 HD1 HIS A 48 8.620 -1.380 0.743 1.00 0.00 H new ATOM 0 HD2 HIS A 48 8.542 2.468 -0.951 1.00 0.00 H new ATOM 0 HE1 HIS A 48 8.722 0.288 2.678 1.00 0.00 H new ATOM 701 N GLU A 49 11.974 0.520 -2.837 1.00 0.00 N ATOM 702 CA GLU A 49 12.888 1.649 -2.960 1.00 0.00 C ATOM 703 C GLU A 49 12.374 2.854 -2.177 1.00 0.00 C ATOM 704 O GLU A 49 12.253 3.954 -2.717 1.00 0.00 O ATOM 705 CB GLU A 49 13.074 2.025 -4.432 1.00 0.00 C ATOM 706 CG GLU A 49 11.807 2.539 -5.093 1.00 0.00 C ATOM 707 CD GLU A 49 11.775 2.266 -6.584 1.00 0.00 C ATOM 708 OE1 GLU A 49 11.786 1.078 -6.970 1.00 0.00 O ATOM 709 OE2 GLU A 49 11.739 3.240 -7.366 1.00 0.00 O ATOM 0 H GLU A 49 12.424 -0.394 -2.887 1.00 0.00 H new ATOM 0 HA GLU A 49 13.850 1.351 -2.544 1.00 0.00 H new ATOM 0 HB2 GLU A 49 13.849 2.788 -4.508 1.00 0.00 H new ATOM 0 HB3 GLU A 49 13.431 1.152 -4.979 1.00 0.00 H new ATOM 0 HG2 GLU A 49 10.941 2.072 -4.623 1.00 0.00 H new ATOM 0 HG3 GLU A 49 11.722 3.612 -4.922 1.00 0.00 H new ATOM 716 N CYS A 50 12.072 2.637 -0.901 1.00 0.00 N ATOM 717 CA CYS A 50 11.569 3.703 -0.043 1.00 0.00 C ATOM 718 C CYS A 50 12.502 4.911 -0.073 1.00 0.00 C ATOM 719 O CYS A 50 13.717 4.767 -0.201 1.00 0.00 O ATOM 720 CB CYS A 50 11.416 3.199 1.394 1.00 0.00 C ATOM 721 SG CYS A 50 10.645 4.402 2.525 1.00 0.00 S ATOM 0 H CYS A 50 12.167 1.733 -0.439 1.00 0.00 H new ATOM 0 HA CYS A 50 10.593 4.010 -0.420 1.00 0.00 H new ATOM 0 HB2 CYS A 50 10.818 2.288 1.387 1.00 0.00 H new ATOM 0 HB3 CYS A 50 12.399 2.931 1.781 1.00 0.00 H new ATOM 726 N SER A 51 11.922 6.101 0.045 1.00 0.00 N ATOM 727 CA SER A 51 12.700 7.335 0.028 1.00 0.00 C ATOM 728 C SER A 51 12.503 8.119 1.322 1.00 0.00 C ATOM 729 O SER A 51 12.555 9.349 1.330 1.00 0.00 O ATOM 730 CB SER A 51 12.300 8.198 -1.170 1.00 0.00 C ATOM 731 OG SER A 51 12.338 7.450 -2.373 1.00 0.00 O ATOM 0 H SER A 51 10.917 6.237 0.153 1.00 0.00 H new ATOM 0 HA SER A 51 13.754 7.070 -0.059 1.00 0.00 H new ATOM 0 HB2 SER A 51 11.297 8.596 -1.017 1.00 0.00 H new ATOM 0 HB3 SER A 51 12.973 9.052 -1.248 1.00 0.00 H new ATOM 0 HG SER A 51 12.077 8.024 -3.123 1.00 0.00 H new ATOM 737 N PHE A 52 12.278 7.397 2.415 1.00 0.00 N ATOM 738 CA PHE A 52 12.073 8.024 3.716 1.00 0.00 C ATOM 739 C PHE A 52 13.405 8.418 4.346 1.00 0.00 C ATOM 740 O PHE A 52 14.462 7.933 3.943 1.00 0.00 O ATOM 741 CB PHE A 52 11.315 