USER MOD reduce.3.24.130724 H: found=0, std=0, add=511, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 510 hydrogens (2 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 49 THR OG1 : rot 97:sc= 1.01 USER MOD Set 1.2: A 50 HIS : no HD1:sc= 0.836 K(o=1.8,f=-2) USER MOD Single : A 1 LYS N :NH3+ 178:sc= 0.944 (180deg=0.943) USER MOD Single : A 1 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 TYR OH : rot 180:sc= -0.111 USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 9 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 10 THR OG1 : rot -129:sc= 0.139 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 TYR OH : rot 30:sc= 0 USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 ASN : amide:sc= 0.521 K(o=0.52,f=-3.9!) USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 TYR OH : rot 177:sc= 0.685 USER MOD Single : A 34 TYR OH : rot 130:sc= -0.0249 USER MOD Single : A 35 GLN : amide:sc= -0.0222 K(o=-0.022,f=-1.1) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 38 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 ASN : amide:sc= 0 K(o=0,f=-0.79) USER MOD Single : A 63 LYS NZ :NH3+ -177:sc= 1.27 (180deg=1.16) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 12.571 30.792 31.999 1.00 0.00 N ATOM 2 CA LYS A 1 13.684 31.593 32.555 1.00 0.00 C ATOM 3 C LYS A 1 14.596 32.083 31.425 1.00 0.00 C ATOM 4 O LYS A 1 14.750 31.394 30.421 1.00 0.00 O ATOM 5 CB LYS A 1 14.453 30.772 33.610 1.00 0.00 C ATOM 6 CG LYS A 1 14.999 31.636 34.756 1.00 0.00 C ATOM 7 CD LYS A 1 15.572 30.761 35.881 1.00 0.00 C ATOM 8 CE LYS A 1 16.045 31.627 37.054 1.00 0.00 C ATOM 9 NZ LYS A 1 16.497 30.794 38.194 1.00 0.00 N1+ ATOM 0 H1 LYS A 1 11.978 30.436 32.775 1.00 0.00 H new ATOM 0 H2 LYS A 1 11.996 31.387 31.369 1.00 0.00 H new ATOM 0 H3 LYS A 1 12.956 29.989 31.462 1.00 0.00 H new ATOM 0 HA LYS A 1 13.285 32.475 33.057 1.00 0.00 H new ATOM 0 HB2 LYS A 1 13.793 30.008 34.020 1.00 0.00 H new ATOM 0 HB3 LYS A 1 15.281 30.253 33.127 1.00 0.00 H new ATOM 0 HG2 LYS A 1 15.775 32.301 34.377 1.00 0.00 H new ATOM 0 HG3 LYS A 1 14.203 32.267 35.151 1.00 0.00 H new ATOM 0 HD2 LYS A 1 14.813 30.058 36.224 1.00 0.00 H new ATOM 0 HD3 LYS A 1 16.405 30.170 35.500 1.00 0.00 H new ATOM 0 HE2 LYS A 1 16.861 32.272 36.727 1.00 0.00 H new ATOM 0 HE3 LYS A 1 15.234 32.279 37.377 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 16.811 31.410 38.971 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 15.711 30.197 38.521 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 17.287 30.190 37.891 1.00 0.00 H new ATOM 25 N GLU A 2 15.193 33.266 31.554 1.00 0.00 N ATOM 26 CA GLU A 2 16.263 33.772 30.671 1.00 0.00 C ATOM 27 C GLU A 2 17.663 33.374 31.205 1.00 0.00 C ATOM 28 O GLU A 2 17.774 32.820 32.304 1.00 0.00 O ATOM 29 CB GLU A 2 16.115 35.301 30.530 1.00 0.00 C ATOM 30 CG GLU A 2 15.168 35.747 29.402 1.00 0.00 C ATOM 31 CD GLU A 2 13.735 35.204 29.497 1.00 0.00 C ATOM 32 OE1 GLU A 2 13.291 34.414 28.631 1.00 0.00 O ATOM 33 OE2 GLU A 2 12.990 35.627 30.416 1.00 0.00 O1- ATOM 0 H GLU A 2 14.945 33.924 32.293 1.00 0.00 H new ATOM 0 HA GLU A 2 16.167 33.318 29.685 1.00 0.00 H new ATOM 0 HB2 GLU A 2 15.752 35.707 31.474 1.00 0.00 H new ATOM 0 HB3 GLU A 2 17.100 35.734 30.354 1.00 0.00 H new ATOM 0 HG2 GLU A 2 15.127 36.836 29.394 1.00 0.00 H new ATOM 0 HG3 GLU A 2 15.594 35.437 28.448 1.00 0.00 H new ATOM 40 N GLY A 3 18.743 33.633 30.453 1.00 0.00 N ATOM 41 CA GLY A 3 20.115 33.368 30.914 1.00 0.00 C ATOM 42 C GLY A 3 21.230 33.985 30.060 1.00 0.00 C ATOM 43 O GLY A 3 21.025 34.318 28.896 1.00 0.00 O ATOM 0 H GLY A 3 18.692 34.029 29.515 1.00 0.00 H new ATOM 0 HA2 GLY A 3 20.215 33.739 31.934 1.00 0.00 H new ATOM 0 HA3 GLY A 3 20.265 32.289 30.951 1.00 0.00 H new ATOM 47 N TYR A 4 22.430 34.111 30.629 1.00 0.00 N ATOM 48 CA TYR A 4 23.639 34.575 29.932 1.00 0.00 C ATOM 49 C TYR A 4 24.276 33.453 29.089 1.00 0.00 C ATOM 50 O TYR A 4 24.041 32.263 29.328 1.00 0.00 O ATOM 51 CB TYR A 4 24.626 35.132 30.974 1.00 0.00 C ATOM 52 CG TYR A 4 25.661 36.127 30.469 1.00 0.00 C ATOM 53 CD1 TYR A 4 26.998 35.738 30.251 1.00 0.00 C ATOM 54 CD2 TYR A 4 25.300 37.478 30.295 1.00 0.00 C ATOM 55 CE1 TYR A 4 27.967 36.699 29.889 1.00 0.00 C ATOM 56 CE2 TYR A 4 26.258 38.435 29.915 1.00 0.00 C ATOM 57 CZ TYR A 4 27.601 38.056 29.734 1.00 0.00 C ATOM 58 OH TYR A 4 28.537 39.006 29.469 1.00 0.00 O ATOM 0 H TYR A 4 22.596 33.889 31.611 1.00 0.00 H new ATOM 0 HA TYR A 4 23.370 35.366 29.232 1.00 0.00 H new ATOM 0 HB2 TYR A 4 24.051 35.611 31.766 1.00 0.00 H new ATOM 0 HB3 TYR A 4 25.153 34.292 31.427 1.00 0.00 H new ATOM 0 HD1 TYR A 4 27.282 34.702 30.361 1.00 0.00 H new ATOM 0 HD2 TYR A 4 24.276 37.782 30.455 1.00 0.00 H new ATOM 0 HE1 TYR A 4 28.991 36.397 29.730 1.00 0.00 H new ATOM 0 HE2 TYR A 4 25.962 39.462 29.762 1.00 0.00 H new ATOM 0 HH TYR A 4 28.103 39.881 29.394 1.00 0.00 H new ATOM 68 N LEU A 5 25.120 33.821 28.119 1.00 0.00 N ATOM 69 CA LEU A 5 25.914 32.869 27.336 1.00 0.00 C ATOM 70 C LEU A 5 27.354 32.767 27.881 1.00 0.00 C ATOM 71 O LEU A 5 28.133 33.716 27.800 1.00 0.00 O ATOM 72 CB LEU A 5 25.845 33.254 25.843 1.00 0.00 C ATOM 73 CG LEU A 5 26.250 32.105 24.903 1.00 0.00 C ATOM 74 CD1 LEU A 5 25.172 31.022 24.872 1.00 0.00 C ATOM 75 CD2 LEU A 5 26.408 32.571 23.455 1.00 0.00 C ATOM 0 H LEU A 5 25.272 34.794 27.854 1.00 0.00 H new ATOM 0 HA LEU A 5 25.496 31.867 27.432 1.00 0.00 H new ATOM 0 HB2 LEU A 5 24.830 33.571 25.603 1.00 0.00 H new ATOM 0 HB3 LEU A 5 26.497 34.109 25.664 1.00 0.00 H new ATOM 0 HG LEU A 5 27.196 31.730 25.293 1.00 0.00 H new ATOM 0 HD11 LEU A 5 25.481 30.220 24.201 1.00 0.00 H new ATOM 0 HD12 LEU A 5 25.030 30.621 25.876 1.00 0.00 H new ATOM 0 HD13 LEU A 5 24.235 31.451 24.517 1.00 0.00 H new ATOM 0 HD21 LEU A 5 26.694 31.725 22.830 1.00 0.00 H new ATOM 0 HD22 LEU A 5 25.463 32.981 23.100 1.00 0.00 H new ATOM 0 HD23 LEU A 5 27.180 33.339 23.402 1.00 0.00 H new ATOM 87 N VAL A 6 27.716 31.597 28.419 1.00 0.00 N ATOM 88 CA VAL A 6 29.031 31.291 29.021 1.00 0.00 C ATOM 89 C VAL A 6 29.332 29.785 28.922 1.00 0.00 C ATOM 90 O VAL A 6 28.412 28.965 28.951 1.00 0.00 O ATOM 91 CB VAL A 6 29.084 31.804 30.481 1.00 0.00 C ATOM 92 CG1 VAL A 6 28.106 31.086 31.421 1.00 0.00 C ATOM 93 CG2 VAL A 6 30.490 31.715 31.083 1.00 0.00 C ATOM 0 H VAL A 6 27.079 30.801 28.451 1.00 0.00 H new ATOM 0 HA VAL A 6 29.810 31.811 28.464 1.00 0.00 H new ATOM 0 HB VAL A 6 28.784 32.849 30.405 1.00 0.00 H new ATOM 0 HG11 VAL A 6 28.199 31.498 32.426 1.00 0.00 H new ATOM 0 HG12 VAL A 6 27.086 31.229 31.063 1.00 0.00 H new ATOM 0 HG13 VAL A 6 28.337 30.021 31.442 1.00 0.00 H new ATOM 0 HG21 VAL A 6 30.471 32.087 32.107 1.00 0.00 H new ATOM 0 HG22 VAL A 6 30.822 30.677 31.080 1.00 0.00 H new ATOM 0 HG23 VAL A 6 31.178 32.318 30.491 1.00 0.00 H new ATOM 103 N ASP A 7 30.602 29.404 28.771 1.00 0.00 N ATOM 104 CA ASP A 7 31.085 28.017 28.862 1.00 0.00 C ATOM 105 C ASP A 7 31.436 27.655 30.319 1.00 0.00 C ATOM 106 O ASP A 7 32.159 28.390 30.997 1.00 0.00 O ATOM 107 CB ASP A 7 32.305 27.845 27.931 1.00 0.00 C ATOM 108 CG ASP A 7 32.823 26.410 27.773 1.00 0.00 C ATOM 109 OD1 ASP A 7 33.673 26.179 26.880 1.00 0.00 O ATOM 110 OD2 ASP A 7 32.378 25.492 28.492 1.00 0.00 O1- ATOM 0 H ASP A 7 31.349 30.070 28.576 1.00 0.00 H new ATOM 0 HA ASP A 7 30.297 27.335 28.542 1.00 0.00 H new ATOM 0 HB2 ASP A 7 32.043 28.228 26.945 1.00 0.00 H new ATOM 0 HB3 ASP A 7 33.118 28.466 28.309 1.00 0.00 H new ATOM 115 N TYR A 8 30.970 26.502 30.802 1.00 0.00 N ATOM 116 CA TYR A 8 31.329 25.966 