USER MOD reduce.3.24.130724 H: found=0, std=0, add=485, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 485 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 24 TYR OH : rot 165:sc= 0 USER MOD Set 1.2: A 26 ASN : amide:sc= -1.28 X(o=-1.3,f=-1) USER MOD Set 1.3: A 28 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.0146) USER MOD Set 2.1: A 10 HIS : no HD1:sc= 0.262 K(o=0.52,f=-1.7) USER MOD Set 2.2: A 27 GLN : amide:sc= 0.259 K(o=0.52,f=2) USER MOD Set 3.1: A 12 ASN : amide:sc= -0.579 K(o=-0.48,f=0.16) USER MOD Set 3.2: A 44 SER OG : rot -140:sc= 0.0973 USER MOD Single : A 5 LYS NZ :NH3+ -130:sc= -0.0081 (180deg=-0.8) USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 GLN : amide:sc= -0.0747 K(o=-0.075,f=-1.6!) USER MOD Single : A 19 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0636) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ -167:sc= 0.425 (180deg=0.28) USER MOD Single : A 30 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0492) USER MOD Single : A 31 GLN : amide:sc= -0.0322 X(o=-0.032,f=0) USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot -63:sc= 0.00793 USER MOD Single : A 43 ASN : amide:sc= -0.399 K(o=-0.4,f=-1.3) USER MOD Single : A 45 ASN : amide:sc= -0.776 K(o=-0.78,f=-2.5) USER MOD Single : A 48 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0265) USER MOD Single : A 49 THR OG1 : rot 180:sc= -0.276 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ 146:sc=-0.00647 (180deg=-0.15) USER MOD ----------------------------------------------------------------- ATOM 34 N LEU A 3 -13.649 -5.531 -3.645 1.00 0.00 N ATOM 35 CA LEU A 3 -13.024 -5.755 -2.340 1.00 0.00 C ATOM 36 C LEU A 3 -12.153 -7.029 -2.373 1.00 0.00 C ATOM 37 O LEU A 3 -12.568 -8.025 -2.969 1.00 0.00 O ATOM 38 CB LEU A 3 -14.119 -5.970 -1.273 1.00 0.00 C ATOM 39 CG LEU A 3 -15.024 -4.755 -0.993 1.00 0.00 C ATOM 40 CD1 LEU A 3 -16.206 -5.194 -0.114 1.00 0.00 C ATOM 41 CD2 LEU A 3 -14.247 -3.637 -0.284 1.00 0.00 C ATOM 0 HA LEU A 3 -12.411 -4.885 -2.103 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -14.747 -6.804 -1.586 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -13.639 -6.265 -0.340 1.00 0.00 H new ATOM 0 HG LEU A 3 -15.387 -4.368 -1.945 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -16.849 -4.337 0.086 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -16.778 -5.964 -0.632 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -15.830 -5.594 0.828 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -14.911 -2.793 -0.099 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -13.860 -4.008 0.665 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -13.417 -3.315 -0.913 1.00 0.00 H new ATOM 53 N ARG A 4 -10.967 -7.018 -1.736 1.00 0.00 N ATOM 54 CA ARG A 4 -10.086 -8.190 -1.676 1.00 0.00 C ATOM 55 C ARG A 4 -9.239 -8.222 -0.399 1.00 0.00 C ATOM 56 O ARG A 4 -8.917 -7.185 0.184 1.00 0.00 O ATOM 57 CB ARG A 4 -9.235 -8.325 -2.950 1.00 0.00 C ATOM 58 CG ARG A 4 -8.038 -7.367 -3.030 1.00 0.00 C ATOM 59 CD ARG A 4 -7.181 -7.650 -4.274 1.00 0.00 C ATOM 60 NE ARG A 4 -6.587 -8.995 -4.246 1.00 0.00 N ATOM 61 CZ ARG A 4 -5.727 -9.490 -5.155 1.00 0.00 C ATOM 62 NH1 ARG A 4 -5.338 -8.763 -6.215 1.00 0.00 N ATOM 63 NH2 ARG A 4 -5.246 -10.731 -4.997 1.00 0.00 N ATOM 0 H ARG A 4 -10.598 -6.199 -1.252 1.00 0.00 H new ATOM 0 HA ARG A 4 -10.730 -9.068 -1.630 1.00 0.00 H new ATOM 0 HB2 ARG A 4 -8.868 -9.349 -3.018 1.00 0.00 H new ATOM 0 HB3 ARG A 4 -9.875 -8.158 -3.817 1.00 0.00 H new ATOM 0 HG2 ARG A 4 -8.394 -6.337 -3.057 1.00 0.00 H new ATOM 0 HG3 ARG A 4 -7.427 -7.469 -2.133 1.00 0.00 H new ATOM 0 HD2 ARG A 4 -7.796 -7.545 -5.168 1.00 0.00 H new ATOM 0 HD3 ARG A 4 -6.388 -6.906 -4.343 1.00 0.00 H new ATOM 0 HE ARG A 4 -6.849 -9.605 -3.471 1.00 0.00 H new ATOM 0 HH11 ARG A 4 -5.695 -7.816 -6.343 1.00 0.00 H new ATOM 0 HH12 ARG A 4 -4.685 -9.158 -6.892 1.00 0.00 H new ATOM 0 HH21 ARG A 4 -5.532 -11.291 -4.194 1.00 0.00 H new ATOM 0 HH22 ARG A 4 -4.594 -11.116 -5.680 1.00 0.00 H new ATOM 77 N LYS A 5 -8.876 -9.449 0.011 1.00 0.00 N ATOM 78 CA LYS A 5 -8.086 -9.749 1.202 1.00 0.00 C ATOM 79 C LYS A 5 -6.622 -9.325 1.084 1.00 0.00 C ATOM 80 O LYS A 5 -5.941 -9.209 2.103 1.00 0.00 O ATOM 81 CB LYS A 5 -8.249 -11.244 1.544 1.00 0.00 C ATOM 82 CG LYS A 5 -7.748 -11.621 2.949 1.00 0.00 C ATOM 83 CD LYS A 5 -7.842 -13.124 3.264 1.00 0.00 C ATOM 84 CE LYS A 5 -9.270 -13.698 3.251 1.00 0.00 C ATOM 85 NZ LYS A 5 -9.699 -14.136 1.909 1.00 0.00 N ATOM 0 H LYS A 5 -9.139 -10.289 -0.504 1.00 0.00 H new ATOM 0 HA LYS A 5 -8.469 -9.150 2.028 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -9.302 -11.513 1.460 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -7.709 -11.836 0.805 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -6.710 -11.303 3.051 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -8.325 -11.068 3.690 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -7.239 -13.671 2.539 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -7.402 -13.304 4.245 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -9.323 -14.543 3.938 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -9.964 -12.943 3.620 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -10.632 -13.730 1.693 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -9.008 -13.814 1.201 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -9.760 -15.174 1.886 1.00 0.00 H new ATOM 99 N LEU A 6 -6.132 -9.069 -0.135 1.00 0.00 N ATOM 100 CA LEU A 6 -4.761 -8.604 -0.336 1.00 0.00 C ATOM 101 C LEU A 6 -4.548 -7.246 0.333 1.00 0.00 C ATOM 102 O LEU A 6 -3.419 -6.905 0.687 1.00 0.00 O ATOM 103 CB LEU A 6 -4.411 -8.495 -1.832 1.00 0.00 C ATOM 104 CG LEU A 6 -2.913 -8.265 -2.100 1.00 0.00 C ATOM 105 CD1 LEU A 6 -2.089 -9.413 -1.517 1.00 0.00 C ATOM 106 CD2 LEU A 6 -2.605 -8.179 -3.596 1.00 0.00 C ATOM 0 H LEU A 6 -6.668 -9.177 -0.996 1.00 0.00 H new ATOM 0 HA LEU A 6 -4.102 -9.343 0.121 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -4.726 -9.408 -2.338 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -4.980 -7.675 -2.271 1.00 0.00 H new ATOM 0 HG LEU A 6 -2.652 -7.319 -1.626 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -1.031 -9.238 -1.713 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -2.254 -9.469 -0.441 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -2.394 -10.351 -1.980 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -1.537 -8.016 -3.739 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -2.898 -9.109 -4.082 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -3.160 -7.350 -4.035 1.00 0.00 H new ATOM 118 N CYS A 7 -5.642 -6.495 0.532 1.00 0.00 N ATOM 119 CA CYS A 7 -5.583 -5.171 1.140 1.00 0.00 C ATOM 120 C CYS A 7 -5.743 -5.212 2.676 1.00 0.00 C ATOM 121 O CYS A 7 -6.221 -4.253 3.280 1.00 0.00 O ATOM 122 CB CYS A 7 -6.577 -4.242 0.427 1.00 0.00 C ATOM 123 SG CYS A 7 -6.140 -2.511 0.705 1.00 0.00 S ATOM 0 H CYS A 7 -6.583 -6.792 0.275 1.00 0.00 H new ATOM 0 HA CYS A 7 -4.586 -4.755 0.997 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -6.580 -4.455 -0.642 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -7.586 -4.431 0.792 1.00 0.00 H new ATOM 128 N ILE A 8 -5.319 -6.317 3.306 1.00 