USER MOD reduce.3.24.130724 H: found=0, std=0, add=375, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 382 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 8 THR OG1 : rot -88:sc= 1.27 USER MOD Set 1.2: A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 GLN : amide:sc= 0 X(o=0,f=-0.081) USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 18 ASN : amide:sc= -0.0216 X(o=-0.022,f=-0.24) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 ASN : amide:sc= 0 K(o=0,f=-0.95) USER MOD Single : B 33 ASN : amide:sc= 0.669 K(o=0.67,f=-4.4!) USER MOD Single : B 34 GLN : amide:sc= 0.0813 X(o=0.081,f=-0.004) USER MOD Single : B 35 HIS : no HE2:sc= 0.0201 K(o=0.02,f=-0.67) USER MOD Single : B 39 SER OG : rot 180:sc= 0 USER MOD Single : B 40 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 46 TYR OH : rot 180:sc= 0 USER MOD Single : B 52 GLN : amide:sc= 0 X(o=0,f=-0.03) USER MOD Single : B 56 TYR OH : rot 180:sc= 0 USER MOD Single : B 57 THR OG1 : rot 180:sc= 0 USER MOD Single : B 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 60 THR OG1 : rot 44:sc= 0.724 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 3.139 1.032 -3.465 1.00 25.00 N ATOM 2 CA GLY A 1 3.797 0.549 -2.182 1.00 25.00 C ATOM 3 C GLY A 1 4.374 -0.877 -2.089 1.00 25.00 C ATOM 4 O GLY A 1 3.745 -1.898 -2.262 1.00 25.00 O ATOM 0 H1 GLY A 1 2.812 2.011 -3.340 1.00 25.00 H new ATOM 0 H2 GLY A 1 3.827 0.993 -4.244 1.00 25.00 H new ATOM 0 H3 GLY A 1 2.327 0.422 -3.690 1.00 25.00 H new ATOM 0 HA2 GLY A 1 4.609 1.240 -1.957 1.00 25.00 H new ATOM 0 HA3 GLY A 1 3.061 0.651 -1.385 1.00 25.00 H new ATOM 9 N ILE A 2 5.669 -0.947 -1.648 1.00 25.00 N ATOM 10 CA ILE A 2 6.505 -2.170 -1.548 1.00 25.00 C ATOM 11 C ILE A 2 5.875 -3.370 -0.793 1.00 25.00 C ATOM 12 O ILE A 2 6.017 -4.536 -1.193 1.00 25.00 O ATOM 13 CB ILE A 2 7.943 -1.882 -0.908 1.00 25.00 C ATOM 14 CG1 ILE A 2 8.911 -3.051 -1.226 1.00 25.00 C ATOM 15 CG2 ILE A 2 7.882 -1.613 0.637 1.00 25.00 C ATOM 16 CD1 ILE A 2 10.297 -2.910 -0.543 1.00 25.00 C ATOM 0 H ILE A 2 6.172 -0.114 -1.342 1.00 25.00 H new ATOM 0 HA ILE A 2 6.595 -2.464 -2.594 1.00 25.00 H new ATOM 0 HB ILE A 2 8.319 -0.966 -1.364 1.00 25.00 H new ATOM 0 HG12 ILE A 2 8.453 -3.988 -0.910 1.00 25.00 H new ATOM 0 HG13 ILE A 2 9.051 -3.113 -2.305 1.00 25.00 H new ATOM 0 HG21 ILE A 2 8.887 -1.424 1.013 1.00 25.00 H new ATOM 0 HG22 ILE A 2 7.253 -0.744 0.830 1.00 25.00 H new ATOM 0 HG23 ILE A 2 7.463 -2.484 1.142 1.00 25.00 H new ATOM 0 HD11 ILE A 2 10.922 -3.762 -0.809 1.00 25.00 H new ATOM 0 HD12 ILE A 2 10.776 -1.990 -0.878 1.00 25.00 H new ATOM 0 HD13 ILE A 2 10.168 -2.879 0.539 1.00 25.00 H new ATOM 28 N VAL A 3 5.060 -3.092 0.205 1.00 25.00 N ATOM 29 CA VAL A 3 4.344 -4.158 0.941 1.00 25.00 C ATOM 30 C VAL A 3 3.239 -4.769 0.093 1.00 25.00 C ATOM 31 O VAL A 3 3.231 -5.972 -0.128 1.00 25.00 O ATOM 32 CB VAL A 3 3.785 -3.622 2.300 1.00 25.00 C ATOM 33 CG1 VAL A 3 3.330 -4.764 3.172 1.00 25.00 C ATOM 34 CG2 VAL A 3 4.886 -2.757 3.082 1.00 25.00 C ATOM 0 H VAL A 3 4.866 -2.147 0.537 1.00 25.00 H new ATOM 0 HA VAL A 3 5.061 -4.948 1.163 1.00 25.00 H new ATOM 0 HB VAL A 3 2.934 -2.979 2.074 1.00 25.00 H new ATOM 0 HG11 VAL A 3 2.944 -4.372 4.113 1.00 25.00 H new ATOM 0 HG12 VAL A 3 2.544 -5.321 2.662 1.00 25.00 H new ATOM 0 HG13 VAL A 3 4.172 -5.426 3.373 1.00 25.00 H new ATOM 0 HG21 VAL A 3 4.467 -2.399 4.022 1.00 25.00 H new ATOM 0 HG22 VAL A 3 5.758 -3.378 3.287 1.00 25.00 H new ATOM 0 HG23 VAL A 3 5.182 -1.906 2.469 1.00 25.00 H new ATOM 44 N GLU A 4 2.281 -3.947 -0.375 1.00 25.00 N ATOM 45 CA GLU A 4 1.156 -4.480 -1.154 1.00 25.00 C ATOM 46 C GLU A 4 1.628 -5.095 -2.492 1.00 25.00 C ATOM 47 O GLU A 4 0.970 -6.017 -3.047 1.00 25.00 O ATOM 48 CB GLU A 4 0.093 -3.400 -1.407 1.00 25.00 C ATOM 49 CG GLU A 4 0.525 -2.223 -2.281 1.00 25.00 C ATOM 50 CD GLU A 4 -0.567 -1.200 -2.456 1.00 25.00 C ATOM 51 OE1 GLU A 4 -0.470 -0.055 -2.164 1.00 25.00 O ATOM 52 OE2 GLU A 4 -1.618 -1.661 -2.984 1.00 25.00 O ATOM 0 H GLU A 4 2.264 -2.937 -0.231 1.00 25.00 H new ATOM 0 HA GLU A 4 0.705 -5.275 -0.560 1.00 25.00 H new ATOM 0 HB2 GLU A 4 -0.772 -3.873 -1.871 1.00 25.00 H new ATOM 0 HB3 GLU A 4 -0.236 -3.010 -0.444 1.00 25.00 H new ATOM 0 HG2 GLU A 4 1.397 -1.745 -1.835 1.00 25.00 H new ATOM 0 HG3 GLU A 4 0.830 -2.594 -3.259 1.00 25.00 H new ATOM 60 N GLN A 5 2.756 -4.611 -2.982 1.00 25.00 N ATOM 61 CA GLN A 5 3.352 -5.100 -4.222 1.00 25.00 C ATOM 62 C GLN A 5 4.005 -6.490 -4.001 1.00 25.00 C ATOM 63 O GLN A 5 3.734 -7.430 -4.742 1.00 25.00 O ATOM 64 CB GLN A 5 4.370 -4.051 -4.729 1.00 25.00 C ATOM 65 CG GLN A 5 4.746 -4.239 -6.233 1.00 25.00 C ATOM 66 CD GLN A 5 5.277 -2.984 -6.894 1.00 25.00 C ATOM 67 OE1 GLN A 5 4.653 -1.917 -6.850 1.00 25.00 O ATOM 68 NE2 GLN A 5 6.354 -3.107 -7.615 1.00 25.00 N ATOM 0 H GLN A 5 3.289 -3.866 -2.533 1.00 25.00 H new ATOM 0 HA GLN A 5 2.583 -5.234 -4.983 1.00 25.00 H new ATOM 0 HB2 GLN A 5 3.956 -3.053 -4.586 1.00 25.00 H new ATOM 0 HB3 GLN A 5 5.275 -4.110 -4.124 1.00 25.00 H new ATOM 0 HG2 GLN A 5 5.496 -5.026 -6.314 1.00 25.00 H new ATOM 0 HG3 GLN A 5 3.866 -4.580 -6.778 1.00 25.00 H new ATOM 0 HE21 GLN A 5 6.854 -3.996 -7.637 1.00 25.00 H new ATOM 0 HE22 GLN A 5 6.698 -2.315 -8.157 1.00 25.00 H new ATOM 77 N CYS A 6 4.835 -6.615 -2.970 1.00 25.00 N ATOM 78 CA CYS A 6 5.501 -7.891 -2.678 1.00 25.00 C ATOM 79 C CYS A 6 4.534 -8.936 -2.067 1.00 25.00 C ATOM 80 O CYS A 6 4.809 -10.174 -2.137 1.00 25.00 O ATOM 81 CB CYS A 6 6.651 -7.661 -1.726 1.00 25.00 C ATOM 82 SG CYS A 6 8.099 -6.749 -2.404 1.00 25.00 S ATOM 0 H CYS A 