USER MOD reduce.3.24.130724 H: found=0, std=0, add=557, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 551 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 Set 1.1: A 56 SER OG : rot -159:sc= 1.12 USER MOD Set 1.2: A 58 THR OG1 : rot 58:sc= 1.15 USER MOD Set 2.1: A 14 SER OG : rot 180:sc= -0.0544 USER MOD Set 2.2: A 15 GLN : amide:sc= -1.08 K(o=-1.1,f=-3.1!) USER MOD Set 3.1: A 11 THR OG1 : rot 180:sc= 0.453 USER MOD Set 3.2: A 13 SER OG : rot -100:sc= 0.435 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= -0.0151 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 8 THR OG1 : rot 21:sc= 0.0707 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 22 HIS : no HE2:sc= -1.74 K(o=-1.7,f=-4.7!) USER MOD Single : A 23 CYS SG : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot 42:sc= 0.285 USER MOD Single : A 36 HIS : no HD1:sc= -0.307 X(o=-0.31,f=-0.24) USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 42 HIS : no HD1:sc= -3.19! K(o=-3.2!,f=-2.2) USER MOD Single : A 45 HIS : no HE2:sc= -4.52 X(o=-4.5,f=-4.7!) USER MOD Single : A 46 GLN : amide:sc= 0 X(o=0,f=-0.27) USER MOD Single : A 50 GLN : amide:sc= -1.36 K(o=-1.4,f=-3.3!) USER MOD Single : A 51 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 60 CYS SG : rot 180:sc= -0.801 USER MOD Single : A 65 LYS NZ :NH3+ -132:sc= 0.989 (180deg=-0.0981) USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 MET CE :methyl 178:sc= -1.81 (180deg=-1.83) USER MOD Single : A 72 THR OG1 : rot 46:sc= 0.909 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 52:sc= -0.131 USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -26.760 6.428 -15.479 1.00 0.00 N ATOM 2 CA GLY A 1 -26.443 5.182 -16.151 1.00 0.00 C ATOM 3 C GLY A 1 -26.949 3.970 -15.394 1.00 0.00 C ATOM 4 O GLY A 1 -28.134 3.640 -15.457 1.00 0.00 O ATOM 0 H1 GLY A 1 -26.393 7.226 -16.036 1.00 0.00 H new ATOM 0 H2 GLY A 1 -27.792 6.518 -15.383 1.00 0.00 H new ATOM 0 H3 GLY A 1 -26.323 6.434 -14.535 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -26.879 5.191 -17.150 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -25.363 5.104 -16.275 1.00 0.00 H new ATOM 8 N SER A 2 -26.050 3.304 -14.678 1.00 0.00 N ATOM 9 CA SER A 2 -26.411 2.118 -13.910 1.00 0.00 C ATOM 10 C SER A 2 -27.793 2.276 -13.283 1.00 0.00 C ATOM 11 O SER A 2 -28.146 3.349 -12.795 1.00 0.00 O ATOM 12 CB SER A 2 -25.371 1.855 -12.819 1.00 0.00 C ATOM 13 OG SER A 2 -25.472 0.530 -12.326 1.00 0.00 O ATOM 0 H SER A 2 -25.066 3.565 -14.613 1.00 0.00 H new ATOM 0 HA SER A 2 -26.436 1.268 -14.592 1.00 0.00 H new ATOM 0 HB2 SER A 2 -24.371 2.022 -13.218 1.00 0.00 H new ATOM 0 HB3 SER A 2 -25.511 2.562 -12.001 1.00 0.00 H new ATOM 0 HG SER A 2 -24.796 0.387 -11.631 1.00 0.00 H new ATOM 19 N SER A 3 -28.571 1.198 -13.302 1.00 0.00 N ATOM 20 CA SER A 3 -29.916 1.217 -12.739 1.00 0.00 C ATOM 21 C SER A 3 -30.256 -0.126 -12.100 1.00 0.00 C ATOM 22 O SER A 3 -29.730 -1.165 -12.496 1.00 0.00 O ATOM 23 CB SER A 3 -30.941 1.552 -13.825 1.00 0.00 C ATOM 24 OG SER A 3 -32.264 1.373 -13.350 1.00 0.00 O ATOM 0 H SER A 3 -28.293 0.301 -13.701 1.00 0.00 H new ATOM 0 HA SER A 3 -29.950 1.986 -11.967 1.00 0.00 H new ATOM 0 HB2 SER A 3 -30.805 2.583 -14.152 1.00 0.00 H new ATOM 0 HB3 SER A 3 -30.775 0.917 -14.695 1.00 0.00 H new ATOM 0 HG SER A 3 -32.900 1.595 -14.062 1.00 0.00 H new ATOM 30 N GLY A 4 -31.141 -0.095 -11.108 1.00 0.00 N ATOM 31 CA GLY A 4 -31.537 -1.315 -10.429 1.00 0.00 C ATOM 32 C GLY A 4 -30.527 -1.752 -9.387 1.00 0.00 C ATOM 33 O GLY A 4 -29.822 -2.743 -9.573 1.00 0.00 O ATOM 0 H GLY A 4 -31.591 0.753 -10.763 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -32.505 -1.164 -9.951 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -31.665 -2.111 -11.163 1.00 0.00 H new ATOM 37 N SER A 5 -30.456 -1.010 -8.286 1.00 0.00 N ATOM 38 CA SER A 5 -29.521 -1.323 -7.212 1.00 0.00 C ATOM 39 C SER A 5 -29.921 -2.614 -6.503 1.00 0.00 C ATOM 40 O SER A 5 -30.992 -2.699 -5.903 1.00 0.00 O ATOM 41 CB SER A 5 -29.462 -0.172 -6.206 1.00 0.00 C ATOM 42 OG SER A 5 -28.327 -0.288 -5.365 1.00 0.00 O ATOM 0 H SER A 5 -31.035 -0.188 -8.115 1.00 0.00 H new ATOM 0 HA SER A 5 -28.533 -1.461 -7.652 1.00 0.00 H new ATOM 0 HB2 SER A 5 -29.429 0.779 -6.738 1.00 0.00 H new ATOM 0 HB3 SER A 5 -30.368 -0.167 -5.601 1.00 0.00 H new ATOM 0 HG SER A 5 -28.311 0.460 -4.732 1.00 0.00 H new ATOM 48 N SER A 6 -29.051 -3.616 -6.576 1.00 0.00 N ATOM 49 CA SER A 6 -29.314 -4.904 -5.945 1.00 0.00 C ATOM 50 C SER A 6 -28.174 -5.292 -5.008 1.00 0.00 C ATOM 51 O SER A 6 -27.169 -4.590 -4.910 1.00 0.00 O ATOM 52 CB SER A 6 -29.506 -5.987 -7.008 1.00 0.00 C ATOM 53 OG SER A 6 -30.848 -6.022 -7.463 1.00 0.00 O ATOM 0 H SER A 6 -28.158 -3.561 -7.066 1.00 0.00 H new ATOM 0 HA SER A 6 -30.229 -4.814 -5.359 1.00 0.00 H new ATOM 0 HB2 SER A 6 -28.838 -5.798 -7.849 1.00 0.00 H new ATOM 0 HB3 SER A 6 -29.233 -6.958 -6.596 1.00 0.00 H new ATOM 0 HG SER A 6 -30.945 -6.721 -8.143 1.00 0.00 H new ATOM 59 N GLY A 7 -28.340 -6.418 -4.319 1.00 0.00 N ATOM 60 CA GLY A 7 -27.318 -6.881 -3.399 1.00 0.00 C ATOM 61 C GLY A 7 -26.249 -7.707 -4.086 1.00 0.00 C ATOM 62 O GLY A 7 -26.440 -8.173 -5.210 1.00 0.00 O ATOM 0 H GLY A 7 -29.163 -7.017 -4.382 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -26.853 -6.022 -2.915 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -27.784 -7.476 -2.614 1.00 0.00 H new ATOM 66 N THR A 8 -25.119 -7.890 -3.411 1.00 0.00 N ATOM 67 CA THR A 8 -24.014 -8.662 -3.965 1.00 0.00 C ATOM 68 C THR A 8 -23.977 -10.068 -3.376 1.00 0.00 C ATOM 69 O THR A 8 -24.047 -10.244 -2.160 1.00 0.00 O ATOM 70 CB THR A 8 -22.661 -7.973 -3.706 1.00 0.00 C ATOM 71 OG1 THR A 8 -22.442 -7.838 -2.297 1.00 0.00 O ATOM 72 CG2 THR A 8 -22.616 -6.603 -4.365 1.00 0.00 C ATOM 0 H THR A 8 -24.945 -7.514 -2.479 1.00 0.00 H new ATOM 0 HA THR A 8 -24.180 -8.725 -5.040 1.00 0.00 H new ATOM 0 HB THR A 8 -21.875 -8.592 -4.138 1.00 0.00 H new ATOM 0 HG1 THR A 8 -23.006 -8.479 -1.815 1.00 0.00 H new ATOM 0 HG21 THR A 8 -21.651 -6.136 -4.168 1.00 0.00 H new ATOM 0 HG22 THR A 8 -22.754 -6.712 -5.441 1.00 0.00 H new ATOM 0 HG23 THR A 8 -23.411 -5.978 -3.959 1.00 0.00 H new ATOM 80 N SER A 9 -23.865 -11.066 -4.247 1.00 0.00 N ATOM 81 CA SER A 9 -23.822 -12.458 -3.813 1.00 0.00 C ATOM 82 C SER A 9 -22.427 -12.828 -3.316 1.00 0.00 C ATOM 83 O SER A 9 -22.259 -13.271 -2.180 1.00 0.00 O ATOM 84 CB SER A 9 -24.230 -13.385 -4.959 1.00 0.00 C ATOM 85 OG SER A 9 -24.594 -14.666 -4.474 1.00 0.00 O ATOM 0 H SER A 9 -23.802 -10.937 -5.257 1.00 0.00 H new ATOM 0 HA SER A 9 -24.527 -12.579 -2.990 1.00 0.00 H new ATOM 0 HB2 SER A 9 -25.067 -12.948 -5.504 1.00 0.00 H new ATOM 0 HB3 SER A 9 -23.405 -13.481 -5.665 1.00 0.00 H new ATOM 0 HG SER A 9 -24.852 -15.239 -5.226 1.00 0.00 H new ATOM 91 N ILE A 10 -21.432 -12.644 -4.176 1.00 0.00 N ATOM 92 CA ILE A 10 -20.052 -12.958 -3.826 1.00 0.00 C ATOM 93 C ILE A 10 -19.346 -11.744 -3.231 1.00 0.00 C ATOM 94 O ILE A 10 -19.193 -10.716 -3.890 1.00 0.00 O ATOM 95 CB ILE A 10 -19.258 -13.450 -5.050 1.00 0.00 C ATOM 96 CG1 ILE A 10 -17.850 -13.880 -4.633 1.00 0.00 C ATOM 97 CG2 ILE A 10 -19.193 -12.362 -6.111 1.00 0.00 C ATOM 98 CD1 ILE A 10 -17.823 -15.158 -3.824 1.00 0.00 C ATOM 0 H ILE A 10 -21.555 -12.279 -5.120 1.00 0.00 H new ATOM 0 HA ILE A 10 -20.089 -13.755 -3.083 1.00 0.00 H new ATOM 0 HB ILE A 10 -19.770 -14.314 -5.474 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -17.240 -14.012 -5.526 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -17.393 -13.081 -4.050 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -18.629 -12.725 -6.970 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -20.203 -12.099 -6.425 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -18.701 -11.481 -5.699 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -16.793 -15.402 -3.563 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -18.406 -15.024 -2.913 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -18.251 -15.970 -4.412 1.00 0.00 H new ATOM 110 N THR A 11 -18.916 -11.871 -1.979 1.00 0.00 N ATOM 111 CA THR A 11 -18.226 -10.785 -1.295 1.00 0.00 C ATOM 112 C THR A 11 -16.874 -10.501 -1.939 1.00 0.00 C ATOM 113 O THR A 11 -16.248 -11.376 -2.537 1.00 0.00 O ATOM 114 CB THR A 11 -18.014 -11.107 0.197 1.00 0.00 C ATOM 115 OG1 THR A 11 -17.296 -12.338 0.336 1.00 0.00 O ATOM 116 CG2 THR A 11 -19.346 -11.205 0.924 1.00 0.00 C ATOM 0 H THR A 11 -19.034 -12.715 -1.419 1.00 0.00 H new ATOM 0 HA THR A 11 -18.859 -9.902 -1.383 1.00 0.00 H new ATOM 0 HB THR A 11 -17.435 -10.298 0.642 1.00 0.00 H new ATOM 0 HG1 THR A 11 -17.164 -12.534 1.287 1.00 0.00 H new ATOM 0 HG21 THR A 11 -19.171 -11.433 1.975 1.00 0.00 H new ATOM 0 HG22 THR A 11 -19.876 -10.256 0.842 1.00 0.00 H new ATOM 0 HG23 THR A 11 -19.947 -11.996 0.477 1.00 0.00 H new ATOM 124 N PRO A 12 -16.410 -9.249 -1.814 1.00 0.00 N ATOM 125 CA PRO A 12 -15.126 -8.821 -2.377 1.00 0.00 C ATOM 126 C PRO A 12 -13.938 -9.438 -1.647 1.00 0.00 C ATOM 127 O PRO A 12 -12.787 -9.086 -1.905 1.00 0.00 O ATOM 128 CB PRO A 12 -15.142 -7.302 -2.184 1.00 0.00 C ATOM 129 CG PRO A 12 -16.057 -7.077 -1.030 1.00 0.00 C ATOM 130 CD PRO A 12 -17.103 -8.154 -1.114 1.00 0.00 C ATOM 0 HA PRO A 12 -15.013 -9.131 -3.416 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -14.143 -6.919 -1.978 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -15.500 -6.793 -3.079 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -15.515 -7.132 -0.086 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -16.511 -6.087 -1.079 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -17.444 -8.461 -0.125 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -17.982 -7.818 -1.664 1.00 0.00 H new ATOM 138 N SER A 13 -14.225 -10.360 -0.733 1.00 0.00 N ATOM 139 CA SER A 13 -13.180 -11.024 0.037 1.00 0.00 C ATOM 140 C SER A 13 -12.043 -11.482 -0.871 1.00 0.00 C ATOM 141 O SER A 13 -10.880 -11.147 -0.646 1.00 0.00 O ATOM 142 CB SER A 13 -13.758 -12.221 0.794 1.00 0.00 C ATOM 143 OG SER A 13 -14.442 -13.098 -0.084 1.00 0.00 O ATOM 0 H SER A 13 -15.172 -10.664 -0.508 1.00 0.00 H new ATOM 0 HA SER A 13 -12.781 -10.307 0.755 1.00 0.00 H new ATOM 0 HB2 SER A 13 -12.955 -12.759 1.298 1.00 0.00 H new ATOM 0 HB3 SER A 13 -14.441 -11.871 1.568 1.00 0.00 H new ATOM 0 HG SER A 13 -15.406 -12.933 -0.025 1.00 0.00 H new ATOM 149 N SER A 14 -12.388 -12.250 -1.899 1.00 0.00 N ATOM 150 CA SER A 14 -11.397 -12.759 -2.840 1.00 0.00 C ATOM 151 C SER A 14 -11.074 -11.715 -3.905 1.00 0.00 C ATOM 152 O SER A 14 -9.913 -11.519 -4.264 1.00 0.00 O ATOM 153 CB SER A 14 -11.904 -14.041 -3.504 1.00 0.00 C ATOM 154 OG SER A 14 -12.994 -13.771 -4.369 1.00 0.00 O ATOM 0 H SER A 14 -13.347 -12.534 -2.102 1.00 0.00 H new ATOM 0 HA SER A 14 -10.486 -12.982 -2.285 1.00 0.00 H new ATOM 0 HB2 SER A 14 -11.095 -14.507 -4.067 1.00 0.00 H new ATOM 0 HB3 SER A 14 -12.211 -14.754 -2.739 1.00 0.00 H new ATOM 0 HG SER A 14 -13.298 -14.606 -4.782 1.00 0.00 H new ATOM 160 N GLN A 15 -12.109 -11.048 -4.405 1.00 0.00 N ATOM 161 CA GLN A 15 -11.936 -10.025 -5.429 1.00 0.00 C ATOM 162 C GLN A 15 -10.865 -9.020 -5.018 1.00 0.00 C ATOM 163 O GLN A 15 -11.039 -8.270 -4.057 1.00 0.00 O ATOM 164 CB GLN A 15 -13.259 -9.302 -5.687 1.00 0.00 C ATOM 165 CG GLN A 15 -14.365 -10.217 -6.187 1.00 0.00 C ATOM 166 CD GLN A 15 -13.953 -11.018 -7.406 1.00 0.00 C ATOM 167 OE1 GLN A 15 -13.082 -11.885 -7.328 1.00 0.00 O ATOM 168 NE2 GLN A 15 -14.579 -10.732 -8.542 1.00 0.00 N ATOM 0 H GLN A 15 -13.076 -11.198 -4.118 1.00 0.00 H new ATOM 0 HA GLN A 15 -11.614 -10.516 -6.347 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -13.586 -8.821 -4.765 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -13.095 -8.511 -6.419 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -14.655 -10.900 -5.389 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -15.244 -9.620 -6.430 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -15.295 -10.006 -8.561 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -14.344 -11.239 -9.395 1.00 0.00 H new ATOM 177 N ASP A 16 -9.757 -9.010 -5.751 1.00 0.00 N ATOM 178 CA ASP A 16 -8.658 -8.097 -5.464 1.00 0.00 C ATOM 179 C ASP A 16 -9.019 -6.669 -5.863 1.00 0.00 C ATOM 180 O ASP A 16 -9.186 -6.368 -7.045 1.00 0.00 O ATOM 181 CB ASP A 16 -7.392 -8.540 -6.199 1.00 0.00 C ATOM 182 CG ASP A 16 -6.575 -9.535 -5.398 1.00 0.00 C ATOM 183 OD1 ASP A 16 -6.717 -9.556 -4.157 1.00 0.00 O ATOM 184 OD2 ASP A 16 -5.795 -10.292 -6.012 1.00 0.00 O ATOM 0 H ASP A 16 -9.597 -9.625 -6.549 1.00 0.00 H new ATOM 0 HA ASP A 16 -8.472 -8.119 -4.390 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -7.668 -8.986 -7.154 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -6.779 -7.666 -6.420 1.00 0.00 H new ATOM 189 N ILE A 17 -9.138 -5.795 -4.869 1.00 0.00 N ATOM 190 CA ILE A 17 -9.479 -4.400 -5.117 1.00 0.00 C ATOM 191 C ILE A 17 -8.654 -3.467 -4.236 1.00 0.00 C ATOM 192 O ILE A 17 -8.106 -3.884 -3.215 1.00 0.00 O ATOM 193 CB ILE A 17 -10.975 -4.133 -4.867 1.00 0.00 C ATOM 194 CG1 ILE A 17 -11.411 -4.753 -3.537 1.00 0.00 C ATOM 195 CG2 ILE A 17 -11.810 -4.685 -6.013 1.00 0.00 C ATOM 196 CD1 ILE A 17 -11.409 -3.772 -2.385 1.00 0.00 C ATOM 0 H ILE A 17 -9.003 -6.028 -3.885 1.00 0.00 H new ATOM 0 HA ILE A 17 -9.253 -4.202 -6.165 1.00 0.00 H new ATOM 0 HB ILE A 17 -11.133 -3.056 -4.814 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -12.413 -5.167 -3.649 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -10.747 -5.584 -3.298 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -12.865 -4.489 -5.822 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -11.514 -4.202 -6.944 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -11.650 -5.760 -6.095 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -11.728 -4.279 -1.475 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -10.403 -3.376 -2.246 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -12.094 -2.953 -2.603 1.00 0.00 H new ATOM 208 N CYS A 18 -8.572 -2.203 -4.637 1.00 0.00 N ATOM 209 CA CYS A 18 -7.816 -1.210 -3.884 1.00 0.00 C ATOM 210 C CYS A 18 -7.919 -1.469 -2.384 1.00 0.00 C ATOM 211 O CYS A 18 -8.899 -2.042 -1.908 1.00 0.00 O ATOM 212 CB CYS A 18 -8.322 0.198 -4.205 1.00 0.00 C ATOM 213 SG CYS A 18 -7.195 1.530 -3.683 1.00 0.00 S ATOM 0 H CYS A 18 -9.020 -1.842 -5.479 1.00 0.00 H new ATOM 0 HA CYS A 18 -6.769 -1.289 -4.177 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -8.487 0.277 -5.279 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -9.288 0.344 -3.722 1.00 0.00 H new ATOM 218 N ARG A 19 -6.900 -1.044 -1.644 1.00 0.00 N ATOM 219 CA ARG A 19 -6.875 -1.231 -0.198 1.00 0.00 C ATOM 220 C ARG A 19 -7.095 0.094 0.525 1.00 0.00 C ATOM 221 O ARG A 19 -7.484 0.117 1.693 1.00 0.00 O ATOM 222 CB ARG A 19 -5.542 -1.846 0.235 1.00 0.00 C ATOM 223 CG ARG A 19 -4.417 -0.832 0.364 1.00 0.00 C ATOM 224 CD ARG A 19 -3.364 -1.292 1.358 1.00 0.00 C ATOM 225 NE ARG A 19 -3.654 -0.835 2.715 1.00 0.00 N ATOM 226 CZ ARG A 19 -2.769 -0.863 3.705 1.00 0.00 C ATOM 227 NH1 ARG A 19 -1.544 -1.323 3.491 1.00 0.00 N ATOM 228 NH2 ARG A 19 -3.109 -0.429 4.912 1.00 0.00 N ATOM 0 H ARG A 19 -6.081 -0.568 -2.022 1.00 0.00 H new ATOM 0 HA ARG A 19 -7.685 -1.910 0.070 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -5.678 -2.349 1.192 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -5.251 -2.608 -0.488 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -3.955 -0.674 -0.610 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -4.825 0.127 0.682 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -3.306 -2.380 1.347 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -2.388 -0.918 1.051 1.00 0.00 H new ATOM 0 HE ARG A 19 -4.587 -0.475 2.913 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -1.279 -1.657 2.564 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -0.866 -1.343 4.253 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -4.050 -0.074 5.080 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -2.429 -0.451 5.672 1.00 0.00 H new ATOM 242 N ILE A 20 -6.844 1.194 -0.176 1.00 0.00 N ATOM 243 CA ILE A 20 -7.015 2.522 0.399 1.00 0.00 C ATOM 244 C ILE A 20 -8.455 3.002 0.254 1.00 0.00 C ATOM 245 O ILE A 20 -9.064 3.473 1.215 1.00 0.00 O ATOM 246 CB ILE A 20 -6.075 3.548 -0.261 1.00 0.00 C ATOM 247 CG1 ILE A 20 -4.615 3.132 -0.067 1.00 0.00 C ATOM 248 CG2 ILE A 20 -6.317 4.935 0.314 1.00 0.00 C ATOM 249 CD1 ILE A 20 -3.661 3.809 -1.027 1.00 0.00 C ATOM 0 H ILE A 20 -6.521 1.192 -1.144 1.00 0.00 H new ATOM 0 HA ILE A 20 -6.765 2.442 1.457 1.00 0.00 H new ATOM 0 HB ILE A 20 -6.286 3.578 -1.330 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -4.313 3.361 0.955 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -4.534 2.052 -0.188 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -5.645 5.649 -0.163 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -7.350 