7.076 4.648 1.00 0.00 C ATOM 742 CG PHE A 52 10.848 7.730 5.917 1.00 0.00 C ATOM 743 CD1 PHE A 52 11.654 7.741 7.044 1.00 0.00 C ATOM 744 CD2 PHE A 52 9.603 8.334 5.983 1.00 0.00 C ATOM 745 CE1 PHE A 52 11.227 8.342 8.213 1.00 0.00 C ATOM 746 CE2 PHE A 52 9.171 8.937 7.149 1.00 0.00 C ATOM 747 CZ PHE A 52 9.983 8.940 8.266 1.00 0.00 C ATOM 0 H PHE A 52 12.233 6.378 2.426 1.00 0.00 H new ATOM 0 HA PHE A 52 11.481 8.927 3.567 1.00 0.00 H new ATOM 0 HB2 PHE A 52 10.453 6.671 4.118 1.00 0.00 H new ATOM 0 HB3 PHE A 52 11.959 6.233 4.899 1.00 0.00 H new ATOM 0 HD1 PHE A 52 12.627 7.274 7.009 1.00 0.00 H new ATOM 0 HD2 PHE A 52 8.963 8.334 5.113 1.00 0.00 H new ATOM 0 HE1 PHE A 52 11.865 8.344 9.084 1.00 0.00 H new ATOM 0 HE2 PHE A 52 8.199 9.406 7.187 1.00 0.00 H new ATOM 0 HZ PHE A 52 9.646 9.409 9.179 1.00 0.00 H new ATOM 757 N ASP A 53 13.346 9.302 5.336 1.00 0.00 N ATOM 758 CA ASP A 53 14.547 9.762 6.024 1.00 0.00 C ATOM 759 C ASP A 53 14.665 9.118 7.402 1.00 0.00 C ATOM 760 O ASP A 53 14.657 9.807 8.423 1.00 0.00 O ATOM 761 CB ASP A 53 14.531 11.286 6.158 1.00 0.00 C ATOM 762 CG ASP A 53 13.574 11.762 7.233 1.00 0.00 C ATOM 763 OD1 ASP A 53 12.348 11.621 7.041 1.00 0.00 O ATOM 764 OD2 ASP A 53 14.051 12.275 8.267 1.00 0.00 O ATOM 0 H ASP A 53 12.479 9.715 5.680 1.00 0.00 H new ATOM 0 HA ASP A 53 15.412 9.466 5.430 1.00 0.00 H new ATOM 0 HB2 ASP A 53 15.536 11.638 6.389 1.00 0.00 H new ATOM 0 HB3 ASP A 53 14.249 11.729 5.203 1.00 0.00 H new ATOM 769 N PHE A 54 14.773 7.794 7.423 1.00 0.00 N ATOM 770 CA PHE A 54 14.891 7.057 8.676 1.00 0.00 C ATOM 771 C PHE A 54 16.093 7.541 9.481 1.00 0.00 C ATOM 772 O PHE A 54 16.036 7.637 10.708 1.00 0.00 O ATOM 773 CB PHE A 54 15.019 5.557 8.400 1.00 0.00 C ATOM 774 CG PHE A 54 13.917 5.011 7.538 1.00 0.00 C ATOM 775 CD1 PHE A 54 12.653 4.791 8.062 1.00 0.00 C ATOM 776 CD2 PHE A 54 14.145 4.716 6.203 1.00 0.00 C ATOM 777 CE1 PHE A 54 11.637 4.288 7.272 1.00 0.00 C ATOM 778 CE2 PHE A 54 13.132 4.213 5.408 1.00 0.00 C ATOM 779 CZ PHE A 54 11.877 3.998 5.943 1.00 0.00 C ATOM 0 H PHE A 54 14.781 7.209 6.587 1.00 0.00 H new ATOM 0 HA PHE A 54 13.988 7.237 9.260 1.00 0.00 H new ATOM 0 HB2 PHE A 54 15.977 5.365 7.917 1.00 0.00 H new ATOM 0 HB3 PHE A 54 15.027 5.020 9.349 1.00 0.00 H new ATOM 0 HD1 PHE A 54 12.460 5.015 9.101 1.00 0.00 H new ATOM 0 HD2 PHE