USER MOD reduce.3.24.130724 H: found=0, std=0, add=424, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 421 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 Single : A 1 GLU N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 SER OG : rot 25:sc= 1.2 USER MOD Single : A 9 ASN : amide:sc= -1.03! C(o=-1!,f=-2.6!) USER MOD Single : A 10 GLN : amide:sc= -2.63! K(o=-2.6!,f=-1) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 HIS : no HE2:sc= -10.5! C(o=-11!,f=-10!) USER MOD Single : A 27 THR OG1 : rot 119:sc= -0.907! USER MOD Single : A 29 LYS NZ :NH3+ -125:sc= -0.034 (180deg=-0.0874) USER MOD Single : A 32 ASN : amide:sc= -8.27! C(o=-8.3!,f=-7.6!) USER MOD Single : A 33 ASN : amide:sc= -1.09 K(o=-1.1,f=-0.32) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 GLN : amide:sc= -1.25 K(o=-1.3,f=0) USER MOD Single : A 57 CYS SG : rot 42:sc= -0.239 USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 5.159 -10.690 23.617 1.00 0.00 N ATOM 2 CA GLU A 1 5.984 -10.117 22.567 1.00 0.00 C ATOM 3 C GLU A 1 5.311 -8.874 21.982 1.00 0.00 C ATOM 4 O GLU A 1 5.910 -7.800 21.943 1.00 0.00 O ATOM 5 CB GLU A 1 6.276 -11.147 21.475 1.00 0.00 C ATOM 6 CG GLU A 1 7.779 -11.258 21.213 1.00 0.00 C ATOM 7 CD GLU A 1 8.456 -12.134 22.269 1.00 0.00 C ATOM 8 OE1 GLU A 1 8.568 -11.654 23.418 1.00 0.00 O ATOM 9 OE2 GLU A 1 8.847 -13.264 21.904 1.00 0.00 O ATOM 0 H1 GLU A 1 5.628 -11.533 24.006 1.00 0.00 H new ATOM 0 H2 GLU A 1 5.024 -9.989 24.374 1.00 0.00 H new ATOM 0 H3 GLU A 1 4.234 -10.958 23.224 1.00 0.00 H new ATOM 0 HA GLU A 1 6.937 -9.819 23.003 1.00 0.00 H new ATOM 0 HB2 GLU A 1 5.882 -12.119 21.772 1.00 0.00 H new ATOM 0 HB3 GLU A 1 5.763 -10.863 20.556 1.00 0.00 H new ATOM 0 HG2 GLU A 1 7.949 -11.679 20.222 1.00 0.00 H new ATOM 0 HG3 GLU A 1 8.227 -10.264 21.218 1.00 0.00 H new ATOM 16 N GLU A 2 4.075 -9.060 21.542 1.00 0.00 N ATOM 17 CA GLU A 2 3.315 -7.967 20.961 1.00 0.00 C ATOM 18 C GLU A 2 4.098 -7.327 19.814 1.00 0.00 C ATOM 19 O GLU A 2 5.041 -6.573 20.046 1.00 0.00 O ATOM 20 CB GLU A 2 2.950 -6.928 22.023 1.00 0.00 C ATOM 21 CG GLU A 2 1.488 -7.070 22.451 1.00 0.00 C ATOM 22 CD GLU A 2 1.315 -6.734 23.934 1.00 0.00 C ATOM 23 OE1 GLU A 2 2.048 -7.343 24.742 1.00 0.00 O ATOM 24 OE2 GLU A 2 0.453 -5.877 24.224 1.00 0.00 O ATOM 0 H GLU A 2 3.581 -9.952 21.576 1.00 0.00 H new ATOM 0 HA GLU A 2 2.385 -8.370 20.559 1.00 0.00 H new ATOM 0 HB2 GLU A 2 3.599 -7.046 22.890 1.00 0.00 H new ATOM 0 HB3 GLU A 2 3.122 -5.926 21.630 1.00 0.00 H new ATOM 0 HG2 GLU A 2 0.864 -6.409 21.850 1.00 0.00 H new ATOM 0 HG3 GLU A 2 1.148 -8.088 22.263 1.00 0.00 H new ATOM 31 N TYR A 3 3.677 -7.650 18.600 1.00 0.00 N ATOM 32 CA TYR A 3 4.327 -7.116 17.415 1.00 0.00 C ATOM 33 C TYR A 3 3.490 -7.384 16.162 1.00 0.00 C ATOM 34 O TYR A 3 2.884 -8.447 16.032 1.00 0.00 O ATOM 35 CB TYR A 3 5.659 -7.860 17.293 1.00 0.00 C ATOM 36 CG TYR A 3 6.784 -7.024 16.681 1.00 0.00 C ATOM 37 CD1 TYR A 3 6.696 -6.603 15.369 1.00 0.00 C ATOM 38 CD2 TYR A 3 7.888 -6.691 17.439 1.00 0.00 C ATOM 39 CE1 TYR A 3 7.755 -5.816 14.793 1.00 0.00 C ATOM 40 CE2 TYR A 3 8.947 -5.905 16.862 1.00 0.00 C ATOM 41 CZ TYR A 3 8.829 -5.506 15.568 1.00 0.00 C ATOM 42 OH TYR A 3 9.829 -4.763 15.023 1.00 0.00 O ATOM 0 H TYR A 3 2.893 -8.275 18.411 1.00 0.00 H new ATOM 0 HA TYR A 3 4.457 -6.037 17.502 1.00 0.00 H new ATOM 0 HB2 TYR A 3 5.967 -8.197 18.283 1.00 0.00 H new ATOM 0 HB3 TYR A 3 5.511 -8.752 16.685 1.00 0.00 H new ATOM 0 HD1 TYR A 3 5.833 -6.864 14.775 1.00 0.00 H new ATOM 0 HD2 TYR A 3 7.958 -7.020 18.465 1.00 0.00 H new ATOM 0 HE1 TYR A 3 7.698 -5.479 13.768 1.00 0.00 H new ATOM 0 HE2 TYR A 3 9.816 -5.638 17.445 1.00 0.00 H new ATOM 0 HH TYR A 3 10.530 -4.618 15.692 1.00 0.00 H new ATOM 52 N VAL A 4 3.484 -6.403 15.272 1.00 0.00 N ATOM 53 CA VAL A 4 2.732 -6.520 14.035 1.00 0.00 C ATOM 54 C VAL A 4 2.982 -5.281 13.172 1.00 0.00 C ATOM 55 O VAL A 4 2.908 -4.154 13.661 1.00 0.00 O ATOM 56 CB VAL A 4 1.250 -6.745 14.342 1.00 0.00 C ATOM 57 CG1 VAL A 4 0.686 -5.601 15.187 1.00 0.00 C ATOM 58 CG2 VAL A 4 0.444 -6.924 13.054 1.00 0.00 C ATOM 0 H VAL A 4 3.988 -5.523 15.383 1.00 0.00 H new ATOM 0 HA VAL A 4 3.067 -7.387 13.465 1.00 0.00 H new ATOM 0 HB VAL A 4 1.164 -7.664 14.921 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -0.369 -5.785 15.391 1.00 0.00 H new ATOM 0 HG12 VAL A 4 1.233 -5.540 16.128 1.00 0.00 H new ATOM 0 HG13 VAL A 4 0.792 -4.662 14.645 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -0.606 -7.082 13.301 1.00 0.00 H new ATOM 0 HG22 VAL A 4 0.541 -6.031 12.437 1.00 0.00 H new ATOM 0 HG23 VAL A 4 0.822 -7.787 12.505 1.00 0.00 H new ATOM 68 N GLY A 5 3.275 -5.531 11.904 1.00 0.00 N ATOM 69 CA GLY A 5 3.536 -4.450 10.969 1.00 0.00 C ATOM 70 C GLY A 5 2.233 -3.908 10.380 1.00 0.00 C ATOM 71 O GLY A 5 2.236 -3.304 9.308 1.00 0.00 O ATOM 0 H GLY A 5 3.337 -6.467 11.502 1.00 0.00 H new ATOM 0 HA2 GLY A 5 4.072 -3.647 11.476 1.00 0.00 H new ATOM 0 HA3 GLY A 5 4.181 -4.807 10.166 1.00 0.00 H new ATOM 75 N LEU A 6 1.150 -4.142 11.106 1.00 0.00 N ATOM 76 CA LEU A 6 -0.158 -3.684 10.668 1.00 0.00 C ATOM 77 C LEU A 6 -0.009 -2.343 9.947 1.00 0.00 C ATOM 78 O LEU A 6 0.091 -1.297 10.587 1.00 0.00 O ATOM 79 CB LEU A 6 -1.133 -3.643 11.847 1.00 0.00 C ATOM 80 CG LEU A 6 -2.511 -4.260 11.598 1.00 0.00 C ATOM 81 CD1 LEU A 6 -2.969 -5.082 12.804 1.00 0.00 C ATOM 82 CD2 LEU A 6 -3.532 -3.186 11.216 1.00 0.00 C ATOM 0 H LEU A 6 1.151 -4.643 11.995 1.00 0.00 H new ATOM 0 HA LEU A 6 -0.587 -4.385 9.952 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -0.674 -4.157 12.691 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -1.270 -2.603 12.144 1.00 0.00 H new ATOM 0 HG LEU A 6 -2.431 -4.944 10.753 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -3.951 -5.509 12.601 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -2.255 -5.885 12.990 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -3.028 -4.438 13.682 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -4.503 -3.651 11.045 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -3.616 -2.460 12.024 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -3.206 -2.681 10.307 1.00 0.00 H new ATOM 94 N SER A 7 0.001 -2.417 8.624 1.00 0.00 N ATOM 95 CA SER A 7 0.136 -1.222 7.809 1.00 0.00 