USER MOD reduce.3.24.130724 H: found=0, std=0, add=560, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 560 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 9 TYR OH : rot 178:sc= 0.123 USER MOD Set 1.2: A 32 LYS NZ :NH3+ 163:sc= 0.301 (180deg=-0.433) USER MOD Single : A 5 HIS : no HD1:sc= -0.749 K(o=-0.75,f=-0.084) USER MOD Single : A 6 TYR OH : rot 152:sc= 0.978 USER MOD Single : A 15 HIS : no HD1:sc= -0.512 K(o=-0.51,f=-1.5!) USER MOD Single : A 16 GLN : amide:sc= -0.218 K(o=-0.22,f=-0.85) USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ -136:sc= -0.0237 (180deg=-1.17) USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot 38:sc= 0.298 USER MOD Single : A 43 THR OG1 : rot 170:sc= -0.328 USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 SER OG : rot -37:sc= 0.888 USER MOD Single : A 62 CYS SG : rot -170:sc= -0.306 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 SER OG : rot 96:sc= 1.11 USER MOD Single : A 70 HIS : no HD1:sc= -1.71 K(o=-1.7,f=-2.8!) USER MOD ----------------------------------------------------------------- ATOM 34 N VAL A 3 6.912 1.173 -10.691 1.00 0.00 N ATOM 35 CA VAL A 3 6.455 1.918 -9.484 1.00 0.00 C ATOM 36 C VAL A 3 6.121 3.364 -9.860 1.00 0.00 C ATOM 37 O VAL A 3 6.802 3.984 -10.654 1.00 0.00 O ATOM 38 CB VAL A 3 7.566 1.907 -8.428 1.00 0.00 C ATOM 39 CG1 VAL A 3 7.814 0.469 -7.971 1.00 0.00 C ATOM 40 CG2 VAL A 3 8.857 2.481 -9.023 1.00 0.00 C ATOM 0 HA VAL A 3 5.563 1.438 -9.082 1.00 0.00 H new ATOM 0 HB VAL A 3 7.261 2.517 -7.578 1.00 0.00 H new ATOM 0 HG11 VAL A 3 8.604 0.457 -7.220 1.00 0.00 H new ATOM 0 HG12 VAL A 3 6.899 0.061 -7.542 1.00 0.00 H new ATOM 0 HG13 VAL A 3 8.116 -0.137 -8.825 1.00 0.00 H new ATOM 0 HG21 VAL A 3 9.642 2.470 -8.267 1.00 0.00 H new ATOM 0 HG22 VAL A 3 9.165 1.876 -9.875 1.00 0.00 H new ATOM 0 HG23 VAL A 3 8.683 3.506 -9.350 1.00 0.00 H new ATOM 50 N ALA A 4 5.071 3.902 -9.294 1.00 0.00 N ATOM 51 CA ALA A 4 4.674 5.310 -9.608 1.00 0.00 C ATOM 52 C ALA A 4 5.188 6.238 -8.504 1.00 0.00 C ATOM 53 O ALA A 4 5.165 5.904 -7.335 1.00 0.00 O ATOM 54 CB ALA A 4 3.147 5.399 -9.679 1.00 0.00 C ATOM 0 H ALA A 4 4.468 3.425 -8.624 1.00 0.00 H new ATOM 0 HA ALA A 4 5.102 5.609 -10.565 1.00 0.00 H new ATOM 0 HB1 ALA A 4 2.852 6.423 -9.908 1.00 0.00 H new ATOM 0 HB2 ALA A 4 2.780 4.733 -10.460 1.00 0.00 H new ATOM 0 HB3 ALA A 4 2.720 5.104 -8.720 1.00 0.00 H new ATOM 60 N HIS A 5 5.660 7.399 -8.869 1.00 0.00 N ATOM 61 CA HIS A 5 6.190 8.353 -7.852 1.00 0.00 C ATOM 62 C HIS A 5 5.046 9.151 -7.228 1.00 0.00 C ATOM 63 O HIS A 5 4.040 9.414 -7.857 1.00 0.00 O ATOM 64 CB HIS A 5 7.172 9.310 -8.523 1.00 0.00 C ATOM 65 CG HIS A 5 8.361 8.533 -9.008 1.00 0.00 C ATOM 66 ND1 HIS A 5 9.424 9.135 -9.661 1.00 0.00 N ATOM 67 CD2 HIS A 5 8.666 7.197 -8.946 1.00 0.00 C ATOM 68 CE1 HIS A 5 10.312 8.171 -9.964 1.00 0.00 C ATOM 69 NE2 HIS A 5 9.899 6.970 -9.550 1.00 0.00 N ATOM 0 H HIS A 5 5.702 7.730 -9.833 1.00 0.00 H new ATOM 0 HA HIS A 5 6.697 7.792 -7.067 1.00 0.00 H new ATOM 0 HB2 HIS A 5 6.690 9.820 -9.357 1.00 0.00 H new ATOM 0 HB3 HIS A 5 7.488 10.080 -7.819 1.00 0.00 H new ATOM 0 HD2 HIS A 5 8.044 6.437 -8.497 1.00 0.00 H new ATOM 0 HE1 HIS A 5 11.245 8.347 -10.479 1.00 0.00 H new ATOM 0 HE2 HIS A 5 10.383 6.078 -9.654 1.00 0.00 H new ATOM 77 N TYR A 6 5.199 9.546 -5.992 1.00 0.00 N ATOM 78 CA TYR A 6 4.131 10.336 -5.315 1.00 0.00 C ATOM 79 C TYR A 6 4.759 11.202 -4.218 1.00 0.00 C ATOM 80 O TYR A 6 5.297 10.707 -3.248 1.00 0.00 O ATOM 81 CB TYR A 6 3.101 9.380 -4.707 1.00 0.00 C ATOM 82 CG TYR A 6 2.046 10.172 -3.973 1.00 0.00 C ATOM 83 CD1 TYR A 6 1.090 10.900 -4.693 1.00 0.00 C ATOM 84 CD2 TYR A 6 2.023 10.182 -2.573 1.00 0.00 C ATOM 85 CE1 TYR A 6 0.113 11.636 -4.013 1.00 0.00 C ATOM 86 CE2 TYR A 6 1.047 10.919 -1.893 1.00 0.00 C ATOM 87 CZ TYR A 6 0.092 11.647 -2.613 1.00 0.00 C ATOM 88 OH TYR A 6 -0.870 12.374 -1.943 1.00 0.00 O ATOM 0 H TYR A 6 6.022 9.354 -5.420 1.00 0.00 H new ATOM 0 HA TYR A 6 3.633 10.982 -6.038 1.00 0.00 H new ATOM 0 HB2 TYR A 6 2.640 8.780 -5.491 1.00 0.00 H new ATOM 0 HB3 TYR A 6 3.592 8.688 -4.023 1.00 0.00 H new ATOM 0 HD1 TYR A 6 1.107 10.893 -5.773 1.00 0.00 H new ATOM 0 HD2 TYR A 6 2.759 9.620 -2.017 1.00 0.00 H new ATOM 0 HE1 TYR A 6 -0.625 12.196 -4.568 1.00 0.00 H new ATOM 0 HE2 TYR A 6 1.030 10.926 -0.813 1.00 0.00 H new ATOM 0 HH TYR A 6 -1.047 11.959 -1.073 1.00 0.00 H new ATOM 98 N ARG A 7 4.695 12.497 -4.374 1.00 0.00 N ATOM 99 CA ARG A 7 5.287 13.415 -3.358 1.00 0.00 C ATOM 100 C ARG A 7 6.741 13.020 -3.082 1.00 0.00 C ATOM 101 O ARG A 7 7.256 13.227 -2.000 1.00 0.00 O ATOM 102 CB ARG A 7 4.480 13.343 -2.061 1.00 0.00 C ATOM 103 CG ARG A 7 3.049 13.821 -2.329 1.00 0.00 C ATOM 104 CD ARG A 7 2.219 13.714 -1.048 1.00 0.00 C ATOM 105 NE ARG A 7 2.557 14.857 -0.144 1.00 0.00 N ATOM 106 CZ ARG A 7 3.467 14.728 0.788 1.00 0.00 C ATOM 107 NH1 ARG A 7 4.128 13.610 0.921 1.00 0.00 N ATOM 108 NH2 ARG A 7 3.727 15.732 1.580 1.00 0.00 N ATOM 0 H ARG A 7 4.255 12.962 -5.168 1.00 0.00 H new ATOM 0 HA ARG A 7 5.260 14.435 -3.743 1.00 0.00 H new ATOM 0 HB2 ARG A 7 4.470 12.321 -1.682 1.00 0.00 H new ATOM 0 HB3 ARG A 7 4.945 13.963 -1.295 1.00 0.00 H new ATOM 0 HG2 ARG A 7 3.060 14.853 -2.681 1.00 0.00 H new ATOM 0 HG3 ARG A 7 2.597 13.220 -3.118 1.00 0.00 H new ATOM 0 HD2 ARG A 7 1.156 13.727 -1.288 1.00 0.00 H new ATOM 0 HD3 ARG A 7 2.422 12.767 -0.548 1.00 0.00 H new ATOM 0 HE ARG A 7 2.072 15.748 -0.255 1.00 0.00 H new ATOM 0 HH11 ARG A 7 3.937 12.827 0.295 1.00 0.00 H new ATOM 0 HH12 ARG A 7 4.835 13.519 1.650 1.00 0.00 H new ATOM 0 HH21 ARG A 7 3.222 16.612 1.471 1.00 0.00 H new ATOM 0 HH22 ARG A 7 4.435 15.637 2.308 1.00 0.00 H new ATOM 122 N GLY A 8 7.414 12.471 -4.059 1.00 0.00 N ATOM 123 CA GLY A 8 8.845 12.079 -3.866 1.00 0.00 C ATOM 124 C GLY A 8 8.931 10.642 -3.346 1.00 0.00 C ATOM 125 O GLY A 8 10.006 10.109 -3.151 1.00 0.00 O ATOM 0 H GLY A 8 7.035 12.276 -4.986 1.00 0.00 H new ATOM 0 HA2 GLY A 8 9.384 12.166 -4.809 1.00 0.00 H new ATOM 0 HA3 GLY A 8 9.324 12.758 -3.161 1.00 0.00 H new ATOM 129 N TYR A 9 7.808 10.012 -3.120 1.00 0.00 N ATOM 130 CA TYR A 9 7.807 8.604 -2.610 1.00 0.00 C ATOM 131 C TYR A 9 7.395 7.649 -3.730 1.00 0.00 C ATOM 132 O TYR A 9 6.531 7.948 -4.532 1.00 0.00 O ATOM 133 CB TYR A 9 6.814 8.487 -1.453 1.00 0.00 C ATOM 134 CG TYR A 9 7.322 9.284 -0.278 1.00 0.00 C ATOM 135 CD1 TYR A 9 7.000 10.640 -0.157 1.00 0.00 C ATOM 136 CD2 TYR A 9 8.120 8.664 0.691 1.00 0.00 C ATOM 137 CE1 TYR A 9 7.477 11.378 0.933 1.00 0.00 C ATOM 138 CE2 TYR A 9 8.598 9.401 1.780 1.00 0.00 C ATOM 139 CZ TYR A 9 8.276 10.758 1.901 1.00 0.00 C ATOM 140 OH TYR A 9 8.748 11.486 2.974 1.00 0.00 O ATOM 0 H TYR A 9 6.882 10.414 -3.268 1.00 0.00 H new ATOM 0 HA TYR A 9 8.808 8.344 -2.265 1.00 0.00 H new ATOM 0 HB2 TYR A 9 5.835 8.854 -1.760 1.00 0.00 H new ATOM 0 HB3 TYR A 9 6.688 7.442 -1.171 1.00 0.00 H new ATOM 0 HD1 TYR A 9 6.384 11.117 -0.904 1.00 0.00 H new ATOM 0 HD2 TYR A 9 8.367 7.617 0.598 1.00 0.00 H new ATOM 0 HE1 TYR A 9 7.229 12.425 1.027 1.00 0.00 H new ATOM 0 HE2 TYR A 9 9.215 8.923 2.527 1.00 0.00 H new ATOM 0 HH TYR A 9 9.259 10.898 3.569 1.00 0.00 H new ATOM 150 N GLU A 10 8.010 6.498 -3.786 1.00 0.00 N ATOM 151 CA GLU A 10 7.664 5.508 -4.847 1.00 0.00 C ATOM 152 C GLU A 10 6.544 4.600 -4.350 1.00 0.00 C ATOM 153 O GLU A 10 6.465 4.279 -3.180 1.00 0.00 O ATOM 154 CB GLU A 10 8.891 4.655 -5.168 1.00 0.00 C ATOM 155 CG GLU A 10 9.947 5.515 -5.862 1.00 0.00 C ATOM 156 CD GLU A 10 11.208 4.680 -6.093 1.00 0.00 C ATOM 157 OE1 GLU A 10 11.207 3.524 -5.705 1.00 0.00 O ATOM 158 OE2 GLU A 10 12.150 5.211 -6.657 1.00 0.00 O ATOM 0 H GLU A 10 8.740 6.200 -3.140 1.00 0.00 H new ATOM 0 HA GLU A 10 7.339 6.038 -5.742 1.00 0.00 H new ATOM 0 HB2 GLU A 10 9.300 4.229 -4.252 1.00 0.00 H new ATOM 0 HB3 GLU A 10 8.608 3.820 -5.810 1.00 0.00 H new ATOM 0 HG2 GLU A 10 9.563 5.886 -6.813 1.00 0.00 H new ATOM 0 HG3 GLU A 10 10.181 6.387 -5.251 1.00 0.00 H new ATOM 165 N ILE A 11 5.680 4.182 -5.241 1.00 0.00 N ATOM 166 CA ILE A 11 4.546 3.285 -4.860 1.00 0.00 C ATOM 167 C ILE A 11 4.634 1.995 -5.671 1.00 0.00 C ATOM 168 O ILE A 11 4.893 2.015 -6.858 1.00 0.00 O ATOM 169 CB ILE A 11 3.215 3.978 -5.160 1.00 0.00 C ATOM 170 CG1 ILE A 11 3.098 5.244 -4.308 1.00 