0.00 N ATOM 129 CA ILE A 8 -5.320 -6.570 4.750 1.00 0.00 C ATOM 130 C ILE A 8 -3.855 -6.719 5.214 1.00 0.00 C ATOM 131 O ILE A 8 -3.536 -6.385 6.355 1.00 0.00 O ATOM 132 CB ILE A 8 -6.164 -7.824 5.077 1.00 0.00 C ATOM 133 CG1 ILE A 8 -7.614 -7.703 4.552 1.00 0.00 C ATOM 134 CG2 ILE A 8 -6.178 -8.096 6.593 1.00 0.00 C ATOM 135 CD1 ILE A 8 -8.445 -6.575 5.180 1.00 0.00 C ATOM 0 H ILE A 8 -4.942 -7.108 2.784 1.00 0.00 H new ATOM 0 HA ILE A 8 -5.777 -5.738 5.286 1.00 0.00 H new ATOM 0 HB ILE A 8 -5.692 -8.663 4.566 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -7.581 -7.551 3.473 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -8.126 -8.649 4.725 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -6.778 -8.983 6.798 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -5.159 -8.259 6.943 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -6.607 -7.239 7.112 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -9.445 -6.574 4.745 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -8.517 -6.732 6.256 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -7.964 -5.617 4.985 1.00 0.00 H new ATOM 147 N LEU A 9 -2.972 -7.211 4.326 1.00 0.00 N ATOM 148 CA LEU A 9 -1.536 -7.424 4.517 1.00 0.00 C ATOM 149 C LEU A 9 -0.800 -6.186 5.042 1.00 0.00 C ATOM 150 O LEU A 9 0.185 -6.310 5.769 1.00 0.00 O ATOM 151 CB LEU A 9 -0.908 -7.827 3.164 1.00 0.00 C ATOM 152 CG LEU A 9 -1.063 -9.301 2.736 1.00 0.00 C ATOM 153 CD1 LEU A 9 -0.037 -10.183 3.458 1.00 0.00 C ATOM 154 CD2 LEU A 9 -2.485 -9.857 2.908 1.00 0.00 C ATOM 0 H LEU A 9 -3.270 -7.488 3.391 1.00 0.00 H new ATOM 0 HA LEU A 9 -1.429 -8.207 5.268 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -1.345 -7.200 2.387 1.00 0.00 H new ATOM 0 HB3 LEU A 9 0.156 -7.594 3.201 1.00 0.00 H new ATOM 0 HG LEU A 9 -0.869 -9.324 1.664 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -0.162 -11.219 3.143 1.00 0.00 H new ATOM 0 HD12 LEU A 9 0.970 -9.847 3.210 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -0.189 -10.110 4.535 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -2.510 -10.898 2.585 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -2.775 -9.795 3.957 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -3.180 -9.273 2.304 1.00 0.00 H new ATOM 166 N HIS A 10 -1.281 -5.010 4.632 1.00 0.00 N ATOM 167 CA HIS A 10 -0.765 -3.678 4.945 1.00 0.00 C ATOM 168 C HIS A 10 0.554 -3.437 4.189 1.00 0.00 C ATOM 169 O HIS A 10 0.999 -4.278 3.405 1.00 0.00 O ATOM 170 CB HIS A 10 -0.671 -3.448 6.469 1.00 0.00 C ATOM 171 CG HIS A 10 -2.005 -3.568 7.171 1.00 0.00 C ATOM 172 ND1 HIS A 10 -2.141 -4.240 8.386 1.00 0.00 N ATOM 173 CD2 HIS A 10 -3.234 -3.089 6.792 1.00 0.00 C ATOM 174 CE1 HIS A 10 -3.440 -4.148 8.684 1.00 0.00 C ATOM 175 NE2 HIS A 10 -4.139 -3.472 7.759 1.00 0.00 N ATOM 0 H HIS A 10 -2.102 -4.962 4.028 1.00 0.00 H new ATOM 0 HA HIS A 10 -1.469 -2.924 4.594 1.00 0.00 H new ATOM 0 HB2 HIS A 10 0.024 -4.170 6.897 1.00 0.00 H new ATOM 0 HB3 HIS A 10 -0.257 -2.457 6.656 1.00 0.00 H new ATOM 0 HD2 HIS A 10 -3.452 -2.518 5.902 1.00 0.00 H new ATOM 0 HE1 HIS A 10 -3.881 -4.572 9.574 1.00 0.00 H new ATOM 0 HE2 HIS A 10 -5.141 -3.280 7.769 1.00 0.00 H new ATOM 183 N ARG A 11 1.163 -2.267 4.417 1.00 0.00 N ATOM 184 CA ARG A 11 2.391 -1.782 3.802 1.00 0.00 C ATOM 185 C ARG A 11 3.493 -2.845 3.611 1.00 0.00 C ATOM 186 O ARG A 11 3.631 -3.770 4.413 1.00 0.00 O ATOM 187 CB ARG A 11 2.865 -0.547 4.584 1.00 0.00 C ATOM 188 CG ARG A 11 3.870 -0.808 5.707 1.00 0.00 C ATOM 189 CD ARG A 11 3.254 -1.659 6.822 1.00 0.00 C ATOM 190 NE ARG A 11 2.284 -0.910 7.636 1.00 0.00 N ATOM 191 CZ ARG A 11 2.583 -0.118 8.681 1.00 0.00 C ATOM 192 NH1 ARG A 11 3.855 0.162 9.008 1.00 0.00 N ATOM 193 NH2 ARG A 11 1.592 0.401 9.418 1.00 0.00 N ATOM 0 H ARG A 11 0.780 -1.594 5.081 1.00 0.00 H new ATOM 0 HA ARG A 11 2.162 -1.504 2.773 1.00 0.00 H new ATOM 0 HB2 ARG A 11 3.312 0.155 3.880 1.00 0.00 H new ATOM 0 HB3 ARG A 11 1.991 -0.056 5.012 1.00 0.00 H new ATOM 0 HG2 ARG A 11 4.746 -1.315 5.303 1.00 0.00 H new ATOM 0 HG3 ARG A 11 4.212 0.141 6.119 1.00 0.00 H new ATOM 0 HD2 ARG A 11 2.761 -2.526 6.382 1.00 0.00 H new ATOM 0 HD3 ARG A 11 4.048 -2.037 7.466 1.00 0.00 H new ATOM 0 HE ARG A 11 1.299 -0.999 7.386 1.00 0.00 H new ATOM 0 HH11 ARG A 11 4.621 -0.229 8.459 1.00 0.00 H new ATOM 0 HH12 ARG A 11 4.056 0.766 9.805 1.00 0.00 H new ATOM 0 HH21 ARG A 11 0.621 0.194 9.185 1.00 0.00 H new ATOM 0 HH22 ARG A 11 1.809 1.003 10.213 1.00 0.00 H new ATOM 207 N ASN A 12 4.277 -2.699 2.530 1.00 0.00 N ATOM 208 CA ASN A 12 5.364 -3.598 2.146 1.00 0.00 C ATOM 209 C ASN A 12 6.549 -2.772 1.619 1.00 0.00 C ATOM 210 O ASN A 12 6.562 -2.435 0.436 1.00 0.00 O ATOM 211 CB ASN A 12 4.875 -4.622 1.094 1.00 0.00 C ATOM 212 CG ASN A 12 3.473 -5.180 1.365 1.00 0.00 C ATOM 213 OD1 ASN A 12 3.321 -6.145 2.110 1.00 0.00 O ATOM 214 ND2 ASN A 12 2.444 -4.574 0.765 1.00 0.00 N ATOM 0 H ASN A 12 4.162 -1.922 1.880 1.00 0.00 H new ATOM 0 HA ASN A 12 5.696 -4.161 3.018 1.00 0.00 H new ATOM 0 HB2 ASN A 12 4.882 -4.149 0.112 1.00 0.00 H new ATOM 0 HB3 ASN A 12 5.582 -5.451 1.054 1.00 0.00 H new ATOM 0 HD21 ASN A 12 1.494 -4.910 0.919 1.00 0.00 H new ATOM 0 HD22 ASN A 12 2.609 -3.775 0.153 1.00 0.00 H new ATOM 221 N PRO A 13 7.545 -2.422 2.459 1.00 0.00 N ATOM 222 CA PRO A 13 8.701 -1.638 2.045 1.00 0.00 C ATOM 223 C PRO A 13 9.622 -2.439 1.116 1.00 0.00 C ATOM 224 O PRO A 13 9.477 -2.399 -0.106 1.00 0.00 O ATOM 225 CB PRO A 13 9.360 -1.130 3.341 1.00 0.00 C ATOM 226 CG PRO A 13 8.915 -2.141 4.396 1.00 0.00 C ATOM 227 CD PRO A 13 7.521 -2.535 3.909 1.00 0.00 C ATOM 0 HA PRO A 13 8.425 -0.779 1.433 1.00 0.00 H new ATOM 0 HB2 PRO A 13 10.446 -1.097 3.251 1.00 0.00 H new ATOM 0 HB3 PRO A 13 9.030 -0.121 3.589 1.00 0.00 H new ATOM 0 HG2 PRO A 13 9.586 -2.999 4.444 1.00 0.00 H new ATOM 0 HG3 PRO A 13 8.887 -1.702 5.393 1.00 0.00 H new ATOM 0 HD2 PRO A 13 7.276 -3.552 4.215 1.00 0.00 H new ATOM 0 HD3 PRO A 13 6.761 -1.881 4.337 1.00 0.00 H new ATOM 235 N GLY A 14 10.570 -3.153 1.717 1.00 0.00 N ATOM 236 CA GLY A 14 11.568 -3.984 1.058 1.00 0.00 C ATOM 237 C GLY A 14 12.866 -4.010 1.870 1.00 0.00 C ATOM 238 O GLY A 14 13.348 -2.962 2.303 1.00 0.00 O ATOM 0 H GLY A 14 10.666 -3.167 2.732 1.00 0.00 H new ATOM 0 HA2 GLY A 14 11.185 -4.998 0.941 1.00 0.00 H new ATOM 0 HA3 GLY A 14 11.766 -3.600 0.057 1.00 0.00 H new ATOM 242 N ARG A 15 13.434 -5.212 2.057 1.00 0.00 N ATOM 243 CA ARG A 15 14.674 -5.447 2.799 1.00 0.00 C ATOM 244 C ARG A 15 15.874 -5.271 1.853 1.00 0.00 C ATOM 245 O ARG A 15 16.613 -6.215 1.576 1.00 0.00 O ATOM 246 CB ARG A 15 14.626 -6.832 3.483 1.00 0.00 C ATOM 247 CG ARG A 15 14.265 -8.014 2.559 1.00 0.00 C ATOM 248 CD ARG A 15 14.392 -9.361 3.285 1.00 0.00 C ATOM 249 NE ARG A 15 15.787 -9.660 3.643 1.00 0.00 N ATOM 250 CZ ARG A 15 16.205 -10.731 4.343 1.00 0.00 C ATOM 251 NH1 ARG A 15 15.338 -11.656 4.786 1.00 0.00 N ATOM 252 NH2 ARG A 15 17.512 -10.876 4.604 1.00 0.00 N ATOM 0 H ARG A 15 13.028 -6.070 1.683 1.00 0.00 H new ATOM 0 HA ARG A 15 14.789 -4.715 3.599 1.00 0.00 H new ATOM 0 HB2 ARG A 15 15.598 -7.029 3.934 1.00 0.00 H new ATOM 0 HB3 ARG A 15 13.900 -6.793 4.295 1.00 0.00 H new ATOM 0 HG2 ARG A 15 13.245 -7.892 