32.125 1.00 0.00 C ATOM 117 C TYR A 8 32.845 25.800 32.333 1.00 0.00 C ATOM 118 O TYR A 8 33.307 25.800 33.476 1.00 0.00 O ATOM 119 CB TYR A 8 30.598 24.638 32.383 1.00 0.00 C ATOM 120 CG TYR A 8 30.657 23.609 31.268 1.00 0.00 C ATOM 121 CD1 TYR A 8 31.829 22.862 31.042 1.00 0.00 C ATOM 122 CD2 TYR A 8 29.521 23.391 30.467 1.00 0.00 C ATOM 123 CE1 TYR A 8 31.873 21.922 29.997 1.00 0.00 C ATOM 124 CE2 TYR A 8 29.555 22.435 29.436 1.00 0.00 C ATOM 125 CZ TYR A 8 30.735 21.704 29.188 1.00 0.00 C ATOM 126 OH TYR A 8 30.757 20.781 28.191 1.00 0.00 O ATOM 0 H TYR A 8 30.326 25.905 30.284 1.00 0.00 H new ATOM 0 HA TYR A 8 31.004 26.709 32.854 1.00 0.00 H new ATOM 0 HB2 TYR A 8 31.013 24.189 33.285 1.00 0.00 H new ATOM 0 HB3 TYR A 8 29.551 24.859 32.590 1.00 0.00 H new ATOM 0 HD1 TYR A 8 32.694 23.011 31.671 1.00 0.00 H new ATOM 0 HD2 TYR A 8 28.620 23.960 30.644 1.00 0.00 H new ATOM 0 HE1 TYR A 8 32.780 21.365 29.812 1.00 0.00 H new ATOM 0 HE2 TYR A 8 28.676 22.261 28.833 1.00 0.00 H new ATOM 0 HH TYR A 8 29.887 20.766 27.740 1.00 0.00 H new ATOM 136 N HIS A 9 33.638 25.708 31.256 1.00 0.00 N ATOM 137 CA HIS A 9 35.104 25.700 31.335 1.00 0.00 C ATOM 138 C HIS A 9 35.717 27.035 31.785 1.00 0.00 C ATOM 139 O HIS A 9 36.742 27.019 32.462 1.00 0.00 O ATOM 140 CB HIS A 9 35.685 25.292 29.975 1.00 0.00 C ATOM 141 CG HIS A 9 37.191 25.161 29.984 1.00 0.00 C ATOM 142 ND1 HIS A 9 37.893 24.100 30.563 1.00 0.00 N ATOM 143 CD2 HIS A 9 38.086 26.069 29.495 1.00 0.00 C ATOM 144 CE1 HIS A 9 39.197 24.406 30.422 1.00 0.00 C ATOM 145 NE2 HIS A 9 39.342 25.581 29.788 1.00 0.00 N ATOM 0 H HIS A 9 33.279 25.637 30.304 1.00 0.00 H new ATOM 0 HA HIS A 9 35.367 24.976 32.106 1.00 0.00 H new ATOM 0 HB2 HIS A 9 35.246 24.342 29.670 1.00 0.00 H new ATOM 0 HB3 HIS A 9 35.396 26.031 29.228 1.00 0.00 H new ATOM 0 HD2 HIS A 9 37.855 26.990 28.979 1.00 0.00 H new ATOM 0 HE1 HIS A 9 40.014 23.791 30.771 1.00 0.00 H new ATOM 0 HE2 HIS A 9 40.228 26.034 29.562 1.00 0.00 H new ATOM 153 N THR A 10 35.135 28.188 31.430 1.00 0.00 N ATOM 154 CA THR A 10 35.792 29.496 31.634 1.00 0.00 C ATOM 155 C THR A 10 34.828 30.687 31.599 1.00 0.00 C ATOM 156 O THR A 10 33.960 30.780 30.729 1.00 0.00 O ATOM 157 CB THR A 10 36.924 29.679 30.602 1.00 0.00 C ATOM 158 OG1 THR A 10 37.650 30.847 30.892 1.00 0.00 O ATOM 159 CG2 THR A 10 36.465 29.790 29.143 1.00 0.00 C ATOM 0 H THR A 10 34.212 28.247 31.000 1.00 0.00 H new ATOM 0 HA THR A 10 36.205 29.483 32.643 1.00 0.00 H new ATOM 0 HB THR A 10 37.521 28.771 30.690 1.00 0.00 H new ATOM 0 HG1 THR A 10 37.726 31.395 30.083 1.00 0.00 H new ATOM 0 HG21 THR A 10 37.334 29.916 28.497 1.00 0.00 H new ATOM 0 HG22 THR A 10 35.931 28.883 28.860 1.00 0.00 H new ATOM 0 HG23 THR A 10 35.804 30.650 29.034 1.00 0.00 H new ATOM 167 N GLY A 11 35.004 31.650 32.510 1.00 0.00 N ATOM 168 CA GLY A 11 34.117 32.811 32.673 1.00 0.00 C ATOM 169 C GLY A 11 34.290 33.935 31.643 1.00 0.00 C ATOM 170 O GLY A 11 33.776 35.034 31.857 1.00 0.00 O ATOM 0 H GLY A 11 35.782 31.646 33.169 1.00 0.00 H new ATOM 0 HA2 GLY A 11 33.085 32.464 32.633 1.00 0.00 H new ATOM 0 HA3 GLY A 11 34.275 33.228 33.668 1.00 0.00 H new ATOM 174 N CYS A 12 35.007 33.704 30.538 1.00 0.00 N ATOM 175 CA CYS A 12 35.031 34.643 29.414 1.00 0.00 C ATOM 176 C CYS A 12 33.617 34.791 28.817 1.00 0.00 C ATOM 177 O CYS A 12 32.941 33.800 28.533 1.00 0.00 O ATOM 178 CB CYS A 12 36.046 34.204 28.346 1.00 0.00 C ATOM 179 SG CYS A 12 37.684 34.976 28.495 1.00 0.00 S ATOM 0 H CYS A 12 35.580 32.872 30.399 1.00 0.00 H new ATOM 0 HA CYS A 12 35.351 35.617 29.783 1.00 0.00 H new ATOM 0 HB2 CYS A 12 36.163 33.122 28.398 1.00 0.00 H new ATOM 0 HB3 CYS A 12 35.639 34.433 27.361 1.00 0.00 H new ATOM 184 N LYS A 13 33.168 36.037 28.642 1.00 0.00 N ATOM 185 CA LYS A 13 31.876 36.386 28.027 1.00 0.00 C ATOM 186 C LYS A 13 31.872 36.133 26.511 1.00 0.00 C ATOM 187 O LYS A 13 32.761 36.620 25.811 1.00 0.00 O ATOM 188 CB LYS A 13 31.509 37.843 28.386 1.00 0.00 C ATOM 189 CG LYS A 13 32.552 38.906 27.975 1.00 0.00 C ATOM 190 CD LYS A 13 32.343 40.268 28.651 1.00 0.00 C ATOM 191 CE LYS A 13 31.094 41.002 28.151 1.00 0.00 C ATOM 192 NZ LYS A 13 30.916 42.293 28.855 1.00 0.00 N1+ ATOM 0 H LYS A 13 33.704 36.855 28.930 1.00 0.00 H new ATOM 0 HA LYS A 13 31.106 35.731 28.434 1.00 0.00 H new ATOM 0 HB2 LYS A 13 30.558 38.088 27.912 1.00 0.00 H new ATOM 0 HB3 LYS A 13 31.354 37.907 29.463 1.00 0.00 H new ATOM 0 HG2 LYS A 13 33.549 38.538 28.219 1.00 0.00 H new ATOM 0 HG3 LYS A 13 32.517 39.038 26.894 1.00 0.00 H new ATOM 0 HD2 LYS A 13 32.265 40.124 29.729 1.00 0.00 H new ATOM 0 HD3 LYS A 13 33.219 40.892 28.475 1.00 0.00 H new ATOM 0 HE2 LYS A 13 31.177 41.178 27.078 1.00 0.00 H new ATOM 0 HE3 LYS A 13 30.215 40.376 28.305 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 30.063 42.769 28.497 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 30.814 42.121 29.876 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 31.746 42.897 28.687 1.00 0.00 H new ATOM 206 N TYR A 14 30.857 35.431 25.997 1.00 0.00 N ATOM 207 CA TYR A 14 30.630 35.295 24.551 1.00 0.00 C ATOM 208 C TYR A 14 30.107 36.620 23.969 1.00 0.00 C ATOM 209 O TYR A 14 28.948 36.996 24.167 1.00 0.00 O ATOM 210 CB TYR A 14 29.644 34.159 24.258 1.00 0.00 C ATOM 211 CG TYR A 14 30.237 32.764 24.300 1.00 0.00 C ATOM 212 CD1 TYR A 14 30.935 32.267 23.184 1.00 0.00 C ATOM 213 CD2 TYR A 14 30.059 31.944 25.429 1.00 0.00 C ATOM 214 CE1 TYR A 14 31.429 30.948 23.185 1.00 0.00 C ATOM 215 CE2 TYR A 14 30.525 30.616 25.423 1.00 0.00 C ATOM 216 CZ TYR A 14 31.205 30.114 24.299 1.00 0.00 C ATOM 217 OH TYR A 14 31.571 28.807 24.285 1.00 0.00 O ATOM 0 H TYR A 14 30.169 34.941 26.569 1.00 0.00 H new ATOM 0 HA TYR A 14 31.580 35.052 24.076 1.00 0.00 H new ATOM 0 HB2 TYR A 14 28.828 34.212 24.979 1.00 0.00 H new ATOM 0 HB3 TYR A 14 29.209 34.322 23.272 1.00 0.00 H new ATOM 0 HD1 TYR A 14 31.093 32.900 22.323 1.00 0.00 H new ATOM 0 HD2 TYR A 14 29.562 32.335 26.305 1.00 0.00 H new ATOM 0 HE1 TYR A 14 31.979 30.576 22.333 1.00 0.00 H new ATOM 0 HE2 TYR A 14 30.360 29.982 26.282 1.00 0.00 H new ATOM 0 HH TYR A 14 32.353 28.692 23.705 1.00 0.00 H new ATOM 227 N THR A 15 30.977 37.336 23.255 1.00 0.00 N ATOM 228 CA THR A 15 30.673 38.630 22.621 1.00 0.00 C ATOM 229 C THR A 15 29.776 38.481 21.383 1.00 0.00 C ATOM 230 O THR A 15 29.692 37.404 20.788 1.00 0.00 O ATOM 231 CB THR A 15 31.959 39.406 22.271 1.00 0.00 C ATOM 232 OG1 THR A 15 32.641 38.863 21.161 1.00 0.00 O ATOM 233 CG2 THR A 15 32.968 39.442 23.417 1.00 0.00 C ATOM 0 H THR A 15 31.937 37.029 23.095 1.00 0.00 H new ATOM 0 HA THR A 15 30.115 39.208 23.358 1.00 0.00 H new ATOM 0 HB THR A 15 31.599 40.411 22.049 1.00 0.00 H new ATOM 0 HG1 THR A 15 33.446 39.392 20.981 1.00 0.00 H new ATOM 0 HG21 THR A 15 33.850 40.002 23.108 1.00 0.00 H new ATOM 0 HG22 THR A 15 32.517 39.925 24.284 1.00 0.00 H new ATOM 0 HG23 THR A 15 33.258 38.424 23.679 1.00 0.00 H new ATOM 241 N CYS A 16 29.111 39.560 20.969 1.00 0.00 N ATOM 242 CA CYS A 16 28.348 39.630 19.715 1.00 0.00 C ATOM 243 C CYS A 16 28.527 41.004 19.057 1.00 0.00 C ATOM 244 O CYS A 16 28.456 42.034 19.730 1.00 0.00 O ATOM 245 CB CYS A 16 26.882 39.251 19.970 1.00 0.00 C ATOM 246 SG CYS A 16 26.007 40.164 21.273 1.00 0.00 S ATOM 0 H CYS A 16 29.085 40.428 21.504 1.00 0.00 H new ATOM 0 HA CYS A 16 28.734 38.903 19.001 1.00 0.00 H new ATOM 0 HB2 CYS A 16 26.332 39.381 19.038 1.00 0.00 H new ATOM 0 HB3 CYS A 16 26.845 38.190 20.217 1.00 0.00 H new ATOM 251 N ALA A 17 28.784 41.022 17.744 1.00 0.00 N