USER MOD reduce.3.24.130724 H: found=0, std=0, add=466, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 467 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 147 TYR OH : rot 30:sc= 0 USER MOD Set 1.2: A 172 HIS : no HD1:sc= -0.139 X(o=-0.14,f=-0.23) USER MOD Single : A 131 GLN : amide:sc= 0 K(o=0,f=-1.6!) USER MOD Single : A 139 THR OG1 : rot 180:sc= 0.037 USER MOD Single : A 141 GLN : amide:sc= 0 K(o=0,f=-1.3!) USER MOD Single : A 144 TYR OH : rot 180:sc= 0 USER MOD Single : A 153 CYS SG : rot 82:sc= -0.444! USER MOD Single : A 154 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 156 THR OG1 : rot 180:sc= 0 USER MOD Single : A 159 TYR OH : rot 180:sc= 0 USER MOD Single : A 160 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 162 THR OG1 : rot 180:sc= 0.0287 USER MOD Single : A 164 MET CE :methyl 153:sc= -0.17 (180deg=-1.42!) USER MOD Single : A 170 SER OG : rot 180:sc= 0 USER MOD Single : A 171 GLN : amide:sc= 0 X(o=0,f=-0.25) USER MOD Single : A 191 SER OG : rot -29:sc= 0.427 USER MOD ----------------------------------------------------------------- ATOM 58 N GLY A 123 -0.525 -11.837 -22.212 1.00 0.00 N ATOM 59 CA GLY A 123 0.635 -12.637 -21.829 1.00 0.00 C ATOM 60 C GLY A 123 0.581 -13.006 -20.347 1.00 0.00 C ATOM 61 O GLY A 123 -0.097 -12.348 -19.557 1.00 0.00 O ATOM 0 HA2 GLY A 123 0.671 -13.544 -22.432 1.00 0.00 H new ATOM 0 HA3 GLY A 123 1.549 -12.081 -22.036 1.00 0.00 H new ATOM 65 N PRO A 124 1.280 -14.042 -19.963 1.00 0.00 N ATOM 66 CA PRO A 124 1.321 -14.508 -18.543 1.00 0.00 C ATOM 67 C PRO A 124 1.966 -13.470 -17.626 1.00 0.00 C ATOM 68 O PRO A 124 1.612 -13.362 -16.451 1.00 0.00 O ATOM 69 CB PRO A 124 2.162 -15.798 -18.606 1.00 0.00 C ATOM 70 CG PRO A 124 2.971 -15.680 -19.862 1.00 0.00 C ATOM 71 CD PRO A 124 2.116 -14.877 -20.837 1.00 0.00 C ATOM 0 HA PRO A 124 0.326 -14.671 -18.130 1.00 0.00 H new ATOM 0 HB2 PRO A 124 2.805 -15.892 -17.731 1.00 0.00 H new ATOM 0 HB3 PRO A 124 1.525 -16.682 -18.630 1.00 0.00 H new ATOM 0 HG2 PRO A 124 3.919 -15.178 -19.670 1.00 0.00 H new ATOM 0 HG3 PRO A 124 3.207 -16.664 -20.268 1.00 0.00 H new ATOM 0 HD2 PRO A 124 2.730 -14.270 -21.502 1.00 0.00 H new ATOM 0 HD3 PRO A 124 1.510 -15.528 -21.468 1.00 0.00 H new ATOM 79 N GLU A 125 2.913 -12.716 -18.169 1.00 0.00 N ATOM 80 CA GLU A 125 3.602 -11.699 -17.384 1.00 0.00 C ATOM 81 C GLU A 125 2.593 -10.754 -16.742 1.00 0.00 C ATOM 82 O GLU A 125 2.653 -10.486 -15.544 1.00 0.00 O ATOM 83 CB GLU A 125 4.554 -10.908 -18.284 1.00 0.00 C ATOM 84 CG GLU A 125 5.708 -11.809 -18.731 1.00 0.00 C ATOM 85 CD GLU A 125 6.614 -11.053 -19.697 1.00 0.00 C ATOM 86 OE1 GLU A 125 6.298 -9.916 -20.008 1.00 0.00 O ATOM 87 OE2 GLU A 125 7.609 -11.623 -20.114 1.00 0.00 O ATOM 0 H GLU A 125 3.220 -12.787 -19.139 1.00 0.00 H new ATOM 0 HA GLU A 125 4.174 -12.189 -16.596 1.00 0.00 H new ATOM 0 HB2 GLU A 125 4.017 -10.529 -19.154 1.00 0.00 H new ATOM 0 HB3 GLU A 125 4.942 -10.042 -17.747 1.00 0.00 H new ATOM 0 HG2 GLU A 125 6.281 -12.138 -17.864 1.00 0.00 H new ATOM 0 HG3 GLU A 125 5.316 -12.705 -19.212 1.00 0.00 H new ATOM 94 N GLU A 126 1.661 -10.265 -17.549 1.00 0.00 N ATOM 95 CA GLU A 126 0.634 -9.357 -17.048 1.00 0.00 C ATOM 96 C GLU A 126 -0.196 -10.056 -15.981 1.00 0.00 C ATOM 97 O GLU A 126 -0.477 -9.491 -14.926 1.00 0.00 O ATOM 98 CB GLU A 126 -0.273 -8.908 -18.196 1.00 0.00 C ATOM 99 CG GLU A 126 0.550 -8.112 -19.212 1.00 0.00 C ATOM 100 CD GLU A 126 1.032 -6.807 -18.590 1.00 0.00 C ATOM 101 OE1 GLU A 126 0.198 -6.065 -18.099 1.00 0.00 O ATOM 102 OE2 GLU A 126 2.228 -6.565 -18.620 1.00 0.00 O ATOM 0 H GLU A 126 1.593 -10.478 -18.544 1.00 0.00 H new ATOM 0 HA GLU A 126 1.116 -8.482 -16.612 1.00 0.00 H new ATOM 0 HB2 GLU A 126 -0.725 -9.775 -18.677 1.00 0.00 H new ATOM 0 HB3 GLU A 126 -1.088 -8.295 -17.812 1.00 0.00 H new ATOM 0 HG2 GLU A 126 1.404 -8.703 -19.543 1.00 0.00 H new ATOM 0 HG3 GLU A 126 -0.053 -7.902 -20.095 1.00 0.00 H new ATOM 109 N LEU A 127 -0.592 -11.290 -16.263 1.00 0.00 N ATOM 110 CA LEU A 127 -1.396 -12.048 -15.315 1.00 0.00 C ATOM 111 C LEU A 127 -0.665 -12.169 -13.985 1.00 0.00 C ATOM 112 O LEU A 127 -1.264 -12.012 -12.920 1.00 0.00 O ATOM 113 CB LEU A 127 -1.679 -13.452 -15.872 1.00 0.00 C ATOM 114 CG LEU A 127 -2.425 -14.293 -14.822 1.00 0.00 C ATOM 115 CD1 LEU A 127 -3.705 -13.569 -14.398 1.00 0.00 C ATOM 116 CD2 LEU A 127 -2.781 -15.655 -15.425 1.00 0.00 C ATOM 0 H LEU A 127 -0.373 -11.782 -17.129 1.00 0.00 H new ATOM 0 HA LEU A 127 -2.338 -11.523 -15.159 1.00 0.00 H new ATOM 0 HB2 LEU A 127 -2.275 -13.378 -16.782 1.00 0.00 H new ATOM 0 HB3 LEU A 127 -0.743 -13.940 -16.143 1.00 0.00 H new ATOM 0 HG LEU A 127 -1.788 -14.435 -13.949 1.00 0.00 H new ATOM 0 HD11 LEU A 127 -4.232 -14.167 -13.654 1.00 0.00 H new ATOM 0 HD12 LEU A 127 -3.450 -12.600 -13.970 1.00 0.00 H new ATOM 0 HD13 LEU A 127 -4.346 -13.424 -15.267 1.00 0.00 H new ATOM 0 HD21 LEU A 127 -3.310 -16.254 -14.684 1.00 0.00 H new ATOM 0 HD22 LEU A 127 -3.419 -15.511 -16.297 1.00 0.00 H new ATOM 0 HD23 LEU A 127 -1.868 -16.170 -15.724 1.00 0.00 H new ATOM 128 N GLU A 128 0.626 -12.452 -14.053 1.00 0.00 N ATOM 129 CA GLU A 128 1.429 -12.593 -12.846 1.00 0.00 C ATOM 130 C GLU A 128 1.444 -11.284 -12.065 1.00 0.00 C ATOM 131 O GLU A 128 1.470 -11.284 -10.834 1.00 0.00 O ATOM 132 CB GLU A 128 2.865 -12.997 -13.220 1.00 0.00 C ATOM 133 CG GLU A 128 2.951 -14.515 -13.393 1.00 0.00 C ATOM 134 CD GLU A 128 1.935 -14.980 -14.429 1.00 0.00 C ATOM 135 OE1 GLU A 128 0.751 -14.903 -14.141 1.00 0.00 O ATOM 136 OE2 GLU A 128 2.353 -15.401 -15.492 1.00 0.00 O ATOM 0 H GLU A 128 1.139 -12.588 -14.924 1.00 0.00 H new ATOM 0 HA GLU A 128 0.990 -13.369 -12.219 1.00 0.00 H new ATOM 0 HB2 GLU A 128 3.163 -12.500 -14.143 1.00 0.00 H new ATOM 0 HB3 GLU A 128 3.558 -12.671 -12.444 1.00 0.00 H new ATOM 0 HG2 GLU A 128 3.956 -14.797 -13.705 1.00 0.00 H new ATOM 0 HG3 GLU A 128 2.763 -15.009 -12.440 1.00 0.00 H new ATOM 143 N GLU A 129 1.428 -10.173 -12.788 1.00 0.00 N ATOM 144 CA GLU A 129 1.444 -8.864 -12.149 1.00 0.00 C ATOM 145 C GLU A 129 0.190 -8.677 -11.308 1.00 0.00 C ATOM 146 O GLU A 129 0.246 -8.146 -10.199 1.00 0.00 O ATOM 147 CB GLU A 129 1.531 -7.762 -13.209 1.00 0.00 C ATOM 148 CG GLU A 129 1.652 -6.401 -12.524 1.00 0.00 C ATOM 149 CD GLU A 129 1.830 -5.307 -13.570 1.00 0.00 C ATOM 150 OE1 GLU A 129 1.610 -5.588 -14.737 1.00 0.00 O ATOM 151 OE2 GLU A 129 2.187 -4.206 -13.190 1.00 0.00 O ATOM 0 H GLU A 129 1.404 -10.150 -13.807 1.00 0.00 H new ATOM 0 HA GLU A 129 2.318 -8.801 -11.500 1.00 0.00 H new ATOM 0 HB2 GLU A 129 2.391 -7.933 -13.856 1.00 0.00 H new ATOM 0 HB3 GLU A 129 0.645 -7.783 -13.844 1.00 0.00 H new ATOM 0 HG2 GLU A 129 0.761 -6.204 -11.927 1.00 0.00 H new ATOM 0 HG3 GLU A 129 2.500 -6.403 -11.839 1.00 0.00 H new ATOM 158 N LEU A 130 -0.939 -9.127 -11.839 1.00 0.00 N ATOM 159 CA LEU A 130 -2.206 -9.017 -11.128 1.00 0.00 C ATOM 160 C LEU A 130 -2.173 -9.844 -9.853 1.00 0.00 C ATOM 161 O LEU A 130 -2.677 -9.419 -8.814 1.00 0.00 O ATOM 162 CB LEU A 130 -3.352 -9.495 -12.022 1.00 0.00 C ATOM 163 CG LEU A 130 -3.556 -8.505 -13.176 1.00 0.00 C ATOM 164 CD1 LEU A 130 -4.489 -9.129 -14.220 1.00 0.00 C ATOM 165 CD2 LEU A 130 -4.176 -7.192 -12.653 1.00 0.00 C ATOM 