2.194 1.00 0.00 H new ATOM 0 HG3 ARG A 15 14.919 -8.007 1.687 1.00 0.00 H new ATOM 0 HD2 ARG A 15 13.780 -9.347 4.187 1.00 0.00 H new ATOM 0 HD3 ARG A 15 14.002 -10.155 2.648 1.00 0.00 H new ATOM 0 HE ARG A 15 16.499 -8.998 3.334 1.00 0.00 H new ATOM 0 HH11 ARG A 15 14.341 -11.554 4.594 1.00 0.00 H new ATOM 0 HH12 ARG A 15 15.676 -12.460 5.315 1.00 0.00 H new ATOM 0 HH21 ARG A 15 18.179 -10.179 4.273 1.00 0.00 H new ATOM 0 HH22 ARG A 15 17.840 -11.684 5.134 1.00 0.00 H new ATOM 266 N CYS A 16 16.067 -4.032 1.375 1.00 0.00 N ATOM 267 CA CYS A 16 17.128 -3.635 0.447 1.00 0.00 C ATOM 268 C CYS A 16 17.642 -2.203 0.696 1.00 0.00 C ATOM 269 O CYS A 16 18.658 -1.815 0.121 1.00 0.00 O ATOM 270 CB CYS A 16 16.569 -3.802 -0.974 1.00 0.00 C ATOM 271 SG CYS A 16 17.681 -3.492 -2.374 1.00 0.00 S ATOM 0 H CYS A 16 15.463 -3.252 1.636 1.00 0.00 H new ATOM 0 HA CYS A 16 18.001 -4.270 0.597 1.00 0.00 H new ATOM 0 HB2 CYS A 16 16.193 -4.821 -1.066 1.00 0.00 H new ATOM 0 HB3 CYS A 16 15.712 -3.136 -1.075 1.00 0.00 H new ATOM 276 N TYR A 17 16.957 -1.428 1.550 1.00 0.00 N ATOM 277 CA TYR A 17 17.284 -0.057 1.943 1.00 0.00 C ATOM 278 C TYR A 17 17.158 0.919 0.760 1.00 0.00 C ATOM 279 O TYR A 17 18.125 1.168 0.040 1.00 0.00 O ATOM 280 CB TYR A 17 18.668 0.003 2.632 1.00 0.00 C ATOM 281 CG TYR A 17 18.956 -1.145 3.593 1.00 0.00 C ATOM 282 CD1 TYR A 17 18.232 -1.242 4.803 1.00 0.00 C ATOM 283 CD2 TYR A 17 19.911 -2.137 3.269 1.00 0.00 C ATOM 284 CE1 TYR A 17 18.434 -2.341 5.665 1.00 0.00 C ATOM 285 CE2 TYR A 17 20.111 -3.237 4.130 1.00 0.00 C ATOM 286 CZ TYR A 17 19.368 -3.343 5.326 1.00 0.00 C ATOM 287 OH TYR A 17 19.551 -4.412 6.156 1.00 0.00 O ATOM 0 H TYR A 17 16.111 -1.765 2.009 1.00 0.00 H new ATOM 0 HA TYR A 17 16.551 0.271 2.680 1.00 0.00 H new ATOM 0 HB2 TYR A 17 19.440 0.016 1.863 1.00 0.00 H new ATOM 0 HB3 TYR A 17 18.746 0.943 3.178 1.00 0.00 H new ATOM 0 HD1 TYR A 17 17.522 -0.473 5.069 1.00 0.00 H new ATOM 0 HD2 TYR A 17 20.489 -2.052 2.360 1.00 0.00 H new ATOM 0 HE1 TYR A 17 17.873 -2.415 6.585 1.00 0.00 H new ATOM 0 HE2 TYR A 17 20.833 -3.998 3.874 1.00 0.00 H new ATOM 0 HH TYR A 17 20.228 -5.009 5.775 1.00 0.00 H new ATOM 297 N GLN A 18 15.949 1.469 0.574 1.00 0.00 N ATOM 298 CA GLN A 18 15.588 2.435 -0.467 1.00 0.00 C ATOM 299 C GLN A 18 14.414 3.294 0.042 1.00 0.00 C ATOM 300 O GLN A 18 13.965 3.140 1.181 1.00 0.00 O ATOM 301 CB GLN A 18 15.360 1.684 -1.798 1.00 0.00 C ATOM 302 CG GLN A 18 15.289 2.613 -3.029 1.00 0.00 C ATOM 303 CD GLN A 18 15.621 1.929 -4.360 1.00 0.00 C ATOM 304 OE1 GLN A 18 16.219 0.855 -4.396 1.00 0.00 O ATOM 305 NE2 GLN A 18 15.242 2.563 -5.473 1.00 0.00 N ATOM 0 H GLN A 18 15.159 1.239 1.177 1.00 0.00 H new ATOM 0 HA GLN A 18 16.387 3.144 -0.683 1.00 0.00 H new ATOM 0 HB2 GLN A 18 16.166 0.965 -1.942 1.00 0.00 H new ATOM 0 HB3 GLN A 18 14.433 1.114 -1.730 1.00 0.00 H new ATOM 0 HG2 GLN A 18 14.286 3.036 -3.092 1.00 0.00 H new ATOM 0 HG3 GLN A 18 15.977 3.445 -2.881 1.00 0.00 H new ATOM 0 HE21 GLN A 18 14.747 3.453 -5.410 1.00 0.00 H new ATOM 0 HE22 GLN A 18 15.447 2.157 -6.386 1.00 0.00 H new ATOM 314 N LYS A 19 13.933 4.235 -0.779 1.00 0.00 N ATOM 315 CA LYS A 19 12.884 5.157 -0.500 1.00 0.00 C ATOM 316 C LYS A 19 12.265 5.504 -1.870 1.00 0.00 C ATOM 317 O LYS A 19 12.938 5.804 -2.857 1.00 0.00 O ATOM 318 CB LYS A 19 13.465 6.444 0.093 1.00 0.00 C ATOM 319 CG LYS A 19 12.473 7.281 0.906 1.00 0.00 C ATOM 320 CD LYS A 19 12.586 6.802 2.357 1.00 0.00 C ATOM 321 CE LYS A 19 11.763 7.655 3.335 1.00 0.00 C ATOM 322 NZ LYS A 19 12.262 9.038 3.431 1.00 0.00 N ATOM 0 H LYS A 19 14.311 4.361 -1.718 1.00 0.00 H new ATOM 0 HA LYS A 19 12.164 4.736 0.202 1.00 0.00 H new ATOM 0 HB2 LYS A 19 14.309 6.184 0.732 1.00 0.00 H new ATOM 0 HB3 LYS A 19 13.857 7.057 -0.719 1.00 0.00 H new ATOM 0 HG2 LYS A 19 12.707 8.343 0.829 1.00 0.00 H new ATOM 0 HG3 LYS A 19 11.457 7.150 0.532 1.00 0.00 H new ATOM 0 HD2 LYS A 19 12.254 5.766 2.419 1.00 0.00 H new ATOM 0 HD3 LYS A 19 13.633 6.820 2.660 1.00 0.00 H new ATOM 0 HE2 LYS A 19 10.722 7.669 3.013 1.00 0.00 H new ATOM 0 HE3 LYS A 19 11.785 7.194 4.323 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 11.765 9.534 4.198 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 13.282 9.026 3.631 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 12.092 9.532 2.532 1.00 0.00 H new ATOM 336 N ILE A 20 10.958 5.463 -1.833 1.00 0.00 N ATOM 337 CA ILE A 20 9.933 5.761 -2.831 1.00 0.00 C ATOM 338 C ILE A 20 8.628 5.938 -2.043 1.00 0.00 C ATOM 339 O ILE A 20 8.109 4.941 -1.550 1.00 0.00 O ATOM 340 CB ILE A 20 9.685 4.660 -3.905 1.00 0.00 C ATOM 341 CG1 ILE A 20 10.901 4.033 -4.612 1.00 0.00 C ATOM 342 CG2 ILE A 20 8.729 5.277 -4.947 1.00 0.00 C ATOM 343 CD1 ILE A 20 11.623 4.940 -5.611 1.00 0.00 C ATOM 0 H ILE A 20 10.507 5.174 -0.965 1.00 0.00 H new ATOM 0 HA ILE A 20 10.271 6.635 -3.388 1.00 0.00 H new ATOM 0 HB ILE A 20 9.283 3.805 -3.361 1.00 0.00 H new ATOM 0 HG12 ILE A 20 11.616 3.716 -3.853 1.00 0.00 H new ATOM 0 HG13 ILE A 20 10.572 3.135 -5.135 1.00 0.00 H new ATOM 0 HG21 ILE A 20 8.520 4.545 -5.727 1.00 0.00 H new ATOM 0 HG22 ILE A 20 7.797 5.565 -4.460 1.00 0.00 H new ATOM 0 HG23 ILE A 20 9.194 6.158 -5.391 1.00 0.00 H new ATOM 0 HD11 ILE A 20 12.462 4.401 -6.051 1.00 0.00 H new ATOM 0 HD12 ILE A 20 10.930 5.238 -6.398 1.00 0.00 H new ATOM 0 HD13 ILE A 20 11.991 5.828 -5.096 1.00 0.00 H new ATOM 355 N PRO A 21 8.053 7.142 -1.884 1.00 0.00 N ATOM 356 CA PRO A 21 6.800 7.255 -1.160 1.00 0.00 C ATOM 357 C PRO A 21 5.657 6.656 -1.999 1.00 0.00 C ATOM 358 O PRO A 21 5.582 6.840 -3.214 1.00 0.00 O ATOM 359 CB PRO A 21 6.577 8.723 -0.847 1.00 0.00 C ATOM 360 CG PRO A 21 7.827 9.448 -1.368 1.00 0.00 C ATOM 361 CD PRO A 21 8.541 8.447 -2.287 1.00 0.00 C ATOM 0 HA PRO A 21 6.829 6.696 -0.225 1.00 0.00 H new ATOM 0 HB2 PRO A 21 5.676 9.096 -1.334 1.00 0.00 H new ATOM 0 HB3 PRO A 21 6.449 8.881 0.224 1.00 0.00 H new ATOM 0 HG2 PRO A 21 7.556 10.353 -1.912 1.00 0.00 H new ATOM 0 HG3 PRO A 21 8.473 9.753 -0.545 1.00 0.00 H new ATOM 0 HD2 PRO A 21 8.315 8.645 -3.335 1.00 0.00 H new ATOM 0 HD3 PRO A 21 9.623 8.514 -2.176 1.00 0.00 H new ATOM 369 N ALA A 22 4.779 5.937 -1.303 1.00 0.00 N ATOM 370 CA ALA A 22 3.595 5.252 -1.831 1.00 0.00 C ATOM 371 C ALA A 22 2.448 5.341 -0.809 1.00 0.00 C ATOM 372 O ALA A 22 2.427 6.274 -0.008 1.00 0.00 O ATOM 373 CB ALA A 22 3.984 3.805 -2.175 1.00 0.00 C ATOM 0 H ALA A 22 4.878 5.808 -0.296 1.00 0.00 H new ATOM 0 HA ALA A 22 3.236 5.727 -2.744 1.00 0.00 H new ATOM 0 HB1 ALA A 22 3.115 3.279 -2.570 1.00 0.00 H new ATOM 0 HB2 ALA A 22 4.776 3.809 -2.923 1.00 0.00 H new ATOM 0 HB3 ALA A 22 4.337 3.300 -1.276 1.00 0.00 H new ATOM 379 N PHE A 23 1.478 4.407 -0.852 1.00 0.00 N ATOM 380 CA PHE A 23 0.329 4.342 0.057 1.00 0.00 C ATOM 381 C PHE A 23 -0.110 2.882 0.314 1.00 0.00 C ATOM 382 O PHE A 23 0.182 1.967 -0.455 1.00 0.00 O ATOM 383 CB PHE A 23 -0.901 5.055 -0.526 1.00 0.00 C ATOM 384 CG PHE A 23 -0.742 6.518 -0.896 1.00 0.00 C ATOM 385 CD1 PHE A 23 -0.082 6.875 -2.088 1.00 0.00 C ATOM 386 CD2 PHE A 23 -1.270 7.529 -0.063 1.00 0.00 C ATOM 387 CE1 PHE A 23 0.207 8.230 -2.357 1.00 0.00 C ATOM 388 CE2 PHE A 23 -0.996 8.886 -0.334 1.00 0.00 C ATOM 