5.230 0.130 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -6.130 4.922 1.388 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -2.645 3.467 -0.832 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -3.937 3.559 -2.051 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -3.713 4.889 -0.890 1.00 0.00 H new ATOM 261 N CYS A 21 -8.995 2.879 -0.954 1.00 0.00 N ATOM 262 CA CYS A 21 -10.364 3.299 -1.227 1.00 0.00 C ATOM 263 C CYS A 21 -11.309 2.101 -1.237 1.00 0.00 C ATOM 264 O CYS A 21 -12.484 2.219 -0.889 1.00 0.00 O ATOM 265 CB CYS A 21 -10.438 4.032 -2.568 1.00 0.00 C ATOM 266 SG CYS A 21 -10.271 2.945 -4.020 1.00 0.00 S ATOM 0 H CYS A 21 -8.505 2.491 -1.760 1.00 0.00 H new ATOM 0 HA CYS A 21 -10.674 3.978 -0.432 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -11.390 4.559 -2.630 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -9.653 4.787 -2.601 1.00 0.00 H new ATOM 271 N HIS A 22 -10.786 0.946 -1.640 1.00 0.00 N ATOM 272 CA HIS A 22 -11.582 -0.275 -1.695 1.00 0.00 C ATOM 273 C HIS A 22 -12.565 -0.230 -2.862 1.00 0.00 C ATOM 274 O HIS A 22 -13.747 -0.538 -2.702 1.00 0.00 O ATOM 275 CB HIS A 22 -12.340 -0.475 -0.382 1.00 0.00 C ATOM 276 CG HIS A 22 -11.557 -0.069 0.828 1.00 0.00 C ATOM 277 ND1 HIS A 22 -11.709 1.154 1.447 1.00 0.00 N ATOM 278 CD2 HIS A 22 -10.613 -0.732 1.536 1.00 0.00 C ATOM 279 CE1 HIS A 22 -10.891 1.226 2.482 1.00 0.00 C ATOM 280 NE2 HIS A 22 -10.215 0.094 2.558 1.00 0.00 N ATOM 0 H HIS A 22 -9.816 0.831 -1.933 1.00 0.00 H new ATOM 0 HA HIS A 22 -10.904 -1.115 -1.845 1.00 0.00 H new ATOM 0 HB2 HIS A 22 -13.266 0.099 -0.415 1.00 0.00 H new ATOM 0 HB3 HIS A 22 -12.619 -1.525 -0.289 1.00 0.00 H new ATOM 0 HD1 HIS A 22 -12.352 1.888 1.152 1.00 0.00 H new ATOM 0 HD2 HIS A 22 -10.242 -1.726 1.334 1.00 0.00 H new ATOM 0 HE1 HIS A 22 -10.792 2.067 3.152 1.00 0.00 H new ATOM 288 N CYS A 23 -12.069 0.156 -4.032 1.00 0.00 N ATOM 289 CA CYS A 23 -12.904 0.242 -5.225 1.00 0.00 C ATOM 290 C CYS A 23 -12.271 -0.515 -6.388 1.00 0.00 C ATOM 291 O CYS A 23 -11.069 -0.776 -6.389 1.00 0.00 O ATOM 292 CB CYS A 23 -13.126 1.705 -5.613 1.00 0.00 C ATOM 293 SG CYS A 23 -14.166 2.627 -4.456 1.00 0.00 S ATOM 0 H CYS A 23 -11.093 0.414 -4.180 1.00 0.00 H new ATOM 0 HA CYS A 23 -13.867 -0.216 -4.998 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -12.158 2.200 -5.689 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -13.581 1.742 -6.603 1.00 0.00 H new ATOM 0 HG CYS A 23 -14.293 3.853 -4.869 1.00 0.00 H new ATOM 299 N GLU A 24 -13.090 -0.866 -7.374 1.00 0.00 N ATOM 300 CA GLU A 24 -12.610 -1.596 -8.542 1.00 0.00 C ATOM 301 C GLU A 24 -11.441 -0.865 -9.197 1.00 0.00 C ATOM 302 O GLU A 24 -11.347 0.360 -9.135 1.00 0.00 O ATOM 303 CB GLU A 24 -13.741 -1.783 -9.555 1.00 0.00 C ATOM 304 CG GLU A 24 -14.579 -3.026 -9.308 1.00 0.00 C ATOM 305 CD GLU A 24 -15.545 -2.859 -8.150 1.00 0.00 C ATOM 306 OE1 GLU A 24 -16.475 -2.034 -8.269 1.00 0.00 O ATOM 307 OE2 GLU A 24 -15.370 -3.552 -7.126 1.00 0.00 O ATOM 0 H GLU A 24 -14.088 -0.657 -7.388 1.00 0.00 H new ATOM 0 HA GLU A 24 -12.264 -2.575 -8.210 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -14.389 -0.907 -9.529 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -13.315 -1.835 -10.557 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -15.139 -3.267 -10.211 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -13.919 -3.870 -9.107 1.00 0.00 H new ATOM 314 N GLY A 25 -10.552 -1.628 -9.825 1.00 0.00 N ATOM 315 CA GLY A 25 -9.401 -1.037 -10.482 1.00 0.00 C ATOM 316 C GLY A 25 -9.776 -0.281 -11.741 1.00 0.00 C ATOM 317 O GLY A 25 -10.408 -0.835 -12.641 1.00 0.00 O ATOM 0 H GLY A 25 -10.608 -2.644 -9.891 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -8.900 -0.359 -9.791 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -8.687 -1.822 -10.732 1.00 0.00 H new ATOM 321 N ASP A 26 -9.389 0.988 -11.805 1.00 0.00 N ATOM 322 CA ASP A 26 -9.690 1.822 -12.963 1.00 0.00 C ATOM 323 C ASP A 26 -8.646 1.629 -14.058 1.00 0.00 C ATOM 324 O ASP A 26 -7.544 1.144 -13.800 1.00 0.00 O ATOM 325 CB ASP A 26 -9.753 3.295 -12.555 1.00 0.00 C ATOM 326 CG ASP A 26 -10.865 3.573 -11.562 1.00 0.00 C ATOM 327 OD1 ASP A 26 -11.293 2.626 -10.871 1.00 0.00 O ATOM 328 OD2 ASP A 26 -11.306 4.739 -11.476 1.00 0.00 O ATOM 0 H ASP A 26 -8.866 1.462 -11.069 1.00 0.00 H new ATOM 0 HA ASP A 26 -10.661 1.520 -13.355 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -8.798 3.590 -12.119 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -9.901 3.909 -13.443 1.00 0.00 H new ATOM 333 N ASP A 27 -9.000 2.010 -15.280 1.00 0.00 N ATOM 334 CA ASP A 27 -8.093 1.879 -16.415 1.00 0.00 C ATOM 335 C ASP A 27 -6.798 2.646 -16.167 1.00 0.00 C ATOM 336 O ASP A 27 -5.708 2.142 -16.433 1.00 0.00 O ATOM 337 CB ASP A 27 -8.764 2.386 -17.692 1.00 0.00 C ATOM 338 CG ASP A 27 -9.826 1.434 -18.206 1.00 0.00 C ATOM 339 OD1 ASP A 27 -9.655 0.208 -18.037 1.00 0.00 O ATOM 340 OD2 ASP A 27 -10.828 1.914 -18.776 1.00 0.00 O ATOM 0 H ASP A 27 -9.909 2.412 -15.511 1.00 0.00 H new ATOM 0 HA ASP A 27 -7.851 0.823 -16.536 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -9.215 3.359 -17.500 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -8.007 2.532 -18.463 1.00 0.00 H new ATOM 345 N GLU A 28 -6.927 3.867 -15.656 1.00 0.00 N ATOM 346 CA GLU A 28 -5.766 4.703 -15.374 1.00 0.00 C ATOM 347 C GLU A 28 -5.266 4.477 -13.951 1.00 0.00 C ATOM 348 O GLU A 28 -4.087 4.674 -13.657 1.00 0.00 O ATOM 349 CB GLU A 28 -6.112 6.179 -15.577 1.00 0.00 C ATOM 350 CG GLU A 28 -5.927 6.657 -17.008 1.00 0.00 C ATOM 351 CD GLU A 28 -6.363 8.096 -17.204 1.00 0.00 C ATOM 352 OE1 GLU A 28 -7.303 8.531 -16.506 1.00 0.00 O ATOM 353 OE2 GLU A 28 -5.765 8.787 -18.054 1.00 0.00 O ATOM 0 H GLU A 28 -7.823 4.298 -15.429 1.00 0.00 H new ATOM 0 HA GLU A 28 -4.972 4.425 -16.067 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -7.147 6.345 -15.278 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -5.489 6.783 -14.918 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -4.878 6.558 -17.287 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -6.497 6.014 -17.678 1.00 0.00 H new ATOM 360 N SER A 29 -6.172 4.064 -13.070 1.00 0.00 N ATOM 361 CA SER A 29 -5.824 3.816 -11.675 1.00 0.00 C ATOM 362 C SER A 29 -6.109 2.366 -11.294 1.00 0.00 C ATOM 363 O SER A 29 -6.802 2.079 -10.318 1.00 0.00 O ATOM 364 CB SER A 29 -6.604 4.759 -10.758 1.00 0.00 C ATOM 365 OG SER A 29 -5.963 6.019 -10.658 1.00 0.00 O ATOM 0 H SER A 29 -7.152 3.894 -13.297 1.00 0.00 H new ATOM 0 HA SER A 29 -4.757 4.003 -11.553 1.00 0.00 H new ATOM 0 HB2 SER A 29 -7.615 4.891 -11.143 1.00 0.00 H new ATOM 0 HB3 SER A 29 -6.696 4.314 -9.767 1.00 0.00 H new ATOM 0 HG SER A 29 -6.482 6.604 -10.068 1.00 0.00 H new ATOM 371 N PRO A 30 -5.562 1.430 -12.083 1.00 0.00 N ATOM 372 CA PRO A 30 -5.742 -0.006 -11.849 1.00 0.00 C ATOM 373 C PRO A 30 -5.007 -0.487 -10.602 1.00 0.00 C ATOM 374 O PRO A 30 -4.240 0.260 -9.995 1.00 0.00 O ATOM 375 CB PRO A 30 -5.144 -0.648 -13.103 1.00 0.00 C ATOM 376 CG PRO A 30 -4.158 0.350 -13.606 1.00 0.00 C ATOM 377 CD PRO A 30 -4.725 1.700 -13.264 1.00 0.00 C ATOM 0 HA PRO A 30 -6.788 -0.263 -11.679 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -4.662 -1.598 -12.870 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -5.913 -0.855 -13.847 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -3.184 0.206 -13.139 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -4.014 0.248 -14.682 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -3.939 2.422 -13.043 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -5.311 2.110 -14.087 1.00 0.00 H new ATOM 385 N LEU A 31 -5.247 -1.738 -10.226 1.00 0.00 N ATOM 386 CA LEU A 31 -4.607 -2.319 -9.051 1.00 0.00 C ATOM 387 C LEU A 31 -3.196 -2.797 -9.379 1.00 0.00 C ATOM 388 O LEU A 31 -3.011 -3.878 -9.939 1.00 0.00 O ATOM 389 CB LEU A 31 -5.441 -3.485 -8.516 1.00 0.00 C ATOM 390 CG LEU A 31 -6.936 -3.217 -8.341 1.00 0.00 C ATOM 391 CD1 LEU A 31 -7.678 -4.509 -8.038 1.00 0.00 C ATOM 392 CD2 LEU A 31 -7.169 -2.194 -7.239 1.00 0.00 C ATOM 0 H LEU A 31 -5.880 -2.369 -10.717 1.00 0.00 H new ATOM 0 HA LEU A 31 -4.540 -1.546 -8.285 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -5.321 -4.332 -9.192 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -5.031 -3.786 -7.552 1.00 0.00 H new ATOM 0 HG LEU A 31 -7.324 -2.810 -9.275 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -8.741 -4.298 -7.917 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -7.539 -5.210 -8.861 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -7.287 -4.946 -7.119 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -8.239 -2.016 -7.128 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -6.765 -2.572 -6.300 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -6.670 -1.260 -7.498 1.00 0.00 H new ATOM 404 N ILE A 32 -2.205 -1.985 -9.026 1.00 0.00 N ATOM 405 CA ILE A 32 -0.811 -2.326 -9.280 1.00 0.00 C ATOM 406 C ILE A 32 -0.046 -2.519 -7.975 1.00 0.00 C ATOM 407 O ILE A 32 -0.399 -1.946 -6.944 1.00 0.00 O ATOM 408 CB ILE A 32 -0.110 -1.240 -10.117 1.00 0.00 C ATOM 409 CG1 ILE A 32 -0.266 0.129 -9.452 1.00 0.00 C ATOM 410 CG2 ILE A 32 -0.672 -1.216 -11.531 1.00 0.00 C ATOM 411 CD1 ILE A 32 0.811 1.117 -9.841 1.00 0.00 C ATOM 0 H ILE A 32 -2.342 -1.086 -8.563 1.00 0.00 H new ATOM 0 HA ILE A 32 -0.811 -3.261 -9.840 1.00 0.00 H new ATOM 0 HB ILE A 32 0.953 -1.476 -10.173 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -1.239 0.543 -9.715 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -0.256 0.001 -8.370 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -0.167 -0.443 -12.110 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -0.512 -2.186 -12.002 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -1.740 -1.002 -11.494 1.00 0.00 H new ATOM 0 HD11 ILE A 32 0.636 2.065 -9.332 1.00 0.00 H new ATOM 0 HD12 ILE A 32 1.786 0.725 -9.553 1.00 0.00 H new ATOM 0 HD13 ILE A 32 0.788 1.275 -10.919 1.00 0.00 H new ATOM 423 N THR A 33 1.006 -3.330 -8.028 1.00 0.00 N ATOM 424 CA THR A 33 1.823 -3.599 -6.851 1.00 0.00 C ATOM 425 C THR A 33 2.861 -2.503 -6.640 1.00 0.00 C ATOM 426 O THR A 33 3.769 -2.311 -7.448 1.00 0.00 O ATOM 427 CB THR A 33 2.542 -4.957 -6.965 1.00 0.00 C ATOM 428 OG1 THR A 33 3.253 -5.032 -8.205 1.00 0.00 O ATOM 429 CG2 THR A 33 1.549 -6.105 -6.873 1.00 0.00 C ATOM 0 H THR A 33 1.312 -3.812 -8.873 1.00 0.00 H new ATOM 0 HA THR A 33 1.147 -3.625 -5.996 1.00 0.00 H new ATOM 0 HB THR A 33 3.246 -5.041 -6.137 1.00 0.00 H new ATOM 0 HG1 THR A 33 3.698 -4.176 -8.379 1.00 0.00 H new ATOM 0 HG21 THR A 33 2.080 -7.053 -6.956 1.00 0.00 H new ATOM 0 HG22 THR A 33 1.031 -6.062 -5.915 1.00 0.00 H new ATOM 0 HG23 THR A 33 0.823 -6.024 -7.682 1.00 0.00 H new ATOM 437 N PRO A 34 2.727 -1.766 -5.527 1.00 0.00 N ATOM 438 CA PRO A 34 3.645 -0.677 -5.183 1.00 0.00 C ATOM 439 C PRO A 34 5.030 -1.187 -4.796 1.00 0.00 C ATOM 440 O PRO A 34 5.990 -0.419 -4.733 1.00 0.00 O ATOM 441 CB PRO A 34 2.968 -0.007 -3.985 1.00 0.00 C ATOM 442 CG PRO A 34 2.128 -1.076 -3.377 1.00 0.00 C ATOM 443 CD PRO A 34 1.668 -1.940 -4.519 1.00 0.00 C ATOM 0 HA PRO A 34 3.814 -0.005 -6.025 1.00 0.00 H new ATOM 0 HB2 PRO A 34 3.704 0.370 -3.275 1.00 0.00 H new ATOM 0 HB3 PRO A 34 2.362 0.843 -4.298 1.00 0.00 H new ATOM 0 HG2 PRO A 34 2.699 -1.657 -2.653 1.00 0.00 H new ATOM 0 HG3 PRO A 34 1.279 -0.649 -2.844 1.00 0.00 H new ATOM 0 HD2 PRO A 34 1.567 -2.983 -4.218 1.00 0.00 H new ATOM 0 HD3 PRO A 34 0.697 -1.622 -4.898 1.00 0.00 H new ATOM 451 N CYS A 35 5.126 -2.487 -4.538 1.00 0.00 N ATOM 452 CA CYS A 35 6.392 -3.100 -4.157 1.00 0.00 C ATOM 453 C CYS A 35 6.335 -4.616 -4.324 1.00 0.00 C ATOM 454 O CYS A 35 5.342 -5.161 -4.807 1.00 0.00 O ATOM 455 CB CYS A 35 6.738 -2.748 -2.709 1.00 0.00 C ATOM 456 SG CYS A 35 5.550 -3.388 -1.485 1.00 0.00 S ATOM 0 H CYS A 35 4.341 -3.137 -4.586 1.00 0.00 H new ATOM 0 HA CYS A 35 7.168 -2.709 -4.814 1.00 0.00 H new ATOM 0 HB2 CYS A 35 7.728 -3.140 -2.478 1.00 0.00 H new ATOM 0 HB3 CYS A 35 6.794 -1.664 -2.613 1.00 0.00 H new ATOM 461 N HIS A 36 7.407 -5.291 -3.922 1.00 0.00 N ATOM 462 CA HIS A 36 7.479 -6.744 -4.026 1.00 0.00 C ATOM 463 C HIS A 36 6.239 -7.394 -3.420 1.00 0.00 C ATOM 464 O HIS A 36 5.612 -8.256 -4.037 1.00 0.00 O ATOM 465 CB HIS A 36 8.735 -7.265 -3.327 1.00 0.00 C ATOM 466 CG HIS A 36 10.009 -6.745 -3.919 1.00 0.00 C ATOM 467 ND1 HIS A 36 10.729 -7.429 -4.875 1.00 0.00 N ATOM 468 CD2 HIS A 36 10.690 -5.599 -3.686 1.00 0.00 C ATOM 469 CE1 HIS A 36 11.799 -6.727 -5.204 1.00 0.00 C ATOM 470 NE2 HIS A 36 11.799 -5.612 -4.496 1.00 0.00 N ATOM 0 H HIS A 36 8.238 -4.855 -3.521 1.00 0.00 H new ATOM 0 HA HIS A 36 7.525 -7.006 -5.083 1.00 0.00 H new ATOM 0 HB2 HIS A 36 8.695 -6.990 -2.273 1.00 0.00 H new ATOM 0 HB3 HIS A 36 8.741 -8.354 -3.372 1.00 0.00 H new ATOM 0 HD2 HIS A 36 10.413 -4.819 -2.992 1.00 0.00 H new ATOM 0 HE1 HIS A 36 12.546 -7.016 -5.928 1.00 0.00 H new ATOM 0 HE2 HIS A 36 12.507 -4.880 -4.543 1.00 0.00 H new ATOM 478 N CYS A 37 5.890 -6.975 -2.208 1.00 0.00 N ATOM 479 CA CYS A 37 4.726 -7.517 -1.517 1.00 0.00 C ATOM 480 C CYS A 37 3.529 -7.610 -2.459 1.00 0.00 C ATOM 481 O CYS A 37 3.031 -6.597 -2.952 1.00 0.00 O ATOM 482 CB CYS A 37 4.372 -6.646 -0.310 1.00 0.00 C ATOM 483 SG CYS A 37 5.728 -6.453 0.891 1.00 0.00 S ATOM 0 H CYS A 37 6.397 -6.262 -1.684 1.00 0.00 H new ATOM 0 HA CYS A 37 4.974 -8.521 -1.172 1.00 0.00 H new ATOM 0 HB2 CYS A 37 4.071 -5.660 -0.663 1.00 0.00 H new ATOM 0 HB3 CYS A 37 3.510 -7.080 0.198 1.00 0.00 H new ATOM 488 N THR A 38 3.071 -8.834 -2.706 1.00 0.00 N ATOM 489 CA THR A 38 1.934 -9.061 -3.589 1.00 0.00 C ATOM 490 C THR A 38 0.831 -9.837 -2.877 1.00 0.00 C ATOM 491 O THR A 38 -0.352 -9.653 -3.159 1.00 0.00 O ATOM 492 CB THR A 38 2.351 -9.830 -4.856 1.00 0.00 C ATOM 493 OG1 THR A 38 2.999 -11.055 -4.495 1.00 0.00 O ATOM 494 CG2 THR A 38 3.285 -8.990 -5.715 1.00 0.00 C ATOM 0 H THR A 38 3.471 -9.683 -2.306 1.00 0.00 H new ATOM 0 HA THR A 38 1.557 -8.080 -3.877 1.00 0.00 H new ATOM 0 HB THR A 38 1.453 -10.051 -5.432 1.00 0.00 H new ATOM 0 HG1 THR A 38 3.259 -11.539 -5.306 1.00 0.00 H new ATOM 0 HG21 THR A 38 3.567 -9.554 -6.605 1.00 0.00 H new ATOM 0 HG22 THR A 38 2.779 -8.072 -6.012 1.00 0.00 H new ATOM 0 HG23 THR A 38 4.180 -8.742 -5.144 1.00 0.00 H new ATOM 502 N GLY A 39 1.228 -10.706 -1.952 1.00 0.00 N ATOM 503 CA GLY A 39 0.261 -11.497 -1.214 1.00 0.00 C ATOM 504 C GLY A 39 -0.486 -10.681 -0.178 1.00 0.00 C ATOM 505 O GLY A 39 -0.433 -10.981 1.015 1.00 0.00 O ATOM 0 H GLY A 39 2.202 -10.876 -1.701 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -0.453 -11.935 -1.911 1.00 0.00 H new ATOM 0 HA3 GLY A 39 0.773 -12.323 -0.721 1.00 0.00 H new ATOM 509 N SER A 40 -1.182 -9.644 -0.632 1.00 0.00 N ATOM 510 CA SER A 40 -1.938 -8.778 0.265 1.00 0.00 C ATOM 511 C SER A 40 -2.720 -7.730 -0.522 1.00 0.00 C ATOM 512 O SER A 40 -2.597 -7.635 -1.744 1.00 0.00 O ATOM 513 CB SER A 40 -0.998 -8.091 1.257 1.00 0.00 C ATOM 514 OG SER A 40 -1.658 -7.820 2.481 1.00 0.00 O ATOM 0 H SER A 40 -1.238 -9.383 -1.616 1.00 0.00 H new ATOM 0 HA SER A 40 -2.647 -9.397 0.816 1.00 0.00 H new ATOM 0 HB2 SER A 40 -0.131 -8.726 1.440 1.00 0.00 H new ATOM 0 HB3 SER A 40 -0.627 -7.161 0.827 1.00 0.00 H new ATOM 0 HG SER A 40 -1.035 -7.382 3.098 1.00 0.00 H new ATOM 520 N LEU A 41 -3.524 -6.946 0.187 1.00 0.00 N ATOM 521 CA LEU A 41 -4.327 -5.904 -0.443 1.00 0.00 C ATOM 522 C LEU A 41 -3.438 -4.817 -1.040 1.00 0.00 C ATOM 523 O LEU A 41 -3.925 -3.879 -1.671 1.00 0.00 O ATOM 524 CB LEU A 41 -5.290 -5.289 0.574 1.00 0.00 C ATOM 525 CG LEU A 41 -6.397 -6.209 1.090 1.00 0.00 C ATOM 526 CD1 LEU A 41 -7.222 -6.753 -0.067 1.00 0.00 C ATOM 527 CD2 LEU A 41 -5.807 -7.348 1.908 1.00 0.00 C ATOM 0 H LEU A 41 -3.637 -7.012 1.199 1.00 0.00 H new ATOM 0 HA LEU A 41 -4.902 -6.361 -1.249 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -4.710 -4.937 1.427 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -5.754 -4.413 0.121 1.00 0.00 H new ATOM 0 HG LEU A 41 -7.054 -5.627 1.736 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -8.005 -7.406 0.320 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -7.676 -5.925 -0.611 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -6.577 -7.319 -0.739 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -6.610 -7.992 2.267 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -5.127 -7.929 1.285 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -5.261 -6.940 2.759 1.00 0.00 H new ATOM 539 N HIS A 42 -2.131 -4.951 -0.837 1.00 0.00 N ATOM 540 CA HIS A 42 -1.173 -3.982 -1.357 1.00 0.00 C ATOM 541 C HIS A 42 -1.669 -3.377 -2.667 1.00 0.00 C ATOM 542 O HIS A 42 -1.458 -2.194 -2.935 1.00 0.00 O ATOM 543 CB HIS A 42 0.189 -4.644 -1.571 1.00 0.00 C ATOM 544 CG HIS A 42 1.112 -4.506 -0.400 1.00 0.00 C ATOM 545 ND1 HIS A 42 0.740 -4.812 0.892 