USER MOD reduce.3.24.130724 H: found=0, std=0, add=471, rem=0, adj=5 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 107 MET CE :methyl 178:sc= 0 (180deg=-0.00492) USER MOD Set 1.2: A 122 MET CE :methyl -155:sc= -0.137 (180deg=-0.0875) USER MOD Single : A 84 GLN : amide:sc= 0.0456 K(o=0.046,f=-2.7!) USER MOD Single : A 97 HIS : no HD1:sc= -0.451 X(o=-0.45,f=-0.022) USER MOD Single : A 99 THR OG1 : rot 155:sc= 0.0264 USER MOD Single : A 112 GLN : amide:sc= -3.92! C(o=-3.9!,f=-2.3!) USER MOD Single : A 116 GLN : amide:sc= 0.747 K(o=0.75,f=-0.48) USER MOD Single : A 130 GLN : amide:sc=-0.00565 K(o=-0.0057,f=-1.1) USER MOD Single : A 135 ASN : amide:sc= -1.12 K(o=-1.1,f=-4.3!) USER MOD Single : A 136 TYR OH : rot 180:sc= 0 USER MOD Single : A 142 MET CE :methyl 154:sc= -0.0718 (180deg=-0.364) USER MOD ----------------------------------------------------------------- ATOM 37 N ALA A 78 -0.035 -13.740 -2.982 1.00 10.00 N ATOM 38 CA ALA A 78 0.187 -12.506 -2.266 1.00 10.00 C ATOM 39 C ALA A 78 0.634 -11.435 -3.255 1.00 10.00 C ATOM 40 O ALA A 78 0.418 -11.546 -4.462 1.00 10.00 O ATOM 41 CB ALA A 78 1.255 -12.724 -1.204 1.00 10.00 C ATOM 0 HA ALA A 78 -0.732 -12.183 -1.778 1.00 10.00 H new ATOM 0 HB1 ALA A 78 1.424 -11.794 -0.662 1.00 10.00 H new ATOM 0 HB2 ALA A 78 0.924 -13.494 -0.508 1.00 10.00 H new ATOM 0 HB3 ALA A 78 2.183 -13.040 -1.681 1.00 10.00 H new ATOM 47 N GLY A 79 1.230 -10.357 -2.750 1.00 10.00 N ATOM 48 CA GLY A 79 1.162 -9.123 -3.486 1.00 10.00 C ATOM 49 C GLY A 79 -0.326 -8.817 -3.583 1.00 10.00 C ATOM 50 O GLY A 79 -1.015 -8.764 -2.570 1.00 10.00 O ATOM 0 H GLY A 79 1.743 -10.322 -1.869 1.00 10.00 H new ATOM 0 HA2 GLY A 79 1.698 -8.325 -2.973 1.00 10.00 H new ATOM 0 HA3 GLY A 79 1.611 -9.225 -4.474 1.00 10.00 H new ATOM 54 N LEU A 80 -0.849 -8.689 -4.794 1.00 10.00 N ATOM 55 CA LEU A 80 -2.111 -8.024 -5.016 1.00 10.00 C ATOM 56 C LEU A 80 -3.263 -8.445 -4.110 1.00 10.00 C ATOM 57 O LEU A 80 -3.899 -7.593 -3.499 1.00 10.00 O ATOM 58 CB LEU A 80 -2.427 -8.109 -6.513 1.00 10.00 C ATOM 59 CG LEU A 80 -3.819 -7.636 -6.951 1.00 10.00 C ATOM 60 CD1 LEU A 80 -3.745 -7.201 -8.419 1.00 10.00 C ATOM 61 CD2 LEU A 80 -4.887 -8.733 -6.825 1.00 10.00 C ATOM 0 H LEU A 80 -0.408 -9.044 -5.642 1.00 10.00 H new ATOM 0 HA LEU A 80 -1.996 -6.983 -4.715 1.00 10.00 H new ATOM 0 HB2 LEU A 80 -1.683 -7.522 -7.052 1.00 10.00 H new ATOM 0 HB3 LEU A 80 -2.305 -9.145 -6.828 1.00 10.00 H new ATOM 0 HG LEU A 80 -4.109 -6.815 -6.295 1.00 10.00 H new ATOM 0 HD11 LEU A 80 -4.727 -6.861 -8.748 1.00 10.00 H new ATOM 0 HD12 LEU A 80 -3.027 -6.388 -8.522 1.00 10.00 H new ATOM 0 HD13 LEU A 80 -3.429 -8.044 -9.033 1.00 10.00 H new ATOM 0 HD21 LEU A 80 -5.851 -8.341 -7.149 1.00 10.00 H new ATOM 0 HD22 LEU A 80 -4.612 -9.582 -7.451 1.00 10.00 H new ATOM 0 HD23 LEU A 80 -4.957 -9.055 -5.786 1.00 10.00 H new ATOM 73 N GLU A 81 -3.550 -9.738 -4.031 1.00 10.00 N ATOM 74 CA GLU A 81 -4.748 -10.202 -3.342 1.00 10.00 C ATOM 75 C GLU A 81 -4.625 -9.954 -1.838 1.00 10.00 C ATOM 76 O GLU A 81 -5.534 -9.405 -1.209 1.00 10.00 O ATOM 77 CB GLU A 81 -4.982 -11.675 -3.694 1.00 10.00 C ATOM 78 CG GLU A 81 -6.444 -12.100 -3.529 1.00 10.00 C ATOM 79 CD GLU A 81 -6.652 -13.523 -4.038 1.00 10.00 C ATOM 80 OE1 GLU A 81 -6.065 -13.838 -5.101 1.00 10.00 O ATOM 81 OE2 GLU A 81 -7.394 -14.263 -3.360 1.00 10.00 O ATOM 0 H GLU A 81 -2.975 -10.479 -4.432 1.00 10.00 H new ATOM 0 HA GLU A 81 -5.623 -9.641 -3.670 1.00 10.00 H new ATOM 0 HB2 GLU A 81 -4.671 -11.851 -4.724 1.00 10.00 H new ATOM 0 HB3 GLU A 81 -4.353 -12.300 -3.060 1.00 10.00 H new ATOM 0 HG2 GLU A 81 -6.730 -12.039 -2.479 1.00 10.00 H new ATOM 0 HG3 GLU A 81 -7.091 -11.414 -4.076 1.00 10.00 H new ATOM 88 N ASP A 82 -3.460 -10.299 -1.280 1.00 10.00 N ATOM 89 CA ASP A 82 -3.180 -10.068 0.132 1.00 10.00 C ATOM 90 C ASP A 82 -3.267 -8.573 0.383 1.00 10.00 C ATOM 91 O ASP A 82 -3.881 -8.115 1.341 1.00 10.00 O ATOM 92 CB ASP A 82 -1.787 -10.584 0.528 1.00 10.00 C ATOM 93 CG ASP A 82 -1.849 -11.988 1.111 1.00 10.00 C ATOM 94 OD1 ASP A 82 -2.218 -12.083 2.299 1.00 10.00 O ATOM 95 OD2 ASP A 82 -1.517 -12.935 0.368 1.00 10.00 O ATOM 0 H ASP A 82 -2.696 -10.741 -1.791 1.00 10.00 H new ATOM 0 HA ASP A 82 -3.907 -10.611 0.736 1.00 10.00 H new ATOM 0 HB2 ASP A 82 -1.137 -10.582 -0.347 1.00 10.00 H new ATOM 0 HB3 ASP A 82 -1.342 -9.907 1.257 1.00 10.00 H new ATOM 100 N LEU A 83 -2.643 -7.796 -0.496 1.00 10.00 N ATOM 101 CA LEU A 83 -2.563 -6.370 -0.335 1.00 10.00 C ATOM 102 C LEU A 83 -3.916 -5.678 -0.514 1.00 10.00 C ATOM 103 O LEU A 83 -4.163 -4.688 0.156 1.00 10.00 O ATOM 104 CB LEU A 83 -1.470 -5.813 -1.227 1.00 10.00 C ATOM 105 CG LEU A 83 -0.052 -5.970 -0.638 1.00 10.00 C ATOM 106 CD1 LEU A 83 0.222 -4.927 0.455 1.00 10.00 C ATOM 107 CD2 LEU A 83 0.368 -7.347 -0.116 1.00 10.00 C ATOM 0 H LEU A 83 -2.183 -8.148 -1.335 1.00 10.00 H new ATOM 0 HA LEU A 83 -2.286 -6.152 0.696 1.00 10.00 H new ATOM 0 HB2 LEU A 83 -1.510 -6.315 -2.194 1.00 10.00 H new ATOM 0 HB3 LEU A 83 -1.664 -4.756 -1.408 1.00 10.00 H new ATOM 0 HG LEU A 83 0.563 -5.814 -1.524 1.00 10.00 H new ATOM 0 HD11 LEU A 83 1.229 -5.067 0.847 1.00 10.00 H new ATOM 0 HD12 LEU A 83 0.133 -3.926 0.033 1.00 10.00 H new ATOM 0 HD13 LEU A 83 -0.501 -5.047 1.262 1.00 10.00 H new ATOM 0 HD21 LEU A 83 1.388 -7.296 0.265 1.00 10.00 H new ATOM 0 HD22 LEU A 83 -0.304 -7.653 0.686 1.00 10.00 H new ATOM 0 HD23 LEU A 83 0.319 -8.074 -0.927 1.00 10.00 H new ATOM 119 N GLN A 84 -4.828 -6.164 -1.354 1.00 10.00 N ATOM 120 CA GLN A 84 -6.176 -5.601 -1.422 1.00 10.00 C ATOM 121 C GLN A 84 -6.869 -5.741 -0.062 1.00 10.00 C ATOM 122 O GLN A 84 -7.492 -4.800 0.433 1.00 10.00 O ATOM 123 CB GLN A 84 -6.971 -6.267 -2.559 1.00 10.00 C ATOM 124 CG GLN A 84 -7.796 -5.246 -3.356 1.00 10.00 C ATOM 125 CD GLN A 84 -6.908 -4.429 -4.295 1.00 10.00 C ATOM 126 OE1 GLN A 84 -6.373 -4.964 -5.260 1.00 10.00 O ATOM 127 NE2 GLN A 84 -6.733 -3.139 -4.026 1.00 10.00 N ATOM 0 H GLN A 84 -4.660 -6.941 -1.993 1.00 10.00 H new ATOM 0 HA GLN A 84 -6.121 -4.537 -1.650 1.00 10.00 H new ATOM 0 HB2 GLN A 84 -6.283 -6.781 -3.230 1.00 10.00 H new ATOM 0 HB3 GLN A 84 -7.635 -7.024 -2.142 1.00 10.00 H new ATOM 0 HG2 GLN A 84 -8.561 -5.765 -3.934 1.00 10.00 H new ATOM 0 HG3 GLN A 84 -8.315 -4.578 -2.669 1.00 10.00 H new ATOM 0 HE21 GLN A 84 -7.191 -2.720 -3.216 1.00 10.00 H new ATOM 0 HE22 GLN A 84 -6.141 -2.568 -4.629 1.00 10.00 H new ATOM 136 N VAL A 85 -6.725 -6.904 0.572 1.00 10.00 N ATOM 137 CA VAL A 85 -7.235 -7.158 1.891 1.00 10.00 C ATOM 138 C VAL A 85 -6.491 -6.268 2.907 1.00 10.00 C ATOM 139 O VAL A 85 -7.129 -5.675 3.776 1.00 10.00 O ATOM 140 CB VAL A 85 -7.092 -8.673 2.093 1.00 10.00 C ATOM 141 CG1 VAL A 85 -7.369 -9.051 3.531 1.00 10.00 C ATOM 142 CG2 VAL A 85 -8.038 -9.454 1.166 1.00 10.00 C ATOM 0 H VAL A 85 -6.239 -7.702 0.163 1.00 10.00 H new ATOM 0 HA VAL A 85 -8.283 -6.896 2.035 1.00 