USER MOD reduce.3.24.130724 H: found=0, std=0, add=788, rem=0, adj=16 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 3 THR OG1 : rot 105:sc= 0.476 USER MOD Set 1.2: A 77 THR OG1 : rot 180:sc= 0.377 USER MOD Set 2.1: A 36 THR OG1 : rot -97:sc= -0.447 USER MOD Set 2.2: A 38 GLN : amide:sc= -0.164 K(o=-0.61,f=-2.5!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -173:sc= -1.09 (180deg=-1.11) USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 SER OG : rot 43:sc= 0.3 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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= -0.0695 K(o=-0.069,f=-0.91) USER MOD Single : A 25 LYS NZ :NH3+ -162:sc= -0.0651 (180deg=-0.404) 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= -0.205 K(o=-0.21,f=-2.2!) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 TYR OH : rot -146:sc= 0.289 USER MOD Single : A 45 LYS NZ :NH3+ -138:sc= -0.162 (180deg=-1.03) USER MOD Single : A 47 HIS :FLIP no HE2:sc= -0.0772 F(o=-0.89,f=-0.077) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 CYS SG : rot -60:sc= -1.05 USER MOD Single : A 60 HIS :FLIP no HD1:sc= -0.101 F(o=-1.2,f=-0.1) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 TYR OH : rot 34:sc= -0.547 USER MOD Single : A 70 GLN : amide:sc= 0.0106 X(o=0.011,f=0) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 GLN : amide:sc= -1.69 K(o=-1.7,f=-2.4!) USER MOD Single : A 76 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 85 SER OG : rot -110:sc= -1.12 USER MOD Single : A 86 HIS : no HD1:sc= -1.11 K(o=-1.1,f=-2.4!) USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -0.024 -4.705 13.154 1.00 0.00 N ATOM 2 CA MET A 1 0.945 -5.558 13.892 1.00 0.00 C ATOM 3 C MET A 1 1.711 -6.473 12.940 1.00 0.00 C ATOM 4 O MET A 1 1.712 -7.693 13.100 1.00 0.00 O ATOM 5 CB MET A 1 0.175 -6.387 14.924 1.00 0.00 C ATOM 6 CG MET A 1 0.898 -6.527 16.254 1.00 0.00 C ATOM 7 SD MET A 1 0.160 -5.521 17.556 1.00 0.00 S ATOM 8 CE MET A 1 1.547 -5.349 18.678 1.00 0.00 C ATOM 0 H1 MET A 1 -0.444 -4.013 13.806 1.00 0.00 H new ATOM 0 H2 MET A 1 0.468 -4.204 12.387 1.00 0.00 H new ATOM 0 H3 MET A 1 -0.775 -5.301 12.751 1.00 0.00 H new ATOM 0 HA MET A 1 1.676 -4.923 14.392 1.00 0.00 H new ATOM 0 HB2 MET A 1 -0.798 -5.926 15.095 1.00 0.00 H new ATOM 0 HB3 MET A 1 -0.011 -7.380 14.515 1.00 0.00 H new ATOM 0 HG2 MET A 1 0.889 -7.573 16.560 1.00 0.00 H new ATOM 0 HG3 MET A 1 1.942 -6.241 16.127 1.00 0.00 H new ATOM 0 HE1 MET A 1 1.247 -4.749 19.538 1.00 0.00 H new ATOM 0 HE2 MET A 1 1.865 -6.335 19.017 1.00 0.00 H new ATOM 0 HE3 MET A 1 2.373 -4.858 18.163 1.00 0.00 H new ATOM 20 N LEU A 2 2.360 -5.873 11.948 1.00 0.00 N ATOM 21 CA LEU A 2 3.130 -6.630 10.969 1.00 0.00 C ATOM 22 C LEU A 2 4.361 -5.850 10.525 1.00 0.00 C ATOM 23 O LEU A 2 4.352 -4.619 10.494 1.00 0.00 O ATOM 24 CB LEU A 2 2.260 -6.968 9.757 1.00 0.00 C ATOM 25 CG LEU A 2 0.822 -7.375 10.083 1.00 0.00 C ATOM 26 CD1 LEU A 2 -0.079 -6.151 10.145 1.00 0.00 C ATOM 27 CD2 LEU A 2 0.305 -8.369 9.054 1.00 0.00 C ATOM 0 H LEU A 2 2.368 -4.864 11.801 1.00 0.00 H new ATOM 0 HA LEU A 2 3.460 -7.556 11.440 1.00 0.00 H new ATOM 0 HB2 LEU A 2 2.235 -6.103 9.095 1.00 0.00 H new ATOM 0 HB3 LEU A 2 2.734 -7.779 9.204 1.00 0.00 H new ATOM 0 HG LEU A 2 0.813 -7.856 11.061 1.00 0.00 H new ATOM 0 HD11 LEU A 2 -1.098 -6.461 10.378 1.00 0.00 H new ATOM 0 HD12 LEU A 2 0.280 -5.473 10.919 1.00 0.00 H new ATOM 0 HD13 LEU A 2 -0.066 -5.641 9.182 1.00 0.00 H new ATOM 0 HD21 LEU A 2 -0.719 -8.648 9.301 1.00 0.00 H new ATOM 0 HD22 LEU A 2 0.329 -7.913 8.064 1.00 0.00 H new ATOM 0 HD23 LEU A 2 0.935 -9.259 9.059 1.00 0.00 H new ATOM 39 N THR A 3 5.423 -6.573 10.181 1.00 0.00 N ATOM 40 CA THR A 3 6.664 -5.947 9.739 1.00 0.00 C ATOM 41 C THR A 3 6.451 -5.177 8.439 1.00 0.00 C ATOM 42 O THR A 3 5.341 -5.126 7.911 1.00 0.00 O ATOM 43 CB THR A 3 7.757 -7.000 9.549 1.00 0.00 C ATOM 44 OG1 THR A 3 7.369 -8.238 10.117 1.00 0.00 O ATOM 45 CG2 THR A 3 9.081 -6.605 10.168 1.00 0.00 C ATOM 0 H THR A 3 5.449 -7.593 10.200 1.00 0.00 H new ATOM 0 HA THR A 3 6.980 -5.245 10.510 1.00 0.00 H new ATOM 0 HB THR A 3 7.889 -7.087 8.470 1.00 0.00 H new ATOM 0 HG1 THR A 3 7.121 -8.862 9.403 1.00 0.00 H new ATOM 0 HG21 THR A 3 9.812 -7.395 9.998 1.00 0.00 H new ATOM 0 HG22 THR A 3 9.434 -5.679 9.713 1.00 0.00 H new ATOM 0 HG23 THR A 3 8.951 -6.456 11.240 1.00 0.00 H new ATOM 53 N ILE A 4 7.525 -4.583 7.930 1.00 0.00 N ATOM 54 CA ILE A 4 7.458 -3.817 6.694 1.00 0.00 C ATOM 55 C ILE A 4 8.576 -4.219 5.737 1.00 0.00 C ATOM 56 O ILE A 4 9.755 -4.005 6.018 1.00 0.00 O ATOM 57 CB ILE A 4 7.552 -2.305 6.971 1.00 0.00 C ATOM 58 CG1 ILE A 4 6.524 -1.892 8.025 1.00 0.00 C ATOM 59 CG2 ILE A 4 7.350 -1.520 5.687 1.00 0.00 C ATOM 60 CD1 ILE A 4 7.085 -1.835 9.429 1.00 0.00 C ATOM 0 H ILE A 4 8.451 -4.618 8.355 1.00 0.00 H new ATOM 0 HA ILE A 4 6.495 -4.037 6.233 1.00 0.00 H new ATOM 0 HB ILE A 4 8.547 -2.081 7.357 1.00 0.00 H new ATOM 0 HG12 ILE A 4 6.121 -0.913 7.764 1.00 0.00 H new ATOM 0 HG13 ILE A 4 5.692 -2.595 8.004 1.00 0.00 H new ATOM 0 HG21 ILE A 4 7.419 -0.453 5.898 1.00 0.00 H new ATOM 0 HG22 ILE A 4 8.119 -1.798 4.966 1.00 0.00 H new ATOM 0 HG23 ILE A 4 6.367 -1.745 5.274 1.00 0.00 H new ATOM 0 HD11 ILE A 4 6.300 -1.535 10.123 1.00 0.00 H new ATOM 0 HD12 ILE A 4 7.462 -2.818 9.710 1.00 0.00 H new ATOM 0 HD13 ILE A 4 7.898 -1.110 9.467 1.00 0.00 H new ATOM 72 N GLU A 5 8.198 -4.800 4.604 1.00 0.00 N ATOM 73 CA GLU A 5 9.168 -5.229 3.603 1.00 0.00 C ATOM 74 C GLU A 5 9.145 -4.298 2.395 1.00 0.00 C ATOM 75 O GLU A 5 8.244 -3.469 2.256 1.00 0.00 O ATOM 76 CB GLU A 5 8.880 -6.666 3.164 1.00 0.00 C ATOM 77 CG GLU A 5 9.723 -7.703 3.887 1.00 0.00 C ATOM 78 CD GLU A 5 11.163 -7.717 3.413 1.00 0.00 C ATOM 79 OE1 GLU A 5 11.396 -8.055 2.233 1.00 0.00 O ATOM 80 OE2 GLU A 5 12.058 -7.388 4.219 1.00 0.00 O ATOM 0 H GLU A 5 7.226 -4.985 4.355 1.00 0.00 H new ATOM 0 HA GLU A 5 10.161 -5.189 4.052 1.00 0.00 H new ATOM 0 HB2 GLU A 5 7.826 -6.885 3.334 1.00 0.00 H new ATOM 0 HB3 GLU A 5 9.055 -6.751 2.091 1.00 0.00 H new ATOM 0 HG2 GLU A 5 9.699 -7.503 4.958 1.00 0.00 H new ATOM 0 HG3 GLU A 5 9.285 -8.690 3.737 1.00 0.00 H new ATOM 87 N THR A 6 10.140 -4.437 1.525 1.00 0.00 N ATOM 88 CA THR A 6 10.231 -3.604 0.332 1.00 0.00 C ATOM 89 C THR A 6 10.623 -4.433 -0.887 1.00 0.00 C ATOM 90 O THR A 6 11.341 -5.427 -0.770 1.00 0.00 O ATOM 91 CB THR A 6 11.246 -2.481 0.545 1.00 0.00 C ATOM 92 OG1 THR A 6 12.522 -3.012 0.856 1.00 0.00 O ATOM 93 CG2 THR A 6 10.861 -1.529 1.657 1.00 0.00 C ATOM 0 H THR A 6 10.893 -5.118 1.624 1.00 0.00 H new ATOM 0 HA THR A 6 9.248 -3.169 0.151 1.00 0.00 H new ATOM 0 HB THR A 6 11.266 -1.927 -0.394 1.00 0.00 H new ATOM 0 HG1 THR A 6 13.158 -2.278 0.987 1.00 0.00 H new ATOM 0 HG21 THR A 6 11.624 -0.757 1.755 1.00 0.00 H new ATOM 0 HG22 THR A 6 9.903 -1.065 1.423 1.00 0.00 H new ATOM 0 HG23 THR A 6 10.779 -2.079 2.595 1.00 0.00 H new ATOM 101 N SER A 7 10.147 -4.018 -2.057 1.00 0.00 N ATOM 102 CA SER A 7 10.446 -4.720 -3.300 1.00 0.00 C ATOM 103 C SER A 7 11.499 -3.967 -4.109 1.00 0.00 C ATOM 104 O SER A 7 12.137 -3.043 -3.608 1.00 0.00 O ATOM 105 CB SER A 7 9.174 -4.890 -4.133 1.00 0.00 C ATOM 106 OG SER A 7 9.421 -5.671 -5.287 1.00 0.00 O ATOM 0 H SER A 7 9.552 -3.198 -2.170 1.00 0.00 H new ATOM 0 HA SER A 7 10.841 -5.704 -3.047 1.00 0.00 H new ATOM 0 HB2 SER A 7 8.400 -5.363 -3.528 1.00 0.00 H new ATOM 0 HB3 SER A 7 8.795 -3.911 -4.427 1.00 0.00 H new ATOM 0 HG SER A 7 9.985 -6.436 -5.050 1.00 0.00 H new ATOM 112 N LYS A 8 11.672 -4.371 -5.364 1.00 0.00 N ATOM 113 CA LYS A 8 12.645 -3.735 -6.244 1.00 0.00 C ATOM 114 C LYS A 8 12.048 -2.499 -6.908 1.00 0.00 C ATOM 115 O LYS A 8 12.667 -1.434 -6.929 1.00 0.00 O ATOM 116 CB LYS A 8 13.119 -4.722 -7.312 1.00 0.00 C ATOM 117 CG LYS A 8 13.813 -5.950 -6.743 1.00 0.00 C ATOM 118 CD LYS A 8 14.248 -6.904 -7.842 1.00 0.00 C ATOM 119 CE LYS A 8 15.506 -6.413 -8.540 1.00 0.00 C ATOM 120 NZ LYS A 8 16.165 -7.493 -9.327 1.00 0.00 N ATOM 0 H LYS A 8 11.151 -5.136 -5.794 1.00 0.00 H new ATOM 0 HA LYS A 8 13.498 -3.426 -5.640 1.00 0.00 H new ATOM 0 HB2 LYS A 8 12.262 -5.042 -7.905 1.00 0.00 H new ATOM 0 HB3 LYS A 8 13.802 -4.210 -7.990 1.00 0.00 H new ATOM 0 HG2 LYS A 8 14.683 -5.641 -6.163 1.00 0.00 H new ATOM 0 HG3 LYS A 8 13.139 -6.465 -6.058 1.00 0.00 H new ATOM 0 HD2 LYS A 8 14.428 -7.892 -7.418 1.00 0.00 H new ATOM 0 HD3 LYS A 8 13.445 -7.012 -8.571 1.00 0.00 H new ATOM 0 HE2 LYS A 8 15.254 -5.585 -9.202 1.00 0.00 H new ATOM 0 HE3 LYS A 8 16.205 -6.027 -7.798 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 17.018 -7.116 -9.787 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 16.429 -8.273 -8.692 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 15.508 -7.845 -10.052 1.00 0.00 H new ATOM 134 N LYS A 9 10.845 -2.648 -7.450 1.00 0.00 N ATOM 135 CA LYS A 9 10.162 -1.543 -8.116 1.00 0.00 C ATOM 136 C LYS A 9 9.707 -0.494 -7.106 1.00 0.00 C ATOM 137 O LYS A 9 9.592 0.687 -7.433 1.00 0.00 O ATOM 138 CB LYS A 9 8.959 -2.063 -8.905 1.00 0.00 C ATOM 139 CG LYS A 9 9.301 -3.199 -9.857 1.00 0.00 C ATOM 140 CD LYS A 9 8.101 -3.601 -10.699 1.00 0.00 C ATOM 141 CE LYS A 9 8.254 -5.009 -11.250 1.00 0.00 C ATOM 142 NZ LYS A 9 6.964 -5.755 -11.238 1.00 0.00 N ATOM 0 H LYS A 9 10.321 -3.523 -7.442 1.00 0.00 H new ATOM 0 HA LYS A 9 10.866 -1.076 -8.804 1.00 0.00 H new ATOM 0 HB2 LYS A 9 8.196 -2.404 -8.205 1.00 0.00 H new ATOM 0 HB3 LYS A 9 8.525 -1.241 -9.474 1.00 0.00 H new ATOM 0 HG2 LYS A 9 10.119 -2.894 -10.510 1.00 0.00 H new ATOM 0 HG3 LYS A 9 9.652 -4.060 -9.287 1.00 0.00 H new ATOM 0 HD2 LYS A 9 7.195 -3.542 -10.095 1.00 0.00 H new ATOM 0 HD3 LYS A 9 7.981 -2.898 -11.523 1.00 0.00 H new ATOM 0 HE2 LYS A 9 8.635 -4.960 -12.270 1.00 0.00 H new ATOM 0 HE3 LYS A 9 8.992 -5.551 -10.659 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 7.112 -6.710 -11.622 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 6.612 -5.825 -10.262 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 6.266 -5.252 -11.822 1.00 0.00 H new ATOM 156 N PHE A 10 9.448 -0.931 -5.877 1.00 0.00 N ATOM 157 CA PHE A 10 9.004 -0.030 -4.821 1.00 0.00 C ATOM 158 C PHE A 10 10.006 1.102 -4.611 1.00 0.00 C ATOM 159 O PHE A 10 9.631 2.214 -4.237 1.00 0.00 O ATOM 160 CB PHE A 10 8.808 -0.805 -3.515 1.00 0.00 C ATOM 161 CG PHE A 10 8.399 0.060 -2.355 1.00 0.00 C ATOM 162 CD1 PHE A 10 7.414 1.023 -2.505 1.00 0.00 C ATOM 163 CD2 PHE A 10 8.999 -0.092 -1.116 1.00 0.00 C ATOM 164 CE1 PHE A 10 7.037 1.820 -1.441 1.00 0.00 C ATOM 165 CE2 PHE A 10 8.627 0.701 -0.048 1.00 0.00 C ATOM 166 CZ PHE A 10 7.644 1.657 -0.210 1.00 0.00 C ATOM 0 H PHE A 10 9.538 -1.905 -5.589 1.00 0.00 H new ATOM 0 HA PHE A 10 8.053 0.407 -5.125 1.00 0.00 H new ATOM 0 HB2 PHE A 10 8.050 -1.573 -3.669 1.00 0.00 H new ATOM 0 HB3 PHE A 10 9.736 -1.318 -3.265 1.00 0.00 H new ATOM 0 HD1 PHE A 10 6.935 1.152 -3.465 1.00 0.00 H new ATOM 0 HD2 PHE A 10 9.767 -0.840 -0.983 1.00 0.00 H new ATOM 0 HE1 PHE A 10 6.270 2.569 -1.571 1.00 0.00 H new ATOM 0 HE2 PHE A 10 9.104 0.573 0.912 1.00 0.00 H new ATOM 0 HZ PHE A 10 7.350 2.277 0.624 1.00 0.00 H new ATOM 176 N ASP A 11 11.281 0.814 -4.856 1.00 0.00 N ATOM 177 CA ASP A 11 12.333 1.809 -4.692 1.00 0.00 C ATOM 178 C ASP A 11 12.318 2.813 -5.842 1.00 0.00 C ATOM 179 O ASP A 11 12.390 4.021 -5.625 1.00 0.00 O ATOM 180 CB ASP A 11 13.700 1.127 -4.612 1.00 0.00 C ATOM 181 CG ASP A 11 14.157 0.913 -3.181 1.00 0.00 C ATOM 182 OD1 ASP A 11 13.832 1.762 -2.323 1.00 0.00 O ATOM 183 OD2 ASP A 11 14.836 -0.100 -2.920 1.00 0.00 O ATOM 0 H ASP A 11 11.609 -0.100 -5.168 1.00 0.00 H new ATOM 0 HA ASP A 11 12.148 2.347 -3.762 1.00 0.00 H new ATOM 0 HB2 ASP A 11 13.654 0.166 -5.123 1.00 0.00 H new ATOM 0 HB3 ASP A 11 14.437 1.733 -5.139 1.00 0.00 H new ATOM 188 N LYS A 12 12.226 2.300 -7.065 1.00 0.00 N ATOM 189 CA LYS A 12 12.203 3.150 -8.250 1.00 0.00 C ATOM 190 C LYS A 12 10.929 3.989 -8.302 1.00 0.00 C ATOM 191 O LYS A 12 10.884 5.025 -8.967 1.00 0.00 O ATOM 192 CB LYS A 12 12.317 2.297 -9.515 1.00 0.00 C ATOM 193 CG LYS A 12 13.722 1.775 -9.771 1.00 0.00 C ATOM 194 CD LYS A 12 13.696 0.400 -10.417 1.00 0.00 C ATOM 195 CE LYS A 12 13.617 0.498 -11.932 1.00 0.00 C ATOM 196 NZ LYS A 12 14.963 0.430 -12.565 1.00 0.00 N ATOM 0 H LYS A 12 12.166 1.301 -7.261 1.00 0.00 H new ATOM 0 HA LYS A 12 13.056 3.827 -8.195 1.00 0.00 H new ATOM 0 HB2 LYS A 12 11.633 1.452 -9.437 1.00 0.00 H new ATOM 0 HB3 LYS A 12 11.996 2.888 -10.372 1.00 0.00 H new ATOM 0 HG2 LYS A 12 14.258 2.471 -10.416 1.00 0.00 H new ATOM 0 HG3 LYS A 12 14.270 1.726 -8.830 1.00 0.00 H new ATOM 0 HD2 LYS A 12 14.591 -0.153 -10.133 1.00 0.00 H new ATOM 0 HD3 LYS A 12 12.841 -0.163 -10.043 1.00 0.00 H new ATOM 0 HE2 LYS A 12 12.994 -0.310 -12.316 1.00 0.00 H new ATOM 0 HE3 LYS A 12 13.132 1.434 -12.210 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 14.865 0.500 -13.598 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 15.550 1.216 -12.219 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 15.416 -0.474 -12.321 1.00 0.00 H new ATOM 210 N ASP A 13 9.892 3.537 -7.602 1.00 0.00 N ATOM 211 CA ASP A 13 8.619 4.249 -7.575 1.00 0.00 C ATOM 212 C ASP A 13 8.614 5.325 -6.492 1.00 0.00 C ATOM 213 O ASP A 13 7.926 6.338 -6.613 1.00 0.00 O ATOM 214 CB ASP A 13 7.468 3.267 -7.345 1.00 0.00 C ATOM 215 CG ASP A 13 6.492 3.237 -8.505 1.00 0.00 C ATOM 216 OD1 ASP A 13 5.563 4.073 -8.519 1.00 0.00 O ATOM 217 OD2 ASP A 13 6.656 2.380 -9.398 1.00 0.00 O ATOM 0 H ASP A 13 9.909 2.682 -7.047 1.00 0.00 H new ATOM 0 HA ASP A 13 8.484 4.737 -8.540 1.00 0.00 H new ATOM 0 HB2 ASP A 13 7.873 2.267 -7.189 1.00 0.00 H new ATOM 0 HB3 ASP A 13 6.937 3.542 -6.434 1.00 0.00 H new ATOM 222 N LEU A 14 9.385 5.099 -5.431 1.00 0.00 N ATOM 223 CA LEU A 14 9.465 6.048 -4.329 1.00 0.00 C ATOM 224 C LEU A 14 10.389 7.213 -4.675 1.00 0.00 C ATOM 225 O LEU A 14 10.151 8.350 -4.266 1.00 0.00 O ATOM 226 CB LEU A 14 9.956 5.347 -3.059 1.00 0.00 C ATOM 227 CG LEU A 14 9.115 5.609 -1.808 1.00 0.00 C ATOM 228 CD1 LEU A 14 9.197 7.074 -1.406 1.00 0.00 C ATOM 229 CD2 LEU A 14 7.668 5.197 -2.041 1.00 0.00 C ATOM 0 H LEU A 14 9.962 4.266 -5.313 1.00 0.00 H new ATOM 0 HA LEU A 14 8.465 6.445 -4.152 1.00 0.00 H new ATOM 0 HB2 LEU A 14 9.982 4.273 -3.242 1.00 0.00 H new ATOM 0 HB3 LEU A 14 10.981 5.662 -2.862 1.00 0.00 H new ATOM 0 HG LEU A 14 9.516 5.007 -0.992 1.00 0.00 H new ATOM 0 HD11 LEU A 14 8.593 7.241 -0.514 1.00 0.00 H new ATOM 0 HD12 LEU A 14 10.234 7.336 -1.196 1.00 0.00 H new ATOM 0 HD13 LEU A 14 8.823 7.696 -2.219 1.00 0.00 H new ATOM 0 HD21 LEU A 14 7.085 5.391 -1.141 1.00 0.00 H new ATOM 0 HD22 LEU A 14 7.255 5.771 -2.871 1.00 0.00 H new ATOM 0 HD23 LEU A 14 7.626 4.134 -2.279 1.00 0.00 H new ATOM 241 N LYS A 15 11.444 6.922 -5.428 1.00 0.00 N ATOM 242 CA LYS A 15 12.406 7.945 -5.828 1.00 0.00 C ATOM 243 C LYS A 15 11.720 9.088 -6.573 1.00 0.00 C ATOM 244 O LYS A 15 12.224 10.212 -6.601 1.00 0.00 O ATOM 245 CB LYS A 15 13.496 7.331 -6.708 1.00 0.00 C ATOM 246 CG LYS A 15 12.980 6.791 -8.031 1.00 0.00 C ATOM 247 CD LYS A 15 14.029 6.903 -9.126 1.00 0.00 C ATOM 248 CE LYS A 15 13.541 6.293 -10.430 1.00 0.00 C ATOM 249 NZ LYS A 15 13.988 7.080 -11.612 1.00 0.00 N ATOM 0 H LYS A 15 11.656 5.986 -5.774 1.00 0.00 H new ATOM 0 HA LYS A 15 12.859 8.350 -4.923 1.00 0.00 H new ATOM 0 HB2 LYS A 15 14.258 8.084 -6.906 1.00 0.00 H new ATOM 0 HB3 LYS A 15 13.981 6.523 -6.160 1.00 0.00 H new ATOM 0 HG2 LYS A 15 12.688 5.748 -7.910 1.00 0.00 H new ATOM 0 HG3 LYS A 15 12.085 7.340 -8.325 1.00 0.00 H new ATOM 0 HD2 LYS A 15 14.280 7.952 -9.285 1.00 0.00 H new ATOM 0 HD3 LYS A 15 14.943 6.401 -8.808 1.00 0.00 H new ATOM 0 HE2 LYS A 15 13.910 5.271 -10.513 1.00 0.00 H new ATOM 0 HE3 LYS A 15 12.452 6.239 -10.420 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 13.635 6.632 -12.481 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 13.615 8.048 -11.546 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 15.027 7.111 -11.636 1.00 0.00 H new ATOM 263 N ILE A 16 10.572 8.796 -7.177 1.00 0.00 N ATOM 264 CA ILE A 16 9.825 9.802 -7.923 1.00 0.00 C ATOM 265 C ILE A 16 9.006 10.692 -6.992 1.00 0.00 C ATOM 266 O ILE A 16 9.002 11.914 -7.134 1.00 0.00 O ATOM 267 CB ILE A 16 8.878 9.148 -8.948 1.00 0.00 C ATOM 268 CG1 ILE A 16 9.627 8.098 -9.771 1.00 0.00 C ATOM 269 CG2 ILE A 16 8.269 10.205 -9.857 1.00 0.00 C ATOM 270 CD1 ILE A 16 10.735 8.676 -10.625 1.00 0.00 C ATOM 0 H ILE A 16 10.140 7.872 -7.164 1.00 0.00 H new ATOM 0 HA ILE A 16 10.560 10.413 -8.448 1.00 0.00 H new ATOM 0 HB ILE A 16 8.071 8.652 -8.409 1.00 0.00 H new ATOM 0 HG12 ILE A 16 10.050 7.354 -9.096 1.00 0.00 H new ATOM 0 HG13 ILE A 16 8.917 7.578 -10.414 1.00 0.00 H new ATOM 0 HG21 ILE A 16 7.603 9.727 -10.575 1.00 0.00 H new ATOM 0 HG22 ILE A 16 7.704 10.919 -9.257 1.00 0.00 H new ATOM 0 HG23 ILE A 16 9.063 10.727 -10.391 1.00 0.00 H new ATOM 0 HD11 ILE A 16 11.222 7.875 -11.180 1.00 0.00 H new ATOM 0 HD12 ILE A 16 10.316 9.399 -11.324 1.00 0.00 H new ATOM 0 HD13 ILE A 16 11.466 9.171 -9.986 1.00 0.00 H new ATOM 282 N LEU A 17 8.312 10.070 -6.045 1.00 0.00 N ATOM 283 CA LEU A 17 7.484 10.808 -5.095 1.00 0.00 C ATOM 284 C LEU A 17 8.345 11.554 -4.078 1.00 0.00 C ATOM 285 O LEU A 17 8.089 12.718 -3.773 1.00 0.00 O ATOM 286 CB LEU A 17 6.525 9.855 -4.376 1.00 0.00 C ATOM 287 CG LEU A 17 5.081 9.886 -4.882 1.00 0.00 C ATOM 288 CD1 LEU A 17 5.037 9.703 -6.390 1.00 0.00 C ATOM 289 CD2 LEU A 17 4.254 8.815 -4.188 1.00 0.00 C ATOM 0 H LEU A 17 8.306 9.058 -5.914 1.00 0.00 H new ATOM 0 HA LEU A 17 6.904 11.543 -5.653 1.00 0.00 H new ATOM 0 HB2 LEU A 17 6.906 8.838 -4.473 1.00 0.00 H new ATOM 0 HB3 LEU A 17 6.527 10.096 -3.313 1.00 0.00 H new ATOM 0 HG LEU A 17 4.653 10.860 -4.645 1.00 0.00 H new ATOM 0 HD11 LEU A 17 4.002 9.728 -6.729 1.00 0.00 H new ATOM 0 HD12 LEU A 17 5.596 10.506 -6.870 1.00 0.00 H new ATOM 0 HD13 LEU A 17 5.482 8.743 -6.653 1.00 0.00 H new ATOM 0 HD21 LEU A 17 3.229 8.850 -4.558 1.00 0.00 H new ATOM 0 HD22 LEU A 17 4.682 7.834 -4.395 1.00 0.00 H new ATOM 0 HD23 LEU A 17 4.257 8.993 -3.113 1.00 0.00 H new ATOM 301 N VAL A 18 9.363 10.877 -3.556 1.00 0.00 N ATOM 302 CA VAL A 18 10.255 11.478 -2.572 1.00 0.00 C ATOM 303 C VAL A 18 10.885 12.761 -3.108 1.00 0.00 C ATOM 304 O VAL A 18 11.193 13.678 -2.345 1.00 0.00 O ATOM 305 CB VAL A 18 11.374 10.501 -2.156 1.00 0.00 C ATOM 306 CG1 VAL A 18 12.254 10.151 -3.347 1.00 0.00 C ATOM 307 CG2 VAL A 18 12.204 11.090 -1.025 1.00 0.00 C ATOM 0 H VAL A 18 9.590 9.913 -3.798 1.00 0.00 H new ATOM 0 HA VAL A 18 9.647 11.715 -1.699 1.00 0.00 H new ATOM 0 HB VAL A 18 10.911 9.582 -1.797 1.00 0.00 H new ATOM 0 HG11 VAL A 18 13.036 9.461 -3.031 1.00 0.00 H new ATOM 0 HG12 VAL A 18 11.648 9.682 -4.122 1.00 0.00 H new ATOM 0 HG13 VAL A 18 12.709 11.059 -3.742 1.00 0.00 H new ATOM 0 HG21 VAL A 18 12.988 10.387 -0.745 1.00 0.00 H new ATOM 0 HG22 VAL A 18 12.656 12.025 -1.354 1.00 0.00 H new ATOM 0 HG23 VAL A 18 11.563 11.280 -0.164 1.00 0.00 H new ATOM 317 N LYS A 19 11.072 12.821 -4.422 1.00 0.00 N ATOM 318 CA LYS A 19 11.664 13.993 -5.057 1.00 0.00 C ATOM 319 C LYS A 19 10.619 15.081 -5.278 1.00 0.00 C ATOM 320 O LYS A 19 10.891 16.266 -5.087 1.00 0.00 O ATOM 321 CB LYS A 19 12.305 13.607 -6.391 1.00 0.00 C ATOM 322 CG LYS A 19 13.112 14.728 -7.026 1.00 0.00 C ATOM 323 CD LYS A 19 14.532 14.772 -6.481 1.00 0.00 C ATOM 324 CE LYS A 19 15.541 14.297 -7.513 1.00 0.00 C ATOM 325 NZ LYS A 19 16.794 15.102 -7.477 1.00 0.00 N ATOM 0 H LYS A 19 10.822 12.072 -5.068 1.00 0.00 H new ATOM 0 HA LYS A 19 12.433 14.385 -4.391 1.00 0.00 H new ATOM 0 HB2 LYS A 19 12.955 12.746 -6.236 1.00 0.00 H new ATOM 0 HB3 LYS A 19 11.523 13.296 -7.084 1.00 0.00 H new ATOM 0 HG2 LYS A 19 13.140 14.590 -8.107 1.00 0.00 H new ATOM 0 HG3 LYS A 19 12.620 15.683 -6.839 1.00 0.00 H new ATOM 0 HD2 LYS A 19 14.774 15.790 -6.176 1.00 0.00 H new ATOM 0 HD3 LYS A 19 14.600 14.148 -5.590 1.00 0.00 H new ATOM 0 HE2 LYS A 19 15.778 13.248 -7.333 1.00 0.00 H new ATOM 0 HE3 LYS A 19 15.099 14.358 -8.508 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 17.456 14.746 -8.196 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 16.572 16.099 -7.674 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 17.230 15.024 -6.536 1.00 0.00 H new ATOM 339 N ASN A 20 9.420 14.671 -5.682 1.00 0.00 N ATOM 340 CA ASN A 20 8.334 15.611 -5.929 1.00 0.00 C ATOM 341 C ASN A 20 7.820 16.206 -4.622 1.00 0.00 C ATOM 342 O ASN A 20 7.906 17.414 -4.402 1.00 0.00 O ATOM 343 CB ASN A 20 7.190 14.917 -6.672 1.00 0.00 C ATOM 344 CG ASN A 20 7.309 15.058 -8.177 1.00 0.00 C ATOM 345 OD1 ASN A 20 6.538 15.783 -8.807 1.00 0.00 O ATOM 346 ND2 ASN A 20 8.278 14.363 -8.762 1.00 0.00 N ATOM 0 H ASN A 20 9.177 13.694 -5.845 1.00 0.00 H new ATOM 0 HA ASN A 20 8.722 16.421 -6.547 1.00 0.00 H new ATOM 0 HB2 ASN A 20 7.178 13.859 -6.409 1.00 0.00 H new ATOM 0 HB3 ASN A 20 6.239 15.338 -6.344 1.00 0.00 H new ATOM 0 HD21 ASN A 20 8.406 14.418 -9.772 1.00 0.00 H new ATOM 0 HD22 ASN A 20 8.894 13.775 -8.201 1.00 0.00 H new ATOM 353 N GLY A 21 7.288 15.350 -3.757 1.00 0.00 N ATOM 354 CA GLY A 21 6.769 15.809 -2.482 1.00 0.00 C ATOM 355 C GLY A 21 6.232 14.675 -1.632 1.00 0.00 C ATOM 356 O GLY A 21 5.019 14.502 -1.510 1.00 0.00 O ATOM 0 H GLY A 21 7.207 14.346 -3.916 1.00 0.00 H new ATOM 0 HA2 GLY A 21 7.559 16.325 -1.936 1.00 0.00 H new ATOM 0 HA3 GLY A 21 5.975 16.535 -2.657 1.00 0.00 H new ATOM 360 N PHE A 22 7.137 13.899 -1.044 1.00 0.00 N ATOM 361 CA PHE A 22 6.747 12.775 -0.201 1.00 0.00 C ATOM 362 C PHE A 22 7.823 12.476 0.838 1.00 0.00 C ATOM 363 O PHE A 22 9.016 12.484 0.531 1.00 0.00 O ATOM 364 CB PHE A 22 6.488 11.535 -1.058 1.00 0.00 C ATOM 365 CG PHE A 22 6.059 10.334 -0.266 1.00 0.00 C ATOM 366 CD1 PHE A 22 4.781 10.259 0.268 1.00 0.00 C ATOM 367 CD2 PHE A 22 6.933 9.279 -0.053 1.00 0.00 C ATOM 368 CE1 PHE A 22 4.384 9.154 0.998 1.00 0.00 C ATOM 369 CE2 PHE A 22 6.541 8.173 0.676 1.00 0.00 C ATOM 370 CZ PHE A 22 5.266 8.110 1.201 1.00 0.00 C ATOM 0 H PHE A 22 8.145 14.028 -1.136 1.00 0.00 H new ATOM 0 HA PHE A 22 5.829 13.045 0.321 1.00 0.00 H new ATOM 0 HB2 PHE A 22 5.719 11.767 -1.795 1.00 0.00 H new ATOM 0 HB3 PHE A 22 7.395 11.290 -1.611 1.00 0.00 H new ATOM 0 HD1 PHE A 22 4.088 11.073 0.112 1.00 0.00 H new ATOM 0 HD2 