389 CZ PHE A 23 -0.238 9.235 -1.472 1.00 0.00 C ATOM 0 H PHE A 23 1.477 3.657 -1.543 1.00 0.00 H new ATOM 0 HA PHE A 23 0.661 4.823 0.977 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -1.215 4.513 -1.418 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -1.712 4.975 0.197 1.00 0.00 H new ATOM 0 HD1 PHE A 23 0.203 6.111 -2.797 1.00 0.00 H new ATOM 0 HD2 PHE A 23 -1.885 7.262 0.784 1.00 0.00 H new ATOM 0 HE1 PHE A 23 0.769 8.498 -3.240 1.00 0.00 H new ATOM 0 HE2 PHE A 23 -1.365 9.656 0.328 1.00 0.00 H new ATOM 0 HZ PHE A 23 0.001 10.270 -1.665 1.00 0.00 H new ATOM 399 N TYR A 24 -0.851 2.711 1.413 1.00 0.00 N ATOM 400 CA TYR A 24 -1.451 1.474 1.926 1.00 0.00 C ATOM 401 C TYR A 24 -2.790 1.806 2.605 1.00 0.00 C ATOM 402 O TYR A 24 -2.937 2.888 3.176 1.00 0.00 O ATOM 403 CB TYR A 24 -0.497 0.731 2.882 1.00 0.00 C ATOM 404 CG TYR A 24 -0.440 1.241 4.319 1.00 0.00 C ATOM 405 CD1 TYR A 24 -0.016 2.560 4.590 1.00 0.00 C ATOM 406 CD2 TYR A 24 -0.808 0.399 5.395 1.00 0.00 C ATOM 407 CE1 TYR A 24 0.158 2.996 5.920 1.00 0.00 C ATOM 408 CE2 TYR A 24 -0.663 0.841 6.727 1.00 0.00 C ATOM 409 CZ TYR A 24 -0.177 2.141 6.991 1.00 0.00 C ATOM 410 OH TYR A 24 -0.067 2.591 8.275 1.00 0.00 O ATOM 0 H TYR A 24 -1.065 3.503 2.019 1.00 0.00 H new ATOM 0 HA TYR A 24 -1.635 0.798 1.091 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -0.786 -0.320 2.904 1.00 0.00 H new ATOM 0 HB3 TYR A 24 0.509 0.776 2.464 1.00 0.00 H new ATOM 0 HD1 TYR A 24 0.176 3.240 3.773 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -1.202 -0.587 5.196 1.00 0.00 H new ATOM 0 HE1 TYR A 24 0.547 3.984 6.118 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -0.924 0.186 7.545 1.00 0.00 H new ATOM 0 HH TYR A 24 -0.552 1.988 8.876 1.00 0.00 H new ATOM 420 N TYR A 25 -3.734 0.850 2.627 1.00 0.00 N ATOM 421 CA TYR A 25 -5.071 1.069 3.196 1.00 0.00 C ATOM 422 C TYR A 25 -5.064 0.993 4.723 1.00 0.00 C ATOM 423 O TYR A 25 -4.812 -0.075 5.282 1.00 0.00 O ATOM 424 CB TYR A 25 -6.035 0.018 2.624 1.00 0.00 C ATOM 425 CG TYR A 25 -7.476 0.026 3.127 1.00 0.00 C ATOM 426 CD1 TYR A 25 -8.189 1.239 3.242 1.00 0.00 C ATOM 427 CD2 TYR A 25 -8.127 -1.191 3.444 1.00 0.00 C ATOM 428 CE1 TYR A 25 -9.524 1.236 3.694 1.00 0.00 C ATOM 429 CE2 TYR A 25 -9.481 -1.196 3.844 1.00 0.00 C ATOM 430 CZ TYR A 25 -10.170 0.023 4.004 1.00 0.00 C ATOM 431 OH TYR A 25 -11.466 0.032 4.436 1.00 0.00 O ATOM 0 H TYR A 25 -3.592 -0.089 2.254 1.00 0.00 H new ATOM 0 HA TYR A 25 -5.397 2.073 2.924 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -6.058 0.138 1.541 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -5.615 -0.967 2.826 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -7.710 2.172 2.983 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -7.584 -2.122 3.379 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -10.055 2.170 3.803 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -9.988 -2.132 4.027 1.00 0.00 H new ATOM 0 HH TYR A 25 -11.761 -0.887 4.605 1.00 0.00 H new ATOM 441 N ASN A 26 -5.354 2.129 5.390 1.00 0.00 N ATOM 442 CA ASN A 26 -5.407 2.185 6.846 1.00 0.00 C ATOM 443 C ASN A 26 -6.842 1.850 7.259 1.00 0.00 C ATOM 444 O ASN A 26 -7.767 2.585 6.916 1.00 0.00 O ATOM 445 CB ASN A 26 -4.980 3.581 7.331 1.00 0.00 C ATOM 446 CG ASN A 26 -3.457 3.722 7.323 1.00 0.00 C ATOM 447 OD1 ASN A 26 -2.807 3.247 6.395 1.00 0.00 O ATOM 448 ND2 ASN A 26 -2.882 4.368 8.340 1.00 0.00 N ATOM 0 H ASN A 26 -5.554 3.018 4.931 1.00 0.00 H new ATOM 0 HA ASN A 26 -4.721 1.470 7.301 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -5.423 4.344 6.690 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -5.359 3.752 8.339 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -1.869 4.481 8.365 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -3.456 4.749 9.092 1.00 0.00 H new ATOM 455 N GLN A 27 -7.022 0.741 7.993 1.00 0.00 N ATOM 456 CA GLN A 27 -8.315 0.257 8.477 1.00 0.00 C ATOM 457 C GLN A 27 -8.690 0.956 9.799 1.00 0.00 C ATOM 458 O GLN A 27 -9.091 0.313 10.768 1.00 0.00 O ATOM 459 CB GLN A 27 -8.252 -1.278 8.609 1.00 0.00 C ATOM 460 CG GLN A 27 -7.835 -1.942 7.283 1.00 0.00 C ATOM 461 CD GLN A 27 -7.995 -3.463 7.316 1.00 0.00 C ATOM 462 OE1 GLN A 27 -7.011 -4.197 7.388 1.00 0.00 O ATOM 463 NE2 GLN A 27 -9.240 -3.943 7.256 1.00 0.00 N ATOM 0 H GLN A 27 -6.245 0.141 8.272 1.00 0.00 H new ATOM 0 HA GLN A 27 -9.105 0.502 7.767 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -7.543 -1.548 9.391 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -9.226 -1.658 8.917 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -8.436 -1.534 6.471 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -6.796 -1.693 7.066 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -10.031 -3.302 7.197 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -9.399 -4.950 7.269 1.00 0.00 H new ATOM 472 N LYS A 28 -8.555 2.290 9.812 1.00 0.00 N ATOM 473 CA LYS A 28 -8.835 3.220 10.909 1.00 0.00 C ATOM 474 C LYS A 28 -9.457 4.469 10.278 1.00 0.00 C ATOM 475 O LYS A 28 -10.537 4.931 10.643 1.00 0.00 O ATOM 476 CB LYS A 28 -7.537 3.555 11.672 1.00 0.00 C ATOM 477 CG LYS A 28 -6.890 2.322 12.326 1.00 0.00 C ATOM 478 CD LYS A 28 -5.602 2.663 13.096 1.00 0.00 C ATOM 479 CE LYS A 28 -4.482 3.267 12.232 1.00 0.00 C ATOM 480 NZ LYS A 28 -4.132 2.417 11.079 1.00 0.00 N ATOM 0 H LYS A 28 -8.219 2.784 8.985 1.00 0.00 H new ATOM 0 HA LYS A 28 -9.520 2.785 11.637 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -6.825 4.011 10.984 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -7.755 4.295 12.442 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -7.604 1.861 13.008 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -6.663 1.585 11.556 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -5.846 3.364 13.894 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -5.228 1.757 13.572 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -4.794 4.248 11.874 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -3.596 3.420 12.848 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -3.339 2.845 10.560 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -3.856 1.472 11.415 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -4.954 2.333 10.447 1.00 0.00 H new ATOM 494 N LYS A 29 -8.706 4.971 9.301 1.00 0.00 N ATOM 495 CA LYS A 29 -8.925 6.094 8.404 1.00 0.00 C ATOM 496 C LYS A 29 -9.977 5.788 7.392 1.00 0.00 C ATOM 497 O LYS A 29 -10.839 6.609 7.069 1.00 0.00 O ATOM 498 CB LYS A 29 -7.609 6.331 7.684 1.00 0.00 C ATOM 499 CG LYS A 29 -7.725 7.486 6.699 1.00 0.00 C ATOM 500 CD LYS A 29 -6.340 7.797 6.150 1.00 0.00 C ATOM 501 CE LYS A 29 -6.391 9.029 5.247 1.00 0.00 C ATOM 502 NZ LYS A 29 -5.109 9.266 4.564 1.00 0.00 N ATOM 0 H LYS A 29 -7.807 4.536 9.096 1.00 0.00 H new ATOM 0 HA LYS A 29 -9.255 6.964 8.971 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -6.826 6.546 8.411 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -7.312 5.426 7.155 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -8.404 7.224 5.887 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -8.142 8.364 7.193 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -5.646 7.969 6.972 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -5.963 