USER MOD reduce.3.24.130724 H: found=0, std=0, add=788, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 788 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 86 HIS : no HD1:sc= -0.641 X(o=-0.67,f=-1) USER MOD Set 1.2: A 87 SER OG : rot 180:sc= -0.0247 USER MOD Set 2.1: A 3 THR OG1 : rot 101:sc= 0.901 USER MOD Set 2.2: A 77 THR OG1 : rot 180:sc= 0.738 USER MOD Set 3.1: A 59 CYS SG : rot 156:sc= 0.198 USER MOD Set 3.2: A 69 TYR OH : rot 98:sc= 0.0529 USER MOD Set 4.1: A 36 THR OG1 : rot -12:sc= -0.605 USER MOD Set 4.2: A 38 GLN : amide:sc= -0.0368 X(o=-0.64,f=-1) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 SER OG : rot 180:sc= 0.178 USER MOD Single : A 8 LYS NZ :NH3+ -149:sc= -0.324 (180deg=-1.32!) USER MOD Single : A 9 LYS NZ :NH3+ 147:sc= -0.202 (180deg=-1.1) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 ASN : amide:sc= -0.0707 K(o=-0.071,f=-1.1) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 HIS : no HD1:sc= -1.06 K(o=-1.1,f=-0.43) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ 167:sc= -0.15 (180deg=-0.482) USER MOD Single : A 60 HIS : no HD1:sc= -4.7 K(o=-4.7,f=-2.9) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 GLN : amide:sc= -0.175 X(o=-0.18,f=-0.18) USER MOD Single : A 72 LYS NZ :NH3+ 140:sc= -0.195 (180deg=-2.32!) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 76 ASN : amide:sc= 0 K(o=0,f=-0.64) USER MOD Single : A 85 SER OG : rot 154:sc= 0.00735 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -0.126 -6.496 14.259 1.00 0.00 N ATOM 2 CA MET A 1 1.304 -6.125 14.092 1.00 0.00 C ATOM 3 C MET A 1 1.925 -6.846 12.903 1.00 0.00 C ATOM 4 O MET A 1 2.073 -8.069 12.913 1.00 0.00 O ATOM 5 CB MET A 1 2.051 -6.481 15.378 1.00 0.00 C ATOM 6 CG MET A 1 2.220 -5.308 16.330 1.00 0.00 C ATOM 7 SD MET A 1 2.036 -5.783 18.059 1.00 0.00 S ATOM 8 CE MET A 1 0.255 -5.734 18.238 1.00 0.00 C ATOM 0 H1 MET A 1 -0.523 -5.990 15.076 1.00 0.00 H new ATOM 0 H2 MET A 1 -0.654 -6.237 13.401 1.00 0.00 H new ATOM 0 H3 MET A 1 -0.203 -7.521 14.416 1.00 0.00 H new ATOM 0 HA MET A 1 1.377 -5.055 13.899 1.00 0.00 H new ATOM 0 HB2 MET A 1 1.514 -7.279 15.891 1.00 0.00 H new ATOM 0 HB3 MET A 1 3.035 -6.873 15.120 1.00 0.00 H new ATOM 0 HG2 MET A 1 3.205 -4.864 16.182 1.00 0.00 H new ATOM 0 HG3 MET A 1 1.485 -4.540 16.088 1.00 0.00 H new ATOM 0 HE1 MET A 1 -0.016 -6.005 19.258 1.00 0.00 H new ATOM 0 HE2 MET A 1 -0.105 -4.728 18.022 1.00 0.00 H new ATOM 0 HE3 MET A 1 -0.200 -6.439 17.542 1.00 0.00 H new ATOM 20 N LEU A 2 2.290 -6.082 11.879 1.00 0.00 N ATOM 21 CA LEU A 2 2.899 -6.649 10.681 1.00 0.00 C ATOM 22 C LEU A 2 4.141 -5.864 10.279 1.00 0.00 C ATOM 23 O LEU A 2 4.122 -4.634 10.230 1.00 0.00 O ATOM 24 CB LEU A 2 1.891 -6.657 9.528 1.00 0.00 C ATOM 25 CG LEU A 2 0.494 -7.162 9.892 1.00 0.00 C ATOM 26 CD1 LEU A 2 -0.572 -6.343 9.182 1.00 0.00 C ATOM 27 CD2 LEU A 2 0.355 -8.636 9.547 1.00 0.00 C ATOM 0 H LEU A 2 2.175 -5.069 11.854 1.00 0.00 H new ATOM 0 HA LEU A 2 3.196 -7.674 10.904 1.00 0.00 H new ATOM 0 HB2 LEU A 2 1.803 -5.644 9.135 1.00 0.00 H new ATOM 0 HB3 LEU A 2 2.287 -7.277 8.724 1.00 0.00 H new ATOM 0 HG LEU A 2 0.355 -7.046 10.967 1.00 0.00 H new ATOM 0 HD11 LEU A 2 -1.559 -6.717 9.453 1.00 0.00 H new ATOM 0 HD12 LEU A 2 -0.486 -5.298 9.479 1.00 0.00 H new ATOM 0 HD13 LEU A 2 -0.436 -6.426 8.104 1.00 0.00 H new ATOM 0 HD21 LEU A 2 -0.645 -8.979 9.812 1.00 0.00 H new ATOM 0 HD22 LEU A 2 0.515 -8.776 8.478 1.00 0.00 H new ATOM 0 HD23 LEU A 2 1.095 -9.211 10.103 1.00 0.00 H new ATOM 39 N THR A 3 5.222 -6.582 9.990 1.00 0.00 N ATOM 40 CA THR A 3 6.475 -5.949 9.592 1.00 0.00 C ATOM 41 C THR A 3 6.286 -5.128 8.322 1.00 0.00 C ATOM 42 O THR A 3 5.172 -4.994 7.816 1.00 0.00 O ATOM 43 CB THR A 3 7.559 -7.005 9.371 1.00 0.00 C ATOM 44 OG1 THR A 3 7.195 -8.235 9.970 1.00 0.00 O ATOM 45 CG2 THR A 3 8.908 -6.603 9.932 1.00 0.00 C ATOM 0 H THR A 3 5.256 -7.601 10.024 1.00 0.00 H new ATOM 0 HA THR A 3 6.787 -5.282 10.395 1.00 0.00 H new ATOM 0 HB THR A 3 7.646 -7.105 8.289 1.00 0.00 H new ATOM 0 HG1 THR A 3 6.862 -8.848 9.282 1.00 0.00 H new ATOM 0 HG21 THR A 3 9.632 -7.395 9.742 1.00 0.00 H new ATOM 0 HG22 THR A 3 9.242 -5.683 9.452 1.00 0.00 H new ATOM 0 HG23 THR A 3 8.822 -6.441 11.006 1.00 0.00 H new ATOM 53 N ILE A 4 7.383 -4.580 7.812 1.00 0.00 N ATOM 54 CA ILE A 4 7.342 -3.773 6.602 1.00 0.00 C ATOM 55 C ILE A 4 8.429 -4.199 5.622 1.00 0.00 C ATOM 56 O ILE A 4 9.620 -4.114 5.924 1.00 0.00 O ATOM 57 CB ILE A 4 7.509 -2.277 6.924 1.00 0.00 C ATOM 58 CG1 ILE A 4 6.498 -1.845 7.990 1.00 0.00 C ATOM 59 CG2 ILE A 4 7.346 -1.445 5.664 1.00 0.00 C ATOM 60 CD1 ILE A 4 7.055 -1.872 9.397 1.00 0.00 C ATOM 0 H ILE A 4 8.312 -4.681 8.220 1.00 0.00 H new ATOM 0 HA ILE A 4 6.365 -3.931 6.145 1.00 0.00 H new ATOM 0 HB ILE A 4 8.513 -2.114 7.317 1.00 0.00 H new ATOM 0 HG12 ILE A 4 6.152 -0.836 7.764 1.00 0.00 H new ATOM 0 HG13 ILE A 4 5.627 -2.499 7.940 1.00 0.00 H new ATOM 0 HG21 ILE A 4 7.467 -0.389 5.907 1.00 0.00 H new ATOM 0 HG22 ILE A 4 8.101 -1.738 4.934 1.00 0.00 H new ATOM 0 HG23 ILE A 4 6.353 -1.610 5.245 1.00 0.00 H new ATOM 0 HD11 ILE A 4 6.284 -1.554 10.100 1.00 0.00 H new ATOM 0 HD12 ILE A 4 7.375 -2.885 9.642 1.00 0.00 H new ATOM 0 HD13 ILE A 4 7.908 -1.196 9.464 1.00 0.00 H new ATOM 72 N GLU A 5 8.013 -4.657 4.446 1.00 0.00 N ATOM 73 CA GLU A 5 8.951 -5.096 3.419 1.00 0.00 C ATOM 74 C GLU A 5 8.933 -4.148 2.225 1.00 0.00 C ATOM 75 O GLU A 5 8.057 -3.292 2.114 1.00 0.00 O ATOM 76 CB GLU A 5 8.614 -6.518 2.966 1.00 0.00 C ATOM 77 CG GLU A 5 9.388 -7.593 3.711 1.00 0.00 C ATOM 78 CD GLU A 5 10.872 -7.562 3.404 1.00 0.00 C ATOM 79 OE1 GLU A 5 11.562 -6.646 3.901 1.00 0.00 O ATOM 80 OE2 GLU A 5 11.346 -8.453 2.668 1.00 0.00 O ATOM 0 H GLU A 5 7.031 -4.734 4.180 1.00 0.00 H new ATOM 0 HA GLU A 5 9.953 -5.088 3.848 1.00 0.00 H new ATOM 0 HB2 GLU A 5 7.546 -6.690 3.102 1.00 0.00 H new ATOM 0 HB3 GLU A 5 8.818 -6.609 1.899 1.00 0.00 H new ATOM 0 HG2 GLU A 5 9.240 -7.465 4.783 1.00 0.00 H new ATOM 0 HG3 GLU A 5 8.987 -8.572 3.449 1.00 0.00 H new ATOM 87 N THR A 6 9.905 -4.308 1.333 1.00 0.00 N ATOM 88 CA THR A 6 10.000 -3.465 0.147 1.00 0.00 C ATOM 89 C THR A 6 10.488 -4.266 -1.055 1.00 0.00 C ATOM 90 O THR A 6 11.261 -5.213 -0.911 1.00 0.00 O ATOM 91 CB THR A 6 10.941 -2.289 0.405 1.00 0.00 C ATOM 92 OG1 THR A 6 12.259 -2.746 0.654 1.00 0.00 O ATOM 93 CG2 THR A 6 10.522 -1.434 1.582 1.00 0.00 C ATOM 0 H THR A 6 10.638 -5.013 1.409 1.00 0.00 H new ATOM 0 HA THR A 6 9.004 -3.083 -0.075 1.00 0.00 H new ATOM 0 HB THR A 6 10.898 -1.681 -0.499 1.00 0.00 H new ATOM 0 HG1 THR A 6 12.846 -1.978 0.815 1.00 0.00 H new ATOM 0 HG21 THR A 6 11.233 -0.617 1.710 1.00 0.00 H new ATOM 0 HG22 THR A 6 9.528 -1.025 1.399 1.00 0.00 H new ATOM 0 HG23 THR A 6 10.503 -2.043 2.486 1.00 0.00 H new ATOM 101 N SER A 7 10.030 -3.879 -2.243 1.00 0.00 N ATOM 102 CA SER A 7 10.417 -4.559 -3.471 1.00 0.00 C ATOM 103 C SER A 7 11.331 -3.677 -4.317 1.00 0.00 C ATOM 104 O SER A 7 11.778 -2.620 -3.870 1.00 0.00 O ATOM 105 CB SER A 7 9.176 -4.947 -4.278 1.00 0.00 C ATOM 106 OG SER A 7 8.746 -3.878 -5.105 1.00 0.00 O ATOM 0 H SER A 7 9.390 -3.097 -2.379 1.00 0.00 H new ATOM 0 HA SER A 7 10.963 -5.463 -3.199 1.00 0.00 H new ATOM 0 HB2 SER A 7 9.397 -5.819 -4.893 1.00 0.00 H new ATOM 0 HB3 SER A 7 8.372 -5.231 -3.599 1.00 0.00 H new ATOM 0 HG SER A 7 7.953 -4.154 -5.610 1.00 0.00 H new ATOM 112 N LYS A 8 11.601 -4.116 -5.542 1.00 0.00 N ATOM 113 CA LYS A 8 12.456 -3.365 -6.452 1.00 0.00 C ATOM 114 C LYS A 8 11.679 -2.226 -7.104 1.00 0.00 C ATOM 115 O LYS A 8 12.230 -1.159 -7.376 1.00 0.00 O ATOM 116 CB LYS A 8 13.030 -4.287 -7.528 1.00 0.00 C ATOM 117 CG LYS A 8 13.799 -5.472 -6.968 1.00 0.00 C ATOM 118 CD LYS A 8 15.229 -5.094 -6.621 1.00 0.00 C ATOM 119 CE LYS A 8 16.194 -5.488 -7.730 1.00 0.00 C ATOM 120 NZ LYS A 8 16.080 -6.930 -8.080 1.00 0.00 N ATOM 0 H LYS A 8 11.239 -4.989 -5.927 1.00 0.00 H new ATOM 0 HA LYS A 8 13.278 -2.941 -5.874 1.00 0.00 H new ATOM 0 HB2 LYS A 8 12.215 -4.655 -8.151 1.00 0.00 H new ATOM 0 HB3 LYS A 8 13.690 -3.709 -8.175 1.00 0.00 H new ATOM 0 HG2 LYS A 8 13.294 -5.847 -6.077 1.00 0.00 H new ATOM 0 HG3 LYS A 8 13.802 -6.282 -7.697 1.00 0.00 H new ATOM 0 HD2 LYS A 8 15.291 -4.020 -6.448 1.00 0.00 H new ATOM 0 HD3 LYS A 8 15.521 -5.584 -5.692 1.00 0.00 H new ATOM 0 HE2 LYS A 8 15.996 -4.883 -8.615 1.00 0.00 H new ATOM 0 HE3 LYS A 8 17.215 -5.270 -7.417 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 17.005 -7.285 -8.397 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 15.771 -7.467 -7.244 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 15.384 -7.048 -8.844 1.00 0.00 H new ATOM 134 N LYS A 9 10.395 -2.462 -7.351 1.00 0.00 N ATOM 135 CA LYS A 9 9.538 -1.459 -7.971 1.00 0.00 C ATOM 136 C LYS A 9 9.063 -0.436 -6.942 1.00 0.00 C ATOM 137 O LYS A 9 8.762 0.708 -7.284 1.00 0.00 O ATOM 138 CB LYS A 9 8.332 -2.128 -8.635 1.00 0.00 C ATOM 139 CG LYS A 9 8.712 -3.190 -9.653 1.00 0.00 C ATOM 140 CD LYS A 9 7.735 -4.356 -9.634 1.00 0.00 C ATOM 141 CE LYS A 9 8.455 -5.689 -9.759 1.00 0.00 C ATOM 142 NZ LYS A 9 9.483 -5.868 -8.696 1.00 0.00 N ATOM 0 H LYS A 9 9.925 -3.340 -7.131 1.00 0.00 H new ATOM 0 HA LYS A 9 10.122 -0.939 -8.731 1.00 0.00 H new ATOM 0 HB2 LYS A 9 7.708 -2.581 -7.865 1.00 0.00 H new ATOM 0 HB3 LYS A 9 7.728 -1.365 -9.126 1.00 0.00 H new ATOM 0 HG2 LYS A 9 8.734 -2.749 -10.649 1.00 0.00 H new ATOM 0 HG3 LYS A 9 9.718 -3.553 -9.443 1.00 0.00 H new ATOM 0 HD2 LYS A 9 7.162 -4.337 -8.707 1.00 0.00 H new ATOM 0 HD3 LYS A 9 7.022 -4.248 -10.452 1.00 0.00 H new ATOM 0 HE2 LYS A 9 7.729 -6.500 -9.702 1.00 0.00 H new ATOM 0 HE3 LYS A 9 8.930 -5.754 -10.738 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 9.548 -6.874 -8.442 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 10.405 -5.539 -9.046 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 9.214 -5.316 -7.857 1.00 0.00 H new ATOM 156 N PHE A 10 8.999 -0.854 -5.683 1.00 0.00 N ATOM 157 CA PHE A 10 8.560 0.026 -4.606 1.00 0.00 C ATOM 158 C PHE A 10 9.620 1.079 -4.296 1.00 0.00 C ATOM 159 O PHE A 10 9.299 2.193 -3.879 1.00 0.00 O ATOM 160 CB PHE A 10 8.254 -0.789 -3.348 1.00 0.00 C ATOM 161 CG PHE A 10 7.770 0.044 -2.194 1.00 0.00 C ATOM 162 CD1 PHE A 10 6.673 0.878 -2.337 1.00 0.00 C ATOM 163 CD2 PHE A 10 8.413 -0.009 -0.969 1.00 0.00 C ATOM 164 CE1 PHE A 10 6.225 1.646 -1.279 1.00 0.00 C ATOM 165 CE2 PHE A 10 7.970 0.756 0.095 1.00 0.00 C ATOM 166 CZ PHE A 10 6.875 1.584 -0.060 1.00 0.00 C ATOM 0 H PHE A 10 9.246 -1.797 -5.383 1.00 0.00 H new ATOM 0 HA PHE A 10 7.653 0.534 -4.933 1.00 0.00 H new ATOM 0 HB2 PHE A 10 7.499 -1.539 -3.586 1.00 0.00 H new ATOM 0 HB3 PHE A 10 9.153 -1.326 -3.046 1.00 0.00 H new ATOM 0 HD1 PHE A 10 6.162 0.929 -3.287 1.00 0.00 H new ATOM 0 HD2 PHE A 10 9.270 -0.655 -0.843 1.00 0.00 H new ATOM 0 HE1 PHE A 10 5.369 2.293 -1.404 1.00 0.00 H new ATOM 0 HE2 PHE A 10 8.480 0.706 1.046 1.00 0.00 H new ATOM 0 HZ PHE A 10 6.527 2.182 0.769 1.00 0.00 H new ATOM 176 N ASP A 11 10.884 0.720 -4.500 1.00 0.00 N ATOM 177 CA ASP A 11 11.991 1.632 -4.240 1.00 0.00 C ATOM 178 C ASP A 11 12.125 2.666 -5.354 1.00 0.00 C ATOM 179 O ASP A 11 12.405 3.836 -5.098 1.00 0.00 O ATOM 180 CB ASP A 11 13.297 0.852 -4.094 1.00 0.00 C ATOM 181 CG ASP A 11 14.217 1.453 -3.049 1.00 0.00 C ATOM 182 OD1 ASP A 11 13.830 1.476 -1.861 1.00 0.00 O ATOM 183 OD2 ASP A 11 15.323 1.899 -3.418 1.00 0.00 O ATOM 0 H ASP A 11 11.166 -0.197 -4.845 1.00 0.00 H new ATOM 0 HA ASP A 11 11.781 2.157 -3.308 1.00 0.00 H new ATOM 0 HB2 ASP A 11 13.072 -0.180 -3.825 1.00 0.00 H new ATOM 0 HB3 ASP A 11 13.811 0.827 -5.055 1.00 0.00 H new ATOM 188 N LYS A 12 11.926 2.225 -6.592 1.00 0.00 N ATOM 189 CA LYS A 12 12.030 3.113 -7.745 1.00 0.00 C ATOM 190 C LYS A 12 10.804 4.020 -7.864 1.00 0.00 C ATOM 191 O LYS A 12 10.815 4.991 -8.620 1.00 0.00 O ATOM 192 CB LYS A 12 12.199 2.298 -9.028 1.00 0.00 C ATOM 193 CG LYS A 12 10.988 1.444 -9.369 1.00 0.00 C ATOM 194 CD LYS A 12 11.328 0.380 -10.402 1.00 0.00 C ATOM 195 CE LYS A 12 11.724 0.998 -11.731 1.00 0.00 C ATOM 196 NZ LYS A 12 10.594 1.004 -12.702 1.00 0.00 N ATOM 0 H LYS A 12 11.692 1.259 -6.823 1.00 0.00 H new ATOM 0 HA LYS A 12 12.907 3.744 -7.600 1.00 0.00 H new ATOM 0 HB2 LYS A 12 12.399 2.977 -9.857 1.00 0.00 H new ATOM 0 HB3 LYS A 12 13.072 1.653 -8.927 1.00 0.00 H new ATOM 0 HG2 LYS A 12 10.612 0.967 -8.464 1.00 0.00 H new ATOM 0 HG3 LYS A 12 10.189 2.080 -9.750 1.00 0.00 H new ATOM 0 HD2 LYS A 12 12.144 -0.241 -10.031 1.00 0.00 H new ATOM 0 HD3 LYS A 12 10.469 -0.275 -10.546 1.00 0.00 H new ATOM 0 HE2 LYS A 12 12.067 2.020 -11.568 1.00 0.00 H new ATOM 0 HE3 LYS A 12 12.562 0.444 -12.153 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 10.907 1.434 -13.596 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 10.282 0.028 -12.878 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 9.803 1.555 -12.311 1.00 0.00 H new ATOM 210 N ASP A 13 9.750 3.700 -7.116 1.00 0.00 N ATOM 211 CA ASP A 13 8.525 4.494 -7.150 1.00 0.00 C ATOM 212 C ASP A 13 8.564 5.607 -6.107 1.00 0.00 C ATOM 213 O ASP A 13 7.999 6.681 -6.313 1.00 0.00 O ATOM 214 CB ASP A 13 7.308 3.598 -6.911 1.00 0.00 C ATOM 215 CG ASP A 13 6.099 4.041 -7.711 1.00 0.00 C ATOM 216 OD1 ASP A 13 6.003 5.247 -8.024 1.00 0.00 O ATOM 217 OD2 ASP A 13 5.248 3.183 -8.025 1.00 0.00 O ATOM 0 H ASP A 13 9.720 2.901 -6.483 1.00 0.00 H new ATOM 0 HA ASP A 13 8.446 4.951 -8.136 1.00 0.00 H new ATOM 0 HB2 ASP A 13 7.559 2.571 -7.175 1.00 0.00 H new ATOM 0 HB3 ASP A 13 7.060 3.602 -5.850 1.00 0.00 H new ATOM 222 N LEU A 14 9.228 5.342 -4.988 1.00 0.00 N ATOM 223 CA LEU A 14 9.335 6.322 -3.913 1.00 0.00 C ATOM 224 C LEU A 14 10.406 7.364 -4.222 1.00 0.00 C ATOM 225 O LEU A 14 10.227 8.551 -3.952 1.00 0.00 O ATOM 226 CB LEU A 14 9.651 5.623 -2.588 1.00 0.00 C ATOM 227 CG LEU A 14 8.868 6.140 -1.381 1.00 0.00 C ATOM 228 CD1 LEU A 14 7.457 5.573 -1.379 1.00 0.00 C ATOM 229 CD2 LEU A 14 9.589 5.787 -0.088 1.00 0.00 C ATOM 0 H LEU A 14 9.700 4.457 -4.801 1.00 0.00 H new ATOM 0 HA LEU A 14 8.376 6.834 -3.828 1.00 0.00 H new ATOM 0 HB2 LEU A 14 9.453 4.557 -2.701 1.00 0.00 H new ATOM 0 HB3 LEU A 14 10.716 5.730 -2.384 1.00 0.00 H new ATOM 0 HG LEU A 14 8.801 7.226 -1.452 1.00 0.00 H new ATOM 0 HD11 LEU A 14 6.914 5.951 -0.513 1.00 0.00 H new ATOM 0 HD12 LEU A 14 6.942 5.875 -2.291 1.00 0.00 H new ATOM 0 HD13 LEU A 14 7.502 4.485 -1.332 1.00 0.00 H new ATOM 0 HD21 LEU A 14 9.018 6.162 0.761 1.00 0.00 H new ATOM 0 HD22 LEU A 14 9.686 4.704 -0.010 1.00 0.00 H new ATOM 0 HD23 LEU A 14 10.580 6.241 -0.088 1.00 0.00 H new ATOM 241 N LYS A 15 11.522 6.911 -4.785 1.00 0.00 N ATOM 242 CA LYS A 15 12.624 7.805 -5.127 1.00 0.00 C ATOM 243 C LYS A 15 12.164 8.914 -6.073 1.00 0.00 C ATOM 244 O LYS A 15 12.783 9.976 -6.146 1.00 0.00 O ATOM 245 CB LYS A 15 13.771 7.017 -5.761 1.00 0.00 C ATOM 246 CG LYS A 15 13.424 6.416 -7.115 1.00 0.00 C ATOM 247 CD LYS A 15 14.658 5.871 -7.818 1.00 0.00 C ATOM 248 CE LYS A 15 14.877 6.542 -9.164 1.00 0.00 C ATOM 249 NZ LYS A 15 16.318 6.585 -9.536 1.00 0.00 N ATOM 0 H LYS A 15 11.687 5.931 -5.014 1.00 0.00 H new ATOM 0 HA LYS A 15 12.977 8.269 -4.206 1.00 0.00 H new ATOM 0 HB2 LYS A 15 14.633 7.675 -5.875 1.00 0.00 H new ATOM 0 HB3 LYS A 15 14.069 6.217 -5.083 1.00 0.00 H new ATOM 0 HG2 LYS A 15 12.696 5.615 -6.983 1.00 0.00 H new ATOM 0 HG3 LYS A 15 12.953 7.174 -7.741 1.00 0.00 H new ATOM 0 HD2 LYS A 15 15.534 6.024 -7.188 1.00 0.00 H new ATOM 0 HD3 LYS A 15 14.551 4.796 -7.960 1.00 0.00 H new ATOM 0 HE2 LYS A 15 14.320 6.005 -9.932 1.00 0.00 H new ATOM 0 HE3 LYS A 15 14.480 7.557 -9.133 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 16.424 7.050 -10.460 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 16.846 7.119 -8.817 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 16.691 5.616 -9.591 1.00 0.00 H new ATOM 263 N ILE A 16 11.078 8.660 -6.796 1.00 0.00 N ATOM 264 CA ILE A 16 10.542 9.638 -7.735 1.00 0.00 C ATOM 265 C ILE A 16 9.598 10.614 -7.036 1.00 0.00 C ATOM 266 O ILE A 16 9.474 11.769 -7.443 1.00 0.00 O ATOM 267 CB ILE A 16 9.789 8.952 -8.892 1.00 0.00 C ATOM 268 CG1 ILE A 16 10.665 7.871 -9.527 1.00 0.00 C ATOM 269 CG2 ILE A 16 9.363 9.977 -9.932 1.00 0.00 C ATOM 270 CD1 ILE A 16 11.884 8.417 -10.237 1.00 0.00 C ATOM 0 H ILE A 16 10.553 7.787 -6.750 1.00 0.00 H new ATOM 0 HA ILE A 16 11.393 10.187 -8.139 1.00 0.00 H new ATOM 0 HB ILE A 16 8.892 8.479 -8.492 1.00 0.00 H new ATOM 0 HG12 ILE A 16 10.988 7.175 -8.752 1.00 0.00 H new ATOM 0 HG13 ILE A 16 10.066 7.301 -10.238 1.00 0.00 H new ATOM 0 HG21 ILE A 16 8.833 9.475 -10.742 1.00 0.00 H new ATOM 0 HG22 ILE A 16 8.706 10.713 -9.469 1.00 0.00 H new ATOM 0 HG23 ILE A 16 10.245 10.478 -10.331 1.00 0.00 H new ATOM 0 HD11 ILE A 16 12.457 7.593 -10.662 1.00 0.00 H new ATOM 0 HD12 ILE A 16 11.569 9.090 -11.035 1.00 0.00 H new ATOM 0 HD13 ILE A 16 12.505 8.962 -9.526 1.00 0.00 H new ATOM 282 N LEU A 17 8.938 10.142 -5.985 1.00 0.00 N ATOM 283 CA LEU A 17 8.007 10.972 -5.232 1.00 0.00 C ATOM 284 C LEU A 17 8.737 11.775 -4.160 1.00 0.00 C ATOM 285 O LEU A 17 8.359 12.906 -3.853 1.00 0.00 O ATOM 286 CB LEU A 17 6.923 10.106 -4.587 1.00 0.00 C ATOM 287 CG LEU A 17 5.793 9.678 -5.525 1.00 0.00 C ATOM 288 CD1 LEU A 17 5.308 8.278 -5.174 1.00 0.00 C ATOM 289 CD2 LEU A 17 4.644 10.672 -5.461 1.00 0.00 C ATOM 0 H LEU A 17 9.031 9.188 -5.635 1.00 0.00 H new ATOM 0 HA LEU A 17 7.539 11.669 -5.927 1.00 0.00 H new ATOM 0 HB2 LEU A 17 7.391 9.212 -4.175 1.00 0.00 H new ATOM 0 HB3 LEU A 17 6.492 10.655 -3.750 1.00 0.00 H new ATOM 0 HG LEU A 17 6.179 9.662 -6.544 1.00 0.00 H new ATOM 0 HD11 LEU A 17 4.504 7.991 -5.852 1.00 0.00 H new ATOM 0 HD12 LEU A 17 6.133 7.572 -5.270 1.00 0.00 H new ATOM 0 HD13 LEU A 17 4.939 8.267 -4.148 1.00 0.00 H new ATOM 0 HD21 LEU A 17 3.849 10.353 -6.134 1.00 0.00 H new ATOM 0 HD22 LEU A 17 4.260 10.719 -4.442 1.00 0.00 H new ATOM 0 HD23 LEU A 17 4.999 11.658 -5.761 1.00 0.00 H new ATOM 301 N VAL A 18 9.783 11.183 -3.594 1.00 0.00 N ATOM 302 CA VAL A 18 10.566 11.844 -2.557 1.00 0.00 C ATOM 303 C VAL A 18 11.185 13.138 -3.077 1.00 0.00 C ATOM 304 O VAL A 18 11.313 14.116 -2.340 1.00 0.00 O ATOM 305 CB VAL A 18 11.684 10.923 -2.026 1.00 0.00 C ATOM 306 CG1 VAL A 18 12.664 10.572 -3.134 1.00 0.00 C ATOM 307 CG2 VAL A 18 12.403 11.575 -0.852 1.00 0.00 C ATOM 0 H VAL A 18 10.108 10.247 -3.836 1.00 0.00 H new ATOM 0 HA VAL A 18 9.882 12.077 -1.741 1.00 0.00 H new ATOM 0 HB VAL A 18 11.227 9.998 -1.674 1.00 0.00 H new ATOM 0 HG11 VAL A 18 13.444 9.922 -2.737 1.00 0.00 H new ATOM 0 HG12 VAL A 18 12.136 10.057 -3.937 1.00 0.00 H new ATOM 0 HG13 VAL A 18 13.115 11.485 -3.523 1.00 0.00 H new ATOM 0 HG21 VAL A 18 13.188 10.910 -0.491 1.00 0.00 H new ATOM 0 HG22 VAL A 18 12.846 12.518 -1.174 1.00 0.00 H new ATOM 0 HG23 VAL A 18 11.691 11.765 -0.049 1.00 0.00 H new ATOM 317 N LYS A 19 11.568 13.137 -4.350 1.00 0.00 N ATOM 318 CA LYS A 19 12.175 14.310 -4.968 1.00 0.00 C ATOM 319 C LYS A 19 11.137 15.406 -5.188 1.00 0.00 C ATOM 320 O LYS A 19 11.380 16.574 -4.884 1.00 0.00 O ATOM 321 CB LYS A 19 12.825 13.931 -6.300 1.00 0.00 C ATOM 322 CG LYS A 19 13.731 15.013 -6.863 1.00 0.00 C ATOM 323 CD LYS A 19 12.934 16.095 -7.571 1.00 0.00 C ATOM 324 CE LYS A 19 13.647 16.587 -8.820 1.00 0.00 C ATOM 325 NZ LYS A 19 14.540 17.743 -8.532 1.00 0.00 N ATOM 0 H LYS A 19 11.469 12.336 -4.974 1.00 0.00 H new ATOM 0 HA LYS A 19 12.942 14.691 -4.293 1.00 0.00 H new ATOM 0 HB2 LYS A 19 13.404 13.017 -6.165 1.00 0.00 H new ATOM 0 HB3 LYS A 19 12.043 13.709 -7.026 1.00 0.00 H new ATOM 0 HG2 LYS A 19 14.313 15.458 -6.056 1.00 0.00 H new ATOM 0 HG3 LYS A 19 14.441 14.568 -7.560 1.00 0.00 H new ATOM 0 HD2 LYS A 19 11.952 15.707 -7.841 1.00 0.00 H new ATOM 0 HD3 LYS A 19 12.770 16.931 -6.891 1.00 0.00 H new ATOM 0 HE2 LYS A 19 14.233 15.773 -9.247 1.00 0.00 H new ATOM 0 HE3 LYS A 19 12.909 16.876 -9.569 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 15.007 18.048 -9.410 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 13.978 18.529 -8.148 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 15.260 17.461 -7.837 1.00 0.00 H new ATOM 339 N ASN A 20 9.982 15.022 -5.721 1.00 0.00 N ATOM 340 CA ASN A 20 8.909 15.973 -5.983 1.00 0.00 C ATOM 341 C ASN A 20 8.240 16.412 -4.683 1.00 0.00 C ATOM 342 O ASN A 20 7.753 17.537 -4.573 1.00 0.00 O ATOM 343 CB ASN A 20 7.871 15.355 -6.925 1.00 0.00 C ATOM 344 CG ASN A 20 7.758 16.111 -8.235 1.00 0.00 C ATOM 345 OD1 ASN A 20 6.844 16.913 -8.427 1.00 0.00 O ATOM 346 ND2 ASN A 20 8.690 15.856 -9.147 1.00 0.00 N ATOM 0 H ASN A 20 9.765 14.059 -5.980 1.00 0.00 H new ATOM 0 HA ASN A 20 9.343 16.852 -6.459 1.00 0.00 H new ATOM 0 HB2 ASN A 20 8.140 14.319 -7.129 1.00 0.00 H new ATOM 0 HB3 ASN A 20 6.899 15.341 -6.432 1.00 0.00 H new ATOM 0 HD21 ASN A 20 8.666 16.333 -10.048 1.00 0.00 H new ATOM 0 HD22 ASN A 20 9.430 15.183 -8.946 1.00 0.00 H new ATOM 353 N GLY A 21 8.220 15.516 -3.703 1.00 0.00 N ATOM 354 CA GLY A 21 7.609 15.830 -2.425 1.00 0.00 C ATOM 355 C GLY A 21 6.967 14.617 -1.777 1.00 0.00 C ATOM 356 O GLY A 21 5.767 14.389 -1.923 1.00 0.00 O ATOM 0 H GLY A 21 8.616 14.578 -3.770 1.00 0.00 H new ATOM 0 HA2 GLY A 21 8.365 16.239 -1.755 1.00 0.00 H new ATOM 0 HA3 GLY A 21 6.855 16.605 -2.566 1.00 0.00 H new ATOM 360 N PHE A 22 7.770 13.839 -1.058 1.00 0.00 N ATOM 361 CA PHE A 22 7.274 12.644 -0.386 1.00 0.00 C ATOM 362 C PHE A 22 8.274 12.151 0.655 1.00 0.00 C ATOM 363 O PHE A 22 9.248 11.475 0.321 1.00 0.00 O ATOM 364 CB PHE A 22 6.994 11.539 -1.405 1.00 0.00 C ATOM 365 CG PHE A 22 6.204 10.392 -0.842 1.00 0.00 C ATOM 366 CD1 PHE A 22 6.766 9.540 0.094 1.00 0.00 C ATOM 367 CD2 PHE A 22 4.899 10.164 -1.250 1.00 0.00 C ATOM 368 CE1 PHE A 22 6.043 8.483 0.615 1.00 0.00 C ATOM 369 CE2 PHE A 22 4.171 9.110 -0.736 1.00 0.00 C ATOM 370 CZ PHE A 22 4.743 8.267 0.199 1.00 0.00 C ATOM 0 H PHE A 22 8.766 14.015 -0.926 1.00 0.00 H new ATOM 0 HA PHE A 22 6.345 12.903 0.122 1.00 0.00 H new ATOM 0 HB2 PHE A 22 6.452 11.964 -2.250 1.00 0.00 H new ATOM 0 HB3 PHE A 22 7.941 11.163 -1.791 1.00 0.00 H new ATOM 0 HD1 PHE A 22 7.782 9.703 0.421 1.00 0.00 H new ATOM 0 HD2 PHE A 22 4.446 10.819 -1.979 1.00 0.00 H new ATOM 0 HE1 PHE A 22 6.493 7.827 1.346 1.00 