USER MOD reduce.3.24.130724 H: found=0, std=0, add=374, rem=0, adj=15 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= -2.57! C(o=-2.6!,f=-6.9!) USER MOD Set 1.2: A 174 HIS : no HD1:sc= -0.0607 K(o=-2.6,f=-4.1) USER MOD Single : A 100 MET CE :methyl -151:sc= -0.498 (180deg=-1.58) USER MOD Single : A 105 GLN : amide:sc= -2.89 K(o=-2.9,f=-4.3) 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= -1.42 X(o=-1.4,f=-1.3) USER MOD Single : A 116 SER OG : rot 180:sc= 0 USER MOD Single : A 122 SER OG : rot 174:sc= -1.29 USER MOD Single : A 123 THR OG1 : rot 180:sc= 0 USER MOD Single : A 124 HIS : no HD1:sc= -1.96 K(o=-2,f=-2.6) USER MOD Single : A 127 THR OG1 : rot 130:sc= -0.047 USER MOD Single : A 128 THR OG1 : rot -50:sc= -0.127 USER MOD Single : A 130 THR OG1 : rot 180:sc= -0.173 USER MOD Single : A 143 THR OG1 : rot 4:sc= 0.566 USER MOD Single : A 144 LYS NZ :NH3+ -153:sc= -1.76 (180deg=-1.85!) USER MOD Single : A 145 MET CE :methyl 150:sc= -0.291 (180deg=-1.25!) USER MOD Single : A 147 HIS : no HD1:sc= -0.184 X(o=-0.18,f=-0.38) USER MOD Single : A 163 SER OG : rot 38:sc= 0.0045 USER MOD Single : A 168 GLN : amide:sc= -0.0365 K(o=-0.036,f=-1.2) USER MOD Single : A 169 THR OG1 : rot 180:sc= -1.5 USER MOD Single : A 170 SER OG : rot 180:sc= 0 USER MOD Single : A 173 ASN : amide:sc= -1.36 K(o=-1.4,f=-10!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 100 2.200 0.665 -2.539 1.00 0.00 N ATOM 2 CA MET A 100 2.677 -0.439 -1.715 1.00 0.00 C ATOM 3 C MET A 100 2.689 -1.743 -2.508 1.00 0.00 C ATOM 4 O MET A 100 3.600 -2.559 -2.364 1.00 0.00 O ATOM 5 CB MET A 100 1.800 -0.593 -0.471 1.00 0.00 C ATOM 6 CG MET A 100 2.550 -1.123 0.740 1.00 0.00 C ATOM 7 SD MET A 100 2.893 -2.889 0.626 1.00 0.00 S ATOM 8 CE MET A 100 4.656 -2.872 0.308 1.00 0.00 C ATOM 0 HA MET A 100 3.697 -0.213 -1.405 1.00 0.00 H new ATOM 0 HB2 MET A 100 1.363 0.374 -0.223 1.00 0.00 H new ATOM 0 HB3 MET A 100 0.974 -1.267 -0.700 1.00 0.00 H new ATOM 0 HG2 MET A 100 3.489 -0.581 0.847 1.00 0.00 H new ATOM 0 HG3 MET A 100 1.965 -0.928 1.639 1.00 0.00 H new ATOM 0 HE1 MET A 100 4.929 -3.752 -0.274 1.00 0.00 H new ATOM 0 HE2 MET A 100 4.916 -1.973 -0.250 1.00 0.00 H new ATOM 0 HE3 MET A 100 5.197 -2.881 1.254 1.00 0.00 H new ATOM 18 N ILE A 101 1.672 -1.932 -3.342 1.00 0.00 N ATOM 19 CA ILE A 101 1.567 -3.135 -4.157 1.00 0.00 C ATOM 20 C ILE A 101 2.241 -2.943 -5.512 1.00 0.00 C ATOM 21 O ILE A 101 2.698 -1.848 -5.838 1.00 0.00 O ATOM 22 CB ILE A 101 0.097 -3.538 -4.380 1.00 0.00 C ATOM 23 CG1 ILE A 101 -0.524 -2.688 -5.491 1.00 0.00 C ATOM 24 CG2 ILE A 101 -0.694 -3.391 -3.089 1.00 0.00 C ATOM 25 CD1 ILE A 101 -2.027 -2.829 -5.591 1.00 0.00 C ATOM 0 H ILE A 101 0.909 -1.267 -3.471 1.00 0.00 H new ATOM 0 HA ILE A 101 2.075 -3.930 -3.611 1.00 0.00 H new ATOM 0 HB ILE A 101 0.064 -4.584 -4.686 1.00 0.00 H new ATOM 0 HG12 ILE A 101 -0.276 -1.641 -5.318 1.00 0.00 H new ATOM 0 HG13 ILE A 101 -0.077 -2.968 -6.445 1.00 0.00 H new ATOM 0 HG21 ILE A 101 -1.731 -3.679 -3.263 1.00 0.00 H new ATOM 0 HG22 ILE A 101 -0.262 -4.034 -2.322 1.00 0.00 H new ATOM 0 HG23 ILE A 101 -0.657 -2.354 -2.756 1.00 0.00 H new ATOM 0 HD11 ILE A 101 -2.399 -2.199 -6.399 1.00 0.00 H new ATOM 0 HD12 ILE A 101 -2.282 -3.869 -5.795 1.00 0.00 H new ATOM 0 HD13 ILE A 101 -2.485 -2.521 -4.651 1.00 0.00 H new ATOM 37 N TRP A 102 2.297 -4.013 -6.296 1.00 0.00 N ATOM 38 CA TRP A 102 2.913 -3.962 -7.617 1.00 0.00 C ATOM 39 C TRP A 102 1.853 -3.860 -8.708 1.00 0.00 C ATOM 40 O TRP A 102 0.827 -4.538 -8.655 1.00 0.00 O ATOM 41 CB TRP A 102 3.781 -5.200 -7.845 1.00 0.00 C ATOM 42 CG TRP A 102 4.953 -5.284 -6.914 1.00 0.00 C ATOM 43 CD1 TRP A 102 4.914 -5.330 -5.550 1.00 0.00 C ATOM 44 CD2 TRP A 102 6.336 -5.331 -7.280 1.00 0.00 C ATOM 45 NE1 TRP A 102 6.190 -5.402 -5.045 1.00 0.00 N ATOM 46 CE2 TRP A 102 7.080 -5.405 -6.086 1.00 0.00 C ATOM 47 CE3 TRP A 102 7.019 -5.319 -8.499 1.00 0.00 C ATOM 48 CZ2 TRP A 102 8.471 -5.466 -6.078 1.00 0.00 C ATOM 49 CZ3 TRP A 102 8.400 -5.379 -8.490 1.00 0.00 C ATOM 50 CH2 TRP A 102 9.114 -5.453 -7.287 1.00 0.00 C ATOM 0 H TRP A 102 1.923 -4.927 -6.040 1.00 0.00 H new ATOM 0 HA TRP A 102 3.542 -3.073 -7.664 1.00 0.00 H new ATOM 0 HB2 TRP A 102 3.167 -6.092 -7.726 1.00 0.00 H new ATOM 0 HB3 TRP A 102 4.143 -5.197 -8.873 1.00 0.00 H new ATOM 0 HD1 TRP A 102 4.013 -5.312 -4.955 1.00 0.00 H new ATOM 0 HE1 TRP A 102 6.435 -5.446 -4.056 1.00 0.00 H new ATOM 0 HE3 TRP A 102 6.477 -5.264 -9.432 1.00 0.00 H new ATOM 0 HZ2 TRP A 102 9.023 -5.522 -5.151 1.00 0.00 H new ATOM 0 HZ3 TRP A 102 8.938 -5.369 -9.427 1.00 0.00 H new ATOM 0 HH2 TRP A 102 10.193 -5.501 -7.314 1.00 0.00 H new ATOM 61 N CYS A 103 2.108 -3.009 -9.697 1.00 0.00 N ATOM 62 CA CYS A 103 1.176 -2.819 -10.801 1.00 0.00 C ATOM 63 C CYS A 103 1.923 -2.537 -12.101 1.00 0.00 C ATOM 64 O CYS A 103 3.154 -2.516 -12.130 1.00 0.00 O ATOM 65 CB CYS A 103 0.215 -1.669 -10.493 1.00 0.00 C ATOM 66 SG CYS A 103 -0.631 -1.818 -8.886 1.00 0.00 S ATOM 0 H CYS A 103 2.953 -2.440 -9.756 1.00 0.00 H new ATOM 0 HA CYS A 103 0.604 -3.739 -10.923 1.00 0.00 H new ATOM 0 HB2 CYS A 103 0.769 -0.731 -10.514 1.00 0.00 H new ATOM 0 HB3 CYS A 103 -0.534 -1.614 -11.283 1.00 0.00 H new ATOM 71 N HIS A 104 1.171 -2.320 -13.175 1.00 0.00 N ATOM 72 CA HIS A 104 1.762 -2.037 -14.479 1.00 0.00 C ATOM 73 C HIS A 104 1.829 -0.534 -14.731 1.00 0.00 C ATOM 74 O HIS A 104 0.801 0.136 -14.817 1.00 0.00 O ATOM 75 CB HIS A 104 0.954 -2.716 -15.586 1.00 0.00 C ATOM 76 CG HIS A 104 1.148 -4.200 -15.645 1.00 0.00 C ATOM 77 ND1 HIS A 104 2.355 -4.812 -15.379 1.00 0.00 N ATOM 78 CD2 HIS A 104 