USER MOD reduce.3.24.130724 H: found=0, std=0, add=471, rem=0, adj=4 USER MOD reduce.3.24.130724 removed 472 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 84 GLN : amide:sc= 2.07 K(o=2.1,f=-7.3!) USER MOD Set 1.2: A 136 TYR OH : rot -4:sc= 0.0449 USER MOD Single : A 97 HIS : no HE2:sc= -0.712 X(o=-0.71,f=-0.54) USER MOD Single : A 99 THR OG1 : rot 180:sc= 0.403 USER MOD Single : A 107 MET CE :methyl -176:sc= -0.559 (180deg=-0.601) USER MOD Single : A 112 GLN : amide:sc= 0.0418 X(o=0.042,f=-0.28) USER MOD Single : A 116 GLN : amide:sc= -0.112 K(o=-0.11,f=-0.96) USER MOD Single : A 122 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 130 GLN : amide:sc= -0.0369 K(o=-0.037,f=-1.1) USER MOD Single : A 135 ASN : amide:sc= -1.38 K(o=-1.4,f=-0.0051) USER MOD Single : A 142 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 37 N ALA A 78 -0.250 -14.711 -1.115 1.00 10.00 N ATOM 38 CA ALA A 78 0.426 -13.565 -0.563 1.00 10.00 C ATOM 39 C ALA A 78 1.403 -13.012 -1.589 1.00 10.00 C ATOM 40 O ALA A 78 1.646 -13.605 -2.641 1.00 10.00 O ATOM 41 CB ALA A 78 1.176 -13.977 0.675 1.00 10.00 C ATOM 0 HA ALA A 78 -0.304 -12.797 -0.307 1.00 10.00 H new ATOM 0 HB1 ALA A 78 1.689 -13.111 1.095 1.00 10.00 H new ATOM 0 HB2 ALA A 78 0.476 -14.375 1.409 1.00 10.00 H new ATOM 0 HB3 ALA A 78 1.908 -14.743 0.419 1.00 10.00 H new ATOM 47 N GLY A 79 1.889 -11.808 -1.326 1.00 10.00 N ATOM 48 CA GLY A 79 1.874 -10.875 -2.419 1.00 10.00 C ATOM 49 C GLY A 79 0.393 -10.585 -2.659 1.00 10.00 C ATOM 50 O GLY A 79 -0.288 -10.086 -1.772 1.00 10.00 O ATOM 0 H GLY A 79 2.268 -11.480 -0.438 1.00 10.00 H new ATOM 0 HA2 GLY A 79 2.421 -9.965 -2.171 1.00 10.00 H new ATOM 0 HA3 GLY A 79 2.344 -11.297 -3.307 1.00 10.00 H new ATOM 54 N LEU A 80 -0.121 -10.845 -3.854 1.00 10.00 N ATOM 55 CA LEU A 80 -1.220 -10.047 -4.368 1.00 10.00 C ATOM 56 C LEU A 80 -2.475 -9.958 -3.494 1.00 10.00 C ATOM 57 O LEU A 80 -3.067 -8.886 -3.343 1.00 10.00 O ATOM 58 CB LEU A 80 -1.476 -10.505 -5.810 1.00 10.00 C ATOM 59 CG LEU A 80 -2.544 -9.715 -6.587 1.00 10.00 C ATOM 60 CD1 LEU A 80 -2.069 -9.419 -8.018 1.00 10.00 C ATOM 61 CD2 LEU A 80 -3.804 -10.561 -6.691 1.00 10.00 C ATOM 0 H LEU A 80 0.200 -11.589 -4.474 1.00 10.00 H new ATOM 0 HA LEU A 80 -0.916 -9.000 -4.348 1.00 10.00 H new ATOM 0 HB2 LEU A 80 -0.537 -10.448 -6.361 1.00 10.00 H new ATOM 0 HB3 LEU A 80 -1.771 -11.554 -5.790 1.00 10.00 H new ATOM 0 HG LEU A 80 -2.730 -8.780 -6.059 1.00 10.00 H new ATOM 0 HD11 LEU A 80 -2.840 -8.860 -8.549 1.00 10.00 H new ATOM 0 HD12 LEU A 80 -1.153 -8.830 -7.983 1.00 10.00 H new ATOM 0 HD13 LEU A 80 -1.877 -10.357 -8.539 1.00 10.00 H new ATOM 0 HD21 LEU A 80 -4.568 -10.010 -7.240 1.00 10.00 H new ATOM 0 HD22 LEU A 80 -3.577 -11.489 -7.217 1.00 10.00 H new ATOM 0 HD23 LEU A 80 -4.171 -10.791 -5.691 1.00 10.00 H new ATOM 73 N GLU A 81 -2.840 -11.070 -2.875 1.00 10.00 N ATOM 74 CA GLU A 81 -3.977 -11.107 -1.963 1.00 10.00 C ATOM 75 C GLU A 81 -3.643 -10.310 -0.705 1.00 10.00 C ATOM 76 O GLU A 81 -4.437 -9.470 -0.282 1.00 10.00 O ATOM 77 CB GLU A 81 -4.371 -12.541 -1.592 1.00 10.00 C ATOM 78 CG GLU A 81 -4.670 -13.468 -2.778 1.00 10.00 C ATOM 79 CD GLU A 81 -5.995 -13.228 -3.489 1.00 10.00 C ATOM 80 OE1 GLU A 81 -6.293 -12.058 -3.803 1.00 10.00 O ATOM 81 OE2 GLU A 81 -6.666 -14.254 -3.740 1.00 10.00 O ATOM 0 H GLU A 81 -2.363 -11.965 -2.987 1.00 10.00 H new ATOM 0 HA GLU A 81 -4.832 -10.660 -2.471 1.00 10.00 H new ATOM 0 HB2 GLU A 81 -3.566 -12.980 -1.003 1.00 10.00 H new ATOM 0 HB3 GLU A 81 -5.251 -12.504 -0.951 1.00 10.00 H new ATOM 0 HG2 GLU A 81 -3.865 -13.367 -3.506 1.00 10.00 H new ATOM 0 HG3 GLU A 81 -4.651 -14.498 -2.423 1.00 10.00 H new ATOM 88 N ASP A 82 -2.459 -10.549 -0.127 1.00 10.00 N ATOM 89 CA ASP A 82 -1.963 -9.775 1.003 1.00 10.00 C ATOM 90 C ASP A 82 -2.082 -8.298 0.670 1.00 10.00 C ATOM 91 O ASP A 82 -2.609 -7.541 1.469 1.00 10.00 O ATOM 92 CB ASP A 82 -0.518 -10.127 1.401 1.00 10.00 C ATOM 93 CG ASP A 82 -0.429 -11.328 2.327 1.00 10.00 C ATOM 94 OD1 ASP A 82 -1.116 -12.328 2.030 1.00 10.00 O ATOM 95 OD2 ASP A 82 0.343 -11.229 3.305 1.00 10.00 O ATOM 0 H ASP A 82 -1.823 -11.285 -0.434 1.00 10.00 H new ATOM 0 HA ASP A 82 -2.575 -10.025 1.870 1.00 10.00 H new ATOM 0 HB2 ASP A 82 0.062 -10.327 0.500 1.00 10.00 H new ATOM 0 HB3 ASP A 82 -0.062 -9.265 1.889 1.00 10.00 H new ATOM 100 N LEU A 83 -1.655 -7.853 -0.510 1.00 10.00 N ATOM 101 CA LEU A 83 -1.805 -6.460 -0.862 1.00 10.00 C ATOM 102 C LEU A 83 -3.272 -6.002 -0.911 1.00 10.00 C ATOM 103 O LEU A 83 -3.604 -4.976 -0.328 1.00 10.00 O ATOM 104 CB LEU A 83 -1.076 -6.239 -2.172 1.00 10.00 C ATOM 105 CG LEU A 83 0.456 -6.280 -2.062 1.00 10.00 C ATOM 106 CD1 LEU A 83 1.043 -5.475 -0.906 1.00 10.00 C ATOM 107 CD2 LEU A 83 1.139 -7.631 -2.017 1.00 10.00 C ATOM 0 H LEU A 83 -1.211 -8.433 -1.222 1.00 10.00 H new ATOM 0 HA LEU A 83 -1.364 -5.838 -0.083 1.00 10.00 H new ATOM 0 HB2 LEU A 83 -1.397 -6.999 -2.885 1.00 10.00 H new ATOM 0 HB3 LEU A 83 -1.373 -5.273 -2.580 1.00 10.00 H new ATOM 0 HG LEU A 83 0.674 -5.824 -3.028 1.00 10.00 H new ATOM 0 HD11 LEU A 83 2.129 -5.567 -0.913 1.00 10.00 H new ATOM 0 HD12 LEU A 83 0.767 -4.426 -1.016 1.00 10.00 H new ATOM 0 HD13 LEU A 83 0.653 -5.856 0.038 1.00 10.00 H new ATOM 0 HD21 LEU A 83 2.217 -7.491 -1.939 1.00 10.00 H new ATOM 0 HD22 LEU A 83 0.782 -8.190 -1.152 1.00 10.00 H new ATOM 0 HD23 LEU A 83 0.910 -8.185 -2.927 1.00 10.00 H new ATOM 119 N GLN A 84 -4.184 -6.723 -1.566 1.00 10.00 N ATOM 120 CA GLN A 84 -5.594 -6.313 -1.559 1.00 10.00 C ATOM 121 C GLN A 84 -6.158 -6.242 -0.132 1.00 10.00 C ATOM 122 O GLN A 84 -6.899 -5.316 0.207 1.00 10.00 O ATOM 123 CB GLN A 84 -6.410 -7.270 -2.438 1.00 10.00 C ATOM 124 CG GLN A 84 -7.881 -6.843 -2.587 1.00 10.00 C ATOM 125 CD GLN A 84 -8.069 -5.472 -3.239 1.00 10.00 C ATOM 126 OE1 GLN A 84 -8.847 -4.648 -2.746 1.00 10.00 O ATOM 127 NE2 GLN A 84 -7.379 -5.256 -4.353 1.00 10.00 N ATOM 0 H GLN A 84 -3.983 -7.571 -2.095 1.00 10.00 H new ATOM 0 HA GLN A 84 -5.666 -5.307 -1.972 1.00 10.00 H new ATOM 0 HB2 GLN A 84 -5.952 -7.327 -3.426 1.00 10.00 H new ATOM 0 HB3 GLN A 84 -6.370 -8.272 -2.010 1.00 10.00 H new ATOM 0 HG2 GLN A 84 -8.407 -7.591 -3.180 1.00 10.00 H new ATOM 0 HG3 GLN A 84 -8.347 -6.832 -1.602 1.00 10.00 H new ATOM 0 HE21 GLN A 84 -6.751 -5.976 -4.712 1.00 10.00 H new ATOM 0 HE22 GLN A 84 -7.477 -4.371 -4.850 1.00 10.00 H new ATOM 136 N VAL A 85 -5.826 -7.213 0.715 1.00 10.00 N ATOM 137 CA VAL A 85 -6.243 -7.238 2.088 1.00 10.00 C ATOM 138 C VAL A 85 -5.572 -6.081 2.849 1.00 10.00 C ATOM 139 O VAL A 85 -6.208 -5.455 3.693 1.00 10.00 O ATOM 140 CB VAL A 85 -5.905 -8.643 2.597 1.00 10.00 C ATOM 141 CG1 VAL A 85 -6.135 -8.708 4.090 1.00 10.00 C ATOM 142 CG2 VAL A 85 -6.784 -9.707 1.919 1.00 10.00 C ATOM 0 H VAL A 85 -5.250 -8.011 0.448 1.00 10.00 H new ATOM 0 HA VAL A 85 -7.310 -7.072 2.234 1.00 10.00 H new ATOM 0 HB VAL A 85 -4.860 -8.844 2.360 1.00 10.00 H new ATOM 0 HG11 VAL A 85 -5.895 -9.708 4.452 1.00 10.00 H new ATOM 0 HG12 VAL A 85 -5.497 -7.978 4.589 1.00 10.00 H new ATOM 0 HG13 VAL A 85 -7.180 -8.485 4.307 1.00 10.00 H new ATOM 0 HG21 VAL A 85 -6.521 -10.693 2.301 1.00 10.00 H new ATOM 0 HG22 VAL A 85 -7.833 -9.503 2.134 1.00 10.00 H new ATOM 0 HG23 VAL A 85 -6.622 -9.680 0.841 1.00 10.00 H new ATOM 152 N ALA A 86 -4.313 -5.761 2.519 1.00 10.00 N ATOM 153 CA ALA A 86 -3.579 -4.621 3.050 1.00 10.00 C ATOM 154 C ALA A 86 -4.418 -3.373 2.797 1.00 10.00 C ATOM 155 O ALA A 86 -4.868 -2.689 3.716 1.00 10.00 O ATOM 156 CB ALA A 86 -2.176 -4.501 2.407 1.00 10.00 C ATOM 0 H ALA A 86 -3.767 -6.310 1.854 1.00 10.00 H new ATOM 0 HA ALA A 86 -3.412 -4.749 4.119 1.00 10.00 H new ATOM 0 HB1 ALA A 86 -1.656 -3.640 2.826 1.00 10.00 H new ATOM 0 HB2 ALA A 86 -1.603 -5.406 2.612 1.00 10.00 H new ATOM 0 HB3 ALA A 86 -2.279 -4.373 1.329 1.00 10.00 H new ATOM 162 N PHE A 87 -4.678 -3.125 1.517 1.00 10.00 N ATOM 163 CA PHE A 87 -5.515 -2.041 1.054 1.00 10.00 C ATOM 164 C PHE A 87 -6.823 -1.940 1.823 1.00 10.00 C ATOM 165 O PHE A 87 -7.185 -0.850 2.254 1.00 10.00 O ATOM 166 CB PHE A 87 -5.778 -2.230 -0.442 1.00 10.00 C ATOM 167 CG PHE A 87 -4.634 -1.829 -1.347 1.00 10.00 C ATOM 168 CD1 PHE A 87 -3.795 -0.773 -0.962 1.00 10.00 C ATOM 169 CD2 PHE A 87 -4.184 -2.719 -2.338 1.00 10.00 C ATOM 170 CE1 PHE A 87 -2.417 -0.904 -1.157 1.00 10.00 C ATOM 171 CE2 PHE A 87 -2.807 -2.811 -2.593 1.00 10.00 C ATOM 172 CZ PHE A 87 -1.916 -2.011 -1.856 1.00 10.00 C ATOM 0 H PHE A 87 -4.299 -3.692 0.759 1.00 10.00 H new ATOM 0 HA PHE A 87 -4.988 -1.103 1.230 1.00 10.00 H new ATOM 0 HB2 PHE A 87 -6.016 -3.278 -0.624 1.00 10.00 H new ATOM 0 HB3 PHE A 87 -6.659 -1.651 -0.717 1.00 10.00 H new ATOM 0 HD1 PHE A 87 -4.206 0.124 -0.523 1.00 10.00 H new ATOM 0 HD2 PHE A 87 -4.887 -3.322 -2.894 1.00 10.00 H new ATOM 0 HE1 PHE A 87 -1.741 -0.155 -0.771 1.00 10.00 H new ATOM 0 HE2 PHE A 87 -2.436 -3.489 -3.347 1.00 10.00 H new ATOM 0 HZ PHE A 87 -0.862 -2.246 -1.829 1.00 10.00 H new ATOM 182 N ARG A 88 -7.529 -3.061 1.991 1.00 10.00 N ATOM 183 CA ARG A 88 -8.810 -3.070 2.683 1.00 10.00 C ATOM 184 C ARG A 88 -8.761 -2.391 4.061 1.00 10.00 C ATOM 185 O ARG A 88 -9.782 -1.885 4.514 1.00 10.00 O ATOM 186 CB ARG A 88 -9.332 -4.514 2.776 1.00 10.00 C ATOM 187 CG ARG A 88 -10.827 -4.599 3.122 1.00 10.00 C ATOM 188 CD ARG A 88 -11.771 -4.080 2.024 1.00 10.00 C ATOM 189 NE ARG A 88 -11.845 -4.991 0.866 1.00 10.00 N ATOM 190 CZ ARG A 88 -11.121 -4.929 -0.267 1.00 10.00 C ATOM 191 NH1 ARG A 88 -10.156 -4.022 -0.428 1.00 10.00 N ATOM 192 NH2 ARG A 88 -11.360 -5.797 -1.256 1.00 10.00 N ATOM 0 H ARG A 88 -7.229 -3.976 1.654 1.00 10.00 H new ATOM 0 HA ARG A 88 -9.507 -2.472 2.096 1.00 10.00 H new ATOM 0 HB2 ARG A 88 -9.157 -5.018 1.826 1.00 10.00 H new ATOM 0 HB3 ARG A 88 -8.760 -5.052 3.532 1.00 10.00 H new ATOM 0 HG2 ARG A 88 -11.078 -5.638 3.337 1.00 10.00 H new ATOM 0 HG3 ARG A 88 -11.008 -4.032 4.035 1.00 10.00 H new ATOM 0 HD2 ARG A 88 -12.769 -3.946 2.441 1.00 10.00 H new ATOM 0 HD3 ARG A 88 -11.431 -3.100 1.690 1.00 10.00 H new ATOM 0 HE ARG A 88 -12.520 -5.753 0.931 1.00 10.00 H new ATOM 0 HH11 ARG A 88 -9.953 -3.355 0.317 1.00 10.00 H new ATOM 0 HH12 ARG A 88 -9.621 -3.995 -1.296 1.00 10.00 H new ATOM 0 HH21 ARG A 88 -12.089 -6.503 -1.150 1.00 10.00 H new ATOM 0 HH22 ARG A 88 -10.814 -5.753 -2.116 1.00 10.00 H new ATOM 206 N ALA A 89 -7.614 -2.374 4.750 1.00 10.00 N ATOM 207 CA ALA A 89 -7.537 -1.737 6.060 1.00 10.00 C ATOM 208 C ALA A 89 -7.800 -0.223 5.978 1.00 10.00 C ATOM 209 O ALA A 89 -8.623 0.303 6.723 1.00 10.00 O ATOM 210 CB ALA A 89 -6.190 -2.057 6.709 1.00 10.00 C ATOM 0 H ALA A 89 -6.741 -2.789 4.424 1.00 10.00 H new ATOM 0 HA ALA A 89 -8.326 -2.143 6.693 1.00 10.00 H new ATOM 0 HB1 ALA A 89 -6.135 -1.580 7.687 1.00 10.00 H new ATOM 0 HB2 ALA A 89 -6.089 -3.136 6.825 1.00 10.00 H new ATOM 0 HB3 ALA A 89 -5.384 -1.683 6.077 1.00 10.00 H new ATOM 216 N PHE A 90 -7.089 0.481 5.089 1.00 10.00 N ATOM 217 CA PHE A 90 -7.130 1.940 4.953 1.00 10.00 C ATOM 218 C PHE A 90 -7.694 2.360 3.600 1.00 10.00 C ATOM 219 O PHE A 90 -7.299 3.376 3.019 1.00 10.00 O ATOM 220 CB PHE A 90 -5.752 2.468 5.270 1.00 10.00 C ATOM 221 CG PHE A 90 -5.365 1.978 6.653 1.00 10.00 C ATOM 222 CD1 PHE A 90 -5.972 2.517 7.801 1.00 10.00 C ATOM 223 CD2 PHE A 90 -4.490 0.890 6.773 1.00 10.00 C ATOM 224 CE1 PHE A 90 -5.625 2.028 9.071 1.00 10.00 C ATOM 225 CE2 PHE A 90 -4.135 0.410 8.038 1.00 10.00 C ATOM 226 CZ PHE A 90 -4.694 0.982 9.193 1.00 10.00 C ATOM 0 H PHE A 90 -6.452 0.038 4.427 1.00 10.00 H new ATOM 0 HA PHE A 90 -7.824 2.390 5.663 1.00 10.00 H new ATOM 0 HB2 PHE A 90 -5.032 2.122 4.528 1.00 10.00 H new ATOM 0 HB3 PHE A 90 -5.745 3.557 5.237 1.00 10.00 H new ATOM 0 HD1 PHE A 90 -6.704 3.306 7.706 1.00 10.00 H new ATOM 0 HD2 PHE A 90 -4.089 0.421 5.887 1.00 10.00 H new ATOM 0 HE1 PHE A 90 -6.074 2.456 9.955 1.00 10.00 H new ATOM 0 HE2 PHE A 90 -3.429 -0.403 8.127 1.00 10.00 H new ATOM 0 HZ PHE A 90 -4.410 0.620 10.170 1.00 10.00 H new ATOM 236 N ASP A 91 -8.687 1.597 3.141 1.00 10.00 N ATOM 237 CA ASP A 91 -9.468 1.886 1.956 1.00 10.00 C ATOM 238 C ASP A 91 -10.239 3.198 2.069 1.00 10.00 C ATOM 239 O ASP A 91 -10.597 3.814 1.073 1.00 10.00 O ATOM 240 CB ASP A 91 -10.330 0.666 1.605 1.00 10.00 C ATOM 241 CG ASP A 91 -11.431 0.364 2.613 1.00 10.00 C ATOM 242 OD1 ASP A 91 -11.454 1.045 3.662 1.00 10.00 O ATOM 243 OD2 ASP A 91 -12.211 -0.565 2.312 1.00 10.00 O ATOM 0 H ASP A 91 -8.972 0.735 3.605 1.00 10.00 H new ATOM 0 HA ASP A 91 -8.798 2.057 1.114 1.00 10.00 H new ATOM 0 HB2 ASP A 91 -10.783 0.826 0.627 1.00 10.00 H new ATOM 0 HB3 ASP A 91 -9.684 -0.208 1.518 1.00 10.00 H new ATOM 296 N GLY A 96 -10.099 7.437 -3.016 1.00 10.00 N ATOM 297 CA GLY A 96 -9.292 7.600 -4.220 1.00 10.00 C ATOM 298 C GLY A 96 -7.769 7.591 -4.045 1.00 10.00 C ATOM 299 O GLY A 96 -7.076 7.663 -5.059 1.00 10.00 O ATOM 0 HA2 GLY A 96 -9.557 6.804 -4.916 1.00 10.00 H new ATOM 0 HA3 GLY A 96 -9.573 8.542 -4.691 1.00 10.00 H new ATOM 303 N HIS A 97 -7.193 7.502 -2.836 1.00 10.00 N ATOM 304 CA HIS A 97 -5.737 7.527 -2.704 1.00 10.00 C ATOM 305 C HIS A 97 -5.310 7.029 -1.331 1.00 10.00 C ATOM 306 O HIS A 97 -5.801 7.561 -0.349 1.00 10.00 O ATOM 307 CB HIS A 97 -5.229 8.966 -2.920 1.00 10.00 C ATOM 308 CG HIS A 97 -4.470 9.150 -4.204 1.00 10.00 C ATOM 309 ND1 HIS A 97 -4.925 9.707 -5.376 1.00 10.00 N ATOM 310 CD2 HIS A 97 -3.180 8.761 -4.407 1.00 10.00 C ATOM 311 CE1 HIS A 97 -3.911 9.661 -6.261 1.00 10.00 C ATOM 312 NE2 HIS A 97 -2.824 9.087 -5.713 1.00 10.00 N ATOM 0 H HIS A 97 -7.703 7.414 -1.957 1.00 10.00 H new ATOM 0 HA HIS A 97 -5.305 6.867 -3.456 1.00 10.00 H new ATOM 0 HB2 HIS A 97 -6.079 9.648 -2.909 1.00 10.00 H new ATOM 0 HB3 HIS A 97 -4.586 9.245 -2.085 1.00 10.00 H new ATOM 0 HD1 HIS A 97 -5.857 10.085 -5.544 1.00 10.00 