USER MOD reduce.3.24.130724 H: found=0, std=0, add=880, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 879 hydrogens (32 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: A 18 HIS HE2 : A 18 HIS NE2 : A 105 HECFE :(H bumps) USER MOD NoAdj-H: A 105 HEC HAC : A 105 HEC CAC : A 17 CYS SG :(H bumps) USER MOD NoAdj-H: A 105 HEC HAB : A 105 HEC CAB : A 14 CYS SG :(H bumps) USER MOD NoAdj-H: A 105 HEC H2D : A 105 HEC O2D : A 105 HEC CGD :(short bond) USER MOD Set 1.1: A 67 TYR OH : rot -122:sc= 1.38 USER MOD Set 1.2: A 78 THR OG1 : rot 170:sc= 0.63 USER MOD Set 2.1: A 40 THR OG1 : rot 4:sc= 0.811 USER MOD Set 2.2: A 48 TYR OH : rot 72:sc= 1.41 USER MOD Set 3.1: A 27 LYS NZ :NH3+ 177:sc= 1.17 (180deg=0) USER MOD Set 3.2: A 28 THR OG1 : rot -110:sc= 0.676 USER MOD Set 4.1: A 12 GLN : amide:sc= 0.876 K(o=2,f=-11!) USER MOD Set 4.2: A 13 LYS NZ :NH3+ -139:sc= 1.16 (180deg=0) USER MOD Single : A 1 GLY N :NH3+ -159:sc= -1.1 (180deg=-2.11) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ -129:sc= 1.16 (180deg=-1.12!) USER MOD Single : A 8 LYS NZ :NH3+ -155:sc= 0 (180deg=-0.000802) USER MOD Single : A 16 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 THR OG1 : rot 58:sc= 0.334 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 HIS : no HD1:sc= -0.213 X(o=-0.21,f=-0.22) USER MOD Single : A 31 ASN : amide:sc= -0.0581 K(o=-0.058,f=-1.6!) USER MOD Single : A 33 HIS : no HD1:sc=-0.00897 X(o=-0.009,f=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 GLN : amide:sc= 0 K(o=0,f=-0.9) USER MOD Single : A 47 THR OG1 : rot -52:sc= 0.478 USER MOD Single : A 49 THR OG1 : rot 79:sc= 0.726 USER MOD Single : A 52 ASN : amide:sc= 1.09 K(o=1.1,f=-0.49!) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 ASN : amide:sc= -0.0779 X(o=-0.078,f=-0.11) USER MOD Single : A 55 LYS NZ :NH3+ 153:sc= -0.24 (180deg=-0.899) USER MOD Single : A 58 THR OG1 : rot 180:sc= -0.239 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 THR OG1 : rot -167:sc= 1.29 USER MOD Single : A 65 MET CE :methyl -169:sc= 0 (180deg=-0.0906) USER MOD Single : A 70 ASN : amide:sc= -1.24 K(o=-1.2,f=-0.66) USER MOD Single : A 72 LYS NZ :NH3+ 158:sc=-0.00884 (180deg=-0.632) USER MOD Single : A 73 LYS NZ :NH3+ -172:sc= 1.18 (180deg=1.01) USER MOD Single : A 74 TYR OH : rot -15:sc= 0 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 MET CE :methyl 180:sc= -0.0993 (180deg=-0.0993) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 LYS NZ :NH3+ -165:sc= -0.064 (180deg=-0.388) USER MOD Single : A 88 LYS NZ :NH3+ -161:sc= 1.34 (180deg=1.01) USER MOD Single : A 89 THR OG1 : rot 74:sc= 1.18 USER MOD Single : A 97 TYR OH : rot -176:sc= 0.645 USER MOD Single : A 99 LYS NZ :NH3+ 134:sc= 2.24 (180deg=-0.503) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 THR OG1 : rot 99:sc= 0.194 USER MOD Single : A 103 ASN : amide:sc= -0.272 X(o=-0.27,f=-0.25) USER MOD Single : A 105 HEC O2A : rot -164:sc= -1.54 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -11.996 9.764 4.837 1.00 0.00 N ATOM 2 CA GLY A 1 -11.254 10.210 6.004 1.00 0.00 C ATOM 3 C GLY A 1 -10.596 11.499 5.550 1.00 0.00 C ATOM 4 O GLY A 1 -11.116 12.094 4.606 1.00 0.00 O ATOM 0 H1 GLY A 1 -12.746 9.107 5.133 1.00 0.00 H new ATOM 0 H2 GLY A 1 -12.422 10.585 4.362 1.00 0.00 H new ATOM 0 H3 GLY A 1 -11.351 9.280 4.180 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -11.913 10.377 6.856 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -10.514 9.471 6.313 1.00 0.00 H new ATOM 10 N ASP A 2 -9.507 11.903 6.184 1.00 0.00 N ATOM 11 CA ASP A 2 -8.861 13.184 5.948 1.00 0.00 C ATOM 12 C ASP A 2 -7.761 12.997 4.902 1.00 0.00 C ATOM 13 O ASP A 2 -8.038 12.613 3.771 1.00 0.00 O ATOM 14 CB ASP A 2 -8.342 13.754 7.281 1.00 0.00 C ATOM 15 CG ASP A 2 -9.434 13.854 8.332 1.00 0.00 C ATOM 16 OD1 ASP A 2 -9.642 12.825 9.010 1.00 0.00 O ATOM 17 OD2 ASP A 2 -10.017 14.951 8.444 1.00 0.00 O ATOM 0 H ASP A 2 -9.038 11.338 6.892 1.00 0.00 H new ATOM 0 HA ASP A 2 -9.567 13.914 5.551 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -7.538 13.120 7.655 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -7.915 14.742 7.109 1.00 0.00 H new ATOM 22 N VAL A 3 -6.511 13.259 5.290 1.00 0.00 N ATOM 23 CA VAL A 3 -5.323 13.188 4.457 1.00 0.00 C ATOM 24 C VAL A 3 -4.103 13.128 5.384 1.00 0.00 C ATOM 25 O VAL A 3 -3.298 12.196 5.327 1.00 0.00 O ATOM 26 CB VAL A 3 -5.330 14.378 3.474 1.00 0.00 C ATOM 27 CG1 VAL A 3 -5.389 15.768 4.127 1.00 0.00 C ATOM 28 CG2 VAL A 3 -4.130 14.327 2.531 1.00 0.00 C ATOM 0 H VAL A 3 -6.296 13.541 6.246 1.00 0.00 H new ATOM 0 HA VAL A 3 -5.292 12.292 3.836 1.00 0.00 H new ATOM 0 HB VAL A 3 -6.262 14.254 2.923 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -5.389 16.534 3.352 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -6.299 15.852 4.721 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -4.521 15.904 4.772 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -4.165 15.179 1.852 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -3.209 14.364 3.112 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -4.159 13.402 1.955 1.00 0.00 H new ATOM 38 N GLU A 4 -4.027 14.084 6.314 1.00 0.00 N ATOM 39 CA GLU A 4 -3.005 14.133 7.348 1.00 0.00 C ATOM 40 C GLU A 4 -3.132 12.896 8.230 1.00 0.00 C ATOM 41 O GLU A 4 -2.159 12.177 8.451 1.00 0.00 O ATOM 42 CB GLU A 4 -3.149 15.426 8.167 1.00 0.00 C ATOM 43 CG GLU A 4 -2.744 16.675 7.366 1.00 0.00 C ATOM 44 CD GLU A 4 -1.290 16.624 6.911 1.00 0.00 C ATOM 45 OE1 GLU A 4 -0.381 16.702 7.763 1.00 0.00 O ATOM 46 OE2 GLU A 4 -1.013 16.421 5.704 1.00 0.00 O ATOM 0 H GLU A 4 -4.690 14.858 6.365 1.00 0.00 H new ATOM 0 HA GLU A 4 -2.013 14.138 6.896 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -4.182 15.530 8.499 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -2.532 15.356 9.063 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -3.392 16.771 6.495 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -2.900 17.563 7.979 1.00 0.00 H new ATOM 53 N LYS A 5 -4.356 12.626 8.696 1.00 0.00 N ATOM 54 CA LYS A 5 -4.655 11.400 9.418 1.00 0.00 C ATOM 55 C LYS A 5 -4.176 10.186 8.639 1.00 0.00 C ATOM 56 O LYS A 5 -3.581 9.302 9.242 1.00 0.00 O ATOM 57 CB LYS A 5 -6.151 11.286 9.721 1.00 0.00 C ATOM 58 CG LYS A 5 -6.548 12.209 10.883 1.00 0.00 C ATOM 59 CD LYS A 5 -7.220 11.399 12.001 1.00 0.00 C ATOM 60 CE LYS A 5 -7.135 12.142 13.341 1.00 0.00 C ATOM 61 NZ LYS A 5 -7.865 11.430 14.408 1.00 0.00 N ATOM 0 H LYS A 5 -5.155 13.249 8.581 1.00 0.00 H new ATOM 0 HA LYS A 5 -4.121 11.435 10.367 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -6.727 11.545 8.833 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -6.398 10.254 9.971 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -5.665 12.716 11.272 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -7.228 12.983 10.526 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -8.264 11.217 11.747 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -6.739 10.425 12.089 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -6.090 12.255 13.629 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -7.545 13.146 13.227 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -7.785 11.962 15.298 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -8.868 11.344 14.145 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -7.458 10.481 14.534 1.00 0.00 H new ATOM 75 N GLY A 6 -4.380 10.153 7.321 1.00 0.00 N ATOM 76 CA GLY A 6 -3.912 9.030 6.522 1.00 0.00 C ATOM 77 C GLY A 6 -2.409 8.883 6.705 1.00 0.00 C ATOM 78 O GLY A 6 -1.925 7.819 7.082 1.00 0.00 O ATOM 0 H GLY A 6 -4.860 10.883 6.794 1.00 0.00 H new ATOM 0 HA2 GLY A 6 -4.419 8.114 6.826 1.00 0.00 H new ATOM 0 HA3 GLY A 6 -4.149 9.192 5.470 1.00 0.00 H new ATOM 82 N LYS A 7 -1.671 9.975 6.489 1.00 0.00 N ATOM 83 CA LYS A 7 -0.217 9.955 6.537 1.00 0.00 C ATOM 84 C LYS A 7 0.335 9.644 7.929 1.00 0.00 C ATOM 85 O LYS A 7 1.445 9.131 8.050 1.00 0.00 O ATOM 86 CB LYS A 7 0.362 11.172 5.797 1.00 0.00 C ATOM 87 CG LYS A 7 0.941 12.268 6.677 1.00 0.00 C ATOM 88 CD LYS A 7 1.098 13.561 5.855 1.00 0.00 C ATOM 89 CE LYS A 7 2.012 14.575 6.560 1.00 0.00 C ATOM 90 NZ LYS A 7 1.657 15.972 6.234 1.00 0.00 N ATOM 0 H LYS A 7 -2.067 10.891 6.277 1.00 0.00 H new ATOM 0 HA LYS A 7 0.155 9.099 5.974 1.00 0.00 H new ATOM 0 HB2 LYS A 7 1.143 10.824 5.121 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -0.424 11.606 5.179 1.00 0.00 H new ATOM 0 HG2 LYS A 7 0.288 12.445 7.532 1.00 0.00 H new ATOM 0 HG3 LYS A 7 1.908 11.957 7.074 1.00 0.00 H new ATOM 0 HD2 LYS A 7 1.509 13.321 4.874 1.00 0.00 H new ATOM 0 HD3 LYS A 7 0.118 14.008 5.689 1.00 0.00 H new ATOM 0 HE2 LYS A 7 1.949 14.429 7.638 1.00 0.00 H new ATOM 0 HE3 LYS A 7 3.047 14.389 6.273 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 2.508 16.484 5.926 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 0.951 15.982 5.470 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 1.261 16.435 7.077 1.00 0.00 H new ATOM 104 N LYS A 8 -0.449 9.896 8.978 1.00 0.00 N ATOM 105 CA LYS A 8 -0.052 9.628 10.352 1.00 0.00 C ATOM 106 C LYS A 8 -0.337 8.161 10.711 1.00 0.00 C ATOM 107 O LYS A 8 0.515 7.464 11.263 1.00 0.00 O ATOM 108 CB LYS A 8 -0.786 10.623 11.271 1.00 0.00 C ATOM 109 CG LYS A 8 0.072 11.229 12.392 1.00 0.00 C ATOM 110 CD LYS A 8 0.329 10.273 13.569 1.00 0.00 C ATOM 111 CE LYS A 8 1.681 9.545 13.510 1.00 0.00 C ATOM 112 NZ LYS A 8 2.826 10.436 13.798 1.00 0.00 N ATOM 0 H LYS A 8 -1.384 10.295 8.892 1.00 0.00 H new ATOM 0 HA LYS A 8 1.021 9.771 10.483 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -1.183 11.434 10.660 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -1.639 10.116 11.721 1.00 0.00 H new ATOM 0 HG2 LYS A 8 1.029 11.541 11.975 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -0.420 12.127 12.767 1.00 0.00 H new ATOM 0 HD2 LYS A 8 0.275 10.838 14.499 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -0.469 9.531 13.600 1.00 0.00 H new ATOM 0 HE2 LYS A 8 1.677 8.723 14.226 1.00 0.00 H new ATOM 0 HE3 LYS A 8 1.809 9.105 12.521 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 3.684 10.053 13.352 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 2.632 11.384 13.418 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 2.968 10.498 14.826 1.00 0.00 H new ATOM 126 N ILE A 9 -1.548 7.689 10.416 1.00 0.00 N ATOM 127 CA ILE A 9 -2.030 6.378 10.812 1.00 0.00 C ATOM 128 C ILE A 9 -1.343 5.323 9.955 1.00 0.00 C ATOM 129 O ILE A 9 -0.912 4.297 10.483 1.00 0.00 O ATOM 130 CB ILE A 9 -3.564 6.372 10.709 1.00 0.00 C ATOM 131 CG1 ILE A 9 -4.140 7.143 11.912 1.00 0.00 C ATOM 132 CG2 ILE A 9 -4.133 4.954 10.694 1.00 0.00 C ATOM 133 CD1 ILE A 9 -5.589 7.584 11.692 1.00 0.00 C ATOM 0 H ILE A 9 -2.233 8.225 9.882 1.00 0.00 H new ATOM 0 HA ILE A 9 -1.784 6.141 11.847 1.00 0.00 H new ATOM 0 HB ILE A 9 -3.846 6.847 9.769 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -4.087 6.514 12.801 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -3.523 8.020 12.105 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -5.220 4.999 10.620 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -3.733 4.411 9.838 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -3.853 4.440 11.613 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -5.943 8.122 12.571 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -5.642 8.237 10.821 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -6.215 6.707 11.527 1.00 0.00 H new ATOM 145 N PHE A 10 -1.187 5.608 8.657 1.00 0.00 N ATOM 146 CA PHE A 10 -0.334 4.826 7.781 1.00 0.00 C ATOM 147 C PHE A 10 0.998 4.597 8.481 1.00 0.00 C ATOM 148 O PHE A 10 1.345 3.477 8.822 1.00 0.00 O ATOM 149 CB PHE A 10 -0.131 5.555 6.440 1.00 0.00 C ATOM 150 CG PHE A 10 1.002 5.018 5.587 1.00 0.00 C ATOM 151 CD1 PHE A 10 0.817 3.882 4.793 1.00 0.00 C ATOM 152 CD2 PHE A 10 2.299 5.527 5.756 1.00 0.00 C ATOM 153 CE1 PHE A 10 1.928 3.213 4.257 1.00 0.00 C ATOM 154 CE2 PHE A 10 3.410 4.870 5.222 1.00 0.00 C ATOM 155 CZ PHE A 10 3.220 3.710 4.458 1.00 0.00 C ATOM 0 H PHE A 10 -1.652 6.388 8.193 1.00 0.00 H new ATOM 0 HA PHE A 10 -0.801 3.865 7.566 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -1.057 5.497 5.867 1.00 0.00 H new ATOM 0 HB3 PHE A 10 0.053 6.610 6.641 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -0.180 3.520 4.592 1.00 0.00 H new ATOM 0 HD2 PHE A 10 2.441 6.444 6.309 1.00 0.00 H new ATOM 0 HE1 PHE A 10 1.785 2.308 3.685 1.00 0.00 H new ATOM 0 HE2 PHE A 10 4.405 5.252 5.396 1.00 0.00 H new ATOM 0 HZ PHE A 10 4.069 3.201 4.026 1.00 0.00 H new ATOM 165 N VAL A 11 1.730 5.675 8.751 1.00 0.00 N ATOM 166 CA VAL A 11 3.044 5.583 9.345 1.00 0.00 C ATOM 167 C VAL A 11 2.975 4.777 10.644 1.00 0.00 C ATOM 168 O VAL A 11 3.852 3.958 10.897 1.00 0.00 O ATOM 169 CB VAL A 11 3.686 6.981 9.489 1.00 0.00 C ATOM 170 CG1 VAL A 11 4.579 7.087 10.727 1.00 0.00 C ATOM 171 CG2 VAL A 11 4.536 7.368 8.269 1.00 0.00 C ATOM 0 H VAL A 11 1.423 6.629 8.562 1.00 0.00 H new ATOM 0 HA VAL A 11 3.715 5.033 8.684 1.00 0.00 H new ATOM 0 HB VAL A 11 2.842 7.664 9.580 1.00 0.00 H new ATOM 0 HG11 VAL A 11 5.006 8.088 10.783 1.00 0.00 H new