C ATOM 96 C SER A 7 1.156 -0.271 8.438 1.00 0.00 C ATOM 97 O SER A 7 0.799 0.573 9.259 1.00 0.00 O ATOM 98 CB SER A 7 -1.211 -0.517 7.637 1.00 0.00 C ATOM 99 OG SER A 7 -1.737 -0.060 8.880 1.00 0.00 O ATOM 0 H SER A 7 -0.082 -3.286 8.096 1.00 0.00 H new ATOM 0 HA SER A 7 0.488 -1.520 6.822 1.00 0.00 H new ATOM 0 HB2 SER A 7 -1.093 0.329 6.960 1.00 0.00 H new ATOM 0 HB3 SER A 7 -1.921 -1.201 7.172 1.00 0.00 H new ATOM 0 HG SER A 7 -1.004 0.073 9.516 1.00 0.00 H new ATOM 105 N ALA A 8 2.405 -0.440 8.030 1.00 0.00 N ATOM 106 CA ALA A 8 3.479 0.392 8.545 1.00 0.00 C ATOM 107 C ALA A 8 4.824 -0.184 8.097 1.00 0.00 C ATOM 108 O ALA A 8 5.486 0.379 7.227 1.00 0.00 O ATOM 109 CB ALA A 8 3.365 0.491 10.067 1.00 0.00 C ATOM 0 H ALA A 8 2.697 -1.141 7.349 1.00 0.00 H new ATOM 0 HA ALA A 8 3.404 1.404 8.147 1.00 0.00 H new ATOM 0 HB1 ALA A 8 4.171 1.115 10.452 1.00 0.00 H new ATOM 0 HB2 ALA A 8 2.405 0.934 10.332 1.00 0.00 H new ATOM 0 HB3 ALA A 8 3.438 -0.505 10.503 1.00 0.00 H new ATOM 115 N ASN A 9 5.188 -1.299 8.713 1.00 0.00 N ATOM 116 CA ASN A 9 6.442 -1.958 8.389 1.00 0.00 C ATOM 117 C ASN A 9 6.430 -2.373 6.917 1.00 0.00 C ATOM 118 O ASN A 9 7.327 -2.009 6.158 1.00 0.00 O ATOM 119 CB ASN A 9 6.637 -3.218 9.234 1.00 0.00 C ATOM 120 CG ASN A 9 7.819 -4.044 8.723 1.00 0.00 C ATOM 121 OD1 ASN A 9 8.586 -3.619 7.875 1.00 0.00 O ATOM 122 ND2 ASN A 9 7.923 -5.245 9.285 1.00 0.00 N ATOM 0 H ASN A 9 4.636 -1.763 9.435 1.00 0.00 H new ATOM 0 HA ASN A 9 7.253 -1.258 8.593 1.00 0.00 H new ATOM 0 HB2 ASN A 9 6.806 -2.940 10.274 1.00 0.00 H new ATOM 0 HB3 ASN A 9 5.729 -3.821 9.209 1.00 0.00 H new ATOM 0 HD21 ASN A 9 8.679 -5.872 9.012 1.00 0.00 H new ATOM 0 HD22 ASN A 9 7.246 -5.539 9.989 1.00 0.00 H new ATOM 129 N GLN A 10 5.403 -3.130 6.557 1.00 0.00 N ATOM 130 CA GLN A 10 5.262 -3.598 5.189 1.00 0.00 C ATOM 131 C GLN A 10 5.086 -2.413 4.237 1.00 0.00 C ATOM 132 O GLN A 10 5.415 -2.508 3.056 1.00 0.00 O ATOM 133 CB GLN A 10 4.096 -4.580 5.063 1.00 0.00 C ATOM 134 CG GLN A 10 2.805 -3.972 5.615 1.00 0.00 C ATOM 135 CD GLN A 10 2.056 -4.977 6.493 1.00 0.00 C ATOM 136 OE1 GLN A 10 1.050 -5.548 6.107 1.00 0.00 O ATOM 137 NE2 GLN A 10 2.602 -5.160 7.692 1.00 0.00 N ATOM 0 H GLN A 10 4.661 -3.430 7.189 1.00 0.00 H new ATOM 0 HA GLN A 10 6.173 -4.129 4.912 1.00 0.00 H new ATOM 0 HB2 GLN A 10 3.956 -4.851 4.017 1.00 0.00 H new ATOM 0 HB3 GLN A 10 4.329 -5.498 5.602 1.00 0.00 H new ATOM 0 HG2 GLN A 10 3.039 -3.080 6.196 1.00 0.00 H new ATOM 0 HG3 GLN A 10 2.166 -3.657 4.790 1.00 0.00 H new ATOM 0 HE21 GLN A 10 3.446 -4.649 7.951 1.00 0.00 H new ATOM 0 HE22 GLN A 10 2.177 -5.811 8.352 1.00 0.00 H new ATOM 146 N CYS A 11 4.569 -1.325 4.788 1.00 0.00 N ATOM 147 CA CYS A 11 4.345 -0.123 4.003 1.00 0.00 C ATOM 148 C CYS A 11 5.330 0.949 4.474 1.00 0.00 C ATOM 149 O CYS A 11 4.956 2.107 4.647 1.00 0.00 O ATOM 150 CB CYS A 11 2.894 0.353 4.098 1.00 0.00 C ATOM 151 SG CYS A 11 1.679 -0.959 4.485 1.00 0.00 S ATOM 0 H CYS A 11 4.299 -1.251 5.769 1.00 0.00 H new ATOM 0 HA CYS A 11 4.519 -0.337 2.948 1.00 0.00 H new ATOM 0 HB2 CYS A 11 2.829 1.126 4.864 1.00 0.00 H new ATOM 0 HB3 CYS A 11 2.616 0.818 3.152 1.00 0.00 H new ATOM 156 N ALA A 12 6.570 0.523 4.668 1.00 0.00 N ATOM 157 CA ALA A 12 7.611 1.432 5.116 1.00 0.00 C ATOM 158 C ALA A 12 8.639 1.614 3.997 1.00 0.00 C ATOM 159 O ALA A 12 9.840 1.479 4.225 1.00 0.00 O ATOM 160 CB ALA A 12 8.239 0.894 6.403 1.00 0.00 C ATOM 0 H ALA A 12 6.877 -0.439 4.523 1.00 0.00 H new ATOM 0 HA ALA A 12 7.193 2.413 5.343 1.00 0.00 H new ATOM 0 HB1 ALA A 12 9.020 1.576 6.739 1.00 0.00 H new ATOM 0 HB2 ALA A 12 7.473 0.811 7.174 1.00 0.00 H new ATOM 0 HB3 ALA A 12 8.672 -0.088 6.214 1.00 0.00 H new ATOM 166 N VAL A 13 8.130 1.917 2.812 1.00 0.00 N ATOM 167 CA VAL A 13 8.988 2.118 1.658 1.00 0.00 C ATOM 168 C VAL A 13 9.390 3.593 1.577 1.00 0.00 C ATOM 169 O VAL A 13 8.633 4.469 1.990 1.00 0.00 O ATOM 170 CB VAL A 13 8.289 1.620 0.392 1.00 0.00 C ATOM 171 CG1 VAL A 13 9.277 0.913 -0.539 1.00 0.00 C ATOM 172 CG2 VAL A 13 7.113 0.705 0.739 1.00 0.00 C ATOM 0 H VAL A 13 7.133 2.028 2.627 1.00 0.00 H new ATOM 0 HA VAL A 13 9.904 1.536 1.758 1.00 0.00 H new ATOM 0 HB VAL A 13 7.894 2.488 -0.136 1.00 0.00 H new ATOM 0 HG11 VAL A 13 8.754 0.569 -1.431 1.00 0.00 H new ATOM 0 HG12 VAL A 13 10.067 1.607 -0.826 1.00 0.00 H new ATOM 0 HG13 VAL A 13 9.715 0.059 -0.023 1.00 0.00 H new ATOM 0 HG21 VAL A 13 6.633 0.365 -0.179 1.00 0.00 H new ATOM 0 HG22 VAL A 13 7.475 -0.157 1.300 1.00 0.00 H new ATOM 0 HG23 VAL A 13 6.391 1.254 1.344 1.00 0.00 H new ATOM 182 N PRO A 14 10.613 3.826 1.029 1.00 0.00 N ATOM 183 CA PRO A 14 11.125 5.179 0.890 1.00 0.00 C ATOM 184 C PRO A 14 10.431 5.912 -0.260 1.00 0.00 C ATOM 185 O PRO A 14 10.738 7.070 -0.538 1.00 0.00 O ATOM 186 CB PRO A 14 12.620 5.013 0.673 1.00 0.00 C ATOM 187 CG PRO A 14 12.820 3.571 0.235 1.00 0.00 C ATOM 188 CD PRO A 14 11.537 2.812 0.530 1.00 0.00 C ATOM 0 HA PRO A 14 10.930 5.795 1.767 1.00 0.00 H new ATOM 0 HB2 PRO A 14 12.984 5.706 -0.086 1.00 0.00 H new ATOM 0 HB3 PRO A 14 13.173 5.224 1.588 1.00 0.00 H new ATOM 0 HG2 PRO A 14 13.055 3.524 -0.828 1.00 0.00 H new ATOM 0 HG3 PRO A 14 13.659 3.123 0.767 1.00 0.00 H new ATOM 0 HD2 PRO A 14 11.148 2.328 -0.366 1.00 0.00 H new ATOM 0 HD3 PRO A 14 11.702 2.028 1.269 1.00 0.00 H new ATOM 196 N ALA A 15 9.508 5.207 -0.897 1.00 0.00 N ATOM 197 CA ALA A 15 8.768 5.776 -2.011 1.00 0.00 C ATOM 198 C ALA A 15 9.551 5.552 -3.306 1.00 0.00 C ATOM 199 O ALA A 15 9.006 5.700 -4.399 1.00 0.00 O ATOM 200 CB ALA A 15 8.498 7.257 -1.741 1.00 0.00 C ATOM 0 H ALA A 15 9.255 4.247 -0.663 1.00 0.00 H new ATOM 0 HA ALA A 15 7.802 5.284 -2.121 1.00 0.00 H new ATOM 0 HB1 ALA A 15 7.943 7.684 -2.576 1.00 0.00 H new ATOM 0 HB2 ALA A 15 7.913 7.359 -0.827 1.00 0.00 H new ATOM 0 HB3 ALA A 15 9.445 7.785 -1.627 1.00 0.00 H new ATOM 206 N LYS A 16 10.817 5.198 -3.140 1.00 0.00 N ATOM 207 CA LYS A 16 11.681 4.952 -4.282 1.00 0.00 C ATOM 208 C LYS A 16 11.727 3.450 -4.567 1.00 0.00 C ATOM 209 O LYS A 16 12.444 3.006 -5.463 1.00 0.00 O ATOM 210 CB LYS A 16 13.059 5.578 -4.057 1.00 0.00 C ATOM 211 CG LYS A 16 13.739 4.976 -2.826 1.00 0.00 C ATOM 212 CD LYS A 16 14.039 3.491 -3.036 1.00 0.00 C ATOM 213 CE LYS A 16 15.281 3.065 -2.251 1.00 