0.00 H new ATOM 0 HE2 PHE A 22 3.155 8.944 -1.064 1.00 0.00 H new ATOM 0 HZ PHE A 22 4.175 7.442 0.603 1.00 0.00 H new ATOM 380 N ASP A 23 8.026 12.492 1.915 1.00 0.00 N ATOM 381 CA ASP A 23 8.907 12.082 3.003 1.00 0.00 C ATOM 382 C ASP A 23 8.882 10.568 3.180 1.00 0.00 C ATOM 383 O ASP A 23 8.011 9.883 2.644 1.00 0.00 O ATOM 384 CB ASP A 23 8.493 12.767 4.307 1.00 0.00 C ATOM 385 CG ASP A 23 8.313 14.264 4.143 1.00 0.00 C ATOM 386 OD1 ASP A 23 7.467 14.672 3.319 1.00 0.00 O ATOM 387 OD2 ASP A 23 9.016 15.026 4.837 1.00 0.00 O ATOM 0 H ASP A 23 7.224 13.050 2.208 1.00 0.00 H new ATOM 0 HA ASP A 23 9.923 12.384 2.749 1.00 0.00 H new ATOM 0 HB2 ASP A 23 7.561 12.329 4.664 1.00 0.00 H new ATOM 0 HB3 ASP A 23 9.248 12.576 5.070 1.00 0.00 H new ATOM 392 N LEU A 24 9.844 10.051 3.938 1.00 0.00 N ATOM 393 CA LEU A 24 9.933 8.615 4.184 1.00 0.00 C ATOM 394 C LEU A 24 9.307 8.254 5.529 1.00 0.00 C ATOM 395 O LEU A 24 8.782 7.155 5.704 1.00 0.00 O ATOM 396 CB LEU A 24 11.393 8.162 4.153 1.00 0.00 C ATOM 397 CG LEU A 24 12.184 8.614 2.924 1.00 0.00 C ATOM 398 CD1 LEU A 24 12.843 9.961 3.178 1.00 0.00 C ATOM 399 CD2 LEU A 24 13.226 7.570 2.548 1.00 0.00 C ATOM 0 H LEU A 24 10.572 10.603 4.392 1.00 0.00 H new ATOM 0 HA LEU A 24 9.382 8.101 3.396 1.00 0.00 H new ATOM 0 HB2 LEU A 24 11.893 8.537 5.046 1.00 0.00 H new ATOM 0 HB3 LEU A 24 11.421 7.074 4.205 1.00 0.00 H new ATOM 0 HG LEU A 24 11.491 8.724 2.090 1.00 0.00 H new ATOM 0 HD11 LEU A 24 13.401 10.266 2.293 1.00 0.00 H new ATOM 0 HD12 LEU A 24 12.077 10.705 3.398 1.00 0.00 H new ATOM 0 HD13 LEU A 24 13.524 9.879 4.025 1.00 0.00 H new ATOM 0 HD21 LEU A 24 13.780 7.908 1.672 1.00 0.00 H new ATOM 0 HD22 LEU A 24 13.915 7.428 3.380 1.00 0.00 H new ATOM 0 HD23 LEU A 24 12.730 6.626 2.322 1.00 0.00 H new ATOM 411 N LYS A 25 9.365 9.188 6.473 1.00 0.00 N ATOM 412 CA LYS A 25 8.803 8.966 7.800 1.00 0.00 C ATOM 413 C LYS A 25 7.289 8.798 7.730 1.00 0.00 C ATOM 414 O LYS A 25 6.700 8.058 8.517 1.00 0.00 O ATOM 415 CB LYS A 25 9.158 10.131 8.728 1.00 0.00 C ATOM 416 CG LYS A 25 9.531 9.696 10.137 1.00 0.00 C ATOM 417 CD LYS A 25 10.793 10.394 10.621 1.00 0.00 C ATOM 418 CE LYS A 25 11.421 9.657 11.794 1.00 0.00 C ATOM 419 NZ LYS A 25 11.073 10.288 13.097 1.00 0.00 N ATOM 0 H LYS A 25 9.795 10.104 6.344 1.00 0.00 H new ATOM 0 HA LYS A 25 9.233 8.048 8.200 1.00 0.00 H new ATOM 0 HB2 LYS A 25 9.990 10.688 8.297 1.00 0.00 H new ATOM 0 HB3 LYS A 25 8.310 10.814 8.780 1.00 0.00 H new ATOM 0 HG2 LYS A 25 8.708 9.917 10.817 1.00 0.00 H new ATOM 0 HG3 LYS A 25 9.680 8.616 10.158 1.00 0.00 H new ATOM 0 HD2 LYS A 25 11.511 10.458 9.803 1.00 0.00 H new ATOM 0 HD3 LYS A 25 10.555 11.416 10.917 1.00 0.00 H new ATOM 0 HE2 LYS A 25 11.086 8.620 11.792 1.00 0.00 H new ATOM 0 HE3 LYS A 25 12.504 9.643 11.676 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 11.520 9.756 13.871 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 11.415 11.270 13.109 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 10.041 10.279 13.222 1.00 0.00 H new ATOM 433 N LEU A 26 6.666 9.489 6.782 1.00 0.00 N ATOM 434 CA LEU A 26 5.219 9.417 6.609 1.00 0.00 C ATOM 435 C LEU A 26 4.777 7.985 6.318 1.00 0.00 C ATOM 436 O LEU A 26 3.679 7.575 6.694 1.00 0.00 O ATOM 437 CB LEU A 26 4.772 10.342 5.475 1.00 0.00 C ATOM 438 CG LEU A 26 5.200 9.907 4.073 1.00 0.00 C ATOM 439 CD1 LEU A 26 4.223 8.887 3.508 1.00 0.00 C ATOM 440 CD2 LEU A 26 5.308 11.112 3.151 1.00 0.00 C ATOM 0 H LEU A 26 7.140 10.105 6.122 1.00 0.00 H new ATOM 0 HA LEU A 26 4.750 9.742 7.538 1.00 0.00 H new ATOM 0 HB2 LEU A 26 3.685 10.420 5.498 1.00 0.00 H new ATOM 0 HB3 LEU A 26 5.167 11.340 5.665 1.00 0.00 H new ATOM 0 HG LEU A 26 6.182 9.439 4.143 1.00 0.00 H new ATOM 0 HD11 LEU A 26 4.544 8.590 2.510 1.00 0.00 H new ATOM 0 HD12 LEU A 26 4.196 8.011 4.156 1.00 0.00 H new ATOM 0 HD13 LEU A 26 3.228 9.328 3.452 1.00 0.00 H new ATOM 0 HD21 LEU A 26 5.614 10.784 2.158 1.00 0.00 H new ATOM 0 HD22 LEU A 26 4.340 11.609 3.087 1.00 0.00 H new ATOM 0 HD23 LEU A 26 6.048 11.808 3.547 1.00 0.00 H new ATOM 452 N LEU A 27 5.641 7.230 5.647 1.00 0.00 N ATOM 453 CA LEU A 27 5.341 5.845 5.307 1.00 0.00 C ATOM 454 C LEU A 27 5.291 4.972 6.557 1.00 0.00 C ATOM 455 O LEU A 27 4.613 3.945 6.583 1.00 0.00 O ATOM 456 CB LEU A 27 6.386 5.299 4.331 1.00 0.00 C ATOM 457 CG LEU A 27 5.848 4.314 3.291 1.00 0.00 C ATOM 458 CD1 LEU A 27 6.720 4.324 2.046 1.00 0.00 C ATOM 459 CD2 LEU A 27 5.767 2.913 3.878 1.00 0.00 C ATOM 0 H LEU A 27 6.554 7.554 5.328 1.00 0.00 H new ATOM 0 HA LEU A 27 4.360 5.821 4.831 1.00 0.00 H new ATOM 0 HB2 LEU A 27 6.848 6.138 3.810 1.00 0.00 H new ATOM 0 HB3 LEU A 27 7.173 4.807 4.903 1.00 0.00 H new ATOM 0 HG LEU A 27 4.843 4.626 3.007 1.00 0.00 H new ATOM 0 HD11 LEU A 27 6.322 3.618 1.317 1.00 0.00 H new ATOM 0 HD12 LEU A 27 6.727 5.325 1.615 1.00 0.00 H new ATOM 0 HD13 LEU A 27 7.737 4.037 2.312 1.00 0.00 H new ATOM 0 HD21 LEU A 27 5.382 2.225 3.125 1.00 0.00 H new ATOM 0 HD22 LEU A 27 6.761 2.591 4.190 1.00 0.00 H new ATOM 0 HD23 LEU A 27 5.100 2.918 4.740 1.00 0.00 H new ATOM 471 N TYR A 28 6.017 5.385 7.593 1.00 0.00 N ATOM 472 CA TYR A 28 6.055 4.639 8.845 1.00 0.00 C ATOM 473 C TYR A 28 4.817 4.924 9.691 1.00 0.00 C ATOM 474 O TYR A 28 4.401 4.093 10.499 1.00 0.00 O ATOM 475 CB TYR A 28 7.317 4.994 9.634 1.00 0.00 C ATOM 476 CG TYR A 28 8.554 4.264 9.159 1.00 0.00 C ATOM 477 CD1 TYR A 28 8.668 2.888 9.300 1.00 0.00 C ATOM 478 CD2 TYR A 28 9.607 4.954 8.572 1.00 0.00 C ATOM 479 CE1 TYR A 28 9.798 2.218 8.869 1.00 0.00 C ATOM 480 CE2 TYR A 28 10.738 4.292 8.138 1.00 0.00 C ATOM 481 CZ TYR A 28 10.829 2.924 8.288 1.00 0.00 C ATOM 482 OH TYR A 28 11.956 2.261 7.858 1.00 0.00 O ATOM 0 H TYR A 28 6.586 6.232 7.589 1.00 0.00 H new ATOM 0 HA TYR A 28 6.069 3.576 8.604 1.00 0.00 H new ATOM 0 HB2 TYR A 28 7.490 6.068 9.563 1.00 0.00 H new ATOM 0 HB3 TYR A 28 7.153 4.766 10.687 1.00 0.00 H new ATOM 0 HD1 TYR A 28 7.861 2.332 9.754 1.00 0.00 H new ATOM 0 HD2 TYR A 28 9.540 6.025 8.453 1.00 0.00 H new ATOM 0 HE1 TYR A 28 9.872 1.147 8.987 1.00 0.00 H new ATOM 0 HE2 TYR A 28 11.548 4.843 7.683 1.00 0.00 H new ATOM 0 HH TYR A 28 12.586 2.904 7.471 1.00 0.00 H new ATOM 492 N LYS A 29 4.233 6.104 9.502 1.00 0.00 N ATOM 493 CA LYS A 29 3.045 6.496 10.252 1.00 0.00 C ATOM 494 C LYS A 29 1.771 6.046 9.541 1.00 0.00 C ATOM 495 O LYS A 29 0.755 5.776 10.183 1.00 0.00 O ATOM 496 CB LYS A 29 3.024 8.014 10.456 1.00 0.00 C ATOM 497 CG LYS A 29 3.005 8.430 11.919 1.00 0.00 C ATOM 498 CD LYS A 29 3.462 9.870 12.094 1.00 0.00 C ATOM 499 CE LYS A 29 4.962 10.008 11.884 1.00 0.00 C ATOM 500 NZ LYS A 29 5.720 9.840 13.153 1.00 0.00 N ATOM 0 H LYS A 29 4.563 6.804 8.837 1.00 0.00 H new ATOM 0 HA LYS A 29 3.084 6.005 11.224 1.00 0.00 H new ATOM 0 HB2 LYS A 29 3.899 8.449 9.974 1.00 0.00 H new ATOM 0 HB3 LYS A 29 2.147 8.427 9.958 1.00 0.00 H new ATOM 0 HG2 LYS A 29 1.997 8.316 12.318 1.00 0.00 H new ATOM 0 HG3 LYS A 29 3.653 7.769 12.495 1.00 0.00 H new ATOM 0 HD2 LYS A 29 2.934 10.509 11.386 1.00 0.00 H new ATOM 0 HD3 LYS A 29 3.200 10.217 13.093 1.00 0.00 H new ATOM 0 HE2 LYS A 29 5.297 9.265 11.161 1.00 0.00 H new ATOM 0 HE3 LYS A 29 5.180 10.988 11.458 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 6.738 9.941 12.965 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 5.420 10.565 13.835 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 5.533 8.896 13.547 1.00 0.00 H new ATOM 514 N VAL A 30 1.831 5.966 8.216 1.00 0.00 N ATOM 515 CA VAL A 30 0.679 5.548 7.425 1.00 0.00 C ATOM 516 C VAL A 30 0.442 4.045 7.546 1.00 0.00 C ATOM 517 O VAL A 30 -0.678 3.568 7.368 1.00 0.00 O ATOM 518 CB VAL A 30 0.855 5.916 5.938 1.00 0.00 C ATOM 519 CG1 VAL A 30 2.033 5.169 5.333 1.00 0.00 C ATOM 520 CG2 VAL A 30 -0.422 5.630 5.162 1.00 0.00 C ATOM 0 H VAL A 30 2.663 6.185 7.668 1.00 0.00 H new ATOM 0 HA VAL A 30 -0.186 6.079 7.821 1.00 0.00 H new ATOM 0 HB VAL A 30 1.063 6.984 5.872 1.00 0.00 H new ATOM 0 HG11 VAL A 30 2.138 5.444 4.284 1.00 0.00 H new ATOM 0 HG12 VAL A 30 2.945 5.431 5.870 1.00 0.00 H new ATOM 0 HG13 VAL A 30 1.862 4.095 5.411 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -0.279 5.896 4.115 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -0.664 4.570 5.237 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -1.240 6.219 5.577 1.00 0.00 H new ATOM 530 N VAL A 31 1.504 3.302 7.847 1.00 0.00 N ATOM 531 CA VAL A 31 1.413 1.852 7.990 1.00 0.00 C ATOM 532 C VAL A 31 0.251 1.455 8.899 1.00 0.00 C ATOM 533 O VAL A 31 -0.333 0.383 8.744 1.00 0.00 O ATOM 534 CB VAL A 31 2.720 1.261 8.554 1.00 0.00 C ATOM 535 CG1 VAL A 31 2.998 1.802 9.949 1.00 0.00 C ATOM 536 CG2 VAL A 31 2.660 -0.260 8.567 1.00 0.00 C ATOM 0 H VAL A 31 2.439 3.681 7.997 1.00 0.00 H new ATOM 0 HA VAL A 31 1.240 1.448 6.993 1.00 0.00 H new ATOM 0 HB VAL A 31 3.540 1.564 7.903 1.00 0.00 H new ATOM 0 HG11 VAL A 31 3.925 1.372 10.328 1.00 0.00 H new ATOM 0 HG12 VAL A 31 3.092 2.887 9.906 1.00 0.00 H new ATOM 0 HG13 VAL A 31 2.176 1.535 10.613 1.00 0.00 H new ATOM 0 HG21 VAL A 31 3.592 -0.657 8.969 1.00 0.00 H new ATOM 0 HG22 VAL A 31 1.828 -0.586 9.191 1.00 0.00 H new ATOM 0 HG23 VAL A 31 2.517 -0.627 7.551 1.00 0.00 H new ATOM 546 N GLY A 32 -0.079 2.329 9.844 1.00 0.00 N ATOM 547 CA GLY A 32 -1.170 2.050 10.761 1.00 0.00 C ATOM 548 C GLY A 32 -2.517 2.038 10.067 1.00 0.00 C ATOM 549 O GLY A 32 -3.438 1.339 10.495 1.00 0.00 O ATOM 0 H GLY A 32 0.388 3.224 9.992 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -1.002 1.085 11.239 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -1.178 2.800 11.552 1.00 0.00 H new ATOM 553 N ASN A 33 -2.635 2.813 8.994 1.00 0.00 N ATOM 554 CA ASN A 33 -3.879 2.889 8.238 1.00 0.00 C ATOM 555 C ASN A 33 -3.909 1.841 7.130 1.00 0.00 C ATOM 556 O ASN A 33 -4.967 1.316 6.785 1.00 0.00 O ATOM 557 CB ASN A 33 -4.052 4.286 7.639 1.00 0.00 C ATOM 558 CG ASN A 33 -4.534 5.297 8.662 1.00 0.00 C ATOM 559 OD1 ASN A 33 -5.308 4.967 9.560 1.00 0.00 O ATOM 560 ND2 ASN A 33 -4.076 6.536 8.531 1.00 0.00 N ATOM 0 H ASN A 33 -1.883 3.398 8.628 1.00 0.00 H new ATOM 0 HA ASN A 33 -4.703 2.690 8.923 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -3.102 4.620 7.222 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -4.764 4.240 6.815 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -4.365 7.259 9.190 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -3.435 6.765 7.771 1.00 0.00 H new ATOM 567 N LEU A 34 -2.738 1.540 6.576 1.00 0.00 N ATOM 568 CA LEU A 34 -2.627 0.555 5.507 1.00 0.00 C ATOM 569 C LEU A 34 -2.932 -0.847 6.027 1.00 0.00 C ATOM 570 O LEU A 34 -3.613 -1.630 5.365 1.00 0.00 O ATOM 571 CB LEU A 34 -1.226 0.591 4.895 1.00 0.00 C ATOM 572 CG LEU A 34 -0.731 1.979 4.485 1.00 0.00 C ATOM 573 CD1 LEU A 34 0.710 1.913 4.006 1.00 0.00 C ATOM 574 CD2 LEU A 34 -1.626 2.566 3.403 1.00 0.00 C ATOM 0 H LEU A 34 -1.852 1.965 6.851 1.00 0.00 H new ATOM 0 HA LEU A 34 -3.358 0.806 4.738 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -0.522 0.169 5.613 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -1.213 -0.056 4.018 1.00 0.00 H new ATOM 0 HG LEU A 