USER MOD reduce.3.24.130724 H: found=0, std=0, add=585, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 580 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 18 HIS : no HD1:sc=-0.000795 X(o=1.3,f=1.2) USER MOD Set 1.2: A 22 THR OG1 : rot -30:sc= 1.25 USER MOD Set 1.3: A 24 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 5 THR OG1 : rot -85:sc= 1.26 USER MOD Set 2.2: A 8 GLN : amide:sc= 1.02 K(o=2.3,f=1.6) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 GLN : amide:sc= 0 X(o=0,f=-0.47) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 21 GLN : amide:sc= 0.279 X(o=0.28,f=0) USER MOD Single : A 27 THR OG1 : rot -68:sc= 0.125 USER MOD Single : A 33 GLN : amide:sc= 0 K(o=0,f=-0.63) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 41 ASN : amide:sc= 0 X(o=0,f=-0.15) USER MOD Single : A 46 HIS : no HD1:sc= 0 X(o=0,f=-0.09) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ 144:sc= 0.51 (180deg=0.0688) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 70 GLN : amide:sc= 0.0207 X(o=0.021,f=-0.43) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -3.641 -1.496 -16.230 1.00 0.00 N ATOM 2 CA MET A 1 -4.727 -2.368 -15.701 1.00 0.00 C ATOM 3 C MET A 1 -5.901 -1.581 -15.020 1.00 0.00 C ATOM 4 O MET A 1 -7.063 -1.867 -15.313 1.00 0.00 O ATOM 5 CB MET A 1 -4.171 -3.477 -14.778 1.00 0.00 C ATOM 6 CG MET A 1 -3.238 -4.495 -15.456 1.00 0.00 C ATOM 7 SD MET A 1 -2.871 -5.804 -14.271 1.00 0.00 S ATOM 8 CE MET A 1 -1.334 -6.436 -14.957 1.00 0.00 C ATOM 0 H1 MET A 1 -2.903 -2.086 -16.664 1.00 0.00 H new ATOM 0 H2 MET A 1 -4.032 -0.849 -16.944 1.00 0.00 H new ATOM 0 H3 MET A 1 -3.229 -0.943 -15.451 1.00 0.00 H new ATOM 0 HA MET A 1 -5.167 -2.847 -16.576 1.00 0.00 H new ATOM 0 HB2 MET A 1 -3.631 -3.006 -13.957 1.00 0.00 H new ATOM 0 HB3 MET A 1 -5.011 -4.016 -14.339 1.00 0.00 H new ATOM 0 HG2 MET A 1 -3.712 -4.910 -16.346 1.00 0.00 H new ATOM 0 HG3 MET A 1 -2.318 -4.009 -15.782 1.00 0.00 H new ATOM 0 HE1 MET A 1 -0.970 -7.256 -14.339 1.00 0.00 H new ATOM 0 HE2 MET A 1 -1.509 -6.796 -15.971 1.00 0.00 H new ATOM 0 HE3 MET A 1 -0.590 -5.639 -14.978 1.00 0.00 H new ATOM 19 N LYS A 2 -5.598 -0.610 -14.137 1.00 0.00 N ATOM 20 CA LYS A 2 -6.569 0.419 -13.645 1.00 0.00 C ATOM 21 C LYS A 2 -7.642 0.010 -12.586 1.00 0.00 C ATOM 22 O LYS A 2 -7.810 0.707 -11.580 1.00 0.00 O ATOM 23 CB LYS A 2 -7.129 1.272 -14.820 1.00 0.00 C ATOM 24 CG LYS A 2 -7.725 2.627 -14.401 1.00 0.00 C ATOM 25 CD LYS A 2 -8.242 3.465 -15.580 1.00 0.00 C ATOM 26 CE LYS A 2 -9.513 2.962 -16.276 1.00 0.00 C ATOM 27 NZ LYS A 2 -10.705 3.075 -15.411 1.00 0.00 N ATOM 0 H LYS A 2 -4.667 -0.506 -13.734 1.00 0.00 H new ATOM 0 HA LYS A 2 -5.945 1.047 -13.009 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -6.328 1.449 -15.537 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -7.897 0.696 -15.336 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -8.544 2.453 -13.703 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -6.966 3.198 -13.866 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -8.428 4.478 -15.222 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -7.449 3.530 -16.325 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -9.674 3.533 -17.190 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -9.377 1.921 -16.570 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -11.540 2.724 -15.922 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -10.564 2.510 -14.550 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -10.852 4.071 -15.151 1.00 0.00 H new ATOM 40 N ALA A 3 -8.398 -1.055 -12.841 1.00 0.00 N ATOM 41 CA ALA A 3 -9.600 -1.411 -12.050 1.00 0.00 C ATOM 42 C ALA A 3 -9.310 -2.186 -10.724 1.00 0.00 C ATOM 43 O ALA A 3 -9.378 -3.417 -10.665 1.00 0.00 O ATOM 44 CB ALA A 3 -10.510 -2.187 -13.020 1.00 0.00 C ATOM 0 H ALA A 3 -8.204 -1.705 -13.602 1.00 0.00 H new ATOM 0 HA ALA A 3 -10.082 -0.508 -11.675 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -11.423 -2.484 -12.503 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -10.764 -1.551 -13.868 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -9.989 -3.076 -13.376 1.00 0.00 H new ATOM 50 N LEU A 4 -9.008 -1.440 -9.654 1.00 0.00 N ATOM 51 CA LEU A 4 -8.710 -2.022 -8.320 1.00 0.00 C ATOM 52 C LEU A 4 -9.992 -2.382 -7.485 1.00 0.00 C ATOM 53 O LEU A 4 -11.050 -1.757 -7.601 1.00 0.00 O ATOM 54 CB LEU A 4 -7.869 -1.000 -7.494 1.00 0.00 C ATOM 55 CG LEU A 4 -6.425 -0.740 -7.965 1.00 0.00 C ATOM 56 CD1 LEU A 4 -5.846 0.447 -7.173 1.00 0.00 C ATOM 57 CD2 LEU A 4 -5.523 -1.958 -7.752 1.00 0.00 C ATOM 0 H LEU A 4 -8.961 -0.421 -9.678 1.00 0.00 H new ATOM 0 HA LEU A 4 -8.169 -2.950 -8.505 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -8.401 -0.048 -7.490 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -7.831 -1.348 -6.462 1.00 0.00 H new ATOM 0 HG LEU A 4 -6.456 -0.524 -9.033 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -4.824 0.638 -7.500 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -6.455 1.334 -7.349 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -5.849 0.210 -6.109 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -4.515 -1.729 -8.098 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -5.494 -2.209 -6.692 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -5.916 -2.805 -8.314 1.00 0.00 H new ATOM 69 N THR A 5 -9.839 -3.352 -6.575 1.00 0.00 N ATOM 70 CA THR A 5 -10.867 -3.637 -5.534 1.00 0.00 C ATOM 71 C THR A 5 -10.882 -2.553 -4.393 1.00 0.00 C ATOM 72 O THR A 5 -9.865 -1.916 -4.101 1.00 0.00 O ATOM 73 CB THR A 5 -10.695 -5.059 -4.900 1.00 0.00 C ATOM 74 OG1 THR A 5 -9.465 -5.192 -4.195 1.00 0.00 O ATOM 75 CG2 THR A 5 -10.775 -6.219 -5.886 1.00 0.00 C ATOM 0 H THR A 5 -9.020 -3.958 -6.528 1.00 0.00 H new ATOM 0 HA THR A 5 -11.823 -3.603 -6.056 1.00 0.00 H new ATOM 0 HB THR A 5 -11.547 -5.124 -4.224 1.00 0.00 H new ATOM 0 HG1 THR A 5 -8.753 -5.434 -4.823 1.00 0.00 H new ATOM 0 HG21 THR A 5 -10.644 -7.160 -5.352 1.00 0.00 H new ATOM 0 HG22 THR A 5 -11.748 -6.213 -6.377 1.00 0.00 H new ATOM 0 HG23 THR A 5 -9.990 -6.115 -6.635 1.00 0.00 H new ATOM 83 N ALA A 6 -12.034 -2.375 -3.727 1.00 0.00 N ATOM 84 CA ALA A 6 -12.188 -1.366 -2.641 1.00 0.00 C ATOM 85 C ALA A 6 -11.169 -1.408 -1.451 1.00 0.00 C ATOM 86 O ALA A 6 -10.649 -0.356 -1.077 1.00 0.00 O ATOM 87 CB ALA A 6 -13.643 -1.462 -2.158 1.00 0.00 C ATOM 0 H ALA A 6 -12.880 -2.913 -3.915 1.00 0.00 H new ATOM 0 HA ALA A 6 -11.943 -0.398 -3.077 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -13.809 -0.740 -1.358 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -14.317 -1.247 -2.987 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -13.837 -2.468 -1.785 1.00 0.00 H new ATOM 93 N ARG A 7 -10.852 -2.593 -0.902 1.00 0.00 N ATOM 94 CA ARG A 7 -9.777 -2.732 0.125 1.00 0.00 C ATOM 95 C ARG A 7 -8.303 -2.579 -0.393 1.00 0.00 C ATOM 96 O ARG A 7 -7.489 -2.005 0.334 1.00 0.00 O ATOM 97 CB ARG A 7 -10.021 -4.040 0.910 1.00 0.00 C ATOM 98 CG ARG A 7 -9.374 -4.105 2.311 1.00 0.00 C ATOM 99 CD ARG A 7 -10.016 -3.154 3.330 1.00 0.00 C ATOM 100 NE ARG A 7 -9.411 -3.395 4.658 1.00 0.00 N ATOM 101 CZ ARG A 7 -9.651 -2.686 5.749 1.00 0.00 C ATOM 102 NH1 ARG A 7 -10.476 -1.683 5.816 1.00 0.00 N ATOM 103 NH2 ARG A 7 -9.019 -3.010 6.820 1.00 0.00 N ATOM 0 H ARG A 7 -11.315 -3.469 -1.143 1.00 0.00 H new ATOM 0 HA ARG A 7 -9.857 -1.873 0.792 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -11.096 -4.183 1.018 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -9.647 -4.874 0.317 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -9.442 -5.126 2.686 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -8.314 -3.868 2.224 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -9.862 -2.118 3.028 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -11.093 -3.317 3.371 1.00 0.00 H new ATOM 0 HE ARG A 7 -8.755 -4.172 4.739 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -10.994 -1.392 4.987 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -10.605 -1.187 6.698 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -8.361 -3.789 6.808 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -9.176 -2.488 7.682 1.00 0.00 H new ATOM 116 N GLN A 8 -7.966 -2.993 -1.633 1.00 0.00 N ATOM 117 CA GLN A 8 -6.722 -2.516 -2.316 1.00 0.00 C ATOM 118 C GLN A 8 -6.612 -0.943 -2.455 1.00 0.00 C ATOM 119 O GLN A 8 -5.561 -0.394 -2.131 1.00 