PHE A 22 7.932 9.322 -0.462 1.00 0.00 H new ATOM 0 HE1 PHE A 22 3.386 9.107 1.409 1.00 0.00 H new ATOM 0 HE2 PHE A 22 7.232 7.358 0.835 1.00 0.00 H new ATOM 0 HZ PHE A 22 4.958 7.245 1.770 1.00 0.00 H new ATOM 380 N ASP A 23 7.394 12.210 2.067 1.00 0.00 N ATOM 381 CA ASP A 23 8.320 11.907 3.152 1.00 0.00 C ATOM 382 C ASP A 23 8.198 10.447 3.576 1.00 0.00 C ATOM 383 O ASP A 23 7.136 10.002 4.007 1.00 0.00 O ATOM 384 CB ASP A 23 8.050 12.820 4.349 1.00 0.00 C ATOM 385 CG ASP A 23 9.325 13.224 5.066 1.00 0.00 C ATOM 386 OD1 ASP A 23 10.172 13.895 4.438 1.00 0.00 O ATOM 387 OD2 ASP A 23 9.474 12.872 6.254 1.00 0.00 O ATOM 0 H ASP A 23 6.410 12.198 2.337 1.00 0.00 H new ATOM 0 HA ASP A 23 9.334 12.080 2.792 1.00 0.00 H new ATOM 0 HB2 ASP A 23 7.528 13.715 4.010 1.00 0.00 H new ATOM 0 HB3 ASP A 23 7.388 12.311 5.049 1.00 0.00 H new ATOM 392 N LEU A 24 9.295 9.705 3.451 1.00 0.00 N ATOM 393 CA LEU A 24 9.310 8.294 3.822 1.00 0.00 C ATOM 394 C LEU A 24 8.860 8.099 5.267 1.00 0.00 C ATOM 395 O LEU A 24 8.394 7.023 5.642 1.00 0.00 O ATOM 396 CB LEU A 24 10.711 7.709 3.629 1.00 0.00 C ATOM 397 CG LEU A 24 11.827 8.447 4.371 1.00 0.00 C ATOM 398 CD1 LEU A 24 12.855 7.461 4.906 1.00 0.00 C ATOM 399 CD2 LEU A 24 12.492 9.466 3.457 1.00 0.00 C ATOM 0 H LEU A 24 10.184 10.057 3.096 1.00 0.00 H new ATOM 0 HA LEU A 24 8.610 7.770 3.172 1.00 0.00 H new ATOM 0 HB2 LEU A 24 10.703 6.669 3.957 1.00 0.00 H new ATOM 0 HB3 LEU A 24 10.944 7.706 2.564 1.00 0.00 H new ATOM 0 HG LEU A 24 11.386 8.977 5.215 1.00 0.00 H new ATOM 0 HD11 LEU A 24 13.641 8.004 5.431 1.00 0.00 H new ATOM 0 HD12 LEU A 24 12.371 6.768 5.594 1.00 0.00 H new ATOM 0 HD13 LEU A 24 13.290 6.904 4.077 1.00 0.00 H new ATOM 0 HD21 LEU A 24 13.283 9.981 4.001 1.00 0.00 H new ATOM 0 HD22 LEU A 24 12.919 8.956 2.593 1.00 0.00 H new ATOM 0 HD23 LEU A 24 11.751 10.191 3.121 1.00 0.00 H new ATOM 411 N LYS A 25 9.002 9.145 6.077 1.00 0.00 N ATOM 412 CA LYS A 25 8.611 9.086 7.481 1.00 0.00 C ATOM 413 C LYS A 25 7.128 8.754 7.623 1.00 0.00 C ATOM 414 O LYS A 25 6.753 7.854 8.375 1.00 0.00 O ATOM 415 CB LYS A 25 8.918 10.414 8.175 1.00 0.00 C ATOM 416 CG LYS A 25 9.428 10.254 9.597 1.00 0.00 C ATOM 417 CD LYS A 25 9.673 11.600 10.256 1.00 0.00 C ATOM 418 CE LYS A 25 10.000 11.448 11.733 1.00 0.00 C ATOM 419 NZ LYS A 25 8.867 10.853 12.493 1.00 0.00 N ATOM 0 H LYS A 25 9.385 10.044 5.784 1.00 0.00 H new ATOM 0 HA LYS A 25 9.188 8.293 7.958 1.00 0.00 H new ATOM 0 HB2 LYS A 25 9.661 10.956 7.590 1.00 0.00 H new ATOM 0 HB3 LYS A 25 8.015 11.025 8.188 1.00 0.00 H new ATOM 0 HG2 LYS A 25 8.704 9.688 10.183 1.00 0.00 H new ATOM 0 HG3 LYS A 25 10.353 9.678 9.590 1.00 0.00 H new ATOM 0 HD2 LYS A 25 10.494 12.109 9.751 1.00 0.00 H new ATOM 0 HD3 LYS A 25 8.790 12.228 10.141 1.00 0.00 H new ATOM 0 HE2 LYS A 25 10.883 10.820 11.847 1.00 0.00 H new ATOM 0 HE3 LYS A 25 10.246 12.423 12.153 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 8.993 11.041 13.508 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 7.973 11.276 12.171 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 8.842 9.826 12.331 1.00 0.00 H new ATOM 433 N LEU A 26 6.288 9.489 6.900 1.00 0.00 N ATOM 434 CA LEU A 26 4.846 9.272 6.951 1.00 0.00 C ATOM 435 C LEU A 26 4.492 7.838 6.564 1.00 0.00 C ATOM 436 O LEU A 26 3.484 7.294 7.016 1.00 0.00 O ATOM 437 CB LEU A 26 4.126 10.263 6.028 1.00 0.00 C ATOM 438 CG LEU A 26 4.154 9.913 4.537 1.00 0.00 C ATOM 439 CD1 LEU A 26 2.968 9.035 4.174 1.00 0.00 C ATOM 440 CD2 LEU A 26 4.164 11.179 3.693 1.00 0.00 C ATOM 0 H LEU A 26 6.580 10.239 6.273 1.00 0.00 H new ATOM 0 HA LEU A 26 4.515 9.438 7.976 1.00 0.00 H new ATOM 0 HB2 LEU A 26 3.086 10.340 6.346 1.00 0.00 H new ATOM 0 HB3 LEU A 26 4.574 11.248 6.161 1.00 0.00 H new ATOM 0 HG LEU A 26 5.068 9.356 4.330 1.00 0.00 H new ATOM 0 HD11 LEU A 26 3.004 8.796 3.111 1.00 0.00 H new ATOM 0 HD12 LEU A 26 3.006 8.113 4.755 1.00 0.00 H new ATOM 0 HD13 LEU A 26 2.042 9.565 4.396 1.00 0.00 H new ATOM 0 HD21 LEU A 26 4.184 10.912 2.636 1.00 0.00 H new ATOM 0 HD22 LEU A 26 3.268 11.763 3.903 1.00 0.00 H new ATOM 0 HD23 LEU A 26 5.047 11.770 3.934 1.00 0.00 H new ATOM 452 N LEU A 27 5.328 7.231 5.728 1.00 0.00 N ATOM 453 CA LEU A 27 5.103 5.861 5.282 1.00 0.00 C ATOM 454 C LEU A 27 5.198 4.883 6.450 1.00 0.00 C ATOM 455 O LEU A 27 4.596 3.809 6.422 1.00 0.00 O ATOM 456 CB LEU A 27 6.117 5.480 4.201 1.00 0.00 C ATOM 457 CG LEU A 27 5.704 4.309 3.308 1.00 0.00 C ATOM 458 CD1 LEU A 27 6.316 4.450 1.923 1.00 0.00 C ATOM 459 CD2 LEU A 27 6.111 2.987 3.942 1.00 0.00 C ATOM 0 H LEU A 27 6.167 7.666 5.346 1.00 0.00 H new ATOM 0 HA LEU A 27 4.098 5.804 4.865 1.00 0.00 H new ATOM 0 HB2 LEU A 27 6.298 6.351 3.571 1.00 0.00 H new ATOM 0 HB3 LEU A 27 7.063 5.233 4.683 1.00 0.00 H new ATOM 0 HG LEU A 27 4.619 4.321 3.204 1.00 0.00 H new ATOM 0 HD11 LEU A 27 6.010 3.607 1.303 1.00 0.00 H new ATOM 0 HD12 LEU A 27 5.974 5.379 1.467 1.00 0.00 H new ATOM 0 HD13 LEU A 27 7.403 4.465 2.005 1.00 0.00 H new ATOM 0 HD21 LEU A 27 5.810 2.164 3.293 1.00 0.00 H new ATOM 0 HD22 LEU A 27 7.192 2.966 4.076 1.00 0.00 H new ATOM 0 HD23 LEU A 27 5.623 2.883 4.911 1.00 0.00 H new ATOM 471 N TYR A 28 5.960 5.258 7.472 1.00 0.00 N ATOM 472 CA TYR A 28 6.134 4.411 8.647 1.00 0.00 C ATOM 473 C TYR A 28 4.947 4.537 9.598 1.00 0.00 C ATOM 474 O TYR A 28 4.631 3.604 10.337 1.00 0.00 O ATOM 475 CB TYR A 28 7.428 4.779 9.377 1.00 0.00 C ATOM 476 CG TYR A 28 8.595 3.879 9.038 1.00 0.00 C ATOM 477 CD1 TYR A 28 8.563 2.524 9.349 1.00 0.00 C ATOM 478 CD2 TYR A 28 9.726 4.382 8.408 1.00 0.00 C ATOM 479 CE1 TYR A 28 9.628 1.698 9.040 1.00 0.00 C ATOM 480 CE2 TYR A 28 10.793 3.562 8.097 1.00 0.00 C ATOM 481 CZ TYR A 28 10.740 2.222 8.415 1.00 0.00 C ATOM 482 OH TYR A 28 11.801 1.402 8.107 1.00 0.00 O ATOM 0 H TYR A 28 6.467 6.142 7.511 1.00 0.00 H new ATOM 0 HA TYR A 28 6.193 3.376 8.310 1.00 0.00 H new ATOM 0 HB2 TYR A 28 7.692 5.808 9.134 1.00 0.00 H new ATOM 0 HB3 TYR A 28 7.252 4.741 10.452 1.00 0.00 H new ATOM 0 HD1 TYR A 28 7.694 2.111 9.839 1.00 0.00 H new ATOM 0 HD2 TYR A 28 9.772 5.431 8.157 1.00 0.00 H new ATOM 0 HE1 TYR A 28 9.589 0.647 9.287 1.00 0.00 H new ATOM 0 HE2 TYR A 28 11.665 3.969 7.607 1.00 0.00 H new ATOM 0 HH TYR A 28 12.503 1.926 7.669 1.00 0.00 H new ATOM 492 N LYS A 29 4.295 5.695 9.577 1.00 0.00 N ATOM 493 CA LYS A 29 3.146 5.939 10.442 1.00 0.00 C ATOM 494 C LYS A 29 1.851 5.469 9.785 1.00 0.00 C ATOM 495 O LYS A 29 0.902 5.083 10.466 1.00 0.00 O ATOM 496 CB LYS A 29 3.047 7.427 10.786 1.00 0.00 C ATOM 497 CG LYS A 29 2.711 7.692 12.245 1.00 0.00 C ATOM 498 CD LYS A 29 1.663 8.785 12.388 1.00 0.00 C ATOM 499 CE LYS A 29 2.192 10.129 11.911 1.00 0.00 C ATOM 500 NZ LYS A 29 1.092 11.102 11.662 1.00 0.00 N ATOM 0 H LYS A 29 4.542 6.478 8.972 1.00 0.00 H new ATOM 0 HA LYS A 29 3.290 5.368 11.359 1.00 0.00 H new ATOM 0 HB2 LYS A 29 3.994 7.911 10.546 1.00 0.00 H new ATOM 0 HB3 LYS A 29 2.285 7.887 10.157 1.00 0.00 H new ATOM 0 HG2 LYS A 29 2.347 6.775 12.708 1.00 0.00 H new ATOM 0 HG3 LYS A 29 3.615 7.982 12.781 1.00 0.00 H new ATOM 0 HD2 LYS A 29 0.776 8.517 11.814 1.00 0.00 H new ATOM 0 HD3 LYS A 29 1.356 8.863 13.431 1.00 0.00 H new ATOM 0 HE2 LYS A 29 2.875 10.536 12.657 1.00 0.00 H new ATOM 0 HE3 LYS A 29 2.767 9.989 10.996 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 1.494 12.005 11.338 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 0.454 10.726 10.932 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 0.559 11.256 12.542 1.00 0.00 H new ATOM 514 N VAL A 30 1.818 5.505 8.456 1.00 0.00 N ATOM 515 CA VAL A 30 0.638 5.084 7.711 1.00 0.00 C ATOM 516 C VAL A 30 0.508 3.563 7.690 1.00 0.00 C ATOM 517 O VAL A 30 -0.591 3.028 7.547 1.00 0.00 O ATOM 518 CB VAL A 30 0.670 5.608 6.260 1.00 0.00 C ATOM 519 CG1 VAL A 30 1.849 5.016 5.500 1.00 0.00 C ATOM 520 CG2 VAL A 30 -0.640 5.302 5.551 1.00 0.00 C ATOM 0 H VAL A 30 2.594 5.821 7.874 1.00 0.00 H new ATOM 0 HA VAL A 30 -0.224 5.510 8.224 1.00 0.00 H new ATOM 0 HB VAL A 30 0.796 6.690 6.289 1.00 0.00 H new ATOM 0 HG11 VAL A 30 1.853 5.398 4.479 1.00 0.00 H new ATOM 0 HG12 VAL A 30 2.779 5.295 5.996 1.00 0.00 H new ATOM 0 HG13 VAL A 30 1.761 3.930 5.480 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -0.598 5.679 4.529 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -0.801 4.224 5.533 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -1.462 5.783 6.082 1.00 0.00 H new ATOM 530 N VAL A 31 1.637 2.871 7.831 1.00 0.00 N ATOM 531 CA VAL A 31 1.648 1.411 7.827 1.00 0.00 C ATOM 532 C VAL A 31 0.564 0.841 8.738 1.00 0.00 C ATOM 533 O VAL A 31 0.002 -0.220 8.464 1.00 0.00 O ATOM 534 CB VAL A 31 3.019 0.859 8.265 1.00 0.00 C ATOM 535 CG1 VAL A 31 3.335 1.277 9.694 1.00 0.00 C ATOM 536 CG2 VAL A 31 3.059 -0.655 8.123 1.00 0.00 C ATOM 0 H VAL A 31 2.555 3.299 7.949 1.00 0.00 H new ATOM 0 HA VAL A 31 1.449 1.100 6.802 1.00 0.00 H new ATOM 0 HB VAL A 31 3.782 1.281 7.611 1.00 0.00 H new ATOM 0 HG11 VAL A 31 4.307 0.877 9.984 1.00 0.00 H new ATOM 0 HG12 VAL A 31 3.356 2.365 9.759 1.00 0.00 H new ATOM 0 HG13 VAL A 31 2.568 0.889 10.365 1.00 0.00 H new ATOM 0 HG21 VAL A 31 4.035 -1.024 8.437 1.00 0.00 H new ATOM 0 HG22 VAL A 31 2.284 -1.100 8.748 1.00 0.00 H new ATOM 0 HG23 VAL A 31 2.886 -0.927 7.082 1.00 0.00 H new ATOM 546 N GLY A 32 0.275 1.553 9.822 1.00 0.00 N ATOM 547 CA GLY A 32 -0.742 1.104 10.755 1.00 0.00 C ATOM 548 C GLY A 32 -2.141 1.185 10.171 1.00 0.00 C ATOM 549 O GLY A 32 -3.033 0.442 10.578 1.00 0.00 O ATOM 0 H GLY A 32 0.727 2.433 10.071 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -0.533 0.075 11.048 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -0.694 1.710 11.660 1.00 0.00 H new ATOM 553 N ASN A 33 -2.329 2.092 9.218 1.00 0.00 N ATOM 554 CA ASN A 33 -3.627 2.270 8.577 1.00 0.00 C ATOM 555 C ASN A 33 -3.776 1.348 7.371 1.00 0.00 C ATOM 556 O ASN A 33 -4.890 1.019 6.964 1.00 0.00 O ATOM 557 CB ASN A 33 -3.808 3.726 8.144 1.00 0.00 C ATOM 558 CG ASN A 33 -3.869 4.678 9.323 1.00 0.00 C ATOM 559 OD1 ASN A 33 -3.067 4.585 10.251 1.00 0.00 O ATOM 560 ND2 ASN A 33 -4.823 5.601 9.289 1.00 0.00 N ATOM 0 H ASN A 33 -1.599 2.715 8.873 1.00 0.00 H new ATOM 0 HA ASN A 33 -4.398 2.012 9.303 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -2.983 4.013 7.491 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -4.724 3.817 7.560 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -4.912 6.270 10.053 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -5.466 5.641 8.498 1.00 0.00 H new ATOM 567 N LEU A 34 -2.648 0.933 6.800 1.00 0.00 N ATOM 568 CA LEU A 34 -2.660 0.049 5.638 1.00 0.00 C ATOM 569 C LEU A 34 -3.149 -1.345 6.019 1.00 0.00 C ATOM 570 O LEU A 34 -3.869 -1.991 5.256 1.00 0.00 O ATOM 571 CB LEU A 34 -1.261 -0.040 5.025 1.00 0.00 C ATOM 572 CG LEU A 34 -0.579 1.303 4.766 1.00 0.00 C ATOM 573 CD1 LEU A 34 0.763 1.097 4.079 1.00 0.00 C ATOM 574 CD2 LEU A 34 -1.475 2.204 3.929 1.00 0.00 C ATOM 0 H LEU A 34 -1.716 1.194 7.122 1.00 0.00 H new ATOM 0 HA LEU A 34 -3.347 0.467 4.902 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -0.628 -0.629 5.688 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -1.328 -0.583 4.082 1.00 0.00 H new ATOM 0 HG LEU A 34 -0.402 1.789 5.725 1.00 0.00 H new ATOM 0 HD11 LEU A 34 1.234 2.064 3.903 1.00 0.00 H new ATOM 0 HD12 LEU A 34 1.408 0.490 4.715 1.00 0.00 H new ATOM 0 HD13 LEU A 34 0.610 0.589 3.127 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -0.973 3.156 3.755 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -1.683 1.723 2.973 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -2.411 2.379 4.459 1.00 0.00 H new ATOM 586 N ALA A 35 -2.753 -1.805 7.200 1.00 0.00 N ATOM 587 CA ALA A 35 -3.149 -3.125 7.679 1.00 0.00 C ATOM 588 C ALA A 35 -4.593 -3.133 8.178 1.00 0.00 C ATOM 589 O ALA A 35 -5.169 -4.196 8.411 1.00 0.00 O ATOM 590 CB ALA A 35 -2.207 -3.586 8.782 1.00 0.00 C ATOM 0 H ALA A 35 -2.158 -1.284 7.844 1.00 0.00 H new ATOM 0 HA ALA A 35 -3.085 -3.818 6.840 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -2.512 -4.572 9.132 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -1.190 -3.637 8.394 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -2.244 -2.879 9.611 1.00 0.00 H new ATOM 596 N THR A 36 -5.174 -1.948 8.343 1.00 0.00 N ATOM 597 CA THR A 36 -6.550 -1.834 8.817 1.00 0.00 C ATOM 598 C THR A 36 -7.482 -1.400 7.690 1.00 0.00 C ATOM 599 O THR A 36 -8.571 -1.948 7.526 1.00 0.00 O ATOM 600 CB THR A 36 -6.632 -0.838 9.975 1.00 0.00 C ATOM 601 OG1 THR A 36 -5.909 0.342 9.672 1.00 0.00 O ATOM 602 CG2 THR A 36 -6.090 -1.388 11.276 1.00 0.00 C ATOM 0 H THR A 36 -4.716 -1.056 8.156 1.00 0.00 H new ATOM 0 HA THR A 36 -6.868 -2.816 9.168 1.00 0.00 H new ATOM 0 HB THR A 36 -7.694 -0.629 10.103 1.00 0.00 H new ATOM 0 HG1 THR A 36 -5.014 0.288 10.068 1.00 0.00 H new ATOM 0 HG21 THR A 36 -6.178 -0.631 12.056 1.00 0.00 H new ATOM 0 HG22 THR A 36 -6.659 -2.272 11.563 1.00 0.00 H new ATOM 0 HG23 THR A 36 -5.042 -1.657 11.148 1.00 0.00 H new ATOM 610 N GLU A 37 -7.047 -0.409 6.917 1.00 0.00 N ATOM 611 CA GLU A 37 -7.843 0.101 5.807 1.00 0.00 C ATOM 612 C GLU A 37 -9.172 0.659 6.308 1.00 0.00 C ATOM 613 O GLU A 37 -10.242 0.180 5.933 1.00 0.00 O ATOM 614 CB GLU A 37 -8.094 -1.007 4.781 1.00 0.00 C ATOM 615 CG GLU A 37 -6.839 -1.776 4.396 1.00 0.00 C ATOM 616 CD GLU A 37 -7.113 -3.248 4.149 1.00 0.00 C ATOM 617 OE1 GLU A 37 -7.866 -3.851 4.942 1.00 0.00 O ATOM 618 OE2 GLU A 37 -6.573 -3.794 3.165 1.00 0.00 O ATOM 0 H GLU A 37 -6.148 0.056 7.040 1.00 0.00 H new ATOM 0 HA GLU A 37 -7.286 0.907 5.329 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -8.828 -1.705 5.184 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -8.531 -0.568 3.884 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -6.407 -1.334 3.498 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -6.098 -1.676 5.189 1.00 0.00 H new ATOM 625 N GLN A 38 -9.096 1.674 7.164 1.00 0.00 N ATOM 626 CA GLN A 38 -10.293 2.295 7.724 1.00 0.00 C ATOM 627 C GLN A 38 -10.761 3.477 6.875 1.00 0.00 C ATOM 628 O GLN A 38 -11.930 3.550 6.498 1.00 0.00 O ATOM 629 CB GLN A 38 -10.042 2.759 9.165 1.00 0.00 C ATOM 630 CG GLN A 38 -8.851 2.087 9.835 1.00 0.00 C ATOM 631 CD GLN A 38 -8.986 2.035 11.344 1.00 0.00 C ATOM 632 OE1 GLN A 38 -10.017 2.411 11.902 1.00 0.00 O ATOM 633 NE2 GLN A 38 -7.940 1.565 12.015 1.00 0.00 N ATOM 0 H GLN A 38 -8.219 2.084 7.485 1.00 0.00 H new ATOM 0 HA GLN A 38 -11.079 1.540 7.724 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -9.885 3.838 9.166 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -10.936 2.566 9.758 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -8.745 1.074 9.448 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -7.940 2.625 9.573 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -7.105 1.264 11.512 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -7.972 1.505 13.033 1.00 0.00 H new ATOM 642 N PRO A 39 -9.861 4.430 6.571 1.00 0.00 N ATOM 643 CA PRO A 39 -10.207 5.608 5.778 1.00 0.00 C ATOM 644 C PRO A 39 -10.240 5.327 4.272 1.00 0.00 C ATOM 645 O PRO A 39 -11.282 4.955 3.733 1.00 0.00 O ATOM 646 CB PRO A 39 -9.105 6.606 6.141 1.00 0.00 C ATOM 647 CG PRO A 39 -7.922 5.772 6.508 1.00 0.00 C ATOM 648 CD PRO A 39 -8.445 4.439 6.987 1.00 0.00 C ATOM 0 HA PRO A 39 -11.212 5.970 5.996 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -8.878 7.263 5.302 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -9.410 7.243 6.971 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -7.263 5.641 5.650 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -7.336 6.258 7.288 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -7.894 3.612 6.539 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -8.348 4.339 8.068 1.00 0.00 H new ATOM 656 N LEU A 40 -9.109 5.512 3.591 1.00 0.00 N ATOM 657 CA LEU A 40 -9.040 5.280 2.153 1.00 0.00 C ATOM 658 C LEU A 40 -9.976 6.227 1.408 1.00 0.00 C ATOM 659 O LEU A 40 -10.488 7.188 1.983 1.00 0.00 O ATOM 660 CB LEU A 40 -9.397 3.828 1.827 1.00 0.00 C ATOM 661 CG LEU A 40 -8.776 2.782 2.753 1.00 0.00 C ATOM 662 CD1 LEU A 40 -9.753 1.644 3.001 1.00 0.00 C ATOM 663 CD2 LEU A 40 -7.477 2.255 2.163 1.00 0.00 C ATOM 0 H LEU A 40 -8.233 5.821 4.012 1.00 0.00 H new ATOM 0 HA LEU A 40 -8.018 5.473 1.827 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -10.481 3.721 1.860 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -9.086 3.615 0.804 1.00 0.00 H new ATOM 0 HG LEU A 40 -8.552 3.255 3.709 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -9.295 0.908 3.662 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -10.658 2.036 3.466 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -10.008 1.170 2.053 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -7.048 1.511 2.834 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -7.677 1.797 1.194 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -6.774 3.079 2.037 1.00 0.00 H new ATOM 675 N ALA A 41 -10.199 5.950 0.127 1.00 0.00 N ATOM 676 CA ALA A 41 -11.075 6.778 -0.692 1.00 0.00 C ATOM 677 C ALA A 41 -12.340 6.015 -1.085 1.00 0.00 C ATOM 678 O ALA A 41 -12.276 4.840 -1.444 1.00 0.00 O ATOM 679 CB ALA A 41 -10.339 7.257 -1.934 1.00 0.00 C ATOM 0 H ALA A 41 -9.785 5.159 -0.365 1.00 0.00 H new ATOM 0 HA ALA A 41 -11.372 7.645 -0.102 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -11.005 7.874 -2.536 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -9.469 7.844 -1.638 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -10.014 6.397 -2.519 1.00 0.00 H new ATOM 685 N PRO A 42 -13.511 6.673 -1.022 1.00 0.00 N ATOM 686 CA PRO A 42 -14.787 6.045 -1.372 1.00 0.00 C ATOM 687 C PRO A 42 -14.947 5.855 -2.877 1.00 0.00 C ATOM 688 O PRO A 42 -15.625 4.932 -3.328 1.00 0.00 O ATOM 689 CB PRO A 42 -15.824 7.037 -0.846 1.00 0.00 C ATOM 690 CG PRO A 42 -15.136 8.357 -0.888 1.00 0.00 C ATOM 691 CD PRO A 42 -13.684 8.079 -0.602 1.00 0.00 C ATOM 0 HA PRO A 42 -14.879 5.045 -0.949 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -16.721 7.038 -1.465 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -16.136 6.785 0.167 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -15.258 8.829 -1.863 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -15.555 9.039 -0.148 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -13.030 8.748 -1.161 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -13.450 8.214 0.454 1.00 0.00 H new ATOM 699 N LYS A 43 -14.318 6.736 -3.648 1.00 0.00 N ATOM 700 CA LYS A 43 -14.392 6.665 -5.103 1.00 0.00 C ATOM 701 C LYS A 43 -13.454 5.592 -5.647 1.00 0.00 C ATOM 702 O LYS A 43 -13.717 4.994 -6.690 1.00 0.00 O ATOM 703 CB LYS A 43 -14.044 8.022 -5.718 1.00 0.00 C ATOM 704 CG LYS A 43 -12.772 8.639 -5.156 1.00 0.00 C ATOM 705 CD LYS A 43 -13.079 9.805 -4.230 1.00 0.00 C ATOM 706 CE LYS A 43 -11.855 10.217 -3.428 1.00 0.00 C ATOM 707 NZ LYS A 43 -11.767 11.695 -3.268 1.00 0.00 N ATOM 0 H LYS A 43 -13.752 7.506 -3.291 1.00 0.00 H new ATOM 0 HA LYS A 43 -15.413 6.399 -5.376 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -13.935 7.905 -6.796 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -14.874 8.709 -5.554 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -12.208 7.881 -4.613 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -12.140 8.981 -5.975 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -13.433 10.653 -4.816 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -13.885 9.529 -3.550 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -11.890 9.747 -2.445 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -10.956 9.851 -3.924 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -10.919 11.935 -2.716 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -11.708 12.143 -4.205 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -12.613 12.041 -2.772 1.00 0.00 H new ATOM 721 N TYR A 44 -12.357 5.352 -4.935 1.00 0.00 N ATOM 722 CA TYR A 44 -11.381 4.351 -5.347 1.00 0.00 C ATOM 723 C TYR A 44 -11.608 3.033 -4.615 1.00 0.00 C ATOM 724 O TYR A 44 -11.732 1.979 -5.237 1.00 0.00 O ATOM 725 CB TYR A 44 -9.961 4.855 -5.087 1.00 0.00 C ATOM 726 CG TYR A 44 -9.689 6.226 -5.661 1.00 0.00 C ATOM 727 CD1 TYR A 44 -10.048 6.536 -6.968 1.00 0.00 C ATOM 728 CD2 TYR A 44 -9.072 7.211 -4.899 1.00 0.00 C ATOM 729 CE1 TYR A 44 -9.799 7.789 -7.495 1.00 0.00 C ATOM 730 CE2 TYR A 44 -8.822 8.465 -5.420 1.00 0.00 C ATOM 731 CZ TYR A 44 -9.186 8.750 -6.719 1.00 0.00 C ATOM 732 OH TYR A 44 -8.939 9.997 -7.242 1.00 0.00 O ATOM 0 H TYR A 44 -12.122 5.838 -4.069 1.00 0.00 H new ATOM 0 HA TYR A 44 -11.507 4.177 -6.416 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -9.785 4.879 -4.012 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -9.250 4.146 -5.511 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -10.528 5.787 -7.580 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -8.783 6.992 -3.882 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -10.084 8.015 -8.512 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -8.344 9.219 -4.813 1.00 0.00 H new ATOM 0 HH TYR A 44 -8.102 10.347 -6.872 1.00 0.00 H new ATOM 742 N LYS A 45 -11.659 3.101 -3.289 1.00 0.00 N ATOM 743 CA LYS A 45 -11.871 1.913 -2.469 1.00 0.00 C ATOM 744 C LYS A 45 -10.729 0.918 -2.650 1.00 0.00 C ATOM 745 O LYS A 45 -10.118 0.845 -3.715 1.00 0.00 O ATOM 746 CB LYS A 45 -13.206 1.252 -2.826 1.00 0.00 C ATOM 747 CG LYS A 45 -14.298 1.493 -1.795 1.00 0.00 C ATOM 748 CD LYS A 45 -15.630 1.810 -2.455 1.00 0.00 C ATOM 749 CE LYS A 45 -16.099 0.670 -3.344 1.00 0.00 C ATOM 750 NZ LYS A 45 -15.841 0.946 -4.784 1.00 0.00 N ATOM 0 H LYS A 45 -11.556 3.966 -2.759 1.00 0.00 H new ATOM 0 HA LYS A 45 -11.897 2.221 -1.424 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -13.541 1.628 -3.793 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -13.053 0.179 -2.937 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -14.405 0.611 -1.164 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -14.009 2.318 -1.144 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -16.379 2.006 -1.688 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -15.536 2.720 -3.048 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -15.590 -0.249 -3.054 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -17.166 0.506 -3.191 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -16.664 0.650 -5.347 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -15.678 1.964 -4.919 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -15.001 0.417 -5.094 1.00 0.00 H new ATOM 764 N ASP A 46 -10.446 0.154 -1.599 1.00 0.00 N ATOM 765 CA ASP A 46 -9.377 -0.836 -1.639 1.00 0.00 C ATOM 766 C ASP A 46 -9.933 -2.224 -1.943 1.00 0.00 C ATOM 767 O ASP A 46 -11.051 -2.555 -1.551 1.00 0.00 O ATOM 768 CB ASP A 46 -8.622 -0.856 -0.309 1.00 0.00 C ATOM 769 CG ASP A 46 -7.451 -1.820 -0.321 1.00 0.00 C ATOM 770 OD1 ASP A 46 -6.881 -2.049 -1.408 1.00 0.00 O ATOM 771 OD2 ASP A 46 -7.103 -2.345 0.758 1.00 0.00 O ATOM 0 H ASP A 46 -10.943 0.202 -0.709 1.00 0.00 H new ATOM 0 HA ASP A 46 -8.687 -0.558 -2.436 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -8.260 0.148 -0.085 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -9.309 -1.133 0.491 1.00 0.00 H new ATOM 776 N HIS A 47 -9.144 -3.033 -2.644 1.00 0.00 N ATOM 777 CA HIS A 47 -9.557 -4.385 -2.999 1.00 0.00 C ATOM 778 C HIS A 47 -8.408 -5.155 -3.644 1.00 0.00 C ATOM 779 O HIS A 47 -7.453 -4.559 -4.144 1.00 0.00 O ATOM 780 CB HIS A 47 -10.754 -4.341 -3.950 1.00 0.00 C ATOM 781 CG HIS A 47 -10.536 -3.470 -5.148 1.00 0.00 C ATOM 782 ND1 HIS A 47 -9.505 -3.408 -6.024 1.00 0.00 N flip ATOM 783 CD2 HIS A 47 -11.444 -2.518 -5.562 1.00 0.00 C flip ATOM 784 CE1 HIS A 47 -9.806 -2.432 -6.941 1.00 0.00 C flip ATOM 785 NE2 HIS A 47 -10.982 -1.911 -6.640 1.00 0.00 N flip ATOM 0 H HIS A 47 -8.215 -2.775 -2.977 1.00 0.00 H new ATOM 0 HA HIS A 47 -9.847 -4.901 -2.084 1.00 0.00 H new ATOM 0 HB2 HIS A 47 -10.980 -5.354 -4.284 1.00 0.00 H new ATOM 0 HB3 HIS A 47 -11.627 -3.983 -3.405 1.00 0.00 H new ATOM 0 HD1 HIS A 47 -8.661 -3.981 -6.006 1.00 0.00 H new ATOM 0 HD2 HIS A 47 -12.386 -2.303 -5.080 1.00 0.00 H new ATOM 0 HE1 HIS A 47 -9.183 -2.138 -7.773 1.00 0.00 H new ATOM 794 N PRO A 48 -8.486 -6.497 -3.643 1.00 0.00 N ATOM 795 CA PRO A 48 -7.447 -7.351 -4.231 1.00 0.00 C ATOM 796 C PRO A 48 -7.186 -7.022 -5.696 1.00 0.00 C ATOM 797 O PRO A 48 -7.849 -6.163 -6.277 1.00 0.00 O ATOM 798 CB PRO A 48 -8.021 -8.764 -4.096 1.00 0.00 C ATOM 799 CG PRO A 48 -9.014 -8.671 -2.989 1.00 0.00 C ATOM 800 CD PRO A 48 -9.589 -7.286 -3.067 1.00 0.00 C ATOM 0 HA PRO A 48 -6.486 -7.219 -3.733 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -8.493 -9.089 -5.023 1.00 0.00 H new ATOM 0 HB3 PRO A 48 -7.239 -9.488 -3.865 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -9.794 -9.424 -3.100 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -8.539 -8.843 -2.023 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -10.479 -7.254 -3.696 1.00 0.00 H new ATOM 0 HD3 PRO A 48 -9.880 -6.915 -2.084 1.00 0.00 H new ATOM 808 N LEU A 49 -6.217 -7.712 -6.288 1.00 0.00 N ATOM 809 CA LEU A 49 -5.867 -7.496 -7.687 1.00 0.00 C ATOM 810 C LEU A 49 -6.508 -8.557 -8.577 1.00 0.00 C ATOM 811 O LEU A 49 -7.217 -8.237 -9.531 1.00 0.00 O ATOM 812 CB LEU A 49 -4.348 -7.516 -7.863 1.00 0.00 C ATOM 813 CG LEU A 49 -3.651 -6.179 -7.616 1.00 0.00 C ATOM 814 CD1 LEU A 49 -3.822 -5.748 -6.167 1.00 0.00 C ATOM 815 CD2 LEU A 49 -2.175 -6.274 -7.973 1.00 0.00 C ATOM 0 H LEU A 49 -5.659 -8.426 -5.820 1.00 0.00 H new ATOM 0 HA LEU A 49 -6.247 -6.519 -7.985 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -3.929 -8.258 -7.184 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -4.119 -7.846 -8.876 1.00 0.00 H new ATOM 0 HG LEU A 49 -4.113 -5.427 -8.256 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -3.319 -4.794 -6.009 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -4.883 -5.640 -5.942 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -3.386 -6.501 -5.510 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -1.694 -5.313 -7.791 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -1.701 -7.039 -7.359 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -2.071 -6.538 -9.025 1.00 0.00 H new ATOM 827 N LYS A 50 -6.252 -9.822 -8.258 1.00 0.00 N ATOM 828 CA LYS A 50 -6.802 -10.930 -9.030 1.00 0.00 C ATOM 829 C LYS A 50 -7.246 -12.065 -8.111 1.00 0.00 C ATOM 830 O LYS A 50 -7.178 -11.950 -6.888 1.00 0.00 O ATOM 831 CB LYS A 50 -5.768 -11.443 -10.031 1.00 0.00 C ATOM 832 CG LYS A 50 -5.832 -10.748 -11.381 1.00 0.00 C ATOM 833 CD LYS A 50 -5.254 -11.619 -12.485 1.00 0.00 C ATOM 834 CE LYS A 50 -3.822 -11.228 -12.811 1.00 0.00 C ATOM 835 NZ LYS A 50 -3.759 -10.173 -13.860 1.00 0.00 N ATOM 0 H LYS A 50 -5.668 -10.105 -7.471 1.00 0.00 H new ATOM 0 HA LYS A 50 -7.673 -10.565 -9.574 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -4.771 -11.311 -9.611 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -5.914 -12.513 -10.175 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -6.868 -10.501 -11.615 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -5.283 -9.807 -11.333 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -5.286 -12.665 -12.179 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -5.869 -11.530 -13.380 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -3.329 -10.871 -11.907 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -3.273 -12.108 -13.147 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -2.765 -9.935 -14.053 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -4.207 -10.522 -14.731 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -4.261 -9.324 -13.529 1.00 0.00 H new ATOM 849 N GLY A 51 -7.703 -13.160 -8.711 1.00 0.00 N ATOM 850 CA GLY A 51 -8.153 -14.300 -7.932 1.00 0.00 C ATOM 851 C GLY A 51 -7.045 -15.303 -7.679 1.00 0.00 C ATOM 852 O GLY A 51 -5.877 -15.034 -7.956 1.00 0.00 O ATOM 0 H GLY A 51 -7.770 -13.278 -9.722 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -8.548 -13.951 -6.978 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -8.973 -14.793 -8.455 1.00 0.00 H new ATOM 856 N GLY A 52 -7.414 -16.466 -7.149 1.00 0.00 N ATOM 857 CA GLY A 52 -6.432 -17.497 -6.868 1.00 0.00 C ATOM 858 C GLY A 52 -5.817 -17.351 -5.490 1.00 0.00 C ATOM 859 O GLY A 52 -6.099 -18.142 -4.590 1.00 0.00 O ATOM 0 H GLY A 52 -8.375 -16.712 -6.910 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -6.904 -18.476 -6.950 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -5.644 -17.459 -7.620 1.00 0.00 H new ATOM 863 N LEU A 53 -4.973 -16.338 -5.325 1.00 0.00 N ATOM 864 CA LEU A 53 -4.314 -16.093 -4.048 1.00 0.00 C ATOM 865 C LEU A 53 -5.004 -14.966 -3.287 1.00 0.00 C ATOM 866 O LEU A 53 -5.127 -15.015 -2.064 1.00 0.00 O ATOM 867 CB LEU A 53 -2.842 -15.744 -4.268 1.00 0.00 C ATOM 868 CG LEU A 53 -2.571 -14.784 -5.430 1.00 0.00 C ATOM 869 CD1 LEU A 53 -1.560 -13.724 -5.022 1.00 0.00 C ATOM 870 CD2 LEU A 53 -2.084 -15.550 -6.651 1.00 0.00 C ATOM 0 H LEU A 53 -4.729 -15.674 -6.060 1.00 0.00 H new ATOM 0 HA LEU A 53 -4.381 -17.005 -3.454 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -2.448 -15.303 -3.352 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -2.288 -16.666 -4.442 1.00 0.00 H new ATOM 0 HG LEU A 53 -3.504 -14.284 -5.689 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -1.380 -13.051 -5.860 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -1.950 -13.156 -4.178 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -0.625 -14.205 -4.735 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -1.896 -14.852 -7.467 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -1.162 -16.078 -6.406 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -2.844 -16.269 -6.956 1.00 0.00 H new ATOM 882 N LYS A 54 -5.451 -13.950 -4.020 1.00 0.00 N ATOM 883 CA LYS A 54 -6.128 -12.809 -3.414 1.00 0.00 C ATOM 884 C LYS A 54 -5.251 -12.154 -2.349 1.00 0.00 C ATOM 885 O LYS A 54 -5.753 -11.555 -1.399 1.00 0.00 O ATOM 886 CB LYS A 54 -7.459 -13.246 -2.797 1.00 0.00 C ATOM 887 CG LYS A 54 -8.645 -13.078 -3.734 1.00 0.00 C ATOM 888 CD LYS A 54 -9.674 -14.181 -3.536 1.00 0.00 C ATOM 889 CE LYS A 54 -10.915 -13.665 -2.823 1.00 0.00 C ATOM 890 NZ LYS A 54 -10.910 -14.020 -1.377 1.00 0.00 N ATOM 0 H LYS A 54 -5.356 -13.894 -5.034 1.00 0.00 H new ATOM 0 HA LYS A 54 -6.321 -12.077 -4.198 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -7.386 -14.292 -2.499 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -7.637 -12.668 -1.890 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -9.112 -12.108 -3.561 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -8.297 -13.085 -4.767 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -9.955 -14.595 -4.504 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -9.232 -14.993 -2.958 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -10.972 -12.582 -2.931 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -11.805 -14.080 -3.296 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -11.771 -13.651 -0.926 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -10.881 -15.054 -1.274 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -10.074 -13.603 -0.920 1.00 0.00 H new ATOM 904 N ASP A 55 -3.936 -12.274 -2.518 1.00 0.00 N ATOM 905 CA ASP A 55 -2.988 -11.693 -1.575 1.00 0.00 C ATOM 906 C ASP A 55 -2.687 -10.244 -1.937 1.00 0.00 C ATOM 907 O ASP A 55 -2.686 -9.365 -1.075 1.00 0.00 O ATOM 908 CB ASP A 55 -1.693 -12.508 -1.557 1.00 0.00 C ATOM 909 CG ASP A 55 -1.689 -13.564 -0.468 1.00 0.00 C ATOM 910 OD1 ASP A 55 -2.682 -14.315 -0.366 1.00 0.00 O ATOM 911 OD2 ASP A 55 -0.693 -13.640 0.280 1.00 0.00 O ATOM 0 H ASP A 55 -3.505 -12.768 -3.299 1.00 0.00 H new ATOM 0 HA ASP A 55 -3.436 -11.716 -0.582 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -1.556 -12.989 -2.526 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -0.847 -11.837 -1.412 1.00 0.00 H new ATOM 916 N PHE A 56 -2.436 -10.002 -3.218 1.00 0.00 N ATOM 917 CA PHE A 56 -2.137 -8.659 -3.700 1.00 0.00 C ATOM 918 C PHE A 56 -3.300 -7.713 -3.420 1.00 0.00 C ATOM 919 O PHE A 56 -4.461 -8.123 -3.418 1.00 0.00 O ATOM 920 CB PHE A 56 -1.833 -8.687 -5.199 1.00 0.00 C ATOM 921 CG PHE A 56 -0.451 -9.181 -5.519 1.00 0.00 C ATOM 922 CD1 PHE A 56 0.654 -8.374 -5.300 1.00 0.00 C ATOM 923 CD2 PHE A 56 -0.257 -10.451 -6.039 1.00 0.00 C ATOM 924 CE1 PHE A 56 1.927 -8.825 -5.593 1.00 0.00 C ATOM 925 CE2 PHE A 56 1.014 -10.907 -6.334 1.00 0.00 C ATOM 926 CZ PHE A 56 2.107 -10.094 -6.111 1.00 0.00 C ATOM 0 H PHE A 56 -2.434 -10.720 -3.943 1.00 0.00 H new ATOM 0 HA PHE A 56 -1.258 -8.294 -3.168 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -2.563 -9.324 -5.698 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -1.955 -7.683 -5.606 1.00 0.00 H new ATOM 0 HD1 PHE A 56 0.519 -7.382 -4.896 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -1.108 -11.091 -6.216 1.00 0.00 H new ATOM 0 HE1 PHE A 56 2.780 -8.187 -5.417 1.00 0.00 H new ATOM 0 HE2 PHE A 56 1.152 -11.899 -6.739 1.00 0.00 H new ATOM 0 HZ PHE A 56 3.101 -10.449 -6.341 1.00 0.00 H new ATOM 936 N ARG A 57 -2.980 -6.447 -3.176 1.00 0.00 N ATOM 937 CA ARG A 57 -3.995 -5.441 -2.884 1.00 0.00 C ATOM 938 C ARG A 57 -3.460 -4.036 -3.144 1.00 0.00 C ATOM 939 O ARG A 57 -2.424 -3.645 -2.604 1.00 0.00 O ATOM 940 CB ARG A 57 -4.453 -5.553 -1.428 1.00 0.00 C ATOM 941 CG ARG A 57 -5.155 -6.864 -1.104 1.00 0.00 