USER MOD reduce.3.24.130724 H: found=0, std=0, add=503, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 500 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 102 HIS HD1 : A 102 HIS ND1 : A 1 ZNZN :(H bumps) USER MOD NoAdj-H: A 140 HIS HD1 : A 140 HIS ND1 : A 2 ZNZN :(H bumps) USER MOD Set 1.1: A 113 THR OG1 : rot 171:sc= -1.66! USER MOD Set 1.2: A 128 GLN : amide:sc= -16! C(o=-18!,f=-15!) USER MOD Set 1.3: A 138 ASN : amide:sc= -0.338 K(o=-18,f=-15) USER MOD Set 2.1: A 107 HIS : no HD1:sc= 0.32 K(o=-0.0059,f=-6.1!) USER MOD Set 2.2: A 109 TYR OH : rot -5:sc= 0.061 USER MOD Set 2.3: A 131 LYS NZ :NH3+ -137:sc= -0.387 (180deg=0) USER MOD Set 3.1: A 108 SER OG : rot -66:sc= 0.449 USER MOD Set 3.2: A 127 HIS : no HD1:sc= -4.13! C(o=-3.7!,f=-6.3!) USER MOD Single : A 94 GLN : amide:sc= -0.431 K(o=-0.43,f=-1.2) USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 100 ASN : amide:sc= -6.92! C(o=-6.9!,f=-8.5!) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 LYS NZ :NH3+ 150:sc= -0.0478 (180deg=-0.373) USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD Single : A 111 SER OG : rot -55:sc= -0.0407! USER MOD Single : A 117 HIS : no HD1:sc= -2.48! K(o=-2.5!,f=-0.8) USER MOD Single : A 120 SER OG : rot 95:sc=-0.00959 USER MOD Single : A 123 TYR OH : rot 180:sc= 0 USER MOD Single : A 130 MET CE :methyl -157:sc= -0.706 (180deg=-1.11) USER MOD Single : A 133 SER OG : rot 66:sc= -1.49! USER MOD Single : A 134 CYS SG : rot 180:sc= 0 USER MOD Single : A 137 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 146 SER OG : rot 180:sc= 0 USER MOD Single : A 149 SER OG : rot 180:sc= 0 USER MOD Single : A 155 HIS : no HD1:sc= -1.06 K(o=-1.1,f=-3.3!) USER MOD Single : A 156 THR OG1 : rot 180:sc= 0.123 USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 94 -17.215 17.914 -5.647 1.00 0.00 N ATOM 2 CA GLN A 94 -17.126 18.696 -6.913 1.00 0.00 C ATOM 3 C GLN A 94 -16.411 17.863 -7.978 1.00 0.00 C ATOM 4 O GLN A 94 -17.033 17.179 -8.765 1.00 0.00 O ATOM 5 CB GLN A 94 -16.342 19.986 -6.662 1.00 0.00 C ATOM 6 CG GLN A 94 -17.201 20.956 -5.849 1.00 0.00 C ATOM 7 CD GLN A 94 -18.347 21.476 -6.720 1.00 0.00 C ATOM 8 OE1 GLN A 94 -19.391 20.860 -6.802 1.00 0.00 O ATOM 9 NE2 GLN A 94 -18.195 22.593 -7.378 1.00 0.00 N ATOM 0 HA GLN A 94 -18.130 18.943 -7.259 1.00 0.00 H new ATOM 0 HB2 GLN A 94 -15.419 19.765 -6.126 1.00 0.00 H new ATOM 0 HB3 GLN A 94 -16.059 20.442 -7.611 1.00 0.00 H new ATOM 0 HG2 GLN A 94 -17.599 20.454 -4.967 1.00 0.00 H new ATOM 0 HG3 GLN A 94 -16.593 21.788 -5.495 1.00 0.00 H new ATOM 0 HE21 GLN A 94 -17.319 23.110 -7.309 1.00 0.00 H new ATOM 0 HE22 GLN A 94 -18.953 22.949 -7.961 1.00 0.00 H new ATOM 20 N THR A 95 -15.107 17.916 -8.009 1.00 0.00 N ATOM 21 CA THR A 95 -14.354 17.127 -9.024 1.00 0.00 C ATOM 22 C THR A 95 -14.451 15.638 -8.688 1.00 0.00 C ATOM 23 O THR A 95 -15.079 15.248 -7.723 1.00 0.00 O ATOM 24 CB THR A 95 -12.885 17.557 -9.017 1.00 0.00 C ATOM 25 OG1 THR A 95 -12.343 17.362 -7.718 1.00 0.00 O ATOM 26 CG2 THR A 95 -12.782 19.035 -9.399 1.00 0.00 C ATOM 0 H THR A 95 -14.531 18.471 -7.376 1.00 0.00 H new ATOM 0 HA THR A 95 -14.780 17.305 -10.011 1.00 0.00 H new ATOM 0 HB THR A 95 -12.327 16.959 -9.737 1.00 0.00 H new ATOM 0 HG1 THR A 95 -11.402 17.635 -7.712 1.00 0.00 H new ATOM 0 HG21 THR A 95 -11.736 19.340 -9.394 1.00 0.00 H new ATOM 0 HG22 THR A 95 -13.198 19.183 -10.396 1.00 0.00 H new ATOM 0 HG23 THR A 95 -13.339 19.636 -8.680 1.00 0.00 H new ATOM 34 N ASP A 96 -13.833 14.801 -9.476 1.00 0.00 N ATOM 35 CA ASP A 96 -13.891 13.337 -9.201 1.00 0.00 C ATOM 36 C ASP A 96 -13.494 13.074 -7.748 1.00 0.00 C ATOM 37 O ASP A 96 -12.450 13.500 -7.293 1.00 0.00 O ATOM 38 CB ASP A 96 -12.924 12.606 -10.135 1.00 0.00 C ATOM 39 CG ASP A 96 -11.487 13.011 -9.801 1.00 0.00 C ATOM 40 OD1 ASP A 96 -11.157 14.168 -10.004 1.00 0.00 O ATOM 41 OD2 ASP A 96 -10.741 12.157 -9.349 1.00 0.00 O ATOM 0 H ASP A 96 -13.291 15.067 -10.298 1.00 0.00 H new ATOM 0 HA ASP A 96 -14.905 12.975 -9.370 1.00 0.00 H new ATOM 0 HB2 ASP A 96 -13.043 11.528 -10.028 1.00 0.00 H new ATOM 0 HB3 ASP A 96 -13.150 12.850 -11.173 1.00 0.00 H new ATOM 46 N ASP A 97 -14.317 12.376 -7.015 1.00 0.00 N ATOM 47 CA ASP A 97 -13.985 12.085 -5.592 1.00 0.00 C ATOM 48 C ASP A 97 -13.258 10.740 -5.502 1.00 0.00 C ATOM 49 O ASP A 97 -13.398 9.903 -6.372 1.00 0.00 O ATOM 50 CB ASP A 97 -15.274 12.025 -4.768 1.00 0.00 C ATOM 51 CG ASP A 97 -16.058 10.765 -5.140 1.00 0.00 C ATOM 52 OD1 ASP A 97 -15.593 9.685 -4.815 1.00 0.00 O ATOM 53 OD2 ASP A 97 -17.111 10.903 -5.741 1.00 0.00 O ATOM 0 H ASP A 97 -15.205 11.994 -7.340 1.00 0.00 H new ATOM 0 HA ASP A 97 -13.341 12.873 -5.201 1.00 0.00 H new ATOM 0 HB2 ASP A 97 -15.038 12.019 -3.704 1.00 0.00 H new ATOM 0 HB3 ASP A 97 -15.880 12.912 -4.955 1.00 0.00 H new ATOM 58 N PRO A 98 -12.499 10.575 -4.449 1.00 0.00 N ATOM 59 CA PRO A 98 -11.728 9.342 -4.209 1.00 0.00 C ATOM 60 C PRO A 98 -12.642 8.234 -3.675 1.00 0.00 C ATOM 61 O PRO A 98 -13.226 8.356 -2.617 1.00 0.00 O ATOM 62 CB PRO A 98 -10.704 9.761 -3.151 1.00 0.00 C ATOM 63 CG PRO A 98 -11.291 11.004 -2.442 1.00 0.00 C ATOM 64 CD PRO A 98 -12.338 11.603 -3.399 1.00 0.00 C ATOM 0 HA PRO A 98 -11.264 8.943 -5.111 1.00 0.00 H new ATOM 0 HB2 PRO A 98 -10.529 8.954 -2.439 1.00 0.00 H new ATOM 0 HB3 PRO A 98 -9.744 9.994 -3.611 1.00 0.00 H new ATOM 0 HG2 PRO A 98 -11.748 10.728 -1.492 1.00 0.00 H new ATOM 0 HG3 PRO A 98 -10.508 11.730 -2.221 1.00 0.00 H new ATOM 0 HD2 PRO A 98 -13.280 11.800 -2.886 1.00 0.00 H new ATOM 0 HD3 PRO A 98 -11.999 12.550 -3.818 1.00 0.00 H new ATOM 72 N ARG A 99 -12.768 7.155 -4.398 1.00 0.00 N ATOM 73 CA ARG A 99 -13.642 6.042 -3.929 1.00 0.00 C ATOM 74 C ARG A 99 -13.103 4.710 -4.453 1.00 0.00 C ATOM 75 O ARG A 99 -13.803 3.718 -4.490 1.00 0.00 O ATOM 76 CB ARG A 99 -15.065 6.254 -4.450 1.00 0.00 C ATOM 77 CG ARG A 99 -15.013 6.792 -5.881 1.00 0.00 C ATOM 78 CD ARG A 99 -15.782 5.849 -6.810 1.00 0.00 C ATOM 79 NE ARG A 99 -17.240 6.144 -6.722 1.00 0.00 N ATOM 80 CZ ARG A 99 -18.091 5.433 -7.408 1.00 0.00 C ATOM 81 NH1 ARG A 99 -17.905 4.149 -7.551 1.00 0.00 N ATOM 82 NH2 ARG A 99 -19.131 6.004 -7.952 1.00 0.00 N ATOM 0 H ARG A 99 -12.304 6.996 -5.292 1.00 0.00 H new ATOM 0 HA ARG A 99 -13.651 6.026 -2.839 1.00 0.00 H new ATOM 0 HB2 ARG A 99 -15.616 5.314 -4.424 1.00 0.00 H new ATOM 0 HB3 ARG A 99 -15.598 6.954 -3.807 1.00 0.00 H new ATOM 0 HG2 ARG A 99 -15.446 7.792 -5.921 1.00 0.00 H new ATOM 0 HG3 ARG A 99 -13.978 6.880 -6.210 1.00 0.00 H new ATOM 0 HD2 ARG A 99 -15.437 5.971 -7.837 1.00 0.00 H new ATOM 0 HD3 ARG A 99 -15.592 4.812 -6.531 1.00 0.00 H new ATOM 0 HE ARG A 99 -17.572 6.902 -6.125 1.00 0.00 H new ATOM 0 HH11 ARG A 99 -17.093 3.701 -7.126 1.00 0.00 H new ATOM 0 HH12 ARG A 99 -18.571 3.594 -8.088 1.00 0.00 H new ATOM 0 HH21 ARG A 99 -19.279 7.007 -7.841 1.00 0.00 H new ATOM 0 HH22 ARG A 99 -19.796 5.447 -8.488 1.00 0.00 H new ATOM 96 N ASN A 100 -11.863 4.677 -4.858 1.00 0.00 N ATOM 97 CA ASN A 100 -11.284 3.406 -5.377 1.00 0.00 C ATOM 98 C ASN A 100 -9.764 3.538 -5.474 1.00 0.00 C ATOM 99 O ASN A 100 -9.189 3.441 -6.540 1.00 0.00 O ATOM 100 CB ASN A 100 -11.860 3.114 -6.765 1.00 0.00 C ATOM 101 CG ASN A 100 -13.173 2.342 -6.620 1.00 0.00 C ATOM 102 OD1 ASN A 100 -14.239 2.924 -6.646 1.00 0.00 O ATOM 103 ND2 ASN A 100 -13.141 1.046 -6.469 1.00 0.00 N ATOM 0 H ASN A 100 -11.227 5.474 -4.852 1.00 0.00 H new ATOM 0 HA ASN A 