A 54 15.125 4.881 5.779 1.00 0.00 H new ATOM 0 HE1 PHE A 54 10.656 4.122 7.693 1.00 0.00 H new ATOM 0 HE2 PHE A 54 13.322 3.988 4.369 1.00 0.00 H new ATOM 0 HZ PHE A 54 11.085 3.604 5.324 1.00 0.00 H new ATOM 789 N LYS A 55 17.181 7.846 8.783 1.00 0.00 N ATOM 790 CA LYS A 55 18.398 8.322 9.431 1.00 0.00 C ATOM 791 C LYS A 55 18.526 9.836 9.303 1.00 0.00 C ATOM 792 O LYS A 55 19.625 10.362 9.131 1.00 0.00 O ATOM 793 CB LYS A 55 19.625 7.642 8.818 1.00 0.00 C ATOM 794 CG LYS A 55 19.752 6.173 9.183 1.00 0.00 C ATOM 795 CD LYS A 55 20.412 5.990 10.540 1.00 0.00 C ATOM 796 CE LYS A 55 19.392 6.042 11.667 1.00 0.00 C ATOM 797 NZ LYS A 55 19.818 5.228 12.838 1.00 0.00 N ATOM 0 H LYS A 55 17.245 7.772 7.768 1.00 0.00 H new ATOM 0 HA LYS A 55 18.340 8.068 10.490 1.00 0.00 H new ATOM 0 HB2 LYS A 55 19.578 7.735 7.733 1.00 0.00 H new ATOM 0 HB3 LYS A 55 20.522 8.168 9.144 1.00 0.00 H new ATOM 0 HG2 LYS A 55 18.764 5.713 9.193 1.00 0.00 H new ATOM 0 HG3 LYS A 55 20.336 5.657 8.421 1.00 0.00 H new ATOM 0 HD2 LYS A 55 20.935 5.034 10.565 1.00 0.00 H new ATOM 0 HD3 LYS A 55 21.161 6.768 10.689 1.00 0.00 H new ATOM 0 HE2 LYS A 55 19.246 7.077 11.978 1.00 0.00 H new ATOM 0 HE3 LYS A 55 18.430 5.680 11.303 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 19.096 5.289 13.584 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 19.933 4.236 12.548 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 20.723 5.589 13.201 1.00 0.00 H new ATOM 811 N GLU A 56 17.396 10.531 9.390 1.00 0.00 N ATOM 812 CA GLU A 56 17.384 11.985 9.285 1.00 0.00 C ATOM 813 C GLU A 56 18.461 12.470 8.319 1.00 0.00 C ATOM 814 O GLU A 56 19.152 13.453 8.585 1.00 0.00 O ATOM 815 CB GLU A 56 17.593 12.620 10.661 1.00 0.00 C ATOM 816 CG GLU A 56 18.927 12.267 11.297 1.00 0.00 C ATOM 817 CD GLU A 56 18.931 12.476 12.799 1.00 0.00 C ATOM 818 OE1 GLU A 56 18.174 11.771 13.497 1.00 0.00 O ATOM 819 OE2 GLU A 56 19.691 13.346 13.275 1.00 0.00 O ATOM 0 H GLU A 56 16.478 10.111 9.533 1.00 0.00 H new ATOM 0 HA GLU A 56 16.411 12.287 8.898 1.00 0.00 H new ATOM 0 HB2 GLU A 56 17.520 13.703 10.567 1.00 0.00 H new ATOM 0 HB3 GLU A 56 16.788 12.303 11.324 1.00 0.00 H new ATOM 0 HG2 GLU A 56 19.165 11.226 11.078 1.00 0.00 H new ATOM 0 HG3 GLU A 56 19.712 12.875 10.847 1.00 0.00 H new ATOM 826 N VAL A 57 18.600 11.771 7.197 1.00 0.00 N ATOM 