C ATOM 942 CD ARG A 57 -5.690 -6.874 0.320 1.00 0.00 C ATOM 943 NE ARG A 57 -7.128 -7.129 0.364 1.00 0.00 N ATOM 944 CZ ARG A 57 -7.670 -8.339 0.259 1.00 0.00 C ATOM 945 NH1 ARG A 57 -6.900 -9.408 0.095 1.00 0.00 N ATOM 946 NH2 ARG A 57 -8.988 -8.484 0.318 1.00 0.00 N ATOM 0 H ARG A 57 -2.024 -6.092 -3.175 1.00 0.00 H new ATOM 0 HA ARG A 57 -4.844 -5.620 -3.544 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -3.587 -5.444 -0.775 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -5.127 -4.726 -1.204 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -5.976 -7.020 -1.803 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -4.460 -7.693 -1.238 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -5.169 -7.638 0.897 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -5.477 -5.916 0.794 1.00 0.00 H new ATOM 0 HE ARG A 57 -7.753 -6.332 0.482 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -5.886 -9.304 0.049 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -7.322 -10.333 0.015 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -9.586 -7.667 0.444 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -9.403 -9.412 0.237 1.00 0.00 H new ATOM 960 N GLU A 58 -4.173 -3.283 -3.973 1.00 0.00 N ATOM 961 CA GLU A 58 -3.773 -1.921 -4.307 1.00 0.00 C ATOM 962 C GLU A 58 -4.763 -0.909 -3.740 1.00 0.00 C ATOM 963 O GLU A 58 -5.888 -0.786 -4.225 1.00 0.00 O ATOM 964 CB GLU A 58 -3.669 -1.754 -5.825 1.00 0.00 C ATOM 965 CG GLU A 58 -3.228 -0.366 -6.255 1.00 0.00 C ATOM 966 CD GLU A 58 -3.302 -0.169 -7.758 1.00 0.00 C ATOM 967 OE1 GLU A 58 -4.390 0.186 -8.256 1.00 0.00 O ATOM 968 OE2 GLU A 58 -2.271 -0.373 -8.434 1.00 0.00 O ATOM 0 H GLU A 58 -5.032 -3.593 -4.427 1.00 0.00 H new ATOM 0 HA GLU A 58 -2.796 -1.737 -3.861 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -2.963 -2.487 -6.215 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -4.638 -1.974 -6.274 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -3.854 0.379 -5.764 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -2.205 -0.194 -5.920 1.00 0.00 H new ATOM 975 N CYS A 59 -4.338 -0.185 -2.709 1.00 0.00 N ATOM 976 CA CYS A 59 -5.188 0.815 -2.076 1.00 0.00 C ATOM 977 C CYS A 59 -4.753 2.225 -2.462 1.00 0.00 C ATOM 978 O CYS A 59 -3.716 2.413 -3.099 1.00 0.00 O ATOM 979 CB CYS A 59 -5.154 0.656 -0.554 1.00 0.00 C ATOM 980 SG CYS A 59 -3.537 0.984 0.186 1.00 0.00 S ATOM 0 H CYS A 59 -3.410 -0.273 -2.295 1.00 0.00 H new ATOM 0 HA CYS A 59 -6.208 0.661 -2.427 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -5.887 1.331 -0.112 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -5.460 -0.359 -0.298 1.00 0.00 H new ATOM 0 HG CYS A 59 -2.660 0.158 -0.303 1.00 0.00 H new ATOM 986 N HIS A 60 -5.550 3.213 -2.069 1.00 0.00 N ATOM 987 CA HIS A 60 -5.247 4.607 -2.373 1.00 0.00 C ATOM 988 C HIS A 60 -5.203 5.444 -1.097 1.00 0.00 C ATOM 989 O HIS A 60 -6.184 6.092 -0.734 1.00 0.00 O ATOM 990 CB HIS A 60 -6.288 5.180 -3.337 1.00 0.00 C ATOM 991 CG HIS A 60 -6.289 4.516 -4.679 1.00 0.00 C ATOM 992 ND1 HIS A 60 -6.344 3.207 -5.020 1.00 0.00 N flip ATOM 993 CD2 HIS A 60 -6.226 5.217 -5.866 1.00 0.00 C flip ATOM 994 CE1 HIS A 60 -6.314 3.142 -6.391 1.00 0.00 C flip ATOM 995 NE2 HIS A 60 -6.243 4.368 -6.877 1.00 0.00 N flip ATOM 0 H HIS A 60 -6.411 3.074 -1.539 1.00 0.00 H new ATOM 0 HA HIS A 60 -4.266 4.645 -2.846 1.00 0.00 H new ATOM 0 HB2 HIS A 60 -7.278 5.081 -2.891 1.00 0.00 H new ATOM 0 HB3 HIS A 60 -6.102 6.246 -3.468 1.00 0.00 H new ATOM 0 HD2 HIS A 60 -6.171 6.292 -5.954 1.00 0.00 H new ATOM 0 HE1 HIS A 60 -6.344 2.235 -6.977 1.00 0.00 H new ATOM 0 HE2 HIS A 60 -6.207 4.617 -7.866 1.00 0.00 H new ATOM 1004 N LEU A 61 -4.058 5.422 -0.422 1.00 0.00 N ATOM 1005 CA LEU A 61 -3.882 6.177 0.813 1.00 0.00 C ATOM 1006 C LEU A 61 -4.185 7.657 0.598 1.00 0.00 C ATOM 1007 O LEU A 61 -4.810 8.302 1.440 1.00 0.00 O ATOM 1008 CB LEU A 61 -2.454 6.009 1.338 1.00 0.00 C ATOM 1009 CG LEU A 61 -1.352 6.386 0.344 1.00 0.00 C ATOM 1010 CD1 LEU A 61 -0.820 7.780 0.639 1.00 0.00 C ATOM 1011 CD2 LEU A 61 -0.225 5.364 0.385 1.00 0.00 C ATOM 0 H LEU A 61 -3.238 4.889 -0.710 1.00 0.00 H new ATOM 0 HA LEU A 61 -4.583 5.786 1.550 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -2.338 6.618 2.234 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -2.313 4.971 1.638 1.00 0.00 H new ATOM 0 HG LEU A 61 -1.779 6.387 -0.659 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -0.038 8.030 -0.078 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -1.631 8.504 0.558 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -0.409 7.807 1.648 1.00 0.00 H new ATOM 0 HD21 LEU A 61 0.549 5.648 -0.328 1.00 0.00 H new ATOM 0 HD22 LEU A 61 0.200 5.331 1.388 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -0.616 4.381 0.124 1.00 0.00 H new ATOM 1023 N LYS A 62 -3.741 8.188 -0.536 1.00 0.00 N ATOM 1024 CA LYS A 62 -3.967 9.593 -0.863 1.00 0.00 C ATOM 1025 C LYS A 62 -4.816 9.728 -2.124 1.00 0.00 C ATOM 1026 O LYS A 62 -4.852 8.823 -2.958 1.00 0.00 O ATOM 1027 CB LYS A 62 -2.632 10.314 -1.050 1.00 0.00 C ATOM 1028 CG LYS A 62 -1.941 10.668 0.258 1.00 0.00 C ATOM 1029 CD LYS A 62 -2.042 12.154 0.559 1.00 0.00 C ATOM 1030 CE LYS A 62 -1.271 12.520 1.818 1.00 0.00 C ATOM 1031 NZ LYS A 62 -1.979 12.076 3.051 1.00 0.00 N ATOM 0 H LYS A 62 -3.223 7.668 -1.244 1.00 0.00 H new ATOM 0 HA LYS A 62 -4.506 10.053 -0.035 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -1.969 9.684 -1.642 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -2.799 11.227 -1.621 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -2.390 10.100 1.073 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -0.892 10.377 0.206 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -1.655 12.725 -0.285 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -3.089 12.432 0.678 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -0.282 12.064 1.783 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -1.124 13.599 1.853 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -1.421 12.344 3.887 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -2.913 12.531 3.098 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -2.097 11.043 3.030 1.00 0.00 H new ATOM 1045 N PRO A 63 -5.514 10.867 -2.279 1.00 0.00 N ATOM 1046 CA PRO A 63 -6.370 11.121 -3.444 1.00 0.00 C ATOM 1047 C PRO A 63 -5.671 10.813 -4.764 1.00 0.00 C ATOM 1048 O PRO A 63 -6.318 10.509 -5.766 1.00 0.00 O ATOM 1049 CB PRO A 63 -6.677 12.613 -3.335 1.00 0.00 C ATOM 1050 CG PRO A 63 -6.586 12.912 -1.878 1.00 0.00 C ATOM 1051 CD PRO A 63 -5.528 11.995 -1.327 1.00 0.00 C ATOM 0 HA PRO A 63 -7.256 10.486 -3.444 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -5.964 13.207 -3.907 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -7.668 12.843 -3.725 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -6.322 13.956 -1.711 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -7.543 12.742 -1.385 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -4.557 12.488 -1.276 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -5.771 11.664 -0.317 1.00 0.00 H new ATOM 1059 N ASP A 64 -4.350 10.894 -4.750 1.00 0.00 N ATOM 1060 CA ASP A 64 -3.552 10.626 -5.941 1.00 0.00 C ATOM 1061 C ASP A 64 -2.279 9.867 -5.581 1.00 0.00 C ATOM 1062 O ASP A 64 -1.189 10.438 -5.556 1.00 0.00 O ATOM 1063 CB ASP A 64 -3.199 11.935 -6.651 1.00 0.00 C ATOM 1064 CG ASP A 64 -3.242 11.802 -8.162 1.00 0.00 C ATOM 1065 OD1 ASP A 64 -4.335 11.535 -8.703 1.00 0.00 O ATOM 1066 OD2 ASP A 64 -2.182 11.964 -8.802 1.00 0.00 O ATOM 0 H ASP A 64 -3.804 11.144 -3.925 1.00 0.00 H new ATOM 0 HA ASP A 64 -4.145 10.007 -6.614 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -3.894 12.714 -6.337 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -2.203 12.254 -6.345 1.00 0.00 H new ATOM 1071 N LEU A 65 -2.424 8.578 -5.299 1.00 0.00 N ATOM 1072 CA LEU A 65 -1.284 7.744 -4.937 1.00 0.00 C ATOM 1073 C LEU A 65 -1.697 6.282 -4.794 1.00 0.00 C ATOM 1074 O LEU A 65 -2.538 5.943 -3.962 1.00 0.00 O ATOM 1075 CB LEU A 65 -0.661 8.242 -3.631 1.00 0.00 C ATOM 1076 CG LEU A 65 0.834 8.563 -3.707 1.00 0.00 C ATOM 1077 CD1 LEU A 65 1.046 10.036 -4.022 1.00 0.00 C ATOM 1078 CD2 LEU A 65 1.530 8.185 -2.406 1.00 0.00 C ATOM 0 H LEU A 65 -3.318 8.088 -5.314 1.00 0.00 H new ATOM 0 HA LEU A 65 -0.546 7.813 -5.736 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -1.193 9.138 -3.311 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -0.816 7.486 -2.861 1.00 0.00 H new ATOM 0 HG LEU A 65 1.273 7.973 -4.512 1.00 0.00 H new ATOM 0 HD11 LEU A 65 2.114 10.247 -4.072 1.00 0.00 H new ATOM 0 HD12 LEU A 65 0.584 10.273 -4.980 1.00 0.00 H new ATOM 0 HD13 LEU A 65 0.592 10.644 -3.240 1.00 0.00 H new ATOM 0 HD21 LEU A 65 2.592 8.421 -2.480 1.00 0.00 H new ATOM 0 HD22 LEU A 65 1.090 8.746 -1.582 1.00 0.00 H new ATOM 0 HD23 LEU A 65 1.407 7.117 -2.225 1.00 0.00 H new ATOM 1090 N LEU A 66 -1.096 5.421 -5.608 1.00 0.00 N ATOM 1091 CA LEU A 66 -1.396 3.993 -5.569 1.00 0.00 C ATOM 1092 C LEU A 66 -0.472 3.284 -4.587 1.00 0.00 C ATOM 1093 O LEU A 66 0.652 3.724 -4.354 1.00 0.00 O ATOM 1094 CB LEU A 66 -1.255 3.369 -6.962 1.00 0.00 C ATOM 1095 CG LEU A 66 -1.437 4.336 -8.138 1.00 0.00 C ATOM 1096 CD1 LEU A 66 -0.096 4.657 -8.780 1.00 0.00 C ATOM 1097 CD2 LEU A 66 -2.395 3.754 -9.166 1.00 0.00 C ATOM 0 H LEU A 66 -0.398 5.686 -6.303 1.00 0.00 H new ATOM 0 HA LEU A 66 -2.427 3.872 -5.237 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -0.268 2.912 -7.039 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -1.986 2.566 -7.057 1.00 0.00 H new ATOM 0 HG LEU A 66 -1.865 5.263 -7.756 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -0.246 5.344 -9.612 1.00 0.00 H new ATOM 0 HD12 LEU A 66 0.560 5.119 -8.042 1.00 0.00 H new ATOM 0 HD13 LEU A 66 0.361 3.738 -9.147 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -2.511 4.455 -9.993 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -1.997 2.812 -9.542 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -3.365 3.578 -8.701 1.00 0.00 H new ATOM 1109 N LEU A 67 -0.949 2.185 -4.015 1.00 0.00 N ATOM 1110 CA LEU A 67 -0.152 1.424 -3.060 1.00 0.00 C ATOM 1111 C LEU A 67 -0.424 -0.069 -3.175 1.00 0.00 C ATOM 1112 O LEU A 67 -1.380 -0.584 -2.596 1.00 0.00 O ATOM 1113 CB LEU A 67 -0.437 1.890 -1.630 1.00 0.00 C ATOM 1114 CG LEU A 67 0.671 1.594 -0.614 1.00 0.00 C ATOM 1115 CD1 LEU A 67 0.258 2.055 0.775 1.00 0.00 C ATOM 1116 CD2 LEU A 67 1.015 0.111 -0.602 1.00 0.00 C ATOM 0 H LEU A 67 -1.877 1.803 -4.194 1.00 0.00 H new ATOM 0 HA LEU A 67 0.897 1.602 -3.295 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -0.617 2.965 -1.644 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -1.358 1.417 -1.288 1.00 0.00 H new ATOM 0 HG LEU A 67 1.561 2.147 -0.913 1.00 0.00 H new ATOM 0 HD11 LEU A 67 1.057 1.837 1.483 1.00 0.00 H new ATOM 0 HD12 LEU A 67 0.069 3.128 0.761 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -0.648 1.531 1.078 1.00 0.00 H new ATOM 0 HD21 LEU A 67 1.804 -0.074 0.127 1.00 0.00 H new ATOM 0 HD22 LEU A 67 0.130 -0.466 -0.333 1.00 0.00 H new ATOM 0 HD23 LEU A 67 1.358 -0.191 -1.592 