USER MOD reduce.3.24.130724 H: found=0, std=0, add=519, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 519 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 2 ASN : amide:sc= 0.875 K(o=2.6,f=-9.1!) USER MOD Set 1.2: A 25 LYS NZ :NH3+ 163:sc= 1.7 (180deg=-0.406!) USER MOD Single : A 1 MET CE :methyl 159:sc= -0.146 (180deg=-0.654) USER MOD Single : A 1 MET N :NH3+ -178:sc= -0.203 (180deg=-0.228) USER MOD Single : A 6 THR OG1 : rot -88:sc= 0.38 USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 THR OG1 : rot 75:sc= 0.867 USER MOD Single : A 12 LYS NZ :NH3+ -159:sc= 1.27 (180deg=1.2) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 ASN : amide:sc= 1.04 K(o=1,f=-4.2!) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 23 GLN : amide:sc= -0.038 X(o=-0.038,f=-0.11) USER MOD Single : A 30 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 34 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 37 GLN : amide:sc= 0 K(o=0,f=-0.8) USER MOD Single : A 41 THR OG1 : rot 180:sc= -0.764 USER MOD Single : A 47 GLN : amide:sc= 1.07 K(o=1.1,f=-0.83) USER MOD Single : A 54 GLN : amide:sc= -0.178 X(o=-0.18,f=-0.36) USER MOD Single : A 57 HIS : no HD1:sc= 0 X(o=0,f=-0.0021) USER MOD Single : A 58 HIS : no HD1:sc= 1.17 K(o=1.2,f=-5!) USER MOD Single : A 59 HIS : no HD1:sc= -0.273 X(o=-0.27,f=-0.019) USER MOD Single : A 60 HIS : no HD1:sc= 0 X(o=0,f=-0.23) USER MOD Single : A 61 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 62 HIS : no HD1:sc= -0.0209 X(o=-0.021,f=-0.11) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -10.462 8.406 -4.585 1.00 0.00 N ATOM 2 CA MET A 1 -9.984 7.006 -4.658 1.00 0.00 C ATOM 3 C MET A 1 -8.490 6.925 -4.358 1.00 0.00 C ATOM 4 O MET A 1 -7.998 5.894 -3.904 1.00 0.00 O ATOM 5 CB MET A 1 -10.280 6.404 -6.039 1.00 0.00 C ATOM 6 CG MET A 1 -9.529 7.070 -7.184 1.00 0.00 C ATOM 7 SD MET A 1 -9.937 6.362 -8.790 1.00 0.00 S ATOM 8 CE MET A 1 -11.680 6.759 -8.911 1.00 0.00 C ATOM 0 H1 MET A 1 -11.487 8.432 -4.759 1.00 0.00 H new ATOM 0 H2 MET A 1 -10.261 8.793 -3.641 1.00 0.00 H new ATOM 0 H3 MET A 1 -9.974 8.977 -5.304 1.00 0.00 H new ATOM 0 HA MET A 1 -10.519 6.429 -3.904 1.00 0.00 H new ATOM 0 HB2 MET A 1 -10.028 5.344 -6.022 1.00 0.00 H new ATOM 0 HB3 MET A 1 -11.351 6.474 -6.232 1.00 0.00 H new ATOM 0 HG2 MET A 1 -9.759 8.135 -7.192 1.00 0.00 H new ATOM 0 HG3 MET A 1 -8.457 6.977 -7.012 1.00 0.00 H new ATOM 0 HE1 MET A 1 -11.987 6.733 -9.956 1.00 0.00 H new ATOM 0 HE2 MET A 1 -12.259 6.030 -8.344 1.00 0.00 H new ATOM 0 HE3 MET A 1 -11.855 7.756 -8.506 1.00 0.00 H new ATOM 20 N ASN A 2 -7.774 8.016 -4.611 1.00 0.00 N ATOM 21 CA ASN A 2 -6.347 8.081 -4.322 1.00 0.00 C ATOM 22 C ASN A 2 -6.110 8.871 -3.040 1.00 0.00 C ATOM 23 O ASN A 2 -6.707 9.931 -2.837 1.00 0.00 O ATOM 24 CB ASN A 2 -5.595 8.724 -5.495 1.00 0.00 C ATOM 25 CG ASN A 2 -4.108 8.882 -5.232 1.00 0.00 C ATOM 26 OD1 ASN A 2 -3.319 7.965 -5.470 1.00 0.00 O ATOM 27 ND2 ASN A 2 -3.710 10.055 -4.764 1.00 0.00 N ATOM 0 H ASN A 2 -8.160 8.868 -5.016 1.00 0.00 H new ATOM 0 HA ASN A 2 -5.968 7.068 -4.184 1.00 0.00 H new ATOM 0 HB2 ASN A 2 -5.738 8.115 -6.388 1.00 0.00 H new ATOM 0 HB3 ASN A 2 -6.027 9.703 -5.704 1.00 0.00 H new ATOM 0 HD21 ASN A 2 -2.720 10.224 -4.588 1.00 0.00 H new ATOM 0 HD22 ASN A 2 -4.394 10.789 -4.580 1.00 0.00 H new ATOM 34 N LEU A 3 -5.258 8.348 -2.175 1.00 0.00 N ATOM 35 CA LEU A 3 -4.997 8.965 -0.880 1.00 0.00 C ATOM 36 C LEU A 3 -3.600 9.574 -0.826 1.00 0.00 C ATOM 37 O LEU A 3 -2.857 9.536 -1.807 1.00 0.00 O ATOM 38 CB LEU A 3 -5.167 7.939 0.239 1.00 0.00 C ATOM 39 CG LEU A 3 -6.581 7.375 0.382 1.00 0.00 C ATOM 40 CD1 LEU A 3 -6.634 6.359 1.506 1.00 0.00 C ATOM 41 CD2 LEU A 3 -7.580 8.499 0.627 1.00 0.00 C ATOM 0 H LEU A 3 -4.731 7.492 -2.345 1.00 0.00 H new ATOM 0 HA LEU A 3 -5.720 9.769 -0.741 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -4.478 7.113 0.064 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -4.878 8.401 1.183 1.00 0.00 H new ATOM 0 HG LEU A 3 -6.850 6.873 -0.548 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -7.647 5.967 1.595 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -5.946 5.541 1.290 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -6.347 6.837 2.442 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -8.581 8.080 0.726 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -7.315 9.028 1.543 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -7.559 9.194 -0.213 1.00 0.00 H new ATOM 53 N ARG A 4 -3.258 10.160 0.313 1.00 0.00 N ATOM 54 CA ARG A 4 -1.938 10.740 0.501 1.00 0.00 C ATOM 55 C ARG A 4 -0.911 9.652 0.773 1.00 0.00 C ATOM 56 O ARG A 4 -0.990 8.942 1.778 1.00 0.00 O ATOM 57 CB ARG A 4 -1.945 11.750 1.652 1.00 0.00 C ATOM 58 CG ARG A 4 -0.554 12.240 2.024 1.00 0.00 C ATOM 59 CD ARG A 4 -0.588 13.297 3.117 1.00 0.00 C ATOM 60 NE ARG A 4 0.762 13.685 3.524 1.00 0.00 N ATOM 61 CZ ARG A 4 1.335 14.844 3.207 1.00 0.00 C ATOM 62 NH1 ARG A 4 0.661 15.759 2.523 1.00 0.00 N ATOM 63 NH2 ARG A 4 2.583 15.085 3.585 1.00 0.00 N ATOM 0 H ARG A 4 -3.877 10.246 1.119 1.00 0.00 H new ATOM 0 HA ARG A 4 -1.666 11.261 -0.417 1.00 0.00 H new ATOM 0 HB2 ARG A 4 -2.562 12.604 1.374 1.00 0.00 H new ATOM 0 HB3 ARG A 4 -2.408 11.293 2.526 1.00 0.00 H new ATOM 0 HG2 ARG A 4 0.049 11.395 2.357 1.00 0.00 H new ATOM 0 HG3 ARG A 4 -0.067 12.651 1.139 1.00 0.00 H new ATOM 0 HD2 ARG A 4 -1.129 14.174 2.761 1.00 0.00 H new ATOM 0 HD3 ARG A 4 -1.134 12.914 3.979 1.00 0.00 H new ATOM 0 HE ARG A 4 1.299 13.025 4.087 1.00 0.00 H new ATOM 0 HH11 ARG A 4 -0.301 15.576 2.237 1.00 0.00 H new ATOM 0 HH12 ARG A 4 1.105 16.645 2.283 1.00 0.00 H new ATOM 0 HH21 ARG A 4 3.099 14.384 4.116 1.00 0.00 H new ATOM 0 HH22 ARG A 4 3.027 15.971 3.345 1.00 0.00 H new ATOM 77 N TRP A 5 0.044 9.515 -0.131 1.00 0.00 N ATOM 78 CA TRP A 5 1.109 8.544 0.035 1.00 0.00 C ATOM 79 C TRP A 5 2.340 9.197 0.631 1.00 0.00 C ATOM 80 O TRP A 5 2.794 10.243 0.161 1.00 0.00 O ATOM 81 CB TRP A 5 1.466 7.890 -1.302 1.00 0.00 C ATOM 82 CG TRP A 5 0.403 6.968 -1.814 1.00 0.00 C ATOM 83 CD1 TRP A 5 -0.845 7.303 -2.251 1.00 0.00 C ATOM 84 CD2 TRP A 5 0.506 5.548 -1.941 1.00 0.00 C ATOM 85 NE1 TRP A 5 -1.532 6.175 -2.624 1.00 0.00 N ATOM 86 CE2 TRP A 5 -0.722 5.085 -2.445 1.00 0.00 C ATOM 87 CE3 TRP A 5 1.516 4.624 -1.667 1.00 0.00 C ATOM 88 CZ2 TRP A 5 -0.962 3.735 -2.687 1.00 0.00 C ATOM 89 CZ3 TRP A 5 1.276 3.286 -1.907 1.00 0.00 C ATOM 90 CH2 TRP A 5 0.044 2.852 -2.412 1.00 0.00 C ATOM 0 H TRP A 5 0.103 10.065 -0.988 1.00 0.00 H new ATOM 0 HA TRP A 5 0.752 7.772 0.717 1.00 0.00 H new ATOM 0 HB2 TRP A 5 1.649 8.669 -2.042 1.00 0.00 H new ATOM 0 HB3 TRP A 5 2.396 7.333 -1.189 1.00 0.00 H new ATOM 0 HD1 TRP A 5 -1.235 8.309 -2.297 1.00 0.00 H new ATOM 0 HE1 TRP A 5 -2.489 6.152 -2.977 1.00 0.00 H new ATOM 0 HE3 TRP A 5 2.468 4.950 -1.274 1.00 0.00 H new ATOM 0 HZ2 TRP A 5 -1.910 3.397 -3.078 1.00 0.00 H new ATOM 0 HZ3 TRP A 5 2.051 2.562 -1.702 1.00 0.00 H new ATOM 0 HH2 TRP A 5 -0.114 1.798 -2.588 1.00 0.00 H new ATOM 101 N THR A 6 2.865 8.586 1.679 1.00 0.00 N ATOM 102 CA THR A 6 4.100 9.039 2.281 1.00 0.00 C ATOM 103 C THR A 6 5.274 8.662 1.381 1.00 0.00 C ATOM 104 O THR A 6 5.159 7.737 0.573 1.00 0.00 O ATOM 105 CB THR A 6 4.294 8.423 3.683 1.00 0.00 C ATOM 106 OG1 THR A 6 4.188 6.996 3.615 1.00 0.00 O ATOM 107 CG2 THR A 6 3.254 8.951 4.657 1.00 0.00 C ATOM 0 H THR A 6 2.450 7.771 2.130 1.00 0.00 H new ATOM 0 HA THR A 6 4.054 10.122 2.391 1.00 0.00 H new ATOM 0 HB THR A 6 5.286 8.703 4.036 1.00 0.00 H new ATOM 0 HG1 THR A 6 3.250 6.732 3.720 1.00 0.00 