0 H LEU A 130 -1.004 -9.570 -12.756 1.00 0.00 H new ATOM 0 HA LEU A 130 -2.366 -7.971 -10.866 1.00 0.00 H new ATOM 0 HB2 LEU A 130 -3.129 -10.487 -12.416 1.00 0.00 H new ATOM 0 HB3 LEU A 130 -4.269 -9.582 -11.439 1.00 0.00 H new ATOM 0 HG LEU A 130 -2.589 -8.283 -13.628 1.00 0.00 H new ATOM 0 HD11 LEU A 130 -4.636 -8.428 -15.042 1.00 0.00 H new ATOM 0 HD12 LEU A 130 -4.045 -10.048 -14.602 1.00 0.00 H new ATOM 0 HD13 LEU A 130 -5.451 -9.355 -13.760 1.00 0.00 H new ATOM 0 HD21 LEU A 130 -4.315 -6.499 -13.483 1.00 0.00 H new ATOM 0 HD22 LEU A 130 -5.141 -7.404 -12.192 1.00 0.00 H new ATOM 0 HD23 LEU A 130 -3.511 -6.745 -11.914 1.00 0.00 H new ATOM 177 N GLN A 131 -1.575 -11.027 -9.939 1.00 0.00 N ATOM 178 CA GLN A 131 -1.481 -11.906 -8.782 1.00 0.00 C ATOM 179 C GLN A 131 -0.641 -11.261 -7.689 1.00 0.00 C ATOM 180 O GLN A 131 -0.980 -11.329 -6.508 1.00 0.00 O ATOM 181 CB GLN A 131 -0.855 -13.240 -9.191 1.00 0.00 C ATOM 182 CG GLN A 131 -0.835 -14.186 -7.990 1.00 0.00 C ATOM 183 CD GLN A 131 -0.344 -15.564 -8.419 1.00 0.00 C ATOM 184 OE1 GLN A 131 -0.380 -15.897 -9.603 1.00 0.00 O ATOM 185 NE2 GLN A 131 0.116 -16.390 -7.520 1.00 0.00 N ATOM 0 H GLN A 131 -1.152 -11.396 -10.790 1.00 0.00 H new ATOM 0 HA GLN A 131 -2.486 -12.080 -8.397 1.00 0.00 H new ATOM 0 HB2 GLN A 131 -1.423 -13.685 -10.008 1.00 0.00 H new ATOM 0 HB3 GLN A 131 0.159 -13.080 -9.558 1.00 0.00 H new ATOM 0 HG2 GLN A 131 -0.185 -13.785 -7.212 1.00 0.00 H new ATOM 0 HG3 GLN A 131 -1.834 -14.264 -7.562 1.00 0.00 H new ATOM 0 HE21 GLN A 131 0.145 -16.112 -6.539 1.00 0.00 H new ATOM 0 HE22 GLN A 131 0.447 -17.314 -7.798 1.00 0.00 H new ATOM 194 N ALA A 132 0.459 -10.634 -8.089 1.00 0.00 N ATOM 195 CA ALA A 132 1.339 -9.979 -7.132 1.00 0.00 C ATOM 196 C ALA A 132 0.580 -8.910 -6.361 1.00 0.00 C ATOM 197 O ALA A 132 0.777 -8.742 -5.158 1.00 0.00 O ATOM 198 CB ALA A 132 2.524 -9.341 -7.864 1.00 0.00 C ATOM 0 H ALA A 132 0.760 -10.566 -9.061 1.00 0.00 H new ATOM 0 HA ALA A 132 1.708 -10.727 -6.430 1.00 0.00 H new ATOM 0 HB1 ALA A 132 3.178 -8.853 -7.141 1.00 0.00 H new ATOM 0 HB2 ALA A 132 3.082 -10.112 -8.395 1.00 0.00 H new ATOM 0 HB3 ALA A 132 2.157 -8.603 -8.577 1.00 0.00 H new ATOM 204 N ALA A 133 -0.296 -8.196 -7.059 1.00 0.00 N ATOM 205 CA ALA A 133 -1.089 -7.154 -6.423 1.00 0.00 C ATOM 206 C ALA A 133 -2.087 -7.765 -5.448 1.00 0.00 C ATOM 207 O ALA A 133 -2.254 -7.284 -4.330 1.00 0.00 O ATOM 208 CB ALA A 133 -1.838 -6.347 -7.485 1.00 0.00 C ATOM 0 H ALA A 133 -0.473 -8.319 -8.056 1.00 0.00 H new ATOM 0 HA ALA A 133 -0.417 -6.494 -5.873 1.00 0.00 H new ATOM 0 HB1 ALA A 133 -2.429 -5.569 -7.001 1.00 0.00 H new ATOM 0 HB2 ALA A 133 -1.121 -5.887 -8.165 1.00 0.00 H new ATOM 0 HB3 ALA A 133 -2.498 -7.008 -8.046 1.00 0.00 H new ATOM 214 N PHE A 134 -2.748 -8.836 -5.883 1.00 0.00 N ATOM 215 CA PHE A 134 -3.730 -9.505 -5.036 1.00 0.00 C ATOM 216 C PHE A 134 -3.087 -9.942 -3.727 1.00 0.00 C ATOM 217 O PHE A 134 -3.766 -10.092 -2.710 1.00 0.00 O ATOM 218 CB PHE A 134 -4.292 -10.729 -5.759 1.00 0.00 C ATOM 219 CG PHE A 134 -5.516 -11.231 -5.030 1.00 0.00 C ATOM 220 CD1 PHE A 134 -6.776 -10.708 -5.342 1.00 0.00 C ATOM 221 CD2 PHE A 134 -5.391 -12.220 -4.048 1.00 0.00 C ATOM 222 CE1 PHE A 134 -7.911 -11.174 -4.672 1.00 0.00 C ATOM 223 CE2 PHE A 134 -6.527 -12.684 -3.374 1.00 0.00 C ATOM 224 CZ PHE A 134 -7.789 -12.162 -3.687 1.00 0.00 C ATOM 0 H PHE A 134 -2.623 -9.254 -6.805 1.00 0.00 H new ATOM 0 HA PHE A 134 -4.538 -8.806 -4.821 1.00 0.00 H new ATOM 0 HB2 PHE A 134 -4.549 -10.471 -6.786 1.00 0.00 H new ATOM 0 HB3 PHE A 134 -3.537 -11.514 -5.807 1.00 0.00 H new ATOM 0 HD1 PHE A 134 -6.871 -9.945 -6.100 1.00 0.00 H new ATOM 0 HD2 PHE A 134 -4.419 -12.625 -3.810 1.00 0.00 H new ATOM 0 HE1 PHE A 134 -8.883 -10.771 -4.914 1.00 0.00 H new ATOM 0 HE2 PHE A 134 -6.431 -13.444 -2.613 1.00 0.00 H new ATOM 0 HZ PHE A 134 -8.666 -12.521 -3.169 1.00 0.00 H new ATOM 234 N GLU A 135 -1.774 -10.143 -3.757 1.00 0.00 N ATOM 235 CA GLU A 135 -1.055 -10.563 -2.562 1.00 0.00 C ATOM 236 C GLU A 135 -1.108 -9.475 -1.495 1.00 0.00 C ATOM 237 O GLU A 135 -1.246 -9.766 -0.306 1.00 0.00 O ATOM 238 CB GLU A 135 0.405 -10.871 -2.914 1.00 0.00 C ATOM 239 CG GLU A 135 1.043 -11.716 -1.808 1.00 0.00 C ATOM 240 CD GLU A 135 1.213 -10.878 -0.546 1.00 0.00 C ATOM 241 OE1 GLU A 135 1.415 -9.682 -0.675 1.00 0.00 O ATOM 242 OE2 GLU A 135 1.140 -11.445 0.533 1.00 0.00 O ATOM 0 H GLU A 135 -1.192 -10.023 -4.586 1.00 0.00 H new ATOM 0 HA GLU A 135 -1.531 -11.462 -2.169 1.00 0.00 H new ATOM 0 HB2 GLU A 135 0.454 -11.403 -3.864 1.00 0.00 H new ATOM 0 HB3 GLU A 135 0.961 -9.942 -3.040 1.00 0.00 H new ATOM 0 HG2 GLU A 135 0.419 -12.585 -1.597 1.00 0.00 H new ATOM 0 HG3 GLU A 135 2.011 -12.092 -2.138 1.00 0.00 H new ATOM 249 N GLU A 136 -1.001 -8.225 -1.927 1.00 0.00 N ATOM 250 CA GLU A 136 -1.046 -7.101 -1.000 1.00 0.00 C ATOM 251 C GLU A 136 -2.458 -6.909 -0.460 1.00 0.00 C ATOM 252 O GLU A 136 -2.651 -6.649 0.728 1.00 0.00 O ATOM 253 CB GLU A 136 -0.583 -5.827 -1.704 1.00 0.00 C ATOM 254 CG GLU A 136 0.909 -5.931 -2.023 1.00 0.00 C ATOM 255 CD GLU A 136 1.385 -4.655 -2.710 1.00 0.00 C ATOM 256 OE1 GLU A 136 1.798 -3.746 -2.008 1.00 0.00 O ATOM 257 OE2 GLU A 136 1.333 -4.606 -3.927 1.00 0.00 O ATOM 0 H GLU A 136 -0.883 -7.965 -2.906 1.00 0.00 H new ATOM 0 HA GLU A 136 -0.379 -7.314 -0.164 1.00 0.00 H new ATOM 0 HB2 GLU A 136 -1.152 -5.679 -2.622 1.00 0.00 H new ATOM 0 HB3 GLU A 136 -0.770 -4.960 -1.070 1.00 0.00 H new ATOM 0 HG2 GLU A 136 1.475 -6.093 -1.106 1.00 0.00 H new ATOM 0 HG3 GLU A 136 1.093 -6.791 -2.667 1.00 0.00 H new ATOM 264 N PHE A 137 -3.440 -7.041 -1.344 1.00 0.00 N ATOM 265 CA PHE A 137 -4.835 -6.885 -0.952 1.00 0.00 C ATOM 266 C PHE A 137 -5.263 -8.022 -0.035 1.00 0.00 C ATOM 267 O PHE A 137 -6.036 -7.819 0.901 1.00 0.00 O ATOM 268 CB PHE A 137 -5.734 -6.858 -2.191 1.00 0.00 C ATOM 269 CG PHE A 137 -5.517 -5.565 -2.943 1.00 0.00 C ATOM 270 CD1 PHE A 137 -6.012 -4.363 -2.422 1.00 0.00 C ATOM 271 CD2 PHE A 137 -4.825 -5.566 -4.160 1.00 0.00 C ATOM 272 CE1 PHE A 137 -5.815 -3.163 -3.117 1.00 0.00 C ATOM 273 CE2 PHE A 137 -4.627 -4.367 -4.855 1.00 0.00 C ATOM 274 CZ PHE A 137 -5.122 -3.167 -4.332 1.00 0.00 C ATOM 0 H PHE A 137 -3.297 -7.254 -2.331 1.00 0.00 H new ATOM 0 HA PHE A 137 -4.935 -5.942 -0.415 1.00 0.00 H new ATOM 0 HB2 PHE A 137 -5.509 -7.708 -2.835 1.00 0.00 H new ATOM 0 HB3 PHE A 137 -6.780 -6.949 -1.897 1.00 0.00 H new ATOM 0 HD1 PHE A 137 -6.546 -4.361 -1.483 1.00 0.00 H new ATOM 0 HD2 PHE A 137 -4.444 -6.493 -4.563 1.00 0.00 H new ATOM 0 HE1 PHE A 137 -6.198 -2.236 -2.715 1.00 0.00 H new ATOM 0 HE2 PHE A 137 -4.093 -4.368 -5.794 1.00 0.00 H new ATOM 0 HZ PHE A 137 -4.969 -2.242 -4.868 1.00 0.00 H new ATOM 284 N ASP A 138 -4.761 -9.222 -0.313 1.00 0.00 N ATOM 285 CA ASP A 138 -5.109 -10.385 0.493 1.00 0.00 C ATOM 286 C ASP A 138 -4.331 -10.378 1.804 1.00 0.00 C ATOM 287 O ASP A 138 -3.323 -11.070 1.944 1.00 0.00 O ATOM 288 CB ASP A 138 -4.794 -11.666 -0.287 1.00 0.00 C ATOM 289 CG ASP A 138 -5.537 -12.849 0.324 1.00 0.00 C ATOM 290 OD1 ASP A 138 -6.108 -12.677 1.385 1.00 0.00 O ATOM 291 OD2 ASP A 138 -5.524 -13.909 -0.280 1.00 0.00 O ATOM 0 H ASP A 138 -4.119 -9.412 -1.082 1.00 0.00 H new ATOM 