1.00 0.00 H new ATOM 1128 N VAL A 68 0.440 -0.764 -3.902 1.00 0.00 N ATOM 1129 CA VAL A 68 0.309 -2.204 -4.065 1.00 0.00 C ATOM 1130 C VAL A 68 1.125 -2.920 -2.997 1.00 0.00 C ATOM 1131 O VAL A 68 2.330 -2.709 -2.884 1.00 0.00 O ATOM 1132 CB VAL A 68 0.778 -2.663 -5.459 1.00 0.00 C ATOM 1133 CG1 VAL A 68 0.505 -4.147 -5.654 1.00 0.00 C ATOM 1134 CG2 VAL A 68 0.103 -1.842 -6.546 1.00 0.00 C ATOM 0 H VAL A 68 1.238 -0.354 -4.387 1.00 0.00 H new ATOM 0 HA VAL A 68 -0.747 -2.455 -3.961 1.00 0.00 H new ATOM 0 HB VAL A 68 1.854 -2.504 -5.530 1.00 0.00 H new ATOM 0 HG11 VAL A 68 0.843 -4.452 -6.644 1.00 0.00 H new ATOM 0 HG12 VAL A 68 1.041 -4.718 -4.896 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -0.565 -4.335 -5.562 1.00 0.00 H new ATOM 0 HG21 VAL A 68 0.446 -2.180 -7.524 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -0.978 -1.967 -6.478 1.00 0.00 H new ATOM 0 HG23 VAL A 68 0.356 -0.790 -6.417 1.00 0.00 H new ATOM 1144 N TYR A 69 0.465 -3.752 -2.200 1.00 0.00 N ATOM 1145 CA TYR A 69 1.148 -4.475 -1.133 1.00 0.00 C ATOM 1146 C TYR A 69 0.635 -5.905 -1.013 1.00 0.00 C ATOM 1147 O TYR A 69 -0.436 -6.239 -1.520 1.00 0.00 O ATOM 1148 CB TYR A 69 0.976 -3.740 0.199 1.00 0.00 C ATOM 1149 CG TYR A 69 -0.458 -3.665 0.684 1.00 0.00 C ATOM 1150 CD1 TYR A 69 -1.137 -4.805 1.095 1.00 0.00 C ATOM 1151 CD2 TYR A 69 -1.132 -2.450 0.730 1.00 0.00 C ATOM 1152 CE1 TYR A 69 -2.444 -4.738 1.537 1.00 0.00 C ATOM 1153 CE2 TYR A 69 -2.439 -2.374 1.171 1.00 0.00 C ATOM 1154 CZ TYR A 69 -3.090 -3.521 1.573 1.00 0.00 C ATOM 1155 OH TYR A 69 -4.392 -3.450 2.013 1.00 0.00 O ATOM 0 H TYR A 69 -0.535 -3.942 -2.271 1.00 0.00 H new ATOM 0 HA TYR A 69 2.208 -4.518 -1.384 1.00 0.00 H new ATOM 0 HB2 TYR A 69 1.579 -4.239 0.958 1.00 0.00 H new ATOM 0 HB3 TYR A 69 1.367 -2.728 0.096 1.00 0.00 H new ATOM 0 HD1 TYR A 69 -0.634 -5.760 1.069 1.00 0.00 H new ATOM 0 HD2 TYR A 69 -0.625 -1.550 0.415 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -2.957 -5.634 1.853 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -2.948 -1.422 1.201 1.00 0.00 H new ATOM 0 HH TYR A 69 -4.538 -4.120 2.713 1.00 0.00 H new ATOM 1165 N GLN A 70 1.411 -6.742 -0.333 1.00 0.00 N ATOM 1166 CA GLN A 70 1.046 -8.140 -0.132 1.00 0.00 C ATOM 1167 C GLN A 70 1.493 -8.618 1.246 1.00 0.00 C ATOM 1168 O GLN A 70 2.685 -8.799 1.494 1.00 0.00 O ATOM 1169 CB GLN A 70 1.671 -9.015 -1.219 1.00 0.00 C ATOM 1170 CG GLN A 70 1.231 -10.469 -1.157 1.00 0.00 C ATOM 1171 CD GLN A 70 2.334 -11.392 -0.678 1.00 0.00 C ATOM 1172 OE1 GLN A 70 3.311 -11.633 -1.389 1.00 0.00 O ATOM 1173 NE2 GLN A 70 2.182 -11.915 0.533 1.00 0.00 N ATOM 0 H GLN A 70 2.300 -6.475 0.090 1.00 0.00 H new ATOM 0 HA GLN A 70 -0.039 -8.223 -0.194 1.00 0.00 H new ATOM 0 HB2 GLN A 70 1.412 -8.607 -2.196 1.00 0.00 H new ATOM 0 HB3 GLN A 70 2.757 -8.968 -1.132 1.00 0.00 H new ATOM 0 HG2 GLN A 70 0.373 -10.557 -0.490 1.00 0.00 H new ATOM 0 HG3 GLN A 70 0.900 -10.787 -2.146 1.00 0.00 H new ATOM 0 HE21 GLN A 70 1.356 -11.687 1.087 1.00 0.00 H new ATOM 0 HE22 GLN A 70 2.891 -12.544 0.909 1.00 0.00 H new ATOM 1182 N ILE A 71 0.530 -8.815 2.141 1.00 0.00 N ATOM 1183 CA ILE A 71 0.829 -9.268 3.496 1.00 0.00 C ATOM 1184 C ILE A 71 0.946 -10.789 3.549 1.00 0.00 C ATOM 1185 O ILE A 71 0.105 -11.507 3.007 1.00 0.00 O ATOM 1186 CB ILE A 71 -0.252 -8.796 4.496 1.00 0.00 C ATOM 1187 CG1 ILE A 71 -0.159 -7.283 4.710 1.00 0.00 C ATOM 1188 CG2 ILE A 71 -0.114 -9.523 5.830 1.00 0.00 C ATOM 1189 CD1 ILE A 71 -0.308 -6.478 3.437 1.00 0.00 C ATOM 0 H ILE A 71 -0.462 -8.669 1.954 1.00 0.00 H new ATOM 0 HA ILE A 71 1.785 -8.828 3.781 1.00 0.00 H new ATOM 0 HB ILE A 71 -1.229 -9.033 4.074 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -0.931 -6.977 5.416 1.00 0.00 H new ATOM 0 HG13 ILE A 71 0.802 -7.048 5.168 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -0.885 -9.174 6.516 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -0.227 -10.596 5.673 1.00 0.00 H new ATOM 0 HG23 ILE A 71 0.869 -9.320 6.255 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -0.231 -5.415 3.667 1.00 0.00 H new ATOM 0 HD12 ILE A 71 0.480 -6.755 2.737 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -1.280 -6.683 2.989 1.00 0.00 H new ATOM 1201 N LYS A 72 1.992 -11.271 4.210 1.00 0.00 N ATOM 1202 CA LYS A 72 2.223 -12.703 4.340 1.00 0.00 C ATOM 1203 C LYS A 72 1.858 -13.184 5.743 1.00 0.00 C ATOM 1204 O LYS A 72 2.628 -13.010 6.689 1.00 0.00 O ATOM 1205 CB LYS A 72 3.684 -13.039 4.035 1.00 0.00 C ATOM 1206 CG LYS A 72 4.679 -12.162 4.782 1.00 0.00 C ATOM 1207 CD LYS A 72 5.343 -11.154 3.856 1.00 0.00 C ATOM 1208 CE LYS A 72 6.839 -11.065 4.110 1.00 0.00 C ATOM 1209 NZ LYS A 72 7.619 -11.859 3.121 1.00 0.00 N ATOM 0 H LYS A 72 2.695 -10.689 4.665 1.00 0.00 H new ATOM 0 HA LYS A 72 1.586 -13.216 3.620 1.00 0.00 H new ATOM 0 HB2 LYS A 72 3.869 -14.082 4.290 1.00 0.00 H new ATOM 0 HB3 LYS A 72 3.856 -12.937 2.963 1.00 0.00 H new ATOM 0 HG2 LYS A 72 4.167 -11.635 5.587 1.00 0.00 H new ATOM 0 HG3 LYS A 72 5.441 -12.789 5.245 1.00 0.00 H new ATOM 0 HD2 LYS A 72 5.165 -11.439 2.819 1.00 0.00 H new ATOM 0 HD3 LYS A 72 4.890 -10.173 3.999 1.00 0.00 H new ATOM 0 HE2 LYS A 72 7.153 -10.022 4.067 1.00 0.00 H new ATOM 0 HE3 LYS A 72 7.058 -11.422 5.116 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 8.634 -11.772 3.329 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 7.338 -12.859 3.179 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 7.430 -11.502 2.163 1.00 0.00 H new ATOM 1223 N LYS A 73 0.680 -13.783 5.868 1.00 0.00 N ATOM 1224 CA LYS A 73 0.208 -14.287 7.153 1.00 0.00 C ATOM 1225 C LYS A 73 1.173 -15.318 7.734 1.00 0.00 C ATOM 1226 O LYS A 73 1.180 -15.562 8.940 1.00 0.00 O ATOM 1227 CB LYS A 73 -1.183 -14.906 7.000 1.00 0.00 C ATOM 1228 CG LYS A 73 -2.217 -13.948 6.434 1.00 0.00 C ATOM 1229 CD LYS A 73 -3.599 -14.218 7.005 1.00 0.00 C ATOM 1230 CE LYS A 73 -4.684 -14.007 5.962 1.00 0.00 C ATOM 1231 NZ LYS A 73 -4.914 -12.562 5.684 1.00 0.00 N ATOM 0 H LYS A 73 0.033 -13.932 5.094 1.00 0.00 H new ATOM 0 HA LYS A 73 0.155 -13.444 7.842 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -1.114 -15.778 6.350 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -1.523 -15.260 7.973 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -1.924 -12.922 6.657 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -2.246 -14.042 5.348 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -3.646 -15.241 7.378 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -3.777 -13.560 7.855 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -4.404 -14.514 5.039 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -5.612 -14.463 6.307 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -5.661 -12.461 4.968 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -5.206 -12.082 6.559 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -4.035 -12.132 5.331 1.00 0.00 H new ATOM 1245 N GLN A 74 1.986 -15.923 6.871 1.00 0.00 N ATOM 1246 CA GLN A 74 2.950 -16.927 7.305 1.00 0.00 C ATOM 1247 C GLN A 74 3.857 -16.381 8.404 1.00 0.00 C ATOM 1248 O GLN A 74 4.329 -17.128 9.260 1.00 0.00 O ATOM 1249 CB GLN A 74 3.794 -17.405 6.122 1.00 0.00 C ATOM 1250 CG GLN A 74 4.641 -16.309 5.496 1.00 0.00 C ATOM 1251 CD GLN A 74 4.688 -16.400 3.984 1.00 0.00 C ATOM 1252 OE1 GLN A 74 3.717 -16.070 3.301 1.00 0.00 O ATOM 1253 NE2 GLN A 74 5.817 -16.850 3.452 1.00 0.00 N ATOM 0 H GLN A 74 1.995 -15.735 5.869 1.00 0.00 H new ATOM 0 HA GLN A 74 2.392 -17.772 7.709 1.00 0.00 H new ATOM 0 HB2 GLN A 74 4.447 -18.212 6.455 1.00 0.00 H new ATOM 0 HB3 GLN A 74 3.134 -17.822 5.361 1.00 0.00 H new ATOM 0 HG2 GLN A 74 4.242 -15.337 5.785 1.00 0.00 H new ATOM 0 HG3 GLN A 74 5.655 -16.368 5.891 1.00 0.00 H new ATOM 0 HE21 GLN A 74 6.596 -17.112 4.056 1.00 0.00 H new ATOM 0 HE22 GLN A 74 5.906 -16.934 2.439 1.00 0.00 H new ATOM 1262 N GLU A 75 4.096 -15.073 8.375 1.00 0.00 N ATOM 1263 CA GLU A 75 4.946 -14.431 9.373 1.00 0.00 C ATOM 1264 C GLU A 75 4.439 -13.032 9.720 1.00 0.00 C ATOM 1265 O GLU A 75 5.164 -12.229 10.307 1.00 0.00 O ATOM 1266 CB GLU A 75 6.388 -14.349 8.866 1.00 0.00 C ATOM 1267 CG GLU A 75 6.497 -13.954 7.402 1.00 0.00 C ATOM 1268 CD GLU A 75 7.901 -14.125 6.855 1.00 0.00 C ATOM 1269 OE1 GLU A 75 8.601 -15.059 7.299 1.00 0.00 O ATOM 1270 OE2 GLU A 75 8.301 -13.323 5.984 1.00 0.00 O ATOM 0 H GLU A 75 3.714 -14.438 7.674 1.00 0.00 H new ATOM 0 HA GLU A 75 4.914 -15.039 10.277 1.00 0.00 H new ATOM 0 HB2 GLU A 75 6.936 -13.626 9.470 1.00 0.00 H new ATOM 0 HB3 GLU A 75 6.870 -15.316 9.010 1.00 0.00 H new ATOM 0 HG2 GLU A 75 5.806 -14.558 6.814 1.00 0.00 H new ATOM 0 HG3 GLU A 75 6.190 -12.915 7.286 1.00 0.00 H new ATOM 1277 N ASN A 76 3.189 -12.743 9.358 1.00 0.00 N ATOM 1278 CA ASN A 76 2.588 -11.439 9.637 1.00 0.00 C ATOM 1279 C ASN A 76 3.532 -10.301 9.254 1.00 0.00 C ATOM 1280 O ASN A 76 4.096 -9.631 10.118 1.00 0.00 O ATOM 1281 CB ASN A 76 2.217 -11.335 11.117 1.00 0.00 C ATOM 1282 CG ASN A 76 0.874 -11.967 11.423 1.00 0.00 C ATOM 1283 OD1 ASN A 76 -0.130 -11.272 11.583 1.00 0.00 O ATOM 1284 ND2 ASN A 76 0.849 -13.291 11.509 1.00 0.00 N ATOM 0 H ASN A 76 2.573 -13.394 8.871 1.00 0.00 H new ATOM 0 HA ASN A 76 1.685 -11.349 9.033 1.00 0.00 H new ATOM 0 HB2 ASN A 76 2.988 -11.819 11.717 1.00 0.00 H new ATOM 0 HB3 ASN A 76 2.197 -10.285 11.411 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -0.026 -13.772 11.715 1.00 0.00 H new ATOM 0 HD22 ASN A 76 1.705 -13.827 11.369 1.00 0.00 H new ATOM 1291 N THR A 77 3.700 -10.089 7.952 1.00 0.00 N ATOM 1292 CA THR A 77 4.575 -9.034 7.457 1.00 0.00 C ATOM 1293 C THR A 77 3.904 -8.252 6.332 1.00 0.00 C ATOM 1294 O THR A 77 3.197 -8.823 5.502 1.00 0.00 O ATOM 1295 CB THR A 77 5.895 -9.633 6.967 1.00 0.00 C ATOM 1296 OG1 THR A 77 6.576 -10.281 8.027 1.00 0.00 O ATOM 1297 CG2 THR A 77 6.837 -8.605 6.376 1.00 0.00 C ATOM 0 H THR A 77 3.241 -10.634 7.222 1.00 0.00 H new ATOM 0 HA THR A 77 4.778 -8.345 8.277 1.00 0.00 H new ATOM 0 HB THR A 77 5.618 -10.340 6.185 1.00 0.00 H new ATOM 0 HG1 THR A 77 7.417 -10.659 7.693 1.00 0.00 H new ATOM 0 HG21 THR A 77 7.753 -9.097 6.049 1.00 0.00 H new ATOM 0 HG22 THR A 77 6.360 -8.122 5.523 1.00 0.00 H new ATOM 0 HG23 THR A 77 7.077 -7.855 7.130 1.00 0.00 H new ATOM 1305 N LEU A 78 4.134 -6.944 6.309 1.00 0.00 N ATOM 1306 CA LEU A 78 3.556 -6.080 5.285 1.00 0.00 C ATOM 1307 C LEU A 78 4.575 -5.784 4.191 1.00 0.00 C ATOM 1308 O LEU A 78 5.361 -4.843 4.299 1.00 0.00 O ATOM 1309 CB LEU A 78 3.062 -4.773 5.909 1.00 0.00 C ATOM 1310 CG LEU A 78 1.794 -4.194 5.279 1.00 0.00 C ATOM 1311 CD1 LEU A 78 1.265 -3.038 6.113 1.00 0.00 C ATOM 1312 CD2 LEU A 78 2.068 -3.744 3.852 1.00 0.00 C ATOM 0 H LEU A 78 4.718 -6.457 6.989 1.00 0.00 H new ATOM 0 HA LEU A 78 2.709 -6.601 4.838 1.00 0.00 H new ATOM 0 HB2 LEU A 78 2.878 -4.941 6.970 1.00 0.00 H new ATOM 0 HB3 LEU A 78 3.857 -4.031 5.837 1.00 0.00 H new ATOM 0 HG LEU A 78 1.033 -4.974 5.253 1.00 0.00 H new ATOM 0 HD11 LEU A 78 0.363 -2.638 5.650 1.00 0.00 H new ATOM 0 HD12 LEU A 78 1.032 -3.391 7.117 1.00 0.00 H new ATOM 0 HD13 LEU A 78 2.021 -2.255 6.170 1.00 0.00 H new ATOM 0 HD21 LEU A 