100 -11.534 2.590 -4.699 1.00 0.00 H new ATOM 0 HB2 ASN A 100 -12.031 4.046 -7.303 1.00 0.00 H new ATOM 0 HB3 ASN A 100 -11.148 2.534 -7.352 1.00 0.00 H new ATOM 0 HD21 ASN A 100 -14.011 0.522 -6.373 1.00 0.00 H new ATOM 0 HD22 ASN A 100 -12.246 0.557 -6.447 1.00 0.00 H new ATOM 110 N LYS A 101 -9.106 3.757 -4.367 1.00 0.00 N ATOM 111 CA LYS A 101 -7.623 3.893 -4.397 1.00 0.00 C ATOM 112 C LYS A 101 -7.039 3.388 -3.075 1.00 0.00 C ATOM 113 O LYS A 101 -7.703 3.375 -2.058 1.00 0.00 O ATOM 114 CB LYS A 101 -7.248 5.365 -4.589 1.00 0.00 C ATOM 115 CG LYS A 101 -8.150 5.985 -5.659 1.00 0.00 C ATOM 116 CD LYS A 101 -7.550 7.312 -6.127 1.00 0.00 C ATOM 117 CE LYS A 101 -7.481 8.285 -4.949 1.00 0.00 C ATOM 118 NZ LYS A 101 -6.129 8.909 -4.899 1.00 0.00 N ATOM 0 H LYS A 101 -9.532 3.847 -3.445 1.00 0.00 H new ATOM 0 HA LYS A 101 -7.221 3.305 -5.222 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -7.357 5.905 -3.648 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -6.203 5.449 -4.886 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -8.253 5.303 -6.503 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -9.150 6.148 -5.257 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -6.553 7.148 -6.536 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -8.157 7.736 -6.927 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -8.245 9.055 -5.054 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -7.685 7.759 -4.016 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -6.081 9.571 -4.098 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -5.409 8.168 -4.779 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -5.951 9.424 -5.785 1.00 0.00 H new ATOM 132 N HIS A 102 -5.801 2.973 -3.083 1.00 0.00 N ATOM 133 CA HIS A 102 -5.178 2.470 -1.826 1.00 0.00 C ATOM 134 C HIS A 102 -4.823 3.650 -0.921 1.00 0.00 C ATOM 135 O HIS A 102 -4.595 4.752 -1.381 1.00 0.00 O ATOM 136 CB HIS A 102 -3.896 1.705 -2.158 1.00 0.00 C ATOM 137 CG HIS A 102 -4.200 0.572 -3.095 1.00 0.00 C ATOM 138 ND1 HIS A 102 -4.543 -0.691 -2.640 1.00 0.00 N ATOM 139 CD2 HIS A 102 -4.202 0.492 -4.465 1.00 0.00 C ATOM 140 CE1 HIS A 102 -4.733 -1.472 -3.719 1.00 0.00 C ATOM 141 NE2 HIS A 102 -4.538 -0.799 -4.857 1.00 0.00 N ATOM 0 H HIS A 102 -5.196 2.961 -3.904 1.00 0.00 H new ATOM 0 HA HIS A 102 -5.883 1.811 -1.319 1.00 0.00 H new ATOM 0 HB2 HIS A 102 -3.169 2.378 -2.612 1.00 0.00 H new ATOM 0 HB3 HIS A 102 -3.446 1.320 -1.243 1.00 0.00 H new ATOM 0 HD2 HIS A 102 -3.977 1.308 -5.136 1.00 0.00 H new ATOM 0 HE1 HIS A 102 -5.009 -2.515 -3.671 1.00 0.00 H new ATOM 0 HE2 HIS A 102 -4.618 -1.156 -5.809 1.00 0.00 H new ATOM 148 N LYS A 103 -4.755 3.424 0.362 1.00 0.00 N ATOM 149 CA LYS A 103 -4.392 4.527 1.293 1.00 0.00 C ATOM 150 C LYS A 103 -2.884 4.476 1.543 1.00 0.00 C ATOM 151 O LYS A 103 -2.423 4.577 2.663 1.00 0.00 O ATOM 152 CB LYS A 103 -5.140 4.351 2.616 1.00 0.00 C ATOM 153 CG LYS A 103 -6.490 5.069 2.538 1.00 0.00 C ATOM 154 CD LYS A 103 -7.501 4.355 3.437 1.00 0.00 C ATOM 155 CE LYS A 103 -7.880 5.268 4.605 1.00 0.00 C ATOM 156 NZ LYS A 103 -8.619 6.455 4.091 1.00 0.00 N ATOM 0 H LYS A 103 -4.935 2.523 0.805 1.00 0.00 H new ATOM 0 HA LYS A 103 -4.666 5.488 0.858 1.00 0.00 H new ATOM 0 HB2 LYS A 103 -5.291 3.291 2.823 1.00 0.00 H new ATOM 0 HB3 LYS A 103 -4.548 4.755 3.437 1.00 0.00 H new ATOM 0 HG2 LYS A 103 -6.380 6.108 2.850 1.00 0.00 H new ATOM 0 HG3 LYS A 103 -6.848 5.082 1.509 1.00 0.00 H new ATOM 0 HD2 LYS A 103 -8.390 4.091 2.864 1.00 0.00 H new ATOM 0 HD3 LYS A 103 -7.076 3.424 3.812 1.00 0.00 H new ATOM 0 HE2 LYS A 103 -8.497 4.724 5.320 1.00 0.00 H new ATOM 0 HE3 LYS A 103 -6.983 5.587 5.136 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 -9.288 6.787 4.814 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 -7.944 7.214 3.869 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 -9.141 6.193 3.231 1.00 0.00 H new ATOM 170 N PHE A 104 -2.115 4.306 0.499 1.00 0.00 N ATOM 171 CA PHE A 104 -0.634 4.231 0.652 1.00 0.00 C ATOM 172 C PHE A 104 -0.160 5.257 1.683 1.00 0.00 C ATOM 173 O PHE A 104 -0.554 6.405 1.661 1.00 0.00 O ATOM 174 CB PHE A 104 0.031 4.523 -0.695 1.00 0.00 C ATOM 175 CG PHE A 104 -0.185 3.357 -1.631 1.00 0.00 C ATOM 176 CD1 PHE A 104 0.328 2.094 -1.307 1.00 0.00 C ATOM 177 CD2 PHE A 104 -0.895 3.540 -2.825 1.00 0.00 C ATOM 178 CE1 PHE A 104 0.130 1.014 -2.177 1.00 0.00 C ATOM 179 CE2 PHE A 104 -1.093 2.460 -3.694 1.00 0.00 C ATOM 180 CZ PHE A 104 -0.581 1.196 -3.371 1.00 0.00 C ATOM 0 H PHE A 104 -2.453 4.215 -0.459 1.00 0.00 H new ATOM 0 HA PHE A 104 -0.361 3.232 0.991 1.00 0.00 H new ATOM 0 HB2 PHE A 104 -0.386 5.432 -1.128 1.00 0.00 H new ATOM 0 HB3 PHE A 104 1.098 4.697 -0.555 1.00 0.00 H new ATOM 0 HD1 PHE A 104 0.876 1.953 -0.387 1.00 0.00 H new ATOM 0 HD2 PHE A 104 -1.289 4.514 -3.075 1.00 0.00 H new ATOM 0 HE1 PHE A 104 0.526 0.040 -1.927 1.00 0.00 H new ATOM 0 HE2 PHE A 104 -1.641 2.601 -4.614 1.00 0.00 H new ATOM 0 HZ PHE A 104 -0.734 0.363 -4.041 1.00 0.00 H new ATOM 190 N ARG A 105 0.691 4.848 2.583 1.00 0.00 N ATOM 191 CA ARG A 105 1.201 5.791 3.615 1.00 0.00 C ATOM 192 C ARG A 105 2.612 5.368 4.022 1.00 0.00 C ATOM 193 O ARG A 105 2.811 4.327 4.615 1.00 0.00 O ATOM 194 CB ARG A 105 0.281 5.759 4.836 1.00 0.00 C ATOM 195 CG ARG A 105 -0.816 6.811 4.673 1.00 0.00 C ATOM 196 CD ARG A 105 -1.230 7.336 6.049 1.00 0.00 C ATOM 197 NE ARG A 105 -1.714 6.203 6.887 1.00 0.00 N ATOM 198 CZ ARG A 105 -2.300 6.440 8.028 1.00 0.00 C ATOM 199 NH1 ARG A 105 -3.492 6.971 8.052 1.00 0.00 N ATOM 200 NH2 ARG A 105 -1.694 6.147 9.146 1.00 0.00 N ATOM 0 H ARG A 105 1.056 3.898 2.647 1.00 0.00 H new ATOM 0 HA ARG A 105 1.224 6.803 3.211 1.00 0.00 H new ATOM 0 HB2 ARG A 105 -0.162 4.769 4.945 1.00 0.00 H new ATOM 0 HB3 ARG A 105 0.854 5.953 5.742 1.00 0.00 H new ATOM 0 HG2 ARG A 105 -0.458 7.632 4.052 1.00 0.00 H new ATOM 0 HG3 ARG A 105 -1.677 6.378 4.163 1.00 0.00 H new ATOM 0 HD2 ARG A 105 -0.385 7.825 6.533 1.00 0.00 H new ATOM 0 HD3 ARG A 105 -2.014 8.085 5.943 1.00 0.00 H new ATOM 0 HE ARG A 105 -1.587 5.242 6.569 1.00 0.00 H new ATOM 0 HH11 ARG A 105 -3.966 7.201 7.178 1.00 0.00 H new ATOM 0 HH12 ARG A 105 -3.950 7.156 8.944 1.00 0.00 H new ATOM 0 HH21 ARG A 105 -0.762 5.733 9.128 1.00 0.00 H new ATOM 0 HH22 ARG A 105 -2.152 6.332 10.038 1.00 0.00 H new ATOM 214 N LEU A 106 3.596 6.165 3.707 1.00 0.00 N ATOM 215 CA LEU A 106 4.990 5.801 4.073 1.00 0.00 C ATOM 216 C LEU A 106 5.067 5.519 5.575 1.00 0.00 C ATOM 217 O LEU A 106 4.660 6.322 6.390 1.00 0.00 O ATOM 218 CB LEU A 106 5.929 6.956 3.711 1.00 0.00 C ATOM 219 CG LEU A 106 5.757 8.096 4.713 1.00 0.00 C ATOM 220 CD1 LEU A 106 6.664 9.263 4.319 1.00 0.00 C ATOM 221 CD2 LEU A 106 4.301 8.562 4.713 1.00 0.00 C ATOM 0 H LEU A 106 3.493 7.051 3.213 1.00 0.00 H new ATOM 0 HA LEU A 106 5.291 4.908 3.526 1.00 0.00 H new ATOM 0 HB2 LEU A 106 6.963 6.611 3.713 1.00 0.00 H new ATOM 0 HB3 LEU A 106 5.713 7.310 2.703 1.00 0.00 H new ATOM 0 HG LEU A 106 6.026 7.745 5.709 1.00 0.00 H new ATOM 0 HD11 LEU A 106 6.541 10.077 5.034 1.00 0.00 H new ATOM 0 HD12 LEU A 106 7.703 8.933 4.320 1.00 0.00 H new ATOM 0 HD13 LEU A 106 6.395 9.612 3.322 1.00 0.00 H new ATOM 0 HD21 LEU A 106 4.179 9.375 5.428 1.00 0.00 H new ATOM 0 HD22 LEU A 106 4.031 8.912 3.717 1.00 0.00 H new ATOM 0 HD23 LEU A 106 3.653 7.732 4.994 1.00 0.00 H new ATOM 233 N HIS A 107 5.583 4.381 5.943 1.00 0.00 N ATOM 234 CA HIS A 107 5.686 