H new ATOM 0 HG21 THR A 6 3.412 8.502 5.637 1.00 0.00 H new ATOM 0 HG22 THR A 6 3.346 10.034 4.735 1.00 0.00 H new ATOM 0 HG23 THR A 6 2.257 8.696 4.298 1.00 0.00 H new ATOM 115 N SER A 7 6.387 9.370 1.500 1.00 0.00 N ATOM 116 CA SER A 7 7.561 9.079 0.683 1.00 0.00 C ATOM 117 C SER A 7 8.057 7.656 0.937 1.00 0.00 C ATOM 118 O SER A 7 8.582 6.992 0.036 1.00 0.00 O ATOM 119 CB SER A 7 8.664 10.092 0.970 1.00 0.00 C ATOM 120 OG SER A 7 8.213 11.413 0.712 1.00 0.00 O ATOM 0 H SER A 7 6.504 10.147 2.150 1.00 0.00 H new ATOM 0 HA SER A 7 7.281 9.157 -0.368 1.00 0.00 H new ATOM 0 HB2 SER A 7 8.981 10.007 2.010 1.00 0.00 H new ATOM 0 HB3 SER A 7 9.535 9.873 0.353 1.00 0.00 H new ATOM 0 HG SER A 7 8.934 12.048 0.904 1.00 0.00 H new ATOM 126 N GLU A 8 7.873 7.189 2.165 1.00 0.00 N ATOM 127 CA GLU A 8 8.210 5.822 2.520 1.00 0.00 C ATOM 128 C GLU A 8 7.267 4.854 1.816 1.00 0.00 C ATOM 129 O GLU A 8 7.696 3.841 1.262 1.00 0.00 O ATOM 130 CB GLU A 8 8.125 5.622 4.037 1.00 0.00 C ATOM 131 CG GLU A 8 9.183 6.368 4.842 1.00 0.00 C ATOM 132 CD GLU A 8 9.050 7.875 4.754 1.00 0.00 C ATOM 133 OE1 GLU A 8 7.941 8.391 4.989 1.00 0.00 O ATOM 134 OE2 GLU A 8 10.057 8.551 4.456 1.00 0.00 O ATOM 0 H GLU A 8 7.491 7.741 2.933 1.00 0.00 H new ATOM 0 HA GLU A 8 9.233 5.624 2.200 1.00 0.00 H new ATOM 0 HB2 GLU A 8 7.139 5.941 4.376 1.00 0.00 H new ATOM 0 HB3 GLU A 8 8.208 4.557 4.254 1.00 0.00 H new ATOM 0 HG2 GLU A 8 9.116 6.065 5.887 1.00 0.00 H new ATOM 0 HG3 GLU A 8 10.172 6.076 4.488 1.00 0.00 H new ATOM 141 N ALA A 9 5.977 5.184 1.828 1.00 0.00 N ATOM 142 CA ALA A 9 4.963 4.367 1.170 1.00 0.00 C ATOM 143 C ALA A 9 5.216 4.290 -0.329 1.00 0.00 C ATOM 144 O ALA A 9 5.099 3.224 -0.925 1.00 0.00 O ATOM 145 CB ALA A 9 3.571 4.914 1.446 1.00 0.00 C ATOM 0 H ALA A 9 5.609 6.016 2.289 1.00 0.00 H new ATOM 0 HA ALA A 9 5.026 3.359 1.579 1.00 0.00 H new ATOM 0 HB1 ALA A 9 2.829 4.291 0.946 1.00 0.00 H new ATOM 0 HB2 ALA A 9 3.385 4.910 2.520 1.00 0.00 H new ATOM 0 HB3 ALA A 9 3.500 5.934 1.070 1.00 0.00 H new ATOM 151 N LYS A 10 5.559 5.425 -0.933 1.00 0.00 N ATOM 152 CA LYS A 10 5.907 5.470 -2.352 1.00 0.00 C ATOM 153 C LYS A 10 7.029 4.484 -2.661 1.00 0.00 C ATOM 154 O LYS A 10 6.950 3.717 -3.618 1.00 0.00 O ATOM 155 CB LYS A 10 6.346 6.878 -2.760 1.00 0.00 C ATOM 156 CG LYS A 10 5.281 7.942 -2.566 1.00 0.00 C ATOM 157 CD LYS A 10 5.815 9.316 -2.926 1.00 0.00 C ATOM 158 CE LYS A 10 4.777 10.400 -2.703 1.00 0.00 C ATOM 159 NZ LYS A 10 5.300 11.744 -3.061 1.00 0.00 N ATOM 0 H LYS A 10 5.604 6.328 -0.461 1.00 0.00 H new ATOM 0 HA LYS A 10 5.018 5.195 -2.920 1.00 0.00 H new ATOM 0 HB2 LYS A 10 7.228 7.153 -2.182 1.00 0.00 H new ATOM 0 HB3 LYS A 10 6.643 6.864 -3.809 1.00 0.00 H new ATOM 0 HG2 LYS A 10 4.414 7.711 -3.185 1.00 0.00 H new ATOM 0 HG3 LYS A 10 4.943 7.939 -1.530 1.00 0.00 H new ATOM 0 HD2 LYS A 10 6.699 9.531 -2.326 1.00 0.00 H new ATOM 0 HD3 LYS A 10 6.128 9.322 -3.970 1.00 0.00 H new ATOM 0 HE2 LYS A 10 3.891 10.184 -3.300 1.00 0.00 H new ATOM 0 HE3 LYS A 10 4.466 10.397 -1.658 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 4.563 12.459 -2.895 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 6.131 11.961 -2.474 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 5.573 11.754 -4.064 1.00 0.00 H new ATOM 173 N THR A 11 8.068 4.508 -1.833 1.00 0.00 N ATOM 174 CA THR A 11 9.202 3.612 -1.999 1.00 0.00 C ATOM 175 C THR A 11 8.771 2.151 -1.840 1.00 0.00 C ATOM 176 O THR A 11 9.231 1.270 -2.569 1.00 0.00 O ATOM 177 CB THR A 11 10.310 3.949 -0.981 1.00 0.00 C ATOM 178 OG1 THR A 11 10.645 5.344 -1.079 1.00 0.00 O ATOM 179 CG2 THR A 11 11.555 3.106 -1.224 1.00 0.00 C ATOM 0 H THR A 11 8.146 5.142 -1.038 1.00 0.00 H new ATOM 0 HA THR A 11 9.595 3.749 -3.006 1.00 0.00 H new ATOM 0 HB THR A 11 9.937 3.726 0.018 1.00 0.00 H new ATOM 0 HG1 THR A 11 9.938 5.880 -0.664 1.00 0.00 H new ATOM 0 HG21 THR A 11 12.319 3.366 -0.491 1.00 0.00 H new ATOM 0 HG22 THR A 11 11.304 2.050 -1.128 1.00 0.00 H new ATOM 0 HG23 THR A 11 11.935 3.298 -2.227 1.00 0.00 H new ATOM 187 N LYS A 12 7.867 1.912 -0.895 1.00 0.00 N ATOM 188 CA LYS A 12 7.317 0.583 -0.668 1.00 0.00 C ATOM 189 C LYS A 12 6.478 0.129 -1.860 1.00 0.00 C ATOM 190 O LYS A 12 6.503 -1.041 -2.230 1.00 0.00 O ATOM 191 CB LYS A 12 6.460 0.576 0.597 1.00 0.00 C ATOM 192 CG LYS A 12 7.252 0.591 1.891 1.00 0.00 C ATOM 193 CD LYS A 12 7.970 -0.729 2.117 1.00 0.00 C ATOM 194 CE LYS A 12 8.457 -0.844 3.551 1.00 0.00 C ATOM 195 NZ LYS A 12 9.075 -2.162 3.831 1.00 0.00 N ATOM 0 H LYS A 12 7.498 2.629 -0.270 1.00 0.00 H new ATOM 0 HA LYS A 12 8.149 -0.110 -0.545 1.00 0.00 H new ATOM 0 HB2 LYS A 12 5.800 1.444 0.579 1.00 0.00 H new ATOM 0 HB3 LYS A 12 5.824 -0.309 0.585 1.00 0.00 H new ATOM 0 HG2 LYS A 12 7.979 1.403 1.865 1.00 0.00 H new ATOM 0 HG3 LYS A 12 6.582 0.790 2.727 1.00 0.00 H new ATOM 0 HD2 LYS A 12 7.298 -1.556 1.890 1.00 0.00 H new ATOM 0 HD3 LYS A 12 8.816 -0.809 1.434 1.00 0.00 H new ATOM 0 HE2 LYS A 12 9.182 -0.055 3.750 1.00 0.00 H new ATOM 0 HE3 LYS A 12 7.620 -0.686 4.231 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 9.067 -2.338 4.856 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 8.536 -2.908 3.347 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 10.056 -2.165 3.487 1.00 0.00 H new ATOM 209 N LEU A 13 5.730 1.057 -2.449 1.00 0.00 N ATOM 210 CA LEU A 13 4.911 0.753 -3.620 1.00 0.00 C ATOM 211 C LEU A 13 5.803 0.400 -4.805 1.00 0.00 C ATOM 212 O LEU A 13 5.491 -0.488 -5.596 1.00 0.00 O ATOM 213 CB LEU A 13 4.008 1.942 -3.973 1.00 0.00 C ATOM 214 CG LEU A 13 3.031 1.706 -5.131 1.00 0.00 C ATOM 215 CD1 LEU A 13 2.077 0.567 -4.801 1.00 0.00 C ATOM 216 CD2 LEU A 13 2.260 2.981 -5.436 1.00 0.00 C ATOM 0 H LEU A 13 5.673 2.026 -2.135 1.00 0.00 H new ATOM 0 HA LEU A 13 4.277 -0.102 -3.386 1.00 0.00 H new ATOM 0 HB2 LEU A 13 3.435 2.217 -3.087 1.00 0.00 H new ATOM 0 HB3 LEU A 13 4.640 2.795 -4.221 1.00 0.00 H new ATOM 0 HG LEU A 13 3.601 1.426 -6.017 1.00 0.00 H new ATOM 0 HD11 LEU A 13 1.391 0.414 -5.634 1.00 0.00 H new ATOM 0 HD12 LEU A 13 2.647 -0.346 -4.627 1.00 0.00 H new ATOM 0 HD13 LEU A 13 1.509 0.816 -3.905 1.00 0.00 H new ATOM 0 HD21 LEU A 13 1.570 2.800 -6.260 1.00 0.00 H new ATOM 0 HD22 LEU A 13 1.699 3.287 -4.553 1.00 0.00 H new ATOM 0 HD23 LEU A 13 2.958 3.771 -5.714 1.00 0.00 H new ATOM 228 N LYS A 14 6.928 1.098 -4.905 1.00 0.00 N ATOM 229 CA LYS A 14 7.926 0.815 -5.930 1.00 0.00 C ATOM 230 C LYS A 14 8.624 -0.512 -5.639 1.00 0.00 C ATOM 231 O LYS A 14 9.221 -1.122 -6.526 1.00 0.00 O ATOM 232 CB LYS A 14 8.960 1.941 -5.987 1.00 0.00 C ATOM 233 CG LYS A 14 8.382 3.290 -6.382 1.00 0.00 C ATOM 234 CD LYS A 14 9.412 4.398 -6.231 1.00 0.00 C ATOM 235 CE LYS A 14 8.837 5.751 -6.612 1.00 0.00 C ATOM 236 NZ LYS A 14 9.810 6.848 -6.370 1.00 0.00 N ATOM 0 H LYS A 14 7.173 1.869 -4.284 1.00 0.00 H new ATOM 0 HA LYS A 14 7.421 0.746 -6.894 1.00 0.00 H new ATOM 0 HB2 LYS A 14 9.436 2.033 -5.011 1.00 0.00 H new ATOM 0 HB3 LYS A 14 9.740 1.669 -6.698 1.00 0.00 H new ATOM 0 HG2 LYS A 14 8.035 3.251 -7.415 1.00 0.00 H new ATOM 0 HG3 LYS A 14 7.513 3.511 -5.762 1.00 0.00 H new ATOM 0 HD2 LYS A 14 9.765 4.429 -5.200 1.00 0.00 H new ATOM 0 HD3 LYS A 14 10.277 4.180 -6.858 1.00 0.00 H new ATOM 0 HE2 LYS A 14 8.552 5.742 -7.664 1.00 0.00 H new ATOM 0 HE3 LYS A 14 7.929 5.936 -6.037 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 9.383 7.757 -6.641 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 10.063 6.872 -5.361 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 10.666 6.684 -6.938 1.00 0.00 H new ATOM 