H new ATOM 0 HD2 HIS A 97 -2.542 8.282 -3.679 1.00 10.00 H new ATOM 0 HE1 HIS A 97 -3.963 10.034 -7.273 1.00 10.00 H new ATOM 320 N ILE A 98 -4.397 6.057 -1.222 1.00 10.00 N ATOM 321 CA ILE A 98 -3.970 5.647 0.115 1.00 10.00 C ATOM 322 C ILE A 98 -3.082 6.695 0.768 1.00 10.00 C ATOM 323 O ILE A 98 -2.614 7.655 0.151 1.00 10.00 O ATOM 324 CB ILE A 98 -3.205 4.310 0.156 1.00 10.00 C ATOM 325 CG1 ILE A 98 -1.882 4.404 -0.611 1.00 10.00 C ATOM 326 CG2 ILE A 98 -4.041 3.152 -0.351 1.00 10.00 C ATOM 327 CD1 ILE A 98 -0.995 3.197 -0.336 1.00 10.00 C ATOM 0 H ILE A 98 -3.960 5.563 -2.000 1.00 10.00 H new ATOM 0 HA ILE A 98 -4.906 5.526 0.660 1.00 10.00 H new ATOM 0 HB ILE A 98 -2.981 4.109 1.204 1.00 10.00 H new ATOM 0 HG12 ILE A 98 -2.083 4.474 -1.680 1.00 10.00 H new ATOM 0 HG13 ILE A 98 -1.358 5.316 -0.325 1.00 10.00 H new ATOM 0 HG21 ILE A 98 -3.457 2.233 -0.302 1.00 10.00 H new ATOM 0 HG22 ILE A 98 -4.933 3.049 0.267 1.00 10.00 H new ATOM 0 HG23 ILE A 98 -4.335 3.340 -1.384 1.00 10.00 H new ATOM 0 HD11 ILE A 98 -0.064 3.294 -0.895 1.00 10.00 H new ATOM 0 HD12 ILE A 98 -0.774 3.143 0.730 1.00 10.00 H new ATOM 0 HD13 ILE A 98 -1.511 2.288 -0.646 1.00 10.00 H new ATOM 339 N THR A 99 -2.767 6.364 2.013 1.00 10.00 N ATOM 340 CA THR A 99 -1.706 6.822 2.866 1.00 10.00 C ATOM 341 C THR A 99 -0.749 5.628 2.998 1.00 10.00 C ATOM 342 O THR A 99 -1.088 4.566 3.518 1.00 10.00 O ATOM 343 CB THR A 99 -2.413 7.370 4.109 1.00 10.00 C ATOM 344 OG1 THR A 99 -2.729 8.730 3.874 1.00 10.00 O ATOM 345 CG2 THR A 99 -1.625 7.203 5.381 1.00 10.00 C ATOM 0 H THR A 99 -3.335 5.673 2.503 1.00 10.00 H new ATOM 0 HA THR A 99 -1.067 7.639 2.530 1.00 10.00 H new ATOM 0 HB THR A 99 -3.319 6.785 4.267 1.00 10.00 H new ATOM 0 HG1 THR A 99 -3.185 9.100 4.659 1.00 10.00 H new ATOM 0 HG21 THR A 99 -2.191 7.615 6.216 1.00 10.00 H new ATOM 0 HG22 THR A 99 -1.438 6.144 5.557 1.00 10.00 H new ATOM 0 HG23 THR A 99 -0.675 7.729 5.292 1.00 10.00 H new ATOM 353 N VAL A 100 0.447 5.794 2.421 1.00 10.00 N ATOM 354 CA VAL A 100 1.504 4.792 2.380 1.00 10.00 C ATOM 355 C VAL A 100 1.781 4.186 3.764 1.00 10.00 C ATOM 356 O VAL A 100 2.107 3.006 3.896 1.00 10.00 O ATOM 357 CB VAL A 100 2.781 5.356 1.753 1.00 10.00 C ATOM 358 CG1 VAL A 100 2.629 5.592 0.244 1.00 10.00 C ATOM 359 CG2 VAL A 100 3.190 6.651 2.431 1.00 10.00 C ATOM 0 H VAL A 100 0.709 6.663 1.955 1.00 10.00 H new ATOM 0 HA VAL A 100 1.149 3.981 1.744 1.00 10.00 H new ATOM 0 HB VAL A 100 3.559 4.608 1.902 1.00 10.00 H new ATOM 0 HG11 VAL A 100 3.560 5.993 -0.157 1.00 10.00 H new ATOM 0 HG12 VAL A 100 2.397 4.649 -0.250 1.00 10.00 H new ATOM 0 HG13 VAL A 100 1.822 6.303 0.066 1.00 10.00 H new ATOM 0 HG21 VAL A 100 4.100 7.032 1.968 1.00 10.00 H new ATOM 0 HG22 VAL A 100 2.392 7.386 2.323 1.00 10.00 H new ATOM 0 HG23 VAL A 100 3.372 6.466 3.490 1.00 10.00 H new ATOM 369 N ASP A 101 1.675 5.016 4.803 1.00 10.00 N ATOM 370 CA ASP A 101 2.015 4.570 6.155 1.00 10.00 C ATOM 371 C ASP A 101 0.963 3.583 6.662 1.00 10.00 C ATOM 372 O ASP A 101 1.276 2.487 7.116 1.00 10.00 O ATOM 373 CB ASP A 101 2.242 5.746 7.114 1.00 10.00 C ATOM 374 CG ASP A 101 3.394 5.420 8.053 1.00 10.00 C ATOM 375 OD1 ASP A 101 3.312 4.420 8.797 1.00 10.00 O ATOM 376 OD2 ASP A 101 4.459 6.049 7.883 1.00 10.00 O ATOM 0 H ASP A 101 1.362 5.985 4.737 1.00 10.00 H new ATOM 0 HA ASP A 101 2.969 4.044 6.114 1.00 10.00 H new ATOM 0 HB2 ASP A 101 2.464 6.652 6.550 1.00 10.00 H new ATOM 0 HB3 ASP A 101 1.336 5.942 7.687 1.00 10.00 H new ATOM 381 N GLU A 102 -0.304 3.938 6.478 1.00 10.00 N ATOM 382 CA GLU A 102 -1.449 3.065 6.668 1.00 10.00 C ATOM 383 C GLU A 102 -1.228 1.756 5.919 1.00 10.00 C ATOM 384 O GLU A 102 -1.447 0.683 6.471 1.00 10.00 O ATOM 385 CB GLU A 102 -2.728 3.772 6.216 1.00 10.00 C ATOM 386 CG GLU A 102 -3.473 4.485 7.363 1.00 10.00 C ATOM 387 CD GLU A 102 -2.815 5.733 7.936 1.00 10.00 C ATOM 388 OE1 GLU A 102 -1.576 5.731 8.097 1.00 10.00 O ATOM 389 OE2 GLU A 102 -3.575 6.687 8.204 1.00 10.00 O ATOM 0 H GLU A 102 -0.568 4.878 6.181 1.00 10.00 H new ATOM 0 HA GLU A 102 -1.561 2.829 7.726 1.00 10.00 H new ATOM 0 HB2 GLU A 102 -2.478 4.502 5.446 1.00 10.00 H new ATOM 0 HB3 GLU A 102 -3.395 3.042 5.758 1.00 10.00 H new ATOM 0 HG2 GLU A 102 -4.466 4.758 7.006 1.00 10.00 H new ATOM 0 HG3 GLU A 102 -3.611 3.771 8.174 1.00 10.00 H new ATOM 396 N LEU A 103 -0.756 1.827 4.674 1.00 10.00 N ATOM 397 CA LEU A 103 -0.368 0.630 3.939 1.00 10.00 C ATOM 398 C LEU A 103 0.559 -0.255 4.788 1.00 10.00 C ATOM 399 O LEU A 103 0.263 -1.420 5.045 1.00 10.00 O ATOM 400 CB LEU A 103 0.322 1.032 2.631 1.00 10.00 C ATOM 401 CG LEU A 103 -0.244 0.347 1.388 1.00 10.00 C ATOM 402 CD1 LEU A 103 0.767 0.614 0.259 1.00 10.00 C ATOM 403 CD2 LEU A 103 -0.344 -1.174 1.565 1.00 10.00 C ATOM 0 H LEU A 103 -0.635 2.698 4.158 1.00 10.00 H new ATOM 0 HA LEU A 103 -1.263 0.052 3.708 1.00 10.00 H new ATOM 0 HB2 LEU A 103 0.239 2.112 2.507 1.00 10.00 H new ATOM 0 HB3 LEU A 103 1.384 0.801 2.708 1.00 10.00 H new ATOM 0 HG LEU A 103 -1.244 0.731 1.185 1.00 10.00 H new ATOM 0 HD11 LEU A 103 0.416 0.147 -0.661 1.00 10.00 H new ATOM 0 HD12 LEU A 103 0.866 1.689 0.106 1.00 10.00 H new ATOM 0 HD13 LEU A 103 1.736 0.196 0.532 1.00 10.00 H new ATOM 0 HD21 LEU A 103 -0.751 -1.620 0.658 1.00 10.00 H new ATOM 0 HD22 LEU A 103 0.648 -1.584 1.757 1.00 10.00 H new ATOM 0 HD23 LEU A 103 -0.999 -1.400 2.406 1.00 10.00 H new ATOM 415 N ARG A 104 1.669 0.320 5.257 1.00 10.00 N ATOM 416 CA ARG A 104 2.634 -0.356 6.122 1.00 10.00 C ATOM 417 C ARG A 104 1.942 -0.970 7.342 1.00 10.00 C ATOM 418 O ARG A 104 2.151 -2.135 7.675 1.00 10.00 O ATOM 419 CB ARG A 104 3.716 0.650 6.537 1.00 10.00 C ATOM 420 CG ARG A 104 4.975 -0.013 7.123 1.00 10.00 C ATOM 421 CD ARG A 104 6.318 0.669 6.779 1.00 10.00 C ATOM 422 NE ARG A 104 6.206 2.046 6.249 1.00 10.00 N ATOM 423 CZ ARG A 104 5.830 3.108 6.980 1.00 10.00 C ATOM 424 NH1 ARG A 104 5.421 2.936 8.239 1.00 10.00 N ATOM 425 NH2 ARG A 104 5.834 4.328 6.441 1.00 10.00 N ATOM 0 H ARG A 104 1.925 1.284 5.042 1.00 10.00 H new ATOM 0 HA ARG A 104 3.100 -1.177 5.578 1.00 10.00 H new ATOM 0 HB2 ARG A 104 3.999 1.246 5.670 1.00 10.00 H new ATOM 0 HB3 ARG A 104 3.300 1.337 7.274 1.00 10.00 H new ATOM 0 HG2 ARG A 104 4.874 -0.046 8.208 1.00 10.00 H new ATOM 0 HG3 ARG A 104 5.014 -1.045 6.775 1.00 10.00 H new ATOM 0 HD2 ARG A 104 6.937 0.691 7.676 1.00 10.00 H new ATOM 0 HD3 ARG A 104 6.842 0.056 6.046 1.00 10.00 H new ATOM 0 HE ARG A 104 6.429 2.198 5.265 1.00 10.00 H new ATOM 0 HH11 ARG A 104 5.395 2.000 8.643 1.00 10.00 H new ATOM 0 HH12 ARG A 104 5.135 3.741 8.797 1.00 10.00 H new ATOM 0 HH21 ARG A 104 6.123 4.456 5.471 1.00 10.00 H new ATOM 0 HH22 ARG A 104 5.548 5.133 6.999 1.00 10.00 H new ATOM 439 N ARG A 105 1.109 -0.167 8.007 1.00 10.00 N ATOM 440 CA ARG A 105 0.324 -0.576 9.158 1.00 10.00 C ATOM 441 C ARG A 105 -0.525 -1.803 8.809 1.00 10.00 C ATOM 442 O ARG