6 5.065 -5.859 -2.325 1.00 25.00 H new ATOM 0 HA CYS A 6 5.864 -8.289 -3.626 1.00 25.00 H new ATOM 0 HB2 CYS A 6 6.276 -7.113 -0.862 1.00 25.00 H new ATOM 0 HB3 CYS A 6 6.995 -8.630 -1.365 1.00 25.00 H new ATOM 87 N CYS A 7 3.455 -8.463 -1.492 1.00 25.00 N ATOM 88 CA CYS A 7 2.474 -9.340 -0.899 1.00 25.00 C ATOM 89 C CYS A 7 1.624 -10.040 -1.992 1.00 25.00 C ATOM 90 O CYS A 7 0.952 -11.023 -1.714 1.00 25.00 O ATOM 91 CB CYS A 7 1.580 -8.580 0.083 1.00 25.00 C ATOM 92 SG CYS A 7 2.349 -8.185 1.695 1.00 25.00 S ATOM 0 H CYS A 7 3.233 -7.470 -1.422 1.00 25.00 H new ATOM 0 HA CYS A 7 3.007 -10.110 -0.341 1.00 25.00 H new ATOM 0 HB2 CYS A 7 1.261 -7.649 -0.387 1.00 25.00 H new ATOM 0 HB3 CYS A 7 0.682 -9.170 0.263 1.00 25.00 H new ATOM 97 N THR A 8 1.646 -9.497 -3.219 1.00 25.00 N ATOM 98 CA THR A 8 0.758 -9.974 -4.280 1.00 25.00 C ATOM 99 C THR A 8 1.492 -10.390 -5.543 1.00 25.00 C ATOM 100 O THR A 8 0.970 -11.101 -6.403 1.00 25.00 O ATOM 101 CB THR A 8 -0.208 -8.877 -4.699 1.00 25.00 C ATOM 102 OG1 THR A 8 0.481 -7.713 -5.092 1.00 25.00 O ATOM 103 CG2 THR A 8 -1.149 -8.480 -3.545 1.00 25.00 C ATOM 0 H THR A 8 2.264 -8.734 -3.495 1.00 25.00 H new ATOM 0 HA THR A 8 0.250 -10.839 -3.853 1.00 25.00 H new ATOM 0 HB THR A 8 -0.782 -9.282 -5.532 1.00 25.00 H new ATOM 0 HG1 THR A 8 0.641 -7.147 -4.308 1.00 25.00 H new ATOM 0 HG21 THR A 8 -1.825 -7.694 -3.881 1.00 25.00 H new ATOM 0 HG22 THR A 8 -1.729 -9.349 -3.233 1.00 25.00 H new ATOM 0 HG23 THR A 8 -0.559 -8.116 -2.703 1.00 25.00 H new ATOM 111 N SER A 9 2.755 -10.044 -5.603 1.00 25.00 N ATOM 112 CA SER A 9 3.622 -10.395 -6.729 1.00 25.00 C ATOM 113 C SER A 9 4.990 -10.773 -6.190 1.00 25.00 C ATOM 114 O SER A 9 5.276 -10.533 -4.997 1.00 25.00 O ATOM 115 CB SER A 9 3.745 -9.223 -7.700 1.00 25.00 C ATOM 116 OG SER A 9 2.455 -8.811 -8.055 1.00 25.00 O ATOM 0 H SER A 9 3.224 -9.508 -4.873 1.00 25.00 H new ATOM 0 HA SER A 9 3.190 -11.236 -7.271 1.00 25.00 H new ATOM 0 HB2 SER A 9 4.292 -8.402 -7.237 1.00 25.00 H new ATOM 0 HB3 SER A 9 4.306 -9.521 -8.586 1.00 25.00 H new ATOM 0 HG SER A 9 2.512 -8.057 -8.678 1.00 25.00 H new ATOM 122 N ILE A 10 5.848 -11.340 -7.042 1.00 25.00 N ATOM 123 CA ILE A 10 7.229 -11.573 -6.685 1.00 25.00 C ATOM 124 C ILE A 10 8.004 -10.320 -7.106 1.00 25.00 C ATOM 125 O ILE A 10 8.260 -10.104 -8.272 1.00 25.00 O ATOM 126 CB ILE A 10 7.847 -12.911 -7.287 1.00 25.00 C ATOM 127 CG1 ILE A 10 6.937 -14.134 -6.918 1.00 25.00 C ATOM 128 CG2 ILE A 10 9.273 -13.138 -6.750 1.00 25.00 C ATOM 129 CD1 ILE A 10 7.379 -15.506 -7.492 1.00 25.00 C ATOM 0 H ILE A 10 5.599 -11.643 -7.984 1.00 25.00 H new ATOM 0 HA ILE A 10 7.303 -11.738 -5.610 1.00 25.00 H new ATOM 0 HB ILE A 10 7.895 -12.813 -8.372 1.00 25.00 H new ATOM 0 HG12 ILE A 10 6.892 -14.214 -5.832 1.00 25.00 H new ATOM 0 HG13 ILE A 10 5.925 -13.926 -7.264 1.00 25.00 H new ATOM 0 HG21 ILE A 10 9.679 -14.057 -7.173 1.00 25.00 H new ATOM 0 HG22 ILE A 10 9.907 -12.298 -7.033 1.00 25.00 H new ATOM 0 HG23 ILE A 10 9.244 -13.220 -5.663 1.00 25.00 H new ATOM 0 HD11 ILE A 10 6.678 -16.277 -7.173 1.00 25.00 H new ATOM 0 HD12 ILE A 10 7.394 -15.457 -8.581 1.00 25.00 H new ATOM 0 HD13 ILE A 10 8.376 -15.749 -7.126 1.00 25.00 H new ATOM 141 N CYS A 11 8.346 -9.488 -6.154 1.00 25.00 N ATOM 142 CA CYS A 11 9.173 -8.317 -6.390 1.00 25.00 C ATOM 143 C CYS A 11 10.628 -8.843 -6.533 1.00 25.00 C ATOM 144 O CYS A 11 11.231 -9.375 -5.573 1.00 25.00 O ATOM 145 CB CYS A 11 9.050 -7.348 -5.186 1.00 25.00 C ATOM 146 SG CYS A 11 9.137 -8.090 -3.505 1.00 25.00 S ATOM 0 H CYS A 11 8.058 -9.600 -5.182 1.00 25.00 H new ATOM 0 HA CYS A 11 8.870 -7.770 -7.282 1.00 25.00 H new ATOM 0 HB2 CYS A 11 9.841 -6.603 -5.269 1.00 25.00 H new ATOM 0 HB3 CYS A 11 8.102 -6.817 -5.274 1.00 25.00 H new ATOM 151 N SER A 12 11.172 -8.757 -7.753 1.00 25.00 N ATOM 152 CA SER A 12 12.542 -9.237 -8.059 1.00 25.00 C ATOM 153 C SER A 12 13.612 -8.482 -7.285 1.00 25.00 C ATOM 154 O SER A 12 13.468 -7.300 -7.035 1.00 25.00 O ATOM 155 CB SER A 12 12.794 -9.081 -9.580 1.00 25.00 C ATOM 156 OG SER A 12 11.818 -9.760 -10.370 1.00 25.00 O ATOM 0 H SER A 12 10.686 -8.357 -8.556 1.00 25.00 H new ATOM 0 HA SER A 12 12.607 -10.282 -7.756 1.00 25.00 H new ATOM 0 HB2 SER A 12 12.792 -8.022 -9.838 1.00 25.00 H new ATOM 0 HB3 SER A 12 13.784 -9.467 -9.822 1.00 25.00 H new ATOM 0 HG SER A 12 12.019 -9.631 -11.320 1.00 25.00 H new ATOM 162 N LEU A 13 14.698 -9.154 -6.928 1.00 25.00 N ATOM 163 CA LEU A 13 15.821 -8.541 -6.183 1.00 25.00 C ATOM 164 C LEU A 13 16.283 -7.253 -6.835 1.00 25.00 C ATOM 165 O LEU A 13 16.624 -6.304 -6.164 1.00 25.00 O ATOM 166 CB LEU A 13 17.011 -9.523 -6.102 1.00 25.00 C ATOM 167 CG LEU A 13 18.308 -9.071 -5.377 1.00 25.00 C ATOM 168 CD1 LEU A 13 18.077 -8.831 -3.854 1.00 25.00 C ATOM 169 CD2 LEU A 13 19.389 -10.133 -5.566 1.00 25.00 C ATOM 0 H LEU A 13 14.838 -10.142 -7.141 1.00 25.00 H new ATOM 0 HA LEU A 13 15.461 -8.313 -5.180 1.00 25.00 H new ATOM 0 HB2 LEU A 13 16.658 -10.430 -5.611 1.00 25.00 H new ATOM 0 HB3 LEU A 13 17.282 -9.798 -7.121 1.00 25.00 H new ATOM 0 HG LEU A 13 18.621 -8.124 -5.816 1.00 25.00 H new ATOM 0 HD11 LEU A 13 19.012 -8.517 -3.389 1.00 25.00 H new ATOM 0 HD12 LEU A 13 17.325 -8.054 -3.718 1.00 25.00 H new ATOM 0 HD13 LEU A 13 17.733 -9.754 -3.388 1.00 25.00 H new ATOM 0 HD21 LEU A 13 20.301 -9.819 -5.058 1.00 25.00 H new ATOM 0 HD22 LEU A 13 19.047 -11.079 -5.146 1.00 25.00 H new ATOM 0 HD23 LEU A 13 19.592 -10.261 -6.629 1.00 25.00 H new ATOM 181 N TYR A 14 16.306 -7.245 -8.142 1.00 25.00 N ATOM 182 CA TYR A 14 16.794 -6.108 -8.895 1.00 