ATOM 252 CA ALA A 17 29.226 42.231 17.045 1.00 0.00 C ATOM 253 C ALA A 17 28.178 43.353 16.944 1.00 0.00 C ATOM 254 O ALA A 17 28.561 44.524 16.927 1.00 0.00 O ATOM 255 CB ALA A 17 29.723 41.835 15.651 1.00 0.00 C ATOM 0 H ALA A 17 28.692 40.204 17.141 1.00 0.00 H new ATOM 0 HA ALA A 17 30.025 42.661 17.649 1.00 0.00 H new ATOM 0 HB1 ALA A 17 30.056 42.725 15.117 1.00 0.00 H new ATOM 0 HB2 ALA A 17 30.554 41.136 15.746 1.00 0.00 H new ATOM 0 HB3 ALA A 17 28.913 41.361 15.097 1.00 0.00 H new ATOM 261 N LYS A 18 26.880 43.035 16.863 1.00 0.00 N ATOM 262 CA LYS A 18 25.825 44.045 16.673 1.00 0.00 C ATOM 263 C LYS A 18 24.492 43.642 17.296 1.00 0.00 C ATOM 264 O LYS A 18 24.041 42.499 17.167 1.00 0.00 O ATOM 265 CB LYS A 18 25.676 44.342 15.170 1.00 0.00 C ATOM 266 CG LYS A 18 24.978 45.679 14.891 1.00 0.00 C ATOM 267 CD LYS A 18 24.785 45.917 13.393 1.00 0.00 C ATOM 268 CE LYS A 18 23.941 47.177 13.167 1.00 0.00 C ATOM 269 NZ LYS A 18 23.666 47.398 11.730 1.00 0.00 N1+ ATOM 0 H LYS A 18 26.531 42.079 16.926 1.00 0.00 H new ATOM 0 HA LYS A 18 26.129 44.950 17.198 1.00 0.00 H new ATOM 0 HB2 LYS A 18 26.663 44.350 14.707 1.00 0.00 H new ATOM 0 HB3 LYS A 18 25.110 43.538 14.700 1.00 0.00 H new ATOM 0 HG2 LYS A 18 24.009 45.694 15.389 1.00 0.00 H new ATOM 0 HG3 LYS A 18 25.567 46.492 15.315 1.00 0.00 H new ATOM 0 HD2 LYS A 18 25.754 46.026 12.906 1.00 0.00 H new ATOM 0 HD3 LYS A 18 24.295 45.055 12.939 1.00 0.00 H new ATOM 0 HE2 LYS A 18 22.999 47.087 13.709 1.00 0.00 H new ATOM 0 HE3 LYS A 18 24.462 48.043 13.576 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 23.093 48.258 11.614 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 24.564 47.509 11.218 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 23.147 46.582 11.346 1.00 0.00 H new ATOM 283 N LEU A 19 23.833 44.618 17.910 1.00 0.00 N ATOM 284 CA LEU A 19 22.455 44.519 18.402 1.00 0.00 C ATOM 285 C LEU A 19 21.493 44.378 17.207 1.00 0.00 C ATOM 286 O LEU A 19 21.717 44.969 16.148 1.00 0.00 O ATOM 287 CB LEU A 19 22.118 45.751 19.269 1.00 0.00 C ATOM 288 CG LEU A 19 23.104 46.053 20.416 1.00 0.00 C ATOM 289 CD1 LEU A 19 22.733 47.379 21.077 1.00 0.00 C ATOM 290 CD2 LEU A 19 23.106 44.962 21.485 1.00 0.00 C ATOM 0 H LEU A 19 24.252 45.531 18.087 1.00 0.00 H new ATOM 0 HA LEU A 19 22.344 43.635 19.030 1.00 0.00 H new ATOM 0 HB2 LEU A 19 22.066 46.625 18.620 1.00 0.00 H new ATOM 0 HB3 LEU A 19 21.125 45.611 19.696 1.00 0.00 H new ATOM 0 HG LEU A 19 24.100 46.100 19.976 1.00 0.00 H new ATOM 0 HD11 LEU A 19 23.431 47.590 21.887 1.00 0.00 H new ATOM 0 HD12 LEU A 19 22.781 48.180 20.339 1.00 0.00 H new ATOM 0 HD13 LEU A 19 21.721 47.315 21.478 1.00 0.00 H new ATOM 0 HD21 LEU A 19 23.816 45.223 22.269 1.00 0.00 H new ATOM 0 HD22 LEU A 19 22.108 44.872 21.914 1.00 0.00 H new ATOM 0 HD23 LEU A 19 23.395 44.012 21.035 1.00 0.00 H new ATOM 302 N GLY A 20 20.440 43.577 17.336 1.00 0.00 N ATOM 303 CA GLY A 20 19.482 43.282 16.260 1.00 0.00 C ATOM 304 C GLY A 20 19.954 42.249 15.224 1.00 0.00 C ATOM 305 O GLY A 20 19.110 41.641 14.563 1.00 0.00 O ATOM 0 H GLY A 20 20.218 43.100 18.210 1.00 0.00 H new ATOM 0 HA2 GLY A 20 18.555 42.924 16.709 1.00 0.00 H new ATOM 0 HA3 GLY A 20 19.247 44.211 15.741 1.00 0.00 H new ATOM 309 N ASP A 21 21.264 41.986 15.102 1.00 0.00 N ATOM 310 CA ASP A 21 21.816 40.855 14.328 1.00 0.00 C ATOM 311 C ASP A 21 21.734 39.557 15.173 1.00 0.00 C ATOM 312 O ASP A 21 22.730 38.873 15.428 1.00 0.00 O ATOM 313 CB ASP A 21 23.248 41.133 13.805 1.00 0.00 C ATOM 314 CG ASP A 21 23.393 42.208 12.714 1.00 0.00 C ATOM 315 OD1 ASP A 21 24.433 42.204 12.009 1.00 0.00 O ATOM 316 OD2 ASP A 21 22.483 43.049 12.517 1.00 0.00 O1- ATOM 0 H ASP A 21 21.983 42.559 15.543 1.00 0.00 H new ATOM 0 HA ASP A 21 21.207 40.723 13.434 1.00 0.00 H new ATOM 0 HB2 ASP A 21 23.868 41.424 14.653 1.00 0.00 H new ATOM 0 HB3 ASP A 21 23.655 40.199 13.418 1.00 0.00 H new ATOM 321 N ASN A 22 20.550 39.258 15.718 1.00 0.00 N ATOM 322 CA ASN A 22 20.336 38.211 16.717 1.00 0.00 C ATOM 323 C ASN A 22 20.443 36.774 16.174 1.00 0.00 C ATOM 324 O ASN A 22 20.663 35.860 16.966 1.00 0.00 O ATOM 325 CB ASN A 22 18.988 38.458 17.412 1.00 0.00 C ATOM 326 CG ASN A 22 18.921 39.806 18.111 1.00 0.00 C ATOM 327 OD1 ASN A 22 19.907 40.320 18.618 1.00 0.00 O ATOM 328 ND2 ASN A 22 17.758 40.400 18.191 1.00 0.00 N ATOM 0 H ASN A 22 19.693 39.752 15.468 1.00 0.00 H new ATOM 0 HA ASN A 22 21.152 38.281 17.436 1.00 0.00 H new ATOM 0 HB2 ASN A 22 18.188 38.397 16.674 1.00 0.00 H new ATOM 0 HB3 ASN A 22 18.810 37.667 18.141 1.00 0.00 H new ATOM 0 HD21 ASN A 22 17.674 41.293 18.677 1.00 0.00 H new ATOM 0 HD22 ASN A 22 16.936 39.970 17.767 1.00 0.00 H new ATOM 335 N ASP A 23 20.370 36.561 14.855 1.00 0.00 N ATOM 336 CA ASP A 23 20.549 35.245 14.213 1.00 0.00 C ATOM 337 C ASP A 23 21.900 34.580 14.573 1.00 0.00 C ATOM 338 O ASP A 23 22.000 33.350 14.615 1.00 0.00 O ATOM 339 CB ASP A 23 20.399 35.443 12.695 1.00 0.00 C ATOM 340 CG ASP A 23 20.602 34.171 11.869 1.00 0.00 C ATOM 341 OD1 ASP A 23 19.957 33.131 12.145 1.00 0.00 O ATOM 342 OD2 ASP A 23 21.445 34.205 10.943 1.00 0.00 O1- ATOM 0 H ASP A 23 20.182 37.309 14.188 1.00 0.00 H new ATOM 0 HA ASP A 23 19.789 34.557 14.584 1.00 0.00 H new ATOM 0 HB2 ASP A 23 19.405 35.841 12.489 1.00 0.00 H new ATOM 0 HB3 ASP A 23 21.117 36.194 12.366 1.00 0.00 H new ATOM 347 N TYR A 24 22.926 35.376 14.901 1.00 0.00 N ATOM 348 CA TYR A 24 24.189 34.895 15.473 1.00 0.00 C ATOM 349 C TYR A 24 23.994 34.320 16.889 1.00 0.00 C ATOM 350 O TYR A 24 24.309 33.157 17.147 1.00 0.00 O ATOM 351 CB TYR A 24 25.205 36.048 15.466 1.00 0.00 C ATOM 352 CG TYR A 24 26.501 35.739 16.194 1.00 0.00 C ATOM 353 CD1 TYR A 24 27.496 34.972 15.561 1.00 0.00 C ATOM 354 CD2 TYR A 24 26.707 36.211 17.507 1.00 0.00 C ATOM 355 CE1 TYR A 24 28.696 34.672 16.236 1.00 0.00 C ATOM 356 CE2 TYR A 24 27.903 35.908 18.185 1.00 0.00 C ATOM 357 CZ TYR A 24 28.902 35.139 17.553 1.00 0.00 C ATOM 358 OH TYR A 24 30.061 34.869 18.209 1.00 0.00 O ATOM 0 H TYR A 24 22.901 36.388 14.774 1.00 0.00 H new ATOM 0 HA TYR A 24 24.568 34.075 14.863 1.00 0.00 H new ATOM 0 HB2 TYR A 24 25.435 36.309 14.433 1.00 0.00 H new ATOM 0 HB3 TYR A 24 24.746 36.925 15.922 1.00 0.00 H new ATOM 0 HD1 TYR A 24 27.340 34.612 14.555 1.00 0.00 H new ATOM 0 HD2 TYR A 24 25.947 36.805 17.992 1.00 0.00 H new ATOM 0 HE1 TYR A 24 29.459 34.085 15.746 1.00 0.00 H new ATOM 0 HE2 TYR A 24 28.056 36.266 19.193 1.00 0.00 H new ATOM 0 HH TYR A 24 30.031 35.268 19.103 1.00 0.00 H new ATOM 368 N CYS A 25 23.416 35.102 17.809 1.00 0.00 N ATOM 369 CA CYS A 25 23.196 34.661 19.189 1.00 0.00 C ATOM 370 C CYS A 25 22.187 33.512 19.308 1.00 0.00 C ATOM 371 O CYS A 25 22.337 32.691 20.208 1.00 0.00 O ATOM 372 CB CYS A 25 22.762 35.837 20.071 1.00 0.00 C ATOM 373 SG CYS A 25 24.059 37.049 20.421 1.00 0.00 S ATOM 0 H CYS A 25 23.091 36.050 17.619 1.00 0.00 H new ATOM 0 HA CYS A 25 24.153 34.275 19.539 1.00 0.00 H new ATOM 0 HB2 CYS A 25 21.930 36.347 19.586 1.00 0.00 H new ATOM 0 HB3 CYS A 25 22.388 35.444 21.016 1.00 0.00 H new ATOM 378 N VAL A 26 21.198 33.397 18.410 1.00 0.00 N ATOM 379 CA VAL A 26 20.290 32.235 18.367 1.00 0.00 C ATOM 380 C VAL A 26 21.076 30.940 18.131 1.00 0.00 C ATOM 381 O VAL A 26 20.921 29.988 18.899 1.00 0.00 O ATOM 382 CB VAL A 26 19.185 32.425 17.308 1.00 0.00 C ATOM 383 CG1 VAL A 26 18.354 31.152 17.095 1.00 0.00 C ATOM 384 CG2 VAL A 26 18.210 33.529 17.729 1.00 0.00 C ATOM 0 H VAL A 26 21.003 34.100 17.697 1.00 0.00 H new ATOM 0 HA VAL A 26 19.798 32.156 19.337 