10.00 H new ATOM 0 HB VAL A 85 -6.064 -8.937 1.844 1.00 10.00 H new ATOM 0 HG11 VAL A 85 -7.262 -10.129 3.651 1.00 10.00 H new ATOM 0 HG12 VAL A 85 -6.661 -8.541 4.184 1.00 10.00 H new ATOM 0 HG13 VAL A 85 -8.384 -8.756 3.796 1.00 10.00 H new ATOM 0 HG21 VAL A 85 -7.911 -10.523 1.334 1.00 10.00 H new ATOM 0 HG22 VAL A 85 -9.069 -9.173 1.378 1.00 10.00 H new ATOM 0 HG23 VAL A 85 -7.805 -9.220 0.127 1.00 10.00 H new ATOM 152 N ALA A 86 -5.163 -6.135 2.773 1.00 10.00 N ATOM 153 CA ALA A 86 -4.319 -5.238 3.565 1.00 10.00 C ATOM 154 C ALA A 86 -4.915 -3.831 3.567 1.00 10.00 C ATOM 155 O ALA A 86 -5.266 -3.278 4.611 1.00 10.00 O ATOM 156 CB ALA A 86 -2.880 -5.217 2.993 1.00 10.00 C ATOM 0 H ALA A 86 -4.632 -6.669 2.085 1.00 10.00 H new ATOM 0 HA ALA A 86 -4.277 -5.601 4.592 1.00 10.00 H new ATOM 0 HB1 ALA A 86 -2.261 -4.547 3.590 1.00 10.00 H new ATOM 0 HB2 ALA A 86 -2.461 -6.223 3.025 1.00 10.00 H new ATOM 0 HB3 ALA A 86 -2.904 -4.867 1.961 1.00 10.00 H new ATOM 162 N PHE A 87 -5.023 -3.276 2.362 1.00 10.00 N ATOM 163 CA PHE A 87 -5.501 -1.947 2.056 1.00 10.00 C ATOM 164 C PHE A 87 -6.730 -1.622 2.877 1.00 10.00 C ATOM 165 O PHE A 87 -6.696 -0.668 3.647 1.00 10.00 O ATOM 166 CB PHE A 87 -5.750 -1.833 0.541 1.00 10.00 C ATOM 167 CG PHE A 87 -4.502 -1.484 -0.243 1.00 10.00 C ATOM 168 CD1 PHE A 87 -3.714 -0.405 0.177 1.00 10.00 C ATOM 169 CD2 PHE A 87 -4.110 -2.212 -1.382 1.00 10.00 C ATOM 170 CE1 PHE A 87 -2.435 -0.234 -0.363 1.00 10.00 C ATOM 171 CE2 PHE A 87 -2.800 -2.092 -1.869 1.00 10.00 C ATOM 172 CZ PHE A 87 -1.928 -1.167 -1.276 1.00 10.00 C ATOM 0 H PHE A 87 -4.758 -3.787 1.520 1.00 10.00 H new ATOM 0 HA PHE A 87 -4.747 -1.207 2.325 1.00 10.00 H new ATOM 0 HB2 PHE A 87 -6.151 -2.778 0.173 1.00 10.00 H new ATOM 0 HB3 PHE A 87 -6.510 -1.073 0.360 1.00 10.00 H new ATOM 0 HD1 PHE A 87 -4.091 0.290 0.913 1.00 10.00 H new ATOM 0 HD2 PHE A 87 -4.816 -2.861 -1.879 1.00 10.00 H new ATOM 0 HE1 PHE A 87 -1.838 0.619 -0.075 1.00 10.00 H new ATOM 0 HE2 PHE A 87 -2.466 -2.706 -2.692 1.00 10.00 H new ATOM 0 HZ PHE A 87 -0.876 -1.174 -1.521 1.00 10.00 H new ATOM 182 N ARG A 88 -7.766 -2.455 2.765 1.00 10.00 N ATOM 183 CA ARG A 88 -9.060 -2.267 3.410 1.00 10.00 C ATOM 184 C ARG A 88 -8.998 -1.850 4.891 1.00 10.00 C ATOM 185 O ARG A 88 -9.969 -1.289 5.396 1.00 10.00 O ATOM 186 CB ARG A 88 -9.910 -3.539 3.210 1.00 10.00 C ATOM 187 CG ARG A 88 -11.159 -3.268 2.357 1.00 10.00 C ATOM 188 CD ARG A 88 -12.285 -2.654 3.196 1.00 10.00 C ATOM 189 NE ARG A 88 -12.913 -3.675 4.053 1.00 10.00 N ATOM 190 CZ ARG A 88 -13.797 -3.432 5.034 1.00 10.00 C ATOM 191 NH1 ARG A 88 -14.066 -2.175 5.397 1.00 10.00 N ATOM 192 NH2 ARG A 88 -14.414 -4.455 5.640 1.00 10.00 N ATOM 0 H ARG A 88 -7.723 -3.306 2.204 1.00 10.00 H new ATOM 0 HA ARG A 88 -9.531 -1.413 2.923 1.00 10.00 H new ATOM 0 HB2 ARG A 88 -9.304 -4.308 2.732 1.00 10.00 H new ATOM 0 HB3 ARG A 88 -10.212 -3.930 4.182 1.00 10.00 H new ATOM 0 HG2 ARG A 88 -10.904 -2.595 1.539 1.00 10.00 H new ATOM 0 HG3 ARG A 88 -11.504 -4.199 1.908 1.00 10.00 H new ATOM 0 HD2 ARG A 88 -11.887 -1.849 3.813 1.00 10.00 H new ATOM 0 HD3 ARG A 88 -13.035 -2.212 2.540 1.00 10.00 H new ATOM 0 HE ARG A 88 -12.655 -4.648 3.887 1.00 10.00 H new ATOM 0 HH11 ARG A 88 -13.600 -1.398 4.929 1.00 10.00 H new ATOM 0 HH12 ARG A 88 -14.738 -1.992 6.142 1.00 10.00 H new ATOM 0 HH21 ARG A 88 -14.211 -5.413 5.356 1.00 10.00 H new ATOM 0 HH22 ARG A 88 -15.086 -4.276 6.386 1.00 10.00 H new ATOM 206 N ALA A 89 -7.895 -2.119 5.598 1.00 10.00 N ATOM 207 CA ALA A 89 -7.693 -1.634 6.956 1.00 10.00 C ATOM 208 C ALA A 89 -7.464 -0.109 7.023 1.00 10.00 C ATOM 209 O ALA A 89 -8.012 0.544 7.909 1.00 10.00 O ATOM 210 CB ALA A 89 -6.545 -2.423 7.587 1.00 10.00 C ATOM 0 H ALA A 89 -7.121 -2.679 5.240 1.00 10.00 H new ATOM 0 HA ALA A 89 -8.606 -1.801 7.528 1.00 10.00 H new ATOM 0 HB1 ALA A 89 -6.379 -2.073 8.606 1.00 10.00 H new ATOM 0 HB2 ALA A 89 -6.798 -3.483 7.605 1.00 10.00 H new ATOM 0 HB3 ALA A 89 -5.638 -2.277 7.001 1.00 10.00 H new ATOM 216 N PHE A 90 -6.661 0.462 6.116 1.00 10.00 N ATOM 217 CA PHE A 90 -6.281 1.876 6.079 1.00 10.00 C ATOM 218 C PHE A 90 -6.432 2.395 4.652 1.00 10.00 C ATOM 219 O PHE A 90 -5.456 2.773 4.004 1.00 10.00 O ATOM 220 CB PHE A 90 -4.850 2.029 6.555 1.00 10.00 C ATOM 221 CG PHE A 90 -4.502 1.282 7.807 1.00 10.00 C ATOM 222 CD1 PHE A 90 -4.023 -0.022 7.675 1.00 10.00 C ATOM 223 CD2 PHE A 90 -4.808 1.804 9.073 1.00 10.00 C ATOM 224 CE1 PHE A 90 -3.912 -0.837 8.798 1.00 10.00 C ATOM 225 CE2 PHE A 90 -4.672 0.989 10.208 1.00 10.00 C ATOM 226 CZ PHE A 90 -4.253 -0.347 10.070 1.00 10.00 C ATOM 0 H PHE A 90 -6.242 -0.074 5.356 1.00 10.00 H new ATOM 0 HA PHE A 90 -6.928 2.455 6.737 1.00 10.00 H new ATOM 0 HB2 PHE A 90 -4.183 1.698 5.758 1.00 10.00 H new ATOM 0 HB3 PHE A 90 -4.651 3.088 6.718 1.00 10.00 H new ATOM 0 HD1 PHE A 90 -3.739 -0.398 6.703 1.00 10.00 H new ATOM 0 HD2 PHE A 90 -5.146 2.825 9.174 1.00 10.00 H new ATOM 0 HE1 PHE A 90 -3.561 -1.853 8.691 1.00 10.00 H new ATOM 0 HE2 PHE A 90 -4.889 1.388 11.188 1.00 10.00 H new ATOM 0 HZ PHE A 90 -4.194 -0.991 10.935 1.00 10.00 H new ATOM 236 N ASP A 91 -7.668 2.373 4.162 1.00 10.00 N ATOM 237 CA ASP A 91 -8.015 2.685 2.791 1.00 10.00 C ATOM 238 C ASP A 91 -9.447 3.207 2.798 1.00 10.00 C ATOM 239 O ASP A 91 -10.174 3.002 3.772 1.00 10.00 O ATOM 240 CB ASP A 91 -7.878 1.406 1.962 1.00 10.00 C ATOM 241 CG ASP A 91 -8.381 1.525 0.542 1.00 10.00 C ATOM 242 OD1 ASP A 91 -8.339 2.652 -0.003 1.00 10.00 O ATOM 243 OD2 ASP A 91 -8.872 0.491 0.052 1.00 10.00 O ATOM 0 H ASP A 91 -8.478 2.129 4.732 1.00 10.00 H new ATOM 0 HA ASP A 91 -7.363 3.442 2.354 1.00 10.00 H new ATOM 0 HB2 ASP A 91 -6.828 1.113 1.939 1.00 10.00 H new ATOM 0 HB3 ASP A 91 -8.422 0.604 2.461 1.00 10.00 H new ATOM 296 N GLY A 96 -10.766 7.404 -1.602 1.00 10.00 N ATOM 297 CA GLY A 96 -9.571 7.999 -1.059 1.00 10.00 C ATOM 298 C GLY A 96 -8.316 7.201 -1.380 1.00 10.00 C ATOM 299 O GLY A 96 -8.205 6.014 -1.078 1.00 10.00 O ATOM 0 HA2 GLY A 96 -9.463 9.010 -1.452 1.00 10.00 H new ATOM 0 HA3 GLY A 96 -9.674 8.087 0.023 1.00 10.00 H new ATOM 303 N HIS A 97 -7.373 7.918 -1.993 1.00 10.00 N ATOM 304 CA HIS A 97 -5.940 7.671 -2.012 1.00 10.00 C ATOM 305 C HIS A 97 -5.426 7.088 -0.692 1.00 10.00 C ATOM 306 O HIS A 97 -5.916 7.439 0.381 1.00 10.00 O ATOM 307 CB HIS A 97 -5.240 9.019 -2.237 1.00 10.00 C ATOM 308 CG HIS A 97 -5.102 9.409 -3.682 1.00 10.00 C ATOM 309 ND1 HIS A 97 -5.972 10.163 -4.439 1.00 10.00 N ATOM 310 CD2 HIS A 97 -3.996 9.169 -4.443 1.00 10.00 C ATOM 311 CE1 HIS A 97 -5.390 10.356 -5.639 1.00 10.00 C ATOM 312 NE2 HIS A 97 -4.185 9.766 -5.688 1.00 10.00 N ATOM 0 H HIS A 97 -7.616 8.751 -2.530 1.00 10.00 H new ATOM 0 HA HIS A 97 -5.730 6.949 -2.801 1.00 10.00 H new ATOM 0 HB2 HIS A 97 -5.797 9.796 -1.714 1.00 10.00 H new ATOM 0 HB3 HIS A 97 -4.248 8.980 -1.787 1.00 10.00 H new ATOM 0 HD2 HIS A 97 -3.124 8.612 -4.134 1.00 10.00 H new ATOM 0 HE1 HIS A 97 -5.834 10.911 -6.452 1.00 10.00 H new ATOM 0 HE2 HIS A 97 -3.539 9.757 -6.477 1.00 10.00 H new ATOM 320 N ILE A 98 -4.373 6.273 -0.780 1.00 10.00 N ATOM 321 CA ILE A 98 -3.695 5.741 0.395 1.00 10.00 C ATOM 322 C ILE A 98 -2.662 6.715 0.962 1.00 10.00 C ATOM 323 O ILE A 98 -2.260 7.699 0.343 1.00 10.00 O ATOM 324 CB ILE A 98 -3.012 4.382 0.122 1.00 10.00 C ATOM 325 CG1 ILE A 98 -2.520 4.231 -1.324 1.00 10.00 C ATOM 326 CG2 ILE A 98 -3.855 3.222 0.664 1.00 10.00 C ATOM 327 CD1 ILE A 98 -1.683 2.967 -1.524 1.00 10.00 C ATOM 0 H ILE A 98 -3.971 5.966 -1.666 1.00 10.00 H new ATOM 0 HA ILE A 98 -4.482 5.593 1.134 1.00 10.00 H new ATOM 0 HB ILE A 98 -2.083 4.348 0.692 1.00 10.00 H new ATOM 0 HG12 ILE A 98 -3.378 4.206 -1.996 1.00 10.00 H new ATOM 0 HG13 ILE A 98 -1.927 5.104 -1.596 1.00 10.00 H new ATOM 0 HG21 ILE A 98 -3.350 2.278 0.458 1.00 10.00 H new ATOM 0 HG22 ILE A 98 -3.983 3.337 1.740 1.00 10.00 H new ATOM 0 HG23 ILE A 98 -4.832 3.225 0.180 1.00 10.00 H new ATOM 0 HD11 ILE A 98 -1.359 2.906 -2.563 1.00 10.00 H new ATOM 0 HD12 ILE A 98 -0.810 3.002 -0.873 1.00 10.00 H new ATOM 0 HD13 ILE A 98 -2.283 2.091 -1.279 1.00 10.00 H new ATOM 339 N THR A 99 -2.217 6.322 2.151 1.00 10.00 N ATOM 340 CA THR A 99 -1.205 6.866 3.026 1.00 10.00 C ATOM 341 C THR A 99 -0.200 5.725 3.188 1.00 10.00 C ATOM 342 O THR A 99 -0.497 4.691 3.784 1.00 10.00 O ATOM 343 CB THR A 99 -1.967 7.257 4.300 1.00 10.00 C ATOM 344 OG1 THR A 99 -2.738 8.420 4.107 1.00 10.00 O ATOM 345 CG2 THR A 99 -1.130 7.437 5.560 1.00 10.00 C ATOM 0 H THR A 99 -2.626 5.490 2.577 1.00 10.00 H new ATOM 0 HA THR A 99 -0.657 7.747 2.691 1.00 10.00 H new ATOM 0 HB THR A 99 -2.597 6.386 4.477 1.00 10.00 H new ATOM 0 HG1 THR A 99 -3.486 8.425 4.740 1.00 10.00 H new ATOM 0 HG21 THR A 99 -1.779 7.712 6.392 1.00 10.00 H new ATOM 0 HG22 THR A 99 -0.618 6.504 5.793 1.00 10.00 H new ATOM 0 HG23 THR A 99 -0.394 8.225 5.398 1.00 10.00 H new ATOM 353 N VAL A 100 0.995 5.887 2.615 1.00 10.00 N ATOM 354 CA VAL A 100 2.052 4.879 2.663 1.00 10.00 C ATOM 355 C VAL A 100 2.284 4.340 4.088 1.00 10.00 C ATOM 356 O VAL A 100 2.615 3.170 4.289 1.00 10.00 O ATOM 357 CB VAL A 100 3.349 5.376 2.020 1.00 10.00 C ATOM 358 CG1 VAL A 100 3.295 5.270 0.491 1.00 10.00 C ATOM 359 CG2 VAL A 100 3.626 6.819 2.407 1.00 10.00 C ATOM 0 H VAL A 100 1.256 6.729 2.101 1.00 10.00 H new ATOM 0 HA VAL A 100 1.704 4.037 2.065 1.00 10.00 H new ATOM 0 HB VAL A 100 4.152 4.738 2.390 1.00 10.00 H new ATOM 0 HG11 VAL A 100 4.232 5.631 0.068 1.00 10.00 H new ATOM 0 HG12 VAL A 100 3.144 4.229 0.204 1.00 10.00 H new ATOM 0 HG13 VAL A 100 2.470 5.874 0.113 1.00 10.00 H new ATOM 0 HG21 VAL A 100 4.553 7.150 1.938 1.00 10.00 H new ATOM 0 HG22 VAL A 100 2.804 7.450 2.071 1.00 10.00 H new ATOM 0 HG23 VAL A 100 3.721 6.893 3.490 1.00 10.00 H new ATOM 369 N ASP A 101 2.112 5.197 5.097 1.00 10.00 N ATOM 370 CA ASP A 101 2.309 4.784 6.492 1.00 10.00 C ATOM 371 C ASP A 101 1.177 3.878 7.007 1.00 10.00 C ATOM 372 O ASP A 101 1.381 2.942 7.776 1.00 10.00 O ATOM 373 CB ASP A 101 2.543 6.002 7.386 1.00 10.00 C ATOM 374 CG ASP A 101 3.234 5.578 8.673 1.00 10.00 C ATOM 375 OD1 ASP A 101 4.479 5.437 8.604 1.00 10.00 O ATOM 376 OD2 ASP A 101 2.528 5.364 9.678 1.00 10.00 O ATOM 0 H ASP A 101 1.839 6.173 4.978 1.00 10.00 H new ATOM 0 HA ASP A 101 3.209 4.170 6.531 1.00 10.00 H new ATOM 0 HB2 ASP A 101 3.153 6.737 6.861 1.00 10.00 H new ATOM 0 HB3 ASP A 101 1.592 6.483 7.616 1.00 10.00 H new ATOM 381 N GLU A 102 -0.031 4.128 6.516 1.00 10.00 N ATOM 382 CA GLU A 102 -1.228 3.335 6.744 1.00 10.00 C ATOM 383 C GLU A 102 -1.048 1.986 6.044 1.00 10.00 C ATOM 384 O GLU A 102 -1.351 0.931 6.596 1.00 10.00 O ATOM 385 CB GLU A 102 -2.414 4.167 6.237 1.00 10.00 C ATOM 386 CG GLU A 102 -3.062 4.989 7.370 1.00 10.00 C ATOM 387 CD GLU A 102 -4.300 5.778 6.934 1.00 10.00 C ATOM 388 OE1 GLU A 102 -4.123 6.839 6.295 1.00 10.00 O ATOM 389 OE2 GLU A 102 -5.408 5.308 7.267 1.00 10.00 O ATOM 0 H GLU A 102 -0.209 4.933 5.916 1.00 10.00 H new ATOM 0 HA GLU A 102 -1.415 3.106 7.793 1.00 10.00 H new ATOM 0 HB2 GLU A 102 -2.076 4.839 5.448 1.00 10.00 H new ATOM 0 HB3 GLU A 102 -3.160 3.506 5.795 1.00 10.00 H new ATOM 0 HG2 GLU A 102 -3.339 4.316 8.181 1.00 10.00 H new ATOM 0 HG3 GLU A 102 -2.323 5.683 7.770 1.00 10.00 H new ATOM 396 N LEU A 103 -0.449 2.000 4.855 1.00 10.00 N ATOM 397 CA LEU A 103 0.054 0.792 4.226 1.00 10.00 C ATOM 398 C LEU A 103 0.969 0.022 5.192 1.00 10.00 C ATOM 399 O LEU A 103 0.793 -1.170 5.435 1.00 10.00 O ATOM 400 CB LEU A 103 0.816 1.189 2.960 1.00 10.00 C ATOM 401 CG LEU A 103 0.141 0.658 1.707 1.00 10.00 C ATOM 402 CD1 LEU A 103 0.846 1.293 0.498 1.00 10.00 C ATOM 403 CD2 LEU A 103 0.283 -0.860 1.577 1.00 10.00 C ATOM 0 H LEU A 103 -0.302 2.847 4.307 1.00 10.00 H new ATOM 0 HA LEU A 103 -0.776 0.135 3.966 1.00 10.00 H new ATOM 0 HB2 LEU A 103 0.886 2.275 2.903 1.00 10.00 H new ATOM 0 HB3 LEU A 103 1.835 0.807 3.014 1.00 10.00 H new ATOM 0 HG LEU A 103 -0.920 0.902 1.757 1.00 10.00 H new ATOM 0 HD11 LEU A 103 0.386 0.933 -0.422 1.00 10.00 H new ATOM 0 HD12 LEU A 103 0.752 2.378 0.550 1.00 10.00 H new ATOM 0 HD13 LEU A 103 1.901 1.019 0.507 1.00 10.00 H new ATOM 0 HD21 LEU A 103 -0.215 -1.195 0.667 1.00 10.00 H new ATOM 0 HD22 LEU A 103 1.340 -1.124 1.531 1.00 10.00 H new ATOM 0 HD23 LEU A 103 -0.175 -1.343 2.440 1.00 10.00 H new ATOM 415 N ARG A 104 1.960 0.716 5.756 1.00 10.00 N ATOM 416 CA ARG A 104 2.895 0.123 6.705 1.00 10.00 C ATOM 417 C ARG A 104 2.173 -0.459 7.928 1.00 10.00 C ATOM 418 O ARG A 104 2.546 -1.528 8.405 1.00 10.00 O ATOM 419 CB ARG A 104 3.961 1.158 7.078 1.00 10.00 C ATOM 420 CG ARG A 104 5.198 0.552 7.767 1.00 10.00 C ATOM 421 CD ARG A 104 6.559 0.953 7.157 1.00 10.00 C ATOM 422 NE ARG A 104 6.571 2.303 6.562 1.00 10.00 N ATOM 423 CZ ARG A 104 6.187 3.408 7.219 1.00 10.00 C ATOM 424 NH1 ARG A 104 6.108 3.416 8.549 1.00 10.00 N ATOM 425 NH2 ARG A 104 5.822 4.508 6.562 1.00 10.00 N ATOM 0 H ARG A 104 2.134 1.703 5.566 1.00 10.00 H new ATOM 0 HA ARG A 104 3.396 -0.724 6.236 1.00 10.00 H new ATOM 0 HB2 ARG A 104 4.278 1.681 6.176 1.00 10.00 H new ATOM 0 HB3 ARG A 104 3.516 1.903 7.738 1.00 10.00 H new ATOM 0 HG2 ARG A 104 5.189 0.846 8.817 1.00 10.00 H new ATOM 0 HG3 ARG A 104 5.113 -0.534 7.739 1.00 10.00 H new ATOM 0 HD2 ARG A 104 7.323 0.901 7.932 1.00 10.00 H new ATOM 0 HD3 ARG A 104 6.832 0.226 6.392 1.00 10.00 H new ATOM 0 HE ARG A 104 6.889 2.402 5.598 1.00 10.00 H new ATOM 0 HH11 ARG A 104 6.341 2.576 9.079 1.00 10.00 H new ATOM 0 HH12 ARG A 104 5.815 4.262 9.037 1.00 10.00 H new ATOM 0 HH21 ARG A 104 5.831 4.520 5.542 1.00 10.00 H new ATOM 0 HH22 ARG A 104 5.533 5.339 7.079 1.00 10.00 H new ATOM 439 N ARG A 105 1.129 0.211 8.426 1.00 10.00 N ATOM 440 CA ARG A 105 0.254 -0.376 9.436 1.00 10.00 C ATOM 441 C ARG A 105 -0.331 -1.696 8.918 1.00 10.00 