USER MOD reduce.3.24.130724 H: found=0, std=0, add=374, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 371 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 104 HIS : no HD1:sc= -0.537 K(o=-3.6,f=-7.1!) USER MOD Set 1.2: A 127 THR OG1 : rot 140:sc= -0.0674 USER MOD Set 1.3: A 173 ASN : amide:sc= -1.66! C(o=-3.6!,f=-11!) USER MOD Set 1.4: A 174 HIS : no HE2:sc= -1.34 X(o=-3.6,f=-3.5) USER MOD Single : A 100 MET CE :methyl 158:sc= -0.32 (180deg=-1.09) USER MOD Single : A 105 GLN : amide:sc= -0.199 X(o=-0.2,f=0) USER MOD Single : A 107 THR OG1 : rot 180:sc= 0 USER MOD Single : A 113 SER OG : rot 180:sc= 0 USER MOD Single : A 114 HIS : no HD1:sc= -1.57 X(o=-1.6,f=-1.4) USER MOD Single : A 116 SER OG : rot 180:sc= -0.248 USER MOD Single : A 122 SER OG : rot 38:sc= 0.252 USER MOD Single : A 123 THR OG1 : rot -78:sc= 0.0425 USER MOD Single : A 124 HIS : no HD1:sc= -1.34 K(o=-1.3,f=-0.41) USER MOD Single : A 128 THR OG1 : rot -47:sc= -0.168 USER MOD Single : A 130 THR OG1 : rot 180:sc= -0.84 USER MOD Single : A 143 THR OG1 : rot 3:sc= 0.649 USER MOD Single : A 144 LYS NZ :NH3+ 144:sc= -1.18 (180deg=-4.27!) USER MOD Single : A 145 MET CE :methyl -127:sc= -0.849 (180deg=-1.87) USER MOD Single : A 147 HIS : no HD1:sc= -0.393 X(o=-0.39,f=-0.15) USER MOD Single : A 163 SER OG : rot 113:sc= 0.615 USER MOD Single : A 168 GLN : amide:sc= 0 X(o=0,f=-0.5) USER MOD Single : A 169 THR OG1 : rot 180:sc= -1.34 USER MOD Single : A 170 SER OG : rot 180:sc= -0.432 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 100 0.970 0.637 -0.220 1.00 0.00 N ATOM 2 CA MET A 100 1.891 0.489 -1.341 1.00 0.00 C ATOM 3 C MET A 100 1.857 -0.934 -1.889 1.00 0.00 C ATOM 4 O MET A 100 2.090 -1.896 -1.158 1.00 0.00 O ATOM 5 CB MET A 100 3.315 0.847 -0.910 1.00 0.00 C ATOM 6 CG MET A 100 4.371 0.495 -1.945 1.00 0.00 C ATOM 7 SD MET A 100 6.039 0.919 -1.408 1.00 0.00 S ATOM 8 CE MET A 100 6.131 0.032 0.145 1.00 0.00 C ATOM 0 HA MET A 100 1.575 1.171 -2.130 1.00 0.00 H new ATOM 0 HB2 MET A 100 3.365 1.916 -0.702 1.00 0.00 H new ATOM 0 HB3 MET A 100 3.545 0.330 0.021 1.00 0.00 H new ATOM 0 HG2 MET A 100 4.323 -0.573 -2.159 1.00 0.00 H new ATOM 0 HG3 MET A 100 4.150 1.017 -2.876 1.00 0.00 H new ATOM 0 HE1 MET A 100 7.176 -0.138 0.406 1.00 0.00 H new ATOM 0 HE2 MET A 100 5.652 0.619 0.928 1.00 0.00 H new ATOM 0 HE3 MET A 100 5.621 -0.927 0.047 1.00 0.00 H new ATOM 18 N ILE A 101 1.564 -1.059 -3.179 1.00 0.00 N ATOM 19 CA ILE A 101 1.499 -2.365 -3.824 1.00 0.00 C ATOM 20 C ILE A 101 2.163 -2.333 -5.197 1.00 0.00 C ATOM 21 O ILE A 101 2.690 -1.304 -5.619 1.00 0.00 O ATOM 22 CB ILE A 101 0.044 -2.845 -3.980 1.00 0.00 C ATOM 23 CG1 ILE A 101 -0.642 -2.096 -5.125 1.00 0.00 C ATOM 24 CG2 ILE A 101 -0.720 -2.651 -2.679 1.00 0.00 C ATOM 25 CD1 ILE A 101 -2.137 -2.320 -5.182 1.00 0.00 C ATOM 0 H ILE A 101 1.368 -0.272 -3.798 1.00 0.00 H new ATOM 0 HA ILE A 101 2.035 -3.062 -3.180 1.00 0.00 H new ATOM 0 HB ILE A 101 0.051 -3.909 -4.219 1.00 0.00 H new ATOM 0 HG12 ILE A 101 -0.446 -1.029 -5.019 1.00 0.00 H new ATOM 0 HG13 ILE A 101 -0.199 -2.409 -6.070 1.00 0.00 H new ATOM 0 HG21 ILE A 101 -1.747 -2.995 -2.805 1.00 0.00 H new ATOM 0 HG22 ILE A 101 -0.240 -3.225 -1.886 1.00 0.00 H new ATOM 0 HG23 ILE A 101 -0.722 -1.594 -2.412 1.00 0.00 H new ATOM 0 HD11 ILE A 101 -2.557 -1.759 -6.017 1.00 0.00 H new ATOM 0 HD12 ILE A 101 -2.341 -3.382 -5.319 1.00 0.00 H new ATOM 0 HD13 ILE A 101 -2.592 -1.980 -4.251 1.00 0.00 H new ATOM 37 N TRP A 102 2.130 -3.466 -5.889 1.00 0.00 N ATOM 38 CA TRP A 102 2.727 -3.567 -7.217 1.00 0.00 C ATOM 39 C TRP A 102 1.668 -3.409 -8.303 1.00 0.00 C ATOM 40 O TRP A 102 0.588 -3.994 -8.220 1.00 0.00 O ATOM 41 CB TRP A 102 3.443 -4.909 -7.375 1.00 0.00 C ATOM 42 CG TRP A 102 4.578 -5.095 -6.414 1.00 0.00 C ATOM 43 CD1 TRP A 102 4.497 -5.153 -5.052 1.00 0.00 C ATOM 44 CD2 TRP A 102 5.963 -5.244 -6.743 1.00 0.00 C ATOM 45 NE1 TRP A 102 5.749 -5.329 -4.514 1.00 0.00 N ATOM 46 CE2 TRP A 102 6.666 -5.389 -5.531 1.00 0.00 C ATOM 47 CE3 TRP A 102 6.678 -5.271 -7.943 1.00 0.00 C ATOM 48 CZ2 TRP A 102 8.047 -5.558 -5.487 1.00 0.00 C ATOM 49 CZ3 TRP A 102 8.049 -5.438 -7.898 1.00 0.00 C ATOM 50 CH2 TRP A 102 8.722 -5.580 -6.677 1.00 0.00 C ATOM 0 H TRP A 102 1.697 -4.327 -5.554 1.00 0.00 H new ATOM 0 HA TRP A 102 3.453 -2.761 -7.325 1.00 0.00 H new ATOM 0 HB2 TRP A 102 2.723 -5.715 -7.236 1.00 0.00 H new ATOM 0 HB3 TRP A 102 3.822 -4.993 -8.394 1.00 0.00 H new ATOM 0 HD1 TRP A 102 3.583 -5.072 -4.482 1.00 0.00 H new ATOM 0 HE1 TRP A 102 5.962 -5.403 -3.519 1.00 0.00 H new ATOM 0 HE3 TRP A 102 6.168 -5.163 -8.889 1.00 0.00 H new ATOM 0 HZ2 TRP A 102 8.567 -5.668 -4.547 1.00 0.00 H new ATOM 0 HZ3 TRP A 102 8.612 -5.459 -8.820 1.00 0.00 H new ATOM 0 HH2 TRP A 102 9.794 -5.709 -6.675 1.00 0.00 H new ATOM 61 N CYS A 103 1.985 -2.617 -9.321 1.00 0.00 N ATOM 62 CA CYS A 103 1.061 -2.382 -10.424 1.00 0.00 C ATOM 63 C CYS A 103 1.816 -2.208 -11.738 1.00 0.00 C ATOM 64 O CYS A 103 3.041 -2.330 -11.784 1.00 0.00 O ATOM 65 CB CYS A 103 0.206 -1.144 -10.146 1.00 0.00 C ATOM 66 SG CYS A 103 -0.620 -1.160 -8.522 1.00 0.00 S ATOM 0 H CYS A 103 2.875 -2.127 -9.405 1.00 0.00 H new ATOM 0 HA CYS A 103 0.410 -3.252 -10.512 1.00 0.00 H new ATOM 0 HB2 CYS A 103 0.837 -0.258 -10.212 1.00 0.00 H new ATOM 0 HB3 CYS A 103 -0.551 -1.056 -10.926 1.00 0.00 H new ATOM 71 N HIS A 104 1.077 -1.921 -12.805 1.00 0.00 N ATOM 72 CA HIS A 104 1.677 -1.728 -14.121 1.00 0.00 C ATOM 73 C HIS A 104 1.916 -0.247 -14.398 1.00 0.00 C ATOM 74 O HIS A 104 1.022 0.579 -14.214 1.00 0.00 O ATOM 75 CB HIS A 104 0.779 -2.324 -15.206 1.00 0.00 C ATOM 76 