6.942 5.589 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -7.179 8.902 4.505 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -6.652 9.904 5.842 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -5.111 10.216 4.142 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -4.331 9.194 5.251 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -4.977 8.555 3.816 1.00 0.00 H new ATOM 516 N LYS A 30 -9.806 4.590 6.863 1.00 0.00 N ATOM 517 CA LYS A 30 -10.680 4.010 5.906 1.00 0.00 C ATOM 518 C LYS A 30 -10.529 4.749 4.566 1.00 0.00 C ATOM 519 O LYS A 30 -11.467 5.342 4.036 1.00 0.00 O ATOM 520 CB LYS A 30 -12.052 3.980 6.615 1.00 0.00 C ATOM 521 CG LYS A 30 -12.190 2.653 7.379 1.00 0.00 C ATOM 522 CD LYS A 30 -13.647 2.177 7.454 1.00 0.00 C ATOM 523 CE LYS A 30 -13.770 0.814 8.152 1.00 0.00 C ATOM 524 NZ LYS A 30 -13.332 0.862 9.559 1.00 0.00 N ATOM 0 H LYS A 30 -9.021 3.987 7.109 1.00 0.00 H new ATOM 0 HA LYS A 30 -10.474 2.985 5.598 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -12.139 4.821 7.302 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -12.855 4.080 5.885 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -11.585 1.890 6.890 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -11.797 2.774 8.388 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -14.243 2.915 7.991 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -14.058 2.107 6.447 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -14.806 0.478 8.108 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -13.173 0.078 7.613 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -13.528 -0.052 10.015 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -12.311 1.057 9.598 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -13.847 1.615 10.058 1.00 0.00 H new ATOM 538 N GLN A 31 -9.287 4.661 4.056 1.00 0.00 N ATOM 539 CA GLN A 31 -8.707 5.204 2.831 1.00 0.00 C ATOM 540 C GLN A 31 -7.200 4.851 2.844 1.00 0.00 C ATOM 541 O GLN A 31 -6.649 4.405 3.864 1.00 0.00 O ATOM 542 CB GLN A 31 -8.963 6.726 2.737 1.00 0.00 C ATOM 543 CG GLN A 31 -8.385 7.395 1.478 1.00 0.00 C ATOM 544 CD GLN A 31 -8.889 8.832 1.313 1.00 0.00 C ATOM 545 OE1 GLN A 31 -8.180 9.784 1.632 1.00 0.00 O ATOM 546 NE2 GLN A 31 -10.116 8.992 0.812 1.00 0.00 N ATOM 0 H GLN A 31 -8.579 4.135 4.569 1.00 0.00 H new ATOM 0 HA GLN A 31 -9.170 4.771 1.944 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -10.038 6.903 2.766 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -8.537 7.208 3.617 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -7.296 7.396 1.535 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -8.658 6.811 0.599 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -10.674 8.176 0.559 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -10.496 9.930 0.682 1.00 0.00 H new ATOM 555 N CYS A 32 -6.528 5.014 1.693 1.00 0.00 N ATOM 556 CA CYS A 32 -5.116 4.731 1.559 1.00 0.00 C ATOM 557 C CYS A 32 -4.319 5.910 2.085 1.00 0.00 C ATOM 558 O CYS A 32 -4.378 7.003 1.522 1.00 0.00 O ATOM 559 CB CYS A 32 -4.744 4.466 0.098 1.00 0.00 C ATOM 560 SG CYS A 32 -3.591 3.129 -0.301 1.00 0.00 S ATOM 0 H CYS A 32 -6.964 5.348 0.833 1.00 0.00 H new ATOM 0 HA CYS A 32 -4.883 3.836 2.136 1.00 0.00 H new ATOM 0 HB2 CYS A 32 -5.669 4.272 -0.444 1.00 0.00 H new ATOM 0 HB3 CYS A 32 -4.326 5.389 -0.305 1.00 0.00 H new ATOM 565 N GLU A 33 -3.624 5.691 3.200 1.00 0.00 N ATOM 566 CA GLU A 33 -2.730 6.675 3.770 1.00 0.00 C ATOM 567 C GLU A 33 -1.390 6.325 3.163 1.00 0.00 C ATOM 568 O GLU A 33 -1.136 5.216 2.703 1.00 0.00 O ATOM 569 CB GLU A 33 -2.693 6.585 5.286 1.00 0.00 C ATOM 570 CG GLU A 33 -1.617 7.316 6.079 1.00 0.00 C ATOM 571 CD GLU A 33 -1.671 8.836 5.903 1.00 0.00 C ATOM 572 OE1 GLU A 33 -2.658 9.432 6.389 1.00 0.00 O ATOM 573 OE2 GLU A 33 -0.727 9.377 5.286 1.00 0.00 O ATOM 0 H GLU A 33 -3.671 4.820 3.729 1.00 0.00 H new ATOM 0 HA GLU A 33 -3.038 7.698 3.557 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -3.657 6.937 5.653 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -2.620 5.528 5.544 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -1.726 7.074 7.136 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -0.637 6.955 5.769 1.00 0.00 H new ATOM 580 N GLY A 34 -0.511 7.299 3.207 1.00 0.00 N ATOM 581 CA GLY A 34 0.807 7.131 2.608 1.00 0.00 C ATOM 582 C GLY A 34 1.776 6.320 3.457 1.00 0.00 C ATOM 583 O GLY A 34 1.614 6.254 4.677 1.00 0.00 O ATOM 0 H GLY A 34 -0.674 8.207 3.643 1.00 0.00 H new ATOM 0 HA2 GLY A 34 0.695 6.645 1.639 1.00 0.00 H new ATOM 0 HA3 GLY A 34 1.238 8.115 2.423 1.00 0.00 H new ATOM 587 N PHE A 35 2.781 5.698 2.816 1.00 0.00 N ATOM 588 CA PHE A 35 3.756 4.912 3.565 1.00 0.00 C ATOM 589 C PHE A 35 5.090 5.032 2.790 1.00 0.00 C ATOM 590 O PHE A 35 5.123 5.489 1.643 1.00 0.00 O ATOM 591 CB PHE A 35 3.347 3.421 3.635 1.00 0.00 C ATOM 592 CG PHE A 35 3.718 2.471 2.508 1.00 0.00 C ATOM 593 CD1 PHE A 35 2.969 2.350 1.331 1.00 0.00 C ATOM 594 CD2 PHE A 35 4.853 1.650 2.692 1.00 0.00 C ATOM 595 CE1 PHE A 35 3.232 1.301 0.426 1.00 0.00 C ATOM 596 CE2 PHE A 35 5.120 0.594 1.798 1.00 0.00 C ATOM 597 CZ PHE A 35 4.283 0.395 0.681 1.00 0.00 C ATOM 0 H PHE A 35 2.932 5.726 1.808 1.00 0.00 H new ATOM 0 HA PHE A 35 3.830 5.279 4.589 1.00 0.00 H new ATOM 0 HB2 PHE A 35 3.769 3.013 4.553 1.00 0.00 H new ATOM 0 HB3 PHE A 35 2.263 3.388 3.741 1.00 0.00 H new ATOM 0 HD1 PHE A 35 2.187 3.063 1.116 1.00 0.00 H new ATOM 0 HD2 PHE A 35 5.519 1.833 3.522 1.00 0.00 H new ATOM 0 HE1 PHE A 35 2.628 1.191 -0.463 1.00 0.00 H new ATOM 0 HE2 PHE A 35 5.962 -0.060 1.968 1.00 0.00 H new ATOM 0 HZ PHE A 35 4.446 -0.447 0.024 1.00 0.00 H new ATOM 607 N THR A 36 6.194 4.582 3.396 1.00 0.00 N ATOM 608 CA THR A 36 7.525 4.600 2.790 1.00 0.00 C ATOM 609 C THR A 36 7.750 3.255 2.084 1.00 0.00 C ATOM 610 O THR A 36 7.900 2.238 2.763 1.00 0.00 O ATOM 611 CB THR A 36 8.576 4.845 3.890 1.00 0.00 C ATOM 612 OG1 THR A 36 8.406 6.146 4.423 1.00 0.00 O ATOM 613 CG2 THR A 36 9.995 4.718 3.328 1.00 0.00 C ATOM 0 H THR A 36 6.185 4.189 4.337 1.00 0.00 H new ATOM 0 HA THR A 36 7.614 5.401 2.056 1.00 0.00 H new ATOM 0 HB THR A 36 8.438 4.096 4.670 1.00 0.00 H new ATOM 0 HG1 THR A 36 9.073 6.302 5.124 1.00 0.00 H new ATOM 0 HG21 THR A 36 10.719 4.895 4.124 1.00 0.00 H new ATOM 0 HG22 THR A 36 10.138 3.716 2.924 1.00 0.00 H new ATOM 0 HG23 THR A 36 10.140 5.453 2.536 1.00 0.00 H new ATOM 621 N TRP A 37 7.789 3.241 0.739 1.00 0.00 N ATOM 622 CA TRP A 37 7.998 2.020 -0.043 1.00 0.00 C ATOM 623 C TRP A 37 9.454 1.989 -0.538 1.00 0.00 C ATOM 624 O TRP A 37 9.874 2.881 -1.268 1.00 0.00 O ATOM 625 CB TRP A 37 6.984 1.930 -1.212 1.00 0.00 C ATOM 626 CG TRP A 37 7.380 0.999 -2.321 1.00 0.00 C ATOM 627 CD1 TRP A 37 7.756 -0.288 -2.163 1.00 0.00 C ATOM 628 CD2 TRP A 37 7.517 1.272 -3.747 1.00 0.00 C ATOM 629 NE1 TRP A 37 8.353 -0.739 -3.321 1.00 0.00 N ATOM 630 CE2 TRP A 37 8.272 0.206 -4.325 1.00 0.00 C ATOM 631 CE3 TRP A 37 7.135 2.331 -4.608 1.00 0.00 C ATOM 632 CZ2 TRP A 37 8.752 0.266 -5.648 1.00 0.00 C ATOM 633 CZ3 TRP A 37 7.464 2.307 -5.981 1.00 0.00 C ATOM 634 CH2 TRP A 37 8.325 1.313 -6.487 1.00 0.00 C ATOM 0 H TRP A 37 7.676 4.079 0.169 1.00 0.00 H new ATOM 0 HA TRP A 37 7.825 