ATOM 0 HG12 VAL A 11 3.986 6.895 11.621 1.00 0.00 H new ATOM 0 HG13 VAL A 11 5.382 6.353 10.660 1.00 0.00 H new ATOM 0 HG21 VAL A 11 4.963 8.359 8.423 1.00 0.00 H new ATOM 0 HG22 VAL A 11 5.339 6.642 8.140 1.00 0.00 H new ATOM 0 HG23 VAL A 11 3.909 7.378 7.377 1.00 0.00 H new ATOM 181 N GLN A 12 1.935 4.971 11.463 1.00 0.00 N ATOM 182 CA GLN A 12 1.816 4.231 12.706 1.00 0.00 C ATOM 183 C GLN A 12 1.884 2.714 12.477 1.00 0.00 C ATOM 184 O GLN A 12 2.572 2.036 13.236 1.00 0.00 O ATOM 185 CB GLN A 12 0.546 4.617 13.480 1.00 0.00 C ATOM 186 CG GLN A 12 0.724 4.250 14.967 1.00 0.00 C ATOM 187 CD GLN A 12 -0.571 3.884 15.688 1.00 0.00 C ATOM 188 OE1 GLN A 12 -1.541 3.433 15.082 1.00 0.00 O ATOM 189 NE2 GLN A 12 -0.595 4.034 17.008 1.00 0.00 N ATOM 0 H GLN A 12 1.176 5.628 11.283 1.00 0.00 H new ATOM 0 HA GLN A 12 2.673 4.509 13.320 1.00 0.00 H new ATOM 0 HB2 GLN A 12 0.354 5.685 13.378 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -0.318 4.097 13.066 1.00 0.00 H new ATOM 0 HG2 GLN A 12 1.416 3.411 15.041 1.00 0.00 H new ATOM 0 HG3 GLN A 12 1.187 5.091 15.483 1.00 0.00 H new ATOM 0 HE21 GLN A 12 0.220 4.410 17.493 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -1.428 3.773 17.536 1.00 0.00 H new ATOM 198 N LYS A 13 1.139 2.169 11.500 1.00 0.00 N ATOM 199 CA LYS A 13 0.986 0.709 11.394 1.00 0.00 C ATOM 200 C LYS A 13 1.627 0.083 10.154 1.00 0.00 C ATOM 201 O LYS A 13 1.753 -1.139 10.087 1.00 0.00 O ATOM 202 CB LYS A 13 -0.492 0.319 11.407 1.00 0.00 C ATOM 203 CG LYS A 13 -1.292 0.936 12.561 1.00 0.00 C ATOM 204 CD LYS A 13 -2.529 1.659 12.017 1.00 0.00 C ATOM 205 CE LYS A 13 -3.745 1.459 12.929 1.00 0.00 C ATOM 206 NZ LYS A 13 -3.673 2.260 14.159 1.00 0.00 N ATOM 0 H LYS A 13 0.643 2.704 10.787 1.00 0.00 H new ATOM 0 HA LYS A 13 1.515 0.319 12.264 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -0.945 0.621 10.463 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -0.570 -0.767 11.465 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -1.595 0.157 13.261 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -0.666 1.636 13.114 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -2.316 2.724 11.921 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -2.758 1.289 11.018 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -4.651 1.722 12.382 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -3.826 0.404 13.192 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -4.005 1.691 14.964 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -2.689 2.553 14.325 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -4.273 3.103 14.060 1.00 0.00 H new ATOM 220 N CYS A 14 1.971 0.890 9.155 1.00 0.00 N ATOM 221 CA CYS A 14 2.388 0.431 7.839 1.00 0.00 C ATOM 222 C CYS A 14 3.896 0.644 7.744 1.00 0.00 C ATOM 223 O CYS A 14 4.601 -0.215 7.229 1.00 0.00 O ATOM 224 CB CYS A 14 1.697 1.187 6.723 1.00 0.00 C ATOM 225 SG CYS A 14 -0.122 1.382 6.790 1.00 0.00 S ATOM 0 H CYS A 14 1.967 1.906 9.243 1.00 0.00 H new ATOM 0 HA CYS A 14 2.118 -0.619 7.723 1.00 0.00 H new ATOM 0 HB2 CYS A 14 2.135 2.184 6.678 1.00 0.00 H new ATOM 0 HB3 CYS A 14 1.942 0.689 5.785 1.00 0.00 H new ATOM 230 N ALA A 15 4.400 1.782 8.246 1.00 0.00 N ATOM 231 CA ALA A 15 5.798 2.186 8.093 1.00 0.00 C ATOM 232 C ALA A 15 6.808 1.130 8.515 1.00 0.00 C ATOM 233 O ALA A 15 7.865 1.029 7.899 1.00 0.00 O ATOM 234 CB ALA A 15 6.104 3.430 8.905 1.00 0.00 C ATOM 0 H ALA A 15 3.839 2.451 8.774 1.00 0.00 H new ATOM 0 HA ALA A 15 5.903 2.361 7.022 1.00 0.00 H new ATOM 0 HB1 ALA A 15 7.150 3.704 8.770 1.00 0.00 H new ATOM 0 HB2 ALA A 15 5.468 4.249 8.569 1.00 0.00 H new ATOM 0 HB3 ALA A 15 5.914 3.232 9.960 1.00 0.00 H new ATOM 240 N GLN A 16 6.503 0.374 9.576 1.00 0.00 N ATOM 241 CA GLN A 16 7.330 -0.727 10.047 1.00 0.00 C ATOM 242 C GLN A 16 7.782 -1.608 8.878 1.00 0.00 C ATOM 243 O GLN A 16 8.893 -2.134 8.878 1.00 0.00 O ATOM 244 CB GLN A 16 6.530 -1.541 11.076 1.00 0.00 C ATOM 245 CG GLN A 16 7.455 -2.017 12.196 1.00 0.00 C ATOM 246 CD GLN A 16 6.722 -2.910 13.195 1.00 0.00 C ATOM 247 OE1 GLN A 16 5.688 -2.533 13.732 1.00 0.00 O ATOM 248 NE2 GLN A 16 7.248 -4.103 13.458 1.00 0.00 N ATOM 0 H GLN A 16 5.662 0.517 10.135 1.00 0.00 H new ATOM 0 HA GLN A 16 8.229 -0.332 10.520 1.00 0.00 H new ATOM 0 HB2 GLN A 16 5.727 -0.931 11.490 1.00 0.00 H new ATOM 0 HB3 GLN A 16 6.062 -2.397 10.591 1.00 0.00 H new ATOM 0 HG2 GLN A 16 8.294 -2.564 11.767 1.00 0.00 H new ATOM 0 HG3 GLN A 16 7.870 -1.154 12.716 1.00 0.00 H new ATOM 0 HE21 GLN A 16 8.110 -4.393 12.997 1.00 0.00 H new ATOM 0 HE22 GLN A 16 6.789 -4.728 14.121 1.00 0.00 H new ATOM 257 N CYS A 17 6.891 -1.753 7.896 1.00 0.00 N ATOM 258 CA CYS A 17 7.105 -2.457 6.653 1.00 0.00 C ATOM 259 C CYS A 17 7.377 -1.485 5.487 1.00 0.00 C ATOM 260 O CYS A 17 8.108 -1.859 4.583 1.00 0.00 O ATOM 261 CB CYS A 17 5.915 -3.347 6.395 1.00 0.00 C ATOM 262 SG CYS A 17 5.658 -4.548 7.748 1.00 0.00 S ATOM 0 H CYS A 17 5.953 -1.357 7.961 1.00 0.00 H new ATOM 0 HA CYS A 17 7.998 -3.077 6.731 1.00 0.00 H new ATOM 0 HB2 CYS A 17 5.021 -2.734 6.279 1.00 0.00 H new ATOM 0 HB3 CYS A 17 6.058 -3.882 5.456 1.00 0.00 H new ATOM 267 N HIS A 18 6.816 -0.266 5.471 1.00 0.00 N ATOM 268 CA HIS A 18 6.802 0.624 4.304 1.00 0.00 C ATOM 269 C HIS A 18 7.218 2.063 4.639 1.00 0.00 C ATOM 270 O HIS A 18 6.356 2.928 4.787 1.00 0.00 O ATOM 271 CB HIS A 18 5.371 0.679 3.754 1.00 0.00 C ATOM 272 CG HIS A 18 4.873 -0.591 3.138 1.00 0.00 C ATOM 273 ND1 HIS A 18 5.016 -0.910 1.813 1.00 0.00 N ATOM 274 CD2 HIS A 18 3.873 -1.372 3.651 1.00 0.00 C ATOM 275 CE1 HIS A 18 4.136 -1.876 1.536 1.00 0.00 C ATOM 276 NE2 HIS A 18 3.437 -2.223 2.623 1.00 0.00 N ATOM 0 H HIS A 18 6.351 0.135 6.286 1.00 0.00 H new ATOM 0 HA HIS A 18 7.517 0.222 3.586 1.00 0.00 H new ATOM 0 HB2 HIS A 18 4.698 0.958 4.565 1.00 0.00 H new ATOM 0 HB3 HIS A 18 5.317 1.471 3.007 1.00 0.00 H new ATOM 0 HD1 HIS A 18 5.674 -0.487 1.158 1.00 0.00 H new ATOM 0 HD2 HIS A 18 3.490 -1.340 4.660 1.00 0.00 H new ATOM 0 HE1 HIS A 18 4.005 -2.320 0.560 1.00 0.00 H new ATOM 284 N THR A 19 8.507 2.399 4.698 1.00 0.00 N ATOM 285 CA THR A 19 8.902 3.759 5.055 1.00 0.00 C ATOM 286 C THR A 19 8.811 4.732 3.860 1.00 0.00 C ATOM 287 O THR A 19 9.830 5.301 3.448 1.00 0.00 O ATOM 288 CB THR A 19 10.301 3.735 5.684 1.00 0.00 C ATOM 289 OG1 THR A 19 11.248 3.300 4.732 1.00 0.00 O ATOM 290 CG2 THR A 19 10.371 2.837 6.922 1.00 0.00 C ATOM 0 H THR A 19 9.280 1.762 4.507 1.00 0.00 H new ATOM 0 HA THR A 19 8.196 4.142 5.792 1.00 0.00 H new ATOM 0 HB THR A 19 10.527 4.752 6.003 1.00 0.00 H new ATOM 0 HG1 THR A 19 11.227 3.895 3.954 1.00 0.00 H new ATOM 0 HG21 THR A 19 11.382 2.856 7.328 1.00 0.00 H new ATOM 0 HG22 THR A 19 9.671 3.200 7.675 1.00 0.00 H new ATOM 0 HG23 THR A 19 10.110 1.815 6.646 1.00 0.00 H new ATOM 298 N VAL A 20 7.609 4.936 3.306 1.00 0.00 N ATOM 299 CA VAL A 20 7.319 5.918 2.278 1.00 0.00 C ATOM 300 C VAL A 20 6.993 7.263 2.937 1.00 0.00 C ATOM 301 O VAL A 20 5.836 7.602 3.196 1.00 0.00 O ATOM 302 CB VAL A 20 6.237 5.389 1.334 1.00 0.00 C ATOM 303 CG1 VAL A 20 4.852 5.304 1.972 1.00 0.00 C ATOM 304 CG2 VAL A 20 6.202 6.268 0.086 1.00 0.00 C ATOM 0 H VAL A 20 6.787 4.396 3.578 1.00 0.00 H new ATOM 0 HA VAL A 20 8.190 6.094 1.647 1.00 0.00 H new ATOM 0 HB VAL A 20 6.501 4.363 1.077 1.00 0.00 H new ATOM 0 HG11 VAL A 20 4.138 4.921 1.243 1.00 0.00 H new ATOM 0 HG12 VAL A 20 4.888 4.634 2.831 1.00 0.00 H new ATOM 0 HG13 VAL A 20 4.540 6.296 2.298 1.00 0.00 H new ATOM 0 HG21 VAL A 20 5.434 5.902 -0.596 1.00 0.00 H new ATOM 0 HG22 VAL A 20 5.974 7.295 0.371 1.00 0.00 H new ATOM 0 HG23 VAL A 20 7.172 6.236 -0.409 1.00 0.00 H new ATOM 314 N GLU A 21 8.045 8.022 3.234 1.00 0.00 N ATOM 315 CA GLU A 21 7.946 9.356 3.805 1.00 0.00 C ATOM 316 C GLU A 21 9.216 10.106 3.405 1.00 0.00 C ATOM 317 O GLU A 21 9.170 11.190 2.832 1.00 0.00 O ATOM 318 CB GLU A 21 7.786 9.241 5.330 1.00 0.00 C ATOM 319 CG GLU A 21 7.258 10.536 5.962 1.00 0.00 C ATOM 320 CD GLU A 21 7.190 10.445 7.485 1.00 0.00 C ATOM 321 OE1 GLU A 21 7.978 9.650 8.046 1.00 0.00 O ATOM 322 OE2 GLU A 21 6.359 11.178 8.062 1.00 0.00 O ATOM 0 H GLU A 21 9.007 7.718 3.080 1.00 0.00 H new ATOM 0 HA GLU A 21 7.078 9.903 3.437 1.00 0.00 H new ATOM 0 HB2 GLU A 21 7.103 8.423 5.560 1.00 0.00 H new ATOM 0 HB3 GLU A 21 8.748 8.988 5.776 1.00 0.00 H new ATOM 0 HG2 GLU A 21 7.903 11.367 5.677 1.00 0.00 H new ATOM 0 HG3 GLU A 21 6.265 10.753 5.567 1.00 0.00 H new ATOM 329 N LYS A 22 10.358 9.465 3.667 1.00 0.00 N ATOM 330 CA LYS A 22 11.690 9.963 3.373 1.00 0.00 C ATOM 331 C LYS A 22 12.482 8.899 2.606 1.00 0.00 C ATOM 332 O LYS A 22 13.618 8.599 2.962 1.00 0.00 O ATOM 333 CB LYS A 22 12.356 10.360 4.698 1.00 0.00 C ATOM 334 CG LYS A 22 12.178 9.284 5.780 1.00 0.00 C ATOM 335 CD LYS A 22 13.156 9.494 6.938 1.00 0.00 C ATOM 336 CE LYS A 22 12.710 8.631 8.129 1.00 0.00 C ATOM 337 NZ LYS A 22 13.728 8.587 9.198 1.00 0.00 N ATOM 0 H LYS A 22 10.372 8.546 4.109 1.00 0.00 H new ATOM 0 HA LYS A 22 11.652 10.845 2.733 1.00 0.00 H new ATOM 0 HB2 LYS A 22 13.419 10.533 4.531 1.00 0.00 H new ATOM 0 HB3 LYS A 22 11.931 11.300 5.049 1.00 0.00 H new ATOM 0 HG2 LYS A 22 11.155 9.309 6.156 1.00 0.00 H new ATOM 0 HG3 LYS A 22 12.334 8.297 5.344 1.00 0.00 H new ATOM 0 HD2 LYS A 22 14.166 9.221 6.632 1.00 0.00 H new ATOM 0 HD3 LYS A 22 13.182 10.546 7.223 1.00 0.00 H new ATOM 0 HE2 LYS A 22 11.778 9.026 8.533 1.00 0.00 H new ATOM 0 HE3 LYS A 22 12.504 7.618 7.784 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 13.384 7.994 9.980 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 14.610 8.186 8.821 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 13.907 9.550 9.547 1.00 0.00 H new ATOM 351 N GLY A 23 11.858 8.321 1.570 1.00 0.00 N ATOM 352 CA GLY A 23 12.465 7.375 0.634 1.00 0.00 C ATOM 353 C GLY A 23 13.446 6.400 1.289 1.00 0.00 C ATOM 354 O GLY A 23 14.625 6.396 0.944 1.00 0.00 O ATOM 0 H GLY A 23 10.879 8.510 1.356 1.00 0.00 H new ATOM 0 HA2 GLY A 23 11.675 6.806 0.144 1.00 0.00 H new ATOM 0 HA3 GLY A 23 12.986 7.932 -0.144 1.00 0.00 H new ATOM 358 N GLY A 24 12.967 5.593 2.244 1.00 0.00 N ATOM 359 CA GLY A 24 13.832 4.703 3.008 1.00 0.00 C ATOM 360 C GLY A 24 14.164 3.417 2.244 1.00 0.00 C ATOM 361 O GLY A 24 14.681 3.458 1.130 1.00 0.00 O ATOM 0 H GLY A 24 11.981 5.543 2.502 1.00 0.00 H new ATOM 0 HA2 GLY A 24 14.757 5.224 3.257 1.00 0.00 H new ATOM 0 HA3 GLY A 24 13.346 4.448 3.950 1.00 0.00 H new ATOM 365 N LYS A 25 13.891 2.260 2.850 1.00 0.00 N ATOM 366 CA LYS A 25 14.162 0.943 2.284 1.00 0.00 C ATOM 367 C LYS A 25 12.925 0.073 2.476 1.00 0.00 C ATOM 368 O LYS A 25 12.051 0.410 3.270 1.00 0.00 O ATOM 369 CB LYS A 25 15.384 0.314 2.975 1.00 0.00 C ATOM 370 CG LYS A 25 16.711 0.892 2.459 1.00 0.00 C ATOM 371 CD LYS A 25 17.156 0.266 1.128 1.00 0.00 C ATOM 372 CE LYS A 25 17.818 -1.109 1.337 1.00 0.00 C ATOM 373 NZ LYS A 25 18.305 -1.699 0.070 1.00 0.00 N ATOM 0 H LYS A 25 13.463 2.215 3.775 1.00 0.00 H new ATOM 0 HA LYS A 25 14.386 1.028 1.221 1.00 0.00 H new ATOM 0 HB2 LYS A 25 15.314 0.477 4.050 1.00 0.00 H new ATOM 0 HB3 LYS A 25 15.374 -0.764 2.815 1.00 0.00 H new ATOM 0 HG2 LYS A 25 16.608 1.970 2.332 1.00 0.00 H new ATOM 0 HG3 LYS A 25 17.487 0.732 3.208 1.00 0.00 H new ATOM 0 HD2 LYS A 25 16.293 0.158 0.470 1.00 0.00 H new ATOM 0 HD3 LYS A 25 17.857 0.935 0.628 1.00 0.00 H new ATOM 0 HE2 LYS A 25 18.652 -1.006 2.031 1.00 0.00 H new ATOM 0 HE3 LYS A 25 17.101 -1.788 1.799 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 18.742 -2.623 0.263 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 17.506 -1.823 -0.585 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 19.009 -1.066 -0.360 1.00 0.00 H new ATOM 387 N HIS A 26 12.858 -1.036 1.735 1.00 0.00 N ATOM 388 CA HIS A 26 11.688 -1.900 1.749 1.00 0.00 C ATOM 389 C HIS A 26 11.616 -2.644 3.084 1.00 0.00 C ATOM 390 O HIS A 26 10.675 -2.515 3.854 1.00 0.00 O ATOM 391 CB HIS A 26 11.701 -2.900 0.573 1.00 0.00 C ATOM 392 CG HIS A 26 12.501 -2.481 -0.634 1.00 0.00 C ATOM 393 ND1 HIS A 26 13.760 -2.943 -0.950 1.00 0.00 N ATOM 394 CD2 HIS A 26 12.145 -1.564 -1.587 1.00 0.00 C ATOM 395 CE1 HIS A 26 14.158 -2.303 -2.062 1.00 0.00 C ATOM 396 NE2 HIS A 26 13.215 -1.447 -2.478 1.00 0.00 N ATOM 0 H HIS A 26 13.606 -1.352 1.118 1.00 0.00 H new ATOM 0 HA HIS A 26 10.802 -1.275 1.632 1.00 0.00 H new ATOM 0 HB2 HIS A 26 12.093 -3.851 0.933 1.00 0.00 H new ATOM 0 HB3 HIS A 26 10.672 -3.078 0.260 1.00 0.00 H new ATOM 0 HD2 HIS A 26 11.208 -1.029 -1.640 1.00 0.00 H new ATOM 0 HE1 HIS A 26 15.107 -2.457 -2.553 1.00 0.00 H new ATOM 0 HE2 HIS A 26 13.268 -0.830 -3.288 1.00 0.00 H new ATOM 404 N LYS A 27 12.640 -3.458 3.335 1.00 0.00 N ATOM 405 CA LYS A 27 12.812 -4.306 4.513 1.00 0.00 C ATOM 406 C LYS A 27 11.721 -5.383 4.628 1.00 0.00 C ATOM 407 O LYS A 27 12.042 -6.572 4.624 1.00 0.00 O ATOM 408 CB LYS A 27 13.006 -3.450 5.778 1.00 0.00 C ATOM 409 CG LYS A 27 13.671 -4.208 6.941 1.00 0.00 C ATOM 410 CD LYS A 27 12.681 -5.031 7.782 1.00 0.00 C ATOM 411 CE LYS A 27 13.113 -6.502 7.896 1.00 0.00 C ATOM 412 NZ LYS A 27 12.095 -7.314 8.594 1.00 0.00 N ATOM 0 H LYS A 27 13.418 -3.548 2.682 