1.00 0.00 N ATOM 546 CD2 HIS A 42 2.400 -4.095 -0.331 1.00 0.00 C ATOM 547 CE1 HIS A 42 1.758 -4.592 1.705 1.00 0.00 C ATOM 548 NE2 HIS A 42 2.778 -4.157 0.987 1.00 0.00 N ATOM 0 H HIS A 42 -1.711 -5.721 -0.316 1.00 0.00 H new ATOM 0 HA HIS A 42 -1.069 -3.182 -0.624 1.00 0.00 H new ATOM 0 HB2 HIS A 42 0.040 -5.703 -1.783 1.00 0.00 H new ATOM 0 HB3 HIS A 42 0.662 -4.207 -2.450 1.00 0.00 H new ATOM 0 HD2 HIS A 42 3.016 -3.777 -1.159 1.00 0.00 H new ATOM 0 HE1 HIS A 42 1.756 -4.742 2.774 1.00 0.00 H new ATOM 0 HE2 HIS A 42 3.697 -3.908 1.353 1.00 0.00 H new ATOM 556 N PHE A 43 -2.328 -4.196 -3.479 1.00 0.00 N ATOM 557 CA PHE A 43 -2.852 -3.742 -4.762 1.00 0.00 C ATOM 558 C PHE A 43 -3.627 -2.438 -4.601 1.00 0.00 C ATOM 559 O PHE A 43 -4.837 -2.445 -4.370 1.00 0.00 O ATOM 560 CB PHE A 43 -3.757 -4.813 -5.375 1.00 0.00 C ATOM 561 CG PHE A 43 -3.377 -6.213 -4.985 1.00 0.00 C ATOM 562 CD1 PHE A 43 -2.098 -6.691 -5.222 1.00 0.00 C ATOM 563 CD2 PHE A 43 -4.300 -7.052 -4.380 1.00 0.00 C ATOM 564 CE1 PHE A 43 -1.747 -7.978 -4.864 1.00 0.00 C ATOM 565 CE2 PHE A 43 -3.954 -8.340 -4.019 1.00 0.00 C ATOM 566 CZ PHE A 43 -2.676 -8.804 -4.261 1.00 0.00 C ATOM 0 H PHE A 43 -2.512 -5.178 -3.272 1.00 0.00 H new ATOM 0 HA PHE A 43 -2.008 -3.564 -5.429 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -4.786 -4.626 -5.070 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -3.726 -4.726 -6.461 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -1.367 -6.050 -5.692 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -5.301 -6.695 -4.189 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -0.747 -8.338 -5.055 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -4.682 -8.983 -3.548 1.00 0.00 H new ATOM 0 HZ PHE A 43 -2.403 -9.810 -3.980 1.00 0.00 H new ATOM 576 N VAL A 44 -2.922 -1.318 -4.725 1.00 0.00 N ATOM 577 CA VAL A 44 -3.542 -0.005 -4.595 1.00 0.00 C ATOM 578 C VAL A 44 -3.662 0.683 -5.950 1.00 0.00 C ATOM 579 O VAL A 44 -3.138 0.198 -6.953 1.00 0.00 O ATOM 580 CB VAL A 44 -2.742 0.901 -3.640 1.00 0.00 C ATOM 581 CG1 VAL A 44 -2.401 0.158 -2.358 1.00 0.00 C ATOM 582 CG2 VAL A 44 -1.481 1.411 -4.322 1.00 0.00 C ATOM 0 H VAL A 44 -1.920 -1.294 -4.915 1.00 0.00 H new ATOM 0 HA VAL A 44 -4.538 -0.165 -4.183 1.00 0.00 H new ATOM 0 HB VAL A 44 -3.360 1.760 -3.379 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -1.836 0.814 -1.696 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -3.321 -0.153 -1.862 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -1.802 -0.721 -2.595 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -0.928 2.049 -3.633 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -0.858 0.566 -4.613 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -1.753 1.984 -5.209 1.00 0.00 H new ATOM 592 N HIS A 45 -4.355 1.818 -5.972 1.00 0.00 N ATOM 593 CA HIS A 45 -4.543 2.574 -7.205 1.00 0.00 C ATOM 594 C HIS A 45 -3.396 3.557 -7.420 1.00 0.00 C ATOM 595 O HIS A 45 -3.059 4.335 -6.529 1.00 0.00 O ATOM 596 CB HIS A 45 -5.874 3.327 -7.168 1.00 0.00 C ATOM 597 CG HIS A 45 -7.068 2.441 -7.353 1.00 0.00 C ATOM 598 ND1 HIS A 45 -8.360 2.861 -7.116 1.00 0.00 N ATOM 599 CD2 HIS A 45 -7.160 1.153 -7.758 1.00 0.00 C ATOM 600 CE1 HIS A 45 -9.195 1.868 -7.364 1.00 0.00 C ATOM 601 NE2 HIS A 45 -8.493 0.820 -7.756 1.00 0.00 N ATOM 0 H HIS A 45 -4.795 2.233 -5.151 1.00 0.00 H new ATOM 0 HA HIS A 45 -4.555 1.869 -8.036 1.00 0.00 H new ATOM 0 HB2 HIS A 45 -5.962 3.847 -6.214 1.00 0.00 H new ATOM 0 HB3 HIS A 45 -5.873 4.089 -7.947 1.00 0.00 H new ATOM 0 HD1 HIS A 45 -8.629 3.792 -6.799 1.00 0.00 H new ATOM 0 HD2 HIS A 45 -6.339 0.507 -8.032 1.00 0.00 H new ATOM 0 HE1 HIS A 45 -10.270 1.906 -7.263 1.00 0.00 H new ATOM 609 N GLN A 46 -2.800 3.513 -8.607 1.00 0.00 N ATOM 610 CA GLN A 46 -1.690 4.398 -8.938 1.00 0.00 C ATOM 611 C GLN A 46 -1.893 5.779 -8.323 1.00 0.00 C ATOM 612 O GLN A 46 -0.969 6.357 -7.751 1.00 0.00 O ATOM 613 CB GLN A 46 -1.541 4.519 -10.455 1.00 0.00 C ATOM 614 CG GLN A 46 -0.429 5.464 -10.884 1.00 0.00 C ATOM 615 CD GLN A 46 -0.434 5.732 -12.376 1.00 0.00 C ATOM 616 OE1 GLN A 46 -0.748 4.850 -13.176 1.00 0.00 O ATOM 617 NE2 GLN A 46 -0.086 6.955 -12.759 1.00 0.00 N ATOM 0 H GLN A 46 -3.067 2.874 -9.356 1.00 0.00 H new ATOM 0 HA GLN A 46 -0.779 3.966 -8.524 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -1.348 3.531 -10.873 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -2.484 4.865 -10.878 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -0.533 6.408 -10.349 1.00 0.00 H new ATOM 0 HG3 GLN A 46 0.534 5.040 -10.598 1.00 0.00 H new ATOM 0 HE21 GLN A 46 0.167 7.655 -12.062 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -0.072 7.194 -13.750 1.00 0.00 H new ATOM 626 N ALA A 47 -3.109 6.303 -8.446 1.00 0.00 N ATOM 627 CA ALA A 47 -3.434 7.615 -7.901 1.00 0.00 C ATOM 628 C ALA A 47 -3.516 7.573 -6.379 1.00 0.00 C ATOM 629 O ALA A 47 -2.742 8.234 -5.686 1.00 0.00 O ATOM 630 CB ALA A 47 -4.743 8.121 -8.488 1.00 0.00 C ATOM 0 H ALA A 47 -3.885 5.839 -8.918 1.00 0.00 H new ATOM 0 HA ALA A 47 -2.635 8.303 -8.177 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -4.973 9.102 -8.072 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -4.650 8.199 -9.571 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -5.545 7.425 -8.242 1.00 0.00 H new ATOM 636 N CYS A 48 -4.458 6.791 -5.863 1.00 0.00 N ATOM 637 CA CYS A 48 -4.643 6.662 -4.423 1.00 0.00 C ATOM 638 C CYS A 48 -3.299 6.661 -3.700 1.00 0.00 C ATOM 639 O CYS A 48 -3.081 7.438 -2.769 1.00 0.00 O ATOM 640 CB CYS A 48 -5.409 5.379 -4.098 1.00 0.00 C ATOM 641 SG CYS A 48 -7.184 5.450 -4.503 1.00 0.00 S ATOM 0 H CYS A 48 -5.106 6.236 -6.422 1.00 0.00 H new ATOM 0 HA CYS A 48 -5.221 7.519 -4.079 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -4.956 4.550 -4.642 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -5.298 5.161 -3.036 1.00 0.00 H new ATOM 646 N LEU A 49 -2.400 5.786 -4.136 1.00 0.00 N ATOM 647 CA LEU A 49 -1.076 5.683 -3.531 1.00 0.00 C ATOM 648 C LEU A 49 -0.568 7.055 -3.098 1.00 0.00 C ATOM 649 O LEU A 49 -0.004 7.203 -2.014 1.00 0.00 O ATOM 650 CB LEU A 49 -0.092 5.050 -4.516 1.00 0.00 C ATOM 651 CG LEU A 49 1.355 4.929 -4.035 1.00 0.00 C ATOM 652 CD1 LEU A 49 1.452 3.954 -2.873 1.00 0.00 C ATOM 653 CD2 LEU A 49 2.262 4.493 -5.177 1.00 0.00 C ATOM 0 H LEU A 49 -2.563 5.137 -4.906 1.00 0.00 H new ATOM 0 HA LEU A 49 -1.155 5.049 -2.648 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -0.454 4.054 -4.770 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -0.101 5.636 -5.435 1.00 0.00 H new ATOM 0 HG LEU A 49 1.685 5.908 -3.689 1.00 0.00 H new ATOM 0 HD11 LEU A 49 2.489 3.881 -2.545 1.00 0.00 H new ATOM 0 HD12 LEU A 49 0.834 4.309 -2.048 1.00 0.00 H new ATOM 0 HD13 LEU A 49 1.103 2.972 -3.192 1.00 0.00 H new ATOM 0 HD21 LEU A 49 3.288 4.412 -4.817 1.00 0.00 H new ATOM 0 HD22 LEU A 49 1.932 3.525 -5.554 1.00 0.00 H new ATOM 0 HD23 LEU A 49 2.216 5.229 -5.979 1.00 0.00 H new ATOM 665 N GLN A 50 -0.773 8.053 -3.951 1.00 0.00 N ATOM 666 CA GLN A 50 -0.337 9.412 -3.655 1.00 0.00 C ATOM 667 C GLN A 50 -1.003 9.934 -2.386 1.00 0.00 C ATOM 668 O GLN A 50 -0.332 10.219 -1.394 1.00 0.00 O ATOM 669 CB GLN A 50 -0.654 10.340 -4.829 1.00 0.00 C ATOM 670 CG GLN A 50 -0.135 9.829 -6.164 1.00 0.00 C ATOM 671 CD GLN A 50 -0.739 10.565 -7.344 1.00 0.00 C ATOM 672 OE1 GLN A 50 -1.210 9.948 -8.300 1.00 0.00 O ATOM 673 NE2 GLN A 50 -0.729 11.891 -7.283 1.00 0.00 N ATOM 0 H GLN A 50 -1.238 7.946 -4.852 1.00 0.00 H new ATOM 0 HA GLN A 50 0.741 9.393 -3.497 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -1.734 10.473 -4.895 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -0.223 11.322 -4.632 1.00 0.00 H new ATOM 0 HG2 GLN A 50 0.950 9.933 -6.192 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -0.355 8.765 -6.252 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -0.328 12.361 -6.471 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -1.122 12.440 -8.048 1.00 0.00 H new ATOM 682 N GLN A 51 -2.326 10.055 -2.425 1.00 0.00 N ATOM 683 CA GLN A 51 -3.082 10.544 -1.278 1.00 0.00 C ATOM 684 C GLN A 51 -2.566 9.926 0.017 1.00 0.00 C ATOM 685 O GLN A 51 -2.350 10.626 1.007 1.00 0.00 O ATOM 686 CB GLN A 51 -4.569 10.229 -1.449 1.00 0.00 C ATOM 687 CG GLN A 51 -5.480 11.123 -0.623 1.00 0.00 C ATOM 688 CD GLN A 51 -6.842 10.503 -0.380 1.00 0.00 C ATOM 689 OE1 GLN A 51 -7.090 9.915 0.673 1.00 0.00 O ATOM 690 NE2 GLN A 51 -7.734 