0.280 -5.195 -15.942 1.00 0.00 C ATOM 79 CE1 HIS A 104 2.221 -6.120 -15.510 1.00 0.00 C ATOM 80 NE2 HIS A 104 0.971 -6.378 -15.851 1.00 0.00 N ATOM 0 H HIS A 104 0.151 -2.335 -13.169 1.00 0.00 H new ATOM 0 HA HIS A 104 2.777 -2.434 -14.484 1.00 0.00 H new ATOM 0 HB2 HIS A 104 -0.104 -2.502 -15.436 1.00 0.00 H new ATOM 0 HB3 HIS A 104 1.234 -2.283 -16.546 1.00 0.00 H new ATOM 0 HD2 HIS A 104 -0.762 -5.080 -16.202 1.00 0.00 H new ATOM 0 HE1 HIS A 104 3.000 -6.853 -15.363 1.00 0.00 H new ATOM 0 HE2 HIS A 104 0.582 -7.306 -16.019 1.00 0.00 H new ATOM 88 N GLN A 105 3.047 -0.013 -14.846 1.00 0.00 N ATOM 89 CA GLN A 105 3.247 1.411 -15.086 1.00 0.00 C ATOM 90 C GLN A 105 3.741 1.659 -16.508 1.00 0.00 C ATOM 91 O GLN A 105 4.814 2.227 -16.713 1.00 0.00 O ATOM 92 CB GLN A 105 4.246 1.984 -14.079 1.00 0.00 C ATOM 93 CG GLN A 105 3.617 2.368 -12.750 1.00 0.00 C ATOM 94 CD GLN A 105 2.647 1.322 -12.239 1.00 0.00 C ATOM 95 OE1 GLN A 105 1.457 1.357 -12.553 1.00 0.00 O ATOM 96 NE2 GLN A 105 3.151 0.383 -11.447 1.00 0.00 N ATOM 0 H GLN A 105 3.908 -0.555 -14.777 1.00 0.00 H new ATOM 0 HA GLN A 105 2.288 1.913 -14.961 1.00 0.00 H new ATOM 0 HB2 GLN A 105 5.032 1.250 -13.901 1.00 0.00 H new ATOM 0 HB3 GLN A 105 4.723 2.863 -14.513 1.00 0.00 H new ATOM 0 HG2 GLN A 105 4.403 2.520 -12.011 1.00 0.00 H new ATOM 0 HG3 GLN A 105 3.095 3.319 -12.861 1.00 0.00 H new ATOM 0 HE21 GLN A 105 4.144 0.392 -11.213 1.00 0.00 H new ATOM 0 HE22 GLN A 105 2.546 -0.348 -11.073 1.00 0.00 H new ATOM 105 N CYS A 106 2.952 1.229 -17.486 1.00 0.00 N ATOM 106 CA CYS A 106 3.309 1.403 -18.889 1.00 0.00 C ATOM 107 C CYS A 106 2.975 2.814 -19.364 1.00 0.00 C ATOM 108 O CYS A 106 2.057 3.454 -18.850 1.00 0.00 O ATOM 109 CB CYS A 106 2.577 0.375 -19.755 1.00 0.00 C ATOM 110 SG CYS A 106 3.273 0.181 -21.427 1.00 0.00 S ATOM 0 H CYS A 106 2.061 0.757 -17.333 1.00 0.00 H new ATOM 0 HA CYS A 106 4.384 1.250 -18.986 1.00 0.00 H new ATOM 0 HB2 CYS A 106 2.598 -0.591 -19.250 1.00 0.00 H new ATOM 0 HB3 CYS A 106 1.530 0.667 -19.840 1.00 0.00 H new ATOM 115 N THR A 107 3.727 3.294 -20.350 1.00 0.00 N ATOM 116 CA THR A 107 3.512 4.629 -20.895 1.00 0.00 C ATOM 117 C THR A 107 2.444 4.614 -21.983 1.00 0.00 C ATOM 118 O THR A 107 1.813 5.632 -22.261 1.00 0.00 O ATOM 119 CB THR A 107 4.812 5.215 -21.476 1.00 0.00 C ATOM 120 OG1 THR A 107 5.793 5.351 -20.441 1.00 0.00 O ATOM 121 CG2 THR A 107 4.556 6.569 -22.120 1.00 0.00 C ATOM 0 H THR A 107 4.490 2.778 -20.787 1.00 0.00 H new ATOM 0 HA THR A 107 3.177 5.257 -20.069 1.00 0.00 H new ATOM 0 HB THR A 107 5.182 4.532 -22.240 1.00 0.00 H new ATOM 0 HG1 THR A 107 6.617 5.723 -20.819 1.00 0.00 H new ATOM 0 HG21 THR A 107 5.489 6.962 -22.523 1.00 0.00 H new ATOM 0 HG22 THR A 107 3.831 6.457 -22.926 1.00 0.00 H new ATOM 0 HG23 THR A 107 4.164 7.259 -21.373 1.00 0.00 H new ATOM 129 N GLY A 108 2.247 3.450 -22.596 1.00 0.00 N ATOM 130 CA GLY A 108 1.254 3.324 -23.647 1.00 0.00 C ATOM 131 C GLY A 108 1.698 2.389 -24.754 1.00 0.00 C ATOM 132 O GLY A 108 2.498 1.482 -24.527 1.00 0.00 O ATOM 0 H GLY A 108 2.757 2.593 -22.383 1.00 0.00 H new ATOM 0 HA2 GLY A 108 0.321 2.958 -23.219 1.00 0.00 H new ATOM 0 HA3 GLY A 108 1.048 4.308 -24.068 1.00 0.00 H new ATOM 136 N PHE A 109 1.176 2.609 -25.957 1.00 0.00 N ATOM 137 CA PHE A 109 1.521 1.777 -27.103 1.00 0.00 C ATOM 138 C PHE A 109 0.960 0.367 -26.941 1.00 0.00 C ATOM 139 O PHE A 109 1.696 -0.577 -26.657 1.00 0.00 O ATOM 140 CB PHE A 109 3.040 1.717 -27.278 1.00 0.00 C ATOM 141 CG PHE A 109 3.728 3.021 -26.992 1.00 0.00 C ATOM 142 CD1 PHE A 109 3.551 4.111 -27.829 1.00 0.00 C ATOM 143 CD2 PHE A 109 4.554 3.156 -25.887 1.00 0.00 C ATOM 144 CE1 PHE A 109 4.183 5.312 -27.568 1.00 0.00 C ATOM 145 CE2 PHE A 109 5.188 4.355 -25.622 1.00 0.00 C ATOM 146 CZ PHE A 109 5.003 5.434 -26.464 1.00 0.00 C ATOM 0 H PHE A 109 0.513 3.356 -26.163 1.00 0.00 H new ATOM 0 HA PHE A 109 1.077 2.225 -27.992 1.00 0.00 H new ATOM 0 HB2 PHE A 109 3.444 0.950 -26.617 1.00 0.00 H new ATOM 0 HB3 PHE A 109 3.268 1.411 -28.299 1.00 0.00 H new ATOM 0 HD1 PHE A 109 2.912 4.021 -28.695 1.00 0.00 H new ATOM 0 HD2 PHE A 109 4.704 2.315 -25.226 1.00 0.00 H new ATOM 0 HE1 PHE A 109 4.036 6.155 -28.227 1.00 0.00 H new ATOM 0 HE2 PHE A 109 5.828 4.448 -24.757 1.00 0.00 H new ATOM 0 HZ PHE A 109 5.499 6.371 -26.259 1.00 0.00 H new ATOM 156 N GLY A 110 -0.350 0.233 -27.123 1.00 0.00 N ATOM 157 CA GLY A 110 -0.989 -1.063 -26.993 1.00 0.00 C ATOM 158 C GLY A 110 -1.001 -1.562 -25.561 1.00 0.00 C ATOM 159 O GLY A 110 -1.110 -2.762 -25.315 1.00 0.00 O ATOM 0 H GLY A 110 -0.980 1.000 -27.358 1.00 0.00 H new ATOM 0 HA2 GLY A 110 -2.013 -0.998 -27.361 1.00 0.00 H new ATOM 0 HA3 GLY A 110 -0.469 -1.786 -27.622 1.00 0.00 H new ATOM 163 N GLY A 111 -0.887 -0.637 -24.613 1.00 0.00 N ATOM 164 CA GLY A 111 -0.886 -1.009 -23.210 1.00 0.00 C ATOM 165 C GLY A 111 0.078 -2.140 -22.911 1.00 0.00 C ATOM 166 O GLY A 111 -0.338 -3.247 -22.570 1.00 0.00 O ATOM 0 H GLY A 111 -0.795 0.363 -24.791 1.00 0.00 H new ATOM 0 HA2 GLY A 111 -0.621 -0.141 -22.607 1.00 0.00 H new ATOM 0 HA3 GLY A 111 -1.892 -1.306 -22.915 1.00 0.00 H new ATOM 170 N CYS A 112 1.372 -1.863 -23.040 1.00 0.00 N ATOM 171 CA CYS A 112 2.398 -2.865 -22.784 1.00 0.00 C ATOM 172 C CYS A 112 2.298 -3.394 -21.356 1.00 0.00 C ATOM 173 O CYS A 112 1.363 -3.065 -20.626 1.00 0.00 O ATOM 174 CB CYS A 112 3.789 -2.274 -23.024 1.00 0.00 C ATOM 175 SG CYS A 112 4.428 -1.288 -21.632 1.00 0.00 S ATOM 0 H CYS A 112 1.734 -0.952 -23.321 1.00 0.00 H new ATOM 0 HA CYS A 112 2.239 -3.695 -23.472 1.00 0.00 H new ATOM 0 HB2 CYS A 112 4.486 -3.086 -23.231 1.00 0.00 H new ATOM 0 HB3 CYS A 112 3.757 -1.647 -23.915 1.00 0.00 H new ATOM 180 N SER A 113 3.268 -4.214 -20.965 1.00 0.00 N ATOM 181 CA SER A 113 3.287 -4.791 -19.626 1.00 0.00 C ATOM 182 C SER A 113 4.616 -4.508 -18.932 1.00 0.00 C ATOM 183 O SER A 113 5.682 -4.611 -19.540 1.00 0.00 O ATOM 184 CB SER A 113 3.046 -6.301 -19.695 1.00 0.00 C ATOM 185 OG SER A 113 3.731 -6.877 -20.794 1.00 0.00 O ATOM 0 H SER A 113 4.051 -4.494 -21.556 1.00 0.00 H new ATOM 0 HA SER A 113 2.488 -4.329 -19.046 1.00 0.00 H new ATOM 0 HB2 SER A 113 3.380 -6.768 -18.769 1.00 0.00 H new ATOM 0 HB3 SER A 113 1.978 -6.498 -19.784 1.00 0.00 H new ATOM 0 HG SER A 113 3.562 -7.842 -20.815 1.00 0.00 H new ATOM 191 N HIS A 114 4.544 -4.151 -17.653 1.00 0.00 N ATOM 192 CA HIS A 114 5.741 -3.853 -16.874 1.00 0.00 C ATOM 193 C HIS A 114 5.401 -3.696 -15.395 1.00 0.00 C ATOM 194 O HIS A 114 4.997 -2.622 -14.952 1.00 0.00 O ATOM 195 CB HIS A 114 6.410 -2.581 -17.394 1.00 0.00 C ATOM 196 CG HIS A 114 7.474 -2.838 -18.416 1.00 0.00 C ATOM 197 ND1 HIS A 114 7.605 -2.095 -19.570 1.00 0.00 N ATOM 198 CD2 HIS A 114 8.462 -3.762 -18.451 1.00 0.00 C ATOM 199 CE1 HIS A 114 8.627 -2.552 -20.272 1.00 0.00 C ATOM 200 NE2 HIS A 114 9.164 -3.563 -19.615 1.00 0.00 N ATOM 0 H HIS A 114 3.670 -4.061 -17.135 1.00 0.00 H new ATOM 0 HA HIS A 114 6.433 -4.688 -16.983 1.00 0.00 H new ATOM 0 HB2 HIS A 114 5.650 -1.932 -17.829 1.00 0.00 H new ATOM 0 HB3 HIS A 114 6.847 -2.041 -16.554 1.00 0.00 H new ATOM 0 HD2 HIS A 114 8.661 -4.515 -17.703 1.00 0.00 H new ATOM 0 HE1 HIS A 114 8.965 -2.164 -21.222 1.00 0.00 H new ATOM 0 HE2 HIS A 114 9.970 -4.108 -19.922 1.00 0.00 H new ATOM 208 N GLY A 115 5.567 -4.775 -14.636 1.00 0.00 N ATOM 209 CA GLY A 115 5.272 -4.736 -13.216 1.00 0.00 C ATOM 210 C GLY A 115 6.281 -3.915 -12.437 1.00 0.00 C ATOM 211 O GLY A 115 7.404 -4.361 -12.200 1.00 0.00 O ATOM 0 H GLY A 115 5.901 -5.676 -14.980 1.00 0.00 H new ATOM 0 HA2 GLY A 115 4.276 -4.319 -13.066 1.00 0.00 H new ATOM 0 HA3 GLY A 115 5.255 -5.753 -12.823 1.00 0.00 H new ATOM 215 N SER A 116 5.882 -2.711 -12.040 1.00 0.00 N ATOM 216 CA SER A 116 6.762 -1.824 -11.288 1.00 0.00 C ATOM 217 C SER A 116 6.204 -1.560 -9.893 1.00 0.00 C ATOM 218 O SER A 116 5.002 -1.689 -9.658 1.00 0.00 O ATOM 219 CB SER A 116 6.946 -0.501 -12.035 1.00 0.00 C ATOM 220 OG SER A 116 7.520 -0.713 -13.313 1.00 0.00 O ATOM 0 H SER A 116 4.955 -2.327 -12.226 1.00 0.00 H new ATOM 0 HA SER A 116 7.730 -2.314 -11.186 1.00 0.00 H new ATOM 0 HB2 SER A 116 5.982 -0.004 -12.144 1.00 0.00 H new ATOM 0 HB3 SER A 116 7.584 0.164 -11.452 1.00 0.00 H new ATOM 0 HG SER A 116 7.626 0.147 -13.771 1.00 0.00 H new ATOM 226 N ARG A 117 7.086 -1.189 -8.970 1.00 0.00 N ATOM 227 CA ARG A 117 6.683 -0.907 -7.598 1.00 0.00 C ATOM 228 C ARG A 117 5.974 0.441 -7.505 1.00 0.00 C ATOM 229 O ARG A 117 6.528 1.473 -7.884 1.00 0.00 O ATOM 230 CB ARG A 117 7.902 -0.920 -6.673 1.00 0.00 C ATOM 231 CG ARG A 117 8.538 -2.292 -6.523 1.00 0.00 C ATOM 232 CD ARG A 117 9.855 -2.215 -5.767 1.00 0.00 C ATOM 233 NE ARG A 117 10.880 -1.502 -6.524 1.00 0.00 N ATOM 234 CZ ARG A 117 12.125 -1.329 -6.094 1.00 0.00 C ATOM 235 NH1 ARG A 117 12.497 -1.815 -4.918 1.00 0.00 N ATOM 236 NH2 ARG A 117 13.001 -0.668 -6.841 1.00 0.00 N ATOM 0 H ARG A 117 8.084 -1.077 -9.148 1.00 0.00 H new ATOM 0 HA ARG A 117 5.988 -1.685 -7.283 1.00 0.00 H new ATOM 0 HB2 ARG A 117 8.647 -0.224 -7.058 1.00 0.00 H new ATOM 0 HB3 ARG A 117 7.605 -0.557 -5.689 1.00 0.00 H new ATOM 0 HG2 ARG A 117 7.853 -2.956 -5.996 1.00 0.00 H new ATOM 0 HG3 ARG A 117 8.708 -2.725 -7.509 1.00 0.00 H new ATOM 0 HD2 ARG A 117 9.696 -1.714 -4.812 1.00 0.00 H new ATOM 0 HD3 ARG A 117 10.204 -3.223 -5.544 1.00 0.00 H new ATOM 0 HE ARG A 117 10.626 -1.115 -7.433 1.00 0.00 H new ATOM 0 HH11 ARG A 117 11.827 -2.323 -4.341 1.00 0.00 H new ATOM 0 HH12 ARG A 117 13.454 -1.681 -4.590 1.00 0.00 H new ATOM 0 HH21 ARG A 117 12.718 -0.292 -7.746 1.00 0.00 H new ATOM 0 HH22 ARG A 117 13.957 -0.536 -6.510 1.00 0.00 H new ATOM 250 N CYS A 118 4.746 0.424 -6.998 1.00 0.00 N ATOM 251 CA CYS A 118 3.960 1.644 -6.856 1.00 0.00 C ATOM 252 C CYS A 118 4.409 2.441 -5.634 1.00 0.00 C ATOM 253 O CYS A 118 5.136 1.932 -4.780 1.00 0.00 O ATOM 254 CB CYS A 118 2.473 1.307 -6.740 1.00 0.00 C ATOM 255 SG CYS A 118 1.793 0.436 -8.188 1.00 0.00 S ATOM 0 H CYS A 118 4.273 -0.422 -6.678 1.00 0.00 H new ATOM 0 HA CYS A 118 4.119 2.254 -7.745 1.00 0.00 H new ATOM 0 HB2 CYS A 118 2.319 0.691 -5.854 1.00 0.00 H new ATOM 0 HB3 CYS A 118 1.913 2.230 -6.588 1.00 0.00 H new ATOM 260 N LEU A 119 3.972 3.693 -5.558 1.00 0.00 N ATOM 261 CA LEU A 119 4.327 4.561 -4.441 1.00 0.00 C ATOM 262 C LEU A 119 3.941 3.922 -3.110 1.00 0.00 C ATOM 263 O LEU A 119 2.905 3.266 -3.003 1.00 0.00 O ATOM 264 CB LEU A 119 3.640 5.920 -4.586 1.00 0.00 C ATOM 265 CG LEU A 119 4.437 6.999 -5.320 1.00 0.00 C ATOM 266 CD1 LEU A 119 5.321 6.377 -6.388 1.00 0.00 C ATOM 267 CD2 LEU A 119 3.499 8.029 -5.934 1.00 0.00 C ATOM 0 H LEU A 119 3.371 4.130 -6.257 1.00 0.00 H new ATOM 0 HA LEU A 119 5.407 4.704 -4.454 1.00 0.00 H new ATOM 0 HB2 LEU A 119 2.696 5.773 -5.111 1.00 0.00 H new ATOM 0 HB3 LEU A 119 3.397 6.290 -3.590 1.00 0.00 H new ATOM 0 HG LEU A 119 5.078 7.505 -4.598 1.00 0.00 H new ATOM 0 HD11 LEU A 119 5.880 7.161 -6.899 1.00 0.00 H new ATOM 0 HD12 LEU A 119 6.017 5.679 -5.923 1.00 0.00 H new ATOM 0 HD13 LEU A 119 4.701 5.845 -7.109 1.00 0.00 H new ATOM 0 HD21 LEU A 119 4.083 8.790 -6.452 1.00 0.00 H new ATOM 0 HD22 LEU A 119 2.833 7.537 -6.643 1.00 0.00 H new ATOM 0 HD23 LEU A 119 2.909 8.499 -5.147 