0.00 C ATOM 171 CG2 ILE A 11 2.062 3.026 -4.826 1.00 0.00 C ATOM 172 CD1 ILE A 11 1.895 6.067 -4.775 1.00 0.00 C ATOM 0 H ILE A 11 5.713 4.428 -6.230 1.00 0.00 H new ATOM 0 HA ILE A 11 4.604 3.060 -3.795 1.00 0.00 H new ATOM 0 HB ILE A 11 3.171 4.247 -6.215 1.00 0.00 H new ATOM 0 HG12 ILE A 11 2.984 4.978 -3.257 1.00 0.00 H new ATOM 0 HG13 ILE A 11 4.010 5.835 -4.390 1.00 0.00 H new ATOM 0 HG21 ILE A 11 1.112 3.516 -5.038 1.00 0.00 H new ATOM 0 HG22 ILE A 11 2.148 2.124 -5.432 1.00 0.00 H new ATOM 0 HG23 ILE A 11 2.104 2.760 -3.770 1.00 0.00 H new ATOM 0 HD11 ILE A 11 1.813 6.968 -4.167 1.00 0.00 H new ATOM 0 HD12 ILE A 11 2.028 6.345 -5.820 1.00 0.00 H new ATOM 0 HD13 ILE A 11 0.986 5.475 -4.670 1.00 0.00 H new ATOM 184 N GLU A 12 4.426 0.873 -5.030 1.00 0.00 N ATOM 185 CA GLU A 12 4.490 -0.444 -5.737 1.00 0.00 C ATOM 186 C GLU A 12 3.122 -1.132 -5.625 1.00 0.00 C ATOM 187 O GLU A 12 2.886 -1.897 -4.709 1.00 0.00 O ATOM 188 CB GLU A 12 5.555 -1.320 -5.071 1.00 0.00 C ATOM 189 CG GLU A 12 5.917 -2.482 -5.998 1.00 0.00 C ATOM 190 CD GLU A 12 6.705 -3.533 -5.216 1.00 0.00 C ATOM 191 OE1 GLU A 12 7.793 -3.215 -4.764 1.00 0.00 O ATOM 192 OE2 GLU A 12 6.208 -4.639 -5.081 1.00 0.00 O ATOM 0 H GLU A 12 4.212 0.812 -4.035 1.00 0.00 H new ATOM 0 HA GLU A 12 4.745 -0.294 -6.786 1.00 0.00 H new ATOM 0 HB2 GLU A 12 6.443 -0.727 -4.851 1.00 0.00 H new ATOM 0 HB3 GLU A 12 5.183 -1.702 -4.120 1.00 0.00 H new ATOM 0 HG2 GLU A 12 5.012 -2.925 -6.413 1.00 0.00 H new ATOM 0 HG3 GLU A 12 6.509 -2.120 -6.839 1.00 0.00 H new ATOM 199 N PRO A 13 2.222 -0.855 -6.544 1.00 0.00 N ATOM 200 CA PRO A 13 0.853 -1.457 -6.536 1.00 0.00 C ATOM 201 C PRO A 13 0.893 -2.989 -6.603 1.00 0.00 C ATOM 202 O PRO A 13 1.753 -3.571 -7.234 1.00 0.00 O ATOM 203 CB PRO A 13 0.177 -0.875 -7.796 1.00 0.00 C ATOM 204 CG PRO A 13 0.982 0.333 -8.162 1.00 0.00 C ATOM 205 CD PRO A 13 2.405 0.060 -7.682 1.00 0.00 C ATOM 0 HA PRO A 13 0.317 -1.224 -5.616 1.00 0.00 H new ATOM 0 HB2 PRO A 13 0.169 -1.602 -8.608 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -0.861 -0.609 -7.597 1.00 0.00 H new ATOM 0 HG2 PRO A 13 0.961 0.503 -9.238 1.00 0.00 H new ATOM 0 HG3 PRO A 13 0.577 1.228 -7.690 1.00 0.00 H new ATOM 0 HD2 PRO A 13 3.012 -0.393 -8.466 1.00 0.00 H new ATOM 0 HD3 PRO A 13 2.908 0.978 -7.380 1.00 0.00 H new ATOM 213 N GLY A 14 -0.036 -3.641 -5.960 1.00 0.00 N ATOM 214 CA GLY A 14 -0.059 -5.130 -5.985 1.00 0.00 C ATOM 215 C GLY A 14 -1.189 -5.638 -5.088 1.00 0.00 C ATOM 216 O GLY A 14 -2.042 -4.884 -4.660 1.00 0.00 O ATOM 0 H GLY A 14 -0.782 -3.205 -5.417 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -0.203 -5.485 -7.005 1.00 0.00 H new ATOM 0 HA3 GLY A 14 0.897 -5.525 -5.642 1.00 0.00 H new ATOM 220 N HIS A 15 -1.202 -6.911 -4.798 1.00 0.00 N ATOM 221 CA HIS A 15 -2.274 -7.475 -3.925 1.00 0.00 C ATOM 222 C HIS A 15 -1.714 -8.651 -3.122 1.00 0.00 C ATOM 223 O HIS A 15 -0.917 -9.427 -3.610 1.00 0.00 O ATOM 224 CB HIS A 15 -3.434 -7.960 -4.797 1.00 0.00 C ATOM 225 CG HIS A 15 -2.922 -8.943 -5.816 1.00 0.00 C ATOM 226 ND1 HIS A 15 -2.173 -8.547 -6.912 1.00 0.00 N ATOM 227 CD2 HIS A 15 -3.051 -10.306 -5.922 1.00 0.00 C ATOM 228 CE1 HIS A 15 -1.883 -9.651 -7.625 1.00 0.00 C ATOM 229 NE2 HIS A 15 -2.395 -10.750 -7.066 1.00 0.00 N ATOM 0 H HIS A 15 -0.514 -7.588 -5.129 1.00 0.00 H new ATOM 0 HA HIS A 15 -2.628 -6.705 -3.240 1.00 0.00 H new ATOM 0 HB2 HIS A 15 -4.198 -8.429 -4.176 1.00 0.00 H new ATOM 0 HB3 HIS A 15 -3.905 -7.114 -5.297 1.00 0.00 H new ATOM 0 HD2 HIS A 15 -3.581 -10.937 -5.224 1.00 0.00 H new ATOM 0 HE1 HIS A 15 -1.306 -9.648 -8.538 1.00 0.00 H new ATOM 0 HE2 HIS A 15 -2.321 -11.709 -7.405 1.00 0.00 H new ATOM 237 N GLN A 16 -2.134 -8.789 -1.896 1.00 0.00 N ATOM 238 CA GLN A 16 -1.641 -9.916 -1.058 1.00 0.00 C ATOM 239 C GLN A 16 -2.596 -10.108 0.119 1.00 0.00 C ATOM 240 O GLN A 16 -3.224 -9.172 0.576 1.00 0.00 O ATOM 241 CB GLN A 16 -0.233 -9.596 -0.540 1.00 0.00 C ATOM 242 CG GLN A 16 0.325 -10.795 0.235 1.00 0.00 C ATOM 243 CD GLN A 16 0.500 -11.986 -0.711 1.00 0.00 C ATOM 244 OE1 GLN A 16 0.920 -11.824 -1.840 1.00 0.00 O ATOM 245 NE2 GLN A 16 0.190 -13.184 -0.297 1.00 0.00 N ATOM 0 H GLN A 16 -2.800 -8.167 -1.437 1.00 0.00 H new ATOM 0 HA GLN A 16 -1.599 -10.830 -1.651 1.00 0.00 H new ATOM 0 HB2 GLN A 16 0.425 -9.354 -1.375 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -0.265 -8.718 0.105 1.00 0.00 H new ATOM 0 HG2 GLN A 16 1.282 -10.534 0.687 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -0.350 -11.061 1.048 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -0.163 -13.321 0.650 1.00 0.00 H new ATOM 0 HE22 GLN A 16 0.300 -13.984 -0.921 1.00 0.00 H new ATOM 254 N TYR A 17 -2.714 -11.316 0.611 1.00 0.00 N ATOM 255 CA TYR A 17 -3.633 -11.585 1.761 1.00 0.00 C ATOM 256 C TYR A 17 -2.815 -11.876 3.014 1.00 0.00 C ATOM 257 O TYR A 17 -1.772 -12.498 2.960 1.00 0.00 O ATOM 258 CB TYR A 17 -4.523 -12.791 1.433 1.00 0.00 C ATOM 259 CG TYR A 17 -3.686 -14.046 1.369 1.00 0.00 C ATOM 260 CD1 TYR A 17 -3.443 -14.779 2.536 1.00 0.00 C ATOM 261 CD2 TYR A 17 -3.161 -14.479 0.146 1.00 0.00 C ATOM 262 CE1 TYR A 17 -2.675 -15.947 2.482 1.00 0.00 C ATOM 263 CE2 TYR A 17 -2.391 -15.647 0.092 1.00 0.00 C ATOM 264 CZ TYR A 17 -2.148 -16.381 1.259 1.00 0.00 C ATOM 265 OH TYR A 17 -1.392 -17.534 1.204 1.00 0.00 O ATOM 0 H TYR A 17 -2.211 -12.132 0.264 1.00 0.00 H new ATOM 0 HA TYR A 17 -4.259 -10.710 1.937 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -5.298 -12.899 2.192 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -5.029 -12.632 0.481 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -3.849 -14.443 3.479 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -3.350 -13.913 -0.754 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -2.489 -16.514 3.382 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -1.984 -15.982 -0.851 1.00 0.00 H new ATOM 0 HH TYR A 17 -1.105 -17.693 0.281 1.00 0.00 H new ATOM 275 N ARG A 18 -3.290 -11.428 4.147 1.00 0.00 N ATOM 276 CA ARG A 18 -2.556 -11.669 5.427 1.00 0.00 C ATOM 277 C ARG A 18 -3.182 -12.847 6.169 1.00 0.00 C ATOM 278 O ARG A 18 -4.386 -13.000 6.217 1.00 0.00 O ATOM 279 CB ARG A 18 -2.614 -10.419 6.311 1.00 0.00 C ATOM 280 CG ARG A 18 -1.712 -9.334 5.722 1.00 0.00 C ATOM 281 CD ARG A 18 -1.662 -8.136 6.671 1.00 0.00 C ATOM 282 NE ARG A 18 -0.683 -7.139 6.152 1.00 0.00 N ATOM 283 CZ ARG A 18 -0.146 -6.265 6.962 1.00 0.00 C ATOM 284 NH1 ARG A 18 -0.469 -6.259 8.225 1.00 0.00 N ATOM 285 NH2 ARG A 18 0.712 -5.395 6.503 1.00 0.00 N ATOM 0 H ARG A 18 -4.159 -10.903 4.242 1.00 0.00 H new ATOM 0 HA ARG A 18 -1.515 -11.897 5.198 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -3.640 -10.056 6.379 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -2.294 -10.662 7.324 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -0.708 -9.728 5.564 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -2.089 -9.023 4.748 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -2.650 -7.683 6.756 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -1.373 -8.461 7.671 1.00 0.00 H new ATOM 0 HE ARG A 18 -0.432 -7.139 5.163 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -1.142 -6.937 8.583 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -0.049 -5.576 8.856 1.00 0.00 H new ATOM 0 HH21 ARG A 18 0.962 -5.398 5.514 1.00 0.00 H new ATOM 0 HH22 ARG A 18 1.132 -4.712 7.133 1.00 0.00 H new ATOM 299 N ASP A 19 -2.364 -13.686 6.742 1.00 0.00 N ATOM 300 CA ASP A 19 -2.897 -14.865 7.480 1.00 0.00 C ATOM 301 C ASP A 19 -3.623 -14.391 8.741 1.00 0.00 C ATOM 302 O ASP A 19 -4.437 -15.097 9.302 1.00 0.00 O ATOM 303 CB ASP A 19 -1.737 -15.784 7.871 1.00 0.00 C ATOM 304 CG ASP A 19 -1.131 -16.408 6.613 1.00 0.00 C ATOM 305 OD1 ASP A 19 -1.895 -16.812 5.752 1.00 0.00 O ATOM 306 OD2 ASP A 19 0.084 -16.474 6.534 1.00 0.00 O ATOM 0 H ASP A 19 -1.347 -13.606 6.731 1.00 0.00 H new ATOM 0 HA ASP A 19 -3.595 -15.410 6.844 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -0.978 -15.218 8.411 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -2.090 -16.566 8.543 1.00 0.00 H new ATOM 311 N ASP A 20 -3.334 -13.198 9.187 1.00 0.00 N ATOM 312 CA ASP A 20 -4.011 -12.674 10.409 1.00 0.00 C ATOM 313 C ASP A 20 -5.510 -12.559 10.141 1.00 0.00 C ATOM 314 O ASP