4.041 7.390 1.00 0.00 C ATOM 235 C HIS A 107 7.156 4.062 7.812 1.00 0.00 C ATOM 236 O HIS A 107 8.030 4.367 7.026 1.00 0.00 O ATOM 237 CB HIS A 107 5.103 2.648 7.632 1.00 0.00 C ATOM 238 CG HIS A 107 3.696 2.777 8.146 1.00 0.00 C ATOM 239 ND1 HIS A 107 3.104 1.803 8.936 1.00 0.00 N ATOM 240 CD2 HIS A 107 2.751 3.762 7.996 1.00 0.00 C ATOM 241 CE1 HIS A 107 1.859 2.218 9.228 1.00 0.00 C ATOM 242 NE2 HIS A 107 1.592 3.408 8.680 1.00 0.00 N ATOM 0 H HIS A 107 5.939 3.670 5.304 1.00 0.00 H new ATOM 0 HA HIS A 107 5.128 4.771 7.976 1.00 0.00 H new ATOM 0 HB2 HIS A 107 5.112 2.072 6.707 1.00 0.00 H new ATOM 0 HB3 HIS A 107 5.716 2.105 8.351 1.00 0.00 H new ATOM 0 HD2 HIS A 107 2.887 4.673 7.433 1.00 0.00 H new ATOM 0 HE1 HIS A 107 1.160 1.658 9.832 1.00 0.00 H new ATOM 0 HE2 HIS A 107 0.725 3.941 8.749 1.00 0.00 H new ATOM 250 N SER A 108 7.435 3.747 9.045 1.00 0.00 N ATOM 251 CA SER A 108 8.852 3.757 9.509 1.00 0.00 C ATOM 252 C SER A 108 9.128 2.529 10.379 1.00 0.00 C ATOM 253 O SER A 108 8.779 2.488 11.543 1.00 0.00 O ATOM 254 CB SER A 108 9.113 5.026 10.321 1.00 0.00 C ATOM 255 OG SER A 108 8.551 6.142 9.643 1.00 0.00 O ATOM 0 H SER A 108 6.747 3.484 9.750 1.00 0.00 H new ATOM 0 HA SER A 108 9.511 3.734 8.641 1.00 0.00 H new ATOM 0 HB2 SER A 108 8.676 4.932 11.315 1.00 0.00 H new ATOM 0 HB3 SER A 108 10.185 5.171 10.457 1.00 0.00 H new ATOM 0 HG SER A 108 9.033 6.291 8.802 1.00 0.00 H new ATOM 261 N TYR A 109 9.763 1.530 9.826 1.00 0.00 N ATOM 262 CA TYR A 109 10.075 0.309 10.621 1.00 0.00 C ATOM 263 C TYR A 109 11.589 0.214 10.818 1.00 0.00 C ATOM 264 O TYR A 109 12.325 1.129 10.503 1.00 0.00 O ATOM 265 CB TYR A 109 9.594 -0.937 9.873 1.00 0.00 C ATOM 266 CG TYR A 109 8.231 -0.689 9.274 1.00 0.00 C ATOM 267 CD1 TYR A 109 7.214 -0.119 10.052 1.00 0.00 C ATOM 268 CD2 TYR A 109 7.981 -1.039 7.940 1.00 0.00 C ATOM 269 CE1 TYR A 109 5.948 0.102 9.493 1.00 0.00 C ATOM 270 CE2 TYR A 109 6.715 -0.818 7.383 1.00 0.00 C ATOM 271 CZ TYR A 109 5.698 -0.248 8.159 1.00 0.00 C ATOM 272 OH TYR A 109 4.451 -0.032 7.610 1.00 0.00 O ATOM 0 H TYR A 109 10.079 1.508 8.856 1.00 0.00 H new ATOM 0 HA TYR A 109 9.572 0.370 11.586 1.00 0.00 H new ATOM 0 HB2 TYR A 109 10.304 -1.195 9.087 1.00 0.00 H new ATOM 0 HB3 TYR A 109 9.551 -1.786 10.555 1.00 0.00 H new ATOM 0 HD1 TYR A 109 7.406 0.149 11.080 1.00 0.00 H new ATOM 0 HD2 TYR A 109 8.765 -1.479 7.341 1.00 0.00 H new ATOM 0 HE1 TYR A 109 5.164 0.543 10.091 1.00 0.00 H new ATOM 0 HE2 TYR A 109 6.523 -1.087 6.355 1.00 0.00 H new ATOM 0 HH TYR A 109 3.840 0.294 8.304 1.00 0.00 H new ATOM 282 N SER A 110 12.060 -0.891 11.326 1.00 0.00 N ATOM 283 CA SER A 110 13.527 -1.048 11.531 1.00 0.00 C ATOM 284 C SER A 110 14.202 -1.284 10.177 1.00 0.00 C ATOM 285 O SER A 110 15.413 -1.299 10.068 1.00 0.00 O ATOM 286 CB SER A 110 13.786 -2.245 12.446 1.00 0.00 C ATOM 287 OG SER A 110 13.306 -1.950 13.751 1.00 0.00 O ATOM 0 H SER A 110 11.493 -1.691 11.608 1.00 0.00 H new ATOM 0 HA SER A 110 13.933 -0.147 11.990 1.00 0.00 H new ATOM 0 HB2 SER A 110 13.287 -3.132 12.054 1.00 0.00 H new ATOM 0 HB3 SER A 110 14.852 -2.468 12.480 1.00 0.00 H new ATOM 0 HG SER A 110 13.469 -2.716 14.340 1.00 0.00 H new ATOM 293 N SER A 111 13.425 -1.468 9.143 1.00 0.00 N ATOM 294 CA SER A 111 14.011 -1.704 7.794 1.00 0.00 C ATOM 295 C SER A 111 12.890 -1.649 6.751 1.00 0.00 C ATOM 296 O SER A 111 11.727 -1.682 7.098 1.00 0.00 O ATOM 297 CB SER A 111 14.675 -3.081 7.762 1.00 0.00 C ATOM 298 OG SER A 111 15.147 -3.404 9.063 1.00 0.00 O ATOM 0 H SER A 111 12.406 -1.465 9.176 1.00 0.00 H new ATOM 0 HA SER A 111 14.757 -0.941 7.574 1.00 0.00 H new ATOM 0 HB2 SER A 111 13.963 -3.833 7.424 1.00 0.00 H new ATOM 0 HB3 SER A 111 15.502 -3.083 7.052 1.00 0.00 H new ATOM 0 HG SER A 111 15.736 -2.690 9.384 1.00 0.00 H new ATOM 304 N PRO A 112 13.273 -1.568 5.504 1.00 0.00 N ATOM 305 CA PRO A 112 12.315 -1.508 4.388 1.00 0.00 C ATOM 306 C PRO A 112 11.738 -2.897 4.104 1.00 0.00 C ATOM 307 O PRO A 112 12.418 -3.899 4.217 1.00 0.00 O ATOM 308 CB PRO A 112 13.161 -1.005 3.215 1.00 0.00 C ATOM 309 CG PRO A 112 14.632 -1.335 3.561 1.00 0.00 C ATOM 310 CD PRO A 112 14.691 -1.532 5.089 1.00 0.00 C ATOM 0 HA PRO A 112 11.458 -0.865 4.589 1.00 0.00 H new ATOM 0 HB2 PRO A 112 12.863 -1.490 2.286 1.00 0.00 H new ATOM 0 HB3 PRO A 112 13.027 0.067 3.072 1.00 0.00 H new ATOM 0 HG2 PRO A 112 14.960 -2.235 3.041 1.00 0.00 H new ATOM 0 HG3 PRO A 112 15.294 -0.528 3.248 1.00 0.00 H new ATOM 0 HD2 PRO A 112 15.207 -2.456 5.352 1.00 0.00 H new ATOM 0 HD3 PRO A 112 15.228 -0.718 5.575 1.00 0.00 H new ATOM 318 N THR A 113 10.486 -2.965 3.740 1.00 0.00 N ATOM 319 CA THR A 113 9.861 -4.286 3.454 1.00 0.00 C ATOM 320 C THR A 113 10.051 -4.630 1.977 1.00 0.00 C ATOM 321 O THR A 113 10.515 -3.824 1.196 1.00 0.00 O ATOM 322 CB THR A 113 8.364 -4.216 3.774 1.00 0.00 C ATOM 323 OG1 THR A 113 8.150 -3.280 4.820 1.00 0.00 O ATOM 324 CG2 THR A 113 7.867 -5.594 4.211 1.00 0.00 C ATOM 0 H THR A 113 9.869 -2.161 3.628 1.00 0.00 H new ATOM 0 HA THR A 113 10.331 -5.054 4.068 1.00 0.00 H new ATOM 0 HB THR A 113 7.817 -3.902 2.885 1.00 0.00 H new ATOM 0 HG1 THR A 113 7.188 -3.125 4.928 1.00 0.00 H new ATOM 0 HG21 THR A 113 6.802 -5.542 4.438 1.00 0.00 H new ATOM 0 HG22 THR A 113 8.032 -6.312 3.408 1.00 0.00 H new ATOM 0 HG23 THR A 113 8.412 -5.912 5.100 1.00 0.00 H new ATOM 332 N PHE A 114 9.699 -5.824 1.588 1.00 0.00 N ATOM 333 CA PHE A 114 9.863 -6.221 0.162 1.00 0.00 C ATOM 334 C PHE A 114 8.712 -5.648 -0.665 1.00 0.00 C ATOM 335 O PHE A 114 7.559 -5.737 -0.289 1.00 0.00 O ATOM 336 CB PHE A 114 9.854 -7.747 0.053 1.00 0.00 C ATOM 337 CG PHE A 114 11.114 -8.306 0.672 1.00 0.00 C ATOM 338 CD1 PHE A 114 11.296 -8.254 2.060 1.00 0.00 C ATOM 339 CD2 PHE A 114 12.100 -8.878 -0.143 1.00 0.00 C ATOM 340 CE1 PHE A 114 12.465 -8.772 2.633 1.00 0.00 C ATOM 341 CE2 PHE A 114 13.269 -9.397 0.430 1.00 0.00 C ATOM 342 CZ PHE A 114 13.451 -9.345 1.818 1.00 0.00 C ATOM 0 H PHE A 114 9.305 -6.542 2.196 1.00 0.00 H new ATOM 0 HA PHE A 114 10.810 -5.833 -0.214 1.00 0.00 H new ATOM 0 HB2 PHE A 114 8.977 -8.153 0.558 1.00 0.00 H new ATOM 0 HB3 PHE A 114 9.786 -8.047 -0.993 1.00 0.00 H new ATOM 0 HD1 PHE A 114 10.535 -7.815 2.688 1.00 0.00 H new ATOM 0 HD2 PHE A 114 11.959 -8.919 -1.213 1.00 0.00 H new ATOM 0 HE1 PHE A 114 12.606 -8.730 3.703 1.00 0.00 H new ATOM 0 HE2 PHE A 114 14.029 -9.837 -0.198 1.00 0.00 H new ATOM 0 HZ PHE A 114 14.351 -9.746 2.260 1.00 0.00 H new ATOM 352 N CYS A 115 9.014 -5.061 -1.789 1.00 0.00 N ATOM 353 CA CYS A 115 7.938 -4.484 -2.642 1.00 0.00 C ATOM 354 C CYS A 115 7.022 -5.610 -3.127 1.00 0.00 C ATOM 355 O CYS A 115 7.466 -6.699 -3.432 1.00 0.00 O ATOM 356 CB CYS A 115 8.572 -3.769 -3.836 1.00 0.00 C ATOM 357 SG CYS A 115 7.284 -3.135 -4.934 1.00 0.00 S ATOM 0 H CYS A 115 9.961 -4.956 -2.154 1.00 0.00 H new ATOM 0 HA CYS A 115 7.350 -3.768 -2.068 1.00 0.00 H new ATOM 0 HB2 CYS A 115 9.200 -2.949 -3.488 1.00 0.00 H new ATOM 0 HB3 CYS A 115 9.219 -4.457 -4.380 1.00 0.00 H new ATOM 362 N ASP A 116 5.745 -5.358 -3.182 1.00 0.00 N ATOM 363 CA ASP A 116 4.789 -6.418 -3.626 1.00 0.00 C ATOM 364 C ASP A 116 4.506 -6.283 -5.124 1.00 0.00 C ATOM 365 O ASP A 116 4.010 -7.194 -5.755 1.00 0.00 O ATOM 366 CB ASP A 116 3.479 -6.279 -2.848 1.00 0.00 C ATOM 367 CG ASP A 116 2.867 -4.904 -3.117 1.00 0.00 C ATOM 368 OD1 ASP A 116 2.784 -4.531 -4.276 1.00 0.00 O ATOM 369 OD2 ASP A 116 2.489 -4.247 -2.161 1.00 0.00 O ATOM 0 H ASP A 116 5.318 -4.464 -2.939 1.00 0.00 H new ATOM 0 HA ASP A 116 5.231 -7.396 -3.435 1.00 0.00 H new ATOM 0 HB2 ASP A 116 2.783 -7.063 -3.146 1.00 0.00 H new ATOM 0 HB3 ASP A 116 3.663 -6.404 -1.781 1.00 0.00 H new ATOM 374 N HIS A 117 4.812 -5.154 -5.697 1.00 0.00 N ATOM 375 CA HIS A 117 4.552 -4.964 -7.151 1.00 0.00 C ATOM 376 C HIS A 117 5.767 -5.435 -7.955 1.00 0.00 C ATOM 377 O HIS A 117 5.653 -5.796 -9.110 1.00 0.00 O ATOM 378 CB HIS A 117 4.296 -3.482 -7.432 1.00 0.00 C ATOM 379 CG HIS A 117 4.017 -3.289 -8.898 1.00 0.00 C ATOM 380 ND1 HIS A 117 2.728 -3.226 -9.402 1.00 0.00 N ATOM 381 CD2 HIS A 117 4.851 -3.143 -9.979 1.00 0.00 C ATOM 382 CE1 HIS A 117 2.822 -3.049 -10.733 1.00 0.00 C ATOM 383 NE2 HIS A 117 4.094 -2.991 -11.136 1.00 0.00 N ATOM 0 H HIS A 117 5.231 -4.354 -5.222 1.00 0.00 H new ATOM 0 HA HIS A 117 3.678 -5.546 -7.443 1.00 0.00 H new ATOM 0 HB2 HIS A 117 3.451 -3.130 -6.841 1.00 0.00 H new ATOM 0 HB3 HIS A 117 5.162 -2.890 -7.135 1.00 0.00 H new ATOM 0 HD2 HIS A 117 5.930 -3.146 -9.937 1.00 0.00 H new ATOM 0 HE1 HIS A 117 1.972 -2.964 -11.394 1.00 0.00 H new ATOM 0 HE2 HIS A 117 4.437 -2.863 -12.088 1.00 0.00 H new ATOM 391 N CYS A 118 6.930 -5.440 -7.360 1.00 0.00 N ATOM 392 CA CYS A 118 8.138 -5.895 -8.104 1.00 0.00 C ATOM 393 C CYS A 118 8.886 -6.949 -7.280 1.00 0.00 C ATOM 394 O CYS A 118 9.869 -7.511 -7.722 1.00 0.00 O ATOM 395 CB CYS A 118 9.058 -4.702 -8.370 1.00 0.00 C ATOM 396 SG CYS A 118 9.531 -3.941 -6.800 1.00 0.00 S ATOM 0 H CYS A 118 7.094 -5.150 -6.396 1.00 0.00 H new ATOM 0 HA CYS A 118 7.831 -6.333 -9.054 1.00 0.00 H new ATOM 0 HB2 CYS A 118 9.947 -5.028 -8.910 1.00 0.00 H new ATOM 0 HB3 CYS A 118 8.551 -3.972 -9.002 1.00 0.00 H new ATOM 401 N GLY A 119 8.428 -7.226 -6.088 1.00 0.00 N ATOM 402 CA GLY A 119 9.113 -8.247 -5.245 1.00 0.00 C ATOM 403 C GLY A 119 10.585 -7.869 -5.068 1.00 0.00 C ATOM 404 O GLY A 119 11.474 -8.649 -5.346 1.00 0.00 O ATOM 0 H GLY A 119 7.610 -6.790 -5.663 1.00 0.00 H new ATOM 0 HA2 GLY A 119 8.626 -8.315 -4.272 1.00 0.00 H new ATOM 0 HA3 GLY A 119 9.034 -9.229 -5.711 1.00 0.00 H new ATOM 408 N SER A 120 10.849 -6.679 -4.605 1.00 0.00 N ATOM 409 CA SER A 120 12.264 -6.253 -4.408 1.00 0.00 C ATOM 410 C SER A 120 12.364 -5.366 -3.165 1.00 0.00 C ATOM 411 O SER A 120 11.697 -4.356 -3.057 1.00 0.00 O ATOM 412 CB SER A 120 12.736 -5.468 -5.632 1.00 0.00 C ATOM 413 OG SER A 120 12.319 -6.143 -6.812 1.00 0.00 O ATOM 0 H SER A 120 10.147 -5.983 -4.354 1.00 0.00 H new ATOM 0 HA SER A 120 12.892 -7.134 -4.276 1.00 0.00 H new ATOM 0 HB2 SER A 120 12.325 -4.459 -5.612 1.00 0.00 H new ATOM 0 HB3 SER A 120 13.822 -5.370 -5.619 1.00 0.00 H new ATOM 0 HG SER A 120 11.469 -5.765 -7.122 1.00 0.00 H new ATOM 419 N LEU A 121 13.193 -5.733 -2.224 1.00 0.00 N ATOM 420 CA LEU A 121 13.334 -4.909 -0.990 1.00 0.00 C ATOM 421 C LEU A 121 13.396 -3.428 -1.362 1.00 0.00 C ATOM 422 O LEU A 121 14.141 -3.026 -2.233 1.00 0.00 O ATOM 423 CB LEU A 121 14.615 -5.300 -0.251 1.00 0.00 C ATOM 424 CG LEU A 121 14.303 -6.404 0.758 1.00 0.00 C ATOM 425 CD1 LEU A 121 15.583 -7.178 1.080 1.00 0.00 C ATOM 426 CD2 LEU A 121 13.752 -5.775 2.042 1.00 0.00 C ATOM 0 H LEU A 121 13.778 -6.568 -2.257 1.00 0.00 H new ATOM 0 HA LEU A 121 12.474 -5.085 -0.344 1.00 0.00 H new ATOM 0 HB2 LEU A 121 15.367 -5.643 -0.961 1.00 0.00 H new ATOM 0 HB3 LEU A 121 15.032 -4.432 0.260 1.00 0.00 H new ATOM 0 HG LEU A 121 13.563 -7.085 0.337 1.00 0.00 H new ATOM 0 HD11 LEU A 121 15.361 -7.966 1.800 1.00 0.00 H new ATOM 0 HD12 LEU A 121 15.979 -7.622 0.167 1.00 0.00 H new ATOM 0 HD13 LEU A 121 16.323 -6.498 1.503 1.00 0.00 H new ATOM 0 HD21 LEU A 121 13.528 -6.560 2.765 1.00 0.00 H new ATOM 0 HD22 LEU A 121 14.494 -5.096 2.462 1.00 0.00 H new ATOM 0 HD23 LEU A 121 12.841 -5.221 1.814 1.00 0.00 H new ATOM 438 N LEU A 122 12.616 -2.615 -0.706 1.00 0.00 N ATOM 439 CA LEU A 122 12.629 -1.157 -1.016 1.00 0.00 C ATOM 440 C LEU A 122 14.009 -0.580 -0.694 1.00 0.00 C ATOM 441 O LEU A 122 14.253 -0.101 0.395 1.00 0.00 O ATOM 442 CB LEU A 122 11.566 -0.446 -0.174 1.00 0.00 C ATOM 443 CG LEU A 122 10.215 -1.138 -0.365 1.00 0.00 C ATOM 444 CD1 LEU A 122 9.380 -0.989 0.907 1.00 0.00 C ATOM 445 CD2 LEU A 122 9.473 -0.494 -1.539 1.00 0.00 C ATOM 0 H LEU A 122 11.970 -2.896 0.031 1.00 0.00 H new ATOM 0 HA LEU A 122 12.412 -1.008 -2.074 1.00 0.00 H new ATOM 0 HB2 LEU A 122 11.849 -0.463 0.878 1.00 0.00 H new ATOM 0 HB3 LEU A 122 11.495 0.601 -0.468 1.00 0.00 H new ATOM 0 HG LEU A 122 10.376 -2.196 -0.572 1.00 0.00 H new ATOM 0 HD11 LEU A 122 8.418 -1.482 0.770 1.00 0.00 H new ATOM 0 HD12 LEU A 122 9.907 -1.447 1.744 1.00 0.00 H new ATOM 0 HD13 LEU A 122 9.219 0.069 1.115 1.00 0.00 H new ATOM 0 HD21 LEU A 122 8.510 -0.987 -1.675 1.00 0.00 H new ATOM 0 HD22 LEU A 122 9.313 0.564 -1.332 1.00 0.00 H new ATOM 0 HD23 LEU A 122 10.067 -0.600 -2.447 1.00 0.00 H new ATOM 457 N TYR A 123 14.914 -0.624 -1.634 1.00 0.00 N ATOM 458 CA TYR A 123 16.279 -0.080 -1.381 1.00 0.00 C ATOM 459 C TYR A 123 16.169 1.338 -0.816 1.00 0.00 C ATOM 460 O TYR A 123 15.087 1.851 -0.609 1.00 0.00 O ATOM 461 CB TYR A 123 17.066 -0.047 -2.694 1.00 0.00 C ATOM 462 CG TYR A 123 17.253 -1.456 -3.205 1.00 0.00 C ATOM 463 CD1 TYR A 123 18.148 -2.322 -2.563 1.00 0.00 C ATOM 464 CD2 TYR A 123 16.533 -1.895 -4.324 1.00 0.00 C ATOM 465 CE1 TYR A 123 18.321 -3.628 -3.039 1.00 0.00 C ATOM 466 CE2 TYR A 123 16.706 -3.202 -4.800 1.00 0.00 C ATOM 467 CZ TYR A 123 17.601 -4.069 -4.158 1.00 0.00 C ATOM 468 OH TYR A 123 17.773 -5.355 -4.627 1.00 0.00 O ATOM 0 H TYR A 123 14.767 -1.013 -2.566 1.00 0.00 H new ATOM 0 HA TYR A 123 16.796 -0.717 -0.663 1.00 0.00 H new ATOM 0 HB2 TYR A 123 16.535 0.552 -3.434 1.00 0.00 H new ATOM 0 HB3 TYR A 123 18.035 0.426 -2.537 1.00 0.00 H new ATOM 0 HD1 TYR A 123 18.704 -1.983 -1.702 1.00 0.00 H new ATOM 0 HD2 TYR A 123 15.845 -1.226 -4.820 1.00 0.00 H new ATOM 0 HE1 TYR A 123 19.010 -4.296 -2.543 1.00 0.00 H new ATOM 0 HE2 TYR A 123 16.150 -3.541 -5.661 1.00 0.00 H new ATOM 0 HH TYR A 123 17.198 -5.498 -5.408 1.00 0.00 H new ATOM 478 N GLY A 124 17.280 1.975 -0.566 1.00 0.00 N ATOM 479 CA GLY A 124 17.239 3.360 -0.016 1.00 0.00 C ATOM 480 C GLY A 124 16.387 4.246 -0.924 1.00 0.00 C ATOM 481 O GLY A 124 16.882 4.863 -1.847 1.00 0.00 O ATOM 0 H GLY A 124 18.215 1.596 -0.719 1.00 0.00 H new ATOM 0 HA2 GLY A 124 16.825 3.350 0.992 1.00 0.00 H new ATOM 0 HA3 GLY A 124 18.249 3.763 0.059 1.00 0.00 H new ATOM 485 N LEU A 125 15.108 4.314 -0.675 1.00 0.00 N ATOM 486 CA LEU A 125 14.227 5.159 -1.528 1.00 0.00 C ATOM 487 C LEU A 125 13.207 5.885 -0.649 1.00 0.00 C ATOM 488 O LEU A 125 12.887 7.036 -0.873 1.00 0.00 O ATOM 489 CB LEU A 125 13.494 4.273 -2.537 1.00 0.00 C ATOM 490 CG LEU A 125 14.510 3.636 -3.487 1.00 0.00 C ATOM 491 CD1 LEU A 125 13.846 2.490 -4.252 1.00 0.00 C ATOM 492 CD2 LEU A 125 15.009 4.689 -4.478 1.00 0.00 C ATOM 0 H LEU A 125 14.635 3.821 0.082 1.00 0.00 H new ATOM 0 HA LEU A 125 14.832 5.893 -2.061 1.00 0.00 H new ATOM 0 HB2 LEU A 125 12.932 3.498 -2.016 1.00 0.00 H new ATOM 0 HB3 LEU A 125 12.774 4.865 -3.101 1.00 0.00 H new ATOM 0 HG LEU A 125 15.351 3.249 -2.913 1.00 0.00 H new ATOM 0 HD11 LEU A 125 14.570 2.037 -4.929 1.00 0.00 H new ATOM 0 HD12 LEU A 125 13.490 1.740 -3.546 1.00 0.00 H new ATOM 0 HD13 LEU A 125 13.004 2.876 -4.827 1.00 0.00 H new ATOM 0 HD21 LEU A 125 15.733 4.237 -5.156 1.00 0.00 H new ATOM 