USER MOD reduce.3.24.130724 H: found=0, std=0, add=466, rem=0, adj=9 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 170 SER OG : rot -90:sc= 1.08 USER MOD Set 1.2: A 171 GLN : amide:sc= -5.21! C(o=-4.1!,f=-6.8!) USER MOD Single : A 131 GLN : amide:sc= -7.84! C(o=-7.8!,f=-7.3!) USER MOD Single : A 139 THR OG1 : rot 180:sc= 0 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 147 TYR OH : rot 180:sc= 0 USER MOD Single : A 153 CYS SG : rot -45:sc= 0.184 USER MOD Single : A 154 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 156 THR OG1 : rot 80:sc= 0.679 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 USER MOD Single : A 164 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 172 HIS : no HD1:sc= -0.228 K(o=-0.23,f=-1) USER MOD Single : A 191 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 58 N GLY A 123 1.459 -11.053 -21.881 1.00 0.00 N ATOM 59 CA GLY A 123 0.547 -12.148 -21.561 1.00 0.00 C ATOM 60 C GLY A 123 0.744 -12.603 -20.118 1.00 0.00 C ATOM 61 O GLY A 123 -0.020 -12.230 -19.229 1.00 0.00 O ATOM 0 HA2 GLY A 123 -0.484 -11.826 -21.709 1.00 0.00 H new ATOM 0 HA3 GLY A 123 0.721 -12.984 -22.239 1.00 0.00 H new ATOM 65 N PRO A 124 1.751 -13.401 -19.876 1.00 0.00 N ATOM 66 CA PRO A 124 2.058 -13.922 -18.509 1.00 0.00 C ATOM 67 C PRO A 124 2.493 -12.808 -17.559 1.00 0.00 C ATOM 68 O PRO A 124 2.289 -12.897 -16.349 1.00 0.00 O ATOM 69 CB PRO A 124 3.198 -14.929 -18.747 1.00 0.00 C ATOM 70 CG PRO A 124 3.830 -14.507 -20.036 1.00 0.00 C ATOM 71 CD PRO A 124 2.715 -13.886 -20.877 1.00 0.00 C ATOM 0 HA PRO A 124 1.187 -14.372 -18.034 1.00 0.00 H new ATOM 0 HB2 PRO A 124 3.919 -14.909 -17.930 1.00 0.00 H new ATOM 0 HB3 PRO A 124 2.817 -15.948 -18.810 1.00 0.00 H new ATOM 0 HG2 PRO A 124 4.630 -13.788 -19.860 1.00 0.00 H new ATOM 0 HG3 PRO A 124 4.275 -15.360 -20.549 1.00 0.00 H new ATOM 0 HD2 PRO A 124 3.089 -13.073 -21.500 1.00 0.00 H new ATOM 0 HD3 PRO A 124 2.263 -14.618 -21.546 1.00 0.00 H new ATOM 79 N GLU A 125 3.101 -11.766 -18.119 1.00 0.00 N ATOM 80 CA GLU A 125 3.567 -10.648 -17.313 1.00 0.00 C ATOM 81 C GLU A 125 2.390 -9.931 -16.667 1.00 0.00 C ATOM 82 O GLU A 125 2.419 -9.614 -15.479 1.00 0.00 O ATOM 83 CB GLU A 125 4.352 -9.668 -18.187 1.00 0.00 C ATOM 84 CG GLU A 125 5.668 -10.314 -18.630 1.00 