A 20 -6.331 -12.921 10.962 1.00 0.00 O ATOM 315 CB ASP A 20 -3.447 -11.292 10.749 1.00 0.00 C ATOM 316 CG ASP A 20 -2.024 -11.441 11.289 1.00 0.00 C ATOM 317 OD1 ASP A 20 -1.654 -12.553 11.630 1.00 0.00 O ATOM 318 OD2 ASP A 20 -1.326 -10.442 11.352 1.00 0.00 O ATOM 0 H ASP A 20 -2.659 -12.564 8.759 1.00 0.00 H new ATOM 0 HA ASP A 20 -3.838 -13.352 11.245 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -3.446 -10.659 9.861 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -4.079 -10.802 11.489 1.00 0.00 H new ATOM 323 N ILE A 21 -5.866 -12.060 8.986 1.00 0.00 N ATOM 324 CA ILE A 21 -7.308 -11.912 8.616 1.00 0.00 C ATOM 325 C ILE A 21 -7.647 -12.924 7.521 1.00 0.00 C ATOM 326 O ILE A 21 -8.766 -12.996 7.052 1.00 0.00 O ATOM 327 CB ILE A 21 -7.550 -10.489 8.105 1.00 0.00 C ATOM 328 CG1 ILE A 21 -6.424 -10.098 7.144 1.00 0.00 C ATOM 329 CG2 ILE A 21 -7.562 -9.521 9.290 1.00 0.00 C ATOM 330 CD1 ILE A 21 -6.802 -8.817 6.395 1.00 0.00 C ATOM 0 H ILE A 21 -5.210 -11.744 8.272 1.00 0.00 H new ATOM 0 HA ILE A 21 -7.940 -12.094 9.485 1.00 0.00 H new ATOM 0 HB ILE A 21 -8.507 -10.444 7.586 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -5.497 -9.946 7.698 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -6.243 -10.905 6.434 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -7.734 -8.507 8.930 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -8.358 -9.801 9.980 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -6.603 -9.565 9.805 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -5.997 -8.544 5.713 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -7.718 -8.984 5.828 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -6.961 -8.010 7.111 1.00 0.00 H new ATOM 342 N ARG A 22 -6.678 -13.704 7.115 1.00 0.00 N ATOM 343 CA ARG A 22 -6.910 -14.724 6.047 1.00 0.00 C ATOM 344 C ARG A 22 -7.770 -14.124 4.933 1.00 0.00 C ATOM 345 O ARG A 22 -8.646 -14.775 4.396 1.00 0.00 O ATOM 346 CB ARG A 22 -7.629 -15.940 6.640 1.00 0.00 C ATOM 347 CG ARG A 22 -6.700 -16.656 7.626 1.00 0.00 C ATOM 348 CD ARG A 22 -7.407 -17.887 8.200 1.00 0.00 C ATOM 349 NE ARG A 22 -6.522 -18.540 9.211 1.00 0.00 N ATOM 350 CZ ARG A 22 -5.634 -19.429 8.844 1.00 0.00 C ATOM 351 NH1 ARG A 22 -5.500 -19.747 7.585 1.00 0.00 N ATOM 352 NH2 ARG A 22 -4.874 -19.996 9.741 1.00 0.00 N ATOM 0 H ARG A 22 -5.726 -13.678 7.481 1.00 0.00 H new ATOM 0 HA ARG A 22 -5.948 -15.032 5.637 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -8.541 -15.624 7.147 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -7.927 -16.623 5.844 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -5.780 -16.954 7.123 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -6.417 -15.978 8.432 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -8.351 -17.596 8.661 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -7.645 -18.589 7.401 1.00 0.00 H new ATOM 0 HE ARG A 22 -6.610 -18.291 10.196 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -6.089 -19.302 6.881 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -4.806 -20.440 7.305 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -4.973 -19.746 10.725 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -4.181 -20.689 9.458 1.00 0.00 H new ATOM 366 N LYS A 23 -7.534 -12.885 4.585 1.00 0.00 N ATOM 367 CA LYS A 23 -8.345 -12.239 3.510 1.00 0.00 C ATOM 368 C LYS A 23 -7.443 -11.367 2.632 1.00 0.00 C ATOM 369 O LYS A 23 -6.344 -10.998 3.014 1.00 0.00 O ATOM 370 CB LYS A 23 -9.441 -11.369 4.158 1.00 0.00 C ATOM 371 CG LYS A 23 -10.638 -11.218 3.201 1.00 0.00 C ATOM 372 CD LYS A 23 -11.595 -12.409 3.355 1.00 0.00 C ATOM 373 CE LYS A 23 -12.664 -12.350 2.261 1.00 0.00 C ATOM 374 NZ LYS A 23 -13.451 -11.093 2.402 1.00 0.00 N ATOM 0 H LYS A 23 -6.814 -12.293 4.999 1.00 0.00 H new ATOM 0 HA LYS A 23 -8.807 -13.007 2.889 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -9.769 -11.822 5.093 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -9.037 -10.387 4.404 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -11.166 -10.288 3.412 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -10.284 -11.157 2.172 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -11.041 -13.345 3.287 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -12.064 -12.387 4.338 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -12.196 -12.390 1.278 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -13.323 -13.215 2.335 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -14.463 -11.303 2.288 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -13.286 -10.684 3.344 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -13.154 -10.414 1.673 1.00 0.00 H new ATOM 388 N TYR A 24 -7.909 -11.042 1.454 1.00 0.00 N ATOM 389 CA TYR A 24 -7.107 -10.202 0.523 1.00 0.00 C ATOM 390 C TYR A 24 -7.337 -8.725 0.829 1.00 0.00 C ATOM 391 O TYR A 24 -8.460 -8.267 0.941 1.00 0.00 O ATOM 392 CB TYR A 24 -7.543 -10.498 -0.912 1.00 0.00 C ATOM 393 CG TYR A 24 -7.047 -11.865 -1.311 1.00 0.00 C ATOM 394 CD1 TYR A 24 -7.815 -13.003 -1.036 1.00 0.00 C ATOM 395 CD2 TYR A 24 -5.811 -11.993 -1.954 1.00 0.00 C ATOM 396 CE1 TYR A 24 -7.346 -14.269 -1.405 1.00 0.00 C ATOM 397 CE2 TYR A 24 -5.341 -13.258 -2.322 1.00 0.00 C ATOM 398 CZ TYR A 24 -6.108 -14.396 -2.048 1.00 0.00 C ATOM 399 OH TYR A 24 -5.644 -15.644 -2.410 1.00 0.00 O ATOM 0 H TYR A 24 -8.821 -11.327 1.096 1.00 0.00 H new ATOM 0 HA TYR A 24 -6.048 -10.430 0.645 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -8.629 -10.455 -0.990 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -7.145 -9.742 -1.589 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -8.769 -12.904 -0.539 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -5.220 -11.115 -2.166 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -7.938 -15.147 -1.194 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -4.386 -13.356 -2.817 1.00 0.00 H new ATOM 0 HH TYR A 24 -4.771 -15.555 -2.847 1.00 0.00 H new ATOM 409 N VAL A 25 -6.275 -7.969 0.955 1.00 0.00 N ATOM 410 CA VAL A 25 -6.418 -6.513 1.248 1.00 0.00 C ATOM 411 C VAL A 25 -5.302 -5.736 0.527 1.00 0.00 C ATOM 412 O VAL A 25 -4.205 -6.233 0.370 1.00 0.00 O ATOM 413 CB VAL A 25 -6.308 -6.283 2.758 1.00 0.00 C ATOM 414 CG1 VAL A 25 -7.352 -7.138 3.476 1.00 0.00 C ATOM 415 CG2 VAL A 25 -4.908 -6.676 3.243 1.00 0.00 C ATOM 0 H VAL A 25 -5.314 -8.300 0.867 1.00 0.00 H new ATOM 0 HA VAL A 25 -7.390 -6.164 0.898 1.00 0.00 H new ATOM 0 HB VAL A 25 -6.481 -5.229 2.976 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -7.277 -6.977 4.551 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -8.349 -6.857 3.136 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -7.176 -8.190 3.253 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -4.835 -6.510 4.318 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -4.730 -7.729 3.025 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -4.162 -6.068 2.731 1.00 0.00 H new ATOM 425 N PRO A 26 -5.572 -4.525 0.090 1.00 0.00 N ATOM 426 CA PRO A 26 -4.568 -3.687 -0.618 1.00 0.00 C ATOM 427 C PRO A 26 -3.162 -3.848 -0.037 1.00 0.00 C ATOM 428 O PRO A 26 -2.887 -3.433 1.070 1.00 0.00 O ATOM 429 CB PRO A 26 -5.088 -2.264 -0.402 1.00 0.00 C ATOM 430 CG PRO A 26 -6.577 -2.401 -0.292 1.00 0.00 C ATOM 431 CD PRO A 26 -6.860 -3.824 0.218 1.00 0.00 C ATOM 0 HA PRO A 26 -4.467 -3.962 -1.668 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -4.666 -1.823 0.501 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -4.813 -1.614 -1.233 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -6.983 -1.657 0.394 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -7.052 -2.236 -1.259 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -7.205 -3.814 1.252 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -7.637 -4.310 -0.372 1.00 0.00 H new ATOM 439 N TYR A 27 -2.271 -4.444 -0.786 1.00 0.00 N ATOM 440 CA TYR A 27 -0.869 -4.643 -0.304 1.00 0.00 C ATOM 441 C TYR A 27 0.095 -3.965 -1.278 1.00 0.00 C ATOM 442 O TYR A 27 0.182 -4.337 -2.432 1.00 0.00 O ATOM 443 CB TYR A 27 -0.570 -6.143 -0.263 1.00 0.00 C ATOM 444 CG TYR A 27 0.785 -6.376 0.356 1.00 0.00 C ATOM 445 CD1 TYR A 27 1.935 -6.349 -0.441 1.00 0.00 C ATOM 446 CD2 TYR A 27 0.889 -6.626 1.729 1.00 0.00 C ATOM 447 CE1 TYR A 27 3.191 -6.569 