0.00 O ATOM 120 CB GLN A 8 -6.595 -3.122 -3.738 1.00 0.00 C ATOM 121 CG GLN A 8 -6.234 -4.616 -3.814 1.00 0.00 C ATOM 122 CD GLN A 8 -6.270 -5.125 -5.251 1.00 0.00 C ATOM 123 OE1 GLN A 8 -7.332 -5.386 -5.807 1.00 0.00 O ATOM 124 NE2 GLN A 8 -5.150 -5.245 -5.912 1.00 0.00 N ATOM 0 H GLN A 8 -8.522 -3.647 -2.184 1.00 0.00 H new ATOM 0 HA GLN A 8 -5.916 -2.854 -1.665 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -7.540 -2.972 -4.259 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -5.837 -2.559 -4.283 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -5.240 -4.773 -3.396 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -6.931 -5.192 -3.205 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -4.263 -5.030 -5.456 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -5.162 -5.554 -6.884 1.00 0.00 H new ATOM 133 N GLN A 9 -7.674 -0.247 -2.892 1.00 0.00 N ATOM 134 CA GLN A 9 -7.726 1.241 -2.885 1.00 0.00 C ATOM 135 C GLN A 9 -7.616 1.922 -1.479 1.00 0.00 C ATOM 136 O GLN A 9 -6.897 2.915 -1.367 1.00 0.00 O ATOM 137 CB GLN A 9 -8.966 1.661 -3.703 1.00 0.00 C ATOM 138 CG GLN A 9 -9.093 3.166 -4.034 1.00 0.00 C ATOM 139 CD GLN A 9 -7.991 3.780 -4.888 1.00 0.00 C ATOM 140 OE1 GLN A 9 -7.349 3.143 -5.713 1.00 0.00 O ATOM 141 NE2 GLN A 9 -7.727 5.051 -4.741 1.00 0.00 N ATOM 0 H GLN A 9 -8.518 -0.686 -3.259 1.00 0.00 H new ATOM 0 HA GLN A 9 -6.820 1.621 -3.357 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -8.962 1.104 -4.640 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -9.857 1.355 -3.154 1.00 0.00 H new ATOM 0 HG2 GLN A 9 -10.044 3.322 -4.544 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -9.141 3.717 -3.095 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -8.247 5.605 -4.060 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -7.001 5.490 -5.307 1.00 0.00 H new ATOM 150 N GLU A 10 -8.241 1.403 -0.407 1.00 0.00 N ATOM 151 CA GLU A 10 -7.907 1.804 0.994 1.00 0.00 C ATOM 152 C GLU A 10 -6.385 1.651 1.399 1.00 0.00 C ATOM 153 O GLU A 10 -5.784 2.618 1.873 1.00 0.00 O ATOM 154 CB GLU A 10 -8.795 1.030 2.004 1.00 0.00 C ATOM 155 CG GLU A 10 -10.290 1.400 1.971 1.00 0.00 C ATOM 156 CD GLU A 10 -11.066 0.819 3.141 1.00 0.00 C ATOM 157 OE1 GLU A 10 -11.693 -0.233 3.097 1.00 0.00 O ATOM 158 OE2 GLU A 10 -10.979 1.598 4.253 1.00 0.00 O ATOM 0 H GLU A 10 -8.981 0.704 -0.472 1.00 0.00 H new ATOM 0 HA GLU A 10 -8.113 2.874 1.031 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -8.696 -0.038 1.809 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -8.414 1.207 3.010 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -10.391 2.485 1.977 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -10.727 1.044 1.038 1.00 0.00 H new ATOM 166 N VAL A 11 -5.784 0.479 1.158 1.00 0.00 N ATOM 167 CA VAL A 11 -4.307 0.245 1.302 1.00 0.00 C ATOM 168 C VAL A 11 -3.412 1.227 0.460 1.00 0.00 C ATOM 169 O VAL A 11 -2.502 1.850 1.011 1.00 0.00 O ATOM 170 CB VAL A 11 -4.037 -1.276 1.029 1.00 0.00 C ATOM 171 CG1 VAL A 11 -2.549 -1.661 0.955 1.00 0.00 C ATOM 172 CG2 VAL A 11 -4.666 -2.183 2.116 1.00 0.00 C ATOM 0 H VAL A 11 -6.295 -0.350 0.855 1.00 0.00 H new ATOM 0 HA VAL A 11 -4.001 0.485 2.320 1.00 0.00 H new ATOM 0 HB VAL A 11 -4.496 -1.434 0.053 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -2.459 -2.730 0.763 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -2.069 -1.106 0.149 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -2.063 -1.420 1.900 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -4.454 -3.227 1.886 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -4.243 -1.932 3.089 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -5.745 -2.029 2.139 1.00 0.00 H new ATOM 182 N PHE A 12 -3.701 1.386 -0.834 1.00 0.00 N ATOM 183 CA PHE A 12 -3.056 2.399 -1.713 1.00 0.00 C ATOM 184 C PHE A 12 -3.214 3.901 -1.299 1.00 0.00 C ATOM 185 O PHE A 12 -2.226 4.636 -1.335 1.00 0.00 O ATOM 186 CB PHE A 12 -3.608 2.090 -3.125 1.00 0.00 C ATOM 187 CG PHE A 12 -2.959 2.836 -4.288 1.00 0.00 C ATOM 188 CD1 PHE A 12 -1.575 2.756 -4.518 1.00 0.00 C ATOM 189 CD2 PHE A 12 -3.751 3.585 -5.171 1.00 0.00 C ATOM 190 CE1 PHE A 12 -0.998 3.428 -5.591 1.00 0.00 C ATOM 191 CE2 PHE A 12 -3.173 4.241 -6.254 1.00 0.00 C ATOM 192 CZ PHE A 12 -1.799 4.164 -6.458 1.00 0.00 C ATOM 0 H PHE A 12 -4.395 0.816 -1.318 1.00 0.00 H new ATOM 0 HA PHE A 12 -1.972 2.303 -1.643 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -3.504 1.020 -3.305 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -4.675 2.312 -3.130 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -0.955 2.169 -3.857 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -4.817 3.653 -5.009 1.00 0.00 H new ATOM 0 HE1 PHE A 12 0.069 3.378 -5.750 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -3.790 4.809 -6.935 1.00 0.00 H new ATOM 0 HZ PHE A 12 -1.351 4.679 -7.295 1.00 0.00 H new ATOM 202 N ASP A 13 -4.408 4.339 -0.868 1.00 0.00 N ATOM 203 CA ASP A 13 -4.588 5.659 -0.201 1.00 0.00 C ATOM 204 C ASP A 13 -3.738 5.887 1.105 1.00 0.00 C ATOM 205 O ASP A 13 -3.231 6.994 1.278 1.00 0.00 O ATOM 206 CB ASP A 13 -6.087 5.904 0.088 1.00 0.00 C ATOM 207 CG ASP A 13 -6.885 6.383 -1.114 1.00 0.00 C ATOM 208 OD1 ASP A 13 -6.918 7.554 -1.473 1.00 0.00 O ATOM 209 OD2 ASP A 13 -7.562 5.377 -1.732 1.00 0.00 O ATOM 0 H ASP A 13 -5.271 3.804 -0.965 1.00 0.00 H new ATOM 0 HA ASP A 13 -4.201 6.388 -0.913 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -6.530 4.979 0.458 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -6.176 6.642 0.886 1.00 0.00 H new ATOM 215 N LEU A 14 -3.542 4.887 1.974 1.00 0.00 N ATOM 216 CA LEU A 14 -2.543 4.963 3.093 1.00 0.00 C ATOM 217 C LEU A 14 -1.049 5.158 2.632 1.00 0.00 C ATOM 218 O LEU A 14 -0.365 6.029 3.175 1.00 0.00 O ATOM 219 CB LEU A 14 -2.778 3.712 3.971 1.00 0.00 C ATOM 220 CG LEU A 14 -2.363 3.728 5.453 1.00 0.00 C ATOM 221 CD1 LEU A 14 -0.867 3.872 5.703 1.00 0.00 C ATOM 222 CD2 LEU A 14 -3.134 4.764 6.277 1.00 0.00 C ATOM 0 H LEU A 14 -4.055 4.006 1.939 1.00 0.00 H new ATOM 0 HA LEU A 14 -2.705 5.872 3.673 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -3.843 3.485 3.934 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -2.258 2.880 3.497 1.00 0.00 H new ATOM 0 HG LEU A 14 -2.637 2.730 5.795 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -0.676 3.873 6.776 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -0.339 3.038 5.241 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -0.514 4.809 5.271 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -2.798 4.728 7.313 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -2.953 5.759 5.871 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -4.200 4.543 6.234 1.00 0.00 H new ATOM 234 N ILE A 15 -0.577 4.430 1.600 1.00 0.00 N ATOM 235 CA ILE A 15 0.713 4.742 0.889 1.00 0.00 C ATOM 236 C ILE A 15 0.821 6.227 0.366 1.00 0.00 C ATOM 237 O ILE A 15 1.783 6.924 0.697 1.00 0.00 O ATOM 238 CB ILE A 15 0.998 3.695 -0.249 1.00 0.00 C ATOM 239 CG1 ILE A 15 0.995 2.204 0.194 1.00 0.00 C ATOM 240 CG2 ILE A 15 2.313 3.961 -1.029 1.00 0.00 C ATOM 241 CD1 ILE A 15 1.915 1.857 1.359 1.00 0.00 C ATOM 0 H ILE A 15 -1.062 3.614 1.227 1.00 0.00 H new ATOM 0 HA ILE A 15 1.497 4.654 1.641 1.00 0.00 H new ATOM 0 HB ILE A 15 0.140 3.852 -0.903 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -0.024 1.927 0.465 1.00 0.00 H new ATOM 0 HG13 ILE A 15 1.275 1.590 -0.662 1.00 0.00 H new ATOM 0 HG21 ILE A 15 2.441 3.198 -1.797 1.00 0.00 H new ATOM 0 HG22 ILE A 15 2.265 4.944 -1.498 1.00 0.00 H new ATOM 0 HG23 ILE A 15 3.157 3.928 -0.341 1.00 0.00 H new ATOM 0 HD11 ILE A 15 1.833 0.793 1.583 1.00 0.00 H new ATOM 0 HD12 ILE A 15 2.945 2.093 1.092 1.00 0.00 H new ATOM 0 HD13 ILE A 15 1.626 2.436 2.236 1.00 0.00 H new ATOM 253 N ARG A 16 -0.166 6.681 -0.412 1.00 0.00 N ATOM 254 CA ARG A 16 -0.243 8.081 -0.916 1.00 0.00 C ATOM 255 C ARG A 16 -0.382 9.200 0.180 1.00 0.00 C ATOM 256 O ARG A 16 0.247 10.248 0.047 1.00 0.00 O ATOM 257 CB ARG A 16 -1.391 8.157 -1.963 1.00 0.00 C ATOM 258 CG ARG A 16 -1.092 7.334 -3.233 1.00 0.00 C ATOM 259 CD ARG A 16 -2.226 7.266 -4.250 1.00 0.00 C ATOM 260 NE ARG A 16 -2.293 8.489 -5.075 1.00 0.00 N ATOM 261 CZ ARG A 16 -3.163 8.714 -6.046 1.00 0.00 C ATOM 262 NH1 ARG A 16 -4.110 7.887 -6.386 1.00 0.00 N ATOM 263 NH2 ARG A 16 -3.059 9.818 -6.701 1.00 0.00 N ATOM 0 H ARG A 16 -0.943 6.096 -0.719 1.00 0.00 H new ATOM 0 HA ARG A 16 0.723 8.305 -1.368 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -2.315 7.797 -1.510 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -1.557 9.198 -2.240 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -0.214 7.757 -3.721 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -0.833 6.318 -2.935 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -2.085 6.399 -4.895 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -3.174 7.125 -3.730 1.00 0.00 H new ATOM 0 HE ARG A 16 -1.611 9.222 -4.880 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -4.215 7.001 -5.892 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -4.747 8.126 -7.146 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -2.324 10.484 -6.464 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -3.712 10.026 -7.457 1.00 0.00 H new ATOM 276 N ASP A 17 -1.141 8.955 1.258 1.00 0.00 N ATOM 277 CA ASP A 17 -1.196 9.837 2.455 1.00 0.00 C ATOM 278 C ASP A 17 0.162 10.085 3.199 1.00 0.00 C ATOM 279 O ASP A 17 0.461 11.246 3.485 1.00 0.00 O ATOM 280 CB ASP A 17 -2.267 9.268 3.424 1.00 0.00 C ATOM 281 CG ASP A 17 -3.664 9.819 3.195 1.00 0.00 C ATOM 282 OD1 ASP A 17 -4.112 10.775 3.818 1.00 0.00 O ATOM 283 OD2 ASP A 17 -4.350 9.135 2.238 1.00 0.00 O ATOM 0 H ASP A 17 -1.743 8.135 1.334 1.00 0.00 H new ATOM 0 HA ASP A 17 -1.460 10.830 2.091 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -2.294 8.183 3.322 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -1.966 9.484 4.449 1.00 0.00 H new ATOM 289 N HIS A 18 0.973 9.056 3.505 1.00 0.00 N ATOM 290 CA HIS A 18 2.339 9.277 4.076 1.00 0.00 C ATOM 291 C HIS A 18 3.361 9.983 3.106 1.00 0.00 C ATOM 292 O HIS A 18 4.086 10.870 3.555 1.00 0.00 O ATOM 293 CB HIS A 18 2.912 7.946 4.618 1.00 0.00 C ATOM 294 CG HIS A 18 3.704 8.094 5.934 1.00 0.00 C ATOM 295 ND1 HIS A 18 3.080 8.176 7.174 1.00 0.00 N ATOM 296 CD2 HIS A 18 5.104 8.159 6.092 1.00 0.00 C ATOM 297 CE1 HIS A 18 4.182 8.347 7.974 1.00 0.00 C ATOM 298 NE2 HIS A 18 5.428 8.311 7.423 1.00 0.00 N ATOM 0 H HIS A 18 0.724 8.076 3.374 1.00 0.00 H new ATOM 0 HA HIS A 18 2.205 9.985 4.894 1.00 0.00 H new ATOM 0 HB2 HIS A 18 2.091 7.247 4.777 1.00 0.00 H new ATOM 0 HB3 HIS A 18 3.563 7.508 3.861 1.00 0.00 H new ATOM 0 HD2 HIS A 18 5.820 8.098 5.285 1.00 0.00 H new ATOM 0 HE1 HIS A 18 4.062 8.509 9.035 1.00 0.00 H new ATOM 0 HE2 HIS A 18 6.343 8.378 7.870 1.00 0.00 H new ATOM 306 N ILE A 19 3.387 9.624 1.812 1.00 0.00 N ATOM 307 CA ILE A 19 4.250 10.303 0.788 1.00 0.00 C ATOM 308 C ILE A 19 3.819 11.784 0.489 1.00 0.00 C ATOM 309 O ILE A 19 4.693 12.650 0.447 1.00 0.00 O ATOM 310 CB ILE A 19 4.366 9.388 -0.497 1.00 0.00 C ATOM 311 CG1 ILE A 19 5.165 8.089 -0.159 1.00 0.00 C ATOM 312 CG2 ILE A 19 5.078 10.088 -1.682 1.00 0.00 C ATOM 313 CD1 ILE A 19 5.034 6.954 -1.168 1.00 0.00 C ATOM 0 H ILE A 19 2.822 8.864 1.433 1.00 0.00 H new ATOM 0 HA ILE A 19 5.252 10.417 1.202 1.00 0.00 H new ATOM 0 HB ILE A 19 3.343 9.162 -0.798 1.00 0.00 H new ATOM 0 HG12 ILE A 19 6.220 8.347 -0.064 1.00 0.00 H new ATOM 0 HG13 ILE A 19 4.837 7.725 0.815 1.00 0.00 H new ATOM 0 HG21 ILE A 19 5.125 9.407 -2.532 1.00 0.00 H new ATOM 0 HG22 ILE A 19 4.522 10.982 -1.964 1.00 0.00 H new ATOM 0 HG23 ILE A 19 6.089 10.368 -1.385 1.00 0.00 H new ATOM 0 HD11 ILE A 19 5.628 6.102 -0.837 1.00 0.00 H new ATOM 0 HD12 ILE A 19 3.988 6.658 -1.249 1.00 0.00 H new ATOM 0 HD13 ILE A 19 5.392 7.289 -2.141 1.00 0.00 H new ATOM 325 N SER A 20 2.526 12.097 0.307 1.00 0.00 N ATOM 326 CA SER A 20 2.058 13.509 0.200 1.00 0.00 C ATOM 327 C SER A 20 2.214 14.428 1.467 1.00 0.00 C ATOM 328 O SER A 20 2.328 15.642 1.296 1.00 0.00 O ATOM 329 CB SER A 20 0.582 13.486 -0.263 1.00 0.00 C ATOM 330 OG SER A 20 0.129 14.799 -0.602 1.00 0.00 O ATOM 0 H SER A 20 1.782 11.404 0.230 1.00 0.00 H new ATOM 0 HA SER A 20 2.730 13.978 -0.518 1.00 0.00 H new ATOM 0 HB2 SER A 20 0.478 12.828 -1.126 1.00 0.00 H new ATOM 0 HB3 SER A 20 -0.044 13.075 0.529 1.00 0.00 H new ATOM 0 HG SER A 20 -0.806 14.758 -0.893 1.00 0.00 H new ATOM 336 N GLN A 21 2.185 13.879 2.688 1.00 0.00 N ATOM 337 CA GLN A 21 2.461 14.650 3.932 1.00 0.00 C ATOM 338 C GLN A 21 3.983 14.716 4.340 1.00 0.00 C ATOM 339 O GLN A 21 4.454 15.791 4.712 1.00 0.00 O ATOM 340 CB GLN A 21 1.621 14.053 5.097 1.00 0.00 C ATOM 341 CG GLN A 21 0.099 14.288 4.963 1.00 0.00 C ATOM 342 CD GLN A 21 -0.725 13.632 6.059 1.00 0.00 C ATOM 343 OE1 GLN A 21 -1.085 14.236 7.061 1.00 0.00 O ATOM 344 NE2 GLN A 21 -1.064 12.377 5.909 1.00 0.00 N ATOM 0 H GLN A 21 1.972 12.895 2.853 1.00 0.00 H new ATOM 0 HA GLN A 21 2.174 15.681 3.725 1.00 0.00 H new ATOM 0 HB2 GLN A 21 1.809 12.981 5.154 1.00 0.00 H new ATOM 0 HB3 GLN A 21 1.963 14.486 6.037 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -0.095 15.361 4.969 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -0.233 13.909 3.996 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -0.769 11.865 5.078 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -1.623 11.911 6.623 1.00 0.00 H new ATOM 353 N THR A 22 4.709 13.591 4.310 1.00 0.00 N ATOM 354 CA THR A 22 6.130 13.512 4.757 1.00 0.00 C ATOM 355 C THR A 22 7.224 13.406 3.625 1.00 0.00 C ATOM 356 O THR A 22 8.390 13.694 3.905 1.00 0.00 O ATOM 357 CB THR A 22 6.362 12.302 5.741 1.00 0.00 C ATOM 358 OG1 THR A 22 6.239 11.039 5.093 1.00 0.00 O ATOM 359 CG2 THR A 22 5.458 12.267 6.968 1.00 0.00 C ATOM 0 H THR A 22 4.338 12.701 3.977 1.00 0.00 H new ATOM 0 HA THR A 22 6.269 14.478 5.243 1.00 0.00 H new ATOM 0 HB THR A 22 7.383 12.477 6.080 1.00 0.00 H new ATOM 0 HG1 THR A 22 5.605 11.113 4.349 1.00 0.00 H new ATOM 0 HG21 THR A 22 5.702 11.395 7.575 1.00 0.00 H new ATOM 0 HG22 THR A 22 5.608 13.172 7.556 1.00 0.00 H new ATOM 0 HG23 THR A 22 4.417 12.208 6.651 1.00 0.00 H new ATOM 367 N GLY A 23 6.891 12.922 2.419 1.00 0.00 N ATOM 368 CA GLY A 23 7.897 12.474 1.421 1.00 0.00 C ATOM 369 C GLY A 23 8.149 10.950 1.335 1.00 0.00 C ATOM 370 O GLY A 23 8.217 10.398 0.236 1.00 0.00 O ATOM 0 H GLY A 23 5.926 12.827 2.101 1.00 0.00 H new ATOM 0 HA2 GLY A 23 7.582 12.824 0.438 1.00 0.00 H new ATOM 0 HA3 GLY A 23 8.844 12.965 1.646 1.00 0.00 H new ATOM 374 N MET A 24 8.336 10.294 2.482 1.00 0.00 N ATOM 375 CA MET A 24 8.682 8.851 2.563 1.00 0.00 C ATOM 376 C MET A 24 7.463 7.861 2.603 1.00 0.00 C ATOM 377 O MET A 24 6.358 8.286 2.959 1.00 0.00 O ATOM 378 CB MET A 24 9.643 8.695 3.778 1.00 0.00 C ATOM 379 CG MET A 24 9.016 8.765 5.179 1.00 0.00 C ATOM 380 SD MET A 24 10.313 8.653 6.422 1.00 0.00 S ATOM 381 CE MET A 24 9.284 8.434 7.880 1.00 0.00 C ATOM 0 H MET A 24 8.254 10.742 3.395 1.00 0.00 H new ATOM 0 HA MET A 24 9.167 8.553 1.633 1.00 0.00 H new ATOM 0 HB2 MET A 24 10.155 7.737 3.684 1.00 0.00 H new ATOM 0 HB3 MET A 24 10.405 9.472 3.709 1.00 0.00 H new ATOM 0 HG2 MET A 24 8.465 9.698 5.296 1.00 0.00 H new ATOM 0 HG3 MET A 24 8.301 7.953 5.310 1.00 0.00 H new ATOM 0 HE1 MET A 24 9.918 8.345 8.762 1.00 0.00 H new ATOM 0 HE2 MET A 24 8.624 9.295 7.992 1.00 0.00 H new ATOM 0 HE3 MET A 24 8.685 7.530 7.770 1.00 0.00 H new ATOM 391 N PRO A 25 7.593 6.539 2.293 1.00 0.00 N ATOM 392 CA PRO A 25 6.474 5.560 2.493 1.00 0.00 C ATOM 393 C PRO A 25 6.152 5.178 3.975 1.00 0.00 C ATOM 394 O PRO A 25 7.029 5.316 4.833 1.00 0.00 O ATOM 395 CB PRO A 25 6.969 4.341 1.670 1.00 0.00 C ATOM 396 CG PRO A 25 8.509 4.425 1.730 1.00 0.00 C ATOM 397 CD PRO A 25 8.790 5.936 1.669 1.00 0.00 C ATOM 0 HA PRO A 25 5.519 5.979 2.177 1.00 0.00 H new ATOM 0 HB2 PRO A 25 6.607 3.404 2.094 1.00 0.00 H new ATOM 0 HB3 PRO A 25 6.610 4.386 0.642 1.00 0.00 H new ATOM 0 HG2 PRO A 25 8.900 3.981 2.646 1.00 0.00 H new ATOM 0 HG3 PRO A 25 8.972 3.897 0.897 1.00 0.00 H new ATOM 0 HD2 PRO A 25 9.699 6.197 2.211 1.00 0.00 H new ATOM 0 HD3 PRO A 25 8.922 6.278 0.642 1.00 0.00 H new ATOM 405 N PRO A 26 4.942 4.665 4.323 1.00 0.00 N ATOM 406 CA PRO A 26 4.656 4.157 5.702 1.00 0.00 C ATOM 407 C PRO A 26 5.101 2.684 5.965 1.00 0.00 C ATOM 408 O PRO A 26 5.362 1.893 5.053 1.00 0.00 O ATOM 409 CB PRO A 26 3.111 4.325 5.748 1.00 0.00 C ATOM 410 CG PRO A 26 2.653 4.036 4.305 1.00 0.00 C ATOM 411 CD PRO A 26 3.777 4.586 3.418 1.00 0.00 C ATOM 0 HA PRO A 26 5.210 4.688 6.476 1.00 0.00 H new ATOM 0 HB2 PRO A 26 2.656 3.632 6.456 1.00 0.00 H new ATOM 0 HB3 PRO A 26 2.829 5.330 6.061 1.00 0.00 H new ATOM 0 HG2 PRO A 26 2.508 2.968 4.143 