250 N ASN A 15 8.543 -0.945 -4.388 1.00 0.00 N ATOM 251 CA ASN A 15 9.158 -2.193 -3.955 1.00 0.00 C ATOM 252 C ASN A 15 8.301 -3.373 -4.399 1.00 0.00 C ATOM 253 O ASN A 15 8.757 -4.518 -4.443 1.00 0.00 O ATOM 254 CB ASN A 15 9.301 -2.199 -2.432 1.00 0.00 C ATOM 255 CG ASN A 15 10.357 -3.167 -1.941 1.00 0.00 C ATOM 256 OD1 ASN A 15 10.094 -4.355 -1.752 1.00 0.00 O ATOM 257 ND2 ASN A 15 11.548 -2.654 -1.695 1.00 0.00 N ATOM 0 H ASN A 15 8.052 -0.444 -3.648 1.00 0.00 H new ATOM 0 HA ASN A 15 10.146 -2.280 -4.407 1.00 0.00 H new ATOM 0 HB2 ASN A 15 9.551 -1.194 -2.092 1.00 0.00 H new ATOM 0 HB3 ASN A 15 8.342 -2.458 -1.983 1.00 0.00 H new ATOM 0 HD21 ASN A 15 12.294 -3.248 -1.334 1.00 0.00 H new ATOM 0 HD22 ASN A 15 11.722 -1.664 -1.866 1.00 0.00 H new ATOM 264 N ILE A 16 7.052 -3.074 -4.726 1.00 0.00 N ATOM 265 CA ILE A 16 6.117 -4.070 -5.216 1.00 0.00 C ATOM 266 C ILE A 16 6.257 -4.205 -6.728 1.00 0.00 C ATOM 267 O ILE A 16 6.399 -3.199 -7.429 1.00 0.00 O ATOM 268 CB ILE A 16 4.657 -3.681 -4.874 1.00 0.00 C ATOM 269 CG1 ILE A 16 4.528 -3.373 -3.382 1.00 0.00 C ATOM 270 CG2 ILE A 16 3.685 -4.786 -5.277 1.00 0.00 C ATOM 271 CD1 ILE A 16 3.139 -2.936 -2.966 1.00 0.00 C ATOM 0 H ILE A 16 6.661 -2.134 -4.658 1.00 0.00 H new ATOM 0 HA ILE A 16 6.348 -5.019 -4.732 1.00 0.00 H new ATOM 0 HB ILE A 16 4.401 -2.786 -5.442 1.00 0.00 H new ATOM 0 HG12 ILE A 16 4.806 -4.260 -2.812 1.00 0.00 H new ATOM 0 HG13 ILE A 16 5.239 -2.590 -3.119 1.00 0.00 H new ATOM 0 HG21 ILE A 16 2.668 -4.486 -5.025 1.00 0.00 H new ATOM 0 HG22 ILE A 16 3.757 -4.960 -6.351 1.00 0.00 H new ATOM 0 HG23 ILE A 16 3.935 -5.703 -4.743 1.00 0.00 H new ATOM 0 HD11 ILE A 16 3.126 -2.736 -1.895 1.00 0.00 H new ATOM 0 HD12 ILE A 16 2.865 -2.031 -3.508 1.00 0.00 H new ATOM 0 HD13 ILE A 16 2.425 -3.727 -3.196 1.00 0.00 H new ATOM 283 N PRO A 17 6.262 -5.441 -7.251 1.00 0.00 N ATOM 284 CA PRO A 17 6.278 -5.685 -8.694 1.00 0.00 C ATOM 285 C PRO A 17 5.139 -4.953 -9.399 1.00 0.00 C ATOM 286 O PRO A 17 4.003 -4.963 -8.922 1.00 0.00 O ATOM 287 CB PRO A 17 6.097 -7.199 -8.807 1.00 0.00 C ATOM 288 CG PRO A 17 6.596 -7.741 -7.511 1.00 0.00 C ATOM 289 CD PRO A 17 6.275 -6.698 -6.476 1.00 0.00 C ATOM 0 HA PRO A 17 7.193 -5.325 -9.165 1.00 0.00 H new ATOM 0 HB2 PRO A 17 5.051 -7.461 -8.969 1.00 0.00 H new ATOM 0 HB3 PRO A 17 6.661 -7.603 -9.648 1.00 0.00 H new ATOM 0 HG2 PRO A 17 6.114 -8.689 -7.273 1.00 0.00 H new ATOM 0 HG3 PRO A 17 7.668 -7.931 -7.554 1.00 0.00 H new ATOM 0 HD2 PRO A 17 5.313 -6.887 -6.000 1.00 0.00 H new ATOM 0 HD3 PRO A 17 7.023 -6.674 -5.684 1.00 0.00 H new ATOM 297 N PHE A 18 5.451 -4.327 -10.532 1.00 0.00 N ATOM 298 CA PHE A 18 4.476 -3.555 -11.306 1.00 0.00 C ATOM 299 C PHE A 18 3.208 -4.359 -11.577 1.00 0.00 C ATOM 300 O PHE A 18 2.104 -3.809 -11.580 1.00 0.00 O ATOM 301 CB PHE A 18 5.112 -3.095 -12.623 1.00 0.00 C ATOM 302 CG PHE A 18 4.138 -2.521 -13.617 1.00 0.00 C ATOM 303 CD1 PHE A 18 3.677 -1.222 -13.488 1.00 0.00 C ATOM 304 CD2 PHE A 18 3.687 -3.284 -14.684 1.00 0.00 C ATOM 305 CE1 PHE A 18 2.786 -0.693 -14.401 1.00 0.00 C ATOM 306 CE2 PHE A 18 2.796 -2.759 -15.598 1.00 0.00 C ATOM 307 CZ PHE A 18 2.344 -1.462 -15.456 1.00 0.00 C ATOM 0 H PHE A 18 6.385 -4.339 -10.941 1.00 0.00 H new ATOM 0 HA PHE A 18 4.188 -2.683 -10.718 1.00 0.00 H new ATOM 0 HB2 PHE A 18 5.872 -2.345 -12.403 1.00 0.00 H new ATOM 0 HB3 PHE A 18 5.623 -3.942 -13.081 1.00 0.00 H new ATOM 0 HD1 PHE A 18 4.018 -0.615 -12.663 1.00 0.00 H new ATOM 0 HD2 PHE A 18 4.037 -4.299 -14.801 1.00 0.00 H new ATOM 0 HE1 PHE A 18 2.436 0.322 -14.288 1.00 0.00 H new ATOM 0 HE2 PHE A 18 2.452 -3.363 -16.425 1.00 0.00 H new ATOM 0 HZ PHE A 18 1.646 -1.051 -16.170 1.00 0.00 H new ATOM 317 N PHE A 19 3.373 -5.660 -11.775 1.00 0.00 N ATOM 318 CA PHE A 19 2.251 -6.552 -12.041 1.00 0.00 C ATOM 319 C PHE A 19 1.210 -6.499 -10.920 1.00 0.00 C ATOM 320 O PHE A 19 0.014 -6.661 -11.163 1.00 0.00 O ATOM 321 CB PHE A 19 2.765 -7.984 -12.219 1.00 0.00 C ATOM 322 CG PHE A 19 1.673 -9.013 -12.306 1.00 0.00 C ATOM 323 CD1 PHE A 19 0.902 -9.129 -13.449 1.00 0.00 C ATOM 324 CD2 PHE A 19 1.420 -9.860 -11.239 1.00 0.00 C ATOM 325 CE1 PHE A 19 -0.104 -10.071 -13.526 1.00 0.00 C ATOM 326 CE2 PHE A 19 0.417 -10.804 -11.311 1.00 0.00 C ATOM 327 CZ PHE A 19 -0.348 -10.908 -12.455 1.00 0.00 C ATOM 0 H PHE A 19 4.281 -6.125 -11.756 1.00 0.00 H new ATOM 0 HA PHE A 19 1.763 -6.221 -12.958 1.00 0.00 H new ATOM 0 HB2 PHE A 19 3.371 -8.033 -13.124 1.00 0.00 H new ATOM 0 HB3 PHE A 19 3.420 -8.232 -11.383 1.00 0.00 H new ATOM 0 HD1 PHE A 19 1.089 -8.476 -14.289 1.00 0.00 H new ATOM 0 HD2 PHE A 19 2.015 -9.780 -10.341 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -0.700 -10.153 -14.423 1.00 0.00 H new ATOM 0 HE2 PHE A 19 0.231 -11.460 -10.474 1.00 0.00 H new ATOM 0 HZ PHE A 19 -1.137 -11.643 -12.513 1.00 0.00 H new ATOM 337 N ALA A 20 1.656 -6.250 -9.698 1.00 0.00 N ATOM 338 CA ALA A 20 0.759 -6.274 -8.554 1.00 0.00 C ATOM 339 C ALA A 20 0.662 -4.909 -7.880 1.00 0.00 C ATOM 340 O ALA A 20 0.018 -4.779 -6.843 1.00 0.00 O ATOM 341 CB ALA A 20 1.209 -7.329 -7.555 1.00 0.00 C ATOM 0 H ALA A 20 2.627 -6.031 -9.474 1.00 0.00 H new ATOM 0 HA ALA A 20 -0.236 -6.529 -8.919 1.00 0.00 H new ATOM 0 HB1 ALA A 20 0.529 -7.337 -6.703 1.00 0.00 H new ATOM 0 HB2 ALA A 20 1.203 -8.309 -8.033 1.00 0.00 H new ATOM 0 HB3 ALA A 20 2.218 -7.099 -7.212 1.00 0.00 H new ATOM 347 N ARG A 21 1.283 -3.891 -8.472 1.00 0.00 N ATOM 348 CA ARG A 21 1.279 -2.555 -7.877 1.00 0.00 C ATOM 349 C ARG A 21 -0.131 -1.980 -7.820 1.00 0.00 C ATOM 350 O ARG A 21 -0.562 -1.491 -6.781 1.00 0.00 O ATOM 351 CB ARG A 21 2.178 -1.594 -8.648 1.00 0.00 C ATOM 352 CG ARG A 21 3.665 -1.823 -8.457 1.00 0.00 C ATOM 353 CD ARG A 21 4.472 -0.664 -9.025 1.00 0.00 C ATOM 354 NE ARG A 21 3.701 0.105 -10.006 1.00 0.00 N ATOM 355 CZ ARG A 21 4.232 0.868 -10.960 1.00 0.00 C ATOM 356 NH1 ARG A 21 5.546 0.915 -11.141 1.00 0.00 N ATOM 357 NH2 ARG A 21 3.431 1.561 -11.757 1.00 0.00 N ATOM 0 H ARG A 21 1.791 -3.963 -9.354 1.00 0.00 H new ATOM 0 HA ARG A 21 1.665 -2.664 -6.863 1.00 0.00 H new ATOM 0 HB2 ARG A 21 1.946 -1.674 -9.710 1.00 0.00 H new ATOM 0 HB3 ARG A 21 1.940 -0.574 -8.346 1.00 0.00 H new ATOM 0 HG2 ARG A 21 3.886 -1.939 -7.396 1.00 0.00 H new ATOM 0 HG3 ARG A 21 3.960 -2.751 -8.947 1.00 0.00 H new ATOM 0 HD2 ARG A 21 4.786 -0.007 -8.214 1.00 0.00 H new ATOM 0 HD3 ARG A 21 5.378 -1.047 -9.494 1.00 0.00 H new ATOM 0 HE ARG A 21 2.684 0.052 -9.954 1.00 0.00 H new ATOM 0 HH11 ARG A 21 6.163 0.362 -10.546 1.00 0.00 H new ATOM 0 HH12 ARG A 21 5.939 1.504 -11.875 1.00 0.00 H new ATOM 0 HH21 ARG A 21 2.420 1.507 -11.636 1.00 0.00 H new ATOM 0 HH22 ARG A 21 3.826 2.149 -12.491 1.00 0.00 H new ATOM 371 N SER A 22 -0.840 -2.042 -8.940 1.00 0.00 N ATOM 372 CA SER A 22 -2.196 -1.514 -9.019 1.00 0.00 C ATOM 373 C SER A 22 -3.118 -2.252 -8.054 1.00 0.00 C ATOM 374 O SER A 22 -3.920 -1.637 -7.346 1.00 0.00 O ATOM 375 CB SER A 22 -2.718 -1.640 -10.449 1.00 0.00 C ATOM 376 OG SER A 22 -1.858 -0.982 -11.368 1.00 0.00 O ATOM 0 H SER A 22 -0.497 -2.454 -9.808 1.00 0.00 H new ATOM 0 HA SER A 22 -2.178 -0.461 -8.737 1.00 0.00 H new ATOM 0 HB2 SER A 22 -2.803 -2.693 -10.717 1.00 0.00 H new ATOM 0 HB3 SER A 22 -3.719 -1.213 -10.513 1.00 0.00 H new ATOM 0 HG SER A 22 -2.214 -1.079 -12.276 1.00 0.00 H new ATOM 382 N GLN A 23 -2.985 -3.573 -8.026 1.00 0.00 N ATOM 383 CA GLN A 23 -3.763 -4.408 -7.126 1.00 0.00 C ATOM 384 C GLN A 23 -3.462 -4.049 -5.671 1.00 0.00 C ATOM 385 O GLN A 23 -4.373 -3.826 -4.868 1.00 0.00 O ATOM 386 CB GLN A 23 -3.439 -5.881 -7.381 1.00 0.00 C ATOM 387 CG GLN A 23 -4.280 -6.844 -6.564 1.00 0.00 C ATOM 388 CD GLN A 23 -5.747 -6.794 -6.935 1.00 0.00 C ATOM 389 OE1 GLN A 23 -6.518 -6.012 -6.378 1.00 0.00 O ATOM 390 NE2 GLN A 23 -6.138 -7.629 -7.882 1.00 0.00 N ATOM 0 H GLN A 23 -2.339 -4.090 -8.623 1.00 0.00 H new ATOM 0 HA GLN A 23 -4.823 -4.235 -7.312 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -3.582 -6.097 -8.440 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -2.386 -6.055 -7.160 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -3.907 -7.858 -6.707 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -4.168 -6.610 -5.505 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -5.464 -8.260 -8.316 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -7.114 -7.643 -8.179 1.00 0.00 H new ATOM 399 N ALA A 24 -2.175 -3.980 -5.347 1.00 0.00 N ATOM 400 CA ALA A 24 -1.748 -3.648 -4.002 1.00 0.00 C ATOM 401 C ALA A 24 -2.220 -2.258 -3.616 1.00 0.00 C ATOM 402 O ALA A 24 -2.785 -2.078 -2.548 1.00 0.00 O ATOM 403 CB ALA A 24 -0.237 -3.752 -3.875 1.00 0.00 C ATOM 0 H ALA A 24 -1.412 -4.151 -6.002 1.00 0.00 H new ATOM 0 HA ALA A 24 -2.199 -4.366 -3.317 1.00 0.00 H new ATOM 0 HB1 ALA A 24 0.061 -3.499 -2.858 1.00 0.00 H new ATOM 0 HB2 ALA A 24 0.078 -4.770 -4.102 1.00 0.00 H new ATOM 0 HB3 ALA A 24 0.235 -3.062 -4.574 1.00 0.00 H new ATOM 409 N LYS A 25 -2.005 -1.290 -4.506 1.00 0.00 N ATOM 410 CA LYS A 25 -2.390 0.098 -4.263 1.00 0.00 C ATOM 411 C LYS A 25 -3.854 0.193 -3.843 1.00 0.00 C ATOM 412 O LYS A 25 -4.192 0.890 -2.885 1.00 0.00 O ATOM 413 CB LYS A 25 -2.152 0.938 -5.521 1.00 0.00 C ATOM 414 CG LYS A 25 -2.427 2.420 -5.327 1.00 0.00 C ATOM 415 CD LYS A 25 -2.109 3.220 -6.580 1.00 0.00 C ATOM 416 CE LYS A 25 -2.153 4.721 -6.314 1.00 0.00 C ATOM 417 NZ LYS A 25 -3.517 5.199 -5.960 1.00 0.00 N ATOM 0 H LYS A 25 -1.561 -1.445 -5.411 1.00 0.00 H new ATOM 0 HA LYS A 25 -1.774 0.485 -3.451 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -1.119 0.808 -5.844 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -2.786 0.562 -6.324 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -3.474 2.564 -5.059 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -1.831 2.795 -4.495 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -1.121 2.944 -6.948 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -2.823 2.968 -7.364 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -1.465 4.963 -5.504 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -1.803 5.254 -7.198 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -3.452 6.137 -5.516 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -4.097 5.263 -6.821 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -3.957 4.531 -5.295 1.00 0.00 H new ATOM 431 N ALA A 26 -4.708 -0.534 -4.553 1.00 0.00 N ATOM 432 CA ALA A 26 -6.134 -0.552 -4.265 1.00 0.00 C ATOM 433 C ALA A 26 -6.399 -1.047 -2.846 1.00 0.00 C ATOM 434 O ALA A 26 -7.243 -0.498 -2.135 1.00 0.00 O ATOM 435 CB ALA A 26 -6.859 -1.423 -5.277 1.00 0.00 C ATOM 0 H ALA A 26 -4.433 -1.123 -5.339 1.00 0.00 H new ATOM 0 HA ALA A 26 -6.513 0.467 -4.341 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -7.926 -1.430 -5.053 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -6.701 -1.024 -6.279 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -6.471 -2.440 -5.226 1.00 0.00 H new ATOM 441 N ARG A 27 -5.676 -2.082 -2.432 1.00 0.00 N ATOM 442 CA ARG A 27 -5.845 -2.621 -1.089 1.00 0.00 C ATOM 443 C ARG A 27 -5.183 -1.719 -0.050 1.00 0.00 C ATOM 444 O ARG A 27 -5.697 -1.564 1.050 1.00 0.00 O ATOM 445 CB ARG A 27 -5.292 -4.045 -0.983 1.00 0.00 C ATOM 446 CG ARG A 27 -5.568 -4.693 0.367 1.00 0.00 C ATOM 447 CD ARG A 27 -5.200 -6.166 0.373 1.00 0.00 C ATOM 448 NE ARG A 27 -5.466 -6.790 1.671 1.00 0.00 N ATOM 449 CZ ARG A 27 -5.834 -8.063 1.832 1.00 0.00 C ATOM 450 NH1 ARG A 27 -6.020 -8.848 0.778 1.00 0.00 N ATOM 451 NH2 ARG A 27 -6.027 -8.552 3.051 1.00 0.00 N ATOM 0 H ARG A 27 -4.976 -2.559 -3.000 1.00 0.00 H new ATOM 0 HA ARG A 27 -6.915 -2.657 -0.887 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -5.730 -4.658 -1.770 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -4.216 -4.025 -1.157 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -5.003 -4.174 1.141 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -6.624 -4.581 0.614 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -5.765 -6.684 -0.402 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -4.144 -6.277 0.126 1.00 0.00 H new ATOM 0 HE ARG A 27 -5.363 -6.214 2.507 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -5.882 -8.480 -0.163 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -6.301 -9.820 0.909 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -5.894 -7.955 3.867 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -6.308 -9.525 3.172 1.00 0.00 H new ATOM 465 N ILE A 28 -4.052 -1.121 -0.402 1.00 0.00 N ATOM 466 CA ILE A 28 -3.334 -0.224 0.502 1.00 0.00 C ATOM 467 C ILE A 28 -4.214 0.948 0.911 1.00 0.00 C ATOM 468 O ILE A 28 -4.409 1.214 2.098 1.00 0.00 O ATOM 469 CB ILE A 28 -2.047 0.321 -0.152 1.00 0.00 C ATOM 470 CG1 ILE A 28 -1.085 -0.827 -0.465 1.00 0.00 C ATOM 471 CG2 ILE A 28 -1.377 1.342 0.762 1.00 0.00 C ATOM 472 CD1 ILE A 28 0.062 -0.428 -1.365 1.00 0.00 C ATOM 0 H ILE A 28 -3.608 -1.240 -1.312 1.00 0.00 H new ATOM 0 HA ILE A 28 -3.066 -0.805 1.384 1.00 0.00 H new ATOM 0 HB ILE A 28 -2.314 0.816 -1.086 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -0.683 -1.218 0.470 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -1.641 -1.637 -0.937 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -0.471 1.717 0.286 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -2.061 2.171 0.944 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -1.120 0.869 1.710 1.00 0.00 H new ATOM 0 HD11 ILE A 28 0.702 -1.292 -1.543 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -0.330 -0.065 -2.315 1.00 0.00 H new ATOM 0 HD13 ILE A 28 0.642 0.361 -0.887 1.00 0.00 H new ATOM 484 N GLU A 29 -4.762 1.632 -0.082 1.00 0.00 N ATOM 485 CA GLU A 29 -5.616 2.782 0.169 1.00 0.00 C ATOM 486 C GLU A 29 -6.941 2.334 0.786 1.00 0.00 C ATOM 487 O GLU A 29 -7.596 3.096 1.495 1.00 0.00 O ATOM 488 CB GLU A 29 -5.821 3.564 -1.132 1.00 0.00 C ATOM 489 CG GLU A 29 -4.502 4.059 -1.711 1.00 0.00 C ATOM 490 CD GLU A 29 -4.638 4.759 -3.049 1.00 0.00 C ATOM 491 OE1 GLU A 29 -4.997 4.093 -4.043 1.00 0.00 O ATOM 492 OE2 GLU A 29 -4.336 5.969 -3.126 1.00 0.00 O ATOM 0 H GLU A 29 -4.630 1.410 -1.069 1.00 0.00 H new ATOM 0 HA GLU A 29 -5.136 3.447 0.887 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -6.322 2.929 -1.862 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -6.477 4.414 -0.945 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -4.040 4.744 -1.000 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -3.826 3.211 -1.823 1.00 0.00 H new ATOM 499 N GLN A 30 -7.312 1.080 0.541 1.00 0.00 N ATOM 500 CA GLN A 30 -8.473 0.482 1.192 1.00 0.00 C ATOM 501 C GLN A 30 -8.186 0.265 2.679 1.00 0.00 C ATOM 502 O GLN A 30 -9.042 0.503 3.530 1.00 0.00 O ATOM 503 CB GLN A 30 -8.823 -0.849 0.528 1.00 0.00 C ATOM 504 CG GLN A 30 -10.127 -1.463 1.012 1.00 0.00 C ATOM 505 CD GLN A 30 -10.374 -2.826 0.401 1.00 0.00 C ATOM 506 OE1 GLN A 30 -10.953 -2.938 -0.679 1.00 0.00 O ATOM 507 NE2 GLN A 30 -9.948 -3.871 1.092 1.00 0.00 N ATOM 0 H GLN A 30 -6.825 0.458 -0.104 1.00 0.00 H new ATOM 0 HA GLN A 30 -9.321 1.160 1.089 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -8.883 -0.700 -0.550 