0 HA ASP A 138 -6.175 -10.348 0.719 1.00 0.00 H new ATOM 0 HB2 ASP A 138 -5.083 -11.545 -1.331 1.00 0.00 H new ATOM 0 HB3 ASP A 138 -3.721 -11.855 -0.273 1.00 0.00 H new ATOM 296 N THR A 139 -4.811 -9.594 2.763 1.00 0.00 N ATOM 297 CA THR A 139 -4.158 -9.504 4.063 1.00 0.00 C ATOM 298 C THR A 139 -4.391 -10.765 4.882 1.00 0.00 C ATOM 299 O THR A 139 -3.507 -11.227 5.602 1.00 0.00 O ATOM 300 CB THR A 139 -4.682 -8.287 4.827 1.00 0.00 C ATOM 301 OG1 THR A 139 -6.099 -8.253 4.737 1.00 0.00 O ATOM 302 CG2 THR A 139 -4.097 -7.007 4.227 1.00 0.00 C ATOM 0 H THR A 139 -5.645 -9.015 2.666 1.00 0.00 H new ATOM 0 HA THR A 139 -3.086 -9.396 3.897 1.00 0.00 H new ATOM 0 HB THR A 139 -4.383 -8.358 5.873 1.00 0.00 H new ATOM 0 HG1 THR A 139 -6.439 -7.475 5.227 1.00 0.00 H new ATOM 0 HG21 THR A 139 -4.474 -6.143 4.775 1.00 0.00 H new ATOM 0 HG22 THR A 139 -3.010 -7.036 4.298 1.00 0.00 H new ATOM 0 HG23 THR A 139 -4.390 -6.929 3.180 1.00 0.00 H new ATOM 310 N ASP A 140 -5.587 -11.310 4.765 1.00 0.00 N ATOM 311 CA ASP A 140 -5.949 -12.521 5.502 1.00 0.00 C ATOM 312 C ASP A 140 -5.413 -13.760 4.798 1.00 0.00 C ATOM 313 O ASP A 140 -5.579 -14.879 5.284 1.00 0.00 O ATOM 314 CB ASP A 140 -7.470 -12.624 5.639 1.00 0.00 C ATOM 315 CG ASP A 140 -8.133 -12.379 4.290 1.00 0.00 C ATOM 316 OD1 ASP A 140 -7.460 -12.525 3.287 1.00 0.00 O ATOM 317 OD2 ASP A 140 -9.306 -12.041 4.282 1.00 0.00 O ATOM 0 H ASP A 140 -6.328 -10.940 4.170 1.00 0.00 H new ATOM 0 HA ASP A 140 -5.503 -12.461 6.495 1.00 0.00 H new ATOM 0 HB2 ASP A 140 -7.744 -13.610 6.014 1.00 0.00 H new ATOM 0 HB3 ASP A 140 -7.828 -11.896 6.367 1.00 0.00 H new ATOM 322 N GLN A 141 -4.767 -13.556 3.655 1.00 0.00 N ATOM 323 CA GLN A 141 -4.206 -14.668 2.892 1.00 0.00 C ATOM 324 C GLN A 141 -5.154 -15.860 2.897 1.00 0.00 C ATOM 325 O GLN A 141 -4.730 -17.007 2.752 1.00 0.00 O ATOM 326 CB GLN A 141 -2.859 -15.084 3.489 1.00 0.00 C ATOM 327 CG GLN A 141 -1.840 -13.961 3.291 1.00 0.00 C ATOM 328 CD GLN A 141 -0.514 -14.341 3.942 1.00 0.00 C ATOM 329 OE1 GLN A 141 -0.359 -15.459 4.433 1.00 0.00 O ATOM 330 NE2 GLN A 141 0.459 -13.470 3.976 1.00 0.00 N ATOM 0 H GLN A 141 -4.619 -12.637 3.237 1.00 0.00 H new ATOM 0 HA GLN A 141 -4.064 -14.339 1.863 1.00 0.00 H new ATOM 0 HB2 GLN A 141 -2.973 -15.302 4.551 1.00 0.00 H new ATOM 0 HB3 GLN A 141 -2.505 -15.998 3.012 1.00 0.00 H new ATOM 0 HG2 GLN A 141 -1.693 -13.776 2.227 1.00 0.00 H new ATOM 0 HG3 GLN A 141 -2.217 -13.036 3.727 1.00 0.00 H new ATOM 0 HE21 GLN A 141 0.329 -12.544 3.569 1.00 0.00 H new ATOM 0 HE22 GLN A 141 1.349 -13.716 4.410 1.00 0.00 H new ATOM 339 N ASP A 142 -6.439 -15.580 3.069 1.00 0.00 N ATOM 340 CA ASP A 142 -7.449 -16.634 3.100 1.00 0.00 C ATOM 341 C ASP A 142 -7.877 -17.000 1.684 1.00 0.00 C ATOM 342 O ASP A 142 -8.705 -17.890 1.487 1.00 0.00 O ATOM 343 CB ASP A 142 -8.668 -16.172 3.900 1.00 0.00 C ATOM 344 CG ASP A 142 -9.208 -14.867 3.326 1.00 0.00 C ATOM 345 OD1 ASP A 142 -8.748 -14.476 2.265 1.00 0.00 O ATOM 346 OD2 ASP A 142 -10.075 -14.280 3.952 1.00 0.00 O ATOM 0 H ASP A 142 -6.807 -14.636 3.189 1.00 0.00 H new ATOM 0 HA ASP A 142 -7.016 -17.512 3.579 1.00 0.00 H new ATOM 0 HB2 ASP A 142 -9.443 -16.938 3.872 1.00 0.00 H new ATOM 0 HB3 ASP A 142 -8.395 -16.033 4.946 1.00 0.00 H new ATOM 351 N GLY A 143 -7.308 -16.310 0.701 1.00 0.00 N ATOM 352 CA GLY A 143 -7.637 -16.572 -0.697 1.00 0.00 C ATOM 353 C GLY A 143 -8.887 -15.808 -1.113 1.00 0.00 C ATOM 354 O GLY A 143 -9.405 -15.999 -2.210 1.00 0.00 O ATOM 0 H GLY A 143 -6.621 -15.570 0.844 1.00 0.00 H new ATOM 0 HA2 GLY A 143 -6.800 -16.282 -1.332 1.00 0.00 H new ATOM 0 HA3 GLY A 143 -7.793 -17.641 -0.844 1.00 0.00 H new ATOM 358 N TYR A 144 -9.370 -14.946 -0.226 1.00 0.00 N ATOM 359 CA TYR A 144 -10.568 -14.154 -0.506 1.00 0.00 C ATOM 360 C TYR A 144 -10.427 -12.752 0.067 1.00 0.00 C ATOM 361 O TYR A 144 -9.720 -12.543 1.053 1.00 0.00 O ATOM 362 CB TYR A 144 -11.797 -14.827 0.105 1.00 0.00 C ATOM 363 CG TYR A 144 -11.949 -16.215 -0.468 1.00 0.00 C ATOM 364 CD1 TYR A 144 -12.607 -16.402 -1.691 1.00 0.00 C ATOM 365 CD2 TYR A 144 -11.433 -17.316 0.223 1.00 0.00 C ATOM 366 CE1 TYR A 144 -12.748 -17.689 -2.220 1.00 0.00 C ATOM 367 CE2 TYR A 144 -11.572 -18.604 -0.307 1.00 0.00 C ATOM 368 CZ TYR A 144 -12.231 -18.791 -1.527 1.00 0.00 C ATOM 369 OH TYR A 144 -12.369 -20.061 -2.051 1.00 0.00 O ATOM 0 H TYR A 144 -8.955 -14.776 0.690 1.00 0.00 H new ATOM 0 HA TYR A 144 -10.688 -14.087 -1.587 1.00 0.00 H new ATOM 0 HB2 TYR A 144 -11.695 -14.879 1.189 1.00 0.00 H new ATOM 0 HB3 TYR A 144 -12.689 -14.237 -0.103 1.00 0.00 H new ATOM 0 HD1 TYR A 144 -13.005 -15.552 -2.225 1.00 0.00 H new ATOM 0 HD2 TYR A 144 -10.927 -17.172 1.166 1.00 0.00 H new ATOM 0 HE1 TYR A 144 -13.255 -17.833 -3.162 1.00 0.00 H new ATOM 0 HE2 TYR A 144 -11.171 -19.453 0.226 1.00 0.00 H new ATOM 0 HH TYR A 144 -11.954 -20.711 -1.446 1.00 0.00 H new ATOM 379 N ILE A 145 -11.099 -11.791 -0.557 1.00 0.00 N ATOM 380 CA ILE A 145 -11.043 -10.402 -0.105 1.00 0.00 C ATOM 381 C ILE A 145 -12.449 -9.820 -0.022 1.00 0.00 C ATOM 382 O ILE A 145 -13.398 -10.371 -0.585 1.00 0.00 O ATOM 383 CB ILE A 145 -10.199 -9.571 -1.079 1.00 0.00 C ATOM 384 CG1 ILE A 145 -10.825 -9.624 -2.497 1.00 0.00 C ATOM 385 CG2 ILE A 145 -8.771 -10.128 -1.114 1.00 0.00 C ATOM 386 CD1 ILE A 145 -11.616 -8.344 -2.770 1.00 0.00 C ATOM 0 H ILE A 145 -11.688 -11.946 -1.375 1.00 0.00 H new ATOM 0 HA ILE A 145 -10.587 -10.373 0.884 1.00 0.00 H new ATOM 0 HB ILE A 145 -10.174 -8.534 -0.746 1.00 0.00 H new ATOM 0 HG12 ILE A 145 -10.041 -9.743 -3.245 1.00 0.00 H new ATOM 0 HG13 ILE A 145 -11.480 -10.491 -2.582 1.00 0.00 H new ATOM 0 HG21 ILE A 145 -8.168 -9.540 -1.806 1.00 0.00 H new ATOM 0 HG22 ILE A 145 -8.335 -10.075 -0.116 1.00 0.00 H new ATOM 0 HG23 ILE A 145 -8.793 -11.166 -1.445 1.00 0.00 H new ATOM 0 HD11 ILE A 145 -12.051 -8.391 -3.768 1.00 0.00 H new ATOM 0 HD12 ILE A 145 -12.411 -8.243 -2.032 1.00 0.00 H new ATOM 0 HD13 ILE A 145 -10.950 -7.484 -2.705 1.00 0.00 H new ATOM 398 N GLY A 146 -12.580 -8.698 0.678 1.00 0.00 N ATOM 399 CA GLY A 146 -13.876 -8.042 0.830 1.00 0.00 C ATOM 400 C GLY A 146 -14.127 -7.058 -0.307 1.00 0.00 C ATOM 401 O GLY A 146 -13.217 -6.348 -0.737 1.00 0.00 O ATOM 0 H GLY A 146 -11.808 -8.225 1.148 1.00 0.00 H new ATOM 0 HA2 GLY A 146 -14.667 -8.792 0.848 1.00 0.00 H new ATOM 0 HA3 GLY A 146 -13.912 -7.517 1.785 1.00 0.00 H new ATOM 405 N TYR A 147 -15.365 -7.025 -0.791 1.00 0.00 N ATOM 406 CA TYR A 147 -15.730 -6.123 -1.877 1.00 0.00 C ATOM 407 C TYR A 147 -15.272 -4.705 -1.561 1.00 0.00 C ATOM 408 O TYR A 147 -14.567 -4.480 -0.583 1.00 0.00 O ATOM 409 CB TYR A 147 -17.253 -6.145 -2.092 1.00 0.00 C ATOM 410 CG TYR A 147 -17.623 -7.306 -2.984 1.00 0.00 C ATOM 411 CD1 TYR A 147 -17.643 -8.607 -2.471 1.00 0.00 C ATOM 412 CD2 TYR A 147 -17.942 -7.077 -4.328 1.00 0.00 C ATOM 413 CE1 TYR A 147 -17.983 -9.678 -3.304 1.00 0.00 C ATOM 414 CE2 TYR A 147 -18.282 -8.147 -5.159 1.00 0.00 C ATOM 415 CZ TYR A 147 -18.304 -9.447 -4.647 1.00 0.00 C ATOM 416 OH TYR A 147 -18.639 -10.506 -5.466 1.00 0.00 O ATOM 0 H TYR A 147 -16.128 -7.609 -0.450 1.00 0.00 H new ATOM 0 HA TYR A 147 -15.237 -6.458 -2.790 1.00 0.00 H new ATOM 0 HB2 TYR A 147 -17.764 -6.233 -1.133 