25.00 C ATOM 183 C TYR A 14 16.065 -4.842 -8.508 1.00 25.00 C ATOM 184 O TYR A 14 16.660 -3.771 -8.385 1.00 25.00 O ATOM 185 CB TYR A 14 16.699 -6.391 -10.386 1.00 25.00 C ATOM 186 CG TYR A 14 17.399 -5.322 -11.215 1.00 25.00 C ATOM 187 CD1 TYR A 14 16.718 -4.170 -11.625 1.00 25.00 C ATOM 188 CD2 TYR A 14 18.746 -5.472 -11.580 1.00 25.00 C ATOM 189 CE1 TYR A 14 17.383 -3.194 -12.425 1.00 25.00 C ATOM 190 CE2 TYR A 14 19.406 -4.501 -12.368 1.00 25.00 C ATOM 191 CZ TYR A 14 18.724 -3.375 -12.787 1.00 25.00 C ATOM 192 OH TYR A 14 19.364 -2.435 -13.573 1.00 25.00 O ATOM 0 H TYR A 14 15.988 -8.024 -8.719 1.00 25.00 H new ATOM 0 HA TYR A 14 17.844 -5.949 -8.651 1.00 25.00 H new ATOM 0 HB2 TYR A 14 17.142 -7.364 -10.599 1.00 25.00 H new ATOM 0 HB3 TYR A 14 15.650 -6.448 -10.678 1.00 25.00 H new ATOM 0 HD1 TYR A 14 15.688 -4.020 -11.335 1.00 25.00 H new ATOM 0 HD2 TYR A 14 19.289 -6.346 -11.253 1.00 25.00 H new ATOM 0 HE1 TYR A 14 16.851 -2.313 -12.753 1.00 25.00 H new ATOM 0 HE2 TYR A 14 20.441 -4.639 -12.642 1.00 25.00 H new ATOM 0 HH TYR A 14 20.290 -2.715 -13.729 1.00 25.00 H new ATOM 202 N GLN A 15 14.727 -4.985 -8.303 1.00 25.00 N ATOM 203 CA GLN A 15 13.856 -3.857 -7.930 1.00 25.00 C ATOM 204 C GLN A 15 13.870 -3.655 -6.428 1.00 25.00 C ATOM 205 O GLN A 15 13.862 -2.530 -5.970 1.00 25.00 O ATOM 206 CB GLN A 15 12.400 -4.223 -8.273 1.00 25.00 C ATOM 207 CG GLN A 15 11.596 -3.089 -8.930 1.00 25.00 C ATOM 208 CD GLN A 15 11.415 -3.253 -10.456 1.00 25.00 C ATOM 209 OE1 GLN A 15 10.759 -4.160 -10.906 1.00 25.00 O ATOM 210 NE2 GLN A 15 12.049 -2.453 -11.227 1.00 25.00 N ATOM 0 H GLN A 15 14.237 -5.875 -8.392 1.00 25.00 H new ATOM 0 HA GLN A 15 14.208 -2.969 -8.456 1.00 25.00 H new ATOM 0 HB2 GLN A 15 12.403 -5.084 -8.941 1.00 25.00 H new ATOM 0 HB3 GLN A 15 11.891 -4.530 -7.359 1.00 25.00 H new ATOM 0 HG2 GLN A 15 10.613 -3.035 -8.461 1.00 25.00 H new ATOM 0 HG3 GLN A 15 12.096 -2.141 -8.733 1.00 25.00 H new ATOM 0 HE21 GLN A 15 12.599 -1.691 -10.830 1.00 25.00 H new ATOM 0 HE22 GLN A 15 12.004 -2.577 -12.238 1.00 25.00 H new ATOM 219 N LEU A 16 13.891 -4.746 -5.647 1.00 25.00 N ATOM 220 CA LEU A 16 13.925 -4.667 -4.200 1.00 25.00 C ATOM 221 C LEU A 16 15.082 -3.807 -3.687 1.00 25.00 C ATOM 222 O LEU A 16 14.895 -2.913 -2.892 1.00 25.00 O ATOM 223 CB LEU A 16 13.991 -6.092 -3.600 1.00 25.00 C ATOM 224 CG LEU A 16 13.730 -6.106 -2.078 1.00 25.00 C ATOM 225 CD1 LEU A 16 12.312 -6.355 -1.770 1.00 25.00 C ATOM 226 CD2 LEU A 16 14.642 -7.166 -1.343 1.00 25.00 C ATOM 0 H LEU A 16 13.885 -5.699 -6.011 1.00 25.00 H new ATOM 0 HA LEU A 16 13.007 -4.178 -3.874 1.00 25.00 H new ATOM 0 HB2 LEU A 16 13.257 -6.726 -4.097 1.00 25.00 H new ATOM 0 HB3 LEU A 16 14.972 -6.522 -3.801 1.00 25.00 H new ATOM 0 HG LEU A 16 13.989 -5.114 -1.707 1.00 25.00 H new ATOM 0 HD11 LEU A 16 12.169 -6.357 -0.689 1.00 25.00 H new ATOM 0 HD12 LEU A 16 11.700 -5.571 -2.215 1.00 25.00 H new ATOM 0 HD13 LEU A 16 12.016 -7.322 -2.177 1.00 25.00 H new ATOM 0 HD21 LEU A 16 14.431 -7.148 -0.274 1.00 25.00 H new ATOM 0 HD22 LEU A 16 14.434 -8.161 -1.737 1.00 25.00 H new ATOM 0 HD23 LEU A 16 15.691 -6.922 -1.510 1.00 25.00 H new ATOM 238 N GLU A 17 16.253 -4.043 -4.235 1.00 25.00 N ATOM 239 CA GLU A 17 17.448 -3.316 -3.834 1.00 25.00 C ATOM 240 C GLU A 17 17.325 -1.816 -4.163 1.00 25.00 C ATOM 241 O GLU A 17 18.003 -0.991 -3.577 1.00 25.00 O ATOM 242 CB GLU A 17 18.697 -3.879 -4.563 1.00 25.00 C ATOM 243 CG GLU A 17 19.562 -4.684 -3.633 1.00 25.00 C ATOM 244 CD GLU A 17 20.212 -3.823 -2.576 1.00 25.00 C ATOM 245 OE1 GLU A 17 20.712 -2.766 -2.805 1.00 25.00 O ATOM 246 OE2 GLU A 17 20.219 -4.345 -1.409 1.00 25.00 O ATOM 0 H GLU A 17 16.409 -4.737 -4.966 1.00 25.00 H new ATOM 0 HA GLU A 17 17.556 -3.441 -2.757 1.00 25.00 H new ATOM 0 HB2 GLU A 17 18.381 -4.503 -5.399 1.00 25.00 H new ATOM 0 HB3 GLU A 17 19.277 -3.056 -4.981 1.00 25.00 H new ATOM 0 HG2 GLU A 17 18.959 -5.454 -3.152 1.00 25.00 H new ATOM 0 HG3 GLU A 17 20.333 -5.196 -4.208 1.00 25.00 H new ATOM 254 N ASN A 18 16.503 -1.468 -5.113 1.00 25.00 N ATOM 255 CA ASN A 18 16.389 -0.085 -5.524 1.00 25.00 C ATOM 256 C ASN A 18 15.597 0.683 -4.465 1.00 25.00 C ATOM 257 O ASN A 18 15.461 1.885 -4.545 1.00 25.00 O ATOM 258 CB ASN A 18 15.659 0.037 -6.825 1.00 25.00 C ATOM 259 CG ASN A 18 16.193 1.168 -7.681 1.00 25.00 C ATOM 260 OD1 ASN A 18 17.365 1.259 -7.941 1.00 25.00 O ATOM 261 ND2 ASN A 18 15.328 2.042 -8.145 1.00 25.00 N ATOM 0 H ASN A 18 15.901 -2.116 -5.620 1.00 25.00 H new ATOM 0 HA ASN A 18 17.395 0.319 -5.640 1.00 25.00 H new ATOM 0 HB2 ASN A 18 15.741 -0.901 -7.374 1.00 25.00 H new ATOM 0 HB3 ASN A 18 14.599 0.201 -6.630 1.00 25.00 H new ATOM 0 HD21 ASN A 18 15.646 2.811 -8.734 1.00 25.00 H new ATOM 0 HD22 ASN A 18 14.338 1.951 -7.916 1.00 25.00 H new ATOM 268 N TYR A 19 15.039 -0.007 -3.497 1.00 25.00 N ATOM 269 CA TYR A 19 14.308 0.663 -2.399 1.00 25.00 C ATOM 270 C TYR A 19 15.326 1.092 -1.356 1.00 25.00 C ATOM 271 O TYR A 19 15.033 1.835 -0.447 1.00 25.00 O ATOM 272 CB TYR A 19 13.267 -0.246 -1.771 1.00 25.00 C ATOM 273 CG TYR A 19 12.064 -0.452 -2.649 1.00 25.00 C ATOM 274 CD1 TYR A 19 10.980 0.456 -2.628 1.00 25.00 C ATOM 275 CD2 TYR A 19 11.967 -1.576 -3.486 1.00 25.00 C ATOM 276 CE1 TYR A 19 9.814 0.214 -3.405 1.00 25.00 C ATOM 277 CE2 TYR A 19 10.807 -1.815 -4.278 1.00 25.00 C ATOM 278 CZ TYR A 19 9.747 -0.940 -4.200 1.00 25.00 C ATOM 279 OH TYR A 19 8.602 -1.127 -4.930 1.00 25.00 O ATOM 0 H TYR A 19 15.066 -1.024 -3.430 1.00 25.00 H new ATOM 0 HA TYR A 19 13.773 1.524 -2.800 1.00 25.00 H new ATOM 0 HB2 