1.00 0.00 H new ATOM 279 N ARG A 120 4.779 4.122 -2.099 1.00 0.00 N ATOM 280 CA ARG A 120 4.524 3.566 -0.775 1.00 0.00 C ATOM 281 C ARG A 120 3.089 3.841 -0.337 1.00 0.00 C ATOM 282 O ARG A 120 2.458 3.009 0.316 1.00 0.00 O ATOM 283 CB ARG A 120 5.501 4.155 0.245 1.00 0.00 C ATOM 284 CG ARG A 120 5.680 5.659 0.119 1.00 0.00 C ATOM 285 CD ARG A 120 6.514 6.219 1.261 1.00 0.00 C ATOM 286 NE ARG A 120 6.861 7.621 1.049 1.00 0.00 N ATOM 287 CZ ARG A 120 7.340 8.412 2.003 1.00 0.00 C ATOM 288 NH1 ARG A 120 7.528 7.940 3.228 1.00 0.00 N ATOM 289 NH2 ARG A 120 7.633 9.678 1.733 1.00 0.00 N ATOM 0 H ARG A 120 5.640 4.664 -2.171 1.00 0.00 H new ATOM 0 HA ARG A 120 4.669 2.487 -0.827 1.00 0.00 H new ATOM 0 HB2 ARG A 120 5.148 3.923 1.250 1.00 0.00 H new ATOM 0 HB3 ARG A 120 6.471 3.671 0.128 1.00 0.00 H new ATOM 0 HG2 ARG A 120 6.161 5.891 -0.831 1.00 0.00 H new ATOM 0 HG3 ARG A 120 4.703 6.143 0.109 1.00 0.00 H new ATOM 0 HD2 ARG A 120 5.962 6.120 2.196 1.00 0.00 H new ATOM 0 HD3 ARG A 120 7.426 5.632 1.366 1.00 0.00 H new ATOM 0 HE ARG A 120 6.728 8.015 0.118 1.00 0.00 H new ATOM 0 HH11 ARG A 120 7.305 6.968 3.440 1.00 0.00 H new ATOM 0 HH12 ARG A 120 7.896 8.549 3.958 1.00 0.00 H new ATOM 0 HH21 ARG A 120 7.490 10.045 0.792 1.00 0.00 H new ATOM 0 HH22 ARG A 120 8.001 10.284 2.466 1.00 0.00 H new ATOM 303 N ASP A 121 2.578 5.012 -0.701 1.00 0.00 N ATOM 304 CA ASP A 121 1.217 5.396 -0.346 1.00 0.00 C ATOM 305 C ASP A 121 0.218 4.858 -1.366 1.00 0.00 C ATOM 306 O ASP A 121 -0.905 4.494 -1.017 1.00 0.00 O ATOM 307 CB ASP A 121 1.101 6.919 -0.255 1.00 0.00 C ATOM 308 CG ASP A 121 1.758 7.475 0.993 1.00 0.00 C ATOM 309 OD1 ASP A 121 1.952 6.704 1.956 1.00 0.00 O ATOM 310 OD2 ASP A 121 2.079 8.682 1.006 1.00 0.00 O ATOM 0 H ASP A 121 3.086 5.712 -1.242 1.00 0.00 H new ATOM 0 HA ASP A 121 0.985 4.963 0.627 1.00 0.00 H new ATOM 0 HB2 ASP A 121 1.560 7.369 -1.135 1.00 0.00 H new ATOM 0 HB3 ASP A 121 0.048 7.202 -0.265 1.00 0.00 H new ATOM 315 N SER A 122 0.634 4.812 -2.627 1.00 0.00 N ATOM 316 CA SER A 122 -0.227 4.324 -3.699 1.00 0.00 C ATOM 317 C SER A 122 -0.422 2.814 -3.593 1.00 0.00 C ATOM 318 O SER A 122 0.401 2.034 -4.073 1.00 0.00 O ATOM 319 CB SER A 122 0.370 4.678 -5.062 1.00 0.00 C ATOM 320 OG SER A 122 0.439 6.082 -5.239 1.00 0.00 O ATOM 0 H SER A 122 1.562 5.107 -2.932 1.00 0.00 H new ATOM 0 HA SER A 122 -1.199 4.807 -3.600 1.00 0.00 H new ATOM 0 HB2 SER A 122 1.368 4.248 -5.148 1.00 0.00 H new ATOM 0 HB3 SER A 122 -0.236 4.238 -5.854 1.00 0.00 H new ATOM 0 HG SER A 122 0.912 6.284 -6.073 1.00 0.00 H new ATOM 326 N THR A 123 -1.518 2.408 -2.959 1.00 0.00 N ATOM 327 CA THR A 123 -1.822 0.994 -2.788 1.00 0.00 C ATOM 328 C THR A 123 -2.884 0.535 -3.781 1.00 0.00 C ATOM 329 O THR A 123 -3.546 -0.482 -3.573 1.00 0.00 O ATOM 330 CB THR A 123 -2.310 0.693 -1.358 1.00 0.00 C ATOM 331 OG1 THR A 123 -2.123 1.842 -0.525 1.00 0.00 O ATOM 332 CG2 THR A 123 -1.560 -0.493 -0.770 1.00 0.00 C ATOM 0 H THR A 123 -2.210 3.040 -2.556 1.00 0.00 H new ATOM 0 HA THR A 123 -0.896 0.448 -2.971 1.00 0.00 H new ATOM 0 HB THR A 123 -3.371 0.446 -1.403 1.00 0.00 H new ATOM 0 HG1 THR A 123 -2.437 1.643 0.382 1.00 0.00 H new ATOM 0 HG21 THR A 123 -1.921 -0.687 0.240 1.00 0.00 H new ATOM 0 HG22 THR A 123 -1.727 -1.373 -1.391 1.00 0.00 H new ATOM 0 HG23 THR A 123 -0.494 -0.269 -0.737 1.00 0.00 H new ATOM 340 N HIS A 124 -3.043 1.292 -4.863 1.00 0.00 N ATOM 341 CA HIS A 124 -4.024 0.963 -5.890 1.00 0.00 C ATOM 342 C HIS A 124 -3.481 1.275 -7.281 1.00 0.00 C ATOM 343 O HIS A 124 -2.576 2.095 -7.436 1.00 0.00 O ATOM 344 CB HIS A 124 -5.322 1.735 -5.651 1.00 0.00 C ATOM 345 CG HIS A 124 -5.814 1.659 -4.239 1.00 0.00 C ATOM 346 ND1 HIS A 124 -6.910 0.911 -3.863 1.00 0.00 N ATOM 347 CD2 HIS A 124 -5.351 2.240 -3.108 1.00 0.00 C ATOM 348 CE1 HIS A 124 -7.101 1.038 -2.562 1.00 0.00 C ATOM 349 NE2 HIS A 124 -6.168 1.839 -2.080 1.00 0.00 N ATOM 0 H HIS A 124 -2.504 2.138 -5.050 1.00 0.00 H new ATOM 0 HA HIS A 124 -4.230 -0.106 -5.832 1.00 0.00 H new ATOM 0 HB2 HIS A 124 -5.167 2.781 -5.917 1.00 0.00 H new ATOM 0 HB3 HIS A 124 -6.093 1.348 -6.317 1.00 0.00 H new ATOM 0 HD2 HIS A 124 -4.497 2.897 -3.029 1.00 0.00 H new ATOM 0 HE1 HIS A 124 -7.887 0.567 -1.990 1.00 0.00 H new ATOM 0 HE2 HIS A 124 -6.070 2.115 -1.103 1.00 0.00 H new ATOM 357 N CYS A 125 -4.038 0.614 -8.290 1.00 0.00 N ATOM 358 CA CYS A 125 -3.609 0.819 -9.669 1.00 0.00 C ATOM 359 C CYS A 125 -4.712 1.484 -10.488 1.00 0.00 C ATOM 360 O CYS A 125 -5.890 1.409 -10.139 1.00 0.00 O ATOM 361 CB CYS A 125 -3.218 -0.515 -10.307 1.00 0.00 C ATOM 362 SG CYS A 125 -2.515 -1.721 -9.137 1.00 0.00 S ATOM 0 H CYS A 125 -4.788 -0.069 -8.179 1.00 0.00 H new ATOM 0 HA CYS A 125 -2.740 1.477 -9.659 1.00 0.00 H new ATOM 0 HB2 CYS A 125 -4.099 -0.952 -10.778 1.00 0.00 H new ATOM 0 HB3 CYS A 125 -2.493 -0.328 -11.099 1.00 0.00 H new ATOM 367 N VAL A 126 -4.320 2.134 -11.579 1.00 0.00 N ATOM 368 CA VAL A 126 -5.274 2.811 -12.450 1.00 0.00 C ATOM 369 C VAL A 126 -4.955 2.556 -13.919 1.00 0.00 C ATOM 370 O VAL A 126 -3.791 2.558 -14.322 1.00 0.00 O ATOM 371 CB VAL A 126 -5.287 4.329 -12.194 1.00 0.00 C ATOM 372 CG1 VAL A 126 -6.228 5.026 -13.166 1.00 0.00 C ATOM 373 CG2 VAL A 126 -5.680 4.624 -10.755 1.00 0.00 C ATOM 0 H VAL A 126 -3.348 2.206 -11.881 1.00 0.00 H new ATOM 0 HA VAL A 126 -6.258 2.403 -12.220 1.00 0.00 H new ATOM 0 HB VAL A 126 -4.281 4.716 -12.358 1.00 0.00 H new ATOM 0 HG11 VAL A 126 -6.224 6.098 -12.970 1.00 0.00 H new ATOM 0 HG12 VAL A 126 -5.897 4.843 -14.188 1.00 0.00 H new ATOM 0 HG13 VAL A 126 -7.238 4.637 -13.037 1.00 0.00 H new