34 -0.773 2.630 5.358 1.00 0.00 H new ATOM 0 HD11 LEU A 34 1.044 2.910 3.719 1.00 0.00 H new ATOM 0 HD12 LEU A 34 1.343 1.535 4.809 1.00 0.00 H new ATOM 0 HD13 LEU A 34 0.778 1.246 3.146 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -1.259 3.554 3.123 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -1.616 1.914 2.529 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -2.645 2.651 3.780 1.00 0.00 H new ATOM 586 N ALA A 35 -2.423 -1.154 7.215 1.00 0.00 N ATOM 587 CA ALA A 35 -2.643 -2.461 7.824 1.00 0.00 C ATOM 588 C ALA A 35 -4.117 -2.674 8.150 1.00 0.00 C ATOM 589 O ALA A 35 -4.653 -3.766 7.965 1.00 0.00 O ATOM 590 CB ALA A 35 -1.795 -2.606 9.079 1.00 0.00 C ATOM 0 H ALA A 35 -1.856 -0.517 7.775 1.00 0.00 H new ATOM 0 HA ALA A 35 -2.344 -3.225 7.106 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -1.968 -3.586 9.524 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -0.741 -2.507 8.819 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -2.067 -1.829 9.794 1.00 0.00 H new ATOM 596 N THR A 36 -4.767 -1.622 8.637 1.00 0.00 N ATOM 597 CA THR A 36 -6.180 -1.694 8.989 1.00 0.00 C ATOM 598 C THR A 36 -7.053 -1.675 7.739 1.00 0.00 C ATOM 599 O THR A 36 -8.083 -2.348 7.680 1.00 0.00 O ATOM 600 CB THR A 36 -6.558 -0.531 9.908 1.00 0.00 C ATOM 601 OG1 THR A 36 -6.304 0.711 9.274 1.00 0.00 O ATOM 602 CG2 THR A 36 -5.809 -0.537 11.222 1.00 0.00 C ATOM 0 H THR A 36 -4.338 -0.710 8.797 1.00 0.00 H new ATOM 0 HA THR A 36 -6.351 -2.633 9.515 1.00 0.00 H new ATOM 0 HB THR A 36 -7.620 -0.660 10.115 1.00 0.00 H new ATOM 0 HG1 THR A 36 -5.768 0.563 8.467 1.00 0.00 H new ATOM 0 HG21 THR A 36 -6.125 0.314 11.825 1.00 0.00 H new ATOM 0 HG22 THR A 36 -6.023 -1.461 11.759 1.00 0.00 H new ATOM 0 HG23 THR A 36 -4.738 -0.468 11.031 1.00 0.00 H new ATOM 610 N GLU A 37 -6.635 -0.902 6.743 1.00 0.00 N ATOM 611 CA GLU A 37 -7.379 -0.797 5.493 1.00 0.00 C ATOM 612 C GLU A 37 -8.791 -0.272 5.743 1.00 0.00 C ATOM 613 O GLU A 37 -9.776 -0.878 5.320 1.00 0.00 O ATOM 614 CB GLU A 37 -7.442 -2.160 4.798 1.00 0.00 C ATOM 615 CG GLU A 37 -6.106 -2.884 4.760 1.00 0.00 C ATOM 616 CD GLU A 37 -6.218 -4.282 4.183 1.00 0.00 C ATOM 617 OE1 GLU A 37 -7.143 -4.520 3.379 1.00 0.00 O ATOM 618 OE2 GLU A 37 -5.380 -5.138 4.534 1.00 0.00 O ATOM 0 H GLU A 37 -5.785 -0.339 6.777 1.00 0.00 H new ATOM 0 HA GLU A 37 -6.859 -0.091 4.846 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -8.171 -2.787 5.311 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -7.801 -2.023 3.778 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -5.400 -2.305 4.165 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -5.700 -2.943 5.770 1.00 0.00 H new ATOM 625 N GLN A 38 -8.880 0.857 6.440 1.00 0.00 N ATOM 626 CA GLN A 38 -10.173 1.462 6.752 1.00 0.00 C ATOM 627 C GLN A 38 -10.538 2.558 5.750 1.00 0.00 C ATOM 628 O GLN A 38 -11.628 2.542 5.177 1.00 0.00 O ATOM 629 CB GLN A 38 -10.174 2.038 8.175 1.00 0.00 C ATOM 630 CG GLN A 38 -9.049 1.515 9.058 1.00 0.00 C ATOM 631 CD GLN A 38 -9.411 1.530 10.531 1.00 0.00 C ATOM 632 OE1 GLN A 38 -10.481 1.065 10.924 1.00 0.00 O ATOM 633 NE2 GLN A 38 -8.517 2.066 11.355 1.00 0.00 N ATOM 0 H GLN A 38 -8.075 1.371 6.799 1.00 0.00 H new ATOM 0 HA GLN A 38 -10.923 0.674 6.684 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -10.100 3.124 8.116 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -11.129 1.809 8.648 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -8.800 0.497 8.759 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -8.157 2.121 8.900 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -7.643 2.440 10.986 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -8.705 2.104 12.357 1.00 0.00 H new ATOM 642 N PRO A 39 -9.641 3.537 5.530 1.00 0.00 N ATOM 643 CA PRO A 39 -9.897 4.640 4.606 1.00 0.00 C ATOM 644 C PRO A 39 -9.629 4.277 3.143 1.00 0.00 C ATOM 645 O PRO A 39 -10.555 3.945 2.402 1.00 0.00 O ATOM 646 CB PRO A 39 -8.944 5.733 5.090 1.00 0.00 C ATOM 647 CG PRO A 39 -7.822 5.023 5.778 1.00 0.00 C ATOM 648 CD PRO A 39 -8.321 3.653 6.176 1.00 0.00 C ATOM 0 HA PRO A 39 -10.945 4.938 4.613 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -8.576 6.328 4.254 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -9.449 6.418 5.771 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -6.960 4.939 5.116 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -7.497 5.582 6.656 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -7.643 2.870 5.836 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -8.400 3.559 7.259 1.00 0.00 H new ATOM 656 N LEU A 40 -8.365 4.349 2.726 1.00 0.00 N ATOM 657 CA LEU A 40 -7.993 4.036 1.348 1.00 0.00 C ATOM 658 C LEU A 40 -8.901 4.758 0.355 1.00 0.00 C ATOM 659 O LEU A 40 -9.304 4.191 -0.661 1.00 0.00 O ATOM 660 CB LEU A 40 -8.051 2.525 1.106 1.00 0.00 C ATOM 661 CG LEU A 40 -7.293 1.665 2.123 1.00 0.00 C ATOM 662 CD1 LEU A 40 -6.009 2.353 2.570 1.00 0.00 C ATOM 663 CD2 LEU A 40 -8.179 1.348 3.319 1.00 0.00 C ATOM 0 H LEU A 40 -7.583 4.621 3.322 1.00 0.00 H new ATOM 0 HA LEU A 40 -6.971 4.381 1.193 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -9.096 2.215 1.101 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -7.653 2.318 0.113 1.00 0.00 H new ATOM 0 HG LEU A 40 -7.020 0.727 1.639 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -5.490 1.722 3.291 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -5.366 2.520 1.706 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -6.251 3.310 3.033 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -7.624 0.737 4.031 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -8.486 2.276 3.800 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -9.062 0.804 2.984 1.00 0.00 H new ATOM 675 N ALA A 41 -9.215 6.015 0.657 1.00 0.00 N ATOM 676 CA ALA A 41 -10.075 6.818 -0.206 1.00 0.00 C ATOM 677 C ALA A 41 -11.480 6.223 -0.289 1.00 0.00 C ATOM 678 O ALA A 41 -11.641 5.020 -0.493 1.00 0.00 O ATOM 679 CB ALA A 41 -9.466 6.935 -1.596 1.00 0.00 C ATOM 0 H ALA A 41 -8.887 6.499 1.493 1.00 0.00 H new ATOM 0 HA ALA A 41 -10.156 7.814 0.228 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -10.118 7.537 -2.229 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -8.488 7.411 -1.526 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -9.355 5.941 -2.030 1.00 0.00 H new ATOM 685 N PRO A 42 -12.522 7.059 -0.127 1.00 0.00 N ATOM 686 CA PRO A 42 -13.914 6.603 -0.185 1.00 0.00 C ATOM 687 C PRO A 42 -14.368 6.297 -1.609 1.00 0.00 C ATOM 688 O PRO A 42 -15.284 5.504 -1.822 1.00 0.00 O ATOM 689 CB PRO A 42 -14.695 7.788 0.383 1.00 0.00 C ATOM 690 CG PRO A 42 -13.860 8.976 0.060 1.00 0.00 C ATOM 691 CD PRO A 42 -12.428 8.511 0.123 1.00 0.00 C ATOM 0 HA PRO A 42 -14.062 5.673 0.364 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -15.684 7.864 -0.068 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -14.842 7.687 1.458 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -14.100 9.364 -0.930 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -14.039 9.783 0.771 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -11.812 9.008 -0.627 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -11.980 8.722 1.094 1.00 0.00 H new ATOM 699 N LYS A 43 -13.722 6.935 -2.582 1.00 0.00 N ATOM 700 CA LYS A 43 -14.063 6.732 -3.985 1.00 0.00 C ATOM 701 C LYS A 43 -13.435 5.450 -4.522 1.00 0.00 C ATOM 702 O LYS A 43 -13.967 4.826 -5.442 1.00 0.00 O ATOM 703 CB LYS A 43 -13.601 7.929 -4.820 1.00 0.00 C ATOM 704 CG LYS A 43 -12.094 8.132 -4.811 1.00 0.00 C ATOM 705 CD LYS A 43 -11.696 9.345 -3.984 1.00 0.00 C ATOM 706 CE LYS A 43 -11.369 10.540 -4.867 1.00 0.00 C ATOM 707 NZ LYS A 43 -10.140 11.246 -4.411 1.00 0.00 N ATOM 0 H LYS A 43 -12.961 7.596 -2.424 1.00 0.00 H new ATOM 0 HA LYS A 43 -15.147 6.640 -4.059 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -13.935 7.794 -5.849 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -14.083 8.831 -4.444 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -11.609 7.242 -4.409 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -11.737 8.255 -5.833 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -12.507 9.605 -3.304 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -10.831 9.099 -3.368 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -11.235 10.206 -5.896 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -12.209 11.234 -4.864 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -9.951 12.054 -5.038 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -10.276 11.587 -3.438 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -9.333 10.591 -4.438 1.00 0.00 H new ATOM 721 N TYR A 44 -12.302 5.060 -3.945 1.00 0.00 N ATOM 722 CA TYR A 44 -11.605 3.853 -4.371 1.00 0.00 C ATOM 723 C TYR A 44 -11.838 2.710 -3.387 1.00 0.00 C ATOM 724 O TYR A 44 -12.396 1.673 -3.747 1.00 0.00 O ATOM 725 CB TYR A 44 -10.106 4.124 -4.507 1.00 0.00 C ATOM 726 CG TYR A 44 -9.784 5.345 -5.339 1.00 0.00 C ATOM 727 CD1 TYR A 44 -10.406 5.557 -6.562 1.00 0.00 C ATOM 728 CD2 TYR A 44 -8.857 6.283 -4.902 1.00 0.00 C ATOM 729 CE1 TYR A 44 -10.115 6.672 -7.327 1.00 0.00 C ATOM 730 CE2 TYR A 44 -8.560 7.399 -5.661 1.00 0.00 C ATOM 731 CZ TYR A 44 -9.192 7.589 -6.872 1.00 0.00 C ATOM 732 OH TYR A 44 -8.898 8.699 -7.629 1.00 0.00 O ATOM 0 H TYR A 44 -11.848 5.562 -3.182 1.00 0.00 H new ATOM 0 HA TYR A 44 -12.005 3.560 -5.342 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -9.676 4.248 -3.513 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -9.627 3.253 -4.955 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -11.129 4.840 -6.922 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -8.361 6.138 -3.954 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -10.608 6.823 -8.276 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -7.837 8.119 -5.308 1.00 0.00 H new ATOM 0 HH TYR A 44 -8.229 9.244 -7.165 1.00 0.00 H new ATOM 742 N LYS A 45 -11.408 2.906 -2.146 1.00 0.00 N ATOM 743 CA LYS A 45 -11.569 1.891 -1.110 1.00 0.00 C ATOM 744 C LYS A 45 -10.775 0.635 -1.453 1.00 0.00 C ATOM 745 O LYS A 45 -10.725 0.216 -2.609 1.00 0.00 O ATOM 746 CB LYS A 45 -13.050 1.544 -0.928 1.00 0.00 C ATOM 747 CG LYS A 45 -13.699 2.244 0.255 1.00 0.00 C ATOM 748 CD LYS A 45 -14.990 2.940 -0.144 1.00 0.00 C ATOM 749 CE LYS A 45 -16.089 2.717 0.885 1.00 0.00 C ATOM 750 NZ LYS A 45 -17.120 1.760 0.397 1.00 0.00 N ATOM 0 H LYS A 45 -10.945 3.759 -1.832 1.00 0.00 H new ATOM 0 HA LYS A 45 -11.184 2.297 -0.175 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -13.591 1.808 -1.837 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -13.149 0.466 -0.800 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -13.905 1.517 1.040 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -13.005 2.974 0.671 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -14.808 4.009 -0.257 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -15.319 2.569 -1.115 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -15.650 2.339 1.808 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -16.562 3.670 1.124 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -17.851 