TYR A 19 13.721 -1.213 -1.552 1.00 25.00 H new ATOM 0 HB3 TYR A 19 12.948 0.179 -0.819 1.00 25.00 H new ATOM 0 HD1 TYR A 19 11.038 1.343 -2.015 1.00 25.00 H new ATOM 0 HD2 TYR A 19 12.790 -2.274 -3.530 1.00 25.00 H new ATOM 0 HE1 TYR A 19 8.989 0.911 -3.383 1.00 25.00 H new ATOM 0 HE2 TYR A 19 10.760 -2.673 -4.932 1.00 25.00 H new ATOM 0 HH TYR A 19 8.673 -1.960 -5.442 1.00 25.00 H new ATOM 289 N CYS A 20 16.560 0.591 -1.537 1.00 25.00 N ATOM 290 CA CYS A 20 17.718 0.977 -0.739 1.00 25.00 C ATOM 291 C CYS A 20 18.692 1.645 -1.693 1.00 25.00 C ATOM 292 O CYS A 20 18.298 1.999 -2.815 1.00 25.00 O ATOM 293 CB CYS A 20 18.386 -0.276 -0.145 1.00 25.00 C ATOM 294 SG CYS A 20 17.389 -1.135 1.121 1.00 25.00 S ATOM 0 H CYS A 20 16.775 -0.102 -2.253 1.00 25.00 H new ATOM 0 HA CYS A 20 17.427 1.638 0.078 1.00 25.00 H new ATOM 0 HB2 CYS A 20 18.604 -0.974 -0.953 1.00 25.00 H new ATOM 0 HB3 CYS A 20 19.341 0.011 0.295 1.00 25.00 H new ATOM 299 N ASN A 21 19.975 1.782 -1.317 1.00 25.00 N ATOM 300 CA ASN A 21 20.983 2.255 -2.289 1.00 25.00 C ATOM 301 C ASN A 21 21.387 1.133 -3.271 1.00 25.00 C ATOM 302 O ASN A 21 22.479 0.612 -3.256 1.00 25.00 O ATOM 303 CB ASN A 21 22.184 2.948 -1.593 1.00 25.00 C ATOM 304 CG ASN A 21 22.845 3.983 -2.489 1.00 25.00 C ATOM 305 OD1 ASN A 21 22.884 3.886 -3.677 1.00 25.00 O ATOM 306 ND2 ASN A 21 23.348 5.080 -1.941 1.00 25.00 N ATOM 307 OXT ASN A 21 20.443 0.691 -4.037 1.00 25.00 O ATOM 0 H ASN A 21 20.333 1.581 -0.383 1.00 25.00 H new ATOM 0 HA ASN A 21 20.524 3.033 -2.899 1.00 25.00 H new ATOM 0 HB2 ASN A 21 21.843 3.428 -0.676 1.00 25.00 H new ATOM 0 HB3 ASN A 21 22.919 2.196 -1.305 1.00 25.00 H new ATOM 0 HD21 ASN A 21 23.751 5.807 -2.532 1.00 25.00 H new ATOM 0 HD22 ASN A 21 23.332 5.197 -0.928 1.00 25.00 H new TER 315 ASN A 21 ATOM 316 N PHE B 31 20.945 -15.357 -3.262 1.00 25.00 N ATOM 317 CA PHE B 31 19.563 -14.897 -2.957 1.00 25.00 C ATOM 318 C PHE B 31 18.431 -15.839 -3.415 1.00 25.00 C ATOM 319 O PHE B 31 18.485 -16.574 -4.408 1.00 25.00 O ATOM 320 CB PHE B 31 19.342 -13.525 -3.565 1.00 25.00 C ATOM 321 CG PHE B 31 18.101 -12.803 -3.086 1.00 25.00 C ATOM 322 CD1 PHE B 31 18.039 -12.287 -1.788 1.00 25.00 C ATOM 323 CD2 PHE B 31 17.013 -12.612 -3.938 1.00 25.00 C ATOM 324 CE1 PHE B 31 16.902 -11.623 -1.323 1.00 25.00 C ATOM 325 CE2 PHE B 31 15.849 -11.961 -3.455 1.00 25.00 C ATOM 326 CZ PHE B 31 15.768 -11.473 -2.120 1.00 25.00 C ATOM 0 HA PHE B 31 19.504 -14.878 -1.869 1.00 25.00 H new ATOM 0 HB2 PHE B 31 20.211 -12.904 -3.348 1.00 25.00 H new ATOM 0 HB3 PHE B 31 19.287 -13.629 -4.649 1.00 25.00 H new ATOM 0 HD1 PHE B 31 18.888 -12.404 -1.131 1.00 25.00 H new ATOM 0 HD2 PHE B 31 17.057 -12.958 -4.960 1.00 25.00 H new ATOM 0 HE1 PHE B 31 16.901 -11.216 -0.323 1.00 25.00 H new ATOM 0 HE2 PHE B 31 15.004 -11.832 -4.116 1.00 25.00 H new ATOM 0 HZ PHE B 31 14.869 -11.008 -1.742 1.00 25.00 H new ATOM 337 N VAL B 32 17.257 -15.728 -2.687 1.00 25.00 N ATOM 338 CA VAL B 32 16.031 -16.443 -3.076 1.00 25.00 C ATOM 339 C VAL B 32 14.885 -15.454 -3.346 1.00 25.00 C ATOM 340 O VAL B 32 14.479 -14.711 -2.480 1.00 25.00 O ATOM 341 CB VAL B 32 15.700 -17.521 -2.019 1.00 25.00 C ATOM 342 CG1 VAL B 32 15.780 -16.932 -0.573 1.00 25.00 C ATOM 343 CG2 VAL B 32 14.325 -18.139 -2.295 1.00 25.00 C ATOM 0 H VAL B 32 17.161 -15.156 -1.848 1.00 25.00 H new ATOM 0 HA VAL B 32 16.185 -16.969 -4.018 1.00 25.00 H new ATOM 0 HB VAL B 32 16.446 -18.313 -2.091 1.00 25.00 H new ATOM 0 HG11 VAL B 32 15.543 -17.711 0.151 1.00 25.00 H new ATOM 0 HG12 VAL B 32 16.787 -16.559 -0.387 1.00 25.00 H new ATOM 0 HG13 VAL B 32 15.066 -16.114 -0.473 1.00 25.00 H new ATOM 0 HG21 VAL B 32 14.108 -18.896 -1.541 1.00 25.00 H new ATOM 0 HG22 VAL B 32 13.562 -17.361 -2.258 1.00 25.00 H new ATOM 0 HG23 VAL B 32 14.325 -18.600 -3.283 1.00 25.00 H new ATOM 353 N ASN B 33 14.458 -15.392 -4.578 1.00 25.00 N ATOM 354 CA ASN B 33 13.375 -14.485 -4.990 1.00 25.00 C ATOM 355 C ASN B 33 12.027 -15.208 -4.682 1.00 25.00 C ATOM 356 O ASN B 33 11.819 -16.327 -5.061 1.00 25.00 O ATOM 357 CB ASN B 33 13.492 -14.171 -6.530 1.00 25.00 C ATOM 358 CG ASN B 33 14.558 -13.113 -6.856 1.00 25.00 C ATOM 359 OD1 ASN B 33 14.312 -11.945 -6.732 1.00 25.00 O ATOM 360 ND2 ASN B 33 15.685 -13.535 -7.357 1.00 25.00 N ATOM 0 H ASN B 33 14.837 -15.959 -5.336 1.00 25.00 H new ATOM 0 HA ASN B 33 13.433 -13.538 -4.453 1.00 25.00 H new ATOM 0 HB2 ASN B 33 13.728 -15.091 -7.064 1.00 25.00 H new ATOM 0 HB3 ASN B 33 12.525 -13.828 -6.898 1.00 25.00 H new ATOM 0 HD21 ASN B 33 16.392 -12.864 -7.659 1.00 25.00 H new ATOM 0 HD22 ASN B 33 15.860 -14.536 -7.447 1.00 25.00 H new ATOM 367 N GLN B 34 11.119 -14.570 -3.942 1.00 25.00 N ATOM 368 CA GLN B 34 9.886 -15.232 -3.506 1.00 25.00 C ATOM 369 C GLN B 34 8.939 -14.139 -3.060 1.00 25.00 C ATOM 370 O GLN B 34 9.368 -12.984 -2.880 1.00 25.00 O ATOM 371 CB GLN B 34 10.177 -16.123 -2.288 1.00 25.00 C ATOM 372 CG GLN B 34 10.871 -15.423 -1.180 1.00 25.00 C ATOM 373 CD GLN B 34 10.838 -16.279 0.064 1.00 25.00 C ATOM 374 OE1 GLN B 34 11.625 -17.193 0.215 1.00 25.00 O ATOM 375 NE2 GLN B 34 9.892 -16.020 0.933 1.00 25.00 N ATOM 0 H GLN B 34 11.212 -13.602 -3.633 1.00 25.00 H new ATOM 0 HA GLN B 34 9.473 -15.838 -4.312 1.00 25.00 H new ATOM 0 HB2 GLN B 34 9.237 -16.529 -1.915 1.00 25.00 H new ATOM 0 HB3 GLN B 34 10.785 -16.969 -2.607 1.00 25.00 H new ATOM 0 HG2 GLN B 34 11.903 -15.212 -1.460 1.00 25.00 H new ATOM 0 HG3 GLN B 34 10.391 -14.464 -0.986 1.00 25.00 H new ATOM 0 HE21 GLN B 34 9.250 -15.244 0.772 1.00 25.00 H new ATOM 0 HE22 GLN B 34 9.798 -16.594 