USER MOD reduce.3.24.130724 H: found=0, std=0, add=442, rem=0, adj=21 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 48 HIS HE2 : A 48 HIS NE2 : A 400 ZNZN :(H bumps) USER MOD Single : A 1 GLY N :NH3+ -104:sc= 0.0556 (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 22:sc= 0.075 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= -0.0914 X(o=-0.091,f=-0.091) USER MOD Single : A 16 ASN :FLIP amide:sc= 0.267 F(o=-0.42,f=0.27) USER MOD Single : A 20 SER OG : rot -149:sc= -0.2 USER MOD Single : A 22 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 23 LYS NZ :NH3+ 145:sc= 1.33 (180deg=-0.697) USER MOD Single : A 24 LYS NZ :NH3+ -138:sc= -0.149 (180deg=-1.5!) USER MOD Single : A 28 MET CE :methyl -128:sc= 0 (180deg=-0.0726) USER MOD Single : A 31 LYS NZ :NH3+ -136:sc= -0.645 (180deg=-2.38!) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 SER OG : rot 92:sc= 0.649 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 42 HIS : no HE2:sc= -3.44! C(o=-3.4!,f=-13!) 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 18:sc= 0.202 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 -34.667 12.333 -25.892 1.00 0.00 N ATOM 2 CA GLY A 1 -33.779 12.164 -24.756 1.00 0.00 C ATOM 3 C GLY A 1 -32.738 11.088 -24.989 1.00 0.00 C ATOM 4 O GLY A 1 -32.919 10.211 -25.834 1.00 0.00 O ATOM 0 H1 GLY A 1 -34.405 13.195 -26.412 1.00 0.00 H new ATOM 0 H2 GLY A 1 -34.585 11.510 -26.522 1.00 0.00 H new ATOM 0 H3 GLY A 1 -35.648 12.416 -25.557 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -33.279 13.109 -24.546 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -34.367 11.911 -23.874 1.00 0.00 H new ATOM 8 N SER A 2 -31.643 11.153 -24.238 1.00 0.00 N ATOM 9 CA SER A 2 -30.566 10.179 -24.371 1.00 0.00 C ATOM 10 C SER A 2 -29.652 10.211 -23.150 1.00 0.00 C ATOM 11 O SER A 2 -29.670 11.164 -22.371 1.00 0.00 O ATOM 12 CB SER A 2 -29.753 10.455 -25.637 1.00 0.00 C ATOM 13 OG SER A 2 -28.949 11.612 -25.485 1.00 0.00 O ATOM 0 H SER A 2 -31.478 11.870 -23.531 1.00 0.00 H new ATOM 0 HA SER A 2 -31.013 9.188 -24.444 1.00 0.00 H new ATOM 0 HB2 SER A 2 -29.121 9.596 -25.861 1.00 0.00 H new ATOM 0 HB3 SER A 2 -30.426 10.585 -26.484 1.00 0.00 H new ATOM 0 HG SER A 2 -28.438 11.766 -26.307 1.00 0.00 H new ATOM 19 N SER A 3 -28.853 9.161 -22.989 1.00 0.00 N ATOM 20 CA SER A 3 -27.933 9.065 -21.861 1.00 0.00 C ATOM 21 C SER A 3 -26.803 8.086 -22.163 1.00 0.00 C ATOM 22 O SER A 3 -27.035 6.991 -22.674 1.00 0.00 O ATOM 23 CB SER A 3 -28.682 8.625 -20.602 1.00 0.00 C ATOM 24 OG SER A 3 -27.894 8.828 -19.442 1.00 0.00 O ATOM 0 H SER A 3 -28.824 8.364 -23.625 1.00 0.00 H new ATOM 0 HA SER A 3 -27.500 10.051 -21.692 1.00 0.00 H new ATOM 0 HB2 SER A 3 -29.613 9.185 -20.515 1.00 0.00 H new ATOM 0 HB3 SER A 3 -28.949 7.572 -20.684 1.00 0.00 H new ATOM 0 HG SER A 3 -28.396 8.540 -18.651 1.00 0.00 H new ATOM 30 N GLY A 4 -25.577 8.490 -21.843 1.00 0.00 N ATOM 31 CA GLY A 4 -24.428 7.637 -22.087 1.00 0.00 C ATOM 32 C GLY A 4 -23.294 7.901 -21.116 1.00 0.00 C ATOM 33 O GLY A 4 -22.805 9.025 -21.014 1.00 0.00 O ATOM 0 H GLY A 4 -25.359 9.392 -21.420 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -24.732 6.593 -22.011 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -24.074 7.793 -23.106 1.00 0.00 H new ATOM 37 N SER A 5 -22.877 6.861 -20.401 1.00 0.00 N ATOM 38 CA SER A 5 -21.797 6.987 -19.428 1.00 0.00 C ATOM 39 C SER A 5 -21.022 5.679 -19.305 1.00 0.00 C ATOM 40 O SER A 5 -21.611 4.603 -19.200 1.00 0.00 O ATOM 41 CB SER A 5 -22.356 7.392 -18.063 1.00 0.00 C ATOM 42 OG SER A 5 -23.306 6.448 -17.600 1.00 0.00 O ATOM 0 H SER A 5 -23.270 5.923 -20.477 1.00 0.00 H new ATOM 0 HA SER A 5 -21.115 7.762 -19.777 1.00 0.00 H new ATOM 0 HB2 SER A 5 -21.542 7.476 -17.343 1.00 0.00 H new ATOM 0 HB3 SER A 5 -22.821 8.375 -18.134 1.00 0.00 H new ATOM 0 HG SER A 5 -23.162 5.590 -18.052 1.00 0.00 H new ATOM 48 N SER A 6 -19.697 5.780 -19.320 1.00 0.00 N ATOM 49 CA SER A 6 -18.840 4.605 -19.214 1.00 0.00 C ATOM 50 C SER A 6 -17.488 4.972 -18.609 1.00 0.00 C ATOM 51 O SER A 6 -17.137 6.147 -18.511 1.00 0.00 O ATOM 52 CB SER A 6 -18.639 3.968 -20.591 1.00 0.00 C ATOM 53 OG SER A 6 -17.697 4.697 -21.358 1.00 0.00 O ATOM 0 H SER A 6 -19.194 6.663 -19.404 1.00 0.00 H new ATOM 0 HA SER A 6 -19.330 3.886 -18.557 1.00 0.00 H new ATOM 0 HB2 SER A 6 -18.298 2.939 -20.473 1.00 0.00 H new ATOM 0 HB3 SER A 6 -19.591 3.930 -21.120 1.00 0.00 H new ATOM 0 HG SER A 6 -17.585 4.269 -22.232 1.00 0.00 H new ATOM 59 N GLY A 7 -16.732 3.955 -18.205 1.00 0.00 N ATOM 60 CA GLY A 7 -15.427 4.190 -17.614 1.00 0.00 C ATOM 61 C GLY A 7 -15.452 4.107 -16.101 1.00 0.00 C ATOM 62 O GLY A 7 -15.407 5.120 -15.402 1.00 0.00 O ATOM 0 H GLY A 7 -17.000 2.973 -18.276 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -14.718 3.459 -18.003 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -15.067 5.174 -17.915 1.00 0.00 H new ATOM 66 N PRO A 8 -15.528 2.877 -15.573 1.00 0.00 N ATOM 67 CA PRO A 8 -15.562 2.637 -14.127 1.00 0.00 C ATOM 68 C PRO A 8 -14.229 2.949 -13.456 1.00 0.00 C ATOM 69 O PRO A 8 -13.346 2.095 -13.381 1.00 0.00 O ATOM 70 CB PRO A 8 -15.876 1.142 -14.024 1.00 0.00 C ATOM 71 CG PRO A 8 -15.382 0.561 -15.304 1.00 0.00 C ATOM 72 CD PRO A 8 -15.586 1.625 -16.347 1.00 0.00 C ATOM 0 HA PRO A 8 -16.289 3.275 -13.624 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -15.377 0.691 -13.166 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -16.945 0.970 -13.898 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -14.330 0.286 -15.228 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -15.931 -0.346 -15.559 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -14.812 1.590 -17.113 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -16.543 1.511 -16.856 1.00 0.00 H new ATOM 80 N SER A 9 -14.091 4.178 -12.969 1.00 0.00 N ATOM 81 CA SER A 9 -12.863 4.604 -12.306 1.00 0.00 C ATOM 82 C SER A 9 -13.057 4.671 -10.795 1.00 0.00 C ATOM 83 O SER A 9 -14.168 4.888 -10.309 1.00 0.00 O ATOM 84 CB SER A 9 -12.420 5.968 -12.836 1.00 0.00 C ATOM 85 OG SER A 9 -12.019 5.883 -14.193 1.00 0.00 O ATOM 0 H SER A 9 -14.814 4.896 -13.021 1.00 0.00 H new ATOM 0 HA SER A 9 -12.088 3.869 -12.523 1.00 0.00 H new ATOM 0 HB2 SER A 9 -13.238 6.682 -12.739 1.00 0.00 H new ATOM 0 HB3 SER A 9 -11.594 6.345 -12.233 1.00 0.00 H new ATOM 0 HG SER A 9 -11.742 6.769 -14.508 1.00 0.00 H new ATOM 91 N ARG A 10 -11.969 4.482 -10.056 1.00 0.00 N ATOM 92 CA ARG A 10 -12.018 4.520 -8.599 1.00 0.00 C ATOM 93 C ARG A 10 -10.899 5.394 -8.040 1.00 0.00 C ATOM 94 O ARG A 10 -9.740 5.296 -8.444 1.00 0.00 O ATOM 95 CB ARG A 10 -11.908 3.105 -8.027 1.00 0.00 C ATOM 96 CG ARG A 10 -13.074 2.205 -8.402 1.00 0.00 C ATOM 97 CD ARG A 10 -13.353 1.175 -7.318 1.00 0.00 C ATOM 98 NE ARG A 10 -14.065 0.011 -7.840 1.00 0.00 N ATOM 99 CZ ARG A 10 -13.460 -1.037 -8.387 1.00 0.00 C ATOM 100 NH1 ARG A 10 -12.138 -1.068 -8.483 1.00 0.00 N ATOM 101 NH2 ARG A 10 -14.177 -2.058 -8.838 1.00 0.00 N ATOM 0 H ARG A 10 -11.042 4.301 -10.442 1.00 0.00 H new ATOM 0 HA ARG A 10 -12.975 4.951 -8.304 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -10.982 2.651 -8.379 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -11.841 3.165 -6.941 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -13.965 2.811 -8.567 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -12.855 1.697 -9.341 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -12.412 0.854 -6.872 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -13.942 1.634 -6.524 1.00 0.00 H new ATOM 0 HE ARG A 10 -15.083 0.003 -7.781 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -11.583 -0.286 -8.136 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -11.676 -1.874 -8.904 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -15.194 -2.039 -8.765 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -13.711 -2.862 -9.258 1.00 0.00 H new ATOM 115 N PRO A 11 -11.253 6.271 -7.088 1.00 0.00 N ATOM 116 CA PRO A 11 -10.294 7.180 -6.454 1.00 0.00 C ATOM 117 C PRO A 11 -9.311 6.445 -5.549 1.00 0.00 C ATOM 118 O PRO A 11 -9.202 5.220 -5.598 1.00 0.00 O ATOM 119 CB PRO A 11 -11.183 8.115 -5.630 1.00 0.00 C ATOM 120 CG PRO A 11 -12.415 7.323 -5.357 1.00 0.00 C ATOM 121 CD PRO A 11 -12.616 6.443 -6.559 1.00 0.00 C ATOM 0 HA PRO A 11 -9.674 7.696 -7.188 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -10.692 8.415 -4.704 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -11.413 9.028 -6.179 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -12.303 6.727 -4.451 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -13.274 7.977 -5.204 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -13.065 5.488 -6.287 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -13.276 6.908 -7.292 1.00 0.00 H new ATOM 129 N VAL A 12 -8.596 7.201 -4.721 1.00 0.00 N ATOM 130 CA VAL A 12 -7.623 6.621 -3.804 1.00 0.00 C ATOM 131 C VAL A 12 -8.294 6.142 -2.522 1.00 0.00 C ATOM 132 O VAL A 12 -7.715 6.223 -1.438 1.00 0.00 O ATOM 133 CB VAL A 12 -6.518 7.633 -3.445 1.00 0.00 C ATOM 134 CG1 VAL A 12 -5.784 8.089 -4.697 1.00 0.00 C ATOM 135 CG2 VAL A 12 -7.106 8.820 -2.698 1.00 0.00 C ATOM 0 H VAL A 12 -8.673 8.217 -4.667 1.00 0.00 H new ATOM 0 HA VAL A 12 -7.174 5.770 -4.315 1.00 0.00 H new ATOM 0 HB VAL A 12 -5.798 7.142 -2.790 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -5.007 8.803 -4.424 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -5.329 7.228 -5.186 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -6.489 8.563 -5.380 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -6.312 9.525 -2.452 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -7.848 9.314 -3.326 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -7.580 8.473 -1.780 1.00 0.00 H new ATOM 145 N ARG A 13 -9.518 5.642 -2.653 1.00 0.00 N ATOM 146 CA ARG A 13 -10.269 5.150 -1.504 1.00 0.00 C ATOM 147 C ARG A 13 -9.658 3.859 -0.967 1.00 0.00 C ATOM 148 O ARG A 13 -9.237 3.776 0.187 1.00 0.00 O ATOM 149 CB ARG A 13 -11.731 4.913 -1.887 1.00 0.00 C ATOM 150 CG ARG A 13 -12.639 6.094 -1.586 1.00 0.00 C ATOM 151 CD ARG A 13 -12.716 6.371 -0.093 1.00 0.00 C ATOM 152 NE ARG A 13 -13.965 7.031 0.278 1.00 0.00 N ATOM 153 CZ ARG A 13 -15.094 6.378 0.533 1.00 0.00 C ATOM 154 NH1 ARG A 13 -15.129 5.055 0.458 1.00 0.00 N ATOM 155 NH2 ARG A 13 -16.190 7.050 0.864 1.00 0.00 N ATOM 0 H ARG A 13 -10.011 5.567 -3.543 1.00 0.00 H new ATOM 0 HA ARG A 13 -10.223 5.907 -0.721 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -11.786 4.685 -2.951 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -12.100 4.037 -1.354 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -12.269 6.980 -2.103 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -13.638 5.894 -1.972 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -12.625 5.433 0.455 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -11.874 6.996 0.204 1.00 0.00 H new ATOM 0 HE ARG A 13 -13.971 8.049 0.345 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -14.288 4.536 0.204 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -15.997 4.556 0.654 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -16.166 8.068 0.923 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -17.056 6.548 1.060 1.00 0.00 H new ATOM 169 N PRO A 14 -9.607 2.827 -1.822 1.00 0.00 N ATOM 170 CA PRO A 14 -9.049 1.522 -1.456 1.00 0.00 C ATOM 171 C PRO A 14 -7.536 1.570 -1.271 1.00 0.00 C ATOM 172 O PRO A 14 -6.803 1.962 -2.178 1.00 0.00 O ATOM 173 CB PRO A 14 -9.414 0.633 -2.648 1.00 0.00 C ATOM 174 CG PRO A 14 -9.556 1.575 -3.794 1.00 0.00 C ATOM 175 CD PRO A 14 -10.090 2.855 -3.213 1.00 0.00 C ATOM 0 HA PRO A 14 -9.441 1.164 -0.504 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -8.640 -0.110 -2.840 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -10.340 0.088 -2.466 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -8.597 1.739 -4.285 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -10.235 1.175 -4.547 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -9.716 3.727 -3.750 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -11.178 2.894 -3.260 1.00 0.00 H new ATOM 183 N ASN A 15 -7.076 1.168 -0.091 1.00 0.00 N ATOM 184 CA ASN A 15 -5.649 1.165 0.212 1.00 0.00 C ATOM 185 C ASN A 15 -5.141 -0.257 0.423 1.00 0.00 C ATOM 186 O ASN A 15 -3.965 -0.546 0.202 1.00 0.00 O ATOM 187 CB ASN A 15 -5.370 2.008 1.459 1.00 0.00 C ATOM 188 CG ASN A 15 -6.539 2.017 2.424 1.00 0.00 C ATOM 189 OD1 ASN A 15 -7.378 2.917 2.393 1.00 0.00 O ATOM 190 ND2 ASN A 15 -6.599 1.011 3.290 1.00 0.00 N ATOM 0 H ASN A 15 -7.670 0.840 0.671 1.00 0.00 H new ATOM 0 HA ASN A 15 -5.121 1.598 -0.638 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -4.487 1.620 1.966 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -5.142 3.031 1.159 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -7.363 0.964 3.965 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -5.881 0.286 3.280 1.00 0.00 H new ATOM 197 N ASN A 16 -6.035 -1.143 0.850 1.00 0.00 N ATOM 198 CA ASN A 16 -5.677 -2.536 1.090 1.00 0.00 C ATOM 199 C ASN A 16 -5.030 -3.152 -0.147 1.00 0.00 C ATOM 200 O ASN A 16 -5.699 -3.796 -0.954 1.00 0.00 O ATOM 201 CB ASN A 16 -6.916 -3.342 1.486 1.00 0.00 C ATOM 202 CG ASN A 16 -8.176 -2.832 