1.635 1.126 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -17.557 2.133 -0.470 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -16.674 0.843 0.193 1.00 0.00 H new ATOM 764 N ASP A 46 -10.157 0.037 -0.439 1.00 0.00 N ATOM 765 CA ASP A 46 -9.364 -1.172 -0.633 1.00 0.00 C ATOM 766 C ASP A 46 -10.220 -2.299 -1.205 1.00 0.00 C ATOM 767 O ASP A 46 -11.427 -2.355 -0.967 1.00 0.00 O ATOM 768 CB ASP A 46 -8.739 -1.614 0.691 1.00 0.00 C ATOM 769 CG ASP A 46 -9.773 -1.801 1.785 1.00 0.00 C ATOM 770 OD1 ASP A 46 -10.082 -0.814 2.484 1.00 0.00 O ATOM 771 OD2 ASP A 46 -10.273 -2.934 1.942 1.00 0.00 O ATOM 0 H ASP A 46 -10.190 0.370 0.525 1.00 0.00 H new ATOM 0 HA ASP A 46 -8.570 -0.945 -1.345 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -8.200 -2.549 0.541 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -8.007 -0.872 1.010 1.00 0.00 H new ATOM 776 N HIS A 47 -9.587 -3.193 -1.957 1.00 0.00 N ATOM 777 CA HIS A 47 -10.292 -4.317 -2.561 1.00 0.00 C ATOM 778 C HIS A 47 -9.311 -5.403 -3.002 1.00 0.00 C ATOM 779 O HIS A 47 -8.190 -5.106 -3.413 1.00 0.00 O ATOM 780 CB HIS A 47 -11.118 -3.844 -3.758 1.00 0.00 C ATOM 781 CG HIS A 47 -10.312 -3.130 -4.798 1.00 0.00 C ATOM 782 ND1 HIS A 47 -10.494 -3.315 -6.152 1.00 0.00 N ATOM 783 CD2 HIS A 47 -9.313 -2.223 -4.676 1.00 0.00 C ATOM 784 CE1 HIS A 47 -9.642 -2.556 -6.817 1.00 0.00 C ATOM 785 NE2 HIS A 47 -8.915 -1.883 -5.946 1.00 0.00 N ATOM 0 H HIS A 47 -8.588 -3.161 -2.162 1.00 0.00 H new ATOM 0 HA HIS A 47 -10.960 -4.739 -1.811 1.00 0.00 H new ATOM 0 HB2 HIS A 47 -11.605 -4.705 -4.216 1.00 0.00 H new ATOM 0 HB3 HIS A 47 -11.908 -3.181 -3.405 1.00 0.00 H new ATOM 0 HD2 HIS A 47 -8.906 -1.839 -3.752 1.00 0.00 H new ATOM 0 HE1 HIS A 47 -9.555 -2.496 -7.892 1.00 0.00 H new ATOM 0 HE2 HIS A 47 -8.177 -1.218 -6.178 1.00 0.00 H new ATOM 794 N PRO A 48 -9.725 -6.681 -2.924 1.00 0.00 N ATOM 795 CA PRO A 48 -8.876 -7.808 -3.318 1.00 0.00 C ATOM 796 C PRO A 48 -8.715 -7.912 -4.830 1.00 0.00 C ATOM 797 O PRO A 48 -9.548 -7.415 -5.589 1.00 0.00 O ATOM 798 CB PRO A 48 -9.633 -9.022 -2.776 1.00 0.00 C ATOM 799 CG PRO A 48 -11.060 -8.597 -2.752 1.00 0.00 C ATOM 800 CD PRO A 48 -11.049 -7.123 -2.446 1.00 0.00 C ATOM 0 HA PRO A 48 -7.861 -7.711 -2.932 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -9.490 -9.895 -3.413 1.00 0.00 H new ATOM 0 HB3 PRO A 48 -9.284 -9.294 -1.780 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -11.542 -8.793 -3.710 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -11.619 -9.148 -1.996 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -11.856 -6.601 -2.960 1.00 0.00 H new ATOM 0 HD3 PRO A 48 -11.174 -6.934 -1.380 1.00 0.00 H new ATOM 808 N LEU A 49 -7.639 -8.562 -5.263 1.00 0.00 N ATOM 809 CA LEU A 49 -7.370 -8.730 -6.686 1.00 0.00 C ATOM 810 C LEU A 49 -8.122 -9.936 -7.242 1.00 0.00 C ATOM 811 O LEU A 49 -8.749 -9.855 -8.298 1.00 0.00 O ATOM 812 CB LEU A 49 -5.867 -8.894 -6.925 1.00 0.00 C ATOM 813 CG LEU A 49 -5.119 -7.599 -7.249 1.00 0.00 C ATOM 814 CD1 LEU A 49 -3.792 -7.546 -6.507 1.00 0.00 C ATOM 815 CD2 LEU A 49 -4.896 -7.473 -8.750 1.00 0.00 C ATOM 0 H LEU A 49 -6.940 -8.980 -4.649 1.00 0.00 H new ATOM 0 HA LEU A 49 -7.718 -7.837 -7.206 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -5.420 -9.342 -6.038 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -5.719 -9.596 -7.745 1.00 0.00 H new ATOM 0 HG LEU A 49 -5.730 -6.759 -6.919 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -3.276 -6.618 -6.751 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -3.974 -7.589 -5.433 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -3.175 -8.394 -6.805 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -4.363 -6.546 -8.962 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -4.307 -8.320 -9.103 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -5.859 -7.463 -9.261 1.00 0.00 H new ATOM 827 N LYS A 50 -8.053 -11.052 -6.524 1.00 0.00 N ATOM 828 CA LYS A 50 -8.727 -12.274 -6.946 1.00 0.00 C ATOM 829 C LYS A 50 -8.202 -12.746 -8.299 1.00 0.00 C ATOM 830 O LYS A 50 -8.929 -13.359 -9.079 1.00 0.00 O ATOM 831 CB LYS A 50 -10.239 -12.048 -7.017 1.00 0.00 C ATOM 832 CG LYS A 50 -11.022 -12.835 -5.981 1.00 0.00 C ATOM 833 CD LYS A 50 -12.514 -12.801 -6.265 1.00 0.00 C ATOM 834 CE LYS A 50 -13.091 -11.410 -6.051 1.00 0.00 C ATOM 835 NZ LYS A 50 -13.554 -11.212 -4.650 1.00 0.00 N ATOM 0 H LYS A 50 -7.538 -11.135 -5.648 1.00 0.00 H new ATOM 0 HA LYS A 50 -8.519 -13.049 -6.209 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -10.445 -10.986 -6.886 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -10.592 -12.321 -8.011 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -10.676 -13.869 -5.970 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -10.830 -12.425 -4.990 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -12.697 -13.118 -7.292 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -13.025 -13.512 -5.616 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -12.336 -10.662 -6.293 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -13.925 -11.254 -6.735 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -13.940 -10.252 -4.544 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -14.293 -11.909 -4.427 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -12.753 -11.336 -3.999 1.00 0.00 H new ATOM 849 N GLY A 51 -6.934 -12.457 -8.569 1.00 0.00 N ATOM 850 CA GLY A 51 -6.333 -12.860 -9.827 1.00 0.00 C ATOM 851 C GLY A 51 -5.849 -14.297 -9.806 1.00 0.00 C ATOM 852 O GLY A 51 -6.196 -15.088 -10.684 1.00 0.00 O ATOM 0 H GLY A 51 -6.311 -11.951 -7.939 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -7.060 -12.737 -10.629 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -5.495 -12.201 -10.053 1.00 0.00 H new ATOM 856 N GLY A 52 -5.047 -14.634 -8.803 1.00 0.00 N ATOM 857 CA GLY A 52 -4.529 -15.984 -8.690 1.00 0.00 C ATOM 858 C GLY A 52 -3.802 -16.219 -7.380 1.00 0.00 C ATOM 859 O GLY A 52 -3.934 -17.280 -6.771 1.00 0.00 O ATOM 0 H GLY A 52 -4.746 -13.996 -8.066 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -5.351 -16.694 -8.778 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -3.849 -16.180 -9.519 1.00 0.00 H new ATOM 863 N LEU A 53 -3.034 -15.226 -6.945 1.00 0.00 N ATOM 864 CA LEU A 53 -2.283 -15.327 -5.701 1.00 0.00 C ATOM 865 C LEU A 53 -3.203 -15.160 -4.496 1.00 0.00 C ATOM 866 O LEU A 53 -2.982 -15.764 -3.445 1.00 0.00 O ATOM 867 CB LEU A 53 -1.176 -14.271 -5.661 1.00 0.00 C ATOM 868 CG LEU A 53 -0.377 -14.121 -6.959 1.00 0.00 C ATOM 869 CD1 LEU A 53 0.010 -12.668 -7.181 1.00 0.00 C ATOM 870 CD2 LEU A 53 0.859 -15.006 -6.927 1.00 0.00 C ATOM 0 H LEU A 53 -2.916 -14.341 -7.437 1.00 0.00 H new ATOM 0 HA LEU A 53 -1.832 -16.318 -5.658 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -1.622 -13.308 -5.413 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -0.486 -14.520 -4.854 1.00 0.00 H new ATOM 0 HG LEU A 53 -1.005 -14.439 -7.791 1.00 0.00 H new ATOM 0 HD11 LEU A 53 0.577 -12.580 -8.108 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -0.891 -12.058 -7.247 1.00 0.00 H new ATOM 0 HD13 LEU A 53 0.621 -12.323 -6.347 1.00 0.00 H new ATOM 0 HD21 LEU A 53 1.416 -14.888 -7.857 1.00 0.00 H new ATOM 0 HD22 LEU A 53 1.491 -14.718 -6.087 1.00 0.00 H new ATOM 0 HD23 LEU A 53 0.558 -16.048 -6.815 1.00 0.00 H new ATOM 882 N LYS A 54 -4.236 -14.339 -4.656 1.00 0.00 N ATOM 883 CA LYS A 54 -5.191 -14.093 -3.581 1.00 0.00 C ATOM 884 C LYS A 54 -4.495 -13.533 -2.344 1.00 0.00 C ATOM 885 O LYS A 54 -5.008 -13.641 -1.229 1.00 0.00 O ATOM 886 CB LYS A 54 -5.933 -15.383 -3.223 1.00 0.00 C ATOM 887 CG LYS A 54 -6.999 -15.771 -4.233 1.00 0.00 C ATOM 888 CD LYS A 54 -7.595 -17.133 -3.919 1.00 0.00 C ATOM 889 CE LYS A 54 -8.673 -17.514 -4.920 1.00 0.00 C ATOM 890 NZ LYS A 54 -8.248 -17.252 -6.323 1.00 0.00 N ATOM 0 H LYS A 54 -4.433 -13.833 -5.519 1.00 0.00 H new ATOM 0 HA LYS A 54 -5.910 -13.353 -3.934 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -5.212 -16.196 -3.138 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -6.397 -15.266 -2.244 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -7.789 -15.019 -4.237 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -6.566 -15.784 -5.233 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -6.807 -17.886 -3.927 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -8.017 -17.124 -2.914 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -8.917 -18.570 -4.806 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -9.582 -16.952 -4.705 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -8.906 -17.721 -6.978 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -8.253 -16.227 -6.502 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -7.288 -17.625 -6.470 1.00 0.00 H new ATOM 904 N ASP A 55 -3.324 -12.934 -2.544 1.00 0.00 N ATOM 905 CA ASP A 55 -2.561 -12.359 -1.442 1.00 0.00 C ATOM 906 C ASP A 55 -2.368 -10.859 -1.636 1.00 0.00 C ATOM 907 O ASP A 55 -2.358 -10.094 -0.671 1.00 0.00 O ATOM 908 CB ASP A 55 -1.202 -13.051 -1.321 1.00 0.00 C ATOM 909 CG ASP A 55 -1.194 -14.134 -0.262 1.00 0.00 C ATOM 910 OD1 ASP A 55 -1.534 -15.290 -0.592 1.00 0.00 O ATOM 911 OD2 ASP A 55 -0.851 -13.828 0.900 1.00 0.00 O ATOM 0 H ASP A 55 -2.884 -12.835 -3.459 1.00 0.00 H new ATOM 0 HA ASP A 55 -3.124 -12.516 -0.522 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -0.933 -13.487 -2.283 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -0.440 -12.309 -1.083 1.00 0.00 H new ATOM 916 N PHE A 56 -2.213 -10.443 -2.889 1.00 0.00 N ATOM 917 CA PHE A 56 -2.019 -9.034 -3.210 1.00 0.00 C ATOM 918 C PHE A 56 -3.266 -8.220 -2.876 1.00 0.00 C ATOM 919 O PHE A 56 -4.288 -8.770 -2.470 1.00 0.00 O ATOM 920 CB PHE A 56 -1.668 -8.869 -4.690 1.00 0.00 C ATOM 921 CG PHE A 56 -0.240 -9.209 -5.011 1.00 0.00 C ATOM 922 CD1 PHE A 56 0.249 -10.486 -4.790 1.00 0.00 C ATOM 923 CD2 PHE A 56 0.612 -8.249 -5.534 1.00 0.00 C ATOM 924 CE1 PHE A 56 1.563 -10.800 -5.085 1.00 0.00 C ATOM 925 CE2 PHE A 56 1.926 -8.556 -5.829 1.00 0.00 C ATOM 926 CZ PHE A 56 2.403 -9.833 -5.605 1.00 0.00 C ATOM 0 H PHE A 56 -2.218 -11.063 -3.699 1.00 0.00 H new ATOM 0 HA PHE A 56 -1.193 -8.661 -2.604 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -2.326 -9.503 -5.284 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -1.863 -7.839 -4.989 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -0.403 -11.245 -4.383 1.00 0.00 H new ATOM 0 HD2 PHE A 56 0.244 -7.249 -5.713 1.00 0.00 H new ATOM 0 HE1 PHE A 56 1.933 -11.799 -4.909 1.00 0.00 H new ATOM 0 HE2 PHE A 56 2.580 -7.798 -6.234 1.00 0.00 H new ATOM 0 HZ PHE A 56 3.430 -10.075 -5.836 1.00 0.00 H new ATOM 936 N ARG A 57 -3.169 -6.907 -3.053 1.00 0.00 N ATOM 937 CA ARG A 57 -4.286 -6.011 -2.772 1.00 0.00 C ATOM 938 C ARG A 57 -3.922 -4.571 -3.122 1.00 0.00 C ATOM 939 O ARG A 57 -2.869 -4.073 -2.723 1.00 0.00 O ATOM 940 CB ARG A 57 -4.686 -6.107 -1.298 1.00 0.00 C ATOM 941 CG ARG A 57 -5.865 -7.034 -1.049 1.00 0.00 C ATOM 942 CD ARG A 57 -5.556 -8.057 0.034 1.00 0.00 C ATOM 943 NE ARG A 57 -6.718 -8.334 0.875 1.00 0.00 N ATOM 944 CZ ARG A 57 -6.729 -9.242 1.847 1.00 0.00 C ATOM 945 NH1 ARG A 57 -5.643 -9.961 2.106 1.00 0.00 N ATOM 946 NH2 ARG A 57 -7.828 -9.431 2.563 1.00 0.00 N ATOM 0 H ARG A 57 -2.328 -6.439 -3.390 1.00 0.00 H new ATOM 0 HA ARG A 57 -5.132 -6.315 -3.389 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -3.831 -6.456 -0.720 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -4.933 -5.111 -0.931 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -6.735 -6.446 -0.757 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -6.124 -7.550 -1.974 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -5.215 -8.983 -0.429 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -4.738 -7.691 0.655 1.00 0.00 H new ATOM 0 HE ARG A 57 -7.571 -7.800 0.707 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -4.794 -9.818 1.558 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -5.657 -10.656 2.853 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -8.664 -8.880 2.368 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -7.838 -10.127 3.309 1.00 0.00 H new ATOM 960 N GLU A 58 -4.798 -3.909 -3.871 1.00 0.00 N ATOM 961 CA GLU A 58 -4.564 -2.528 -4.276 1.00 0.00 C ATOM 962 C GLU A 58 -5.403 -1.565 -3.443 1.00 0.00 C ATOM 963 O GLU A 58 -6.577 -1.820 -3.173 1.00 0.00 O ATOM 964 CB GLU A 58 -4.883 -2.349 -5.760 1.00 0.00 C ATOM 965 CG GLU A 58 -4.530 -0.972 -6.297 1.00 0.00 C ATOM 966 CD GLU A 58 -5.209 -0.669 -7.619 1.00 0.00 C ATOM 967 OE1 GLU A 58 -6.449 -0.804 -7.693 1.00 0.00 O ATOM 968 OE2 GLU A 58 -4.502 -0.300 -8.579 1.00 0.00 O ATOM 0 H GLU A 58 -5.675 -4.306 -4.209 1.00 0.00 H new ATOM 0 HA GLU A 58 -3.511 -2.301 -4.108 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -4.342 -3.103 -6.333 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -5.946 -2.530 -5.919 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -4.815 -0.217 -5.565 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -3.450 -0.901 -6.423 1.00 0.00 H new ATOM 975 N CYS A 59 -4.793 -0.455 -3.040 1.00 0.00 N ATOM 976 CA CYS A 59 -5.481 0.550 -2.240 1.00 0.00 C ATOM 977 C CYS A 59 -5.061 1.956 -2.657 1.00 0.00 C ATOM 978 O CYS A 59 -4.296 2.128 -3.606 1.00 0.00 O ATOM 979 CB CYS A 59 -5.188 0.337 -0.754 1.00 0.00 C ATOM 980 SG CYS A 59 -5.351 -1.378 -0.207 1.00 0.00 S ATOM 0 H CYS A 59 -3.822 -0.229 -3.255 1.00 0.00 H new ATOM 0 HA CYS A 59 -6.552 0.444 -2.410 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -4.175 0.680 -0.542 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -5.865 0.960 -0.169 1.00 0.00 H new ATOM 0 HG CYS A 59 -4.621 -1.567 0.852 1.00 0.00 H new ATOM 986 N HIS A 60 -5.568 2.955 -1.943 1.00 0.00 N ATOM 987 CA HIS A 60 -5.241 4.345 -2.243 1.00 0.00 C ATOM 988 C HIS A 60 -5.120 5.164 -0.963 1.00 0.00 C ATOM 989 O HIS A 60 -6.112 5.681 -0.446 1.00 0.00 O ATOM 990 CB HIS A 60 -6.309 4.957 -3.153 1.00 0.00 C ATOM 991 CG HIS A 60 -6.576 4.149 -4.385 1.00 0.00 C ATOM 992 ND1 HIS A 60 -6.192 4.552 -5.647 1.00 0.00 N ATOM 993 CD2 HIS A 60 -7.193 2.954 -4.547 1.00 0.00 C ATOM 994 CE1 HIS A 60 -6.561 3.642 -6.530 1.00 0.00 C ATOM 995 NE2 HIS A 60 -7.171 2.663 -5.888 1.00 0.00 N ATOM 0 H HIS A 60 -6.204 2.830 -1.156 1.00 0.00 H new ATOM 0 HA HIS A 60 -4.280 4.363 -2.757 1.00 0.00 H new ATOM 0 HB2 HIS A 60 -7.236 5.065 -2.590 1.00 0.00 H new ATOM 0 HB3 HIS A 60 -5.995 5.959 -3.446 1.00 0.00 H new ATOM 0 HD2 HIS A 60 -7.622 2.344 -3.766 1.00 0.00 H new ATOM 0 HE1 HIS A 60 -6.392 3.690 -7.596 1.00 0.00 H new ATOM 0 HE2 HIS A 60 -7.563 1.826 -6.319 1.00 0.00 H new ATOM 1004 N LEU A 61 -3.897 5.282 -0.456 1.00 0.00 N ATOM 1005 CA LEU A 61 -3.645 6.041 0.762 1.00 0.00 C ATOM 1006 C LEU A 61 -3.814 7.536 0.516 1.00 0.00 C ATOM 1007 O LEU A 61 -4.179 8.287 1.421 1.00 0.00 O ATOM 1008 CB LEU A 61 -2.235 5.754 1.284 1.00 0.00 C ATOM 1009 CG LEU A 61 -1.103 6.097 0.312 1.00 0.00 C ATOM 1010 CD1 LEU A 61 0.051 6.762 1.046 1.00 0.00 C ATOM 1011 CD2 LEU A 61 -0.626 4.847 -0.414 1.00 0.00 C ATOM 0 H LEU A 61 -3.065 4.861 -0.870 1.00 0.00 H new ATOM 0 HA LEU A 61 -4.373 5.730 1.511 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -2.084 6.315 2.206 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -2.167 4.697 1.539 1.00 0.00 H new ATOM 0 HG LEU A 61 -1.487 6.799 -0.428 1.00 0.00 H new ATOM 0 HD11 LEU A 61 0.845 6.998 0.338 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -0.299 7.680 1.518 1.00 0.00 H new ATOM 0 HD13 LEU A 61 0.435 6.085 1.809 1.00 0.00 H new ATOM 0 HD21 LEU A 61 0.179 5.110 -1.101 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -0.260 4.121 0.313 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -1.454 4.413 -0.975 1.00 0.00 H new ATOM 1023 N LYS A 62 -3.546 7.962 -0.714 1.00 0.00 N ATOM 1024 CA LYS A 62 -3.668 9.368 -1.079 1.00 0.00 C ATOM 1025 C LYS A 62 -4.656 9.546 -2.230 1.00 0.00 C ATOM 1026 O LYS A 62 -4.988 8.587 -2.926 1.00 0.00 O ATOM 1027 CB LYS A 62 -2.301 9.935 -1.468 1.00 0.00 C ATOM 1028 CG LYS A 62 -1.516 10.487 -0.290 1.00 0.00 C ATOM 1029 CD LYS A 62 -0.567 11.595 -0.720 1.00 0.00 C ATOM 1030 CE LYS A 62 -0.793 12.868 0.081 1.00 0.00 C ATOM 1031 NZ LYS A 62 0.205 13.022 1.175 1.00 0.00 N ATOM 0 H LYS A 62 -3.243 7.354 -1.474 1.00 0.00 H new ATOM 0 HA LYS A 62 -4.045 9.913 -0.214 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -1.715 9.152 -1.950 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -2.441 10.727 -2.204 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -2.207 10.870 0.461 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -0.949 9.683 0.179 1.00 0.00 H new ATOM 0 HD2 LYS A 62 0.463 11.262 -0.593 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -0.706 11.803 -1.781 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -0.738 13.730 -0.584 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -1.797 12.856 0.505 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 0.016 13.902 1.696 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 0.136 12.213 1.825 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 1.162 13.059 0.769 1.00 0.00 H new ATOM 1045 N PRO A 63 -5.142 10.781 -2.443 1.00 0.00 N ATOM 1046 CA PRO A 63 -6.101 11.080 -3.514 1.00 0.00 C ATOM 1047 C PRO A 63 -5.524 10.841 -4.908 1.00 0.00 C ATOM 1048 O PRO A 63 -6.259 10.818 -5.895 1.00 0.00 O ATOM 1049 CB PRO A 63 -6.417 12.566 -3.315 1.00 0.00 C ATOM 1050 CG PRO A 63 -5.269 13.105 -2.535 1.00 0.00 C ATOM 1051 CD PRO A 63 -4.804 11.980 -1.657 1.00 0.00 C ATOM 0 HA PRO A 63 -6.976 10.433 -3.457 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -6.519 13.079 -4.271 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -7.356 12.701 -2.779 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -4.470 13.440 -3.197 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -5.572 13.966 -1.939 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -3.735 12.042 -1.455 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -5.311 11.986 -0.692 1.00 0.00 H new ATOM 1059 N ASP A 64 -4.210 10.664 -4.985 1.00 0.00 N ATOM 1060 CA ASP A 64 -3.548 10.428 -6.263 1.00 0.00 C ATOM 1061 C ASP A 64 -2.316 9.541 -6.093 1.00 0.00 C ATOM 1062 O ASP A 64 -1.188 9.979 -6.316 1.00 0.00 O ATOM 1063 CB ASP A 64 -3.149 11.759 -6.905 1.00 0.00 C ATOM 1064 CG ASP A 64 -2.718 11.597 -8.350 1.00 0.00 C ATOM 1065 OD1 ASP A 64 -3.596 11.384 -9.212 1.00 0.00 O ATOM 1066 OD2 ASP A 64 -1.501 11.686 -8.620 1.00 0.00 O ATOM 0 H ASP A 64 -3.583 10.679 -4.180 1.00 0.00 H new ATOM 0 HA ASP A 64 -4.252 9.911 -6.915 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -3.990 12.450 -6.855 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -2.335 12.205 -6.334 1.00 0.00 H new ATOM 1071 N LEU A 65 -2.542 8.291 -5.700 1.00 0.00 N ATOM 1072 CA LEU A 65 -1.449 7.345 -5.504 1.00 0.00 C ATOM 1073 C LEU A 65 -1.968 5.909 -5.462 1.00 0.00 C ATOM 1074 O LEU A 65 -3.094 5.659 -5.033 1.00 0.00 O ATOM 1075 CB LEU A 65 -0.694 7.662 -4.212 1.00 0.00 C ATOM 1076 CG LEU A 65 0.428 8.693 -4.353 1.00 0.00 C ATOM 1077 CD1 LEU A 65 -0.025 10.050 -3.836 1.00 0.00 C ATOM 1078 CD2 LEU A 65 1.676 8.231 -3.616 1.00 0.00 C ATOM 0 H LEU A 65 -3.469 7.911 -5.512 1.00 0.00 H new ATOM 0 HA LEU A 65 -0.767 7.442 -6.349 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -1.408 8.023 -3.472 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -0.270 6.737 -3.821 1.00 0.00 H new ATOM 0 HG LEU A 65 0.671 8.792 -5.411 1.00 0.00 H new ATOM 0 HD11 LEU A 65 0.786 10.770 -3.944 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -0.889 10.388 -4.409 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -0.297 9.966 -2.784 1.00 0.00 H new ATOM 0 HD21 LEU A 65 2.462 8.978 -3.728 1.00 0.00 H new ATOM 0 HD22 LEU A 65 1.447 8.102 -2.558 1.00 0.00 H new ATOM 0 HD23 LEU A 65 2.014 7.282 -4.033 1.00 0.00 H new ATOM 1090 N LEU A 66 -1.135 4.974 -5.907 1.00 0.00 N ATOM 1091 CA LEU A 66 -1.505 3.562 -5.918 1.00 0.00 C ATOM 1092 C LEU A 66 -0.605 2.763 -4.980 1.00 0.00 C ATOM 1093 O LEU A 66 0.560 3.104 -4.786 1.00 0.00 O ATOM 1094 CB LEU A 66 -1.409 2.998 -7.337 1.00 0.00 C ATOM 1095 CG LEU A 66 -1.874 3.948 -8.446 1.00 0.00 C ATOM 1096 CD1 LEU A 66 -0.732 4.251 -9.405 1.00 0.00 C ATOM 1097 CD2 LEU A 66 -3.058 3.358 -9.197 1.00 0.00 C ATOM 0 H LEU A 66 -0.200 5.168 -6.265 1.00 0.00 H new ATOM 0 HA LEU A 66 -2.535 3.477 -5.571 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -0.374 2.717 -7.531 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -2.002 2.085 -7.390 1.00 0.00 H new ATOM 0 HG LEU A 66 -2.192 4.882 -7.984 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -1.082 4.927 -10.185 1.00 0.00 H new ATOM 0 HD12 LEU A 66 0.087 4.720 -8.859 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -0.382 3.324 -9.858 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -3.373 4.048 -9.980 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -2.767 2.408 -9.646 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -3.883 3.195 -8.504 1.00 0.00 H new ATOM 1109 N LEU A 67 -1.153 1.699 -4.401 1.00 0.00 N ATOM 1110 CA LEU A 67 -0.394 0.859 -3.482 1.00 0.00 C ATOM 1111 C LEU A 67 -0.878 -0.589 -3.532 1.00 0.00 C ATOM 1112 O LEU A 67 -1.815 -0.964 -2.826 1.00 0.00 O ATOM 1113 CB LEU A 67 -0.508 1.398 -2.055 1.00 0.00 C ATOM 1114 CG LEU A 67 0.800 1.422 -1.262 1.00 0.00 C ATOM 1115 CD1 LEU A 67 0.547 1.868 0.169 1.00 0.00 C ATOM 1116 CD2 LEU A 67 1.467 0.053 -1.288 1.00 0.00 C ATOM 0 H LEU A 67 -2.116 1.399 -4.551 1.00 0.00 H new ATOM 0 HA LEU A 67 0.651 0.881 -3.791 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -0.907 2.411 -2.097 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -1.233 0.792 -1.511 1.00 0.00 H new ATOM 0 HG LEU A 67 1.474 2.139 -1.731 1.00 0.00 H new ATOM 0 HD11 LEU A 67 1.488 1.879 0.718 1.00 0.00 H new ATOM 0 HD12 LEU A 67 0.116 2.869 0.167 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -0.145 1.176 0.649 1.00 0.00 H new ATOM 0 HD21 LEU A 67 2.396 0.090 -0.719 1.00 0.00 H new ATOM 0 HD22 LEU A 67 0.799 -0.686 -0.845 1.00 0.00 H new ATOM 0 HD23 LEU A 67 1.684 -0.226 -2.319 1.00 0.00 H new ATOM 1128 N VAL A 68 -0.232 -1.399 -4.366 1.00 0.00 N ATOM 1129 CA VAL A 68 -0.597 -2.806 -4.499 