0.136 1.00 0.00 C ATOM 448 CE2 TYR A 27 2.144 -6.847 2.306 1.00 0.00 C ATOM 449 CZ TYR A 27 3.295 -6.819 1.509 1.00 0.00 C ATOM 450 OH TYR A 27 4.532 -7.036 2.079 1.00 0.00 O ATOM 0 H TYR A 27 -2.456 -4.806 -1.722 1.00 0.00 H new ATOM 0 HA TYR A 27 -0.750 -4.212 0.690 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -1.337 -6.661 0.313 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -0.595 -6.556 -1.271 1.00 0.00 H new ATOM 0 HD1 TYR A 27 1.853 -6.158 -1.501 1.00 0.00 H new ATOM 0 HD2 TYR A 27 0.001 -6.648 2.343 1.00 0.00 H new ATOM 0 HE1 TYR A 27 4.079 -6.546 -0.478 1.00 0.00 H new ATOM 0 HE2 TYR A 27 2.225 -7.039 3.366 1.00 0.00 H new ATOM 0 HH TYR A 27 4.426 -7.193 3.041 1.00 0.00 H new ATOM 460 N ALA A 28 0.829 -2.979 -0.826 1.00 0.00 N ATOM 461 CA ALA A 28 1.800 -2.287 -1.741 1.00 0.00 C ATOM 462 C ALA A 28 3.072 -1.940 -0.970 1.00 0.00 C ATOM 463 O ALA A 28 3.070 -1.868 0.240 1.00 0.00 O ATOM 464 CB ALA A 28 1.166 -1.007 -2.294 1.00 0.00 C ATOM 0 H ALA A 28 0.802 -2.622 0.129 1.00 0.00 H new ATOM 0 HA ALA A 28 2.050 -2.950 -2.569 1.00 0.00 H new ATOM 0 HB1 ALA A 28 1.873 -0.508 -2.957 1.00 0.00 H new ATOM 0 HB2 ALA A 28 0.263 -1.259 -2.850 1.00 0.00 H new ATOM 0 HB3 ALA A 28 0.910 -0.342 -1.469 1.00 0.00 H new ATOM 470 N LEU A 29 4.161 -1.729 -1.670 1.00 0.00 N ATOM 471 CA LEU A 29 5.454 -1.390 -0.993 1.00 0.00 C ATOM 472 C LEU A 29 5.853 0.043 -1.356 1.00 0.00 C ATOM 473 O LEU A 29 5.793 0.442 -2.502 1.00 0.00 O ATOM 474 CB LEU A 29 6.542 -2.357 -1.471 1.00 0.00 C ATOM 475 CG LEU A 29 6.057 -3.801 -1.303 1.00 0.00 C ATOM 476 CD1 LEU A 29 7.139 -4.762 -1.801 1.00 0.00 C ATOM 477 CD2 LEU A 29 5.755 -4.085 0.176 1.00 0.00 C ATOM 0 H LEU A 29 4.210 -1.777 -2.688 1.00 0.00 H new ATOM 0 HA LEU A 29 5.338 -1.475 0.087 1.00 0.00 H new ATOM 0 HB2 LEU A 29 6.782 -2.163 -2.516 1.00 0.00 H new ATOM 0 HB3 LEU A 29 7.457 -2.201 -0.900 1.00 0.00 H new ATOM 0 HG LEU A 29 5.146 -3.944 -1.884 1.00 0.00 H new ATOM 0 HD11 LEU A 29 6.796 -5.790 -1.682 1.00 0.00 H new ATOM 0 HD12 LEU A 29 7.342 -4.567 -2.854 1.00 0.00 H new ATOM 0 HD13 LEU A 29 8.051 -4.615 -1.222 1.00 0.00 H new ATOM 0 HD21 LEU A 29 5.411 -5.113 0.286 1.00 0.00 H new ATOM 0 HD22 LEU A 29 6.660 -3.940 0.766 1.00 0.00 H new ATOM 0 HD23 LEU A 29 4.980 -3.404 0.526 1.00 0.00 H new ATOM 489 N ILE A 30 6.261 0.815 -0.379 1.00 0.00 N ATOM 490 CA ILE A 30 6.675 2.232 -0.633 1.00 0.00 C ATOM 491 C ILE A 30 8.178 2.374 -0.402 1.00 0.00 C ATOM 492 O ILE A 30 8.709 1.919 0.592 1.00 0.00 O ATOM 493 CB ILE A 30 5.919 3.168 0.318 1.00 0.00 C ATOM 494 CG1 ILE A 30 4.430 3.168 -0.051 1.00 0.00 C ATOM 495 CG2 ILE A 30 6.481 4.589 0.203 1.00 0.00 C ATOM 496 CD1 ILE A 30 3.624 3.912 1.020 1.00 0.00 C ATOM 0 H ILE A 30 6.326 0.521 0.596 1.00 0.00 H new ATOM 0 HA ILE A 30 6.440 2.498 -1.664 1.00 0.00 H new ATOM 0 HB ILE A 30 6.041 2.820 1.344 1.00 0.00 H new ATOM 0 HG12 ILE A 30 4.287 3.644 -1.021 1.00 0.00 H new ATOM 0 HG13 ILE A 30 4.070 2.143 -0.143 1.00 0.00 H new ATOM 0 HG21 ILE A 30 5.941 5.250 0.881 1.00 0.00 H new ATOM 0 HG22 ILE A 30 7.538 4.585 0.467 1.00 0.00 H new ATOM 0 HG23 ILE A 30 6.364 4.945 -0.821 1.00 0.00 H new ATOM 0 HD11 ILE A 30 2.568 3.907 0.750 1.00 0.00 H new ATOM 0 HD12 ILE A 30 3.755 3.417 1.983 1.00 0.00 H new ATOM 0 HD13 ILE A 30 3.976 4.941 1.090 1.00 0.00 H new ATOM 508 N ARG A 31 8.864 3.015 -1.317 1.00 0.00 N ATOM 509 CA ARG A 31 10.341 3.211 -1.171 1.00 0.00 C ATOM 510 C ARG A 31 10.663 4.698 -1.332 1.00 0.00 C ATOM 511 O ARG A 31 10.218 5.345 -2.260 1.00 0.00 O ATOM 512 CB ARG A 31 11.068 2.400 -2.248 1.00 0.00 C ATOM 513 CG ARG A 31 10.856 0.908 -1.978 1.00 0.00 C ATOM 514 CD ARG A 31 11.519 0.082 -3.081 1.00 0.00 C ATOM 515 NE ARG A 31 12.994 0.284 -3.029 1.00 0.00 N ATOM 516 CZ ARG A 31 13.762 -0.261 -3.932 1.00 0.00 C ATOM 517 NH1 ARG A 31 13.242 -0.997 -4.875 1.00 0.00 N ATOM 518 NH2 ARG A 31 15.052 -0.071 -3.889 1.00 0.00 N ATOM 0 H ARG A 31 8.461 3.414 -2.165 1.00 0.00 H new ATOM 0 HA ARG A 31 10.668 2.873 -0.188 1.00 0.00 H new ATOM 0 HB2 ARG A 31 10.689 2.661 -3.236 1.00 0.00 H new ATOM 0 HB3 ARG A 31 12.132 2.636 -2.243 1.00 0.00 H new ATOM 0 HG2 ARG A 31 11.277 0.641 -1.009 1.00 0.00 H new ATOM 0 HG3 ARG A 31 9.790 0.685 -1.935 1.00 0.00 H new ATOM 0 HD2 ARG A 31 11.280 -0.974 -2.954 1.00 0.00 H new ATOM 0 HD3 ARG A 31 11.134 0.380 -4.056 1.00 0.00 H new ATOM 0 HE ARG A 31 13.404 0.850 -2.286 1.00 0.00 H new ATOM 0 HH11 ARG A 31 12.234 -1.147 -4.907 1.00 0.00 H new ATOM 0 HH12 ARG A 31 13.844 -1.422 -5.580 1.00 0.00 H new ATOM 0 HH21 ARG A 31 15.459 0.503 -3.150 1.00 0.00 H new ATOM 0 HH22 ARG A 31 15.654 -0.496 -4.594 1.00 0.00 H new ATOM 532 N LYS A 32 11.422 5.244 -0.420 1.00 0.00 N ATOM 533 CA LYS A 32 11.766 6.693 -0.492 1.00 0.00 C ATOM 534 C LYS A 32 12.955 6.911 -1.430 1.00 0.00 C ATOM 535 O LYS A 32 13.910 6.161 -1.433 1.00 0.00 O ATOM 536 CB LYS A 32 12.112 7.198 0.910 1.00 0.00 C ATOM 537 CG LYS A 32 12.350 8.709 0.869 1.00 0.00 C ATOM 538 CD LYS A 32 12.594 9.220 2.290 1.00 0.00 C ATOM 539 CE LYS A 32 12.821 10.733 2.262 1.00 0.00 C ATOM 540 NZ LYS A 32 11.578 11.418 1.808 1.00 0.00 N ATOM 0 H LYS A 32 11.820 4.746 0.376 1.00 0.00 H new ATOM 0 HA LYS A 32 10.911 7.246 -0.881 1.00 0.00 H new ATOM 0 HB2 LYS A 32 11.301 6.966 1.601 1.00 0.00 H new ATOM 0 HB3 LYS A 32 13.002 6.690 1.281 1.00 0.00 H new ATOM 0 HG2 LYS A 32 13.208 8.937 0.236 1.00 0.00 H new ATOM 0 HG3 LYS A 32 11.488 9.213 0.432 1.00 0.00 H new ATOM 0 HD2 LYS A 32 11.740 8.982 2.924 1.00 0.00 H new ATOM 0 HD3 LYS A 32 13.461 8.720 2.723 1.00 0.00 H new ATOM 0 HE2 LYS A 32 13.101 11.087 3.254 1.00 0.00 H new ATOM 0 HE3 LYS A 32 13.646 10.974 1.592 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 11.626 12.426 2.058 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 11.485 11.321 0.777 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 10.754 10.985 2.272 1.00 0.00 H new ATOM 554 N VAL A 33 12.889 7.940 -2.228 1.00 0.00 N ATOM 555 CA VAL A 33 13.994 8.237 -3.184 1.00 0.00 C ATOM 556 C VAL A 33 15.273 8.579 -2.414 1.00 0.00 C ATOM 557 O VAL A 33 16.355 8.163 -2.774 1.00 0.00 O ATOM 558 CB VAL A 33 13.594 9.428 -4.059 1.00 0.00 C ATOM 559 CG1 VAL A 33 14.762 9.815 -4.970 1.00 0.00 C ATOM 560 CG2 VAL A 33 12.384 9.046 -4.914 1.00 0.00 C ATOM 0 H VAL A 33 12.108 8.595 -2.259 1.00 0.00 H new ATOM 0 HA VAL A 33 14.176 7.362 -3.808 1.00 0.00 H new ATOM 0 HB VAL A 33 13.339 10.275 -3.422 1.00 0.00 H new ATOM 0 HG11 VAL A 33 14.473 10.663 -5.591 1.00 0.00 H new ATOM 0 HG12 VAL A 33 15.624 10.088 -4.361 1.00 0.00 H new ATOM 0 HG13 VAL A 33 15.022 8.970 -5.608 1.00 0.00 H new ATOM 0 HG21 VAL A 33 12.097 9.893 -5.538 1.00 0.00 H new ATOM 0 HG22 VAL A 33 12.640 8.198 -5.549 1.00 0.00 H new ATOM 0 HG23 VAL A 33 11.551 8.775 -4.265 1.00 0.00 H new ATOM 643 N THR A 39 14.363 -0.555 5.048 1.00 0.00 N ATOM 644 CA THR A 39 13.300 -1.596 5.048 1.00 0.00 C ATOM 645 C THR A 39 11.974 -0.993 4.543 1.00 0.00 C ATOM 646 O THR A 39 11.563 0.052 5.007 1.00 0.00 O ATOM 647 CB THR A 39 13.108 -2.113 6.477 1.00 0.00 C ATOM 648 OG1 THR A 39 14.374 -2.441 7.034 1.00 0.00 O ATOM 649 CG2 THR A 39 12.221 -3.356 6.453 1.00 0.00 C ATOM 0 HA THR A 39 13.594 -2.414 4.391 1.00 0.00 H new ATOM 0 HB THR A 39 12.634 -1.342 7.084 1.00 0.00 H new ATOM 0 HG1 THR A 39 15.041 -1.788 6.737 1.00 0.00 H new ATOM 0 HG21 THR A 39 12.084 -3.725 7.470 1.00 0.00 H new ATOM 0 HG22 THR A 39 11.251 -3.103 6.025 1.00 0.00 H new ATOM 0 HG23 THR A 39 12.694 -4.129 5.847 1.00 0.00 H new ATOM 657 N PRO A 40 11.297 -1.635 3.608 1.00 0.00 N ATOM 658 CA PRO A 40 10.002 -1.117 3.076 1.00 0.00 C ATOM 659 C PRO A 40 8.856 -1.310 4.075 1.00 0.00 C ATOM 660 O PRO A 40 8.871 -2.221 4.879 1.00 0.00 O ATOM 661 CB PRO A 40 9.778 -1.945 1.802 1.00 0.00 C ATOM 662 CG PRO A 40 10.472 -3.242 2.063 1.00 0.00 C ATOM 663 CD PRO A 40 11.669 -2.912 2.962 1.00 0.00 C ATOM 0 HA PRO A 40 10.030 -0.044 2.886 1.00 0.00 H new ATOM 0 HB2 PRO A 40 8.716 -2.096 1.610 1.00 0.00 H new ATOM 0 HB3 PRO A 40 10.192 -1.444 0.927 1.00 0.00 H new ATOM 0 HG2 PRO A 40 9.803 -3.951 2.550 1.00 0.00 H new ATOM 0 HG3 PRO A 40 10.800 -3.703 1.131 1.00 0.00 H new ATOM 0 HD2 PRO A 40 11.841 -3.696 3.699 1.00 0.00 H new ATOM 0 HD3 PRO A 40 12.587 -2.813 2.382 1.00 0.00 H new ATOM 671 N ILE