0.00 C ATOM 214 NZ LYS A 16 15.392 1.590 -2.216 1.00 0.00 N ATOM 0 H LYS A 16 11.265 5.076 -2.232 1.00 0.00 H new ATOM 0 HA LYS A 16 11.280 5.434 -5.174 1.00 0.00 H new ATOM 0 HB2 LYS A 16 13.683 5.418 -4.936 1.00 0.00 H new ATOM 0 HB3 LYS A 16 12.957 6.656 -3.930 1.00 0.00 H new ATOM 0 HG2 LYS A 16 14.665 5.512 -2.619 1.00 0.00 H new ATOM 0 HG3 LYS A 16 13.097 5.101 -1.954 1.00 0.00 H new ATOM 0 HD2 LYS A 16 13.183 2.895 -2.720 1.00 0.00 H new ATOM 0 HD3 LYS A 16 14.190 3.294 -4.097 1.00 0.00 H new ATOM 0 HE2 LYS A 16 16.173 3.492 -2.710 1.00 0.00 H new ATOM 0 HE3 LYS A 16 15.228 3.456 -1.235 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 16.240 1.318 -1.679 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 14.549 1.189 -1.757 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 15.465 1.224 -3.187 1.00 0.00 H new ATOM 228 N ASP A 17 10.954 2.708 -3.788 1.00 0.00 N ATOM 229 CA ASP A 17 10.898 1.265 -3.945 1.00 0.00 C ATOM 230 C ASP A 17 9.436 0.820 -4.019 1.00 0.00 C ATOM 231 O ASP A 17 9.119 -0.334 -3.736 1.00 0.00 O ATOM 232 CB ASP A 17 11.548 0.555 -2.756 1.00 0.00 C ATOM 233 CG ASP A 17 11.215 -0.932 -2.629 1.00 0.00 C ATOM 234 OD1 ASP A 17 11.159 -1.594 -3.688 1.00 0.00 O ATOM 235 OD2 ASP A 17 11.023 -1.375 -1.475 1.00 0.00 O ATOM 0 H ASP A 17 10.361 3.079 -3.046 1.00 0.00 H new ATOM 0 HA ASP A 17 11.435 1.005 -4.857 1.00 0.00 H new ATOM 0 HB2 ASP A 17 12.630 0.664 -2.834 1.00 0.00 H new ATOM 0 HB3 ASP A 17 11.242 1.060 -1.840 1.00 0.00 H new ATOM 240 N ARG A 18 8.584 1.760 -4.400 1.00 0.00 N ATOM 241 CA ARG A 18 7.163 1.480 -4.515 1.00 0.00 C ATOM 242 C ARG A 18 6.886 0.644 -5.766 1.00 0.00 C ATOM 243 O ARG A 18 7.458 0.896 -6.825 1.00 0.00 O ATOM 244 CB ARG A 18 6.350 2.775 -4.585 1.00 0.00 C ATOM 245 CG ARG A 18 6.841 3.787 -3.548 1.00 0.00 C ATOM 246 CD ARG A 18 6.191 3.536 -2.186 1.00 0.00 C ATOM 247 NE ARG A 18 5.823 4.823 -1.555 1.00 0.00 N ATOM 248 CZ ARG A 18 5.719 5.008 -0.232 1.00 0.00 C ATOM 249 NH1 ARG A 18 5.955 3.991 0.608 1.00 0.00 N ATOM 250 NH2 ARG A 18 5.379 6.211 0.251 1.00 0.00 N ATOM 0 H ARG A 18 8.850 2.717 -4.633 1.00 0.00 H new ATOM 0 HA ARG A 18 6.862 0.923 -3.628 1.00 0.00 H new ATOM 0 HB2 ARG A 18 6.429 3.205 -5.584 1.00 0.00 H new ATOM 0 HB3 ARG A 18 5.296 2.557 -4.415 1.00 0.00 H new ATOM 0 HG2 ARG A 18 7.925 3.721 -3.455 1.00 0.00 H new ATOM 0 HG3 ARG A 18 6.611 4.798 -3.884 1.00 0.00 H new ATOM 0 HD2 ARG A 18 5.304 2.914 -2.306 1.00 0.00 H new ATOM 0 HD3 ARG A 18 6.879 2.989 -1.541 1.00 0.00 H new ATOM 0 HE ARG A 18 5.637 5.619 -2.165 1.00 0.00 H new ATOM 0 HH11 ARG A 18 6.214 3.075 0.240 1.00 0.00 H new ATOM 0 HH12 ARG A 18 5.876 4.132 1.615 1.00 0.00 H new ATOM 0 HH21 ARG A 18 5.200 6.985 -0.388 1.00 0.00 H new ATOM 0 HH22 ARG A 18 5.300 6.352 1.258 1.00 0.00 H new ATOM 264 N VAL A 19 6.008 -0.335 -5.601 1.00 0.00 N ATOM 265 CA VAL A 19 5.648 -1.210 -6.704 1.00 0.00 C ATOM 266 C VAL A 19 4.348 -0.714 -7.341 1.00 0.00 C ATOM 267 O VAL A 19 3.923 -1.229 -8.373 1.00 0.00 O ATOM 268 CB VAL A 19 5.560 -2.658 -6.216 1.00 0.00 C ATOM 269 CG1 VAL A 19 5.633 -3.637 -7.389 1.00 0.00 C ATOM 270 CG2 VAL A 19 6.649 -2.956 -5.183 1.00 0.00 C ATOM 0 H VAL A 19 5.536 -0.541 -4.721 1.00 0.00 H new ATOM 0 HA VAL A 19 6.417 -1.187 -7.476 1.00 0.00 H new ATOM 0 HB VAL A 19 4.593 -2.790 -5.730 1.00 0.00 H new ATOM 0 HG11 VAL A 19 5.568 -4.659 -7.015 1.00 0.00 H new ATOM 0 HG12 VAL A 19 4.805 -3.448 -8.073 1.00 0.00 H new ATOM 0 HG13 VAL A 19 6.577 -3.503 -7.917 1.00 0.00 H new ATOM 0 HG21 VAL A 19 6.564 -3.991 -4.853 1.00 0.00 H new ATOM 0 HG22 VAL A 19 7.630 -2.798 -5.632 1.00 0.00 H new ATOM 0 HG23 VAL A 19 6.530 -2.291 -4.327 1.00 0.00 H new ATOM 280 N ASP A 20 3.755 0.281 -6.698 1.00 0.00 N ATOM 281 CA ASP A 20 2.512 0.853 -7.188 1.00 0.00 C ATOM 282 C ASP A 20 1.499 -0.268 -7.428 1.00 0.00 C ATOM 283 O ASP A 20 1.574 -0.973 -8.433 1.00 0.00 O ATOM 284 CB ASP A 20 2.729 1.585 -8.514 1.00 0.00 C ATOM 285 CG ASP A 20 1.452 1.889 -9.301 1.00 0.00 C ATOM 286 OD1 ASP A 20 0.404 2.057 -8.640 1.00 0.00 O ATOM 287 OD2 ASP A 20 1.553 1.946 -10.545 1.00 0.00 O ATOM 0 H ASP A 20 4.112 0.706 -5.842 1.00 0.00 H new ATOM 0 HA ASP A 20 2.148 1.558 -6.441 1.00 0.00 H new ATOM 0 HB2 ASP A 20 3.246 2.523 -8.313 1.00 0.00 H new ATOM 0 HB3 ASP A 20 3.389 0.984 -9.140 1.00 0.00 H new ATOM 292 N CYS A 21 0.576 -0.399 -6.486 1.00 0.00 N ATOM 293 CA CYS A 21 -0.451 -1.422 -6.582 1.00 0.00 C ATOM 294 C CYS A 21 -1.426 -1.022 -7.692 1.00 0.00 C ATOM 295 O CYS A 21 -2.116 -1.872 -8.253 1.00 0.00 O ATOM 296 CB CYS A 21 -1.164 -1.636 -5.245 1.00 0.00 C ATOM 297 SG CYS A 21 -1.614 -3.372 -4.884 1.00 0.00 S ATOM 0 H CYS A 21 0.518 0.186 -5.653 1.00 0.00 H new ATOM 0 HA CYS A 21 0.008 -2.379 -6.831 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -0.523 -1.268 -4.444 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -2.070 -1.030 -5.232 1.00 0.00 H new ATOM 302 N GLY A 22 -1.452 0.272 -7.974 1.00 0.00 N ATOM 303 CA GLY A 22 -2.331 0.795 -9.006 1.00 0.00 C ATOM 304 C GLY A 22 -3.800 0.653 -8.600 1.00 0.00 C ATOM 305 O GLY A 22 -4.424 -0.374 -8.861 1.00 0.00 O ATOM 0 H GLY A 22 -0.879 0.974 -7.506 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -2.100 1.845 -9.187 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -2.156 0.264 -9.941 1.00 0.00 H new ATOM 309 N TYR A 23 -4.308 1.700 -7.966 1.00 0.00 N ATOM 310 CA TYR A 23 -5.691 1.705 -7.520 1.00 0.00 C ATOM 311 C TYR A 23 -6.339 3.071 -7.758 1.00 0.00 C ATOM 312 O TYR A 23 -5.668 4.100 -7.694 1.00 0.00 O ATOM 313 CB TYR A 23 -5.651 1.428 -6.016 1.00 0.00 C ATOM 314 CG TYR A 23 -5.764 -0.054 -5.653 1.00 0.00 C ATOM 315 CD1 TYR A 23 -6.919 -0.750 -5.948 1.00 0.00 C ATOM 316 CD2 TYR A 23 -4.712 -0.694 -5.030 1.00 0.00 C ATOM 317 CE1 TYR A 23 -7.025 -2.145 -5.606 1.00 0.00 C ATOM 318 CE2 TYR A 23 -4.819 -2.089 -4.689 1.00 0.00 C ATOM 319 CZ TYR A 23 -5.970 -2.745 -4.993 1.00 0.00 C ATOM 320 OH TYR A 23 -6.071 -4.063 -4.670 1.00 0.00 O ATOM 0 H TYR A 23 -3.787 2.550 -7.751 1.00 0.00 H new ATOM 0 HA TYR A 23 -6.273 0.962 -8.066 1.00 0.00 H new ATOM 0 HB2 TYR A 23 -4.719 1.821 -5.609 1.00 0.00 H new ATOM 0 HB3 TYR A 23 -6.464 1.972 -5.535 1.00 0.00 H new ATOM 0 HD1 TYR A 23 -7.743 -0.249 -6.435 1.00 0.00 H new ATOM 0 HD2 TYR A 23 -3.809 -0.149 -4.798 1.00 0.00 H new ATOM 0 HE1 TYR A 23 -7.922 -2.702 -5.831 1.00 0.00 H new ATOM 0 HE2 TYR A 23 -4.003 -2.603 -4.203 1.00 0.00 H new ATOM 0 HH TYR A 23 -5.242 -4.358 -4.238 1.00 0.00 H new ATOM 330 N PRO A 24 -7.670 3.035 -8.035 1.00 0.00 N ATOM 331 CA PRO A 24 -8.415 4.258 -8.283 1.00 0.00 C ATOM 332 C PRO A 24 -8.671 5.018 -6.980 1.00 0.00 C ATOM 333 O PRO A 24 -8.091 6.078 -6.751 1.00 0.00 O ATOM 334 CB PRO A 24 -9.695 3.806 -8.969 1.00 0.00 C ATOM 335 CG PRO A 24 -9.830 2.323 -8.662 1.00 0.00 C ATOM 336 CD PRO A 24 -8.497 1.835 -8.119 1.00 0.00 C ATOM 0 HA PRO A 24 -7.870 4.963 -8.910 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -10.555 4.362 -8.596 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -9.644 3.980 -10.044 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -10.623 2.155 -7.934 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -10.101 1.770 -9.562 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -8.615 1.366 -7.142 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -8.049 1.091 -8.778 1.00 0.00 H new ATOM 344 N HIS A 25 -9.541 4.446 -6.160 1.00 0.00 N ATOM 345 CA HIS A 25 -9.882 5.056 -4.886 1.00 0.00 C ATOM 346 C HIS A 25 -8.962 4.508 -3.793 1.00 0.00 C ATOM 347 O HIS A 25 -9.314 3.554 -3.102 1.00 0.00 O ATOM 348 CB HIS A 25 -11.365 4.859 -4.568 1.00 0.00 C ATOM 349 CG HIS A 25 -11.735 3.435 -4.226 1.00 0.00 C ATOM 350 ND1 HIS A 25 -12.936 3.096 -3.627 1.00 0.00 N ATOM 351 CD2 HIS A 25 -11.052 2.269 -4.406 1.00 0.00 C ATOM 352 CE1 HIS A 25 -12.963 1.783 -3.457 1.00 0.00 C ATOM 353 NE2 HIS A 25 -11.794 1.271 -3.940 1.00 0.00 N ATOM 0 H HIS A 25 -10.020 3.566 -6.353 1.00 0.00 H new ATOM 0 HA HIS A 25 -9.723 6.133 -4.940 1.00 0.00 H new ATOM 0 HB2 HIS A 25 -11.636 5.505 -3.733 1.00 0.00 H new ATOM 0 HB3 HIS A 25 -11.956 5.181 -5.425 1.00 0.00 H new ATOM 0 HD1 HIS A 25 -13.675 3.747 -3.362 1.00 0.00 H new ATOM 0 HD2 HIS A 25 -10.073 2.173 -4.852 1.00 0.00 H new ATOM 0 HE1 HIS A 25 -13.769 1.217 -3.014 1.00 0.00 H new ATOM 362 N VAL A 26 -7.802 5.136 -3.671 1.00 0.00 N ATOM 363 CA VAL A 26 -6.829 4.723 -2.673 1.00 0.00 C ATOM 364 C VAL A 26 -6.953 5.624 -1.443 1.00 0.00 C ATOM 365 O VAL A 26 -7.001 6.847 -1.567 1.00 0.00 O ATOM 366 CB VAL A 26 -5.424 4.727 -3.279 1.00 0.00 C ATOM 367 CG1 VAL A 26 -5.296 3.667 -4.375 1.00 0.00 C ATOM 368 CG2 VAL A 26 -5.062 6.115 -3.813 1.00 0.00 C ATOM 0 H VAL A 26 -7.514 5.927 -4.246 1.00 0.00 H new ATOM 0 HA VAL A 26 -7.025 3.701 -2.348 1.00 0.00 H new ATOM 0 HB VAL A 26 -4.717 4.477 -2.488 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -4.288 3.691 -4.789 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -5.491 2.681 -3.952 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -6.018 3.872 -5.166 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -4.059 6.091 -4.238 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -5.776 6.406 -4.584 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -5.093 6.838 -2.998 1.00 0.00 H new ATOM 378 N THR A 27 -7.001 4.985 -0.283 1.00 0.00 N ATOM 379 CA THR A 27 -7.118 5.713 0.968 1.00 0.00 C ATOM 380 C THR A 27 -6.374 4.978 2.085 1.00 0.00 C ATOM 381 O THR A 27 -5.927 3.848 1.898 1.00 0.00 O ATOM 382 CB THR A 27 -8.607 5.915 1.260 1.00 0.00 C ATOM 383 OG1 THR A 27 -9.001 4.707 1.905 1.00 0.00 O ATOM 384 CG2 THR A 27 -9.454 5.952 -0.013 1.00 0.00 C ATOM 0 H THR A 27 -6.961 3.971 -0.184 1.00 0.00 H new ATOM 0 HA THR A 27 -6.649 6.695 0.900 1.00 0.00 H new ATOM 0 HB THR A 27 -8.745 6.843 1.814 1.00 0.00 H new ATOM 0 HG1 THR A 27 -9.324 4.909 2.808 1.00 0.00 H new ATOM 0 HG21 THR A 27 -10.502 6.097 0.251 1.00 0.00 H new ATOM 0 HG22 THR A 27 -9.122 6.774 -0.647 1.00 0.00 H new ATOM 0 HG23 THR A 27 -9.343 5.011 -0.552 1.00 0.00 H new ATOM 392 N PRO A 28 -6.262 5.668 3.251 1.00 0.00 N ATOM 393 CA PRO A 28 -5.579 5.093 4.398 1.00 0.00 C ATOM 394 C PRO A 28 -6.444 4.026 5.072 1.00 0.00 C ATOM 395 O PRO A 28 -6.467 3.923 6.298 1.00 0.00 O ATOM 396 CB PRO A 28 -5.275 6.272 5.307 1.00 0.00 C ATOM 397 CG PRO A 28 -6.202 7.392 4.862 1.00 0.00 C ATOM 398 CD PRO A 28 -6.779 7.009 3.509 1.00 0.00 C ATOM 0 HA PRO A 28 -4.662 4.572 4.124 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -5.448 6.014 6.352 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -4.231 6.572 5.221 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -7.000 7.539 5.590 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -5.657 8.333 4.792 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -7.869 7.016 3.527 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -6.468 7.709 2.734 1.00 0.00 H new ATOM 406 N LYS A 29 -7.134 3.258 4.242 1.00 0.00 N ATOM 407 CA LYS A 29 -7.998 2.202 4.742 1.00 0.00 C ATOM 408 C LYS A 29 -8.605 1.443 3.561 1.00 0.00 C ATOM 409 O LYS A 29 -8.710 0.218 3.594 1.00 0.00 O ATOM 410 CB LYS A 29 -9.040 2.774 5.706 1.00 0.00 C ATOM 411 CG LYS A 29 -9.468 1.726 6.736 1.00 0.00 C ATOM 412 CD LYS A 29 -10.935 1.337 6.544 1.00 0.00 C ATOM 413 CE LYS A 29 -11.861 2.304 7.285 1.00 0.00 C ATOM 414 NZ LYS A 29 -12.464 3.271 6.340 1.00 0.00 N ATOM 0 H LYS A 29 -7.112 3.346 3.226 1.00 0.00 H new ATOM 0 HA LYS A 29 -7.422 1.481 5.322 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -8.629 3.645 6.217 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -9.911 3.115 5.146 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -8.838 0.841 6.643 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -9.321 2.118 7.742 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -11.179 1.337 5.482 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -11.096 0.322 6.908 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -12.647 1.746 7.794 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -11.300 2.838 8.052 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -12.266 4.240 6.661 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -12.058 3.130 5.393 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -13.493 3.123 6.301 1.00 0.00 H new ATOM 428 N GLU A 30 -8.990 2.202 2.545 1.00 0.00 N ATOM 429 CA GLU A 30 -9.583 1.616 1.356 1.00 0.00 C ATOM 430 C GLU A 30 -8.499 0.994 0.473 1.00 0.00 C ATOM 431 O GLU A 30 -8.724 -0.038 -0.158 1.00 0.00 O ATOM 432 CB GLU A 30 -10.394 2.655 0.579 1.00 0.00 C ATOM 433 CG