1.00 0.00 C ATOM 1130 C VAL A 68 0.279 -3.680 -3.605 1.00 0.00 C ATOM 1131 O VAL A 68 1.114 -4.442 -4.088 1.00 0.00 O ATOM 1132 CB VAL A 68 -0.459 -3.281 -5.958 1.00 0.00 C ATOM 1133 CG1 VAL A 68 -0.965 -4.707 -6.112 1.00 0.00 C ATOM 1134 CG2 VAL A 68 -1.200 -2.342 -6.900 1.00 0.00 C ATOM 0 H VAL A 68 0.545 -1.106 -4.958 1.00 0.00 H new ATOM 0 HA VAL A 68 -1.638 -2.901 -4.191 1.00 0.00 H new ATOM 0 HB VAL A 68 0.598 -3.266 -6.222 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -0.858 -5.021 -7.150 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -0.385 -5.370 -5.471 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -2.016 -4.753 -5.826 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -1.091 -2.695 -7.926 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -2.257 -2.320 -6.635 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -0.784 -1.338 -6.815 1.00 0.00 H new ATOM 1144 N TYR A 69 0.081 -3.560 -2.297 1.00 0.00 N ATOM 1145 CA TYR A 69 0.856 -4.330 -1.329 1.00 0.00 C ATOM 1146 C TYR A 69 0.190 -5.665 -1.017 1.00 0.00 C ATOM 1147 O TYR A 69 -0.962 -5.900 -1.379 1.00 0.00 O ATOM 1148 CB TYR A 69 1.037 -3.527 -0.041 1.00 0.00 C ATOM 1149 CG TYR A 69 -0.266 -3.187 0.651 1.00 0.00 C ATOM 1150 CD1 TYR A 69 -1.016 -4.171 1.280 1.00 0.00 C ATOM 1151 CD2 TYR A 69 -0.743 -1.882 0.673 1.00 0.00 C ATOM 1152 CE1 TYR A 69 -2.209 -3.865 1.912 1.00 0.00 C ATOM 1153 CE2 TYR A 69 -1.932 -1.568 1.304 1.00 0.00 C ATOM 1154 CZ TYR A 69 -2.661 -2.562 1.920 1.00 0.00 C ATOM 1155 OH TYR A 69 -3.845 -2.253 2.549 1.00 0.00 O ATOM 0 H TYR A 69 -0.611 -2.936 -1.881 1.00 0.00 H new ATOM 0 HA TYR A 69 1.832 -4.533 -1.770 1.00 0.00 H new ATOM 0 HB2 TYR A 69 1.666 -4.094 0.645 1.00 0.00 H new ATOM 0 HB3 TYR A 69 1.568 -2.603 -0.270 1.00 0.00 H new ATOM 0 HD1 TYR A 69 -0.663 -5.192 1.276 1.00 0.00 H new ATOM 0 HD2 TYR A 69 -0.176 -1.101 0.189 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -2.782 -4.642 2.396 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -2.288 -0.548 1.314 1.00 0.00 H new ATOM 0 HH TYR A 69 -3.658 -1.905 3.446 1.00 0.00 H new ATOM 1165 N GLN A 70 0.929 -6.533 -0.333 1.00 0.00 N ATOM 1166 CA GLN A 70 0.422 -7.848 0.040 1.00 0.00 C ATOM 1167 C GLN A 70 0.816 -8.191 1.474 1.00 0.00 C ATOM 1168 O GLN A 70 1.926 -7.888 1.912 1.00 0.00 O ATOM 1169 CB GLN A 70 0.957 -8.916 -0.918 1.00 0.00 C ATOM 1170 CG GLN A 70 2.471 -9.044 -0.903 1.00 0.00 C ATOM 1171 CD GLN A 70 2.938 -10.465 -1.145 1.00 0.00 C ATOM 1172 OE1 GLN A 70 2.723 -11.351 -0.317 1.00 0.00 O ATOM 1173 NE2 GLN A 70 3.582 -10.692 -2.283 1.00 0.00 N ATOM 0 H GLN A 70 1.884 -6.348 -0.025 1.00 0.00 H new ATOM 0 HA GLN A 70 -0.666 -7.825 -0.026 1.00 0.00 H new ATOM 0 HB2 GLN A 70 0.517 -9.879 -0.658 1.00 0.00 H new ATOM 0 HB3 GLN A 70 0.631 -8.680 -1.931 1.00 0.00 H new ATOM 0 HG2 GLN A 70 2.895 -8.391 -1.666 1.00 0.00 H new ATOM 0 HG3 GLN A 70 2.852 -8.699 0.058 1.00 0.00 H new ATOM 0 HE21 GLN A 70 3.739 -9.929 -2.941 1.00 0.00 H new ATOM 0 HE22 GLN A 70 3.920 -11.630 -2.499 1.00 0.00 H new ATOM 1182 N ILE A 71 -0.098 -8.825 2.201 1.00 0.00 N ATOM 1183 CA ILE A 71 0.157 -9.207 3.585 1.00 0.00 C ATOM 1184 C ILE A 71 0.322 -10.719 3.708 1.00 0.00 C ATOM 1185 O ILE A 71 -0.591 -11.482 3.392 1.00 0.00 O ATOM 1186 CB ILE A 71 -0.979 -8.728 4.521 1.00 0.00 C ATOM 1187 CG1 ILE A 71 -0.897 -7.214 4.731 1.00 0.00 C ATOM 1188 CG2 ILE A 71 -0.921 -9.449 5.863 1.00 0.00 C ATOM 1189 CD1 ILE A 71 -0.864 -6.420 3.443 1.00 0.00 C ATOM 0 H ILE A 71 -1.022 -9.085 1.855 1.00 0.00 H new ATOM 0 HA ILE A 71 1.084 -8.721 3.890 1.00 0.00 H new ATOM 0 HB ILE A 71 -1.930 -8.966 4.045 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -1.753 -6.892 5.324 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -0.003 -6.985 5.311 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -1.730 -9.094 6.502 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -1.028 -10.522 5.704 1.00 0.00 H new ATOM 0 HG23 ILE A 71 0.036 -9.247 6.344 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -0.806 -5.356 3.673 1.00 0.00 H new ATOM 0 HD12 ILE A 71 0.007 -6.713 2.857 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -1.770 -6.618 2.870 1.00 0.00 H new ATOM 1201 N LYS A 72 1.491 -11.142 4.176 1.00 0.00 N ATOM 1202 CA LYS A 72 1.777 -12.561 4.346 1.00 0.00 C ATOM 1203 C LYS A 72 1.444 -13.011 5.766 1.00 0.00 C ATOM 1204 O LYS A 72 2.223 -12.802 6.694 1.00 0.00 O ATOM 1205 CB LYS A 72 3.247 -12.852 4.033 1.00 0.00 C ATOM 1206 CG LYS A 72 4.213 -11.871 4.677 1.00 0.00 C ATOM 1207 CD LYS A 72 4.652 -10.793 3.698 1.00 0.00 C ATOM 1208 CE LYS A 72 6.164 -10.761 3.540 1.00 0.00 C ATOM 1209 NZ LYS A 72 6.575 -10.566 2.121 1.00 0.00 N ATOM 0 H LYS A 72 2.256 -10.522 4.444 1.00 0.00 H new ATOM 0 HA LYS A 72 1.153 -13.120 3.649 1.00 0.00 H new ATOM 0 HB2 LYS A 72 3.488 -13.860 4.369 1.00 0.00 H new ATOM 0 HB3 LYS A 72 3.390 -12.833 2.953 1.00 0.00 H new ATOM 0 HG2 LYS A 72 3.739 -11.407 5.542 1.00 0.00 H new ATOM 0 HG3 LYS A 72 5.088 -12.408 5.044 1.00 0.00 H new ATOM 0 HD2 LYS A 72 4.188 -10.971 2.728 1.00 0.00 H new ATOM 0 HD3 LYS A 72 4.301 -9.821 4.045 1.00 0.00 H new ATOM 0 HE2 LYS A 72 6.575 -9.956 4.150 1.00 0.00 H new ATOM 0 HE3 LYS A 72 6.587 -11.693 3.915 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 7.388 -9.919 2.081 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 6.841 -11.482 1.708 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 5.783 -10.160 1.583 1.00 0.00 H new ATOM 1223 N LYS A 73 0.274 -13.623 5.925 1.00 0.00 N ATOM 1224 CA LYS A 73 -0.173 -14.098 7.229 1.00 0.00 C ATOM 1225 C LYS A 73 0.787 -15.137 7.801 1.00 0.00 C ATOM 1226 O LYS A 73 0.905 -15.281 9.018 1.00 0.00 O ATOM 1227 CB LYS A 73 -1.578 -14.692 7.122 1.00 0.00 C ATOM 1228 CG LYS A 73 -2.646 -13.671 6.767 1.00 0.00 C ATOM 1229 CD LYS A 73 -3.981 -14.013 7.407 1.00 0.00 C ATOM 1230 CE LYS A 73 -4.707 -12.765 7.885 1.00 0.00 C ATOM 1231 NZ LYS A 73 -5.694 -12.279 6.882 1.00 0.00 N ATOM 0 H LYS A 73 -0.382 -13.802 5.165 1.00 0.00 H new ATOM 0 HA LYS A 73 -0.192 -13.244 7.906 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -1.574 -15.478 6.367 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -1.838 -15.162 8.071 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -2.328 -12.681 7.095 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -2.762 -13.626 5.684 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -4.604 -14.545 6.688 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -3.820 -14.686 8.249 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -5.218 -12.979 8.823 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -3.981 -11.979 8.090 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -6.167 -11.427 7.245 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -5.203 -12.050 5.994 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -6.402 -13.020 6.705 1.00 0.00 H new ATOM 1245 N GLN A 74 1.471 -15.861 6.919 1.00 0.00 N ATOM 1246 CA GLN A 74 2.419 -16.888 7.345 1.00 0.00 C ATOM 1247 C GLN A 74 3.431 -16.325 8.338 1.00 0.00 C ATOM 1248 O GLN A 74 3.955 -17.049 9.183 1.00 0.00 O ATOM 1249 CB GLN A 74 3.145 -17.480 6.135 1.00 0.00 C ATOM 1250 CG GLN A 74 3.789 -16.435 5.240 1.00 0.00 C ATOM 1251 CD GLN A 74 3.840 -16.865 3.788 1.00 0.00 C ATOM 1252 OE1 GLN A 74 4.595 -17.766 3.422 1.00 0.00 O ATOM 1253 NE2 GLN A 74 3.038 -16.219 2.950 1.00 0.00 N ATOM 0 H GLN A 74 1.387 -15.757 5.908 1.00 0.00 H new ATOM 0 HA GLN A 74 1.855 -17.678 7.842 1.00 0.00 H new ATOM 0 HB2 GLN A 74 3.913 -18.170 6.485 1.00 0.00 H new ATOM 0 HB3 GLN A 74 2.437 -18.063 5.547 1.00 0.00 H new ATOM 0 HG2 GLN A 74 3.233 -15.501 5.319 1.00 0.00 H new ATOM 0 HG3 GLN A 74 4.801 -16.234 5.592 1.00 0.00 H new ATOM 0 HE21 GLN A 74 2.428 -15.478 3.297 1.00 0.00 H new ATOM 0 HE22 GLN A 74 3.032 -16.463 1.960 1.00 0.00 H new ATOM 1262 N GLU A 75 3.704 -15.029 8.229 1.00 0.00 N ATOM 1263 CA GLU A 75 4.655 -14.371 9.119 1.00 0.00 C ATOM 1264 C GLU A 75 4.166 -12.983 9.537 1.00 0.00 C ATOM 1265 O GLU A 75 4.918 -12.204 10.122 1.00 0.00 O ATOM 1266 CB GLU A 75 6.021 -14.257 8.441 1.00 0.00 C ATOM 1267 CG GLU A 75 5.939 -13.900 6.967 1.00 0.00 C ATOM 1268 CD GLU A 75 7.266 -14.063 6.251 1.00 0.00 C ATOM 1269 OE1 GLU A 75 8.195 -13.279 6.538 1.00 0.00 O ATOM 1270 OE2 GLU A 75 7.378 -14.975 5.405 1.00 0.00 O ATOM 0 H GLU A 75 3.281 -14.414 7.534 1.00 0.00 H new ATOM 0 HA GLU A 75 4.745 -14.982 10.017 1.00 0.00 H new ATOM 0 HB2 GLU A 75 6.612 -13.500 8.957 1.00 0.00 H new ATOM 0 HB3 GLU A 75 6.551 -15.203 8.548 1.00 0.00 H new ATOM 0 HG2 GLU A 75 5.191 -14.530 6.486 1.00 0.00 H new ATOM 0 HG3 GLU A 75 5.600 -12.869 6.865 1.00 0.00 H new ATOM 1277 N ASN A 76 2.902 -12.677 9.239 1.00 0.00 N ATOM 1278 CA ASN A 76 2.321 -11.383 9.589 1.00 0.00 C ATOM 1279 C ASN A 76 3.253 -10.235 9.210 1.00 0.00 C ATOM 1280 O ASN A 76 3.911 -9.647 10.068 1.00 0.00 O ATOM 1281 CB ASN A 76 2.014 -11.330 11.087 1.00 0.00 C ATOM 1282 CG ASN A 76 0.638 -11.876 11.415 1.00 0.00 C ATOM 1283 OD1 ASN A 76 0.081 -12.678 10.666 1.00 0.00 O ATOM 1284 ND2 ASN A 76 0.082 -11.442 12.541 1.00 0.00 N ATOM 0 H ASN A 76 2.263 -13.308 8.756 1.00 0.00 H new ATOM 0 HA ASN A 76 1.395 -11.269 9.026 1.00 0.00 H new ATOM 0 HB2 ASN A 76 2.767 -11.901 11.630 1.00 0.00 H new ATOM 0 HB3 ASN A 76 2.085 -10.299 11.433 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -0.843 -11.774 12.814 1.00 0.00 H new ATOM 0 HD22 ASN A 76 0.580 -10.777 13.132 1.00 0.00 H new ATOM 1291 N THR A 77 3.306 -9.920 7.919 1.00 0.00 N ATOM 1292 CA THR A 77 4.161 -8.842 7.433 1.00 0.00 C ATOM 1293 C THR A 77 3.455 -8.028 6.350 1.00 0.00 C ATOM 1294 O THR A 77 2.623 -8.550 5.607 1.00 0.00 O ATOM 1295 CB THR A 77 5.473 -9.413 6.889 1.00 0.00 C ATOM 1296 OG1 THR A 77 6.227 -10.012 7.929 1.00 0.00 O ATOM 1297 CG2 THR A 77 6.353 -8.379 6.223 1.00 0.00 C ATOM 0 H THR A 77 2.769 -10.394 7.193 1.00 0.00 H new ATOM 0 HA THR A 77 4.380 -8.179 8.270 1.00 0.00 H new ATOM 0 HB THR A 77 5.176 -10.146 6.139 1.00 0.00 H new ATOM 0 HG1 THR A 77 7.061 -10.373 7.562 1.00 0.00 H new ATOM 0 HG21 THR A 77 7.265 -8.855 5.862 1.00 0.00 H new ATOM 0 HG22 THR A 77 5.819 -7.933 5.383 1.00 0.00 H new ATOM 0 HG23 THR A 77 6.610 -7.602 6.943 1.00 0.00 H new ATOM 1305 N LEU A 78 3.801 -6.748 6.266 1.00 0.00 N ATOM 1306 CA LEU A 78 3.211 -5.856 5.275 1.00 0.00 C ATOM 1307 C LEU A 78 4.221 -5.538 4.176 1.00 0.00 C ATOM 1308 O LEU A 78 5.025 -4.615 4.307 1.00 0.00 O ATOM 1309 CB LEU A 78 2.729 -4.563 5.940 1.00 0.00 C ATOM 1310 CG LEU A 78 2.254 -3.472 4.977 1.00 0.00 C ATOM 1311 CD1 LEU A 78 1.212 -4.024 4.017 1.00 0.00 C ATOM 1312 CD2 LEU A 78 1.695 -2.288 5.752 1.00 0.00 C ATOM 0 H LEU A 78 4.489 -6.304 6.874 1.00 0.00 H new ATOM 0 HA LEU A 78 2.354 -6.358 4.826 1.00 0.00 H new ATOM 0 HB2 LEU A 78 1.912 -4.806 6.620 1.00 0.00 H new ATOM 0 HB3 LEU A 78 3.540 -4.161 6.547 1.00 0.00 H new ATOM 0 HG LEU A 78 3.108 -3.130 4.393 1.00 0.00 H new ATOM 0 HD11 LEU A 78 0.886 -3.234 3.340 1.00 0.00 H new ATOM 0 HD12 LEU A 78 1.646 -4.841 3.440 1.00 0.00 H new ATOM 0 HD13 LEU A 78 0.356 -4.394 4.582 1.00 0.00 H new ATOM 0 HD21 