A 41 7.863 -0.459 4.021 1.00 0.00 N ATOM 672 CA ILE A 41 6.698 -0.575 4.955 1.00 0.00 C ATOM 673 C ILE A 41 5.437 -0.883 4.137 1.00 0.00 C ATOM 674 O ILE A 41 4.851 0.004 3.548 1.00 0.00 O ATOM 675 CB ILE A 41 6.505 0.753 5.696 1.00 0.00 C ATOM 676 CG1 ILE A 41 7.799 1.131 6.440 1.00 0.00 C ATOM 677 CG2 ILE A 41 5.353 0.617 6.697 1.00 0.00 C ATOM 678 CD1 ILE A 41 8.272 -0.024 7.336 1.00 0.00 C ATOM 0 H ILE A 41 7.808 0.319 3.364 1.00 0.00 H new ATOM 0 HA ILE A 41 6.880 -1.371 5.677 1.00 0.00 H new ATOM 0 HB ILE A 41 6.268 1.536 4.975 1.00 0.00 H new ATOM 0 HG12 ILE A 41 8.578 1.381 5.720 1.00 0.00 H new ATOM 0 HG13 ILE A 41 7.628 2.021 7.046 1.00 0.00 H new ATOM 0 HG21 ILE A 41 5.216 1.561 7.224 1.00 0.00 H new ATOM 0 HG22 ILE A 41 4.437 0.362 6.165 1.00 0.00 H new ATOM 0 HG23 ILE A 41 5.586 -0.169 7.415 1.00 0.00 H new ATOM 0 HD11 ILE A 41 9.188 0.267 7.851 1.00 0.00 H new ATOM 0 HD12 ILE A 41 7.500 -0.255 8.070 1.00 0.00 H new ATOM 0 HD13 ILE A 41 8.464 -0.905 6.723 1.00 0.00 H new ATOM 690 N PRO A 42 5.014 -2.129 4.089 1.00 0.00 N ATOM 691 CA PRO A 42 3.803 -2.520 3.314 1.00 0.00 C ATOM 692 C PRO A 42 2.590 -1.641 3.639 1.00 0.00 C ATOM 693 O PRO A 42 2.314 -1.341 4.784 1.00 0.00 O ATOM 694 CB PRO A 42 3.549 -3.972 3.749 1.00 0.00 C ATOM 695 CG PRO A 42 4.887 -4.491 4.160 1.00 0.00 C ATOM 696 CD PRO A 42 5.639 -3.295 4.743 1.00 0.00 C ATOM 0 HA PRO A 42 3.955 -2.405 2.241 1.00 0.00 H new ATOM 0 HB2 PRO A 42 2.837 -4.018 4.573 1.00 0.00 H new ATOM 0 HB3 PRO A 42 3.131 -4.561 2.933 1.00 0.00 H new ATOM 0 HG2 PRO A 42 4.787 -5.287 4.898 1.00 0.00 H new ATOM 0 HG3 PRO A 42 5.422 -4.911 3.308 1.00 0.00 H new ATOM 0 HD2 PRO A 42 5.536 -3.248 5.827 1.00 0.00 H new ATOM 0 HD3 PRO A 42 6.706 -3.350 4.527 1.00 0.00 H new ATOM 704 N THR A 43 1.867 -1.229 2.628 1.00 0.00 N ATOM 705 CA THR A 43 0.669 -0.367 2.852 1.00 0.00 C ATOM 706 C THR A 43 -0.575 -1.245 2.907 1.00 0.00 C ATOM 707 O THR A 43 -0.758 -2.134 2.088 1.00 0.00 O ATOM 708 CB THR A 43 0.525 0.630 1.696 1.00 0.00 C ATOM 709 OG1 THR A 43 -0.191 0.012 0.635 1.00 0.00 O ATOM 710 CG2 THR A 43 1.908 1.055 1.194 1.00 0.00 C ATOM 0 H THR A 43 2.057 -1.455 1.652 1.00 0.00 H new ATOM 0 HA THR A 43 0.786 0.177 3.789 1.00 0.00 H new ATOM 0 HB THR A 43 -0.013 1.511 2.046 1.00 0.00 H new ATOM 0 HG1 THR A 43 -0.427 0.686 -0.037 1.00 0.00 H new ATOM 0 HG21 THR A 43 1.795 1.763 0.373 1.00 0.00 H new ATOM 0 HG22 THR A 43 2.461 1.526 2.006 1.00 0.00 H new ATOM 0 HG23 THR A 43 2.454 0.178 0.845 1.00 0.00 H new ATOM 718 N THR A 44 -1.427 -0.992 3.869 1.00 0.00 N ATOM 719 CA THR A 44 -2.683 -1.783 4.024 1.00 0.00 C ATOM 720 C THR A 44 -3.836 -0.841 4.357 1.00 0.00 C ATOM 721 O THR A 44 -3.632 0.308 4.697 1.00 0.00 O ATOM 722 CB THR A 44 -2.514 -2.780 5.169 1.00 0.00 C ATOM 723 OG1 THR A 44 -2.369 -2.065 6.387 1.00 0.00 O ATOM 724 CG2 THR A 44 -1.275 -3.647 4.931 1.00 0.00 C ATOM 0 H THR A 44 -1.301 -0.257 4.565 1.00 0.00 H new ATOM 0 HA THR A 44 -2.894 -2.314 3.096 1.00 0.00 H new ATOM 0 HB THR A 44 -3.391 -3.426 5.221 1.00 0.00 H new ATOM 0 HG1 THR A 44 -2.262 -2.698 7.127 1.00 0.00 H new ATOM 0 HG21 THR A 44 -1.163 -4.355 5.752 1.00 0.00 H new ATOM 0 HG22 THR A 44 -1.388 -4.193 3.994 1.00 0.00 H new ATOM 0 HG23 THR A 44 -0.391 -3.011 4.876 1.00 0.00 H new ATOM 732 N TYR A 45 -5.050 -1.317 4.276 1.00 0.00 N ATOM 733 CA TYR A 45 -6.216 -0.445 4.603 1.00 0.00 C ATOM 734 C TYR A 45 -7.347 -1.319 5.186 1.00 0.00 C ATOM 735 O TYR A 45 -7.555 -2.429 4.738 1.00 0.00 O ATOM 736 CB TYR A 45 -6.688 0.264 3.315 1.00 0.00 C ATOM 737 CG TYR A 45 -7.209 1.643 3.653 1.00 0.00 C ATOM 738 CD1 TYR A 45 -6.319 2.633 4.082 1.00 0.00 C ATOM 739 CD2 TYR A 45 -8.577 1.923 3.564 1.00 0.00 C ATOM 740 CE1 TYR A 45 -6.793 3.905 4.417 1.00 0.00 C ATOM 741 CE2 TYR A 45 -9.054 3.196 3.902 1.00 0.00 C ATOM 742 CZ TYR A 45 -8.161 4.188 4.327 1.00 0.00 C ATOM 743 OH TYR A 45 -8.628 5.441 4.665 1.00 0.00 O ATOM 0 H TYR A 45 -5.285 -2.270 3.998 1.00 0.00 H new ATOM 0 HA TYR A 45 -5.936 0.308 5.339 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -5.863 0.340 2.607 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -7.470 -0.322 2.831 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -5.264 2.415 4.155 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -9.265 1.158 3.235 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -6.104 4.669 4.745 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -10.110 3.413 3.835 1.00 0.00 H new ATOM 0 HH TYR A 45 -9.600 5.471 4.545 1.00 0.00 H new ATOM 753 N PRO A 46 -8.074 -0.840 6.180 1.00 0.00 N ATOM 754 CA PRO A 46 -9.181 -1.632 6.803 1.00 0.00 C ATOM 755 C PRO A 46 -10.325 -1.906 5.817 1.00 0.00 C ATOM 756 O PRO A 46 -11.295 -1.177 5.755 1.00 0.00 O ATOM 757 CB PRO A 46 -9.657 -0.756 7.978 1.00 0.00 C ATOM 758 CG PRO A 46 -9.219 0.632 7.636 1.00 0.00 C ATOM 759 CD PRO A 46 -7.936 0.485 6.819 1.00 0.00 C ATOM 0 HA PRO A 46 -8.843 -2.618 7.121 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -10.739 -0.809 8.096 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -9.217 -1.087 8.919 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -9.987 1.153 7.064 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -9.041 1.217 8.538 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -7.841 1.278 6.078 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -7.051 0.533 7.453 1.00 0.00 H new ATOM 767 N GLU A 47 -10.213 -2.959 5.053 1.00 0.00 N ATOM 768 CA GLU A 47 -11.282 -3.303 4.072 1.00 0.00 C ATOM 769 C GLU A 47 -10.924 -4.623 3.389 1.00 0.00 C ATOM 770 O GLU A 47 -9.827 -5.126 3.537 1.00 0.00 O ATOM 771 CB GLU A 47 -11.412 -2.187 3.029 1.00 0.00 C ATOM 772 CG GLU A 47 -10.024 -1.740 2.566 1.00 0.00 C ATOM 773 CD GLU A 47 -10.170 -0.605 1.553 1.00 0.00 C ATOM 774 OE1 GLU A 47 -11.290 -0.336 1.151 1.00 0.00 O ATOM 775 OE2 GLU A 47 -9.159 -0.025 1.195 1.00 0.00 O ATOM 0 H GLU A 47 -9.420 -3.601 5.067 1.00 0.00 H new ATOM 0 HA GLU A 47 -12.236 -3.408 4.589 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -11.993 -2.540 2.177 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -11.952 -1.341 3.454 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -9.433 -1.407 3.419 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -9.491 -2.578 2.116 1.00 0.00 H new ATOM 782 N PHE A 48 -11.842 -5.193 2.650 1.00 0.00 N ATOM 783 CA PHE A 48 -11.568 -6.494 1.959 1.00 0.00 C ATOM 784 C PHE A 48 -11.975 -6.385 0.493 1.00 0.00 C ATOM 785 O PHE A 48 -12.928 -5.709 0.156 1.00 0.00 O ATOM 786 CB PHE A 48 -12.399 -7.595 2.617 1.00 0.00 C ATOM 787 CG PHE A 48 -12.116 -7.622 4.100 1.00 0.00 C ATOM 788 CD1 PHE A 48 -10.851 -8.000 4.560 1.00 0.00 C ATOM 789 CD2 PHE A 48 -13.117 -7.269 5.014 1.00 0.00 C ATOM 790 CE1 PHE A 48 -10.585 -8.028 5.933 1.00 0.00 C ATOM 791 CE2 PHE A 48 -12.852 -7.296 6.387 1.00 0.00 C ATOM 792 CZ PHE A 48 -11.586 -7.675 6.847 1.00 0.00 C ATOM 0 H PHE A 48 -12.775 -4.812 2.494 1.00 0.00 H new ATOM 0 HA PHE A 48 -10.506 -6.728 2.033 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -13.460 -7.418 2.442 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -12.159 -8.561 2.173 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -10.079 -8.270 3.855 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -14.094 -6.976 4.658 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -9.608 -8.322 6.288 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -13.624 -7.024 7.092 1.00 0.00 H new ATOM 0 HZ PHE A 48 -11.381 -7.695 7.907 1.00 0.00 H new ATOM 802 N TYR A 49 -11.275 -7.060 -0.383 1.00 0.00 N ATOM 803 CA TYR A 49 -11.643 -7.009 -1.832 1.00 0.00 C ATOM 804 C TYR A 49 -11.447 -8.388 -2.459 1.00 0.00 C ATOM 805 O TYR A 49 -10.377 -8.962 -2.424 1.00 0.00 O ATOM 806 CB TYR A 49 -10.767 -5.975 -2.553 1.00 0.00 C ATOM 807 CG TYR A 49 -11.354 -4.594 -2.355 1.00 0.00 C ATOM 808 CD1 TYR A 49 -12.564 -4.257 -2.973 1.00 0.00 C ATOM 809 CD2 TYR A 49 -10.695 -3.656 -1.555 1.00 0.00 C ATOM 810 CE1 TYR A 49 -13.114 -2.983 -2.790 1.00 0.00 C ATOM 811 CE2 TYR A 49 -11.243 -2.382 -1.373 1.00 0.00 C ATOM 812 CZ TYR A 49 -12.452 -2.045 -1.990 1.00 0.00 C ATOM 813 OH TYR A 49 -12.993 -0.788 -1.809 1.00 0.00 O ATOM 0 H TYR A 49 -10.468 -7.642 -0.160 1.00 0.00 H new ATOM 0 HA TYR A 49 -12.689 -6.718 -1.930 