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -8.013 -1.556 0.707 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -10.105 -1.551 2.098 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -10.955 -0.799 0.763 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -9.472 -3.733 1.984 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -10.095 -4.814 0.733 1.00 0.00 H new ATOM 516 N LEU A 31 -6.970 -0.183 2.981 1.00 0.00 N ATOM 517 CA LEU A 31 -6.536 -0.399 4.358 1.00 0.00 C ATOM 518 C LEU A 31 -6.485 0.925 5.116 1.00 0.00 C ATOM 519 O LEU A 31 -6.755 0.979 6.317 1.00 0.00 O ATOM 520 CB LEU A 31 -5.164 -1.084 4.385 1.00 0.00 C ATOM 521 CG LEU A 31 -5.138 -2.501 3.805 1.00 0.00 C ATOM 522 CD1 LEU A 31 -3.709 -2.983 3.622 1.00 0.00 C ATOM 523 CD2 LEU A 31 -5.911 -3.453 4.705 1.00 0.00 C ATOM 0 H LEU A 31 -6.261 -0.405 2.282 1.00 0.00 H new ATOM 0 HA LEU A 31 -7.259 -1.051 4.850 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -4.456 -0.468 3.831 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -4.814 -1.123 5.417 1.00 0.00 H new ATOM 0 HG LEU A 31 -5.617 -2.481 2.826 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -3.715 -3.992 3.209 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -3.184 -2.315 2.939 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -3.201 -2.989 4.586 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -5.885 -4.457 4.281 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -5.457 -3.466 5.696 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -6.946 -3.120 4.784 1.00 0.00 H new ATOM 535 N ALA A 32 -6.150 1.991 4.401 1.00 0.00 N ATOM 536 CA ALA A 32 -6.168 3.329 4.974 1.00 0.00 C ATOM 537 C ALA A 32 -7.599 3.741 5.302 1.00 0.00 C ATOM 538 O ALA A 32 -7.851 4.394 6.312 1.00 0.00 O ATOM 539 CB ALA A 32 -5.520 4.322 4.029 1.00 0.00 C ATOM 0 H ALA A 32 -5.863 1.954 3.423 1.00 0.00 H new ATOM 0 HA ALA A 32 -5.592 3.322 5.900 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -5.543 5.317 4.475 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -4.486 4.030 3.847 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -6.065 4.335 3.085 1.00 0.00 H new ATOM 545 N ARG A 33 -8.539 3.338 4.448 1.00 0.00 N ATOM 546 CA ARG A 33 -9.958 3.572 4.699 1.00 0.00 C ATOM 547 C ARG A 33 -10.417 2.776 5.917 1.00 0.00 C ATOM 548 O ARG A 33 -11.247 3.238 6.700 1.00 0.00 O ATOM 549 CB ARG A 33 -10.800 3.168 3.486 1.00 0.00 C ATOM 550 CG ARG A 33 -10.499 3.947 2.217 1.00 0.00 C ATOM 551 CD ARG A 33 -10.799 5.427 2.381 1.00 0.00 C ATOM 552 NE ARG A 33 -10.719 6.134 1.107 1.00 0.00 N ATOM 553 CZ ARG A 33 -11.038 7.414 0.932 1.00 0.00 C ATOM 554 NH1 ARG A 33 -11.372 8.175 1.966 1.00 0.00 N ATOM 555 NH2 ARG A 33 -10.999 7.935 -0.283 1.00 0.00 N ATOM 0 H ARG A 33 -8.342 2.847 3.576 1.00 0.00 H new ATOM 0 HA ARG A 33 -10.094 4.637 4.886 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -10.645 2.107 3.290 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -11.854 3.296 3.733 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -9.450 3.816 1.950 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -11.090 3.545 1.394 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -11.795 5.552 2.806 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -10.094 5.866 3.087 1.00 0.00 H new ATOM 0 HE ARG A 33 -10.396 5.610 0.294 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -11.386 7.780 2.906 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -11.615 9.155 1.821 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -10.726 7.356 -1.077 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -11.242 8.915 -0.426 1.00 0.00 H new ATOM 569 N GLN A 34 -9.865 1.576 6.057 1.00 0.00 N ATOM 570 CA GLN A 34 -10.132 0.717 7.206 1.00 0.00 C ATOM 571 C GLN A 34 -9.682 1.396 8.498 1.00 0.00 C ATOM 572 O GLN A 34 -10.368 1.335 9.523 1.00 0.00 O ATOM 573 CB GLN A 34 -9.402 -0.616 7.024 1.00 0.00 C ATOM 574 CG GLN A 34 -9.552 -1.581 8.188 1.00 0.00 C ATOM 575 CD GLN A 34 -8.752 -2.853 7.976 1.00 0.00 C ATOM 576 OE1 GLN A 34 -9.250 -3.826 7.411 1.00 0.00 O ATOM 577 NE2 GLN A 34 -7.506 -2.854 8.425 1.00 0.00 N ATOM 0 H GLN A 34 -9.220 1.171 5.378 1.00 0.00 H new ATOM 0 HA GLN A 34 -11.204 0.535 7.274 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -9.772 -1.098 6.119 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -8.342 -0.417 6.868 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -9.224 -1.095 9.107 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -10.605 -1.832 8.318 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -7.130 -2.027 8.888 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -6.922 -3.682 8.308 1.00 0.00 H new ATOM 586 N ALA A 35 -8.532 2.048 8.435 1.00 0.00 N ATOM 587 CA ALA A 35 -8.008 2.803 9.564 1.00 0.00 C ATOM 588 C ALA A 35 -8.704 4.157 9.669 1.00 0.00 C ATOM 589 O ALA A 35 -8.571 4.857 10.673 1.00 0.00 O ATOM 590 CB ALA A 35 -6.504 2.983 9.420 1.00 0.00 C ATOM 0 H ALA A 35 -7.938 2.070 7.606 1.00 0.00 H new ATOM 0 HA ALA A 35 -8.205 2.246 10.480 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -6.122 3.549 10.270 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -6.022 2.006 9.389 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -6.289 3.523 8.498 1.00 0.00 H new ATOM 596 N GLU A 36 -9.445 4.509 8.618 1.00 0.00 N ATOM 597 CA GLU A 36 -10.193 5.763 8.551 1.00 0.00 C ATOM 598 C GLU A 36 -9.255 6.963 8.486 1.00 0.00 C ATOM 599 O GLU A 36 -9.533 8.024 9.044 1.00 0.00 O ATOM 600 CB GLU A 36 -11.158 5.880 9.733 1.00 0.00 C ATOM 601 CG GLU A 36 -12.318 4.904 9.648 1.00 0.00 C ATOM 602 CD GLU A 36 -13.192 4.921 10.880 1.00 0.00 C ATOM 603 OE1 GLU A 36 -13.620 6.017 11.297 1.00 0.00 O ATOM 604 OE2 GLU A 36 -13.470 3.834 11.428 1.00 0.00 O ATOM 0 H GLU A 36 -9.543 3.928 7.785 1.00 0.00 H new ATOM 0 HA GLU A 36 -10.781 5.756 7.633 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -10.611 5.707 10.660 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -11.548 6.897 9.778 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -12.925 5.144 8.775 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -11.929 3.897 9.499 1.00 0.00 H new ATOM 611 N GLN A 37 -8.152 6.791 7.771 1.00 0.00 N ATOM 612 CA GLN A 37 -7.194 7.864 7.561 1.00 0.00 C ATOM 613 C GLN A 37 -6.945 8.045 6.066 1.00 0.00 C ATOM 614 O GLN A 37 -6.981 7.082 5.305 1.00 0.00 O ATOM 615 CB GLN A 37 -5.885 7.569 8.306 1.00 0.00 C ATOM 616 CG GLN A 37 -5.257 6.236 7.938 1.00 0.00 C ATOM 617 CD GLN A 37 -4.076 5.872 8.817 1.00 0.00 C ATOM 618 OE1 GLN A 37 -4.008 6.251 9.987 1.00 0.00 O ATOM 619 NE2 GLN A 37 -3.135 5.134 8.256 1.00 0.00 N ATOM 0 H GLN A 37 -7.898 5.910 7.324 1.00 0.00 H new ATOM 0 HA GLN A 37 -7.602 8.792 7.961 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -5.171 8.366 8.097 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -6.077 7.586 9.379 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -6.012 5.453 8.011 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -4.932 6.269 6.898 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -3.229 4.840 7.284 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -2.314 4.858 8.795 1.00 0.00 H new ATOM 628 N ASP A 38 -6.700 9.279 5.646 1.00 0.00 N ATOM 629 CA ASP A 38 -6.536 9.583 4.224 1.00 0.00 C ATOM 630 C ASP A 38 -5.065 9.548 3.834 1.00 0.00 C ATOM 631 O ASP A 38 -4.674 10.035 2.771 1.00 0.00 O ATOM 632 CB ASP A 38 -7.140 10.950 3.890 1.00 0.00 C ATOM 633 CG ASP A 38 -8.609 11.046 4.261 1.00 0.00 C ATOM 634 OD1 ASP A 38 -8.912 11.282 5.449 1.00 0.00 O ATOM 635 OD2 ASP A 38 -9.471 10.908 3.366 1.00 0.00 