A 105 -0.593 -2.754 9.584 1.00 10.00 O ATOM 443 CB ARG A 105 -0.544 0.608 9.616 1.00 10.00 C ATOM 444 CG ARG A 105 -1.070 0.455 11.047 1.00 10.00 C ATOM 445 CD ARG A 105 0.032 0.727 12.086 1.00 10.00 C ATOM 446 NE ARG A 105 0.275 -0.426 12.969 1.00 10.00 N ATOM 447 CZ ARG A 105 -0.539 -0.819 13.962 1.00 10.00 C ATOM 448 NH1 ARG A 105 -1.722 -0.217 14.124 1.00 10.00 N ATOM 449 NH2 ARG A 105 -0.166 -1.806 14.784 1.00 10.00 N ATOM 0 H ARG A 105 0.963 0.809 7.748 1.00 10.00 H new ATOM 0 HA ARG A 105 0.981 -0.861 9.980 1.00 10.00 H new ATOM 0 HB2 ARG A 105 0.040 1.526 9.547 1.00 10.00 H new ATOM 0 HB3 ARG A 105 -1.388 0.715 8.935 1.00 10.00 H new ATOM 0 HG2 ARG A 105 -1.899 1.144 11.206 1.00 10.00 H new ATOM 0 HG3 ARG A 105 -1.461 -0.553 11.186 1.00 10.00 H new ATOM 0 HD2 ARG A 105 0.957 0.986 11.570 1.00 10.00 H new ATOM 0 HD3 ARG A 105 -0.248 1.590 12.690 1.00 10.00 H new ATOM 0 HE ARG A 105 1.126 -0.967 12.815 1.00 10.00 H new ATOM 0 HH11 ARG A 105 -2.001 0.536 13.495 1.00 10.00 H new ATOM 0 HH12 ARG A 105 -2.345 -0.511 14.876 1.00 10.00 H new ATOM 0 HH21 ARG A 105 0.738 -2.261 14.657 1.00 10.00 H new ATOM 0 HH22 ARG A 105 -0.785 -2.103 15.538 1.00 10.00 H new ATOM 463 N ALA A 106 -1.174 -1.790 7.643 1.00 10.00 N ATOM 464 CA ALA A 106 -2.101 -2.825 7.216 1.00 10.00 C ATOM 465 C ALA A 106 -1.448 -4.201 7.256 1.00 10.00 C ATOM 466 O ALA A 106 -2.008 -5.158 7.795 1.00 10.00 O ATOM 467 CB ALA A 106 -2.581 -2.513 5.803 1.00 10.00 C ATOM 0 H ALA A 106 -1.063 -1.041 6.959 1.00 10.00 H new ATOM 0 HA ALA A 106 -2.949 -2.840 7.901 1.00 10.00 H new ATOM 0 HB1 ALA A 106 -3.277 -3.286 5.476 1.00 10.00 H new ATOM 0 HB2 ALA A 106 -3.083 -1.545 5.795 1.00 10.00 H new ATOM 0 HB3 ALA A 106 -1.727 -2.485 5.127 1.00 10.00 H new ATOM 473 N MET A 107 -0.237 -4.293 6.706 1.00 10.00 N ATOM 474 CA MET A 107 0.522 -5.533 6.700 1.00 10.00 C ATOM 475 C MET A 107 0.741 -6.106 8.109 1.00 10.00 C ATOM 476 O MET A 107 0.841 -7.323 8.278 1.00 10.00 O ATOM 477 CB MET A 107 1.819 -5.331 5.926 1.00 10.00 C ATOM 478 CG MET A 107 1.498 -5.180 4.438 1.00 10.00 C ATOM 479 SD MET A 107 2.192 -3.721 3.646 1.00 10.00 S ATOM 480 CE MET A 107 1.665 -4.124 1.979 1.00 10.00 C ATOM 0 H MET A 107 0.239 -3.511 6.256 1.00 10.00 H new ATOM 0 HA MET A 107 -0.064 -6.295 6.186 1.00 10.00 H new ATOM 0 HB2 MET A 107 2.339 -4.445 6.290 1.00 10.00 H new ATOM 0 HB3 MET A 107 2.486 -6.179 6.082 1.00 10.00 H new ATOM 0 HG2 MET A 107 1.860 -6.065 3.914 1.00 10.00 H new ATOM 0 HG3 MET A 107 0.415 -5.158 4.317 1.00 10.00 H new ATOM 0 HE1 MET A 107 2.052 -3.378 1.285 1.00 10.00 H new ATOM 0 HE2 MET A 107 2.046 -5.108 1.705 1.00 10.00 H new ATOM 0 HE3 MET A 107 0.576 -4.131 1.933 1.00 10.00 H new ATOM 490 N ALA A 108 0.768 -5.252 9.138 1.00 10.00 N ATOM 491 CA ALA A 108 0.811 -5.717 10.517 1.00 10.00 C ATOM 492 C ALA A 108 -0.457 -6.498 10.866 1.00 10.00 C ATOM 493 O ALA A 108 -0.392 -7.504 11.565 1.00 10.00 O ATOM 494 CB ALA A 108 0.995 -4.536 11.471 1.00 10.00 C ATOM 0 H ALA A 108 0.761 -4.237 9.036 1.00 10.00 H new ATOM 0 HA ALA A 108 1.663 -6.388 10.627 1.00 10.00 H new ATOM 0 HB1 ALA A 108 1.025 -4.899 12.498 1.00 10.00 H new ATOM 0 HB2 ALA A 108 1.929 -4.024 11.240 1.00 10.00 H new ATOM 0 HB3 ALA A 108 0.162 -3.842 11.356 1.00 10.00 H new ATOM 500 N GLY A 109 -1.610 -6.032 10.375 1.00 10.00 N ATOM 501 CA GLY A 109 -2.883 -6.713 10.544 1.00 10.00 C ATOM 502 C GLY A 109 -2.844 -8.087 9.881 1.00 10.00 C ATOM 503 O GLY A 109 -3.291 -9.070 10.467 1.00 10.00 O ATOM 0 H GLY A 109 -1.679 -5.163 9.845 1.00 10.00 H new ATOM 0 HA2 GLY A 109 -3.107 -6.821 11.605 1.00 10.00 H new ATOM 0 HA3 GLY A 109 -3.683 -6.115 10.108 1.00 10.00 H new ATOM 507 N LEU A 110 -2.303 -8.154 8.661 1.00 10.00 N ATOM 508 CA LEU A 110 -2.108 -9.417 7.955 1.00 10.00 C ATOM 509 C LEU A 110 -1.227 -10.373 8.754 1.00 10.00 C ATOM 510 O LEU A 110 -1.607 -11.521 8.976 1.00 10.00 O ATOM 511 CB LEU A 110 -1.511 -9.161 6.568 1.00 10.00 C ATOM 512 CG LEU A 110 -2.631 -8.947 5.544 1.00 10.00 C ATOM 513 CD1 LEU A 110 -2.183 -7.981 4.451 1.00 10.00 C ATOM 514 CD2 LEU A 110 -3.026 -10.296 4.931 1.00 10.00 C ATOM 0 H LEU A 110 -1.990 -7.335 8.139 1.00 10.00 H new ATOM 0 HA LEU A 110 -3.082 -9.891 7.836 1.00 10.00 H new ATOM 0 HB2 LEU A 110 -0.863 -8.285 6.598 1.00 10.00 H new ATOM 0 HB3 LEU A 110 -0.891 -10.006 6.269 1.00 10.00 H new ATOM 0 HG LEU A 110 -3.494 -8.512 6.048 1.00 10.00 H new ATOM 0 HD11 LEU A 110 -2.992 -7.842 3.734 1.00 10.00 H new ATOM 0 HD12 LEU A 110 -1.925 -7.021 4.897 1.00 10.00 H new ATOM 0 HD13 LEU A 110 -1.311 -8.389 3.940 1.00 10.00 H new ATOM 0 HD21 LEU A 110 -3.823 -10.145 4.202 1.00 10.00 H new ATOM 0 HD22 LEU A 110 -2.161 -10.738 4.437 1.00 10.00 H new ATOM 0 HD23 LEU A 110 -3.376 -10.965 5.718 1.00 10.00 H new ATOM 526 N GLY A 111 -0.046 -9.913 9.171 1.00 10.00 N ATOM 527 CA GLY A 111 0.828 -10.687 10.025 1.00 10.00 C ATOM 528 C GLY A 111 2.290 -10.305 9.845 1.00 10.00 C ATOM 529 O GLY A 111 3.000 -10.119 10.829 1.00 10.00 O ATOM 0 H GLY A 111 0.322 -8.995 8.922 1.00 10.00 H new ATOM 0 HA2 GLY A 111 0.541 -10.539 11.066 1.00 10.00 H new ATOM 0 HA3 GLY A 111 0.701 -11.747 9.807 1.00 10.00 H new ATOM 533 N GLN A 112 2.745 -10.199 8.593 1.00 10.00 N ATOM 534 CA GLN A 112 4.116 -9.824 8.269 1.00 10.00 C ATOM 535 C GLN A 112 4.176 -8.347 7.849 1.00 10.00 C ATOM 536 O GLN A 112 4.087 -8.065 6.655 1.00 10.00 O ATOM 537 CB GLN A 112 4.701 -10.780 7.213 1.00 10.00 C ATOM 538 CG GLN A 112 3.895 -10.932 5.909 1.00 10.00 C ATOM 539 CD GLN A 112 4.771 -10.685 4.683 1.00 10.00 C ATOM 540 OE1 GLN A 112 5.087 -11.601 3.930 1.00 10.00 O ATOM 541 NE2 GLN A 112 5.188 -9.439 4.496 1.00 10.00 N ATOM 0 H GLN A 112 2.164 -10.373 7.773 1.00 10.00 H new ATOM 0 HA GLN A 112 4.743 -9.924 9.155 1.00 10.00 H new ATOM 0 HB2 GLN A 112 5.703 -10.436 6.958 1.00 10.00 H new ATOM 0 HB3 GLN A 112 4.808 -11.766 7.666 1.00 10.00 H new ATOM 0 HG2 GLN A 112 3.468 -11.934 5.858 1.00 10.00 H new ATOM 0 HG3 GLN A 112 3.061 -10.230 5.910 1.00 10.00 H new ATOM 0 HE21 GLN A 112 4.904 -8.704 5.143 1.00 10.00 H new ATOM 0 HE22 GLN A 112 5.792 -9.217 3.705 1.00 10.00 H new ATOM 550 N PRO A 113 4.334 -7.387 8.780 1.00 10.00 N ATOM 551 CA PRO A 113 4.451 -5.984 8.418 1.00 10.00 C ATOM 552 C PRO A 113 5.665 -5.787 7.511 1.00 10.00 C ATOM 553 O PRO A 113 6.792 -6.026 7.943 1.00 10.00 O ATOM 554 CB PRO A 113 4.576 -5.210 9.733 1.00 10.00 C ATOM 555 CG PRO A 113 5.120 -6.245 10.714 1.00 10.00 C ATOM 556 CD PRO A 113 4.511 -7.555 10.215 1.00 10.00 C ATOM 0 HA PRO A 113 3.587 -5.625 7.859 1.00 10.00 H new ATOM 0 HB2 PRO A 113 5.250 -4.359 9.634 1.00 10.00 H new ATOM 0 HB3 PRO A 113 3.613 -4.817 10.059 1.00 10.00 H new ATOM 0 HG2 PRO A 113 6.209 -6.277 10.702 1.00 10.00 H new ATOM 0 HG3 PRO A 113 4.819 -6.026 11.738 1.00 10.00 H new ATOM 0 HD2 PRO A 113 5.166 -8.399 10.432 1.00 10.00 H new ATOM 0 HD3 PRO A 113 3.559 -7.756 10.706 1.00 10.00 H