ATOM 0 HG21 VAL A 126 -5.684 5.702 -10.593 1.00 0.00 H new ATOM 0 HG22 VAL A 126 -6.675 4.224 -10.560 1.00 0.00 H new ATOM 0 HG23 VAL A 126 -4.963 4.158 -10.079 1.00 0.00 H new ATOM 383 N THR A 127 -5.996 2.337 -14.716 1.00 0.00 N ATOM 384 CA THR A 127 -5.827 2.080 -16.140 1.00 0.00 C ATOM 385 C THR A 127 -6.632 3.068 -16.977 1.00 0.00 C ATOM 386 O THR A 127 -7.861 2.998 -17.027 1.00 0.00 O ATOM 387 CB THR A 127 -6.254 0.646 -16.507 1.00 0.00 C ATOM 388 OG1 THR A 127 -5.839 -0.265 -15.484 1.00 0.00 O ATOM 389 CG2 THR A 127 -5.654 0.227 -17.841 1.00 0.00 C ATOM 0 H THR A 127 -6.965 2.333 -14.399 1.00 0.00 H new ATOM 0 HA THR A 127 -4.766 2.203 -16.359 1.00 0.00 H new ATOM 0 HB THR A 127 -7.340 0.625 -16.593 1.00 0.00 H new ATOM 0 HG1 THR A 127 -6.597 -0.826 -15.218 1.00 0.00 H new ATOM 0 HG21 THR A 127 -5.970 -0.789 -18.079 1.00 0.00 H new ATOM 0 HG22 THR A 127 -5.996 0.905 -18.623 1.00 0.00 H new ATOM 0 HG23 THR A 127 -4.566 0.264 -17.778 1.00 0.00 H new ATOM 397 N THR A 128 -5.933 3.988 -17.634 1.00 0.00 N ATOM 398 CA THR A 128 -6.584 4.991 -18.468 1.00 0.00 C ATOM 399 C THR A 128 -6.237 4.791 -19.939 1.00 0.00 C ATOM 400 O THR A 128 -5.366 3.991 -20.278 1.00 0.00 O ATOM 401 CB THR A 128 -6.184 6.417 -18.047 1.00 0.00 C ATOM 402 OG1 THR A 128 -4.896 6.743 -18.581 1.00 0.00 O ATOM 403 CG2 THR A 128 -6.157 6.547 -16.531 1.00 0.00 C ATOM 0 H THR A 128 -4.916 4.059 -17.605 1.00 0.00 H new ATOM 0 HA THR A 128 -7.658 4.868 -18.331 1.00 0.00 H new ATOM 0 HB THR A 128 -6.927 7.110 -18.442 1.00 0.00 H new ATOM 0 HG1 THR A 128 -4.262 6.027 -18.367 1.00 0.00 H new ATOM 0 HG21 THR A 128 -5.872 7.563 -16.258 1.00 0.00 H new ATOM 0 HG22 THR A 128 -7.146 6.327 -16.129 1.00 0.00 H new ATOM 0 HG23 THR A 128 -5.434 5.844 -16.118 1.00 0.00 H new ATOM 411 N ALA A 129 -6.924 5.525 -20.809 1.00 0.00 N ATOM 412 CA ALA A 129 -6.686 5.430 -22.244 1.00 0.00 C ATOM 413 C ALA A 129 -6.861 6.785 -22.920 1.00 0.00 C ATOM 414 O ALA A 129 -7.942 7.374 -22.886 1.00 0.00 O ATOM 415 CB ALA A 129 -7.620 4.403 -22.867 1.00 0.00 C ATOM 0 H ALA A 129 -7.649 6.192 -20.545 1.00 0.00 H new ATOM 0 HA ALA A 129 -5.656 5.108 -22.396 1.00 0.00 H new ATOM 0 HB1 ALA A 129 -7.431 4.342 -23.939 1.00 0.00 H new ATOM 0 HB2 ALA A 129 -7.444 3.428 -22.412 1.00 0.00 H new ATOM 0 HB3 ALA A 129 -8.654 4.702 -22.697 1.00 0.00 H new ATOM 421 N THR A 130 -5.789 7.277 -23.534 1.00 0.00 N ATOM 422 CA THR A 130 -5.823 8.565 -24.217 1.00 0.00 C ATOM 423 C THR A 130 -5.855 8.384 -25.730 1.00 0.00 C ATOM 424 O THR A 130 -5.324 7.407 -26.259 1.00 0.00 O ATOM 425 CB THR A 130 -4.608 9.433 -23.840 1.00 0.00 C ATOM 426 OG1 THR A 130 -3.462 8.603 -23.622 1.00 0.00 O ATOM 427 CG2 THR A 130 -4.894 10.250 -22.589 1.00 0.00 C ATOM 0 H THR A 130 -4.887 6.803 -23.572 1.00 0.00 H new ATOM 0 HA THR A 130 -6.734 9.070 -23.895 1.00 0.00 H new ATOM 0 HB THR A 130 -4.409 10.118 -24.664 1.00 0.00 H new ATOM 0 HG1 THR A 130 -2.693 9.163 -23.384 1.00 0.00 H new ATOM 0 HG21 THR A 130 -4.022 10.855 -22.342 1.00 0.00 H new ATOM 0 HG22 THR A 130 -5.749 10.902 -22.768 1.00 0.00 H new ATOM 0 HG23 THR A 130 -5.117 9.579 -21.759 1.00 0.00 H new ATOM 579 N PRO A 140 -4.441 2.783 -29.650 1.00 0.00 N ATOM 580 CA PRO A 140 -4.398 4.120 -29.049 1.00 0.00 C ATOM 581 C PRO A 140 -3.250 4.273 -28.057 1.00 0.00 C ATOM 582 O PRO A 140 -2.361 3.423 -27.984 1.00 0.00 O ATOM 583 CB PRO A 140 -5.745 4.228 -28.329 1.00 0.00 C ATOM 584 CG PRO A 140 -6.136 2.819 -28.043 1.00 0.00 C ATOM 585 CD PRO A 140 -5.598 2.000 -29.184 1.00 0.00 C ATOM 0 HA PRO A 140 -4.234 4.898 -29.795 1.00 0.00 H new ATOM 0 HB2 PRO A 140 -5.658 4.809 -27.411 1.00 0.00 H new ATOM 0 HB3 PRO A 140 -6.488 4.726 -28.952 1.00 0.00 H new ATOM 0 HG2 PRO A 140 -5.721 2.484 -27.092 1.00 0.00 H new ATOM 0 HG3 PRO A 140 -7.219 2.722 -27.970 1.00 0.00 H new ATOM 0 HD2 PRO A 140 -5.303 1.002 -28.859 1.00 0.00 H new ATOM 0 HD3 PRO A 140 -6.340 1.872 -29.972 1.00 0.00 H new ATOM 593 N LEU A 141 -3.275 5.360 -27.294 1.00 0.00 N ATOM 594 CA LEU A 141 -2.236 5.625 -26.305 1.00 0.00 C ATOM 595 C LEU A 141 -2.707 5.244 -24.905 1.00 0.00 C ATOM 596 O LEU A 141 -3.520 5.943 -24.301 1.00 0.00 O ATOM 597 CB LEU A 141 -1.837 7.101 -26.338 1.00 0.00 C ATOM 598 CG LEU A 141 -0.379 7.411 -25.997 1.00 0.00 C ATOM 599 CD1 LEU A 141 -0.168 8.911 -25.866 1.00 0.00 C ATOM 600 CD2 LEU A 141 0.032 6.699 -24.716 1.00 0.00 C ATOM 0 H LEU A 141 -4.004 6.072 -27.341 1.00 0.00 H new ATOM 0 HA LEU A 141 -1.368 5.015 -26.554 1.00 0.00 H new ATOM 0 HB2 LEU A 141 -2.047 7.491 -27.334 1.00 0.00 H new ATOM 0 HB3 LEU A 141 -2.475 7.645 -25.642 1.00 0.00 H new ATOM 0 HG LEU A 141 0.249 7.046 -26.810 1.00 0.00 H new ATOM 0 HD11 LEU A 141 0.875 9.112 -25.623 1.00 0.00 H new ATOM 0 HD12 LEU A 141 -0.422 9.398 -26.808 1.00 0.00 H new ATOM 0 HD13 LEU A 141 -0.806 9.300 -25.073 1.00 0.00 H new ATOM 0 HD21 LEU A 141 1.072 6.931 -24.489 1.00 0.00 H new ATOM 0 HD22 LEU A 141 -0.602 7.033 -23.895 1.00 0.00 H new ATOM 0 HD23 LEU A 141 -0.080 5.623 -24.846 1.00 0.00 H new ATOM 612 N VAL A 142 -2.188 4.132 -24.394 1.00 0.00 N ATOM 613 CA VAL A 142 -2.553 3.660 -23.064 1.00 0.00 C ATOM 614 C VAL A 142 -1.716 4.344 -21.989 1.00 0.00 C ATOM 615 O VAL A 142 -0.625 4.846 -22.261 1.00 0.00 O ATOM 616 CB VAL A 142 -2.377 2.134 -22.942 1.00 0.00 C ATOM 617 CG1 VAL A 142 -2.931 1.637 -21.616 1.00 0.00 C ATOM 618 CG2 VAL A 142 -3.048 1.426 -24.109 1.00 0.00 C ATOM 0 H VAL A 142 -1.514 3.542 -24.881 1.00 0.00 H new ATOM 0 HA VAL A 142 -3.604 3.910 -22.917 1.00 0.00 H new ATOM 0 HB VAL A 142 -1.312 1.905 -22.972 1.00 0.00 H new ATOM 0 HG11 VAL A 142 -2.798 