CG HIS A 104 0.784 -3.821 -15.233 1.00 0.00 C ATOM 77 ND1 HIS A 104 1.885 -4.563 -15.605 1.00 0.00 N ATOM 78 CD2 HIS A 104 -0.185 -4.715 -14.928 1.00 0.00 C ATOM 79 CE1 HIS A 104 1.591 -5.849 -15.531 1.00 0.00 C ATOM 80 NE2 HIS A 104 0.341 -5.968 -15.122 1.00 0.00 N ATOM 0 H HIS A 104 0.063 -1.817 -12.784 1.00 0.00 H new ATOM 0 HA HIS A 104 2.639 -2.241 -14.133 1.00 0.00 H new ATOM 0 HB2 HIS A 104 -0.242 -1.975 -15.053 1.00 0.00 H new ATOM 0 HB3 HIS A 104 1.101 -1.950 -16.178 1.00 0.00 H new ATOM 0 HD2 HIS A 104 -1.186 -4.485 -14.594 1.00 0.00 H new ATOM 0 HE1 HIS A 104 2.259 -6.664 -15.765 1.00 0.00 H new ATOM 0 HE2 HIS A 104 -0.153 -6.848 -14.974 1.00 0.00 H new ATOM 88 N GLN A 105 3.126 0.080 -14.840 1.00 0.00 N ATOM 89 CA GLN A 105 3.481 1.462 -15.140 1.00 0.00 C ATOM 90 C GLN A 105 4.039 1.586 -16.554 1.00 0.00 C ATOM 91 O GLN A 105 4.978 2.345 -16.798 1.00 0.00 O ATOM 92 CB GLN A 105 4.505 1.979 -14.128 1.00 0.00 C ATOM 93 CG GLN A 105 3.878 2.625 -12.903 1.00 0.00 C ATOM 94 CD GLN A 105 4.696 2.410 -11.646 1.00 0.00 C ATOM 95 OE1 GLN A 105 5.612 3.178 -11.349 1.00 0.00 O ATOM 96 NE2 GLN A 105 4.371 1.362 -10.898 1.00 0.00 N ATOM 0 H GLN A 105 3.876 -0.593 -14.998 1.00 0.00 H new ATOM 0 HA GLN A 105 2.576 2.066 -15.072 1.00 0.00 H new ATOM 0 HB2 GLN A 105 5.137 1.151 -13.808 1.00 0.00 H new ATOM 0 HB3 GLN A 105 5.154 2.704 -14.619 1.00 0.00 H new ATOM 0 HG2 GLN A 105 3.764 3.695 -13.079 1.00 0.00 H new ATOM 0 HG3 GLN A 105 2.878 2.218 -12.755 1.00 0.00 H new ATOM 0 HE21 GLN A 105 3.605 0.751 -11.181 1.00 0.00 H new ATOM 0 HE22 GLN A 105 4.888 1.168 -10.040 1.00 0.00 H new ATOM 105 N CYS A 106 3.456 0.835 -17.482 1.00 0.00 N ATOM 106 CA CYS A 106 3.895 0.860 -18.872 1.00 0.00 C ATOM 107 C CYS A 106 3.293 2.051 -19.612 1.00 0.00 C ATOM 108 O CYS A 106 2.246 2.573 -19.226 1.00 0.00 O ATOM 109 CB CYS A 106 3.503 -0.442 -19.576 1.00 0.00 C ATOM 110 SG CYS A 106 4.279 -0.667 -21.208 1.00 0.00 S ATOM 0 H CYS A 106 2.678 0.202 -17.297 1.00 0.00 H new ATOM 0 HA CYS A 106 4.980 0.959 -18.882 1.00 0.00 H new ATOM 0 HB2 CYS A 106 3.773 -1.283 -18.938 1.00 0.00 H new ATOM 0 HB3 CYS A 106 2.420 -0.467 -19.694 1.00 0.00 H new ATOM 115 N THR A 107 3.962 2.478 -20.679 1.00 0.00 N ATOM 116 CA THR A 107 3.495 3.608 -21.472 1.00 0.00 C ATOM 117 C THR A 107 2.287 3.223 -22.318 1.00 0.00 C ATOM 118 O THR A 107 1.682 4.070 -22.974 1.00 0.00 O ATOM 119 CB THR A 107 4.606 4.142 -22.396 1.00 0.00 C ATOM 120 OG1 THR A 107 5.828 4.282 -21.663 1.00 0.00 O ATOM 121 CG2 THR A 107 4.212 5.484 -22.995 1.00 0.00 C ATOM 0 H THR A 107 4.829 2.058 -21.014 1.00 0.00 H new ATOM 0 HA THR A 107 3.209 4.391 -20.770 1.00 0.00 H new ATOM 0 HB THR A 107 4.749 3.427 -23.206 1.00 0.00 H new ATOM 0 HG1 THR A 107 6.529 4.620 -22.258 1.00 0.00 H new ATOM 0 HG21 THR A 107 5.012 5.842 -23.644 1.00 0.00 H new ATOM 0 HG22 THR A 107 3.297 5.368 -23.576 1.00 0.00 H new ATOM 0 HG23 THR A 107 4.045 6.205 -22.195 1.00 0.00 H new ATOM 129 N GLY A 108 1.940 1.940 -22.298 1.00 0.00 N ATOM 130 CA GLY A 108 0.804 1.466 -23.067 1.00 0.00 C ATOM 131 C GLY A 108 0.972 1.704 -24.555 1.00 0.00 C ATOM 132 O GLY A 108 0.874 2.837 -25.025 1.00 0.00 O ATOM 0 H GLY A 108 2.425 1.220 -21.763 1.00 0.00 H new ATOM 0 HA2 GLY A 108 0.666 0.400 -22.886 1.00 0.00 H new ATOM 0 HA3 GLY A 108 -0.100 1.968 -22.722 1.00 0.00 H new ATOM 136 N PHE A 109 1.227 0.632 -25.298 1.00 0.00 N ATOM 137 CA PHE A 109 1.412 0.730 -26.742 1.00 0.00 C ATOM 138 C PHE A 109 0.740 -0.440 -27.456 1.00 0.00 C ATOM 139 O PHE A 109 1.326 -1.059 -28.343 1.00 0.00 O ATOM 140 CB PHE A 109 2.902 0.763 -27.085 1.00 0.00 C ATOM 141 CG PHE A 109 3.528 2.117 -26.909 1.00 0.00 C ATOM 142 CD1 PHE A 109 3.024 3.221 -27.579 1.00 0.00 C ATOM 143 CD2 PHE A 109 4.620 2.287 -26.073 1.00 0.00 C ATOM 144 CE1 PHE A 109 3.597 4.468 -27.418 1.00 0.00 C ATOM 145 CE2 PHE A 109 5.197 3.532 -25.908 1.00 0.00 C ATOM 146 CZ PHE A 109 4.685 4.624 -26.582 1.00 0.00 C ATOM 0 H PHE A 109 1.310 -0.314 -24.925 1.00 0.00 H new ATOM 0 HA PHE A 109 0.948 1.656 -27.081 1.00 0.00 H new ATOM 0 HB2 PHE A 109 3.427 0.044 -26.456 1.00 0.00 H new ATOM 0 HB3 PHE A 109 3.036 0.441 -28.118 1.00 0.00 H new ATOM 0 HD1 PHE A 109 2.174 3.105 -28.234 1.00 0.00 H new ATOM 0 HD2 PHE A 109 5.025 1.437 -25.544 1.00 0.00 H new ATOM 0 HE1 PHE A 109 3.194 5.320 -27.946 1.00 0.00 H new ATOM 0 HE2 PHE A 109 6.047 3.651 -25.253 1.00 0.00 H new ATOM 0 HZ PHE A 109 5.135 5.598 -26.455 1.00 0.00 H new ATOM 156 N GLY A 110 -0.495 -0.736 -27.061 1.00 0.00 N ATOM 157 CA GLY A 110 -1.226 -1.830 -27.672 1.00 0.00 C ATOM 158 C GLY A 110 -1.553 -2.933 -26.685 1.00 0.00 C ATOM 159 O GLY A 110 -2.124 -3.958 -27.055 1.00 0.00 O ATOM 0 H GLY A 110 -1.002 -0.238 -26.329 1.00 0.00 H new ATOM 0 HA2 GLY A 110 -2.151 -1.448 -28.104 1.00 0.00 H new ATOM 0 HA3 GLY A 110 -0.638 -2.243 -28.491 1.00 0.00 H new ATOM 163 N GLY A 111 -1.188 -2.723 -25.423 1.00 0.00 N ATOM 164 CA GLY A 111 -1.453 -3.716 -24.399 1.00 0.00 C ATOM 165 C GLY A 111 -0.182 -4.297 -23.812 1.00 0.00 C ATOM 166 O GLY A 111 -0.155 -5.454 -23.393 1.00 0.00 O ATOM 0 H GLY A 111 -0.714 -1.883 -25.092 1.00 0.00 H new ATOM 0 HA2 GLY A 111 -2.044 -3.263 -23.602 1.00 0.00 H new ATOM 0 HA3 GLY A 111 -2.054 -4.520 -24.824 1.00 0.00 H new ATOM 170 N CYS A 112 0.876 -3.492 -23.783 1.00 0.00 N ATOM 171 CA CYS A 112 2.157 -3.932 -23.246 1.00 0.00 C ATOM 172 C CYS A 112 2.007 -4.409 -21.804 1.00 0.00 C ATOM 173 O CYS A 112 0.908 -4.410 -21.250 1.00 0.00 O ATOM 174 CB CYS A 112 3.180 -2.797 -23.315 1.00 0.00 C ATOM 175 SG CYS A 112 2.747 -1.343 -22.306 1.00 0.00 S ATOM 0 H CYS A 112 0.870 -2.531 -24.126 1.00 0.00 H new ATOM 0 HA CYS A 112 2.509 -4.767 -23.852 1.00 0.00 H new ATOM 0 HB2 CYS A 112 4.149 -3.176 -22.990 1.00 0.00 H new ATOM 0 HB3 CYS A 112 3.291 -2.485 -24.353 1.00 0.00 H new ATOM 180 N SER A 113 3.121 -4.814 -21.202 1.00 0.00 N ATOM 181 CA SER A 113 3.114 -5.297 -19.825 1.00 0.00 C ATOM 182 C SER A 113 4.406 -4.916 -19.110 1.00 0.00 C ATOM 183 O SER A 113 5.497 -5.036 -19.668 1.00 0.00 O ATOM 184 CB SER A 113 2.929 -6.815 -19.796 1.00 0.00 C ATOM 185 OG SER A 113 4.085 -7.479 -20.277 1.00 0.00 O ATOM 0 H SER A 113 4.040 -4.817 -21.646 1.00 0.00 H new ATOM 0 HA SER A 113 2.279 -4.827 -19.305 1.00 0.00 H new ATOM 0 HB2 SER A 113 2.717 -7.139 -18.777 1.00 0.00 H new ATOM 0 HB3 SER A 113 2.068 -7.091 -20.404 1.00 0.00 H new ATOM 0 HG SER A 113 3.942 -8.448 -20.247 1.00 0.00 H new ATOM 191 N HIS A 114 4.275 -4.458 -17.869 1.00 0.00 N ATOM 192 CA HIS A 114 5.432 -4.060 -17.075 1.00 0.00 C ATOM 193 C HIS A 114 5.027 -3.763 -15.634 1.00 0.00 C ATOM 194 O HIS A 114 4.481 -2.701 -15.339 1.00 0.00 O ATOM 195 CB HIS A 114 6.103 -2.832 -17.691 1.00 0.00 C ATOM 196 CG HIS A 114 7.222 -3.167 -18.629 1.00 0.00 C ATOM 197 ND1 HIS A 114 7.488 -2.445 -19.772 1.00 0.00 N ATOM 198 CD2 HIS A 114 8.147 -4.154 -18.585 1.00 0.00 C ATOM 199 CE1 HIS A 114 8.527 -2.974 -20.393 1.00 0.00 C ATOM 200 NE2 HIS A 114 8.946 -4.012 -19.693 1.00 0.00 N ATOM 0 H HIS A 114 3.380 -4.353 -17.392 1.00 0.00 H new ATOM 0 HA HIS A 114 6.140 -4.888 -17.072 1.00 0.00 H new ATOM 0 HB2 HIS A 114 5.354 -2.249 -18.226 1.00 0.00 H new ATOM 0 HB3 HIS A 114 6.488 -2.199 -16.891 1.00 0.00 H new ATOM 0 HD2 HIS A 114 8.240 -4.912 -17.821 1.00 0.00 H new ATOM 0 HE1 HIS A 114 8.960 -2.618 -21.316 1.00 0.00 H new ATOM 0 HE2 HIS A 114 9.735 -4.611 -19.936 1.00 0.00 H new ATOM 208 N GLY A 115 5.297 -4.711 -14.741 1.00 0.00 N ATOM 209 CA GLY A 115 4.952 -4.532 -13.343 1.00 0.00 C ATOM 210 C GLY A 115 6.073 -3.894 -12.546 1.00 0.00 C ATOM 211 O GLY A 115 7.202 -4.385 -12.548 1.00 0.00 O ATOM 0 H GLY A 115 5.748 -5.599 -14.961 1.00 0.00 H new ATOM 0 HA2 GLY A 115 4.059 -3.911 -13.269 1.00 0.00 H new ATOM 0 HA3 GLY A 115 4.705 -5.500 -12.906 1.00 0.00 H new ATOM 215 N SER A 116 5.762 -2.796 -11.865 1.00 0.00 N ATOM 216 CA SER A 116 6.753 -2.086 -11.065 1.00 0.00 C ATOM 217 C SER A 116 6.162 -1.651 -9.728 1.00 0.00 C ATOM 218 O SER A 116 4.943 -1.616 -9.558 1.00 0.00 O ATOM 219 CB SER A 116 7.275 -0.866 -11.827 1.00 0.00 C ATOM 220 OG SER A 116 8.084 -0.053 -10.994 1.00 0.00 O ATOM 0 H SER A 116 4.831 -2.379 -11.851 1.00 0.00 H new ATOM 0 HA SER A 116 7.582 -2.766 -10.871 1.00 0.00 H new ATOM 0 HB2 SER A 116 7.852 -1.193 -12.692 1.00 0.00 H new ATOM 0 HB3 SER A 116 6.435 -0.283 -12.205 1.00 0.00 H new ATOM 0 HG SER A 116 8.407 0.719 -11.504 1.00 0.00 H new ATOM 226 N ARG A 117 7.034 -1.319 -8.782 1.00 0.00 N ATOM 227 CA ARG A 117 6.599 -0.887 -7.460 1.00 0.00 C ATOM 228 C ARG A 117 6.079 0.547 -7.500 1.00 0.00 C ATOM 229 O ARG A 117 6.689 1.423 -8.114 1.00 0.00 O ATOM 230 CB ARG A 117 7.752 -0.995 -6.460 1.00 0.00 C ATOM 231 CG ARG A 117 8.177 -2.426 -6.172 1.00 0.00 C ATOM 232 CD ARG A 117 9.501 -2.474 -5.426 1.00 0.00 C ATOM 233 NE ARG A 117 9.320 -2.360 -3.982 1.00 0.00 N ATOM 234 CZ ARG A 117 10.292 -2.014 -3.144 1.00 0.00 C ATOM 235 NH1 ARG A 117 11.506 -1.750 -3.606 1.00 0.00 N ATOM 236 NH2 ARG A 117 10.049 -1.931 -1.842 1.00 0.00 N ATOM 0 H ARG A 117 8.046 -1.341 -8.907 1.00 0.00 H new ATOM 0 HA ARG A 117 5.787 -1.541 -7.141 1.00 0.00 H new ATOM 0 HB2 ARG A 117 8.608 -0.441 -6.845 1.00 0.00 H new ATOM 0 HB3 ARG A 117 7.457 -0.518 -5.526 1.00 0.00 H new ATOM 0 HG2 ARG A 117 7.407 -2.924 -5.582 1.00 0.00 H new ATOM 0 HG3 ARG A 117 8.266 -2.976 -7.109 1.00 0.00 H new ATOM 0 HD2 ARG A 117 10.012 -3.409 -5.654 1.00 0.00 H new ATOM 0 HD3 ARG A 117 10.144 -1.666 -5.776 1.00 0.00 H new ATOM 0 HE ARG A 117 8.397 -2.557 -3.595 1.00 0.00 H new ATOM 0 HH11 ARG A 117 11.696 -1.812 -4.606 1.00 0.00 H new ATOM 0 HH12 ARG A 117 12.250 -1.485 -2.961 1.00 0.00 H new ATOM 0 HH21 ARG A 117 9.116 -2.133 -1.484 1.00 0.00 H new ATOM 0 HH22 ARG A 117 10.796 -1.665 -1.200 1.00 0.00 H new ATOM 250 N CYS A 118 4.949 0.780 -6.842 1.00 0.00 N ATOM 251 CA CYS A 118 4.345 2.106 -6.802 1.00 0.00 C ATOM 252 C CYS A 118 4.854 2.900 -5.602 1.00 0.00 C ATOM 253 O CYS A 118 5.404 2.333 -4.657 1.00 0.00 O ATOM 254 CB CYS A 118 2.820 1.994 -6.745 1.00 0.00 C ATOM 255 SG CYS A 118 2.102 0.944 -8.048 1.00 0.00 S ATOM 0 H CYS A 118 4.432 0.066 -6.328 1.00 0.00 H new ATOM 0 HA CYS A 118 4.629 2.635 -7.712 1.00 0.00 H new ATOM 0 HB2 CYS A 118 2.532 1.595 -5.772 1.00 0.00 H new ATOM 0 HB3 CYS A 118 2.390 2.993 -6.820 1.00 0.00 H new ATOM 260 N LEU A 119 4.665 4.214 -5.646 1.00 0.00 N ATOM 261 CA LEU A 119 5.104 5.086 -4.562 1.00 0.00 C ATOM 262 C LEU A 119 4.512 4.639 -3.229 1.00 0.00 C ATOM 263 O LEU A 119 3.385 4.147 -3.173 1.00 0.00 O ATOM 264 CB LEU A 119 4.701 6.534 -4.852 1.00 0.00 C ATOM 265 CG LEU A 119 5.735 7.382 -5.592 1.00 0.00 C ATOM 266 CD1 LEU A 119 6.549 6.521 -6.546 1.00 0.00 C ATOM 267 CD2 LEU A 119 5.054 8.517 -6.344 1.00 0.00 C ATOM 0 H LEU A 119 4.211 4.699 -6.420 1.00 0.00 H new ATOM 0 HA LEU A 119 6.190 5.023 -4.495 1.00 0.00 H new ATOM 0 HB2 LEU A 119 3.782 6.524 -5.438 1.00 0.00 H new ATOM 0 HB3 LEU A 119 4.470 7.022 -3.905 1.00 0.00 H new ATOM 0 HG LEU A 119 6.414 7.815 -4.857 1.00 0.00 H new ATOM 0 HD11 LEU A 119 7.280 7.142 -7.064 1.00 0.00 H new ATOM 0 HD12 LEU A 119 7.067 5.744 -5.983 1.00 0.00 H new ATOM 0 HD13 LEU A 119 5.884 6.058 -7.276 1.00 0.00 H new ATOM 0 HD21 LEU A 119 5.805 9.111 -6.865 1.00 0.00 H