O ATOM 0 H ASP A 38 -6.610 10.085 6.264 1.00 0.00 H new ATOM 0 HA ASP A 38 -7.065 8.821 3.652 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -6.585 11.727 4.416 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -7.025 11.143 2.823 1.00 0.00 H new ATOM 640 N ILE A 39 -4.256 8.957 4.700 1.00 0.00 N ATOM 641 CA ILE A 39 -2.821 8.848 4.487 1.00 0.00 C ATOM 642 C ILE A 39 -2.395 7.394 4.626 1.00 0.00 C ATOM 643 O ILE A 39 -2.833 6.702 5.547 1.00 0.00 O ATOM 644 CB ILE A 39 -2.038 9.706 5.509 1.00 0.00 C ATOM 645 CG1 ILE A 39 -2.495 11.166 5.449 1.00 0.00 C ATOM 646 CG2 ILE A 39 -0.539 9.607 5.259 1.00 0.00 C ATOM 647 CD1 ILE A 39 -1.860 12.046 6.505 1.00 0.00 C ATOM 0 H ILE A 39 -4.577 8.538 5.573 1.00 0.00 H new ATOM 0 HA ILE A 39 -2.597 9.212 3.484 1.00 0.00 H new ATOM 0 HB ILE A 39 -2.246 9.320 6.507 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -2.262 11.570 4.464 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -3.579 11.203 5.561 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -0.007 10.218 5.989 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -0.222 8.569 5.355 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -0.313 9.964 4.254 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -2.231 13.065 6.400 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -2.114 11.667 7.495 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -0.777 12.040 6.381 1.00 0.00 H new ATOM 659 N VAL A 40 -1.559 6.925 3.714 1.00 0.00 N ATOM 660 CA VAL A 40 -1.079 5.557 3.780 1.00 0.00 C ATOM 661 C VAL A 40 0.353 5.513 4.307 1.00 0.00 C ATOM 662 O VAL A 40 1.191 6.353 3.958 1.00 0.00 O ATOM 663 CB VAL A 40 -1.149 4.841 2.414 1.00 0.00 C ATOM 664 CG1 VAL A 40 -2.565 4.869 1.861 1.00 0.00 C ATOM 665 CG2 VAL A 40 -0.175 5.452 1.424 1.00 0.00 C ATOM 0 H VAL A 40 -1.202 7.466 2.927 1.00 0.00 H new ATOM 0 HA VAL A 40 -1.739 5.028 4.467 1.00 0.00 H new ATOM 0 HB VAL A 40 -0.862 3.801 2.568 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -2.590 4.359 0.898 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -3.237 4.365 2.556 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -2.885 5.903 1.732 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -0.247 4.927 0.471 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -0.417 6.505 1.277 1.00 0.00 H new ATOM 0 HG23 VAL A 40 0.840 5.364 1.811 1.00 0.00 H new ATOM 675 N THR A 41 0.620 4.546 5.163 1.00 0.00 N ATOM 676 CA THR A 41 1.944 4.368 5.723 1.00 0.00 C ATOM 677 C THR A 41 2.709 3.304 4.941 1.00 0.00 C ATOM 678 O THR A 41 2.103 2.475 4.254 1.00 0.00 O ATOM 679 CB THR A 41 1.853 3.957 7.203 1.00 0.00 C ATOM 680 OG1 THR A 41 0.983 2.826 7.334 1.00 0.00 O ATOM 681 CG2 THR A 41 1.334 5.107 8.053 1.00 0.00 C ATOM 0 H THR A 41 -0.069 3.867 5.487 1.00 0.00 H new ATOM 0 HA THR A 41 2.476 5.317 5.652 1.00 0.00 H new ATOM 0 HB THR A 41 2.851 3.695 7.553 1.00 0.00 H new ATOM 0 HG1 THR A 41 0.927 2.564 8.277 1.00 0.00 H new ATOM 0 HG21 THR A 41 1.278 4.793 9.095 1.00 0.00 H new ATOM 0 HG22 THR A 41 2.010 5.958 7.966 1.00 0.00 H new ATOM 0 HG23 THR A 41 0.341 5.396 7.707 1.00 0.00 H new ATOM 689 N PRO A 42 4.047 3.308 5.032 1.00 0.00 N ATOM 690 CA PRO A 42 4.884 2.322 4.343 1.00 0.00 C ATOM 691 C PRO A 42 4.574 0.897 4.790 1.00 0.00 C ATOM 692 O PRO A 42 4.667 -0.048 4.009 1.00 0.00 O ATOM 693 CB PRO A 42 6.311 2.703 4.751 1.00 0.00 C ATOM 694 CG PRO A 42 6.154 3.541 5.973 1.00 0.00 C ATOM 695 CD PRO A 42 4.855 4.268 5.801 1.00 0.00 C ATOM 0 HA PRO A 42 4.720 2.335 3.266 1.00 0.00 H new ATOM 0 HB2 PRO A 42 6.913 1.817 4.955 1.00 0.00 H new ATOM 0 HB3 PRO A 42 6.814 3.254 3.957 1.00 0.00 H new ATOM 0 HG2 PRO A 42 6.142 2.924 6.872 1.00 0.00 H new ATOM 0 HG3 PRO A 42 6.983 4.240 6.078 1.00 0.00 H new ATOM 0 HD2 PRO A 42 4.395 4.508 6.760 1.00 0.00 H new ATOM 0 HD3 PRO A 42 4.985 5.208 5.266 1.00 0.00 H new ATOM 703 N GLU A 43 4.185 0.758 6.051 1.00 0.00 N ATOM 704 CA GLU A 43 3.897 -0.546 6.622 1.00 0.00 C ATOM 705 C GLU A 43 2.554 -1.075 6.122 1.00 0.00 C ATOM 706 O GLU A 43 2.338 -2.283 6.076 1.00 0.00 O ATOM 707 CB GLU A 43 3.920 -0.470 8.149 1.00 0.00 C ATOM 708 CG GLU A 43 5.236 0.062 8.704 1.00 0.00 C ATOM 709 CD GLU A 43 6.439 -0.752 8.265 1.00 0.00 C ATOM 710 OE1 GLU A 43 7.004 -0.464 7.191 1.00 0.00 O ATOM 711 OE2 GLU A 43 6.836 -1.674 9.003 1.00 0.00 O ATOM 0 H GLU A 43 4.062 1.537 6.698 1.00 0.00 H new ATOM 0 HA GLU A 43 4.670 -1.244 6.299 1.00 0.00 H new ATOM 0 HB2 GLU A 43 3.105 0.171 8.487 1.00 0.00 H new ATOM 0 HB3 GLU A 43 3.735 -1.463 8.559 1.00 0.00 H new ATOM 0 HG2 GLU A 43 5.367 1.095 8.383 1.00 0.00 H new ATOM 0 HG3 GLU A 43 5.188 0.070 9.793 1.00 0.00 H new ATOM 718 N LEU A 44 1.659 -0.169 5.741 1.00 0.00 N ATOM 719 CA LEU A 44 0.408 -0.560 5.106 1.00 0.00 C ATOM 720 C LEU A 44 0.687 -1.130 3.725 1.00 0.00 C ATOM 721 O LEU A 44 0.101 -2.135 3.321 1.00 0.00 O ATOM 722 CB LEU A 44 -0.543 0.633 4.998 1.00 0.00 C ATOM 723 CG LEU A 44 -1.745 0.589 5.939 1.00 0.00 C ATOM 724 CD1 LEU A 44 -1.298 0.448 7.384 1.00 0.00 C ATOM 725 CD2 LEU A 44 -2.604 1.834 5.766 1.00 0.00 C ATOM 0 H LEU A 44 1.777 0.837 5.861 1.00 0.00 H new ATOM 0 HA LEU A 44 -0.069 -1.323 5.721 1.00 0.00 H new ATOM 0 HB2 LEU A 44 0.020 1.546 5.195 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -0.906 0.697 3.972 1.00 0.00 H new ATOM 0 HG LEU A 44 -2.344 -0.285 5.682 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -2.172 0.419 8.034 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -0.729 -0.474 7.500 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -0.672 1.298 7.656 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -3.456 1.785 6.444 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -2.010 2.720 5.992 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -2.962 1.889 4.738 1.00 0.00 H new ATOM 737 N VAL A 45 1.599 -0.485 3.010 1.00 0.00 N ATOM 738 CA VAL A 45 2.046 -0.979 1.715 1.00 0.00 C ATOM 739 C VAL A 45 2.743 -2.325 1.892 1.00 0.00 C ATOM 740 O VAL A 45 2.528 -3.259 1.119 1.00 0.00 O ATOM 741 CB VAL A 45 3.013 0.010 1.038 1.00 0.00 C ATOM 742 CG1 VAL A 45 3.373 -0.464 -0.360 1.00 0.00 C ATOM 743 CG2 VAL A 45 2.409 1.405 0.994 1.00 0.00 C ATOM 0 H VAL A 45 2.045 0.384 3.306 1.00 0.00 H new ATOM 0 HA VAL A 45 1.169 -1.091 1.077 1.00 0.00 H new ATOM 0 HB VAL A 45 3.928 0.053 1.629 1.00 0.00 H new ATOM 0 HG11 VAL A 45 4.057 0.249 -0.821 1.00 0.00 H new ATOM 0 HG12 VAL A 45 3.853 -1.441 -0.301 1.00 0.00 H new ATOM 0 HG13 VAL A 45 2.468 -0.540 -0.963 1.00 0.00 H new ATOM 0 HG21 VAL A 45 3.108 2.089 0.512 1.00 0.00 H new ATOM 0 HG22 VAL A 45 1.477 1.380 0.429 1.00 0.00 H new ATOM 0 HG23 VAL A 45 2.209 1.747 2.009 1.00 0.00 H new ATOM 753 N GLU A 46 3.571 -2.403 2.932 1.00 0.00 N ATOM 754 CA GLU A 46 4.230 -3.643 3.319 1.00 0.00 C ATOM 755 C GLU A 46 3.193 -4.737 3.537 1.00 0.00 C ATOM 756 O GLU A 46 3.223 -5.774 2.875 1.00 0.00 O ATOM 757 CB GLU A 46 5.041 -3.414 4.603 1.00 0.00 C ATOM 758 CG GLU A 46 5.826 -4.625 5.085 1.00 0.00 C ATOM 759 CD GLU A 46 6.920 -5.036 4.125 1.00 0.00 C ATOM 760 OE1 GLU A 46 7.371 -4.190 3.322 1.00 0.00 O ATOM 761 OE2 GLU A 46 7.338 -6.209 4.161 1.00 0.00 O ATOM 0 H GLU A 46 3.802 -1.608 3.528 1.00 0.00 H new ATOM 0 HA GLU A 46 4.905 -3.958 2.523 1.00 0.00 H new ATOM 0 HB2 GLU A 46 5.736 -2.591 4.435 1.00 0.00 H new ATOM 0 HB3 GLU A 46 4.361 -3.101 5.395 1.00 0.00 H new ATOM 0 HG2 GLU A 46 6.267 -4.403 6.057 1.00 0.00 H new ATOM 0 HG3 GLU A 46 5.142 -5.462 5.229 1.00 0.00 H new ATOM 768 N GLN A 47 2.255 -4.468 4.441 1.00 0.00 N ATOM 769 CA GLN A 47 1.211 -5.422 4.790 1.00 0.00 