0.00 C ATOM 85 CD GLU A 125 6.410 -9.385 -19.584 1.00 0.00 C ATOM 86 OE1 GLU A 125 5.879 -8.324 -19.878 1.00 0.00 O ATOM 87 OE2 GLU A 125 7.494 -9.745 -20.009 1.00 0.00 O ATOM 0 H GLU A 125 3.280 -11.675 -19.119 1.00 0.00 H new ATOM 0 HA GLU A 125 4.218 -11.033 -16.528 1.00 0.00 H new ATOM 0 HB2 GLU A 125 3.761 -9.389 -19.059 1.00 0.00 H new ATOM 0 HB3 GLU A 125 4.554 -8.752 -17.632 1.00 0.00 H new ATOM 0 HG2 GLU A 125 6.289 -10.527 -17.760 1.00 0.00 H new ATOM 0 HG3 GLU A 125 5.468 -11.267 -19.120 1.00 0.00 H new ATOM 94 N GLU A 126 1.353 -9.685 -17.459 1.00 0.00 N ATOM 95 CA GLU A 126 0.164 -9.012 -16.952 1.00 0.00 C ATOM 96 C GLU A 126 -0.569 -9.908 -15.968 1.00 0.00 C ATOM 97 O GLU A 126 -0.922 -9.487 -14.866 1.00 0.00 O ATOM 98 CB GLU A 126 -0.765 -8.644 -18.110 1.00 0.00 C ATOM 99 CG GLU A 126 -0.097 -7.579 -18.981 1.00 0.00 C ATOM 100 CD GLU A 126 -0.984 -7.252 -20.178 1.00 0.00 C ATOM 101 OE1 GLU A 126 -2.065 -7.811 -20.259 1.00 0.00 O ATOM 102 OE2 GLU A 126 -0.568 -6.446 -20.996 1.00 0.00 O ATOM 0 H GLU A 126 1.311 -9.939 -18.446 1.00 0.00 H new ATOM 0 HA GLU A 126 0.472 -8.101 -16.438 1.00 0.00 H new ATOM 0 HB2 GLU A 126 -0.989 -9.529 -18.706 1.00 0.00 H new ATOM 0 HB3 GLU A 126 -1.714 -8.271 -17.725 1.00 0.00 H new ATOM 0 HG2 GLU A 126 0.083 -6.678 -18.394 1.00 0.00 H new ATOM 0 HG3 GLU A 126 0.874 -7.935 -19.324 1.00 0.00 H new ATOM 109 N LEU A 127 -0.812 -11.147 -16.374 1.00 0.00 N ATOM 110 CA LEU A 127 -1.522 -12.079 -15.520 1.00 0.00 C ATOM 111 C LEU A 127 -0.799 -12.222 -14.185 1.00 0.00 C ATOM 112 O LEU A 127 -1.412 -12.152 -13.122 1.00 0.00 O ATOM 113 CB LEU A 127 -1.605 -13.458 -16.214 1.00 0.00 C ATOM 114 CG LEU A 127 -2.880 -14.194 -15.764 1.00 0.00 C ATOM 115 CD1 LEU A 127 -2.912 -14.281 -14.229 1.00 0.00 C ATOM 116 CD2 LEU A 127 -4.130 -13.433 -16.276 1.00 0.00 C ATOM 0 H LEU A 127 -0.530 -11.523 -17.279 1.00 0.00 H new ATOM 0 HA LEU A 127 -2.528 -11.700 -15.340 1.00 0.00 H new ATOM 0 HB2 LEU A 127 -1.611 -13.330 -17.296 1.00 0.00 H new ATOM 0 HB3 LEU A 127 -0.725 -14.052 -15.968 1.00 0.00 H new ATOM 0 HG LEU A 127 -2.881 -15.202 -16.179 1.00 0.00 H new ATOM 0 HD11 LEU A 127 -3.816 -14.802 -13.913 1.00 0.00 H new ATOM 0 HD12 LEU A 127 -2.036 -14.826 -13.877 1.00 0.00 H new ATOM 0 HD13 LEU A 127 -2.907 -13.276 -13.807 1.00 0.00 H new ATOM 0 HD21 LEU A 127 -5.031 -13.956 -15.956 1.00 0.00 H new ATOM 0 HD22 LEU A 127 -4.133 -12.422 -15.868 1.00 0.00 H new ATOM 0 HD23 LEU A 127 -4.106 -13.385 -17.365 1.00 0.00 H new ATOM 128 N GLU A 128 0.504 -12.416 -14.249 1.00 0.00 N ATOM 129 CA GLU A 128 1.296 -12.566 -13.037 1.00 0.00 C ATOM 130 C GLU A 128 1.225 -11.289 -12.208 1.00 0.00 C ATOM 131 O GLU A 128 1.208 -11.334 -10.978 1.00 0.00 O ATOM 132 CB GLU A 128 2.752 -12.864 -13.399 1.00 0.00 C ATOM 133 CG GLU A 128 3.556 -13.121 -12.122 1.00 0.00 C ATOM 134 CD GLU A 128 4.999 -13.467 -12.473 1.00 0.00 C ATOM 135 OE1 GLU A 128 5.247 -13.793 -13.623 1.00 0.00 O ATOM 136 OE2 GLU A 128 5.836 -13.394 -11.590 1.00 0.00 O ATOM 0 H GLU A 128 1.036 -12.474 -15.118 1.00 0.00 H new ATOM 0 HA GLU A 128 0.895 -13.395 -12.453 1.00 0.00 H new ATOM 0 HB2 GLU A 128 2.804 -13.733 -14.055 1.00 0.00 H new ATOM 0 HB3 GLU A 128 3.180 -12.025 -13.948 1.00 0.00 H new ATOM 0 HG2 GLU A 128 3.530 -12.238 -11.483 1.00 0.00 H new ATOM 0 HG3 GLU A 128 3.105 -13.937 -11.557 1.00 0.00 H new ATOM 143 N GLU A 129 1.184 -10.148 -12.890 1.00 0.00 N ATOM 144 CA GLU A 129 1.117 -8.863 -12.206 1.00 0.00 C ATOM 145 C GLU A 129 -0.144 -8.788 -11.353 1.00 0.00 C ATOM 146 O GLU A 129 -0.129 -8.245 -10.250 1.00 0.00 O ATOM 147 CB GLU A 129 1.115 -7.725 -13.229 1.00 0.00 C ATOM 148 CG GLU A 129 1.314 -6.390 -12.508 1.00 0.00 C ATOM 149 CD GLU A 129 2.747 -6.288 -11.995 1.00 0.00 C ATOM 150 OE1 GLU A 129 3.539 -7.152 -12.330 1.00 0.00 O ATOM 151 OE2 GLU A 129 3.032 -5.344 -11.277 1.00 0.00 O ATOM 0 H GLU A 129 1.196 -10.088 -13.908 1.00 0.00 H new ATOM 0 HA GLU A 129 1.990 -8.764 -11.561 1.00 0.00 H new ATOM 0 HB2 GLU A 129 1.909 -7.878 -13.960 1.00 0.00 H new ATOM 0 HB3 GLU A 129 0.173 -7.717 -13.778 1.00 0.00 H new ATOM 0 HG2 GLU A 129 1.102 -5.564 -13.187 1.00 0.00 H new ATOM 0 HG3 GLU A 129 0.614 -6.307 -11.677 1.00 0.00 H new ATOM 158 N LEU A 130 -1.232 -9.344 -11.871 1.00 0.00 N ATOM 159 CA LEU A 130 -2.497 -9.341 -11.146 1.00 0.00 C ATOM 160 C LEU A 130 -2.364 -10.116 -9.845 1.00 0.00 C ATOM 161 O LEU A 130 -2.890 -9.708 -8.810 1.00 0.00 O ATOM 162 CB LEU A 130 -3.594 -9.973 -12.007 1.00 0.00 C ATOM 163 CG LEU A 130 -3.900 -9.060 -13.200 1.00 0.00 C ATOM 164 CD1 LEU A 130 -4.824 -9.791 -14.183 1.00 0.00 C ATOM 165 CD2 LEU A 130 -4.583 -7.763 -12.717 1.00 0.00 C ATOM 0 H LEU A 130 -1.265 -9.799 -12.783 1.00 0.00 H new ATOM 0 HA LEU A 130 -2.763 -8.309 -10.919 1.00 0.00 H new ATOM 0 HB2 LEU A 130 -3.274 -10.954 -12.359 1.00 0.00 H new ATOM 0 HB3 LEU A 130 -4.495 -10.126 -11.412 1.00 0.00 H new ATOM 0 HG LEU A 130 -2.965 -8.804 -13.698 1.00 0.00 H new ATOM 0 HD11 LEU A 130 -5.041 -9.141 -15.031 1.00 0.00 H new ATOM 0 HD12 LEU A 130 -4.334 -10.698 -14.537 1.00 0.00 H new ATOM 0 HD13 LEU A 130 -5.755 -10.054 -13.680 1.00 0.00 H new ATOM 0 HD21 LEU A 130 -4.795 -7.123 -13.573 1.00 0.00 H new ATOM 0 HD22 LEU A 130 -5.515 -8.010 -12.209 1.00 0.00 H new ATOM 0 HD23 LEU A 130 -3.922 -7.239 -12.027 1.00 0.00 H new ATOM 177 N GLN A 131 -1.656 -11.234 -9.904 1.00 0.00 N ATOM 178 CA GLN A 131 -1.456 -12.058 -8.719 1.00 0.00 C ATOM 179 C GLN A 131 -0.690 -11.286 -7.654 1.00 0.00 C ATOM 180 O GLN A 131 -1.033 -11.335 -6.473 1.00 0.00 O ATOM 181 CB GLN A 131 -0.683 -13.328 -9.087 1.00 0.00 C ATOM 182 CG GLN A 131 -0.635 -14.276 -7.880 1.00 0.00 C ATOM 183 CD GLN A 131 0.423 -13.804 -6.887 1.00 0.00 C ATOM 184 OE1 GLN A 131 1.362 -13.104 -7.263 1.00 0.00 O ATOM 185 NE2 GLN A 131 0.319 -14.141 -5.631 1.00 0.00 N ATOM 0 H GLN A 131 -1.213 -11.590 -10.751 1.00 0.00 H new ATOM 0 HA GLN A 131 -2.434 -12.331 -8.322 1.00 0.00 H new ATOM 0 HB2 GLN A 131 -1.161 -13.824 -9.932 1.00 0.00 H new ATOM 0 HB3 GLN A 131 0.329 -13.071 -9.400 1.00 0.00 H new ATOM 0 HG2 GLN A 131 -1.611 -14.311 -7.395 1.00 0.00 H new ATOM 0 HG3 GLN A 131 -0.408 -15.289 -8.212 1.00 0.00 H new ATOM 0 HE21 GLN A 131 -0.461 -14.722 -5.322 1.00 0.00 H new ATOM 0 HE22 GLN A 131 1.017 -13.824 -4.958 1.00 0.00 H new ATOM 194 N ALA A 132 0.344 -10.574 -8.079 1.00 0.00 N ATOM 195 CA ALA A 132 1.153 -9.795 -7.151 1.00 0.00 C ATOM 196 C ALA A 132 0.286 -8.781 -6.416 1.00 0.00 C ATOM 197 O ALA A 132 0.499 -8.505 -5.235 1.00 0.00 O ATOM 198 CB ALA A 132 2.265 -9.065 -7.908 1.00 0.00 C ATOM 0 H ALA A 132 0.642 -10.519 -9.053 1.00 0.00 H new ATOM 0 HA ALA A 132 1.598 -10.475 -6.425 1.00 0.00 H new ATOM 0 HB1 ALA A 132 2.864 -8.486 -7.205 1.00 0.00 H new ATOM 0 HB2 ALA A 132 2.900 -9.793 -8.412 1.00 0.00 H new ATOM 0 HB3 ALA A 132 1.824 -8.396 -8.646 1.00 0.00 H new ATOM 204 N ALA