0 HD22 LEU A 125 14.167 5.076 -5.052 1.00 0.00 H new ATOM 0 HD23 LEU A 125 15.483 5.506 -3.933 1.00 0.00 H new ATOM 504 N VAL A 126 12.693 5.223 0.351 1.00 0.00 N ATOM 505 CA VAL A 126 11.696 5.877 1.242 1.00 0.00 C ATOM 506 C VAL A 126 12.059 5.600 2.702 1.00 0.00 C ATOM 507 O VAL A 126 12.786 4.674 3.004 1.00 0.00 O ATOM 508 CB VAL A 126 10.303 5.313 0.953 1.00 0.00 C ATOM 509 CG1 VAL A 126 9.952 5.542 -0.519 1.00 0.00 C ATOM 510 CG2 VAL A 126 10.293 3.811 1.249 1.00 0.00 C ATOM 0 H VAL A 126 12.921 4.258 0.589 1.00 0.00 H new ATOM 0 HA VAL A 126 11.699 6.952 1.061 1.00 0.00 H new ATOM 0 HB VAL A 126 9.570 5.816 1.583 1.00 0.00 H new ATOM 0 HG11 VAL A 126 8.960 5.140 -0.723 1.00 0.00 H new ATOM 0 HG12 VAL A 126 9.962 6.611 -0.733 1.00 0.00 H new ATOM 0 HG13 VAL A 126 10.684 5.039 -1.150 1.00 0.00 H new ATOM 0 HG21 VAL A 126 9.302 3.406 1.044 1.00 0.00 H new ATOM 0 HG22 VAL A 126 11.027 3.311 0.617 1.00 0.00 H new ATOM 0 HG23 VAL A 126 10.543 3.645 2.297 1.00 0.00 H new ATOM 520 N HIS A 127 11.558 6.392 3.610 1.00 0.00 N ATOM 521 CA HIS A 127 11.873 6.168 5.049 1.00 0.00 C ATOM 522 C HIS A 127 11.768 4.674 5.361 1.00 0.00 C ATOM 523 O HIS A 127 12.409 4.170 6.263 1.00 0.00 O ATOM 524 CB HIS A 127 10.876 6.942 5.915 1.00 0.00 C ATOM 525 CG HIS A 127 11.294 6.865 7.357 1.00 0.00 C ATOM 526 ND1 HIS A 127 10.513 7.378 8.381 1.00 0.00 N ATOM 527 CD2 HIS A 127 12.407 6.336 7.963 1.00 0.00 C ATOM 528 CE1 HIS A 127 11.160 7.150 9.539 1.00 0.00 C ATOM 529 NE2 HIS A 127 12.321 6.517 9.340 1.00 0.00 N ATOM 0 H HIS A 127 10.945 7.184 3.418 1.00 0.00 H new ATOM 0 HA HIS A 127 12.884 6.516 5.262 1.00 0.00 H new ATOM 0 HB2 HIS A 127 10.831 7.983 5.594 1.00 0.00 H new ATOM 0 HB3 HIS A 127 9.875 6.528 5.793 1.00 0.00 H new ATOM 0 HD2 HIS A 127 13.225 5.853 7.449 1.00 0.00 H new ATOM 0 HE1 HIS A 127 10.787 7.442 10.510 1.00 0.00 H new ATOM 0 HE2 HIS A 127 12.998 6.229 10.046 1.00 0.00 H new ATOM 537 N GLN A 128 10.965 3.960 4.618 1.00 0.00 N ATOM 538 CA GLN A 128 10.816 2.499 4.864 1.00 0.00 C ATOM 539 C GLN A 128 10.067 1.861 3.691 1.00 0.00 C ATOM 540 O GLN A 128 10.620 1.088 2.936 1.00 0.00 O ATOM 541 CB GLN A 128 10.028 2.277 6.157 1.00 0.00 C ATOM 542 CG GLN A 128 9.751 0.783 6.339 1.00 0.00 C ATOM 543 CD GLN A 128 8.488 0.400 5.568 1.00 0.00 C ATOM 544 OE1 GLN A 128 7.584 1.199 5.420 1.00 0.00 O ATOM 545 NE2 GLN A 128 8.384 -0.801 5.068 1.00 0.00 N ATOM 0 H GLN A 128 10.405 4.328 3.849 1.00 0.00 H new ATOM 0 HA GLN A 128 11.801 2.042 4.958 1.00 0.00 H new ATOM 0 HB2 GLN A 128 10.591 2.659 7.008 1.00 0.00 H new ATOM 0 HB3 GLN A 128 9.089 2.830 6.122 1.00 0.00 H new ATOM 0 HG2 GLN A 128 10.599 0.199 5.981 1.00 0.00 H new ATOM 0 HG3 GLN A 128 9.628 0.552 7.397 1.00 0.00 H new ATOM 0 HE21 GLN A 128 9.142 -1.472 5.192 1.00 0.00 H new ATOM 0 HE22 GLN A 128 7.545 -1.068 4.554 1.00 0.00 H new ATOM 554 N GLY A 129 8.811 2.183 3.533 1.00 0.00 N ATOM 555 CA GLY A 129 8.026 1.599 2.408 1.00 0.00 C ATOM 556 C GLY A 129 6.613 2.187 2.415 1.00 0.00 C ATOM 557 O GLY A 129 6.150 2.701 3.414 1.00 0.00 O ATOM 0 H GLY A 129 8.295 2.825 4.135 1.00 0.00 H new ATOM 0 HA2 GLY A 129 8.516 1.813 1.458 1.00 0.00 H new ATOM 0 HA3 GLY A 129 7.981 0.514 2.506 1.00 0.00 H new ATOM 561 N MET A 130 5.923 2.117 1.308 1.00 0.00 N ATOM 562 CA MET A 130 4.541 2.674 1.260 1.00 0.00 C ATOM 563 C MET A 130 3.545 1.586 1.661 1.00 0.00 C ATOM 564 O MET A 130 3.274 0.673 0.907 1.00 0.00 O ATOM 565 CB MET A 130 4.226 3.151 -0.160 1.00 0.00 C ATOM 566 CG MET A 130 5.478 3.768 -0.787 1.00 0.00 C ATOM 567 SD MET A 130 5.100 5.442 -1.363 1.00 0.00 S ATOM 568 CE MET A 130 5.727 6.327 0.086 1.00 0.00 C ATOM 0 H MET A 130 6.255 1.700 0.438 1.00 0.00 H new ATOM 0 HA MET A 130 4.465 3.516 1.949 1.00 0.00 H new ATOM 0 HB2 MET A 130 3.879 2.314 -0.766 1.00 0.00 H new ATOM 0 HB3 MET A 130 3.420 3.884 -0.137 1.00 0.00 H new ATOM 0 HG2 MET A 130 6.287 3.797 -0.057 1.00 0.00 H new ATOM 0 HG3 MET A 130 5.821 3.154 -1.620 1.00 0.00 H new ATOM 0 HE1 MET A 130 5.250 7.305 0.149 1.00 0.00 H new ATOM 0 HE2 MET A 130 5.503 5.755 0.987 1.00 0.00 H new ATOM 0 HE3 MET A 130 6.806 6.455 -0.004 1.00 0.00 H new ATOM 578 N LYS A 131 3.000 1.674 2.842 1.00 0.00 N ATOM 579 CA LYS A 131 2.028 0.638 3.290 1.00 0.00 C ATOM 580 C LYS A 131 0.601 1.129 3.059 1.00 0.00 C ATOM 581 O LYS A 131 0.223 2.204 3.484 1.00 0.00 O ATOM 582 CB LYS A 131 2.231 0.358 4.776 1.00 0.00 C ATOM 583 CG LYS A 131 1.509 -0.937 5.156 1.00 0.00 C ATOM 584 CD LYS A 131 0.196 -0.600 5.864 1.00 0.00 C ATOM 585 CE LYS A 131 0.230 -1.152 7.290 1.00 0.00 C ATOM 586 NZ LYS A 131 -0.037 -0.050 8.256 1.00 0.00 N ATOM 0 H LYS A 131 3.185 2.417 3.516 1.00 0.00 H new ATOM 0 HA LYS A 131 2.191 -0.275 2.718 1.00 0.00 H new ATOM 0 HB2 LYS A 131 3.295 0.272 4.999 1.00 0.00 H new ATOM 0 HB3 LYS A 131 1.847 1.188 5.369 1.00 0.00 H new ATOM 0 HG2 LYS A 131 1.311 -1.531 4.264 1.00 0.00 H new ATOM 0 HG3 LYS A 131 2.141 -1.541 5.807 1.00 0.00 H new ATOM 0 HD2 LYS A 131 0.048 0.480 5.884 1.00 0.00 H new ATOM 0 HD3 LYS A 131 -0.645 -1.027 5.317 1.00 0.00 H new ATOM 0 HE2 LYS A 131 -0.516 -1.939 7.405 1.00 0.00 H new ATOM 0 HE3 LYS A 131 1.202 -1.601 7.494 1.00 0.00 H new ATOM 0 HZ1 LYS A 131 0.618 -0.127 9.060 1.00 0.00 H new ATOM 0 HZ2 LYS A 131 0.100 0.866 7.784 1.00 0.00 H new ATOM 0 HZ3 LYS A 131 -1.016 -0.119 8.600 1.00 0.00 H new ATOM 600 N CYS A 132 -0.199 0.343 2.399 1.00 0.00 N ATOM 601 CA CYS A 132 -1.607 0.755 2.148 1.00 0.00 C ATOM 602 C CYS A 132 -2.376 0.719 3.468 1.00 0.00 C ATOM 603 O CYS A 132 -2.414 -0.288 4.148 1.00 0.00 O ATOM 604 CB CYS A 132 -2.251 -0.207 1.146 1.00 0.00 C ATOM 605 SG CYS A 132 -4.001 0.207 0.940 1.00 0.00 S ATOM 0 H CYS A 132 0.061 -0.568 2.022 1.00 0.00 H new ATOM 0 HA CYS A 132 -1.631 1.764 1.737 1.00 0.00 H new ATOM 0 HB2 CYS A 132 -1.737 -0.145 0.187 1.00 0.00 H new ATOM 0 HB3 CYS A 132 -2.149 -1.234 1.496 1.00 0.00 H new ATOM 610 N SER A 133 -2.985 1.810 3.841 1.00 0.00 N ATOM 611 CA SER A 133 -3.746 1.839 5.124 1.00 0.00 C ATOM 612 C SER A 133 -5.170 1.323 4.897 1.00 0.00 C ATOM 613 O SER A 133 -6.091 1.695 5.597 1.00 0.00 O ATOM 614 CB SER A 133 -3.800 3.275 5.646 1.00 0.00 C ATOM 615 OG SER A 133 -5.044 3.862 5.284 1.00 0.00 O ATOM 0 H SER A 133 -2.989 2.683 3.314 1.00 0.00 H new ATOM 0 HA SER A 133 -3.248 1.201 5.854 1.00 0.00 H new ATOM 0 HB2 SER A 133 -3.682 3.285 6.730 1.00 0.00 H new ATOM 0 HB3 SER A 133 -2.976 3.856 5.231 1.00 0.00 H new ATOM 0 HG SER A 133 -5.771 3.403 5.753 1.00 0.00 H new ATOM 621 N CYS A 134 -5.360 0.469 3.928 1.00 0.00 N ATOM 622 CA CYS A 134 -6.724 -0.066 3.662 1.00 0.00 C ATOM 623 C CYS A 134 -6.652 -1.581 3.443 1.00 0.00 C ATOM 624 O CYS A 134 -7.566 -2.306 3.781 1.00 0.00 O ATOM 625 CB CYS A 134 -7.298 0.602 2.411 1.00 0.00 C ATOM 626 SG CYS A 134 -9.090 0.355 2.363 1.00 0.00 S ATOM 0 H CYS A 134 -4.628 0.119 3.309 1.00 0.00 H new ATOM 0 HA CYS A 134 -7.367 0.145 4.517 1.00 0.00 H new ATOM 0 HB2 CYS A 134 -7.067 1.667 2.416 1.00 0.00 H new ATOM 0 HB3 CYS A 134 -6.838 0.180 1.517 1.00 0.00 H new ATOM 0 HG CYS A 134 -9.578 0.924 1.301 1.00 0.00 H new ATOM 632 N CYS A 135 -5.579 -2.068 2.878 1.00 0.00 N ATOM 633 CA CYS A 135 -5.468 -3.535 2.640 1.00 0.00 C ATOM 634 C CYS A 135 -4.077 -4.032 3.049 1.00 0.00 C ATOM 635 O CYS A 135 -3.731 -5.175 2.827 1.00 0.00 O ATOM 636 CB CYS A 135 -5.698 -3.827 1.154 1.00 0.00 C ATOM 637 SG CYS A 135 -4.271 -3.264 0.191 1.00 0.00 S ATOM 0 H CYS A 135 -4.778 -1.515 2.572 1.00 0.00 H new ATOM 0 HA CYS A 135 -6.219 -4.051 3.238 1.00 0.00 H new ATOM 0 HB2 CYS A 135 -5.851 -4.896 1.003 1.00 0.00 H new ATOM 0 HB3 CYS A 135 -6.602 -3.324 0.811 1.00 0.00 H new ATOM 642 N GLU A 136 -3.272 -3.185 3.635 1.00 0.00 N ATOM 643 CA GLU A 136 -1.906 -3.620 4.044 1.00 0.00 C ATOM 644 C GLU A 136 -1.121 -4.025 2.799 1.00 0.00 C ATOM 645 O GLU A 136 -0.957 -5.193 2.506 1.00 0.00 O ATOM 646 CB GLU A 136 -2.005 -4.812 4.999 1.00 0.00 C ATOM 647 CG GLU A 136 -2.339 -4.315 6.406 1.00 0.00 C ATOM 648 CD GLU A 136 -3.678 -4.903 6.851 1.00 0.00 C ATOM 649 OE1 GLU A 136 -4.401 -5.392 5.999 1.00 0.00 O ATOM 650 OE2 GLU A 136 -3.960 -4.854 8.037 1.00 0.00 O ATOM 0 H GLU A 136 -3.501 -2.214 3.847 1.00 0.00 H new ATOM 0 HA GLU A 136 -1.398 -2.800 4.552 1.00 0.00 H new ATOM 0 HB2 GLU A 136 -2.774 -5.504 4.655 1.00 0.00 H new ATOM 0 HB3 GLU A 136 -1.064 -5.361 5.010 1.00 0.00 H new ATOM 0 HG2 GLU A 136 -1.553 -4.607 7.102 1.00 0.00 H new ATOM 0 HG3 GLU A 136 -2.387 -3.226 6.417 1.00 0.00 H new ATOM 657 N MET A 137 -0.641 -3.066 2.059 1.00 0.00 N ATOM 658 CA MET A 137 0.127 -3.387 0.823 1.00 0.00 C ATOM 659 C MET A 137 1.399 -2.539 0.775 1.00 0.00 C ATOM 660 O MET A 137 1.351 -1.339 0.587 1.00 0.00 O ATOM 661 CB MET A 137 -0.736 -3.078 -0.402 1.00 0.00 C ATOM 662 CG MET A 137 -0.360 -4.018 -1.548 1.00 0.00 C ATOM 663 SD MET A 137 -1.844 -4.862 -2.148 1.00 0.00 S ATOM 664 CE MET A 137 -1.319 -5.055 -3.869 1.00 0.00 C ATOM 0 H MET A 137 -0.747 -2.071 2.257 1.00 0.00 H new ATOM 0 HA MET A 137 0.396 -4.443 0.826 1.00 0.00 H new ATOM 0 HB2 MET A 137 -1.791 -3.195 -0.154 1.00 0.00 H new ATOM 0 HB3 MET A 137 -0.593 -2.041 -0.707 1.00 0.00 H new ATOM 0 HG2 MET A 137 0.103 -3.454 -2.358 1.00 0.00 H new ATOM 0 HG3 MET A 137 0.374 -4.748 -1.208 1.00 0.00 H new ATOM 0 HE1 MET A 137 -2.101 -5.563 -4.433 1.00 0.00 H new ATOM 0 HE2 MET A 137 -1.136 -4.073 -4.306 1.00 0.00 H new ATOM 0 HE3 MET A 137 -0.403 -5.645 -3.906 1.00 0.00 H new ATOM 674 N ASN A 138 2.540 -3.150 0.939 1.00 0.00 N ATOM 675 CA ASN A 138 3.812 -2.377 0.898 1.00 0.00 C ATOM 676 C ASN A 138 4.326 -2.328 -0.542 1.00 0.00 C ATOM 677 O ASN A 138 4.424 -3.339 -1.209 1.00 0.00 O ATOM 678 CB ASN A 138 4.852 -3.057 1.790 1.00 0.00 C ATOM 679 CG ASN A 138 4.595 -2.685 3.251 1.00 0.00 C ATOM 680 OD1 ASN A 138 5.404 -2.023 3.873 1.00 0.00 O ATOM 681 ND2 ASN A 138 3.497 -3.085 3.830 1.00 0.00 N ATOM 0 H ASN A 138 2.646 -4.152 1.100 1.00 0.00 H new ATOM 0 HA ASN A 138 3.636 -1.363 1.258 1.00 0.00 H new ATOM 0 HB2 ASN A 138 4.802 -4.139 1.665 1.00 0.00 H new ATOM 0 HB3 ASN A 138 5.855 -2.749 1.497 1.00 0.00 H new ATOM 0 HD21 ASN A 138 3.317 -2.843 4.804 1.00 0.00 H new ATOM 0 HD22 ASN A 138 2.819 -3.640 3.309 1.00 0.00 H new ATOM 688 N VAL A 139 4.650 -1.163 -1.031 1.00 0.00 N ATOM 689 CA VAL A 139 5.150 -1.058 -2.430 1.00 0.00 C ATOM 690 C VAL A 139 6.222 0.031 -2.516 1.00 0.00 C ATOM 691 O VAL A 139 6.561 0.661 -1.535 1.00 0.00 O ATOM 692 CB VAL A 139 3.989 -0.702 -3.359 1.00 0.00 C ATOM 693 CG1 VAL A 139 3.215 -1.972 -3.721 1.00 0.00 C ATOM 694 CG2 VAL A 139 3.053 0.278 -2.648 1.00 0.00 C ATOM 0 H VAL A 139 4.590 -0.281 -0.523 1.00 0.00 H new ATOM 0 HA VAL A 139 5.581 -2.013 -2.731 1.00 0.00 H new ATOM 0 HB VAL A 139 4.378 -0.243 -4.268 1.00 0.00 H new ATOM 0 HG11 VAL A 139 2.388 -1.717 -4.383 1.00 0.00 H new ATOM 0 HG12 VAL A 139 3.881 -2.673 -4.225 1.00 0.00 H new ATOM 0 HG13 VAL A 139 2.825 -2.432 -2.813 1.00 0.00 H new ATOM 0 HG21 VAL A 139 2.224 0.534 -3.308 1.00 0.00 H new ATOM 0 HG22 VAL A 139 2.665 -0.183 -1.740 1.00 0.00 H new ATOM 0 HG23 VAL A 139 3.603 1.183 -2.389 1.00 0.00 H new ATOM 704 N HIS A 140 6.757 0.254 -3.687 1.00 0.00 N ATOM 705 CA HIS A 140 7.806 1.300 -3.842 1.00 0.00 C ATOM 706 C HIS A 140 7.144 2.673 -3.965 1.00 0.00 C ATOM 707 O HIS A 140 5.959 2.825 -3.745 1.00 0.00 O ATOM 708 CB HIS A 140 8.624 1.017 -5.103 1.00 0.00 C ATOM 709 CG HIS A 140 9.701 0.017 -4.789 1.00 0.00 C ATOM 710 ND1 HIS A 140 9.676 -1.276 -5.289 1.00 0.00 N ATOM 711 CD2 HIS A 140 10.840 0.102 -4.028 1.00 0.00 C ATOM 712 CE1 HIS A 140 10.769 -1.910 -4.826 1.00 0.00 C ATOM 713 NE2 HIS A 140 11.513 -1.115 -4.054 1.00 0.00 N ATOM 0 H HIS A 140 6.512 -0.244 -4.543 1.00 0.00 H new ATOM 0 HA HIS A 140 8.461 1.289 -2.971 1.00 0.00 H new ATOM 0 HB2 HIS A 140 7.976 0.634 -5.891 1.00 0.00 H new ATOM 0 HB3 HIS A 140 9.068 1.940 -5.476 1.00 0.00 H new ATOM 0 HD2 HIS A 140 11.165 0.981 -3.490 1.00 0.00 H new ATOM 0 HE1 HIS A 140 11.014 -2.937 -5.052 1.00 0.00 H new ATOM 0 HE2 HIS A 140 12.387 -1.350 -3.584 1.00 0.00 H new ATOM 720 N ARG A 141 7.901 3.674 -4.321 1.00 0.00 N ATOM 721 CA ARG A 141 7.316 5.036 -4.463 1.00 0.00 C ATOM 722 C ARG A 141 6.873 5.248 -5.912 1.00 0.00 C ATOM 723 O ARG A 141 5.909 5.937 -6.182 1.00 0.00 O ATOM 724 CB ARG A 141 8.368 6.084 -4.093 1.00 0.00 C ATOM 725 CG ARG A 141 8.064 6.642 -2.701 1.00 0.00 C ATOM 726 CD ARG A 141 6.843 7.559 -2.775 1.00 0.00 C ATOM 727 NE ARG A 141 7.130 8.694 -3.697 1.00 0.00 N ATOM 728 CZ ARG A 141 7.272 9.900 -3.221 1.00 0.00 C ATOM 729 NH1 ARG A 141 8.195 10.145 -2.332 1.00 0.00 N ATOM 730 NH2 ARG A 141 6.492 10.861 -3.634 1.00 0.00 N ATOM 0 H ARG A 141 8.899 3.607 -4.520 1.00 0.00 H new ATOM 0 HA ARG A 141 6.457 5.135 -3.800 1.00 0.00 H new ATOM 0 HB2 ARG A 141 9.362 5.638 -4.109 1.00 0.00 H new ATOM 0 HB3 ARG A 141 8.368 6.890 -4.827 1.00 0.00 H new ATOM 0 HG2 ARG A 141 7.877 5.826 -2.003 1.00 0.00 H new ATOM 0 HG3 ARG A 141 8.924 7.194 -2.323 1.00 0.00 H new ATOM 0 HD2 ARG A 141 5.976 7.000 -3.128 1.00 0.00 H new ATOM 0 HD3 ARG A 141 6.597 7.936 -1.782 1.00 0.00 H new ATOM 0 HE ARG A 141 7.215 8.528 -4.700 1.00 0.00 H new ATOM 0 HH11 ARG A 141 8.805 9.394 -2.010 1.00 0.00 H new ATOM 0 HH12 ARG A 141 8.307 11.088 -1.959 1.00 0.00 H new ATOM 0 HH21 ARG A 141 5.771 10.669 -4.329 1.00 0.00 H new ATOM 0 HH22 ARG A 141 6.603 11.804 -3.261 1.00 0.00 H new ATOM 744 N ARG A 142 7.570 4.660 -6.845 1.00 0.00 N ATOM 745 CA ARG A 142 7.189 4.825 -8.276 1.00 0.00 C ATOM 746 C ARG A 142 6.458 3.571 -8.759 1.00 0.00 C ATOM 747 O ARG A 142 6.096 3.459 -9.914 1.00 0.00 O ATOM 748 CB ARG A 142 8.449 5.038 -9.117 1.00 0.00 C ATOM 749 CG ARG A 142 9.284 3.754 -9.122 1.00 0.00 C ATOM 750 CD ARG A 142 10.330 3.830 -10.236 1.00 0.00 C ATOM 751 NE ARG A 142 9.813 3.138 -11.450 1.00 0.00 N ATOM 752 CZ ARG A 142 10.008 3.659 -12.632 1.00 0.00 C ATOM 753 NH1 ARG A 142 11.098 3.385 -13.294 1.00 0.00 N ATOM 754 NH2 ARG A 142 9.112 4.455 -13.149 1.00 0.00 N ATOM 0 H ARG A 142 8.387 4.072 -6.678 1.00 0.00 H new ATOM 0 HA ARG A 142 6.532 5.689 -8.380 1.00 0.00 H new ATOM 0 HB2 ARG A 142 8.177 5.311 -10.136 1.00 0.00 H new ATOM 0 HB3 ARG A 142 9.034 5.863 -8.712 1.00 0.00 H new ATOM 0 HG2 ARG A 142 9.774 3.622 -8.157 1.00 0.00 H new ATOM 0 HG3 ARG A 142 8.639 2.889 -9.273 1.00 0.00 H new ATOM 0 HD2 ARG A 142 10.557 4.871 -10.466 1.00 0.00 H new ATOM 0 HD3 ARG A 142 11.260 3.366 -9.908 1.00 0.00 H new ATOM 0 HE ARG A 142 9.307 2.257 -11.358 1.00 0.00 H new ATOM 0 HH11 ARG A 142 11.798 2.764 -12.889 1.00 0.00 H new ATOM 0 HH12 ARG A 142 11.250 3.792 -14.217 1.00 0.00 H new ATOM 0 HH21 ARG A 142 8.260 4.670 -12.630 1.00 0.00 H new ATOM 0 HH22 ARG A 142 9.263 4.862 -14.072 1.00 0.00 H new ATOM 768 N CYS A 143 6.233 2.626 -7.886 1.00 0.00 N ATOM 769 CA CYS A 143 5.523 1.384 -8.301 1.00 0.00 C ATOM 770 C CYS A 143 4.018 1.574 -8.108 1.00 0.00 C ATOM 771 