1.00 0.00 H new ATOM 0 HB VAL A 26 19.703 32.685 16.385 1.00 0.00 H new ATOM 0 HG11 VAL A 26 17.590 31.338 16.340 1.00 0.00 H new ATOM 0 HG12 VAL A 26 19.005 30.344 16.761 1.00 0.00 H new ATOM 0 HG13 VAL A 26 17.876 30.868 18.033 1.00 0.00 H new ATOM 0 HG21 VAL A 26 17.440 33.645 16.966 1.00 0.00 H new ATOM 0 HG22 VAL A 26 17.744 33.261 18.677 1.00 0.00 H new ATOM 0 HG23 VAL A 26 18.751 34.468 17.843 1.00 0.00 H new ATOM 394 N ARG A 27 21.972 30.917 17.133 1.00 0.00 N ATOM 395 CA ARG A 27 22.837 29.784 16.819 1.00 0.00 C ATOM 396 C ARG A 27 23.766 29.427 17.975 1.00 0.00 C ATOM 397 O ARG A 27 23.807 28.289 18.428 1.00 0.00 O ATOM 398 CB ARG A 27 23.631 30.185 15.576 1.00 0.00 C ATOM 399 CG ARG A 27 24.380 29.007 14.970 1.00 0.00 C ATOM 400 CD ARG A 27 25.241 29.532 13.829 1.00 0.00 C ATOM 401 NE ARG A 27 26.446 30.231 14.316 1.00 0.00 N ATOM 402 CZ ARG A 27 27.218 31.032 13.610 1.00 0.00 C ATOM 403 NH1 ARG A 27 27.001 31.315 12.362 1.00 0.00 N1+ ATOM 404 NH2 ARG A 27 28.262 31.571 14.154 1.00 0.00 N ATOM 0 H ARG A 27 22.114 31.711 16.508 1.00 0.00 H new ATOM 0 HA ARG A 27 22.241 28.889 16.641 1.00 0.00 H new ATOM 0 HB2 ARG A 27 22.953 30.604 14.833 1.00 0.00 H new ATOM 0 HB3 ARG A 27 24.341 30.970 15.837 1.00 0.00 H new ATOM 0 HG2 ARG A 27 25.001 28.522 15.723 1.00 0.00 H new ATOM 0 HG3 ARG A 27 23.679 28.257 14.604 1.00 0.00 H new ATOM 0 HD2 ARG A 27 25.539 28.702 13.189 1.00 0.00 H new ATOM 0 HD3 ARG A 27 24.652 30.213 13.215 1.00 0.00 H new ATOM 0 HE ARG A 27 26.706 30.080 15.291 1.00 0.00 H new ATOM 0 HH11 ARG A 27 26.199 30.910 11.879 1.00 0.00 H new ATOM 0 HH12 ARG A 27 27.633 31.942 11.864 1.00 0.00 H new ATOM 0 HH21 ARG A 27 28.487 31.376 15.129 1.00 0.00 H new ATOM 0 HH22 ARG A 27 28.859 32.191 13.607 1.00 0.00 H new ATOM 418 N GLU A 28 24.498 30.402 18.500 1.00 0.00 N ATOM 419 CA GLU A 28 25.447 30.135 19.581 1.00 0.00 C ATOM 420 C GLU A 28 24.755 29.783 20.913 1.00 0.00 C ATOM 421 O GLU A 28 25.314 28.997 21.679 1.00 0.00 O ATOM 422 CB GLU A 28 26.395 31.326 19.733 1.00 0.00 C ATOM 423 CG GLU A 28 27.240 31.619 18.475 1.00 0.00 C ATOM 424 CD GLU A 28 28.057 30.413 17.985 1.00 0.00 C ATOM 425 OE1 GLU A 28 28.594 29.658 18.833 1.00 0.00 O ATOM 426 OE2 GLU A 28 28.185 30.216 16.748 1.00 0.00 O1- ATOM 0 H GLU A 28 24.456 31.376 18.201 1.00 0.00 H new ATOM 0 HA GLU A 28 26.024 29.251 19.310 1.00 0.00 H new ATOM 0 HB2 GLU A 28 25.811 32.213 19.981 1.00 0.00 H new ATOM 0 HB3 GLU A 28 27.064 31.140 20.573 1.00 0.00 H new ATOM 0 HG2 GLU A 28 26.579 31.949 17.673 1.00 0.00 H new ATOM 0 HG3 GLU A 28 27.919 32.444 18.688 1.00 0.00 H new ATOM 433 N CYS A 29 23.534 30.277 21.165 1.00 0.00 N ATOM 434 CA CYS A 29 22.712 29.893 22.315 1.00 0.00 C ATOM 435 C CYS A 29 22.190 28.455 22.194 1.00 0.00 C ATOM 436 O CYS A 29 22.334 27.675 23.140 1.00 0.00 O ATOM 437 CB CYS A 29 21.541 30.871 22.485 1.00 0.00 C ATOM 438 SG CYS A 29 20.453 30.443 23.869 1.00 0.00 S ATOM 0 H CYS A 29 23.085 30.967 20.563 1.00 0.00 H new ATOM 0 HA CYS A 29 23.348 29.937 23.199 1.00 0.00 H new ATOM 0 HB2 CYS A 29 21.934 31.876 22.637 1.00 0.00 H new ATOM 0 HB3 CYS A 29 20.957 30.893 21.565 1.00 0.00 H new ATOM 443 N ARG A 30 21.632 28.070 21.036 1.00 0.00 N ATOM 444 CA ARG A 30 21.120 26.706 20.817 1.00 0.00 C ATOM 445 C ARG A 30 22.229 25.647 20.797 1.00 0.00 C ATOM 446 O ARG A 30 21.974 24.510 21.175 1.00 0.00 O ATOM 447 CB ARG A 30 20.174 26.669 19.598 1.00 0.00 C ATOM 448 CG ARG A 30 20.874 26.616 18.229 1.00 0.00 C ATOM 449 CD ARG A 30 19.928 26.823 17.042 1.00 0.00 C ATOM 450 NE ARG A 30 18.909 25.766 16.951 1.00 0.00 N ATOM 451 CZ ARG A 30 18.405 25.209 15.865 1.00 0.00 C ATOM 452 NH1 ARG A 30 18.790 25.483 14.652 1.00 0.00 N1+ ATOM 453 NH2 ARG A 30 17.449 24.343 15.991 1.00 0.00 N ATOM 0 H ARG A 30 21.523 28.688 20.232 1.00 0.00 H new ATOM 0 HA ARG A 30 20.516 26.427 21.680 1.00 0.00 H new ATOM 0 HB2 ARG A 30 19.523 25.800 19.689 1.00 0.00 H new ATOM 0 HB3 ARG A 30 19.534 27.551 19.627 1.00 0.00 H new ATOM 0 HG2 ARG A 30 21.652 27.379 18.199 1.00 0.00 H new ATOM 0 HG3 ARG A 30 21.370 25.651 18.122 1.00 0.00 H new ATOM 0 HD2 ARG A 30 19.437 27.791 17.136 1.00 0.00 H new ATOM 0 HD3 ARG A 30 20.507 26.848 16.119 1.00 0.00 H new ATOM 0 HE ARG A 30 18.546 25.420 17.839 1.00 0.00 H new ATOM 0 HH11 ARG A 30 19.528 26.169 14.494 1.00 0.00 H new ATOM 0 HH12 ARG A 30 18.354 25.012 13.860 1.00 0.00 H new ATOM 0 HH21 ARG A 30 17.098 24.102 16.918 1.00 0.00 H new ATOM 0 HH22 ARG A 30 17.047 23.903 15.163 1.00 0.00 H new ATOM 467 N LEU A 31 23.469 26.030 20.464 1.00 0.00 N ATOM 468 CA LEU A 31 24.646 25.156 20.603 1.00 0.00 C ATOM 469 C LEU A 31 25.194 25.078 22.048 1.00 0.00 C ATOM 470 O LEU A 31 25.888 24.116 22.401 1.00 0.00 O ATOM 471 CB LEU A 31 25.721 25.614 19.600 1.00 0.00 C ATOM 472 CG LEU A 31 25.329 25.416 18.120 1.00 0.00 C ATOM 473 CD1 LEU A 31 26.373 26.080 17.224 1.00 0.00 C ATOM 474 CD2 LEU A 31 25.224 23.940 17.734 1.00 0.00 C ATOM 0 H LEU A 31 23.686 26.954 20.091 1.00 0.00 H new ATOM 0 HA LEU A 31 24.339 24.135 20.375 1.00 0.00 H new ATOM 0 HB2 LEU A 31 25.935 26.669 19.770 1.00 0.00 H new ATOM 0 HB3 LEU A 31 26.643 25.066 19.797 1.00 0.00 H new ATOM 0 HG LEU A 31 24.348 25.870 17.985 1.00 0.00 H new ATOM 0 HD11 LEU A 31 26.097 25.941 16.179 1.00 0.00 H new ATOM 0 HD12 LEU A 31 26.420 27.146 17.448 1.00 0.00 H new ATOM 0 HD13 LEU A 31 27.348 25.628 17.405 1.00 0.00 H new ATOM 0 HD21 LEU A 31 24.946 23.858 16.683 1.00 0.00 H new ATOM 0 HD22 LEU A 31 26.186 23.453 17.894 1.00 0.00 H new ATOM 0 HD23 LEU A 31 24.465 23.456 18.349 1.00 0.00 H new ATOM 486 N ARG A 32 24.870 26.049 22.913 1.00 0.00 N ATOM 487 CA ARG A 32 25.200 26.036 24.349 1.00 0.00 C ATOM 488 C ARG A 32 24.176 25.257 25.173 1.00 0.00 C ATOM 489 O ARG A 32 24.534 24.265 25.801 1.00 0.00 O ATOM 490 CB ARG A 32 25.381 27.483 24.844 1.00 0.00 C ATOM 491 CG ARG A 32 25.683 27.655 26.345 1.00 0.00 C ATOM 492 CD ARG A 32 26.693 26.670 26.936 1.00 0.00 C ATOM 493 NE ARG A 32 27.963 26.632 26.198 1.00 0.00 N ATOM 494 CZ ARG A 32 28.961 25.806 26.435 1.00 0.00 C ATOM 495 NH1 ARG A 32 28.954 24.942 27.405 1.00 0.00 N1+ ATOM 496 NH2 ARG A 32 29.999 25.834 25.658 1.00 0.00 N ATOM 0 H ARG A 32 24.360 26.885 22.629 1.00 0.00 H new ATOM 0 HA ARG A 32 26.141 25.504 24.487 1.00 0.00 H new ATOM 0 HB2 ARG A 32 26.192 27.940 24.277 1.00 0.00 H new ATOM 0 HB3 ARG A 32 24.474 28.041 24.611 1.00 0.00 H new ATOM 0 HG2 ARG A 32 26.052 28.667 26.509 1.00 0.00 H new ATOM 0 HG3 ARG A 32 24.748 27.563 26.898 1.00 0.00 H new ATOM 0 HD2 ARG A 32 26.891 26.941 27.973 1.00 0.00 H new ATOM 0 HD3 ARG A 32 26.255 25.672 26.945 1.00 0.00 H new ATOM 0 HE ARG A 32 28.082 27.302 25.438 1.00 0.00 H new ATOM 0 HH11 ARG A 32 28.148 24.880 28.027 1.00 0.00 H new ATOM 0 HH12 ARG A 32 29.754 24.325 27.544 1.00 0.00 H new ATOM 0 HH21 ARG A 32 30.034 26.489 24.877 1.00 0.00 H new ATOM 0 HH22 ARG A 32 30.780 25.201 25.828 1.00 0.00 H new ATOM 510 N TYR A 33 22.922 25.700 25.183 1.00 0.00 N ATOM 511 CA TYR A 33 21.854 25.086 25.982 1.00 0.00 C ATOM 512 C TYR A 33 21.289 23.832 25.293 1.00 0.00 C ATOM 513 O TYR A 33 21.741 22.723 25.584 1.00 0.00 O ATOM 514 CB TYR A 33 20.801 26.138 26.371 1.00 0.00 C ATOM 515 CG TYR A 33 21.313 27.139 27.397 1.00 0.00 C ATOM 516 CD1 TYR A 33 21.245 26.825 28.769 1.00 0.00 C ATOM 517 CD2 TYR A 33 21.889 28.361 26.990 1.00 0.00 C ATOM 518 CE1 TYR A 33 21.746 27.725 29.730 1.00 0.00 C ATOM 519 CE2 TYR A 33 22.389 29.267 27.952 1.00 0.00 C ATOM 520 CZ TYR A 33 22.314 28.951 29.325 1.00 0.00 C ATOM 521 OH TYR A 33 22.798 