C ATOM 770 C GLN A 47 0.443 -5.880 3.556 1.00 0.00 C ATOM 771 O GLN A 47 0.230 -7.073 3.364 1.00 0.00 O ATOM 772 CB GLN A 47 0.242 -4.803 5.799 1.00 0.00 C ATOM 773 CG GLN A 47 -0.833 -5.763 6.278 1.00 0.00 C ATOM 774 CD GLN A 47 -0.258 -6.962 7.004 1.00 0.00 C ATOM 775 OE1 GLN A 47 0.789 -6.872 7.647 1.00 0.00 O ATOM 776 NE2 GLN A 47 -0.923 -8.096 6.894 1.00 0.00 N ATOM 0 H GLN A 47 2.199 -3.586 4.950 1.00 0.00 H new ATOM 0 HA GLN A 47 1.693 -6.292 5.237 1.00 0.00 H new ATOM 0 HB2 GLN A 47 0.807 -4.445 6.660 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -0.235 -3.934 5.346 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -1.518 -5.235 6.941 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -1.417 -6.105 5.424 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -1.787 -8.130 6.353 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -0.573 -8.939 7.350 1.00 0.00 H new ATOM 785 N ALA A 48 0.043 -4.932 2.720 1.00 0.00 N ATOM 786 CA ALA A 48 -0.701 -5.253 1.510 1.00 0.00 C ATOM 787 C ALA A 48 0.107 -6.164 0.594 1.00 0.00 C ATOM 788 O ALA A 48 -0.435 -7.091 -0.006 1.00 0.00 O ATOM 789 CB ALA A 48 -1.106 -3.987 0.779 1.00 0.00 C ATOM 0 H ALA A 48 0.221 -3.937 2.857 1.00 0.00 H new ATOM 0 HA ALA A 48 -1.605 -5.787 1.804 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -1.661 -4.249 -0.122 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -1.735 -3.377 1.428 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -0.214 -3.424 0.505 1.00 0.00 H new ATOM 795 N ARG A 49 1.409 -5.924 0.518 1.00 0.00 N ATOM 796 CA ARG A 49 2.270 -6.716 -0.346 1.00 0.00 C ATOM 797 C ARG A 49 2.536 -8.074 0.302 1.00 0.00 C ATOM 798 O ARG A 49 2.845 -9.054 -0.376 1.00 0.00 O ATOM 799 CB ARG A 49 3.582 -5.974 -0.633 1.00 0.00 C ATOM 800 CG ARG A 49 4.470 -6.671 -1.653 1.00 0.00 C ATOM 801 CD ARG A 49 5.685 -7.310 -1.002 1.00 0.00 C ATOM 802 NE ARG A 49 6.820 -6.391 -0.926 1.00 0.00 N ATOM 803 CZ ARG A 49 7.157 -5.701 0.161 1.00 0.00 C ATOM 804 NH1 ARG A 49 6.401 -5.757 1.246 1.00 0.00 N ATOM 805 NH2 ARG A 49 8.247 -4.948 0.158 1.00 0.00 N ATOM 0 H ARG A 49 1.889 -5.192 1.041 1.00 0.00 H new ATOM 0 HA ARG A 49 1.768 -6.876 -1.300 1.00 0.00 H new ATOM 0 HB2 ARG A 49 3.351 -4.971 -0.992 1.00 0.00 H new ATOM 0 HB3 ARG A 49 4.135 -5.860 0.299 1.00 0.00 H new ATOM 0 HG2 ARG A 49 3.894 -7.435 -2.175 1.00 0.00 H new ATOM 0 HG3 ARG A 49 4.796 -5.951 -2.403 1.00 0.00 H new ATOM 0 HD2 ARG A 49 5.423 -7.645 0.002 1.00 0.00 H new ATOM 0 HD3 ARG A 49 5.974 -8.196 -1.568 1.00 0.00 H new ATOM 0 HE ARG A 49 7.392 -6.271 -1.762 1.00 0.00 H new ATOM 0 HH11 ARG A 49 5.557 -6.330 1.251 1.00 0.00 H new ATOM 0 HH12 ARG A 49 6.662 -5.227 2.077 1.00 0.00 H new ATOM 0 HH21 ARG A 49 8.829 -4.897 -0.678 1.00 0.00 H new ATOM 0 HH22 ARG A 49 8.504 -4.420 0.992 1.00 0.00 H new ATOM 819 N LEU A 50 2.407 -8.120 1.620 1.00 0.00 N ATOM 820 CA LEU A 50 2.538 -9.362 2.362 1.00 0.00 C ATOM 821 C LEU A 50 1.296 -10.219 2.142 1.00 0.00 C ATOM 822 O LEU A 50 1.387 -11.434 1.957 1.00 0.00 O ATOM 823 CB LEU A 50 2.723 -9.068 3.855 1.00 0.00 C ATOM 824 CG LEU A 50 3.779 -9.914 4.566 1.00 0.00 C ATOM 825 CD1 LEU A 50 3.428 -11.393 4.498 1.00 0.00 C ATOM 826 CD2 LEU A 50 5.149 -9.656 3.956 1.00 0.00 C ATOM 0 H LEU A 50 2.210 -7.304 2.200 1.00 0.00 H new ATOM 0 HA LEU A 50 3.414 -9.904 2.006 1.00 0.00 H new ATOM 0 HB2 LEU A 50 2.987 -8.017 3.971 1.00 0.00 H new ATOM 0 HB3 LEU A 50 1.767 -9.214 4.358 1.00 0.00 H new ATOM 0 HG LEU A 50 3.804 -9.627 5.617 1.00 0.00 H new ATOM 0 HD11 LEU A 50 4.195 -11.973 5.011 1.00 0.00 H new ATOM 0 HD12 LEU A 50 2.464 -11.561 4.979 1.00 0.00 H new ATOM 0 HD13 LEU A 50 3.373 -11.706 3.455 1.00 0.00 H new ATOM 0 HD21 LEU A 50 5.896 -10.263 4.468 1.00 0.00 H new ATOM 0 HD22 LEU A 50 5.132 -9.919 2.898 1.00 0.00 H new ATOM 0 HD23 LEU A 50 5.402 -8.601 4.064 1.00 0.00 H new ATOM 838 N GLU A 51 0.140 -9.560 2.147 1.00 0.00 N ATOM 839 CA GLU A 51 -1.138 -10.214 1.892 1.00 0.00 C ATOM 840 C GLU A 51 -1.094 -10.995 0.585 1.00 0.00 C ATOM 841 O GLU A 51 -1.365 -12.199 0.559 1.00 0.00 O ATOM 842 CB GLU A 51 -2.261 -9.175 1.824 1.00 0.00 C ATOM 843 CG GLU A 51 -2.512 -8.448 3.134 1.00 0.00 C ATOM 844 CD GLU A 51 -3.038 -9.360 4.221 1.00 0.00 C ATOM 845 OE1 GLU A 51 -3.515 -10.466 3.898 1.00 0.00 O ATOM 846 OE2 GLU A 51 -3.005 -8.961 5.403 1.00 0.00 O ATOM 0 H GLU A 51 0.064 -8.559 2.328 1.00 0.00 H new ATOM 0 HA GLU A 51 -1.332 -10.906 2.712 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -2.018 -8.442 1.055 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -3.181 -9.670 1.513 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -1.584 -7.986 3.471 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -3.226 -7.642 2.966 1.00 0.00 H new ATOM 853 N PHE A 52 -0.725 -10.309 -0.490 1.00 0.00 N ATOM 854 CA PHE A 52 -0.684 -10.927 -1.808 1.00 0.00 C ATOM 855 C PHE A 52 0.477 -11.912 -1.907 1.00 0.00 C ATOM 856 O PHE A 52 0.429 -12.858 -2.691 1.00 0.00 O ATOM 857 CB PHE A 52 -0.588 -9.865 -2.905 1.00 0.00 C ATOM 858 CG PHE A 52 -1.805 -8.985 -2.981 1.00 0.00 C ATOM 859 CD1 PHE A 52 -3.024 -9.503 -3.392 1.00 0.00 C ATOM 860 CD2 PHE A 52 -1.733 -7.646 -2.641 1.00 0.00 C ATOM 861 CE1 PHE A 52 -4.146 -8.700 -3.458 1.00 0.00 C ATOM 862 CE2 PHE A 52 -2.852 -6.838 -2.706 1.00 0.00 C ATOM 863 CZ PHE A 52 -4.059 -7.367 -3.114 1.00 0.00 C ATOM 0 H PHE A 52 -0.451 -9.327 -0.474 1.00 0.00 H new ATOM 0 HA PHE A 52 -1.613 -11.479 -1.952 1.00 0.00 H new ATOM 0 HB2 PHE A 52 0.291 -9.245 -2.727 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -0.442 -10.357 -3.867 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -3.097 -10.546 -3.663 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -0.791 -7.227 -2.321 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -5.090 -9.115 -3.778 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -2.782 -5.794 -2.438 1.00 0.00 H new ATOM 0 HZ PHE A 52 -4.935 -6.738 -3.164 1.00 0.00 H new ATOM 873 N GLY A 53 1.502 -11.696 -1.091 1.00 0.00 N ATOM 874 CA GLY A 53 2.614 -12.627 -1.025 1.00 0.00 C ATOM 875 C GLY A 53 2.173 -13.984 -0.513 1.00 0.00 C ATOM 876 O GLY A 53 2.619 -15.020 -1.004 1.00 0.00 O ATOM 0 H GLY A 53 1.583 -10.890 -0.472 1.00 0.00 H new ATOM 0 HA2 GLY A 53 3.057 -12.737 -2.015 1.00 0.00 H new ATOM 0 HA3 GLY A 53 3.388 -12.225 -0.372 1.00 0.00 H new ATOM 880 N GLN A 54 1.284 -13.970 0.473 1.00 0.00 N ATOM 881 CA GLN A 54 0.710 -15.195 1.015 1.00 0.00 C ATOM 882 C GLN A 54 -0.311 -15.793 0.053 1.00 0.00 C ATOM 883 O GLN A 54 -0.445 -17.014 -0.050 1.00 0.00 O ATOM 884 CB GLN A 54 0.054 -14.924 2.368 1.00 0.00 C ATOM 885 CG GLN A 54 1.048 -14.628 3.477 1.00 0.00 C ATOM 886 CD GLN A 54 1.932 -15.821 3.789 1.00 0.00 C ATOM 887 OE1 GLN A 54 3.014 -15.978 3.222 1.00 0.00 O ATOM 888 NE2 GLN A 54 1.464 -16.679 4.681 1.00 0.00 N ATOM 0 H GLN A 54 0.943 -13.117 0.916 1.00 0.00 H new ATOM 0 HA GLN A 54 1.519 -15.913 1.149 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -0.629 -14.080 2.269 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -0.547 -15.789 2.651 1.00 0.00 H new ATOM 0 HG2 GLN A 54 1.671 -13.782 3.187 1.00 0.00 H new ATOM 0 HG3 GLN A 54 0.508 -14.333 4.377 1.00 0.00 H new ATOM 0 HE21 GLN A 54 0.562 -16.510 5.127 1.00 0.00 H new ATOM 0 HE22 GLN A 54 2.005 -17.509 4.923 1.00 0.00 H new ATOM 897 N LEU A 55 -1.026 -14.929 -0.650 1.00 0.00 N ATOM 898 CA LEU A 55 -2.028 -15.367 -1.617 1.00 0.00 C ATOM 899 C LEU A 55 -1.369 -16.046 -2.811 1.00 0.00 C ATOM 900 O LEU A 55 -1.906 -17.004 -3.370 1.00 0.00 O ATOM 901 CB LEU A 55 -2.861 -14.175 -2.087 