0.814 1.00 0.00 C ATOM 203 OD1 ASN A 16 -9.189 -2.520 1.615 1.00 0.00 O flip ATOM 204 ND2 ASN A 16 -8.238 -2.720 -0.410 1.00 0.00 N flip ATOM 0 H ASN A 16 -7.013 -0.921 1.037 1.00 0.00 H new ATOM 0 HA ASN A 16 -4.957 -2.564 1.908 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -6.765 -4.389 1.222 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -7.042 -3.301 2.568 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -7.435 -2.972 -0.986 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -9.092 -2.376 -0.848 1.00 0.00 H new ATOM 211 N ARG A 17 -3.724 -2.950 -0.287 1.00 0.00 N ATOM 212 CA ARG A 17 -2.986 -3.485 -1.425 1.00 0.00 C ATOM 213 C ARG A 17 -1.484 -3.288 -1.241 1.00 0.00 C ATOM 214 O ARG A 17 -1.044 -2.288 -0.673 1.00 0.00 O ATOM 215 CB ARG A 17 -3.444 -2.811 -2.720 1.00 0.00 C ATOM 216 CG ARG A 17 -4.680 -3.450 -3.334 1.00 0.00 C ATOM 217 CD ARG A 17 -4.733 -3.225 -4.837 1.00 0.00 C ATOM 218 NE ARG A 17 -6.105 -3.190 -5.337 1.00 0.00 N ATOM 219 CZ ARG A 17 -6.454 -2.622 -6.486 1.00 0.00 C ATOM 220 NH1 ARG A 17 -5.537 -2.046 -7.250 1.00 0.00 N ATOM 221 NH2 ARG A 17 -7.724 -2.631 -6.872 1.00 0.00 N ATOM 0 H ARG A 17 -3.155 -2.420 0.373 1.00 0.00 H new ATOM 0 HA ARG A 17 -3.190 -4.554 -1.487 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -3.650 -1.760 -2.519 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -2.630 -2.844 -3.444 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -4.680 -4.520 -3.125 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -5.575 -3.034 -2.871 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -4.234 -2.287 -5.081 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -4.183 -4.019 -5.342 1.00 0.00 H new ATOM 0 HE ARG A 17 -6.835 -3.625 -4.773 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -4.560 -2.038 -6.956 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -5.808 -1.611 -8.132 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -8.432 -3.074 -6.286 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -7.992 -2.195 -7.754 1.00 0.00 H new ATOM 235 N CYS A 18 -0.703 -4.248 -1.724 1.00 0.00 N ATOM 236 CA CYS A 18 0.749 -4.182 -1.612 1.00 0.00 C ATOM 237 C CYS A 18 1.332 -3.228 -2.651 1.00 0.00 C ATOM 238 O CYS A 18 0.929 -3.239 -3.814 1.00 0.00 O ATOM 239 CB CYS A 18 1.359 -5.575 -1.784 1.00 0.00 C ATOM 240 SG CYS A 18 3.151 -5.647 -1.463 1.00 0.00 S ATOM 0 H CYS A 18 -1.052 -5.082 -2.197 1.00 0.00 H new ATOM 0 HA CYS A 18 0.995 -3.805 -0.619 1.00 0.00 H new ATOM 0 HB2 CYS A 18 0.852 -6.267 -1.112 1.00 0.00 H new ATOM 0 HB3 CYS A 18 1.169 -5.920 -2.800 1.00 0.00 H new ATOM 245 N PHE A 19 2.282 -2.404 -2.222 1.00 0.00 N ATOM 246 CA PHE A 19 2.920 -1.443 -3.114 1.00 0.00 C ATOM 247 C PHE A 19 4.057 -2.097 -3.895 1.00 0.00 C ATOM 248 O PHE A 19 4.974 -1.421 -4.360 1.00 0.00 O ATOM 249 CB PHE A 19 3.454 -0.252 -2.317 1.00 0.00 C ATOM 250 CG PHE A 19 3.891 0.899 -3.178 1.00 0.00 C ATOM 251 CD1 PHE A 19 2.956 1.731 -3.772 1.00 0.00 C ATOM 252 CD2 PHE A 19 5.237 1.148 -3.394 1.00 0.00 C ATOM 253 CE1 PHE A 19 3.354 2.791 -4.565 1.00 0.00 C ATOM 254 CE2 PHE A 19 5.641 2.207 -4.186 1.00 0.00 C ATOM 255 CZ PHE A 19 4.698 3.028 -4.773 1.00 0.00 C ATOM 0 H PHE A 19 2.627 -2.382 -1.262 1.00 0.00 H new ATOM 0 HA PHE A 19 2.171 -1.091 -3.823 1.00 0.00 H new ATOM 0 HB2 PHE A 19 2.680 0.092 -1.630 1.00 0.00 H new ATOM 0 HB3 PHE A 19 4.297 -0.581 -1.709 1.00 0.00 H new ATOM 0 HD1 PHE A 19 1.903 1.549 -3.614 1.00 0.00 H new ATOM 0 HD2 PHE A 19 5.978 0.508 -2.939 1.00 0.00 H new ATOM 0 HE1 PHE A 19 2.615 3.433 -5.021 1.00 0.00 H new ATOM 0 HE2 PHE A 19 6.693 2.392 -4.345 1.00 0.00 H new ATOM 0 HZ PHE A 19 5.012 3.854 -5.394 1.00 0.00 H new ATOM 265 N SER A 20 3.988 -3.417 -4.034 1.00 0.00 N ATOM 266 CA SER A 20 5.013 -4.164 -4.754 1.00 0.00 C ATOM 267 C SER A 20 4.380 -5.168 -5.713 1.00 0.00 C ATOM 268 O SER A 20 4.830 -5.330 -6.848 1.00 0.00 O ATOM 269 CB SER A 20 5.931 -4.891 -3.770 1.00 0.00 C ATOM 270 OG SER A 20 7.036 -4.081 -3.409 1.00 0.00 O ATOM 0 H SER A 20 3.234 -3.991 -3.658 1.00 0.00 H new ATOM 0 HA SER A 20 5.604 -3.455 -5.334 1.00 0.00 H new ATOM 0 HB2 SER A 20 5.369 -5.163 -2.877 1.00 0.00 H new ATOM 0 HB3 SER A 20 6.287 -5.819 -4.218 1.00 0.00 H new ATOM 0 HG SER A 20 7.811 -4.650 -3.220 1.00 0.00 H new ATOM 276 N CYS A 21 3.332 -5.840 -5.249 1.00 0.00 N ATOM 277 CA CYS A 21 2.635 -6.829 -6.063 1.00 0.00 C ATOM 278 C CYS A 21 1.158 -6.473 -6.206 1.00 0.00 C ATOM 279 O CYS A 21 0.414 -7.144 -6.920 1.00 0.00 O ATOM 280 CB CYS A 21 2.779 -8.222 -5.445 1.00 0.00 C ATOM 281 SG CYS A 21 2.471 -8.273 -3.650 1.00 0.00 S ATOM 0 H CYS A 21 2.946 -5.718 -4.313 1.00 0.00 H new ATOM 0 HA CYS A 21 3.087 -6.831 -7.055 1.00 0.00 H new ATOM 0 HB2 CYS A 21 2.086 -8.902 -5.941 1.00 0.00 H new ATOM 0 HB3 CYS A 21 3.785 -8.593 -5.641 1.00 0.00 H new ATOM 286 N ASN A 22 0.742 -5.413 -5.521 1.00 0.00 N ATOM 287 CA ASN A 22 -0.646 -4.968 -5.571 1.00 0.00 C ATOM 288 C ASN A 22 -1.576 -6.017 -4.969 1.00 0.00 C ATOM 289 O ASN A 22 -2.760 -6.077 -5.301 1.00 0.00 O ATOM 290 CB ASN A 22 -1.057 -4.674 -7.015 1.00 0.00 C ATOM 291 CG ASN A 22 -0.827 -3.225 -7.398 1.00 0.00 C ATOM 292 OD1 ASN A 22 0.218 -2.875 -7.948 1.00 0.00 O ATOM 293 ND2 ASN A 22 -1.804 -2.374 -7.108 1.00 0.00 N ATOM 0 H ASN A 22 1.346 -4.846 -4.925 1.00 0.00 H new ATOM 0 HA ASN A 22 -0.730 -4.054 -4.983 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -0.493 -5.319 -7.689 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -2.111 -4.919 -7.147 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -1.706 -1.386 -7.341 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -2.653 -2.708 -6.652 1.00 0.00 H new ATOM 300 N LYS A 23 -1.031 -6.843 -4.083 1.00 0.00 N ATOM 301 CA LYS A 23 -1.811 -7.889 -3.432 1.00 0.00 C ATOM 302 C LYS A 23 -2.618 -7.323 -2.268 1.00 0.00 C ATOM 303 O LYS A 23 -2.068 -7.005 -1.213 1.00 0.00 O ATOM 304 CB LYS A 23 -0.889 -9.004 -2.932 1.00 0.00 C ATOM 305 CG LYS A 23 -1.409 -9.713 -1.693 1.00 0.00 C ATOM 306 CD LYS A 23 -0.873 -11.132 -1.597 1.00 0.00 C ATOM 307 CE LYS A 23 0.439 -11.181 -0.830 1.00 0.00 C ATOM 308 NZ LYS A 23 1.615 -11.038 -1.733 1.00 0.00 N ATOM 0 H LYS A 23 -0.052 -6.809 -3.799 1.00 0.00 H new ATOM 0 HA LYS A 23 -2.505 -8.300 -4.166 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -0.752 -9.735 -3.728 1.00 0.00 H new ATOM 0 HB3 LYS A 23 0.092 -8.582 -2.714 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -1.120 -9.153 -0.804 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -2.499 -9.735 -1.716 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -1.608 -11.767 -1.103 