new ATOM 0 HD22 LEU A 119 4.352 8.104 -7.068 1.00 0.00 H new ATOM 0 HD23 LEU A 119 4.517 9.150 -5.638 1.00 0.00 H new ATOM 279 N ARG A 120 5.279 4.815 -2.159 1.00 0.00 N ATOM 280 CA ARG A 120 4.831 4.431 -0.826 1.00 0.00 C ATOM 281 C ARG A 120 3.458 5.025 -0.522 1.00 0.00 C ATOM 282 O ARG A 120 2.652 4.420 0.186 1.00 0.00 O ATOM 283 CB ARG A 120 5.841 4.888 0.228 1.00 0.00 C ATOM 284 CG ARG A 120 5.359 4.700 1.657 1.00 0.00 C ATOM 285 CD ARG A 120 5.171 3.229 1.992 1.00 0.00 C ATOM 286 NE ARG A 120 4.709 3.034 3.363 1.00 0.00 N ATOM 287 CZ ARG A 120 3.443 3.177 3.739 1.00 0.00 C ATOM 288 NH1 ARG A 120 2.518 3.514 2.851 1.00 0.00 N ATOM 289 NH2 ARG A 120 3.099 2.983 5.006 1.00 0.00 N ATOM 0 H ARG A 120 6.214 5.221 -2.189 1.00 0.00 H new ATOM 0 HA ARG A 120 4.753 3.344 -0.796 1.00 0.00 H new ATOM 0 HB2 ARG A 120 6.771 4.335 0.092 1.00 0.00 H new ATOM 0 HB3 ARG A 120 6.070 5.941 0.067 1.00 0.00 H new ATOM 0 HG2 ARG A 120 6.079 5.142 2.346 1.00 0.00 H new ATOM 0 HG3 ARG A 120 4.417 5.230 1.797 1.00 0.00 H new ATOM 0 HD2 ARG A 120 4.452 2.789 1.301 1.00 0.00 H new ATOM 0 HD3 ARG A 120 6.114 2.701 1.849 1.00 0.00 H new ATOM 0 HE ARG A 120 5.396 2.774 4.071 1.00 0.00 H new ATOM 0 HH11 ARG A 120 2.778 3.664 1.876 1.00 0.00 H new ATOM 0 HH12 ARG A 120 1.547 3.623 3.143 1.00 0.00 H new ATOM 0 HH21 ARG A 120 3.807 2.724 5.693 1.00 0.00 H new ATOM 0 HH22 ARG A 120 2.126 3.093 5.293 1.00 0.00 H new ATOM 303 N ASP A 121 3.201 6.212 -1.060 1.00 0.00 N ATOM 304 CA ASP A 121 1.926 6.887 -0.847 1.00 0.00 C ATOM 305 C ASP A 121 0.815 6.218 -1.650 1.00 0.00 C ATOM 306 O ASP A 121 -0.296 6.030 -1.154 1.00 0.00 O ATOM 307 CB ASP A 121 2.036 8.363 -1.235 1.00 0.00 C ATOM 308 CG ASP A 121 2.508 9.231 -0.085 1.00 0.00 C ATOM 309 OD1 ASP A 121 3.064 8.677 0.887 1.00 0.00 O ATOM 310 OD2 ASP A 121 2.322 10.463 -0.157 1.00 0.00 O ATOM 0 H ASP A 121 3.858 6.726 -1.646 1.00 0.00 H new ATOM 0 HA ASP A 121 1.677 6.815 0.212 1.00 0.00 H new ATOM 0 HB2 ASP A 121 2.728 8.465 -2.071 1.00 0.00 H new ATOM 0 HB3 ASP A 121 1.065 8.718 -1.580 1.00 0.00 H new ATOM 315 N SER A 122 1.123 5.863 -2.893 1.00 0.00 N ATOM 316 CA SER A 122 0.149 5.219 -3.767 1.00 0.00 C ATOM 317 C SER A 122 -0.129 3.790 -3.311 1.00 0.00 C ATOM 318 O SER A 122 0.760 2.938 -3.321 1.00 0.00 O ATOM 319 CB SER A 122 0.652 5.217 -5.212 1.00 0.00 C ATOM 320 OG SER A 122 2.055 5.028 -5.263 1.00 0.00 O ATOM 0 H SER A 122 2.039 6.010 -3.318 1.00 0.00 H new ATOM 0 HA SER A 122 -0.781 5.786 -3.714 1.00 0.00 H new ATOM 0 HB2 SER A 122 0.155 4.425 -5.772 1.00 0.00 H new ATOM 0 HB3 SER A 122 0.391 6.160 -5.693 1.00 0.00 H new ATOM 0 HG SER A 122 2.323 4.382 -4.577 1.00 0.00 H new ATOM 326 N THR A 123 -1.371 3.534 -2.911 1.00 0.00 N ATOM 327 CA THR A 123 -1.767 2.209 -2.450 1.00 0.00 C ATOM 328 C THR A 123 -2.922 1.661 -3.281 1.00 0.00 C ATOM 329 O THR A 123 -3.716 0.852 -2.800 1.00 0.00 O ATOM 330 CB THR A 123 -2.182 2.231 -0.967 1.00 0.00 C ATOM 331 OG1 THR A 123 -1.302 3.083 -0.225 1.00 0.00 O ATOM 332 CG2 THR A 123 -2.156 0.829 -0.377 1.00 0.00 C ATOM 0 H THR A 123 -2.120 4.227 -2.897 1.00 0.00 H new ATOM 0 HA THR A 123 -0.899 1.561 -2.567 1.00 0.00 H new ATOM 0 HB THR A 123 -3.200 2.616 -0.903 1.00 0.00 H new ATOM 0 HG1 THR A 123 -0.457 2.615 -0.059 1.00 0.00 H new ATOM 0 HG21 THR A 123 -2.453 0.870 0.671 1.00 0.00 H new ATOM 0 HG22 THR A 123 -2.848 0.190 -0.926 1.00 0.00 H new ATOM 0 HG23 THR A 123 -1.148 0.421 -0.453 1.00 0.00 H new ATOM 340 N HIS A 124 -3.009 2.106 -4.530 1.00 0.00 N ATOM 341 CA HIS A 124 -4.067 1.658 -5.429 1.00 0.00 C ATOM 342 C HIS A 124 -3.550 1.534 -6.859 1.00 0.00 C ATOM 343 O HIS A 124 -2.553 2.158 -7.226 1.00 0.00 O ATOM 344 CB HIS A 124 -5.248 2.628 -5.384 1.00 0.00 C ATOM 345 CG HIS A 124 -5.837 2.791 -4.016 1.00 0.00 C ATOM 346 ND1 HIS A 124 -6.996 2.160 -3.616 1.00 0.00 N ATOM 347 CD2 HIS A 124 -5.420 3.518 -2.954 1.00 0.00 C ATOM 348 CE1 HIS A 124 -7.267 2.493 -2.366 1.00 0.00 C ATOM 349 NE2 HIS A 124 -6.325 3.316 -1.941 1.00 0.00 N ATOM 0 H HIS A 124 -2.360 2.776 -4.943 1.00 0.00 H new ATOM 0 HA HIS A 124 -4.400 0.675 -5.096 1.00 0.00 H new ATOM 0 HB2 HIS A 124 -4.922 3.602 -5.749 1.00 0.00 H new ATOM 0 HB3 HIS A 124 -6.023 2.276 -6.065 1.00 0.00 H new ATOM 0 HD2 HIS A 124 -4.539 4.141 -2.911 1.00 0.00 H new ATOM 0 HE1 HIS A 124 -8.114 2.151 -1.790 1.00 0.00 H new ATOM 0 HE2 HIS A 124 -6.278 3.734 -1.012 1.00 0.00 H new ATOM 357 N CYS A 125 -4.232 0.725 -7.662 1.00 0.00 N ATOM 358 CA CYS A 125 -3.842 0.518 -9.051 1.00 0.00 C ATOM 359 C CYS A 125 -4.805 1.228 -9.999 1.00 0.00 C ATOM 360 O CYS A 125 -6.023 1.125 -9.855 1.00 0.00 O ATOM 361 CB CYS A 125 -3.800 -0.977 -9.374 1.00 0.00 C ATOM 362 SG CYS A 125 -2.274 -1.812 -8.834 1.00 0.00 S ATOM 0 H CYS A 125 -5.059 0.201 -7.374 1.00 0.00 H new ATOM 0 HA CYS A 125 -2.847 0.941 -9.189 1.00 0.00 H new ATOM 0 HB2 CYS A 125 -4.654 -1.464 -8.903 1.00 0.00 H new ATOM 0 HB3 CYS A 125 -3.912 -1.109 -10.450 1.00 0.00 H new ATOM 367 N VAL A 126 -4.249 1.948 -10.968 1.00 0.00 N ATOM 368 CA VAL A 126 -5.058 2.674 -11.940 1.00 0.00 C ATOM 369 C VAL A 126 -4.722 2.245 -13.364 1.00 0.00 C ATOM 370 O VAL A 126 -3.571 1.938 -13.677 1.00 0.00 O ATOM 371 CB VAL A 126 -4.857 4.196 -11.813 1.00 0.00 C ATOM 372 CG1 VAL A 126 -5.890 4.942 -12.643 1.00 0.00 C ATOM 373 CG2 VAL A 126 -4.924 4.622 -10.354 1.00 0.00 C ATOM 0 H VAL A 126 -3.242 2.044 -11.101 1.00 0.00 H new ATOM 0 HA VAL A 126 -6.100 2.434 -11.727 1.00 0.00 H new ATOM 0 HB VAL A 126 -3.868 4.448 -12.196 1.00 0.00 H new ATOM 0 HG11 VAL A 126 -5.732 6.016 -12.541 1.00 0.00 H new ATOM 0 HG12 VAL A 126 -5.789 4.658 -13.691 1.00 