78 1.156 -3.335 3.418 1.00 0.00 H new ATOM 0 HD22 LEU A 78 2.844 -2.978 3.855 1.00 0.00 H new ATOM 0 HD23 LEU A 78 2.401 -4.596 3.259 1.00 0.00 H new ATOM 1324 N PHE A 79 4.556 -6.593 3.137 1.00 0.00 N ATOM 1325 CA PHE A 79 5.479 -6.421 2.021 1.00 0.00 C ATOM 1326 C PHE A 79 4.863 -5.540 0.936 1.00 0.00 C ATOM 1327 O PHE A 79 3.961 -5.965 0.215 1.00 0.00 O ATOM 1328 CB PHE A 79 5.865 -7.788 1.445 1.00 0.00 C ATOM 1329 CG PHE A 79 6.540 -7.723 0.100 1.00 0.00 C ATOM 1330 CD1 PHE A 79 7.439 -6.708 -0.194 1.00 0.00 C ATOM 1331 CD2 PHE A 79 6.272 -8.677 -0.867 1.00 0.00 C ATOM 1332 CE1 PHE A 79 8.056 -6.651 -1.429 1.00 0.00 C ATOM 1333 CE2 PHE A 79 6.888 -8.623 -2.104 1.00 0.00 C ATOM 1334 CZ PHE A 79 7.781 -7.608 -2.385 1.00 0.00 C ATOM 0 H PHE A 79 3.910 -7.376 3.032 1.00 0.00 H new ATOM 0 HA PHE A 79 6.377 -5.925 2.389 1.00 0.00 H new ATOM 0 HB2 PHE A 79 6.528 -8.292 2.148 1.00 0.00 H new ATOM 0 HB3 PHE A 79 4.967 -8.400 1.359 1.00 0.00 H new ATOM 0 HD1 PHE A 79 7.659 -5.956 0.549 1.00 0.00 H new ATOM 0 HD2 PHE A 79 5.574 -9.473 -0.653 1.00 0.00 H new ATOM 0 HE1 PHE A 79 8.754 -5.857 -1.647 1.00 0.00 H new ATOM 0 HE2 PHE A 79 6.671 -9.374 -2.849 1.00 0.00 H new ATOM 0 HZ PHE A 79 8.263 -7.563 -3.350 1.00 0.00 H new ATOM 1344 N LEU A 80 5.363 -4.313 0.825 1.00 0.00 N ATOM 1345 CA LEU A 80 4.867 -3.373 -0.174 1.00 0.00 C ATOM 1346 C LEU A 80 5.217 -3.851 -1.580 1.00 0.00 C ATOM 1347 O LEU A 80 5.830 -4.903 -1.753 1.00 0.00 O ATOM 1348 CB LEU A 80 5.456 -1.982 0.067 1.00 0.00 C ATOM 1349 CG LEU A 80 4.968 -1.285 1.341 1.00 0.00 C ATOM 1350 CD1 LEU A 80 6.136 -0.664 2.093 1.00 0.00 C ATOM 1351 CD2 LEU A 80 3.925 -0.229 1.006 1.00 0.00 C ATOM 0 H LEU A 80 6.111 -3.947 1.414 1.00 0.00 H new ATOM 0 HA LEU A 80 3.782 -3.318 -0.084 1.00 0.00 H new ATOM 0 HB2 LEU A 80 6.542 -2.066 0.110 1.00 0.00 H new ATOM 0 HB3 LEU A 80 5.219 -1.350 -0.789 1.00 0.00 H new ATOM 0 HG LEU A 80 4.505 -2.033 1.985 1.00 0.00 H new ATOM 0 HD11 LEU A 80 5.769 -0.174 2.995 1.00 0.00 H new ATOM 0 HD12 LEU A 80 6.847 -1.443 2.367 1.00 0.00 H new ATOM 0 HD13 LEU A 80 6.630 0.070 1.456 1.00 0.00 H new ATOM 0 HD21 LEU A 80 3.590 0.255 1.923 1.00 0.00 H new ATOM 0 HD22 LEU A 80 4.362 0.516 0.341 1.00 0.00 H new ATOM 0 HD23 LEU A 80 3.075 -0.701 0.514 1.00 0.00 H new ATOM 1363 N VAL A 81 4.819 -3.073 -2.583 1.00 0.00 N ATOM 1364 CA VAL A 81 5.091 -3.424 -3.974 1.00 0.00 C ATOM 1365 C VAL A 81 5.133 -2.181 -4.857 1.00 0.00 C ATOM 1366 O VAL A 81 6.127 -1.927 -5.538 1.00 0.00 O ATOM 1367 CB VAL A 81 4.032 -4.403 -4.521 1.00 0.00 C ATOM 1368 CG1 VAL A 81 4.377 -4.839 -5.937 1.00 0.00 C ATOM 1369 CG2 VAL A 81 3.896 -5.611 -3.606 1.00 0.00 C ATOM 0 H VAL A 81 4.309 -2.198 -2.459 1.00 0.00 H new ATOM 0 HA VAL A 81 6.067 -3.909 -3.996 1.00 0.00 H new ATOM 0 HB VAL A 81 3.074 -3.884 -4.550 1.00 0.00 H new ATOM 0 HG11 VAL A 81 3.616 -5.529 -6.301 1.00 0.00 H new ATOM 0 HG12 VAL A 81 4.416 -3.965 -6.588 1.00 0.00 H new ATOM 0 HG13 VAL A 81 5.347 -5.336 -5.939 1.00 0.00 H new ATOM 0 HG21 VAL A 81 3.144 -6.290 -4.009 1.00 0.00 H new ATOM 0 HG22 VAL A 81 4.854 -6.128 -3.541 1.00 0.00 H new ATOM 0 HG23 VAL A 81 3.592 -5.282 -2.612 1.00 0.00 H new ATOM 1379 N ARG A 82 4.049 -1.413 -4.845 1.00 0.00 N ATOM 1380 CA ARG A 82 3.966 -0.197 -5.649 1.00 0.00 C ATOM 1381 C ARG A 82 3.779 1.033 -4.767 1.00 0.00 C ATOM 1382 O ARG A 82 3.422 0.918 -3.594 1.00 0.00 O ATOM 1383 CB ARG A 82 2.814 -0.300 -6.652 1.00 0.00 C ATOM 1384 CG ARG A 82 3.045 0.496 -7.926 1.00 0.00 C ATOM 1385 CD ARG A 82 2.927 -0.379 -9.164 1.00 0.00 C ATOM 1386 NE ARG A 82 4.234 -0.712 -9.726 1.00 0.00 N ATOM 1387 CZ ARG A 82 4.424 -1.631 -10.668 1.00 0.00 C ATOM 1388 NH1 ARG A 82 3.395 -2.311 -11.159 1.00 0.00 N ATOM 1389 NH2 ARG A 82 5.645 -1.871 -11.125 1.00 0.00 N ATOM 0 H ARG A 82 3.217 -1.609 -4.289 1.00 0.00 H new ATOM 0 HA ARG A 82 4.905 -0.090 -6.193 1.00 0.00 H new ATOM 0 HB2 ARG A 82 2.661 -1.348 -6.911 1.00 0.00 H new ATOM 0 HB3 ARG A 82 1.897 0.048 -6.177 1.00 0.00 H new ATOM 0 HG2 ARG A 82 2.321 1.308 -7.984 1.00 0.00 H new ATOM 0 HG3 ARG A 82 4.034 0.953 -7.896 1.00 0.00 H new ATOM 0 HD2 ARG A 82 2.397 -1.297 -8.910 1.00 0.00 H new ATOM 0 HD3 ARG A 82 2.330 0.136 -9.916 1.00 0.00 H new ATOM 0 HE ARG A 82 5.049 -0.210 -9.375 1.00 0.00 H new ATOM 0 HH11 ARG A 82 2.452 -2.130 -10.814 1.00 0.00 H new ATOM 0 HH12 ARG A 82 3.547 -3.015 -11.882 1.00 0.00 H new ATOM 0 HH21 ARG A 82 6.440 -1.350 -10.754 1.00 0.00 H new ATOM 0 HH22 ARG A 82 5.790 -2.576 -11.848 1.00 0.00 H new ATOM 1403 N LEU A 83 4.022 2.208 -5.338 1.00 0.00 N ATOM 1404 CA LEU A 83 3.882 3.462 -4.606 1.00 0.00 C ATOM 1405 C LEU A 83 4.159 4.655 -5.515 1.00 0.00 C ATOM 1406 O LEU A 83 5.313 4.984 -5.788 1.00 0.00 O ATOM 1407 CB LEU A 83 4.835 3.487 -3.408 1.00 0.00 C ATOM 1408 CG LEU A 83 4.420 4.418 -2.266 1.00 0.00 C ATOM 1409 CD1 LEU A 83 4.222 5.837 -2.777 1.00 0.00 C ATOM 1410 CD2 LEU A 83 3.151 3.909 -1.599 1.00 0.00 C ATOM 0 H LEU A 83 4.318 2.318 -6.308 1.00 0.00 H new ATOM 0 HA LEU A 83 2.855 3.532 -4.246 1.00 0.00 H new ATOM 0 HB2 LEU A 83 4.926 2.474 -3.015 1.00 0.00 H new ATOM 0 HB3 LEU A 83 5.824 3.784 -3.757 1.00 0.00 H new ATOM 0 HG LEU A 83 5.219 4.429 -1.524 1.00 0.00 H new ATOM 0 HD11 LEU A 83 3.927 6.484 -1.950 1.00 0.00 H new ATOM 0 HD12 LEU A 83 5.154 6.202 -3.208 1.00 0.00 H new ATOM 0 HD13 LEU A 83 3.442 5.844 -3.539 1.00 0.00 H new ATOM 0 HD21 LEU A 83 2.870 4.583 -0.789 1.00 0.00 H new ATOM 0 HD22 LEU A 83 2.346 3.868 -2.333 1.00 0.00 H new ATOM 0 HD23 LEU A 83 3.327 2.911 -1.196 1.00 0.00 H new ATOM 1422 N GLY A 84 3.094 5.300 -5.980 1.00 0.00 N ATOM 1423 CA GLY A 84 3.248 6.449 -6.852 1.00 0.00 C ATOM 1424 C GLY A 84 1.919 7.068 -7.237 1.00 0.00 C ATOM 1425 O GLY A 84 0.862 6.492 -6.984 1.00 0.00 O ATOM 0 H GLY A 84 2.129 5.048 -5.769 1.00 0.00 H new ATOM 0 HA2 GLY A 84 3.864 7.198 -6.355 1.00 0.00 H new ATOM 0 HA3 GLY A 84 3.780 6.147 -7.754 1.00 0.00 H new ATOM 1429 N SER A 85 1.973 8.246 -7.851 1.00 0.00 N ATOM 1430 CA SER A 85 0.765 8.944 -8.272 1.00 0.00 C ATOM 1431 C SER A 85 0.449 8.648 -9.735 1.00 0.00 C ATOM 1432 O SER A 85 1.351 8.426 -10.542 1.00 0.00 O ATOM 1433 CB SER A 85 0.924 10.451 -8.067 1.00 0.00 C ATOM 1434 OG SER A 85 2.127 10.922 -8.648 1.00 0.00 O ATOM 0 H SER A 85 2.841 8.736 -8.068 1.00 0.00 H new ATOM 0 HA SER A 85 -0.064 8.587 -7.660 1.00 0.00 H new ATOM 0 HB2 SER A 85 0.075 10.973 -8.509 1.00 0.00 H new ATOM 0 HB3 SER A 85 0.918 10.678 -7.001 1.00 0.00 H new ATOM 0 HG SER A 85 2.753 11.180 -7.940 1.00 0.00 H new ATOM 1440 N HIS A 86 -0.838 8.647 -10.067 1.00 0.00 N ATOM 1441 CA HIS A 86 -1.274 8.376 -11.433 1.00 0.00 C ATOM 1442 C HIS A 86 -0.870 9.513 -12.369 1.00 0.00 C ATOM 1443 O HIS A 86 -0.611 9.294 -13.551 1.00 0.00 O ATOM 1444 CB HIS A 86 -2.790 8.179 -11.478 1.00 0.00 C ATOM 1445 CG HIS A 86 -3.222 7.068 -12.382 1.00 0.00 C ATOM 1446 ND1 HIS A 86 -3.065 7.110 -13.753 1.00 0.00 N ATOM 1447 CD2 HIS A 86 -3.809 5.878 -12.109 1.00 0.00 C ATOM 1448 CE1 HIS A 86 -3.537 5.995 -14.283 1.00 0.00 C ATOM 1449 NE2 HIS A 86 -3.992 5.231 -13.307 1.00 0.00 N ATOM 0 H HIS A 86 -1.597 8.830 -9.410 1.00 0.00 H new ATOM 0 HA HIS A 86 -0.786 7.461 -11.768 1.00 0.00 H new ATOM 0 HB2 HIS A 86 -3.152 7.978 -10.470 1.00 0.00 H new ATOM 0 HB3 HIS A 86 -3.259 9.107 -11.806 1.00 0.00 H new ATOM 0 HD2 HIS A 86 -4.082 5.507 -11.132 1.00 0.00 H new ATOM 0 HE1 HIS A 86 -3.549 5.751 -15.335 1.00 0.00 H new ATOM 0 HE2 HIS A 86 -4.412 4.309 -13.424 1.00 0.00 H new ATOM 1458 N SER A 87 -0.818 10.726 -11.828 1.00 0.00 N ATOM 1459 CA SER A 87 -0.446 11.897 -12.614 1.00 0.00 C ATOM 1460 C SER A 87 1.033 11.858 -12.984 1.00 0.00 C ATOM 1461 O SER A 87 1.415 12.218 -14.097 1.00 0.00 O ATOM 1462 CB SER A 87 -0.756 13.178 -11.836 1.00 0.00 C ATOM 1463 OG SER A 87 -0.654 14.320 -12.670 1.00 0.00 O ATOM 0 H SER A 87 -1.028 10.924 -10.850 1.00 0.00 H new ATOM 0 HA SER A 87 -1.031 11.887 -13.533 1.00 0.00 H new ATOM 0 HB2 SER A 87 -1.761 13.118 -11.417 1.00 0.00 H new ATOM 0 HB3 SER A 87 -0.066 13.274 -10.997 1.00 0.00 H new ATOM 0 HG SER A 87 -0.858 15.125 -12.149 1.00 0.00 H new ATOM 1469 N GLU A 88 1.863 11.420 -12.042 1.00 0.00 N ATOM 1470 CA GLU A 88 3.300 11.335 -12.269 1.00 0.00 C ATOM 1471 C GLU A 88 3.644 10.122 -13.127 1.00 0.00 C ATOM 1472 O GLU A 88 4.226 10.255 -14.204 1.00 0.00 O ATOM 1473 CB GLU A 88 4.045 11.257 -10.935 1.00 0.00 C ATOM 1474 CG GLU A 88 4.059 12.571 -10.169 1.00 0.00 C ATOM 1475 CD GLU A 88 5.149 13.510 -10.643 1.00 0.00 C ATOM 1476 OE1 GLU A 88 6.224 13.017 -11.046 1.00 0.00 O ATOM 1477 OE2 GLU A 88 4.930 14.739 -10.611 1.00 0.00 O ATOM 0 H GLU A 88 1.564 11.119 -11.115 1.00 0.00 H new ATOM 0 HA GLU A 88 3.612 12.234 -12.800 1.00 0.00 H new ATOM 0 HB2 GLU A 88 3.583 10.489 -10.315 1.00 0.00 H new ATOM 0 HB3 GLU A 88 5.072 10.942 -11.120 1.00 0.00 H new ATOM 0 HG2 GLU A 88 3.091 13.060 -10.277 1.00 0.00 H new ATOM 0 HG3 GLU A 88 4.197 12.367 -9.107 1.00 0.00 H new ATOM 1484 N LEU A 89 3.281 8.938 -12.642 1.00 0.00 N ATOM 1485 CA LEU A 89 3.552 7.700 -13.364 1.00 0.00 C ATOM 1486 C LEU A 89 2.880 7.710 -14.733 1.00 0.00 C ATOM 1487 O LEU A 89 3.542 7.575 -15.763 1.00 0.00 O ATOM 1488 CB LEU A 89 3.069 6.496 -12.553 1.00 0.00 C ATOM 1489 CG LEU A 89 4.050 5.996 -11.490 1.00 0.00 C ATOM 1490 CD1 LEU A 89 3.836 6.732 -10.176 1.00 0.00 C ATOM 1491 CD2 LEU A 89 3.901 4.495 -11.294 1.00 0.00 C ATOM 0 H LEU A 89 2.799 8.810 -11.752 1.00 0.00 H new ATOM 0 HA LEU A 89 4.629 7.622 -13.510 1.00 0.00 H new ATOM 0 HB2 LEU A 89 2.131 6.759 -12.065 1.00 0.00 H new ATOM 0 HB3 LEU A 89 2.853 5.678 -13.240 1.00 0.00 H new ATOM 0 HG LEU A 89 5.064 6.199 -11.834 1.00 0.00 H new ATOM 0 HD11 LEU A 89 4.543 6.363 -9.433 1.00 0.00 H new ATOM 0 HD12 LEU A 89 3.994 7.800 -10.327 1.00 0.00 H new ATOM 0 HD13 LEU A 89 2.818 6.562 -9.825 1.00 0.00 H new ATOM 0 HD21 LEU A 89 4.606 4.155 -10.535 1.00 0.00 H new ATOM 0 HD22 LEU A 89 2.884 4.269 -10.972 1.00 0.00 H new ATOM 0 HD23 LEU A 89 4.106 3.983 -12.234 1.00 0.00 H new ATOM 1503 N PHE A 90 1.559 7.868 -14.737 1.00 0.00 N ATOM 1504 CA PHE A 90 0.798 7.892 -15.980 1.00 0.00 C ATOM 1505 C PHE A 90 0.872 9.269 -16.637 1.00 0.00 C ATOM 1506 O PHE A 90 0.182 9.475 -17.656 1.00 0.00 O ATOM 1507 CB PHE A 90 -0.663 7.515 -15.716 1.00 0.00 C ATOM 1508 CG PHE A 90 -1.118 6.307 -16.485 1.00 0.00 C ATOM 1509 CD1 PHE A 90 -0.771 5.033 -16.069 1.00 0.00 C ATOM 1510 CD2 PHE A 90 -1.894 6.448 -17.625 1.00 0.00 C ATOM 1511 CE1 PHE A 90 -1.188 3.920 -16.773 1.00 0.00 C ATOM 1512 CE2 PHE A 90 -2.315 5.338 -18.334 1.00 0.00 C ATOM 1513 CZ PHE A 90 -1.961 4.073 -17.907 1.00 0.00 C ATOM 0 H PHE A 90 0.995 7.981 -13.894 1.00 0.00 H new ATOM 0 HA PHE A 90 1.236 7.162 -16.660 1.00 0.00 H new ATOM 0 HB2 PHE A 90 -0.795 7.329 -14.650 1.00 0.00 H new ATOM 0 HB3 PHE A 90 -1.301 8.361 -15.973 1.00 0.00 H new ATOM 0 HD1 PHE A 90 -0.167 4.908 -15.183 1.00 0.00 H new ATOM 0 HD2 PHE A 90 -2.173 7.435 -17.963 1.00 0.00 H new ATOM 0 HE1 PHE A 90 -0.910 2.932 -16.437 1.00 0.00 H new ATOM 0 HE2 PHE A 90 -2.920 5.460 -19.220 1.00 0.00 H new ATOM 0 HZ PHE A 90 -2.288 3.205 -18.459 1.00 0.00 H new TER 1523 PHE A 90