LEU A 78 1.361 -1.521 5.053 1.00 0.00 H new ATOM 0 HD22 LEU A 78 0.852 -2.616 6.360 1.00 0.00 H new ATOM 0 HD23 LEU A 78 2.471 -1.878 6.399 1.00 0.00 H new ATOM 1324 N PHE A 79 4.174 -6.311 3.098 1.00 0.00 N ATOM 1325 CA PHE A 79 5.087 -6.118 1.977 1.00 0.00 C ATOM 1326 C PHE A 79 4.498 -5.146 0.958 1.00 0.00 C ATOM 1327 O PHE A 79 3.563 -5.482 0.230 1.00 0.00 O ATOM 1328 CB PHE A 79 5.397 -7.467 1.319 1.00 0.00 C ATOM 1329 CG PHE A 79 6.087 -7.363 -0.014 1.00 0.00 C ATOM 1330 CD1 PHE A 79 7.046 -6.389 -0.244 1.00 0.00 C ATOM 1331 CD2 PHE A 79 5.772 -8.243 -1.037 1.00 0.00 C ATOM 1332 CE1 PHE A 79 7.677 -6.296 -1.470 1.00 0.00 C ATOM 1333 CE2 PHE A 79 6.400 -8.155 -2.265 1.00 0.00 C ATOM 1334 CZ PHE A 79 7.355 -7.180 -2.481 1.00 0.00 C ATOM 0 H PHE A 79 3.513 -7.078 2.976 1.00 0.00 H new ATOM 0 HA PHE A 79 6.015 -5.687 2.353 1.00 0.00 H new ATOM 0 HB2 PHE A 79 6.022 -8.052 1.994 1.00 0.00 H new ATOM 0 HB3 PHE A 79 4.465 -8.018 1.190 1.00 0.00 H new ATOM 0 HD1 PHE A 79 7.303 -5.696 0.543 1.00 0.00 H new ATOM 0 HD2 PHE A 79 5.027 -9.007 -0.873 1.00 0.00 H new ATOM 0 HE1 PHE A 79 8.422 -5.532 -1.637 1.00 0.00 H new ATOM 0 HE2 PHE A 79 6.145 -8.847 -3.054 1.00 0.00 H new ATOM 0 HZ PHE A 79 7.849 -7.109 -3.439 1.00 0.00 H new ATOM 1344 N LEU A 80 5.051 -3.938 0.913 1.00 0.00 N ATOM 1345 CA LEU A 80 4.584 -2.912 -0.012 1.00 0.00 C ATOM 1346 C LEU A 80 4.974 -3.253 -1.448 1.00 0.00 C ATOM 1347 O LEU A 80 5.691 -4.223 -1.693 1.00 0.00 O ATOM 1348 CB LEU A 80 5.160 -1.549 0.376 1.00 0.00 C ATOM 1349 CG LEU A 80 4.840 -1.095 1.801 1.00 0.00 C ATOM 1350 CD1 LEU A 80 6.072 -0.499 2.465 1.00 0.00 C ATOM 1351 CD2 LEU A 80 3.696 -0.091 1.798 1.00 0.00 C ATOM 0 H LEU A 80 5.826 -3.645 1.509 1.00 0.00 H new ATOM 0 HA LEU A 80 3.496 -2.871 0.048 1.00 0.00 H new ATOM 0 HB2 LEU A 80 6.243 -1.581 0.255 1.00 0.00 H new ATOM 0 HB3 LEU A 80 4.784 -0.800 -0.321 1.00 0.00 H new ATOM 0 HG LEU A 80 4.531 -1.968 2.376 1.00 0.00 H new ATOM 0 HD11 LEU A 80 5.822 -0.183 3.478 1.00 0.00 H new ATOM 0 HD12 LEU A 80 6.863 -1.248 2.504 1.00 0.00 H new ATOM 0 HD13 LEU A 80 6.415 0.361 1.890 1.00 0.00 H new ATOM 0 HD21 LEU A 80 3.483 0.220 2.821 1.00 0.00 H new ATOM 0 HD22 LEU A 80 3.977 0.779 1.205 1.00 0.00 H new ATOM 0 HD23 LEU A 80 2.808 -0.553 1.367 1.00 0.00 H new ATOM 1363 N VAL A 81 4.493 -2.452 -2.393 1.00 0.00 N ATOM 1364 CA VAL A 81 4.787 -2.674 -3.803 1.00 0.00 C ATOM 1365 C VAL A 81 4.753 -1.361 -4.589 1.00 0.00 C ATOM 1366 O VAL A 81 5.790 -0.734 -4.805 1.00 0.00 O ATOM 1367 CB VAL A 81 3.792 -3.677 -4.422 1.00 0.00 C ATOM 1368 CG1 VAL A 81 4.049 -3.859 -5.912 1.00 0.00 C ATOM 1369 CG2 VAL A 81 3.861 -5.011 -3.694 1.00 0.00 C ATOM 0 H VAL A 81 3.898 -1.644 -2.208 1.00 0.00 H new ATOM 0 HA VAL A 81 5.792 -3.090 -3.864 1.00 0.00 H new ATOM 0 HB VAL A 81 2.787 -3.272 -4.307 1.00 0.00 H new ATOM 0 HG11 VAL A 81 3.332 -4.571 -6.320 1.00 0.00 H new ATOM 0 HG12 VAL A 81 3.938 -2.901 -6.420 1.00 0.00 H new ATOM 0 HG13 VAL A 81 5.061 -4.235 -6.063 1.00 0.00 H new ATOM 0 HG21 VAL A 81 3.153 -5.708 -4.143 1.00 0.00 H new ATOM 0 HG22 VAL A 81 4.869 -5.417 -3.773 1.00 0.00 H new ATOM 0 HG23 VAL A 81 3.610 -4.865 -2.643 1.00 0.00 H new ATOM 1379 N ARG A 82 3.561 -0.949 -5.018 1.00 0.00 N ATOM 1380 CA ARG A 82 3.410 0.287 -5.779 1.00 0.00 C ATOM 1381 C ARG A 82 3.330 1.490 -4.846 1.00 0.00 C ATOM 1382 O ARG A 82 3.086 1.347 -3.649 1.00 0.00 O ATOM 1383 CB ARG A 82 2.158 0.220 -6.655 1.00 0.00 C ATOM 1384 CG ARG A 82 2.149 1.243 -7.780 1.00 0.00 C ATOM 1385 CD ARG A 82 1.286 0.781 -8.944 1.00 0.00 C ATOM 1386 NE ARG A 82 1.416 1.661 -10.103 1.00 0.00 N ATOM 1387 CZ ARG A 82 0.615 1.609 -11.166 1.00 0.00 C ATOM 1388 NH1 ARG A 82 -0.372 0.724 -11.219 1.00 0.00 N ATOM 1389 NH2 ARG A 82 0.803 2.445 -12.178 1.00 0.00 N ATOM 0 H ARG A 82 2.689 -1.452 -4.852 1.00 0.00 H new ATOM 0 HA ARG A 82 4.285 0.403 -6.418 1.00 0.00 H new ATOM 0 HB2 ARG A 82 2.077 -0.779 -7.083 1.00 0.00 H new ATOM 0 HB3 ARG A 82 1.278 0.372 -6.030 1.00 0.00 H new ATOM 0 HG2 ARG A 82 1.776 2.196 -7.404 1.00 0.00 H new ATOM 0 HG3 ARG A 82 3.168 1.414 -8.126 1.00 0.00 H new ATOM 0 HD2 ARG A 82 1.569 -0.233 -9.225 1.00 0.00 H new ATOM 0 HD3 ARG A 82 0.243 0.746 -8.630 1.00 0.00 H new ATOM 0 HE ARG A 82 2.163 2.355 -10.098 1.00 0.00 H new ATOM 0 HH11 ARG A 82 -0.521 0.079 -10.443 1.00 0.00 H new ATOM 0 HH12 ARG A 82 -0.982 0.689 -12.036 1.00 0.00 H new ATOM 0 HH21 ARG A 82 1.561 3.127 -12.142 1.00 0.00 H new ATOM 0 HH22 ARG A 82 0.190 2.406 -12.992 1.00 0.00 H new ATOM 1403 N LEU A 83 3.537 2.679 -5.404 1.00 0.00 N ATOM 1404 CA LEU A 83 3.488 3.908 -4.622 1.00 0.00 C ATOM 1405 C LEU A 83 3.649 5.131 -5.520 1.00 0.00 C ATOM 1406 O LEU A 83 4.768 5.540 -5.835 1.00 0.00 O ATOM 1407 CB LEU A 83 4.580 3.900 -3.551 1.00 0.00 C ATOM 1408 CG LEU A 83 4.331 4.830 -2.363 1.00 0.00 C ATOM 1409 CD1 LEU A 83 4.399 6.285 -2.801 1.00 0.00 C ATOM 1410 CD2 LEU A 83 2.986 4.525 -1.722 1.00 0.00 C ATOM 0 H LEU A 83 3.740 2.817 -6.394 1.00 0.00 H new ATOM 0 HA LEU A 83 2.513 3.962 -4.137 1.00 0.00 H new ATOM 0 HB2 LEU A 83 4.694 2.882 -3.178 1.00 0.00 H new ATOM 0 HB3 LEU A 83 5.526 4.176 -4.017 1.00 0.00 H new ATOM 0 HG LEU A 83 5.111 4.660 -1.621 1.00 0.00 H new ATOM 0 HD11 LEU A 83 4.219 6.932 -1.943 1.00 0.00 H new ATOM 0 HD12 LEU A 83 5.386 6.495 -3.214 1.00 0.00 H new ATOM 0 HD13 LEU A 83 3.641 6.472 -3.561 1.00 0.00 H new ATOM 0 HD21 LEU A 83 2.825 5.196 -0.878 1.00 0.00 H new ATOM 0 HD22 LEU A 83 2.193 4.667 -2.456 1.00 0.00 H new ATOM 0 HD23 LEU A 83 2.975 3.493 -1.372 1.00 0.00 H new ATOM 1422 N GLY A 84 2.526 5.712 -5.928 1.00 0.00 N ATOM 1423 CA GLY A 84 2.566 6.882 -6.785 1.00 0.00 C ATOM 1424 C GLY A 84 1.437 6.903 -7.796 1.00 0.00 C ATOM 1425 O GLY A 84 0.497 6.115 -7.701 1.00 0.00 O ATOM 0 H GLY A 84 1.589 5.394 -5.681 1.00 0.00 H new ATOM 0 HA2 GLY A 84 2.515 7.780 -6.170 1.00 0.00 H new ATOM 0 HA3 GLY A 84 3.520 6.910 -7.311 1.00 0.00 H new ATOM 1429 N SER A 85 1.528 7.808 -8.765 1.00 0.00 N ATOM 1430 CA SER A 85 0.505 7.928 -9.798 1.00 0.00 C ATOM 1431 C SER A 85 1.057 7.527 -11.162 1.00 0.00 C ATOM 1432 O SER A 85 2.270 7.526 -11.375 1.00 0.00 O ATOM 1433 CB SER A 85 -0.028 9.362 -9.854 1.00 0.00 C ATOM 1434 OG SER A 85 -1.151 9.456 -10.713 1.00 0.00 O ATOM 0 H SER A 85 2.299 8.469 -8.857 1.00 0.00 H new ATOM 0 HA SER A 85 -0.312 7.252 -9.544 1.00 0.00 H new ATOM 0 HB2 SER A 85 -0.304 9.690 -8.852 1.00 0.00 H new ATOM 0 HB3 SER A 85 0.758 10.032 -10.203 1.00 0.00 H new ATOM 0 HG SER A 85 -1.713 10.210 -10.436 1.00 0.00 H new ATOM 1440 N HIS A 86 0.161 7.187 -12.081 1.00 0.00 N ATOM 1441 CA HIS A 86 0.557 6.784 -13.425 1.00 0.00 C ATOM 1442 C HIS A 86 1.272 7.922 -14.146 1.00 0.00 C ATOM 1443 O HIS A 86 2.245 7.700 -14.868 1.00 0.00 O ATOM 1444 CB HIS A 86 -0.665 6.341 -14.231 1.00 0.00 C ATOM 1445 CG HIS A 86 -1.797 7.320 -14.185 1.00 0.00 C ATOM 1446 ND1 HIS A 86 -1.908 8.384 -15.058 1.00 0.00 N ATOM 1447 CD2 HIS A 86 -2.873 7.394 -13.366 1.00 0.00 C ATOM 1448 CE1 HIS A 86 -3.003 9.067 -14.776 1.00 0.00 C ATOM 1449 NE2 HIS A 86 -3.606 8.488 -13.755 1.00 0.00 N ATOM 0 H HIS A 86 -0.846 7.182 -11.920 1.00 0.00 H new ATOM 0 HA HIS A 86 1.246 5.944 -13.336 1.00 0.00 H new ATOM 0 HB2 HIS A 86 -0.370 6.187 -15.269 1.00 0.00 H new ATOM 0 HB3 HIS A 86 -1.011 5.379 -13.852 1.00 0.00 H new ATOM 0 HD2 HIS A 86 -3.110 6.718 -12.558 1.00 0.00 H new ATOM 0 HE1 HIS A 86 -3.347 9.950 -15.294 1.00 0.00 H new ATOM 0 HE2 HIS A 86 -4.476 8.802 -13.325 1.00 0.00 H new ATOM 1458 N SER A 87 0.781 9.141 -13.948 1.00 0.00 N ATOM 1459 CA SER A 87 1.372 10.314 -14.582 1.00 0.00 C ATOM 1460 C SER A 87 2.724 10.646 -13.960 1.00 0.00 C ATOM 1461 O SER A 87 3.629 11.130 -14.639 1.00 0.00 O ATOM 1462 CB SER A 87 0.432 11.515 -14.457 1.00 0.00 C ATOM 1463 OG SER A 87 -0.851 11.217 -14.981 1.00 0.00 O ATOM 0 H SER A 87 -0.024 9.342 -13.354 1.00 0.00 H new ATOM 0 HA SER A 87 1.524 10.088 -15.637 1.00 0.00 H new ATOM 0 HB2 SER A 87 0.342 11.803 -13.410 1.00 0.00 H new ATOM 0 HB3 SER A 87 0.855 12.368 -14.987 1.00 0.00 H new ATOM 0 HG SER A 87 -1.433 12.000 -14.887 1.00 0.00 H new ATOM 1469 N GLU A 88 2.854 10.383 -12.664 1.00 0.00 N ATOM 1470 CA GLU A 88 4.097 10.654 -11.950 1.00 0.00 C ATOM 1471 C GLU A 88 5.209 9.719 -12.419 1.00 0.00 C ATOM 1472 O GLU A 88 6.319 10.158 -12.715 1.00 0.00 O ATOM 1473 CB GLU A 88 3.886 10.501 -10.441 1.00 0.00 C ATOM 1474 CG GLU A 88 3.660 11.822 -9.723 1.00 0.00 C ATOM 1475 CD GLU A 88 2.237 12.325 -9.867 1.00 0.00 C ATOM 1476 OE1 GLU A 88 1.765 12.454 -11.015 1.00 0.00 O ATOM 1477 OE2 GLU A 88 1.593 12.589 -8.829 1.00 0.00 O ATOM 0 H GLU A 88 2.114 9.983 -12.087 1.00 0.00 H new ATOM 0 HA GLU A 88 4.396 11.680 -12.166 1.00 0.00 H new ATOM 0 HB2 GLU A 88 3.029 9.850 -10.266 1.00 0.00 H new ATOM 0 HB3 GLU A 88 4.756 10.006 -10.009 1.00 0.00 H new ATOM 0 HG2 GLU A 88 3.894 11.702 -8.665 1.00 0.00 H new ATOM 0 HG3 GLU A 88 4.348 12.569 -10.119 1.00 0.00 H new ATOM 1484 N LEU A 89 4.901 8.428 -12.485 1.00 0.00 N ATOM 1485 CA LEU A 89 5.873 7.431 -12.919 1.00 0.00 C ATOM 1486 C LEU A 89 6.367 7.727 -14.331 1.00 0.00 C ATOM 1487 O LEU A 89 7.498 7.395 -14.687 1.00 0.00 O ATOM 1488 CB LEU A 89 5.258 6.031 -12.865 1.00 0.00 C ATOM 1489 CG LEU A 89 5.359 5.331 -11.508 1.00 0.00 C ATOM 1490 CD1 LEU A 89 4.163 5.681 -10.638 1.00 0.00 C ATOM 1491 CD2 LEU A 89 5.463 3.825 -11.695 1.00 0.00 C ATOM 0 H LEU A 89 3.986 8.048 -12.243 1.00 0.00 H new ATOM 0 HA LEU A 89 6.725 7.474 -12.240 1.00 0.00 H new ATOM 0 HB2 LEU A 89 4.206 6.102 -13.143 1.00 0.00 H new ATOM 0 HB3 LEU A 89 5.745 5.408 -13.615 1.00 0.00 H new ATOM 0 HG LEU A 89 6.261 5.679 -11.005 1.00 0.00 H new ATOM 0 HD11 LEU A 89 4.252 5.174 -9.677 1.00 0.00 H new ATOM 0 HD12 LEU A 89 4.132 6.759 -10.479 1.00 0.00 H new ATOM 0 HD13 LEU A 89 3.246 5.361 -11.134 1.00 0.00 H new ATOM 0 HD21 LEU A 89 5.534 3.341 -10.721 1.00 0.00 H new ATOM 0 HD22 LEU A 89 4.578 3.461 -12.217 1.00 0.00 H new ATOM 0 HD23 LEU A 89 6.352 3.592 -12.282 1.00 0.00 H new ATOM 1503 N PHE A 90 5.512 8.355 -15.133 1.00 0.00 N ATOM 1504 CA PHE A 90 5.863 8.697 -16.507 1.00 0.00 C ATOM 1505 C PHE A 90 7.097 9.594 -16.548 1.00 0.00 C ATOM 1506 O PHE A 90 8.216 9.052 -16.652 1.00 0.00 O ATOM 1507 CB PHE A 90 4.686 9.394 -17.195 1.00 0.00 C ATOM 1508 CG PHE A 90 3.903 8.490 -18.105 1.00 0.00 C ATOM 1509 CD1 PHE A 90 4.535 7.790 -19.120 1.00 0.00 C ATOM 1510 CD2 PHE A 90 2.535 8.341 -17.944 1.00 0.00 C ATOM 1511 CE1 PHE A 90 3.818 6.958 -19.958 1.00 0.00 C ATOM 1512 CE2 PHE A 90 1.813 7.510 -18.778 1.00 0.00 C ATOM 1513 CZ PHE A 90 2.454 6.818 -19.787 1.00 0.00 C ATOM 0 H PHE A 90 4.572 8.637 -14.855 1.00 0.00 H new ATOM 0 HA PHE A 90 6.092 7.774 -17.039 1.00 0.00 H new ATOM 0 HB2 PHE A 90 4.018 9.798 -16.434 1.00 0.00 H new ATOM 0 HB3 PHE A 90 5.061 10.240 -17.771 1.00 0.00 H new ATOM 0 HD1 PHE A 90 5.601 7.896 -19.258 1.00 0.00 H new ATOM 0 HD2 PHE A 90 2.028 8.881 -17.158 1.00 0.00 H new ATOM 0 HE1 PHE A 90 4.323 6.418 -20.745 1.00 0.00 H new ATOM 0 HE2 PHE A 90 0.747 7.401 -18.641 1.00 0.00 H new ATOM 0 HZ PHE A 90 1.890 6.169 -20.441 1.00 0.00 H new TER 1523 PHE A 90