O CYS A 143 3.215 0.828 -8.632 1.00 0.00 O ATOM 772 CB CYS A 143 6.001 0.211 -7.442 1.00 0.00 C ATOM 773 SG CYS A 143 7.541 -0.449 -8.125 1.00 0.00 S ATOM 0 H CYS A 143 6.510 2.661 -6.905 1.00 0.00 H new ATOM 0 HA CYS A 143 5.735 1.176 -9.350 1.00 0.00 H new ATOM 0 HB2 CYS A 143 6.158 0.539 -6.414 1.00 0.00 H new ATOM 0 HB3 CYS A 143 5.239 -0.568 -7.415 1.00 0.00 H new ATOM 778 N VAL A 144 3.629 2.571 -7.361 1.00 0.00 N ATOM 779 CA VAL A 144 2.178 2.811 -7.134 1.00 0.00 C ATOM 780 C VAL A 144 1.540 3.319 -8.429 1.00 0.00 C ATOM 781 O VAL A 144 0.359 3.146 -8.659 1.00 0.00 O ATOM 782 CB VAL A 144 2.000 3.859 -6.034 1.00 0.00 C ATOM 783 CG1 VAL A 144 0.533 3.909 -5.608 1.00 0.00 C ATOM 784 CG2 VAL A 144 2.869 3.486 -4.830 1.00 0.00 C ATOM 0 H VAL A 144 4.255 3.230 -6.898 1.00 0.00 H new ATOM 0 HA VAL A 144 1.698 1.881 -6.830 1.00 0.00 H new ATOM 0 HB VAL A 144 2.301 4.836 -6.411 1.00 0.00 H new ATOM 0 HG11 VAL A 144 0.407 4.656 -4.824 1.00 0.00 H new ATOM 0 HG12 VAL A 144 -0.086 4.174 -6.465 1.00 0.00 H new ATOM 0 HG13 VAL A 144 0.230 2.932 -5.230 1.00 0.00 H new ATOM 0 HG21 VAL A 144 2.743 4.232 -4.045 1.00 0.00 H new ATOM 0 HG22 VAL A 144 2.568 2.509 -4.453 1.00 0.00 H new ATOM 0 HG23 VAL A 144 3.915 3.451 -5.133 1.00 0.00 H new ATOM 794 N ARG A 145 2.311 3.944 -9.275 1.00 0.00 N ATOM 795 CA ARG A 145 1.749 4.463 -10.554 1.00 0.00 C ATOM 796 C ARG A 145 1.360 3.290 -11.455 1.00 0.00 C ATOM 797 O ARG A 145 0.670 3.456 -12.442 1.00 0.00 O ATOM 798 CB ARG A 145 2.800 5.323 -11.260 1.00 0.00 C ATOM 799 CG ARG A 145 2.137 6.585 -11.815 1.00 0.00 C ATOM 800 CD ARG A 145 2.856 7.019 -13.094 1.00 0.00 C ATOM 801 NE ARG A 145 2.192 6.396 -14.274 1.00 0.00 N ATOM 802 CZ ARG A 145 1.380 7.101 -15.013 1.00 0.00 C ATOM 803 NH1 ARG A 145 0.413 7.779 -14.459 1.00 0.00 N ATOM 804 NH2 ARG A 145 1.535 7.126 -16.309 1.00 0.00 N ATOM 0 H ARG A 145 3.306 4.118 -9.136 1.00 0.00 H new ATOM 0 HA ARG A 145 0.866 5.067 -10.344 1.00 0.00 H new ATOM 0 HB2 ARG A 145 3.593 5.593 -10.562 1.00 0.00 H new ATOM 0 HB3 ARG A 145 3.265 4.758 -12.068 1.00 0.00 H new ATOM 0 HG2 ARG A 145 1.084 6.394 -12.024 1.00 0.00 H new ATOM 0 HG3 ARG A 145 2.175 7.384 -11.075 1.00 0.00 H new ATOM 0 HD2 ARG A 145 2.837 8.105 -13.184 1.00 0.00 H new ATOM 0 HD3 ARG A 145 3.904 6.721 -13.054 1.00 0.00 H new ATOM 0 HE ARG A 145 2.372 5.419 -14.504 1.00 0.00 H new ATOM 0 HH11 ARG A 145 0.291 7.759 -13.447 1.00 0.00 H new ATOM 0 HH12 ARG A 145 -0.221 8.330 -15.038 1.00 0.00 H new ATOM 0 HH21 ARG A 145 2.290 6.595 -16.743 1.00 0.00 H new ATOM 0 HH22 ARG A 145 0.901 7.677 -16.888 1.00 0.00 H new ATOM 818 N SER A 146 1.793 2.104 -11.124 1.00 0.00 N ATOM 819 CA SER A 146 1.444 0.922 -11.962 1.00 0.00 C ATOM 820 C SER A 146 0.168 0.275 -11.421 1.00 0.00 C ATOM 821 O SER A 146 -0.515 -0.452 -12.115 1.00 0.00 O ATOM 822 CB SER A 146 2.588 -0.091 -11.918 1.00 0.00 C ATOM 823 OG SER A 146 3.826 0.591 -12.069 1.00 0.00 O ATOM 0 H SER A 146 2.373 1.903 -10.310 1.00 0.00 H new ATOM 0 HA SER A 146 1.282 1.241 -12.992 1.00 0.00 H new ATOM 0 HB2 SER A 146 2.572 -0.634 -10.973 1.00 0.00 H new ATOM 0 HB3 SER A 146 2.467 -0.828 -12.712 1.00 0.00 H new ATOM 0 HG SER A 146 4.562 -0.056 -12.039 1.00 0.00 H new ATOM 829 N VAL A 147 -0.161 0.536 -10.185 1.00 0.00 N ATOM 830 CA VAL A 147 -1.393 -0.062 -9.597 1.00 0.00 C ATOM 831 C VAL A 147 -2.627 0.585 -10.238 1.00 0.00 C ATOM 832 O VAL A 147 -2.640 1.774 -10.486 1.00 0.00 O ATOM 833 CB VAL A 147 -1.407 0.196 -8.089 1.00 0.00 C ATOM 834 CG1 VAL A 147 -2.482 -0.667 -7.428 1.00 0.00 C ATOM 835 CG2 VAL A 147 -0.038 -0.158 -7.500 1.00 0.00 C ATOM 0 H VAL A 147 0.371 1.138 -9.557 1.00 0.00 H new ATOM 0 HA VAL A 147 -1.407 -1.136 -9.784 1.00 0.00 H new ATOM 0 HB VAL A 147 -1.625 1.248 -7.905 1.00 0.00 H new ATOM 0 HG11 VAL A 147 -2.489 -0.480 -6.354 1.00 0.00 H new ATOM 0 HG12 VAL A 147 -3.457 -0.417 -7.846 1.00 0.00 H new ATOM 0 HG13 VAL A 147 -2.267 -1.720 -7.612 1.00 0.00 H new ATOM 0 HG21 VAL A 147 -0.046 0.025 -6.426 1.00 0.00 H new ATOM 0 HG22 VAL A 147 0.178 -1.210 -7.687 1.00 0.00 H new ATOM 0 HG23 VAL A 147 0.730 0.459 -7.968 1.00 0.00 H new ATOM 845 N PRO A 148 -3.633 -0.220 -10.486 1.00 0.00 N ATOM 846 CA PRO A 148 -4.890 0.248 -11.098 1.00 0.00 C ATOM 847 C PRO A 148 -5.780 0.935 -10.054 1.00 0.00 C ATOM 848 O PRO A 148 -6.936 1.215 -10.302 1.00 0.00 O ATOM 849 CB PRO A 148 -5.542 -1.042 -11.603 1.00 0.00 C ATOM 850 CG PRO A 148 -4.931 -2.195 -10.773 1.00 0.00 C ATOM 851 CD PRO A 148 -3.608 -1.667 -10.188 1.00 0.00 C ATOM 0 HA PRO A 148 -4.732 0.982 -11.888 1.00 0.00 H new ATOM 0 HB2 PRO A 148 -6.624 -1.005 -11.478 1.00 0.00 H new ATOM 0 HB3 PRO A 148 -5.349 -1.184 -12.666 1.00 0.00 H new ATOM 0 HG2 PRO A 148 -5.611 -2.502 -9.978 1.00 0.00 H new ATOM 0 HG3 PRO A 148 -4.756 -3.071 -11.398 1.00 0.00 H new ATOM 0 HD2 PRO A 148 -3.545 -1.852 -9.116 1.00 0.00 H new ATOM 0 HD3 PRO A 148 -2.747 -2.153 -10.647 1.00 0.00 H new ATOM 859 N SER A 149 -5.254 1.209 -8.891 1.00 0.00 N ATOM 860 CA SER A 149 -6.071 1.877 -7.838 1.00 0.00 C ATOM 861 C SER A 149 -7.179 0.931 -7.370 1.00 0.00 C ATOM 862 O SER A 149 -8.262 1.354 -7.020 1.00 0.00 O ATOM 863 CB SER A 149 -6.697 3.151 -8.408 1.00 0.00 C ATOM 864 OG SER A 149 -5.970 4.280 -7.943 1.00 0.00 O ATOM 0 H SER A 149 -4.292 0.999 -8.624 1.00 0.00 H new ATOM 0 HA SER A 149 -5.431 2.132 -6.993 1.00 0.00 H new ATOM 0 HB2 SER A 149 -6.685 3.120 -9.497 1.00 0.00 H new ATOM 0 HB3 SER A 149 -7.741 3.225 -8.103 1.00 0.00 H new ATOM 0 HG SER A 149 -6.368 5.098 -8.308 1.00 0.00 H new ATOM 870 N LEU A 150 -6.915 -0.347 -7.357 1.00 0.00 N ATOM 871 CA LEU A 150 -7.953 -1.316 -6.907 1.00 0.00 C ATOM 872 C LEU A 150 -7.566 -1.871 -5.533 1.00 0.00 C ATOM 873 O LEU A 150 -6.784 -2.794 -5.425 1.00 0.00 O ATOM 874 CB LEU A 150 -8.052 -2.465 -7.913 1.00 0.00 C ATOM 875 CG LEU A 150 -9.475 -2.529 -8.472 1.00 0.00 C ATOM 876 CD1 LEU A 150 -9.861 -1.163 -9.042 1.00 0.00 C ATOM 877 CD2 LEU A 150 -9.539 -3.579 -9.583 1.00 0.00 C ATOM 0 H LEU A 150 -6.026 -0.761 -7.638 1.00 0.00 H new ATOM 0 HA LEU A 150 -8.917 -0.812 -6.839 1.00 0.00 H new ATOM 0 HB2 LEU A 150 -7.338 -2.317 -8.723 1.00 0.00 H new ATOM 0 HB3 LEU A 150 -7.796 -3.408 -7.431 1.00 0.00 H new ATOM 0 HG LEU A 150 -10.167 -2.799 -7.674 1.00 0.00 H new ATOM 0 HD11 LEU A 150 -10.875 -1.208 -9.440 1.00 0.00 H new ATOM 0 HD12 LEU A 150 -9.814 -0.413 -8.252 1.00 0.00 H new ATOM 0 HD13 LEU A 150 -9.169 -0.893 -9.840 1.00 0.00 H new ATOM 0 HD21 LEU A 150 -10.552 -3.625 -9.982 1.00 0.00 H new ATOM 0 HD22 LEU A 150 -8.847 -3.308 -10.380 1.00 0.00 H new ATOM 0 HD23 LEU A 150 -9.263 -4.553 -9.179 1.00 0.00 H new ATOM 889 N CYS A 151 -8.105 -1.314 -4.483 1.00 0.00 N ATOM 890 CA CYS A 151 -7.765 -1.811 -3.122 1.00 0.00 C ATOM 891 C CYS A 151 -8.864 -2.754 -2.627 1.00 0.00 C ATOM 892 O CYS A 151 -9.494 -2.514 -1.617 1.00 0.00 O ATOM 893 CB CYS A 151 -7.634 -0.625 -2.164 1.00 0.00 C ATOM 894 SG CYS A 151 -7.051 -1.213 -0.556 1.00 0.00 S ATOM 0 H CYS A 151 -8.765 -0.537 -4.510 1.00 0.00 H new ATOM 0 HA CYS A 151 -6.820 -2.352 -3.160 1.00 0.00 H new ATOM 0 HB2 CYS A 151 -6.938 0.109 -2.569 1.00 0.00 H new ATOM 0 HB3 CYS A 151 -8.596 -0.125 -2.054 1.00 0.00 H new ATOM 899 N GLY A 152 -9.096 -3.827 -3.334 1.00 0.00 N ATOM 900 CA GLY A 152 -10.152 -4.788 -2.907 1.00 0.00 C ATOM 901 C GLY A 152 -11.424 -4.027 -2.548 1.00 0.00 C ATOM 902 O GLY A 152 -11.584 -3.543 -1.444 1.00 0.00 O ATOM 0 H GLY A 