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -0.725 -11.535 -2.599 1.00 0.00 H new ATOM 0 HE2 LYS A 23 0.454 -10.385 -0.085 1.00 0.00 H new ATOM 0 HE3 LYS A 23 0.509 -12.125 -0.290 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 2.364 -10.505 -1.246 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 1.972 -11.980 -1.990 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 1.332 -10.528 -2.594 1.00 0.00 H new ATOM 322 N LYS A 24 -3.926 -7.199 -2.466 1.00 0.00 N ATOM 323 CA LYS A 24 -4.811 -6.674 -1.433 1.00 0.00 C ATOM 324 C LYS A 24 -4.367 -7.137 -0.049 1.00 0.00 C ATOM 325 O LYS A 24 -4.327 -8.335 0.232 1.00 0.00 O ATOM 326 CB LYS A 24 -6.252 -7.117 -1.693 1.00 0.00 C ATOM 327 CG LYS A 24 -6.624 -8.414 -0.997 1.00 0.00 C ATOM 328 CD LYS A 24 -8.063 -8.809 -1.284 1.00 0.00 C ATOM 329 CE LYS A 24 -8.192 -9.505 -2.631 1.00 0.00 C ATOM 330 NZ LYS A 24 -8.423 -8.535 -3.737 1.00 0.00 N ATOM 0 H LYS A 24 -4.397 -7.455 -3.334 1.00 0.00 H new ATOM 0 HA LYS A 24 -4.761 -5.586 -1.466 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -6.930 -6.330 -1.363 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -6.399 -7.235 -2.767 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -5.955 -9.209 -1.326 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -6.484 -8.304 0.078 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -8.424 -9.470 -0.496 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -8.695 -7.921 -1.270 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -7.286 -10.077 -2.833 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -9.017 -10.217 -2.594 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -9.146 -8.911 -4.383 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -8.749 -7.630 -3.342 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -7.536 -8.386 -4.259 1.00 0.00 H new ATOM 344 N VAL A 25 -4.035 -6.181 0.812 1.00 0.00 N ATOM 345 CA VAL A 25 -3.596 -6.491 2.168 1.00 0.00 C ATOM 346 C VAL A 25 -4.682 -6.162 3.186 1.00 0.00 C ATOM 347 O VAL A 25 -4.393 -5.856 4.341 1.00 0.00 O ATOM 348 CB VAL A 25 -2.315 -5.719 2.534 1.00 0.00 C ATOM 349 CG1 VAL A 25 -1.146 -6.187 1.680 1.00 0.00 C ATOM 350 CG2 VAL A 25 -2.532 -4.221 2.378 1.00 0.00 C ATOM 0 H VAL A 25 -4.062 -5.185 0.595 1.00 0.00 H new ATOM 0 HA VAL A 25 -3.387 -7.560 2.196 1.00 0.00 H new ATOM 0 HB VAL A 25 -2.076 -5.922 3.578 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -0.250 -5.630 1.953 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -0.977 -7.251 1.846 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -1.373 -6.016 0.628 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -1.616 -3.691 2.641 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -2.797 -3.997 1.345 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -3.339 -3.900 3.037 1.00 0.00 H new ATOM 360 N GLY A 26 -5.936 -6.228 2.747 1.00 0.00 N ATOM 361 CA GLY A 26 -7.048 -5.935 3.633 1.00 0.00 C ATOM 362 C GLY A 26 -6.710 -4.868 4.655 1.00 0.00 C ATOM 363 O GLY A 26 -5.973 -3.927 4.360 1.00 0.00 O ATOM 0 H GLY A 26 -6.201 -6.479 1.795 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -7.904 -5.609 3.042 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -7.347 -6.847 4.150 1.00 0.00 H new ATOM 367 N VAL A 27 -7.250 -5.014 5.861 1.00 0.00 N ATOM 368 CA VAL A 27 -7.001 -4.054 6.930 1.00 0.00 C ATOM 369 C VAL A 27 -5.935 -4.567 7.892 1.00 0.00 C ATOM 370 O VAL A 27 -5.926 -4.214 9.071 1.00 0.00 O ATOM 371 CB VAL A 27 -8.287 -3.751 7.722 1.00 0.00 C ATOM 372 CG1 VAL A 27 -9.369 -3.213 6.797 1.00 0.00 C ATOM 373 CG2 VAL A 27 -8.769 -4.996 8.452 1.00 0.00 C ATOM 0 H VAL A 27 -7.862 -5.787 6.122 1.00 0.00 H new ATOM 0 HA VAL A 27 -6.649 -3.137 6.457 1.00 0.00 H new ATOM 0 HB VAL A 27 -8.064 -2.986 8.465 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -10.270 -3.005 7.374 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -9.020 -2.295 6.324 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -9.593 -3.954 6.029 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -9.678 -4.764 9.006 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -8.976 -5.785 7.729 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -7.998 -5.333 9.145 1.00 0.00 H new ATOM 383 N MET A 28 -5.036 -5.402 7.380 1.00 0.00 N ATOM 384 CA MET A 28 -3.964 -5.962 8.193 1.00 0.00 C ATOM 385 C MET A 28 -2.630 -5.893 7.456 1.00 0.00 C ATOM 386 O MET A 28 -1.763 -6.747 7.640 1.00 0.00 O ATOM 387 CB MET A 28 -4.280 -7.412 8.565 1.00 0.00 C ATOM 388 CG MET A 28 -5.368 -7.545 9.618 1.00 0.00 C ATOM 389 SD MET A 28 -4.735 -7.369 11.297 1.00 0.00 S ATOM 390 CE MET A 28 -3.982 -8.976 11.545 1.00 0.00 C ATOM 0 H MET A 28 -5.029 -5.705 6.406 1.00 0.00 H new ATOM 0 HA MET A 28 -3.887 -5.370 9.105 1.00 0.00 H new ATOM 0 HB2 MET A 28 -4.586 -7.950 7.668 1.00 0.00 H new ATOM 0 HB3 MET A 28 -3.372 -7.891 8.930 1.00 0.00 H new ATOM 0 HG2 MET A 28 -6.133 -6.789 9.441 1.00 0.00 H new ATOM 0 HG3 MET A 28 -5.850 -8.517 9.516 1.00 0.00 H new ATOM 0 HE1 MET A 28 -4.354 -9.413 12.472 1.00 0.00 H new ATOM 0 HE2 MET A 28 -4.234 -9.629 10.709 1.00 0.00 H new ATOM 0 HE3 MET A 28 -2.899 -8.865 11.605 1.00 0.00 H new ATOM 400 N GLY A 29 -2.472 -4.871 6.620 1.00 0.00 N ATOM 401 CA GLY A 29 -1.242 -4.711 5.868 1.00 0.00 C ATOM 402 C GLY A 29 -0.141 -4.065 6.687 1.00 0.00 C ATOM 403 O GLY A 29 -0.350 -3.703 7.844 1.00 0.00 O ATOM 0 H GLY A 29 -3.174 -4.151 6.450 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -0.905 -5.686 5.517 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -1.437 -4.104 4.984 1.00 0.00 H new ATOM 407 N PHE A 30 1.035 -3.922 6.085 1.00 0.00 N ATOM 408 CA PHE A 30 2.174 -3.318 6.767 1.00 0.00 C ATOM 409 C PHE A 30 2.493 -1.946 6.182 1.00 0.00 C ATOM 410 O PHE A 30 3.106 -1.838 5.120 1.00 0.00 O ATOM 411 CB PHE A 30 3.400 -4.228 6.662 1.00 0.00 C ATOM 412 CG PHE A 30 3.416 -5.333 7.679 1.00 0.00 C ATOM 413 CD1 PHE A 30 3.997 -5.139 8.922 1.00 0.00 C ATOM 414 CD2 PHE A 30 2.848 -6.564 7.393 1.00 0.00 C ATOM 415 CE1 PHE A 30 4.014 -6.155 9.859 1.00 0.00 C ATOM 416 CE2 PHE A 30 2.862 -7.583 8.327 1.00 0.00 C ATOM 417 CZ PHE A 30 3.445 -7.378 9.562 1.00 0.00 C ATOM 0 H PHE A 30 1.224 -4.216 5.127 1.00 0.00 H new ATOM 0 HA PHE A 30 1.912 -3.193 7.818 1.00 0.00 H new ATOM 0 HB2 PHE A 30 3.434 -4.664 5.663 1.00 0.00 H new ATOM 0 HB3 PHE A 30 4.301 -3.625 6.778 1.00 0.00 H new ATOM 0 HD1 PHE A 30 4.441 -4.184 9.161 1.00 0.00 H new ATOM 0 HD2 PHE A 30 2.389 -6.729 6.429 1.00 0.00 H new ATOM 0 HE1 PHE A 30 4.472 -5.993 10.823 1.00 0.00 H new ATOM 0 HE2 PHE A 30 2.417 -8.539 8.091 1.00 0.00 H new ATOM 0 HZ PHE A 30 3.456 -8.172 10.294 1.00 0.00 