1.771 1.00 25.00 H new ATOM 384 N HIS B 35 7.657 -14.477 -2.831 1.00 25.00 N ATOM 385 CA HIS B 35 6.664 -13.491 -2.329 1.00 25.00 C ATOM 386 C HIS B 35 7.118 -13.136 -0.910 1.00 25.00 C ATOM 387 O HIS B 35 7.623 -14.016 -0.161 1.00 25.00 O ATOM 388 CB HIS B 35 5.267 -14.104 -2.282 1.00 25.00 C ATOM 389 CG HIS B 35 4.657 -14.362 -3.620 1.00 25.00 C ATOM 390 ND1 HIS B 35 4.175 -13.351 -4.434 1.00 25.00 N ATOM 391 CD2 HIS B 35 4.426 -15.510 -4.318 1.00 25.00 C ATOM 392 CE1 HIS B 35 3.677 -13.887 -5.549 1.00 25.00 C ATOM 393 NE2 HIS B 35 3.807 -15.178 -5.494 1.00 25.00 N ATOM 0 H HIS B 35 7.281 -15.413 -2.981 1.00 25.00 H new ATOM 0 HA HIS B 35 6.613 -12.617 -2.979 1.00 25.00 H new ATOM 0 HB2 HIS B 35 5.315 -15.044 -1.732 1.00 25.00 H new ATOM 0 HB3 HIS B 35 4.611 -13.439 -1.720 1.00 25.00 H new ATOM 0 HD1 HIS B 35 4.197 -12.355 -4.216 1.00 25.00 H new ATOM 0 HD2 HIS B 35 4.686 -16.508 -3.999 1.00 25.00 H new ATOM 0 HE1 HIS B 35 3.236 -13.336 -6.367 1.00 25.00 H new ATOM 402 N LEU B 36 6.915 -11.886 -0.504 1.00 25.00 N ATOM 403 CA LEU B 36 7.371 -11.397 0.812 1.00 25.00 C ATOM 404 C LEU B 36 6.263 -10.599 1.433 1.00 25.00 C ATOM 405 O LEU B 36 5.876 -9.583 0.867 1.00 25.00 O ATOM 406 CB LEU B 36 8.613 -10.537 0.660 1.00 25.00 C ATOM 407 CG LEU B 36 9.930 -11.267 0.321 1.00 25.00 C ATOM 408 CD1 LEU B 36 11.065 -10.292 -0.058 1.00 25.00 C ATOM 409 CD2 LEU B 36 10.343 -12.072 1.522 1.00 25.00 C ATOM 0 H LEU B 36 6.435 -11.182 -1.065 1.00 25.00 H new ATOM 0 HA LEU B 36 7.624 -12.244 1.450 1.00 25.00 H new ATOM 0 HB2 LEU B 36 8.422 -9.801 -0.121 1.00 25.00 H new ATOM 0 HB3 LEU B 36 8.760 -9.986 1.589 1.00 25.00 H new ATOM 0 HG LEU B 36 9.754 -11.905 -0.545 1.00 25.00 H new ATOM 0 HD11 LEU B 36 11.969 -10.857 -0.287 1.00 25.00 H new ATOM 0 HD12 LEU B 36 10.769 -9.711 -0.931 1.00 25.00 H new ATOM 0 HD13 LEU B 36 11.260 -9.619 0.777 1.00 25.00 H new ATOM 0 HD21 LEU B 36 11.273 -12.598 1.305 1.00 25.00 H new ATOM 0 HD22 LEU B 36 10.492 -11.407 2.372 1.00 25.00 H new ATOM 0 HD23 LEU B 36 9.564 -12.796 1.760 1.00 25.00 H new ATOM 421 N CYS B 37 5.824 -10.999 2.600 1.00 25.00 N ATOM 422 CA CYS B 37 4.700 -10.339 3.259 1.00 25.00 C ATOM 423 C CYS B 37 4.809 -10.676 4.743 1.00 25.00 C ATOM 424 O CYS B 37 5.620 -11.542 5.095 1.00 25.00 O ATOM 425 CB CYS B 37 3.392 -10.885 2.699 1.00 25.00 C ATOM 426 SG CYS B 37 1.986 -9.756 2.900 1.00 25.00 S ATOM 0 H CYS B 37 6.222 -11.779 3.123 1.00 25.00 H new ATOM 0 HA CYS B 37 4.718 -9.261 3.098 1.00 25.00 H new ATOM 0 HB2 CYS B 37 3.523 -11.103 1.639 1.00 25.00 H new ATOM 0 HB3 CYS B 37 3.162 -11.829 3.192 1.00 25.00 H new ATOM 431 N GLY B 38 4.072 -9.967 5.601 1.00 25.00 N ATOM 432 CA GLY B 38 4.086 -10.225 7.036 1.00 25.00 C ATOM 433 C GLY B 38 5.462 -10.278 7.713 1.00 25.00 C ATOM 434 O GLY B 38 5.961 -11.407 7.954 1.00 25.00 O ATOM 0 H GLY B 38 3.455 -9.205 5.320 1.00 25.00 H new ATOM 0 HA2 GLY B 38 3.495 -9.452 7.527 1.00 25.00 H new ATOM 0 HA3 GLY B 38 3.581 -11.174 7.216 1.00 25.00 H new ATOM 438 N SER B 39 6.069 -9.117 8.019 1.00 25.00 N ATOM 439 CA SER B 39 7.431 -9.049 8.607 1.00 25.00 C ATOM 440 C SER B 39 8.587 -9.657 7.779 1.00 25.00 C ATOM 441 O SER B 39 9.668 -9.100 7.777 1.00 25.00 O ATOM 442 CB SER B 39 7.428 -9.655 10.024 1.00 25.00 C ATOM 443 OG SER B 39 6.376 -9.084 10.785 1.00 25.00 O ATOM 0 H SER B 39 5.639 -8.204 7.870 1.00 25.00 H new ATOM 0 HA SER B 39 7.651 -7.982 8.622 1.00 25.00 H new ATOM 0 HB2 SER B 39 7.304 -10.736 9.967 1.00 25.00 H new ATOM 0 HB3 SER B 39 8.385 -9.469 10.512 1.00 25.00 H new ATOM 0 HG SER B 39 6.375 -9.472 11.685 1.00 25.00 H new ATOM 449 N HIS B 40 8.371 -10.708 7.003 1.00 25.00 N ATOM 450 CA HIS B 40 9.436 -11.268 6.200 1.00 25.00 C ATOM 451 C HIS B 40 9.955 -10.307 5.225 1.00 25.00 C ATOM 452 O HIS B 40 11.173 -10.321 4.997 1.00 25.00 O ATOM 453 CB HIS B 40 8.987 -12.571 5.514 1.00 25.00 C ATOM 454 CG HIS B 40 9.459 -13.822 6.218 1.00 25.00 C ATOM 455 ND1 HIS B 40 10.683 -14.440 5.937 1.00 25.00 N ATOM 456 CD2 HIS B 40 8.925 -14.586 7.217 1.00 25.00 C ATOM 457 CE1 HIS B 40 10.833 -15.474 6.746 1.00 25.00 C ATOM 458 NE2 HIS B 40 9.794 -15.566 7.535 1.00 25.00 N ATOM 0 H HIS B 40 7.473 -11.184 6.915 1.00 25.00 H new ATOM 0 HA HIS B 40 10.256 -11.508 6.877 1.00 25.00 H new ATOM 0 HB2 HIS B 40 7.899 -12.585 5.458 1.00 25.00 H new ATOM 0 HB3 HIS B 40 9.359 -12.579 4.490 1.00 25.00 H new ATOM 0 HD2 HIS B 40 7.961 -14.430 7.678 1.00 25.00 H new ATOM 0 HE1 HIS B 40 11.683 -16.141 6.754 1.00 25.00 H new ATOM 0 HE2 HIS B 40 9.663 -16.263 8.268 1.00 25.00 H new ATOM 467 N LEU B 41 9.131 -9.419 4.699 1.00 25.00 N ATOM 468 CA LEU B 41 9.640 -8.433 3.747 1.00 25.00 C ATOM 469 C LEU B 41 10.658 -7.507 4.383 1.00 25.00 C ATOM 470 O LEU B 41 11.697 -7.214 3.775 1.00 25.00 O ATOM 471 CB LEU B 41 8.489 -7.581 3.259 1.00 25.00 C ATOM 472 CG LEU B 41 8.838 -6.484 2.239 1.00 25.00 C ATOM 473 CD1 LEU B 41 9.414 -7.013 0.952 1.00 25.00 C ATOM 474 CD2 LEU B 41 7.572 -5.702 1.987 1.00 25.00 C ATOM 0 H LEU B 41 8.134 -9.354 4.903 1.00 25.00 H new ATOM 0 HA LEU B 41 10.117 -8.977 2.932 1.00 25.00 H new ATOM 0 HB2 LEU B 41 7.742 -8.238 2.813 1.00 25.00 H new ATOM 0 HB3 LEU B 41 8.022 -7.109 4.123 1.00 25.00 H new ATOM 0 HG LEU B 41 9.626 -5.854 2.652 1.00 25.00 H new ATOM 0 HD11 LEU B 41 9.635 -6.181 0.283 1.00 25.00 H new ATOM 0 HD12 LEU B 41 10.331 -7.563 1.163 1.00 25.00 H new ATOM 0 HD13 LEU B 41 8.693 -7.679 0.477 1.00 25.00 H new ATOM 0 HD21 LEU B 41 7.772 -4.909 1.266 1.00 25.00 H new ATOM 0 HD22 LEU B 41 6.806 -6.368 1.591 1.00 25.00 H new ATOM 0 HD23 LEU B 41 7.223 -5.263 