1.146 0.585 1.00 0.00 H new ATOM 0 HB2 TRP A 37 6.021 1.610 -0.815 1.00 0.00 H new ATOM 0 HB3 TRP A 37 6.841 2.927 -1.628 1.00 0.00 H new ATOM 0 HD1 TRP A 37 7.611 -0.874 -1.267 1.00 0.00 H new ATOM 0 HE1 TRP A 37 8.797 -1.652 -3.423 1.00 0.00 H new ATOM 0 HE3 TRP A 37 6.584 3.169 -4.208 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 9.439 -0.482 -6.014 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 7.054 3.053 -6.646 1.00 0.00 H new ATOM 0 HH2 TRP A 37 8.656 1.354 -7.514 1.00 0.00 H new ATOM 645 N SER A 38 10.233 0.964 -0.159 1.00 0.00 N ATOM 646 CA SER A 38 11.620 0.821 -0.602 1.00 0.00 C ATOM 647 C SER A 38 11.584 0.341 -2.060 1.00 0.00 C ATOM 648 O SER A 38 11.018 -0.717 -2.333 1.00 0.00 O ATOM 649 CB SER A 38 12.382 -0.171 0.291 1.00 0.00 C ATOM 650 OG SER A 38 12.405 0.268 1.633 1.00 0.00 O ATOM 0 H SER A 38 9.917 0.217 0.460 1.00 0.00 H new ATOM 0 HA SER A 38 12.146 1.773 -0.529 1.00 0.00 H new ATOM 0 HB2 SER A 38 11.911 -1.152 0.234 1.00 0.00 H new ATOM 0 HB3 SER A 38 13.402 -0.285 -0.075 1.00 0.00 H new ATOM 0 HG SER A 38 12.893 1.116 1.692 1.00 0.00 H new ATOM 656 N GLY A 39 12.180 1.115 -2.984 1.00 0.00 N ATOM 657 CA GLY A 39 12.239 0.848 -4.423 1.00 0.00 C ATOM 658 C GLY A 39 13.141 -0.319 -4.850 1.00 0.00 C ATOM 659 O GLY A 39 13.820 -0.234 -5.872 1.00 0.00 O ATOM 0 H GLY A 39 12.654 1.982 -2.731 1.00 0.00 H new ATOM 0 HA2 GLY A 39 11.228 0.650 -4.778 1.00 0.00 H new ATOM 0 HA3 GLY A 39 12.583 1.751 -4.927 1.00 0.00 H new ATOM 663 N CYS A 40 13.122 -1.411 -4.079 1.00 0.00 N ATOM 664 CA CYS A 40 13.866 -2.646 -4.270 1.00 0.00 C ATOM 665 C CYS A 40 13.191 -3.685 -3.356 1.00 0.00 C ATOM 666 O CYS A 40 13.793 -4.221 -2.427 1.00 0.00 O ATOM 667 CB CYS A 40 15.357 -2.393 -3.967 1.00 0.00 C ATOM 668 SG CYS A 40 16.460 -3.838 -3.973 1.00 0.00 S ATOM 0 H CYS A 40 12.539 -1.450 -3.243 1.00 0.00 H new ATOM 0 HA CYS A 40 13.847 -3.022 -5.293 1.00 0.00 H new ATOM 0 HB2 CYS A 40 15.734 -1.677 -4.697 1.00 0.00 H new ATOM 0 HB3 CYS A 40 15.427 -1.918 -2.989 1.00 0.00 H new ATOM 673 N GLY A 41 11.903 -3.941 -3.627 1.00 0.00 N ATOM 674 CA GLY A 41 11.047 -4.864 -2.900 1.00 0.00 C ATOM 675 C GLY A 41 9.603 -4.635 -3.351 1.00 0.00 C ATOM 676 O GLY A 41 9.307 -4.771 -4.539 1.00 0.00 O ATOM 0 H GLY A 41 11.415 -3.484 -4.397 1.00 0.00 H new ATOM 0 HA2 GLY A 41 11.347 -5.894 -3.095 1.00 0.00 H new ATOM 0 HA3 GLY A 41 11.140 -4.702 -1.826 1.00 0.00 H new ATOM 680 N GLY A 42 8.710 -4.281 -2.413 1.00 0.00 N ATOM 681 CA GLY A 42 7.300 -4.021 -2.682 1.00 0.00 C ATOM 682 C GLY A 42 6.511 -5.313 -2.925 1.00 0.00 C ATOM 683 O GLY A 42 6.999 -6.206 -3.619 1.00 0.00 O ATOM 0 H GLY A 42 8.960 -4.167 -1.431 1.00 0.00 H new ATOM 0 HA2 GLY A 42 6.864 -3.483 -1.840 1.00 0.00 H new ATOM 0 HA3 GLY A 42 7.211 -3.373 -3.554 1.00 0.00 H new ATOM 687 N ASN A 43 5.285 -5.413 -2.378 1.00 0.00 N ATOM 688 CA ASN A 43 4.447 -6.606 -2.511 1.00 0.00 C ATOM 689 C ASN A 43 2.948 -6.254 -2.653 1.00 0.00 C ATOM 690 O ASN A 43 2.578 -5.479 -3.535 1.00 0.00 O ATOM 691 CB ASN A 43 4.745 -7.569 -1.333 1.00 0.00 C ATOM 692 CG ASN A 43 6.220 -7.971 -1.218 1.00 0.00 C ATOM 693 OD1 ASN A 43 6.944 -7.458 -0.366 1.00 0.00 O ATOM 694 ND2 ASN A 43 6.672 -8.888 -2.078 1.00 0.00 N ATOM 0 H ASN A 43 4.853 -4.667 -1.833 1.00 0.00 H new ATOM 0 HA ASN A 43 4.697 -7.121 -3.438 1.00 0.00 H new ATOM 0 HB2 ASN A 43 4.434 -7.096 -0.402 1.00 0.00 H new ATOM 0 HB3 ASN A 43 4.141 -8.469 -1.450 1.00 0.00 H new ATOM 0 HD21 ASN A 43 7.647 -9.185 -2.041 1.00 0.00 H new ATOM 0 HD22 ASN A 43 6.042 -9.292 -2.771 1.00 0.00 H new ATOM 701 N SER A 44 2.101 -6.845 -1.795 1.00 0.00 N ATOM 702 CA SER A 44 0.645 -6.774 -1.713 1.00 0.00 C ATOM 703 C SER A 44 -0.010 -5.383 -1.741 1.00 0.00 C ATOM 704 O SER A 44 -0.222 -4.835 -2.823 1.00 0.00 O ATOM 705 CB SER A 44 0.217 -7.577 -0.471 1.00 0.00 C ATOM 706 OG SER A 44 0.924 -7.202 0.694 1.00 0.00 O ATOM 0 H SER A 44 2.469 -7.451 -1.062 1.00 0.00 H new ATOM 0 HA SER A 44 0.272 -7.199 -2.645 1.00 0.00 H new ATOM 0 HB2 SER A 44 -0.851 -7.437 -0.303 1.00 0.00 H new ATOM 0 HB3 SER A 44 0.373 -8.639 -0.659 1.00 0.00 H new ATOM 0 HG SER A 44 1.139 -8.002 1.218 1.00 0.00 H new ATOM 712 N ASN A 45 -0.381 -4.852 -0.562 1.00 0.00 N ATOM 713 CA ASN A 45 -1.079 -3.583 -0.326 1.00 0.00 C ATOM 714 C ASN A 45 -0.274 -2.303 -0.636 1.00 0.00 C ATOM 715 O ASN A 45 -0.374 -1.292 0.058 1.00 0.00 O ATOM 716 CB ASN A 45 -1.635 -3.612 1.115 1.00 0.00 C ATOM 717 CG ASN A 45 -2.711 -2.565 1.440 1.00 0.00 C ATOM 718 OD1 ASN A 45 -3.040 -1.700 0.630 1.00 0.00 O ATOM 719 ND2 ASN A 45 -3.274 -2.649 2.648 1.00 0.00 N ATOM 0 H ASN A 45 -0.184 -5.338 0.313 1.00 0.00 H new ATOM 0 HA ASN A 45 -1.889 -3.514 -1.052 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -2.050 -4.602 1.304 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -0.804 -3.478 1.807 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -3.998 -1.984 2.920 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -2.980 -3.378 3.298 1.00 0.00 H new ATOM 726 N ARG A 46 0.546 -2.370 -1.682 1.00 0.00 N ATOM 727 CA ARG A 46 1.378 -1.314 -2.228 1.00 0.00 C ATOM 728 C ARG A 46 0.596 -0.566 -3.318 1.00 0.00 C ATOM 729 O ARG A 46 0.278 -1.174 -4.342 1.00 0.00 O ATOM 730 CB ARG A 46 2.635 -1.991 -2.768 1.00 0.00 C ATOM 731 CG ARG A 46 3.627 -0.973 -3.351 1.00 0.00 C ATOM 732 CD ARG A 46 4.960 -1.621 -3.738 1.00 0.00 C ATOM 733 NE ARG A 46 4.781 -2.789 -4.620 1.00 0.00 N ATOM 734 CZ ARG A 46 5.538 -3.139 -5.677 1.00 0.00 C ATOM 735 NH1 ARG A 46 6.565 -2.383 -6.098 1.00 0.00 N ATOM 736 NH2 ARG A 46 5.264 -4.283 -6.319 1.00 0.00 N ATOM 0 H ARG A 46 0.650 -3.237 -2.209 1.00 0.00 H new ATOM 0 HA ARG A 46 1.659 -0.571 -1.482 1.00 0.00 H new ATOM 0 HB2 ARG A 46 3.118 -2.552 -1.968 1.00 0.00 H new ATOM 0 HB3 ARG A 46 2.358 -2.710 -3.539 1.00 0.00 H new ATOM 0 HG2 ARG A 46 3.186 -0.500 -4.229 1.00 0.00 H new ATOM 0 HG3 ARG A 46 3.807 -0.184 -2.621 1.00 0.00 H new ATOM 0 HD2 ARG A 46 5.588 -0.884 -4.239 1.00 0.00 H new ATOM 0 HD3 ARG A 46 5.487 -1.928 -2.835 1.00 0.00 H new ATOM 0 HE ARG A 46 3.994 -3.401 -4.405 1.00 0.00 H new ATOM 0 HH11 ARG A 46 6.791 -1.515 -5.613 1.00 0.00 H new ATOM 0 HH12 ARG A 46 7.119 -2.677 -6.903 1.00 0.00 H new ATOM 0 HH21 ARG A 46 4.493 -4.872 -6.005 1.00 0.00 H new ATOM 0 HH22 ARG A 46 5.827 -4.565 -7.122 1.00 0.00 H new ATOM 750 N PHE A 47 0.304 0.734 -3.139 1.00 0.00 N ATOM 751 CA PHE A 47 -0.448 1.539 -4.076 1.00 0.00 C ATOM 752 C PHE A 47 0.171 2.932 -4.256 1.00 0.00 C ATOM 753 O PHE A 47 0.500 3.594 -3.278 1.00 0.00 O ATOM 754 CB PHE A 47 -1.860 1.598 -3.503 1.00 0.00 C ATOM 755 CG PHE A 47 -2.660 0.337 -3.797 1.00 0.00 C ATOM 756 CD1 PHE A 47 -3.123 0.081 -5.109 1.00 0.00 C ATOM 757 CD2 PHE A 47 -2.896 -0.610 -2.774 1.00 0.00 C ATOM 758 CE1 PHE A 47 -3.834 -1.105 -5.389 1.00 0.00 C ATOM 759 CE2 PHE A 47 -3.609 -1.794 -3.054 1.00 0.00 C ATOM 760 CZ PHE A 47 -4.076 -2.042 -4.362 1.00 0.00 C ATOM 0 H PHE A 47 0.599 1.253 -2.312 1.00 0.00 H new ATOM 0 HA PHE A 47 -0.445 1.109 -5.077 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -1.805 1.747 -2.425 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -2.382 2.461 -3.918 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -2.932 