1.00 0.00 H new ATOM 0 HB3 TYR A 147 -17.580 -5.208 -2.543 1.00 0.00 H new ATOM 0 HD1 TYR A 147 -17.397 -8.784 -1.435 1.00 0.00 H new ATOM 0 HD2 TYR A 147 -17.925 -6.072 -4.723 1.00 0.00 H new ATOM 0 HE1 TYR A 147 -17.998 -10.684 -2.911 1.00 0.00 H new ATOM 0 HE2 TYR A 147 -18.528 -7.970 -6.196 1.00 0.00 H new ATOM 0 HH TYR A 147 -19.062 -11.211 -4.933 1.00 0.00 H new ATOM 426 N ARG A 148 -15.677 -3.758 -2.404 1.00 0.00 N ATOM 427 CA ARG A 148 -15.302 -2.361 -2.220 1.00 0.00 C ATOM 428 C ARG A 148 -13.814 -2.176 -2.497 1.00 0.00 C ATOM 429 O ARG A 148 -13.400 -1.170 -3.076 1.00 0.00 O ATOM 430 CB ARG A 148 -15.631 -1.911 -0.794 1.00 0.00 C ATOM 431 CG ARG A 148 -15.603 -0.388 -0.718 1.00 0.00 C ATOM 432 CD ARG A 148 -16.006 0.055 0.688 1.00 0.00 C ATOM 433 NE ARG A 148 -15.029 -0.416 1.666 1.00 0.00 N ATOM 434 CZ ARG A 148 -13.920 0.273 1.918 1.00 0.00 C ATOM 435 NH1 ARG A 148 -13.691 1.389 1.286 1.00 0.00 N ATOM 436 NH2 ARG A 148 -13.065 -0.168 2.799 1.00 0.00 N ATOM 0 H ARG A 148 -16.264 -3.934 -3.220 1.00 0.00 H new ATOM 0 HA ARG A 148 -15.869 -1.750 -2.922 1.00 0.00 H new ATOM 0 HB2 ARG A 148 -16.614 -2.282 -0.503 1.00 0.00 H new ATOM 0 HB3 ARG A 148 -14.911 -2.333 -0.093 1.00 0.00 H new ATOM 0 HG2 ARG A 148 -14.605 -0.019 -0.956 1.00 0.00 H new ATOM 0 HG3 ARG A 148 -16.284 0.037 -1.455 1.00 0.00 H new ATOM 0 HD2 ARG A 148 -16.076 1.142 0.728 1.00 0.00 H new ATOM 0 HD3 ARG A 148 -16.993 -0.338 0.932 1.00 0.00 H new ATOM 0 HE ARG A 148 -15.200 -1.289 2.165 1.00 0.00 H new ATOM 0 HH11 ARG A 148 -14.362 1.733 0.599 1.00 0.00 H new ATOM 0 HH12 ARG A 148 -12.841 1.919 1.478 1.00 0.00 H new ATOM 0 HH21 ARG A 148 -13.247 -1.041 3.294 1.00 0.00 H new ATOM 0 HH22 ARG A 148 -12.214 0.360 2.993 1.00 0.00 H new ATOM 450 N GLU A 149 -13.013 -3.157 -2.088 1.00 0.00 N ATOM 451 CA GLU A 149 -11.571 -3.096 -2.306 1.00 0.00 C ATOM 452 C GLU A 149 -11.237 -3.476 -3.744 1.00 0.00 C ATOM 453 O GLU A 149 -10.144 -3.192 -4.235 1.00 0.00 O ATOM 454 CB GLU A 149 -10.856 -4.046 -1.344 1.00 0.00 C ATOM 455 CG GLU A 149 -10.973 -3.511 0.084 1.00 0.00 C ATOM 456 CD GLU A 149 -10.349 -4.498 1.063 1.00 0.00 C ATOM 457 OE1 GLU A 149 -9.814 -5.497 0.607 1.00 0.00 O ATOM 458 OE2 GLU A 149 -10.418 -4.244 2.253 1.00 0.00 O ATOM 0 H GLU A 149 -13.335 -3.997 -1.608 1.00 0.00 H new ATOM 0 HA GLU A 149 -11.234 -2.076 -2.122 1.00 0.00 H new ATOM 0 HB2 GLU A 149 -11.294 -5.042 -1.407 1.00 0.00 H new ATOM 0 HB3 GLU A 149 -9.807 -4.141 -1.623 1.00 0.00 H new ATOM 0 HG2 GLU A 149 -10.474 -2.545 0.161 1.00 0.00 H new ATOM 0 HG3 GLU A 149 -12.021 -3.350 0.336 1.00 0.00 H new ATOM 465 N LEU A 150 -12.186 -4.118 -4.416 1.00 0.00 N ATOM 466 CA LEU A 150 -11.985 -4.531 -5.800 1.00 0.00 C ATOM 467 C LEU A 150 -11.792 -3.319 -6.700 1.00 0.00 C ATOM 468 O LEU A 150 -10.952 -3.330 -7.600 1.00 0.00 O ATOM 469 CB LEU A 150 -13.191 -5.341 -6.286 1.00 0.00 C ATOM 470 CG LEU A 150 -13.222 -6.696 -5.568 1.00 0.00 C ATOM 471 CD1 LEU A 150 -14.546 -7.405 -5.876 1.00 0.00 C ATOM 472 CD2 LEU A 150 -12.039 -7.577 -6.029 1.00 0.00 C ATOM 0 H LEU A 150 -13.097 -4.363 -4.028 1.00 0.00 H new ATOM 0 HA LEU A 150 -11.089 -5.150 -5.845 1.00 0.00 H new ATOM 0 HB2 LEU A 150 -14.113 -4.793 -6.091 1.00 0.00 H new ATOM 0 HB3 LEU A 150 -13.131 -5.490 -7.364 1.00 0.00 H new ATOM 0 HG LEU A 150 -13.136 -6.530 -4.494 1.00 0.00 H new ATOM 0 HD11 LEU A 150 -14.570 -8.368 -5.367 1.00 0.00 H new ATOM 0 HD12 LEU A 150 -15.377 -6.791 -5.530 1.00 0.00 H new ATOM 0 HD13 LEU A 150 -14.634 -7.561 -6.951 1.00 0.00 H new ATOM 0 HD21 LEU A 150 -12.075 -8.535 -5.510 1.00 0.00 H new ATOM 0 HD22 LEU A 150 -12.107 -7.744 -7.104 1.00 0.00 H new ATOM 0 HD23 LEU A 150 -11.100 -7.075 -5.798 1.00 0.00 H new ATOM 484 N GLY A 151 -12.578 -2.276 -6.455 1.00 0.00 N ATOM 485 CA GLY A 151 -12.485 -1.064 -7.257 1.00 0.00 C ATOM 486 C GLY A 151 -11.076 -0.482 -7.204 1.00 0.00 C ATOM 487 O GLY A 151 -10.495 -0.147 -8.237 1.00 0.00 O ATOM 0 H GLY A 151 -13.279 -2.246 -5.715 1.00 0.00 H new ATOM 0 HA2 GLY A 151 -12.752 -1.286 -8.290 1.00 0.00 H new ATOM 0 HA3 GLY A 151 -13.201 -0.327 -6.893 1.00 0.00 H new ATOM 491 N ASP A 152 -10.532 -0.364 -5.998 1.00 0.00 N ATOM 492 CA ASP A 152 -9.190 0.180 -5.828 1.00 0.00 C ATOM 493 C ASP A 152 -8.169 -0.690 -6.548 1.00 0.00 C ATOM 494 O ASP A 152 -7.278 -0.184 -7.232 1.00 0.00 O ATOM 495 CB ASP A 152 -8.841 0.256 -4.341 1.00 0.00 C ATOM 496 CG ASP A 152 -7.451 0.858 -4.161 1.00 0.00 C ATOM 497 OD1 ASP A 152 -6.799 1.098 -5.162 1.00 0.00 O ATOM 498 OD2 ASP A 152 -7.065 1.073 -3.025 1.00 0.00 O ATOM 0 H ASP A 152 -10.995 -0.635 -5.130 1.00 0.00 H new ATOM 0 HA ASP A 152 -9.166 1.182 -6.257 1.00 0.00 H new ATOM 0 HB2 ASP A 152 -9.579 0.862 -3.816 1.00 0.00 H new ATOM 0 HB3 ASP A 152 -8.875 -0.740 -3.900 1.00 0.00 H new ATOM 503 N CYS A 153 -8.304 -2.002 -6.397 1.00 0.00 N ATOM 504 CA CYS A 153 -7.389 -2.936 -7.042 1.00 0.00 C ATOM 505 C CYS A 153 -7.472 -2.804 -8.558 1.00 0.00 C ATOM 506 O CYS A 153 -6.480 -2.979 -9.258 1.00 0.00 O ATOM 507 CB CYS A 153 -7.731 -4.371 -6.635 1.00 0.00 C ATOM 508 SG CYS A 153 -6.329 -5.455 -7.004 1.00 0.00 S ATOM 0 H CYS A 153 -9.034 -2.442 -5.837 1.00 0.00 H new ATOM 0 HA CYS A 153 -6.374 -2.700 -6.721 1.00 0.00 H new ATOM 0 HB2 CYS A 153 -7.966 -4.412 -5.571 1.00 0.00 H new ATOM 0 HB3 CYS A 153 -8.618 -4.711 -7.171 1.00 0.00 H new ATOM 0 HG CYS A 153 -5.453 -5.372 -6.047 1.00 0.00 H new ATOM 514 N MET A 154 -8.664 -2.500 -9.055 1.00 0.00 N ATOM 515 CA MET A 154 -8.864 -2.354 -10.490 1.00 0.00 C ATOM 516 C MET A 154 -8.064 -1.172 -11.023 1.00 0.00 C ATOM 517 O MET A 154 -7.783 -1.092 -12.213 1.00 0.00 O ATOM 518 CB MET A 154 -10.348 -2.146 -10.796 1.00 0.00 C ATOM 519 CG MET A 154 -10.565 -2.166 -12.310 1.00 0.00 C ATOM 520 SD MET A 154 -12.336 -2.036 -12.665 1.00 0.00 S ATOM 521 CE MET A 154 -12.688 -3.812 -12.730 1.00 0.00 C ATOM 0 H MET A 154 -9.500 -2.351 -8.491 1.00 0.00 H new ATOM 0 HA MET A 154 -8.518 -3.265 -10.979 1.00 0.00 H new ATOM 0 HB2 MET A 154 -10.941 -2.929 -10.323 1.00 0.00 H new ATOM 0 HB3 MET A 154 -10.686 -1.196 -10.382 1.00 0.00 H new ATOM 0 HG2 MET A 154 -10.028 -1.340 -12.776 1.00 0.00 H new ATOM 0 HG3 MET A 154 -10.164 -3.087 -12.734 1.00 0.00 H new ATOM 0 HE1 MET A 154 -13.746 -3.966 -12.941 1.00 0.00 H new ATOM 0 HE2 MET A 154 -12.090 -4.273 -13.516 1.00 0.00 H new ATOM 0 HE3 MET A 154 -12.440 -4.267 -11.771 1.00 0.00 H new ATOM 531 N ARG A 155 -7.709 -0.250 -10.135 1.00 0.00 N ATOM 532 CA ARG A 155 -6.943 0.928 -10.532 1.00 0.00 C ATOM 533 C ARG A 155 -5.446 0.636 -10.478 1.00 0.00 C ATOM 534 O ARG A 155 -4.642 1.341 -11.081 1.00 0.00 O ATOM 535 CB ARG A 155 -7.271 2.099 -9.607 1.00 0.00 C ATOM 536 CG ARG A 155 -6.600 3.369 -10.132 1.00 0.00 C ATOM 537 CD ARG A 155 -7.065 4.571 -9.309 1.00 0.00 C ATOM 538 NE ARG A 155 -6.614 5.812 -9.926 1.00 0.00 N ATOM 539 CZ ARG A 155 -6.914 6.992 -9.396 1.00 0.00 C ATOM 540 NH1 ARG A 155 -7.622 7.054 -8.301 1.00 0.00 N ATOM 541 NH2 ARG A 155 -6.507 8.090 -9.971 1.00 0.00 N ATOM 0 H ARG A 155 -7.937 -0.294 -9.142 1.00 0.00 H new ATOM 0 HA ARG A 155 -7.214 1.188 -11.555 1.00 0.00 H new ATOM 0 HB2 ARG A 155 -8.350 2.241 -9.552 1.00 0.00 H new ATOM 0 HB3 ARG A 155 -6.926 1.885 -8.595 1.00 0.00 H new ATOM 0 