10.632 -1.355 1.00 0.00 N ATOM 0 H GLN A 51 -2.896 9.821 -3.238 1.00 0.00 H new ATOM 0 HA GLN A 51 -2.950 11.625 -1.222 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -4.834 10.328 -2.502 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -4.746 9.190 -1.172 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -5.005 11.334 0.335 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -5.606 12.078 -1.133 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -7.486 11.127 -2.211 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -8.668 10.236 -1.248 1.00 0.00 H new ATOM 699 N TRP A 52 -2.370 8.613 0.003 1.00 0.00 N ATOM 700 CA TRP A 52 -1.879 7.901 1.178 1.00 0.00 C ATOM 701 C TRP A 52 -0.474 8.363 1.547 1.00 0.00 C ATOM 702 O TRP A 52 -0.208 8.713 2.697 1.00 0.00 O ATOM 703 CB TRP A 52 -1.883 6.393 0.924 1.00 0.00 C ATOM 704 CG TRP A 52 -1.221 5.605 2.014 1.00 0.00 C ATOM 705 CD1 TRP A 52 -1.825 5.046 3.104 1.00 0.00 C ATOM 706 CD2 TRP A 52 0.172 5.292 2.120 1.00 0.00 C ATOM 707 NE1 TRP A 52 -0.891 4.404 3.881 1.00 0.00 N ATOM 708 CE2 TRP A 52 0.342 4.539 3.299 1.00 0.00 C ATOM 709 CE3 TRP A 52 1.293 5.572 1.333 1.00 0.00 C ATOM 710 CZ2 TRP A 52 1.586 4.066 3.707 1.00 0.00 C ATOM 711 CZ3 TRP A 52 2.527 5.102 1.740 1.00 0.00 C ATOM 712 CH2 TRP A 52 2.666 4.355 2.918 1.00 0.00 C ATOM 0 H TRP A 52 -2.543 8.019 -0.808 1.00 0.00 H new ATOM 0 HA TRP A 52 -2.545 8.124 2.012 1.00 0.00 H new ATOM 0 HB2 TRP A 52 -2.913 6.053 0.814 1.00 0.00 H new ATOM 0 HB3 TRP A 52 -1.377 6.189 -0.020 1.00 0.00 H new ATOM 0 HD1 TRP A 52 -2.881 5.101 3.323 1.00 0.00 H new ATOM 0 HE1 TRP A 52 -1.084 3.907 4.751 1.00 0.00 H new ATOM 0 HE3 TRP A 52 1.196 6.146 0.423 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 1.695 3.491 4.615 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 3.400 5.314 1.140 1.00 0.00 H new ATOM 0 HH2 TRP A 52 3.644 4.001 3.208 1.00 0.00 H new ATOM 723 N ILE A 53 0.421 8.363 0.565 1.00 0.00 N ATOM 724 CA ILE A 53 1.799 8.785 0.787 1.00 0.00 C ATOM 725 C ILE A 53 1.853 10.113 1.535 1.00 0.00 C ATOM 726 O ILE A 53 2.782 10.368 2.303 1.00 0.00 O ATOM 727 CB ILE A 53 2.566 8.924 -0.541 1.00 0.00 C ATOM 728 CG1 ILE A 53 2.955 7.545 -1.077 1.00 0.00 C ATOM 729 CG2 ILE A 53 3.802 9.791 -0.350 1.00 0.00 C ATOM 730 CD1 ILE A 53 3.715 7.597 -2.384 1.00 0.00 C ATOM 0 H ILE A 53 0.217 8.076 -0.392 1.00 0.00 H new ATOM 0 HA ILE A 53 2.273 8.011 1.391 1.00 0.00 H new ATOM 0 HB ILE A 53 1.916 9.407 -1.270 1.00 0.00 H new ATOM 0 HG12 ILE A 53 3.564 7.033 -0.332 1.00 0.00 H new ATOM 0 HG13 ILE A 53 2.052 6.950 -1.214 1.00 0.00 H new ATOM 0 HG21 ILE A 53 4.334 9.880 -1.297 1.00 0.00 H new ATOM 0 HG22 ILE A 53 3.502 10.781 -0.008 1.00 0.00 H new ATOM 0 HG23 ILE A 53 4.456 9.333 0.392 1.00 0.00 H new ATOM 0 HD11 ILE A 53 3.958 6.584 -2.704 1.00 0.00 H new ATOM 0 HD12 ILE A 53 3.100 8.080 -3.143 1.00 0.00 H new ATOM 0 HD13 ILE A 53 4.635 8.165 -2.247 1.00 0.00 H new ATOM 742 N LYS A 54 0.852 10.955 1.307 1.00 0.00 N ATOM 743 CA LYS A 54 0.783 12.257 1.961 1.00 0.00 C ATOM 744 C LYS A 54 0.585 12.100 3.465 1.00 0.00 C ATOM 745 O LYS A 54 1.253 12.760 4.261 1.00 0.00 O ATOM 746 CB LYS A 54 -0.359 13.087 1.369 1.00 0.00 C ATOM 747 CG LYS A 54 -0.378 13.099 -0.150 1.00 0.00 C ATOM 748 CD LYS A 54 0.393 14.284 -0.708 1.00 0.00 C ATOM 749 CE LYS A 54 1.894 14.053 -0.641 1.00 0.00 C ATOM 750 NZ LYS A 54 2.644 15.036 -1.470 1.00 0.00 N ATOM 0 H LYS A 54 0.076 10.760 0.674 1.00 0.00 H new ATOM 0 HA LYS A 54 1.727 12.774 1.789 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -1.309 12.695 1.733 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -0.278 14.112 1.731 1.00 0.00 H new ATOM 0 HG2 LYS A 54 0.054 12.172 -0.528 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -1.409 13.136 -0.502 1.00 0.00 H new ATOM 0 HD2 LYS A 54 0.096 14.458 -1.742 1.00 0.00 H new ATOM 0 HD3 LYS A 54 0.137 15.183 -0.147 1.00 0.00 H new ATOM 0 HE2 LYS A 54 2.226 14.123 0.395 1.00 0.00 H new ATOM 0 HE3 LYS A 54 2.121 13.043 -0.981 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 3.664 14.845 -1.398 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 2.346 14.952 -2.463 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 2.447 15.999 -1.130 1.00 0.00 H new ATOM 764 N SER A 55 -0.336 11.222 3.848 1.00 0.00 N ATOM 765 CA SER A 55 -0.624 10.980 5.257 1.00 0.00 C ATOM 766 C SER A 55 0.475 10.139 5.899 1.00 0.00 C ATOM 767 O SER A 55 1.184 10.601 6.793 1.00 0.00 O ATOM 768 CB SER A 55 -1.974 10.279 5.411 1.00 0.00 C ATOM 769 OG SER A 55 -2.108 9.707 6.701 1.00 0.00 O ATOM 0 H SER A 55 -0.896 10.666 3.202 1.00 0.00 H new ATOM 0 HA SER A 55 -0.664 11.944 5.765 1.00 0.00 H new ATOM 0 HB2 SER A 55 -2.780 10.993 5.241 1.00 0.00 H new ATOM 0 HB3 SER A 55 -2.072 9.502 4.653 1.00 0.00 H new ATOM 0 HG SER A 55 -2.980 9.266 6.774 1.00 0.00 H new ATOM 775 N SER A 56 0.610 8.900 5.436 1.00 0.00 N ATOM 776 CA SER A 56 1.620 7.992 5.967 1.00 0.00 C ATOM 777 C SER A 56 3.014 8.599 5.847 1.00 0.00 C ATOM 778 O SER A 56 3.972 8.105 6.443 1.00 0.00 O ATOM 779 CB SER A 56 1.570 6.652 5.229 1.00 0.00 C ATOM 780 OG SER A 56 1.959 5.587 6.079 1.00 0.00 O ATOM 0 H SER A 56 0.033 8.502 4.695 1.00 0.00 H new ATOM 0 HA SER A 56 1.405 7.826 7.023 1.00 0.00 H new ATOM 0 HB2 SER A 56 0.561 6.475 4.858 1.00 0.00 H new ATOM 0 HB3 SER A 56 2.227 6.687 4.360 1.00 0.00 H new ATOM 0 HG SER A 56 2.237 4.820 5.536 1.00 0.00 H new ATOM 786 N ASP A 57 3.120 9.673 5.073 1.00 0.00 N ATOM 787 CA ASP A 57 4.396 10.350 4.874 1.00 0.00 C ATOM 788 C ASP A 57 5.505 9.345 4.579 1.00 0.00 C ATOM 789 O ASP A 57 6.663 9.557 4.939 1.00 0.00 O ATOM 790 CB ASP A 57 4.757 11.177 6.109 1.00 0.00 C ATOM 791 CG ASP A 57 4.622 10.386 7.396 1.00 0.00 C ATOM 792 OD1 ASP A 57 5.582 9.674 7.758 1.00 0.00 O ATOM 793 OD2 ASP A 57 3.556 10.479 8.040 1.00 0.00 O ATOM 0 H ASP A 57 2.337 10.094 4.573 1.00 0.00 H new ATOM 0 HA ASP A 57 4.296 11.015 4.017 1.00 0.00 H new ATOM 0 HB2 ASP A 57 5.781 11.538 6.014 1.00 0.00 H new ATOM 0 HB3 ASP A 57 4.112 12.055 6.156 1.00 0.00 H new ATOM 798 N THR A 58 5.142 8.247 3.921 1.00 0.00 N ATOM 799 CA THR A 58 6.104 7.208 3.579 1.00 0.00 C ATOM 800 C THR A 58 6.156 6.981 2.073 1.00 0.00 C ATOM 801 O THR A 58 5.123 6.942 1.405 1.00 0.00 O ATOM 802 CB THR A 58 5.764 5.877 4.276 1.00 0.00 C ATOM 803 OG1 THR A 58 5.695 6.069 5.694 1.00 0.00 O ATOM 804 CG2 THR A 58 6.806 4.816 3.954 1.00 0.00 C ATOM 0 H THR A 58 4.188 8.056 3.615 1.00 0.00 H new ATOM 0 HA THR A 58 7.078 7.553 3.925 1.00 0.00 H new ATOM 0 HB THR A 58 4.796 5.537 3.908 1.00 0.00 H new ATOM 0 HG1 THR A 58 5.027 6.756 5.899 1.00 0.00 H new ATOM 0 HG21 THR A 58 6.545 3.885 4.457 1.00 0.00 H new ATOM 0 HG22 THR A 58 6.836 4.650 2.877 1.00 0.00 H new ATOM 0 HG23 THR A 58 7.785 5.151 4.297 1.00 0.00 H new ATOM 812 N ARG A 59 7.366 6.831 1.543 1.00 0.00 N ATOM 813 CA ARG A 59 7.552 6.608 0.115 1.00 0.00 C ATOM 814 C ARG A 59 7.826 5.135 -0.175 1.00 0.00 C ATOM 815 O ARG A 59 7.407 4.606 -1.205 1.00 0.00 O ATOM 816 CB ARG A 59 8.705 7.465 -0.411 1.00 0.00 C ATOM 817 CG ARG A 59 8.336 8.926 -0.611 1.00 0.00 C ATOM 818 CD ARG A 59 8.176 9.648 0.717 1.00 0.00 C ATOM 819 NE ARG A 59 9.456 9.833 1.397 1.00 0.00 N ATOM 820 CZ ARG A 59 9.630 10.657 2.424 1.00 0.00 C ATOM 821 NH1 ARG A 59 8.611 11.367 2.888 1.00 0.00 N ATOM 822 NH2 ARG A 59 10.825 10.771 2.989 1.00 0.00 N ATOM 0 H ARG A 59 8.232 6.860 2.082 1.00 0.00 H new ATOM 0 HA ARG A 59 6.632 6.896 -0.394 1.00 0.00 H new ATOM 0 HB2 ARG A 59 9.541 7.402 0.286 1.00 0.00 H new ATOM 0 HB3 ARG A 59 9.050 7.053 -1.359 1.00 0.00 H new ATOM 0 HG2 ARG A 59 9.107 9.419 -1.204 1.00 0.00 H new ATOM 0 HG3 ARG A 59 7.407 8.993 -1.177 1.00 0.00 H new ATOM 0 HD2 ARG A 59 7.712 10.619 0.548 1.00 0.00 H new ATOM 0 HD3 ARG A 59 7.503 9.080 1.359 1.00 0.00 H new ATOM 0 HE ARG A 59 10.260 9.300 1.065 1.00 0.00 H new ATOM 0 HH11 ARG A 59 7.691 11.281 2.456 1.00 0.00 H new ATOM 0 HH12 ARG A 59 8.747 11.999 3.677 1.00 0.00 H new ATOM 0 HH21 ARG A 59 11.611 10.226 2.635 1.00 0.00 H new ATOM 0 HH22 ARG A 59 10.958 11.404 3.778 1.00 0.00 H new ATOM 836 N CYS A 60 8.532 4.479 0.740 1.00 0.00 N ATOM 837 CA CYS A 60 8.864 3.068 0.583 1.00 0.00 C ATOM 838 C CYS A 60 7.945 2.195 1.432 1.00 0.00 C ATOM 839 O CYS A 60 7.083 2.700 2.152 1.00 0.00 O ATOM 840 CB CYS A 60 10.323 2.819 0.968 1.00 0.00 C ATOM 841 SG CYS A 60 11.506 3.874 0.099 1.00 0.00 S ATOM 0 H CYS A 60 8.885 4.902 1.598 1.00 0.00 