0.794 -5.897 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -2.529 -0.426 -1.775 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -4.193 -1.296 -6.390 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -3.797 -2.510 -2.268 1.00 0.00 H new ATOM 0 HZ PHE A 47 -4.619 -2.950 -4.578 1.00 0.00 H new ATOM 770 N LYS A 48 0.307 3.378 -5.515 1.00 0.00 N ATOM 771 CA LYS A 48 0.873 4.655 -5.929 1.00 0.00 C ATOM 772 C LYS A 48 -0.136 5.795 -5.760 1.00 0.00 C ATOM 773 O LYS A 48 0.192 6.823 -5.173 1.00 0.00 O ATOM 774 CB LYS A 48 1.308 4.530 -7.402 1.00 0.00 C ATOM 775 CG LYS A 48 2.536 5.386 -7.722 1.00 0.00 C ATOM 776 CD LYS A 48 3.842 4.817 -7.137 1.00 0.00 C ATOM 777 CE LYS A 48 5.046 5.729 -7.415 1.00 0.00 C ATOM 778 NZ LYS A 48 5.356 5.827 -8.852 1.00 0.00 N ATOM 0 H LYS A 48 0.005 2.818 -6.312 1.00 0.00 H new ATOM 0 HA LYS A 48 1.730 4.894 -5.300 1.00 0.00 H new ATOM 0 HB2 LYS A 48 1.528 3.486 -7.626 1.00 0.00 H new ATOM 0 HB3 LYS A 48 0.482 4.828 -8.048 1.00 0.00 H new ATOM 0 HG2 LYS A 48 2.638 5.473 -8.804 1.00 0.00 H new ATOM 0 HG3 LYS A 48 2.380 6.393 -7.334 1.00 0.00 H new ATOM 0 HD2 LYS A 48 3.729 4.685 -6.061 1.00 0.00 H new ATOM 0 HD3 LYS A 48 4.029 3.831 -7.562 1.00 0.00 H new ATOM 0 HE2 LYS A 48 4.843 6.725 -7.021 1.00 0.00 H new ATOM 0 HE3 LYS A 48 5.918 5.348 -6.883 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 6.225 6.383 -8.983 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 5.493 4.873 -9.243 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 4.569 6.294 -9.346 1.00 0.00 H new ATOM 792 N THR A 49 -1.340 5.623 -6.324 1.00 0.00 N ATOM 793 CA THR A 49 -2.448 6.578 -6.250 1.00 0.00 C ATOM 794 C THR A 49 -3.525 5.944 -5.354 1.00 0.00 C ATOM 795 O THR A 49 -3.819 4.753 -5.472 1.00 0.00 O ATOM 796 CB THR A 49 -2.953 6.958 -7.659 1.00 0.00 C ATOM 797 OG1 THR A 49 -3.003 5.841 -8.523 1.00 0.00 O ATOM 798 CG2 THR A 49 -2.030 8.011 -8.290 1.00 0.00 C ATOM 0 H THR A 49 -1.574 4.788 -6.861 1.00 0.00 H new ATOM 0 HA THR A 49 -2.135 7.525 -5.810 1.00 0.00 H new ATOM 0 HB THR A 49 -3.961 7.354 -7.535 1.00 0.00 H new ATOM 0 HG1 THR A 49 -3.329 6.123 -9.403 1.00 0.00 H new ATOM 0 HG21 THR A 49 -2.398 8.269 -9.283 1.00 0.00 H new ATOM 0 HG22 THR A 49 -2.016 8.904 -7.665 1.00 0.00 H new ATOM 0 HG23 THR A 49 -1.020 7.608 -8.371 1.00 0.00 H new ATOM 806 N ILE A 50 -4.111 6.744 -4.449 1.00 0.00 N ATOM 807 CA ILE A 50 -5.114 6.289 -3.481 1.00 0.00 C ATOM 808 C ILE A 50 -6.466 5.896 -4.086 1.00 0.00 C ATOM 809 O ILE A 50 -7.286 5.286 -3.398 1.00 0.00 O ATOM 810 CB ILE A 50 -5.268 7.318 -2.335 1.00 0.00 C ATOM 811 CG1 ILE A 50 -6.016 8.607 -2.730 1.00 0.00 C ATOM 812 CG2 ILE A 50 -3.876 7.670 -1.785 1.00 0.00 C ATOM 813 CD1 ILE A 50 -6.178 9.539 -1.517 1.00 0.00 C ATOM 0 H ILE A 50 -3.896 7.738 -4.370 1.00 0.00 H new ATOM 0 HA ILE A 50 -4.727 5.355 -3.072 1.00 0.00 H new ATOM 0 HB ILE A 50 -5.887 6.842 -1.574 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -5.469 9.122 -3.520 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -6.997 8.355 -3.134 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -3.977 8.395 -0.977 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -3.396 6.768 -1.406 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -3.267 8.097 -2.582 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -6.708 10.442 -1.820 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -6.746 9.028 -0.739 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -5.195 9.808 -1.131 1.00 0.00 H new ATOM 825 N GLU A 51 -6.704 6.206 -5.364 1.00 0.00 N ATOM 826 CA GLU A 51 -7.939 5.880 -6.064 1.00 0.00 C ATOM 827 C GLU A 51 -7.866 4.412 -6.440 1.00 0.00 C ATOM 828 O GLU A 51 -8.784 3.636 -6.204 1.00 0.00 O ATOM 829 CB GLU A 51 -8.044 6.797 -7.285 1.00 0.00 C ATOM 830 CG GLU A 51 -8.030 8.277 -6.869 1.00 0.00 C ATOM 831 CD GLU A 51 -9.400 8.752 -6.380 1.00 0.00 C ATOM 832 OE1 GLU A 51 -9.652 8.619 -5.161 1.00 0.00 O ATOM 833 OE2 GLU A 51 -10.176 9.235 -7.233 1.00 0.00 O ATOM 0 H GLU A 51 -6.028 6.700 -5.947 1.00 0.00 H new ATOM 0 HA GLU A 51 -8.830 6.036 -5.456 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -7.215 6.599 -7.964 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -8.962 6.578 -7.830 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -7.293 8.424 -6.079 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -7.716 8.888 -7.715 1.00 0.00 H new ATOM 840 N GLU A 52 -6.709 4.092 -7.009 1.00 0.00 N ATOM 841 CA GLU A 52 -6.199 2.804 -7.437 1.00 0.00 C ATOM 842 C GLU A 52 -6.253 1.847 -6.245 1.00 0.00 C ATOM 843 O GLU A 52 -6.631 0.684 -6.381 1.00 0.00 O ATOM 844 CB GLU A 52 -4.742 3.031 -7.899 1.00 0.00 C ATOM 845 CG GLU A 52 -4.420 2.314 -9.214 1.00 0.00 C ATOM 846 CD GLU A 52 -4.472 0.791 -9.050 1.00 0.00 C ATOM 847 OE1 GLU A 52 -5.573 0.228 -9.237 1.00 0.00 O ATOM 848 OE2 GLU A 52 -3.411 0.215 -8.724 1.00 0.00 O ATOM 0 H GLU A 52 -6.026 4.824 -7.203 1.00 0.00 H new ATOM 0 HA GLU A 52 -6.782 2.374 -8.251 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -4.566 4.100 -8.020 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -4.061 2.682 -7.123 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -5.130 2.623 -9.981 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -3.429 2.610 -9.558 1.00 0.00 H new ATOM 855 N CYS A 53 -5.854 2.367 -5.074 1.00 0.00 N ATOM 856 CA CYS A 53 -5.881 1.672 -3.806 1.00 0.00 C ATOM 857 C CYS A 53 -7.336 1.354 -3.519 1.00 0.00 C ATOM 858 O CYS A 53 -7.686 0.181 -3.448 1.00 0.00 O ATOM 859 CB CYS A 53 -5.287 2.558 -2.709 1.00 0.00 C ATOM 860 SG CYS A 53 -4.780 1.723 -1.179 1.00 0.00 S ATOM 0 H CYS A 53 -5.493 3.318 -4.996 1.00 0.00 H new ATOM 0 HA CYS A 53 -5.287 0.758 -3.838 1.00 0.00 H new ATOM 0 HB2 CYS A 53 -4.419 3.074 -3.120 1.00 0.00 H new ATOM 0 HB3 CYS A 53 -6.021 3.322 -2.453 1.00 0.00 H new ATOM 865 N ARG A 54 -8.183 2.395 -3.435 1.00 0.00 N ATOM 866 CA ARG A 54 -9.601 2.189 -3.148 1.00 0.00 C ATOM 867 C ARG A 54 -10.351 1.345 -4.195 1.00 0.00 C ATOM 868 O ARG A 54 -11.375 0.768 -3.846 1.00 0.00 O ATOM 869 CB ARG A 54 -10.332 3.513 -2.913 1.00 0.00 C ATOM 870 CG ARG A 54 -9.913 4.176 -1.589 1.00 0.00 C ATOM 871 CD ARG A 54 -10.993 5.158 -1.122 1.00 0.00 C ATOM 872 NE ARG A 54 -10.936 6.405 -1.900 1.00 0.00 N ATOM 873 CZ ARG A 54 -11.741 7.470 -1.745 1.00 0.00 C ATOM 874 NH1 ARG A 54 -12.714 7.479 -0.820 1.00 0.00 N ATOM 875 NH2 ARG A 54 -11.566 8.542 -2.531 1.00 0.00 N ATOM 0 H ARG A 54 -7.910 3.370 -3.560 1.00 0.00 H new ATOM 0 HA ARG A 54 -9.608 1.606 -2.227 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -10.126 4.193 -3.740 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -11.408 3.337 -2.906 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -9.751 3.413 -0.827 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -8.967 4.701 -1.720 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -11.977 4.702 -1.229 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -10.858 5.378 -0.063 1.00 0.00 H new ATOM 0 HE ARG A 54 -10.220 6.467 -2.624 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -12.853 6.667 -0.218 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -13.314 8.298 -0.719 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -10.829 