1.00 0.00 H new ATOM 0 HG3 PRO A 26 1.703 4.523 4.087 1.00 0.00 H new ATOM 0 HD2 PRO A 26 3.974 3.929 2.571 1.00 0.00 H new ATOM 0 HD3 PRO A 26 3.521 5.564 3.011 1.00 0.00 H new ATOM 419 N THR A 27 5.146 2.323 7.248 1.00 0.00 N ATOM 420 CA THR A 27 5.382 0.921 7.694 1.00 0.00 C ATOM 421 C THR A 27 4.144 -0.022 7.457 1.00 0.00 C ATOM 422 O THR A 27 2.995 0.408 7.581 1.00 0.00 O ATOM 423 CB THR A 27 5.723 0.874 9.229 1.00 0.00 C ATOM 424 OG1 THR A 27 4.691 1.457 10.021 1.00 0.00 O ATOM 425 CG2 THR A 27 7.019 1.558 9.638 1.00 0.00 C ATOM 0 H THR A 27 5.022 2.982 8.017 1.00 0.00 H new ATOM 0 HA THR A 27 6.217 0.563 7.091 1.00 0.00 H new ATOM 0 HB THR A 27 5.830 -0.195 9.411 1.00 0.00 H new ATOM 0 HG1 THR A 27 4.653 2.421 9.850 1.00 0.00 H new ATOM 0 HG21 THR A 27 7.155 1.465 10.716 1.00 0.00 H new ATOM 0 HG22 THR A 27 7.857 1.087 9.125 1.00 0.00 H new ATOM 0 HG23 THR A 27 6.975 2.613 9.367 1.00 0.00 H new ATOM 433 N ARG A 28 4.369 -1.327 7.245 1.00 0.00 N ATOM 434 CA ARG A 28 3.269 -2.345 7.278 1.00 0.00 C ATOM 435 C ARG A 28 2.421 -2.460 8.606 1.00 0.00 C ATOM 436 O ARG A 28 1.248 -2.831 8.535 1.00 0.00 O ATOM 437 CB ARG A 28 3.842 -3.717 6.840 1.00 0.00 C ATOM 438 CG ARG A 28 3.993 -3.836 5.308 1.00 0.00 C ATOM 439 CD ARG A 28 4.562 -5.192 4.876 1.00 0.00 C ATOM 440 NE ARG A 28 4.421 -5.361 3.410 1.00 0.00 N ATOM 441 CZ ARG A 28 5.290 -4.979 2.487 1.00 0.00 C ATOM 442 NH1 ARG A 28 6.408 -4.362 2.734 1.00 0.00 N ATOM 443 NH2 ARG A 28 4.993 -5.240 1.260 1.00 0.00 N ATOM 0 H ARG A 28 5.291 -1.716 7.049 1.00 0.00 H new ATOM 0 HA ARG A 28 2.523 -1.978 6.573 1.00 0.00 H new ATOM 0 HB2 ARG A 28 4.814 -3.867 7.310 1.00 0.00 H new ATOM 0 HB3 ARG A 28 3.188 -4.511 7.200 1.00 0.00 H new ATOM 0 HG2 ARG A 28 3.021 -3.688 4.838 1.00 0.00 H new ATOM 0 HG3 ARG A 28 4.646 -3.041 4.948 1.00 0.00 H new ATOM 0 HD2 ARG A 28 5.613 -5.261 5.158 1.00 0.00 H new ATOM 0 HD3 ARG A 28 4.039 -5.996 5.394 1.00 0.00 H new ATOM 0 HE ARG A 28 3.570 -5.817 3.080 1.00 0.00 H new ATOM 0 HH11 ARG A 28 6.666 -4.140 3.695 1.00 0.00 H new ATOM 0 HH12 ARG A 28 7.026 -4.100 1.966 1.00 0.00 H new ATOM 0 HH21 ARG A 28 4.121 -5.720 1.037 1.00 0.00 H new ATOM 0 HH22 ARG A 28 5.630 -4.966 0.512 1.00 0.00 H new ATOM 456 N ALA A 29 2.975 -2.074 9.767 1.00 0.00 N ATOM 457 CA ALA A 29 2.168 -1.737 10.969 1.00 0.00 C ATOM 458 C ALA A 29 1.139 -0.559 10.823 1.00 0.00 C ATOM 459 O ALA A 29 0.003 -0.716 11.266 1.00 0.00 O ATOM 460 CB ALA A 29 3.172 -1.476 12.103 1.00 0.00 C ATOM 0 H ALA A 29 3.981 -1.985 9.907 1.00 0.00 H new ATOM 0 HA ALA A 29 1.508 -2.582 11.169 1.00 0.00 H new ATOM 0 HB1 ALA A 29 2.632 -1.222 13.016 1.00 0.00 H new ATOM 0 HB2 ALA A 29 3.771 -2.371 12.272 1.00 0.00 H new ATOM 0 HB3 ALA A 29 3.826 -0.649 11.827 1.00 0.00 H new ATOM 466 N GLU A 30 1.497 0.568 10.181 1.00 0.00 N ATOM 467 CA GLU A 30 0.522 1.638 9.816 1.00 0.00 C ATOM 468 C GLU A 30 -0.647 1.200 8.857 1.00 0.00 C ATOM 469 O GLU A 30 -1.795 1.535 9.152 1.00 0.00 O ATOM 470 CB GLU A 30 1.268 2.842 9.191 1.00 0.00 C ATOM 471 CG GLU A 30 2.132 3.674 10.158 1.00 0.00 C ATOM 472 CD GLU A 30 3.009 4.666 9.408 1.00 0.00 C ATOM 473 OE1 GLU A 30 4.201 4.476 9.179 1.00 0.00 O ATOM 474 OE2 GLU A 30 2.310 5.755 8.983 1.00 0.00 O ATOM 0 H GLU A 30 2.456 0.771 9.899 1.00 0.00 H new ATOM 0 HA GLU A 30 0.041 1.904 10.757 1.00 0.00 H new ATOM 0 HB2 GLU A 30 1.908 2.472 8.390 1.00 0.00 H new ATOM 0 HB3 GLU A 30 0.532 3.502 8.732 1.00 0.00 H new ATOM 0 HG2 GLU A 30 1.487 4.210 10.854 1.00 0.00 H new ATOM 0 HG3 GLU A 30 2.759 3.009 10.752 1.00 0.00 H new ATOM 482 N ILE A 31 -0.384 0.450 7.768 1.00 0.00 N ATOM 483 CA ILE A 31 -1.467 -0.173 6.936 1.00 0.00 C ATOM 484 C ILE A 31 -2.398 -1.137 7.782 1.00 0.00 C ATOM 485 O ILE A 31 -3.618 -0.979 7.724 1.00 0.00 O ATOM 486 CB ILE A 31 -0.915 -0.867 5.641 1.00 0.00 C ATOM 487 CG1 ILE A 31 -0.184 0.064 4.625 1.00 0.00 C ATOM 488 CG2 ILE A 31 -2.062 -1.501 4.789 1.00 0.00 C ATOM 489 CD1 ILE A 31 1.244 0.453 4.972 1.00 0.00 C ATOM 0 H ILE A 31 0.560 0.254 7.434 1.00 0.00 H new ATOM 0 HA ILE A 31 -2.096 0.650 6.596 1.00 0.00 H new ATOM 0 HB ILE A 31 -0.214 -1.587 6.063 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -0.177 -0.429 3.653 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -0.770 0.977 4.515 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -1.639 -1.971 3.901 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -2.584 -2.251 5.383 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -2.764 -0.723 4.488 1.00 0.00 H new ATOM 0 HD11 ILE A 31 1.645 1.100 4.192 1.00 0.00 H new ATOM 0 HD12 ILE A 31 1.256 0.983 5.924 1.00 0.00 H new ATOM 0 HD13 ILE A 31 1.857 -0.445 5.049 1.00 0.00 H new ATOM 501 N ALA A 32 -1.837 -2.083 8.553 1.00 0.00 N ATOM 502 CA ALA A 32 -2.626 -2.946 9.464 1.00 0.00 C ATOM 503 C ALA A 32 -3.444 -2.244 10.604 1.00 0.00 C ATOM 504 O ALA A 32 -4.623 -2.554 10.782 1.00 0.00 O ATOM 505 CB ALA A 32 -1.651 -4.002 10.011 1.00 0.00 C ATOM 0 H ALA A 32 -0.835 -2.274 8.567 1.00 0.00 H new ATOM 0 HA ALA A 32 -3.436 -3.377 8.876 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -2.181 -4.669 10.691 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -1.239 -4.580 9.184 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -0.841 -3.507 10.546 1.00 0.00 H new ATOM 511 N GLN A 33 -2.829 -1.328 11.362 1.00 0.00 N ATOM 512 CA GLN A 33 -3.473 -0.666 12.526 1.00 0.00 C ATOM 513 C GLN A 33 -4.435 0.521 12.176 1.00 0.00 C ATOM 514 O GLN A 33 -5.549 0.546 12.702 1.00 0.00 O ATOM 515 CB GLN A 33 -2.372 -0.197 13.522 1.00 0.00 C ATOM 516 CG GLN A 33 -1.605 -1.348 14.214 1.00 0.00 C ATOM 517 CD GLN A 33 -0.481 -0.878 15.122 1.00 0.00 C ATOM 518 OE1 GLN A 33 0.678 -0.784 14.736 1.00 0.00 O ATOM 519 NE2 GLN A 33 -0.764 -0.578 16.363 1.00 0.00 N ATOM 0 H GLN A 33 -1.872 -1.018 11.194 1.00 0.00 H new ATOM 0 HA GLN A 33 -4.120 -1.419 12.977 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -1.658 0.429 12.987 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -2.833 0.428 14.287 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -2.308 -1.940 14.799 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -1.191 -2.007 13.451 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -1.724 -0.651 16.699 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -0.025 -0.271 16.995 1.00 0.00 H new ATOM 528 N ARG A 34 -4.027 1.489 11.336 1.00 0.00 N ATOM 529 CA ARG A 34 -4.897 2.651 10.968 1.00 0.00 C ATOM 530 C ARG A 34 -6.166 2.325 10.111 1.00 0.00 C ATOM 531 O ARG A 34 -7.223 2.907 10.364 1.00 0.00 O ATOM 532 CB ARG A 34 -3.974 3.717 10.326 1.00 0.00 C ATOM 533 CG ARG A 34 -4.617 5.058 9.937 1.00 0.00 C ATOM 534 CD ARG A 34 -5.213 5.856 11.100 1.00 0.00 C ATOM 535 NE ARG A 34 -5.858 7.086 10.582 1.00 0.00 N ATOM 536 CZ ARG A 34 -7.108 7.185 10.154 1.00 0.00 C ATOM 537 NH1 ARG A 34 -7.954 6.195 10.101 1.00 0.00 N ATOM 538 NH2 ARG A 34 -7.506 8.344 9.757 1.00 0.00 N ATOM 0 H ARG A 34 -3.108 1.502 10.894 1.00 0.00 H new ATOM 0 HA ARG A 34 -5.363 3.028 11.879 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -3.159 3.922 11.021 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -3.528 3.283 9.431 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -3.865 5.673 9.442 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -5.404 4.867 9.207 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -5.943 5.248 11.635 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -4.431 6.116 11.814 1.00 0.00 H new ATOM 0 HE ARG A 34 -5.289 7.932 10.552 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -7.668 5.263 10.402 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -8.902 6.352 9.758 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -6.867 9.138 9.780 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -8.460 8.467 9.419 1.00 0.00 H new ATOM 551 N LEU A 35 -6.071 1.423 9.127 1.00 0.00 N ATOM 552 CA LEU A 35 -7.256 0.937 8.365 1.00 0.00 C ATOM 553 C LEU A 35 -8.154 -0.162 9.064 1.00 0.00 C ATOM 554 O LEU A 35 -9.275 -0.394 8.601 1.00 0.00 O ATOM 555 CB LEU A 35 -6.767 0.404 6.991 1.00 0.00 C ATOM 556 CG LEU A 35 -6.109 1.436 6.046 1.00 0.00 C ATOM 557 CD1 LEU A 35 -5.512 0.697 4.844 1.00 0.00 C ATOM 558 CD2 LEU A 35 -7.091 2.502 5.553 1.00 0.00 C ATOM 0 H LEU A 35 -5.189 1.006 8.830 1.00 0.00 H new ATOM 0 HA LEU A 35 -7.915 1.801 8.282 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -6.052 -0.398 7.171 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -7.618 -0.038 6.474 1.00 0.00 H new ATOM 0 HG LEU A 35 -5.335 1.954 6.612 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -5.045 1.416 4.170 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -4.763 -0.016 5.190 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -6.302 0.164 4.315 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -6.572 3.198 4.894 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -7.904 2.023 5.007 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -7.497 3.045 6.406 1.00 0.00 H new ATOM 570 N GLY A 36 -7.678 -0.822 10.131 1.00 0.00 N ATOM 571 CA GLY A 36 -8.473 -1.818 10.888 1.00 0.00 C ATOM 572 C GLY A 36 -8.481 -3.245 10.321 1.00 0.00 C ATOM 573 O GLY A 36 -9.537 -3.735 9.917 1.00 0.00 O ATOM 0 H GLY A 36 -6.736 -0.686 10.497 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -8.093 -1.856 11.909 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -9.503 -1.465 10.944 1.00 0.00 H new ATOM 577 N PHE A 37 -7.321 -3.905 10.319 1.00 0.00 N ATOM 578 CA PHE A 37 -7.178 -5.281 9.786 1.00 0.00 C ATOM 579 C PHE A 37 -7.222 -6.373 10.902 1.00 0.00 C ATOM 580 O PHE A 37 -6.603 -6.249 11.962 1.00 0.00 O ATOM 581 CB PHE A 37 -5.834 -5.391 9.009 1.00 0.00 C ATOM 582 CG PHE A 37 -5.925 -4.935 7.549 1.00 0.00 C ATOM 583 CD1 PHE A 37 -6.354 -5.839 6.567 1.00 0.00 C ATOM 584 CD2 PHE A 37 -5.594 -3.628 7.163 1.00 0.00 C ATOM 585 CE1 PHE A 37 -6.432 -5.455 5.230 1.00 0.00 C ATOM 586 CE2 PHE A 37 -5.656 -3.247 5.821 1.00 0.00 C ATOM 587 CZ PHE A 37 -6.073 -4.162 4.858 1.00 0.00 C ATOM 0 H PHE A 37 -6.453 -3.512 10.682 1.00 0.00 H new ATOM 0 HA PHE A 37 -8.026 -5.463 9.126 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -5.079 -4.793 9.520 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -5.493 -6.426 9.036 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -6.627 -6.845 6.850 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -5.289 -2.910 7.910 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -6.770 -6.159 4.484 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -5.381 -2.244 5.530 1.00 0.00 H new ATOM 0 HZ PHE A 37 -6.118 -3.868 3.820 1.00 0.00 H new ATOM 597 N ARG A 38 -7.876 -7.493 10.586 1.00 0.00 N ATOM 598 CA ARG A 38 -7.892 -8.703 11.455 1.00 0.00 C ATOM 599 C ARG A 38 -6.511 -9.450 11.619 1.00 0.00 C ATOM 600 O ARG A 38 -6.233 -9.981 12.694 1.00 0.00 O ATOM 601 CB ARG A 38 -8.960 -9.690 10.901 1.00 0.00 C ATOM 602 CG ARG A 38 -10.405 -9.140 10.817 1.00 0.00 C ATOM 603 CD ARG A 38 -11.014 -9.147 9.404 1.00 0.00 C ATOM 604 NE ARG A 38 -10.322 -8.282 8.414 1.00 0.00 N ATOM 605 CZ ARG A 38 -10.493 -6.978 8.255 1.00 0.00 C ATOM 606 NH1 ARG A 38 -11.234 -6.235 9.019 1.00 0.00 N ATOM 607 NH2 ARG A 38 -9.867 -6.411 7.282 1.00 0.00 N ATOM 0 H ARG A 38 -8.413 -7.601 9.725 1.00 0.00 H new ATOM 0 HA ARG A 38 -8.131 -8.349 12.458 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -8.653 -10.006 9.904 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -8.966 -10.580 11.530 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -11.043 -9.730 11.476 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -10.413 -8.118 11.196 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -11.014 -10.171 9.031 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -12.055 -8.832 9.473 1.00 0.00 H new ATOM 0 HE ARG A 38 -9.649 -8.737 7.796 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -11.733 -6.651 9.805 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -11.317 -5.236 8.833 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -9.268 -6.964 6.670 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -9.971 -5.409 7.124 1.00 0.00 H new ATOM 620 N SER A 39 -5.682 -9.489 10.564 1.00 0.00 N ATOM 621 CA SER A 39 -4.283 -9.979 10.639 1.00 0.00 C ATOM 622 C SER A 39 -3.306 -9.039 9.847 1.00 0.00 C ATOM 623 O SER A 39 -3.676 -8.596 8.751 1.00 0.00 O ATOM 624 CB SER A 39 -4.257 -11.418 10.059 1.00 0.00 C ATOM 625 OG SER A 39 -2.954 -11.999 10.135 1.00 0.00 O ATOM 0 H SER A 39 -5.956 -9.183 9.631 1.00 0.00 H new ATOM 0 HA SER A 39 -3.944 -9.981 11.675 1.00 0.00 H new ATOM 0 HB2 SER A 39 -4.965 -12.042 10.604 1.00 0.00 H new ATOM 0 HB3 SER A 39 -4.585 -11.397 9.020 1.00 0.00 H new ATOM 0 HG SER A 39 -2.978 -12.905 9.762 1.00 0.00 H new ATOM 631 N PRO A 40 -2.047 -8.749 10.282 1.00 0.00 N ATOM 632 CA PRO A 40 -1.057 -7.992 9.433 1.00 0.00 C ATOM 633 C PRO A 40 -0.620 -8.626 8.076 1.00 0.00 C ATOM 634 O PRO A 40 -0.266 -7.887 7.156 1.00 0.00 O ATOM 635 CB PRO A 40 0.113 -7.765 10.422 1.00 0.00 C ATOM 636 CG PRO A 40 0.036 -8.960 11.397 1.00 0.00 C ATOM 637 CD PRO A 40 -1.474 -9.207 11.567 1.00 0.00 C ATOM 0 HA PRO A 40 -1.509 -7.083 9.037 1.00 0.00 H new ATOM 0 HB2 PRO A 40 1.071 -7.738 9.903 1.00 0.00 H new ATOM 0 HB3 PRO A 40 0.009 -6.816 10.949 1.00 0.00 H new ATOM 0 HG2 PRO A 40 0.541 -9.838 10.993 1.00 0.00 H new ATOM 0 HG3 PRO A 40 0.512 -8.729 12.350 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -1.690 -10.260 11.750 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -1.880 -8.647 12.409 1.00 0.00 H new ATOM 645 N ASN A 41 -0.706 -9.959 7.923 1.00 0.00 N ATOM 646 CA ASN A 41 -0.582 -10.626 6.597 1.00 0.00 C ATOM 647 C ASN A 41 -1.703 -10.279 5.540 1.00 0.00 C ATOM 648 O ASN A 41 -1.420 -10.323 4.342 1.00 0.00 O ATOM 649 CB ASN A 41 -0.457 -12.147 6.853 1.00 0.00 C ATOM 650 CG ASN A 41 0.197 -12.916 5.714 1.00 0.00 C ATOM 651 OD1 ASN A 41 1.407 -12.883 5.529 1.00 0.00 O ATOM 652 ND2 ASN A 41 -0.549 -13.633 4.916 1.00 0.00 N ATOM 0 H ASN A 41 -0.861 -10.604 8.698 1.00 0.00 H new ATOM 0 HA ASN A 41 0.311 -10.231 6.113 1.00 0.00 H new ATOM 0 HB2 ASN A 41 0.121 -12.305 7.763 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -1.451 -12.558 7.031 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -0.122 -14.156 4.151 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -1.558 -13.670 5.058 1.00 0.00 H new ATOM 659 N ALA A 42 -2.935 -9.933 5.957 1.00 0.00 N ATOM 660 CA ALA A 42 -3.946 -9.308 5.058 1.00 0.00 C ATOM 661 C ALA A 42 -3.568 -7.902 4.469 1.00 0.00 C ATOM 662 O ALA A 42 -3.693 -7.706 3.260 1.00 0.00 O ATOM 663 CB ALA A 42 -5.272 -9.293 5.829 1.00 0.00 C ATOM 0 H ALA A 42 -3.263 -10.073 6.913 1.00 0.00 H new ATOM 0 HA ALA A 42 -4.014 -9.910 4.152 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -6.048 -8.843 5.210 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -5.557 -10.314 6.082 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -5.155 -8.712 6.744 1.00 0.00 H new ATOM 669 N ALA A 43 -3.050 -6.974 5.288 1.00 0.00 N ATOM 670 CA ALA A 43 -2.386 -5.734 4.796 1.00 0.00 C ATOM 671 C ALA A 43 -1.161 -5.933 3.828 1.00 0.00 C ATOM 672 O ALA A 43 -1.141 -5.358 2.738 1.00 0.00 O ATOM 673 CB ALA A 43 -2.002 -4.953 6.064 1.00 0.00 C ATOM 0 H ALA A 43 -3.074 -7.051 6.305 1.00 0.00 H new ATOM 0 HA ALA A 43 -3.081 -5.196 4.152 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -1.506 -4.024 5.783 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -2.901 -4.726 6.637 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -1.326 -5.555 6.672 1.00 0.00 H new ATOM 679 N GLU A 44 -0.203 -6.784 4.217 1.00 0.00 N ATOM 680 CA GLU A 44 0.929 -7.237 3.357 1.00 0.00 C ATOM 681 C GLU A 44 0.553 -7.848 1.958 1.00 0.00 C ATOM 682 O GLU A 44 1.154 -7.464 0.953 1.00 0.00 O ATOM 683 CB GLU A 44 1.675 -8.261 4.254 1.00 0.00 C ATOM 684 CG GLU A 44 3.018 -8.795 3.726 1.00 0.00 C ATOM 685 CD GLU A 44 3.442 -10.050 4.477 1.00 0.00 C ATOM 686 OE1 GLU A 44 4.097 -10.044 5.513 1.00 0.00 O ATOM 687 OE2 GLU A 44 2.958 -11.179 3.891 1.00 0.00 O ATOM 0 H GLU A 44 -0.181 -7.191 5.152 1.00 0.00 H new ATOM 0 HA GLU A 44 1.526 -6.378 3.052 1.00 0.00 H new ATOM 0 HB2 GLU A 44 1.851 -7.798 5.225 1.00 0.00 H new ATOM 0 HB3 GLU A 44 1.014 -9.111 4.422 1.00 0.00 H new ATOM 0 HG2 GLU A 44 2.932 -9.016 2.662 1.00 0.00 H new ATOM 0 HG3 GLU A 44 3.785 -8.028 3.832 1.00 0.00 H new ATOM 695 N GLU A 45 -0.409 -8.785 1.889 1.00 0.00 N ATOM 696 CA GLU A 45 -0.877 -9.365 0.596 1.00 0.00 C ATOM 697 C GLU A 45 -1.685 -8.424 -0.357 1.00 0.00 C ATOM 698 O GLU A 45 -1.553 -8.575 -1.571 1.00 0.00 O ATOM 699 CB GLU A 45 -1.552 -10.735 0.850 1.00 0.00 C ATOM 700 CG GLU A 45 -2.971 -10.702 1.440 1.00 0.00 C ATOM 701 CD GLU A 45 -3.431 -12.027 2.015 1.00 0.00 C ATOM 702 OE1 GLU A 45 -4.221 -12.778 1.455 1.00 0.00 O ATOM 703 OE2 GLU A 45 -2.869 -12.272 3.233 1.00 0.00 O ATOM 0 H GLU A 45 -0.884 -9.164 2.708 1.00 0.00 H new ATOM 0 HA GLU A 45 0.025 -9.514 0.002 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -1.588 -11.278 -0.095 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -0.916 -11.309 1.524 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -3.010 -9.945 2.223 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -3.670 -10.393 0.662 1.00 0.00 H new ATOM 711 N HIS A 46 -2.455 -7.443 0.149 1.00 0.00 N ATOM 712 CA HIS A 46 -2.934 -6.303 -0.689 1.00 0.00 C ATOM 713 C HIS A 46 -1.802 -5.387 -1.288 1.00 0.00 C ATOM 714 O HIS A 46 -1.919 -4.991 -2.447 1.00 0.00 O ATOM 715 CB HIS A 46 -3.938 -5.428 0.094 1.00 0.00 C ATOM 716 CG HIS A 46 -5.328 -6.037 0.286 1.00 0.00 C ATOM 717 ND1 HIS A 46 -6.147 -6.426 -0.766 1.00 0.00 N ATOM 718 CD2 HIS A 46 -5.986 -6.222 1.512 1.00 0.00 C ATOM 719 CE1 HIS A 46 -7.238 -6.851 -0.057 1.00 0.00 C ATOM 720 NE2 HIS A 46 -7.233 -6.768 1.307 1.00 0.00 N ATOM 0 H HIS A 46 -2.762 -7.407 1.121 1.00 0.00 H new ATOM 0 HA HIS A 46 -3.417 -6.780 -1.541 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -3.516 -5.211 1.075 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -4.046 -4.475 -0.425 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -5.573 -5.972 2.478 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -8.099 -7.250 -0.573 1.00 0.00 H new ATOM 0 HE2 HIS A 46 -7.950 -7.035 1.982 1.00 0.00 H new ATOM 728 N LEU A 47 -0.726 -5.095 -0.542 1.00 0.00 N ATOM 729 CA LEU A 47 0.507 -4.478 -1.111 1.00 0.00 C ATOM 730 C LEU A 47 1.235 -5.333 -2.216 1.00 0.00 C ATOM 731 O LEU A 47 1.581 -4.780 -3.262 1.00 0.00 O ATOM 732 CB LEU A 47 1.479 -4.089 0.033 1.00 0.00 C ATOM 733 CG LEU A 47 0.968 -3.006 1.012 1.00 0.00 C ATOM 734 CD1 LEU A 47 1.872 -2.955 2.250 1.00 0.00 C ATOM 735 CD2 LEU A 47 0.921 -1.617 0.374 1.00 0.00 C ATOM 0 H LEU A 47 -0.674 -5.273 0.461 1.00 0.00 H new ATOM 0 HA LEU A 47 0.175 -3.585 -1.640 1.00 0.00 H new ATOM 0 HB2 LEU A 47 1.715 -4.987 0.605 1.00 0.00 H new ATOM 0 HB3 LEU A 47 2.411 -3.740 -0.411 1.00 0.00 H new ATOM 0 HG LEU A 47 -0.049 -3.282 1.290 1.00 0.00 H new ATOM 0 HD11 LEU A 47 1.507 -2.190 2.936 1.00 0.00 H new ATOM 0 HD12 LEU A 47 1.861 -3.924 2.748 1.00 0.00 H new ATOM 0 HD13 LEU A 47 2.891 -2.714 1.947 1.00 0.00 H new ATOM 0 HD21 LEU A 47 0.556 -0.894 1.103 1.00 0.00 H new ATOM 0 HD22 LEU A 47 1.922 -1.331 0.050 1.00 0.00 H new ATOM 0 HD23 LEU A 47 0.252 -1.634 -0.486 1.00 0.00 H new ATOM 747 N LYS A 48 1.387 -6.656 -2.035 1.00 0.00 N ATOM 748 CA LYS A 48 1.732 -7.588 -3.147 1.00 0.00 C ATOM 749 C LYS A 48 0.745 -7.572 -4.379 1.00 0.00 C ATOM 750 O LYS A 48 1.215 -7.454 -5.509 1.00 0.00 O ATOM 751 CB LYS A 48 1.857 -9.035 -2.606 1.00 0.00 C ATOM 752 CG LYS A 48 3.058 -9.288 -1.673 1.00 0.00 C ATOM 753 CD LYS A 48 3.023 -10.731 -1.138 1.00 0.00 C ATOM 754 CE LYS A 48 4.312 -11.184 -0.442 1.00 0.00 C ATOM 755 NZ LYS A 48 4.519 -10.529 0.863 1.00 0.00 N ATOM 0 H LYS A 48 1.278 -7.115 -1.131 1.00 0.00 H new ATOM 0 HA LYS A 48 2.684 -7.222 -3.532 1.00 0.00 H new ATOM 0 HB2 LYS A 48 0.942 -9.285 -2.069 1.00 0.00 H new ATOM 0 HB3 LYS A 48 1.926 -9.717 -3.453 1.00 0.00 H new ATOM 0 HG2 LYS A 48 3.989 -9.115 -2.212 1.00 0.00 H new ATOM 0 HG3 LYS A 48 3.036 -8.584 -0.841 1.00 0.00 H new ATOM 0 HD2 LYS A 48 2.194 -10.825 -0.436 1.00 0.00 H new ATOM 0 HD3 LYS A 48 2.816 -11.407 -1.967 1.00 0.00 H new ATOM 0 HE2 LYS A 48 4.282 -12.264 -0.300 1.00 0.00 H new ATOM 0 HE3 LYS A 48 5.163 -10.971 -1.089 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 5.404 -10.873 1.287 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 4.576 -9.499 0.729 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 3.723 -10.753 1.494 1.00 0.00 H new ATOM 768 N ALA A 49 -0.579 -7.640 -4.172 1.00 0.00 N ATOM 769 CA ALA A 49 -1.580 -7.481 -5.259 1.00 0.00 C ATOM 770 C ALA A 49 -1.585 -6.116 -6.031 1.00 0.00 C ATOM 771 O ALA A 49 -1.701 -6.127 -7.255 1.00 0.00 O ATOM 772 CB ALA A 49 -2.948 -7.804 -4.641 1.00 0.00 C ATOM 0 H ALA A 49 -0.993 -7.806 -3.255 1.00 0.00 H new ATOM 0 HA ALA A 49 -1.305 -8.170 -6.058 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -3.723 -7.702 -5.400 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -2.944 -8.826 -4.262 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -3.149 -7.114 -3.822 1.00 0.00 H new ATOM 778 N LEU A 50 -1.425 -4.973 -5.352 1.00 0.00 N ATOM 779 CA LEU A 50 -1.089 -3.670 -5.991 1.00 0.00 C ATOM 780 C LEU A 50 0.255 -3.620 -6.824 1.00 0.00 C ATOM 781 O LEU A 50 0.285 -2.985 -7.880 1.00 0.00 O ATOM 782 CB LEU A 50 -1.038 -2.639 -4.828 1.00 0.00 C ATOM 783 CG LEU A 50 -2.395 -2.183 -4.251 1.00 0.00 C ATOM 784 CD1 LEU A 50 -2.184 -1.560 -2.862 1.00 0.00 C ATOM 785 CD2 LEU A 50 -3.059 -1.147 -5.162 1.00 0.00 C ATOM 0 H LEU A 50 -1.523 -4.913 -4.338 1.00 0.00 H new ATOM 0 HA LEU A 50 -1.849 -3.462 -6.744 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -0.450 -3.068 -4.017 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -0.502 -1.757 -5.178 1.00 0.00 H new ATOM 0 HG LEU A 50 -3.042 -3.057 -4.179 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -3.144 -1.239 -2.458 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -1.738 -2.299 -2.196 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -1.520 -0.700 -2.946 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -4.013 -0.843 -4.732 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -2.410 -0.277 -5.257 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -3.227 -1.583 -6.147 1.00 0.00 H new ATOM 797 N ALA A 51 1.326 -4.288 -6.374 1.00 0.00 N ATOM 798 CA ALA A 51 2.532 -4.539 -7.206 1.00 0.00 C ATOM 799 C ALA A 51 2.344 -5.490 -8.437 1.00 0.00 C ATOM 800 O ALA A 51 2.770 -5.140 -9.538 1.00 0.00 O ATOM 801 CB ALA A 51 3.614 -5.048 -6.243 1.00 0.00 C ATOM 0 H ALA A 51 1.390 -4.671 -5.431 1.00 0.00 H new ATOM 0 HA ALA A 51 2.807 -3.604 -7.694 1.00 0.00 H new ATOM 0 HB1 ALA A 51 4.529 -5.251 -6.799 1.00 0.00 H new ATOM 0 HB2 ALA A 51 3.811 -4.291 -5.484 1.00 0.00 H new ATOM 0 HB3 ALA A 51 3.271 -5.964 -5.762 1.00 0.00 H new ATOM 807 N ARG A 52 1.677 -6.641 -8.265 1.00 0.00 N ATOM 808 CA ARG A 52 1.245 -7.526 -9.387 1.00 0.00 C ATOM 809 C ARG A 52 0.279 -6.878 -10.459 1.00 0.00 C ATOM 810 O ARG A 52 0.405 -7.180 -11.646 1.00 0.00 O ATOM 811 CB ARG A 52 0.574 -8.792 -8.780 1.00 0.00 C ATOM 812 CG ARG A 52 1.521 -9.715 -7.984 1.00 0.00 C ATOM 813 CD ARG A 52 0.750 -10.808 -7.230 1.00 0.00 C ATOM 814 NE ARG A 52 1.682 -11.618 -6.408 1.00 0.00 N ATOM 815 CZ ARG A 52 2.306 -12.719 -6.793 1.00 0.00 C ATOM 816 NH1 ARG A 52 2.201 -13.251 -7.975 1.00 0.00 N ATOM 817 NH2 ARG A 52 3.073 -13.295 -5.933 1.00 0.00 N ATOM 0 H ARG A 52 1.415 -6.996 -7.345 1.00 0.00 H new ATOM 0 HA ARG A 52 2.152 -7.754 -9.946 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -0.237 -8.476 -8.124 1.00 0.00 H new ATOM 0 HB3 ARG A 52 0.124 -9.369 -9.588 1.00 0.00 H new ATOM 0 HG2 ARG A 52 2.235 -10.178 -8.665 1.00 0.00 H new ATOM 0 HG3 ARG A 52 2.097 -9.121 -7.274 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -0.008 -10.354 -6.592 1.00 0.00 H new ATOM 0 HD3 ARG A 52 0.227 -11.450 -7.939 1.00 0.00 H new ATOM 0 HE ARG A 52 1.858 -11.296 -5.456 1.00 0.00 H new ATOM 0 HH11 ARG A 52 1.605 -12.816 -8.679 1.00 0.00 H new ATOM 0 HH12 ARG A 52 2.715 -14.103 -8.198 1.00 0.00 H new ATOM 0 HH21 ARG A 52 3.179 -12.899 -4.999 1.00 0.00 H new ATOM 0 HH22 ARG A 52 3.574 -14.147 -6.186 1.00 0.00 H new ATOM 830 N LYS A 53 -0.624 -5.982 -10.044 1.00 0.00 N ATOM 831 CA LYS A 53 -1.345 -5.048 -10.957 1.00 0.00 C ATOM 832 C LYS A 53 -0.470 -4.026 -11.791 1.00 0.00 C ATOM 833 O LYS A 53 -0.917 -3.575 -12.845 1.00 0.00 O ATOM 834 CB LYS A 53 -2.341 -4.287 -10.035 1.00 0.00 C ATOM 835 CG LYS A 53 -3.517 -3.569 -10.719 1.00 0.00 C ATOM 836 CD LYS A 53 -4.637 -4.531 -11.144 1.00 0.00 C ATOM 837 CE LYS A 53 -5.937 -3.794 -11.467 1.00 0.00 C ATOM 838 NZ LYS A 53 -6.963 -4.781 -11.856 1.00 0.00 N ATOM 0 H LYS A 53 -0.886 -5.873 -9.064 1.00 0.00 H new ATOM 0 HA LYS A 53 -1.806 -5.641 -11.747 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -2.750 -4.999 -9.318 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -1.778 -3.548 -9.465 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -3.925 -2.821 -10.039 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -3.150 -3.036 -11.596 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -4.315 -5.098 -12.018 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -4.818 -5.251 -10.346 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -6.272 -3.224 -10.601 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -5.775 -3.081 -12.275 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -7.892 -4.474 -11.502 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -6.995 -4.858 -12.893 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -6.726 -5.708 -11.447 1.00 0.00 H new ATOM 851 N GLY A 54 0.726 -3.658 -11.305 1.00 0.00 N ATOM 852 CA GLY A 54 1.619 -2.676 -11.970 1.00 0.00 C ATOM 853 C GLY A 54 1.597 -1.231 -11.432 1.00 0.00 C ATOM 854 O GLY A 54 1.647 -0.296 -12.232 1.00 0.00 O ATOM 0 H GLY A 54 1.109 -4.031 -10.436 1.00 0.00 H new ATOM 0 HA2 GLY A 54 2.641 -3.047 -11.901 1.00 0.00 H new ATOM 0 HA3 GLY A 54 1.361 -2.647 -13.029 1.00 0.00 H new ATOM 858 N VAL A 55 1.555 -1.052 -10.103 1.00 0.00 N ATOM 859 CA VAL A 55 1.291 0.284 -9.482 1.00 0.00 C ATOM 860 C VAL A 55 2.347 0.678 -8.371 1.00 0.00 C ATOM 861 O VAL A 55 2.741 1.843 -8.304 1.00 0.00 O ATOM 862 CB VAL A 55 -0.173 0.402 -8.920 1.00 0.00 C ATOM 863 CG1 VAL A 55 -0.547 1.881 -8.678 1.00 0.00 C ATOM 864 CG2 VAL A 55 -1.293 -0.149 -9.834 1.00 0.00 C ATOM 0 H VAL A 55 1.698 -1.803 -9.428 1.00 0.00 H new ATOM 0 HA VAL A 55 1.401 1.001 -10.295 1.00 0.00 H new ATOM 0 HB VAL A 55 -0.133 -0.201 -8.013 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -1.564 1.940 -8.289 1.00 0.00 H new ATOM 0 HG12 VAL A 55 0.143 2.318 -7.956 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -0.485 2.430 -9.617 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -2.259 -0.016 -9.347 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -1.287 0.390 -10.782 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -1.123 -1.210 -10.018 1.00 0.00 H new ATOM 874 N ILE A 56 2.767 -0.241 -7.489 1.00 0.00 N ATOM 875 CA ILE A 56 3.784 0.052 -6.432 1.00 0.00 C ATOM 876 C ILE A 56 4.971 -0.968 -6.500 1.00 0.00 C ATOM 877 O ILE A 56 4.764 -2.177 -6.622 1.00 0.00 O ATOM 878 CB ILE A 56 3.176 0.143 -4.976 1.00 0.00 C ATOM 879 CG1 ILE A 56 2.485 -1.154 -4.507 1.00 0.00 C ATOM 880 CG2 ILE A 56 2.241 1.370 -4.857 1.00 0.00 C ATOM 881 CD1 ILE A 56 1.996 -1.173 -3.062 1.00 0.00 C ATOM 0 H ILE A 56 2.425 -1.202 -7.476 1.00 0.00 H new ATOM 0 HA ILE A 56 4.171 1.048 -6.648 1.00 0.00 H new ATOM 0 HB ILE A 56 4.017 0.276 -4.295 1.00 0.00 H new ATOM 0 HG12 ILE A 56 1.633 -1.343 -5.159 1.00 0.00 H new ATOM 0 HG13 ILE A 56 3.181 -1.982 -4.644 1.00 0.00 H new ATOM 0 HG21 ILE A 56 1.831 1.418 -3.848 1.00 0.00 H new ATOM 0 HG22 ILE A 56 2.806 2.279 -5.063 1.00 0.00 H new ATOM 0 HG23 ILE A 56 1.427 1.278 -5.576 1.00 0.00 H new ATOM 0 HD11 ILE A 56 1.529 -2.134 -2.849 1.00 0.00 H new ATOM 0 HD12 ILE A 56 2.841 -1.023 -2.390 1.00 0.00 H new ATOM 0 HD13 ILE A 56 1.269 -0.375 -2.914 1.00 0.00 H new ATOM 893 N GLU A 57 6.214 -0.486 -6.399 1.00 0.00 N ATOM 894 CA GLU A 57 7.415 -1.367 -6.427 1.00 0.00 C ATOM 895 C GLU A 57 7.874 -1.694 -4.966 1.00 0.00 C ATOM 896 O GLU A 57 8.218 -0.798 -4.189 1.00 0.00 O ATOM 897 CB GLU A 57 8.549 -0.691 -7.238 1.00 0.00 C ATOM 898 CG GLU A 57 8.245 -0.514 -8.741 1.00 0.00 C ATOM 899 CD GLU A 57 9.341 0.226 -9.487 1.00 0.00 C ATOM 900 OE1 GLU A 57 10.248 -0.327 -10.099 1.00 0.00 O ATOM 901 OE2 GLU A 57 9.204 1.577 -9.403 1.00 0.00 O ATOM 0 H GLU A 57 6.428 0.506 -6.297 1.00 0.00 H new ATOM 0 HA GLU A 57 7.164 -2.307 -6.919 1.00 0.00 H new ATOM 0 HB2 GLU A 57 8.755 0.288 -6.804 1.00 0.00 H new ATOM 0 HB3 GLU A 57 9.457 -1.284 -7.132 1.00 0.00 H new ATOM 0 HG2 GLU A 57 8.103 -1.495 -9.195 1.00 0.00 H new ATOM 0 HG3 GLU A 57 7.306 0.028 -8.854 1.00 0.00 H new ATOM 909 N ILE A 58 7.849 -2.980 -4.601 1.00 0.00 N ATOM 910 CA ILE A 58 8.134 -3.429 -3.206 1.00 0.00 C ATOM 911 C ILE A 58 9.676 -3.652 -3.010 1.00 0.00 C ATOM 912 O ILE A 58 10.297 -4.460 -3.709 1.00 0.00 O ATOM 913 CB ILE A 58 7.342 -4.743 -2.846 1.00 0.00 C ATOM 914 CG1 ILE A 58 5.831 -4.749 -3.193 1.00 0.00 C ATOM 915 CG2 ILE A 58 7.512 -5.134 -1.354 1.00 0.00 C ATOM 916 CD1 ILE A 58 4.964 -3.663 -2.567 1.00 0.00 C ATOM 0 H ILE A 58 7.635 -3.742 -5.244 1.00 0.00 H new ATOM 0 HA ILE A 58 7.798 -2.643 -2.529 1.00 0.00 H new ATOM 0 HB ILE A 58 7.806 -5.483 -3.498 1.00 0.00 H new ATOM 0 HG12 ILE A 58 5.734 -4.675 -4.276 1.00 0.00 H new ATOM 0 HG13 ILE A 58 5.422 -5.716 -2.901 1.00 0.00 H new ATOM 0 HG21 ILE A 58 6.949 -6.045 -1.150 1.00 0.00 H new ATOM 0 HG22 ILE A 58 8.567 -5.304 -1.140 1.00 0.00 H new ATOM 0 HG23 ILE A 58 7.139 -4.328 -0.722 1.00 0.00 H new ATOM 0 HD11 ILE A 58 3.932 -3.787 -2.895 1.00 0.00 H new ATOM 0 HD12 ILE A 58 5.011 -3.741 -1.481 1.00 0.00 H new ATOM 0 HD13 ILE A 58 5.328 -2.683 -2.877 1.00 0.00 H new ATOM 928 N VAL A 59 10.257 -2.997 -2.001 1.00 0.00 N ATOM 929 CA VAL A 59 11.656 -3.282 -1.546 1.00 0.00 C ATOM 930 C VAL A 59 11.599 -4.517 -0.590 1.00 0.00 C ATOM 931 O VAL A 59 11.305 -4.393 0.603 1.00 0.00 O ATOM 932 CB VAL A 59 12.281 -2.028 -0.857 1.00 0.00 C ATOM 933 CG1 VAL A 59 13.742 -2.259 -0.405 1.00 0.00 C ATOM 934 CG2 VAL A 59 12.296 -0.793 -1.775 1.00 0.00 C ATOM 0 H VAL A 59 9.793 -2.260 -1.470 1.00 0.00 H new ATOM 0 HA VAL A 59 12.301 -3.512 -2.394 1.00 0.00 H new ATOM 0 HB VAL A 59 11.639 -1.854 0.007 1.00 0.00 H new ATOM 0 HG11 VAL A 59 14.124 -1.354 0.067 1.00 0.00 H new ATOM 0 HG12 VAL A 59 13.776 -3.082 0.308 1.00 0.00 H new ATOM 0 HG13 VAL A 59 14.357 -2.504 -1.271 1.00 0.00 H new ATOM 0 HG21 VAL A 59 12.741 0.049 -1.245 1.00 0.00 H new ATOM 0 HG22 VAL A 59 12.882 -1.010 -2.668 1.00 0.00 H new ATOM 0 HG23 VAL A 59 11.275 -0.542 -2.063 1.00 0.00 H new ATOM 944 N SER A 60 11.804 -5.715 -1.156 1.00 0.00 N ATOM 945 CA SER A 60 11.360 -6.966 -0.491 1.00 0.00 C ATOM 946 C SER A 60 12.242 -7.396 0.718 1.00 0.00 C ATOM 947 O SER A 60 13.463 -7.528 0.602 1.00 0.00 O ATOM 948 CB SER A 60 11.256 -8.067 -1.569 1.00 0.00 C ATOM 949 OG SER A 60 10.582 -9.212 -1.049 1.00 0.00 O ATOM 0 H SER A 60 12.265 -5.852 -2.056 1.00 0.00 H new ATOM 0 HA SER A 60 10.384 -6.787 -0.039 1.00 0.00 H new ATOM 0 HB2 SER A 60 10.719 -7.685 -2.437 1.00 0.00 H new ATOM 0 HB3 SER A 60 12.253 -8.347 -1.909 1.00 0.00 H new ATOM 0 HG SER A 60 10.522 -9.900 -1.744 1.00 0.00 H new ATOM 955 N GLY A 61 11.607 -7.555 1.888 1.00 0.00 N ATOM 956 CA GLY A 61 12.329 -7.574 3.188 1.00 0.00 C ATOM 957 C GLY A 61 12.028 -6.391 4.135 1.00 0.00 C ATOM 958 O GLY A 61 11.810 -6.606 5.328 1.00 0.00 O ATOM 0 H GLY A 61 10.597 -7.673 1.971 1.00 0.00 H new ATOM 0 HA2 GLY A 61 12.085 -8.502 3.705 1.00 0.00 H new ATOM 0 HA3 GLY A 61 13.400 -7.593 2.988 1.00 0.00 H new ATOM 962 N ALA A 62 12.046 -5.155 3.622 1.00 0.00 N ATOM 963 CA ALA A 62 11.762 -3.948 4.424 1.00 0.00 C ATOM 964 C ALA A 62 10.242 -3.694 4.679 1.00 0.00 C ATOM 965 O ALA A 62 9.464 -3.459 3.751 1.00 0.00 O ATOM 966 CB ALA A 62 12.408 -2.776 3.660 1.00 0.00 C ATOM 0 H ALA A 62 12.256 -4.958 2.643 1.00 0.00 H new ATOM 0 HA ALA A 62 12.175 -4.069 5.425 1.00 0.00 H new ATOM 0 HB1 ALA A 62 12.234 -1.847 4.203 1.00 0.00 H new ATOM 0 HB2 ALA A 62 13.481 -2.948 3.570 1.00 0.00 H new ATOM 0 HB3 ALA A 62 11.967 -2.703 2.666 1.00 0.00 H new ATOM 972 N SER A 63 9.846 -3.677 5.962 1.00 0.00 N ATOM 973 CA SER A 63 8.474 -3.256 6.384 1.00 0.00 C ATOM 974 C SER A 63 8.033 -1.807 5.974 1.00 0.00 C ATOM 975 O SER A 63 6.899 -1.625 5.529 1.00 0.00 O ATOM 976 CB SER A 63 8.380 -3.481 7.914 1.00 0.00 C ATOM 977 OG SER A 63 7.066 -3.220 8.408 1.00 0.00 O ATOM 0 H SER A 63 10.450 -3.949 6.738 1.00 0.00 H new ATOM 0 HA SER A 63 7.762 -3.871 5.834 1.00 0.00 H new ATOM 0 HB2 SER A 63 8.659 -4.508 8.148 1.00 0.00 H new ATOM 0 HB3 SER A 63 9.095 -2.833 8.421 1.00 0.00 H new ATOM 0 HG SER A 63 7.044 -3.374 9.376 1.00 0.00 H new ATOM 983 N ARG A 64 8.929 -0.815 6.086 1.00 0.00 N ATOM 984 CA ARG A 64 8.784 0.484 5.371 1.00 0.00 C ATOM 985 C ARG A 64 9.589 0.444 4.029 1.00 0.00 C ATOM 986 O ARG A 64 10.740 0.884 3.951 1.00 0.00 O ATOM 987 CB ARG A 64 9.256 1.570 6.363 1.00 0.00 C ATOM 988 CG ARG A 64 8.952 3.009 5.916 1.00 0.00 C ATOM 989 CD ARG A 64 9.283 4.069 6.980 1.00 0.00 C ATOM 990 NE ARG A 64 10.740 4.227 7.210 1.00 0.00 N ATOM 991 CZ ARG A 64 11.569 4.939 6.465 1.00 0.00 C ATOM 992 NH1 ARG A 64 11.218 5.607 5.405 1.00 