152 -8.600 -4.079 -4.189 1.00 0.00 H new ATOM 0 HA2 GLY A 152 -10.356 -5.499 -3.708 1.00 0.00 H new ATOM 0 HA3 GLY A 152 -9.807 -5.365 -2.049 1.00 0.00 H new ATOM 906 N VAL A 153 -12.332 -3.918 -3.474 1.00 0.00 N ATOM 907 CA VAL A 153 -13.602 -3.190 -3.196 1.00 0.00 C ATOM 908 C VAL A 153 -14.770 -4.179 -3.217 1.00 0.00 C ATOM 909 O VAL A 153 -15.860 -3.857 -3.645 1.00 0.00 O ATOM 910 CB VAL A 153 -13.823 -2.120 -4.263 1.00 0.00 C ATOM 911 CG1 VAL A 153 -14.654 -0.978 -3.677 1.00 0.00 C ATOM 912 CG2 VAL A 153 -12.471 -1.575 -4.732 1.00 0.00 C ATOM 0 H VAL A 153 -12.251 -4.302 -4.415 1.00 0.00 H new ATOM 0 HA VAL A 153 -13.542 -2.717 -2.216 1.00 0.00 H new ATOM 0 HB VAL A 153 -14.351 -2.559 -5.109 1.00 0.00 H new ATOM 0 HG11 VAL A 153 -14.811 -0.215 -4.439 1.00 0.00 H new ATOM 0 HG12 VAL A 153 -15.618 -1.363 -3.344 1.00 0.00 H new ATOM 0 HG13 VAL A 153 -14.126 -0.541 -2.829 1.00 0.00 H new ATOM 0 HG21 VAL A 153 -12.631 -0.812 -5.493 1.00 0.00 H new ATOM 0 HG22 VAL A 153 -11.941 -1.138 -3.885 1.00 0.00 H new ATOM 0 HG23 VAL A 153 -11.877 -2.387 -5.151 1.00 0.00 H new ATOM 922 N ASP A 154 -14.550 -5.379 -2.757 1.00 0.00 N ATOM 923 CA ASP A 154 -15.647 -6.388 -2.750 1.00 0.00 C ATOM 924 C ASP A 154 -15.510 -7.281 -1.515 1.00 0.00 C ATOM 925 O ASP A 154 -14.546 -8.005 -1.365 1.00 0.00 O ATOM 926 CB ASP A 154 -15.556 -7.247 -4.013 1.00 0.00 C ATOM 927 CG ASP A 154 -15.452 -6.342 -5.240 1.00 0.00 C ATOM 928 OD1 ASP A 154 -14.474 -5.618 -5.338 1.00 0.00 O ATOM 929 OD2 ASP A 154 -16.350 -6.388 -6.065 1.00 0.00 O ATOM 0 H ASP A 154 -13.658 -5.705 -2.385 1.00 0.00 H new ATOM 0 HA ASP A 154 -16.610 -5.879 -2.725 1.00 0.00 H new ATOM 0 HB2 ASP A 154 -14.687 -7.903 -3.957 1.00 0.00 H new ATOM 0 HB3 ASP A 154 -16.434 -7.887 -4.094 1.00 0.00 H new ATOM 934 N HIS A 155 -16.468 -7.237 -0.629 1.00 0.00 N ATOM 935 CA HIS A 155 -16.391 -8.083 0.594 1.00 0.00 C ATOM 936 C HIS A 155 -17.795 -8.282 1.167 1.00 0.00 C ATOM 937 O HIS A 155 -18.168 -7.674 2.151 1.00 0.00 O ATOM 938 CB HIS A 155 -15.508 -7.394 1.638 1.00 0.00 C ATOM 939 CG HIS A 155 -15.702 -5.906 1.557 1.00 0.00 C ATOM 940 ND1 HIS A 155 -16.937 -5.335 1.295 1.00 0.00 N ATOM 941 CD2 HIS A 155 -14.826 -4.857 1.700 1.00 0.00 C ATOM 942 CE1 HIS A 155 -16.773 -3.998 1.288 1.00 0.00 C ATOM 943 NE2 HIS A 155 -15.505 -3.655 1.530 1.00 0.00 N ATOM 0 H HIS A 155 -17.300 -6.651 -0.700 1.00 0.00 H new ATOM 0 HA HIS A 155 -15.962 -9.052 0.337 1.00 0.00 H new ATOM 0 HB2 HIS A 155 -15.762 -7.750 2.636 1.00 0.00 H new ATOM 0 HB3 HIS A 155 -14.461 -7.645 1.467 1.00 0.00 H new ATOM 0 HD2 HIS A 155 -13.771 -4.951 1.912 1.00 0.00 H new ATOM 0 HE1 HIS A 155 -17.569 -3.290 1.109 1.00 0.00 H new ATOM 0 HE2 HIS A 155 -15.117 -2.713 1.580 1.00 0.00 H new ATOM 951 N THR A 156 -18.580 -9.130 0.560 1.00 0.00 N ATOM 952 CA THR A 156 -19.960 -9.367 1.072 1.00 0.00 C ATOM 953 C THR A 156 -20.170 -10.866 1.296 1.00 0.00 C ATOM 954 O THR A 156 -20.046 -11.362 2.398 1.00 0.00 O ATOM 955 CB THR A 156 -20.978 -8.857 0.050 1.00 0.00 C ATOM 956 OG1 THR A 156 -20.498 -9.112 -1.263 1.00 0.00 O ATOM 957 CG2 THR A 156 -21.182 -7.353 0.237 1.00 0.00 C ATOM 0 H THR A 156 -18.326 -9.669 -0.268 1.00 0.00 H new ATOM 0 HA THR A 156 -20.094 -8.836 2.014 1.00 0.00 H new ATOM 0 HB THR A 156 -21.928 -9.371 0.196 1.00 0.00 H new ATOM 0 HG1 THR A 156 -21.150 -8.787 -1.919 1.00 0.00 H new ATOM 0 HG21 THR A 156 -21.907 -6.991 -0.492 1.00 0.00 H new ATOM 0 HG22 THR A 156 -21.551 -7.158 1.244 1.00 0.00 H new ATOM 0 HG23 THR A 156 -20.233 -6.836 0.092 1.00 0.00 H new ATOM 965 N GLU A 157 -20.486 -11.591 0.259 1.00 0.00 N ATOM 966 CA GLU A 157 -20.703 -13.057 0.413 1.00 0.00 C ATOM 967 C GLU A 157 -19.883 -13.805 -0.640 1.00 0.00 C ATOM 968 O GLU A 157 -18.987 -13.255 -1.248 1.00 0.00 O ATOM 969 CB GLU A 157 -22.187 -13.376 0.227 1.00 0.00 C ATOM 970 CG GLU A 157 -23.004 -12.653 1.300 1.00 0.00 C ATOM 971 CD GLU A 157 -24.429 -12.428 0.790 1.00 0.00 C ATOM 972 OE1 GLU A 157 -24.774 -13.015 -0.222 1.00 0.00 O ATOM 973 OE2 GLU A 157 -25.150 -11.673 1.421 1.00 0.00 O ATOM 0 H GLU A 157 -20.603 -11.232 -0.688 1.00 0.00 H new ATOM 0 HA GLU A 157 -20.388 -13.369 1.409 1.00 0.00 H new ATOM 0 HB2 GLU A 157 -22.515 -13.066 -0.765 1.00 0.00 H new ATOM 0 HB3 GLU A 157 -22.350 -14.452 0.294 1.00 0.00 H new ATOM 0 HG2 GLU A 157 -23.023 -13.243 2.217 1.00 0.00 H new ATOM 0 HG3 GLU A 157 -22.539 -11.698 1.545 1.00 0.00 H new ATOM 980 N ARG A 158 -20.182 -15.056 -0.860 1.00 0.00 N ATOM 981 CA ARG A 158 -19.419 -15.836 -1.875 1.00 0.00 C ATOM 982 C ARG A 158 -20.138 -15.762 -3.223 1.00 0.00 C ATOM 983 O ARG A 158 -20.264 -16.746 -3.926 1.00 0.00 O ATOM 984 CB ARG A 158 -19.322 -17.296 -1.427 1.00 0.00 C ATOM 985 CG ARG A 158 -18.948 -17.351 0.055 1.00 0.00 C ATOM 986 CD ARG A 158 -17.923 -18.464 0.282 1.00 0.00 C ATOM 987 NE ARG A 158 -17.548 -18.508 1.723 1.00 0.00 N ATOM 988 CZ ARG A 158 -16.930 -19.551 2.205 1.00 0.00 C ATOM 989 NH1 ARG A 158 -17.615 -20.561 2.665 1.00 0.00 N ATOM 990 NH2 ARG A 158 -15.625 -19.583 2.227 1.00 0.00 N ATOM 0 H ARG A 158 -20.921 -15.571 -0.381 1.00 0.00 H new ATOM 0 HA ARG A 158 -18.417 -15.419 -1.976 1.00 0.00 H new ATOM 0 HB2 ARG A 158 -20.273 -17.802 -1.592 1.00 0.00 H new ATOM 0 HB3 ARG A 158 -18.574 -17.821 -2.021 1.00 0.00 H new ATOM 0 HG2 ARG A 158 -18.537 -16.393 0.373 1.00 0.00 H new ATOM 0 HG3 ARG A 158 -19.837 -17.532 0.659 1.00 0.00 H new ATOM 0 HD2 ARG A 158 -18.338 -19.424 -0.026 1.00 0.00 H new ATOM 0 HD3 ARG A 158 -17.038 -18.288 -0.330 1.00 0.00 H new ATOM 0 HE ARG A 158 -17.774 -17.722 2.333 1.00 0.00 H new ATOM 0 HH11 ARG A 158 -18.635 -20.536 2.648 1.00 0.00 H new ATOM 0 HH12 ARG A 158 -17.131 -21.376 3.042 1.00 0.00 H new ATOM 0 HH21 ARG A 158 -15.089 -18.793 1.868 1.00 0.00 H new ATOM 0 HH22 ARG A 158 -15.141 -20.398 2.604 1.00 0.00 H new ATOM 1004 N ARG A 159 -20.613 -14.602 -3.590 1.00 0.00 N ATOM 1005 CA ARG A 159 -21.323 -14.467 -4.893 1.00 0.00 C ATOM 1006 C ARG A 159 -20.300 -14.289 -6.017 1.00 0.00 C ATOM 1007 O ARG A 159 -19.141 -14.071 -5.707 1.00 0.00 O ATOM 1008 CB ARG A 159 -22.244 -13.246 -4.846 1.00 0.00 C ATOM 1009 CG ARG A 159 -21.491 -12.062 -4.237 1.00 0.00 C ATOM 1010 CD ARG A 159 -22.224 -10.762 -4.573 1.00 0.00 C ATOM 1011 NE ARG A 159 -22.425 -10.671 -6.047 1.00 0.00 N ATOM 1012 CZ ARG A 159 -23.268 -9.805 -6.539 1.00 0.00 C ATOM 1013 NH1 ARG A 159 -24.536 -9.889 -6.244 1.00 0.00 N ATOM 1014 NH2 ARG A 159 -22.841 -8.855 -7.325 1.00 0.00 N ATOM 1015 OXT ARG A 159 -20.694 -14.375 -7.167 1.00 0.00 O ATOM 0 H ARG A 159 -20.540 -13.744 -3.044 1.00 0.00 H new ATOM 0 HA ARG A 159 -21.914 -15.364 -5.079 1.00 0.00 H new ATOM 0 HB2 ARG A 159 -22.585 -12.996 -5.851 1.00 0.00 H new ATOM 0 HB3 ARG A 159 -23.132 -13.469 -4.254 1.00 0.00 H new ATOM 0 HG2 ARG A 159 -21.418 -12.181 -3.156 1.00 0.00 H new ATOM 0 HG3 ARG A 159 -20.472 -12.028 -4.624 1.00 0.00 H new ATOM 0 HD2 ARG A 159 -23.186 -10.732 -4.062 1.00 0.00 H new ATOM 0 HD3 ARG A 159 -21.649 -9.906 -4.220 1.00 0.00 H new ATOM 0 HE ARG A 159 -21.903 -11.286 -6.672 1.00 0.00 H new ATOM 0 HH11 ARG A 159 -24.868 -10.632 -5.629 1.00 0.00 H new ATOM 0 HH12 ARG A 159 -25.195 -9.212 -6.629 1.00 0.00 H new ATOM 0 HH21 ARG A 159 -21.849 -8.790 -7.554 1.00 0.00 H new ATOM 0 HH22 ARG A 159 -23.499 -8.177 -7.710 1.00 0.00 H new TER 1029 ARG A 159 HETATM 1030 ZN ZN A 1 -4.763 -1.205 -0.711 1.00 0.00 ZN HETATM 1031 ZN ZN A 2 8.348 -1.981 -6.610 1.00 0.00 ZN