29.804 30.268 1.00 0.00 O ATOM 0 H TYR A 33 22.611 26.501 24.634 1.00 0.00 H new ATOM 0 HA TYR A 33 22.267 24.721 26.923 1.00 0.00 H new ATOM 0 HB2 TYR A 33 20.482 26.673 25.477 1.00 0.00 H new ATOM 0 HB3 TYR A 33 19.921 25.633 26.771 1.00 0.00 H new ATOM 0 HD1 TYR A 33 20.807 25.890 29.085 1.00 0.00 H new ATOM 0 HD2 TYR A 33 21.948 28.605 25.940 1.00 0.00 H new ATOM 0 HE1 TYR A 33 21.695 27.476 30.780 1.00 0.00 H new ATOM 0 HE2 TYR A 33 22.829 30.202 27.636 1.00 0.00 H new ATOM 0 HH TYR A 33 23.200 30.582 29.829 1.00 0.00 H new ATOM 531 N TYR A 34 20.348 23.992 24.363 1.00 0.00 N ATOM 532 CA TYR A 34 19.750 22.900 23.588 1.00 0.00 C ATOM 533 C TYR A 34 19.183 23.408 22.256 1.00 0.00 C ATOM 534 O TYR A 34 18.809 24.574 22.139 1.00 0.00 O ATOM 535 CB TYR A 34 18.671 22.173 24.414 1.00 0.00 C ATOM 536 CG TYR A 34 17.701 23.044 25.202 1.00 0.00 C ATOM 537 CD1 TYR A 34 16.589 23.633 24.572 1.00 0.00 C ATOM 538 CD2 TYR A 34 17.893 23.224 26.587 1.00 0.00 C ATOM 539 CE1 TYR A 34 15.664 24.392 25.320 1.00 0.00 C ATOM 540 CE2 TYR A 34 16.978 23.988 27.336 1.00 0.00 C ATOM 541 CZ TYR A 34 15.857 24.567 26.708 1.00 0.00 C ATOM 542 OH TYR A 34 14.960 25.272 27.445 1.00 0.00 O ATOM 0 H TYR A 34 19.969 24.907 24.120 1.00 0.00 H new ATOM 0 HA TYR A 34 20.537 22.182 23.355 1.00 0.00 H new ATOM 0 HB2 TYR A 34 18.091 21.547 23.737 1.00 0.00 H new ATOM 0 HB3 TYR A 34 19.173 21.505 25.114 1.00 0.00 H new ATOM 0 HD1 TYR A 34 16.443 23.503 23.510 1.00 0.00 H new ATOM 0 HD2 TYR A 34 18.745 22.774 27.075 1.00 0.00 H new ATOM 0 HE1 TYR A 34 14.810 24.838 24.832 1.00 0.00 H new ATOM 0 HE2 TYR A 34 17.136 24.131 28.395 1.00 0.00 H new ATOM 0 HH TYR A 34 14.705 24.751 28.235 1.00 0.00 H new ATOM 552 N GLN A 35 19.057 22.525 21.260 1.00 0.00 N ATOM 553 CA GLN A 35 18.668 22.879 19.885 1.00 0.00 C ATOM 554 C GLN A 35 17.345 23.665 19.765 1.00 0.00 C ATOM 555 O GLN A 35 17.217 24.532 18.895 1.00 0.00 O ATOM 556 CB GLN A 35 18.674 21.599 19.029 1.00 0.00 C ATOM 557 CG GLN A 35 17.646 20.507 19.402 1.00 0.00 C ATOM 558 CD GLN A 35 16.295 20.612 18.695 1.00 0.00 C ATOM 559 OE1 GLN A 35 16.063 21.447 17.830 1.00 0.00 O ATOM 560 NE2 GLN A 35 15.340 19.776 19.028 1.00 0.00 N ATOM 0 H GLN A 35 19.225 21.527 21.386 1.00 0.00 H new ATOM 0 HA GLN A 35 19.408 23.585 19.508 1.00 0.00 H new ATOM 0 HB2 GLN A 35 18.505 21.884 17.991 1.00 0.00 H new ATOM 0 HB3 GLN A 35 19.670 21.160 19.081 1.00 0.00 H new ATOM 0 HG2 GLN A 35 18.079 19.532 19.179 1.00 0.00 H new ATOM 0 HG3 GLN A 35 17.478 20.542 20.478 1.00 0.00 H new ATOM 0 HE21 GLN A 35 15.507 19.071 19.746 1.00 0.00 H new ATOM 0 HE22 GLN A 35 14.431 19.831 18.569 1.00 0.00 H new ATOM 569 N SER A 36 16.386 23.440 20.669 1.00 0.00 N ATOM 570 CA SER A 36 15.112 24.173 20.727 1.00 0.00 C ATOM 571 C SER A 36 15.200 25.602 21.298 1.00 0.00 C ATOM 572 O SER A 36 14.180 26.288 21.332 1.00 0.00 O ATOM 573 CB SER A 36 14.068 23.358 21.507 1.00 0.00 C ATOM 574 OG SER A 36 14.021 22.023 21.034 1.00 0.00 O ATOM 0 H SER A 36 16.473 22.730 21.396 1.00 0.00 H new ATOM 0 HA SER A 36 14.810 24.299 19.687 1.00 0.00 H new ATOM 0 HB2 SER A 36 14.313 23.365 22.569 1.00 0.00 H new ATOM 0 HB3 SER A 36 13.087 23.821 21.404 1.00 0.00 H new ATOM 0 HG SER A 36 13.352 21.519 21.543 1.00 0.00 H new ATOM 580 N ALA A 37 16.373 26.056 21.759 1.00 0.00 N ATOM 581 CA ALA A 37 16.542 27.366 22.406 1.00 0.00 C ATOM 582 C ALA A 37 16.487 28.589 21.456 1.00 0.00 C ATOM 583 O ALA A 37 16.581 28.459 20.231 1.00 0.00 O ATOM 584 CB ALA A 37 17.844 27.353 23.222 1.00 0.00 C ATOM 0 H ALA A 37 17.239 25.521 21.693 1.00 0.00 H new ATOM 0 HA ALA A 37 15.676 27.502 23.054 1.00 0.00 H new ATOM 0 HB1 ALA A 37 17.980 28.320 23.706 1.00 0.00 H new ATOM 0 HB2 ALA A 37 17.790 26.572 23.980 1.00 0.00 H new ATOM 0 HB3 ALA A 37 18.687 27.158 22.559 1.00 0.00 H new ATOM 590 N HIS A 38 16.399 29.786 22.058 1.00 0.00 N ATOM 591 CA HIS A 38 16.373 31.116 21.420 1.00 0.00 C ATOM 592 C HIS A 38 17.175 32.163 22.220 1.00 0.00 C ATOM 593 O HIS A 38 17.556 31.915 23.363 1.00 0.00 O ATOM 594 CB HIS A 38 14.913 31.572 21.255 1.00 0.00 C ATOM 595 CG HIS A 38 14.187 30.836 20.163 1.00 0.00 C ATOM 596 ND1 HIS A 38 13.284 29.789 20.346 1.00 0.00 N ATOM 597 CD2 HIS A 38 14.330 31.076 18.827 1.00 0.00 C ATOM 598 CE1 HIS A 38 12.922 29.403 19.111 1.00 0.00 C ATOM 599 NE2 HIS A 38 13.521 30.165 18.187 1.00 0.00 N ATOM 0 H HIS A 38 16.340 29.857 23.074 1.00 0.00 H new ATOM 0 HA HIS A 38 16.849 31.031 20.443 1.00 0.00 H new ATOM 0 HB2 HIS A 38 14.384 31.427 22.197 1.00 0.00 H new ATOM 0 HB3 HIS A 38 14.894 32.640 21.040 1.00 0.00 H new ATOM 0 HD2 HIS A 38 14.952 31.829 18.365 1.00 0.00 H new ATOM 0 HE1 HIS A 38 12.243 28.592 18.894 1.00 0.00 H new ATOM 0 HE2 HIS A 38 13.398 30.084 17.178 1.00 0.00 H new ATOM 607 N GLY A 39 17.438 33.339 21.633 1.00 0.00 N ATOM 608 CA GLY A 39 18.210 34.418 22.271 1.00 0.00 C ATOM 609 C GLY A 39 18.446 35.654 21.390 1.00 0.00 C ATOM 610 O GLY A 39 18.054 35.684 20.222 1.00 0.00 O ATOM 0 H GLY A 39 17.118 33.572 20.693 1.00 0.00 H new ATOM 0 HA2 GLY A 39 17.690 34.730 23.177 1.00 0.00 H new ATOM 0 HA3 GLY A 39 19.177 34.020 22.579 1.00 0.00 H new ATOM 614 N TYR A 40 19.104 36.675 21.946 1.00 0.00 N ATOM 615 CA TYR A 40 19.446 37.934 21.270 1.00 0.00 C ATOM 616 C TYR A 40 20.784 38.525 21.749 1.00 0.00 C ATOM 617 O TYR A 40 21.369 38.071 22.734 1.00 0.00 O ATOM 618 CB TYR A 40 18.283 38.941 21.386 1.00 0.00 C ATOM 619 CG TYR A 40 17.895 39.413 22.779 1.00 0.00 C ATOM 620 CD1 TYR A 40 17.047 38.629 23.586 1.00 0.00 C ATOM 621 CD2 TYR A 40 18.311 40.677 23.240 1.00 0.00 C ATOM 622 CE1 TYR A 40 16.642 39.097 24.853 1.00 0.00 C ATOM 623 CE2 TYR A 40 17.906 41.146 24.505 1.00 0.00 C ATOM 624 CZ TYR A 40 17.080 40.349 25.325 1.00 0.00 C ATOM 625 OH TYR A 40 16.671 40.790 26.546 1.00 0.00 O ATOM 0 H TYR A 40 19.426 36.649 22.914 1.00 0.00 H new ATOM 0 HA TYR A 40 19.592 37.709 20.213 1.00 0.00 H new ATOM 0 HB2 TYR A 40 18.539 39.819 20.793 1.00 0.00 H new ATOM 0 HB3 TYR A 40 17.403 38.492 20.926 1.00 0.00 H new ATOM 0 HD1 TYR A 40 16.706 37.667 23.233 1.00 0.00 H new ATOM 0 HD2 TYR A 40 18.946 41.292 22.619 1.00 0.00 H new ATOM 0 HE1 TYR A 40 15.991 38.491 25.466 1.00 0.00 H new ATOM 0 HE2 TYR A 40 18.229 42.118 24.848 1.00 0.00 H new ATOM 0 HH TYR A 40 17.063 41.671 26.724 1.00 0.00 H new ATOM 635 N CYS A 41 21.302 39.512 21.014 1.00 0.00 N ATOM 636 CA CYS A 41 22.505 40.267 21.376 1.00 0.00 C ATOM 637 C CYS A 41 22.131 41.475 22.252 1.00 0.00 C ATOM 638 O CYS A 41 21.225 42.236 21.895 1.00 0.00 O ATOM 639 CB CYS A 41 23.253 40.671 20.095 1.00 0.00 C ATOM 640 SG CYS A 41 24.827 41.541 20.347 1.00 0.00 S ATOM 0 H CYS A 41 20.889 39.815 20.132 1.00 0.00 H new ATOM 0 HA CYS A 41 23.177 39.647 21.970 1.00 0.00 H new ATOM 0 HB2 CYS A 41 23.445 39.772 19.509 1.00 0.00 H new ATOM 0 HB3 CYS A 41 22.598 41.307 19.499 1.00 0.00 H new ATOM 645 N TYR A 42 22.813 41.648 23.391 1.00 0.00 N ATOM 646 CA TYR A 42 22.483 42.644 24.419 1.00 0.00 C ATOM 647 C TYR A 42 23.745 43.082 25.179 1.00 0.00 C ATOM 648 O TYR A 42 24.524 42.233 25.610 1.00 0.00 O ATOM 649 CB TYR A 42 21.444 42.018 25.363 1.00 0.00 C ATOM 650 CG TYR A 42 20.976 42.907 26.499 1.00 0.00 C ATOM 651 CD1 TYR A 42 20.381 44.153 26.221 1.00 0.00 C ATOM 652 CD2 TYR A 42 21.116 42.481 27.835 1.00 0.00 C ATOM 653 CE1 TYR A 42 19.951 44.981 27.273 1.00 0.00 C ATOM 654 CE2 TYR A 42 20.678 43.305 28.888 1.00 0.00 C ATOM 655 CZ TYR A 42 20.102 44.561 28.612 1.00 0.00 C ATOM 656 OH TYR A 42 19.681 45.350 29.635 1.00 0.00 O ATOM 0 H TYR A 42 23.630 