2.922 1.00 25.00 H new ATOM 486 N VAL B 42 10.363 -7.040 5.568 1.00 25.00 N ATOM 487 CA VAL B 42 11.224 -6.041 6.181 1.00 25.00 C ATOM 488 C VAL B 42 12.528 -6.715 6.506 1.00 25.00 C ATOM 489 O VAL B 42 13.581 -6.145 6.346 1.00 25.00 O ATOM 490 CB VAL B 42 10.541 -5.471 7.500 1.00 25.00 C ATOM 491 CG1 VAL B 42 11.462 -4.403 8.104 1.00 25.00 C ATOM 492 CG2 VAL B 42 9.128 -4.898 7.194 1.00 25.00 C ATOM 0 H VAL B 42 9.555 -7.321 6.124 1.00 25.00 H new ATOM 0 HA VAL B 42 11.390 -5.201 5.507 1.00 25.00 H new ATOM 0 HB VAL B 42 10.403 -6.277 8.221 1.00 25.00 H new ATOM 0 HG11 VAL B 42 11.008 -4.001 9.010 1.00 25.00 H new ATOM 0 HG12 VAL B 42 12.426 -4.850 8.348 1.00 25.00 H new ATOM 0 HG13 VAL B 42 11.607 -3.598 7.383 1.00 25.00 H new ATOM 0 HG21 VAL B 42 8.684 -4.515 8.113 1.00 25.00 H new ATOM 0 HG22 VAL B 42 9.213 -4.090 6.468 1.00 25.00 H new ATOM 0 HG23 VAL B 42 8.496 -5.687 6.787 1.00 25.00 H new ATOM 502 N GLU B 43 12.426 -7.954 7.003 1.00 25.00 N ATOM 503 CA GLU B 43 13.607 -8.696 7.482 1.00 25.00 C ATOM 504 C GLU B 43 14.524 -9.022 6.267 1.00 25.00 C ATOM 505 O GLU B 43 15.731 -8.882 6.382 1.00 25.00 O ATOM 506 CB GLU B 43 13.201 -9.980 8.179 1.00 25.00 C ATOM 507 CG GLU B 43 14.345 -10.665 8.937 1.00 25.00 C ATOM 508 CD GLU B 43 14.928 -9.805 10.008 1.00 25.00 C ATOM 509 OE1 GLU B 43 14.275 -9.137 10.734 1.00 25.00 O ATOM 510 OE2 GLU B 43 16.227 -9.802 10.060 1.00 25.00 O ATOM 0 H GLU B 43 11.546 -8.464 7.085 1.00 25.00 H new ATOM 0 HA GLU B 43 14.143 -8.078 8.203 1.00 25.00 H new ATOM 0 HB2 GLU B 43 12.394 -9.762 8.879 1.00 25.00 H new ATOM 0 HB3 GLU B 43 12.803 -10.673 7.438 1.00 25.00 H new ATOM 0 HG2 GLU B 43 13.977 -11.590 9.381 1.00 25.00 H new ATOM 0 HG3 GLU B 43 15.129 -10.939 8.231 1.00 25.00 H new ATOM 518 N ALA B 44 13.954 -9.413 5.162 1.00 25.00 N ATOM 519 CA ALA B 44 14.716 -9.704 3.968 1.00 25.00 C ATOM 520 C ALA B 44 15.405 -8.427 3.459 1.00 25.00 C ATOM 521 O ALA B 44 16.552 -8.483 3.017 1.00 25.00 O ATOM 522 CB ALA B 44 13.797 -10.284 2.907 1.00 25.00 C ATOM 0 H ALA B 44 12.947 -9.541 5.058 1.00 25.00 H new ATOM 0 HA ALA B 44 15.488 -10.438 4.198 1.00 25.00 H new ATOM 0 HB1 ALA B 44 14.372 -10.503 2.007 1.00 25.00 H new ATOM 0 HB2 ALA B 44 13.344 -11.202 3.281 1.00 25.00 H new ATOM 0 HB3 ALA B 44 13.014 -9.563 2.670 1.00 25.00 H new ATOM 528 N LEU B 45 14.703 -7.290 3.524 1.00 25.00 N ATOM 529 CA LEU B 45 15.228 -5.993 3.128 1.00 25.00 C ATOM 530 C LEU B 45 16.353 -5.577 4.061 1.00 25.00 C ATOM 531 O LEU B 45 17.300 -4.967 3.643 1.00 25.00 O ATOM 532 CB LEU B 45 14.086 -4.953 3.087 1.00 25.00 C ATOM 533 CG LEU B 45 14.374 -3.621 2.348 1.00 25.00 C ATOM 534 CD1 LEU B 45 14.334 -3.738 0.783 1.00 25.00 C ATOM 535 CD2 LEU B 45 13.306 -2.547 2.772 1.00 25.00 C ATOM 0 H LEU B 45 13.740 -7.252 3.859 1.00 25.00 H new ATOM 0 HA LEU B 45 15.648 -6.057 2.124 1.00 25.00 H new ATOM 0 HB2 LEU B 45 13.219 -5.420 2.619 1.00 25.00 H new ATOM 0 HB3 LEU B 45 13.805 -4.717 4.114 1.00 25.00 H new ATOM 0 HG LEU B 45 15.387 -3.336 2.633 1.00 25.00 H new ATOM 0 HD11 LEU B 45 14.545 -2.765 0.340 1.00 25.00 H new ATOM 0 HD12 LEU B 45 15.083 -4.457 0.453 1.00 25.00 H new ATOM 0 HD13 LEU B 45 13.346 -4.073 0.468 1.00 25.00 H new ATOM 0 HD21 LEU B 45 13.507 -1.610 2.253 1.00 25.00 H new ATOM 0 HD22 LEU B 45 12.309 -2.901 2.508 1.00 25.00 H new ATOM 0 HD23 LEU B 45 13.361 -2.385 3.849 1.00 25.00 H new ATOM 547 N TYR B 46 16.262 -5.888 5.357 1.00 25.00 N ATOM 548 CA TYR B 46 17.290 -5.479 6.329 1.00 25.00 C ATOM 549 C TYR B 46 18.582 -6.258 6.059 1.00 25.00 C ATOM 550 O TYR B 46 19.668 -5.706 6.107 1.00 25.00 O ATOM 551 CB TYR B 46 16.724 -5.801 7.764 1.00 25.00 C ATOM 552 CG TYR B 46 17.705 -5.430 8.860 1.00 25.00 C ATOM 553 CD1 TYR B 46 17.734 -4.146 9.428 1.00 25.00 C ATOM 554 CD2 TYR B 46 18.637 -6.370 9.336 1.00 25.00 C ATOM 555 CE1 TYR B 46 18.649 -3.809 10.433 1.00 25.00 C ATOM 556 CE2 TYR B 46 19.614 -6.022 10.300 1.00 25.00 C ATOM 557 CZ TYR B 46 19.597 -4.756 10.845 1.00 25.00 C ATOM 558 OH TYR B 46 20.577 -4.436 11.761 1.00 25.00 O ATOM 0 H TYR B 46 15.491 -6.420 5.760 1.00 25.00 H new ATOM 0 HA TYR B 46 17.520 -4.417 6.249 1.00 25.00 H new ATOM 0 HB2 TYR B 46 15.790 -5.259 7.915 1.00 25.00 H new ATOM 0 HB3 TYR B 46 16.491 -6.864 7.831 1.00 25.00 H new ATOM 0 HD1 TYR B 46 17.034 -3.400 9.081 1.00 25.00 H new ATOM 0 HD2 TYR B 46 18.607 -7.381 8.957 1.00 25.00 H new ATOM 0 HE1 TYR B 46 18.625 -2.829 10.886 1.00 25.00 H new ATOM 0 HE2 TYR B 46 20.362 -6.739 10.604 1.00 25.00 H new ATOM 0 HH TYR B 46 21.141 -5.221 11.924 1.00 25.00 H new ATOM 568 N LEU B 47 18.412 -7.564 5.817 1.00 25.00 N ATOM 569 CA LEU B 47 19.540 -8.440 5.618 1.00 25.00 C ATOM 570 C LEU B 47 20.286 -8.156 4.308 1.00 25.00 C ATOM 571 O LEU B 47 21.519 -8.166 4.317 1.00 25.00 O ATOM 572 CB LEU B 47 19.020 -9.883 5.534 1.00 25.00 C ATOM 573 CG LEU B 47 18.519 -10.444 6.880 1.00 25.00 C ATOM 574 CD1 LEU B 47 17.811 -11.797 6.615 1.00 25.00 C ATOM 575 CD2 LEU B 47 19.639 -10.633 7.911 1.00 25.00 C ATOM 0 H LEU B 47 17.503 -8.022 5.757 1.00 25.00 H new ATOM 0 HA LEU B 47 20.225 -8.281 6.451 1.00 25.00 H new ATOM 0 HB2 LEU B 47 18.207 -9.925 4.809 1.00 25.00 H new ATOM 0 HB3 LEU B 47 19.816 -10.525 5.158 1.00 25.00 H new ATOM 0 HG LEU B 47 17.830 -9.716 7.308 1.00 25.00 H new ATOM 0 HD11 LEU B 47 17.450 -12.209 7.557 1.00 25.00 H new ATOM 0 HD12 LEU B 47 16.969 -11.641 5.940 1.00 25.00 H new ATOM 0 HD13 LEU B 47 18.516 -12.494 6.161 1.00 25.00 H new ATOM 0 HD21 LEU B 47 19.219 -11.030 8.835 1.00 25.00 H new ATOM 0 HD22 LEU B 47 20.380 -11.330 7.520 1.00 25.00 H new