C ATOM 442 O ARG A 105 -0.201 -2.723 9.580 1.00 10.00 O ATOM 443 CB ARG A 105 -0.854 0.604 9.855 1.00 10.00 C ATOM 444 CG ARG A 105 -0.316 1.836 10.596 1.00 10.00 C ATOM 445 CD ARG A 105 -0.440 1.640 12.113 1.00 10.00 C ATOM 446 NE ARG A 105 0.170 2.747 12.866 1.00 10.00 N ATOM 447 CZ ARG A 105 -0.362 3.970 13.031 1.00 10.00 C ATOM 448 NH1 ARG A 105 -1.522 4.282 12.443 1.00 10.00 N ATOM 449 NH2 ARG A 105 0.265 4.872 13.797 1.00 10.00 N ATOM 0 H ARG A 105 0.873 1.157 8.145 1.00 10.00 H new ATOM 0 HA ARG A 105 0.845 -0.587 10.327 1.00 10.00 H new ATOM 0 HB2 ARG A 105 -1.398 0.929 8.968 1.00 10.00 H new ATOM 0 HB3 ARG A 105 -1.568 0.085 10.495 1.00 10.00 H new ATOM 0 HG2 ARG A 105 0.727 2.003 10.328 1.00 10.00 H new ATOM 0 HG3 ARG A 105 -0.870 2.724 10.290 1.00 10.00 H new ATOM 0 HD2 ARG A 105 -1.493 1.556 12.382 1.00 10.00 H new ATOM 0 HD3 ARG A 105 0.038 0.702 12.397 1.00 10.00 H new ATOM 0 HE ARG A 105 1.076 2.571 13.301 1.00 10.00 H new ATOM 0 HH11 ARG A 105 -2.004 3.591 11.868 1.00 10.00 H new ATOM 0 HH12 ARG A 105 -1.924 5.211 12.569 1.00 10.00 H new ATOM 0 HH21 ARG A 105 1.144 4.630 14.254 1.00 10.00 H new ATOM 0 HH22 ARG A 105 -0.137 5.801 13.924 1.00 10.00 H new ATOM 463 N ALA A 106 -0.944 -1.685 7.729 1.00 10.00 N ATOM 464 CA ALA A 106 -1.521 -2.876 7.103 1.00 10.00 C ATOM 465 C ALA A 106 -0.576 -4.071 7.137 1.00 10.00 C ATOM 466 O ALA A 106 -0.975 -5.174 7.505 1.00 10.00 O ATOM 467 CB ALA A 106 -1.939 -2.579 5.663 1.00 10.00 C ATOM 0 H ALA A 106 -1.054 -0.839 7.170 1.00 10.00 H new ATOM 0 HA ALA A 106 -2.401 -3.142 7.688 1.00 10.00 H new ATOM 0 HB1 ALA A 106 -2.365 -3.477 5.215 1.00 10.00 H new ATOM 0 HB2 ALA A 106 -2.683 -1.782 5.657 1.00 10.00 H new ATOM 0 HB3 ALA A 106 -1.067 -2.266 5.088 1.00 10.00 H new ATOM 473 N MET A 107 0.684 -3.842 6.777 1.00 10.00 N ATOM 474 CA MET A 107 1.700 -4.884 6.768 1.00 10.00 C ATOM 475 C MET A 107 1.809 -5.636 8.101 1.00 10.00 C ATOM 476 O MET A 107 2.106 -6.832 8.110 1.00 10.00 O ATOM 477 CB MET A 107 3.038 -4.273 6.360 1.00 10.00 C ATOM 478 CG MET A 107 3.029 -3.804 4.904 1.00 10.00 C ATOM 479 SD MET A 107 2.891 -5.142 3.702 1.00 10.00 S ATOM 480 CE MET A 107 4.028 -4.523 2.462 1.00 10.00 C ATOM 0 H MET A 107 1.027 -2.927 6.484 1.00 10.00 H new ATOM 0 HA MET A 107 1.400 -5.636 6.038 1.00 10.00 H new ATOM 0 HB2 MET A 107 3.266 -3.430 7.012 1.00 10.00 H new ATOM 0 HB3 MET A 107 3.831 -5.008 6.500 1.00 10.00 H new ATOM 0 HG2 MET A 107 2.198 -3.114 4.761 1.00 10.00 H new ATOM 0 HG3 MET A 107 3.944 -3.246 4.707 1.00 10.00 H new ATOM 0 HE1 MET A 107 4.103 -5.242 1.646 1.00 10.00 H new ATOM 0 HE2 MET A 107 3.662 -3.572 2.075 1.00 10.00 H new ATOM 0 HE3 MET A 107 5.011 -4.378 2.910 1.00 10.00 H new ATOM 490 N ALA A 108 1.532 -4.966 9.225 1.00 10.00 N ATOM 491 CA ALA A 108 1.498 -5.626 10.523 1.00 10.00 C ATOM 492 C ALA A 108 0.477 -6.765 10.551 1.00 10.00 C ATOM 493 O ALA A 108 0.712 -7.789 11.186 1.00 10.00 O ATOM 494 CB ALA A 108 1.229 -4.603 11.628 1.00 10.00 C ATOM 0 H ALA A 108 1.329 -3.967 9.256 1.00 10.00 H new ATOM 0 HA ALA A 108 2.475 -6.076 10.702 1.00 10.00 H new ATOM 0 HB1 ALA A 108 1.206 -5.108 12.594 1.00 10.00 H new ATOM 0 HB2 ALA A 108 2.020 -3.853 11.630 1.00 10.00 H new ATOM 0 HB3 ALA A 108 0.269 -4.118 11.449 1.00 10.00 H new ATOM 500 N GLY A 109 -0.643 -6.593 9.847 1.00 10.00 N ATOM 501 CA GLY A 109 -1.668 -7.611 9.705 1.00 10.00 C ATOM 502 C GLY A 109 -1.147 -8.840 8.959 1.00 10.00 C ATOM 503 O GLY A 109 -1.487 -9.969 9.299 1.00 10.00 O ATOM 0 H GLY A 109 -0.860 -5.727 9.354 1.00 10.00 H new ATOM 0 HA2 GLY A 109 -2.024 -7.908 10.691 1.00 10.00 H new ATOM 0 HA3 GLY A 109 -2.522 -7.195 9.170 1.00 10.00 H new ATOM 507 N LEU A 110 -0.351 -8.614 7.911 1.00 10.00 N ATOM 508 CA LEU A 110 0.049 -9.647 6.963 1.00 10.00 C ATOM 509 C LEU A 110 1.012 -10.665 7.572 1.00 10.00 C ATOM 510 O LEU A 110 0.819 -11.864 7.389 1.00 10.00 O ATOM 511 CB LEU A 110 0.626 -8.995 5.707 1.00 10.00 C ATOM 512 CG LEU A 110 -0.427 -8.684 4.633 1.00 10.00 C ATOM 513 CD1 LEU A 110 -1.682 -7.983 5.165 1.00 10.00 C ATOM 514 CD2 LEU A 110 0.205 -7.794 3.560 1.00 10.00 C ATOM 0 H LEU A 110 0.037 -7.695 7.698 1.00 10.00 H new ATOM 0 HA LEU A 110 -0.840 -10.215 6.688 1.00 10.00 H new ATOM 0 HB2 LEU A 110 1.130 -8.070 5.987 1.00 10.00 H new ATOM 0 HB3 LEU A 110 1.383 -9.654 5.281 1.00 10.00 H new ATOM 0 HG LEU A 110 -0.749 -9.647 4.236 1.00 10.00 H new ATOM 0 HD11 LEU A 110 -2.373 -7.800 4.342 1.00 10.00 H new ATOM 0 HD12 LEU A 110 -2.164 -8.616 5.910 1.00 10.00 H new ATOM 0 HD13 LEU A 110 -1.402 -7.034 5.622 1.00 10.00 H new ATOM 0 HD21 LEU A 110 -0.535 -7.568 2.793 1.00 10.00 H new ATOM 0 HD22 LEU A 110 0.552 -6.866 4.015 1.00 10.00 H new ATOM 0 HD23 LEU A 110 1.049 -8.314 3.107 1.00 10.00 H new ATOM 526 N GLY A 111 2.051 -10.208 8.276 1.00 10.00 N ATOM 527 CA GLY A 111 3.007 -11.110 8.902 1.00 10.00 C ATOM 528 C GLY A 111 4.447 -10.613 8.848 1.00 10.00 C ATOM 529 O GLY A 111 5.291 -11.110 9.590 1.00 10.00 O ATOM 0 H GLY A 111 2.247 -9.218 8.424 1.00 10.00 H new ATOM 0 HA2 GLY A 111 2.723 -11.260 9.944 1.00 10.00 H new ATOM 0 HA3 GLY A 111 2.949 -12.082 8.413 1.00 10.00 H new ATOM 533 N GLN A 112 4.729 -9.622 8.000 1.00 10.00 N ATOM 534 CA GLN A 112 6.017 -8.948 7.924 1.00 10.00 C ATOM 535 C GLN A 112 5.827 -7.507 8.423 1.00 10.00 C ATOM 536 O GLN A 112 5.637 -6.608 7.609 1.00 10.00 O ATOM 537 CB GLN A 112 6.648 -9.126 6.521 1.00 10.00 C ATOM 538 CG GLN A 112 5.918 -8.609 5.265 1.00 10.00 C ATOM 539 CD GLN A 112 4.471 -9.040 5.127 1.00 10.00 C ATOM 540 OE1 GLN A 112 4.144 -10.220 5.170 1.00 10.00 O ATOM 541 NE2 GLN A 112 3.586 -8.069 4.962 1.00 10.00 N ATOM 0 H GLN A 112 4.048 -9.260 7.332 1.00 10.00 H new ATOM 0 HA GLN A 112 6.763 -9.395 8.581 1.00 10.00 H new ATOM 0 HB2 GLN A 112 7.627 -8.647 6.545 1.00 10.00 H new ATOM 0 HB3 GLN A 112 6.819 -10.193 6.378 1.00 10.00 H new ATOM 0 HG2 GLN A 112 5.956 -7.520 5.267 1.00 10.00 H new ATOM 0 HG3 GLN A 112 6.465 -8.945 4.384 1.00 10.00 H new ATOM 0 HE21 GLN A 112 3.895 -7.097 4.931 1.00 10.00 H new ATOM 0 HE22 GLN A 112 2.595 -8.293 4.866 1.00 10.00 H new ATOM 550 N PRO A 113 5.797 -7.282 9.753 1.00 10.00 N ATOM 551 CA PRO A 113 5.409 -6.009 10.351 1.00 10.00 C ATOM 552 C PRO A 113 6.519 -4.969 10.214 1.00 10.00 C ATOM 553 O PRO A 113 7.688 -5.299 10.392 1.00 10.00 O ATOM 554 CB PRO A 113 5.152 -6.315 11.831 1.00 10.00 C ATOM 555 CG PRO A 113 6.103 -7.477 12.109 1.00 10.00 C ATOM 556 CD PRO A 113 6.032 -8.264 10.803 1.00 10.00 C ATOM 0 HA PRO A 113 4.532 -5.593 9.856 1.00 10.00 H new ATOM 0 HB2 PRO A 113 5.369 -5.455 12.465 1.00 10.00 H new ATOM 0 HB3 PRO A 113 4.113 -6.591 12.012 1.00 10.00 H new ATOM 0 HG2 PRO A 113 7.115 -7.134 12.324 1.00 10.00 H new ATOM 0 HG3 PRO A 113 5.780 -8.073 12.963 1.00 10.00 H new ATOM 0 HD2 PRO A 113 6.959 -8.810 10.626 1.00 10.00 H new ATOM 0 HD3 PRO A 113 5.229 -9.001 10.835 1.00 10.00 H new ATOM 564 N