0.00 H new ATOM 0 HG13 VAL A 126 -6.890 4.687 -12.293 1.00 0.00 H new ATOM 0 HG21 VAL A 126 -4.780 5.700 -10.283 1.00 0.00 H new ATOM 0 HG22 VAL A 126 -5.898 4.358 -9.942 1.00 0.00 H new ATOM 0 HG23 VAL A 126 -4.142 4.113 -9.790 1.00 0.00 H new ATOM 383 N THR A 127 -5.734 2.226 -14.225 1.00 0.00 N ATOM 384 CA THR A 127 -5.547 1.835 -15.617 1.00 0.00 C ATOM 385 C THR A 127 -6.385 2.702 -16.549 1.00 0.00 C ATOM 386 O THR A 127 -7.613 2.619 -16.556 1.00 0.00 O ATOM 387 CB THR A 127 -5.918 0.356 -15.839 1.00 0.00 C ATOM 388 OG1 THR A 127 -5.640 -0.402 -14.656 1.00 0.00 O ATOM 389 CG2 THR A 127 -5.145 -0.225 -17.013 1.00 0.00 C ATOM 0 H THR A 127 -6.693 2.477 -13.983 1.00 0.00 H new ATOM 0 HA THR A 127 -4.491 1.976 -15.846 1.00 0.00 H new ATOM 0 HB THR A 127 -6.983 0.301 -16.063 1.00 0.00 H new ATOM 0 HG1 THR A 127 -6.358 -1.053 -14.508 1.00 0.00 H new ATOM 0 HG21 THR A 127 -5.423 -1.270 -17.151 1.00 0.00 H new ATOM 0 HG22 THR A 127 -5.381 0.336 -17.917 1.00 0.00 H new ATOM 0 HG23 THR A 127 -4.076 -0.158 -16.814 1.00 0.00 H new ATOM 397 N THR A 128 -5.712 3.536 -17.338 1.00 0.00 N ATOM 398 CA THR A 128 -6.395 4.419 -18.274 1.00 0.00 C ATOM 399 C THR A 128 -6.170 3.973 -19.715 1.00 0.00 C ATOM 400 O THR A 128 -5.324 3.121 -19.985 1.00 0.00 O ATOM 401 CB THR A 128 -5.919 5.876 -18.121 1.00 0.00 C ATOM 402 OG1 THR A 128 -4.642 6.043 -18.746 1.00 0.00 O ATOM 403 CG2 THR A 128 -5.824 6.262 -16.652 1.00 0.00 C ATOM 0 H THR A 128 -4.695 3.617 -17.346 1.00 0.00 H new ATOM 0 HA THR A 128 -7.458 4.365 -18.041 1.00 0.00 H new ATOM 0 HB THR A 128 -6.648 6.526 -18.606 1.00 0.00 H new ATOM 0 HG1 THR A 128 -4.045 5.317 -18.469 1.00 0.00 H new ATOM 0 HG21 THR A 128 -5.486 7.295 -16.568 1.00 0.00 H new ATOM 0 HG22 THR A 128 -6.804 6.162 -16.185 1.00 0.00 H new ATOM 0 HG23 THR A 128 -5.114 5.606 -16.149 1.00 0.00 H new ATOM 411 N ALA A 129 -6.932 4.554 -20.635 1.00 0.00 N ATOM 412 CA ALA A 129 -6.814 4.217 -22.048 1.00 0.00 C ATOM 413 C ALA A 129 -7.436 5.299 -22.924 1.00 0.00 C ATOM 414 O ALA A 129 -8.646 5.525 -22.886 1.00 0.00 O ATOM 415 CB ALA A 129 -7.465 2.871 -22.327 1.00 0.00 C ATOM 0 H ALA A 129 -7.638 5.260 -20.427 1.00 0.00 H new ATOM 0 HA ALA A 129 -5.754 4.152 -22.293 1.00 0.00 H new ATOM 0 HB1 ALA A 129 -7.369 2.633 -23.386 1.00 0.00 H new ATOM 0 HB2 ALA A 129 -6.973 2.099 -21.735 1.00 0.00 H new ATOM 0 HB3 ALA A 129 -8.521 2.915 -22.059 1.00 0.00 H new ATOM 421 N THR A 130 -6.601 5.968 -23.714 1.00 0.00 N ATOM 422 CA THR A 130 -7.069 7.028 -24.598 1.00 0.00 C ATOM 423 C THR A 130 -7.171 6.538 -26.038 1.00 0.00 C ATOM 424 O THR A 130 -6.920 5.367 -26.324 1.00 0.00 O ATOM 425 CB THR A 130 -6.137 8.253 -24.549 1.00 0.00 C ATOM 426 OG1 THR A 130 -4.775 7.838 -24.702 1.00 0.00 O ATOM 427 CG2 THR A 130 -6.299 9.004 -23.236 1.00 0.00 C ATOM 0 H THR A 130 -5.597 5.794 -23.759 1.00 0.00 H new ATOM 0 HA THR A 130 -8.058 7.320 -24.245 1.00 0.00 H new ATOM 0 HB THR A 130 -6.407 8.921 -25.367 1.00 0.00 H new ATOM 0 HG1 THR A 130 -4.189 8.623 -24.671 1.00 0.00 H new ATOM 0 HG21 THR A 130 -5.631 9.865 -23.224 1.00 0.00 H new ATOM 0 HG22 THR A 130 -7.330 9.343 -23.136 1.00 0.00 H new ATOM 0 HG23 THR A 130 -6.053 8.342 -22.406 1.00 0.00 H new ATOM 579 N PRO A 140 -5.135 3.267 -30.409 1.00 0.00 N ATOM 580 CA PRO A 140 -5.300 4.019 -29.162 1.00 0.00 C ATOM 581 C PRO A 140 -3.995 4.142 -28.382 1.00 0.00 C ATOM 582 O PRO A 140 -2.941 3.698 -28.842 1.00 0.00 O ATOM 583 CB PRO A 140 -6.315 3.185 -28.376 1.00 0.00 C ATOM 584 CG PRO A 140 -6.160 1.801 -28.907 1.00 0.00 C ATOM 585 CD PRO A 140 -5.798 1.953 -30.358 1.00 0.00 C ATOM 0 HA PRO A 140 -5.620 5.045 -29.345 1.00 0.00 H new ATOM 0 HB2 PRO A 140 -6.114 3.223 -27.305 1.00 0.00 H new ATOM 0 HB3 PRO A 140 -7.330 3.554 -28.523 1.00 0.00 H new ATOM 0 HG2 PRO A 140 -5.384 1.260 -28.366 1.00 0.00 H new ATOM 0 HG3 PRO A 140 -7.083 1.233 -28.792 1.00 0.00 H new ATOM 0 HD2 PRO A 140 -5.135 1.155 -30.692 1.00 0.00 H new ATOM 0 HD3 PRO A 140 -6.680 1.923 -30.997 1.00 0.00 H new ATOM 593 N LEU A 141 -4.071 4.746 -27.202 1.00 0.00 N ATOM 594 CA LEU A 141 -2.895 4.926 -26.357 1.00 0.00 C ATOM 595 C LEU A 141 -3.198 4.545 -24.912 1.00 0.00 C ATOM 596 O LEU A 141 -3.900 5.266 -24.203 1.00 0.00 O ATOM 597 CB LEU A 141 -2.413 6.377 -26.424 1.00 0.00 C ATOM 598 CG LEU A 141 -0.907 6.591 -26.270 1.00 0.00 C ATOM 599 CD1 LEU A 141 -0.587 8.074 -26.161 1.00 0.00 C ATOM 600 CD2 LEU A 141 -0.382 5.840 -25.055 1.00 0.00 C ATOM 0 H LEU A 141 -4.934 5.120 -26.808 1.00 0.00 H new ATOM 0 HA LEU A 141 -2.108 4.270 -26.728 1.00 0.00 H new ATOM 0 HB2 LEU A 141 -2.724 6.798 -27.380 1.00 0.00 H new ATOM 0 HB3 LEU A 141 -2.922 6.944 -25.645 1.00 0.00 H new ATOM 0 HG LEU A 141 -0.411 6.197 -27.157 1.00 0.00 H new ATOM 0 HD11 LEU A 141 0.489 8.207 -26.052 1.00 0.00 H new ATOM 0 HD12 LEU A 141 -0.927 8.587 -27.061 1.00 0.00 H new ATOM 0 HD13 LEU A 141 -1.094 8.493 -25.292 1.00 0.00 H new ATOM 0 HD21 LEU A 141 0.692 6.004 -24.962 1.00 0.00 H new ATOM 0 HD22 LEU A 141 -0.884 6.203 -24.158 1.00 0.00 H new ATOM 0 HD23 LEU A 141 -0.577 4.774 -25.174 1.00 0.00 H new ATOM 612 N VAL A 142 -2.664 3.407 -24.481 1.00 0.00 N ATOM 613 CA VAL A 142 -2.874 2.931 -23.119 1.00 0.00 C ATOM 614 C VAL A 142 -1.887 3.575 -22.153 1.00 0.00 C ATOM 615 O VAL A 142 -0.808 4.016 -22.551 1.00 0.00 O ATOM 616 CB VAL A 142 -2.736 1.399 -23.032 1.00 0.00 C ATOM 617 CG1 VAL A 142 -2.912 0.928 -21.597 1.00 0.00 C ATOM 618 CG2 VAL A 142 -3.740 0.721 -23.952 1.00 0.00 C ATOM 0 H VAL A 142 -2.082 2.797 -25.056 1.00 0.00 H new ATOM 0 HA VAL A 142 -3.889 3.213 -22.838 1.00 0.00 H new ATOM 0 HB VAL A 142 -1.734 