H new ATOM 427 N LYS A 31 2.072 -0.898 6.882 1.00 0.00 N ATOM 428 CA LYS A 31 2.312 0.469 6.435 1.00 0.00 C ATOM 429 C LYS A 31 3.711 0.932 6.828 1.00 0.00 C ATOM 430 O LYS A 31 4.076 0.910 8.004 1.00 0.00 O ATOM 431 CB LYS A 31 1.264 1.413 7.029 1.00 0.00 C ATOM 432 CG LYS A 31 1.101 2.708 6.251 1.00 0.00 C ATOM 433 CD LYS A 31 0.313 3.738 7.041 1.00 0.00 C ATOM 434 CE LYS A 31 1.181 4.424 8.085 1.00 0.00 C ATOM 435 NZ LYS A 31 1.179 3.686 9.379 1.00 0.00 N ATOM 0 H LYS A 31 1.562 -0.970 7.763 1.00 0.00 H new ATOM 0 HA LYS A 31 2.234 0.489 5.348 1.00 0.00 H new ATOM 0 HB2 LYS A 31 0.304 0.899 7.067 1.00 0.00 H new ATOM 0 HB3 LYS A 31 1.540 1.649 8.057 1.00 0.00 H new ATOM 0 HG2 LYS A 31 2.083 3.111 6.004 1.00 0.00 H new ATOM 0 HG3 LYS A 31 0.593 2.505 5.308 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -0.097 4.484 6.360 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -0.532 3.254 7.530 1.00 0.00 H new ATOM 0 HE2 LYS A 31 2.203 4.503 7.713 1.00 0.00 H new ATOM 0 HE3 LYS A 31 0.821 5.440 8.246 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 1.075 4.361 10.163 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 0.386 3.014 9.394 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 2.074 3.168 9.484 1.00 0.00 H new ATOM 449 N CYS A 32 4.490 1.353 5.837 1.00 0.00 N ATOM 450 CA CYS A 32 5.849 1.823 6.079 1.00 0.00 C ATOM 451 C CYS A 32 5.849 3.287 6.509 1.00 0.00 C ATOM 452 O CYS A 32 4.871 4.007 6.305 1.00 0.00 O ATOM 453 CB CYS A 32 6.702 1.649 4.822 1.00 0.00 C ATOM 454 SG CYS A 32 8.394 2.309 4.974 1.00 0.00 S ATOM 0 H CYS A 32 4.203 1.378 4.858 1.00 0.00 H new ATOM 0 HA CYS A 32 6.276 1.226 6.885 1.00 0.00 H new ATOM 0 HB2 CYS A 32 6.758 0.588 4.578 1.00 0.00 H new ATOM 0 HB3 CYS A 32 6.205 2.143 3.987 1.00 0.00 H new ATOM 459 N LYS A 33 6.954 3.723 7.105 1.00 0.00 N ATOM 460 CA LYS A 33 7.085 5.101 7.563 1.00 0.00 C ATOM 461 C LYS A 33 6.862 6.079 6.414 1.00 0.00 C ATOM 462 O LYS A 33 6.396 7.200 6.621 1.00 0.00 O ATOM 463 CB LYS A 33 8.468 5.327 8.178 1.00 0.00 C ATOM 464 CG LYS A 33 8.584 4.837 9.611 1.00 0.00 C ATOM 465 CD LYS A 33 9.657 5.594 10.374 1.00 0.00 C ATOM 466 CE LYS A 33 11.036 4.995 10.138 1.00 0.00 C ATOM 467 NZ LYS A 33 11.325 3.880 11.082 1.00 0.00 N ATOM 0 H LYS A 33 7.773 3.141 7.282 1.00 0.00 H new ATOM 0 HA LYS A 33 6.323 5.279 8.322 1.00 0.00 H new ATOM 0 HB2 LYS A 33 9.215 4.819 7.568 1.00 0.00 H new ATOM 0 HB3 LYS A 33 8.701 6.391 8.147 1.00 0.00 H new ATOM 0 HG2 LYS A 33 7.625 4.956 10.116 1.00 0.00 H new ATOM 0 HG3 LYS A 33 8.817 3.772 9.615 1.00 0.00 H new ATOM 0 HD2 LYS A 33 9.655 6.639 10.065 1.00 0.00 H new ATOM 0 HD3 LYS A 33 9.429 5.576 11.440 1.00 0.00 H new ATOM 0 HE2 LYS A 33 11.103 4.630 9.113 1.00 0.00 H new ATOM 0 HE3 LYS A 33 11.793 5.771 10.250 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 12.273 3.499 10.889 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 11.286 4.234 12.059 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 10.618 3.128 10.958 1.00 0.00 H new ATOM 481 N CYS A 34 7.196 5.648 5.202 1.00 0.00 N ATOM 482 CA CYS A 34 7.031 6.485 4.020 1.00 0.00 C ATOM 483 C CYS A 34 5.555 6.761 3.750 1.00 0.00 C ATOM 484 O CYS A 34 5.186 7.851 3.315 1.00 0.00 O ATOM 485 CB CYS A 34 7.666 5.812 2.801 1.00 0.00 C ATOM 486 SG CYS A 34 7.096 4.107 2.512 1.00 0.00 S ATOM 0 H CYS A 34 7.583 4.723 5.013 1.00 0.00 H new ATOM 0 HA CYS A 34 7.532 7.435 4.205 1.00 0.00 H new ATOM 0 HB2 CYS A 34 7.451 6.411 1.916 1.00 0.00 H new ATOM 0 HB3 CYS A 34 8.749 5.805 2.926 1.00 0.00 H new ATOM 491 N GLY A 35 4.714 5.765 4.013 1.00 0.00 N ATOM 492 CA GLY A 35 3.288 5.921 3.793 1.00 0.00 C ATOM 493 C GLY A 35 2.765 5.001 2.707 1.00 0.00 C ATOM 494 O GLY A 35 1.819 5.343 1.997 1.00 0.00 O ATOM 0 H GLY A 35 4.995 4.853 4.374 1.00 0.00 H new ATOM 0 HA2 GLY A 35 2.756 5.720 4.723 1.00 0.00 H new ATOM 0 HA3 GLY A 35 3.076 6.955 3.522 1.00 0.00 H new ATOM 498 N SER A 36 3.383 3.831 2.576 1.00 0.00 N ATOM 499 CA SER A 36 2.978 2.862 1.566 1.00 0.00 C ATOM 500 C SER A 36 2.481 1.574 2.216 1.00 0.00 C ATOM 501 O SER A 36 2.923 1.203 3.304 1.00 0.00 O ATOM 502 CB SER A 36 4.145 2.555 0.626 1.00 0.00 C ATOM 503 OG SER A 36 4.752 3.748 0.160 1.00 0.00 O ATOM 0 H SER A 36 4.166 3.532 3.157 1.00 0.00 H new ATOM 0 HA SER A 36 2.161 3.296 0.990 1.00 0.00 H new ATOM 0 HB2 SER A 36 4.885 1.946 1.146 1.00 0.00 H new ATOM 0 HB3 SER A 36 3.789 1.969 -0.222 1.00 0.00 H new ATOM 0 HG SER A 36 5.494 3.991 0.752 1.00 0.00 H new ATOM 509 N THR A 37 1.559 0.895 1.541 1.00 0.00 N ATOM 510 CA THR A 37 1.000 -0.350 2.052 1.00 0.00 C ATOM 511 C THR A 37 1.671 -1.559 1.408 1.00 0.00 C ATOM 512 O THR A 37 1.907 -1.579 0.200 1.00 0.00 O ATOM 513 CB THR A 37 -0.518 -0.428 1.805 1.00 0.00 C ATOM 514 OG1 THR A 37 -1.142 0.800 2.198 1.00 0.00 O ATOM 515 CG2 THR A 37 -1.133 -1.585 2.578 1.00 0.00 C ATOM 0 H THR A 37 1.184 1.187 0.639 1.00 0.00 H new ATOM 0 HA THR A 37 1.187 -0.363 3.126 1.00 0.00 H new ATOM 0 HB THR A 37 -0.683 -0.594 0.740 1.00 0.00 H new ATOM 0 HG1 THR A 37 -2.107 0.743 2.036 1.00 0.00 H new ATOM 0 HG21 THR A 37 -2.206 -1.620 2.388 1.00 0.00 H new ATOM 0 HG22 THR A 37 -0.677 -2.521 2.256 1.00 0.00 H new ATOM 0 HG23 THR A 37 -0.958 -1.444 3.645 1.00 0.00 H new ATOM 523 N PHE A 38 1.975 -2.564 2.222 1.00 0.00 N ATOM 524 CA PHE A 38 2.619 -3.777 1.731 1.00 0.00 C ATOM 525 C PHE A 38 1.988 -5.018 2.355 1.00 0.00 C ATOM 526 O PHE A 38 1.295 -4.934 3.370 1.00 0.00 O ATOM 527 CB PHE A 38 4.117 -3.744 2.038 1.00 0.00 C ATOM 528 CG PHE A 38 4.784 -2.462 1.629 1.00 0.00 C ATOM 529 CD1 PHE A 38 5.233 -2.282 0.330 1.00 0.00 C ATOM 530 CD2 PHE A 38 4.964 -1.436 2.544 1.00 0.00 C ATOM 531 CE1 PHE A 38 5.847 -1.103 -0.049 1.00 0.00 C ATOM 532 CE2 PHE A 38 5.576 -0.255 2.170 1.00 0.00 C ATOM 533 CZ PHE A 38 6.020 -0.089 0.872 1.00 0.00 C ATOM 0 H PHE A 38 1.786 -2.563 3.224 1.00 0.00 H new ATOM 0 HA PHE A 38 2.477 -3.822 0.651 1.00 0.00 H new ATOM 0 HB2 PHE A 38 4.264 -3.896 3.107 1.00 0.00 H new ATOM 0 HB3 PHE A 38 4.603 -4.576 1.528 1.00 0.00 H new ATOM 0 HD1 PHE A 38 5.102 -3.072 -0.394 1.00 0.00 H new ATOM 0 HD2 PHE A 38 4.622 -1.561 3.561 1.00 0.00 H new ATOM 0 HE1 PHE A 38 6.191 -0.975 -1.065 1.00 0.00 H new ATOM 0 HE2 PHE A 38 5.707 0.538 2.892 1.00 0.00 H new ATOM 0 HZ PHE A 38 6.501 0.832 0.579 1.00 0.00 H new ATOM 543 N CYS A 39 2.233 -6.171 1.741 1.00 0.00 N ATOM 544 CA CYS A 39 1.689 -7.431 2.234 1.00 0.00 C ATOM 545 C CYS A 39 2.693 -8.140 3.138 1.00 0.00 C ATOM 546 O CYS A 39 2.792 -9.367 3.132 1.00 0.00 O ATOM 547 CB CYS A 39 1.310 -8.340 1.063 1.00 0.00 C ATOM 548 SG CYS A 39 2.737 -9.036 0.170 1.00 