1.00 0.00 C ATOM 902 CG LEU A 55 -3.655 -13.472 -0.985 1.00 0.00 C ATOM 903 CD1 LEU A 55 -4.362 -12.246 -1.538 1.00 0.00 C ATOM 904 CD2 LEU A 55 -4.660 -14.429 -0.360 1.00 0.00 C ATOM 0 H LEU A 55 -0.933 -13.916 -0.571 1.00 0.00 H new ATOM 0 HA LEU A 55 -2.682 -16.090 -1.129 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -2.198 -13.449 -2.557 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -3.556 -14.516 -2.855 1.00 0.00 H new ATOM 0 HG LEU A 55 -2.959 -13.149 -0.211 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -4.922 -11.758 -0.740 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -3.625 -11.552 -1.941 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -5.047 -12.548 -2.330 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -5.216 -13.913 0.422 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -5.352 -14.781 -1.125 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -4.133 -15.280 0.071 1.00 0.00 H new ATOM 916 N GLU A 56 -0.199 -15.551 -3.188 1.00 0.00 N ATOM 917 CA GLU A 56 0.546 -16.112 -4.303 1.00 0.00 C ATOM 918 C GLU A 56 1.539 -17.161 -3.797 1.00 0.00 C ATOM 919 O GLU A 56 2.372 -17.673 -4.545 1.00 0.00 O ATOM 920 CB GLU A 56 1.251 -14.985 -5.071 1.00 0.00 C ATOM 921 CG GLU A 56 1.864 -15.410 -6.399 1.00 0.00 C ATOM 922 CD GLU A 56 0.926 -16.245 -7.251 1.00 0.00 C ATOM 923 OE1 GLU A 56 -0.290 -15.962 -7.277 1.00 0.00 O ATOM 924 OE2 GLU A 56 1.411 -17.193 -7.908 1.00 0.00 O ATOM 0 H GLU A 56 0.256 -14.758 -2.735 1.00 0.00 H new ATOM 0 HA GLU A 56 -0.138 -16.611 -4.989 1.00 0.00 H new ATOM 0 HB2 GLU A 56 0.534 -14.185 -5.256 1.00 0.00 H new ATOM 0 HB3 GLU A 56 2.036 -14.569 -4.440 1.00 0.00 H new ATOM 0 HG2 GLU A 56 2.157 -14.521 -6.957 1.00 0.00 H new ATOM 0 HG3 GLU A 56 2.773 -15.979 -6.206 1.00 0.00 H new ATOM 931 N HIS A 57 1.427 -17.492 -2.517 1.00 0.00 N ATOM 932 CA HIS A 57 2.247 -18.539 -1.928 1.00 0.00 C ATOM 933 C HIS A 57 1.579 -19.887 -2.181 1.00 0.00 C ATOM 934 O HIS A 57 0.481 -20.145 -1.688 1.00 0.00 O ATOM 935 CB HIS A 57 2.423 -18.300 -0.422 1.00 0.00 C ATOM 936 CG HIS A 57 3.633 -18.963 0.174 1.00 0.00 C ATOM 937 ND1 HIS A 57 4.504 -18.309 1.019 1.00 0.00 N ATOM 938 CD2 HIS A 57 4.111 -20.226 0.052 1.00 0.00 C ATOM 939 CE1 HIS A 57 5.462 -19.138 1.387 1.00 0.00 C ATOM 940 NE2 HIS A 57 5.248 -20.306 0.815 1.00 0.00 N ATOM 0 H HIS A 57 0.776 -17.050 -1.868 1.00 0.00 H new ATOM 0 HA HIS A 57 3.236 -18.530 -2.386 1.00 0.00 H new ATOM 0 HB2 HIS A 57 2.486 -17.227 -0.242 1.00 0.00 H new ATOM 0 HB3 HIS A 57 1.534 -18.659 0.097 1.00 0.00 H new ATOM 0 HD2 HIS A 57 3.677 -21.021 -0.536 1.00 0.00 H new ATOM 0 HE1 HIS A 57 6.284 -18.900 2.046 1.00 0.00 H new ATOM 0 HE2 HIS A 57 5.833 -21.135 0.922 1.00 0.00 H new ATOM 949 N HIS A 58 2.227 -20.730 -2.964 1.00 0.00 N ATOM 950 CA HIS A 58 1.645 -22.006 -3.359 1.00 0.00 C ATOM 951 C HIS A 58 2.062 -23.112 -2.400 1.00 0.00 C ATOM 952 O HIS A 58 3.252 -23.361 -2.208 1.00 0.00 O ATOM 953 CB HIS A 58 2.067 -22.369 -4.786 1.00 0.00 C ATOM 954 CG HIS A 58 1.588 -21.396 -5.819 1.00 0.00 C ATOM 955 ND1 HIS A 58 0.427 -21.574 -6.534 1.00 0.00 N ATOM 956 CD2 HIS A 58 2.117 -20.229 -6.252 1.00 0.00 C ATOM 957 CE1 HIS A 58 0.261 -20.560 -7.362 1.00 0.00 C ATOM 958 NE2 HIS A 58 1.272 -19.727 -7.212 1.00 0.00 N ATOM 0 H HIS A 58 3.159 -20.556 -3.341 1.00 0.00 H new ATOM 0 HA HIS A 58 0.560 -21.906 -3.324 1.00 0.00 H new ATOM 0 HB2 HIS A 58 3.155 -22.427 -4.831 1.00 0.00 H new ATOM 0 HB3 HIS A 58 1.684 -23.361 -5.028 1.00 0.00 H new ATOM 0 HD2 HIS A 58 3.034 -19.775 -5.907 1.00 0.00 H new ATOM 0 HE1 HIS A 58 -0.564 -20.434 -8.047 1.00 0.00 H new ATOM 0 HE2 HIS A 58 1.405 -18.855 -7.724 1.00 0.00 H new ATOM 967 N HIS A 59 1.084 -23.777 -1.799 1.00 0.00 N ATOM 968 CA HIS A 59 1.371 -24.861 -0.872 1.00 0.00 C ATOM 969 C HIS A 59 0.376 -26.009 -1.043 1.00 0.00 C ATOM 970 O HIS A 59 0.693 -27.016 -1.673 1.00 0.00 O ATOM 971 CB HIS A 59 1.363 -24.350 0.577 1.00 0.00 C ATOM 972 CG HIS A 59 1.866 -25.344 1.590 1.00 0.00 C ATOM 973 ND1 HIS A 59 1.994 -25.048 2.928 1.00 0.00 N ATOM 974 CD2 HIS A 59 2.261 -26.636 1.459 1.00 0.00 C ATOM 975 CE1 HIS A 59 2.443 -26.106 3.572 1.00 0.00 C ATOM 976 NE2 HIS A 59 2.613 -27.083 2.706 1.00 0.00 N ATOM 0 H HIS A 59 0.092 -23.586 -1.936 1.00 0.00 H new ATOM 0 HA HIS A 59 2.367 -25.242 -1.098 1.00 0.00 H new ATOM 0 HB2 HIS A 59 1.974 -23.449 0.635 1.00 0.00 H new ATOM 0 HB3 HIS A 59 0.346 -24.062 0.842 1.00 0.00 H new ATOM 0 HD2 HIS A 59 2.292 -27.206 0.542 1.00 0.00 H new ATOM 0 HE1 HIS A 59 2.639 -26.162 4.633 1.00 0.00 H new ATOM 0 HE2 HIS A 59 2.951 -28.020 2.927 1.00 0.00 H new ATOM 985 N HIS A 60 -0.832 -25.860 -0.503 1.00 0.00 N ATOM 986 CA HIS A 60 -1.782 -26.974 -0.472 1.00 0.00 C ATOM 987 C HIS A 60 -3.218 -26.513 -0.715 1.00 0.00 C ATOM 988 O HIS A 60 -4.161 -27.190 -0.302 1.00 0.00 O ATOM 989 CB HIS A 60 -1.697 -27.698 0.882 1.00 0.00 C ATOM 990 CG HIS A 60 -2.217 -26.900 2.050 1.00 0.00 C ATOM 991 ND1 HIS A 60 -3.480 -27.075 2.576 1.00 0.00 N ATOM 992 CD2 HIS A 60 -1.639 -25.923 2.791 1.00 0.00 C ATOM 993 CE1 HIS A 60 -3.655 -26.242 3.585 1.00 0.00 C ATOM 994 NE2 HIS A 60 -2.554 -25.532 3.736 1.00 0.00 N ATOM 0 H HIS A 60 -1.174 -24.994 -0.087 1.00 0.00 H new ATOM 0 HA HIS A 60 -1.510 -27.655 -1.278 1.00 0.00 H new ATOM 0 HB2 HIS A 60 -2.257 -28.631 0.817 1.00 0.00 H new ATOM 0 HB3 HIS A 60 -0.657 -27.963 1.073 1.00 0.00 H new ATOM 0 HD2 HIS A 60 -0.643 -25.526 2.662 1.00 0.00 H new ATOM 0 HE1 HIS A 60 -4.549 -26.156 4.185 1.00 0.00 H new ATOM 0 HE2 HIS A 60 -2.406 -24.810 4.441 1.00 0.00 H new ATOM 1003 N HIS A 61 -3.380 -25.379 -1.396 1.00 0.00 N ATOM 1004 CA HIS A 61 -4.709 -24.799 -1.622 1.00 0.00 C ATOM 1005 C HIS A 61 -5.325 -24.399 -0.283 1.00 0.00 C ATOM 1006 O HIS A 61 -4.605 -24.211 0.702 1.00 0.00 O ATOM 1007 CB HIS A 61 -5.640 -25.792 -2.341 1.00 0.00 C ATOM 1008 CG HIS A 61 -5.258 -26.101 -3.754 1.00 0.00 C ATOM 1009 ND1 HIS A 61 -5.954 -25.623 -4.840 1.00 0.00 N ATOM 1010 CD2 HIS A 61 -4.270 -26.876 -4.255 1.00 0.00 C ATOM 1011 CE1 HIS A 61 -5.418 -26.095 -5.946 1.00 0.00 C ATOM 1012 NE2 HIS A 61 -4.392 -26.858 -5.622 1.00 0.00 N ATOM 0 H HIS A 61 -2.612 -24.843 -1.801 1.00 0.00 H new ATOM 0 HA HIS A 61 -4.593 -23.921 -2.258 1.00 0.00 H new ATOM 0 HB2 HIS A 61 -5.663 -26.723 -1.774 1.00 0.00 H new ATOM 0 HB3 HIS A 61 -6.653 -25.389 -2.333 1.00 0.00 H new ATOM 0 HD2 HIS A 61 -3.524 -27.410 -3.686 1.00 0.00 H new ATOM 0 HE1 HIS A 61 -5.761 -25.892 -6.950 1.00 0.00 H new ATOM 0 HE2 HIS A 61 -3.789 -27.353 -6.279 1.00 0.00 H new ATOM 1021 N HIS A 62 -6.640 -24.250 -0.249 1.00 0.00 N ATOM 1022 CA HIS A 62 -7.344 -23.993 0.997 1.00 0.00 C ATOM 1023 C HIS A 62 -8.638 -24.801 1.036 1.00 0.00 C ATOM 1024 O HIS A 62 -9.725 -24.206 0.880 1.00 0.00 O ATOM 1025 CB HIS A 62 -7.640 -22.498 1.154 1.00 0.00 C ATOM 1026 CG HIS A 62 -8.198 -22.136 2.496 1.00 0.00 C ATOM 1027 ND1 HIS A 62 -9.523 -21.823 2.705 1.00 0.00 N ATOM 1028 CD2 HIS A 62 -7.598 -22.053 3.705 1.00 0.00 C ATOM 1029 CE1 HIS A 62 -9.712 -21.560 3.985 1.00 0.00 C ATOM 1030 NE2 HIS A 62 -8.561 -21.694 4.611 1.00 0.00 N ATOM 1031 OXT HIS A 62 -8.556 -26.037 1.187 1.00 0.00 O ATOM 0 H HIS A 62 -7.242 -24.303 -1.071 1.00 0.00 H new ATOM 0 HA HIS A 62 -6.709 -24.300 1.828 1.00 0.00 H new ATOM 0 HB2 HIS A 62 -6.722 -21.935 0.987 1.00 0.00 H new ATOM 0 HB3 HIS A 62 -8.346 -22.193 0.382 1.00 0.00 H new ATOM 0 HD2 HIS A 62 -6.555 -22.236 3.917 1.00 0.00 H new ATOM 0 HE1 HIS A 62 -10.651 -21.282 4.441 1.00 0.00 H new ATOM 0 HE2 HIS A 62 -8.411 -21.553 5.610 1.00 0.00 H new TER 1040 HIS A 62