HG2 ARG A 155 -5.516 3.271 -10.072 1.00 0.00 H new ATOM 0 HG3 ARG A 155 -6.849 3.516 -11.183 1.00 0.00 H new ATOM 0 HD2 ARG A 155 -8.152 4.569 -9.233 1.00 0.00 H new ATOM 0 HD3 ARG A 155 -6.674 4.499 -8.294 1.00 0.00 H new ATOM 0 HE ARG A 155 -6.058 5.773 -10.780 1.00 0.00 H new ATOM 0 HH11 ARG A 155 -7.944 6.196 -7.853 1.00 0.00 H new ATOM 0 HH12 ARG A 155 -7.853 7.960 -7.893 1.00 0.00 H new ATOM 0 HH21 ARG A 155 -5.957 8.043 -10.829 1.00 0.00 H new ATOM 0 HH22 ARG A 155 -6.738 8.996 -9.563 1.00 0.00 H new ATOM 555 N THR A 156 -5.082 -0.410 -9.745 1.00 0.00 N ATOM 556 CA THR A 156 -3.679 -0.784 -9.610 1.00 0.00 C ATOM 557 C THR A 156 -3.045 -1.048 -10.966 1.00 0.00 C ATOM 558 O THR A 156 -1.840 -1.266 -11.073 1.00 0.00 O ATOM 559 CB THR A 156 -3.552 -2.032 -8.717 1.00 0.00 C ATOM 560 OG1 THR A 156 -2.284 -2.028 -8.075 1.00 0.00 O ATOM 561 CG2 THR A 156 -3.696 -3.311 -9.563 1.00 0.00 C ATOM 0 H THR A 156 -5.733 -1.010 -9.239 1.00 0.00 H new ATOM 0 HA THR A 156 -3.150 0.049 -9.147 1.00 0.00 H new ATOM 0 HB THR A 156 -4.344 -2.013 -7.968 1.00 0.00 H new ATOM 0 HG1 THR A 156 -2.203 -2.821 -7.505 1.00 0.00 H new ATOM 0 HG21 THR A 156 -3.604 -4.186 -8.919 1.00 0.00 H new ATOM 0 HG22 THR A 156 -4.672 -3.318 -10.048 1.00 0.00 H new ATOM 0 HG23 THR A 156 -2.914 -3.335 -10.322 1.00 0.00 H new ATOM 569 N LEU A 157 -3.873 -1.047 -11.987 1.00 0.00 N ATOM 570 CA LEU A 157 -3.412 -1.306 -13.356 1.00 0.00 C ATOM 571 C LEU A 157 -3.421 -0.038 -14.182 1.00 0.00 C ATOM 572 O LEU A 157 -3.114 -0.055 -15.375 1.00 0.00 O ATOM 573 CB LEU A 157 -4.298 -2.365 -14.017 1.00 0.00 C ATOM 574 CG LEU A 157 -5.748 -1.835 -14.144 1.00 0.00 C ATOM 575 CD1 LEU A 157 -6.028 -1.394 -15.584 1.00 0.00 C ATOM 576 CD2 LEU A 157 -6.742 -2.936 -13.752 1.00 0.00 C ATOM 0 H LEU A 157 -4.874 -0.870 -11.907 1.00 0.00 H new ATOM 0 HA LEU A 157 -2.387 -1.674 -13.305 1.00 0.00 H new ATOM 0 HB2 LEU A 157 -3.906 -2.616 -15.002 1.00 0.00 H new ATOM 0 HB3 LEU A 157 -4.287 -3.281 -13.426 1.00 0.00 H new ATOM 0 HG LEU A 157 -5.865 -0.981 -13.477 1.00 0.00 H new ATOM 0 HD11 LEU A 157 -7.050 -1.024 -15.659 1.00 0.00 H new ATOM 0 HD12 LEU A 157 -5.334 -0.601 -15.863 1.00 0.00 H new ATOM 0 HD13 LEU A 157 -5.899 -2.243 -16.256 1.00 0.00 H new ATOM 0 HD21 LEU A 157 -7.760 -2.557 -13.843 1.00 0.00 H new ATOM 0 HD22 LEU A 157 -6.614 -3.794 -14.412 1.00 0.00 H new ATOM 0 HD23 LEU A 157 -6.560 -3.241 -12.721 1.00 0.00 H new ATOM 588 N GLY A 158 -3.765 1.061 -13.539 1.00 0.00 N ATOM 589 CA GLY A 158 -3.808 2.364 -14.213 1.00 0.00 C ATOM 590 C GLY A 158 -5.246 2.849 -14.384 1.00 0.00 C ATOM 591 O GLY A 158 -5.981 2.997 -13.409 1.00 0.00 O ATOM 0 H GLY A 158 -4.020 1.088 -12.552 1.00 0.00 H new ATOM 0 HA2 GLY A 158 -3.241 3.094 -13.635 1.00 0.00 H new ATOM 0 HA3 GLY A 158 -3.328 2.288 -15.189 1.00 0.00 H new ATOM 595 N TYR A 159 -5.636 3.090 -15.633 1.00 0.00 N ATOM 596 CA TYR A 159 -6.983 3.556 -15.922 1.00 0.00 C ATOM 597 C TYR A 159 -7.979 2.434 -15.722 1.00 0.00 C ATOM 598 O TYR A 159 -7.706 1.282 -16.060 1.00 0.00 O ATOM 599 CB TYR A 159 -7.069 4.062 -17.362 1.00 0.00 C ATOM 600 CG TYR A 159 -6.268 5.334 -17.495 1.00 0.00 C ATOM 601 CD1 TYR A 159 -6.843 6.561 -17.145 1.00 0.00 C ATOM 602 CD2 TYR A 159 -4.953 5.284 -17.966 1.00 0.00 C ATOM 603 CE1 TYR A 159 -6.099 7.740 -17.269 1.00 0.00 C ATOM 604 CE2 TYR A 159 -4.208 6.464 -18.090 1.00 0.00 C ATOM 605 CZ TYR A 159 -4.782 7.692 -17.740 1.00 0.00 C ATOM 606 OH TYR A 159 -4.050 8.855 -17.862 1.00 0.00 O ATOM 0 H TYR A 159 -5.041 2.971 -16.453 1.00 0.00 H new ATOM 0 HA TYR A 159 -7.220 4.372 -15.239 1.00 0.00 H new ATOM 0 HB2 TYR A 159 -6.688 3.306 -18.048 1.00 0.00 H new ATOM 0 HB3 TYR A 159 -8.109 4.244 -17.634 1.00 0.00 H new ATOM 0 HD1 TYR A 159 -7.859 6.598 -16.780 1.00 0.00 H new ATOM 0 HD2 TYR A 159 -4.511 4.336 -18.234 1.00 0.00 H new ATOM 0 HE1 TYR A 159 -6.542 8.688 -17.001 1.00 0.00 H new ATOM 0 HE2 TYR A 159 -3.192 6.426 -18.455 1.00 0.00 H new ATOM 0 HH TYR A 159 -3.155 8.644 -18.202 1.00 0.00 H new ATOM 616 N MET A 160 -9.138 2.772 -15.159 1.00 0.00 N ATOM 617 CA MET A 160 -10.173 1.777 -14.902 1.00 0.00 C ATOM 618 C MET A 160 -11.526 2.247 -15.451 1.00 0.00 C ATOM 619 O MET A 160 -11.805 3.446 -15.479 1.00 0.00 O ATOM 620 CB MET A 160 -10.297 1.522 -13.396 1.00 0.00 C ATOM 621 CG MET A 160 -10.383 2.850 -12.637 1.00 0.00 C ATOM 622 SD MET A 160 -12.058 3.513 -12.781 1.00 0.00 S ATOM 623 CE MET A 160 -11.867 4.856 -11.587 1.00 0.00 C ATOM 0 H MET A 160 -9.381 3.721 -14.874 1.00 0.00 H new ATOM 0 HA MET A 160 -9.888 0.853 -15.406 1.00 0.00 H new ATOM 0 HB2 MET A 160 -11.184 0.922 -13.194 1.00 0.00 H new ATOM 0 HB3 MET A 160 -9.438 0.950 -13.045 1.00 0.00 H new ATOM 0 HG2 MET A 160 -10.128 2.700 -11.588 1.00 0.00 H new ATOM 0 HG3 MET A 160 -9.662 3.561 -13.042 1.00 0.00 H new ATOM 0 HE1 MET A 160 -12.801 5.412 -11.513 1.00 0.00 H new ATOM 0 HE2 MET A 160 -11.612 4.442 -10.611 1.00 0.00 H new ATOM 0 HE3 MET A 160 -11.072 5.525 -11.916 1.00 0.00 H new ATOM 633 N PRO A 161 -12.368 1.330 -15.864 1.00 0.00 N ATOM 634 CA PRO A 161 -13.716 1.669 -16.399 1.00 0.00 C ATOM 635 C PRO A 161 -14.438 2.710 -15.543 1.00 0.00 C ATOM 636 O PRO A 161 -14.132 2.879 -14.365 1.00 0.00 O ATOM 637 CB PRO A 161 -14.461 0.326 -16.371 1.00 0.00 C ATOM 638 CG PRO A 161 -13.401 -0.730 -16.453 1.00 0.00 C ATOM 639 CD PRO A 161 -12.120 -0.123 -15.880 1.00 0.00 C ATOM 0 HA PRO A 161 -13.661 2.115 -17.392 1.00 0.00 H new ATOM 0 HB2 PRO A 161 -15.046 0.222 -15.457 1.00 0.00 H new ATOM 0 HB3 PRO A 161 -15.157 0.247 -17.206 1.00 0.00 H new ATOM 0 HG2 PRO A 161 -13.694 -1.615 -15.889 1.00 0.00 H new ATOM 0 HG3 PRO A 161 -13.250 -1.046 -17.485 1.00 0.00 H new ATOM 0 HD2 PRO A 161 -11.917 -0.501 -14.878 1.00 0.00 H new ATOM 0 HD3 PRO A 161 -11.255 -0.370 -16.496 1.00 0.00 H new ATOM 647 N THR A 162 -15.393 3.403 -16.148 1.00 0.00 N ATOM 648 CA THR A 162 -16.144 4.429 -15.436 1.00 0.00 C ATOM 649 C THR A 162 -16.710 3.863 -14.138 1.00 0.00 C ATOM 650 O THR A 162 -16.960 2.665 -14.027 1.00 0.00 O ATOM 651 CB THR A 162 -17.291 4.940 -16.313 1.00 0.00 C ATOM 652 OG1 THR A 162 -16.832 5.084 -17.651 1.00 0.00 O ATOM 653 CG2 THR A 162 -17.774 6.295 -15.791 1.00 0.00 C ATOM 0 H THR A 162 -15.665 3.275 -17.123 1.00 0.00 H new ATOM 0 HA THR A 162 -15.471 5.254 -15.202 1.00 0.00 H new ATOM 0 HB THR A 162 -18.116 4.228 -16.283 1.00 0.00 H new ATOM 0 HG1 THR A 162 -17.565 5.409 -18.215 1.00 0.00 H new ATOM 0 HG21 THR A 162 -18.590 6.656 -16.417 1.00 0.00 H new ATOM 0 HG22 THR A 162 -18.125 6.186 -14.765 1.00 0.00 H new ATOM 0 HG23 THR A 162 -16.952 7.010 -15.819 1.00 0.00 H new ATOM 661 N GLU A 163 -16.906 4.735 -13.157 1.00 0.00 N ATOM 662 CA GLU A 163 -17.435 4.312 -11.867 1.00 0.00 C ATOM 663 C GLU A 163 -18.794 3.643 -12.037 1.00 0.00 C ATOM 664 O GLU A 163 -19.190 2.811 -11.223 1.00 0.00 O ATOM 665 CB GLU A 163 -17.574 5.517 -10.934 1.00 0.00 C ATOM 666 CG GLU A 163 -16.184 6.034 -10.553 1.00 0.00 C ATOM 667 CD GLU A 163 -16.308 7.303 -9.716 1.00 0.00 C ATOM 668 OE1 GLU A 163 -17.429 7.702 -9.444 1.00 0.00 O ATOM 669 OE2 GLU A 163 -15.282 7.857 -9.360 1.00 0.00 O ATOM 0 H GLU A 163 -16.708 5.733 -13.229 1.00 0.00 H new ATOM 0 HA GLU A 163 -16.739 3.594 -11.432 1.00 0.00 H new ATOM 