new ATOM 564 N LEU A 114 5.442 -5.371 6.260 1.00 10.00 N ATOM 565 CA LEU A 114 6.523 -5.087 5.322 1.00 10.00 C ATOM 566 C LEU A 114 7.494 -4.102 5.986 1.00 10.00 C ATOM 567 O LEU A 114 7.074 -2.999 6.344 1.00 10.00 O ATOM 568 CB LEU A 114 5.969 -4.492 4.015 1.00 10.00 C ATOM 569 CG LEU A 114 5.942 -5.477 2.838 1.00 10.00 C ATOM 570 CD1 LEU A 114 4.875 -6.550 3.045 1.00 10.00 C ATOM 571 CD2 LEU A 114 5.641 -4.735 1.528 1.00 10.00 C ATOM 0 H LEU A 114 4.509 -5.223 5.874 1.00 10.00 H new ATOM 0 HA LEU A 114 7.042 -6.012 5.071 1.00 10.00 H new ATOM 0 HB2 LEU A 114 4.957 -4.129 4.194 1.00 10.00 H new ATOM 0 HB3 LEU A 114 6.573 -3.628 3.738 1.00 10.00 H new ATOM 0 HG LEU A 114 6.923 -5.949 2.783 1.00 10.00 H new ATOM 0 HD11 LEU A 114 4.878 -7.234 2.197 1.00 10.00 H new ATOM 0 HD12 LEU A 114 5.089 -7.104 3.959 1.00 10.00 H new ATOM 0 HD13 LEU A 114 3.896 -6.078 3.128 1.00 10.00 H new ATOM 0 HD21 LEU A 114 5.625 -5.446 0.702 1.00 10.00 H new ATOM 0 HD22 LEU A 114 4.671 -4.244 1.603 1.00 10.00 H new ATOM 0 HD23 LEU A 114 6.413 -3.987 1.348 1.00 10.00 H new ATOM 583 N PRO A 115 8.767 -4.479 6.192 1.00 10.00 N ATOM 584 CA PRO A 115 9.710 -3.630 6.893 1.00 10.00 C ATOM 585 C PRO A 115 10.033 -2.395 6.057 1.00 10.00 C ATOM 586 O PRO A 115 9.713 -2.321 4.866 1.00 10.00 O ATOM 587 CB PRO A 115 10.940 -4.503 7.155 1.00 10.00 C ATOM 588 CG PRO A 115 10.891 -5.522 6.018 1.00 10.00 C ATOM 589 CD PRO A 115 9.390 -5.739 5.820 1.00 10.00 C ATOM 0 HA PRO A 115 9.311 -3.251 7.834 1.00 10.00 H new ATOM 0 HB2 PRO A 115 11.860 -3.919 7.134 1.00 10.00 H new ATOM 0 HB3 PRO A 115 10.891 -4.986 8.131 1.00 10.00 H new ATOM 0 HG2 PRO A 115 11.367 -5.142 5.114 1.00 10.00 H new ATOM 0 HG3 PRO A 115 11.402 -6.448 6.283 1.00 10.00 H new ATOM 0 HD2 PRO A 115 9.163 -5.999 4.786 1.00 10.00 H new ATOM 0 HD3 PRO A 115 9.026 -6.557 6.442 1.00 10.00 H new ATOM 597 N GLN A 116 10.666 -1.413 6.703 1.00 10.00 N ATOM 598 CA GLN A 116 10.835 -0.087 6.140 1.00 10.00 C ATOM 599 C GLN A 116 11.494 -0.121 4.763 1.00 10.00 C ATOM 600 O GLN A 116 11.082 0.650 3.921 1.00 10.00 O ATOM 601 CB GLN A 116 11.572 0.829 7.124 1.00 10.00 C ATOM 602 CG GLN A 116 11.532 2.311 6.706 1.00 10.00 C ATOM 603 CD GLN A 116 10.123 2.906 6.637 1.00 10.00 C ATOM 604 OE1 GLN A 116 9.210 2.474 7.337 1.00 10.00 O ATOM 605 NE2 GLN A 116 9.928 3.919 5.797 1.00 10.00 N ATOM 0 H GLN A 116 11.073 -1.523 7.632 1.00 10.00 H new ATOM 0 HA GLN A 116 9.843 0.336 5.980 1.00 10.00 H new ATOM 0 HB2 GLN A 116 11.128 0.723 8.114 1.00 10.00 H new ATOM 0 HB3 GLN A 116 12.610 0.507 7.205 1.00 10.00 H new ATOM 0 HG2 GLN A 116 12.125 2.892 7.412 1.00 10.00 H new ATOM 0 HG3 GLN A 116 12.006 2.415 5.730 1.00 10.00 H new ATOM 0 HE21 GLN A 116 10.699 4.263 5.225 1.00 10.00 H new ATOM 0 HE22 GLN A 116 9.007 4.352 5.725 1.00 10.00 H new ATOM 614 N GLU A 117 12.468 -0.997 4.506 1.00 10.00 N ATOM 615 CA GLU A 117 13.025 -1.191 3.159 1.00 10.00 C ATOM 616 C GLU A 117 11.953 -1.563 2.138 1.00 10.00 C ATOM 617 O GLU A 117 11.855 -0.946 1.079 1.00 10.00 O ATOM 618 CB GLU A 117 14.115 -2.280 3.181 1.00 10.00 C ATOM 619 CG GLU A 117 15.511 -1.725 2.872 1.00 10.00 C ATOM 620 CD GLU A 117 16.426 -2.823 2.341 1.00 10.00 C ATOM 621 OE1 GLU A 117 16.425 -3.907 2.962 1.00 10.00 O ATOM 622 OE2 GLU A 117 17.091 -2.562 1.315 1.00 10.00 O ATOM 0 H GLU A 117 12.893 -1.590 5.219 1.00 10.00 H new ATOM 0 HA GLU A 117 13.460 -0.239 2.855 1.00 10.00 H new ATOM 0 HB2 GLU A 117 14.127 -2.757 4.161 1.00 10.00 H new ATOM 0 HB3 GLU A 117 13.866 -3.052 2.453 1.00 10.00 H new ATOM 0 HG2 GLU A 117 15.434 -0.923 2.138 1.00 10.00 H new ATOM 0 HG3 GLU A 117 15.942 -1.291 3.774 1.00 10.00 H new ATOM 629 N GLU A 118 11.166 -2.592 2.446 1.00 10.00 N ATOM 630 CA GLU A 118 10.194 -3.136 1.513 1.00 10.00 C ATOM 631 C GLU A 118 9.199 -2.019 1.215 1.00 10.00 C ATOM 632 O GLU A 118 8.971 -1.613 0.075 1.00 10.00 O ATOM 633 CB GLU A 118 9.533 -4.373 2.158 1.00 10.00 C ATOM 634 CG GLU A 118 9.798 -5.679 1.397 1.00 10.00 C ATOM 635 CD GLU A 118 8.857 -5.852 0.212 1.00 10.00 C ATOM 636 OE1 GLU A 118 9.038 -5.109 -0.772 1.00 10.00 O ATOM 637 OE2 GLU A 118 7.967 -6.724 0.321 1.00 10.00 O ATOM 0 H GLU A 118 11.187 -3.068 3.348 1.00 10.00 H new ATOM 0 HA GLU A 118 10.640 -3.467 0.575 1.00 10.00 H new ATOM 0 HB2 GLU A 118 9.897 -4.478 3.180 1.00 10.00 H new ATOM 0 HB3 GLU A 118 8.457 -4.209 2.218 1.00 10.00 H new ATOM 0 HG2 GLU A 118 10.830 -5.690 1.045 1.00 10.00 H new ATOM 0 HG3 GLU A 118 9.684 -6.524 2.076 1.00 10.00 H new ATOM 644 N LEU A 119 8.650 -1.449 2.285 1.00 10.00 N ATOM 645 CA LEU A 119 7.663 -0.406 2.118 1.00 10.00 C ATOM 646 C LEU A 119 8.279 0.900 1.607 1.00 10.00 C ATOM 647 O LEU A 119 7.568 1.658 0.974 1.00 10.00 O ATOM 648 CB LEU A 119 6.863 -0.217 3.400 1.00 10.00 C ATOM 649 CG LEU A 119 5.342 -0.065 3.177 1.00 10.00 C ATOM 650 CD1 LEU A 119 4.919 1.021 2.194 1.00 10.00 C ATOM 651 CD2 LEU A 119 4.651 -1.370 2.789 1.00 10.00 C ATOM 0 H LEU A 119 8.870 -1.690 3.252 1.00 10.00 H new ATOM 0 HA LEU A 119 6.967 -0.724 1.342 1.00 10.00 H new ATOM 0 HB2 LEU A 119 7.040 -1.070 4.055 1.00 10.00 H new ATOM 0 HB3 LEU A 119 7.233 0.667 3.920 1.00 10.00 H new ATOM 0 HG LEU A 119 5.008 0.251 4.166 1.00 10.00 H new ATOM 0 HD11 LEU A 119 3.832 1.038 2.116 1.00 10.00 H new ATOM 0 HD12 LEU A 119 5.272 1.990 2.548 1.00 10.00 H new ATOM 0 HD13 LEU A 119 5.350 0.813 1.215 1.00 10.00 H new ATOM 0 HD21 LEU A 119 3.585 -1.190 2.648 1.00 10.00 H new ATOM 0 HD22 LEU A 119 5.081 -1.747 1.861 1.00 10.00 H new ATOM 0 HD23 LEU A 119 4.793 -2.106 3.580 1.00 10.00 H new ATOM 663 N ASP A 120 9.557 1.199 1.857 1.00 10.00 N ATOM 664 CA ASP A 120 10.263 2.348 1.277 1.00 10.00 C ATOM 665 C ASP A 120 10.273 2.190 -0.234 1.00 10.00 C ATOM 666 O ASP A 120 9.869 3.080 -0.978 1.00 10.00 O ATOM 667 CB ASP A 120 11.710 2.492 1.770 1.00 10.00 C ATOM 668 CG ASP A 120 12.415 3.631 1.039 1.00 10.00 C ATOM 669 OD1 ASP A 120 12.308 4.769 1.543 1.00 10.00 O ATOM 670 OD2 ASP A 120 13.038 3.352 -0.009 1.00 10.00 O ATOM 0 H ASP A 120 10.141 0.640 2.479 1.00 10.00 H new ATOM 0 HA ASP A 120 9.733 3.246 1.592 1.00 10.00 H new ATOM 0 HB2 ASP A 120 11.717 2.682 2.843 1.00 10.00 H new ATOM 0 HB3 ASP A 120 12.250 1.559 1.608 1.00 10.00 H new ATOM 675 N ALA A 121 10.703 1.013 -0.677 1.00 10.00 N ATOM 676 CA ALA A 121 10.741 0.654 -2.078 1.00 10.00 C ATOM 677 C ALA A 121 9.362 0.905 -2.715 1.00 10.00 C ATOM 678 O ALA A 121 9.251 1.625 -3.710 1.00 10.00 O ATOM 679 CB ALA A 121 11.261 -0.786 -2.168 1.00 10.00 C ATOM 0 H ALA A 121 11.039 0.275 -0.058 1.00 10.00 H new ATOM 0 HA ALA A 121 11.424 1.273 -2.659 1.00 10.00 H new ATOM 0 HB1 ALA A 121 11.304 -1.093 -3.213 1.00 10.00 H new ATOM 0 HB2 ALA A 121 12.259 -0.840 -1.733 1.00 10.00 H new ATOM 0 HB3 ALA A 121 10.591 -1.450 -1.622 1.00 10.00 H new ATOM 685 N MET A 122 8.294 0.395 -2.091 1.00 10.00 N ATOM 686 CA MET A 122 6.928 0.653 -2.522 1.00 10.00 C ATOM 