LEU A 114 6.145 -3.714 9.919 1.00 10.00 N ATOM 565 CA LEU A 114 7.075 -2.612 9.668 1.00 10.00 C ATOM 566 C LEU A 114 8.286 -3.091 8.868 1.00 10.00 C ATOM 567 O LEU A 114 9.432 -2.957 9.300 1.00 10.00 O ATOM 568 CB LEU A 114 7.427 -1.898 10.984 1.00 10.00 C ATOM 569 CG LEU A 114 6.461 -0.739 11.274 1.00 10.00 C ATOM 570 CD1 LEU A 114 4.986 -1.127 11.105 1.00 10.00 C ATOM 571 CD2 LEU A 114 6.723 -0.221 12.690 1.00 10.00 C ATOM 0 H LEU A 114 5.166 -3.436 9.848 1.00 10.00 H new ATOM 0 HA LEU A 114 6.594 -1.862 9.040 1.00 10.00 H new ATOM 0 HB2 LEU A 114 7.396 -2.613 11.806 1.00 10.00 H new ATOM 0 HB3 LEU A 114 8.447 -1.518 10.931 1.00 10.00 H new ATOM 0 HG LEU A 114 6.650 0.044 10.540 1.00 10.00 H new ATOM 0 HD11 LEU A 114 4.356 -0.265 11.324 1.00 10.00 H new ATOM 0 HD12 LEU A 114 4.811 -1.453 10.080 1.00 10.00 H new ATOM 0 HD13 LEU A 114 4.742 -1.938 11.791 1.00 10.00 H new ATOM 0 HD21 LEU A 114 6.043 0.603 12.908 1.00 10.00 H new ATOM 0 HD22 LEU A 114 6.560 -1.025 13.408 1.00 10.00 H new ATOM 0 HD23 LEU A 114 7.753 0.129 12.765 1.00 10.00 H new ATOM 583 N PRO A 115 8.038 -3.640 7.671 1.00 10.00 N ATOM 584 CA PRO A 115 9.094 -4.169 6.848 1.00 10.00 C ATOM 585 C PRO A 115 9.717 -2.980 6.150 1.00 10.00 C ATOM 586 O PRO A 115 9.410 -2.724 4.991 1.00 10.00 O ATOM 587 CB PRO A 115 8.381 -5.095 5.874 1.00 10.00 C ATOM 588 CG PRO A 115 7.027 -4.413 5.643 1.00 10.00 C ATOM 589 CD PRO A 115 6.764 -3.675 6.958 1.00 10.00 C ATOM 0 HA PRO A 115 9.880 -4.710 7.375 1.00 10.00 H new ATOM 0 HB2 PRO A 115 8.938 -5.202 4.944 1.00 10.00 H new ATOM 0 HB3 PRO A 115 8.259 -6.095 6.290 1.00 10.00 H new ATOM 0 HG2 PRO A 115 7.064 -3.725 4.798 1.00 10.00 H new ATOM 0 HG3 PRO A 115 6.244 -5.140 5.428 1.00 10.00 H new ATOM 0 HD2 PRO A 115 6.396 -2.666 6.771 1.00 10.00 H new ATOM 0 HD3 PRO A 115 6.003 -4.188 7.546 1.00 10.00 H new ATOM 597 N GLN A 116 10.524 -2.210 6.878 1.00 10.00 N ATOM 598 CA GLN A 116 10.913 -0.888 6.422 1.00 10.00 C ATOM 599 C GLN A 116 11.470 -0.942 4.999 1.00 10.00 C ATOM 600 O GLN A 116 11.104 -0.104 4.198 1.00 10.00 O ATOM 601 CB GLN A 116 11.852 -0.196 7.420 1.00 10.00 C ATOM 602 CG GLN A 116 11.948 1.316 7.152 1.00 10.00 C ATOM 603 CD GLN A 116 10.613 2.039 7.359 1.00 10.00 C ATOM 604 OE1 GLN A 116 10.007 1.947 8.424 1.00 10.00 O ATOM 605 NE2 GLN A 116 10.118 2.757 6.358 1.00 10.00 N ATOM 0 H GLN A 116 10.916 -2.481 7.780 1.00 10.00 H new ATOM 0 HA GLN A 116 10.021 -0.264 6.380 1.00 10.00 H new ATOM 0 HB2 GLN A 116 11.493 -0.364 8.435 1.00 10.00 H new ATOM 0 HB3 GLN A 116 12.845 -0.641 7.355 1.00 10.00 H new ATOM 0 HG2 GLN A 116 12.698 1.751 7.812 1.00 10.00 H new ATOM 0 HG3 GLN A 116 12.290 1.479 6.130 1.00 10.00 H new ATOM 0 HE21 GLN A 116 10.630 2.826 5.478 1.00 10.00 H new ATOM 0 HE22 GLN A 116 9.226 3.239 6.469 1.00 10.00 H new ATOM 614 N GLU A 117 12.245 -1.972 4.651 1.00 10.00 N ATOM 615 CA GLU A 117 12.691 -2.221 3.280 1.00 10.00 C ATOM 616 C GLU A 117 11.540 -2.409 2.307 1.00 10.00 C ATOM 617 O GLU A 117 11.503 -1.794 1.244 1.00 10.00 O ATOM 618 CB GLU A 117 13.573 -3.473 3.278 1.00 10.00 C ATOM 619 CG GLU A 117 15.007 -3.040 3.545 1.00 10.00 C ATOM 620 CD GLU A 117 15.879 -4.215 3.961 1.00 10.00 C ATOM 621 OE1 GLU A 117 16.450 -4.850 3.050 1.00 10.00 O ATOM 622 OE2 GLU A 117 15.934 -4.465 5.184 1.00 10.00 O ATOM 0 H GLU A 117 12.583 -2.663 5.321 1.00 10.00 H new ATOM 0 HA GLU A 117 13.245 -1.344 2.944 1.00 10.00 H new ATOM 0 HB2 GLU A 117 13.239 -4.175 4.042 1.00 10.00 H new ATOM 0 HB3 GLU A 117 13.503 -3.987 2.319 1.00 10.00 H new ATOM 0 HG2 GLU A 117 15.421 -2.578 2.649 1.00 10.00 H new ATOM 0 HG3 GLU A 117 15.019 -2.282 4.328 1.00 10.00 H new ATOM 629 N GLU A 118 10.632 -3.317 2.640 1.00 10.00 N ATOM 630 CA GLU A 118 9.625 -3.772 1.708 1.00 10.00 C ATOM 631 C GLU A 118 8.637 -2.626 1.480 1.00 10.00 C ATOM 632 O GLU A 118 8.297 -2.294 0.345 1.00 10.00 O ATOM 633 CB GLU A 118 9.023 -5.077 2.249 1.00 10.00 C ATOM 634 CG GLU A 118 8.823 -6.114 1.143 1.00 10.00 C ATOM 635 CD GLU A 118 7.600 -5.809 0.294 1.00 10.00 C ATOM 636 OE1 GLU A 118 6.543 -5.557 0.912 1.00 10.00 O ATOM 637 OE2 GLU A 118 7.740 -5.839 -0.946 1.00 10.00 O ATOM 0 H GLU A 118 10.578 -3.753 3.560 1.00 10.00 H new ATOM 0 HA GLU A 118 10.021 -4.020 0.723 1.00 10.00 H new ATOM 0 HB2 GLU A 118 9.678 -5.488 3.018 1.00 10.00 H new ATOM 0 HB3 GLU A 118 8.066 -4.865 2.726 1.00 10.00 H new ATOM 0 HG2 GLU A 118 9.708 -6.142 0.508 1.00 10.00 H new ATOM 0 HG3 GLU A 118 8.718 -7.104 1.588 1.00 10.00 H new ATOM 644 N LEU A 119 8.253 -1.935 2.560 1.00 10.00 N ATOM 645 CA LEU A 119 7.496 -0.714 2.406 1.00 10.00 C ATOM 646 C LEU A 119 8.316 0.378 1.714 1.00 10.00 C ATOM 647 O LEU A 119 7.785 0.965 0.794 1.00 10.00 O ATOM 648 CB LEU A 119 6.876 -0.261 3.727 1.00 10.00 C ATOM 649 CG LEU A 119 5.392 0.137 3.585 1.00 10.00 C ATOM 650 CD1 LEU A 119 5.126 1.361 2.714 1.00 10.00 C ATOM 651 CD2 LEU A 119 4.525 -1.027 3.096 1.00 10.00 C ATOM 0 H LEU A 119 8.454 -2.202 3.524 1.00 10.00 H new ATOM 0 HA LEU A 119 6.659 -0.925 1.741 1.00 10.00 H new ATOM 0 HB2 LEU A 119 6.964 -1.064 4.459 1.00 10.00 H new ATOM 0 HB3 LEU A 119 7.439 0.587 4.116 1.00 10.00 H new ATOM 0 HG LEU A 119 5.110 0.412 4.601 1.00 10.00 H new ATOM 0 HD11 LEU A 119 4.054 1.557 2.679 1.00 10.00 H new ATOM 0 HD12 LEU A 119 5.639 2.226 3.135 1.00 10.00 H new ATOM 0 HD13 LEU A 119 5.494 1.176 1.705 1.00 10.00 H new ATOM 0 HD21 LEU A 119 3.489 -0.699 3.012 1.00 10.00 H new ATOM 0 HD22 LEU A 119 4.880 -1.361 2.121 1.00 10.00 H new ATOM 0 HD23 LEU A 119 4.588 -1.851 3.807 1.00 10.00 H new ATOM 663 N ASP A 120 9.565 0.672 2.099 1.00 10.00 N ATOM 664 CA ASP A 120 10.413 1.696 1.469 1.00 10.00 C ATOM 665 C ASP A 120 10.428 1.523 -0.048 1.00 10.00 C ATOM 666 O ASP A 120 10.190 2.462 -0.812 1.00 10.00 O ATOM 667 CB ASP A 120 11.856 1.692 2.003 1.00 10.00 C ATOM 668 CG ASP A 120 12.052 2.430 3.328 1.00 10.00 C ATOM 669 OD1 ASP A 120 11.062 2.979 3.864 1.00 10.00 O ATOM 670 OD2 ASP A 120 13.210 2.450 3.795 1.00 10.00 O ATOM 0 H ASP A 120 10.025 0.195 2.874 1.00 10.00 H new ATOM 0 HA ASP A 120 9.973 2.659 1.728 1.00 10.00 H new ATOM 0 HB2 ASP A 120 12.179 0.659 2.128 1.00 10.00 H new ATOM 0 HB3 ASP A 120 12.507 2.141 1.253 1.00 10.00 H new ATOM 675 N ALA A 121 10.692 0.291 -0.475 1.00 10.00 N ATOM 676 CA ALA A 121 10.658 -0.111 -1.866 1.00 10.00 C ATOM 677 C ALA A 121 9.350 0.359 -2.522 1.00 10.00 C ATOM 678 O ALA A 121 9.372 1.055 -3.537 1.00 10.00 O ATOM 679 CB ALA A 121 10.874 -1.627 -1.919 1.00 10.00 C ATOM 0 H ALA A 121 10.941 -0.469 0.158 1.00 10.00 H new ATOM 0 HA ALA A 121 11.453 0.359 -2.444 1.00 10.00 H new ATOM 0 HB1 ALA A 121 10.854 -1.961 -2.956 1.00 10.00 H new ATOM 0 HB2 ALA A 121 11.840 -1.873 -1.477 1.00 10.00 H new ATOM 0 HB3 ALA A 121 10.082 -2.127 -1.361 1.00 10.00 H new ATOM 685 N MET A 122 8.206 0.046 -1.906 1.00 10.00 N ATOM 686 CA MET A 122 6.906 0.492 -2.375 1.00 10.00 C ATOM 687 