1.00 0.00 H new ATOM 0 HA LYS A 27 13.732 -4.878 4.394 1.00 0.00 H new ATOM 0 HB2 LYS A 27 13.614 -2.580 5.528 1.00 0.00 H new ATOM 0 HB3 LYS A 27 12.036 -3.077 6.106 1.00 0.00 H new ATOM 0 HG2 LYS A 27 14.436 -4.873 6.541 1.00 0.00 H new ATOM 0 HG3 LYS A 27 14.178 -3.492 7.588 1.00 0.00 H new ATOM 0 HD2 LYS A 27 12.603 -4.597 8.779 1.00 0.00 H new ATOM 0 HD3 LYS A 27 11.690 -4.977 7.332 1.00 0.00 H new ATOM 0 HE2 LYS A 27 13.285 -6.910 6.900 1.00 0.00 H new ATOM 0 HE3 LYS A 27 14.060 -6.564 8.433 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 12.395 -8.310 8.609 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 11.986 -6.971 9.570 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 11.186 -7.234 8.096 1.00 0.00 H new ATOM 426 N THR A 28 10.443 -5.012 4.764 1.00 0.00 N ATOM 427 CA THR A 28 9.322 -5.954 4.735 1.00 0.00 C ATOM 428 C THR A 28 8.074 -5.358 4.064 1.00 0.00 C ATOM 429 O THR A 28 6.990 -5.903 4.235 1.00 0.00 O ATOM 430 CB THR A 28 9.073 -6.531 6.149 1.00 0.00 C ATOM 431 OG1 THR A 28 10.310 -6.985 6.667 1.00 0.00 O ATOM 432 CG2 THR A 28 8.165 -7.767 6.195 1.00 0.00 C ATOM 0 H THR A 28 10.157 -4.042 4.898 1.00 0.00 H new ATOM 0 HA THR A 28 9.588 -6.797 4.098 1.00 0.00 H new ATOM 0 HB THR A 28 8.598 -5.723 6.705 1.00 0.00 H new ATOM 0 HG1 THR A 28 10.307 -7.964 6.709 1.00 0.00 H new ATOM 0 HG21 THR A 28 8.051 -8.097 7.228 1.00 0.00 H new ATOM 0 HG22 THR A 28 7.187 -7.516 5.784 1.00 0.00 H new ATOM 0 HG23 THR A 28 8.611 -8.568 5.606 1.00 0.00 H new ATOM 440 N GLY A 29 8.205 -4.316 3.238 1.00 0.00 N ATOM 441 CA GLY A 29 7.122 -3.807 2.404 1.00 0.00 C ATOM 442 C GLY A 29 7.737 -2.844 1.388 1.00 0.00 C ATOM 443 O GLY A 29 8.645 -2.109 1.758 1.00 0.00 O ATOM 0 H GLY A 29 9.078 -3.799 3.131 1.00 0.00 H new ATOM 0 HA2 GLY A 29 6.612 -4.626 1.896 1.00 0.00 H new ATOM 0 HA3 GLY A 29 6.376 -3.296 3.013 1.00 0.00 H new ATOM 447 N PRO A 30 7.363 -2.850 0.098 1.00 0.00 N ATOM 448 CA PRO A 30 7.994 -1.955 -0.862 1.00 0.00 C ATOM 449 C PRO A 30 7.818 -0.487 -0.465 1.00 0.00 C ATOM 450 O PRO A 30 6.716 -0.059 -0.140 1.00 0.00 O ATOM 451 CB PRO A 30 7.334 -2.228 -2.213 1.00 0.00 C ATOM 452 CG PRO A 30 6.687 -3.600 -2.050 1.00 0.00 C ATOM 453 CD PRO A 30 6.402 -3.723 -0.555 1.00 0.00 C ATOM 0 HA PRO A 30 9.068 -2.137 -0.900 1.00 0.00 H new ATOM 0 HB2 PRO A 30 6.593 -1.466 -2.454 1.00 0.00 H new ATOM 0 HB3 PRO A 30 8.066 -2.228 -3.020 1.00 0.00 H new ATOM 0 HG2 PRO A 30 5.770 -3.677 -2.635 1.00 0.00 H new ATOM 0 HG3 PRO A 30 7.351 -4.394 -2.392 1.00 0.00 H new ATOM 0 HD2 PRO A 30 5.380 -3.423 -0.325 1.00 0.00 H new ATOM 0 HD3 PRO A 30 6.515 -4.753 -0.218 1.00 0.00 H new ATOM 461 N ASN A 31 8.884 0.314 -0.511 1.00 0.00 N ATOM 462 CA ASN A 31 8.726 1.765 -0.500 1.00 0.00 C ATOM 463 C ASN A 31 7.744 2.188 -1.608 1.00 0.00 C ATOM 464 O ASN A 31 8.038 1.981 -2.784 1.00 0.00 O ATOM 465 CB ASN A 31 10.088 2.433 -0.700 1.00 0.00 C ATOM 466 CG ASN A 31 9.974 3.936 -0.484 1.00 0.00 C ATOM 467 OD1 ASN A 31 9.668 4.691 -1.400 1.00 0.00 O ATOM 468 ND2 ASN A 31 10.204 4.385 0.744 1.00 0.00 N ATOM 0 H ASN A 31 9.849 -0.012 -0.555 1.00 0.00 H new ATOM 0 HA ASN A 31 8.322 2.082 0.461 1.00 0.00 H new ATOM 0 HB2 ASN A 31 10.813 2.012 -0.003 1.00 0.00 H new ATOM 0 HB3 ASN A 31 10.457 2.230 -1.705 1.00 0.00 H new ATOM 0 HD21 ASN A 31 10.128 5.382 0.945 1.00 0.00 H new ATOM 0 HD22 ASN A 31 10.457 3.733 1.486 1.00 0.00 H new ATOM 475 N LEU A 32 6.579 2.739 -1.242 1.00 0.00 N ATOM 476 CA LEU A 32 5.444 2.963 -2.142 1.00 0.00 C ATOM 477 C LEU A 32 5.671 4.167 -3.069 1.00 0.00 C ATOM 478 O LEU A 32 4.865 5.098 -3.105 1.00 0.00 O ATOM 479 CB LEU A 32 4.151 3.152 -1.323 1.00 0.00 C ATOM 480 CG LEU A 32 3.858 2.067 -0.275 1.00 0.00 C ATOM 481 CD1 LEU A 32 2.593 2.402 0.522 1.00 0.00 C ATOM 482 CD2 LEU A 32 3.656 0.717 -0.954 1.00 0.00 C ATOM 0 H LEU A 32 6.397 3.048 -0.287 1.00 0.00 H new ATOM 0 HA LEU A 32 5.346 2.082 -2.776 1.00 0.00 H new ATOM 0 HB2 LEU A 32 4.202 4.116 -0.816 1.00 0.00 H new ATOM 0 HB3 LEU A 32 3.309 3.200 -2.014 1.00 0.00 H new ATOM 0 HG LEU A 32 4.712 2.023 0.401 1.00 0.00 H new ATOM 0 HD11 LEU A 32 2.408 1.619 1.257 1.00 0.00 H new ATOM 0 HD12 LEU A 32 2.727 3.355 1.034 1.00 0.00 H new ATOM 0 HD13 LEU A 32 1.743 2.471 -0.157 1.00 0.00 H new ATOM 0 HD21 LEU A 32 3.449 -0.042 -0.200 1.00 0.00 H new ATOM 0 HD22 LEU A 32 2.816 0.780 -1.646 1.00 0.00 H new ATOM 0 HD23 LEU A 32 4.558 0.447 -1.503 1.00 0.00 H new ATOM 494 N HIS A 33 6.761 4.164 -3.836 1.00 0.00 N ATOM 495 CA HIS A 33 7.208 5.305 -4.621 1.00 0.00 C ATOM 496 C HIS A 33 6.405 5.416 -5.924 1.00 0.00 C ATOM 497 O HIS A 33 6.960 5.304 -7.015 1.00 0.00 O ATOM 498 CB HIS A 33 8.723 5.175 -4.852 1.00 0.00 C ATOM 499 CG HIS A 33 9.454 6.469 -5.123 1.00 0.00 C ATOM 500 ND1 HIS A 33 10.733 6.756 -4.704 1.00 0.00 N ATOM 501 CD2 HIS A 33 8.989 7.566 -5.802 1.00 0.00 C ATOM 502 CE1 HIS A 33 11.032 7.996 -5.126 1.00 0.00 C ATOM 503 NE2 HIS A 33 10.003 8.530 -5.801 1.00 0.00 N ATOM 0 H HIS A 33 7.368 3.349 -3.928 1.00 0.00 H new ATOM 0 HA HIS A 33 7.027 6.236 -4.083 1.00 0.00 H new ATOM 0 HB2 HIS A 33 9.167 4.704 -3.975 1.00 0.00 H new ATOM 0 HB3 HIS A 33 8.888 4.502 -5.693 1.00 0.00 H new ATOM 0 HD2 HIS A 33 8.014 7.668 -6.256 1.00 0.00 H new ATOM 0 HE1 HIS A 33 11.973 8.495 -4.946 1.00 0.00 H new ATOM 0 HE2 HIS A 33 9.967 9.455 -6.229 1.00 0.00 H new ATOM 511 N GLY A 34 5.095 5.653 -5.815 1.00 0.00 N ATOM 512 CA GLY A 34 4.237 5.939 -6.955 1.00 0.00 C ATOM 513 C GLY A 34 2.824 5.412 -6.740 1.00 0.00 C ATOM 514 O GLY A 34 1.916 6.185 -6.454 1.00 0.00 O ATOM 0 H GLY A 34 4.601 5.650 -4.923 1.00 0.00 H new ATOM 0 HA2 GLY A 34 4.203 7.015 -7.124 1.00 0.00 H new ATOM 0 HA3 GLY A 34 4.661 5.489 -7.852 1.00 0.00 H new ATOM 518 N LEU A 35 2.635 4.097 -6.893 1.00 0.00 N ATOM 519 CA LEU A 35 1.352 3.407 -6.922 1.00 0.00 C ATOM 520 C LEU A 35 0.460 3.909 -8.069 1.00 0.00 C ATOM 521 O LEU A 35 0.267 3.237 -9.083 1.00 0.00 O ATOM 522 CB LEU A 35 0.643 3.548 -5.570 1.00 0.00 C ATOM 523 CG LEU A 35 1.339 2.876 -4.383 1.00 0.00 C ATOM 524 CD1 LEU A 35 0.693 3.404 -3.096 1.00 0.00 C ATOM 525 CD2 LEU A 35 1.185 1.356 -4.441 1.00 0.00 C ATOM 0 H LEU A 35 3.420 3.455 -7.006 1.00 0.00 H new ATOM 0 HA LEU A 35 1.544 2.350 -7.106 1.00 0.00 H new ATOM 0 HB2 LEU A 35 0.530 4.609 -5.348 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -0.361 3.133 -5.662 1.00 0.00 H new ATOM 0 HG LEU A 35 2.404 3.106 -4.411 1.00 0.00 H new ATOM 0 HD11 LEU A 35 1.171 2.941 -2.233 1.00 0.00 H new ATOM 0 HD12 LEU A 35 0.818 4.485 -3.043 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -0.370 3.161 -3.096 1.00 0.00 H new ATOM 0 HD21 LEU A 35 1.689 0.906 -3.586 1.00 0.00 H new ATOM 0 HD22 LEU A 35 0.127 1.096 -4.416 1.00 0.00 H new ATOM 0 HD23 LEU A 35 1.629 0.980 -5.363 1.00 0.00 H new ATOM 537 N PHE A 36 -0.099 5.102 -7.885 1.00 0.00 N ATOM 538 CA PHE A 36 -1.124 5.680 -8.727 1.00 0.00 C ATOM 539 C PHE A 36 -0.576 5.886 -10.136 1.00 0.00 C ATOM 540 O PHE A 36 0.393 6.611 -10.339 1.00 0.00 O ATOM 541 CB PHE A 36 -1.635 6.971 -8.079 1.00 0.00 C ATOM 542 CG PHE A 36 -2.372 6.718 -6.772 1.00 0.00 C ATOM 543 CD1 PHE A 36 -3.741 6.397 -6.796 1.00 0.00 C ATOM 544 CD2 PHE A 36 -1.662 6.613 -5.561 1.00 0.00 C ATOM 545 CE1 PHE A 36 -4.395 6.004 -5.616 1.00 0.00 C ATOM 546 CE2 PHE A 36 -2.315 6.193 -4.389 1.00 0.00 C ATOM 547 CZ PHE A 36 -3.696 5.940 -4.402 1.00 0.00 C ATOM 0 H PHE A 36 0.166 5.712 -7.111 1.00 0.00 H new ATOM 0 HA PHE A 36 -1.977 5.008 -8.822 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -0.793 7.638 -7.894 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -2.301 7.483 -8.774 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -4.291 6.453 -7.724 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -0.610 6.856 -5.532 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -5.444 5.749 -5.644 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -1.753 6.065 -3.476 1.00 0.00 H new ATOM 0 HZ PHE A 36 -4.215 5.698 -3.486 1.00 0.00 H new ATOM 557 N GLY A 37 -1.194 5.216 -11.111 1.00 0.00 N ATOM 558 CA GLY A 37 -0.784 5.296 -12.505 1.00 0.00 C ATOM 559 C GLY A 37 0.453 4.449 -12.818 1.00 0.00 C ATOM 560 O GLY A 37 1.040 4.617 -13.885 1.00 0.00 O ATOM 0 H GLY A 37 -1.993 4.603 -10.951 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -1.609 4.971 -13.139 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -0.578 6.336 -12.758 1.00 0.00 H new ATOM 564 N ARG A 38 0.839 3.517 -11.936 1.00 0.00 N ATOM 565 CA ARG A 38 1.941 2.599 -12.167 1.00 0.00 C ATOM 566 C ARG A 38 1.391 1.171 -12.101 1.00 0.00 C ATOM 567 O ARG A 38 0.799 0.774 -11.097 1.00 0.00 O ATOM 568 CB ARG A 38 3.015 2.863 -11.104 1.00 0.00 C ATOM 569 CG ARG A 38 4.336 2.121 -11.347 1.00 0.00 C ATOM 570 CD ARG A 38 5.307 2.852 -12.290 1.00 0.00 C ATOM 571 NE ARG A 38 5.009 2.629 -13.715 1.00 0.00 N ATOM 572 CZ ARG A 38 5.593 3.292 -14.730 1.00 0.00 C ATOM 573 NH1 ARG A 38 6.469 4.271 -14.479 1.00 0.00 N ATOM 574 NH2 ARG A 38 5.308 2.967 -15.998 1.00 0.00 N ATOM 0 H ARG A 38 0.383 3.385 -11.033 1.00 0.00 H new ATOM 0 HA ARG A 38 2.398 2.739 -13.147 1.00 0.00 H new ATOM 0 HB2 ARG A 38 3.215 3.934 -11.064 1.00 0.00 H new ATOM 0 HB3 ARG A 38 2.623 2.575 -10.128 1.00 0.00 H new ATOM 0 HG2 ARG A 38 4.830 1.960 -10.389 1.00 0.00 H new ATOM 0 HG3 ARG A 38 4.116 1.137 -11.762 1.00 0.00 H new ATOM 0 HD2 ARG A 38 5.271 3.921 -12.081 1.00 0.00 H new ATOM 0 HD3 ARG A 38 6.324 2.521 -12.082 1.00 0.00 H new ATOM 0 HE ARG A 38 4.311 1.923 -13.949 1.00 0.00 H new ATOM 0 HH11 ARG A 38 6.696 4.517 -13.516 1.00 0.00 H new ATOM 0 HH12 ARG A 38 6.910 4.771 -15.251 1.00 0.00 H new ATOM 0 HH21 ARG A 38 4.647 2.216 -16.196 1.00 0.00 H new ATOM 0 HH22 ARG A 38 5.752 3.471 -16.766 1.00 0.00 H new ATOM 588 N LYS A 39 1.570 0.397 -13.177 1.00 0.00 N ATOM 589 CA LYS A 39 1.313 -1.036 -13.157 1.00 0.00 C ATOM 590 C LYS A 39 2.353 -1.705 -12.260 1.00 0.00 C ATOM 591 O LYS A 39 3.531 -1.361 -12.336 1.00 0.00 O ATOM 592 CB LYS A 39 1.323 -1.601 -14.586 1.00 0.00 C ATOM 593 CG LYS A 39 0.094 -1.100 -15.362 1.00 0.00 C ATOM 594 CD LYS A 39 0.413 -0.250 -16.600 1.00 0.00 C ATOM 595 CE LYS A 39 0.870 -1.109 -17.789 1.00 0.00 C ATOM 596 NZ LYS A 39 0.967 -0.318 -19.035 1.00 0.00 N ATOM 0 H LYS A 39 1.895 0.749 -14.078 1.00 0.00 H new ATOM 0 HA LYS A 39 0.323 -1.241 -12.749 1.00 0.00 H new ATOM 0 HB2 LYS A 39 2.235 -1.297 -15.099 1.00 0.00 H new ATOM 0 HB3 LYS A 39 1.323 -2.691 -14.554 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -0.497 -1.961 -15.673 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -0.529 -0.513 -14.687 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -0.471 0.321 -16.884 1.00 0.00 H new ATOM 0 HD3 LYS A 39 1.193 0.471 -16.353 1.00 0.00 H new ATOM 0 HE2 LYS A 39 1.840 -1.553 -17.565 1.00 0.00 H new ATOM 0 HE3 LYS A 39 0.169 -1.931 -17.934 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 1.278 -0.933 -19.814 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 0.036 0.085 -19.263 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 1.655 0.451 -18.905 1.00 0.00 H new ATOM 610 N THR A 40 1.907 -2.610 -11.386 1.00 0.00 N ATOM 611 CA THR A 40 2.765 -3.255 -10.404 1.00 0.00 C ATOM 612 C THR A 40 3.333 -4.540 -11.000 1.00 0.00 C ATOM 613 O THR A 40 3.565 -4.637 -12.204 1.00 0.00 O ATOM 614 CB THR A 40 1.972 -3.441 -9.102 1.00 0.00 C ATOM 615 OG1 THR A 40 2.811 -3.638 -7.978 1.00 0.00 O ATOM 616 CG2 THR A 40 0.944 -4.577 -9.096 1.00 0.00 C ATOM 0 H THR A 40 0.934 -2.914 -11.344 1.00 0.00 H new ATOM 0 HA THR A 40 3.630 -2.643 -10.147 1.00 0.00 H new ATOM 0 HB THR A 40 1.429 -2.498 -9.040 1.00 0.00 H new ATOM 0 HG1 THR A 40 3.749 -3.561 -8.252 1.00 0.00 H new ATOM 0 HG21 THR A 40 0.447 -4.612 -8.127 1.00 0.00 H new ATOM 0 HG22 THR A 40 0.204 -4.402 -9.877 1.00 0.00 H new ATOM 0 HG23 THR A 40 1.449 -5.525 -9.280 1.00 0.00 H new ATOM 624 N GLY A 41 3.512 -5.547 -10.151 1.00 0.00 N ATOM 625 CA GLY A 41 4.042 -6.838 -10.538 1.00 0.00 C ATOM 626 C GLY A 41 5.476 -6.691 -11.052 1.00 0.00 C ATOM 627 O GLY A 41 5.860 -7.331 -12.029 1.00 0.00 O ATOM 0 H GLY A 41 3.287 -5.482 -9.158 1.00 0.00 H new ATOM 0 HA2 GLY A 41 4.022 -7.517 -9.686 1.00 0.00 H new ATOM 0 HA3 GLY A 41 3.414 -7.279 -11.312 1.00 0.00 H new ATOM 631 N GLN A 42 6.265 -5.827 -10.402 1.00 0.00 N ATOM 632 CA GLN A 42 7.547 -5.360 -10.882 1.00 0.00 C ATOM 633 C GLN A 42 8.109 -4.440 -9.800 1.00 0.00 C ATOM 634 O GLN A 42 7.509 -3.417 -9.476 1.00 0.00 O ATOM 635 CB GLN A 42 7.381 -4.570 -12.194 1.00 0.00 C ATOM 636 CG GLN A 42 8.746 -4.171 -12.776 1.00 0.00 C ATOM 637 CD GLN A 42 8.631 -3.209 -13.957 1.00 0.00 C ATOM 638 OE1 GLN A 42 7.649 -2.490 -14.106 1.00 0.00 O ATOM 639 NE2 GLN A 42 9.651 -3.170 -14.809 1.00 0.00 N ATOM 0 H GLN A 42 6.009 -5.428 -9.499 1.00 0.00 H new ATOM 0 HA GLN A 42 8.211 -6.201 -11.082 1.00 0.00 H new ATOM 0 HB2 GLN A 42 6.835 -5.174 -12.919 1.00 0.00 H new ATOM 0 HB3 GLN A 42 6.785 -3.676 -12.011 1.00 0.00 H new ATOM 0 HG2 GLN A 42 9.347 -3.708 -11.994 1.00 0.00 H new ATOM 0 HG3 GLN A 42 9.275 -5.069 -13.095 1.00 0.00 H new ATOM 0 HE21 GLN A 42 10.458 -3.777 -14.666 1.00 0.00 H new ATOM 0 HE22 GLN A 42 9.626 -2.533 -15.605 1.00 0.00 H new ATOM 648 N ALA A 43 9.257 -4.792 -9.236 1.00 0.00 N ATOM 649 CA ALA A 43 10.124 -3.842 -8.548 1.00 0.00 C ATOM 650 C ALA A 43 11.577 -4.309 -8.644 1.00 0.00 C ATOM 651 O ALA A 43 11.817 -5.513 -8.667 1.00 0.00 O ATOM 652 CB ALA A 43 9.697 -3.696 -7.088 1.00 0.00 C ATOM 0 H ALA A 43 9.615 -5.747 -9.242 1.00 0.00 H new ATOM 0 HA ALA A 43 10.037 -2.866 -9.025 1.00 0.00 H new ATOM 0 HB1 ALA A 43 10.353 -2.984 -6.587 1.00 0.00 H new ATOM 0 HB2 ALA A 43 8.669 -3.336 -7.044 1.00 0.00 H new ATOM 0 HB3 ALA A 43 9.764 -4.664 -6.591 1.00 0.00 H new ATOM 658 N PRO A 44 12.559 -3.400 -8.701 1.00 0.00 N ATOM 659 CA PRO A 44 13.955 -3.787 -8.652 1.00 0.00 C ATOM 660 C PRO A 44 14.287 -4.338 -7.261 1.00 0.00 C ATOM 661 O PRO A 44 13.746 -3.882 -6.254 1.00 0.00 O ATOM 662 CB PRO A 44 14.736 -2.512 -8.977 1.00 0.00 C ATOM 663 CG PRO A 44 13.811 -1.397 -8.485 1.00 0.00 C ATOM 664 CD PRO A 44 12.412 -1.956 -8.749 1.00 0.00 C ATOM 0 HA PRO A 44 14.207 -4.578 -9.358 1.00 0.00 H new ATOM 0 HB2 PRO A 44 15.699 -2.490 -8.467 1.00 0.00 H new ATOM 0 HB3 PRO A 44 14.938 -2.425 -10.045 1.00 0.00 H new ATOM 0 HG2 PRO A 44 13.966 -1.184 -7.427 1.00 0.00 H new ATOM 0 HG3 PRO A 44 13.981 -0.466 -9.026 1.00 0.00 H new ATOM 0 HD2 PRO A 44 11.702 -1.608 -7.999 1.00 0.00 H new ATOM 0 HD3 PRO A 44 12.036 -1.631 -9.719 1.00 0.00 H new ATOM 672 N GLY A 45 15.175 -5.333 -7.197 1.00 0.00 N ATOM 673 CA GLY A 45 15.634 -5.920 -5.947 1.00 0.00 C ATOM 674 C GLY A 45 14.571 -6.813 -5.303 1.00 0.00 C ATOM 675 O GLY A 45 14.737 -8.028 -5.248 1.00 0.00 O ATOM 0 H GLY A 45 15.597 -5.755 -8.024 1.00 0.00 H new ATOM 0 HA2 GLY A 45 16.535 -6.506 -6.132 1.00 0.00 H new ATOM 0 HA3 GLY A 45 15.907 -5.125 -5.253 1.00 0.00 H new ATOM 679 N PHE A 46 13.496 -6.208 -4.792 1.00 0.00 N ATOM 680 CA PHE A 46 12.442 -6.884 -4.045 1.00 0.00 C ATOM 681 C PHE A 46 11.116 -6.738 -4.790 1.00 0.00 C ATOM 682 O PHE A 46 10.293 -5.893 -4.450 1.00 0.00 O ATOM 683 CB PHE A 46 12.372 -6.300 -2.625 1.00 0.00 C ATOM 684 CG PHE A 46 11.172 -6.730 -1.795 1.00 0.00 C ATOM 685 CD1 PHE A 46 10.793 -8.088 -1.714 1.00 0.00 C ATOM 686 CD2 PHE A 46 10.336 -5.746 -1.234 1.00 0.00 C ATOM 687 CE1 PHE A 46 9.604 -8.445 -1.054 1.00 0.00 C ATOM 688 CE2 PHE A 46 9.192 -6.119 -0.514 1.00 0.00 C ATOM 689 CZ PHE A 46 8.842 -7.470 -0.399 1.00 0.00 C ATOM 0 H PHE A 46 13.334 -5.206 -4.891 1.00 0.00 H new ATOM 0 HA PHE A 46 12.658 -7.949 -3.959 1.00 0.00 H new ATOM 0 HB2 PHE A 46 13.280 -6.581 -2.091 1.00 0.00 H new ATOM 0 HB3 PHE A 46 12.369 -5.212 -2.699 1.00 0.00 H new ATOM 0 HD1 PHE A 46 11.415 -8.851 -2.158 1.00 0.00 H new ATOM 0 HD2 PHE A 46 10.577 -4.701 -1.359 1.00 0.00 H new ATOM 0 HE1 PHE A 46 9.277 -9.474 -1.052 1.00 0.00 H new ATOM 0 HE2 PHE A 46 8.579 -5.362 -0.047 1.00 0.00 H new ATOM 0 HZ PHE A 46 7.987 -7.759 0.193 1.00 0.00 H new ATOM 699 N THR A 47 10.873 -7.596 -5.783 1.00 0.00 N ATOM 700 CA THR A 47 9.617 -7.572 -6.528 1.00 0.00 C ATOM 701 C THR A 47 8.501 -8.325 -5.799 1.00 0.00 C ATOM 702 O THR A 47 7.666 -8.960 -6.435 1.00 0.00 O ATOM 703 CB THR A 47 9.841 -8.014 -7.981 1.00 0.00 C ATOM 704 OG1 THR A 47 8.798 -7.519 -8.805 1.00 0.00 O ATOM 705 CG2 THR A 47 10.036 -9.521 -8.146 1.00 0.00 C ATOM 0 H THR A 47 11.530 -8.314 -6.088 1.00 0.00 H new ATOM 0 HA THR A 47 9.259 -6.544 -6.579 1.00 0.00 H new ATOM 0 HB THR A 47 10.786 -7.577 -8.304 1.00 0.00 H new ATOM 0 HG1 THR A 47 7.931 -7.760 -8.416 1.00 0.00 H new ATOM 0 HG21 THR A 47 10.188 -9.755 -9.200 1.00 0.00 H new ATOM 0 HG22 THR A 47 10.907 -9.840 -7.574 1.00 0.00 H new ATOM 0 HG23 THR A 47 9.152 -10.044 -7.782 1.00 0.00 H new ATOM 713 N TYR A 48 8.429 -8.188 -4.474 1.00 0.00 N ATOM 714 CA TYR A 48 7.365 -8.770 -3.671 1.00 0.00 C ATOM 715 C TYR A 48 7.451 -10.304 -3.689 1.00 0.00 C ATOM 716 O TYR A 48 8.424 -10.881 -4.172 1.00 0.00 O ATOM 717 CB TYR A 48 5.979 -8.279 -4.133 1.00 0.00 C ATOM 718 CG TYR A 48 5.879 -6.990 -4.929 1.00 0.00 C ATOM 719 CD1 TYR A 48 6.649 -5.856 -4.616 1.00 0.00 C ATOM 720 CD2 TYR A 48 5.049 -6.964 -6.058 1.00 0.00 C ATOM 721 CE1 TYR A 48 6.622 -4.732 -5.461 1.00 0.00 C ATOM 722 CE2 TYR A 48 4.946 -5.809 -6.837 1.00 0.00 C ATOM 723 CZ TYR A 48 5.738 -4.692 -6.554 1.00 0.00 C ATOM 724 OH TYR A 48 5.748 -3.663 -7.449 1.00 0.00 O ATOM 0 H TYR A 48 9.115 -7.665 -3.929 1.00 0.00 H new ATOM 0 HA TYR A 48 7.498 -8.437 -2.642 1.00 0.00 H new ATOM 0 HB2 TYR A 48 5.533 -9.072 -4.734 1.00 0.00 H new ATOM 0 HB3 TYR A 48 5.358 -8.165 -3.245 1.00 0.00 H new ATOM 0 HD1 TYR A 48 7.261 -5.848 -3.726 1.00 0.00 H new ATOM 0 HD2 TYR A 48 4.484 -7.844 -6.328 1.00 0.00 H new ATOM 0 HE1 TYR A 48 7.281 -3.898 -5.270 1.00 0.00 H new ATOM 0 HE2 TYR A 48 4.251 -5.779 -7.663 1.00 0.00 H new ATOM 0 HH TYR A 48 6.551 -3.723 -8.008 1.00 0.00 H new ATOM 734 N THR A 49 6.417 -10.971 -3.175 1.00 0.00 N ATOM 735 CA THR A 49 6.162 -12.377 -3.419 1.00 0.00 C ATOM 736 C THR A 49 5.548 -12.543 -4.806 1.00 0.00 C ATOM 737 O THR A 49 4.757 -11.696 -5.206 1.00 0.00 O ATOM 738 CB THR A 49 5.174 -12.892 -2.360 1.00 0.00 C ATOM 739 OG1 THR A 49 4.521 -11.824 -1.686 1.00 0.00 O ATOM 740 CG2 THR A 49 5.941 -13.635 -1.278 1.00 0.00 C ATOM 0 H THR A 49 5.725 -10.534 -2.567 1.00 0.00 H new ATOM 0 HA THR A 49 7.093 -12.941 -3.364 1.00 0.00 H new ATOM 0 HB THR A 49 4.451 -13.519 -2.882 1.00 0.00 H new ATOM 0 HG1 THR A 49 3.805 -11.468 -2.253 1.00 0.00 H new ATOM 0 HG21 THR A 49 5.244 -14.002 -0.525 1.00 0.00 H new ATOM 0 HG22 THR A 49 6.472 -14.477 -1.722 1.00 0.00 H new ATOM 0 HG23 THR A 49 6.658 -12.959 -0.811 1.00 0.00 H new ATOM 748 N ASP A 50 5.856 -13.661 -5.470 1.00 0.00 N ATOM 749 CA ASP A 50 5.162 -14.254 -6.621 1.00 0.00 C ATOM 750 C ASP A 50 3.689 -13.859 -6.687 1.00 0.00 C ATOM 751 O ASP A 50 3.217 -13.440 -7.734 1.00 0.00 O ATOM 752 CB ASP A 50 5.321 -15.781 -6.559 1.00 0.00 C ATOM 753 CG ASP A 50 4.597 -16.425 -5.379 1.00 0.00 C ATOM 754 OD1 ASP A 50 4.511 -15.750 -4.326 1.00 0.00 O ATOM 755 OD2 ASP A 50 4.128 -17.566 -5.560 1.00 0.00 O ATOM 0 H ASP A 50 6.663 -14.222 -5.195 1.00 0.00 H new ATOM 0 HA ASP A 50 5.617 -13.867 -7.533 1.00 0.00 H new ATOM 0 HB2 ASP A 50 4.945 -16.215 -7.486 1.00 0.00 H new ATOM 0 HB3 ASP A 50 6.382 -16.025 -6.500 1.00 0.00 H new ATOM 760 N ALA A 51 2.964 -13.962 -5.580 1.00 0.00 N ATOM 761 CA ALA A 51 1.545 -13.661 -5.521 1.00 0.00 C ATOM 762 C ALA A 51 1.243 -12.239 -5.989 1.00 0.00 C ATOM 763 O ALA A 51 0.333 -12.044 -6.795 1.00 0.00 O ATOM 764 CB ALA A 51 1.039 -13.924 -4.103 1.00 0.00 C ATOM 0 H ALA A 51 3.354 -14.262 -4.686 1.00 0.00 H new ATOM 0 HA ALA A 51 1.012 -14.316 -6.210 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -0.026 -13.700 -4.050 1.00 0.00 H new ATOM 0 HB2 ALA A 51 1.203 -14.970 -3.846 1.00 0.00 H new ATOM 0 HB3 ALA A 51 1.579 -13.289 -3.400 1.00 0.00 H new ATOM 770 N ASN A 52 1.999 -11.246 -5.510 1.00 0.00 N ATOM 771 CA ASN A 52 1.785 -9.868 -5.957 1.00 0.00 C ATOM 772 C ASN A 52 2.573 -9.593 -7.241 1.00 0.00 C ATOM 773 O ASN A 52 2.088 -8.911 -8.139 1.00 0.00 O ATOM 774 CB ASN A 52 2.081 -8.870 -4.834 1.00 0.00 C ATOM 775 CG ASN A 52 1.498 -7.478 -5.099 1.00 0.00 C ATOM 776 OD1 ASN A 52 1.177 -7.108 -6.224 1.00 0.00 O ATOM 777 ND2 ASN A 52 1.307 -6.691 -4.049 1.00 0.00 N ATOM 0 H ASN A 52 2.748 -11.366 -4.828 1.00 0.00 H new ATOM 0 HA ASN A 52 0.732 -9.733 -6.204 1.00 0.00 H new ATOM 0 HB2 ASN A 52 1.676 -9.255 -3.898 1.00 0.00 H new ATOM 0 HB3 ASN A 52 3.160 -8.787 -4.705 1.00 0.00 H new ATOM 0 HD21 ASN A 52 0.890 -5.768 -4.172 1.00 0.00 H new ATOM 0 HD22 ASN A 52 1.577 -7.008 -3.118 1.00 0.00 H new ATOM 784 N LYS A 53 3.762 -10.186 -7.387 1.00 0.00 N ATOM 785 CA LYS A 53 4.553 -10.100 -8.610 1.00 0.00 C ATOM 786 C LYS A 53 3.674 -10.481 -9.803 1.00 0.00 C ATOM 787 O LYS A 53 3.718 -9.857 -10.860 1.00 0.00 O ATOM 788 CB LYS A 53 5.782 -11.012 -8.503 1.00 0.00 C ATOM 789 CG LYS A 53 6.470 -11.367 -9.832 1.00 0.00 C ATOM 790 CD LYS A 53 6.951 -10.125 -10.599 1.00 0.00 C ATOM 791 CE LYS A 53 7.274 -10.434 -12.066 1.00 0.00 C ATOM 792 NZ LYS A 53 8.409 -11.368 -12.209 1.00 0.00 N ATOM 0 H LYS A 53 4.202 -10.742 -6.653 1.00 0.00 H new ATOM 0 HA LYS A 53 4.910 -9.080 -8.755 1.00 0.00 H new ATOM 0 HB2 LYS A 53 6.513 -10.530 -7.854 1.00 0.00 H new ATOM 0 HB3 LYS A 53 5.482 -11.938 -8.012 1.00 0.00 H new ATOM 0 HG2 LYS A 53 7.321 -12.019 -9.634 1.00 0.00 H new ATOM 0 HG3 LYS A 53 5.776 -11.929 -10.457 1.00 0.00 H new ATOM 0 HD2 LYS A 53 6.183 -9.353 -10.554 1.00 0.00 H new ATOM 0 HD3 LYS A 53 7.838 -9.721 -10.112 1.00 0.00 H new ATOM 0 HE2 LYS A 53 6.394 -10.860 -12.547 1.00 0.00 H new ATOM 0 HE3 LYS A 53 7.504 -9.505 -12.588 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 8.588 -11.545 -13.218 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 9.258 -10.952 -11.775 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 8.182 -12.265 -11.735 1.00 0.00 H new ATOM 806 N ASN A 54 2.878 -11.530 -9.618 1.00 0.00 N ATOM 807 CA ASN A 54 2.032 -12.097 -10.641 1.00 0.00 C ATOM 808 C ASN A 54 0.876 -11.151 -10.999 1.00 0.00 C ATOM 809 O ASN A 54 0.256 -11.315 -12.045 1.00 0.00 O ATOM 810 CB ASN A 54 1.498 -13.458 -10.178 1.00 0.00 C ATOM 811 CG ASN A 54 0.655 -14.141 -11.251 1.00 0.00 C ATOM 812 OD1 ASN A 54 1.080 -14.273 -12.393 1.00 0.00 O ATOM 813 ND2 ASN A 54 -0.537 -14.609 -10.891 1.00 0.00 N ATOM 0 H ASN A 54 2.808 -12.016 -8.724 1.00 0.00 H new ATOM 0 HA ASN A 54 2.629 -12.237 -11.542 1.00 0.00 H new ATOM 0 HB2 ASN A 54 2.335 -14.103 -9.911 1.00 0.00 H new ATOM 0 HB3 ASN A 54 0.898 -13.324 -9.278 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -1.122 -15.092 -11.573 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -0.866 -14.485 -9.933 1.00 0.00 H new ATOM 820 N LYS A 55 0.521 -10.194 -10.126 1.00 0.00 N ATOM 821 CA LYS A 55 -0.704 -9.432 -10.306 1.00 0.00 C ATOM 822 C LYS A 55 -0.695 -8.568 -11.562 1.00 0.00 C ATOM 823 O LYS A 55 -1.658 -8.639 -12.324 1.00 0.00 O ATOM 824 CB LYS A 55 -1.034 -8.562 -9.089 1.00 0.00 C ATOM 825 CG LYS A 55 -1.742 -9.305 -7.953 1.00 0.00 C ATOM 826 CD LYS A 55 -3.269 -9.438 -8.133 1.00 0.00 C ATOM 827 CE LYS A 55 -3.720 -10.550 -9.098 1.00 0.00 C ATOM 828 NZ LYS A 55 -4.029 -10.061 -10.464 1.00 0.00 N ATOM 0 H LYS A 55 1.064 -9.939 -9.301 1.00 0.00 H new ATOM 0 HA LYS A 55 -1.484 -10.184 -10.422 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -0.110 -8.131 -8.704 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -1.663 -7.732 -9.411 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -1.311 -10.302 -7.863 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -1.543 -8.786 -7.016 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -3.719 -9.621 -7.157 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -3.661 -8.486 -8.492 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -2.937 -11.306 -9.160 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -4.603 -11.039 -8.688 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -3.878 -10.828 -11.150 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -5.021 -9.750 -10.505 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -3.406 -9.262 -10.696 1.00 0.00 H new ATOM 842 N GLY A 56 0.321 -7.711 -11.708 1.00 0.00 N ATOM 843 CA GLY A 56 0.446 -6.767 -12.814 1.00 0.00 C ATOM 844 C GLY A 56 -0.820 -5.924 -13.012 1.00 0.00 C ATOM 845 O GLY A 56 -1.448 -5.978 -14.066 1.00 0.00 O ATOM 0 H GLY A 56 1.094 -7.656 -11.044 1.00 0.00 H new ATOM 0 HA2 GLY A 56 1.293 -6.107 -12.630 1.00 0.00 H new ATOM 0 HA3 GLY A 56 0.662 -7.314 -13.732 1.00 0.00 H new ATOM 849 N ILE A 57 -1.184 -5.125 -12.004 1.00 0.00 N ATOM 850 CA ILE A 57 -2.355 -4.271 -11.976 1.00 0.00 C ATOM 851 C ILE A 57 -1.934 -2.865 -11.593 1.00 0.00 C ATOM 852 O ILE A 57 -0.888 -2.674 -10.982 1.00 0.00 O ATOM 853 CB ILE A 57 -3.390 -4.784 -10.970 1.00 0.00 C ATOM 854 CG1 ILE A 57 -2.915 -4.885 -9.506 1.00 0.00 C ATOM 855 CG2 ILE A 57 -3.954 -6.133 -11.433 1.00 0.00 C ATOM 856 CD1 ILE A 57 -3.106 -3.599 -8.696 1.00 0.00 C ATOM 0 H ILE A 57 -0.636 -5.060 -11.146 1.00 0.00 H new ATOM 0 HA ILE A 57 -2.811 -4.274 -12.966 1.00 0.00 H new ATOM 0 HB ILE A 57 -4.164 -4.017 -10.958 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -3.455 -5.694 -9.015 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -1.859 -5.155 -9.496 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -4.689 -6.488 -10.710 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -4.431 -6.013 -12.406 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -3.144 -6.858 -11.513 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -2.747 -3.753 -7.678 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -2.543 -2.789 -9.160 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -4.164 -3.338 -8.672 1.00 0.00 H new ATOM 868 N THR A 58 -2.754 -1.878 -11.937 1.00 0.00 N ATOM 869 CA THR A 58 -2.498 -0.490 -11.631 1.00 0.00 C ATOM 870 C THR A 58 -3.011 -0.217 -10.225 1.00 0.00 C ATOM 871 O THR A 58 -4.197 -0.390 -9.957 1.00 0.00 O ATOM 872 CB THR A 58 -3.190 0.373 -12.688 1.00 0.00 C ATOM 873 OG1 THR A 58 -2.791 -0.093 -13.962 1.00 0.00 O ATOM 874 CG2 THR A 58 -2.804 1.848 -12.550 1.00 0.00 C ATOM 0 H THR A 58 -3.626 -2.030 -12.444 1.00 0.00 H new ATOM 0 HA THR A 58 -1.435 -0.251 -11.655 1.00 0.00 H new ATOM 0 HB THR A 58 -4.269 0.297 -12.557 1.00 0.00 H new ATOM 0 HG1 THR A 58 -3.224 0.445 -14.657 1.00 0.00 H new ATOM 0 HG21 THR A 58 -3.314 2.431 -13.317 1.00 0.00 H new ATOM 0 HG22 THR A 58 -3.097 2.210 -11.564 1.00 0.00 H new ATOM 0 HG23 THR A 58 -1.726 1.955 -12.670 1.00 0.00 H new ATOM 882 N TRP A 59 -2.123 0.205 -9.331 1.00 0.00 N ATOM 883 CA TRP A 59 -2.455 0.614 -7.975 1.00 0.00 C ATOM 884 C TRP A 59 -3.143 1.983 -7.974 1.00 0.00 C ATOM 885 O TRP A 59 -2.619 2.968 -7.464 1.00 0.00 O ATOM 886 CB TRP A 59 -1.190 0.574 -7.114 1.00 0.00 C ATOM 887 CG TRP A 59 -0.723 -0.794 -6.737 1.00 0.00 C ATOM 888 CD1 TRP A 59 0.506 -1.288 -6.981 1.00 0.00 C ATOM 889 CD2 TRP A 59 -1.437 -1.843 -6.012 1.00 0.00 C ATOM 890 NE1 TRP A 59 0.566 -2.606 -6.580 1.00 0.00 N ATOM 891 CE2 TRP A 59 -0.604 -2.999 -5.959 1.00 0.00 C ATOM 892 CE3 TRP A 59 -2.709 -1.943 -5.407 1.00 0.00 C ATOM 893 CZ2 TRP A 59 -1.027 -4.196 -5.358 1.00 0.00 C ATOM 894 CZ3 TRP A 59 -3.083 -3.094 -4.690 1.00 0.00 C ATOM 895 CH2 TRP A 59 -2.241 -4.216 -4.653 1.00 0.00 C ATOM 0 H TRP A 59 -1.126 0.273 -9.537 1.00 0.00 H new ATOM 0 HA TRP A 59 -3.172 -0.080 -7.538 1.00 0.00 H new ATOM 0 HB2 TRP A 59 -0.388 1.080 -7.651 1.00 0.00 H new ATOM 0 HB3 TRP A 59 -1.372 1.143 -6.202 1.00 0.00 H new ATOM 0 HD1 TRP A 59 1.321 -0.735 -7.424 1.00 0.00 H new ATOM 0 HE1 TRP A 59 1.372 -3.214 -6.724 1.00 0.00 H new ATOM 0 HE3 TRP A 59 -3.406 -1.123 -5.496 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 -0.426 -5.090 -5.437 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 -4.026 -3.114 -4.164 1.00 0.00 H new ATOM 0 HH2 TRP A 59 -2.525 -5.090 -4.086 1.00 0.00 H new ATOM 906 N LYS A 60 -4.349 2.013 -8.541 1.00 0.00 N ATOM 907 CA LYS A 60 -5.291 3.124 -8.462 1.00 0.00 C ATOM 908 C LYS A 60 -6.151 3.016 -7.192 1.00 0.00 C ATOM 909 O LYS A 60 -6.110 2.003 -6.489 1.00 0.00 O ATOM 910 CB LYS A 60 -6.166 3.145 -9.726 1.00 0.00 C ATOM 911 CG LYS A 60 -6.774 1.769 -10.039 1.00 0.00 C ATOM 912 CD LYS A 60 -7.924 1.843 -11.041 1.00 0.00 C ATOM 913 CE LYS A 60 -7.531 2.247 -12.465 1.00 0.00 C ATOM 914 NZ LYS A 60 -7.733 3.693 -12.682 1.00 0.00 N ATOM 0 H LYS A 60 -4.709 1.232 -9.089 1.00 0.00 H new ATOM 0 HA LYS A 60 -4.738 4.061 -8.404 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -6.967 3.873 -9.598 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -5.567 3.476 -10.574 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -5.996 1.115 -10.433 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -7.133 1.317 -9.114 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -8.413 0.869 -11.080 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -8.661 2.555 -10.670 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -6.486 1.992 -12.644 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -8.125 1.682 -13.184 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -7.459 3.940 -13.654 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -8.735 3.930 -12.534 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -7.148 4.230 -12.011 1.00 0.00 H new ATOM 928 N GLU A 61 -7.002 4.021 -6.933 1.00 0.00 N ATOM 929 CA GLU A 61 -7.865 4.089 -5.745 1.00 0.00 C ATOM 930 C GLU A 61 -9.087 3.164 -5.822 1.00 0.00 C ATOM 931 O GLU A 61 -10.167 3.503 -5.343 1.00 0.00 O ATOM 932 CB GLU A 61 -8.300 5.537 -5.463 1.00 0.00 C ATOM 933 CG GLU A 61 -9.031 6.205 -6.643 1.00 0.00 C ATOM 934 CD GLU A 61 -9.851 7.416 -6.211 1.00 0.00 C ATOM 935 OE1 GLU A 61 -10.016 7.597 -4.981 1.00 0.00 O ATOM 936 OE2 GLU A 61 -10.238 8.189 -7.108 1.00 0.00 O ATOM 0 H GLU A 61 -7.111 4.823 -7.554 1.00 0.00 H new ATOM 0 HA GLU A 61 -7.259 3.729 -4.914 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -8.953 5.547 -4.590 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -7.420 6.129 -5.210 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -8.301 6.513 -7.391 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -9.688 5.477 -7.119 1.00 0.00 H new ATOM 943 N GLU A 62 -8.900 1.981 -6.395 1.00 0.00 N ATOM 944 CA GLU A 62 -9.932 0.979 -6.572 1.00 0.00 C ATOM 945 C GLU A 62 -9.318 -0.341 -6.108 1.00 0.00 C ATOM 946 O GLU A 62 -9.782 -0.986 -5.168 1.00 0.00 O ATOM 947 CB GLU A 62 -10.367 0.932 -8.052 1.00 0.00 C ATOM 948 CG GLU A 62 -10.726 2.307 -8.652 1.00 0.00 C ATOM 949 CD GLU A 62 -11.036 2.228 -10.147 1.00 0.00 C ATOM 950 OE1 GLU A 62 -11.338 1.110 -10.613 1.00 0.00 O ATOM 951 OE2 GLU A 62 -10.839 3.262 -10.828 1.00 0.00 O ATOM 0 H GLU A 62 -7.994 1.688 -6.760 1.00 0.00 H new ATOM 0 HA GLU A 62 -10.831 1.198 -5.996 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -9.563 0.490 -8.641 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -11.230 0.272 -8.144 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -11.589 2.716 -8.126 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -9.898 2.998 -8.491 1.00 0.00 H new ATOM 958 N THR A 63 -8.195 -0.687 -6.736 1.00 0.00 N ATOM 959 CA THR A 63 -7.400 -1.847 -6.423 1.00 0.00 C ATOM 960 C THR A 63 -6.784 -1.688 -5.037 1.00 0.00 C ATOM 961 O THR A 63 -6.885 -2.599 -4.218 1.00 0.00 O ATOM 962 CB THR A 63 -6.355 -1.988 -7.530 1.00 0.00 C ATOM 963 OG1 THR A 63 -5.764 -0.726 -7.764 1.00 0.00 O ATOM 964 CG2 THR A 63 -7.029 -2.417 -8.839 1.00 0.00 C ATOM 0 H THR A 63 -7.809 -0.138 -7.504 1.00 0.00 H new ATOM 0 HA THR A 63 -7.997 -2.758 -6.387 1.00 0.00 H new ATOM 0 HB THR A 63 -5.616 -2.727 -7.221 1.00 0.00 H new ATOM 0 HG1 THR A 63 -5.244 -0.757 -8.594 1.00 0.00 H new ATOM 0 HG21 THR A 63 -6.276 -2.515 -9.621 1.00 0.00 H new ATOM 0 HG22 THR A 63 -7.528 -3.375 -8.694 1.00 0.00 H new ATOM 0 HG23 THR A 63 -7.763 -1.667 -9.133 1.00 0.00 H new ATOM 972 N LEU A 64 -6.201 -0.518 -4.741 1.00 0.00 N ATOM 973 CA LEU A 64 -5.800 -0.204 -3.378 1.00 0.00 C ATOM 974 C LEU A 64 -6.973 -0.361 -2.423 1.00 0.00 C ATOM 975 O LEU A 64 -6.804 -0.914 -1.346 1.00 0.00 O ATOM 976 CB LEU A 64 -5.264 1.228 -3.261 1.00 0.00 C ATOM 977 CG LEU A 64 -3.731 1.293 -3.278 1.00 0.00 C ATOM 978 CD1 LEU A 64 -3.252 1.999 -4.535 1.00 0.00 C ATOM 979 CD2 LEU A 64 -3.200 2.059 -2.067 1.00 0.00 C ATOM 0 H LEU A 64 -6.002 0.213 -5.423 1.00 0.00 H new ATOM 0 HA LEU A 64 -5.007 -0.903 -3.114 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -5.657 1.826 -4.083 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -5.632 1.674 -2.337 1.00 0.00 H new ATOM 0 HG LEU A 64 -3.358 0.269 -3.252 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -2.163 2.040 -4.537 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -3.596 1.452 -5.413 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -3.653 3.012 -4.558 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -2.111 2.090 -2.105 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -3.592 3.076 -2.079 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -3.518 1.559 -1.152 1.00 0.00 H new ATOM 991 N MET A 65 -8.147 0.158 -2.779 1.00 0.00 N ATOM 992 CA MET A 65 -9.273 0.167 -1.874 1.00 0.00 C ATOM 993 C MET A 65 -9.643 -1.267 -1.483 1.00 0.00 C ATOM 994 O MET A 65 -9.683 -1.587 -0.295 1.00 0.00 O ATOM 995 CB MET A 65 -10.409 0.971 -2.519 1.00 0.00 C ATOM 996 CG MET A 65 -11.425 1.403 -1.465 1.00 0.00 C ATOM 997 SD MET A 65 -12.541 2.746 -1.952 1.00 0.00 S ATOM 998 CE MET A 65 -11.401 4.151 -1.933 1.00 0.00 C ATOM 0 H MET A 65 -8.334 0.576 -3.691 1.00 0.00 H new ATOM 0 HA MET A 65 -9.032 0.664 -0.934 1.00 0.00 H new ATOM 0 HB2 MET A 65 -10.002 1.849 -3.021 1.00 0.00 H new ATOM 0 HB3 MET A 65 -10.902 0.368 -3.282 1.00 0.00 H new ATOM 0 HG2 MET A 65 -12.027 0.537 -1.191 1.00 0.00 H new ATOM 0 HG3 MET A 65 -10.884 1.711 -0.570 1.00 0.00 H new ATOM 0 HE1 MET A 65 -11.966 5.079 -2.018 1.00 0.00 H new ATOM 0 HE2 MET A 65 -10.840 4.152 -0.998 1.00 0.00 H new ATOM 0 HE3 MET A 65 -10.709 4.069 -2.771 1.00 0.00 H new ATOM 1008 N GLU A 66 -9.858 -2.140 -2.474 1.00 0.00 N ATOM 1009 CA GLU A 66 -10.184 -3.538 -2.210 1.00 0.00 C ATOM 1010 C GLU A 66 -9.060 -4.228 -1.420 1.00 0.00 C ATOM 1011 O GLU A 66 -9.323 -4.906 -0.428 1.00 0.00 O ATOM 1012 CB GLU A 66 -10.493 -4.276 -3.522 1.00 0.00 C ATOM 1013 CG GLU A 66 -11.266 -5.572 -3.233 1.00 0.00 C ATOM 1014 CD GLU A 66 -11.372 -6.490 -4.441 1.00 0.00 C ATOM 1015 OE1 GLU A 66 -11.256 -5.986 -5.576 1.00 0.00 O ATOM 1016 OE2 GLU A 66 -11.535 -7.707 -4.199 1.00 0.00 O ATOM 0 H GLU A 66 -9.811 -1.899 -3.464 1.00 0.00 H new ATOM 0 HA GLU A 66 -11.080 -3.572 -1.590 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -11.079 -3.634 -4.180 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -9.565 -4.507 -4.045 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -10.774 -6.107 -2.421 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -12.269 -5.320 -2.888 1.00 0.00 H new ATOM 1023 N TYR A 67 -7.806 -4.059 -1.852 1.00 0.00 N ATOM 1024 CA TYR A 67 -6.635 -4.632 -1.192 1.00 0.00 C ATOM 1025 C TYR A 67 -6.612 -4.253 0.280 1.00 0.00 C ATOM 1026 O TYR A 67 -6.711 -5.118 1.137 1.00 0.00 O ATOM 1027 CB TYR A 67 -5.371 -4.178 -1.924 1.00 0.00 C ATOM 1028 CG TYR A 67 -4.067 -4.776 -1.428 1.00 0.00 C ATOM 1029 CD1 TYR A 67 -3.941 -6.164 -1.253 1.00 0.00 C ATOM 1030 CD2 TYR A 67 -2.933 -3.961 -1.272 1.00 0.00 C ATOM 1031 CE1 TYR A 67 -2.714 -6.737 -0.890 1.00 0.00 C ATOM 1032 CE2 TYR A 67 -1.700 -4.540 -0.939 1.00 0.00 C ATOM 1033 CZ TYR A 67 -1.584 -5.926 -0.749 1.00 0.00 C ATOM 1034 OH TYR A 67 -0.384 -6.500 -0.479 1.00 0.00 O ATOM 0 H TYR A 67 -7.576 -3.512 -2.682 1.00 0.00 H new ATOM 0 HA TYR A 67 -6.682 -5.720 -1.236 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -5.480 -4.420 -2.981 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -5.302 -3.093 -1.850 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -4.802 -6.799 -1.400 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -3.011 -2.892 -1.408 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -2.642 -7.801 -0.720 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -0.829 -3.912 -0.827 1.00 0.00 H new ATOM 0 HH TYR A 67 -0.026 -6.132 0.356 1.00 0.00 H new ATOM 1044 N LEU A 68 -6.497 -2.968 0.588 1.00 0.00 N ATOM 1045 CA LEU A 68 -6.455 -2.498 1.960 1.00 0.00 C ATOM 1046 C LEU A 68 -7.684 -2.938 2.758 1.00 0.00 C ATOM 1047 O LEU A 68 -7.556 -3.228 3.944 1.00 0.00 O ATOM 1048 CB LEU A 68 -6.250 -0.975 2.015 1.00 0.00 C ATOM 1049 CG LEU A 68 -4.780 -0.521 1.948 1.00 0.00 C ATOM 1050 CD1 LEU A 68 -3.913 -1.244 2.984 1.00 0.00 C ATOM 1051 CD2 LEU A 68 -4.165 -0.685 0.558 1.00 0.00 C ATOM 0 H LEU A 68 -6.430 -2.225 -0.108 1.00 0.00 H new ATOM 0 HA LEU A 68 -5.594 -2.965 2.438 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -6.795 -0.519 1.189 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -6.692 -0.596 2.936 1.00 0.00 H new ATOM 0 HG LEU A 68 -4.797 0.544 2.179 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -2.883 -0.895 2.904 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -4.290 -1.034 3.985 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -3.948 -2.318 2.802 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -3.129 -0.348 0.577 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -4.200 -1.735 0.266 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -4.727 -0.090 -0.161 1.00 0.00 H new ATOM 1063 N GLU A 69 -8.864 -3.009 2.135 1.00 0.00 N ATOM 1064 CA GLU A 69 -10.041 -3.530 2.817 1.00 0.00 C ATOM 1065 C GLU A 69 -9.855 -5.004 3.204 1.00 0.00 C ATOM 1066 O GLU A 69 -10.211 -5.402 4.314 1.00 0.00 O ATOM 1067 CB GLU A 69 -11.284 -3.311 1.943 1.00 0.00 C ATOM 1068 CG GLU A 69 -12.586 -3.434 2.745 1.00 0.00 C ATOM 1069 CD GLU A 69 -13.767 -2.866 1.968 1.00 0.00 C ATOM 1070 OE1 GLU A 69 -13.766 -1.629 1.773 1.00 0.00 O ATOM 1071 OE2 GLU A 69 -14.649 -3.662 1.590 1.00 0.00 O ATOM 0 H GLU A 69 -9.024 -2.715 1.171 1.00 0.00 H new ATOM 0 HA GLU A 69 -10.183 -2.984 3.750 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -11.234 -2.324 1.484 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -11.289 -4.039 1.132 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -12.773 -4.481 2.982 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -12.483 -2.906 3.693 1.00 0.00 H new ATOM 1078 N ASN A 70 -9.327 -5.827 2.289 1.00 0.00 N ATOM 1079 CA ASN A 70 -9.303 -7.279 2.431 1.00 0.00 C ATOM 1080 C ASN A 70 -8.101 -7.886 1.698 1.00 0.00 C ATOM 1081 O ASN A 70 -8.269 -8.592 0.704 1.00 0.00 O ATOM 1082 CB ASN A 70 -10.607 -7.837 1.843 1.00 0.00 C ATOM 1083 CG ASN A 70 -10.999 -9.228 2.338 1.00 0.00 C ATOM 1084 OD1 ASN A 70 -12.118 -9.669 2.097 1.00 0.00 O ATOM 1085 ND2 ASN A 70 -10.122 -9.965 3.021 1.00 0.00 N ATOM 0 H ASN A 70 -8.902 -5.495 1.423 1.00 0.00 H new ATOM 0 HA ASN A 70 -9.213 -7.539 3.486 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -11.417 -7.145 2.074 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -10.514 -7.868 0.757 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -10.381 -10.897 3.344 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -9.192 -9.597 3.220 1.00 0.00 H new ATOM 1092 N PRO A 71 -6.872 -7.684 2.182 1.00 0.00 N ATOM 1093 CA PRO A 71 -5.691 -7.930 1.370 1.00 0.00 C ATOM 1094 C PRO A 71 -5.525 -9.416 1.069 1.00 0.00 C ATOM 1095 O PRO A 71 -5.234 -9.800 -0.062 1.00 0.00 O ATOM 1096 CB PRO A 71 -4.520 -7.308 2.131 1.00 0.00 C ATOM 1097 CG PRO A 71 -5.022 -7.202 3.572 1.00 0.00 C ATOM 1098 CD PRO A 71 -6.539 -7.057 3.444 1.00 0.00 C ATOM 0 HA PRO A 71 -5.763 -7.472 0.383 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -3.627 -7.930 2.065 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -4.258 -6.330 1.728 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -4.756 -8.087 4.150 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -4.584 -6.344 4.082 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -7.053 -7.543 4.273 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -6.837 -6.009 3.454 1.00 0.00 H new ATOM 1106 N LYS A 72 -5.785 -10.253 2.077 1.00 0.00 N ATOM 1107 CA LYS A 72 -5.761 -11.703 1.950 1.00 0.00 C ATOM 1108 C LYS A 72 -6.767 -12.215 0.905 1.00 0.00 C ATOM 1109 O LYS A 72 -6.604 -13.322 0.399 1.00 0.00 O ATOM 1110 CB LYS A 72 -6.058 -12.334 3.320 1.00 0.00 C ATOM 1111 CG LYS A 72 -5.449 -13.740 3.430 1.00 0.00 C ATOM 1112 CD LYS A 72 -6.303 -14.742 4.221 1.00 0.00 C ATOM 1113 CE LYS A 72 -6.589 -14.342 5.679 1.00 0.00 C ATOM 1114 NZ LYS A 72 -7.804 -13.513 5.821 1.00 0.00 N ATOM 0 H LYS A 72 -6.021 -9.932 3.016 1.00 0.00 H new ATOM 0 HA LYS A 72 -4.768 -11.994 1.606 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -5.657 -11.699 4.110 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -7.136 -12.389 3.471 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -5.288 -14.132 2.426 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -4.470 -13.663 3.903 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -7.253 -14.875 3.703 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -5.799 -15.709 4.217 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -6.698 -15.243 6.283 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -5.734 -13.794 6.075 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -8.159 -13.581 6.796 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -7.575 -12.522 5.604 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -8.534 -13.852 5.163 1.00 0.00 H new ATOM 1128 N LYS A 73 -7.839 -11.460 0.629 1.00 0.00 N ATOM 1129 CA LYS A 73 -8.802 -11.824 -0.401 1.00 0.00 C ATOM 1130 C LYS A 73 -8.269 -11.327 -1.739 1.00 0.00 C ATOM 1131 O LYS A 73 -8.148 -12.113 -2.676 1.00 0.00 O ATOM 1132 CB LYS A 73 -10.177 -11.219 -0.091 1.00 0.00 C ATOM 1133 CG LYS A 73 -11.235 -11.521 -1.165 1.00 0.00 C ATOM 1134 CD LYS A 73 -12.268 -10.383 -1.234 1.00 0.00 C ATOM 1135 CE LYS A 73 -13.130 -10.464 -2.502 1.00 0.00 C ATOM 1136 NZ LYS A 73 -12.370 -10.107 -3.720 1.00 0.00 N ATOM 0 H LYS A 73 -8.056 -10.588 1.113 1.00 0.00 H new ATOM 0 HA LYS A 73 -8.930 -12.906 -0.436 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -10.525 -11.601 0.869 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -10.075 -10.139 0.014 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -10.753 -11.643 -2.135 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -11.736 -12.462 -0.937 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -12.911 -10.424 -0.355 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -11.752 -9.423 -1.207 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -13.526 -11.474 -2.606 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -13.985 -9.796 -2.401 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -13.020 -10.044 -4.529 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -11.901 -9.189 -3.580 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -11.653 -10.837 -3.908 1.00 0.00 H new ATOM 1150 N TYR A 74 -8.005 -10.018 -1.847 1.00 0.00 N ATOM 1151 CA TYR A 74 -7.537 -9.415 -3.089 1.00 0.00 C ATOM 1152 C TYR A 74 -6.378 -10.202 -3.719 1.00 0.00 C ATOM 1153 O TYR A 74 -6.388 -10.452 -4.924 1.00 0.00 O ATOM 1154 CB TYR A 74 -7.129 -7.974 -2.806 1.00 0.00 C ATOM 1155 CG TYR A 74 -6.759 -7.172 -4.041 1.00 0.00 C ATOM 1156 CD1 TYR A 74 -7.780 -6.722 -4.894 1.00 0.00 C ATOM 1157 CD2 TYR A 74 -5.414 -6.948 -4.388 1.00 0.00 C ATOM 1158 CE1 TYR A 74 -7.464 -6.064 -6.093 1.00 0.00 C ATOM 1159 CE2 TYR A 74 -5.095 -6.313 -5.602 1.00 0.00 C ATOM 1160 CZ TYR A 74 -6.121 -5.875 -6.454 1.00 0.00 C ATOM 1161 OH TYR A 74 -5.812 -5.346 -7.672 1.00 0.00 O ATOM 0 H TYR A 74 -8.111 -9.356 -1.078 1.00 0.00 H new ATOM 0 HA TYR A 74 -8.349 -9.438 -3.816 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -7.949 -7.471 -2.294 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -6.280 -7.977 -2.122 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -8.814 -6.883 -4.626 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -4.625 -7.264 -3.721 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -8.253 -5.704 -6.737 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -4.062 -6.163 -5.878 1.00 0.00 H new ATOM 0 HH TYR A 74 -6.601 -5.379 -8.253 1.00 0.00 H new ATOM 1171 N ILE A 75 -5.384 -10.589 -2.910 1.00 0.00 N ATOM 1172 CA ILE A 75 -4.294 -11.472 -3.326 1.00 0.00 C ATOM 1173 C ILE A 75 -4.343 -12.756 -2.485 1.00 0.00 C ATOM 1174 O ILE A 75 -4.190 -12.682 -1.264 1.00 0.00 O ATOM 1175 CB ILE A 75 -2.938 -10.748 -3.204 1.00 0.00 C ATOM 1176 CG1 ILE A 75 -2.813 -9.717 -4.338 1.00 0.00 C ATOM 1177 CG2 ILE A 75 -1.769 -11.739 -3.327 1.00 0.00 C ATOM 1178 CD1 ILE A 75 -1.786 -8.624 -4.037 1.00 0.00 C ATOM 0 H ILE A 75 -5.316 -10.292 -1.936 1.00 0.00 H new ATOM 0 HA ILE A 75 -4.412 -11.745 -4.375 1.00 0.00 H new ATOM 0 HB ILE A 75 -2.897 -10.265 -2.228 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -2.532 -10.229 -5.259 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -3.785 -9.257 -4.513 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -0.825 -11.201 -3.237 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -1.839 -12.484 -2.535 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -1.813 -12.235 -4.296 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -1.742 -7.926 -4.873 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -2.078 -8.090 -3.133 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -0.805 -9.077 -3.890 1.00 0.00 H new ATOM 1190 N PRO A 76 -4.516 -13.939 -3.105 1.00 0.00 N ATOM 1191 CA PRO A 76 -4.618 -15.204 -2.393 1.00 0.00 C ATOM 1192 C PRO A 76 -3.241 -15.652 -1.886 1.00 0.00 C ATOM 1193 O PRO A 76 -2.643 -16.577 -2.431 1.00 0.00 O ATOM 1194 CB PRO A 76 -5.218 -16.183 -3.409 1.00 0.00 C ATOM 1195 CG PRO A 76 -4.671 -15.669 -4.740 1.00 0.00 C ATOM 1196 CD PRO A 76 -4.674 -14.154 -4.539 1.00 0.00 C ATOM 0 HA PRO A 76 -5.243 -15.138 -1.502 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -4.907 -17.209 -3.214 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -6.308 -16.170 -3.388 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -3.669 -16.049 -4.941 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -5.299 -15.968 -5.579 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -3.863 -13.685 -5.096 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -5.604 -13.714 -4.899 1.00 0.00 H new ATOM 1204 N GLY A 77 -2.749 -15.005 -0.827 1.00 0.00 N ATOM 1205 CA GLY A 77 -1.504 -15.372 -0.163 1.00 0.00 C ATOM 1206 C GLY A 77 -0.398 -14.378 -0.500 1.00 0.00 C ATOM 1207 O GLY A 77 0.577 -14.712 -1.164 1.00 0.00 O ATOM 0 H GLY A 77 -3.213 -14.201 -0.404 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -1.657 -15.401 0.916 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -1.205 -16.374 -0.470 1.00 0.00 H new ATOM 1211 N THR A 78 -0.557 -13.148 -0.015 1.00 0.00 N ATOM 1212 CA THR A 78 0.465 -12.117 -0.063 1.00 0.00 C ATOM 1213 C THR A 78 1.416 -12.323 1.119 1.00 0.00 C ATOM 1214 O THR A 78 1.059 -12.971 2.103 1.00 0.00 O ATOM 1215 CB THR A 78 -0.213 -10.734 -0.036 1.00 0.00 C ATOM 1216 OG1 THR A 78 0.745 -9.729 0.192 1.00 0.00 O ATOM 1217 CG2 THR A 78 -1.310 -10.598 1.027 1.00 0.00 C ATOM 0 H THR A 78 -1.421 -12.839 0.431 1.00 0.00 H new ATOM 0 HA THR A 78 1.049 -12.177 -0.982 1.00 0.00 H new ATOM 0 HB THR A 78 -0.686 -10.624 -1.012 1.00 0.00 H new ATOM 0 HG1 THR A 78 0.337 -8.850 0.048 1.00 0.00 H new ATOM 0 HG21 THR A 78 -1.738 -9.597 0.982 1.00 0.00 H new ATOM 0 HG22 THR A 78 -2.091 -11.335 0.840 1.00 0.00 H new ATOM 0 HG23 THR A 78 -0.882 -10.765 2.015 1.00 0.00 H new ATOM 1225 N LYS A 79 2.619 -11.746 1.045 1.00 0.00 N ATOM 1226 CA LYS A 79 3.478 -11.631 2.219 1.00 0.00 C ATOM 1227 C LYS A 79 2.893 -10.616 3.214 1.00 0.00 C ATOM 1228 O LYS A 79 3.270 -10.625 4.384 1.00 0.00 O ATOM 1229 CB LYS A 79 4.898 -11.212 1.808 1.00 0.00 C ATOM 1230 CG LYS A 79 5.963 -11.569 2.854 1.00 0.00 C ATOM 1231 CD LYS A 79 6.546 -12.961 2.580 1.00 0.00 C ATOM 1232 CE LYS A 79 7.097 -13.569 3.876 1.00 0.00 C ATOM 1233 NZ LYS A 79 7.866 -14.805 3.622 1.00 0.00 N ATOM 0 H LYS A 79 3.015 -11.355 0.190 1.00 0.00 H new ATOM 0 HA LYS A 79 3.529 -12.606 2.704 1.00 0.00 H new ATOM 0 HB2 LYS A 79 5.152 -11.692 0.863 1.00 0.00 H new ATOM 0 HB3 LYS A 79 4.916 -10.136 1.634 1.00 0.00 H new ATOM 0 HG2 LYS A 79 6.760 -10.826 2.837 1.00 0.00 H new ATOM 0 HG3 LYS A 79 5.524 -11.543 3.851 1.00 0.00 H new ATOM 0 HD2 LYS A 79 5.776 -13.610 2.164 1.00 0.00 H new ATOM 0 HD3 LYS A 79 7.340 -12.891 1.836 1.00 0.00 H new ATOM 0 HE2 LYS A 79 7.735 -12.841 4.376 1.00 0.00 H new ATOM 0 HE3 LYS A 79 6.272 -13.788 4.554 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 8.221 -15.184 4.523 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 7.250 -15.510 3.168 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 8.669 -14.592 2.996 1.00 0.00 H new ATOM 1247 N MET A 80 2.030 -9.703 2.754 1.00 0.00 N ATOM 1248 CA MET A 80 1.476 -8.635 3.568 1.00 0.00 C ATOM 1249 C MET A 80 0.577 -9.191 4.673 1.00 0.00 C ATOM 1250 O MET A 80 -0.145 -10.166 4.476 1.00 0.00 O ATOM 1251 CB MET A 80 0.708 -7.690 2.648 1.00 0.00 C ATOM 1252 CG MET A 80 0.124 -6.449 3.312 1.00 0.00 C ATOM 1253 SD MET A 80 0.187 -5.010 2.225 1.00 0.00 S ATOM 1254 CE MET A 80 -1.467 -4.282 2.409 1.00 0.00 C ATOM 0 H MET A 80 1.697 -9.692 1.790 1.00 0.00 H new ATOM 0 HA MET A 80 2.279 -8.092 4.067 1.00 0.00 H new ATOM 0 HB2 MET A 80 1.375 -7.371 1.847 1.00 0.00 H new ATOM 0 HB3 MET A 80 -0.105 -8.247 2.183 1.00 0.00 H new ATOM 0 HG2 MET A 80 -0.910 -6.643 3.598 1.00 0.00 H new ATOM 0 HG3 MET A 80 0.673 -6.235 4.229 1.00 0.00 H new ATOM 0 HE1 MET A 80 -1.544 -3.391 1.786 1.00 0.00 H new ATOM 0 HE2 MET A 80 -2.220 -5.007 2.100 1.00 0.00 H new ATOM 0 HE3 MET A 80 -1.631 -4.011 3.452 1.00 0.00 H new ATOM 1264 N ILE A 81 0.628 -8.552 5.842 1.00 0.00 N ATOM 1265 CA ILE A 81 0.005 -9.014 7.071 1.00 0.00 C ATOM 1266 C ILE A 81 -0.876 -7.880 7.588 1.00 0.00 C ATOM 1267 O ILE A 81 -0.398 -6.998 8.301 1.00 0.00 O ATOM 1268 CB ILE A 81 1.099 -9.383 8.088 1.00 0.00 C ATOM 1269 CG1 ILE A 81 2.184 -10.325 7.535 1.00 0.00 C ATOM 1270 CG2 ILE A 81 0.482 -9.958 9.371 1.00 0.00 C ATOM 1271 CD1 ILE A 81 1.680 -11.716 7.137 1.00 0.00 C ATOM 0 H ILE A 81 1.123 -7.668 5.957 1.00 0.00 H new ATOM 0 HA ILE A 81 -0.604 -9.903 6.904 1.00 0.00 H new ATOM 0 HB ILE A 81 1.610 -8.448 8.319 1.00 0.00 H new ATOM 0 HG12 ILE A 81 2.643 -9.857 6.664 1.00 0.00 H new ATOM 0 HG13 ILE A 81 2.966 -10.438 8.286 1.00 0.00 H new ATOM 0 HG21 ILE A 81 1.275 -10.211 10.074 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -0.179 -9.217 9.821 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -0.089 -10.855 9.130 1.00 0.00 H new ATOM 0 HD11 ILE A 81 2.512 -12.310 6.759 1.00 0.00 H new ATOM 0 HD12 ILE A 81 1.248 -12.209 8.008 1.00 0.00 H new ATOM 0 HD13 ILE A 81 0.921 -11.620 6.361 1.00 0.00 H new ATOM 1283 N PHE A 82 -2.154 -7.863 7.201 1.00 0.00 N ATOM 1284 CA PHE A 82 -3.050 -6.781 7.580 1.00 0.00 C ATOM 1285 C PHE A 82 -4.508 -7.258 7.536 1.00 0.00 C ATOM 1286 O PHE A 82 -5.227 -7.060 6.558 1.00 0.00 O ATOM 1287 CB PHE A 82 -2.751 -5.563 6.694 1.00 0.00 C ATOM 1288 CG PHE A 82 -3.250 -4.256 7.259 1.00 0.00 C ATOM 1289 CD1 PHE A 82 -2.655 -3.711 8.412 1.00 0.00 C ATOM 1290 CD2 PHE A 82 -4.299 -3.576 6.625 1.00 0.00 C ATOM 1291 CE1 PHE A 82 -3.135 -2.503 8.950 1.00 0.00 C ATOM 1292 CE2 PHE A 82 -4.770 -2.372 7.161 1.00 0.00 C ATOM 1293 CZ PHE A 82 -4.206 -1.837 8.331 1.00 0.00 C ATOM 0 H PHE A 82 -2.586 -8.587 6.627 1.00 0.00 H new ATOM 0 HA PHE A 82 -2.884 -6.470 8.611 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -1.674 -5.493 6.541 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -3.203 -5.720 5.714 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -1.829 -4.221 8.885 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -4.742 -3.980 5.727 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -2.681 -2.088 9.838 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -5.576 -1.848 6.669 1.00 0.00 H new ATOM 0 HZ PHE A 82 -4.593 -0.921 8.752 1.00 0.00 H new ATOM 1303 N ALA A 83 -4.933 -7.954 8.594 1.00 0.00 N ATOM 1304 CA ALA A 83 -6.225 -8.629 8.660 1.00 0.00 C ATOM 1305 C ALA A 83 -7.370 -7.648 8.937 1.00 0.00 C ATOM 1306 O ALA A 83 -7.960 -7.670 10.014 1.00 0.00 O ATOM 1307 CB ALA A 83 -6.161 -9.730 9.725 1.00 0.00 C ATOM 0 H ALA A 83 -4.377 -8.064 9.442 1.00 0.00 H new ATOM 0 HA ALA A 83 -6.436 -9.078 