0.557 -21.548 1.00 0.00 H new ATOM 0 HG12 VAL A 142 -2.400 2.121 -20.796 1.00 0.00 H new ATOM 0 HG13 VAL A 142 -3.992 1.876 -21.553 1.00 0.00 H new ATOM 0 HG21 VAL A 142 -2.914 0.349 -24.007 1.00 0.00 H new ATOM 0 HG22 VAL A 142 -4.112 1.660 -24.113 1.00 0.00 H new ATOM 0 HG23 VAL A 142 -2.599 1.760 -25.044 1.00 0.00 H new ATOM 628 N THR A 143 -2.234 4.361 -20.765 1.00 0.00 N ATOM 629 CA THR A 143 -1.535 4.984 -19.648 1.00 0.00 C ATOM 630 C THR A 143 -1.981 4.386 -18.318 1.00 0.00 C ATOM 631 O THR A 143 -3.152 4.472 -17.948 1.00 0.00 O ATOM 632 CB THR A 143 -1.770 6.506 -19.618 1.00 0.00 C ATOM 633 OG1 THR A 143 -1.200 7.113 -20.783 1.00 0.00 O ATOM 634 CG2 THR A 143 -1.159 7.123 -18.368 1.00 0.00 C ATOM 0 H THR A 143 -3.135 3.950 -20.522 1.00 0.00 H new ATOM 0 HA THR A 143 -0.472 4.790 -19.792 1.00 0.00 H new ATOM 0 HB THR A 143 -2.845 6.685 -19.605 1.00 0.00 H new ATOM 0 HG1 THR A 143 -0.836 6.417 -21.369 1.00 0.00 H new ATOM 0 HG21 THR A 143 -1.337 8.198 -18.369 1.00 0.00 H new ATOM 0 HG22 THR A 143 -1.616 6.680 -17.483 1.00 0.00 H new ATOM 0 HG23 THR A 143 -0.086 6.933 -18.356 1.00 0.00 H new ATOM 642 N LYS A 144 -1.039 3.781 -17.602 1.00 0.00 N ATOM 643 CA LYS A 144 -1.333 3.170 -16.311 1.00 0.00 C ATOM 644 C LYS A 144 -0.482 3.792 -15.209 1.00 0.00 C ATOM 645 O LYS A 144 0.588 4.338 -15.472 1.00 0.00 O ATOM 646 CB LYS A 144 -1.087 1.661 -16.370 1.00 0.00 C ATOM 647 CG LYS A 144 -2.151 0.901 -17.144 1.00 0.00 C ATOM 648 CD LYS A 144 -1.769 0.740 -18.606 1.00 0.00 C ATOM 649 CE LYS A 144 -0.876 -0.473 -18.818 1.00 0.00 C ATOM 650 NZ LYS A 144 -1.088 -1.091 -20.156 1.00 0.00 N ATOM 0 H LYS A 144 -0.065 3.701 -17.894 1.00 0.00 H new ATOM 0 HA LYS A 144 -2.383 3.352 -16.081 1.00 0.00 H new ATOM 0 HB2 LYS A 144 -0.115 1.477 -16.829 1.00 0.00 H new ATOM 0 HB3 LYS A 144 -1.039 1.269 -15.354 1.00 0.00 H new ATOM 0 HG2 LYS A 144 -2.297 -0.081 -16.695 1.00 0.00 H new ATOM 0 HG3 LYS A 144 -3.102 1.429 -17.071 1.00 0.00 H new ATOM 0 HD2 LYS A 144 -2.671 0.639 -19.210 1.00 0.00 H new ATOM 0 HD3 LYS A 144 -1.254 1.637 -18.950 1.00 0.00 H new ATOM 0 HE2 LYS A 144 0.168 -0.177 -18.716 1.00 0.00 H new ATOM 0 HE3 LYS A 144 -1.076 -1.211 -18.041 1.00 0.00 H new ATOM 0 HZ1 LYS A 144 -0.851 -2.103 -20.113 1.00 0.00 H new ATOM 0 HZ2 LYS A 144 -2.084 -0.980 -20.436 1.00 0.00 H new ATOM 0 HZ3 LYS A 144 -0.478 -0.622 -20.856 1.00 0.00 H new ATOM 664 N MET A 145 -0.965 3.703 -13.974 1.00 0.00 N ATOM 665 CA MET A 145 -0.247 4.255 -12.831 1.00 0.00 C ATOM 666 C MET A 145 -0.815 3.719 -11.521 1.00 0.00 C ATOM 667 O MET A 145 -1.615 2.783 -11.516 1.00 0.00 O ATOM 668 CB MET A 145 -0.320 5.783 -12.845 1.00 0.00 C ATOM 669 CG MET A 145 -1.623 6.334 -12.289 1.00 0.00 C ATOM 670 SD MET A 145 -2.093 7.901 -13.048 1.00 0.00 S ATOM 671 CE MET A 145 -2.283 7.405 -14.758 1.00 0.00 C ATOM 0 H MET A 145 -1.850 3.254 -13.739 1.00 0.00 H new ATOM 0 HA MET A 145 0.796 3.948 -12.906 1.00 0.00 H new ATOM 0 HB2 MET A 145 0.511 6.184 -12.265 1.00 0.00 H new ATOM 0 HB3 MET A 145 -0.193 6.135 -13.869 1.00 0.00 H new ATOM 0 HG2 MET A 145 -2.418 5.605 -12.447 1.00 0.00 H new ATOM 0 HG3 MET A 145 -1.525 6.471 -11.212 1.00 0.00 H new ATOM 0 HE1 MET A 145 -3.035 8.032 -15.237 1.00 0.00 H new ATOM 0 HE2 MET A 145 -1.331 7.518 -15.277 1.00 0.00 H new ATOM 0 HE3 MET A 145 -2.599 6.363 -14.802 1.00 0.00 H new ATOM 681 N CYS A 146 -0.398 4.318 -10.411 1.00 0.00 N ATOM 682 CA CYS A 146 -0.864 3.901 -9.094 1.00 0.00 C ATOM 683 C CYS A 146 -1.230 5.111 -8.238 1.00 0.00 C ATOM 684 O CYS A 146 -0.718 6.211 -8.449 1.00 0.00 O ATOM 685 CB CYS A 146 0.209 3.070 -8.389 1.00 0.00 C ATOM 686 SG CYS A 146 0.990 1.811 -9.450 1.00 0.00 S ATOM 0 H CYS A 146 0.263 5.095 -10.397 1.00 0.00 H new ATOM 0 HA CYS A 146 -1.756 3.290 -9.229 1.00 0.00 H new ATOM 0 HB2 CYS A 146 0.981 3.739 -8.009 1.00 0.00 H new ATOM 0 HB3 CYS A 146 -0.238 2.576 -7.526 1.00 0.00 H new ATOM 691 N HIS A 147 -2.117 4.899 -7.272 1.00 0.00 N ATOM 692 CA HIS A 147 -2.551 5.971 -6.383 1.00 0.00 C ATOM 693 C HIS A 147 -3.296 5.408 -5.176 1.00 0.00 C ATOM 694 O HIS A 147 -3.549 4.206 -5.097 1.00 0.00 O ATOM 695 CB HIS A 147 -3.446 6.955 -7.136 1.00 0.00 C ATOM 696 CG HIS A 147 -3.349 8.361 -6.630 1.00 0.00 C ATOM 697 ND1 HIS A 147 -4.361 8.980 -5.927 1.00 0.00 N ATOM 698 CD2 HIS A 147 -2.350 9.270 -6.726 1.00 0.00 C ATOM 699 CE1 HIS A 147 -3.990 10.209 -5.614 1.00 0.00 C ATOM 700 NE2 HIS A 147 -2.774 10.410 -6.088 1.00 0.00 N ATOM 0 H HIS A 147 -2.550 3.995 -7.084 1.00 0.00 H new ATOM 0 HA HIS A 147 -1.665 6.496 -6.028 1.00 0.00 H new ATOM 0 HB2 HIS A 147 -3.181 6.939 -8.193 1.00 0.00 H new ATOM 0 HB3 HIS A 147 -4.481 6.622 -7.062 1.00 0.00 H new ATOM 0 HD2 HIS A 147 -1.397 9.126 -7.213 1.00 0.00 H new ATOM 0 HE1 HIS A 147 -4.581 10.927 -5.064 1.00 0.00 H new ATOM 0 HE2 HIS A 147 -2.237 11.272 -5.995 1.00 0.00 H new ATOM 708 N ILE A 148 -3.642 6.285 -4.240 1.00 0.00 N ATOM 709 CA ILE A 148 -4.358 5.875 -3.038 1.00 0.00 C ATOM 710 C ILE A 148 -5.867 5.982 -3.233 1.00 0.00 C ATOM 711 O ILE A 148 -6.587 6.442 -2.348 1.00 0.00 O ATOM 712 CB ILE A 148 -3.948 6.725 -1.821 1.00 0.00 C ATOM 713 CG1 ILE A 148 -2.432 6.932 -1.804 1.00 0.00 C ATOM 714 CG2 ILE A 148 -4.412 6.064 -0.532 1.00 0.00 C ATOM 715 CD1 ILE A 148 -1.985 8.184 -2.525 1.00 0.00 C ATOM 0 H ILE A 148 -3.438 7.283 -4.290 1.00 0.00 H new ATOM 0 HA ILE A 148 -4.091 4.835 -2.851 1.00 0.00 H new ATOM 0 HB ILE A 148 -4.429 7.700 -1.899 1.00 0.00 H new ATOM 0 HG12 ILE A 148 -2.091 6.977 -0.770 1.00 0.00 H new ATOM 0 HG13 ILE A 148 -1.950 6.068 -2.261 1.00 0.00 H new ATOM 0 HG21 ILE A 148 -4.115 