0.00 N ATOM 993 NH2 ARG A 64 12.808 4.964 6.819 1.00 0.00 N ATOM 0 H ARG A 64 9.767 -0.878 6.664 1.00 0.00 H new ATOM 0 HA ARG A 64 7.758 0.702 5.075 1.00 0.00 H new ATOM 0 HB2 ARG A 64 8.782 1.394 7.329 1.00 0.00 H new ATOM 0 HB3 ARG A 64 10.331 1.467 6.512 1.00 0.00 H new ATOM 0 HG2 ARG A 64 9.519 3.226 5.011 1.00 0.00 H new ATOM 0 HG3 ARG A 64 7.896 3.084 5.657 1.00 0.00 H new ATOM 0 HD2 ARG A 64 8.864 5.027 6.673 1.00 0.00 H new ATOM 0 HD3 ARG A 64 8.800 3.796 7.919 1.00 0.00 H new ATOM 0 HE ARG A 64 11.138 3.743 8.015 1.00 0.00 H new ATOM 0 HH11 ARG A 64 10.245 5.603 5.099 1.00 0.00 H new ATOM 0 HH12 ARG A 64 11.916 6.134 4.880 1.00 0.00 H new ATOM 0 HH21 ARG A 64 13.113 4.448 7.644 1.00 0.00 H new ATOM 0 HH22 ARG A 64 13.483 5.500 6.274 1.00 0.00 H new ATOM 1006 N GLY A 65 8.975 -0.124 2.984 1.00 0.00 N ATOM 1007 CA GLY A 65 9.680 -0.382 1.701 1.00 0.00 C ATOM 1008 C GLY A 65 8.780 -0.395 0.460 1.00 0.00 C ATOM 1009 O GLY A 65 8.620 -1.438 -0.174 1.00 0.00 O ATOM 0 H GLY A 65 7.998 -0.416 2.991 1.00 0.00 H new ATOM 0 HA2 GLY A 65 10.449 0.379 1.566 1.00 0.00 H new ATOM 0 HA3 GLY A 65 10.191 -1.342 1.771 1.00 0.00 H new ATOM 1013 N ILE A 66 8.218 0.766 0.114 1.00 0.00 N ATOM 1014 CA ILE A 66 7.187 0.879 -0.958 1.00 0.00 C ATOM 1015 C ILE A 66 7.545 2.127 -1.845 1.00 0.00 C ATOM 1016 O ILE A 66 7.545 3.259 -1.352 1.00 0.00 O ATOM 1017 CB ILE A 66 5.740 1.033 -0.353 1.00 0.00 C ATOM 1018 CG1 ILE A 66 5.325 -0.013 0.716 1.00 0.00 C ATOM 1019 CG2 ILE A 66 4.663 1.086 -1.462 1.00 0.00 C ATOM 1020 CD1 ILE A 66 5.210 -1.466 0.273 1.00 0.00 C ATOM 0 H ILE A 66 8.452 1.655 0.556 1.00 0.00 H new ATOM 0 HA ILE A 66 7.186 -0.031 -1.559 1.00 0.00 H new ATOM 0 HB ILE A 66 5.799 1.983 0.178 1.00 0.00 H new ATOM 0 HG12 ILE A 66 6.048 0.034 1.530 1.00 0.00 H new ATOM 0 HG13 ILE A 66 4.362 0.290 1.127 1.00 0.00 H new ATOM 0 HG21 ILE A 66 3.678 1.192 -1.008 1.00 0.00 H new ATOM 0 HG22 ILE A 66 4.855 1.937 -2.115 1.00 0.00 H new ATOM 0 HG23 ILE A 66 4.696 0.166 -2.045 1.00 0.00 H new ATOM 0 HD11 ILE A 66 4.913 -2.083 1.121 1.00 0.00 H new ATOM 0 HD12 ILE A 66 4.461 -1.548 -0.515 1.00 0.00 H new ATOM 0 HD13 ILE A 66 6.173 -1.808 -0.105 1.00 0.00 H new ATOM 1032 N ARG A 67 7.805 1.934 -3.143 1.00 0.00 N ATOM 1033 CA ARG A 67 8.020 3.067 -4.092 1.00 0.00 C ATOM 1034 C ARG A 67 6.752 3.299 -4.977 1.00 0.00 C ATOM 1035 O ARG A 67 6.224 2.373 -5.601 1.00 0.00 O ATOM 1036 CB ARG A 67 9.293 2.779 -4.910 1.00 0.00 C ATOM 1037 CG ARG A 67 9.974 4.011 -5.537 1.00 0.00 C ATOM 1038 CD ARG A 67 10.641 4.986 -4.554 1.00 0.00 C ATOM 1039 NE ARG A 67 11.864 4.418 -3.938 1.00 0.00 N ATOM 1040 CZ ARG A 67 11.970 3.909 -2.721 1.00 0.00 C ATOM 1041 NH1 ARG A 67 10.992 3.801 -1.870 1.00 0.00 N ATOM 1042 NH2 ARG A 67 13.133 3.485 -2.362 1.00 0.00 N ATOM 0 H ARG A 67 7.874 1.012 -3.573 1.00 0.00 H new ATOM 0 HA ARG A 67 8.171 4.001 -3.551 1.00 0.00 H new ATOM 0 HB2 ARG A 67 10.013 2.278 -4.263 1.00 0.00 H new ATOM 0 HB3 ARG A 67 9.041 2.080 -5.708 1.00 0.00 H new ATOM 0 HG2 ARG A 67 10.729 3.664 -6.242 1.00 0.00 H new ATOM 0 HG3 ARG A 67 9.229 4.560 -6.112 1.00 0.00 H new ATOM 0 HD2 ARG A 67 10.895 5.908 -5.077 1.00 0.00 H new ATOM 0 HD3 ARG A 67 9.931 5.250 -3.770 1.00 0.00 H new ATOM 0 HE ARG A 67 12.709 4.420 -4.510 1.00 0.00 H new ATOM 0 HH11 ARG A 67 10.058 4.122 -2.124 1.00 0.00 H new ATOM 0 HH12 ARG A 67 11.160 3.395 -0.949 1.00 0.00 H new ATOM 0 HH21 ARG A 67 13.921 3.550 -3.006 1.00 0.00 H new ATOM 0 HH22 ARG A 67 13.265 3.084 -1.433 1.00 0.00 H new ATOM 1055 N LEU A 68 6.255 4.538 -4.994 1.00 0.00 N ATOM 1056 CA LEU A 68 4.931 4.874 -5.585 1.00 0.00 C ATOM 1057 C LEU A 68 4.993 5.290 -7.086 1.00 0.00 C ATOM 1058 O LEU A 68 5.588 6.313 -7.435 1.00 0.00 O ATOM 1059 CB LEU A 68 4.366 6.000 -4.670 1.00 0.00 C ATOM 1060 CG LEU A 68 2.994 6.597 -5.046 1.00 0.00 C ATOM 1061 CD1 LEU A 68 1.853 5.587 -4.941 1.00 0.00 C ATOM 1062 CD2 LEU A 68 2.700 7.804 -4.142 1.00 0.00 C ATOM 0 H LEU A 68 6.746 5.342 -4.604 1.00 0.00 H new ATOM 0 HA LEU A 68 4.282 3.999 -5.610 1.00 0.00 H new ATOM 0 HB2 LEU A 68 4.296 5.607 -3.656 1.00 0.00 H new ATOM 0 HB3 LEU A 68 5.092 6.812 -4.648 1.00 0.00 H new ATOM 0 HG LEU A 68 3.051 6.902 -6.091 1.00 0.00 H new ATOM 0 HD11 LEU A 68 0.915 6.068 -5.218 1.00 0.00 H new ATOM 0 HD12 LEU A 68 2.045 4.751 -5.613 1.00 0.00 H new ATOM 0 HD13 LEU A 68 1.784 5.221 -3.917 1.00 0.00 H new ATOM 0 HD21 LEU A 68 1.731 8.228 -4.405 1.00 0.00 H new ATOM 0 HD22 LEU A 68 2.685 7.483 -3.100 1.00 0.00 H new ATOM 0 HD23 LEU A 68 3.475 8.558 -4.278 1.00 0.00 H new ATOM 1074 N LEU A 69 4.277 4.554 -7.942 1.00 0.00 N ATOM 1075 CA LEU A 69 3.914 5.020 -9.309 1.00 0.00 C ATOM 1076 C LEU A 69 2.360 5.260 -9.314 1.00 0.00 C ATOM 1077 O LEU A 69 1.565 4.332 -9.483 1.00 0.00 O ATOM 1078 CB LEU A 69 4.339 3.984 -10.377 1.00 0.00 C ATOM 1079 CG LEU A 69 5.846 3.654 -10.473 1.00 0.00 C ATOM 1080 CD1 LEU A 69 6.041 2.492 -11.460 1.00 0.00 C ATOM 1081 CD2 LEU A 69 6.691 4.847 -10.929 1.00 0.00 C ATOM 0 H LEU A 69 3.928 3.621 -7.720 1.00 0.00 H new ATOM 0 HA LEU A 69 4.437 5.943 -9.559 1.00 0.00 H new ATOM 0 HB2 LEU A 69 3.801 3.056 -10.182 1.00 0.00 H new ATOM 0 HB3 LEU A 69 4.009 4.346 -11.351 1.00 0.00 H new ATOM 0 HG LEU A 69 6.184 3.384 -9.472 1.00 0.00 H new ATOM 0 HD11 LEU A 69 7.102 2.252 -11.534 1.00 0.00 H new ATOM 0 HD12 LEU A 69 5.495 1.618 -11.105 1.00 0.00 H new ATOM 0 HD13 LEU A 69 5.665 2.781 -12.441 1.00 0.00 H new ATOM 0 HD21 LEU A 69 7.740 4.553 -10.977 1.00 0.00 H new ATOM 0 HD22 LEU A 69 6.360 5.172 -11.915 1.00 0.00 H new ATOM 0 HD23 LEU A 69 6.576 5.667 -10.220 1.00 0.00 H new ATOM 1093 N GLN A 70 1.943 6.503 -9.030 1.00 0.00 N ATOM 1094 CA GLN A 70 0.538 6.798 -8.625 1.00 0.00 C ATOM 1095 C GLN A 70 -0.556 6.733 -9.744 1.00 0.00 C ATOM 1096 O GLN A 70 -0.927 7.735 -10.357 1.00 0.00 O ATOM 1097 CB GLN A 70 0.477 8.079 -7.757 1.00 0.00 C ATOM 1098 CG GLN A 70 0.899 9.420 -8.383 1.00 0.00 C ATOM 1099 CD GLN A 70 0.746 10.591 -7.419 1.00 0.00 C ATOM 1100 OE1 GLN A 70 -0.297 11.226 -7.323 1.00 0.00 O ATOM 1101 NE2 GLN A 70 1.766 10.929 -6.673 1.00 0.00 N ATOM 0 H GLN A 70 2.547 7.324 -9.070 1.00 0.00 H new ATOM 0 HA GLN A 70 0.243 5.948 -8.010 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -0.548 8.189 -7.402 1.00 0.00 H new ATOM 0 HB3 GLN A 70 1.102 7.913 -6.880 1.00 0.00 H new ATOM 0 HG2 GLN A 70 1.938 9.354 -8.707 1.00 0.00 H new ATOM 0 HG3 GLN A 70 0.298 9.606 -9.273 1.00 0.00 H new ATOM 0 HE21 GLN A 70 2.642 10.410 -6.741 1.00 0.00 H new ATOM 0 HE22 GLN A 70 1.686 11.711 -6.023 1.00 0.00 H new ATOM 1110 N GLU A 71 -1.106 5.529 -9.950 1.00 0.00 N ATOM 1111 CA GLU A 71 -2.247 5.294 -10.872 1.00 0.00 C ATOM 1112 C GLU A 71 -3.346 4.462 -10.127 1.00 0.00 C ATOM 1113 O GLU A 71 -3.158 3.279 -9.839 1.00 0.00 O ATOM 1114 CB GLU A 71 -1.706 4.577 -12.138 1.00 0.00 C ATOM 1115 CG GLU A 71 -2.579 4.686 -13.407 1.00 0.00 C ATOM 1116 CD GLU A 71 -3.961 4.071 -13.336 1.00 0.00 C ATOM 1117 OE1 GLU A 71 -4.198 2.883 -13.522 1.00 0.00 O ATOM 1118 OE2 GLU A 71 -4.910 4.988 -12.999 1.00 0.00 O ATOM 0 H GLU A 71 -0.778 4.682 -9.485 1.00 0.00 H new ATOM 0 HA GLU A 71 -2.712 6.229 -11.186 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -0.719 4.980 -12.365 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -1.573 3.521 -11.903 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -2.689 5.742 -13.655 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -2.041 4.219 -14.232 1.00 0.00 H new ATOM 1126 N GLU A 72 -4.503 5.074 -9.838 1.00 0.00 N ATOM 1127 CA GLU A 72 -5.661 4.351 -9.242 1.00 0.00 C ATOM 1128 C GLU A 72 -6.500 3.548 -10.272 1.00 0.00 C ATOM 1129 O GLU A 72 -6.833 3.963 -11.382 1.00 0.00 O ATOM 1130 CB GLU A 72 -6.502 5.313 -8.375 1.00 0.00 C ATOM 1131 CG GLU A 72 -7.206 6.486 -9.078 1.00 0.00 C ATOM 1132 CD GLU A 72 -7.916 7.407 -8.097 1.00 0.00 C ATOM 1133 OE1 GLU A 72 -9.097 7.300 -7.788 1.00 0.00 O ATOM 1134 OE2 GLU A 72 -7.088 8.362 -7.591 1.00 0.00 O ATOM 0 H GLU A 72 -4.673 6.066 -10.003 1.00 0.00 H new ATOM 0 HA GLU A 72 -5.259 3.579 -8.586 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -7.263 4.724 -7.864 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -5.850 5.727 -7.606 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -6.473 7.059 -9.645 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -7.929 6.096 -9.795 1.00 0.00 H new TER 1142 GLU A 72