GLU A 30 -11.003 2.043 -0.684 1.00 0.00 C ATOM 434 CD GLU A 30 -12.466 2.460 -0.846 1.00 0.00 C ATOM 435 OE1 GLU A 30 -12.685 3.647 -1.172 1.00 0.00 O ATOM 436 OE2 GLU A 30 -13.333 1.584 -0.639 1.00 0.00 O ATOM 0 H GLU A 30 -8.902 3.218 2.521 1.00 0.00 H new ATOM 0 HA GLU A 30 -10.268 0.827 1.667 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -11.186 3.052 1.214 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -9.753 3.494 0.308 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -10.432 2.359 -1.557 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -10.934 0.956 -0.635 1.00 0.00 H new ATOM 443 N CYS A 31 -7.347 1.648 0.456 1.00 0.00 N ATOM 444 CA CYS A 31 -6.228 1.173 -0.339 1.00 0.00 C ATOM 445 C CYS A 31 -5.601 -0.022 0.381 1.00 0.00 C ATOM 446 O CYS A 31 -5.038 -0.911 -0.257 1.00 0.00 O ATOM 447 CB CYS A 31 -5.207 2.282 -0.600 1.00 0.00 C ATOM 448 SG CYS A 31 -3.507 1.697 -0.937 1.00 0.00 S ATOM 0 H CYS A 31 -7.165 2.504 0.981 1.00 0.00 H new ATOM 0 HA CYS A 31 -6.583 0.860 -1.321 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -5.546 2.876 -1.448 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -5.183 2.945 0.265 1.00 0.00 H new ATOM 453 N ASN A 32 -5.718 -0.005 1.701 1.00 0.00 N ATOM 454 CA ASN A 32 -5.169 -1.077 2.515 1.00 0.00 C ATOM 455 C ASN A 32 -6.227 -2.167 2.696 1.00 0.00 C ATOM 456 O ASN A 32 -5.957 -3.205 3.298 1.00 0.00 O ATOM 457 CB ASN A 32 -4.773 -0.567 3.902 1.00 0.00 C ATOM 458 CG ASN A 32 -4.096 0.802 3.811 1.00 0.00 C ATOM 459 OD1 ASN A 32 -2.883 0.921 3.764 1.00 0.00 O ATOM 460 ND2 ASN A 32 -4.945 1.825 3.788 1.00 0.00 N ATOM 0 H ASN A 32 -6.185 0.734 2.227 1.00 0.00 H new ATOM 0 HA ASN A 32 -4.286 -1.467 2.009 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -5.658 -0.497 4.534 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -4.098 -1.280 4.376 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -4.591 2.780 3.728 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -5.950 1.655 3.831 1.00 0.00 H new ATOM 467 N ASN A 33 -7.409 -1.894 2.163 1.00 0.00 N ATOM 468 CA ASN A 33 -8.509 -2.839 2.259 1.00 0.00 C ATOM 469 C ASN A 33 -8.630 -3.608 0.942 1.00 0.00 C ATOM 470 O ASN A 33 -8.862 -4.816 0.943 1.00 0.00 O ATOM 471 CB ASN A 33 -9.835 -2.117 2.508 1.00 0.00 C ATOM 472 CG ASN A 33 -11.007 -3.101 2.487 1.00 0.00 C ATOM 473 OD1 ASN A 33 -11.460 -3.589 3.509 1.00 0.00 O ATOM 474 ND2 ASN A 33 -11.470 -3.363 1.268 1.00 0.00 N ATOM 0 H ASN A 33 -7.629 -1.032 1.663 1.00 0.00 H new ATOM 0 HA ASN A 33 -8.304 -3.513 3.091 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -9.801 -1.607 3.471 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -9.985 -1.351 1.747 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -12.251 -4.008 1.147 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -11.044 -2.919 0.454 1.00 0.00 H new ATOM 481 N ARG A 34 -8.468 -2.877 -0.151 1.00 0.00 N ATOM 482 CA ARG A 34 -8.556 -3.475 -1.472 1.00 0.00 C ATOM 483 C ARG A 34 -7.574 -4.642 -1.593 1.00 0.00 C ATOM 484 O ARG A 34 -7.803 -5.574 -2.363 1.00 0.00 O ATOM 485 CB ARG A 34 -8.252 -2.447 -2.564 1.00 0.00 C ATOM 486 CG ARG A 34 -9.159 -2.654 -3.779 1.00 0.00 C ATOM 487 CD ARG A 34 -10.625 -2.771 -3.356 1.00 0.00 C ATOM 488 NE ARG A 34 -11.500 -2.194 -4.400 1.00 0.00 N ATOM 489 CZ ARG A 34 -12.737 -1.730 -4.172 1.00 0.00 C ATOM 490 NH1 ARG A 34 -13.251 -1.774 -2.935 1.00 0.00 N ATOM 491 NH2 ARG A 34 -13.459 -1.224 -5.180 1.00 0.00 N ATOM 0 H ARG A 34 -8.276 -1.875 -0.149 1.00 0.00 H new ATOM 0 HA ARG A 34 -9.575 -3.838 -1.604 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -8.390 -1.440 -2.170 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -7.208 -2.530 -2.866 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -9.042 -1.820 -4.471 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -8.858 -3.555 -4.313 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -10.882 -3.817 -3.192 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -10.782 -2.252 -2.411 1.00 0.00 H new ATOM 0 HE ARG A 34 -11.140 -2.146 -5.353 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -12.701 -2.160 -2.168 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -14.192 -1.421 -2.761 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -13.068 -1.192 -6.121 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -14.400 -0.871 -5.006 1.00 0.00 H new ATOM 505 N GLY A 35 -6.501 -4.554 -0.820 1.00 0.00 N ATOM 506 CA GLY A 35 -5.483 -5.591 -0.831 1.00 0.00 C ATOM 507 C GLY A 35 -4.125 -5.022 -1.245 1.00 0.00 C ATOM 508 O GLY A 35 -3.664 -5.255 -2.362 1.00 0.00 O ATOM 0 H GLY A 35 -6.315 -3.780 -0.182 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -5.406 -6.041 0.159 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -5.774 -6.384 -1.520 1.00 0.00 H new ATOM 512 N CYS A 36 -3.521 -4.286 -0.323 1.00 0.00 N ATOM 513 CA CYS A 36 -2.225 -3.681 -0.578 1.00 0.00 C ATOM 514 C CYS A 36 -1.915 -2.710 0.562 1.00 0.00 C ATOM 515 O CYS A 36 -2.476 -2.826 1.651 1.00 0.00 O ATOM 516 CB CYS A 36 -2.181 -2.991 -1.943 1.00 0.00 C ATOM 517 SG CYS A 36 -0.832 -3.553 -3.044 1.00 0.00 S ATOM 0 H CYS A 36 -3.906 -4.095 0.602 1.00 0.00 H new ATOM 0 HA CYS A 36 -1.460 -4.457 -0.611 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -3.134 -3.153 -2.447 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -2.081 -1.917 -1.788 1.00 0.00 H new ATOM 522 N CYS A 37 -1.022 -1.774 0.274 1.00 0.00 N ATOM 523 CA CYS A 37 -0.631 -0.783 1.262 1.00 0.00 C ATOM 524 C CYS A 37 -0.959 0.604 0.707 1.00 0.00 C ATOM 525 O CYS A 37 -0.965 0.806 -0.506 1.00 0.00 O ATOM 526 CB CYS A 37 0.846 -0.913 1.638 1.00 0.00 C ATOM 527 SG CYS A 37 1.196 -2.113 2.975 1.00 0.00 S ATOM 0 H CYS A 37 -0.558 -1.681 -0.630 1.00 0.00 H new ATOM 0 HA CYS A 37 -1.189 -0.945 2.184 1.00 0.00 H new ATOM 0 HB2 CYS A 37 1.408 -1.205 0.751 1.00 0.00 H new ATOM 0 HB3 CYS A 37 1.216 0.066 1.942 1.00 0.00 H new ATOM 532 N PHE A 38 -1.224 1.525 1.622 1.00 0.00 N ATOM 533 CA PHE A 38 -1.553 2.887 1.240 1.00 0.00 C ATOM 534 C PHE A 38 -0.501 3.871 1.758 1.00 0.00 C ATOM 535 O PHE A 38 0.395 3.489 2.508 1.00 0.00 O ATOM 536 CB PHE A 38 -2.903 3.219 1.879 1.00 0.00 C ATOM 537 CG PHE A 38 -3.321 4.682 1.726 1.00 0.00 C ATOM 538 CD1 PHE A 38 -3.905 5.106 0.573 1.00 