8.543 -3.236 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -12.170 9.357 -2.424 1.00 0.00 H new ATOM 889 N ARG A 55 -9.912 1.254 -5.458 1.00 0.00 N ATOM 890 CA ARG A 55 -10.596 0.425 -6.453 1.00 0.00 C ATOM 891 C ARG A 55 -10.625 -1.068 -6.069 1.00 0.00 C ATOM 892 O ARG A 55 -11.591 -1.780 -6.341 1.00 0.00 O ATOM 893 CB ARG A 55 -9.862 0.560 -7.798 1.00 0.00 C ATOM 894 CG ARG A 55 -10.270 1.821 -8.582 1.00 0.00 C ATOM 895 CD ARG A 55 -10.326 1.581 -10.096 1.00 0.00 C ATOM 896 NE ARG A 55 -9.032 1.158 -10.654 1.00 0.00 N ATOM 897 CZ ARG A 55 -8.015 1.967 -11.004 1.00 0.00 C ATOM 898 NH1 ARG A 55 -8.040 3.282 -10.736 1.00 0.00 N ATOM 899 NH2 ARG A 55 -6.956 1.446 -11.640 1.00 0.00 N ATOM 0 H ARG A 55 -9.090 1.743 -5.811 1.00 0.00 H new ATOM 0 HA ARG A 55 -11.626 0.775 -6.513 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -8.787 0.582 -7.618 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -10.065 -0.321 -8.407 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -11.246 2.160 -8.235 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -9.561 2.621 -8.371 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -11.076 0.820 -10.311 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -10.649 2.496 -10.593 1.00 0.00 H new ATOM 0 HE ARG A 55 -8.892 0.157 -10.788 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -8.843 3.690 -10.256 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -7.256 3.874 -11.012 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -6.929 0.449 -11.852 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -6.178 2.047 -11.911 1.00 0.00 H new ATOM 913 N THR A 56 -9.531 -1.505 -5.448 1.00 0.00 N ATOM 914 CA THR A 56 -9.203 -2.853 -5.006 1.00 0.00 C ATOM 915 C THR A 56 -9.502 -3.078 -3.516 1.00 0.00 C ATOM 916 O THR A 56 -9.996 -4.137 -3.133 1.00 0.00 O ATOM 917 CB THR A 56 -7.702 -3.061 -5.314 1.00 0.00 C ATOM 918 OG1 THR A 56 -7.463 -2.883 -6.699 1.00 0.00 O ATOM 919 CG2 THR A 56 -7.224 -4.461 -4.925 1.00 0.00 C ATOM 0 H THR A 56 -8.778 -0.855 -5.221 1.00 0.00 H new ATOM 0 HA THR A 56 -9.823 -3.579 -5.532 1.00 0.00 H new ATOM 0 HB THR A 56 -7.153 -2.326 -4.726 1.00 0.00 H new ATOM 0 HG1 THR A 56 -6.510 -3.015 -6.886 1.00 0.00 H new ATOM 0 HG21 THR A 56 -6.164 -4.562 -5.159 1.00 0.00 H new ATOM 0 HG22 THR A 56 -7.375 -4.613 -3.856 1.00 0.00 H new ATOM 0 HG23 THR A 56 -7.791 -5.207 -5.482 1.00 0.00 H new ATOM 927 N CYS A 57 -9.182 -2.093 -2.670 1.00 0.00 N ATOM 928 CA CYS A 57 -9.352 -2.091 -1.237 1.00 0.00 C ATOM 929 C CYS A 57 -10.776 -1.761 -0.824 1.00 0.00 C ATOM 930 O CYS A 57 -11.272 -2.311 0.159 1.00 0.00 O ATOM 931 CB CYS A 57 -8.370 -1.063 -0.679 1.00 0.00 C ATOM 932 SG CYS A 57 -6.629 -1.472 -0.964 1.00 0.00 S ATOM 0 H CYS A 57 -8.770 -1.222 -3.005 1.00 0.00 H new ATOM 0 HA CYS A 57 -9.154 -3.086 -0.839 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -8.582 -0.093 -1.128 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -8.537 -0.961 0.393 1.00 0.00 H new ATOM 937 N ILE A 58 -11.401 -0.851 -1.576 1.00 0.00 N ATOM 938 CA ILE A 58 -12.781 -0.410 -1.340 1.00 0.00 C ATOM 939 C ILE A 58 -13.679 -0.920 -2.481 1.00 0.00 C ATOM 940 O ILE A 58 -13.227 -1.255 -3.577 1.00 0.00 O ATOM 941 CB ILE A 58 -12.932 1.112 -1.119 1.00 0.00 C ATOM 942 CG1 ILE A 58 -11.829 1.691 -0.215 1.00 0.00 C ATOM 943 CG2 ILE A 58 -14.276 1.466 -0.449 1.00 0.00 C ATOM 944 CD1 ILE A 58 -11.781 1.153 1.207 1.00 0.00 C ATOM 0 H ILE A 58 -10.960 -0.394 -2.374 1.00 0.00 H new ATOM 0 HA ILE A 58 -13.103 -0.849 -0.396 1.00 0.00 H new ATOM 0 HB ILE A 58 -12.867 1.543 -2.118 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -10.864 1.502 -0.686 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -11.955 2.773 -0.169 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -14.341 2.545 -0.312 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -15.098 1.130 -1.082 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -14.340 0.973 0.521 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -10.966 1.632 1.750 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -12.725 1.366 1.708 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -11.617 0.076 1.183 1.00 0.00 H new ATOM 956 N ARG A 59 -14.977 -0.987 -2.182 1.00 0.00 N ATOM 957 CA ARG A 59 -16.050 -1.425 -3.057 1.00 0.00 C ATOM 958 C ARG A 59 -16.432 -0.302 -4.032 1.00 0.00 C ATOM 959 O ARG A 59 -16.694 0.822 -3.604 1.00 0.00 O ATOM 960 CB ARG A 59 -17.256 -1.835 -2.195 1.00 0.00 C ATOM 961 CG ARG A 59 -18.353 -2.459 -3.063 1.00 0.00 C ATOM 962 CD ARG A 59 -19.416 -3.154 -2.204 1.00 0.00 C ATOM 963 NE ARG A 59 -20.425 -3.831 -3.033 1.00 0.00 N ATOM 964 CZ ARG A 59 -20.257 -4.994 -3.692 1.00 0.00 C ATOM 965 NH1 ARG A 59 -19.100 -5.674 -3.633 1.00 0.00 N ATOM 966 NH2 ARG A 59 -21.267 -5.484 -4.424 1.00 0.00 N ATOM 0 H ARG A 59 -15.323 -0.718 -1.261 1.00 0.00 H new ATOM 0 HA ARG A 59 -15.722 -2.281 -3.647 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -16.939 -2.547 -1.433 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -17.650 -0.963 -1.673 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -18.822 -1.686 -3.671 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -17.910 -3.180 -3.750 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -18.936 -3.880 -1.548 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -19.904 -2.419 -1.563 1.00 0.00 H new ATOM 0 HE ARG A 59 -21.335 -3.378 -3.117 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -18.323 -5.312 -3.080 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -18.998 -6.552 -4.141 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -22.151 -4.977 -4.478 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -21.152 -6.364 -4.928 1.00 0.00 H new ATOM 980 N LYS A 60 -16.471 -0.622 -5.335 1.00 0.00 N ATOM 981 CA LYS A 60 -16.824 0.287 -6.423 1.00 0.00 C ATOM 982 C LYS A 60 -17.899 -0.389 -7.285 1.00 0.00 C ATOM 983 O LYS A 60 -17.585 -1.446 -7.877 1.00 0.00 O ATOM 984 CB LYS A 60 -15.581 0.638 -7.265 1.00 0.00 C ATOM 985 CG LYS A 60 -14.447 1.332 -6.491 1.00 0.00 C ATOM 986 CD LYS A 60 -14.821 2.717 -5.938 1.00 0.00 C ATOM 987 CE LYS A 60 -13.674 3.348 -5.131 1.00 0.00 C ATOM 988 NZ LYS A 60 -12.488 3.638 -5.956 1.00 0.00 N ATOM 989 OXT LYS A 60 -19.023 0.157 -7.336 1.00 0.00 O ATOM 0 H LYS A 60 -16.247 -1.560 -5.667 1.00 0.00 H new ATOM 0 HA LYS A 60 -17.213 1.221 -6.017 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -15.191 -0.278 -7.708 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -15.888 1.284 -8.087 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -14.142 0.692 -5.663 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -13.584 1.436 -7.148 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -15.088 3.376 -6.764 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -15.703 2.627 -5.304 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -14.025 4.271 -4.670 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -13.392 2.675 -4.321 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -12.024 4.500 -5.606 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -11.823 2.840 -5.901 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -12.779 3.779 -6.945 1.00 0.00 H new