1.122 -23.359 1.00 0.00 H new ATOM 0 HG11 VAL A 142 -2.811 -0.157 -21.555 1.00 0.00 H new ATOM 0 HG12 VAL A 142 -2.150 1.388 -20.967 1.00 0.00 H new ATOM 0 HG13 VAL A 142 -3.901 1.215 -21.239 1.00 0.00 H new ATOM 0 HG21 VAL A 142 -3.629 -0.361 -23.878 1.00 0.00 H new ATOM 0 HG22 VAL A 142 -4.751 1.003 -23.658 1.00 0.00 H new ATOM 0 HG23 VAL A 142 -3.561 1.035 -24.980 1.00 0.00 H new ATOM 628 N THR A 143 -2.262 3.627 -20.878 1.00 0.00 N ATOM 629 CA THR A 143 -1.410 4.218 -19.854 1.00 0.00 C ATOM 630 C THR A 143 -1.749 3.668 -18.473 1.00 0.00 C ATOM 631 O THR A 143 -2.876 3.809 -17.997 1.00 0.00 O ATOM 632 CB THR A 143 -1.543 5.752 -19.830 1.00 0.00 C ATOM 633 OG1 THR A 143 -1.034 6.307 -21.049 1.00 0.00 O ATOM 634 CG2 THR A 143 -0.792 6.342 -18.646 1.00 0.00 C ATOM 0 H THR A 143 -3.151 3.267 -20.530 1.00 0.00 H new ATOM 0 HA THR A 143 -0.383 3.954 -20.105 1.00 0.00 H new ATOM 0 HB THR A 143 -2.599 6.002 -19.731 1.00 0.00 H new ATOM 0 HG1 THR A 143 -0.761 5.582 -21.650 1.00 0.00 H new ATOM 0 HG21 THR A 143 -0.900 7.427 -18.650 1.00 0.00 H new ATOM 0 HG22 THR A 143 -1.201 5.940 -17.719 1.00 0.00 H new ATOM 0 HG23 THR A 143 0.264 6.083 -18.719 1.00 0.00 H new ATOM 642 N LYS A 144 -0.768 3.042 -17.833 1.00 0.00 N ATOM 643 CA LYS A 144 -0.960 2.473 -16.505 1.00 0.00 C ATOM 644 C LYS A 144 -0.109 3.203 -15.471 1.00 0.00 C ATOM 645 O LYS A 144 1.012 3.622 -15.761 1.00 0.00 O ATOM 646 CB LYS A 144 -0.609 0.983 -16.510 1.00 0.00 C ATOM 647 CG LYS A 144 -1.322 0.194 -17.594 1.00 0.00 C ATOM 648 CD LYS A 144 -0.508 0.148 -18.877 1.00 0.00 C ATOM 649 CE LYS A 144 -0.750 -1.144 -19.643 1.00 0.00 C ATOM 650 NZ LYS A 144 -2.194 -1.502 -19.686 1.00 0.00 N ATOM 0 H LYS A 144 0.170 2.916 -18.213 1.00 0.00 H new ATOM 0 HA LYS A 144 -2.009 2.592 -16.235 1.00 0.00 H new ATOM 0 HB2 LYS A 144 0.468 0.872 -16.640 1.00 0.00 H new ATOM 0 HB3 LYS A 144 -0.858 0.556 -15.538 1.00 0.00 H new ATOM 0 HG2 LYS A 144 -1.508 -0.821 -17.244 1.00 0.00 H new ATOM 0 HG3 LYS A 144 -2.294 0.645 -17.794 1.00 0.00 H new ATOM 0 HD2 LYS A 144 -0.769 0.999 -19.506 1.00 0.00 H new ATOM 0 HD3 LYS A 144 0.552 0.239 -18.640 1.00 0.00 H new ATOM 0 HE2 LYS A 144 -0.372 -1.039 -20.660 1.00 0.00 H new ATOM 0 HE3 LYS A 144 -0.189 -1.953 -19.176 1.00 0.00 H new ATOM 0 HZ1 LYS A 144 -2.417 -1.934 -20.605 1.00 0.00 H new ATOM 0 HZ2 LYS A 144 -2.407 -2.178 -18.925 1.00 0.00 H new ATOM 0 HZ3 LYS A 144 -2.768 -0.644 -19.558 1.00 0.00 H new ATOM 664 N MET A 145 -0.647 3.350 -14.265 1.00 0.00 N ATOM 665 CA MET A 145 0.066 4.027 -13.188 1.00 0.00 C ATOM 666 C MET A 145 -0.528 3.665 -11.831 1.00 0.00 C ATOM 667 O MET A 145 -1.368 2.770 -11.728 1.00 0.00 O ATOM 668 CB MET A 145 0.019 5.543 -13.390 1.00 0.00 C ATOM 669 CG MET A 145 -1.258 6.185 -12.874 1.00 0.00 C ATOM 670 SD MET A 145 -1.731 7.647 -13.818 1.00 0.00 S ATOM 671 CE MET A 145 -2.137 6.912 -15.400 1.00 0.00 C ATOM 0 H MET A 145 -1.574 3.010 -14.009 1.00 0.00 H new ATOM 0 HA MET A 145 1.105 3.697 -13.210 1.00 0.00 H new ATOM 0 HB2 MET A 145 0.873 5.995 -12.886 1.00 0.00 H new ATOM 0 HB3 MET A 145 0.123 5.763 -14.452 1.00 0.00 H new ATOM 0 HG2 MET A 145 -2.067 5.456 -12.911 1.00 0.00 H new ATOM 0 HG3 MET A 145 -1.125 6.460 -11.828 1.00 0.00 H new ATOM 0 HE1 MET A 145 -1.580 7.416 -16.189 1.00 0.00 H new ATOM 0 HE2 MET A 145 -1.873 5.855 -15.388 1.00 0.00 H new ATOM 0 HE3 MET A 145 -3.206 7.017 -15.586 1.00 0.00 H new ATOM 681 N CYS A 146 -0.087 4.365 -10.791 1.00 0.00 N ATOM 682 CA CYS A 146 -0.575 4.117 -9.439 1.00 0.00 C ATOM 683 C CYS A 146 -0.968 5.422 -8.755 1.00 0.00 C ATOM 684 O CYS A 146 -0.527 6.502 -9.152 1.00 0.00 O ATOM 685 CB CYS A 146 0.493 3.396 -8.614 1.00 0.00 C ATOM 686 SG CYS A 146 1.582 2.311 -9.591 1.00 0.00 S ATOM 0 H CYS A 146 0.608 5.109 -10.858 1.00 0.00 H new ATOM 0 HA CYS A 146 -1.460 3.484 -9.508 1.00 0.00 H new ATOM 0 HB2 CYS A 146 1.104 4.139 -8.101 1.00 0.00 H new ATOM 0 HB3 CYS A 146 0.002 2.801 -7.844 1.00 0.00 H new ATOM 691 N HIS A 147 -1.799 5.316 -7.723 1.00 0.00 N ATOM 692 CA HIS A 147 -2.252 6.488 -6.982 1.00 0.00 C ATOM 693 C HIS A 147 -2.906 6.080 -5.665 1.00 0.00 C ATOM 694 O HIS A 147 -3.095 4.893 -5.398 1.00 0.00 O ATOM 695 CB HIS A 147 -3.236 7.301 -7.823 1.00 0.00 C ATOM 696 CG HIS A 147 -3.191 8.772 -7.543 1.00 0.00 C ATOM 697 ND1 HIS A 147 -2.184 9.595 -8.002 1.00 0.00 N ATOM 698 CD2 HIS A 147 -4.037 9.567 -6.848 1.00 0.00 C ATOM 699 CE1 HIS A 147 -2.412 10.832 -7.600 1.00 0.00 C ATOM 700 NE2 HIS A 147 -3.531 10.843 -6.898 1.00 0.00 N ATOM 0 H HIS A 147 -2.172 4.431 -7.381 1.00 0.00 H new ATOM 0 HA HIS A 147 -1.381 7.104 -6.759 1.00 0.00 H new ATOM 0 HB2 HIS A 147 -3.023 7.134 -8.879 1.00 0.00 H new ATOM 0 HB3 HIS A 147 -4.246 6.935 -7.640 1.00 0.00 H new ATOM 0 HD2 HIS A 147 -4.942 9.256 -6.347 1.00 0.00 H new ATOM 0 HE1 HIS A 147 -1.789 11.689 -7.810 1.00 0.00 H new ATOM 0 HE2 HIS A 147 -3.951 11.665 -6.464 1.00 0.00 H new ATOM 708 N ILE A 148 -3.247 7.070 -4.848 1.00 0.00 N ATOM 709 CA ILE A 148 -3.880 6.812 -3.560 1.00 0.00 C ATOM 710 C ILE A 148 -5.400 6.805 -3.686 1.00 0.00 C ATOM 711 O ILE A 148 -6.108 7.294 -2.808 1.00 0.00 O ATOM 712 CB ILE A 148 -3.468 7.862 -2.511 1.00 0.00 C ATOM 713 CG1 ILE A 148 -1.996 8.240 -2.686 1.00 0.00 C ATOM 714 CG2 ILE A 148 -3.722 7.335 -1.106 1.00 0.00 C ATOM 715 CD1 ILE A 148 -1.488 9.196 -1.630 1.00 0.00 C ATOM 0 H ILE A 148 -3.096 8.057 -5.054 1.00 0.00 H new ATOM 0 HA ILE A 148 -3.541 5.829 -3.232 1.00 0.00 H new ATOM 0 HB ILE A 148 -4.073 8.757 -2.657 1.00 0.00 H new ATOM 0 HG12 ILE A 148 -1.391 7.333 -2.665 1.00 0.00 H new ATOM 0 HG13 ILE A 148 -1.859 8.691 -3.669 1.00 0.00 H new