0.00 S ATOM 0 H CYS A 39 2.805 -6.259 0.901 1.00 0.00 H new ATOM 0 HA CYS A 39 0.795 -7.209 2.817 1.00 0.00 H new ATOM 0 HB2 CYS A 39 0.694 -9.158 1.437 1.00 0.00 H new ATOM 0 HB3 CYS A 39 0.697 -7.774 0.362 1.00 0.00 H new ATOM 553 N GLY A 40 3.437 -7.359 3.915 1.00 0.00 N ATOM 554 CA GLY A 40 4.423 -7.929 4.814 1.00 0.00 C ATOM 555 C GLY A 40 5.689 -8.349 4.094 1.00 0.00 C ATOM 556 O GLY A 40 6.795 -8.039 4.536 1.00 0.00 O ATOM 0 H GLY A 40 3.374 -6.341 3.938 1.00 0.00 H new ATOM 0 HA2 GLY A 40 4.672 -7.200 5.585 1.00 0.00 H new ATOM 0 HA3 GLY A 40 3.992 -8.793 5.320 1.00 0.00 H new ATOM 560 N SER A 41 5.528 -9.060 2.982 1.00 0.00 N ATOM 561 CA SER A 41 6.667 -9.528 2.202 1.00 0.00 C ATOM 562 C SER A 41 7.384 -8.360 1.532 1.00 0.00 C ATOM 563 O SER A 41 8.573 -8.472 1.235 1.00 0.00 O ATOM 564 CB SER A 41 6.209 -10.534 1.144 1.00 0.00 C ATOM 565 OG SER A 41 5.599 -11.663 1.745 1.00 0.00 O ATOM 0 H SER A 41 4.619 -9.324 2.601 1.00 0.00 H new ATOM 0 HA SER A 41 7.364 -10.018 2.882 1.00 0.00 H new ATOM 0 HB2 SER A 41 5.505 -10.056 0.463 1.00 0.00 H new ATOM 0 HB3 SER A 41 7.063 -10.853 0.547 1.00 0.00 H new ATOM 0 HG SER A 41 5.313 -12.290 1.048 1.00 0.00 H new ATOM 571 N HIS A 42 6.655 -7.276 1.311 1.00 0.00 N ATOM 572 CA HIS A 42 7.231 -6.102 0.679 1.00 0.00 C ATOM 573 C HIS A 42 7.135 -4.908 1.631 1.00 0.00 C ATOM 574 O HIS A 42 7.121 -3.747 1.221 1.00 0.00 O ATOM 575 CB HIS A 42 6.572 -5.835 -0.676 1.00 0.00 C ATOM 576 CG HIS A 42 6.515 -7.044 -1.579 1.00 0.00 C ATOM 577 ND1 HIS A 42 5.397 -7.368 -2.328 1.00 0.00 N ATOM 578 CD2 HIS A 42 7.448 -8.002 -1.847 1.00 0.00 C ATOM 579 CE1 HIS A 42 5.657 -8.473 -3.011 1.00 0.00 C ATOM 580 NE2 HIS A 42 6.929 -8.864 -2.711 1.00 0.00 N ATOM 0 H HIS A 42 5.670 -7.186 1.559 1.00 0.00 H new ATOM 0 HA HIS A 42 8.288 -6.276 0.475 1.00 0.00 H new ATOM 0 HB2 HIS A 42 5.558 -5.470 -0.510 1.00 0.00 H new ATOM 0 HB3 HIS A 42 7.118 -5.040 -1.184 1.00 0.00 H new ATOM 0 HD1 HIS A 42 4.522 -6.845 -2.350 1.00 0.00 H new ATOM 0 HD2 HIS A 42 8.442 -8.050 -1.427 1.00 0.00 H new ATOM 0 HE1 HIS A 42 4.981 -8.976 -3.687 1.00 0.00 H new ATOM 588 N ARG A 43 7.069 -5.221 2.920 1.00 0.00 N ATOM 589 CA ARG A 43 6.972 -4.196 3.952 1.00 0.00 C ATOM 590 C ARG A 43 8.311 -3.489 4.144 1.00 0.00 C ATOM 591 O ARG A 43 8.374 -2.403 4.719 1.00 0.00 O ATOM 592 CB ARG A 43 6.516 -4.814 5.275 1.00 0.00 C ATOM 593 CG ARG A 43 7.589 -5.642 5.962 1.00 0.00 C ATOM 594 CD ARG A 43 7.006 -6.491 7.081 1.00 0.00 C ATOM 595 NE ARG A 43 7.985 -6.761 8.130 1.00 0.00 N ATOM 596 CZ ARG A 43 8.230 -5.932 9.139 1.00 0.00 C ATOM 597 NH1 ARG A 43 7.569 -4.786 9.235 1.00 0.00 N ATOM 598 NH2 ARG A 43 9.136 -6.248 10.055 1.00 0.00 N ATOM 0 H ARG A 43 7.081 -6.177 3.275 1.00 0.00 H new ATOM 0 HA ARG A 43 6.235 -3.461 3.629 1.00 0.00 H new ATOM 0 HB2 ARG A 43 6.197 -4.018 5.948 1.00 0.00 H new ATOM 0 HB3 ARG A 43 5.645 -5.443 5.091 1.00 0.00 H new ATOM 0 HG2 ARG A 43 8.076 -6.287 5.231 1.00 0.00 H new ATOM 0 HG3 ARG A 43 8.356 -4.982 6.367 1.00 0.00 H new ATOM 0 HD2 ARG A 43 6.144 -5.981 7.512 1.00 0.00 H new ATOM 0 HD3 ARG A 43 6.645 -7.434 6.670 1.00 0.00 H new ATOM 0 HE ARG A 43 8.510 -7.634 8.086 1.00 0.00 H new ATOM 0 HH11 ARG A 43 6.871 -4.540 8.533 1.00 0.00 H new ATOM 0 HH12 ARG A 43 7.759 -4.151 10.011 1.00 0.00 H new ATOM 0 HH21 ARG A 43 9.646 -7.129 9.985 1.00 0.00 H new ATOM 0 HH22 ARG A 43 9.323 -5.610 10.829 1.00 0.00 H new ATOM 612 N TYR A 44 9.378 -4.114 3.658 1.00 0.00 N ATOM 613 CA TYR A 44 10.716 -3.547 3.779 1.00 0.00 C ATOM 614 C TYR A 44 10.912 -2.399 2.793 1.00 0.00 C ATOM 615 O TYR A 44 10.335 -2.375 1.706 1.00 0.00 O ATOM 616 CB TYR A 44 11.773 -4.626 3.539 1.00 0.00 C ATOM 617 CG TYR A 44 11.581 -5.862 4.388 1.00 0.00 C ATOM 618 CD1 TYR A 44 10.741 -6.889 3.975 1.00 0.00 C ATOM 619 CD2 TYR A 44 12.238 -6.003 5.604 1.00 0.00 C ATOM 620 CE1 TYR A 44 10.561 -8.020 4.748 1.00 0.00 C ATOM 621 CE2 TYR A 44 12.066 -7.131 6.383 1.00 0.00 C ATOM 622 CZ TYR A 44 11.226 -8.136 5.950 1.00 0.00 C ATOM 623 OH TYR A 44 11.050 -9.261 6.724 1.00 0.00 O ATOM 0 H TYR A 44 9.342 -5.013 3.177 1.00 0.00 H new ATOM 0 HA TYR A 44 10.828 -3.157 4.791 1.00 0.00 H new ATOM 0 HB2 TYR A 44 11.756 -4.912 2.487 1.00 0.00 H new ATOM 0 HB3 TYR A 44 12.759 -4.207 3.740 1.00 0.00 H new ATOM 0 HD1 TYR A 44 10.220 -6.802 3.033 1.00 0.00 H new ATOM 0 HD2 TYR A 44 12.895 -5.217 5.946 1.00 0.00 H new ATOM 0 HE1 TYR A 44 9.903 -8.808 4.413 1.00 0.00 H new ATOM 0 HE2 TYR A 44 12.586 -7.225 7.325 1.00 0.00 H new ATOM 0 HH TYR A 44 11.590 -9.186 7.538 1.00 0.00 H new ATOM 633 N PRO A 45 11.747 -1.424 3.181 1.00 0.00 N ATOM 634 CA PRO A 45 12.040 -0.255 2.347 1.00 0.00 C ATOM 635 C PRO A 45 12.871 -0.612 1.119 1.00 0.00 C ATOM 636 O PRO A 45 12.690 -0.037 0.047 1.00 0.00 O ATOM 637 CB PRO A 45 12.835 0.659 3.283 1.00 0.00 C ATOM 638 CG PRO A 45 13.450 -0.263 4.279 1.00 0.00 C ATOM 639 CD PRO A 45 12.469 -1.387 4.464 1.00 0.00 C ATOM 0 HA PRO A 45 11.132 0.202 1.953 1.00 0.00 H new ATOM 0 HB2 PRO A 45 13.596 1.218 2.738 1.00 0.00 H new ATOM 0 HB3 PRO A 45 12.187 1.390 3.767 1.00 0.00 H new ATOM 0 HG2 PRO A 45 14.410 -0.637 3.923 1.00 0.00 H new ATOM 0 HG3 PRO A 45 13.638 0.250 5.222 1.00 0.00 H new ATOM 0 HD2 PRO A 45 12.974 -2.331 4.669 1.00 0.00 H new ATOM 0 HD3 PRO A 45 11.795 -1.198 5.299 1.00 0.00 H new ATOM 647 N GLU A 46 13.783 -1.566 1.285 1.00 0.00 N ATOM 648 CA GLU A 46 14.642 -1.999 0.189 1.00 0.00 C ATOM 649 C GLU A 46 13.826 -2.684 -0.904 1.00 0.00 C ATOM 650 O GLU A 46 14.270 -2.799 -2.047 1.00 0.00 O ATOM 651 CB GLU A 46 15.724 -2.950 0.705 1.00 0.00 C ATOM 652 CG GLU A 46 15.172 -4.147 1.460 1.00 0.00 C ATOM 653 CD GLU A 46 16.251 -4.924 2.190 1.00 0.00 C ATOM 654 OE1 GLU A 46 17.425 -4.846 1.772 1.00 0.00 O ATOM 655 OE2 GLU A 46 15.920 -5.609 3.180 1.00 0.00 O ATOM 0 H GLU A 46 13.945 -2.053 2.167 1.00 0.00 H new ATOM 0 HA GLU A 46 15.118 -1.116 -0.237 1.00 0.00 H new ATOM 0 HB2 GLU A 46 16.316 -3.305 -0.138 1.00 0.00 H new ATOM 0 HB3 GLU A 46 16.399 -2.398 1.359 1.00 0.00 H new ATOM 0 HG2 GLU A 46 14.426 -3.807 2.178 1.00 0.00 H new ATOM 0 HG3 GLU A 46 14.662 -4.810 0.761 1.00 0.00 H new ATOM 662 N LYS A 47 12.630 -3.139 -0.544 1.00 0.00 N ATOM 663 CA LYS A 47 11.750 -3.812 -1.492 1.00 0.00 C ATOM 664 C LYS A 47 10.688 -2.855 -2.022 1.00 0.00 C ATOM 665 O LYS A 47 9.655 -3.313 -2.509 1.00 0.00 O ATOM 666 CB LYS A 47 11.081 -5.018 -0.829 1.00 0.00 C ATOM 667 CG LYS A 47 12.066 -6.015 -0.243 1.00 0.00 C ATOM 668 CD LYS A 47 12.797 -6.782 -1.332 1.00 0.00 C ATOM 669 CE LYS A 47 14.189 -7.198 -0.883 1.00 0.00 C ATOM 670 NZ LYS A 47 14.960 -7.839 -1.984 1.00 0.00 N