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -9.750 -6.009 -2.163 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -10.709 -6.209 -3.616 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -13.074 -4.981 -3.592 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -9.762 -3.915 -1.077 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -14.048 -2.724 -3.266 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -10.732 -1.658 -0.756 1.00 0.00 H new ATOM 0 HH TYR A 49 -12.408 -0.261 -1.225 1.00 0.00 H new ATOM 823 N ASP A 50 -12.487 -8.912 -3.038 1.00 0.00 N ATOM 824 CA ASP A 50 -12.403 -10.247 -3.688 1.00 0.00 C ATOM 825 C ASP A 50 -11.592 -10.141 -4.981 1.00 0.00 C ATOM 826 O ASP A 50 -10.912 -11.067 -5.379 1.00 0.00 O ATOM 827 CB ASP A 50 -13.817 -10.740 -4.009 1.00 0.00 C ATOM 828 CG ASP A 50 -13.774 -12.225 -4.372 1.00 0.00 C ATOM 829 OD1 ASP A 50 -12.751 -12.845 -4.131 1.00 0.00 O ATOM 830 OD2 ASP A 50 -14.765 -12.718 -4.885 1.00 0.00 O ATOM 0 H ASP A 50 -13.403 -8.467 -3.090 1.00 0.00 H new ATOM 0 HA ASP A 50 -11.913 -10.950 -3.015 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -14.471 -10.584 -3.151 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -14.234 -10.165 -4.836 1.00 0.00 H new ATOM 835 N LEU A 51 -11.683 -9.024 -5.654 1.00 0.00 N ATOM 836 CA LEU A 51 -10.947 -8.857 -6.943 1.00 0.00 C ATOM 837 C LEU A 51 -9.549 -8.289 -6.693 1.00 0.00 C ATOM 838 O LEU A 51 -9.368 -7.333 -5.964 1.00 0.00 O ATOM 839 CB LEU A 51 -11.728 -7.893 -7.838 1.00 0.00 C ATOM 840 CG LEU A 51 -13.162 -8.404 -8.030 1.00 0.00 C ATOM 841 CD1 LEU A 51 -13.941 -7.402 -8.886 1.00 0.00 C ATOM 842 CD2 LEU A 51 -13.146 -9.775 -8.727 1.00 0.00 C ATOM 0 H LEU A 51 -12.237 -8.217 -5.366 1.00 0.00 H new ATOM 0 HA LEU A 51 -10.849 -9.830 -7.425 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -11.744 -6.899 -7.390 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -11.234 -7.799 -8.805 1.00 0.00 H new ATOM 0 HG LEU A 51 -13.641 -8.510 -7.056 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -14.961 -7.759 -9.026 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -13.961 -6.434 -8.385 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -13.456 -7.298 -9.857 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -14.169 -10.128 -8.858 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -12.666 -9.682 -9.701 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -12.592 -10.487 -8.116 1.00 0.00 H new ATOM 854 N GLU A 52 -8.563 -8.879 -7.308 1.00 0.00 N ATOM 855 CA GLU A 52 -7.164 -8.396 -7.139 1.00 0.00 C ATOM 856 C GLU A 52 -7.007 -7.037 -7.825 1.00 0.00 C ATOM 857 O GLU A 52 -6.289 -6.173 -7.363 1.00 0.00 O ATOM 858 CB GLU A 52 -6.207 -9.412 -7.775 1.00 0.00 C ATOM 859 CG GLU A 52 -6.443 -9.471 -9.289 1.00 0.00 C ATOM 860 CD GLU A 52 -5.613 -10.606 -9.893 1.00 0.00 C ATOM 861 OE1 GLU A 52 -5.515 -11.644 -9.259 1.00 0.00 O ATOM 862 OE2 GLU A 52 -5.089 -10.417 -10.979 1.00 0.00 O ATOM 0 H GLU A 52 -8.667 -9.683 -7.927 1.00 0.00 H new ATOM 0 HA GLU A 52 -6.933 -8.289 -6.079 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -5.174 -9.131 -7.569 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -6.363 -10.397 -7.335 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -7.501 -9.630 -9.497 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -6.168 -8.521 -9.748 1.00 0.00 H new ATOM 869 N ALA A 53 -7.670 -6.852 -8.934 1.00 0.00 N ATOM 870 CA ALA A 53 -7.562 -5.560 -9.672 1.00 0.00 C ATOM 871 C ALA A 53 -8.072 -4.422 -8.787 1.00 0.00 C ATOM 872 O ALA A 53 -7.516 -3.341 -8.763 1.00 0.00 O ATOM 873 CB ALA A 53 -8.408 -5.635 -10.945 1.00 0.00 C ATOM 0 H ALA A 53 -8.285 -7.543 -9.363 1.00 0.00 H new ATOM 0 HA ALA A 53 -6.520 -5.374 -9.934 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -8.332 -4.693 -11.488 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -8.046 -6.447 -11.575 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -9.449 -5.818 -10.680 1.00 0.00 H new ATOM 879 N ASP A 54 -9.125 -4.659 -8.059 1.00 0.00 N ATOM 880 CA ASP A 54 -9.673 -3.597 -7.171 1.00 0.00 C ATOM 881 C ASP A 54 -8.629 -3.245 -6.111 1.00 0.00 C ATOM 882 O ASP A 54 -8.463 -2.101 -5.737 1.00 0.00 O ATOM 883 CB ASP A 54 -10.943 -4.115 -6.492 1.00 0.00 C ATOM 884 CG ASP A 54 -11.635 -2.969 -5.752 1.00 0.00 C ATOM 885 OD1 ASP A 54 -10.996 -1.952 -5.546 1.00 0.00 O ATOM 886 OD2 ASP A 54 -12.794 -3.130 -5.405 1.00 0.00 O ATOM 0 H ASP A 54 -9.632 -5.544 -8.040 1.00 0.00 H new ATOM 0 HA ASP A 54 -9.912 -2.709 -7.756 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -11.617 -4.540 -7.236 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -10.694 -4.914 -5.794 1.00 0.00 H new ATOM 891 N ALA A 55 -7.925 -4.227 -5.628 1.00 0.00 N ATOM 892 CA ALA A 55 -6.886 -3.972 -4.594 1.00 0.00 C ATOM 893 C ALA A 55 -5.775 -3.100 -5.185 1.00 0.00 C ATOM 894 O ALA A 55 -5.214 -2.255 -4.517 1.00 0.00 O ATOM 895 CB ALA A 55 -6.303 -5.310 -4.133 1.00 0.00 C ATOM 0 H ALA A 55 -8.025 -5.203 -5.907 1.00 0.00 H new ATOM 0 HA ALA A 55 -7.331 -3.453 -3.745 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -5.540 -5.133 -3.375 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -7.097 -5.927 -3.712 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -5.856 -5.825 -4.984 1.00 0.00 H new ATOM 901 N GLU A 56 -5.449 -3.306 -6.430 1.00 0.00 N ATOM 902 CA GLU A 56 -4.369 -2.496 -7.063 1.00 0.00 C ATOM 903 C GLU A 56 -4.774 -1.019 -7.082 1.00 0.00 C ATOM 904 O GLU A 56 -4.017 -0.153 -6.689 1.00 0.00 O ATOM 905 CB GLU A 56 -4.156 -2.980 -8.499 1.00 0.00 C ATOM 906 CG GLU A 56 -3.585 -4.398 -8.482 1.00 0.00 C ATOM 907 CD GLU A 56 -3.466 -4.916 -9.915 1.00 0.00 C ATOM 908 OE1 GLU A 56 -3.815 -4.177 -10.821 1.00 0.00 O ATOM 909 OE2 GLU A 56 -3.027 -6.042 -10.084 1.00 0.00 O ATOM 0 H GLU A 56 -5.883 -4.000 -7.038 1.00 0.00 H new ATOM 0 HA GLU A 56 -3.447 -2.610 -6.492 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -5.100 -2.964 -9.043 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -3.475 -2.309 -9.023 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -2.607 -4.402 -8.000 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -4.231 -5.055 -7.899 1.00 0.00 H new ATOM 916 N ARG A 57 -5.960 -0.725 -7.541 1.00 0.00 N ATOM 917 CA ARG A 57 -6.414 0.697 -7.590 1.00 0.00 C ATOM 918 C ARG A 57 -6.522 1.247 -6.165 1.00 0.00 C ATOM 919 O ARG A 57 -6.121 2.359 -5.880 1.00 0.00 O ATOM 920 CB ARG A 57 -7.787 0.765 -8.266 1.00 0.00 C ATOM 921 CG ARG A 57 -7.635 0.476 -9.761 1.00 0.00 C ATOM 922 CD ARG A 57 -9.012 0.481 -10.429 1.00 0.00 C ATOM 923 NE ARG A 57 -8.857 0.219 -11.888 1.00 0.00 N ATOM 924 CZ ARG A 57 -9.911 0.072 -12.646 1.00 0.00 C ATOM 925 NH1 ARG A 57 -11.106 0.157 -12.129 1.00 0.00 N ATOM 926 NH2 ARG A 57 -9.768 -0.161 -13.922 1.00 0.00 N ATOM 0 H ARG A 57 -6.636 -1.407 -7.885 1.00 0.00 H new ATOM 0 HA ARG A 57 -5.696 1.291 -8.155 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -8.464 0.041 -7.812 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -8.228 1.751 -8.118 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -6.993 1.226 -10.223 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -7.152 -0.490 -9.907 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -9.650 -0.279 -9.978 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -9.501 1.442 -10.271 1.00 0.00 H new ATOM 0 HE ARG A 57 -7.925 0.154 -12.296 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -11.218 0.338 -11.132 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -11.928 0.042 -12.722 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -8.834 -0.228 -14.327 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -10.590 -0.276 -14.515 1.00 0.00 H new ATOM 940 N VAL A 58 -7.061 0.467 -5.272 1.00 0.00 N ATOM 941 CA VAL A 58 -7.206 0.920 -3.860 1.00 0.00 C ATOM 942 C VAL A 58 -5.823 1.110 -3.237 1.00 0.00 C ATOM 943 O VAL A 58 -5.575 2.064 -2.526 1.00 0.00 O ATOM 944 CB VAL A 58 -7.987 -0.134 -3.073 1.00 0.00 C ATOM 945 CG1 VAL A 58 -7.995 0.234 -1.586 1.00 0.00 C ATOM 946 CG2 VAL A 58 -9.428 -0.192 -3.590 1.00 0.00 C ATOM 0 H VAL A 58 -7.410 -0.473 -5.460 1.00 0.00 H new ATOM 0 HA VAL A 58 -7.743 1.868 -3.832 1.00 0.00 H new ATOM 0 HB VAL A 58 -7.512 -1.107 -3.203 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -8.552 -0.519 -1.028 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -6.971 0.276 -1.216 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -8.468 1.207 -1.455 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -9.986 -0.943 -3.030 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -9.900 0.782 -3.461 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -9.425 -0.456 -4.647 1.00 0.00 H new ATOM 956 N SER A 59 -4.928 0.199 -3.486 1.00 0.00 N ATOM 957 CA SER A 59 -3.565 0.310 -2.900 1.00 0.00 C ATOM 958 C SER A 59 -2.938 1.645 -3.304 1.00 0.00 C ATOM 959 O SER A 59 -2.274 2.291 -2.517 1.00 0.00 O ATOM 960 CB SER A 59 -2.701 -0.840 -3.415 1.00 0.00 C ATOM 961 OG SER A 59 -2.540 -0.715 -4.823 1.00 0.00 O ATOM 0 H SER A 59 -5.082 -0.621 -4.072 1.00 0.00 H new ATOM 0 HA SER A 59 -3.630 0.260 -1.813 1.00 0.00 H new ATOM 0 HB2 SER A 59 -1.728 -0.827 -2.924 1.00 0.00 H new ATOM 0 HB3 SER A 59 -3.167 -1.796 -3.174 1.00 0.00 H new ATOM 0 HG SER A 59 -3.370 -0.376 -5.218 1.00 0.00 H new ATOM 967 N ILE A 60 -3.144 2.067 -4.519 1.00 0.00 N ATOM 968 CA ILE A 60 -2.559 3.365 -4.958 1.00 0.00 C ATOM 969 C ILE A 60 -3.172 4.500 -4.135 1.00 0.00 C ATOM 970 O ILE A 60 -2.482 5.378 -3.656 1.00 0.00 O ATOM 971 CB ILE A 60 -2.868 3.581 -6.440 1.00 0.00 C ATOM 972 CG1 ILE A 60 -2.097 2.555 -7.268 1.00 0.00 C ATOM 973 CG2 ILE A 60 -2.445 4.993 -6.857 1.00 0.00 C ATOM 974 CD1 ILE A 60 -2.609 2.571 -8.708 1.00 0.00 C ATOM 0 H ILE A 60 -3.689 1.573 -5.225 1.00 0.00 H new ATOM 0 HA ILE A 60 -1.479 3.352 -4.810 1.00 0.00 H new ATOM 0 HB ILE A 60 -3.938 3.463 -6.609 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -1.031 2.783 -7.248 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -2.219 1.560 -6.839 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -2.667 5.142 -7.914 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -2.992 5.727 -6.264 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -1.375 5.116 -6.690 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -2.058 1.839 -9.298 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -3.670 2.322 -8.720 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -2.464 3.564 -9.135 1.00 0.00 H new ATOM 986 N ALA A 61 -4.465 4.484 -3.964 1.00 0.00 N ATOM 987 CA ALA A 61 -5.126 5.557 -3.167 1.00 0.00 C ATOM 988 C ALA A 61 -4.720 5.423 -1.698 1.00 0.00 C ATOM 989 O ALA A 61 -4.503 6.400 -1.008 1.00 0.00 O ATOM 990 CB ALA A 61 -6.646 5.425 -3.297 1.00 0.00 C ATOM 0 H ALA A 61 -5.093 3.774 -4.341 1.00 0.00 H new ATOM 0 HA ALA A 61 -4.816 6.533 -3.539 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -7.130 6.209 -2.715 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -6.931 5.522 -4.344 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -6.960 4.450 -2.924 1.00 0.00 H new ATOM 996 N CYS A 62 -4.620 4.215 -1.218 1.00 0.00 N ATOM 997 CA CYS A 62 -4.233 3.999 0.206 1.00 0.00 C ATOM 998 C CYS A 62 -2.790 4.458 0.418 1.00 0.00 C ATOM 999 O CYS A 62 -2.476 5.142 1.371 1.00 0.00 O ATOM 1000 CB CYS A 62 -4.345 2.509 0.534 1.00 0.00 C ATOM 1001 SG CYS A 62 -3.540 2.168 2.118 1.00 0.00 S ATOM 0 H CYS A 62 -4.790 3.363 -1.753 1.00 0.00 H new ATOM 0 HA CYS A 62 -4.894 4.571 0.857 1.00 0.00 H new ATOM 0 HB2 CYS A 62 -5.394 2.215 0.578 1.00 0.00 H new ATOM 0 HB3 CYS A 62 -3.881 1.918 -0.255 1.00 0.00 H new ATOM 0 HG CYS A 62 -3.452 0.883 2.292 1.00 0.00 H new ATOM 1007 N ALA A 63 -1.909 4.078 -0.464 1.00 0.00 N ATOM 1008 CA ALA A 63 -0.483 4.477 -0.317 1.00 0.00 C ATOM 1009 C ALA A 63 -0.390 5.998 -0.194 1.00 0.00 C ATOM 1010 O ALA A 63 0.316 6.520 0.645 1.00 0.00 O ATOM 1011 CB ALA A 63 0.296 4.013 -1.549 1.00 0.00 C ATOM 0 H ALA A 63 -2.116 3.506 -1.283 1.00 0.00 H new ATOM 0 HA ALA A 63 -0.062 4.017 0.577 1.00 0.00 H new ATOM 0 HB1 ALA A 63 1.342 4.302 -1.448 1.00 0.00 H new ATOM 0 HB2 ALA A 63 0.226 2.929 -1.637 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -0.124 4.477 -2.441 1.00 0.00 H new ATOM 1017 N LYS A 64 -1.098 6.712 -1.022 1.00 0.00 N ATOM 1018 CA LYS A 64 -1.050 8.199 -0.949 1.00 0.00 C ATOM 1019 C LYS A 64 -1.602 8.659 0.403 1.00 0.00 C ATOM 1020 O LYS A 64 -1.053 9.529 1.048 1.00 0.00 O ATOM 1021 CB LYS A 64 -1.907 8.787 -2.071 1.00 0.00 C ATOM 1022 CG LYS A 64 -1.265 8.476 -3.423 1.00 0.00 C ATOM 1023 CD LYS A 64 -2.149 9.028 -4.541 1.00 0.00 C ATOM 1024 CE LYS A 64 -1.509 8.731 -5.898 1.00 0.00 C ATOM 1025 NZ LYS A 64 -2.388 9.251 -6.983 1.00 0.00 N ATOM 0 H LYS A 64 -1.708 6.331 -1.746 1.00 0.00 H new ATOM 0 HA LYS A 64 -0.020 8.538 -1.058 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -2.913 8.370 -2.030 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -2.003 9.865 -1.942 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -0.271 8.920 -3.477 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -1.140 7.400 -3.540 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -3.141 8.578 -4.489 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -2.280 10.103 -4.417 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -0.525 9.196 -5.958 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -1.362 7.657 -6.016 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -1.955 9.050 -7.907 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -3.318 8.788 -6.928 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -2.506 10.278 -6.872 1.00 0.00 H new ATOM 1039 N ILE A 65 -2.692 8.081 0.829 1.00 0.00 N ATOM 1040 CA ILE A 65 -3.295 8.479 2.133 1.00 0.00 C ATOM 1041 C ILE A 65 -2.341 8.137 3.280 1.00 0.00 C ATOM 1042 O ILE A 65 -2.135 8.923 4.183 1.00 0.00 O ATOM 1043 CB ILE A 65 -4.618 7.730 2.318 1.00 0.00 C ATOM 1044 CG1 ILE A 65 -5.633 8.241 1.294 1.00 0.00 C ATOM 1045 CG2 ILE A 65 -5.158 7.966 3.731 1.00 0.00 C ATOM 1046 CD1 ILE A 65 -6.841 7.305 1.262 1.00 0.00 C ATOM 0 H ILE A 65 -3.193 7.347 0.328 1.00 0.00 H new ATOM 0 HA ILE A 65 -3.475 9.554 2.138 1.00 0.00 H new ATOM 0 HB ILE A 65 -4.452 6.663 2.173 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -5.949 9.251 1.553 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -5.174 8.294 0.307 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -6.099 7.430 3.855 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -4.435 7.604 4.462 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -5.325 9.032 3.883 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -7.564 7.669 0.532 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -6.517 6.302 0.983 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -7.304 7.275 2.248 1.00 0.00 H new ATOM 1058 N ILE A 66 -1.760 6.969 3.256 1.00 0.00 N ATOM 1059 CA ILE A 66 -0.826 6.582 4.351 1.00 0.00 C ATOM 1060 C ILE A 66 0.390 7.514 4.336 1.00 0.00 C ATOM 1061 O ILE A 66 0.832 7.989 5.364 1.00 0.00 O ATOM 1062 CB ILE A 66 -0.374 5.130 4.139 1.00 0.00 C ATOM 1063 CG1 ILE A 66 -1.573 4.174 4.323 1.00 0.00 C ATOM 1064 CG2 ILE A 66 0.740 4.773 5.131 1.00 0.00 C ATOM 1065 CD1 ILE A 66 -2.180 4.292 5.733 1.00 0.00 C ATOM 0 H ILE A 66 -1.891 6.267 2.527 1.00 0.00 H new ATOM 0 HA ILE A 66 -1.329 6.667 5.314 1.00 0.00 H new ATOM 0 HB ILE A 66 0.012 5.025 3.125 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -2.336 4.399 3.578 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -1.251 3.147 4.150 1.00 0.00 H new ATOM 0 HG21 ILE A 66 1.052 3.741 4.971 1.00 0.00 H new ATOM 0 HG22 ILE A 66 1.590 5.438 4.978 1.00 0.00 H new ATOM 0 HG23 ILE A 66 0.370 4.886 6.150 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -3.021 3.605 5.826 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -1.423 4.042 6.477 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -2.526 5.313 5.896 1.00 0.00 H new ATOM 1077 N ILE A 67 0.934 7.782 3.179 1.00 0.00 N ATOM 1078 CA ILE A 67 2.119 8.686 3.109 1.00 0.00 C ATOM 1079 C ILE A 67 1.719 10.090 3.571 1.00 0.00 C ATOM 1080 O ILE A 67 2.408 10.719 4.349 1.00 0.00 O ATOM 1081 CB ILE A 67 2.625 8.741 1.664 1.00 0.00 C ATOM 1082 CG1 ILE A 67 3.203 7.378 1.279 1.00 0.00 C ATOM 1083 CG2 ILE A 67 3.715 9.810 1.537 1.00 0.00 C ATOM 1084 CD1 ILE A 67 3.413 7.323 -0.234 1.00 0.00 C ATOM 0 H ILE A 67 0.611 7.416 2.283 1.00 0.00 H new ATOM 0 HA ILE A 67 2.910 8.308 3.757 1.00 0.00 H new ATOM 0 HB ILE A 67 1.797 8.991 1.000 1.00 0.00 H new ATOM 0 HG12 ILE A 67 4.149 7.213 1.795 1.00 0.00 H new ATOM 0 HG13 ILE A 