C MET A 122 6.658 1.994 -2.178 1.00 10.00 C ATOM 688 O MET A 122 5.955 2.600 -2.981 1.00 10.00 O ATOM 689 CB MET A 122 5.821 -0.345 -1.694 1.00 10.00 C ATOM 690 CG MET A 122 5.522 -1.590 -2.532 1.00 10.00 C ATOM 691 SD MET A 122 4.127 -2.562 -1.935 1.00 10.00 S ATOM 692 CE MET A 122 4.961 -3.564 -0.699 1.00 10.00 C ATOM 0 H MET A 122 8.164 -0.528 -1.064 1.00 10.00 H new ATOM 0 HA MET A 122 6.876 0.342 -3.454 1.00 10.00 H new ATOM 0 HB2 MET A 122 6.148 -0.637 -0.696 1.00 10.00 H new ATOM 0 HB3 MET A 122 4.915 0.248 -1.572 1.00 10.00 H new ATOM 0 HG2 MET A 122 5.325 -1.284 -3.559 1.00 10.00 H new ATOM 0 HG3 MET A 122 6.409 -2.223 -2.553 1.00 10.00 H new ATOM 0 HE1 MET A 122 4.406 -4.490 -0.546 1.00 10.00 H new ATOM 0 HE2 MET A 122 5.970 -3.797 -1.040 1.00 10.00 H new ATOM 0 HE3 MET A 122 5.014 -3.014 0.240 1.00 10.00 H new ATOM 702 N ILE A 123 7.214 2.611 -1.135 1.00 10.00 N ATOM 703 CA ILE A 123 7.094 4.033 -0.850 1.00 10.00 C ATOM 704 C ILE A 123 7.626 4.769 -2.076 1.00 10.00 C ATOM 705 O ILE A 123 7.017 5.725 -2.545 1.00 10.00 O ATOM 706 CB ILE A 123 7.850 4.424 0.438 1.00 10.00 C ATOM 707 CG1 ILE A 123 6.920 4.292 1.651 1.00 10.00 C ATOM 708 CG2 ILE A 123 8.408 5.858 0.401 1.00 10.00 C ATOM 709 CD1 ILE A 123 7.673 4.044 2.963 1.00 10.00 C ATOM 0 H ILE A 123 7.778 2.114 -0.445 1.00 10.00 H new ATOM 0 HA ILE A 123 6.055 4.305 -0.664 1.00 10.00 H new ATOM 0 HB ILE A 123 8.696 3.741 0.516 1.00 10.00 H new ATOM 0 HG12 ILE A 123 6.326 5.201 1.746 1.00 10.00 H new ATOM 0 HG13 ILE A 123 6.223 3.472 1.479 1.00 10.00 H new ATOM 0 HG21 ILE A 123 8.928 6.070 1.335 1.00 10.00 H new ATOM 0 HG22 ILE A 123 9.104 5.956 -0.432 1.00 10.00 H new ATOM 0 HG23 ILE A 123 7.588 6.564 0.273 1.00 10.00 H new ATOM 0 HD11 ILE A 123 6.959 3.960 3.782 1.00 10.00 H new ATOM 0 HD12 ILE A 123 8.246 3.120 2.885 1.00 10.00 H new ATOM 0 HD13 ILE A 123 8.351 4.876 3.156 1.00 10.00 H new ATOM 721 N ARG A 124 8.764 4.307 -2.603 1.00 10.00 N ATOM 722 CA ARG A 124 9.343 4.924 -3.781 1.00 10.00 C ATOM 723 C ARG A 124 8.408 4.802 -4.995 1.00 10.00 C ATOM 724 O ARG A 124 8.223 5.775 -5.716 1.00 10.00 O ATOM 725 CB ARG A 124 10.744 4.364 -4.053 1.00 10.00 C ATOM 726 CG ARG A 124 11.546 5.455 -4.769 1.00 10.00 C ATOM 727 CD ARG A 124 12.883 4.952 -5.308 1.00 10.00 C ATOM 728 NE ARG A 124 13.562 6.059 -6.003 1.00 10.00 N ATOM 729 CZ ARG A 124 14.138 6.010 -7.214 1.00 10.00 C ATOM 730 NH1 ARG A 124 14.371 4.835 -7.810 1.00 10.00 N ATOM 731 NH2 ARG A 124 14.480 7.151 -7.826 1.00 10.00 N ATOM 0 H ARG A 124 9.291 3.517 -2.232 1.00 10.00 H new ATOM 0 HA ARG A 124 9.458 5.991 -3.591 1.00 10.00 H new ATOM 0 HB2 ARG A 124 11.231 4.080 -3.120 1.00 10.00 H new ATOM 0 HB3 ARG A 124 10.685 3.466 -4.668 1.00 10.00 H new ATOM 0 HG2 ARG A 124 10.954 5.852 -5.593 1.00 10.00 H new ATOM 0 HG3 ARG A 124 11.725 6.279 -4.079 1.00 10.00 H new ATOM 0 HD2 ARG A 124 13.504 4.582 -4.492 1.00 10.00 H new ATOM 0 HD3 ARG A 124 12.724 4.118 -5.992 1.00 10.00 H new ATOM 0 HE ARG A 124 13.598 6.954 -5.514 1.00 10.00 H new ATOM 0 HH11 ARG A 124 14.110 3.966 -7.344 1.00 10.00 H new ATOM 0 HH12 ARG A 124 14.809 4.808 -8.731 1.00 10.00 H new ATOM 0 HH21 ARG A 124 14.302 8.047 -7.372 1.00 10.00 H new ATOM 0 HH22 ARG A 124 14.918 7.124 -8.747 1.00 10.00 H new ATOM 745 N GLU A 125 7.813 3.623 -5.212 1.00 10.00 N ATOM 746 CA GLU A 125 6.800 3.423 -6.252 1.00 10.00 C ATOM 747 C GLU A 125 5.531 4.253 -5.989 1.00 10.00 C ATOM 748 O GLU A 125 4.794 4.583 -6.915 1.00 10.00 O ATOM 749 CB GLU A 125 6.448 1.930 -6.349 1.00 10.00 C ATOM 750 CG GLU A 125 7.507 1.116 -7.112 1.00 10.00 C ATOM 751 CD GLU A 125 7.288 1.134 -8.624 1.00 10.00 C ATOM 752 OE1 GLU A 125 6.129 0.914 -9.037 1.00 10.00 O ATOM 753 OE2 GLU A 125 8.293 1.340 -9.341 1.00 10.00 O ATOM 0 H GLU A 125 8.021 2.783 -4.672 1.00 10.00 H new ATOM 0 HA GLU A 125 7.219 3.765 -7.198 1.00 10.00 H new ATOM 0 HB2 GLU A 125 6.337 1.522 -5.345 1.00 10.00 H new ATOM 0 HB3 GLU A 125 5.484 1.820 -6.846 1.00 10.00 H new ATOM 0 HG2 GLU A 125 8.497 1.514 -6.888 1.00 10.00 H new ATOM 0 HG3 GLU A 125 7.491 0.085 -6.759 1.00 10.00 H new ATOM 760 N ALA A 126 5.230 4.571 -4.728 1.00 10.00 N ATOM 761 CA ALA A 126 4.020 5.282 -4.331 1.00 10.00 C ATOM 762 C ALA A 126 4.075 6.784 -4.653 1.00 10.00 C ATOM 763 O ALA A 126 3.626 7.598 -3.845 1.00 10.00 O ATOM 764 CB ALA A 126 3.771 5.030 -2.837 1.00 10.00 C ATOM 0 H ALA A 126 5.835 4.335 -3.941 1.00 10.00 H new ATOM 0 HA ALA A 126 3.185 4.895 -4.915 1.00 10.00 H new ATOM 0 HB1 ALA A 126 2.869 5.556 -2.525 1.00 10.00 H new ATOM 0 HB2 ALA A 126 3.646 3.961 -2.664 1.00 10.00 H new ATOM 0 HB3 ALA A 126 4.621 5.394 -2.260 1.00 10.00 H new ATOM 770 N ASP A 127 4.574 7.162 -5.835 1.00 10.00 N ATOM 771 CA ASP A 127 4.698 8.542 -6.280 1.00 10.00 C ATOM 772 C ASP A 127 3.721 8.884 -7.413 1.00 10.00 C ATOM 773 O ASP A 127 3.717 10.014 -7.894 1.00 10.00 O ATOM 774 CB ASP A 127 6.152 8.822 -6.695 1.00 10.00 C ATOM 775 CG ASP A 127 6.564 8.108 -7.978 1.00 10.00 C ATOM 776 OD1 ASP A 127 5.851 7.155 -8.358 1.00 10.00 O ATOM 777 OD2 ASP A 127 7.590 8.530 -8.559 1.00 10.00 O ATOM 0 H ASP A 127 4.911 6.490 -6.525 1.00 10.00 H new ATOM 0 HA ASP A 127 4.432 9.189 -5.444 1.00 10.00 H new ATOM 0 HB2 ASP A 127 6.284 9.896 -6.827 1.00 10.00 H new ATOM 0 HB3 ASP A 127 6.818 8.516 -5.888 1.00 10.00 H new ATOM 782 N VAL A 128 2.875 7.925 -7.806 1.00 10.00 N ATOM 783 CA VAL A 128 1.905 8.001 -8.898 1.00 10.00 C ATOM 784 C VAL A 128 1.232 9.377 -9.014 1.00 10.00 C ATOM 785 O VAL A 128 1.190 9.945 -10.102 1.00 10.00 O ATOM 786 CB VAL A 128 0.880 6.863 -8.722 1.00 10.00 C ATOM 787 CG1 VAL A 128 -0.389 7.038 -9.566 1.00 10.00 C ATOM 788 CG2 VAL A 128 1.516 5.503 -9.045 1.00 10.00 C ATOM 0 H VAL A 128 2.850 7.019 -7.339 1.00 10.00 H new ATOM 0 HA VAL A 128 2.434 7.874 -9.843 1.00 10.00 H new ATOM 0 HB VAL A 128 0.579 6.903 -7.675 1.00 10.00 H new ATOM 0 HG11 VAL A 128 -1.062 6.199 -9.389 1.00 10.00 H new ATOM 0 HG12 VAL A 128 -0.886 7.967 -9.287 1.00 10.00 H new ATOM 0 HG13 VAL A 128 -0.122 7.072 -10.622 1.00 10.00 H new ATOM 0 HG21 VAL A 128 0.775 4.714 -8.914 1.00 10.00 H new ATOM 0 HG22 VAL A 128 1.869 5.502 -10.076 1.00 10.00 H new ATOM 0 HG23 VAL A 128 2.357 5.326 -8.374 1.00 10.00 H new ATOM 798 N ASP A 129 0.672 9.891 -7.914 1.00 10.00 N ATOM 799 CA ASP A 129 0.019 11.201 -7.899 1.00 10.00 C ATOM 800 C ASP A 129 1.055 12.299 -8.172 1.00 10.00 C ATOM 801 O ASP A 129 0.920 13.084 -9.110 1.00 10.00 O ATOM 802 CB ASP A 129 -0.641 11.364 -6.526 1.00 10.00 C ATOM 803 CG ASP A 129 -1.422 12.650 -6.252 1.00 10.00 C ATOM 804 OD1 ASP A 129 -1.560 13.467 -7.183 1.00 10.00 O ATOM 805 OD2 ASP A 129 -1.884 12.795 -5.090 1.00 10.00 O ATOM 0 H ASP A 129 0.659 9.412 -7.014 1.00 10.00 H new ATOM 0 HA ASP A 129 -0.740 11.281 -8.677 1.00 10.00 H new ATOM 0 HB2 ASP A 129 -1.320 10.524 -6.380 1.00 10.00 H new ATOM 0 HB3 ASP A 129 0.138 11.279 -5.769 1.00 10.00 