ATOM 0 H LYS A 47 12.248 -3.054 0.398 1.00 0.00 H new ATOM 0 HA LYS A 47 12.355 -4.155 -2.331 1.00 0.00 H new ATOM 0 HB2 LYS A 47 10.419 -4.666 -0.038 1.00 0.00 H new ATOM 0 HB3 LYS A 47 10.457 -5.526 -1.564 1.00 0.00 H new ATOM 0 HG2 LYS A 47 12.789 -5.490 0.381 1.00 0.00 H new ATOM 0 HG3 LYS A 47 11.536 -6.715 0.403 1.00 0.00 H new ATOM 0 HD2 LYS A 47 12.222 -7.667 -1.604 1.00 0.00 H new ATOM 0 HD3 LYS A 47 12.872 -6.163 -2.226 1.00 0.00 H new ATOM 0 HE2 LYS A 47 14.730 -6.323 -0.522 1.00 0.00 H new ATOM 0 HE3 LYS A 47 14.108 -7.891 -0.045 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 15.903 -8.108 -1.637 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 14.457 -8.688 -2.312 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 15.060 -7.169 -2.774 1.00 0.00 H new ATOM 684 N HIS A 48 10.960 -1.563 -1.919 1.00 0.00 N ATOM 685 CA HIS A 48 10.021 -0.560 -2.392 1.00 0.00 C ATOM 686 C HIS A 48 10.654 0.828 -2.284 1.00 0.00 C ATOM 687 O HIS A 48 11.121 1.251 -1.226 1.00 0.00 O ATOM 688 CB HIS A 48 8.690 -0.665 -1.644 1.00 0.00 C ATOM 689 CG HIS A 48 8.673 0.056 -0.317 1.00 0.00 C ATOM 690 ND1 HIS A 48 8.599 -0.607 0.896 1.00 0.00 N ATOM 691 CD2 HIS A 48 8.723 1.388 -0.026 1.00 0.00 C ATOM 692 CE1 HIS A 48 8.603 0.295 1.866 1.00 0.00 C ATOM 693 NE2 HIS A 48 8.680 1.531 1.293 1.00 0.00 N ATOM 0 H HIS A 48 11.818 -1.187 -1.515 1.00 0.00 H new ATOM 0 HA HIS A 48 9.795 -0.737 -3.444 1.00 0.00 H new ATOM 0 HB2 HIS A 48 7.898 -0.262 -2.275 1.00 0.00 H new ATOM 0 HB3 HIS A 48 8.461 -1.717 -1.477 1.00 0.00 H new ATOM 0 HD1 HIS A 48 8.550 -1.618 1.021 1.00 0.00 H new ATOM 0 HD2 HIS A 48 8.787 2.190 -0.747 1.00 0.00 H new ATOM 0 HE1 HIS A 48 8.554 0.088 2.925 1.00 0.00 H new ATOM 701 N GLU A 49 10.659 1.533 -3.411 1.00 0.00 N ATOM 702 CA GLU A 49 11.228 2.874 -3.469 1.00 0.00 C ATOM 703 C GLU A 49 10.823 3.692 -2.246 1.00 0.00 C ATOM 704 O GLU A 49 9.785 4.355 -2.245 1.00 0.00 O ATOM 705 CB GLU A 49 10.778 3.588 -4.746 1.00 0.00 C ATOM 706 CG GLU A 49 9.268 3.654 -4.906 1.00 0.00 C ATOM 707 CD GLU A 49 8.845 3.964 -6.328 1.00 0.00 C ATOM 708 OE1 GLU A 49 9.629 4.614 -7.051 1.00 0.00 O ATOM 709 OE2 GLU A 49 7.731 3.557 -6.719 1.00 0.00 O ATOM 0 H GLU A 49 10.276 1.198 -4.295 1.00 0.00 H new ATOM 0 HA GLU A 49 12.314 2.780 -3.477 1.00 0.00 H new ATOM 0 HB2 GLU A 49 11.180 4.601 -4.747 1.00 0.00 H new ATOM 0 HB3 GLU A 49 11.204 3.076 -5.608 1.00 0.00 H new ATOM 0 HG2 GLU A 49 8.832 2.703 -4.601 1.00 0.00 H new ATOM 0 HG3 GLU A 49 8.869 4.417 -4.238 1.00 0.00 H new ATOM 716 N CYS A 50 11.648 3.638 -1.206 1.00 0.00 N ATOM 717 CA CYS A 50 11.377 4.371 0.025 1.00 0.00 C ATOM 718 C CYS A 50 12.229 5.634 0.104 1.00 0.00 C ATOM 719 O CYS A 50 13.435 5.568 0.337 1.00 0.00 O ATOM 720 CB CYS A 50 11.646 3.484 1.241 1.00 0.00 C ATOM 721 SG CYS A 50 10.927 4.111 2.793 1.00 0.00 S ATOM 0 H CYS A 50 12.511 3.094 -1.191 1.00 0.00 H new ATOM 0 HA CYS A 50 10.327 4.662 0.022 1.00 0.00 H new ATOM 0 HB2 CYS A 50 11.249 2.488 1.046 1.00 0.00 H new ATOM 0 HB3 CYS A 50 12.723 3.378 1.369 1.00 0.00 H new ATOM 726 N SER A 51 11.591 6.784 -0.091 1.00 0.00 N ATOM 727 CA SER A 51 12.290 8.063 -0.045 1.00 0.00 C ATOM 728 C SER A 51 12.182 8.692 1.340 1.00 0.00 C ATOM 729 O SER A 51 12.061 9.910 1.474 1.00 0.00 O ATOM 730 CB SER A 51 11.721 9.018 -1.097 1.00 0.00 C ATOM 731 OG SER A 51 12.079 8.607 -2.405 1.00 0.00 O ATOM 0 H SER A 51 10.592 6.856 -0.282 1.00 0.00 H new ATOM 0 HA SER A 51 13.343 7.881 -0.261 1.00 0.00 H new ATOM 0 HB2 SER A 51 10.635 9.056 -1.009 1.00 0.00 H new ATOM 0 HB3 SER A 51 12.091 10.027 -0.915 1.00 0.00 H new ATOM 0 HG SER A 51 11.702 9.232 -3.059 1.00 0.00 H new ATOM 737 N PHE A 52 12.226 7.852 2.370 1.00 0.00 N ATOM 738 CA PHE A 52 12.132 8.325 3.746 1.00 0.00 C ATOM 739 C PHE A 52 13.517 8.448 4.375 1.00 0.00 C ATOM 740 O PHE A 52 14.342 7.540 4.267 1.00 0.00 O ATOM 741 CB PHE A 52 11.265 7.374 4.575 1.00 0.00 C ATOM 742 CG PHE A 52 11.011 7.861 5.973 1.00 0.00 C ATOM 743 CD1 PHE A 52 12.053 7.982 6.879 1.00 0.00 C ATOM 744 CD2 PHE A 52 9.731 8.197 6.382 1.00 0.00 C ATOM 745 CE1 PHE A 52 11.822 8.429 8.166 1.00 0.00 C ATOM 746 CE2 PHE A 52 9.494 8.645 7.668 1.00 0.00 C ATOM 747 CZ PHE A 52 10.541 8.762 8.561 1.00 0.00 C ATOM 0 H PHE A 52 12.326 6.841 2.277 1.00 0.00 H new ATOM 0 HA PHE A 52 11.669 9.312 3.735 1.00 0.00 H new ATOM 0 HB2 PHE A 52 10.310 7.231 4.069 1.00 0.00 H new ATOM 0 HB3 PHE A 52 11.750 6.399 4.621 1.00 0.00 H new ATOM 0 HD1 PHE A 52 13.057 7.724 6.576 1.00 0.00 H new ATOM 0 HD2 PHE A 52 8.908 8.108 5.688 1.00 0.00 H new ATOM 0 HE1 PHE A 52 12.643 8.518 8.863 1.00 0.00 H new ATOM 0 HE2 PHE A 52 8.491 8.903 7.974 1.00 0.00 H new ATOM 0 HZ PHE A 52 10.359 9.113 9.566 1.00 0.00 H new ATOM 757 N ASP A 53 13.764 9.576 5.030 1.00 0.00 N ATOM 758 CA ASP A 53 15.048 9.819 5.677 1.00 0.00 C ATOM 759 C ASP A 53 15.143 9.064 6.999 1.00 0.00 C ATOM 760 O ASP A 53 14.834 9.607 8.059 1.00 0.00 O ATOM 761 CB ASP A 53 15.248 11.317 5.915 1.00 0.00 C ATOM 762 CG ASP A 53 16.685 11.663 6.253 1.00 0.00 C ATOM 763 OD1 ASP A 53 17.595 11.129 5.586 1.00 0.00 O ATOM 764 OD2 ASP A 53 16.899 12.467 7.184 1.00 0.00 O ATOM 0 H ASP A 53 13.092 10.337 5.127 1.00 0.00 H new ATOM 0 HA ASP A 53 15.834 9.456 5.015 1.00 0.00 H new ATOM 0 HB2 ASP A 53 14.945 11.867 5.024 1.00 0.00 H new ATOM 0 HB3 ASP A 53 14.598 11.643 6.727 1.00 0.00 H new ATOM 769 N PHE A 54 15.570 7.808 6.927 1.00 0.00 N ATOM 770 CA PHE A 54 15.703 6.976 8.118 1.00 0.00 C ATOM 771 C PHE A 54 16.811 7.501 9.027 1.00 0.00 C ATOM 772 O PHE A 54 16.624 7.642 10.235 1.00 0.00 O ATOM 773 CB PHE A 54 15.995 5.527 7.724 1.00 0.00 C ATOM 774 CG PHE A 54 14.767 4.750 7.344 1.00 0.00 C ATOM 775 CD1 PHE A 54 14.206 4.887 6.085 1.00 0.00 C ATOM 776 CD2 PHE A 54 14.174 3.883 8.248 1.00 0.00 C ATOM 777 CE1 PHE A 54 13.076 4.173 5.733 1.00 0.00 C ATOM 778 CE2 PHE A 54 13.044 3.166 7.901 1.00 0.00 C ATOM 779 CZ PHE A 54 12.494 3.312 6.642 1.00 0.00 C ATOM 0 H PHE A 54 15.830 7.344 6.057 1.00 0.00 H new ATOM 0 HA PHE A 54 14.760 7.014 8.664 1.00 0.00 H new ATOM 0 HB2 PHE A 54 16.693 5.520 6.887 1.00 0.00 H new ATOM 0 HB3 PHE A 54 16.490 5.025 8.556 1.00 0.00 H new ATOM 0 HD1 PHE A 54 14.657 5.559 5.370 1.00 0.00 H new ATOM 0 HD2 PHE A 54 14.599 3.766 9.234 1.00 0.00 H new ATOM 0 HE1 PHE A 54 12.649 4.289 4.748 1.00 0.00 H new ATOM 0 HE2 PHE A 54 12.592 2.492 8.614 1.00 0.00 H new ATOM 0 HZ PHE A 54 11.611 2.754 6.369 1.00 0.00 H new ATOM 789 N LYS A 55 17.966 7.789 8.436 1.00 0.00 N ATOM 790 CA LYS A 55 19.105 8.299 9.190 1.00 0.00 C ATOM 791 C LYS A 55 18.764 9.627 9.859 1.00 0.00 C ATOM 792 O LYS A 55 17.705 