827 CA VAL A 57 19.592 12.129 6.191 1.00 0.00 C ATOM 828 C VAL A 57 19.328 13.522 5.630 1.00 0.00 C ATOM 829 O VAL A 57 18.482 13.700 4.754 1.00 0.00 O ATOM 830 CB VAL A 57 19.608 11.115 5.031 1.00 0.00 C ATOM 831 CG1 VAL A 57 20.604 11.540 3.963 1.00 0.00 C ATOM 832 CG2 VAL A 57 19.929 9.721 5.548 1.00 0.00 C ATOM 0 H VAL A 57 18.038 10.953 6.962 1.00 0.00 H new ATOM 0 HA VAL A 57 20.563 12.118 6.687 1.00 0.00 H new ATOM 0 HB VAL A 57 18.617 11.091 4.578 1.00 0.00 H new ATOM 0 HG11 VAL A 57 20.601 10.812 3.152 1.00 0.00 H new ATOM 0 HG12 VAL A 57 20.324 12.518 3.573 1.00 0.00 H new ATOM 0 HG13 VAL A 57 21.602 11.595 4.398 1.00 0.00 H new ATOM 0 HG21 VAL A 57 19.936 9.017 4.716 1.00 0.00 H new ATOM 0 HG22 VAL A 57 20.908 9.727 6.027 1.00 0.00 H new ATOM 0 HG23 VAL A 57 19.173 9.419 6.272 1.00 0.00 H new ATOM 842 N GLY A 58 20.059 14.508 6.140 1.00 0.00 N ATOM 843 CA GLY A 58 19.890 15.873 5.678 1.00 0.00 C ATOM 844 C GLY A 58 19.657 16.846 6.816 1.00 0.00 C ATOM 845 O GLY A 58 19.823 16.497 7.985 1.00 0.00 O ATOM 0 H GLY A 58 20.766 14.386 6.865 1.00 0.00 H new ATOM 0 HA2 GLY A 58 20.776 16.177 5.120 1.00 0.00 H new ATOM 0 HA3 GLY A 58 19.048 15.918 4.988 1.00 0.00 H new ATOM 849 N SER A 59 19.272 18.072 6.476 1.00 0.00 N ATOM 850 CA SER A 59 19.022 19.101 7.479 1.00 0.00 C ATOM 851 C SER A 59 17.529 19.393 7.597 1.00 0.00 C ATOM 852 O SER A 59 16.773 19.217 6.642 1.00 0.00 O ATOM 853 CB SER A 59 19.777 20.383 7.124 1.00 0.00 C ATOM 854 OG SER A 59 21.085 20.372 7.670 1.00 0.00 O ATOM 0 H SER A 59 19.126 18.377 5.514 1.00 0.00 H new ATOM 0 HA SER A 59 19.380 18.731 8.440 1.00 0.00 H new ATOM 0 HB2 SER A 59 19.833 20.488 6.040 1.00 0.00 H new ATOM 0 HB3 SER A 59 19.230 21.247 7.500 1.00 0.00 H new ATOM 0 HG SER A 59 21.548 21.201 7.428 1.00 0.00 H new ATOM 860 N GLY A 60 17.111 19.840 8.777 1.00 0.00 N ATOM 861 CA GLY A 60 15.710 20.149 8.999 1.00 0.00 C ATOM 862 C GLY A 60 15.387 20.349 10.467 1.00 0.00 C ATOM 863 O GLY A 60 16.079 19.845 11.351 1.00 0.00 O ATOM 0 H GLY A 60 17.717 19.994 9.583 1.00 0.00 H new ATOM 0 HA2 GLY A 60 15.448 21.051 8.446 1.00 0.00 H new ATOM 0 HA3 GLY A 60 15.095 19.341 8.601 1.00 0.00 H new ATOM 867 N PRO A 61 14.313 21.104 10.742 1.00 0.00 N ATOM 868 CA PRO A 61 13.875 21.388 12.112 1.00 0.00 C ATOM 869 C PRO A 61 13.309 20.155 12.808 1.00 0.00 C