H new ATOM 810 N GLN A 130 2.113 12.326 -7.353 1.00 10.00 N ATOM 811 CA GLN A 130 3.223 13.266 -7.467 1.00 10.00 C ATOM 812 C GLN A 130 4.394 12.801 -6.587 1.00 10.00 C ATOM 813 O GLN A 130 5.525 12.703 -7.058 1.00 10.00 O ATOM 814 CB GLN A 130 2.745 14.686 -7.101 1.00 10.00 C ATOM 815 CG GLN A 130 3.481 15.783 -7.884 1.00 10.00 C ATOM 816 CD GLN A 130 4.905 16.042 -7.399 1.00 10.00 C ATOM 817 OE1 GLN A 130 5.235 15.810 -6.243 1.00 10.00 O ATOM 818 NE2 GLN A 130 5.756 16.572 -8.273 1.00 10.00 N ATOM 0 H GLN A 130 2.219 11.676 -6.574 1.00 10.00 H new ATOM 0 HA GLN A 130 3.581 13.296 -8.496 1.00 10.00 H new ATOM 0 HB2 GLN A 130 1.675 14.765 -7.293 1.00 10.00 H new ATOM 0 HB3 GLN A 130 2.890 14.849 -6.033 1.00 10.00 H new ATOM 0 HG2 GLN A 130 3.512 15.505 -8.937 1.00 10.00 H new ATOM 0 HG3 GLN A 130 2.910 16.709 -7.815 1.00 10.00 H new ATOM 0 HE21 GLN A 130 5.456 16.755 -9.230 1.00 10.00 H new ATOM 0 HE22 GLN A 130 6.709 16.795 -7.986 1.00 10.00 H new ATOM 827 N ASP A 131 4.096 12.510 -5.317 1.00 10.00 N ATOM 828 CA ASP A 131 4.961 11.877 -4.328 1.00 10.00 C ATOM 829 C ASP A 131 4.014 11.348 -3.246 1.00 10.00 C ATOM 830 O ASP A 131 2.877 11.812 -3.193 1.00 10.00 O ATOM 831 CB ASP A 131 5.929 12.923 -3.746 1.00 10.00 C ATOM 832 CG ASP A 131 6.744 12.400 -2.569 1.00 10.00 C ATOM 833 OD1 ASP A 131 7.013 11.178 -2.554 1.00 10.00 O ATOM 834 OD2 ASP A 131 7.059 13.226 -1.687 1.00 10.00 O ATOM 0 H ASP A 131 3.178 12.728 -4.930 1.00 10.00 H new ATOM 0 HA ASP A 131 5.568 11.077 -4.751 1.00 10.00 H new ATOM 0 HB2 ASP A 131 6.609 13.255 -4.531 1.00 10.00 H new ATOM 0 HB3 ASP A 131 5.360 13.796 -3.426 1.00 10.00 H new ATOM 839 N GLY A 132 4.483 10.458 -2.371 1.00 10.00 N ATOM 840 CA GLY A 132 3.751 9.761 -1.313 1.00 10.00 C ATOM 841 C GLY A 132 2.232 9.661 -1.498 1.00 10.00 C ATOM 842 O GLY A 132 1.494 9.902 -0.544 1.00 10.00 O ATOM 0 H GLY A 132 5.465 10.184 -2.385 1.00 10.00 H new ATOM 0 HA2 GLY A 132 4.153 8.752 -1.225 1.00 10.00 H new ATOM 0 HA3 GLY A 132 3.949 10.267 -0.368 1.00 10.00 H new ATOM 846 N ARG A 133 1.753 9.286 -2.690 1.00 10.00 N ATOM 847 CA ARG A 133 0.341 9.305 -3.040 1.00 10.00 C ATOM 848 C ARG A 133 0.114 8.407 -4.250 1.00 10.00 C ATOM 849 O ARG A 133 0.824 8.496 -5.255 1.00 10.00 O ATOM 850 CB ARG A 133 -0.116 10.717 -3.400 1.00 10.00 C ATOM 851 CG ARG A 133 -0.757 11.541 -2.293 1.00 10.00 C ATOM 852 CD ARG A 133 -2.227 11.129 -2.197 1.00 10.00 C ATOM 853 NE ARG A 133 -2.966 12.038 -1.323 1.00 10.00 N ATOM 854 CZ ARG A 133 -3.337 13.278 -1.682 1.00 10.00 C ATOM 855 NH1 ARG A 133 -3.092 13.750 -2.915 1.00 10.00 N ATOM 856 NH2 ARG A 133 -3.956 14.049 -0.780 1.00 10.00 N ATOM 0 H ARG A 133 2.352 8.956 -3.447 1.00 10.00 H new ATOM 0 HA ARG A 133 -0.228 8.954 -2.180 1.00 10.00 H new ATOM 0 HB2 ARG A 133 0.747 11.267 -3.774 1.00 10.00 H new ATOM 0 HB3 ARG A 133 -0.828 10.643 -4.222 1.00 10.00 H new ATOM 0 HG2 ARG A 133 -0.249 11.368 -1.344 1.00 10.00 H new ATOM 0 HG3 ARG A 133 -0.672 12.606 -2.511 1.00 10.00 H new ATOM 0 HD2 ARG A 133 -2.675 11.129 -3.191 1.00 10.00 H new ATOM 0 HD3 ARG A 133 -2.300 10.111 -1.815 1.00 10.00 H new ATOM 0 HE ARG A 133 -3.214 11.713 -0.389 1.00 10.00 H new ATOM 0 HH11 ARG A 133 -2.615 13.164 -3.600 1.00 10.00 H new ATOM 0 HH12 ARG A 133 -3.383 14.695 -3.166 1.00 10.00 H new ATOM 0 HH21 ARG A 133 -4.137 13.692 0.158 1.00 10.00 H new ATOM 0 HH22 ARG A 133 -4.247 14.994 -1.031 1.00 10.00 H new ATOM 870 N VAL A 134 -0.890 7.539 -4.125 1.00 10.00 N ATOM 871 CA VAL A 134 -1.103 6.401 -4.989 1.00 10.00 C ATOM 872 C VAL A 134 -2.602 6.199 -5.184 1.00 10.00 C ATOM 873 O VAL A 134 -3.343 6.159 -4.198 1.00 10.00 O ATOM 874 CB VAL A 134 -0.486 5.153 -4.327 1.00 10.00 C ATOM 875 CG1 VAL A 134 0.303 4.326 -5.333 1.00 10.00 C ATOM 876 CG2 VAL A 134 0.485 5.469 -3.184 1.00 10.00 C ATOM 0 H VAL A 134 -1.595 7.620 -3.392 1.00 10.00 H new ATOM 0 HA VAL A 134 -0.634 6.567 -5.959 1.00 10.00 H new ATOM 0 HB VAL A 134 -1.346 4.612 -3.933 1.00 10.00 H new ATOM 0 HG11 VAL A 134 0.725 3.453 -4.835 1.00 10.00 H new ATOM 0 HG12 VAL A 134 -0.359 4.001 -6.136 1.00 10.00 H new ATOM 0 HG13 VAL A 134 1.108 4.931 -5.750 1.00 10.00 H new ATOM 0 HG21 VAL A 134 0.876 4.539 -2.771 1.00 10.00 H new ATOM 0 HG22 VAL A 134 1.310 6.072 -3.563 1.00 10.00 H new ATOM 0 HG23 VAL A 134 -0.039 6.021 -2.404 1.00 10.00 H new ATOM 886 N ASN A 135 -3.046 6.023 -6.434 1.00 10.00 N ATOM 887 CA ASN A 135 -4.353 5.433 -6.688 1.00 10.00 C ATOM 888 C ASN A 135 -4.312 4.020 -6.117 1.00 10.00 C ATOM 889 O ASN A 135 -3.749 3.115 -6.735 1.00 10.00 O ATOM 890 CB ASN A 135 -4.682 5.420 -8.186 1.00 10.00 C ATOM 891 CG ASN A 135 -5.997 4.694 -8.482 1.00 10.00 C ATOM 892 OD1 ASN A 135 -6.668 4.185 -7.586 1.00 10.00 O ATOM 893 ND2 ASN A 135 -6.381 4.637 -9.752 1.00 10.00 N ATOM 0 H ASN A 135 -2.523 6.279 -7.271 1.00 10.00 H new ATOM 0 HA ASN A 135 -5.139 6.020 -6.214 1.00 10.00 H new ATOM 0 HB2 ASN A 135 -4.744 6.445 -8.552 1.00 10.00 H new ATOM 0 HB3 ASN A 135 -3.871 4.936 -8.730 1.00 10.00 H new ATOM 0 HD21 ASN A 135 -7.249 4.164 -10.001 1.00 10.00 H new ATOM 0 HD22 ASN A 135 -5.808 5.067 -10.478 1.00 10.00 H new ATOM 900 N TYR A 136 -4.869 3.860 -4.916 1.00 10.00 N ATOM 901 CA TYR A 136 -4.815 2.629 -4.147 1.00 10.00 C ATOM 902 C TYR A 136 -5.203 1.398 -4.989 1.00 10.00 C ATOM 903 O TYR A 136 -4.616 0.329 -4.825 1.00 10.00 O ATOM 904 CB TYR A 136 -5.565 2.789 -2.820 1.00 10.00 C ATOM 905 CG TYR A 136 -6.734 1.867 -2.703 1.00 10.00 C ATOM 906 CD1 TYR A 136 -7.862 2.140 -3.477 1.00 10.00 C ATOM 907 CD2 TYR A 136 -6.547 0.590 -2.160 1.00 10.00 C ATOM 908 CE1 TYR A 136 -8.849 1.167 -3.651 1.00 10.00 C ATOM 909 CE2 TYR A 136 -7.503 -0.409 -2.376 1.00 10.00 C ATOM 910 CZ TYR A 136 -8.683 -0.110 -3.078 1.00 10.00 C ATOM 911 OH TYR A 136 -9.600 -1.096 -3.278 1.00 10.00 O ATOM 0 H TYR A 136 -5.382 4.605 -4.445 1.00 10.00 H new ATOM 0 HA TYR A 136 -3.781 2.426 -3.868 1.00 10.00 H new ATOM 0 HB2 TYR A 136 -4.878 2.604 -1.994 1.00 10.00 H new ATOM 0 HB3 TYR A 136 -5.909 3.819 -2.724 1.00 10.00 H new ATOM 0 HD1 TYR A 136 -7.973 3.108 -3.944 1.00 10.00 H new ATOM 0 HD2 TYR A 136 -5.665 0.376 -1.575 1.00 10.00 H new ATOM 0 HE1 TYR A 136 -9.737 1.393 -4.223 1.00 10.00 H new ATOM 0 HE2 TYR A 136 -7.334 -1.409 -2.004 1.00 10.00 H new ATOM 0 HH TYR A 136 -9.317 -1.907 -2.806 1.00 10.00 H new ATOM 921 N GLU A 137 -6.180 1.556 -5.893 1.00 10.00 N ATOM 922 CA GLU A 137 -6.693 0.468 -6.710 1.00 10.00 C ATOM 923 C GLU A 137 -5.615 0.085 -7.724 1.00 10.00 C ATOM 924 O GLU A 137 -4.989 -0.966 -7.599 1.00 10.00 O ATOM 925 CB GLU A 137 -8.033 0.902 -7.335 1.00 10.00 C ATOM 926 CG GLU A 137 -8.789 -0.244 -8.027 1.00 10.00 C ATOM 927 CD GLU A 137 -8.185 -0.641 -9.367 1.00 10.00 C ATOM 928 OE1 GLU A 137 -7.879 0.289 -10.144 1.00 10.00 O ATOM 929 OE2 GLU A 137 -8.036 -1.861 -9.588 1.00 10.00 O ATOM 0 H GLU A 137 -6.634 2.452 -6.073 1.00 10.00 H new ATOM 0 HA GLU A 137 -6.909 -0.427 -6.127 1.00 10.00 H new ATOM 0 HB2 GLU A 137 -8.667 1.326 -6.556 1.00 10.00 H new ATOM 0 HB3 GLU A 137 -7.846 1.694 -8.061 1.00 10.00 H new ATOM 0 HG2 GLU A 137 -8.799 -1.113 -7.369 1.00 10.00 H new ATOM 0 HG3 GLU A 137 -9.827 0.053 -8.178 1.00 10.00 H new ATOM 936 N GLU A 138 -5.347 0.982 -8.676 1.00 10.00 N ATOM 937 CA GLU A 138 -4.360 0.815 -9.736 1.00 10.00 C ATOM 938 C GLU A 138 -3.046 0.274 -9.169 1.00 10.00 C ATOM 939 O GLU A 138 -2.449 -0.656 -9.715 1.00 10.00 O ATOM 940 CB GLU A 138 -4.156 2.178 -10.403 1.00 10.00 C ATOM 941 CG GLU A 138 -3.443 2.128 -11.757 1.00 10.00 C ATOM 942 CD GLU A 138 -3.165 3.538 -12.269 1.00 10.00 C ATOM 943 OE1 GLU A 138 -3.878 4.465 -11.813 1.00 10.00 O ATOM 944 OE2 GLU A 138 -2.239 3.657 -13.099 1.00 10.00 O ATOM 0 H GLU A 138 -5.832 1.878 -8.728 1.00 10.00 H new ATOM 0 HA GLU A 138 -4.710 0.091 -10.472 1.00 10.00 H new ATOM 0 HB2 GLU A 138 -5.129 2.651 -10.537 1.00 10.00 H new ATOM 0 HB3 GLU A 138 -3.583 2.815 -9.729 1.00 10.00 H new ATOM 0 HG2 GLU A 138 -2.506 1.579 -11.661 1.00 10.00 H new ATOM 0 HG3 GLU A 138 -4.057 1.588 -12.478 1.00 10.00 H new ATOM 951 N PHE A 139 -2.615 0.846 -8.041 1.00 10.00 N ATOM 952 CA PHE A 139 -1.404 0.450 -7.344 1.00 10.00 C ATOM 953 C PHE A 139 -1.291 -1.055 -7.149 1.00 10.00 C ATOM 954 O PHE A 139 -0.210 -1.612 -7.307 1.00 10.00 O ATOM 955 CB PHE A 139 -1.325 1.137 -5.985 1.00 10.00 C ATOM 956 CG PHE A 139 -0.041 0.823 -5.246 1.00 10.00 C ATOM 957 CD1 PHE A 139 1.202 1.151 -5.821 1.00 10.00 C ATOM 958 CD2 PHE A 139 -0.084 0.078 -4.054 1.00 10.00 C ATOM 959 CE1 PHE A 139 2.394 0.833 -5.152 1.00 10.00 C ATOM 960 CE2 PHE A 139 1.110 -0.262 -3.397 1.00 10.00 C ATOM 961 CZ PHE A 139 2.342 0.134 -3.936 1.00 10.00 C ATOM 0 H PHE A 139 -3.112 1.611 -7.584 1.00 10.00 H new ATOM 0 HA PHE A 139 -0.573 0.762 -7.977 1.00 10.00 H new ATOM 0 HB2 PHE A 139 -1.406 2.215 -6.122 1.00 10.00 H new ATOM 0 HB3 PHE A 139 -2.175 0.828 -5.376 1.00 10.00 H new ATOM 0 HD1 PHE A 139 1.238 1.648 -6.779 1.00 10.00 H new ATOM 0 HD2 PHE A 139 -1.034 -0.232 -3.644 1.00 10.00 H new ATOM 0 HE1 PHE A 139 3.346 1.125 -5.571 1.00 10.00 H new ATOM 0 HE2 PHE A 139 1.079 -0.828 -2.478 1.00 10.00 H new ATOM 0 HZ PHE A 139 3.257 -0.100 -3.412 1.00 10.00 H new ATOM 971 N ALA A 140 -2.394 -1.725 -6.821 1.00 10.00 N ATOM 972 CA ALA A 140 -2.417 -3.167 -6.647 1.00 10.00 C ATOM 973 C ALA A 140 -1.752 -3.882 -7.836 1.00 10.00 C ATOM 974 O ALA A 140 -1.022 -4.860 -7.663 1.00 10.00 O ATOM 975 CB ALA A 140 -3.869 -3.592 -6.490 1.00 10.00 C ATOM 0 H ALA A 140 -3.298 -1.277 -6.669 1.00 10.00 H new ATOM 0 HA ALA A 140 -1.848 -3.446 -5.760 1.00 10.00 H new ATOM 0 HB1 ALA A 140 -3.919 -4.673 -6.357 1.00 10.00 H new ATOM 0 HB2 ALA A 140 -4.300 -3.099 -5.619 1.00 10.00 H new ATOM 0 HB3 ALA A 140 -4.429 -3.309 -7.381 1.00 10.00 H new ATOM 981 N ARG A 141 -1.979 -3.360 -9.046 1.00 10.00 N ATOM 982 CA ARG A 141 -1.401 -3.877 -10.278 1.00 10.00 C ATOM 983 C ARG A 141 0.126 -3.715 -10.269 1.00 10.00 C ATOM 984 O ARG A 141 0.834 -4.586 -10.764 1.00 10.00 O ATOM 985 CB ARG A 141 -2.066 -3.186 -11.486 1.00 10.00 C ATOM 986 CG ARG A 141 -2.341 -4.130 -12.668 1.00 10.00 C ATOM 987 CD ARG A 141 -1.093 -4.539 -13.459 1.00 10.00 C ATOM 988 NE ARG A 141 -0.546 -3.408 -14.225 1.00 10.00 N ATOM 989 CZ ARG A 141 0.618 -3.426 -14.896 1.00 10.00 C ATOM 990 NH1 ARG A 141 1.501 -4.408 -14.682 1.00 10.00 N ATOM 991 NH2 ARG A 141 0.889 -2.460 -15.782 1.00 10.00 N ATOM 0 H ARG A 141 -2.582 -2.551 -9.193 1.00 10.00 H new ATOM 0 HA ARG A 141 -1.597 -4.946 -10.359 1.00 10.00 H new ATOM 0 HB2 ARG A 141 -3.006 -2.739 -11.164 1.00 10.00 H new ATOM 0 HB3 ARG A 141 -1.425 -2.372 -11.825 1.00 10.00 H new ATOM 0 HG2 ARG A 141 -2.828 -5.030 -12.292 1.00 10.00 H new ATOM 0 HG3 ARG A 141 -3.044 -3.647 -13.347 1.00 10.00 H new ATOM 0 HD2 ARG A 141 -0.334 -4.917 -12.774 1.00 10.00 H new ATOM 0 HD3 ARG A 141 -1.342 -5.354 -14.139 1.00 10.00 H new ATOM 0 HE ARG A 141 -1.091 -2.546 -14.248 1.00 10.00 H new ATOM 0 HH11 ARG A 141 1.291 -5.145 -14.009 1.00 10.00 H new ATOM 0 HH12 ARG A 141 2.384 -4.420 -15.192 1.00 10.00 H new ATOM 0 HH21 ARG A 141 0.213 -1.714 -15.946 1.00 10.00 H new ATOM 0 HH22 ARG A 141 1.771 -2.470 -16.293 1.00 10.00 H new ATOM 1005 N MET A 142 0.652 -2.622 -9.708 1.00 10.00 N ATOM 1006 CA MET A 142 2.092 -2.489 -9.514 1.00 10.00 C ATOM 1007 C MET A 142 2.563 -3.386 -8.369 1.00 10.00 C ATOM 1008 O MET A 142 3.675 -3.892 -8.408 1.00 10.00 O ATOM 1009 CB MET A 142 2.510 -1.050 -9.212 1.00 10.00 C ATOM 1010 CG MET A 142 2.073 0.030 -10.209 1.00 10.00 C ATOM 1011 SD MET A 142 2.830 -0.015 -11.854 1.00 10.00 S ATOM 1012 CE MET A 142 1.682 -1.078 -12.748 1.00 10.00 C ATOM 0 H MET A 142 0.105 -1.825 -9.384 1.00 10.00 H new ATOM 0 HA MET A 142 2.559 -2.793 -10.451 1.00 10.00 H new ATOM 0 HB2 MET A 142 2.117 -0.783 -8.231 1.00 10.00 H new ATOM 0 HB3 MET A 142 3.597 -1.022 -9.139 1.00 10.00 H new ATOM 0 HG2 MET A 142 0.992 -0.039 -10.331 1.00 10.00 H new ATOM 0 HG3 MET A 142 2.282 1.004 -9.766 1.00 10.00 H new ATOM 0 HE1 MET A 142 1.723 -0.844 -13.812 1.00 10.00 H new ATOM 0 HE2 MET A 142 1.958 -2.121 -12.595 1.00 10.00 H new ATOM 0 HE3 MET A 142 0.670 -0.912 -12.379 1.00 10.00 H new ATOM 1022 N LEU A 143 1.749 -3.580 -7.331 1.00 10.00 N ATOM 1023 CA LEU A 143 2.093 -4.479 -6.245 1.00 10.00 C ATOM 1024 C LEU A 143 2.399 -5.861 -6.809 1.00 10.00 C ATOM 1025 O LEU A 143 3.475 -6.408 -6.576 1.00 10.00 O ATOM 1026 CB LEU A 143 0.974 -4.491 -5.191 1.00 10.00 C ATOM 1027 CG LEU A 143 1.506 -3.995 -3.859 1.00 10.00 C ATOM 1028 CD1 LEU A 143 0.253 -3.735 -3.037 1.00 10.00 C ATOM 1029 CD2 LEU A 143 2.411 -5.080 -3.267 1.00 10.00 C ATOM 0 H LEU A 143 0.844 -3.121 -7.225 1.00 10.00 H new ATOM 0 HA LEU A 143 2.992 -4.132 -5.736 1.00 10.00 H new ATOM 0 HB2 LEU A 143 0.148 -3.860 -5.519 1.00 10.00 H new ATOM 0 HB3 LEU A 143 0.579 -5.501 -5.080 1.00 10.00 H new ATOM 0 HG LEU A 143 2.115 -3.093 -3.910 1.00 10.00 H new ATOM 0 HD11 LEU A 143 0.535 -3.370 -2.049 1.00 10.00 H new ATOM 0 HD12 LEU A 143 -0.362 -2.987 -3.538 1.00 10.00 H new ATOM 0 HD13 LEU A 143 -0.313 -4.661 -2.934 1.00 10.00 H new ATOM 0 HD21 LEU A 143 2.804 -4.743 -2.308 1.00 10.00 H new ATOM 0 HD22 LEU A 143 1.836 -5.994 -3.122 1.00 10.00 H new ATOM 0 HD23 LEU A 143 3.238 -5.276 -3.949 1.00 10.00 H new ATOM 1041 N ALA A 144 1.495 -6.396 -7.631 1.00 10.00 N ATOM 1042 CA ALA A 144 1.825 -7.558 -8.447 1.00 10.00 C ATOM 1043 C ALA A 144 2.505 -7.135 -9.746 1.00 10.00 C ATOM 1044 O ALA A 144 2.004 -7.315 -10.859 1.00 10.00 O ATOM 1045 CB ALA A 144 0.596 -8.382 -8.703 1.00 10.00 C ATOM 0 H ALA A 144 0.543 -6.048 -7.747 1.00 10.00 H new ATOM 0 HA ALA A 144 2.534 -8.180 -7.900 1.00 10.00 H new ATOM 0 HB1 ALA A 144 0.858 -9.246 -9.314 1.00 10.00 H new ATOM 0 HB2 ALA A 144 0.181 -8.721 -7.754 1.00 10.00 H new ATOM 0 HB3 ALA A 144 -0.144 -7.778 -9.228 1.00 10.00 H new