ATOM 0 HD23 LEU B 47 20.115 -9.673 8.112 1.00 25.00 H new ATOM 587 N VAL B 48 19.575 -7.861 3.231 1.00 25.00 N ATOM 588 CA VAL B 48 20.230 -7.521 1.945 1.00 25.00 C ATOM 589 C VAL B 48 20.750 -6.077 1.847 1.00 25.00 C ATOM 590 O VAL B 48 21.663 -5.838 1.056 1.00 25.00 O ATOM 591 CB VAL B 48 19.271 -7.783 0.717 1.00 25.00 C ATOM 592 CG1 VAL B 48 18.122 -6.763 0.623 1.00 25.00 C ATOM 593 CG2 VAL B 48 20.036 -7.864 -0.617 1.00 25.00 C ATOM 0 H VAL B 48 18.555 -7.846 3.205 1.00 25.00 H new ATOM 0 HA VAL B 48 21.095 -8.183 1.913 1.00 25.00 H new ATOM 0 HB VAL B 48 18.822 -8.758 0.906 1.00 25.00 H new ATOM 0 HG11 VAL B 48 17.498 -6.996 -0.240 1.00 25.00 H new ATOM 0 HG12 VAL B 48 17.519 -6.810 1.530 1.00 25.00 H new ATOM 0 HG13 VAL B 48 18.534 -5.760 0.513 1.00 25.00 H new ATOM 0 HG21 VAL B 48 19.332 -8.045 -1.430 1.00 25.00 H new ATOM 0 HG22 VAL B 48 20.560 -6.925 -0.793 1.00 25.00 H new ATOM 0 HG23 VAL B 48 20.758 -8.680 -0.574 1.00 25.00 H new ATOM 603 N CYS B 49 20.164 -5.165 2.585 1.00 25.00 N ATOM 604 CA CYS B 49 20.626 -3.795 2.527 1.00 25.00 C ATOM 605 C CYS B 49 21.695 -3.446 3.581 1.00 25.00 C ATOM 606 O CYS B 49 22.514 -2.533 3.361 1.00 25.00 O ATOM 607 CB CYS B 49 19.460 -2.798 2.662 1.00 25.00 C ATOM 608 SG CYS B 49 18.333 -2.926 1.247 1.00 25.00 S ATOM 0 H CYS B 49 19.384 -5.337 3.219 1.00 25.00 H new ATOM 0 HA CYS B 49 21.089 -3.707 1.544 1.00 25.00 H new ATOM 0 HB2 CYS B 49 18.915 -2.993 3.585 1.00 25.00 H new ATOM 0 HB3 CYS B 49 19.850 -1.783 2.731 1.00 25.00 H new ATOM 613 N GLY B 50 21.702 -4.172 4.724 1.00 25.00 N ATOM 614 CA GLY B 50 22.733 -3.951 5.745 1.00 25.00 C ATOM 615 C GLY B 50 22.525 -2.656 6.530 1.00 25.00 C ATOM 616 O GLY B 50 23.438 -1.957 6.972 1.00 25.00 O ATOM 0 H GLY B 50 21.021 -4.896 4.952 1.00 25.00 H new ATOM 0 HA2 GLY B 50 22.738 -4.793 6.437 1.00 25.00 H new ATOM 0 HA3 GLY B 50 23.712 -3.926 5.266 1.00 25.00 H new ATOM 620 N GLU B 51 21.272 -2.305 6.628 1.00 25.00 N ATOM 621 CA GLU B 51 20.873 -1.051 7.199 1.00 25.00 C ATOM 622 C GLU B 51 21.030 -1.085 8.689 1.00 25.00 C ATOM 623 O GLU B 51 21.242 -2.116 9.277 1.00 25.00 O ATOM 624 CB GLU B 51 19.420 -0.775 6.799 1.00 25.00 C ATOM 625 CG GLU B 51 19.185 0.455 5.906 1.00 25.00 C ATOM 626 CD GLU B 51 19.208 1.727 6.689 1.00 25.00 C ATOM 627 OE1 GLU B 51 19.350 1.761 7.899 1.00 25.00 O ATOM 628 OE2 GLU B 51 19.052 2.756 6.001 1.00 25.00 O ATOM 0 H GLU B 51 20.495 -2.886 6.312 1.00 25.00 H new ATOM 0 HA GLU B 51 21.507 -0.248 6.823 1.00 25.00 H new ATOM 0 HB2 GLU B 51 19.034 -1.653 6.281 1.00 25.00 H new ATOM 0 HB3 GLU B 51 18.831 -0.656 7.708 1.00 25.00 H new ATOM 0 HG2 GLU B 51 19.951 0.492 5.131 1.00 25.00 H new ATOM 0 HG3 GLU B 51 18.224 0.358 5.400 1.00 25.00 H new ATOM 636 N GLN B 52 20.983 0.092 9.310 1.00 25.00 N ATOM 637 CA GLN B 52 21.062 0.182 10.784 1.00 25.00 C ATOM 638 C GLN B 52 19.684 -0.306 11.256 1.00 25.00 C ATOM 639 O GLN B 52 19.578 -0.947 12.279 1.00 25.00 O ATOM 640 CB GLN B 52 21.265 1.657 11.216 1.00 25.00 C ATOM 641 CG GLN B 52 22.604 2.264 10.833 1.00 25.00 C ATOM 642 CD GLN B 52 22.791 3.678 11.446 1.00 25.00 C ATOM 643 OE1 GLN B 52 22.639 3.892 12.623 1.00 25.00 O ATOM 644 NE2 GLN B 52 23.083 4.636 10.625 1.00 25.00 N ATOM 0 H GLN B 52 20.892 0.989 8.833 1.00 25.00 H new ATOM 0 HA GLN B 52 21.888 -0.396 11.198 1.00 25.00 H new ATOM 0 HB2 GLN B 52 20.471 2.260 10.776 1.00 25.00 H new ATOM 0 HB3 GLN B 52 21.151 1.721 12.298 1.00 25.00 H new ATOM 0 HG2 GLN B 52 23.409 1.612 11.171 1.00 25.00 H new ATOM 0 HG3 GLN B 52 22.678 2.326 9.747 1.00 25.00 H new ATOM 0 HE21 GLN B 52 23.208 4.437 9.633 1.00 25.00 H new ATOM 0 HE22 GLN B 52 23.188 5.590 10.971 1.00 25.00 H new ATOM 653 N GLY B 53 18.650 0.040 10.495 1.00 25.00 N ATOM 654 CA GLY B 53 17.297 -0.287 10.842 1.00 25.00 C ATOM 655 C GLY B 53 16.383 0.699 10.160 1.00 25.00 C ATOM 656 O GLY B 53 16.795 1.819 9.925 1.00 25.00 O ATOM 0 H GLY B 53 18.742 0.556 9.620 1.00 25.00 H new ATOM 0 HA2 GLY B 53 17.060 -1.304 10.529 1.00 25.00 H new ATOM 0 HA3 GLY B 53 17.161 -0.246 11.923 1.00 25.00 H new ATOM 660 N PHE B 54 15.156 0.274 9.839 1.00 25.00 N ATOM 661 CA PHE B 54 14.201 1.166 9.193 1.00 25.00 C ATOM 662 C PHE B 54 13.294 1.863 10.206 1.00 25.00 C ATOM 663 O PHE B 54 13.036 3.043 10.134 1.00 25.00 O ATOM 664 CB PHE B 54 13.318 0.360 8.222 1.00 25.00 C ATOM 665 CG PHE B 54 14.094 -0.513 7.270 1.00 25.00 C ATOM 666 CD1 PHE B 54 14.825 0.078 6.214 1.00 25.00 C ATOM 667 CD2 PHE B 54 14.097 -1.916 7.417 1.00 25.00 C ATOM 668 CE1 PHE B 54 15.571 -0.719 5.328 1.00 25.00 C ATOM 669 CE2 PHE B 54 14.827 -2.749 6.537 1.00 25.00 C ATOM 670 CZ PHE B 54 15.596 -2.148 5.483 1.00 25.00 C ATOM 0 H PHE B 54 14.809 -0.669 10.015 1.00 25.00 H new ATOM 0 HA PHE B 54 14.774 1.926 8.661 1.00 25.00 H new ATOM 0 HB2 PHE B 54 12.637 -0.265 8.800 1.00 25.00 H new ATOM 0 HB3 PHE B 54 12.704 1.052 7.646 1.00 25.00 H new ATOM 0 HD1 PHE B 54 14.810 1.150 6.087 1.00 25.00 H new ATOM 0 HD2 PHE B 54 13.529 -2.364 8.219 1.00 25.00 H new ATOM 0 HE1 PHE B 54 16.128 -0.255 4.527 1.00 25.00 H new ATOM 0 HE2 PHE B 54 14.806 -3.822 6.656 1.00 25.00 H new ATOM 0 HZ PHE B 54 16.185 -2.761 4.816 1.00 25.00 H new ATOM 680 N PHE B 55 12.753 1.120 11.170 1.00 25.00 N ATOM 681 CA PHE B 55 11.890 1.716 12.160 1.00 25.00 C ATOM 682 C PHE B 55 12.007 1.042 13.520 1.00 25.00 C ATOM 683 O PHE B 55 11.581 -0.097 13.664 1.00 25.00 O ATOM 684 CB PHE B 55 10.464 1.614 11.659 1.00 25.00 C ATOM 685 CG PHE B 55 9.426 2.187 12.622 1.00 25.00 C ATOM 686 CD1 PHE B 55 9.187 3.590 12.681 1.00 25.00 C ATOM 687 CD2 PHE B 55 8.696 