10.202 9.612 1.00 0.00 O ATOM 793 CB LYS A 55 20.314 8.476 8.269 1.00 0.00 C ATOM 794 CG LYS A 55 20.908 7.164 7.786 1.00 0.00 C ATOM 795 CD LYS A 55 21.900 6.598 8.789 1.00 0.00 C ATOM 796 CE LYS A 55 22.837 5.592 8.139 1.00 0.00 C ATOM 797 NZ LYS A 55 24.062 6.245 7.599 1.00 0.00 N ATOM 0 H LYS A 55 18.138 7.678 7.437 1.00 0.00 H new ATOM 0 HA LYS A 55 19.350 7.573 9.966 1.00 0.00 H new ATOM 0 HB2 LYS A 55 20.018 9.071 7.405 1.00 0.00 H new ATOM 0 HB3 LYS A 55 21.083 9.041 8.797 1.00 0.00 H new ATOM 0 HG2 LYS A 55 20.109 6.442 7.616 1.00 0.00 H new ATOM 0 HG3 LYS A 55 21.406 7.319 6.829 1.00 0.00 H new ATOM 0 HD2 LYS A 55 22.482 7.410 9.225 1.00 0.00 H new ATOM 0 HD3 LYS A 55 21.360 6.119 9.606 1.00 0.00 H new ATOM 0 HE2 LYS A 55 23.121 4.835 8.870 1.00 0.00 H new ATOM 0 HE3 LYS A 55 22.314 5.077 7.333 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 24.675 5.527 7.164 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 23.793 6.950 6.883 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 24.574 6.715 8.372 1.00 0.00 H new ATOM 811 N GLU A 56 19.670 10.108 10.705 1.00 0.00 N ATOM 812 CA GLU A 56 19.463 11.368 11.409 1.00 0.00 C ATOM 813 C GLU A 56 20.774 12.140 11.538 1.00 0.00 C ATOM 814 O GLU A 56 21.726 11.667 12.159 1.00 0.00 O ATOM 815 CB GLU A 56 18.870 11.113 12.796 1.00 0.00 C ATOM 816 CG GLU A 56 17.363 10.916 12.786 1.00 0.00 C ATOM 817 CD GLU A 56 16.819 10.517 14.144 1.00 0.00 C ATOM 818 OE1 GLU A 56 17.390 9.596 14.764 1.00 0.00 O ATOM 819 OE2 GLU A 56 15.822 11.126 14.586 1.00 0.00 O ATOM 0 H GLU A 56 20.553 9.645 10.919 1.00 0.00 H new ATOM 0 HA GLU A 56 18.763 11.968 10.828 1.00 0.00 H new ATOM 0 HB2 GLU A 56 19.341 10.229 13.226 1.00 0.00 H new ATOM 0 HB3 GLU A 56 19.114 11.953 13.446 1.00 0.00 H new ATOM 0 HG2 GLU A 56 16.882 11.839 12.463 1.00 0.00 H new ATOM 0 HG3 GLU A 56 17.105 10.149 12.056 1.00 0.00 H new ATOM 826 N VAL A 57 20.814 13.329 10.947 1.00 0.00 N ATOM 827 CA VAL A 57 22.006 14.167 10.996 1.00 0.00 C ATOM 828 C VAL A 57 21.637 15.640 11.131 1.00 0.00 C ATOM 829 O VAL A 57 20.764 16.140 10.423 1.00 0.00 O ATOM 830 CB VAL A 57 22.876 13.980 9.738 1.00 0.00 C ATOM 831 CG1 VAL A 57 24.074 14.916 9.773 1.00 0.00 C ATOM 832 CG2 VAL A 57 23.323 12.532 9.611 1.00 0.00 C ATOM 0 H VAL A 57 20.035 13.734 10.428 1.00 0.00 H new ATOM 0 HA VAL A 57 22.575 13.856 11.872 1.00 0.00 H new ATOM 0 HB VAL A 57 22.277 14.229 8.862 1.00 0.00 H new ATOM 0 HG11 VAL A 57 24.677 14.769 8.877 1.00 0.00 H new ATOM 0 HG12 VAL A 57 23.728 15.949 9.813 1.00 0.00 H new ATOM 0 HG13 VAL A 57 24.678 14.702 10.655 1.00 0.00 H new ATOM 0 HG21 VAL A 57 23.936 12.418 8.717 1.00 0.00 H new ATOM 0 HG22 VAL A 57 23.905 12.253 10.489 1.00 0.00 H new ATOM 0 HG23 VAL A 57 22.448 11.886 9.536 1.00 0.00 H new ATOM 842 N GLY A 58 22.311 16.332 12.045 1.00 0.00 N ATOM 843 CA GLY A 58 22.040 17.742 12.256 1.00 0.00 C ATOM 844 C GLY A 58 22.362 18.584 11.038 1.00 0.00 C ATOM 845 O GLY A 58 23.525 18.898 10.782 1.00 0.00 O ATOM 0 H GLY A 58 23.039 15.941 12.643 1.00 0.00 H new ATOM 0 HA2 GLY A 58 20.989 17.872 12.516 1.00 0.00 H new ATOM 0 HA3 GLY A 58 22.624 18.098 13.104 1.00 0.00 H new ATOM 849 N SER A 59 21.331 18.948 10.282 1.00 0.00 N ATOM 850 CA SER A 59 21.511 19.753 9.080 1.00 0.00 C ATOM 851 C SER A 59 20.305 20.658 8.847 1.00 0.00 C ATOM 852 O SER A 59 19.262 20.497 9.479 1.00 0.00 O ATOM 853 CB SER A 59 21.728 18.851 7.864 1.00 0.00 C ATOM 854 OG SER A 59 23.067 18.392 7.801 1.00 0.00 O ATOM 0 H SER A 59 20.362 18.698 10.481 1.00 0.00 H new ATOM 0 HA SER A 59 22.392 20.379 9.221 1.00 0.00 H new ATOM 0 HB2 SER A 59 21.050 17.999 7.914 1.00 0.00 H new ATOM 0 HB3 SER A 59 21.485 19.398 6.953 1.00 0.00 H new ATOM 0 HG SER A 59 23.491 18.499 8.678 1.00 0.00 H new ATOM 860 N GLY A 60 20.457 21.612 7.933 1.00 0.00 N ATOM 861 CA GLY A 60 19.373 22.530 7.632 1.00 0.00 C ATOM 862 C GLY A 60 18.591 22.119 6.401 1.00 0.00 C ATOM 863 O GLY A 60 18.128 20.984 6.283 1.00 0.00 O ATOM 0 H GLY A 60 21.311 21.766 7.396 1.00 0.00 H new ATOM 0 HA2 GLY A 60 18.698 22.583 8.486 1.00 0.00 H new ATOM 0 HA3 GLY A 60 19.779 23.531 7.484 1.00 0.00 H new ATOM 867 N PRO A 61 18.432 23.058 5.456 1.00 0.00 N ATOM 868 CA PRO A 61 17.699 22.811 4.211 1.00 0.00 C ATOM 869 C PRO A 61 18.442 21.859 3.279 1.00 0.00 C ATOM 870 O PRO A 61 19.580 22.119 2.890 1.00 0.00 O ATOM 871 CB PRO A 61 17.593 24.201 3.580 1.00 0.00 C ATOM 872 CG PRO A 61 18.748 24.959 4.137 1.00 0.00 C ATOM 873 CD PRO A 61 18.957 24.432 5.530 1.00 0.00 C ATOM 0 HA PRO A 61 16.735 22.336 4.394 1.00 0.00 H new ATOM 0 HB2 PRO A 61 17.642 24.147 2.492 1.00 0.00 H new ATOM 0 HB3 PRO A 61 16.647 24.679 3.833 1.00 0.00 H new ATOM 0 HG2 PRO A 61 19.640 24.815 3.527 1.00 0.00 H new ATOM 0 HG3 PRO A 61 18.542 26.029 4.152 1.00 0.00 H new ATOM 0 HD2 PRO A 61 20.010 24.445 5.811 1.00 0.00 H new ATOM 0 HD3 PRO A 61 18.422 25.028 6.270 1.00 0.00 H new ATOM 881 N SER A 62 17.791 20.756 2.926 1.00 0.00 N ATOM 882 CA SER A 62 18.391 19.763 2.042 1.00 0.00 C ATOM 883 C SER A 62 18.874 20.410 0.747 1.00 0.00 C ATOM 884 O SER A 62 18.398 21.476 0.358 1.00 0.00 O ATOM 885 CB SER A 62 17.386 18.654 1.728 1.00 0.00 C ATOM 886 OG SER A 62 17.338 17.698 2.773 1.00 0.00 O ATOM 0 H SER A 62 16.847 20.527 3.238 1.00 0.00 H new ATOM 0 HA SER A 62 19.250 19.329 2.554 1.00 0.00 H new ATOM 0 HB2 SER A 62 16.396 19.087 1.581 1.00 0.00 H new ATOM 0 HB3 SER A 62 17.661 18.163 0.794 1.00 0.00 H new ATOM 0 HG SER A 62 16.687 17.001 2.549 1.00 0.00 H new ATOM 892 N SER A 63 19.822 19.755 0.084 1.00 0.00 N ATOM 893 CA SER A 63 20.373 20.267 -1.165 1.00 0.00 C ATOM 894 C SER A 63 19.684 19.626 -2.366 1.00 0.00 C ATOM 895 O SER A 63 19.205 18.495 -2.290 1.00 0.00 O ATOM 896 CB SER A 63 21.879 20.006 -1.228 1.00 0.00 C ATOM 897 OG SER A 63 22.433 20.501 -2.434 1.00 0.00 O ATOM 0 H SER A 63 20.224 18.869 0.391 1.00 0.00 H new ATOM 0 HA SER A 63 20.196 21.342 -1.197 1.00 0.00 H new ATOM 0 HB2 SER A 63 22.369 20.480 -0.378 1.00 0.00 H new ATOM 0 HB3 SER A 63 22.069 18.936 -1.149 1.00 0.00 H new ATOM 0 HG SER A 63 23.397 20.323 -2.449 1.00 0.00 H new ATOM 903 N GLY A 64 19.637 20.358 -3.475 1.00 0.00 N ATOM 904 CA GLY A 64 19.005 19.846 -4.676 1.00 0.00 C ATOM 905 C GLY A 64 19.785 18.707 -5.302 1.00 0.00 C ATOM 906 O GLY A 64 20.376 17.914 -4.571 1.00 0.00 O ATOM 0 H GLY A 64 20.026 21.297 -3.563 1.00 0.00 H new ATOM 0 HA2 GLY A 64 17.999 19.504 -4.435 1.00 0.00 H new ATOM 0 HA3 GLY A 64 18.902 20.653 -5.401 1.00 0.00 H new TER 910 GLY A 64 HETATM 911 ZN ZN A 200 3.575 -7.908 -1.634 1.00 0.00 ZN HETATM 912 ZN ZN A 400 9.036 2.823 2.801 1.00 0.00 ZN