41.086 23.629 1.00 0.00 H new ATOM 0 HA TYR A 42 22.068 43.542 23.960 1.00 0.00 H new ATOM 0 HB2 TYR A 42 20.575 41.722 24.775 1.00 0.00 H new ATOM 0 HB3 TYR A 42 21.866 41.107 25.788 1.00 0.00 H new ATOM 0 HD1 TYR A 42 20.255 44.473 25.197 1.00 0.00 H new ATOM 0 HD2 TYR A 42 21.560 41.521 28.051 1.00 0.00 H new ATOM 0 HE1 TYR A 42 19.504 45.940 27.056 1.00 0.00 H new ATOM 0 HE2 TYR A 42 20.784 42.974 29.911 1.00 0.00 H new ATOM 0 HH TYR A 42 19.862 44.904 30.488 1.00 0.00 H new ATOM 666 N ALA A 43 24.004 44.387 25.301 1.00 0.00 N ATOM 667 CA ALA A 43 25.269 44.929 25.824 1.00 0.00 C ATOM 668 C ALA A 43 26.530 44.337 25.134 1.00 0.00 C ATOM 669 O ALA A 43 27.595 44.216 25.741 1.00 0.00 O ATOM 670 CB ALA A 43 25.281 44.826 27.360 1.00 0.00 C ATOM 0 H ALA A 43 23.334 45.109 25.037 1.00 0.00 H new ATOM 0 HA ALA A 43 25.321 45.987 25.566 1.00 0.00 H new ATOM 0 HB1 ALA A 43 26.218 45.228 27.744 1.00 0.00 H new ATOM 0 HB2 ALA A 43 24.447 45.396 27.769 1.00 0.00 H new ATOM 0 HB3 ALA A 43 25.186 43.781 27.655 1.00 0.00 H new ATOM 676 N PHE A 44 26.408 43.946 23.857 1.00 0.00 N ATOM 677 CA PHE A 44 27.451 43.280 23.052 1.00 0.00 C ATOM 678 C PHE A 44 27.914 41.907 23.593 1.00 0.00 C ATOM 679 O PHE A 44 29.048 41.477 23.354 1.00 0.00 O ATOM 680 CB PHE A 44 28.578 44.267 22.693 1.00 0.00 C ATOM 681 CG PHE A 44 28.081 45.507 21.967 1.00 0.00 C ATOM 682 CD1 PHE A 44 28.078 45.546 20.559 1.00 0.00 C ATOM 683 CD2 PHE A 44 27.592 46.612 22.694 1.00 0.00 C ATOM 684 CE1 PHE A 44 27.597 46.682 19.883 1.00 0.00 C ATOM 685 CE2 PHE A 44 27.107 47.746 22.017 1.00 0.00 C ATOM 686 CZ PHE A 44 27.110 47.782 20.612 1.00 0.00 C ATOM 0 H PHE A 44 25.545 44.090 23.332 1.00 0.00 H new ATOM 0 HA PHE A 44 26.989 42.989 22.109 1.00 0.00 H new ATOM 0 HB2 PHE A 44 29.091 44.570 23.606 1.00 0.00 H new ATOM 0 HB3 PHE A 44 29.312 43.758 22.068 1.00 0.00 H new ATOM 0 HD1 PHE A 44 28.446 44.701 19.996 1.00 0.00 H new ATOM 0 HD2 PHE A 44 27.590 46.588 23.774 1.00 0.00 H new ATOM 0 HE1 PHE A 44 27.602 46.710 18.803 1.00 0.00 H new ATOM 0 HE2 PHE A 44 26.732 48.590 22.577 1.00 0.00 H new ATOM 0 HZ PHE A 44 26.739 48.653 20.093 1.00 0.00 H new ATOM 696 N ALA A 45 27.022 41.194 24.291 1.00 0.00 N ATOM 697 CA ALA A 45 27.153 39.788 24.683 1.00 0.00 C ATOM 698 C ALA A 45 25.809 39.049 24.486 1.00 0.00 C ATOM 699 O ALA A 45 24.737 39.654 24.577 1.00 0.00 O ATOM 700 CB ALA A 45 27.668 39.707 26.126 1.00 0.00 C ATOM 0 H ALA A 45 26.145 41.604 24.613 1.00 0.00 H new ATOM 0 HA ALA A 45 27.881 39.287 24.045 1.00 0.00 H new ATOM 0 HB1 ALA A 45 27.766 38.662 26.419 1.00 0.00 H new ATOM 0 HB2 ALA A 45 28.640 40.195 26.193 1.00 0.00 H new ATOM 0 HB3 ALA A 45 26.964 40.206 26.792 1.00 0.00 H new ATOM 706 N CYS A 46 25.824 37.750 24.181 1.00 0.00 N ATOM 707 CA CYS A 46 24.576 37.022 23.909 1.00 0.00 C ATOM 708 C CYS A 46 23.766 36.700 25.184 1.00 0.00 C ATOM 709 O CYS A 46 24.321 36.314 26.215 1.00 0.00 O ATOM 710 CB CYS A 46 24.860 35.755 23.101 1.00 0.00 C ATOM 711 SG CYS A 46 25.508 36.007 21.425 1.00 0.00 S ATOM 0 H CYS A 46 26.671 37.185 24.116 1.00 0.00 H new ATOM 0 HA CYS A 46 23.949 37.688 23.316 1.00 0.00 H new ATOM 0 HB2 CYS A 46 25.573 35.146 23.657 1.00 0.00 H new ATOM 0 HB3 CYS A 46 23.937 35.179 23.029 1.00 0.00 H new ATOM 716 N TRP A 47 22.438 36.799 25.080 1.00 0.00 N ATOM 717 CA TRP A 47 21.460 36.538 26.143 1.00 0.00 C ATOM 718 C TRP A 47 20.357 35.604 25.617 1.00 0.00 C ATOM 719 O TRP A 47 19.711 35.893 24.609 1.00 0.00 O ATOM 720 CB TRP A 47 20.911 37.889 26.627 1.00 0.00 C ATOM 721 CG TRP A 47 19.993 37.880 27.815 1.00 0.00 C ATOM 722 CD1 TRP A 47 18.653 38.041 27.768 1.00 0.00 C ATOM 723 CD2 TRP A 47 20.324 37.783 29.237 1.00 0.00 C ATOM 724 NE1 TRP A 47 18.140 38.091 29.050 1.00 0.00 N ATOM 725 CE2 TRP A 47 19.124 37.922 29.997 1.00 0.00 C ATOM 726 CE3 TRP A 47 21.522 37.635 29.966 1.00 0.00 C ATOM 727 CZ2 TRP A 47 19.112 37.906 31.400 1.00 0.00 C ATOM 728 CZ3 TRP A 47 21.525 37.607 31.377 1.00 0.00 C ATOM 729 CH2 TRP A 47 20.323 37.739 32.094 1.00 0.00 C ATOM 0 H TRP A 47 21.991 37.078 24.207 1.00 0.00 H new ATOM 0 HA TRP A 47 21.921 36.030 26.991 1.00 0.00 H new ATOM 0 HB2 TRP A 47 21.759 38.532 26.863 1.00 0.00 H new ATOM 0 HB3 TRP A 47 20.380 38.353 25.796 1.00 0.00 H new ATOM 0 HD1 TRP A 47 18.069 38.119 26.863 1.00 0.00 H new ATOM 0 HE1 TRP A 47 17.154 38.235 29.268 1.00 0.00 H new ATOM 0 HE3 TRP A 47 22.457 37.541 29.433 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 18.184 38.021 31.940 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 22.457 37.483 31.909 1.00 0.00 H new ATOM 0 HH2 TRP A 47 20.330 37.712 33.174 1.00 0.00 H new ATOM 740 N CYS A 48 20.180 34.448 26.251 1.00 0.00 N ATOM 741 CA CYS A 48 19.221 33.411 25.874 1.00 0.00 C ATOM 742 C CYS A 48 17.834 33.646 26.494 1.00 0.00 C ATOM 743 O CYS A 48 17.723 34.105 27.633 1.00 0.00 O ATOM 744 CB CYS A 48 19.764 32.057 26.327 1.00 0.00 C ATOM 745 SG CYS A 48 21.233 31.430 25.470 1.00 0.00 S ATOM 0 H CYS A 48 20.724 34.197 27.077 1.00 0.00 H new ATOM 0 HA CYS A 48 19.097 33.438 24.791 1.00 0.00 H new ATOM 0 HB2 CYS A 48 19.995 32.123 27.390 1.00 0.00 H new ATOM 0 HB3 CYS A 48 18.968 31.320 26.219 1.00 0.00 H new ATOM 750 N THR A 49 16.777 33.258 25.777 1.00 0.00 N ATOM 751 CA THR A 49 15.373 33.447 26.180 1.00 0.00 C ATOM 752 C THR A 49 14.568 32.153 26.143 1.00 0.00 C ATOM 753 O THR A 49 14.910 31.205 25.433 1.00 0.00 O ATOM 754 CB THR A 49 14.658 34.525 25.343 1.00 0.00 C ATOM 755 OG1 THR A 49 14.458 34.117 24.003 1.00 0.00 O ATOM 756 CG2 THR A 49 15.404 35.854 25.306 1.00 0.00 C ATOM 0 H THR A 49 16.872 32.791 24.875 1.00 0.00 H new ATOM 0 HA THR A 49 15.421 33.788 27.214 1.00 0.00 H new ATOM 0 HB THR A 49 13.701 34.662 25.847 1.00 0.00 H new ATOM 0 HG1 THR A 49 13.548 33.767 23.900 1.00 0.00 H new ATOM 0 HG21 THR A 49 14.846 36.568 24.700 1.00 0.00 H new ATOM 0 HG22 THR A 49 15.508 36.241 26.320 1.00 0.00 H new ATOM 0 HG23 THR A 49 16.393 35.704 24.872 1.00 0.00 H new ATOM 764 N HIS A 50 13.466 32.128 26.897 1.00 0.00 N ATOM 765 CA HIS A 50 12.487 31.030 26.935 1.00 0.00 C ATOM 766 C HIS A 50 13.098 29.675 27.335 1.00 0.00 C ATOM 767 O HIS A 50 12.709 28.628 26.812 1.00 0.00 O ATOM 768 CB HIS A 50 11.675 30.963 25.627 1.00 0.00 C ATOM 769 CG HIS A 50 11.064 32.272 25.209 1.00 0.00 C ATOM 770 ND1 HIS A 50 11.673 33.228 24.391 1.00 0.00 N ATOM 771 CD2 HIS A 50 9.848 32.741 25.601 1.00 0.00 C ATOM 772 CE1 HIS A 50 10.811 34.253 24.319 1.00 0.00 C ATOM 773 NE2 HIS A 50 9.703 33.983 25.031 1.00 0.00 N ATOM 0 H HIS A 50 13.219 32.897 27.521 1.00 0.00 H new ATOM 0 HA HIS A 50 11.788 31.262 27.738 1.00 0.00 H new ATOM 0 HB2 HIS A 50 12.325 30.607 24.828 1.00 0.00 H new ATOM 0 HB3 HIS A 50 10.881 30.226 25.744 1.00 0.00 H new ATOM 0 HD2 HIS A 50 9.136 32.236 26.236 1.00 0.00 H new ATOM 0 HE1 HIS A 50 10.983 35.166 23.767 1.00 0.00 H new ATOM 0 HE2 HIS A 50 8.893 34.595 25.131 1.00 0.00 H new ATOM 781 N LEU A 51 14.118 29.676 28.197 1.00 0.00 N ATOM 782 CA LEU A 51 14.765 28.461 28.694 1.00 0.00 C ATOM 783 C LEU A 51 13.984 27.840 29.868 1.00 0.00 C ATOM 784 O LEU A 51 13.062 28.444 30.432 1.00 0.00 O ATOM 785 CB LEU A 51 16.216 28.757 29.130 1.00 0.00 C ATOM 786 CG LEU A 51 17.154 29.415 28.102 1.00 0.00 C ATOM 787 CD1 LEU A 51 18.514 29.629 28.771 1.00 0.00 C ATOM 788 CD2 LEU A 51 17.364 28.542 26.863 1.00 0.00 C ATOM 0 H LEU A 51 14.523 30.533 28.574 1.00 0.00 H new ATOM 0 HA LEU A 51 14.776 27.742 27.875 1.00 0.00 H new ATOM 0 HB2 LEU A 51 16.177 29.401 30.008 1.00 0.00 H new ATOM 0 HB3 LEU A 51 16.670 27.817 