6.677 0.319 1.00 0.00 H new ATOM 0 HG22 ILE A 148 -5.497 5.963 -0.545 1.00 0.00 H new ATOM 0 HG23 ILE A 148 -3.957 5.077 -0.445 1.00 0.00 H new ATOM 0 HD11 ILE A 148 -0.899 8.266 -2.472 1.00 0.00 H new ATOM 0 HD12 ILE A 148 -2.295 8.133 -3.569 1.00 0.00 H new ATOM 0 HD13 ILE A 148 -2.438 9.056 -2.054 1.00 0.00 H new ATOM 727 N GLY A 149 -6.339 5.552 -4.399 1.00 0.00 N ATOM 728 CA GLY A 149 -7.760 5.606 -4.689 1.00 0.00 C ATOM 729 C GLY A 149 -8.056 5.448 -6.168 1.00 0.00 C ATOM 730 O GLY A 149 -7.862 4.374 -6.736 1.00 0.00 O ATOM 0 H GLY A 149 -5.763 5.167 -5.148 1.00 0.00 H new ATOM 0 HA2 GLY A 149 -8.271 4.820 -4.133 1.00 0.00 H new ATOM 0 HA3 GLY A 149 -8.163 6.557 -4.340 1.00 0.00 H new ATOM 734 N CYS A 150 -8.530 6.522 -6.792 1.00 0.00 N ATOM 735 CA CYS A 150 -8.857 6.498 -8.213 1.00 0.00 C ATOM 736 C CYS A 150 -8.792 7.902 -8.809 1.00 0.00 C ATOM 737 O CYS A 150 -9.810 8.557 -9.028 1.00 0.00 O ATOM 738 CB CYS A 150 -10.250 5.905 -8.427 1.00 0.00 C ATOM 739 SG CYS A 150 -10.769 5.838 -10.172 1.00 0.00 S ATOM 0 H CYS A 150 -8.696 7.419 -6.336 1.00 0.00 H new ATOM 0 HA CYS A 150 -8.122 5.872 -8.720 1.00 0.00 H new ATOM 0 HB2 CYS A 150 -10.271 4.897 -8.014 1.00 0.00 H new ATOM 0 HB3 CYS A 150 -10.975 6.495 -7.866 1.00 0.00 H new ATOM 917 N SER A 163 -11.535 7.061 -21.004 1.00 0.00 N ATOM 918 CA SER A 163 -11.619 5.723 -20.430 1.00 0.00 C ATOM 919 C SER A 163 -10.719 5.600 -19.204 1.00 0.00 C ATOM 920 O SER A 163 -9.516 5.850 -19.277 1.00 0.00 O ATOM 921 CB SER A 163 -11.227 4.673 -21.471 1.00 0.00 C ATOM 922 OG SER A 163 -12.184 4.607 -22.514 1.00 0.00 O ATOM 0 HA SER A 163 -12.650 5.551 -20.121 1.00 0.00 H new ATOM 0 HB2 SER A 163 -10.249 4.915 -21.886 1.00 0.00 H new ATOM 0 HB3 SER A 163 -11.138 3.698 -20.993 1.00 0.00 H new ATOM 0 HG SER A 163 -12.504 5.510 -22.722 1.00 0.00 H new ATOM 928 N ILE A 164 -11.312 5.214 -18.079 1.00 0.00 N ATOM 929 CA ILE A 164 -10.565 5.056 -16.838 1.00 0.00 C ATOM 930 C ILE A 164 -11.077 3.865 -16.035 1.00 0.00 C ATOM 931 O ILE A 164 -12.276 3.590 -16.011 1.00 0.00 O ATOM 932 CB ILE A 164 -10.649 6.323 -15.966 1.00 0.00 C ATOM 933 CG1 ILE A 164 -10.192 7.548 -16.761 1.00 0.00 C ATOM 934 CG2 ILE A 164 -9.808 6.158 -14.709 1.00 0.00 C ATOM 935 CD1 ILE A 164 -10.410 8.856 -16.035 1.00 0.00 C ATOM 0 H ILE A 164 -12.307 5.005 -18.002 1.00 0.00 H new ATOM 0 HA ILE A 164 -9.525 4.883 -17.115 1.00 0.00 H new ATOM 0 HB ILE A 164 -11.687 6.472 -15.669 1.00 0.00 H new ATOM 0 HG12 ILE A 164 -9.133 7.444 -16.995 1.00 0.00 H new ATOM 0 HG13 ILE A 164 -10.727 7.575 -17.710 1.00 0.00 H new ATOM 0 HG21 ILE A 164 -9.878 7.062 -14.103 1.00 0.00 H new ATOM 0 HG22 ILE A 164 -10.175 5.307 -14.135 1.00 0.00 H new ATOM 0 HG23 ILE A 164 -8.768 5.987 -14.987 1.00 0.00 H new ATOM 0 HD11 ILE A 164 -10.063 9.680 -16.658 1.00 0.00 H new ATOM 0 HD12 ILE A 164 -11.472 8.983 -15.824 1.00 0.00 H new ATOM 0 HD13 ILE A 164 -9.853 8.850 -15.098 1.00 0.00 H new ATOM 947 N ALA A 165 -10.160 3.164 -15.377 1.00 0.00 N ATOM 948 CA ALA A 165 -10.519 2.004 -14.570 1.00 0.00 C ATOM 949 C ALA A 165 -9.580 1.854 -13.378 1.00 0.00 C ATOM 950 O ALA A 165 -8.377 1.651 -13.544 1.00 0.00 O ATOM 951 CB ALA A 165 -10.502 0.743 -15.421 1.00 0.00 C ATOM 0 H ALA A 165 -9.163 3.379 -15.387 1.00 0.00 H new ATOM 0 HA ALA A 165 -11.528 2.156 -14.187 1.00 0.00 H new ATOM 0 HB1 ALA A 165 -10.772 -0.115 -14.805 1.00 0.00 H new ATOM 0 HB2 ALA A 165 -11.218 0.845 -16.236 1.00 0.00 H new ATOM 0 HB3 ALA A 165 -9.503 0.595 -15.832 1.00 0.00 H new ATOM 957 N CYS A 166 -10.137 1.955 -12.175 1.00 0.00 N ATOM 958 CA CYS A 166 -9.350 1.831 -10.955 1.00 0.00 C ATOM 959 C CYS A 166 -9.760 0.591 -10.166 1.00 0.00 C ATOM 960 O CYS A 166 -10.916 0.167 -10.211 1.00 0.00 O ATOM 961 CB CYS A 166 -9.517 3.079 -10.086 1.00 0.00 C ATOM 962 SG CYS A 166 -9.339 4.647 -10.996 1.00 0.00 S ATOM 0 H CYS A 166 -11.131 2.123 -12.020 1.00 0.00 H new ATOM 0 HA CYS A 166 -8.302 1.730 -11.238 1.00 0.00 H new ATOM 0 HB2 CYS A 166 -10.500 3.053 -9.617 1.00 0.00 H new ATOM 0 HB3 CYS A 166 -8.780 3.051 -9.283 1.00 0.00 H new ATOM 967 N CYS A 167 -8.806 0.012 -9.445 1.00 0.00 N ATOM 968 CA CYS A 167 -9.066 -1.179 -8.646 1.00 0.00 C ATOM 969 C CYS A 167 -8.030 -1.327 -7.536 1.00 0.00 C ATOM 970 O CYS A 167 -6.875 -0.934 -7.696 1.00 0.00 O ATOM 971 CB CYS A 167 -9.059 -2.425 -9.534 1.00 0.00 C ATOM 972 SG CYS A 167 -7.961 -2.300 -10.983 1.00 0.00 S ATOM 0 H CYS A 167 -7.844 0.349 -9.398 1.00 0.00 H new ATOM 0 HA CYS A 167 -10.050 -1.071 -8.189 1.00 0.00 H new ATOM 0 HB2 CYS A 167 -8.756 -3.283 -8.935 1.00 0.00 H new ATOM 0 HB3 CYS A 167 -10.075 -2.619 -9.877 1.00 0.00 H new ATOM 977 N GLN A 168 -8.453 -1.896 -6.412 1.00 0.00 N ATOM 978 CA GLN A 168 -7.562 -2.095 -5.275 1.00 0.00 C ATOM 979 C GLN A 168 -6.889 -3.462 -5.343 1.00 0.00 C ATOM 980 O GLN A 168 -6.819 -4.183 -4.347 1.00 0.00 O ATOM 981 CB GLN A 168 -8.336 -1.960 -3.963 1.00 0.00 C ATOM 982 CG GLN A 168 -9.426 -3.006 -3.789 1.00 0.00 C ATOM 983 CD GLN A 168 -10.467 -2.599 -2.765 1.00 0.00 C ATOM 984 OE1 GLN A 168 -10.343 -1.561 -2.115 1.00 0.00 O ATOM 985 NE2 GLN A 168 -11.502 -3.418 -2.615 1.00 0.00 N ATOM 0 H GLN A 168 -9.406 -2.227 -6.264 1.00 0.00 H new ATOM 0 HA GLN A 168 -6.789 -1.327 -5.313 1.00 0.00 H new ATOM 0 HB2 GLN A 168 -7.637 -2.033 -3.130 1.00 0.00 H new ATOM 0 HB3 GLN A 168 -8.785 -0.968 -3.916 1.00 0.00 H new ATOM 0 HG2 GLN A 168 -9.914 -3.180 -4.748 1.00 0.00 H new ATOM 0 HG3 GLN A 168 -8.973 -3.950 -3.486 1.00 0.00 H new ATOM 0 HE21 GLN A 168 -11.565 -4.268 -3.175 1.00 0.00 H new ATOM 0 HE22 GLN A 168 -12.234 -3.197 -1.940 1.00 0.00 H new