0.00 C ATOM 539 CD2 PHE A 38 -3.109 5.560 2.744 1.00 0.00 C ATOM 540 CE1 PHE A 38 -4.293 6.465 0.432 1.00 0.00 C ATOM 541 CE2 PHE A 38 -3.498 6.918 2.602 1.00 0.00 C ATOM 542 CZ PHE A 38 -4.082 7.342 1.449 1.00 0.00 C ATOM 0 H PHE A 38 -1.217 1.354 2.628 1.00 0.00 H new ATOM 0 HA PHE A 38 -1.587 2.970 0.154 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -3.670 2.584 1.434 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -2.861 2.973 2.940 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -4.074 4.409 -0.235 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -2.645 5.224 3.660 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -4.756 6.802 -0.484 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -3.330 7.615 3.410 1.00 0.00 H new ATOM 0 HZ PHE A 38 -4.378 8.375 1.342 1.00 0.00 H new ATOM 552 N ASP A 39 -0.647 5.119 1.337 1.00 0.00 N ATOM 553 CA ASP A 39 0.279 6.160 1.749 1.00 0.00 C ATOM 554 C ASP A 39 -0.144 7.490 1.122 1.00 0.00 C ATOM 555 O ASP A 39 -0.615 7.523 -0.014 1.00 0.00 O ATOM 556 CB ASP A 39 1.702 5.849 1.282 1.00 0.00 C ATOM 557 CG ASP A 39 2.722 6.963 1.526 1.00 0.00 C ATOM 558 OD1 ASP A 39 3.007 7.220 2.716 1.00 0.00 O ATOM 559 OD2 ASP A 39 3.193 7.532 0.518 1.00 0.00 O ATOM 0 H ASP A 39 -1.392 5.432 0.715 1.00 0.00 H new ATOM 0 HA ASP A 39 0.261 6.215 2.837 1.00 0.00 H new ATOM 0 HB2 ASP A 39 2.045 4.946 1.788 1.00 0.00 H new ATOM 0 HB3 ASP A 39 1.678 5.627 0.215 1.00 0.00 H new ATOM 564 N SER A 40 0.040 8.555 1.890 1.00 0.00 N ATOM 565 CA SER A 40 -0.317 9.884 1.423 1.00 0.00 C ATOM 566 C SER A 40 0.804 10.872 1.752 1.00 0.00 C ATOM 567 O SER A 40 0.594 12.084 1.732 1.00 0.00 O ATOM 568 CB SER A 40 -1.635 10.350 2.045 1.00 0.00 C ATOM 569 OG SER A 40 -1.535 10.498 3.459 1.00 0.00 O ATOM 0 H SER A 40 0.431 8.524 2.831 1.00 0.00 H new ATOM 0 HA SER A 40 -0.451 9.843 0.342 1.00 0.00 H new ATOM 0 HB2 SER A 40 -1.929 11.301 1.601 1.00 0.00 H new ATOM 0 HB3 SER A 40 -2.421 9.632 1.810 1.00 0.00 H new ATOM 0 HG SER A 40 -2.396 10.798 3.818 1.00 0.00 H new ATOM 575 N ARG A 41 1.971 10.317 2.047 1.00 0.00 N ATOM 576 CA ARG A 41 3.125 11.135 2.380 1.00 0.00 C ATOM 577 C ARG A 41 3.508 12.020 1.192 1.00 0.00 C ATOM 578 O ARG A 41 3.730 13.219 1.353 1.00 0.00 O ATOM 579 CB ARG A 41 4.323 10.265 2.766 1.00 0.00 C ATOM 580 CG ARG A 41 5.122 10.905 3.903 1.00 0.00 C ATOM 581 CD ARG A 41 6.406 11.549 3.375 1.00 0.00 C ATOM 582 NE ARG A 41 7.445 11.543 4.430 1.00 0.00 N ATOM 583 CZ ARG A 41 8.199 10.478 4.735 1.00 0.00 C ATOM 584 NH1 ARG A 41 8.035 9.328 4.068 1.00 0.00 N ATOM 585 NH2 ARG A 41 9.118 10.564 5.707 1.00 0.00 N ATOM 0 H ARG A 41 2.142 9.312 2.062 1.00 0.00 H new ATOM 0 HA ARG A 41 2.855 11.760 3.231 1.00 0.00 H new ATOM 0 HB2 ARG A 41 3.977 9.278 3.071 1.00 0.00 H new ATOM 0 HB3 ARG A 41 4.968 10.123 1.899 1.00 0.00 H new ATOM 0 HG2 ARG A 41 4.512 11.658 4.402 1.00 0.00 H new ATOM 0 HG3 ARG A 41 5.370 10.149 4.649 1.00 0.00 H new ATOM 0 HD2 ARG A 41 6.762 11.006 2.499 1.00 0.00 H new ATOM 0 HD3 ARG A 41 6.205 12.572 3.056 1.00 0.00 H new ATOM 0 HE ARG A 41 7.596 12.403 4.957 1.00 0.00 H new ATOM 0 HH11 ARG A 41 7.336 9.263 3.328 1.00 0.00 H new ATOM 0 HH12 ARG A 41 8.609 8.517 4.300 1.00 0.00 H new ATOM 0 HH21 ARG A 41 9.243 11.440 6.214 1.00 0.00 H new ATOM 0 HH22 ARG A 41 9.692 9.753 5.939 1.00 0.00 H new ATOM 599 N ILE A 42 3.574 11.395 0.026 1.00 0.00 N ATOM 600 CA ILE A 42 3.926 12.111 -1.188 1.00 0.00 C ATOM 601 C ILE A 42 3.129 11.539 -2.363 1.00 0.00 C ATOM 602 O ILE A 42 3.066 10.324 -2.541 1.00 0.00 O ATOM 603 CB ILE A 42 5.440 12.088 -1.404 1.00 0.00 C ATOM 604 CG1 ILE A 42 6.084 10.924 -0.649 1.00 0.00 C ATOM 605 CG2 ILE A 42 6.068 13.432 -1.028 1.00 0.00 C ATOM 606 CD1 ILE A 42 5.549 9.582 -1.152 1.00 0.00 C ATOM 0 H ILE A 42 3.390 10.400 -0.104 1.00 0.00 H new ATOM 0 HA ILE A 42 3.655 13.163 -1.101 1.00 0.00 H new ATOM 0 HB ILE A 42 5.631 11.929 -2.465 1.00 0.00 H new ATOM 0 HG12 ILE A 42 7.166 10.958 -0.775 1.00 0.00 H new ATOM 0 HG13 ILE A 42 5.884 11.023 0.418 1.00 0.00 H new ATOM 0 HG21 ILE A 42 7.145 13.389 -1.191 1.00 0.00 H new ATOM 0 HG22 ILE A 42 5.639 14.220 -1.647 1.00 0.00 H new ATOM 0 HG23 ILE A 42 5.868 13.646 0.022 1.00 0.00 H new ATOM 0 HD11 ILE A 42 6.023 8.771 -0.599 1.00 0.00 H new ATOM 0 HD12 ILE A 42 4.470 9.541 -1.002 1.00 0.00 H new ATOM 0 HD13 ILE A 42 5.772 9.476 -2.214 1.00 0.00 H new ATOM 618 N PRO A 43 2.525 12.466 -3.153 1.00 0.00 N ATOM 619 CA PRO A 43 1.734 12.066 -4.305 1.00 0.00 C ATOM 620 C PRO A 43 2.634 11.619 -5.459 1.00 0.00 C ATOM 621 O PRO A 43 2.293 10.694 -6.194 1.00 0.00 O ATOM 622 CB PRO A 43 0.893 13.285 -4.647 1.00 0.00 C ATOM 623 CG PRO A 43 1.574 14.465 -3.972 1.00 0.00 C ATOM 624 CD PRO A 43 2.577 13.914 -2.972 1.00 0.00 C ATOM 0 HA PRO A 43 1.099 11.204 -4.100 1.00 0.00 H new ATOM 0 HB2 PRO A 43 0.838 13.431 -5.726 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -0.130 13.167 -4.288 1.00 0.00 H new ATOM 0 HG2 PRO A 43 2.075 15.090 -4.711 1.00 0.00 H new ATOM 0 HG3 PRO A 43 0.839 15.093 -3.469 1.00 0.00 H new ATOM 0 HD2 PRO A 43 3.578 14.301 -3.162 1.00 0.00 H new ATOM 0 HD3 PRO A 43 2.314 14.195 -1.952 1.00 0.00 H new ATOM 632 N GLY A 44 3.766 12.296 -5.581 1.00 0.00 N ATOM 633 CA GLY A 44 4.718 11.980 -6.633 1.00 0.00 C ATOM 634 C GLY A 44 4.847 10.466 -6.818 1.00 0.00 C ATOM 635 O GLY A 44 5.002 9.986 -7.940 1.00 0.00 O ATOM 0 H GLY A 44 4.046 13.062 -4.969 1.00 0.00 H new ATOM 0 HA2 GLY A 44 4.397 12.438 -7.568 1.00 0.00 H new ATOM 0 HA3 GLY A 44 5.691 12.404 -6.387 1.00 0.00 H new ATOM 639 N VAL A 45 4.777 9.757 -5.701 1.00 0.00 N ATOM 640 CA VAL A 45 4.884 8.308 -5.727 1.00 0.00 C ATOM 641 C VAL A 45 3.482 7.697 -5.696 1.00 0.00 C ATOM 642 O VAL A 45 2.496 8.407 -5.502 1.00 0.00 O ATOM 643 CB VAL A 45 5.771 7.828 -4.576 1.00 0.00 C ATOM 644 CG1 VAL A 45 6.834 8.873 -4.231 1.00 0.00 C ATOM 645 CG2 VAL A 45 4.931 7.474 -3.348 1.00 0.00 C ATOM 0 H VAL A 45 4.648 10.159 -4.772 1.00 0.00 H new ATOM 0 HA VAL A 45 5.363 7.977 -6.649 1.00 0.00 H new ATOM 0 HB VAL A 45 6.284 6.924 -4.903 1.00 0.00 H new ATOM 0 HG11 VAL A 45 7.451 8.507 -3.410 1.00 0.00 H new ATOM 0 HG12 VAL A 45 7.462 9.055 -5.103 1.00 0.00 H new ATOM 0 HG13 VAL A 45 6.348 9.802 -3.933 1.00 0.00 H new ATOM 0 HG21 VAL A 45 5.586 7.136 -2.545 1.00 0.00 H new ATOM 0 HG22 VAL A 45 4.378 8.354 -3.019 1.00 0.00 H new ATOM 0 HG23 VAL A 45 4.230 6.679 -3.603 1.00 0.00 H new ATOM 655 N PRO A 46 3.436 6.353 -5.895 1.00 0.00 N ATOM 656 CA PRO A 46 2.171 5.638 -5.892 1.00 0.00 C ATOM 657 C PRO A 46 1.634 5.480 -4.467 1.00 0.00 C ATOM 658 O PRO A 46 1.953 4.509 -3.784 1.00 0.00 O ATOM 659 CB PRO A 46 2.468 4.308 -6.565 1.00 0.00 C ATOM 660 CG PRO A 46 3.977 4.137 -6.501 1.00 0.00 C ATOM 661 CD PRO A 46 4.583 5.480 -6.128 1.00 0.00 C ATOM 0 HA PRO A 46 1.385 6.172 -6.426 1.00 0.00 H new ATOM 0 HB2 PRO A 46 1.960 3.490 -6.054 1.00 0.00 H new ATOM 0 HB3 PRO A 46 2.118 4.306 -7.597 1.00 0.00 H new ATOM 0 HG2 PRO A 46 4.244 3.380 -5.764 1.00 0.00 H new ATOM 0 HG3 PRO A 46 4.364 3.797 -7.462 1.00 0.00 H new ATOM 0 HD2 PRO A 46 5.206 5.399 -5.238 1.00 0.00 H new ATOM 0 HD3 PRO A 46 5.217 5.864 -6.927 1.00 0.00 H new ATOM 669 N TRP A 47 0.828 6.451 -4.062 1.00 0.00 N ATOM 670 CA TRP A 47 0.244 6.432 -2.732 1.00 0.00 C ATOM 671 C TRP A 47 0.029 4.972 -2.330 1.00 0.00 C ATOM 672 O TRP A 47 0.490 4.540 -1.275 1.00 0.00 O ATOM 673 CB TRP A 47 -1.042 7.260 -2.686 1.00 0.00 C ATOM 674 CG TRP A 47 -0.821 8.735 -2.343 1.00 0.00 C ATOM 675 CD1 TRP A 47 0.275 9.476 -2.556 1.00 0.00 C ATOM 676 CD2 TRP A 47 -1.769 9.623 -1.714 1.00 0.00 C ATOM 677 NE1 TRP A 47 0.104 10.771 -2.112 1.00 0.00 N ATOM 678 CE2 TRP A 47 -1.178 10.863 -1.584 1.00 0.00 C ATOM 679 CE3 TRP A 47 -3.081 9.385 -1.269 1.00 0.00 C ATOM 680 CZ2 TRP A 47 -1.826 11.964 -1.010 1.00 0.00 C ATOM 681 CZ3 TRP A 47 -3.715 10.495 -0.698 1.00 0.00 C ATOM 682 CH2 TRP A 47 -3.135 11.751 -0.560 1.00 0.00 C ATOM 0 H TRP A 47 0.566 7.256 -4.632 1.00 0.00 H new ATOM 0 HA TRP A 47 0.916 6.896 -2.010 1.00 0.00 H new ATOM 0 HB2 TRP A 47 -1.540 7.193 -3.653 1.00 0.00 H new ATOM 0 HB3 TRP A 47 -1.717 6.824 -1.950 1.00 0.00 H new ATOM 0 HD1 TRP A 47 1.179 9.106 -3.017 1.00 0.00 H new ATOM 0 HE1 TRP A 47 0.792 11.522 -2.162 1.00 0.00 H new ATOM 0 HE3 TRP A 47 -3.562 8.422 -1.360 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 -1.342 12.925 -0.919 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 -4.726 10.367 -0.340 1.00 0.00 H new ATOM 0 HH2 TRP A 47 -3.691 12.559 -0.108 1.00 0.00 H new ATOM 693 N CYS A 48 -0.671 4.251 -3.194 1.00 0.00 N ATOM 694 CA CYS A 48 -0.952 2.847 -2.943 1.00 0.00 C ATOM 695 C CYS A 48 0.144 2.011 -3.606 1.00 0.00 C ATOM 696 O CYS A 48 0.237 1.963 -4.831 1.00 0.00 O ATOM 697 CB CYS A 48 -2.347 2.453 -3.434 1.00 0.00 C ATOM 698 SG CYS A 48 -3.073 0.998 -2.596 1.00 0.00 S ATOM 0 H CYS A 48 -1.052 4.613 -4.068 1.00 0.00 H new ATOM 0 HA CYS A 48 -0.950 2.660 -1.869 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -3.017 3.303 -3.301 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -2.297 2.251 -4.504 1.00 0.00 H new ATOM 703 N PHE A 49 0.947 1.374 -2.766 1.00 0.00 N ATOM 704 CA PHE A 49 2.033 0.542 -3.255 1.00 0.00 C ATOM 705 C PHE A 49 2.061 -0.805 -2.531 1.00 0.00 C ATOM 706 O PHE A 49 1.461 -0.955 -1.467 1.00 0.00 O ATOM 707 CB PHE A 49 3.335 1.291 -2.965 1.00 0.00 C ATOM 708 CG PHE A 49 3.426 1.854 -1.546 1.00 0.00 C ATOM 709 CD1 PHE A 49 3.593 1.014 -0.490 1.00 0.00 C ATOM 710 CD2 PHE A 49 3.341 3.196 -1.340 1.00 0.00 C ATOM 711 CE1 PHE A 49 3.677 1.536 0.827 1.00 0.00 C ATOM 712 CE2 PHE A 49 3.426 3.719 -0.023 1.00 0.00 C ATOM 713 CZ PHE A 49 3.592 2.878 1.033 1.00 0.00 C ATOM 0 H PHE A 49 0.867 1.417 -1.750 1.00 0.00 H new ATOM 0 HA PHE A 49 1.903 0.349 -4.320 1.00 0.00 H new ATOM 0 HB2 PHE A 49 4.175 0.617 -3.132 1.00 0.00 H new ATOM 0 HB3 PHE A 49 3.437 2.110 -3.677 1.00 0.00 H new ATOM 0 HD1 PHE A 49 3.662 -0.051 -0.654 1.00 0.00 H new ATOM 0 HD2 PHE A 49 3.209 3.864 -2.179 1.00 0.00 H new ATOM 0 HE1 PHE A 49 3.808 0.868 1.665 1.00 0.00 H new ATOM 0 HE2 PHE A 49 3.359 4.784 0.140 1.00 0.00 H new ATOM 0 HZ PHE A 49 3.656 3.276 2.035 1.00 0.00 H new ATOM 723 N LYS A 50 2.765 -1.752 -3.135 1.00 0.00 N ATOM 724 CA LYS A 50 2.879 -3.081 -2.561 1.00 0.00 C ATOM 725 C LYS A 50 3.676 -3.002 -1.257 1.00 0.00 C ATOM 726 O LYS A 50 4.357 -2.010 -1.000 1.00 0.00 O ATOM 727 CB LYS A 50 3.467 -4.057 -3.582 1.00 0.00 C ATOM 728 CG LYS A 50 2.498 -4.284 -4.744 1.00 0.00 C ATOM 729 CD LYS A 50 2.525 -5.743 -5.204 1.00 0.00 C ATOM 730 CE LYS A 50 2.692 -5.837 -6.722 1.00 0.00 C ATOM 731 NZ LYS A 50 1.630 -6.683 -7.309 1.00 0.00 N ATOM 0 H LYS A 50 3.262 -1.624 -4.016 1.00 0.00 H new ATOM 0 HA LYS A 50 1.893 -3.473 -2.310 1.00 0.00 H new ATOM 0 HB2 LYS A 50 4.411 -3.667 -3.962 1.00 0.00 H new ATOM 0 HB3 LYS A 50 3.688 -5.008 -3.097 1.00 0.00 H new ATOM 0 HG2 LYS A 50 1.487 -4.014 -4.437 1.00 0.00 H new ATOM 0 HG3 LYS A 50 2.763 -3.632 -5.576 1.00 0.00 H new ATOM 0 HD2 LYS A 50 3.343 -6.268 -4.711 1.00 0.00 H new ATOM 0 HD3 LYS A 50 1.602 -6.239 -4.905 1.00 0.00 H new ATOM 0 HE2 LYS A 50 2.654 -4.840 -7.160 1.00 0.00 H new ATOM 0 HE3 LYS A 50 3.671 -6.254 -6.961 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 1.758 -6.736 -8.340 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 1.684 -7.639 -6.904 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 0.700 -6.269 -7.097 1.00 0.00 H new ATOM 745 N PRO A 51 3.562 -4.088 -0.446 1.00 0.00 N ATOM 746 CA PRO A 51 4.263 -4.151 0.825 1.00 0.00 C ATOM 747 C PRO A 51 5.754 -4.421 0.615 1.00 0.00 C ATOM 748 O PRO A 51 6.130 -5.449 0.054 1.00 0.00 O ATOM 749 CB PRO A 51 3.564 -5.252 1.606 1.00 0.00 C ATOM 750 CG PRO A 51 2.806 -6.076 0.578 1.00 0.00 C ATOM 751 CD PRO A 51 2.765 -5.281 -0.718 1.00 0.00 C ATOM 0 HA PRO A 51 4.227 -3.209 1.372 1.00 0.00 H new ATOM 0 HB2 PRO A 51 4.285 -5.867 2.145 1.00 0.00 H new ATOM 0 HB3 PRO A 51 2.885 -4.833 2.349 1.00 0.00 H new ATOM 0 HG2 PRO A 51 3.297 -7.036 0.421 1.00 0.00 H new ATOM 0 HG3 PRO A 51 1.796 -6.288 0.928 1.00 0.00 H new ATOM 0 HD2 PRO A 51 3.180 -5.854 -1.547 1.00 0.00 H new ATOM 0 HD3 PRO A 51 1.742 -5.020 -0.991 1.00 0.00 H new ATOM 759 N LEU A 52 6.564 -3.480 1.078 1.00 0.00 N ATOM 760 CA LEU A 52 8.006 -3.604 0.948 1.00 0.00 C ATOM 761 C LEU A 52 8.394 -5.083 1.004 1.00 0.00 C ATOM 762 O LEU A 52 7.811 -5.853 1.765 1.00 0.00 O ATOM 763 CB LEU A 52 8.714 -2.743 1.997 1.00 0.00 C ATOM 764 CG LEU A 52 10.237 -2.879 2.059 1.00 0.00 C ATOM 765 CD1 LEU A 52 10.848 -1.794 2.948 1.00 0.00 