29.444 1.00 0.00 H new ATOM 0 HG LEU A 51 16.699 30.352 27.780 1.00 0.00 H new ATOM 0 HD11 LEU A 51 19.199 30.095 28.062 1.00 0.00 H new ATOM 0 HD12 LEU A 51 18.394 30.277 29.640 1.00 0.00 H new ATOM 0 HD13 LEU A 51 18.919 28.668 29.088 1.00 0.00 H new ATOM 0 HD21 LEU A 51 18.033 29.051 26.169 1.00 0.00 H new ATOM 0 HD22 LEU A 51 17.804 27.590 27.159 1.00 0.00 H new ATOM 0 HD23 LEU A 51 16.405 28.363 26.377 1.00 0.00 H new ATOM 800 N TYR A 52 14.391 26.631 30.252 1.00 0.00 N ATOM 801 CA TYR A 52 13.986 25.952 31.485 1.00 0.00 C ATOM 802 C TYR A 52 14.349 26.735 32.767 1.00 0.00 C ATOM 803 O TYR A 52 15.168 27.656 32.747 1.00 0.00 O ATOM 804 CB TYR A 52 14.606 24.536 31.496 1.00 0.00 C ATOM 805 CG TYR A 52 16.115 24.346 31.288 1.00 0.00 C ATOM 806 CD1 TYR A 52 17.045 25.412 31.237 1.00 0.00 C ATOM 807 CD2 TYR A 52 16.591 23.031 31.114 1.00 0.00 C ATOM 808 CE1 TYR A 52 18.409 25.162 30.992 1.00 0.00 C ATOM 809 CE2 TYR A 52 17.956 22.776 30.877 1.00 0.00 C ATOM 810 CZ TYR A 52 18.872 23.844 30.807 1.00 0.00 C ATOM 811 OH TYR A 52 20.189 23.616 30.555 1.00 0.00 O ATOM 0 H TYR A 52 15.037 26.075 29.692 1.00 0.00 H new ATOM 0 HA TYR A 52 12.898 25.887 31.491 1.00 0.00 H new ATOM 0 HB2 TYR A 52 14.353 24.081 32.454 1.00 0.00 H new ATOM 0 HB3 TYR A 52 14.099 23.957 30.724 1.00 0.00 H new ATOM 0 HD1 TYR A 52 16.705 26.426 31.387 1.00 0.00 H new ATOM 0 HD2 TYR A 52 15.897 22.205 31.163 1.00 0.00 H new ATOM 0 HE1 TYR A 52 19.105 25.986 30.946 1.00 0.00 H new ATOM 0 HE2 TYR A 52 18.301 21.761 30.749 1.00 0.00 H new ATOM 0 HH TYR A 52 20.341 22.653 30.454 1.00 0.00 H new ATOM 821 N GLU A 53 13.811 26.329 33.922 1.00 0.00 N ATOM 822 CA GLU A 53 14.250 26.857 35.232 1.00 0.00 C ATOM 823 C GLU A 53 15.751 26.638 35.502 1.00 0.00 C ATOM 824 O GLU A 53 16.367 27.409 36.235 1.00 0.00 O ATOM 825 CB GLU A 53 13.433 26.215 36.370 1.00 0.00 C ATOM 826 CG GLU A 53 11.968 26.664 36.408 1.00 0.00 C ATOM 827 CD GLU A 53 11.826 28.175 36.624 1.00 0.00 C ATOM 828 OE1 GLU A 53 12.211 28.689 37.710 1.00 0.00 O ATOM 829 OE2 GLU A 53 11.328 28.859 35.703 1.00 0.00 O1- ATOM 0 H GLU A 53 13.067 25.634 33.983 1.00 0.00 H new ATOM 0 HA GLU A 53 14.077 27.933 35.199 1.00 0.00 H new ATOM 0 HB2 GLU A 53 13.469 25.131 36.263 1.00 0.00 H new ATOM 0 HB3 GLU A 53 13.903 26.457 37.323 1.00 0.00 H new ATOM 0 HG2 GLU A 53 11.481 26.386 35.473 1.00 0.00 H new ATOM 0 HG3 GLU A 53 11.449 26.135 37.207 1.00 0.00 H new ATOM 836 N GLN A 54 16.371 25.637 34.868 1.00 0.00 N ATOM 837 CA GLN A 54 17.791 25.287 35.024 1.00 0.00 C ATOM 838 C GLN A 54 18.765 26.220 34.261 1.00 0.00 C ATOM 839 O GLN A 54 19.943 25.895 34.107 1.00 0.00 O ATOM 840 CB GLN A 54 18.003 23.800 34.662 1.00 0.00 C ATOM 841 CG GLN A 54 16.980 22.819 35.278 1.00 0.00 C ATOM 842 CD GLN A 54 16.808 22.942 36.793 1.00 0.00 C ATOM 843 OE1 GLN A 54 15.693 23.007 37.306 1.00 0.00 O ATOM 844 NE2 GLN A 54 17.875 23.008 37.559 1.00 0.00 N ATOM 0 H GLN A 54 15.885 25.027 34.211 1.00 0.00 H new ATOM 0 HA GLN A 54 18.043 25.441 36.073 1.00 0.00 H new ATOM 0 HB2 GLN A 54 17.971 23.699 33.577 1.00 0.00 H new ATOM 0 HB3 GLN A 54 19.003 23.504 34.980 1.00 0.00 H new ATOM 0 HG2 GLN A 54 16.012 22.978 34.802 1.00 0.00 H new ATOM 0 HG3 GLN A 54 17.287 21.800 35.043 1.00 0.00 H new ATOM 0 HE21 GLN A 54 18.805 22.955 37.144 1.00 0.00 H new ATOM 0 HE22 GLN A 54 17.772 23.112 38.568 1.00 0.00 H new ATOM 853 N ALA A 55 18.299 27.377 33.773 1.00 0.00 N ATOM 854 CA ALA A 55 19.123 28.401 33.120 1.00 0.00 C ATOM 855 C ALA A 55 20.166 29.043 34.062 1.00 0.00 C ATOM 856 O ALA A 55 20.033 28.979 35.288 1.00 0.00 O ATOM 857 CB ALA A 55 18.187 29.459 32.530 1.00 0.00 C ATOM 0 H ALA A 55 17.313 27.633 33.823 1.00 0.00 H new ATOM 0 HA ALA A 55 19.707 27.921 32.335 1.00 0.00 H new ATOM 0 HB1 ALA A 55 18.777 30.233 32.038 1.00 0.00 H new ATOM 0 HB2 ALA A 55 17.522 28.992 31.803 1.00 0.00 H new ATOM 0 HB3 ALA A 55 17.595 29.907 33.328 1.00 0.00 H new ATOM 863 N VAL A 56 21.185 29.696 33.485 1.00 0.00 N ATOM 864 CA VAL A 56 22.354 30.273 34.183 1.00 0.00 C ATOM 865 C VAL A 56 22.542 31.749 33.784 1.00 0.00 C ATOM 866 O VAL A 56 22.403 32.088 32.611 1.00 0.00 O ATOM 867 CB VAL A 56 23.613 29.424 33.889 1.00 0.00 C ATOM 868 CG1 VAL A 56 24.880 29.980 34.549 1.00 0.00 C ATOM 869 CG2 VAL A 56 23.441 27.980 34.382 1.00 0.00 C ATOM 0 H VAL A 56 21.223 29.845 32.477 1.00 0.00 H new ATOM 0 HA VAL A 56 22.184 30.251 35.259 1.00 0.00 H new ATOM 0 HB VAL A 56 23.727 29.457 32.806 1.00 0.00 H new ATOM 0 HG11 VAL A 56 25.728 29.340 34.305 1.00 0.00 H new ATOM 0 HG12 VAL A 56 25.069 30.989 34.182 1.00 0.00 H new ATOM 0 HG13 VAL A 56 24.745 30.007 35.630 1.00 0.00 H new ATOM 0 HG21 VAL A 56 24.343 27.410 34.160 1.00 0.00 H new ATOM 0 HG22 VAL A 56 23.268 27.981 35.458 1.00 0.00 H new ATOM 0 HG23 VAL A 56 22.590 27.522 33.878 1.00 0.00 H new ATOM 879 N VAL A 57 22.835 32.640 34.740 1.00 0.00 N ATOM 880 CA VAL A 57 23.095 34.081 34.495 1.00 0.00 C ATOM 881 C VAL A 57 24.600 34.387 34.349 1.00 0.00 C ATOM 882 O VAL A 57 25.378 33.499 34.002 1.00 0.00 O ATOM 883 CB VAL A 57 22.395 34.973 35.545 1.00 0.00 C ATOM 884 CG1 VAL A 57 20.877 34.798 35.517 1.00 0.00 C ATOM 885 CG2 VAL A 57 22.901 34.759 36.977 1.00 0.00 C ATOM 0 H VAL A 57 22.901 32.384 35.725 1.00 0.00 H new ATOM 0 HA VAL A 57 22.649 34.331 33.532 1.00 0.00 H new ATOM 0 HB VAL A 57 22.653 35.992 35.256 1.00 0.00 H new ATOM 0 HG11 VAL A 57 20.423 35.442 36.270 1.00 0.00 H new ATOM 0 HG12 VAL A 57 20.498 35.068 34.531 1.00 0.00 H new ATOM 0 HG13 VAL A 57 20.627 33.759 35.730 1.00 0.00 H new ATOM 0 HG21 VAL A 57 22.362 35.420 37.656 1.00 0.00 H new ATOM 0 HG22 VAL A 57 22.734 33.723 37.271 1.00 0.00 H new ATOM 0 HG23 VAL A 57 23.967 34.982 37.023 1.00 0.00 H new ATOM 895 N TRP A 58 25.026 35.637 34.572 1.00 0.00 N ATOM 896 CA TRP A 58 26.403 36.125 34.385 1.00 0.00 C ATOM 897 C TRP A 58 27.471 35.294 35.133 1.00 0.00 C ATOM 898 O TRP A 58 27.148 34.684 36.161 1.00 0.00 O ATOM 899 CB TRP A 58 26.489 37.597 34.821 1.00 0.00 C ATOM 900 CG TRP A 58 25.338 38.458 34.403 1.00 0.00 C ATOM 901 CD1 TRP A 58 25.224 39.100 33.220 1.00 0.00 C ATOM 902 CD2 TRP A 58 24.109 38.749 35.135 1.00 0.00 C ATOM 903 NE1 TRP A 58 23.998 39.729 33.148 1.00 0.00 N ATOM 904 CE2 TRP A 58 23.273 39.558 34.309 1.00 0.00 C ATOM 905 CE3 TRP A 58 23.630 38.429 36.424 1.00 0.00 C ATOM 906 CZ2 TRP A 58 22.016 40.011 34.737 1.00 0.00 C ATOM 907 CZ3 TRP A 58 22.370 38.880 36.860 1.00 0.00 C ATOM 908 CH2 TRP A 58 21.560 39.661 36.018 1.00 0.00 C ATOM 0 H TRP A 58 24.396 36.368 34.902 1.00 0.00 H new ATOM 0 HA TRP A 58 26.627 36.020 33.323 1.00 0.00 H new ATOM 0 HB2 TRP A 58 26.572 37.632 35.907 1.00 0.00 H new ATOM 0 HB3 TRP A 58 27.407 38.025 34.417 1.00 0.00 H new ATOM 0 HD1 TRP A 58 25.978 39.118 32.447 1.00 0.00 H new ATOM 0 HE1 TRP A 58 23.669 40.254 32.338 1.00 0.00 H new ATOM 0 HE3 TRP A 58 24.239 37.830 37.085 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 21.406 40.622 34.088 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 22.023 38.624 37.850 1.00 0.00 H new ATOM 0 HH2 TRP A 58 20.589 39.991 36.356 1.00 0.00 H new ATOM 919 N PRO A 59 28.738 35.282 34.665 1.00 0.00 N ATOM 920 CA PRO A 59 29.788 34.406 35.193 1.00 0.00 C ATOM 921 C PRO A 59 29.998 34.476 36.712 1.00 0.00 C ATOM 922 O PRO A 59 29.723 35.494 37.359 1.00 0.00 O ATOM 923 CB PRO A 59 31.069 34.788 34.441 1.00 0.00 C ATOM 924 CG PRO A 59 30.550 35.317 33.108 1.00 0.00 C ATOM 925 CD PRO A 59 29.249 36.010 33.507 1.00 0.00 C ATOM 0 HA PRO A 59 29.491 33.370 35.032 1.00 0.00 H new