687 C MET A 122 6.528 2.132 -2.365 1.00 10.00 C ATOM 688 O MET A 122 5.819 2.666 -3.208 1.00 10.00 O ATOM 689 CB MET A 122 5.979 -0.267 -1.751 1.00 10.00 C ATOM 690 CG MET A 122 5.844 -1.653 -2.394 1.00 10.00 C ATOM 691 SD MET A 122 7.347 -2.659 -2.438 1.00 10.00 S ATOM 692 CE MET A 122 6.665 -4.240 -2.978 1.00 10.00 C ATOM 0 H MET A 122 8.360 -0.209 -1.272 1.00 10.00 H new ATOM 0 HA MET A 122 6.859 0.438 -3.588 1.00 10.00 H new ATOM 0 HB2 MET A 122 6.340 -0.379 -0.728 1.00 10.00 H new ATOM 0 HB3 MET A 122 4.995 0.199 -1.693 1.00 10.00 H new ATOM 0 HG2 MET A 122 5.075 -2.208 -1.856 1.00 10.00 H new ATOM 0 HG3 MET A 122 5.487 -1.524 -3.416 1.00 10.00 H new ATOM 0 HE1 MET A 122 7.467 -4.974 -3.056 1.00 10.00 H new ATOM 0 HE2 MET A 122 5.927 -4.584 -2.254 1.00 10.00 H new ATOM 0 HE3 MET A 122 6.189 -4.118 -3.951 1.00 10.00 H new ATOM 702 N ILE A 123 6.963 2.812 -1.302 1.00 10.00 N ATOM 703 CA ILE A 123 6.703 4.229 -1.047 1.00 10.00 C ATOM 704 C ILE A 123 7.214 5.033 -2.245 1.00 10.00 C ATOM 705 O ILE A 123 6.578 5.980 -2.694 1.00 10.00 O ATOM 706 CB ILE A 123 7.351 4.692 0.280 1.00 10.00 C ATOM 707 CG1 ILE A 123 6.355 4.499 1.429 1.00 10.00 C ATOM 708 CG2 ILE A 123 7.819 6.157 0.272 1.00 10.00 C ATOM 709 CD1 ILE A 123 7.018 4.349 2.803 1.00 10.00 C ATOM 0 H ILE A 123 7.525 2.376 -0.571 1.00 10.00 H new ATOM 0 HA ILE A 123 5.632 4.395 -0.932 1.00 10.00 H new ATOM 0 HB ILE A 123 8.241 4.077 0.412 1.00 10.00 H new ATOM 0 HG12 ILE A 123 5.675 5.350 1.455 1.00 10.00 H new ATOM 0 HG13 ILE A 123 5.751 3.614 1.229 1.00 10.00 H new ATOM 0 HG21 ILE A 123 8.261 6.403 1.237 1.00 10.00 H new ATOM 0 HG22 ILE A 123 8.561 6.297 -0.514 1.00 10.00 H new ATOM 0 HG23 ILE A 123 6.966 6.810 0.086 1.00 10.00 H new ATOM 0 HD11 ILE A 123 6.250 4.216 3.565 1.00 10.00 H new ATOM 0 HD12 ILE A 123 7.676 3.480 2.796 1.00 10.00 H new ATOM 0 HD13 ILE A 123 7.600 5.243 3.026 1.00 10.00 H new ATOM 721 N ARG A 124 8.390 4.652 -2.742 1.00 10.00 N ATOM 722 CA ARG A 124 9.065 5.313 -3.845 1.00 10.00 C ATOM 723 C ARG A 124 8.304 5.078 -5.151 1.00 10.00 C ATOM 724 O ARG A 124 8.099 6.011 -5.920 1.00 10.00 O ATOM 725 CB ARG A 124 10.508 4.797 -3.907 1.00 10.00 C ATOM 726 CG ARG A 124 11.495 5.910 -4.260 1.00 10.00 C ATOM 727 CD ARG A 124 12.911 5.376 -4.029 1.00 10.00 C ATOM 728 NE ARG A 124 13.924 6.378 -4.384 1.00 10.00 N ATOM 729 CZ ARG A 124 15.240 6.217 -4.180 1.00 10.00 C ATOM 730 NH1 ARG A 124 15.686 5.123 -3.552 1.00 10.00 N ATOM 731 NH2 ARG A 124 16.099 7.148 -4.611 1.00 10.00 N ATOM 0 H ARG A 124 8.908 3.854 -2.375 1.00 10.00 H new ATOM 0 HA ARG A 124 9.089 6.392 -3.691 1.00 10.00 H new ATOM 0 HB2 ARG A 124 10.780 4.362 -2.945 1.00 10.00 H new ATOM 0 HB3 ARG A 124 10.578 4.001 -4.648 1.00 10.00 H new ATOM 0 HG2 ARG A 124 11.368 6.217 -5.298 1.00 10.00 H new ATOM 0 HG3 ARG A 124 11.314 6.790 -3.643 1.00 10.00 H new ATOM 0 HD2 ARG A 124 13.029 5.092 -2.983 1.00 10.00 H new ATOM 0 HD3 ARG A 124 13.064 4.475 -4.623 1.00 10.00 H new ATOM 0 HE ARG A 124 13.608 7.249 -4.811 1.00 10.00 H new ATOM 0 HH11 ARG A 124 15.026 4.415 -3.230 1.00 10.00 H new ATOM 0 HH12 ARG A 124 16.686 4.997 -3.395 1.00 10.00 H new ATOM 0 HH21 ARG A 124 15.753 7.977 -5.093 1.00 10.00 H new ATOM 0 HH22 ARG A 124 17.100 7.028 -4.457 1.00 10.00 H new ATOM 745 N GLU A 125 7.888 3.830 -5.394 1.00 10.00 N ATOM 746 CA GLU A 125 6.980 3.487 -6.487 1.00 10.00 C ATOM 747 C GLU A 125 5.682 4.299 -6.385 1.00 10.00 C ATOM 748 O GLU A 125 5.163 4.783 -7.388 1.00 10.00 O ATOM 749 CB GLU A 125 6.775 1.960 -6.480 1.00 10.00 C ATOM 750 CG GLU A 125 5.560 1.433 -7.261 1.00 10.00 C ATOM 751 CD GLU A 125 4.376 1.164 -6.332 1.00 10.00 C ATOM 752 OE1 GLU A 125 4.479 0.176 -5.571 1.00 10.00 O ATOM 753 OE2 GLU A 125 3.406 1.950 -6.383 1.00 10.00 O ATOM 0 H GLU A 125 8.175 3.028 -4.833 1.00 10.00 H new ATOM 0 HA GLU A 125 7.403 3.756 -7.455 1.00 10.00 H new ATOM 0 HB2 GLU A 125 7.672 1.492 -6.886 1.00 10.00 H new ATOM 0 HB3 GLU A 125 6.685 1.631 -5.445 1.00 10.00 H new ATOM 0 HG2 GLU A 125 5.271 2.159 -8.021 1.00 10.00 H new ATOM 0 HG3 GLU A 125 5.831 0.515 -7.783 1.00 10.00 H new ATOM 760 N ALA A 126 5.182 4.487 -5.167 1.00 10.00 N ATOM 761 CA ALA A 126 3.980 5.248 -4.899 1.00 10.00 C ATOM 762 C ALA A 126 4.219 6.750 -5.048 1.00 10.00 C ATOM 763 O ALA A 126 4.123 7.481 -4.065 1.00 10.00 O ATOM 764 CB ALA A 126 3.493 4.917 -3.486 1.00 10.00 C ATOM 0 H ALA A 126 5.615 4.104 -4.326 1.00 10.00 H new ATOM 0 HA ALA A 126 3.218 4.973 -5.629 1.00 10.00 H new ATOM 0 HB1 ALA A 126 2.587 5.484 -3.271 1.00 10.00 H new ATOM 0 HB2 ALA A 126 3.279 3.851 -3.415 1.00 10.00 H new ATOM 0 HB3 ALA A 126 4.266 5.180 -2.764 1.00 10.00 H new ATOM 770 N ASP A 127 4.460 7.229 -6.271 1.00 10.00 N ATOM 771 CA ASP A 127 4.564 8.642 -6.604 1.00 10.00 C ATOM 772 C ASP A 127 3.434 9.065 -7.549 1.00 10.00 C ATOM 773 O ASP A 127 3.602 9.984 -8.348 1.00 10.00 O ATOM 774 CB ASP A 127 5.942 8.915 -7.221 1.00 10.00 C ATOM 775 CG ASP A 127 6.135 8.323 -8.616 1.00 10.00 C ATOM 776 OD1 ASP A 127 5.316 7.459 -9.003 1.00 10.00 O ATOM 777 OD2 ASP A 127 7.114 8.740 -9.274 1.00 10.00 O ATOM 0 H ASP A 127 4.591 6.620 -7.079 1.00 10.00 H new ATOM 0 HA ASP A 127 4.461 9.236 -5.696 1.00 10.00 H new ATOM 0 HB2 ASP A 127 6.097 9.993 -7.272 1.00 10.00 H new ATOM 0 HB3 ASP A 127 6.709 8.513 -6.559 1.00 10.00 H new ATOM 782 N VAL A 128 2.272 8.407 -7.435 1.00 10.00 N ATOM 783 CA VAL A 128 1.168 8.521 -8.384 1.00 10.00 C ATOM 784 C VAL A 128 0.842 9.984 -8.667 1.00 10.00 C ATOM 785 O VAL A 128 0.797 10.415 -9.818 1.00 10.00 O ATOM 786 CB VAL A 128 -0.082 7.776 -7.903 1.00 10.00 C ATOM 787 CG1 VAL A 128 -1.373 8.205 -8.615 1.00 10.00 C ATOM 788 CG2 VAL A 128 0.133 6.273 -8.140 1.00 10.00 C ATOM 0 H VAL A 128 2.074 7.769 -6.664 1.00 10.00 H new ATOM 0 HA VAL A 128 1.494 8.050 -9.312 1.00 10.00 H new ATOM 0 HB VAL A 128 -0.212 8.017 -6.848 1.00 10.00 H new ATOM 0 HG11 VAL A 128 -2.213 7.634 -8.220 1.00 10.00 H new ATOM 0 HG12 VAL A 128 -1.546 9.268 -8.446 1.00 10.00 H new ATOM 0 HG13 VAL A 128 -1.278 8.018 -9.685 1.00 10.00 H new ATOM 0 HG21 VAL A 128 -0.746 5.722 -7.804 1.00 10.00 H new ATOM 0 HG22 VAL A 128 0.291 6.091 -9.203 1.00 10.00 H new ATOM 0 HG23 VAL A 128 1.007 5.938 -7.581 1.00 10.00 H new ATOM 798 N ASP A 129 0.586 10.714 -7.581 1.00 10.00 N ATOM 799 CA ASP A 129 0.335 12.140 -7.574 1.00 10.00 C ATOM 800 C ASP A 129 1.167 12.723 -6.444 1.00 10.00 C ATOM 801 O ASP A 129 1.665 11.997 -5.578 1.00 10.00 O ATOM 802 CB ASP A 129 -1.158 12.432 -7.336 1.00 10.00 C ATOM 803 CG ASP A 129 -1.938 12.590 -8.631 1.00 10.00 C ATOM 804 OD1 ASP A 129 -1.618 13.553 -9.361 1.00 10.00 O ATOM 805 OD2 ASP A 129 -2.873 11.787 -8.837 1.00 10.00 O ATOM 0 H ASP A 129 0.548 10.303 -6.648 1.00 10.00 H new ATOM 0 HA ASP A 129 0.602 12.582 -8.534 1.00 10.00 H new ATOM 0 HB2 ASP A 129 -1.594 11.622 -6.751 1.00 10.00 H new ATOM 0 HB3 ASP A 129 -1.256 13.342 -6.744 1.00 10.00 