H new ATOM 0 HA CYS A 60 8.722 2.802 -0.464 1.00 0.00 H new ATOM 0 HB2 CYS A 60 10.436 2.973 2.041 1.00 0.00 H new ATOM 0 HB3 CYS A 60 10.567 1.776 0.768 1.00 0.00 H new ATOM 0 HG CYS A 60 12.712 3.590 0.494 1.00 0.00 H new ATOM 847 N CYS A 61 8.133 0.883 1.341 1.00 0.00 N ATOM 848 CA CYS A 61 7.321 -0.061 2.098 1.00 0.00 C ATOM 849 C CYS A 61 7.635 0.025 3.589 1.00 0.00 C ATOM 850 O CYS A 61 8.626 0.635 3.990 1.00 0.00 O ATOM 851 CB CYS A 61 7.557 -1.487 1.597 1.00 0.00 C ATOM 852 SG CYS A 61 6.292 -2.683 2.133 1.00 0.00 S ATOM 0 H CYS A 61 8.842 0.449 0.750 1.00 0.00 H new ATOM 0 HA CYS A 61 6.273 0.200 1.949 1.00 0.00 H new ATOM 0 HB2 CYS A 61 7.593 -1.476 0.508 1.00 0.00 H new ATOM 0 HB3 CYS A 61 8.533 -1.826 1.945 1.00 0.00 H new ATOM 857 N GLU A 62 6.784 -0.591 4.404 1.00 0.00 N ATOM 858 CA GLU A 62 6.972 -0.583 5.850 1.00 0.00 C ATOM 859 C GLU A 62 7.841 -1.757 6.292 1.00 0.00 C ATOM 860 O GLU A 62 8.555 -1.674 7.292 1.00 0.00 O ATOM 861 CB GLU A 62 5.619 -0.639 6.563 1.00 0.00 C ATOM 862 CG GLU A 62 4.616 -1.563 5.892 1.00 0.00 C ATOM 863 CD GLU A 62 3.352 -1.745 6.711 1.00 0.00 C ATOM 864 OE1 GLU A 62 3.371 -1.407 7.913 1.00 0.00 O ATOM 865 OE2 GLU A 62 2.345 -2.225 6.150 1.00 0.00 O ATOM 0 H GLU A 62 5.959 -1.101 4.088 1.00 0.00 H new ATOM 0 HA GLU A 62 7.479 0.344 6.120 1.00 0.00 H new ATOM 0 HB2 GLU A 62 5.773 -0.968 7.591 1.00 0.00 H new ATOM 0 HB3 GLU A 62 5.200 0.366 6.609 1.00 0.00 H new ATOM 0 HG2 GLU A 62 4.355 -1.161 4.913 1.00 0.00 H new ATOM 0 HG3 GLU A 62 5.079 -2.535 5.724 1.00 0.00 H new ATOM 872 N LEU A 63 7.774 -2.851 5.541 1.00 0.00 N ATOM 873 CA LEU A 63 8.553 -4.044 5.855 1.00 0.00 C ATOM 874 C LEU A 63 9.722 -4.200 4.887 1.00 0.00 C ATOM 875 O LEU A 63 10.884 -4.079 5.275 1.00 0.00 O ATOM 876 CB LEU A 63 7.663 -5.287 5.803 1.00 0.00 C ATOM 877 CG LEU A 63 6.427 -5.265 6.703 1.00 0.00 C ATOM 878 CD1 LEU A 63 5.326 -6.135 6.118 1.00 0.00 C ATOM 879 CD2 LEU A 63 6.784 -5.727 8.109 1.00 0.00 C ATOM 0 H LEU A 63 7.188 -2.937 4.710 1.00 0.00 H new ATOM 0 HA LEU A 63 8.952 -3.933 6.863 1.00 0.00 H new ATOM 0 HB2 LEU A 63 7.336 -5.432 4.773 1.00 0.00 H new ATOM 0 HB3 LEU A 63 8.267 -6.154 6.071 1.00 0.00 H new ATOM 0 HG LEU A 63 6.060 -4.240 6.760 1.00 0.00 H new ATOM 0 HD11 LEU A 63 4.454 -6.107 6.772 1.00 0.00 H new ATOM 0 HD12 LEU A 63 5.052 -5.761 5.132 1.00 0.00 H new ATOM 0 HD13 LEU A 63 5.681 -7.162 6.031 1.00 0.00 H new ATOM 0 HD21 LEU A 63 5.893 -5.705 8.736 1.00 0.00 H new ATOM 0 HD22 LEU A 63 7.175 -6.744 8.070 1.00 0.00 H new ATOM 0 HD23 LEU A 63 7.540 -5.063 8.529 1.00 0.00 H new ATOM 891 N CYS A 64 9.406 -4.468 3.624 1.00 0.00 N ATOM 892 CA CYS A 64 10.428 -4.640 2.599 1.00 0.00 C ATOM 893 C CYS A 64 11.144 -3.322 2.320 1.00 0.00 C ATOM 894 O CYS A 64 12.189 -3.295 1.668 1.00 0.00 O ATOM 895 CB CYS A 64 9.803 -5.177 1.310 1.00 0.00 C ATOM 896 SG CYS A 64 8.815 -3.950 0.396 1.00 0.00 S ATOM 0 H CYS A 64 8.449 -4.571 3.286 1.00 0.00 H new ATOM 0 HA CYS A 64 11.159 -5.360 2.967 1.00 0.00 H new ATOM 0 HB2 CYS A 64 10.597 -5.546 0.660 1.00 0.00 H new ATOM 0 HB3 CYS A 64 9.169 -6.029 1.554 1.00 0.00 H new ATOM 901 N LYS A 65 10.575 -2.229 2.817 1.00 0.00 N ATOM 902 CA LYS A 65 11.158 -0.906 2.623 1.00 0.00 C ATOM 903 C LYS A 65 11.509 -0.676 1.156 1.00 0.00 C ATOM 904 O LYS A 65 12.639 -0.315 0.828 1.00 0.00 O ATOM 905 CB LYS A 65 12.410 -0.746 3.489 1.00 0.00 C ATOM 906 CG LYS A 65 12.139 -0.870 4.978 1.00 0.00 C ATOM 907 CD LYS A 65 11.416 0.353 5.517 1.00 0.00 C ATOM 908 CE LYS A 65 11.737 0.589 6.985 1.00 0.00 C ATOM 909 NZ LYS A 65 10.852 -0.206 7.881 1.00 0.00 N ATOM 0 H LYS A 65 9.710 -2.233 3.358 1.00 0.00 H new ATOM 0 HA LYS A 65 10.419 -0.163 2.923 1.00 0.00 H new ATOM 0 HB2 LYS A 65 13.142 -1.499 3.197 1.00 0.00 H new ATOM 0 HB3 LYS A 65 12.858 0.228 3.289 1.00 0.00 H new ATOM 0 HG2 LYS A 65 11.540 -1.761 5.167 1.00 0.00 H new ATOM 0 HG3 LYS A 65 13.081 -1.001 5.511 1.00 0.00 H new ATOM 0 HD2 LYS A 65 11.700 1.230 4.936 1.00 0.00 H new ATOM 0 HD3 LYS A 65 10.341 0.224 5.395 1.00 0.00 H new ATOM 0 HE2 LYS A 65 12.777 0.326 7.176 1.00 0.00 H new ATOM 0 HE3 LYS A 65 11.628 1.649 7.215 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 10.474 0.409 8.630 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 10.065 -0.603 7.329 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 11.398 -0.979 8.311 1.00 0.00 H new ATOM 923 N TYR A 66 10.534 -0.886 0.280 1.00 0.00 N ATOM 924 CA TYR A 66 10.740 -0.702 -1.152 1.00 0.00 C ATOM 925 C TYR A 66 10.046 0.565 -1.644 1.00 0.00 C ATOM 926 O TYR A 66 8.850 0.754 -1.427 1.00 0.00 O ATOM 927 CB TYR A 66 10.218 -1.915 -1.924 1.00 0.00 C ATOM 928 CG TYR A 66 10.285 -1.752 -3.425 1.00 0.00 C ATOM 929 CD1 TYR A 66 9.336 -0.998 -4.105 1.00 0.00 C ATOM 930 CD2 TYR A 66 11.298 -2.351 -4.165 1.00 0.00 C ATOM 931 CE1 TYR A 66 9.393 -0.847 -5.477 1.00 0.00 C ATOM 932 CE2 TYR A 66 11.363 -2.204 -5.537 1.00 0.00 C ATOM 933 CZ TYR A 66 10.408 -1.452 -6.188 1.00 0.00 C ATOM 934 OH TYR A 66 10.469 -1.303 -7.555 1.00 0.00 O ATOM 0 H TYR A 66 9.593 -1.184 0.536 1.00 0.00 H new ATOM 0 HA TYR A 66 11.811 -0.600 -1.329 1.00 0.00 H new ATOM 0 HB2 TYR A 66 10.795 -2.794 -1.636 1.00 0.00 H new ATOM 0 HB3 TYR A 66 9.184 -2.103 -1.633 1.00 0.00 H new ATOM 0 HD1 TYR A 66 8.540 -0.522 -3.551 1.00 0.00 H new ATOM 0 HD2 TYR A 66 12.047 -2.941 -3.658 1.00 0.00 H new ATOM 0 HE1 TYR A 66 8.647 -0.258 -5.990 1.00 0.00 H new ATOM 0 HE2 TYR A 66 12.157 -2.675 -6.097 1.00 0.00 H new ATOM 0 HH TYR A 66 11.244 -1.791 -7.903 1.00 0.00 H new ATOM 944 N GLU A 67 10.808 1.428 -2.308 1.00 0.00 N ATOM 945 CA GLU A 67 10.267 2.678 -2.831 1.00 0.00 C ATOM 946 C GLU A 67 9.093 2.412 -3.770 1.00 0.00 C ATOM 947 O GLU A 67 9.190 1.595 -4.686 1.00 0.00 O ATOM 948 CB GLU A 67 11.355 3.462 -3.567 1.00 0.00 C ATOM 949 CG GLU A 67 11.188 4.969 -3.474 1.00 0.00 C ATOM 950 CD GLU A 67 12.440 5.721 -3.882 1.00 0.00 C ATOM 951 OE1 GLU A 67 12.980 5.429 -4.969 1.00 0.00 O ATOM 952 OE2 GLU A 67 12.878 6.603 -3.114 1.00 0.00 O ATOM 0 H GLU A 67 11.800 1.285 -2.497 1.00 0.00 H new ATOM 0 HA GLU A 67 9.910 3.270 -1.989 1.00 0.00 H new ATOM 0 HB2 GLU A 67 12.328 3.187 -3.159 1.00 0.00 H new ATOM 0 HB3 GLU A 67 11.355 3.169 -4.617 1.00 0.00 H new ATOM 0 HG2 GLU A 67 10.359 5.279 -4.110 1.00 0.00 H new ATOM 0 HG3 GLU A 67 10.923 5.239 -2.452 1.00 0.00 H new ATOM 959 N PHE A 68 7.985 3.106 -3.534 1.00 0.00 N ATOM 960 CA PHE A 68 6.792 2.945 -4.356 1.00 0.00 C ATOM 961 C PHE A 68 6.950 3.665 -5.692 1.00 0.00 C ATOM 962 O PHE A 68 7.818 4.525 -5.846 1.00 0.00 O ATOM 963 CB PHE A 68 5.562 3.479 -3.618 1.00 0.00 C ATOM 964 CG PHE A 68 5.345 2.841 -2.276 1.00 0.00 C ATOM 965 CD1 PHE A 68 5.425 1.465 -2.127 1.00 0.00 C ATOM 966 CD2 PHE A 68 5.059 3.616 -1.164 1.00 0.00 C ATOM 967 CE1 PHE A 68 5.225 0.875 -0.893 1.00 0.00 C ATOM 968 CE2 PHE A 68 4.859 3.031 0.072 1.00 0.00 C ATOM 969 CZ PHE A 68 4.941 1.659 0.208 1.00 0.00 C ATOM 0 H PHE A 68 7.889 3.786 -2.780 1.00 0.00 H new ATOM 0 HA PHE A 68 6.657 1.881 -4.551 1.00 0.00 H new ATOM 0 HB2 PHE A 68 5.666 4.556 -3.487 1.00 0.00 H new ATOM 0 HB3 PHE A 68 4.679 3.317 -4.236 1.00 0.00 H new ATOM 0 HD1 PHE A 68 5.646 0.847 -2.985 1.00 0.00 H new ATOM 0 HD2 PHE A 68 4.992 4.689 -1.264 1.00 0.00 H new ATOM 0 HE1 PHE A 68 5.291 -0.198 -0.790 1.00 0.00 H new ATOM 0 HE2 PHE A 68 4.639 3.647 0.932 1.00 0.00 H new ATOM 0 HZ PHE A 68 4.783 1.200 1.173 1.00 0.00 H new ATOM 979 N ILE A 69 6.107 3.307 -6.654 1.00 0.00 N ATOM 980 CA ILE A 69 6.152 3.919 -7.976 1.00 0.00 C ATOM 981 C ILE A 69 5.493 5.295 -7.968 1.00 0.00 C ATOM 982 O ILE A 69 4.280 5.412 -7.796 1.00 0.00 O ATOM 983 CB ILE A 69 5.458 3.036 -9.029 1.00 0.00 C ATOM 984 CG1 ILE A 69 6.155 1.677 -9.126 1.00 0.00 C ATOM 985 CG2 ILE A 69 5.451 3.732 -10.382 1.00 0.00 C ATOM 986 CD1 ILE A 69 5.406 0.673 -9.974 1.00 0.00 C ATOM 0 H ILE A 69 5.384 2.596 -6.543 1.00 0.00 H new ATOM 0 HA ILE A 69 7.205 4.024 -8.239 1.00 0.00 H new ATOM 0 HB ILE A 69 4.425 2.872 -8.721 1.00 0.00 H new ATOM 0 HG12 ILE A 69 7.153 1.818 -9.541 1.00 0.00 H new ATOM 0 HG13 ILE A 69 6.282 1.270 -8.123 1.00 0.00 H new ATOM 0 HG21 ILE A 69 4.957 3.095 -11.116 1.00 0.00 H new ATOM 0 HG22 ILE A 69 4.914 4.677 -10.302 1.00 0.00 H new ATOM 0 HG23 ILE A 69 6.477 3.922 -10.698 1.00 0.00 H new ATOM 0 HD11 ILE A 69 5.958 -0.267 -9.998 1.00 0.00 H new ATOM 0 HD12 ILE A 69 4.417 0.502 -9.548 1.00 0.00 H new ATOM 0 HD13 ILE A 69 5.302 1.059 -10.988 1.00 0.00 H new ATOM 998 N MET A 70 6.301 6.333 -8.156 1.00 0.00 N ATOM 999 CA MET A 70 5.796 7.701 -8.174 1.00 0.00 C ATOM 1000 C MET A 70 6.559 8.549 -9.186 1.00 0.00 C ATOM 1001 O MET A 70 7.789 8.537 -9.217 1.00 0.00 O ATOM 1002 CB MET A 70 5.905 8.325 -6.782 1.00 0.00 C ATOM 1003 CG MET A 70 5.656 9.825 -6.768 1.00 0.00 C ATOM 1004 SD MET A 70 5.099 10.421 -5.160 1.00 0.00 S ATOM 1005 CE MET A 70 3.405 9.841 -5.152 1.00 0.00 C ATOM 0 H MET A 70 7.308 6.253 -8.298 1.00 0.00 H new ATOM 0 HA MET A 70 4.747 7.671 -8.470 1.00 0.00 H new ATOM 0 HB2 MET A 70 5.190 7.840 -6.118 1.00 0.00 H new ATOM 0 HB3 MET A 70 6.898 8.126 -6.380 1.00 0.00 H new ATOM 0 HG2 MET A 70 6.573 10.344 -7.046 1.00 0.00 H new ATOM 0 HG3 MET A 70 4.909 10.072 -7.522 1.00 0.00 H new ATOM 0 HE1 MET A 70 2.935 10.102 -4.204 1.00 0.00 H new ATOM 0 HE2 MET A 70 2.856 10.309 -5.969 1.00 0.00 H new ATOM 0 HE3 MET A 70 3.390 8.758 -5.278 1.00 0.00 H new ATOM 1015 N GLU A 71 5.821 9.285 -10.012 1.00 0.00 N ATOM 1016 CA GLU A 71 6.430 10.138 -11.025 1.00 0.00 C ATOM 1017 C GLU A 71 6.893 11.459 -10.418 1.00 0.00 C ATOM 1018 O GLU A 71 6.471 11.835 -9.324 1.00 0.00 O ATOM 1019 CB GLU A 71 5.441 10.405 -12.161 1.00 0.00 C ATOM 1020 CG GLU A 71 5.039 9.155 -12.926 1.00 0.00 C ATOM 1021 CD GLU A 71 3.843 9.382 -13.829 1.00 0.00 C ATOM 1022 OE1 GLU A 71 3.809 10.421 -14.520 1.00 0.00 O ATOM 1023 OE2 GLU A 71 2.939 8.520 -13.844 1.00 0.00 O ATOM 0 H GLU A 71 4.801 9.307 -9.999 1.00 0.00 H new ATOM 0 HA GLU A 71 7.300 9.618 -11.425 1.00 0.00 H new ATOM 0 HB2 GLU A 71 4.546 10.872 -11.750 1.00 0.00 H new ATOM 0 HB3 GLU A 71 5.883 11.119 -12.856 1.00 0.00 H new ATOM 0 HG2 GLU A 71 5.883 8.814 -13.526 1.00 0.00 H new ATOM 0 HG3 GLU A 71 4.809 8.359 -12.218 1.00 0.00 H new ATOM 1030 N THR A 72 7.765 12.160 -11.135 1.00 0.00 N ATOM 1031 CA THR A 72 8.287 13.438 -10.668 1.00 0.00 C ATOM 1032 C THR A 72 7.343 14.581 -11.023 1.00 0.00 C ATOM 1033 O THR A 72 7.337 15.067 -12.155 1.00 0.00 O ATOM 1034 CB THR A 72 9.677 13.730 -11.266 1.00 0.00 C ATOM 1035 OG1 THR A 72 9.599 13.754 -12.696 1.00 0.00 O ATOM 1036 CG2 THR A 72 10.687 12.682 -10.825 1.00 0.00 C ATOM 0 H THR A 72 8.125 11.864 -12.042 1.00 0.00 H new ATOM 0 HA THR A 72 8.374 13.366 -9.584 1.00 0.00 H new ATOM 0 HB THR A 72 10.007 14.704 -10.904 1.00 0.00 H new ATOM 0 HG1 THR A 72 8.825 14.288 -12.972 1.00 0.00 H new ATOM 0 HG21 THR A 72 11.660 12.909 -11.260 1.00 0.00 H new ATOM 0 HG22 THR A 72 10.765 12.687 -9.738 1.00 0.00 H new ATOM 0 HG23 THR A 72 10.360 11.698 -11.161 1.00 0.00 H new ATOM 1044 N LYS A 73 6.546 15.008 -10.050 1.00 0.00 N ATOM 1045 CA LYS A 73 5.598 16.096 -10.258 1.00 0.00 C ATOM 1046 C LYS A 73 6.124 17.398 -9.662 1.00 0.00 C ATOM 1047 O LYS A 73 6.431 17.468 -8.471 1.00 0.00 O ATOM 1048 CB LYS A 73 4.245 15.748 -9.635 1.00 0.00 C ATOM 1049 CG LYS A 73 3.083 16.524 -10.231 1.00 0.00 C ATOM 1050 CD LYS A 73 1.841 16.424 -9.360 1.00 0.00 C ATOM 1051 CE LYS A 73 1.881 17.426 -8.216 1.00 0.00 C ATOM 1052 NZ LYS A 73 1.307 18.742 -8.612 1.00 0.00 N ATOM 0 H LYS A 73 6.538 14.617 -9.108 1.00 0.00 H new ATOM 0 HA LYS A 73 5.472 16.233 -11.332 1.00 0.00 H new ATOM 0 HB2 LYS A 73 4.061 14.681 -9.760 1.00 0.00 H new ATOM 0 HB3 LYS A 73 4.288 15.941 -8.563 1.00 0.00 H new ATOM 0 HG2 LYS A 73 3.364 17.571 -10.347 1.00 0.00 H new ATOM 0 HG3 LYS A 73 2.862 16.142 -11.227 1.00 0.00 H new ATOM 0 HD2 LYS A 73 0.954 16.600 -9.968 1.00 0.00 H new ATOM 0 HD3 LYS A 73 1.757 15.414 -8.958 1.00 0.00 H new ATOM 0 HE2 LYS A 73 1.327 17.029 -7.366 1.00 0.00 H new ATOM 0 HE3 LYS A 73 2.912 17.563 -7.889 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 1.352 19.397 -7.806 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 1.851 19.133 -9.407 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 0.316 18.616 -8.900 1.00 0.00 H new ATOM 1066 N LEU A 74 6.225 18.427 -10.496 1.00 0.00 N ATOM 1067 CA LEU A 74 6.713 19.728 -10.050 1.00 0.00 C ATOM 1068 C LEU A 74 6.417 20.805 -11.089 1.00 0.00 C ATOM 1069 O LEU A 74 6.276 20.514 -12.277 1.00 0.00 O ATOM 1070 CB LEU A 74 8.217 19.665 -9.779 1.00 0.00 C ATOM 1071 CG LEU A 74 8.813 20.854 -9.024 1.00 0.00 C ATOM 1072 CD1 LEU A 74 8.680 20.653 -7.522 1.00 0.00 C ATOM 1073 CD2 LEU A 74 10.271 21.054 -9.410 1.00 0.00 C ATOM 0 H LEU A 74 5.976 18.386 -11.484 1.00 0.00 H new ATOM 0 HA LEU A 74 6.194 19.986 -9.127 1.00 0.00 H new ATOM 0 HB2 LEU A 74 8.426 18.758 -9.212 1.00 0.00 H new ATOM 0 HB3 LEU A 74 8.734 19.570 -10.734 1.00 0.00 H new ATOM 0 HG LEU A 74 8.258 21.751 -9.301 1.00 0.00 H new ATOM 0 HD11 LEU A 74 9.109 21.509 -7.001 1.00 0.00 H new ATOM 0 HD12 LEU A 74 7.626 20.560 -7.259 1.00 0.00 H new ATOM 0 HD13 LEU A 74 9.209 19.746 -7.228 1.00 0.00 H new ATOM 0 HD21 LEU A 74 10.679 21.904 -8.863 1.00 0.00 H new ATOM 0 HD22 LEU A 74 10.839 20.157 -9.163 1.00 0.00 H new ATOM 0 HD23 LEU A 74 10.341 21.244 -10.481 1.00 0.00 H new ATOM 1085 N SER A 75 6.326 22.050 -10.633 1.00 0.00 N ATOM 1086 CA SER A 75 6.045 23.171 -11.522 1.00 0.00 C ATOM 1087 C SER A 75 7.338 23.847 -11.969 1.00 0.00 C ATOM 1088 O SER A 75 8.406 23.600 -11.411 1.00 0.00 O ATOM 1089 CB SER A 75 5.140 24.189 -10.824 1.00 0.00 C ATOM 1090 OG SER A 75 4.544 25.069 -11.762 1.00 0.00 O ATOM 0 H SER A 75 6.443 22.308 -9.653 1.00 0.00 H new ATOM 0 HA SER A 75 5.533 22.784 -12.403 1.00 0.00 H new ATOM 0 HB2 SER A 75 4.363 23.667 -10.266 1.00 0.00 H new ATOM 0 HB3 SER A 75 5.721 24.762 -10.101 1.00 0.00 H new ATOM 0 HG SER A 75 3.969 25.708 -11.291 1.00 0.00 H new ATOM 1096 N GLY A 76 7.232 24.702 -12.982 1.00 0.00 N ATOM 1097 CA GLY A 76 8.399 25.400 -13.489 1.00 0.00 C ATOM 1098 C GLY A 76 8.723 26.644 -12.687 1.00 0.00 C ATOM 1099 O GLY A 76 9.467 26.601 -11.707 1.00 0.00 O ATOM 0 H GLY A 76 6.359 24.924 -13.460 1.00 0.00 H new ATOM 0 HA2 GLY A 76 9.257 24.727 -13.473 1.00 0.00 H new ATOM 0 HA3 GLY A 76 8.230 25.676 -14.530 1.00 0.00 H new ATOM 1103 N PRO A 77 8.159 27.787 -13.105 1.00 0.00 N ATOM 1104 CA PRO A 77 8.378 29.071 -12.434 1.00 0.00 C ATOM 1105 C PRO A 77 7.713 29.130 -11.063 1.00 0.00 C ATOM 1106 O PRO A 77 8.345 29.494 -10.071 1.00 0.00 O ATOM 1107 CB PRO A 77 7.735 30.083 -13.384 1.00 0.00 C ATOM 1108 CG PRO A 77 6.706 29.303 -14.129 1.00 0.00 C ATOM 1109 CD PRO A 77 7.261 27.913 -14.266 1.00 0.00 C ATOM 0 HA PRO A 77 9.435 29.256 -12.245 1.00 0.00 H new ATOM 0 HB2 PRO A 77 7.284 30.910 -12.835 1.00 0.00 H new ATOM 0 HB3 PRO A 77 8.472 30.514 -14.061 1.00 0.00 H new ATOM 0 HG2 PRO A 77 5.758 29.294 -13.591 1.00 0.00 H new ATOM 0 HG3 PRO A 77 6.513 29.745 -15.107 1.00 0.00 H new ATOM 0 HD2 PRO A 77 6.472 27.162 -14.247 1.00 0.00 H new ATOM 0 HD3 PRO A 77 7.799 27.786 -15.205 1.00 0.00 H new ATOM 1117 N SER A 78 6.435 28.768 -11.015 1.00 0.00 N ATOM 1118 CA SER A 78 5.683 28.783 -9.765 1.00 0.00 C ATOM 1119 C SER A 78 6.086 29.975 -8.903 1.00 0.00 C ATOM 1120 O SER A 78 6.243 29.852 -7.688 1.00 0.00 O ATOM 1121 CB SER A 78 5.910 27.481 -8.994 1.00 0.00 C ATOM 1122 OG SER A 78 7.281 27.125 -8.987 1.00 0.00 O ATOM 0 H SER A 78 5.899 28.461 -11.826 1.00 0.00 H new ATOM 0 HA SER A 78 4.624 28.874 -10.007 1.00 0.00 H new ATOM 0 HB2 SER A 78 5.555 27.595 -7.970 1.00 0.00 H new ATOM 0 HB3 SER A 78 5.325 26.680 -9.447 1.00 0.00 H new ATOM 0 HG SER A 78 7.815 27.885 -8.674 1.00 0.00 H new ATOM 1128 N SER A 79 6.251 31.130 -9.541 1.00 0.00 N ATOM 1129 CA SER A 79 6.639 32.345 -8.834 1.00 0.00 C ATOM 1130 C SER A 79 5.517 32.822 -7.917 1.00 0.00 C ATOM 1131 O SER A 79 5.758 33.221 -6.779 1.00 0.00 O ATOM 1132 CB SER A 79 7.000 33.447 -9.832 1.00 0.00 C ATOM 1133 OG SER A 79 7.549 34.574 -9.171 1.00 0.00 O ATOM 0 H SER A 79 6.122 31.250 -10.546 1.00 0.00 H new ATOM 0 HA SER A 79 7.512 32.117 -8.223 1.00 0.00 H new ATOM 0 HB2 SER A 79 7.716 33.063 -10.559 1.00 0.00 H new ATOM 0 HB3 SER A 79 6.111 33.745 -10.387 1.00 0.00 H new ATOM 0 HG SER A 79 7.773 35.263 -9.831 1.00 0.00 H new ATOM 1139 N GLY A 80 4.288 32.776 -8.423 1.00 0.00 N ATOM 1140 CA GLY A 80 3.146 33.206 -7.637 1.00 0.00 C ATOM 1141 C GLY A 80 1.916 32.357 -7.888 1.00 0.00 C ATOM 1142 O GLY A 80 2.046 31.141 -8.025 1.00 0.00 O ATOM 0 H GLY A 80 4.063 32.449 -9.363 1.00 0.00 H new ATOM 0 HA2 GLY A 80 3.402 33.165 -6.578 1.00 0.00 H new ATOM 0 HA3 GLY A 80 2.919 34.246 -7.870 1.00 0.00 H new TER 1146 GLY A 80 HETATM 1147 ZN ZN A 201 -8.139 3.366 -4.854 1.00 0.00 ZN HETATM 1148 ZN ZN A 401 6.514 -4.317 0.421 1.00 0.00 ZN