7.690 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -7.123 -10.239 9.780 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -5.385 -10.448 9.460 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -5.929 -9.287 10.693 1.00 0.00 H new ATOM 1313 N GLY A 84 -7.701 -6.812 7.953 1.00 0.00 N ATOM 1314 CA GLY A 84 -8.766 -5.823 8.043 1.00 0.00 C ATOM 1315 C GLY A 84 -8.142 -4.445 7.891 1.00 0.00 C ATOM 1316 O GLY A 84 -7.169 -4.319 7.154 1.00 0.00 O ATOM 0 H GLY A 84 -7.223 -6.806 7.052 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -9.510 -5.992 7.265 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -9.282 -5.904 9.000 1.00 0.00 H new ATOM 1320 N ILE A 85 -8.670 -3.421 8.574 1.00 0.00 N ATOM 1321 CA ILE A 85 -8.161 -2.071 8.454 1.00 0.00 C ATOM 1322 C ILE A 85 -8.537 -1.266 9.704 1.00 0.00 C ATOM 1323 O ILE A 85 -7.674 -1.011 10.537 1.00 0.00 O ATOM 1324 CB ILE A 85 -8.565 -1.489 7.082 1.00 0.00 C ATOM 1325 CG1 ILE A 85 -7.943 -0.108 6.849 1.00 0.00 C ATOM 1326 CG2 ILE A 85 -10.081 -1.485 6.812 1.00 0.00 C ATOM 1327 CD1 ILE A 85 -7.348 0.048 5.451 1.00 0.00 C ATOM 0 H ILE A 85 -9.456 -3.515 9.218 1.00 0.00 H new ATOM 0 HA ILE A 85 -7.072 -2.032 8.442 1.00 0.00 H new ATOM 0 HB ILE A 85 -8.150 -2.179 6.347 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -8.703 0.658 7.002 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -7.164 0.064 7.591 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -10.274 -1.060 5.827 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -10.459 -2.507 6.847 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -10.584 -0.886 7.571 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -6.923 1.046 5.346 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -6.566 -0.697 5.303 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -8.130 -0.094 4.705 1.00 0.00 H new ATOM 1339 N LYS A 86 -9.816 -0.927 9.898 1.00 0.00 N ATOM 1340 CA LYS A 86 -10.293 -0.275 11.100 1.00 0.00 C ATOM 1341 C LYS A 86 -11.814 -0.413 11.180 1.00 0.00 C ATOM 1342 O LYS A 86 -12.321 -1.234 11.937 1.00 0.00 O ATOM 1343 CB LYS A 86 -9.833 1.189 11.096 1.00 0.00 C ATOM 1344 CG LYS A 86 -10.354 1.942 12.316 1.00 0.00 C ATOM 1345 CD LYS A 86 -9.583 3.262 12.481 1.00 0.00 C ATOM 1346 CE LYS A 86 -10.153 4.177 13.573 1.00 0.00 C ATOM 1347 NZ LYS A 86 -10.086 3.566 14.914 1.00 0.00 N ATOM 0 H LYS A 86 -10.549 -1.104 9.211 1.00 0.00 H new ATOM 0 HA LYS A 86 -9.876 -0.747 11.990 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -8.744 1.229 11.080 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -10.183 1.679 10.188 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -11.419 2.144 12.203 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -10.239 1.329 13.210 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -8.542 3.038 12.714 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -9.589 3.797 11.531 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -9.602 5.118 13.578 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -11.190 4.416 13.338 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -10.483 4.223 15.615 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -10.633 2.681 14.920 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -9.095 3.362 15.153 1.00 0.00 H new ATOM 1361 N LYS A 87 -12.528 0.421 10.416 1.00 0.00 N ATOM 1362 CA LYS A 87 -13.981 0.547 10.410 1.00 0.00 C ATOM 1363 C LYS A 87 -14.350 1.659 9.425 1.00 0.00 C ATOM 1364 O LYS A 87 -14.735 2.748 9.844 1.00 0.00 O ATOM 1365 CB LYS A 87 -14.513 0.875 11.820 1.00 0.00 C ATOM 1366 CG LYS A 87 -16.049 1.023 11.817 1.00 0.00 C ATOM 1367 CD LYS A 87 -16.783 0.200 12.891 1.00 0.00 C ATOM 1368 CE LYS A 87 -16.735 0.803 14.301 1.00 0.00 C ATOM 1369 NZ LYS A 87 -15.376 0.800 14.873 1.00 0.00 N ATOM 0 H LYS A 87 -12.082 1.056 9.754 1.00 0.00 H new ATOM 0 HA LYS A 87 -14.435 -0.396 10.106 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -14.223 0.086 12.514 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -14.057 1.798 12.178 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -16.298 2.075 11.954 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -16.425 0.731 10.837 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -17.826 0.087 12.594 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -16.350 -0.800 12.923 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -17.109 1.826 14.267 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -17.402 0.241 14.955 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -15.430 0.974 15.897 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -14.929 -0.123 14.702 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -14.809 1.548 14.425 1.00 0.00 H new ATOM 1383 N LYS A 88 -14.196 1.396 8.123 1.00 0.00 N ATOM 1384 CA LYS A 88 -14.607 2.303 7.049 1.00 0.00 C ATOM 1385 C LYS A 88 -14.154 3.747 7.334 1.00 0.00 C ATOM 1386 O LYS A 88 -14.904 4.703 7.162 1.00 0.00 O ATOM 1387 CB LYS A 88 -16.128 2.147 6.838 1.00 0.00 C ATOM 1388 CG LYS A 88 -16.625 2.378 5.399 1.00 0.00 C ATOM 1389 CD LYS A 88 -16.504 3.837 4.940 1.00 0.00 C ATOM 1390 CE LYS A 88 -17.258 4.078 3.627 1.00 0.00 C ATOM 1391 NZ LYS A 88 -17.118 5.478 3.174 1.00 0.00 N ATOM 0 H LYS A 88 -13.775 0.532 7.781 1.00 0.00 H new ATOM 0 HA LYS A 88 -14.115 2.043 6.112 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -16.419 1.143 7.147 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -16.642 2.846 7.498 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -16.057 1.743 4.720 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -17.668 2.068 5.328 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -16.898 4.497 5.713 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -15.452 4.092 4.809 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -16.877 3.405 2.858 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -18.313 3.842 3.763 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -17.871 5.699 2.491 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -17.194 6.117 3.991 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -16.191 5.605 2.720 1.00 0.00 H new ATOM 1405 N THR A 89 -12.914 3.885 7.807 1.00 0.00 N ATOM 1406 CA THR A 89 -12.309 5.138 8.205 1.00 0.00 C ATOM 1407 C THR A 89 -10.871 5.098 7.696 1.00 0.00 C ATOM 1408 O THR A 89 -10.530 5.796 6.743 1.00 0.00 O ATOM 1409 CB THR A 89 -12.400 5.265 9.734 1.00 0.00 C ATOM 1410 OG1 THR A 89 -13.748 5.324 10.151 1.00 0.00 O ATOM 1411 CG2 THR A 89 -11.676 6.515 10.219 1.00 0.00 C ATOM 0 H THR A 89 -12.286 3.089 7.924 1.00 0.00 H new ATOM 0 HA THR A 89 -12.811 6.011 7.788 1.00 0.00 H new ATOM 0 HB THR A 89 -11.925 4.384 10.165 1.00 0.00 H new ATOM 0 HG1 THR A 89 -14.152 4.434 10.079 1.00 0.00 H new ATOM 0 HG21 THR A 89 -11.754 6.583 11.304 1.00 0.00 H new ATOM 0 HG22 THR A 89 -10.625 6.461 9.934 1.00 0.00 H new ATOM 0 HG23 THR A 89 -12.130 7.397 9.767 1.00 0.00 H new ATOM 1419 N GLU A 90 -10.073 4.197 8.285 1.00 0.00 N ATOM 1420 CA GLU A 90 -8.668 4.021 7.937 1.00 0.00 C ATOM 1421 C GLU A 90 -8.521 3.818 6.426 1.00 0.00 C ATOM 1422 O GLU A 90 -7.784 4.534 5.760 1.00 0.00 O ATOM 1423 CB GLU A 90 -8.079 2.897 8.803 1.00 0.00 C ATOM 1424 CG GLU A 90 -6.548 2.888 8.819 1.00 0.00 C ATOM 1425 CD GLU A 90 -5.997 2.254 10.092 1.00 0.00 C ATOM 1426 OE1 GLU A 90 -6.475 2.647 11.183 1.00 0.00 O ATOM 1427 OE2 GLU A 90 -5.087 1.409 9.963 1.00 0.00 O ATOM 0 H GLU A 90 -10.393 3.568 9.021 1.00 0.00 H new ATOM 0 HA GLU A 90 -8.086 4.915 8.159 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -8.446 3.003 9.824 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -8.438 1.936 8.434 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -6.179 2.341 7.952 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -6.178 3.910 8.732 1.00 0.00 H new ATOM 1434 N ARG A 91 -9.350 2.935 5.861 1.00 0.00 N ATOM 1435 CA ARG A 91 -9.439 2.614 4.434 1.00 0.00 C ATOM 1436 C ARG A 91 -9.906 3.788 3.558 1.00 0.00 C ATOM 1437 O ARG A 91 -10.211 3.586 2.383 1.00 0.00 O ATOM 1438 CB ARG A 91 -10.411 1.434 4.268 1.00 0.00 C ATOM 1439 CG ARG A 91 -10.256 0.682 2.931 1.00 0.00 C ATOM 1440 CD ARG A 91 -11.610 0.511 2.236 1.00 0.00 C ATOM 1441 NE ARG A 91 -12.210 1.805 1.869 1.00 0.00 N ATOM 1442 CZ ARG A 91 -13.420 1.946 1.307 1.00 0.00 C ATOM 1443 NH1 ARG A 91 -14.167 0.870 1.038 1.00 0.00 N ATOM 1444 NH2 ARG A 91 -13.889 3.160 1.011 1.00 0.00 N ATOM 0 H ARG A 91 -10.013 2.396 6.418 1.00 0.00 H new ATOM 0 HA ARG A 91 -8.433 2.367 4.094 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -10.259 0.732 5.088 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -11.433 1.803 4.350 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -9.575 1.229 2.279 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -9.809 -0.296 3.110 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -11.483 -0.097 1.340 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -12.290 -0.030 2.895 1.00 0.00 H new ATOM 0 HE ARG A 91 -11.670 2.650 2.054 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -13.817 -0.062 1.260 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -15.086 0.981 0.611 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -13.327 3.987 1.212 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -14.810 3.261 0.584 1.00 0.00 H new ATOM 1458 N GLU A 92 -10.017 4.993 4.113 1.00 0.00 N ATOM 1459 CA GLU A 92 -10.442 6.188 3.425 1.00 0.00 C ATOM 1460 C GLU A 92 -9.330 7.230 3.556 1.00 0.00 C ATOM 1461 O GLU A 92 -8.863 7.767 2.556 1.00 0.00 O ATOM 1462 CB GLU A 92 -11.773 6.639 4.046 1.00 0.00 C ATOM 1463 CG GLU A 92 -12.653 7.360 3.018 1.00 0.00 C ATOM 1464 CD GLU A 92 -13.482 6.334 2.251 1.00 0.00 C ATOM 1465 OE1 GLU A 92 -12.891 5.556 1.474 1.00 0.00 O ATOM 1466 OE2 GLU A 92 -14.700 6.266 2.525 1.00 0.00 O ATOM 0 H GLU A 92 -9.802 5.159 5.096 1.00 0.00 H new ATOM 0 HA GLU A 92 -10.613 6.027 2.361 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -12.305 5.773 4.439 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -11.577 7.302 4.889 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -13.309 8.072 3.520 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -12.032 7.931 2.328 1.00 0.00 H new ATOM 1473 N ASP A 93 -8.892 7.512 4.788 1.00 0.00 N ATOM 1474 CA ASP A 93 -7.797 8.438 5.046 1.00 0.00 C ATOM 1475 C ASP A 93 -6.491 7.907 4.483 1.00 0.00 C ATOM 1476 O ASP A 93 -5.787 8.634 3.794 1.00 0.00 O ATOM 1477 CB ASP A 93 -7.634 8.781 6.525 1.00 0.00 C ATOM 1478 CG ASP A 93 -7.709 7.636 7.510 1.00 0.00 C ATOM 1479 OD1 ASP A 93 -6.702 6.916 7.600 1.00 0.00 O ATOM 1480 OD2 ASP A 93 -8.767 7.524 8.165 1.00 0.00 O ATOM 0 H ASP A 93 -9.291 7.101 5.632 1.00 0.00 H new ATOM 0 HA ASP A 93 -8.059 9.364 4.534 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -6.671 9.275 6.653 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -8.403 9.507 6.791 1.00 0.00 H new ATOM 1485 N LEU A 94 -6.172 6.641 4.737 1.00 0.00 N ATOM 1486 CA LEU A 94 -5.053 5.970 4.058 1.00 0.00 C ATOM 1487 C LEU A 94 -5.092 6.239 2.550 1.00 0.00 C ATOM 1488 O LEU A 94 -4.110 6.693 1.958 1.00 0.00 O ATOM 1489 CB LEU A 94 -5.090 4.448 4.259 1.00 0.00 C ATOM 1490 CG LEU A 94 -4.440 3.895 5.540 1.00 0.00 C ATOM 1491 CD1 LEU A 94 -3.110 3.259 5.160 1.00 0.00 C ATOM 1492 CD2 LEU A 94 -4.179 4.893 6.669 1.00 0.00 C ATOM 0 H LEU A 94 -6.669 6.054 5.407 1.00 0.00 H new ATOM 0 HA LEU A 94 -4.142 6.374 4.498 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -6.132 4.130 4.244 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -4.602 3.982 3.403 1.00 0.00 H new ATOM 0 HG LEU A 94 -5.172 3.196 5.944 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -2.630 2.859 6.053 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -3.283 2.452 4.449 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -2.464 4.010 4.706 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -3.719 4.377 7.512 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -3.509 5.677 6.314 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -5.122 5.338 6.987 1.00 0.00 H new ATOM 1504 N ILE A 95 -6.250 5.983 1.934 1.00 0.00 N ATOM 1505 CA ILE A 95 -6.434 6.102 0.490 1.00 0.00 C ATOM 1506 C ILE A 95 -6.680 7.570 0.101 1.00 0.00 C ATOM 1507 O ILE A 95 -7.097 7.869 -1.023 1.00 0.00 O ATOM 1508 CB ILE A 95 -7.529 5.127 -0.001 1.00 0.00 C ATOM 1509 CG1 ILE A 95 -7.425 3.731 0.650 1.00 0.00 C ATOM 1510 CG2 ILE A 95 -7.492 4.966 -1.533 1.00 0.00 C ATOM 1511 CD1 ILE A 95 -6.073 3.046 0.436 1.00 0.00 C ATOM 0 H ILE A 95 -7.090 5.685 2.430 1.00 0.00 H new ATOM 0 HA ILE A 95 -5.521 5.804 -0.025 1.00 0.00 H new ATOM 0 HB ILE A 95 -8.476 5.575 0.301 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -7.608 3.826 1.720 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -8.212 3.094 0.247 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -8.274 4.274 -1.845 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -7.655 5.935 -2.005 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -6.520 4.575 -1.834 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -6.078 2.071 0.923 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -5.895 2.918 -0.632 