ATOM 870 O PRO A 61 12.876 20.224 13.958 1.00 0.00 O ATOM 871 CB PRO A 61 12.783 22.444 11.924 1.00 0.00 C ATOM 872 CG PRO A 61 12.267 22.214 10.546 1.00 0.00 C ATOM 873 CD PRO A 61 13.442 21.737 9.737 1.00 0.00 C ATOM 0 HA PRO A 61 14.701 21.716 12.743 1.00 0.00 H new ATOM 0 HB2 PRO A 61 11.993 22.333 12.666 1.00 0.00 H new ATOM 0 HB3 PRO A 61 13.184 23.452 12.034 1.00 0.00 H new ATOM 0 HG2 PRO A 61 11.468 21.473 10.547 1.00 0.00 H new ATOM 0 HG3 PRO A 61 11.851 23.130 10.127 1.00 0.00 H new ATOM 0 HD2 PRO A 61 13.138 21.029 8.966 1.00 0.00 H new ATOM 0 HD3 PRO A 61 13.944 22.562 9.232 1.00 0.00 H new ATOM 881 N SER A 62 13.317 19.028 12.104 1.00 0.00 N ATOM 882 CA SER A 62 12.802 17.780 12.653 1.00 0.00 C ATOM 883 C SER A 62 13.440 17.477 14.005 1.00 0.00 C ATOM 884 O SER A 62 14.438 16.761 14.086 1.00 0.00 O ATOM 885 CB SER A 62 13.061 16.625 11.683 1.00 0.00 C ATOM 886 OG SER A 62 12.768 15.377 12.286 1.00 0.00 O ATOM 0 H SER A 62 13.675 18.954 11.152 1.00 0.00 H new ATOM 0 HA SER A 62 11.727 17.891 12.795 1.00 0.00 H new ATOM 0 HB2 SER A 62 12.450 16.753 10.789 1.00 0.00 H new ATOM 0 HB3 SER A 62 14.103 16.642 11.362 1.00 0.00 H new ATOM 0 HG SER A 62 12.940 14.656 11.645 1.00 0.00 H new ATOM 892 N SER A 63 12.856 18.027 15.065 1.00 0.00 N ATOM 893 CA SER A 63 13.369 17.820 16.414 1.00 0.00 C ATOM 894 C SER A 63 12.326 17.136 17.292 1.00 0.00 C ATOM 895 O SER A 63 11.231 17.659 17.496 1.00 0.00 O ATOM 896 CB SER A 63 13.781 19.155 17.037 1.00 0.00 C ATOM 897 OG SER A 63 12.647 19.954 17.327 1.00 0.00 O ATOM 0 H SER A 63 12.027 18.619 15.015 1.00 0.00 H new ATOM 0 HA SER A 63 14.244 17.173 16.348 1.00 0.00 H new ATOM 0 HB2 SER A 63 14.346 18.974 17.952 1.00 0.00 H new ATOM 0 HB3 SER A 63 14.442 19.690 16.355 1.00 0.00 H new ATOM 0 HG SER A 63 11.873 19.376 17.491 1.00 0.00 H new ATOM 903 N GLY A 64 12.675 15.963 17.811 1.00 0.00 N ATOM 904 CA GLY A 64 11.759 15.225 18.661 1.00 0.00 C ATOM 905 C GLY A 64 10.336 15.249 18.138 1.00 0.00 C ATOM 906 O GLY A 64 10.135 15.546 16.962 1.00 0.00 O ATOM 0 H GLY A 64 13.576 15.510 17.658 1.00 0.00 H new ATOM 0 HA2 GLY A 64 12.096 14.191 18.742 1.00 0.00 H new ATOM 0 HA3 GLY A 64 11.781 15.647 19.666 1.00 0.00 H new TER 910 GLY A 64 HETATM 911 ZN ZN A 200 3.495 -7.865 -1.704 1.00 0.00 ZN HETATM 912 ZN ZN A 400 8.638 3.194 2.545 1.00 0.00 ZN