ATOM 0 HG21 ILE A 148 -3.426 8.088 -0.376 1.00 0.00 H new ATOM 0 HG22 ILE A 148 -4.782 7.112 -0.987 1.00 0.00 H new ATOM 0 HG23 ILE A 148 -3.140 6.427 -0.947 1.00 0.00 H new ATOM 0 HD11 ILE A 148 -0.438 9.420 -1.817 1.00 0.00 H new ATOM 0 HD12 ILE A 148 -2.068 10.119 -1.665 1.00 0.00 H new ATOM 0 HD13 ILE A 148 -1.592 8.740 -0.646 1.00 0.00 H new ATOM 727 N GLY A 149 -5.894 6.243 -4.785 1.00 0.00 N ATOM 728 CA GLY A 149 -7.327 6.180 -5.005 1.00 0.00 C ATOM 729 C GLY A 149 -7.682 6.013 -6.470 1.00 0.00 C ATOM 730 O GLY A 149 -7.453 4.953 -7.054 1.00 0.00 O ATOM 0 H GLY A 149 -5.328 5.831 -5.526 1.00 0.00 H new ATOM 0 HA2 GLY A 149 -7.743 5.348 -4.437 1.00 0.00 H new ATOM 0 HA3 GLY A 149 -7.790 7.090 -4.623 1.00 0.00 H new ATOM 734 N CYS A 150 -8.244 7.059 -7.064 1.00 0.00 N ATOM 735 CA CYS A 150 -8.634 7.024 -8.469 1.00 0.00 C ATOM 736 C CYS A 150 -8.911 8.430 -8.992 1.00 0.00 C ATOM 737 O CYS A 150 -10.059 8.847 -9.148 1.00 0.00 O ATOM 738 CB CYS A 150 -9.873 6.146 -8.654 1.00 0.00 C ATOM 739 SG CYS A 150 -10.469 6.054 -10.373 1.00 0.00 S ATOM 0 H CYS A 150 -8.440 7.943 -6.594 1.00 0.00 H new ATOM 0 HA CYS A 150 -7.808 6.600 -9.039 1.00 0.00 H new ATOM 0 HB2 CYS A 150 -9.647 5.139 -8.305 1.00 0.00 H new ATOM 0 HB3 CYS A 150 -10.675 6.530 -8.023 1.00 0.00 H new ATOM 917 N SER A 163 -11.515 6.830 -20.543 1.00 0.00 N ATOM 918 CA SER A 163 -11.476 5.443 -20.096 1.00 0.00 C ATOM 919 C SER A 163 -10.601 5.296 -18.855 1.00 0.00 C ATOM 920 O SER A 163 -9.381 5.456 -18.920 1.00 0.00 O ATOM 921 CB SER A 163 -10.952 4.539 -21.214 1.00 0.00 C ATOM 922 OG SER A 163 -11.378 5.000 -22.484 1.00 0.00 O ATOM 0 HA SER A 163 -12.492 5.141 -19.840 1.00 0.00 H new ATOM 0 HB2 SER A 163 -9.863 4.509 -21.181 1.00 0.00 H new ATOM 0 HB3 SER A 163 -11.304 3.519 -21.057 1.00 0.00 H new ATOM 0 HG SER A 163 -10.603 5.313 -22.995 1.00 0.00 H new ATOM 928 N ILE A 164 -11.231 4.990 -17.726 1.00 0.00 N ATOM 929 CA ILE A 164 -10.510 4.821 -16.471 1.00 0.00 C ATOM 930 C ILE A 164 -10.864 3.493 -15.809 1.00 0.00 C ATOM 931 O ILE A 164 -11.990 3.010 -15.927 1.00 0.00 O ATOM 932 CB ILE A 164 -10.813 5.968 -15.489 1.00 0.00 C ATOM 933 CG1 ILE A 164 -10.563 7.321 -16.158 1.00 0.00 C ATOM 934 CG2 ILE A 164 -9.965 5.827 -14.234 1.00 0.00 C ATOM 935 CD1 ILE A 164 -9.118 7.547 -16.543 1.00 0.00 C ATOM 0 H ILE A 164 -12.239 4.854 -17.655 1.00 0.00 H new ATOM 0 HA ILE A 164 -9.447 4.832 -16.713 1.00 0.00 H new ATOM 0 HB ILE A 164 -11.863 5.914 -15.203 1.00 0.00 H new ATOM 0 HG12 ILE A 164 -11.184 7.396 -17.050 1.00 0.00 H new ATOM 0 HG13 ILE A 164 -10.879 8.115 -15.482 1.00 0.00 H new ATOM 0 HG21 ILE A 164 -10.190 6.645 -13.549 1.00 0.00 H new ATOM 0 HG22 ILE A 164 -10.187 4.876 -13.750 1.00 0.00 H new ATOM 0 HG23 ILE A 164 -8.909 5.859 -14.503 1.00 0.00 H new ATOM 0 HD11 ILE A 164 -9.015 8.526 -17.012 1.00 0.00 H new ATOM 0 HD12 ILE A 164 -8.493 7.504 -15.651 1.00 0.00 H new ATOM 0 HD13 ILE A 164 -8.803 6.774 -17.244 1.00 0.00 H new ATOM 947 N ALA A 165 -9.895 2.909 -15.111 1.00 0.00 N ATOM 948 CA ALA A 165 -10.105 1.640 -14.427 1.00 0.00 C ATOM 949 C ALA A 165 -9.520 1.672 -13.019 1.00 0.00 C ATOM 950 O ALA A 165 -8.306 1.576 -12.838 1.00 0.00 O ATOM 951 CB ALA A 165 -9.494 0.501 -15.229 1.00 0.00 C ATOM 0 H ALA A 165 -8.957 3.295 -15.005 1.00 0.00 H new ATOM 0 HA ALA A 165 -11.179 1.474 -14.342 1.00 0.00 H new ATOM 0 HB1 ALA A 165 -9.658 -0.441 -14.706 1.00 0.00 H new ATOM 0 HB2 ALA A 165 -9.962 0.457 -16.213 1.00 0.00 H new ATOM 0 HB3 ALA A 165 -8.423 0.670 -15.344 1.00 0.00 H new ATOM 957 N CYS A 166 -10.391 1.807 -12.025 1.00 0.00 N ATOM 958 CA CYS A 166 -9.961 1.853 -10.632 1.00 0.00 C ATOM 959 C CYS A 166 -10.192 0.509 -9.947 1.00 0.00 C ATOM 960 O CYS A 166 -11.309 -0.009 -9.931 1.00 0.00 O ATOM 961 CB CYS A 166 -10.710 2.956 -9.882 1.00 0.00 C ATOM 962 SG CYS A 166 -11.154 4.389 -10.915 1.00 0.00 S ATOM 0 H CYS A 166 -11.399 1.887 -12.158 1.00 0.00 H new ATOM 0 HA CYS A 166 -8.893 2.071 -10.614 1.00 0.00 H new ATOM 0 HB2 CYS A 166 -11.619 2.536 -9.453 1.00 0.00 H new ATOM 0 HB3 CYS A 166 -10.094 3.298 -9.051 1.00 0.00 H new ATOM 967 N CYS A 167 -9.128 -0.051 -9.382 1.00 0.00 N ATOM 968 CA CYS A 167 -9.213 -1.334 -8.695 1.00 0.00 C ATOM 969 C CYS A 167 -8.178 -1.422 -7.577 1.00 0.00 C ATOM 970 O CYS A 167 -7.041 -0.977 -7.734 1.00 0.00 O ATOM 971 CB CYS A 167 -9.007 -2.481 -9.686 1.00 0.00 C ATOM 972 SG CYS A 167 -7.849 -2.097 -11.039 1.00 0.00 S ATOM 0 H CYS A 167 -8.196 0.364 -9.386 1.00 0.00 H new ATOM 0 HA CYS A 167 -10.206 -1.417 -8.254 1.00 0.00 H new ATOM 0 HB2 CYS A 167 -8.640 -3.353 -9.145 1.00 0.00 H new ATOM 0 HB3 CYS A 167 -9.971 -2.754 -10.114 1.00 0.00 H new ATOM 977 N GLN A 168 -8.581 -2.000 -6.449 1.00 0.00 N ATOM 978 CA GLN A 168 -7.689 -2.145 -5.305 1.00 0.00 C ATOM 979 C GLN A 168 -6.953 -3.480 -5.355 1.00 0.00 C ATOM 980 O GLN A 168 -6.888 -4.204 -4.360 1.00 0.00 O ATOM 981 CB GLN A 168 -8.477 -2.032 -3.999 1.00 0.00 C ATOM 982 CG GLN A 168 -9.643 -3.004 -3.906 1.00 0.00 C ATOM 983 CD GLN A 168 -10.127 -3.200 -2.483 1.00 0.00 C ATOM 984 OE1 GLN A 168 -9.888 -2.362 -1.613 1.00 0.00 O ATOM 985 NE2 GLN A 168 -10.813 -4.311 -2.239 1.00 0.00 N ATOM 0 H GLN A 168 -9.518 -2.375 -6.304 1.00 0.00 H new ATOM 0 HA GLN A 168 -6.952 -1.343 -5.347 1.00 0.00 H new ATOM 0 HB2 GLN A 168 -7.802 -2.206 -3.161 1.00 0.00 H new ATOM 0 HB3 GLN A 168 -8.854 -1.014 -3.899 1.00 0.00 H new ATOM 0 HG2 GLN A 168 -10.467 -2.637 -4.519 1.00 0.00 H new ATOM 0 HG3 GLN A 168 -9.342 -3.967 -4.319 1.00 0.00 H new ATOM 0 HE21 GLN A 168 -10.988 -4.978 -2.991 1.00 0.00 H new ATOM 0 HE22 GLN A 168 -11.165 -4.497 -1.300 