0 HB2 GLU A 163 -18.145 6.306 -11.424 1.00 0.00 H new ATOM 0 HB3 GLU A 163 -18.126 5.234 -10.038 1.00 0.00 H new ATOM 0 HG2 GLU A 163 -15.645 5.271 -9.992 1.00 0.00 H new ATOM 0 HG3 GLU A 163 -15.604 6.238 -11.453 1.00 0.00 H new ATOM 676 N MET A 164 -19.504 4.016 -13.093 1.00 0.00 N ATOM 677 CA MET A 164 -20.821 3.443 -13.347 1.00 0.00 C ATOM 678 C MET A 164 -20.714 1.938 -13.569 1.00 0.00 C ATOM 679 O MET A 164 -21.602 1.181 -13.177 1.00 0.00 O ATOM 680 CB MET A 164 -21.441 4.102 -14.584 1.00 0.00 C ATOM 681 CG MET A 164 -22.858 3.568 -14.795 1.00 0.00 C ATOM 682 SD MET A 164 -23.612 4.414 -16.207 1.00 0.00 S ATOM 683 CE MET A 164 -22.497 3.776 -17.481 1.00 0.00 C ATOM 0 H MET A 164 -19.196 4.704 -13.780 1.00 0.00 H new ATOM 0 HA MET A 164 -21.455 3.626 -12.479 1.00 0.00 H new ATOM 0 HB2 MET A 164 -21.465 5.184 -14.458 1.00 0.00 H new ATOM 0 HB3 MET A 164 -20.830 3.896 -15.463 1.00 0.00 H new ATOM 0 HG2 MET A 164 -22.831 2.493 -14.972 1.00 0.00 H new ATOM 0 HG3 MET A 164 -23.457 3.728 -13.898 1.00 0.00 H new ATOM 0 HE1 MET A 164 -23.014 3.757 -18.440 1.00 0.00 H new ATOM 0 HE2 MET A 164 -21.621 4.420 -17.554 1.00 0.00 H new ATOM 0 HE3 MET A 164 -22.183 2.766 -17.217 1.00 0.00 H new ATOM 693 N GLU A 165 -19.620 1.510 -14.189 1.00 0.00 N ATOM 694 CA GLU A 165 -19.406 0.088 -14.443 1.00 0.00 C ATOM 695 C GLU A 165 -19.033 -0.633 -13.153 1.00 0.00 C ATOM 696 O GLU A 165 -19.522 -1.729 -12.876 1.00 0.00 O ATOM 697 CB GLU A 165 -18.301 -0.094 -15.484 1.00 0.00 C ATOM 698 CG GLU A 165 -18.152 -1.580 -15.813 1.00 0.00 C ATOM 699 CD GLU A 165 -17.229 -1.756 -17.011 1.00 0.00 C ATOM 700 OE1 GLU A 165 -17.099 -0.814 -17.775 1.00 0.00 O ATOM 701 OE2 GLU A 165 -16.684 -2.837 -17.163 1.00 0.00 O ATOM 0 H GLU A 165 -18.873 2.120 -14.523 1.00 0.00 H new ATOM 0 HA GLU A 165 -20.331 -0.342 -14.826 1.00 0.00 H new ATOM 0 HB2 GLU A 165 -18.541 0.467 -16.387 1.00 0.00 H new ATOM 0 HB3 GLU A 165 -17.359 0.302 -15.104 1.00 0.00 H new ATOM 0 HG2 GLU A 165 -17.750 -2.113 -14.952 1.00 0.00 H new ATOM 0 HG3 GLU A 165 -19.129 -2.013 -16.029 1.00 0.00 H new ATOM 708 N LEU A 166 -18.171 -0.005 -12.363 1.00 0.00 N ATOM 709 CA LEU A 166 -17.740 -0.584 -11.094 1.00 0.00 C ATOM 710 C LEU A 166 -18.918 -0.680 -10.131 1.00 0.00 C ATOM 711 O LEU A 166 -19.013 -1.623 -9.346 1.00 0.00 O ATOM 712 CB LEU A 166 -16.620 0.266 -10.476 1.00 0.00 C ATOM 713 CG LEU A 166 -15.276 -0.118 -11.104 1.00 0.00 C ATOM 714 CD1 LEU A 166 -15.354 0.055 -12.619 1.00 0.00 C ATOM 715 CD2 LEU A 166 -14.179 0.784 -10.541 1.00 0.00 C ATOM 0 H LEU A 166 -17.757 0.902 -12.576 1.00 0.00 H new ATOM 0 HA LEU A 166 -17.357 -1.587 -11.280 1.00 0.00 H new ATOM 0 HB2 LEU A 166 -16.820 1.325 -10.641 1.00 0.00 H new ATOM 0 HB3 LEU A 166 -16.586 0.112 -9.397 1.00 0.00 H new ATOM 0 HG LEU A 166 -15.047 -1.158 -10.871 1.00 0.00 H new ATOM 0 HD11 LEU A 166 -14.398 -0.218 -13.066 1.00 0.00 H new ATOM 0 HD12 LEU A 166 -16.138 -0.588 -13.019 1.00 0.00 H new ATOM 0 HD13 LEU A 166 -15.581 1.095 -12.855 1.00 0.00 H new ATOM 0 HD21 LEU A 166 -13.221 0.513 -10.986 1.00 0.00 H new ATOM 0 HD22 LEU A 166 -14.407 1.824 -10.775 1.00 0.00 H new ATOM 0 HD23 LEU A 166 -14.125 0.659 -9.460 1.00 0.00 H new ATOM 727 N LEU A 167 -19.801 0.307 -10.188 1.00 0.00 N ATOM 728 CA LEU A 167 -20.955 0.325 -9.303 1.00 0.00 C ATOM 729 C LEU A 167 -21.787 -0.935 -9.497 1.00 0.00 C ATOM 730 O LEU A 167 -22.260 -1.534 -8.531 1.00 0.00 O ATOM 731 CB LEU A 167 -21.817 1.561 -9.593 1.00 0.00 C ATOM 732 CG LEU A 167 -23.033 1.587 -8.652 1.00 0.00 C ATOM 733 CD1 LEU A 167 -22.564 1.680 -7.191 1.00 0.00 C ATOM 734 CD2 LEU A 167 -23.911 2.792 -8.992 1.00 0.00 C ATOM 0 H LEU A 167 -19.742 1.097 -10.830 1.00 0.00 H new ATOM 0 HA LEU A 167 -20.604 0.364 -8.272 1.00 0.00 H new ATOM 0 HB2 LEU A 167 -21.225 2.467 -9.461 1.00 0.00 H new ATOM 0 HB3 LEU A 167 -22.150 1.547 -10.631 1.00 0.00 H new ATOM 0 HG LEU A 167 -23.608 0.670 -8.780 1.00 0.00 H new ATOM 0 HD11 LEU A 167 -23.431 1.698 -6.531 1.00 0.00 H new ATOM 0 HD12 LEU A 167 -21.944 0.816 -6.952 1.00 0.00 H new ATOM 0 HD13 LEU A 167 -21.984 2.592 -7.053 1.00 0.00 H new ATOM 0 HD21 LEU A 167 -24.774 2.813 -8.326 1.00 0.00 H new ATOM 0 HD22 LEU A 167 -23.335 3.709 -8.868 1.00 0.00 H new ATOM 0 HD23 LEU A 167 -24.251 2.714 -10.025 1.00 0.00 H new ATOM 746 N GLU A 168 -21.967 -1.328 -10.750 1.00 0.00 N ATOM 747 CA GLU A 168 -22.752 -2.518 -11.058 1.00 0.00 C ATOM 748 C GLU A 168 -22.087 -3.756 -10.468 1.00 0.00 C ATOM 749 O GLU A 168 -22.762 -4.674 -10.002 1.00 0.00 O ATOM 750 CB GLU A 168 -22.885 -2.679 -12.573 1.00 0.00 C ATOM 751 CG GLU A 168 -23.729 -1.535 -13.135 1.00 0.00 C ATOM 752 CD GLU A 168 -23.843 -1.667 -14.649 1.00 0.00 C ATOM 753 OE1 GLU A 168 -23.301 -2.621 -15.183 1.00 0.00 O ATOM 754 OE2 GLU A 168 -24.471 -0.812 -15.254 1.00 0.00 O ATOM 0 H GLU A 168 -21.585 -0.846 -11.564 1.00 0.00 H new ATOM 0 HA GLU A 168 -23.744 -2.404 -10.620 1.00 0.00 H new ATOM 0 HB2 GLU A 168 -21.899 -2.680 -13.037 1.00 0.00 H new ATOM 0 HB3 GLU A 168 -23.349 -3.637 -12.808 1.00 0.00 H new ATOM 0 HG2 GLU A 168 -24.722 -1.549 -12.685 1.00 0.00 H new ATOM 0 HG3 GLU A 168 -23.276 -0.577 -12.878 1.00 0.00 H new ATOM 761 N VAL A 169 -20.759 -3.774 -10.491 1.00 0.00 N ATOM 762 CA VAL A 169 -20.005 -4.901 -9.954 1.00 0.00 C ATOM 763 C VAL A 169 -20.234 -5.033 -8.453 1.00 0.00 C ATOM 764 O VAL A 169 -20.382 -6.138 -7.932 1.00 0.00 O ATOM 765 CB VAL A 169 -18.516 -4.717 -10.235 1.00 0.00 C ATOM 766 CG1 VAL A 169 -17.728 -5.874 -9.612 1.00 0.00 C ATOM 767 CG2 VAL A 169 -18.280 -4.694 -11.748 1.00 0.00 C ATOM 0 H VAL A 169 -20.184 -3.024 -10.874 1.00 0.00 H new ATOM 0 HA VAL A 169 -20.353 -5.811 -10.442 1.00 0.00 H new ATOM 0 HB VAL A 169 -18.180 -3.776 -9.800 1.00 0.00 H new ATOM 0 HG11 VAL A 169 -16.665 -5.741 -9.814 1.00 0.00 H new ATOM 0 HG12 VAL A 169 -17.894 -5.889 -8.535 1.00 0.00 H new ATOM 0 HG13 VAL A 169 -18.064 -6.817 -10.044 1.00 0.00 H new ATOM 0 HG21 VAL A 169 -17.217 -4.563 -11.948 1.00 0.00 H new ATOM 0 HG22 VAL A 169 -18.618 -5.635 -12.183 1.00 0.00 H new ATOM 0 HG23 VAL A 169 -18.837 -3.868 -12.191 1.00 0.00 H new ATOM 777 N SER A 170 -20.252 -3.902 -7.764 1.00 0.00 N ATOM 778 CA SER A 170 -20.457 -3.900 -6.320 1.00 0.00 C ATOM 779 C SER A 170 -21.724 -4.669 -5.957 1.00 0.00 C ATOM 780 O SER A 170 -21.759 -5.391 -4.959 1.00 0.00 O ATOM 781 CB SER A 170 -20.573 -2.462 -5.808 1.00 0.00 C ATOM 782 OG SER A 170 -19.354 -1.775 -6.061 1.00 0.00 O ATOM 0 H SER A 170 -20.128 -2.978 -8.177 1.00 0.00 H new ATOM 0 HA SER A 170 -19.600 -4.386 -5.853 1.00 0.00 H new ATOM 0 HB2 SER A 170 -21.400 -1.953 -6.302 1.00 0.00 H new ATOM 0 HB3 SER A 170 -20.790 -2.460 -4.740 1.00 0.00 H new ATOM 0 HG SER A 170 -19.425 -0.853 -5.736 1.00 0.00 H new ATOM 788 N GLN A 171 -22.761 -4.516 -6.774 1.00 0.00 N ATOM 789 CA GLN A 171 -24.024 -5.207 -6.530 1.00 0.00 C ATOM 790 C GLN A 171 -23.860 -6.709 -6.736 1.00 0.00 C ATOM 791 O GLN A 171 -24.671 -7.504 -6.260 1.00 0.00 O ATOM 792 CB GLN A 171 -25.103 -4.673 -7.471 1.00 0.00 C ATOM 793 CG GLN A 171 -25.439 -3.229 -7.094 1.00 0.00 C ATOM 794 CD GLN A 171 -26.506 -2.680 -8.035 1.00 0.00 C ATOM 795 OE1 GLN A 171 -27.514 -3.342 -8.284 1.00 0.00 O ATOM 796 NE2 GLN A 171 -26.345 -1.503 -8.574 1.00 0.00 N ATOM 0 H GLN A 171 -22.754 -3.925 -7.605 1.00 0.00 H new ATOM 0 HA GLN A 171 -24.323 -5.025 -5.498 1.00 0.00 H new ATOM 0 HB2 GLN A 171 -24.756 -4.719 -8.503 1.00 0.00 H new ATOM 0 HB3 GLN A 171 -25.996 -5.294 -7.407 1.00 0.00 H new ATOM 0 HG2 GLN A 171 -25.794 -3.186 -6.064 1.00 0.00 H new ATOM 0 HG3 GLN A 171 -24.542 -2.612 -7.148 1.00 0.00 H new ATOM 0 HE21 GLN A 171 -25.509 -0.957 -8.366 1.00 0.00 H new ATOM 0 HE22 GLN A 171 -27.055 -1.129 -9.203 1.00 0.00 H new ATOM 805 N HIS A 172 -22.805 -7.092 -7.449 1.00 0.00 N ATOM 806 CA HIS A 172 -22.539 -8.501 -7.714 1.00 0.00 C ATOM 807 C HIS A 172 -22.544 -9.298 -6.415 1.00 0.00 C ATOM 808 O HIS A 172 -22.514 -10.525 -6.432 1.00 0.00 O ATOM 809 CB HIS A 172 -21.187 -8.662 -8.409 1.00 0.00 C ATOM 810 CG HIS A 172 -21.055 -10.067 -8.928 1.00 0.00 C ATOM 811 ND1 HIS A 172 -21.912 -10.584 -9.887 1.00 0.00 N ATOM 812 CD2 HIS A 172 -20.168 -11.074 -8.635 1.00 0.00 C ATOM 813 CE1 HIS A 172 -21.526 -11.849 -10.136 1.00 0.00 C ATOM 814 NE2 HIS A 172 -20.469 -12.198 -9.399 1.00 0.00 N ATOM 0 H HIS A 172 -22.123 -6.449 -7.852 1.00 0.00 H new ATOM 0 HA HIS A 172 -23.325 -8.881 -8.366 1.00 0.00 H new ATOM 0 HB2 HIS A 172 -21.101 -7.950 -9.230 1.00 0.00 H new ATOM 0 HB3 HIS A 172 -20.379 -8.443 -7.711 1.00 0.00 H new ATOM 0 HD2 HIS A 172 -19.361 -11.004 -7.921 1.00 0.00 H new ATOM 0 HE1 HIS A 172 -22.012 -12.502 -10.846 1.00 0.00 H new ATOM 0 HE2 HIS A 172 -19.985 -13.096 -9.396 1.00 0.00 H new ATOM 822 N VAL A 173 -22.574 -8.588 -5.292 1.00 0.00 N ATOM 823 CA VAL A 173 -22.584 -9.233 -3.985 1.00 0.00 C ATOM 824 C VAL A 173 -23.912 -9.935 -3.741 1.00 0.00 C ATOM 825 O VAL A 173 -24.023 -10.755 -2.834 1.00 0.00 O ATOM 826 CB VAL A 173 -22.345 -8.200 -2.888 1.00 0.00 C ATOM 827 CG1 VAL A 173 -22.450 -8.876 -1.517 1.00 0.00 C ATOM 828 CG2 VAL A 173 -20.948 -7.599 -3.053 1.00 0.00 C ATOM 0 H VAL A 173 -22.592 -7.569 -5.261 1.00 0.00 H new ATOM 0 HA VAL A 173 -21.785 -9.974 -3.965 1.00 0.00 H new ATOM 0 HB VAL A 173 -23.093 -7.411 -2.962 1.00 0.00 H new ATOM 0 HG11 VAL A 173 -22.279 -8.138 -0.733 1.00 0.00 H new ATOM 0 HG12 VAL A 173 -23.444 -9.307 -1.399 1.00 0.00 H new ATOM 0 HG13 VAL A 173 -21.701 -9.665 -1.442 1.00 0.00 H new ATOM 0 HG21 VAL A 173 -20.775 -6.860 -2.270 1.00 0.00 H new ATOM 0 HG22 VAL A 173 -20.201 -8.389 -2.978 1.00 0.00 H new ATOM 0 HG23 VAL A 173 -20.871 -7.119 -4.028 1.00 0.00 H new ATOM 925 N GLY A 179 -19.301 -10.537 0.761 1.00 0.00 N ATOM 926 CA GLY A 179 -19.216 -11.609 -0.237 1.00 0.00 C ATOM 927 C GLY A 179 -17.808 -12.196 -0.291 1.00 0.00 C ATOM 928 O GLY A 179 -16.886 -11.665 0.331 1.00 0.00 O ATOM 0 HA2 GLY A 179 -19.932 -12.394 0.006 1.00 0.00 H new ATOM 0 HA3 GLY A 179 -19.490 -11.220 -1.218 1.00 0.00 H new ATOM 932 N PHE A 180 -17.638 -13.302 -1.036 1.00 0.00 N ATOM 933 CA PHE A 180 -16.331 -13.943 -1.154 1.00 0.00 C ATOM 934 C PHE A 180 -15.895 -13.985 -2.610 1.00 0.00 C ATOM 935 O PHE A 180 -16.640 -14.438 -3.483 1.00 0.00 O ATOM 936 CB PHE A 180 -16.416 -15.368 -0.606 1.00 0.00 C ATOM 937 CG PHE A 180 -16.676 -15.318 0.882 1.00 0.00 C ATOM 938 CD1 PHE A 180 -15.604 -15.220 1.776 1.00 0.00 C ATOM 939 CD2 PHE A 180 -17.989 -15.372 1.366 1.00 0.00 C ATOM 940 CE1 PHE A 180 -15.844 -15.175 3.155 1.00 0.00 C ATOM 941 CE2 PHE A 180 -18.230 -15.326 2.745 1.00 0.00 C ATOM 942 CZ PHE A 180 -17.157 -15.228 3.639 1.00 0.00 C ATOM 0 H PHE A 180 -18.385 -13.761 -1.558 1.00 0.00 H new ATOM 0 HA PHE A 180 -15.600 -13.370 -0.583 1.00 0.00 H new ATOM 0 HB2 PHE A 180 -17.214 -15.916 -1.108 1.00 0.00 H new ATOM 0 HB3 PHE A 180 -15.488 -15.903 -0.807 1.00 0.00 H new ATOM 0 HD1 PHE A 180 -14.591 -15.179 1.403 1.00 0.00 H new ATOM 0 HD2 PHE A 180 -18.816 -15.449 0.676 1.00 0.00 H new ATOM 0 HE1 PHE A 180 -15.017 -15.099 3.845 1.00 0.00 H new ATOM 0 HE2 PHE A 180 -19.243 -15.366 3.118 1.00 0.00 H new ATOM 0 HZ PHE A 180 -17.342 -15.193 4.702 1.00 0.00 H new ATOM 952 N VAL A 181 -14.678 -13.516 -2.873 1.00 0.00 N ATOM 953 CA VAL A 181 -14.137 -13.508 -4.233 1.00 0.00 C ATOM 954 C VAL A 181 -12.665 -13.886 -4.221 1.00 0.00 C ATOM 955 O VAL A 181 -11.847 -13.229 -3.577 1.00 0.00 O ATOM 956 CB VAL A 181 -14.304 -12.119 -4.850 1.00 0.00 C ATOM 957 CG1 VAL A 181 -13.973 -12.177 -6.341 1.00 0.00 C ATOM 958 CG2 VAL A 181 -15.748 -11.652 -4.676 1.00 0.00 C ATOM 0 H VAL A 181 -14.048 -13.137 -2.166 1.00 0.00 H new ATOM 0 HA VAL A 181 -14.684 -14.239 -4.829 1.00 0.00 H new ATOM 0 HB VAL A 181 -13.630 -11.422 -4.352 1.00 0.00 H new ATOM 0 HG11 VAL A 181 -14.093 -11.186 -6.779 1.00 0.00 H new ATOM 0 HG12 VAL A 181 -12.943 -12.510 -6.472 1.00 0.00 H new ATOM 0 HG13 VAL A 181 -14.647 -12.876 -6.836 1.00 0.00 H new ATOM 0 HG21 VAL A 181 -15.866 -10.662 -5.116 1.00 0.00 H new ATOM 0 HG22 VAL A 181 -16.419 -12.352 -5.173 1.00 0.00 H new ATOM 0 HG23 VAL A 181 -15.991 -11.608 -3.614 1.00 0.00 H new ATOM 968 N ASP A 182 -12.329 -14.947 -4.951 1.00 0.00 N ATOM 969 CA ASP A 182 -10.946 -15.406 -5.034 1.00 0.00 C ATOM 970 C ASP A 182 -10.241 -14.733 -6.206 1.00 0.00 C ATOM 971 O ASP A 182 -10.853 -13.980 -6.963 1.00 0.00 O ATOM 972 CB ASP A 182 -10.904 -16.928 -5.203 1.00 0.00 C ATOM 973 CG ASP A 182 -11.991 -17.373 -6.173 1.00 0.00 C ATOM 974 OD1 ASP A 182 -13.150 -17.337 -5.790 1.00 0.00 O ATOM 975 OD2 ASP A 182 -11.650 -17.742 -7.284 1.00 0.00 O ATOM 0 H ASP A 182 -12.993 -15.502 -5.491 1.00 0.00 H new ATOM 0 HA ASP A 182 -10.432 -15.139 -4.111 1.00 0.00 H new ATOM 0 HB2 ASP A 182 -9.926 -17.234 -5.574 1.00 0.00 H new ATOM 0 HB3 ASP A 182 -11.045 -17.414 -4.237 1.00 0.00 H new ATOM 980 N PHE A 183 -8.953 -15.014 -6.352 1.00 0.00 N ATOM 981 CA PHE A 183 -8.173 -14.435 -7.436 1.00 0.00 C ATOM 982 C PHE A 183 -8.739 -14.856 -8.786 1.00 0.00 C ATOM 983 O PHE A 183 -8.834 -14.050 -9.710 1.00 0.00 O ATOM 984 CB PHE A 183 -6.712 -14.873 -7.326 1.00 0.00 C ATOM 985 CG PHE A 183 -5.873 -14.100 -8.323 1.00 0.00 C ATOM 986 CD1 PHE A 183 -5.744 -12.710 -8.194 1.00 0.00 C ATOM 987 CD2 PHE A 183 -5.228 -14.767 -9.371 1.00 0.00 C ATOM 988 CE1 PHE A 183 -4.970 -11.993 -9.108 1.00 0.00 C ATOM 989 CE2 PHE A 183 -4.453 -14.043 -10.287 1.00 0.00 C ATOM 990 CZ PHE A 183 -4.326 -12.655 -10.153 1.00 0.00 C ATOM 0 H PHE A 183 -8.429 -15.636 -5.737 1.00 0.00 H new ATOM 0 HA PHE A 183 -8.227 -13.349 -7.357 1.00 0.00 H new ATOM 0 HB2 PHE A 183 -6.345 -14.699 -6.314 1.00 0.00 H new ATOM 0 HB3 PHE A 183 -6.627 -15.943 -7.516 1.00 0.00 H new ATOM 0 HD1 PHE A 183 -6.243 -12.194 -7.387 1.00 0.00 H new ATOM 0 HD2 PHE A 183 -5.327 -15.838 -9.473 1.00 0.00 H new ATOM 0 HE1 PHE A 183 -4.870 -10.923 -9.006 1.00 0.00 H new ATOM 0 HE2 PHE A 183 -3.954 -14.555 -11.096 1.00 0.00 H new ATOM 0 HZ PHE A 183 -3.729 -12.097 -10.859 1.00 0.00 H new ATOM 1000 N GLU A 184 -9.102 -16.127 -8.899 1.00 0.00 N ATOM 1001 CA GLU A 184 -9.648 -16.640 -10.144 1.00 0.00 C ATOM 1002 C GLU A 184 -11.003 -16.015 -10.438 1.00 0.00 C ATOM 1003 O GLU A 184 -11.317 -15.717 -11.590 1.00 0.00 O ATOM 1004 CB GLU A 184 -9.794 -18.166 -10.062 1.00 0.00 C ATOM 1005 CG GLU A 184 -10.258 -18.719 -11.411 1.00 0.00 C ATOM 1006 CD GLU A 184 -10.374 -20.239 -11.344 1.00 0.00 C ATOM 1007 OE1 GLU A 184 -10.948 -20.728 -10.384 1.00 0.00 O ATOM 1008 OE2 GLU A 184 -9.888 -20.892 -12.254 1.00 0.00 O ATOM 0 H GLU A 184 -9.028 -16.815 -8.149 1.00 0.00 H new ATOM 0 HA GLU A 184 -8.962 -16.381 -10.950 1.00 0.00 H new ATOM 0 HB2 GLU A 184 -8.842 -18.616 -9.783 1.00 0.00 H new ATOM 0 HB3 GLU A 184 -10.511 -18.430 -9.285 1.00 0.00 H new ATOM 0 HG2 GLU A 184 -11.221 -18.285 -11.679 1.00 0.00 H new ATOM 0 HG3 GLU A 184 -9.552 -18.435 -12.191 1.00 0.00 H new ATOM 1015 N GLU A 185 -11.806 -15.813 -9.396 1.00 0.00 N ATOM 1016 CA GLU A 185 -13.124 -15.224 -9.571 1.00 0.00 C ATOM 1017 C GLU A 185 -13.003 -13.728 -9.834 1.00 0.00 C ATOM 1018 O GLU A 185 -13.704 -13.176 -10.682 1.00 0.00 O ATOM 1019 CB GLU A 185 -13.976 -15.479 -8.320 1.00 0.00 C ATOM 1020 CG GLU A 185 -15.460 -15.507 -8.698 1.00 0.00 C ATOM 1021 CD GLU A 185 -15.820 -14.254 -9.489 1.00 0.00 C ATOM 1022 OE1 GLU A 185 -15.484 -13.173 -9.037 1.00 0.00 O ATOM 1023 OE2 GLU A 185 -16.422 -14.395 -10.541 1.00 0.00 O ATOM 0 H GLU A 185 -11.567 -16.047 -8.432 1.00 0.00 H new ATOM 0 HA GLU A 185 -13.609 -15.687 -10.430 1.00 0.00 H new ATOM 0 HB2 GLU A 185 -13.690 -16.426 -7.861 1.00 0.00 H new ATOM 0 HB3 GLU A 185 -13.795 -14.699 -7.580 1.00 0.00 H new ATOM 0 HG2 GLU A 185 -15.676 -16.396 -9.291 1.00 0.00 H new ATOM 0 HG3 GLU A 185 -16.072 -15.567 -7.798 1.00 0.00 H new ATOM 1030 N PHE A 186 -12.101 -13.086 -9.106 1.00 0.00 N ATOM 1031 CA PHE A 186 -11.881 -11.660 -9.273 1.00 0.00 C ATOM 1032 C PHE A 186 -11.365 -11.372 -10.684 1.00 0.00 C ATOM 1033 O PHE A 186 -11.824 -10.442 -11.346 1.00 0.00 O ATOM 1034 CB PHE A 186 -10.877 -11.157 -8.215 1.00 0.00 C ATOM 1035 CG PHE A 186 -10.104 -9.972 -8.759 1.00 0.00 C ATOM 1036 CD1 PHE A 186 -10.774 -8.785 -9.073 1.00 0.00 C ATOM 1037 CD2 PHE A 186 -8.728 -10.079 -8.968 1.00 0.00 C ATOM 1038 CE1 PHE A 186 -10.065 -7.700 -9.598 1.00 0.00 C ATOM 1039 CE2 PHE A 186 -8.013 -8.992 -9.494 1.00 0.00 C ATOM 1040 CZ PHE A 186 -8.681 -7.803 -9.807 1.00 0.00 C ATOM 0 H PHE A 186 -11.514 -13.528 -8.399 1.00 0.00 H new ATOM 0 HA PHE A 186 -12.825 -11.133 -9.136 1.00 0.00 H new ATOM 0 HB2 PHE A 186 -11.406 -10.871 -7.306 1.00 0.00 H new ATOM 0 HB3 PHE A 186 -10.189 -11.958 -7.944 1.00 0.00 H new ATOM 0 HD1 PHE A 186 -11.839 -8.706 -8.910 1.00 0.00 H new ATOM 0 HD2 PHE A 186 -8.214 -10.997 -8.725 1.00 0.00 H new ATOM 0 HE1 PHE A 186 -10.582 -6.784 -9.842 1.00 0.00 H new ATOM 0 HE2 PHE A 186 -6.948 -9.073 -9.657 1.00 0.00 H new ATOM 0 HZ PHE A 186 -8.132 -6.965 -10.209 1.00 0.00 H new ATOM 1050 N VAL A 187 -10.387 -12.162 -11.117 1.00 0.00 N ATOM 1051 CA VAL A 187 -9.800 -11.972 -12.436 1.00 0.00 C ATOM 1052 C VAL A 187 -10.819 -12.280 -13.522 1.00 0.00 C ATOM 1053 O VAL A 187 -10.920 -11.561 -14.516 1.00 0.00 O ATOM 1054 CB VAL A 187 -8.571 -12.873 -12.599 1.00 0.00 C ATOM 1055 CG1 VAL A 187 -8.081 -12.821 -14.049 1.00 0.00 C ATOM 1056 CG2 VAL A 187 -7.451 -12.389 -11.669 1.00 0.00 C ATOM 0 H VAL A 187 -9.989 -12.932 -10.579 1.00 0.00 H new ATOM 0 HA VAL A 187 -9.493 -10.931 -12.532 1.00 0.00 H new ATOM 0 HB VAL A 187 -8.842 -13.897 -12.343 1.00 0.00 H new ATOM 0 HG11 VAL A 187 -7.207 -13.463 -14.161 1.00 0.00 H new ATOM 0 HG12 VAL A 187 -8.873 -13.167 -14.713 1.00 0.00 H new ATOM 0 HG13 VAL A 187 -7.814 -11.796 -14.306 1.00 0.00 H new ATOM 0 HG21 VAL A 187 -6.578 -13.031 -11.786 1.00 0.00 H new ATOM 0 HG22 VAL A 187 -7.184 -11.363 -11.924 1.00 0.00 H new ATOM 0 HG23 VAL A 187 -7.794 -12.428 -10.635 1.00 0.00 H new ATOM 1066 N GLU A 188 -11.561 -13.365 -13.331 1.00 0.00 N ATOM 1067 CA GLU A 188 -12.560 -13.777 -14.307 1.00 0.00 C ATOM 1068 C GLU A 188 -13.355 -12.575 -14.798 1.00 0.00 C ATOM 1069 O GLU A 188 -13.624 -12.439 -15.992 1.00 0.00 O ATOM 1070 CB GLU A 188 -13.511 -14.800 -13.685 1.00 0.00 C ATOM 1071 CG GLU A 188 -14.463 -15.333 -14.757 1.00 0.00 C ATOM 1072 CD GLU A 188 -15.404 -16.366 -14.150 1.00 0.00 C ATOM 1073 OE1 GLU A 188 -15.956 -16.090 -13.098 1.00 0.00 O ATOM 1074 OE2 GLU A 188 -15.561 -17.421 -14.746 1.00 0.00 O ATOM 0 H GLU A 188 -11.490 -13.971 -12.514 1.00 0.00 H new ATOM 0 HA GLU A 188 -12.046 -14.230 -15.154 1.00 0.00 H new ATOM 0 HB2 GLU A 188 -12.943 -15.621 -13.248 1.00 0.00 H new ATOM 0 HB3 GLU A 188 -14.079 -14.339 -12.877 1.00 0.00 H new ATOM 0 HG2 GLU A 188 -15.038 -14.512 -15.185 1.00 0.00 H new ATOM 0 HG3 GLU A 188 -13.893 -15.782 -15.571 1.00 0.00 H new ATOM 1081 N LEU A 189 -13.731 -11.704 -13.871 1.00 0.00 N ATOM 1082 CA LEU A 189 -14.497 -10.520 -14.228 1.00 0.00 C ATOM 1083 C LEU A 189 -13.701 -9.626 -15.173 1.00 0.00 C ATOM 1084 O LEU A 189 -14.234 -9.116 -16.159 1.00 0.00 O ATOM 1085 CB LEU A 189 -14.865 -9.731 -12.964 1.00 0.00 C ATOM 1086 CG LEU A 189 -15.592 -8.433 -13.343 1.00 0.00 C ATOM 1087 CD1 LEU A 189 -16.829 -8.759 -14.198 1.00 0.00 C ATOM 1088 CD2 LEU A 189 -16.024 -7.704 -12.071 1.00 0.00 C ATOM 0 H LEU A 189 -13.520 -11.794 -12.877 1.00 0.00 H new ATOM 0 HA LEU A 189 -15.407 -10.842 -14.734 1.00 0.00 H new ATOM 0 HB2 LEU A 189 -15.501 -10.338 -12.320 1.00 0.00 H new ATOM 0 HB3 LEU A 189 -13.964 -9.499 -12.396 1.00 0.00 H new ATOM 0 HG LEU A 189 -14.919 -7.796 -13.917 1.00 0.00 H new ATOM 0 HD11 LEU A 189 -17.341 -7.834 -14.464 1.00 0.00 H new ATOM 0 HD12 LEU A 189 -16.518 -9.276 -15.106 1.00 0.00 H new ATOM 0 HD13 LEU A 189 -17.505 -9.398 -13.630 1.00 0.00 H new ATOM 0 HD21 LEU A 189 -16.540 -6.782 -12.338 1.00 0.00 H new ATOM 0 HD22 LEU A 189 -16.695 -8.342 -11.496 1.00 0.00 H new ATOM 0 HD23 LEU A 189 -15.145 -7.467 -11.471 1.00 0.00 H new ATOM 1100 N ILE A 190 -12.425 -9.432 -14.861 1.00 0.00 N ATOM 1101 CA ILE A 190 -11.569 -8.592 -15.687 1.00 0.00 C ATOM 1102 C ILE A 190 -11.266 -9.279 -17.014 1.00 0.00 C ATOM 1103 O ILE A 190 -11.106 -8.620 -18.043 1.00 0.00 O ATOM 1104 CB ILE A 190 -10.260 -8.297 -14.950 1.00 0.00 C ATOM 1105 CG1 ILE A 190 -10.554 -7.445 -13.714 1.00 0.00 C ATOM 1106 CG2 ILE A 190 -9.307 -7.537 -15.877 1.00 0.00 C ATOM 1107 CD1 ILE A 190 -9.306 -7.370 -12.834 1.00 0.00 C ATOM 0 H ILE A 190 -11.964 -9.842 -14.049 1.00 0.00 H new ATOM 0 HA ILE A 190 -12.091 -7.656 -15.887 1.00 0.00 H new ATOM 0 HB ILE A 190 -9.797 -9.236 -14.646 1.00 0.00 H new ATOM 0 HG12 ILE A 190 -10.860 -6.443 -14.015 1.00 0.00 H new ATOM 0 HG13 ILE A 190 -11.382 -7.876 -13.152 1.00 0.00 H new ATOM 0 HG21 ILE A 190 -8.376 -7.328 -15.350 1.00 0.00 H new ATOM 0 HG22 ILE A 190 -9.097 -8.143 -16.759 1.00 0.00 H new ATOM 0 HG23 ILE A 190 -9.769 -6.598 -16.183 1.00 0.00 H new ATOM 0 HD11 ILE A 190 -9.517 -6.763 -11.954 1.00 0.00 H new ATOM 0 HD12 ILE A 190 -9.020 -8.374 -12.522 1.00 0.00 H new ATOM 0 HD13 ILE A 190 -8.489 -6.919 -13.398 1.00 0.00 H new ATOM 1119 N SER A 191 -11.182 -10.605 -16.981 1.00 0.00 N ATOM 1120 CA SER A 191 -10.890 -11.371 -18.188 1.00 0.00 C ATOM 1121 C SER A 191 -12.143 -11.529 -19.043 1.00 0.00 C ATOM 1122 O SER A 191 -13.221 -11.267 -18.531 1.00 0.00 O ATOM 1123 CB SER A 191 -10.349 -12.749 -17.812 1.00 0.00 C ATOM 1124 OG SER A 191 -11.413 -13.556 -17.326 1.00 0.00 O ATOM 0 H SER A 191 -11.311 -11.168 -16.140 1.00 0.00 H new ATOM 0 HA SER A 191 -10.139 -10.830 -18.765 1.00 0.00 H new ATOM 0 HB2 SER A 191 -9.887 -13.220 -18.680 1.00 0.00 H new ATOM 0 HB3 SER A 191 -9.574 -12.653 -17.052 1.00 0.00 H new ATOM 0 HG SER A 191 -12.091 -12.986 -16.907 1.00 0.00 H new