1.340 13.486 1.00 25.00 C ATOM 688 CE1 PHE B 55 8.192 4.094 13.567 1.00 25.00 C ATOM 689 CE2 PHE B 55 7.709 1.832 14.341 1.00 25.00 C ATOM 690 CZ PHE B 55 7.466 3.197 14.373 1.00 25.00 C ATOM 0 H PHE B 55 12.901 0.117 11.277 1.00 25.00 H new ATOM 0 HA PHE B 55 12.189 2.755 12.299 1.00 25.00 H new ATOM 0 HB2 PHE B 55 10.387 2.135 10.705 1.00 25.00 H new ATOM 0 HB3 PHE B 55 10.230 0.566 11.470 1.00 25.00 H new ATOM 0 HD1 PHE B 55 9.755 4.266 12.059 1.00 25.00 H new ATOM 0 HD2 PHE B 55 8.908 0.281 13.485 1.00 25.00 H new ATOM 0 HE1 PHE B 55 7.996 5.155 13.620 1.00 25.00 H new ATOM 0 HE2 PHE B 55 7.143 1.160 14.969 1.00 25.00 H new ATOM 0 HZ PHE B 55 6.701 3.581 15.032 1.00 25.00 H new ATOM 700 N TYR B 56 12.624 1.744 14.450 1.00 25.00 N ATOM 701 CA TYR B 56 12.858 1.338 15.838 1.00 25.00 C ATOM 702 C TYR B 56 13.681 0.036 16.051 1.00 25.00 C ATOM 703 O TYR B 56 13.501 -0.977 15.356 1.00 25.00 O ATOM 704 CB TYR B 56 11.516 1.223 16.535 1.00 25.00 C ATOM 705 CG TYR B 56 11.683 1.069 18.008 1.00 25.00 C ATOM 706 CD1 TYR B 56 12.067 2.169 18.801 1.00 25.00 C ATOM 707 CD2 TYR B 56 11.489 -0.156 18.614 1.00 25.00 C ATOM 708 CE1 TYR B 56 12.296 2.026 20.181 1.00 25.00 C ATOM 709 CE2 TYR B 56 11.681 -0.286 20.052 1.00 25.00 C ATOM 710 CZ TYR B 56 12.069 0.817 20.793 1.00 25.00 C ATOM 711 OH TYR B 56 12.201 0.762 22.134 1.00 25.00 O ATOM 0 H TYR B 56 13.002 2.671 14.253 1.00 25.00 H new ATOM 0 HA TYR B 56 13.489 2.116 16.267 1.00 25.00 H new ATOM 0 HB2 TYR B 56 10.918 2.110 16.325 1.00 25.00 H new ATOM 0 HB3 TYR B 56 10.969 0.368 16.137 1.00 25.00 H new ATOM 0 HD1 TYR B 56 12.187 3.139 18.341 1.00 25.00 H new ATOM 0 HD2 TYR B 56 11.197 -1.013 18.025 1.00 25.00 H new ATOM 0 HE1 TYR B 56 12.650 2.866 20.760 1.00 25.00 H new ATOM 0 HE2 TYR B 56 11.522 -1.238 20.537 1.00 25.00 H new ATOM 0 HH TYR B 56 12.013 -0.148 22.444 1.00 25.00 H new ATOM 721 N THR B 57 14.566 0.060 17.041 1.00 25.00 N ATOM 722 CA THR B 57 15.407 -1.114 17.338 1.00 25.00 C ATOM 723 C THR B 57 15.125 -1.684 18.699 1.00 25.00 C ATOM 724 O THR B 57 15.628 -1.204 19.720 1.00 25.00 O ATOM 725 CB THR B 57 16.908 -0.836 17.249 1.00 25.00 C ATOM 726 OG1 THR B 57 17.163 0.541 17.581 1.00 25.00 O ATOM 727 CG2 THR B 57 17.416 -1.065 15.821 1.00 25.00 C ATOM 0 H THR B 57 14.725 0.863 17.649 1.00 25.00 H new ATOM 0 HA THR B 57 15.139 -1.832 16.563 1.00 25.00 H new ATOM 0 HB THR B 57 17.416 -1.508 17.940 1.00 25.00 H new ATOM 0 HG1 THR B 57 18.125 0.718 17.525 1.00 25.00 H new ATOM 0 HG21 THR B 57 18.486 -0.862 15.779 1.00 25.00 H new ATOM 0 HG22 THR B 57 17.231 -2.099 15.531 1.00 25.00 H new ATOM 0 HG23 THR B 57 16.893 -0.397 15.137 1.00 25.00 H new ATOM 735 N PRO B 58 14.224 -2.688 18.772 1.00 25.00 N ATOM 736 CA PRO B 58 13.826 -3.238 20.058 1.00 25.00 C ATOM 737 C PRO B 58 14.971 -4.047 20.689 1.00 25.00 C ATOM 738 O PRO B 58 15.754 -4.711 20.032 1.00 25.00 O ATOM 739 CB PRO B 58 12.641 -4.143 19.719 1.00 25.00 C ATOM 740 CG PRO B 58 12.848 -4.495 18.292 1.00 25.00 C ATOM 741 CD PRO B 58 13.495 -3.317 17.655 1.00 25.00 C ATOM 0 HA PRO B 58 13.572 -2.466 20.784 1.00 25.00 H new ATOM 0 HB2 PRO B 58 12.625 -5.032 20.350 1.00 25.00 H new ATOM 0 HB3 PRO B 58 11.692 -3.629 19.869 1.00 25.00 H new ATOM 0 HG2 PRO B 58 13.477 -5.380 18.198 1.00 25.00 H new ATOM 0 HG3 PRO B 58 11.899 -4.725 17.808 1.00 25.00 H new ATOM 0 HD2 PRO B 58 14.168 -3.613 16.851 1.00 25.00 H new ATOM 0 HD3 PRO B 58 12.760 -2.639 17.222 1.00 25.00 H new ATOM 749 N LYS B 59 14.919 -4.089 22.017 1.00 25.00 N ATOM 750 CA LYS B 59 15.849 -4.910 22.782 1.00 25.00 C ATOM 751 C LYS B 59 15.456 -6.399 22.695 1.00 25.00 C ATOM 752 O LYS B 59 16.324 -7.247 22.612 1.00 25.00 O ATOM 753 CB LYS B 59 15.891 -4.436 24.227 1.00 25.00 C ATOM 754 CG LYS B 59 17.131 -4.871 25.032 1.00 25.00 C ATOM 755 CD LYS B 59 17.106 -4.444 26.456 1.00 25.00 C ATOM 756 CE LYS B 59 17.174 -2.915 26.662 1.00 25.00 C ATOM 757 NZ LYS B 59 17.125 -2.557 28.120 1.00 25.00 N ATOM 0 H LYS B 59 14.248 -3.568 22.581 1.00 25.00 H new ATOM 0 HA LYS B 59 16.847 -4.806 22.357 1.00 25.00 H new ATOM 0 HB2 LYS B 59 15.837 -3.347 24.236 1.00 25.00 H new ATOM 0 HB3 LYS B 59 15.001 -4.803 24.738 1.00 25.00 H new ATOM 0 HG2 LYS B 59 17.216 -5.957 24.990 1.00 25.00 H new ATOM 0 HG3 LYS B 59 18.022 -4.462 24.556 1.00 25.00 H new ATOM 0 HD2 LYS B 59 16.195 -4.821 26.920 1.00 25.00 H new ATOM 0 HD3 LYS B 59 17.944 -4.907 26.977 1.00 25.00 H new ATOM 0 HE2 LYS B 59 18.092 -2.527 26.221 1.00 25.00 H new ATOM 0 HE3 LYS B 59 16.344 -2.439 26.140 1.00 25.00 H new ATOM 0 HZ1 LYS B 59 17.173 -1.523 28.225 1.00 25.00 H new ATOM 0 HZ2 LYS B 59 16.237 -2.907 28.534 1.00 25.00 H new ATOM 0 HZ3 LYS B 59 17.931 -2.993 28.612 1.00 25.00 H new ATOM 771 N THR B 60 14.134 -6.684 22.729 1.00 25.00 N ATOM 772 CA THR B 60 13.526 -8.042 22.669 1.00 25.00 C ATOM 773 C THR B 60 13.757 -8.678 21.313 1.00 25.00 C ATOM 774 O THR B 60 14.363 -9.708 21.146 1.00 25.00 O ATOM 775 CB THR B 60 12.019 -7.940 22.965 1.00 25.00 C ATOM 776 OG1 THR B 60 11.528 -6.832 22.160 1.00 25.00 O ATOM 777 CG2 THR B 60 11.812 -7.553 24.437 1.00 25.00 C ATOM 778 OXT THR B 60 13.171 -8.037 20.317 1.00 25.00 O ATOM 0 H THR B 60 13.431 -5.949 22.802 1.00 25.00 H new ATOM 0 HA THR B 60 14.000 -8.675 23.419 1.00 25.00 H new ATOM 0 HB THR B 60 11.515 -8.883 22.753 1.00 25.00 H new ATOM 0 HG1 THR B 60 11.915 -6.884 21.261 1.00 25.00 H new ATOM 0 HG21 THR B 60 10.745 -7.480 24.648 1.00 25.00 H new ATOM 0 HG22 THR B 60 12.258 -8.313 25.079 1.00 25.00 H new ATOM 0 HG23 THR B 60 12.286 -6.591 24.630 1.00 25.00 H new TER 787 THR B 60