H new ATOM 810 N GLN A 130 1.273 14.051 -6.437 1.00 10.00 N ATOM 811 CA GLN A 130 1.881 14.837 -5.379 1.00 10.00 C ATOM 812 C GLN A 130 3.407 14.714 -5.379 1.00 10.00 C ATOM 813 O GLN A 130 4.081 15.718 -5.604 1.00 10.00 O ATOM 814 CB GLN A 130 1.261 14.487 -4.010 1.00 10.00 C ATOM 815 CG GLN A 130 1.174 15.706 -3.082 1.00 10.00 C ATOM 816 CD GLN A 130 0.020 16.644 -3.440 1.00 10.00 C ATOM 817 OE1 GLN A 130 -0.675 16.459 -4.433 1.00 10.00 O ATOM 818 NE2 GLN A 130 -0.214 17.663 -2.618 1.00 10.00 N ATOM 0 H GLN A 130 0.921 14.627 -7.202 1.00 10.00 H new ATOM 0 HA GLN A 130 1.663 15.887 -5.575 1.00 10.00 H new ATOM 0 HB2 GLN A 130 0.263 14.075 -4.160 1.00 10.00 H new ATOM 0 HB3 GLN A 130 1.857 13.710 -3.531 1.00 10.00 H new ATOM 0 HG2 GLN A 130 1.054 15.366 -2.053 1.00 10.00 H new ATOM 0 HG3 GLN A 130 2.112 16.259 -3.127 1.00 10.00 H new ATOM 0 HE21 GLN A 130 0.375 17.801 -1.797 1.00 10.00 H new ATOM 0 HE22 GLN A 130 -0.982 18.306 -2.809 1.00 10.00 H new ATOM 827 N ASP A 131 3.933 13.516 -5.094 1.00 10.00 N ATOM 828 CA ASP A 131 5.331 13.252 -4.749 1.00 10.00 C ATOM 829 C ASP A 131 5.430 11.819 -4.223 1.00 10.00 C ATOM 830 O ASP A 131 6.228 11.025 -4.709 1.00 10.00 O ATOM 831 CB ASP A 131 5.831 14.237 -3.678 1.00 10.00 C ATOM 832 CG ASP A 131 7.173 13.810 -3.102 1.00 10.00 C ATOM 833 OD1 ASP A 131 8.197 14.126 -3.743 1.00 10.00 O ATOM 834 OD2 ASP A 131 7.143 13.195 -2.014 1.00 10.00 O ATOM 0 H ASP A 131 3.368 12.667 -5.099 1.00 10.00 H new ATOM 0 HA ASP A 131 5.953 13.380 -5.635 1.00 10.00 H new ATOM 0 HB2 ASP A 131 5.922 15.232 -4.113 1.00 10.00 H new ATOM 0 HB3 ASP A 131 5.096 14.306 -2.876 1.00 10.00 H new ATOM 839 N GLY A 132 4.589 11.503 -3.232 1.00 10.00 N ATOM 840 CA GLY A 132 4.594 10.230 -2.529 1.00 10.00 C ATOM 841 C GLY A 132 3.172 9.807 -2.149 1.00 10.00 C ATOM 842 O GLY A 132 2.809 9.892 -0.977 1.00 10.00 O ATOM 0 H GLY A 132 3.872 12.145 -2.894 1.00 10.00 H new ATOM 0 HA2 GLY A 132 5.049 9.465 -3.158 1.00 10.00 H new ATOM 0 HA3 GLY A 132 5.206 10.309 -1.631 1.00 10.00 H new ATOM 846 N ARG A 133 2.361 9.373 -3.121 1.00 10.00 N ATOM 847 CA ARG A 133 1.019 8.828 -2.916 1.00 10.00 C ATOM 848 C ARG A 133 0.731 7.754 -3.968 1.00 10.00 C ATOM 849 O ARG A 133 1.447 7.669 -4.961 1.00 10.00 O ATOM 850 CB ARG A 133 -0.057 9.915 -3.023 1.00 10.00 C ATOM 851 CG ARG A 133 0.064 11.066 -2.026 1.00 10.00 C ATOM 852 CD ARG A 133 -1.343 11.561 -1.656 1.00 10.00 C ATOM 853 NE ARG A 133 -1.994 10.684 -0.654 1.00 10.00 N ATOM 854 CZ ARG A 133 -1.777 10.702 0.674 1.00 10.00 C ATOM 855 NH1 ARG A 133 -0.828 11.500 1.177 1.00 10.00 N ATOM 856 NH2 ARG A 133 -2.497 9.928 1.491 1.00 10.00 N ATOM 0 H ARG A 133 2.633 9.393 -4.104 1.00 10.00 H new ATOM 0 HA ARG A 133 0.988 8.403 -1.913 1.00 10.00 H new ATOM 0 HB2 ARG A 133 -0.032 10.328 -4.031 1.00 10.00 H new ATOM 0 HB3 ARG A 133 -1.033 9.448 -2.894 1.00 10.00 H new ATOM 0 HG2 ARG A 133 0.593 10.735 -1.132 1.00 10.00 H new ATOM 0 HG3 ARG A 133 0.647 11.879 -2.459 1.00 10.00 H new ATOM 0 HD2 ARG A 133 -1.279 12.576 -1.263 1.00 10.00 H new ATOM 0 HD3 ARG A 133 -1.959 11.606 -2.554 1.00 10.00 H new ATOM 0 HE ARG A 133 -2.669 10.004 -1.003 1.00 10.00 H new ATOM 0 HH11 ARG A 133 -0.275 12.089 0.555 1.00 10.00 H new ATOM 0 HH12 ARG A 133 -0.658 11.519 2.183 1.00 10.00 H new ATOM 0 HH21 ARG A 133 -3.219 9.316 1.110 1.00 10.00 H new ATOM 0 HH22 ARG A 133 -2.325 9.949 2.496 1.00 10.00 H new ATOM 870 N VAL A 134 -0.329 6.956 -3.786 1.00 10.00 N ATOM 871 CA VAL A 134 -0.743 5.948 -4.749 1.00 10.00 C ATOM 872 C VAL A 134 -2.246 5.695 -4.689 1.00 10.00 C ATOM 873 O VAL A 134 -2.851 5.698 -3.614 1.00 10.00 O ATOM 874 CB VAL A 134 0.123 4.695 -4.620 1.00 10.00 C ATOM 875 CG1 VAL A 134 0.228 4.186 -3.203 1.00 10.00 C ATOM 876 CG2 VAL A 134 -0.304 3.538 -5.513 1.00 10.00 C ATOM 0 H VAL A 134 -0.923 6.998 -2.958 1.00 10.00 H new ATOM 0 HA VAL A 134 -0.571 6.323 -5.758 1.00 10.00 H new ATOM 0 HB VAL A 134 1.099 5.043 -4.957 1.00 10.00 H new ATOM 0 HG11 VAL A 134 0.856 3.295 -3.182 1.00 10.00 H new ATOM 0 HG12 VAL A 134 0.670 4.957 -2.571 1.00 10.00 H new ATOM 0 HG13 VAL A 134 -0.766 3.938 -2.831 1.00 10.00 H new ATOM 0 HG21 VAL A 134 0.365 2.692 -5.357 1.00 10.00 H new ATOM 0 HG22 VAL A 134 -1.324 3.245 -5.266 1.00 10.00 H new ATOM 0 HG23 VAL A 134 -0.259 3.848 -6.557 1.00 10.00 H new ATOM 886 N ASN A 135 -2.860 5.520 -5.862 1.00 10.00 N ATOM 887 CA ASN A 135 -4.276 5.236 -5.971 1.00 10.00 C ATOM 888 C ASN A 135 -4.494 3.801 -5.504 1.00 10.00 C ATOM 889 O ASN A 135 -3.940 2.863 -6.073 1.00 10.00 O ATOM 890 CB ASN A 135 -4.779 5.467 -7.399 1.00 10.00 C ATOM 891 CG ASN A 135 -6.297 5.650 -7.469 1.00 10.00 C ATOM 892 OD1 ASN A 135 -6.774 6.589 -8.097 1.00 10.00 O ATOM 893 ND2 ASN A 135 -7.088 4.776 -6.848 1.00 10.00 N ATOM 0 H ASN A 135 -2.379 5.573 -6.760 1.00 10.00 H new ATOM 0 HA ASN A 135 -4.854 5.914 -5.343 1.00 10.00 H new ATOM 0 HB2 ASN A 135 -4.291 6.350 -7.813 1.00 10.00 H new ATOM 0 HB3 ASN A 135 -4.490 4.621 -8.023 1.00 10.00 H new ATOM 0 HD21 ASN A 135 -8.101 4.884 -6.892 1.00 10.00 H new ATOM 0 HD22 ASN A 135 -6.680 3.999 -6.329 1.00 10.00 H new ATOM 900 N TYR A 136 -5.308 3.655 -4.464 1.00 10.00 N ATOM 901 CA TYR A 136 -5.566 2.422 -3.737 1.00 10.00 C ATOM 902 C TYR A 136 -5.658 1.179 -4.629 1.00 10.00 C ATOM 903 O TYR A 136 -4.779 0.327 -4.562 1.00 10.00 O ATOM 904 CB TYR A 136 -6.770 2.667 -2.826 1.00 10.00 C ATOM 905 CG TYR A 136 -7.789 1.569 -2.717 1.00 10.00 C ATOM 906 CD1 TYR A 136 -7.364 0.309 -2.292 1.00 10.00 C ATOM 907 CD2 TYR A 136 -9.061 1.724 -3.289 1.00 10.00 C ATOM 908 CE1 TYR A 136 -8.125 -0.821 -2.607 1.00 10.00 C ATOM 909 CE2 TYR A 136 -9.900 0.617 -3.442 1.00 10.00 C ATOM 910 CZ TYR A 136 -9.424 -0.672 -3.124 1.00 10.00 C ATOM 911 OH TYR A 136 -10.191 -1.779 -3.346 1.00 10.00 O ATOM 0 H TYR A 136 -5.835 4.442 -4.086 1.00 10.00 H new ATOM 0 HA TYR A 136 -4.708 2.170 -3.114 1.00 10.00 H new ATOM 0 HB2 TYR A 136 -6.397 2.881 -1.824 1.00 10.00 H new ATOM 0 HB3 TYR A 136 -7.279 3.566 -3.175 1.00 10.00 H new ATOM 0 HD1 TYR A 136 -6.452 0.207 -1.723 1.00 10.00 H new ATOM 0 HD2 TYR A 136 -9.392 2.700 -3.611 1.00 10.00 H new ATOM 0 HE1 TYR A 136 -7.715 -1.808 -2.453 1.00 10.00 H new ATOM 0 HE2 TYR A 136 -10.910 0.748 -3.803 1.00 10.00 H new ATOM 0 HH TYR A 136 -9.665 -2.584 -3.160 1.00 10.00 H new ATOM 921 N GLU A 137 -6.715 1.044 -5.434 1.00 10.00 N ATOM 922 CA GLU A 137 -6.919 -0.179 -6.205 1.00 10.00 C ATOM 923 C GLU A 137 -5.779 -0.328 -7.216 1.00 10.00 C ATOM 924 O GLU A 137 -5.119 -1.362 -7.287 1.00 10.00 O ATOM 925 CB GLU A 137 -8.300 -0.153 -6.889 1.00 10.00 C ATOM 926 CG GLU A 137 -9.045 -1.486 -6.748 1.00 10.00 C ATOM 927 CD GLU A 137 -8.209 -2.685 -7.169 1.00 10.00 C ATOM 928 OE1 GLU A 137 -7.997 -2.826 -8.392 1.00 10.00 O ATOM 929 OE2 GLU A 137 -7.802 -3.428 -6.249 1.00 10.00 O ATOM 0 H GLU A 137 -7.432 1.757 -5.566 1.00 10.00 H new ATOM 0 HA GLU A 137 -6.906 -1.046 -5.545 1.00 10.00 H new ATOM 0 HB2 GLU A 137 -8.903 0.645 -6.455 1.00 10.00 H new ATOM 0 HB3 GLU A 137 -8.175 0.081 -7.946 1.00 10.00 H new ATOM 0 HG2 GLU A 137 -9.356 -1.614 -5.711 1.00 10.00 H new ATOM 0 HG3 GLU A 137 -9.952 -1.454 -7.351 1.00 10.00 H new ATOM 936 N GLU A 138 -5.533 0.755 -7.962 1.00 10.00 N ATOM 937 CA GLU A 138 -4.516 0.843 -9.003 1.00 10.00 C ATOM 938 C GLU A 138 -3.171 0.280 -8.522 1.00 10.00 C ATOM 939 O GLU A 138 -2.523 -0.453 -9.266 1.00 10.00 O ATOM 940 CB GLU A 138 -4.415 2.298 -9.495 1.00 10.00 C ATOM 941 CG GLU A 138 -4.290 2.416 -11.019 1.00 10.00 C ATOM 942 CD GLU A 138 -2.970 1.887 -11.561 1.00 10.00 C ATOM 943 OE1 GLU A 138 -1.932 2.217 -10.950 1.00 10.00 O ATOM 944 OE2 GLU A 138 -3.033 1.187 -12.594 1.00 10.00 O ATOM 0 H GLU A 138 -6.058 1.622 -7.849 1.00 10.00 H new ATOM 0 HA GLU A 138 -4.808 0.223 -9.850 1.00 10.00 H new ATOM 0 HB2 GLU A 138 -5.297 2.847 -9.166 1.00 10.00 H new ATOM 0 HB3 GLU A 138 -3.552 2.773 -9.029 1.00 10.00 H new ATOM 0 HG2 GLU A 138 -5.110 1.871 -11.486 1.00 10.00 H new ATOM 0 HG3 GLU A 138 -4.398 3.462 -11.305 1.00 10.00 H new ATOM 951 N PHE A 139 -2.801 0.542 -7.257 1.00 10.00 N ATOM 952 CA PHE A 139 -1.655 -0.072 -6.580 1.00 10.00 C ATOM 953 C PHE A 139 -1.425 -1.512 -7.013 1.00 10.00 C ATOM 954 O PHE A 139 -0.305 -1.925 -7.315 1.00 10.00 O ATOM 955 CB PHE A 139 -1.829 -0.054 -5.051 1.00 10.00 C ATOM 956 CG PHE A 139 -0.563 -0.426 -4.293 1.00 10.00 C ATOM 957 CD1 PHE A 139 -0.047 -1.738 -4.344 1.00 10.00 C ATOM 958 CD2 PHE A 139 0.196 0.582 -3.679 1.00 10.00 C ATOM 959 CE1 PHE A 139 1.284 -1.984 -3.975 1.00 10.00 C ATOM 960 CE2 PHE A 139 1.544 0.353 -3.360 1.00 10.00 C ATOM 961 CZ PHE A 139 2.096 -0.922 -3.551 1.00 10.00 C ATOM 0 H PHE A 139 -3.305 1.203 -6.666 1.00 10.00 H new ATOM 0 HA PHE A 139 -0.791 0.528 -6.867 1.00 10.00 H new ATOM 0 HB2 PHE A 139 -2.150 0.941 -4.741 1.00 10.00 H new ATOM 0 HB3 PHE A 139 -2.625 -0.746 -4.775 1.00 10.00 H new ATOM 0 HD1 PHE A 139 -0.677 -2.553 -4.667 1.00 10.00 H new ATOM 0 HD2 PHE A 139 -0.257 1.535 -3.451 1.00 10.00 H new ATOM 0 HE1 PHE A 139 1.682 -2.987 -4.017 1.00 10.00 H new ATOM 0 HE2 PHE A 139 2.153 1.155 -2.969 1.00 10.00 H new ATOM 0 HZ PHE A 139 3.148 -1.086 -3.371 1.00 10.00 H new ATOM 971 N ALA A 140 -2.494 -2.303 -6.991 1.00 10.00 N ATOM 972 CA ALA A 140 -2.422 -3.727 -7.214 1.00 10.00 C ATOM 973 C ALA A 140 -1.774 -4.069 -8.569 1.00 10.00 C ATOM 974 O ALA A 140 -1.210 -5.149 -8.733 1.00 10.00 O ATOM 975 CB ALA A 140 -3.825 -4.302 -7.061 1.00 10.00 C ATOM 0 H ALA A 140 -3.439 -1.962 -6.816 1.00 10.00 H new ATOM 0 HA ALA A 140 -1.769 -4.187 -6.472 1.00 10.00 H new ATOM 0 HB1 ALA A 140 -3.797 -5.379 -7.225 1.00 10.00 H new ATOM 0 HB2 ALA A 140 -4.194 -4.098 -6.056 1.00 10.00 H new ATOM 0 HB3 ALA A 140 -4.489 -3.841 -7.792 1.00 10.00 H new ATOM 981 N ARG A 141 -1.857 -3.150 -9.535 1.00 10.00 N ATOM 982 CA ARG A 141 -1.210 -3.220 -10.838 1.00 10.00 C ATOM 983 C ARG A 141 0.304 -2.958 -10.789 1.00 10.00 C ATOM 984 O ARG A 141 1.027 -3.435 -11.659 1.00 10.00 O ATOM 985 CB ARG A 141 -1.928 -2.233 -11.764 1.00 10.00 C ATOM 986 CG ARG A 141 -1.750 -2.562 -13.250 1.00 10.00 C ATOM 987 CD ARG A 141 -2.923 -1.919 -13.991 1.00 10.00 C ATOM 988 NE ARG A 141 -2.848 -2.119 -15.442 1.00 10.00 N ATOM 989 CZ ARG A 141 -3.835 -1.762 -16.276 1.00 10.00 C ATOM 990 NH1 ARG A 141 -4.935 -1.177 -15.784 1.00 10.00 N ATOM 991 NH2 ARG A 141 -3.724 -1.991 -17.588 1.00 10.00 N ATOM 0 H ARG A 141 -2.405 -2.298 -9.419 1.00 10.00 H new ATOM 0 HA ARG A 141 -1.295 -4.238 -11.218 1.00 10.00 H new ATOM 0 HB2 ARG A 141 -2.991 -2.228 -11.524 1.00 10.00 H new ATOM 0 HB3 ARG A 141 -1.553 -1.227 -11.574 1.00 10.00 H new ATOM 0 HG2 ARG A 141 -0.801 -2.175 -13.620 1.00 10.00 H new ATOM 0 HG3 ARG A 141 -1.738 -3.640 -13.408 1.00 10.00 H new ATOM 0 HD2 ARG A 141 -3.858 -2.337 -13.618 1.00 10.00 H new ATOM 0 HD3 ARG A 141 -2.943 -0.851 -13.775 1.00 10.00 H new ATOM 0 HE ARG A 141 -2.009 -2.548 -15.833 1.00 10.00 H new ATOM 0 HH11 ARG A 141 -5.017 -1.006 -14.782 1.00 10.00 H new ATOM 0 HH12 ARG A 141 -5.691 -0.902 -16.412 1.00 10.00 H new ATOM 0 HH21 ARG A 141 -2.886 -2.439 -17.958 1.00 10.00 H new ATOM 0 HH22 ARG A 141 -4.477 -1.718 -18.219 1.00 10.00 H new ATOM 1005 N MET A 142 0.778 -2.164 -9.820 1.00 10.00 N ATOM 1006 CA MET A 142 2.200 -1.888 -9.613 1.00 10.00 C ATOM 1007 C MET A 142 2.831 -2.977 -8.736 1.00 10.00 C ATOM 1008 O MET A 142 3.941 -3.436 -9.011 1.00 10.00 O ATOM 1009 CB MET A 142 2.400 -0.481 -9.038 1.00 10.00 C ATOM 1010 CG MET A 142 1.848 0.594 -9.990 1.00 10.00 C ATOM 1011 SD MET A 142 3.052 1.816 -10.568 1.00 10.00 S ATOM 1012 CE MET A 142 2.051 2.657 -11.815 1.00 10.00 C ATOM 0 H MET A 142 0.173 -1.690 -9.150 1.00 10.00 H new ATOM 0 HA MET A 142 2.713 -1.911 -10.574 1.00 10.00 H new ATOM 0 HB2 MET A 142 1.901 -0.406 -8.072 1.00 10.00 H new ATOM 0 HB3 MET A 142 3.461 -0.305 -8.863 1.00 10.00 H new ATOM 0 HG2 MET A 142 1.415 0.098 -10.858 1.00 10.00 H new ATOM 0 HG3 MET A 142 1.037 1.119 -9.486 1.00 10.00 H new ATOM 0 HE1 MET A 142 2.638 3.449 -12.279 1.00 10.00 H new ATOM 0 HE2 MET A 142 1.741 1.941 -12.576 1.00 10.00 H new ATOM 0 HE3 MET A 142 1.169 3.089 -11.343 1.00 10.00 H new ATOM 1022 N LEU A 143 2.071 -3.497 -7.762 1.00 10.00 N ATOM 1023 CA LEU A 143 2.181 -4.891 -7.363 1.00 10.00 C ATOM 1024 C LEU A 143 2.213 -5.763 -8.647 1.00 10.00 C ATOM 1025 O LEU A 143 1.879 -5.301 -9.731 1.00 10.00 O ATOM 1026 CB LEU A 143 1.036 -5.193 -6.386 1.00 10.00 C ATOM 1027 CG LEU A 143 0.709 -6.677 -6.403 1.00 10.00 C ATOM 1028 CD1 LEU A 143 1.777 -7.436 -5.610 1.00 10.00 C ATOM 1029 CD2 LEU A 143 -0.662 -6.883 -5.831 1.00 10.00 C ATOM 0 H LEU A 143 1.375 -2.965 -7.240 1.00 10.00 H new ATOM 0 HA LEU A 143 3.102 -5.121 -6.828 1.00 10.00 H new ATOM 0 HB2 LEU A 143 1.318 -4.887 -5.379 1.00 10.00 H new ATOM 0 HB3 LEU A 143 0.153 -4.615 -6.660 1.00 10.00 H new ATOM 0 HG LEU A 143 0.711 -7.062 -7.423 1.00 10.00 H new ATOM 0 HD11 LEU A 143 1.548 -8.502 -5.619 1.00 10.00 H new ATOM 0 HD12 LEU A 143 2.754 -7.271 -6.065 1.00 10.00 H new ATOM 0 HD13 LEU A 143 1.791 -7.076 -4.581 1.00 10.00 H new ATOM 0 HD21 LEU A 143 -0.904 -7.946 -5.840 1.00 10.00 H new ATOM 0 HD22 LEU A 143 -0.688 -6.513 -4.806 1.00 10.00 H new ATOM 0 HD23 LEU A 143 -1.392 -6.340 -6.431 1.00 10.00 H new ATOM 1041 N ALA A 144 2.679 -7.015 -8.579 1.00 10.00 N ATOM 1042 CA ALA A 144 2.972 -7.849 -9.738 1.00 10.00 C ATOM 1043 C ALA A 144 4.109 -7.323 -10.636 1.00 10.00 C ATOM 1044 O ALA A 144 4.726 -8.134 -11.320 1.00 10.00 O ATOM 1045 CB ALA A 144 1.692 -8.180 -10.511 1.00 10.00 C ATOM 0 H ALA A 144 2.866 -7.483 -7.692 1.00 10.00 H new ATOM 0 HA ALA A 144 3.373 -8.784 -9.346 1.00 10.00 H new ATOM 0 HB1 ALA A 144 1.937 -8.803 -11.371 1.00 10.00 H new ATOM 0 HB2 ALA A 144 1.002 -8.716 -9.860 1.00 10.00 H new ATOM 0 HB3 ALA A 144 1.225 -7.257 -10.853 1.00 10.00 H new