67 2.527 6.583 1.592 1.00 0.00 H new ATOM 0 HG21 ILE A 67 4.072 9.845 0.508 1.00 0.00 H new ATOM 0 HG22 ILE A 67 3.305 10.782 1.813 1.00 0.00 H new ATOM 0 HG23 ILE A 67 4.544 9.564 2.200 1.00 0.00 H new ATOM 0 HD11 ILE A 67 3.825 6.352 -0.509 1.00 0.00 H new ATOM 0 HD12 ILE A 67 2.458 7.469 -0.739 1.00 0.00 H new ATOM 0 HD13 ILE A 67 4.106 8.109 -0.534 1.00 0.00 H new ATOM 1096 N ASP A 68 0.606 10.582 3.099 1.00 0.00 N ATOM 1097 CA ASP A 68 0.154 11.943 3.512 1.00 0.00 C ATOM 1098 C ASP A 68 -0.194 11.939 5.001 1.00 0.00 C ATOM 1099 O ASP A 68 0.193 12.817 5.747 1.00 0.00 O ATOM 1100 CB ASP A 68 -1.084 12.333 2.700 1.00 0.00 C ATOM 1101 CG ASP A 68 -0.674 12.622 1.255 1.00 0.00 C ATOM 1102 OD1 ASP A 68 0.511 12.787 1.019 1.00 0.00 O ATOM 1103 OD2 ASP A 68 -1.551 12.672 0.408 1.00 0.00 O ATOM 0 H ASP A 68 -0.011 10.101 2.445 1.00 0.00 H new ATOM 0 HA ASP A 68 0.953 12.662 3.330 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -1.819 11.528 2.727 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -1.558 13.212 3.138 1.00 0.00 H new ATOM 1108 N SER A 69 -0.929 10.953 5.432 1.00 0.00 N ATOM 1109 CA SER A 69 -1.321 10.871 6.869 1.00 0.00 C ATOM 1110 C SER A 69 -0.074 10.712 7.739 1.00 0.00 C ATOM 1111 O SER A 69 0.013 11.252 8.825 1.00 0.00 O ATOM 1112 CB SER A 69 -2.250 9.672 7.070 1.00 0.00 C ATOM 1113 OG SER A 69 -3.335 9.764 6.156 1.00 0.00 O ATOM 0 H SER A 69 -1.278 10.194 4.847 1.00 0.00 H new ATOM 0 HA SER A 69 -1.839 11.786 7.158 1.00 0.00 H new ATOM 0 HB2 SER A 69 -1.703 8.742 6.912 1.00 0.00 H new ATOM 0 HB3 SER A 69 -2.622 9.653 8.094 1.00 0.00 H new ATOM 0 HG SER A 69 -3.141 9.223 5.362 1.00 0.00 H new ATOM 1119 N HIS A 70 0.883 9.962 7.275 1.00 0.00 N ATOM 1120 CA HIS A 70 2.123 9.747 8.073 1.00 0.00 C ATOM 1121 C HIS A 70 2.805 11.092 8.336 1.00 0.00 C ATOM 1122 O HIS A 70 3.190 11.398 9.447 1.00 0.00 O ATOM 1123 CB HIS A 70 3.069 8.840 7.284 1.00 0.00 C ATOM 1124 CG HIS A 70 4.315 8.584 8.083 1.00 0.00 C ATOM 1125 ND1 HIS A 70 4.353 7.661 9.115 1.00 0.00 N ATOM 1126 CD2 HIS A 70 5.578 9.116 8.007 1.00 0.00 C ATOM 1127 CE1 HIS A 70 5.603 7.663 9.614 1.00 0.00 C ATOM 1128 NE2 HIS A 70 6.390 8.532 8.975 1.00 0.00 N ATOM 0 H HIS A 70 0.861 9.486 6.373 1.00 0.00 H new ATOM 0 HA HIS A 70 1.872 9.281 9.026 1.00 0.00 H new ATOM 0 HB2 HIS A 70 2.574 7.897 7.053 1.00 0.00 H new ATOM 0 HB3 HIS A 70 3.326 9.307 6.333 1.00 0.00 H new ATOM 0 HD2 HIS A 70 5.894 9.872 7.304 1.00 0.00 H new ATOM 0 HE1 HIS A 70 5.930 7.038 10.432 1.00 0.00 H new ATOM 0 HE2 HIS A 70 7.375 8.726 9.157 1.00 0.00 H new ATOM 1136 N LEU A 71 2.961 11.892 7.321 1.00 0.00 N ATOM 1137 CA LEU A 71 3.621 13.216 7.506 1.00 0.00 C ATOM 1138 C LEU A 71 2.774 14.095 8.429 1.00 0.00 C ATOM 1139 O LEU A 71 3.283 14.775 9.298 1.00 0.00 O ATOM 1140 CB LEU A 71 3.763 13.900 6.145 1.00 0.00 C ATOM 1141 CG LEU A 71 4.774 13.134 5.281 1.00 0.00 C ATOM 1142 CD1 LEU A 71 4.718 13.676 3.850 1.00 0.00 C ATOM 1143 CD2 LEU A 71 6.201 13.299 5.844 1.00 0.00 C ATOM 0 H LEU A 71 2.660 11.687 6.368 1.00 0.00 H new ATOM 0 HA LEU A 71 4.604 13.071 7.953 1.00 0.00 H new ATOM 0 HB2 LEU A 71 2.796 13.936 5.643 1.00 0.00 H new ATOM 0 HB3 LEU A 71 4.092 14.931 6.278 1.00 0.00 H new ATOM 0 HG LEU A 71 4.521 12.074 5.288 1.00 0.00 H new ATOM 0 HD11 LEU A 71 5.433 13.137 3.229 1.00 0.00 H new ATOM 0 HD12 LEU A 71 3.714 13.540 3.448 1.00 0.00 H new ATOM 0 HD13 LEU A 71 4.967 14.737 3.853 1.00 0.00 H new ATOM 0 HD21 LEU A 71 6.905 12.749 5.219 1.00 0.00 H new ATOM 0 HD22 LEU A 71 6.470 14.355 5.850 1.00 0.00 H new ATOM 0 HD23 LEU A 71 6.238 12.909 6.861 1.00 0.00 H new ATOM 1155 N ASP A 72 1.482 14.093 8.238 1.00 0.00 N ATOM 1156 CA ASP A 72 0.593 14.935 9.093 1.00 0.00 C ATOM 1157 C ASP A 72 0.274 14.211 10.403 1.00 0.00 C ATOM 1158 O ASP A 72 0.680 14.628 11.471 1.00 0.00 O ATOM 1159 CB ASP A 72 -0.711 15.214 8.342 1.00 0.00 C ATOM 1160 CG ASP A 72 -0.438 16.182 7.190 1.00 0.00 C ATOM 1161 OD1 ASP A 72 0.614 16.799 7.198 1.00 0.00 O ATOM 1162 OD2 ASP A 72 -1.285 16.290 6.318 1.00 0.00 O ATOM 0 H ASP A 72 1.002 13.544 7.525 1.00 0.00 H new ATOM 0 HA ASP A 72 1.103 15.871 9.320 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -1.128 14.283 7.958 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -1.450 15.639 9.021 1.00 0.00 H new ATOM 1237 N GLY A 77 4.172 4.677 10.733 1.00 0.00 N ATOM 1238 CA GLY A 77 4.167 3.684 9.622 1.00 0.00 C ATOM 1239 C GLY A 77 5.441 3.854 8.795 1.00 0.00 C ATOM 1240 O GLY A 77 6.284 2.981 8.745 1.00 0.00 O ATOM 0 HA2 GLY A 77 4.111 2.672 10.022 1.00 0.00 H new ATOM 0 HA3 GLY A 77 3.288 3.827 8.993 1.00 0.00 H new ATOM 1244 N LEU A 78 5.589 4.977 8.146 1.00 0.00 N ATOM 1245 CA LEU A 78 6.808 5.211 7.316 1.00 0.00 C ATOM 1246 C LEU A 78 7.878 5.889 8.170 1.00 0.00 C ATOM 1247 O LEU A 78 8.695 6.645 7.685 1.00 0.00 O ATOM 1248 CB LEU A 78 6.444 6.104 6.130 1.00 0.00 C ATOM 1249 CG LEU A 78 5.185 5.557 5.450 1.00 0.00 C ATOM 1250 CD1 LEU A 78 4.874 6.391 4.207 1.00 0.00 C ATOM 1251 CD2 LEU A 78 5.405 4.092 5.047 1.00 0.00 C ATOM 0 H LEU A 78 4.918 5.745 8.154 1.00 0.00 H new ATOM 0 HA LEU A 78 7.194 4.261 6.946 1.00 0.00 H new ATOM 0 HB2 LEU A 78 6.273 7.126 6.469 1.00 0.00 H new ATOM 0 HB3 LEU A 78 7.269 6.138 5.419 1.00 0.00 H new ATOM 0 HG LEU A 78 4.347 5.614 6.145 1.00 0.00 H new ATOM 0 HD11 LEU A 78 3.978 6.002 3.723 1.00 0.00 H new ATOM 0 HD12 LEU A 78 4.708 7.429 4.497 1.00 0.00 H new ATOM 0 HD13 LEU A 78 5.713 6.338 3.514 1.00 0.00 H new ATOM 0 HD21 LEU A 78 4.506 3.709 4.564 1.00 0.00 H new ATOM 0 HD22 LEU A 78 6.245 4.027 4.355 1.00 0.00 H new ATOM 0 HD23 LEU A 78 5.621 3.499 5.936 1.00 0.00 H new ATOM 1263 N ALA A 79 7.877 5.608 9.444 1.00 0.00 N ATOM 1264 CA ALA A 79 8.891 6.214 10.352 1.00 0.00 C ATOM 1265 C ALA A 79 10.285 5.725 9.952 1.00 0.00 C ATOM 1266 O ALA A 79 11.258 6.448 10.033 1.00 0.00 O ATOM 1267 CB ALA A 79 8.595 5.795 11.795 1.00 0.00 C ATOM 0 H ALA A 79 7.213 4.981 9.898 1.00 0.00 H new ATOM 0 HA ALA A 79 8.851 7.300 10.274 1.00 0.00 H new ATOM 0 HB1 ALA A 79 9.336 6.237 12.461 1.00 0.00 H new ATOM 0 HB2 ALA A 79 7.601 6.140 12.077 1.00 0.00 H new ATOM 0 HB3 ALA A 79 8.638 4.709 11.875 1.00 0.00 H new ATOM 1273 N ASP A 80 10.383 4.497 9.526 1.00 0.00 N ATOM 1274 CA ASP A 80 11.706 3.941 9.121 1.00 0.00 C ATOM 1275 C ASP A 80 12.227 4.695 7.896 1.00 0.00 C ATOM 1276 O ASP A 80 13.419 4.850 7.709 1.00 0.00 O ATOM 1277 CB ASP A 80 11.538 2.464 8.767 1.00 0.00 C ATOM 1278 CG ASP A 80 10.497 2.327 7.658 1.00 0.00 C ATOM 1279 OD1 ASP A 80 9.598 3.151 7.612 1.00 0.00 O ATOM 1280 OD2 ASP A 80 10.616 1.401 6.873 1.00 0.00 O ATOM 0 H ASP A 80 9.599 3.850 9.440 1.00 0.00 H new ATOM 0 HA ASP A 80 12.415 4.050 9.942 1.00 0.00 H new ATOM 0 HB2 ASP A 80 12.490 2.045 8.442 1.00 0.00 H new ATOM 0 HB3 ASP A 80 11.226 1.900 9.646 1.00 0.00 H new ATOM 1285 N LEU A 81 11.344 5.151 7.053 1.00 0.00 N ATOM 1286 CA LEU A 81 11.783 5.880 5.828 1.00 0.00 C ATOM 1287 C LEU A 81 12.045 7.347 6.174 1.00 0.00 C ATOM 1288 O LEU A 81 12.473 8.123 5.344 1.00 0.00 O ATOM 1289 CB LEU A 81 10.680 5.796 4.770 1.00 0.00 C ATOM 1290 CG LEU A 81 10.339 4.328 4.493 1.00 0.00 C ATOM 1291 CD1 LEU A 81 9.205 4.257 3.467 1.00 0.00 C ATOM 1292 CD2 LEU A 81 11.575 3.592 3.950 1.00 0.00 C ATOM 0 H LEU A 81 10.334 5.051 7.159 1.00 0.00 H new ATOM 0 HA LEU A 81 12.698 5.430 5.442 1.00 0.00 H new ATOM 0 HB2 LEU A 81 9.792 6.327 5.114 1.00 0.00 H new ATOM 0 HB3 LEU A 81 11.007 6.283 3.851 1.00 0.00 H new ATOM 0 HG LEU A 81 10.024 3.851 5.421 1.00 0.00 H new ATOM 0 HD11 LEU A 81 8.960 3.214 3.267 1.00 0.00 H new ATOM 0 HD12 LEU A 81 8.326 4.768 3.860 1.00 0.00 H new ATOM 0 HD13 LEU A 81 9.521 4.739 2.542 1.00 0.00 H new ATOM 0 HD21 LEU A 81 11.322 2.550 3.756 1.00 0.00 H new ATOM 0 HD22 LEU A 81 11.902 4.064 3.023 1.00 0.00 H new ATOM 0 HD23 LEU A 81 12.379 3.640 4.685 1.00 0.00 H new ATOM 1304 N GLY A 82 11.794 7.731 7.395 1.00 0.00 N ATOM 1305 CA GLY A 82 12.033 9.147 7.797 1.00 0.00 C ATOM 1306 C GLY A 82 11.259 9.456 9.080 1.00 0.00 C ATOM 1307 O GLY A 82 11.897 9.634 10.104 1.00 0.00 O ATOM 1308 OXT GLY A 82 10.042 9.509 9.016 1.00 0.00 O ATOM 0 H GLY A 82 11.434 7.126 8.133 1.00 0.00 H new ATOM 0 HA2 GLY A 82 13.098 9.316 7.954 1.00 0.00 H new ATOM 0 HA3 GLY A 82 11.718 9.820 7.000 1.00 0.00 H new