ATOM 0 HB2 PRO A 59 31.640 35.545 34.979 1.00 0.00 H new ATOM 0 HB3 PRO A 59 31.726 33.929 34.304 1.00 0.00 H new ATOM 0 HG2 PRO A 59 31.253 36.010 32.646 1.00 0.00 H new ATOM 0 HG3 PRO A 59 30.378 34.513 32.392 1.00 0.00 H new ATOM 0 HD2 PRO A 59 29.425 37.057 33.752 1.00 0.00 H new ATOM 0 HD3 PRO A 59 28.531 35.991 32.687 1.00 0.00 H new ATOM 933 N LEU A 60 30.509 33.389 37.288 1.00 0.00 N ATOM 934 CA LEU A 60 30.933 33.342 38.691 1.00 0.00 C ATOM 935 C LEU A 60 32.329 33.986 38.834 1.00 0.00 C ATOM 936 O LEU A 60 33.216 33.652 38.046 1.00 0.00 O ATOM 937 CB LEU A 60 30.951 31.886 39.198 1.00 0.00 C ATOM 938 CG LEU A 60 29.567 31.286 39.527 1.00 0.00 C ATOM 939 CD1 LEU A 60 28.711 30.982 38.294 1.00 0.00 C ATOM 940 CD2 LEU A 60 29.759 29.973 40.290 1.00 0.00 C ATOM 0 H LEU A 60 30.642 32.508 36.792 1.00 0.00 H new ATOM 0 HA LEU A 60 30.223 33.903 39.298 1.00 0.00 H new ATOM 0 HB2 LEU A 60 31.430 31.262 38.444 1.00 0.00 H new ATOM 0 HB3 LEU A 60 31.572 31.838 40.093 1.00 0.00 H new ATOM 0 HG LEU A 60 29.044 32.041 40.114 1.00 0.00 H new ATOM 0 HD11 LEU A 60 27.755 30.563 38.609 1.00 0.00 H new ATOM 0 HD12 LEU A 60 28.538 31.902 37.735 1.00 0.00 H new ATOM 0 HD13 LEU A 60 29.230 30.264 37.659 1.00 0.00 H new ATOM 0 HD21 LEU A 60 28.785 29.543 40.526 1.00 0.00 H new ATOM 0 HD22 LEU A 60 30.325 29.274 39.674 1.00 0.00 H new ATOM 0 HD23 LEU A 60 30.304 30.166 41.214 1.00 0.00 H new ATOM 952 N PRO A 61 32.594 34.817 39.865 1.00 0.00 N ATOM 953 CA PRO A 61 33.900 35.468 40.062 1.00 0.00 C ATOM 954 C PRO A 61 35.061 34.473 40.252 1.00 0.00 C ATOM 955 O PRO A 61 36.217 34.793 39.977 1.00 0.00 O ATOM 956 CB PRO A 61 33.720 36.370 41.291 1.00 0.00 C ATOM 957 CG PRO A 61 32.577 35.712 42.063 1.00 0.00 C ATOM 958 CD PRO A 61 31.687 35.169 40.948 1.00 0.00 C ATOM 0 HA PRO A 61 34.182 36.031 39.172 1.00 0.00 H new ATOM 0 HB2 PRO A 61 34.630 36.418 41.888 1.00 0.00 H new ATOM 0 HB3 PRO A 61 33.473 37.392 41.004 1.00 0.00 H new ATOM 0 HG2 PRO A 61 32.935 34.918 42.718 1.00 0.00 H new ATOM 0 HG3 PRO A 61 32.047 36.428 42.691 1.00 0.00 H new ATOM 0 HD2 PRO A 61 31.122 34.300 41.285 1.00 0.00 H new ATOM 0 HD3 PRO A 61 30.962 35.916 40.626 1.00 0.00 H new ATOM 966 N ASN A 62 34.752 33.240 40.666 1.00 0.00 N ATOM 967 CA ASN A 62 35.675 32.110 40.727 1.00 0.00 C ATOM 968 C ASN A 62 36.258 31.710 39.353 1.00 0.00 C ATOM 969 O ASN A 62 37.436 31.359 39.263 1.00 0.00 O ATOM 970 CB ASN A 62 34.906 30.930 41.346 1.00 0.00 C ATOM 971 CG ASN A 62 34.611 31.125 42.825 1.00 0.00 C ATOM 972 OD1 ASN A 62 33.848 31.996 43.230 1.00 0.00 O ATOM 973 ND2 ASN A 62 35.218 30.326 43.667 1.00 0.00 N ATOM 0 H ASN A 62 33.813 32.996 40.980 1.00 0.00 H new ATOM 0 HA ASN A 62 36.536 32.398 41.330 1.00 0.00 H new ATOM 0 HB2 ASN A 62 33.968 30.793 40.809 1.00 0.00 H new ATOM 0 HB3 ASN A 62 35.485 30.016 41.214 1.00 0.00 H new ATOM 0 HD21 ASN A 62 35.058 30.425 44.670 1.00 0.00 H new ATOM 0 HD22 ASN A 62 35.851 29.605 43.320 1.00 0.00 H new ATOM 980 N LYS A 63 35.453 31.773 38.284 1.00 0.00 N ATOM 981 CA LYS A 63 35.780 31.321 36.916 1.00 0.00 C ATOM 982 C LYS A 63 36.640 32.345 36.145 1.00 0.00 C ATOM 983 O LYS A 63 36.241 32.868 35.102 1.00 0.00 O ATOM 984 CB LYS A 63 34.475 30.945 36.176 1.00 0.00 C ATOM 985 CG LYS A 63 33.755 29.707 36.748 1.00 0.00 C ATOM 986 CD LYS A 63 34.366 28.383 36.262 1.00 0.00 C ATOM 987 CE LYS A 63 33.564 27.200 36.819 1.00 0.00 C ATOM 988 NZ LYS A 63 33.962 25.924 36.185 1.00 0.00 N1+ ATOM 0 H LYS A 63 34.511 32.158 38.348 1.00 0.00 H new ATOM 0 HA LYS A 63 36.404 30.429 36.980 1.00 0.00 H new ATOM 0 HB2 LYS A 63 33.794 31.795 36.211 1.00 0.00 H new ATOM 0 HB3 LYS A 63 34.706 30.764 35.126 1.00 0.00 H new ATOM 0 HG2 LYS A 63 33.793 29.741 37.837 1.00 0.00 H new ATOM 0 HG3 LYS A 63 32.703 29.742 36.465 1.00 0.00 H new ATOM 0 HD2 LYS A 63 34.367 28.352 35.172 1.00 0.00 H new ATOM 0 HD3 LYS A 63 35.405 28.312 36.584 1.00 0.00 H new ATOM 0 HE2 LYS A 63 33.714 27.134 37.897 1.00 0.00 H new ATOM 0 HE3 LYS A 63 32.500 27.372 36.655 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 33.365 25.154 36.549 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 33.843 25.997 35.154 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 34.958 25.723 36.406 1.00 0.00 H new ATOM 1002 N ARG A 64 37.811 32.688 36.692 1.00 0.00 N ATOM 1003 CA ARG A 64 38.737 33.718 36.177 1.00 0.00 C ATOM 1004 C ARG A 64 39.368 33.320 34.832 1.00 0.00 C ATOM 1005 O ARG A 64 40.315 32.536 34.803 1.00 0.00 O ATOM 1006 CB ARG A 64 39.803 33.998 37.247 1.00 0.00 C ATOM 1007 CG ARG A 64 40.769 35.115 36.811 1.00 0.00 C ATOM 1008 CD ARG A 64 41.636 35.590 37.978 1.00 0.00 C ATOM 1009 NE ARG A 64 40.829 36.307 38.974 1.00 0.00 N ATOM 1010 CZ ARG A 64 41.257 37.039 39.983 1.00 0.00 C ATOM 1011 NH1 ARG A 64 42.520 37.186 40.277 1.00 0.00 N1+ ATOM 1012 NH2 ARG A 64 40.366 37.636 40.714 1.00 0.00 N ATOM 0 H ARG A 64 38.159 32.241 37.540 1.00 0.00 H new ATOM 0 HA ARG A 64 38.174 34.630 35.976 1.00 0.00 H new ATOM 0 HB2 ARG A 64 39.316 34.282 38.180 1.00 0.00 H new ATOM 0 HB3 ARG A 64 40.367 33.087 37.446 1.00 0.00 H new ATOM 0 HG2 ARG A 64 41.407 34.752 36.006 1.00 0.00 H new ATOM 0 HG3 ARG A 64 40.200 35.955 36.413 1.00 0.00 H new ATOM 0 HD2 ARG A 64 42.123 34.734 38.446 1.00 0.00 H new ATOM 0 HD3 ARG A 64 42.426 36.242 37.607 1.00 0.00 H new ATOM 0 HE ARG A 64 39.817 36.229 38.873 1.00 0.00 H new ATOM 0 HH11 ARG A 64 43.232 36.722 39.713 1.00 0.00 H new ATOM 0 HH12 ARG A 64 42.795 37.765 41.070 1.00 0.00 H new ATOM 0 HH21 ARG A 64 39.375 37.529 40.498 1.00 0.00 H new ATOM 0 HH22 ARG A 64 40.657 38.212 41.504 1.00 0.00 H new ATOM 1026 N CYS A 65 38.890 33.899 33.732 1.00 0.00 N ATOM 1027 CA CYS A 65 39.399 33.624 32.388 1.00 0.00 C ATOM 1028 C CYS A 65 40.826 34.176 32.180 1.00 0.00 C ATOM 1029 O CYS A 65 41.099 35.349 32.467 1.00 0.00 O ATOM 1030 CB CYS A 65 38.402 34.167 31.353 1.00 0.00 C ATOM 1031 SG CYS A 65 38.808 33.728 29.643 1.00 0.00 S ATOM 0 H CYS A 65 38.130 34.580 33.748 1.00 0.00 H new ATOM 0 HA CYS A 65 39.486 32.546 32.256 1.00 0.00 H new ATOM 0 HB2 CYS A 65 37.407 33.789 31.588 1.00 0.00 H new ATOM 0 HB3 CYS A 65 38.359 35.253 31.439 1.00 0.00 H new ATOM 1036 N LYS A 66 41.736 33.329 31.671 1.00 0.00 N ATOM 1037 CA LYS A 66 43.143 33.643 31.348 1.00 0.00 C ATOM 1038 C LYS A 66 43.950 34.195 32.541 1.00 0.00 C ATOM 1039 O LYS A 66 44.824 35.046 32.390 1.00 0.00 O ATOM 1040 CB LYS A 66 43.220 34.489 30.057 1.00 0.00 C ATOM 1041 CG LYS A 66 42.715 33.706 28.827 1.00 0.00 C ATOM 1042 CD LYS A 66 42.641 34.550 27.545 1.00 0.00 C ATOM 1043 CE LYS A 66 41.495 35.569 27.602 1.00 0.00 C ATOM 1044 NZ LYS A 66 41.431 36.388 26.368 1.00 0.00 N1+ ATOM 0 H LYS A 66 41.502 32.358 31.462 1.00 0.00 H new ATOM 0 HA LYS A 66 43.657 32.705 31.136 1.00 0.00 H new ATOM 0 HB2 LYS A 66 42.626 35.395 30.180 1.00 0.00 H new ATOM 0 HB3 LYS A 66 44.250 34.804 29.890 1.00 0.00 H new ATOM 0 HG2 LYS A 66 43.374 32.855 28.654 1.00 0.00 H new ATOM 0 HG3 LYS A 66 41.725 33.304 29.044 1.00 0.00 H new ATOM 0 HD2 LYS A 66 43.586 35.073 27.398 1.00 0.00 H new ATOM 0 HD3 LYS A 66 42.503 33.895 26.685 1.00 0.00 H new ATOM 0 HE2 LYS A 66 40.549 35.046 27.742 1.00 0.00 H new ATOM 0 HE3 LYS A 66 41.629 36.221 28.465 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 40.645 37.065 26.441 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 42.325 36.906 26.248 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 41.278 35.768 25.547 1.00 0.00 H new HETATM 1058 N NH2 A 67 43.655 33.738 33.750 1.00 0.00 N TER 1061 NH2 A 67