ATOM 994 N THR A 169 -6.394 -3.815 -6.526 1.00 0.00 N ATOM 995 CA THR A 169 -5.728 -5.096 -6.725 1.00 0.00 C ATOM 996 C THR A 169 -4.394 -4.916 -7.441 1.00 0.00 C ATOM 997 O THR A 169 -4.277 -4.109 -8.363 1.00 0.00 O ATOM 998 CB THR A 169 -6.607 -6.065 -7.537 1.00 0.00 C ATOM 999 OG1 THR A 169 -7.517 -5.329 -8.362 1.00 0.00 O ATOM 1000 CG2 THR A 169 -7.387 -6.990 -6.615 1.00 0.00 C ATOM 0 H THR A 169 -6.442 -3.231 -7.361 1.00 0.00 H new ATOM 0 HA THR A 169 -5.552 -5.519 -5.736 1.00 0.00 H new ATOM 0 HB THR A 169 -5.955 -6.670 -8.167 1.00 0.00 H new ATOM 0 HG1 THR A 169 -8.071 -5.953 -8.876 1.00 0.00 H new ATOM 0 HG21 THR A 169 -8.001 -7.665 -7.211 1.00 0.00 H new ATOM 0 HG22 THR A 169 -6.692 -7.571 -6.009 1.00 0.00 H new ATOM 0 HG23 THR A 169 -8.028 -6.397 -5.963 1.00 0.00 H new ATOM 1008 N SER A 170 -3.391 -5.674 -7.011 1.00 0.00 N ATOM 1009 CA SER A 170 -2.063 -5.597 -7.609 1.00 0.00 C ATOM 1010 C SER A 170 -2.107 -5.993 -9.082 1.00 0.00 C ATOM 1011 O SER A 170 -2.742 -6.981 -9.452 1.00 0.00 O ATOM 1012 CB SER A 170 -1.087 -6.501 -6.855 1.00 0.00 C ATOM 1013 OG SER A 170 -1.493 -7.857 -6.921 1.00 0.00 O ATOM 0 H SER A 170 -3.472 -6.349 -6.250 1.00 0.00 H new ATOM 0 HA SER A 170 -1.719 -4.565 -7.538 1.00 0.00 H new ATOM 0 HB2 SER A 170 -0.088 -6.396 -7.278 1.00 0.00 H new ATOM 0 HB3 SER A 170 -1.026 -6.187 -5.813 1.00 0.00 H new ATOM 0 HG SER A 170 -0.852 -8.415 -6.433 1.00 0.00 H new ATOM 1019 N LEU A 171 -1.428 -5.215 -9.918 1.00 0.00 N ATOM 1020 CA LEU A 171 -1.388 -5.483 -11.351 1.00 0.00 C ATOM 1021 C LEU A 171 -2.793 -5.699 -11.904 1.00 0.00 C ATOM 1022 O LEU A 171 -2.997 -6.503 -12.814 1.00 0.00 O ATOM 1023 CB LEU A 171 -0.521 -6.711 -11.636 1.00 0.00 C ATOM 1024 CG LEU A 171 0.959 -6.586 -11.274 1.00 0.00 C ATOM 1025 CD1 LEU A 171 1.620 -7.955 -11.249 1.00 0.00 C ATOM 1026 CD2 LEU A 171 1.672 -5.666 -12.255 1.00 0.00 C ATOM 0 H LEU A 171 -0.898 -4.393 -9.628 1.00 0.00 H new ATOM 0 HA LEU A 171 -0.952 -4.615 -11.846 1.00 0.00 H new ATOM 0 HB2 LEU A 171 -0.937 -7.559 -11.092 1.00 0.00 H new ATOM 0 HB3 LEU A 171 -0.596 -6.946 -12.698 1.00 0.00 H new ATOM 0 HG LEU A 171 1.034 -6.151 -10.278 1.00 0.00 H new ATOM 0 HD11 LEU A 171 2.673 -7.846 -10.990 1.00 0.00 H new ATOM 0 HD12 LEU A 171 1.127 -8.584 -10.508 1.00 0.00 H new ATOM 0 HD13 LEU A 171 1.535 -8.418 -12.232 1.00 0.00 H new ATOM 0 HD21 LEU A 171 2.724 -5.589 -11.982 1.00 0.00 H new ATOM 0 HD22 LEU A 171 1.587 -6.073 -13.263 1.00 0.00 H new ATOM 0 HD23 LEU A 171 1.215 -4.677 -12.224 1.00 0.00 H new ATOM 1038 N CYS A 172 -3.760 -4.975 -11.350 1.00 0.00 N ATOM 1039 CA CYS A 172 -5.146 -5.085 -11.788 1.00 0.00 C ATOM 1040 C CYS A 172 -5.381 -4.272 -13.058 1.00 0.00 C ATOM 1041 O CYS A 172 -6.512 -3.900 -13.368 1.00 0.00 O ATOM 1042 CB CYS A 172 -6.091 -4.610 -10.683 1.00 0.00 C ATOM 1043 SG CYS A 172 -6.139 -2.801 -10.472 1.00 0.00 S ATOM 0 H CYS A 172 -3.609 -4.305 -10.596 1.00 0.00 H new ATOM 0 HA CYS A 172 -5.350 -6.133 -12.006 1.00 0.00 H new ATOM 0 HB2 CYS A 172 -7.097 -4.966 -10.902 1.00 0.00 H new ATOM 0 HB3 CYS A 172 -5.790 -5.067 -9.741 1.00 0.00 H new ATOM 1048 N ASN A 173 -4.304 -4.002 -13.788 1.00 0.00 N ATOM 1049 CA ASN A 173 -4.393 -3.233 -15.024 1.00 0.00 C ATOM 1050 C ASN A 173 -4.425 -4.156 -16.238 1.00 0.00 C ATOM 1051 O ASN A 173 -4.450 -3.697 -17.381 1.00 0.00 O ATOM 1052 CB ASN A 173 -3.211 -2.268 -15.135 1.00 0.00 C ATOM 1053 CG ASN A 173 -2.998 -1.466 -13.865 1.00 0.00 C ATOM 1054 OD1 ASN A 173 -3.851 -1.452 -12.977 1.00 0.00 O ATOM 1055 ND2 ASN A 173 -1.857 -0.793 -13.774 1.00 0.00 N ATOM 0 H ASN A 173 -3.360 -4.304 -13.546 1.00 0.00 H new ATOM 0 HA ASN A 173 -5.320 -2.661 -15.000 1.00 0.00 H new ATOM 0 HB2 ASN A 173 -2.306 -2.831 -15.362 1.00 0.00 H new ATOM 0 HB3 ASN A 173 -3.379 -1.586 -15.968 1.00 0.00 H new ATOM 0 HD21 ASN A 173 -1.659 -0.235 -12.943 1.00 0.00 H new ATOM 0 HD22 ASN A 173 -1.179 -0.834 -14.535 1.00 0.00 H new ATOM 1062 N HIS A 174 -4.423 -5.461 -15.983 1.00 0.00 N ATOM 1063 CA HIS A 174 -4.453 -6.450 -17.055 1.00 0.00 C ATOM 1064 C HIS A 174 -5.730 -6.319 -17.879 1.00 0.00 C ATOM 1065 O HIS A 174 -6.557 -5.443 -17.626 1.00 0.00 O ATOM 1066 CB HIS A 174 -4.347 -7.862 -16.477 1.00 0.00 C ATOM 1067 CG HIS A 174 -2.938 -8.352 -16.349 1.00 0.00 C ATOM 1068 ND1 HIS A 174 -2.140 -8.642 -17.435 1.00 0.00 N ATOM 1069 CD2 HIS A 174 -2.184 -8.602 -15.253 1.00 0.00 C ATOM 1070 CE1 HIS A 174 -0.957 -9.051 -17.013 1.00 0.00 C ATOM 1071 NE2 HIS A 174 -0.958 -9.035 -15.692 1.00 0.00 N ATOM 0 H HIS A 174 -4.401 -5.858 -15.044 1.00 0.00 H new ATOM 0 HA HIS A 174 -3.600 -6.268 -17.709 1.00 0.00 H new ATOM 0 HB2 HIS A 174 -4.820 -7.880 -15.495 1.00 0.00 H new ATOM 0 HB3 HIS A 174 -4.906 -8.549 -17.113 1.00 0.00 H new ATOM 0 HD2 HIS A 174 -2.490 -8.483 -14.224 1.00 0.00 H new ATOM 0 HE1 HIS A 174 -0.130 -9.348 -17.641 1.00 0.00 H new ATOM 0 HE2 HIS A 174 -0.175 -9.301 -15.095 1.00 0.00 H new ATOM 1079 N ASP A 175 -5.883 -7.194 -18.867 1.00 0.00 N ATOM 1080 CA ASP A 175 -7.059 -7.177 -19.729 1.00 0.00 C ATOM 1081 C ASP A 175 -8.319 -7.506 -18.935 1.00 0.00 C ATOM 1082 O ASP A 175 -8.255 -7.786 -17.737 1.00 0.00 O ATOM 1083 CB ASP A 175 -6.891 -8.172 -20.878 1.00 0.00 C ATOM 1084 CG ASP A 175 -6.649 -9.586 -20.388 1.00 0.00 C ATOM 1085 OD1 ASP A 175 -5.620 -9.815 -19.720 1.00 0.00 O ATOM 1086 OD2 ASP A 175 -7.489 -10.465 -20.674 1.00 0.00 O ATOM 0 H ASP A 175 -5.207 -7.924 -19.091 1.00 0.00 H new ATOM 0 HA ASP A 175 -7.162 -6.173 -20.141 1.00 0.00 H new ATOM 0 HB2 ASP A 175 -7.784 -8.155 -21.503 1.00 0.00 H new ATOM 0 HB3 ASP A 175 -6.056 -7.860 -21.506 1.00 0.00 H new