1.00 0.00 H new ATOM 994 N THR A 169 -6.400 -3.803 -6.520 1.00 0.00 N ATOM 995 CA THR A 169 -5.670 -5.051 -6.700 1.00 0.00 C ATOM 996 C THR A 169 -4.337 -4.813 -7.400 1.00 0.00 C ATOM 997 O THR A 169 -4.262 -4.065 -8.375 1.00 0.00 O ATOM 998 CB THR A 169 -6.491 -6.069 -7.516 1.00 0.00 C ATOM 999 OG1 THR A 169 -7.426 -5.383 -8.356 1.00 0.00 O ATOM 1000 CG2 THR A 169 -7.234 -7.026 -6.596 1.00 0.00 C ATOM 0 H THR A 169 -6.444 -3.217 -7.353 1.00 0.00 H new ATOM 0 HA THR A 169 -5.487 -5.456 -5.705 1.00 0.00 H new ATOM 0 HB THR A 169 -5.803 -6.646 -8.135 1.00 0.00 H new ATOM 0 HG1 THR A 169 -7.942 -6.036 -8.872 1.00 0.00 H new ATOM 0 HG21 THR A 169 -7.806 -7.735 -7.194 1.00 0.00 H new ATOM 0 HG22 THR A 169 -6.517 -7.568 -5.979 1.00 0.00 H new ATOM 0 HG23 THR A 169 -7.912 -6.462 -5.955 1.00 0.00 H new ATOM 1008 N SER A 170 -3.287 -5.454 -6.897 1.00 0.00 N ATOM 1009 CA SER A 170 -1.955 -5.309 -7.473 1.00 0.00 C ATOM 1010 C SER A 170 -1.933 -5.794 -8.919 1.00 0.00 C ATOM 1011 O SER A 170 -2.429 -6.877 -9.231 1.00 0.00 O ATOM 1012 CB SER A 170 -0.931 -6.089 -6.646 1.00 0.00 C ATOM 1013 OG SER A 170 -0.998 -5.726 -5.278 1.00 0.00 O ATOM 0 H SER A 170 -3.333 -6.079 -6.092 1.00 0.00 H new ATOM 0 HA SER A 170 -1.693 -4.251 -7.459 1.00 0.00 H new ATOM 0 HB2 SER A 170 -1.113 -7.159 -6.751 1.00 0.00 H new ATOM 0 HB3 SER A 170 0.072 -5.897 -7.028 1.00 0.00 H new ATOM 0 HG SER A 170 -0.335 -6.239 -4.770 1.00 0.00 H new ATOM 1019 N LEU A 171 -1.354 -4.984 -9.799 1.00 0.00 N ATOM 1020 CA LEU A 171 -1.266 -5.329 -11.214 1.00 0.00 C ATOM 1021 C LEU A 171 -2.644 -5.651 -11.783 1.00 0.00 C ATOM 1022 O LEU A 171 -2.785 -6.526 -12.638 1.00 0.00 O ATOM 1023 CB LEU A 171 -0.329 -6.522 -11.411 1.00 0.00 C ATOM 1024 CG LEU A 171 1.114 -6.327 -10.941 1.00 0.00 C ATOM 1025 CD1 LEU A 171 1.861 -7.651 -10.951 1.00 0.00 C ATOM 1026 CD2 LEU A 171 1.825 -5.305 -11.815 1.00 0.00 C ATOM 0 H LEU A 171 -0.939 -4.084 -9.558 1.00 0.00 H new ATOM 0 HA LEU A 171 -0.865 -4.468 -11.748 1.00 0.00 H new ATOM 0 HB2 LEU A 171 -0.749 -7.379 -10.884 1.00 0.00 H new ATOM 0 HB3 LEU A 171 -0.314 -6.775 -12.471 1.00 0.00 H new ATOM 0 HG LEU A 171 1.096 -5.951 -9.918 1.00 0.00 H new ATOM 0 HD11 LEU A 171 2.886 -7.493 -10.614 1.00 0.00 H new ATOM 0 HD12 LEU A 171 1.364 -8.354 -10.283 1.00 0.00 H new ATOM 0 HD13 LEU A 171 1.870 -8.056 -11.963 1.00 0.00 H new ATOM 0 HD21 LEU A 171 2.850 -5.179 -11.467 1.00 0.00 H new ATOM 0 HD22 LEU A 171 1.833 -5.653 -12.848 1.00 0.00 H new ATOM 0 HD23 LEU A 171 1.302 -4.350 -11.757 1.00 0.00 H new ATOM 1038 N CYS A 172 -3.657 -4.937 -11.305 1.00 0.00 N ATOM 1039 CA CYS A 172 -5.024 -5.144 -11.766 1.00 0.00 C ATOM 1040 C CYS A 172 -5.266 -4.427 -13.091 1.00 0.00 C ATOM 1041 O CYS A 172 -6.407 -4.159 -13.464 1.00 0.00 O ATOM 1042 CB CYS A 172 -6.020 -4.648 -10.716 1.00 0.00 C ATOM 1043 SG CYS A 172 -6.175 -2.835 -10.637 1.00 0.00 S ATOM 0 H CYS A 172 -3.557 -4.209 -10.598 1.00 0.00 H new ATOM 0 HA CYS A 172 -5.171 -6.213 -11.919 1.00 0.00 H new ATOM 0 HB2 CYS A 172 -6.999 -5.077 -10.928 1.00 0.00 H new ATOM 0 HB3 CYS A 172 -5.715 -5.019 -9.737 1.00 0.00 H new ATOM 1048 N ASN A 173 -4.183 -4.120 -13.797 1.00 0.00 N ATOM 1049 CA ASN A 173 -4.276 -3.433 -15.081 1.00 0.00 C ATOM 1050 C ASN A 173 -4.407 -4.434 -16.225 1.00 0.00 C ATOM 1051 O ASN A 173 -4.865 -4.091 -17.315 1.00 0.00 O ATOM 1052 CB ASN A 173 -3.047 -2.549 -15.300 1.00 0.00 C ATOM 1053 CG ASN A 173 -2.452 -2.052 -13.996 1.00 0.00 C ATOM 1054 OD1 ASN A 173 -1.951 -2.837 -13.191 1.00 0.00 O ATOM 1055 ND2 ASN A 173 -2.506 -0.742 -13.783 1.00 0.00 N ATOM 0 H ASN A 173 -3.231 -4.336 -13.502 1.00 0.00 H new ATOM 0 HA ASN A 173 -5.168 -2.806 -15.066 1.00 0.00 H new ATOM 0 HB2 ASN A 173 -2.292 -3.111 -15.850 1.00 0.00 H new ATOM 0 HB3 ASN A 173 -3.323 -1.695 -15.919 1.00 0.00 H new ATOM 0 HD21 ASN A 173 -2.122 -0.349 -12.924 1.00 0.00 H new ATOM 0 HD22 ASN A 173 -2.931 -0.129 -14.479 1.00 0.00 H new ATOM 1062 N HIS A 174 -4.002 -5.674 -15.969 1.00 0.00 N ATOM 1063 CA HIS A 174 -4.075 -6.726 -16.977 1.00 0.00 C ATOM 1064 C HIS A 174 -5.453 -7.381 -16.980 1.00 0.00 C ATOM 1065 O HIS A 174 -6.339 -6.989 -16.220 1.00 0.00 O ATOM 1066 CB HIS A 174 -2.997 -7.780 -16.723 1.00 0.00 C ATOM 1067 CG HIS A 174 -1.691 -7.473 -17.388 1.00 0.00 C ATOM 1068 ND1 HIS A 174 -0.755 -8.440 -17.691 1.00 0.00 N ATOM 1069 CD2 HIS A 174 -1.167 -6.299 -17.812 1.00 0.00 C ATOM 1070 CE1 HIS A 174 0.289 -7.873 -18.270 1.00 0.00 C ATOM 1071 NE2 HIS A 174 0.064 -6.574 -18.355 1.00 0.00 N ATOM 0 H HIS A 174 -3.620 -5.975 -15.072 1.00 0.00 H new ATOM 0 HA HIS A 174 -3.906 -6.272 -17.953 1.00 0.00 H new ATOM 0 HB2 HIS A 174 -2.836 -7.871 -15.649 1.00 0.00 H new ATOM 0 HB3 HIS A 174 -3.356 -8.747 -17.075 1.00 0.00 H new ATOM 0 HD1 HIS A 174 -0.853 -9.437 -17.498 1.00 0.00 H new ATOM 0 HD2 HIS A 174 -1.631 -5.327 -17.737 1.00 0.00 H new ATOM 0 HE1 HIS A 174 1.175 -8.385 -18.615 1.00 0.00 H new ATOM 1079 N ASP A 175 -5.626 -8.378 -17.839 1.00 0.00 N ATOM 1080 CA ASP A 175 -6.896 -9.088 -17.941 1.00 0.00 C ATOM 1081 C ASP A 175 -7.213 -9.825 -16.644 1.00 0.00 C ATOM 1082 O ASP A 175 -6.531 -10.786 -16.282 1.00 0.00 O ATOM 1083 CB ASP A 175 -6.861 -10.076 -19.108 1.00 0.00 C ATOM 1084 CG ASP A 175 -8.244 -10.552 -19.506 1.00 0.00 C ATOM 1085 OD1 ASP A 175 -9.207 -10.262 -18.766 1.00 0.00 O ATOM 1086 OD2 ASP A 175 -8.363 -11.213 -20.558 1.00 0.00 O ATOM 0 H ASP A 175 -4.903 -8.714 -18.475 1.00 0.00 H new ATOM 0 HA ASP A 175 -7.681 -8.353 -18.121 1.00 0.00 H new ATOM 0 HB2 ASP A 175 -6.382 -9.604 -19.966 1.00 0.00 H new ATOM 0 HB3 ASP A 175 -6.249 -10.935 -18.834 1.00 0.00 H new