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -5.282 3.661 0.864 1.00 0.00 H new ATOM 1523 N ALA A 96 -6.375 8.500 1.013 1.00 0.00 N ATOM 1524 CA ALA A 96 -6.286 9.918 0.740 1.00 0.00 C ATOM 1525 C ALA A 96 -4.823 10.357 0.897 1.00 0.00 C ATOM 1526 O ALA A 96 -4.346 11.175 0.114 1.00 0.00 O ATOM 1527 CB ALA A 96 -7.264 10.656 1.656 1.00 0.00 C ATOM 0 H ALA A 96 -6.180 8.268 1.987 1.00 0.00 H new ATOM 0 HA ALA A 96 -6.575 10.161 -0.282 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -7.208 11.727 1.461 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -8.278 10.305 1.464 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -7.004 10.463 2.697 1.00 0.00 H new ATOM 1533 N TYR A 97 -4.073 9.771 1.844 1.00 0.00 N ATOM 1534 CA TYR A 97 -2.643 10.013 1.959 1.00 0.00 C ATOM 1535 C TYR A 97 -1.913 9.493 0.736 1.00 0.00 C ATOM 1536 O TYR A 97 -1.186 10.243 0.102 1.00 0.00 O ATOM 1537 CB TYR A 97 -2.016 9.368 3.200 1.00 0.00 C ATOM 1538 CG TYR A 97 -0.479 9.363 3.192 1.00 0.00 C ATOM 1539 CD1 TYR A 97 0.227 10.451 2.644 1.00 0.00 C ATOM 1540 CD2 TYR A 97 0.253 8.249 3.649 1.00 0.00 C ATOM 1541 CE1 TYR A 97 1.628 10.433 2.547 1.00 0.00 C ATOM 1542 CE2 TYR A 97 1.660 8.224 3.541 1.00 0.00 C ATOM 1543 CZ TYR A 97 2.350 9.311 2.979 1.00 0.00 C ATOM 1544 OH TYR A 97 3.707 9.298 2.823 1.00 0.00 O ATOM 0 H TYR A 97 -4.444 9.124 2.540 1.00 0.00 H new ATOM 0 HA TYR A 97 -2.536 11.094 2.047 1.00 0.00 H new ATOM 0 HB2 TYR A 97 -2.363 9.898 4.087 1.00 0.00 H new ATOM 0 HB3 TYR A 97 -2.372 8.341 3.283 1.00 0.00 H new ATOM 0 HD1 TYR A 97 -0.318 11.314 2.292 1.00 0.00 H new ATOM 0 HD2 TYR A 97 -0.266 7.408 4.085 1.00 0.00 H new ATOM 0 HE1 TYR A 97 2.151 11.285 2.139 1.00 0.00 H new ATOM 0 HE2 TYR A 97 2.210 7.364 3.893 1.00 0.00 H new ATOM 0 HH TYR A 97 4.061 8.431 3.111 1.00 0.00 H new ATOM 1554 N LEU A 98 -2.021 8.206 0.416 1.00 0.00 N ATOM 1555 CA LEU A 98 -1.153 7.661 -0.629 1.00 0.00 C ATOM 1556 C LEU A 98 -1.388 8.361 -1.974 1.00 0.00 C ATOM 1557 O LEU A 98 -0.496 8.445 -2.820 1.00 0.00 O ATOM 1558 CB LEU A 98 -1.295 6.141 -0.703 1.00 0.00 C ATOM 1559 CG LEU A 98 -0.973 5.470 0.642 1.00 0.00 C ATOM 1560 CD1 LEU A 98 -1.182 3.954 0.517 1.00 0.00 C ATOM 1561 CD2 LEU A 98 0.452 5.775 1.124 1.00 0.00 C ATOM 0 H LEU A 98 -2.670 7.544 0.842 1.00 0.00 H new ATOM 0 HA LEU A 98 -0.115 7.866 -0.368 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -2.311 5.885 -1.002 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -0.629 5.751 -1.472 1.00 0.00 H new ATOM 0 HG LEU A 98 -1.652 5.880 1.390 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -0.954 3.476 1.470 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -2.218 3.751 0.247 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -0.522 3.558 -0.255 1.00 0.00 H new ATOM 0 HD21 LEU A 98 0.628 5.277 2.078 1.00 0.00 H new ATOM 0 HD22 LEU A 98 1.170 5.413 0.388 1.00 0.00 H new ATOM 0 HD23 LEU A 98 0.571 6.851 1.249 1.00 0.00 H new ATOM 1573 N LYS A 99 -2.584 8.930 -2.117 1.00 0.00 N ATOM 1574 CA LYS A 99 -3.041 9.658 -3.285 1.00 0.00 C ATOM 1575 C LYS A 99 -2.324 11.004 -3.455 1.00 0.00 C ATOM 1576 O LYS A 99 -2.365 11.582 -4.538 1.00 0.00 O ATOM 1577 CB LYS A 99 -4.548 9.846 -3.113 1.00 0.00 C ATOM 1578 CG LYS A 99 -5.254 10.188 -4.425 1.00 0.00 C ATOM 1579 CD LYS A 99 -6.761 10.240 -4.153 1.00 0.00 C ATOM 1580 CE LYS A 99 -7.341 8.820 -4.168 1.00 0.00 C ATOM 1581 NZ LYS A 99 -8.477 8.658 -3.243 1.00 0.00 N ATOM 0 H LYS A 99 -3.290 8.890 -1.382 1.00 0.00 H new ATOM 0 HA LYS A 99 -2.812 9.098 -4.192 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -4.979 8.934 -2.700 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -4.731 10.640 -2.389 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -4.903 11.146 -4.808 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -5.030 9.439 -5.185 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -6.950 10.710 -3.188 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -7.255 10.852 -4.907 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -7.664 8.575 -5.180 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -6.558 8.110 -3.903 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -9.249 8.155 -3.726 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -8.173 8.111 -2.412 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -8.812 9.594 -2.937 1.00 0.00 H new ATOM 1595 N LYS A 100 -1.672 11.494 -2.397 1.00 0.00 N ATOM 1596 CA LYS A 100 -0.823 12.672 -2.395 1.00 0.00 C ATOM 1597 C LYS A 100 0.638 12.242 -2.289 1.00 0.00 C ATOM 1598 O LYS A 100 1.466 12.913 -2.878 1.00 0.00 O ATOM 1599 CB LYS A 100 -1.246 13.697 -1.321 1.00 0.00 C ATOM 1600 CG LYS A 100 -0.576 13.519 0.051 1.00 0.00 C ATOM 1601 CD LYS A 100 -1.161 14.449 1.123 1.00 0.00 C ATOM 1602 CE LYS A 100 -0.274 15.679 1.355 1.00 0.00 C ATOM 1603 NZ LYS A 100 -0.862 16.655 2.297 1.00 0.00 N ATOM 0 H LYS A 100 -1.729 11.054 -1.479 1.00 0.00 H new ATOM 0 HA LYS A 100 -0.945 13.202 -3.339 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -1.023 14.698 -1.689 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -2.327 13.638 -1.191 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -0.688 12.484 0.374 1.00 0.00 H new ATOM 0 HG3 LYS A 100 0.493 13.709 -0.044 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -2.157 14.771 0.820 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -1.274 13.900 2.058 1.00 0.00 H new ATOM 0 HE2 LYS A 100 0.694 15.354 1.737 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -0.091 16.171 0.400 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -0.215 17.461 2.410 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -1.773 16.992 1.924 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -1.013 16.200 3.220 1.00 0.00 H new ATOM 1617 N ALA A 101 0.964 11.141 -1.590 1.00 0.00 N ATOM 1618 CA ALA A 101 2.313 10.587 -1.473 1.00 0.00 C ATOM 1619 C ALA A 101 2.958 10.427 -2.843 1.00 0.00 C ATOM 1620 O ALA A 101 4.095 10.843 -3.053 1.00 0.00 O ATOM 1621 CB ALA A 101 2.277 9.233 -0.758 1.00 0.00 C ATOM 0 H ALA A 101 0.269 10.599 -1.076 1.00 0.00 H new ATOM 0 HA ALA A 101 2.910 11.285 -0.886 1.00 0.00 H new ATOM 0 HB1 ALA A 101 3.289 8.836 -0.680 1.00 0.00 H new ATOM 0 HB2 ALA A 101 1.859 9.360 0.241 1.00 0.00 H new ATOM 0 HB3 ALA A 101 1.657 8.538 -1.325 1.00 0.00 H new ATOM 1627 N THR A 102 2.194 9.860 -3.783 1.00 0.00 N ATOM 1628 CA THR A 102 2.575 9.733 -5.189 1.00 0.00 C ATOM 1629 C THR A 102 3.123 11.032 -5.795 1.00 0.00 C ATOM 1630 O THR A 102 3.764 10.980 -6.844 1.00 0.00 O ATOM 1631 CB THR A 102 1.368 9.241 -6.002 1.00 0.00 C ATOM 1632 OG1 THR A 102 1.720 9.024 -7.355 1.00 0.00 O ATOM 1633 CG2 THR A 102 0.184 10.209 -5.949 1.00 0.00 C ATOM 0 H THR A 102 1.274 9.469 -3.580 1.00 0.00 H new ATOM 0 HA THR A 102 3.389 9.009 -5.233 1.00 0.00 H new ATOM 0 HB THR A 102 1.062 8.302 -5.541 1.00 0.00 H new ATOM 0 HG1 THR A 102 1.893 8.070 -7.499 1.00 0.00 H new ATOM 0 HG21 THR A 102 -0.639 9.810 -6.541 1.00 0.00 H new ATOM 0 HG22 THR A 102 -0.139 10.333 -4.915 1.00 0.00 H new ATOM 0 HG23 THR A 102 0.486 11.175 -6.353 1.00 0.00 H new ATOM 1641 N ASN A 103 2.801 12.180 -5.197 1.00 0.00 N ATOM 1642 CA ASN A 103 3.251 13.497 -5.615 1.00 0.00 C ATOM 1643 C ASN A 103 3.548 14.410 -4.410 1.00 0.00 C ATOM 1644 O ASN A 103 3.292 15.610 -4.490 1.00 0.00 O ATOM 1645 CB ASN A 103 2.170 14.084 -6.538 1.00 0.00 C ATOM 1646 CG ASN A 103 2.633 15.314 -7.313 1.00 0.00 C ATOM 1647 OD1 ASN A 103 2.001 16.365 -7.269 1.00 0.00 O ATOM 1648 ND2 ASN A 103 3.703 15.178 -8.091 1.00 0.00 N ATOM 0 H ASN A 103 2.196 12.213 -4.377 1.00 0.00 H new ATOM 0 HA ASN A 103 4.194 13.419 -6.155 1.00 0.00 H new ATOM 0 HB2 ASN A 103 1.852 13.318 -7.245 1.00 0.00 H new ATOM 0 HB3 ASN A 103 1.298 14.348 -5.940 1.00 0.00 H new ATOM 0 HD21 ASN A 103 4.016 15.958 -8.669 1.00 0.00 H new ATOM 0 HD22 ASN A 103 4.211 14.294 -8.109 1.00 0.00 H new ATOM 1655 N GLU A 104 4.084 13.857 -3.312 1.00 0.00 N ATOM 1656 CA GLU A 104 4.688 14.658 -2.245 1.00 0.00 C ATOM 1657 C GLU A 104 6.111 15.036 -2.681 1.00 0.00 C ATOM 1658 O GLU A 104 6.631 14.368 -3.605 1.00 0.00 O ATOM 1659 CB GLU A 104 4.723 13.880 -0.913 1.00 0.00 C ATOM 1660 CG GLU A 104 3.389 13.791 -0.152 1.00 0.00 C ATOM 1661 CD GLU A 104 3.010 15.021 0.669 1.00 0.00 C ATOM 1662 OE1 GLU A 104 2.450 15.970 0.081 1.00 0.00 O ATOM 1663 OE2 GLU A 104 3.145 14.945 1.912 1.00 0.00 O ATOM 1664 OXT GLU A 104 6.669 15.974 -2.071 1.00 0.00 O ATOM 0 H GLU A 104 4.110 12.852 -3.142 1.00 0.00 H new ATOM 0 HA GLU A 104 4.090 15.554 -2.079 1.00 0.00 H new ATOM 0 HB2 GLU A 104 5.072 12.867 -1.115 1.00 0.00 H new ATOM 0 HB3 GLU A 104 5.461 14.347 -0.261 1.00 0.00 H new ATOM 0 HG2 GLU A 104 2.594 13.599 -0.872 1.00 0.00 H new ATOM 0 HG3 GLU A 104 3.430 12.930 0.515 1.00 0.00 H new TER 1671 GLU A 104 HETATM 1672 FE HEC A 105 1.896 -3.413 2.556 1.00 0.00 FE HETATM 1673 CHA HEC A 105 2.721 -4.653 -0.650 1.00 0.00 C HETATM 1674 CHB HEC A 105 0.111 -0.881 1.202 1.00 0.00 C HETATM 1675 CHC HEC A 105 1.077 -2.528 5.746 1.00 0.00 C HETATM 1676 CHD HEC A 105 3.997 -5.918 3.887 1.00 0.00 C HETATM 1677 NA HEC A 105 1.420 -2.907 0.615 1.00 0.00 N HETATM 1678 C1A HEC A 105 1.863 -3.536 -0.528 1.00 0.00 C HETATM 1679 C2A HEC A 105 1.347 -2.774 -1.647 1.00 0.00 C HETATM 1680 C3A HEC A 105 0.602 -1.728 -1.137 1.00 0.00 C HETATM 1681 C4A HEC A 105 0.687 -1.799 0.306 1.00 0.00 C HETATM 1682 CMA HEC A 105 -0.207 -0.721 -1.929 1.00 0.00 C HETATM 1683 CAA HEC A 105 1.605 -3.080 -3.108 1.00 0.00 C HETATM 1684 CBA HEC A 105 2.574 -2.165 -3.876 1.00 0.00 C HETATM 1685 CGA HEC A 105 3.863 -1.757 -3.181 1.00 0.00 C HETATM 1686 O1A HEC A 105 4.622 -1.019 -3.844 1.00 0.00 O HETATM 1687 O2A HEC A 105 4.071 -2.153 -2.017 1.00 0.00 O HETATM 1688 NB HEC A 105 0.812 -1.964 3.337 1.00 0.00 N HETATM 1689 C1B HEC A 105 0.177 -1.011 2.604 1.00 0.00 C HETATM 1690 C2B HEC A 105 -0.413 -0.093 3.550 1.00 0.00 C HETATM 1691 C3B HEC A 105 -0.225 -0.609 4.820 1.00 0.00 C HETATM 1692 C4B HEC A 105 0.604 -1.775 4.673 1.00 0.00 C HETATM 1693 CMB HEC A 105 -1.006 1.238 3.185 1.00 0.00 C HETATM 1694 CAB HEC A 105 -0.833 -0.154 6.139 1.00 0.00 C HETATM 1695 CBB HEC A 105 -2.362 -0.098 6.100 1.00 0.00 C HETATM 1696 NC HEC A 105 2.398 -4.131 4.462 1.00 0.00 N HETATM 1697 C1C HEC A 105 1.936 -3.589 5.604 1.00 0.00 C HETATM 1698 C2C HEC A 105 2.532 -4.286 6.713 1.00 0.00 C HETATM 1699 C3C HEC A 105 3.455 -5.157 6.187 1.00 0.00 C HETATM 1700 C4C HEC A 105 3.282 -5.121 4.755 1.00 0.00 C HETATM 1701 CMC HEC A 105 2.268 -3.994 8.166 1.00 0.00 C HETATM 1702 CAC HEC A 105 4.638 -5.784 6.895 1.00 0.00 C HETATM 1703 CBC HEC A 105 4.299 -7.004 7.751 1.00 0.00 C HETATM 1704 ND HEC A 105 3.134 -5.009 1.763 1.00 0.00 N HETATM 1705 C1D HEC A 105 3.894 -5.844 2.520 1.00 0.00 C HETATM 1706 C2D HEC A 105 4.664 -6.679 1.641 1.00 0.00 C HETATM 1707 C3D HEC A 105 4.282 -6.379 0.361 1.00 0.00 C HETATM 1708 C4D HEC A 105 3.318 -5.293 0.437 1.00 0.00 C HETATM 1709 CMD HEC A 105 5.781 -7.615 2.045 1.00 0.00 C HETATM 1710 CAD HEC A 105 4.830 -7.115 -0.839 1.00 0.00 C HETATM 1711 CBD HEC A 105 4.370 -8.582 -0.867 1.00 0.00 C HETATM 1712 CGD HEC A 105 3.044 -8.794 -1.562 1.00 0.00 C HETATM 1713 O1D HEC A 105 2.646 -9.974 -1.695 1.00 0.00 O HETATM 1714 O2D HEC A 105 2.404 -7.779 -1.891 1.00 0.00 O HETATM 0 HMD3 HEC A 105 6.577 -7.046 2.526 1.00 0.00 H new HETATM 0 HMD2 HEC A 105 5.397 -8.361 2.741 1.00 0.00 H new HETATM 0 HMD1 HEC A 105 6.175 -8.114 1.160 1.00 0.00 H new HETATM 0 HMC3 HEC A 105 2.552 -2.965 8.388 1.00 0.00 H new HETATM 0 HMC2 HEC A 105 1.208 -4.131 8.378 1.00 0.00 H new HETATM 0 HMC1 HEC A 105 2.853 -4.674 8.786 1.00 0.00 H new HETATM 0 HMB3 HEC A 105 -0.241 1.863 2.723 1.00 0.00 H new HETATM 0 HMB2 HEC A 105 -1.827 1.090 2.483 1.00 0.00 H new HETATM 0 HMB1 HEC A 105 -1.381 1.728 4.084 1.00 0.00 H new HETATM 0 HMA3 HEC A 105 0.451 -0.178 -2.607 1.00 0.00 H new HETATM 0 HMA2 HEC A 105 -0.972 -1.241 -2.505 1.00 0.00 H new HETATM 0 HMA1 HEC A 105 -0.683 -0.018 -1.245 1.00 0.00 H new HETATM 0 HBD2 HEC A 105 5.131 -9.182 -1.366 1.00 0.00 H new HETATM 0 HBD1 HEC A 105 4.296 -8.949 0.157 1.00 0.00 H new HETATM 0 HBC3 HEC A 105 3.585 -6.719 8.524 1.00 0.00 H new HETATM 0 HBC2 HEC A 105 3.862 -7.780 7.122 1.00 0.00 H new HETATM 0 HBC1 HEC A 105 5.207 -7.384 8.218 1.00 0.00 H new HETATM 0 HBB3 HEC A 105 -2.681 0.602 5.328 1.00 0.00 H new HETATM 0 HBB2 HEC A 105 -2.757 -1.089 5.876 1.00 0.00 H new HETATM 0 HBB1 HEC A 105 -2.739 0.233 7.068 1.00 0.00 H new HETATM 0 HBA2 HEC A 105 2.839 -2.665 -4.808 1.00 0.00 H new HETATM 0 HBA1 HEC A 105 2.035 -1.256 -4.144 1.00 0.00 H new HETATM 0 HAD2 HEC A 105 4.506 -6.615 -1.752 1.00 0.00 H new HETATM 0 HAD1 HEC A 105 5.919 -7.076 -0.824 1.00 0.00 H new HETATM 0 HAA2 HEC A 105 1.985 -4.099 -3.174 1.00 0.00 H new HETATM 0 HAA1 HEC A 105 0.647 -3.063 -3.627 1.00 0.00 H new HETATM 0 HHD HEC A 105 4.685 -6.650 4.311 1.00 0.00 H new HETATM 0 HHC HEC A 105 0.748 -2.260 6.750 1.00 0.00 H new HETATM 0 HHB HEC A 105 -0.416 -0.021 0.789 1.00 0.00 H new HETATM 0 HHA HEC A 105 2.928 -5.036 -1.649 1.00 0.00 H new HETATM 0 H2A HEC A 105 4.787 -1.619 -1.613 1.00 0.00 H new