C ATOM 766 CD2 LEU A 52 10.644 -4.284 2.506 1.00 0.00 C ATOM 0 H LEU A 52 6.249 -2.629 1.543 1.00 0.00 H new ATOM 0 HA LEU A 52 8.335 -3.224 -0.019 1.00 0.00 H new ATOM 0 HB2 LEU A 52 8.470 -1.698 1.806 1.00 0.00 H new ATOM 0 HB3 LEU A 52 8.307 -2.991 2.977 1.00 0.00 H new ATOM 0 HG LEU A 52 10.635 -2.734 1.055 1.00 0.00 H new ATOM 0 HD11 LEU A 52 11.931 -1.913 2.975 1.00 0.00 H new ATOM 0 HD12 LEU A 52 10.601 -0.812 2.545 1.00 0.00 H new ATOM 0 HD13 LEU A 52 10.448 -1.883 3.958 1.00 0.00 H new ATOM 0 HD21 LEU A 52 11.731 -4.354 2.542 1.00 0.00 H new ATOM 0 HD22 LEU A 52 10.235 -4.484 3.496 1.00 0.00 H new ATOM 0 HD23 LEU A 52 10.256 -5.017 1.799 1.00 0.00 H new ATOM 778 N GLN A 53 9.376 -5.435 0.186 1.00 0.00 N ATOM 779 CA GLN A 53 9.848 -6.808 0.133 1.00 0.00 C ATOM 780 C GLN A 53 10.546 -7.181 1.442 1.00 0.00 C ATOM 781 O GLN A 53 11.763 -7.355 1.473 1.00 0.00 O ATOM 782 CB GLN A 53 10.777 -7.022 -1.064 1.00 0.00 C ATOM 783 CG GLN A 53 10.006 -7.574 -2.265 1.00 0.00 C ATOM 784 CD GLN A 53 9.802 -6.494 -3.329 1.00 0.00 C ATOM 785 OE1 GLN A 53 10.205 -6.629 -4.473 1.00 0.00 O ATOM 786 NE2 GLN A 53 9.156 -5.417 -2.891 1.00 0.00 N ATOM 0 H GLN A 53 9.857 -4.794 -0.445 1.00 0.00 H new ATOM 0 HA GLN A 53 8.986 -7.463 0.005 1.00 0.00 H new ATOM 0 HB2 GLN A 53 11.251 -6.078 -1.334 1.00 0.00 H new ATOM 0 HB3 GLN A 53 11.575 -7.713 -0.791 1.00 0.00 H new ATOM 0 HG2 GLN A 53 10.550 -8.415 -2.695 1.00 0.00 H new ATOM 0 HG3 GLN A 53 9.038 -7.954 -1.937 1.00 0.00 H new ATOM 0 HE21 GLN A 53 8.846 -5.368 -1.921 1.00 0.00 H new ATOM 0 HE22 GLN A 53 8.971 -4.640 -3.526 1.00 0.00 H new ATOM 795 N GLU A 54 9.745 -7.292 2.492 1.00 0.00 N ATOM 796 CA GLU A 54 10.271 -7.641 3.800 1.00 0.00 C ATOM 797 C GLU A 54 11.360 -8.708 3.668 1.00 0.00 C ATOM 798 O GLU A 54 11.155 -9.732 3.018 1.00 0.00 O ATOM 799 CB GLU A 54 9.153 -8.111 4.733 1.00 0.00 C ATOM 800 CG GLU A 54 8.585 -9.455 4.273 1.00 0.00 C ATOM 801 CD GLU A 54 7.913 -9.328 2.905 1.00 0.00 C ATOM 802 OE1 GLU A 54 7.080 -8.406 2.766 1.00 0.00 O ATOM 803 OE2 GLU A 54 8.247 -10.154 2.029 1.00 0.00 O ATOM 0 H GLU A 54 8.736 -7.146 2.463 1.00 0.00 H new ATOM 0 HA GLU A 54 10.716 -6.749 4.240 1.00 0.00 H new ATOM 0 HB2 GLU A 54 9.537 -8.203 5.749 1.00 0.00 H new ATOM 0 HB3 GLU A 54 8.358 -7.366 4.759 1.00 0.00 H new ATOM 0 HG2 GLU A 54 9.385 -10.193 4.222 1.00 0.00 H new ATOM 0 HG3 GLU A 54 7.863 -9.818 5.004 1.00 0.00 H new ATOM 810 N ALA A 55 12.494 -8.431 4.294 1.00 0.00 N ATOM 811 CA ALA A 55 13.615 -9.355 4.255 1.00 0.00 C ATOM 812 C ALA A 55 14.533 -9.088 5.450 1.00 0.00 C ATOM 813 O ALA A 55 15.556 -8.418 5.314 1.00 0.00 O ATOM 814 CB ALA A 55 14.345 -9.215 2.917 1.00 0.00 C ATOM 0 H ALA A 55 12.661 -7.580 4.831 1.00 0.00 H new ATOM 0 HA ALA A 55 13.266 -10.385 4.331 1.00 0.00 H new ATOM 0 HB1 ALA A 55 15.186 -9.908 2.887 1.00 0.00 H new ATOM 0 HB2 ALA A 55 13.658 -9.443 2.102 1.00 0.00 H new ATOM 0 HB3 ALA A 55 14.712 -8.194 2.808 1.00 0.00 H new ATOM 820 N GLU A 56 14.134 -9.625 6.593 1.00 0.00 N ATOM 821 CA GLU A 56 14.907 -9.453 7.811 1.00 0.00 C ATOM 822 C GLU A 56 14.979 -7.972 8.190 1.00 0.00 C ATOM 823 O GLU A 56 14.774 -7.101 7.346 1.00 0.00 O ATOM 824 CB GLU A 56 16.308 -10.049 7.659 1.00 0.00 C ATOM 825 CG GLU A 56 16.729 -10.790 8.929 1.00 0.00 C ATOM 826 CD GLU A 56 16.854 -12.293 8.671 1.00 0.00 C ATOM 827 OE1 GLU A 56 17.899 -12.688 8.111 1.00 0.00 O ATOM 828 OE2 GLU A 56 15.901 -13.013 9.039 1.00 0.00 O ATOM 0 H GLU A 56 13.285 -10.180 6.702 1.00 0.00 H new ATOM 0 HA GLU A 56 14.405 -9.989 8.616 1.00 0.00 H new ATOM 0 HB2 GLU A 56 16.326 -10.734 6.811 1.00 0.00 H new ATOM 0 HB3 GLU A 56 17.023 -9.255 7.443 1.00 0.00 H new ATOM 0 HG2 GLU A 56 17.682 -10.398 9.284 1.00 0.00 H new ATOM 0 HG3 GLU A 56 15.998 -10.612 9.717 1.00 0.00 H new ATOM 835 N CYS A 57 15.271 -7.733 9.460 1.00 0.00 N ATOM 836 CA CYS A 57 15.372 -6.373 9.961 1.00 0.00 C ATOM 837 C CYS A 57 16.808 -6.141 10.434 1.00 0.00 C ATOM 838 O CYS A 57 17.124 -6.361 11.603 1.00 0.00 O ATOM 839 CB CYS A 57 14.354 -6.101 11.071 1.00 0.00 C ATOM 840 SG CYS A 57 14.434 -7.260 12.485 1.00 0.00 S ATOM 0 H CYS A 57 15.441 -8.458 10.157 1.00 0.00 H new ATOM 0 HA CYS A 57 15.136 -5.670 9.162 1.00 0.00 H new ATOM 0 HB2 CYS A 57 14.503 -5.087 11.441 1.00 0.00 H new ATOM 0 HB3 CYS A 57 13.352 -6.140 10.644 1.00 0.00 H new ATOM 0 HG CYS A 57 15.677 -7.489 12.789 1.00 0.00 H new ATOM 845 N THR A 58 17.641 -5.699 9.503 1.00 0.00 N ATOM 846 CA THR A 58 19.036 -5.435 9.810 1.00 0.00 C ATOM 847 C THR A 58 19.465 -4.088 9.224 1.00 0.00 C ATOM 848 O THR A 58 20.050 -3.262 9.923 1.00 0.00 O ATOM 849 CB THR A 58 19.865 -6.613 9.296 1.00 0.00 C ATOM 850 OG1 THR A 58 21.214 -6.212 9.516 1.00 0.00 O ATOM 851 CG2 THR A 58 19.769 -6.778 7.777 1.00 0.00 C ATOM 0 H THR A 58 17.376 -5.517 8.535 1.00 0.00 H new ATOM 0 HA THR A 58 19.195 -5.352 10.885 1.00 0.00 H new ATOM 0 HB THR A 58 19.533 -7.530 9.783 1.00 0.00 H new ATOM 0 HG1 THR A 58 21.819 -6.920 9.212 1.00 0.00 H new ATOM 0 HG21 THR A 58 20.376 -7.628 7.464 1.00 0.00 H new ATOM 0 HG22 THR A 58 18.730 -6.950 7.495 1.00 0.00 H new ATOM 0 HG23 THR A 58 20.133 -5.874 7.289 1.00 0.00 H new ATOM 859 N PHE A 59 19.158 -3.909 7.948 1.00 0.00 N ATOM 860 CA PHE A 59 19.505 -2.677 7.260 1.00 0.00 C ATOM 861 C PHE A 59 18.863 -1.468 7.944 1.00 0.00 C ATOM 862 O PHE A 59 19.144 -0.326 7.585 1.00 0.00 O ATOM 863 CB PHE A 59 18.960 -2.792 5.835 1.00 0.00 C ATOM 864 CG PHE A 59 18.757 -1.445 5.137 1.00 0.00 C ATOM 865 CD1 PHE A 59 19.835 -0.706 4.760 1.00 0.00 C ATOM 866 CD2 PHE A 59 17.500 -0.988 4.893 1.00 0.00 C ATOM 867 CE1 PHE A 59 19.647 0.543 4.111 1.00 0.00 C ATOM 868 CE2 PHE A 59 17.312 0.261 4.245 1.00 0.00 C ATOM 869 CZ PHE A 59 18.389 1.000 3.868 1.00 0.00 C ATOM 0 H PHE A 59 18.673 -4.597 7.372 1.00 0.00 H new ATOM 0 HA PHE A 59 20.586 -2.535 7.272 1.00 0.00 H new ATOM 0 HB2 PHE A 59 19.646 -3.397 5.242 1.00 0.00 H new ATOM 0 HB3 PHE A 59 18.008 -3.323 5.862 1.00 0.00 H new ATOM 0 HD1 PHE A 59 20.833 -1.069 4.954 1.00 0.00 H new ATOM 0 HD2 PHE A 59 16.644 -1.575 5.192 1.00 0.00 H new ATOM 0 HE1 PHE A 59 20.502 1.130 3.810 1.00 0.00 H new ATOM 0 HE2 PHE A 59 16.313 0.624 4.052 1.00 0.00 H new ATOM 0 HZ PHE A 59 18.246 1.950 3.375 1.00 0.00 H new TER 879 PHE A 59