A 133 -0.700 -8.236 -7.118 1.00 0.00 N ATOM 205 CA ALA A 133 -1.597 -7.260 -6.518 1.00 0.00 C ATOM 206 C ALA A 133 -2.455 -7.915 -5.442 1.00 0.00 C ATOM 207 O ALA A 133 -2.628 -7.370 -4.354 1.00 0.00 O ATOM 208 CB ALA A 133 -2.503 -6.654 -7.593 1.00 0.00 C ATOM 0 H ALA A 133 -0.897 -8.452 -8.095 1.00 0.00 H new ATOM 0 HA ALA A 133 -0.996 -6.473 -6.062 1.00 0.00 H new ATOM 0 HB1 ALA A 133 -3.172 -5.924 -7.136 1.00 0.00 H new ATOM 0 HB2 ALA A 133 -1.891 -6.162 -8.349 1.00 0.00 H new ATOM 0 HB3 ALA A 133 -3.092 -7.443 -8.060 1.00 0.00 H new ATOM 214 N PHE A 134 -2.982 -9.094 -5.754 1.00 0.00 N ATOM 215 CA PHE A 134 -3.821 -9.818 -4.810 1.00 0.00 C ATOM 216 C PHE A 134 -3.079 -10.023 -3.495 1.00 0.00 C ATOM 217 O PHE A 134 -3.679 -10.001 -2.423 1.00 0.00 O ATOM 218 CB PHE A 134 -4.218 -11.179 -5.396 1.00 0.00 C ATOM 219 CG PHE A 134 -5.439 -11.707 -4.673 1.00 0.00 C ATOM 220 CD1 PHE A 134 -6.694 -11.144 -4.924 1.00 0.00 C ATOM 221 CD2 PHE A 134 -5.312 -12.757 -3.754 1.00 0.00 C ATOM 222 CE1 PHE A 134 -7.825 -11.628 -4.255 1.00 0.00 C ATOM 223 CE2 PHE A 134 -6.441 -13.241 -3.088 1.00 0.00 C ATOM 224 CZ PHE A 134 -7.699 -12.678 -3.337 1.00 0.00 C ATOM 0 H PHE A 134 -2.844 -9.565 -6.648 1.00 0.00 H new ATOM 0 HA PHE A 134 -4.721 -9.232 -4.623 1.00 0.00 H new ATOM 0 HB2 PHE A 134 -4.428 -11.080 -6.461 1.00 0.00 H new ATOM 0 HB3 PHE A 134 -3.392 -11.883 -5.298 1.00 0.00 H new ATOM 0 HD1 PHE A 134 -6.791 -10.336 -5.634 1.00 0.00 H new ATOM 0 HD2 PHE A 134 -4.342 -13.192 -3.561 1.00 0.00 H new ATOM 0 HE1 PHE A 134 -8.794 -11.192 -4.447 1.00 0.00 H new ATOM 0 HE2 PHE A 134 -6.343 -14.051 -2.380 1.00 0.00 H new ATOM 0 HZ PHE A 134 -8.571 -13.053 -2.822 1.00 0.00 H new ATOM 234 N GLU A 135 -1.772 -10.229 -3.588 1.00 0.00 N ATOM 235 CA GLU A 135 -0.957 -10.439 -2.398 1.00 0.00 C ATOM 236 C GLU A 135 -1.001 -9.209 -1.498 1.00 0.00 C ATOM 237 O GLU A 135 -1.059 -9.325 -0.273 1.00 0.00 O ATOM 238 CB GLU A 135 0.492 -10.729 -2.802 1.00 0.00 C ATOM 239 CG GLU A 135 0.554 -12.037 -3.591 1.00 0.00 C ATOM 240 CD GLU A 135 0.191 -13.209 -2.687 1.00 0.00 C ATOM 241 OE1 GLU A 135 0.271 -13.048 -1.481 1.00 0.00 O ATOM 242 OE2 GLU A 135 -0.164 -14.250 -3.214 1.00 0.00 O ATOM 0 H GLU A 135 -1.256 -10.255 -4.468 1.00 0.00 H new ATOM 0 HA GLU A 135 -1.358 -11.292 -1.850 1.00 0.00 H new ATOM 0 HB2 GLU A 135 0.882 -9.910 -3.406 1.00 0.00 H new ATOM 0 HB3 GLU A 135 1.121 -10.798 -1.914 1.00 0.00 H new ATOM 0 HG2 GLU A 135 -0.132 -11.994 -4.437 1.00 0.00 H new ATOM 0 HG3 GLU A 135 1.555 -12.178 -3.999 1.00 0.00 H new ATOM 249 N GLU A 136 -0.979 -8.032 -2.114 1.00 0.00 N ATOM 250 CA GLU A 136 -1.022 -6.786 -1.360 1.00 0.00 C ATOM 251 C GLU A 136 -2.401 -6.586 -0.736 1.00 0.00 C ATOM 252 O GLU A 136 -2.524 -6.086 0.383 1.00 0.00 O ATOM 253 CB GLU A 136 -0.702 -5.607 -2.280 1.00 0.00 C ATOM 254 CG GLU A 136 0.759 -5.690 -2.726 1.00 0.00 C ATOM 255 CD GLU A 136 1.070 -4.567 -3.710 1.00 0.00 C ATOM 256 OE1 GLU A 136 0.832 -4.758 -4.892 1.00 0.00 O ATOM 257 OE2 GLU A 136 1.541 -3.533 -3.268 1.00 0.00 O ATOM 0 H GLU A 136 -0.932 -7.915 -3.126 1.00 0.00 H new ATOM 0 HA GLU A 136 -0.278 -6.838 -0.565 1.00 0.00 H new ATOM 0 HB2 GLU A 136 -1.360 -5.621 -3.149 1.00 0.00 H new ATOM 0 HB3 GLU A 136 -0.882 -4.666 -1.759 1.00 0.00 H new ATOM 0 HG2 GLU A 136 1.417 -5.618 -1.860 1.00 0.00 H new ATOM 0 HG3 GLU A 136 0.951 -6.656 -3.192 1.00 0.00 H new ATOM 264 N PHE A 137 -3.433 -6.985 -1.470 1.00 0.00 N ATOM 265 CA PHE A 137 -4.801 -6.853 -0.981 1.00 0.00 C ATOM 266 C PHE A 137 -5.114 -7.928 0.050 1.00 0.00 C ATOM 267 O PHE A 137 -5.726 -7.652 1.082 1.00 0.00 O ATOM 268 CB PHE A 137 -5.789 -6.956 -2.144 1.00 0.00 C ATOM 269 CG PHE A 137 -5.742 -5.686 -2.965 1.00 0.00 C ATOM 270 CD1 PHE A 137 -6.247 -4.493 -2.431 1.00 0.00 C ATOM 271 CD2 PHE A 137 -5.192 -5.698 -4.253 1.00 0.00 C ATOM 272 CE1 PHE A 137 -6.203 -3.315 -3.186 1.00 0.00 C ATOM 273 CE2 PHE A 137 -5.146 -4.520 -5.005 1.00 0.00 C ATOM 274 CZ PHE A 137 -5.652 -3.329 -4.471 1.00 0.00 C ATOM 0 H PHE A 137 -3.351 -7.399 -2.398 1.00 0.00 H new ATOM 0 HA PHE A 137 -4.898 -5.876 -0.508 1.00 0.00 H new ATOM 0 HB2 PHE A 137 -5.542 -7.814 -2.769 1.00 0.00 H new ATOM 0 HB3 PHE A 137 -6.798 -7.118 -1.764 1.00 0.00 H new ATOM 0 HD1 PHE A 137 -6.670 -4.482 -1.437 1.00 0.00 H new ATOM 0 HD2 PHE A 137 -4.803 -6.617 -4.665 1.00 0.00 H new ATOM 0 HE1 PHE A 137 -6.595 -2.396 -2.776 1.00 0.00 H new ATOM 0 HE2 PHE A 137 -4.720 -4.529 -5.997 1.00 0.00 H new ATOM 0 HZ PHE A 137 -5.617 -2.420 -5.052 1.00 0.00 H new ATOM 284 N ASP A 138 -4.691 -9.155 -0.236 1.00 0.00 N ATOM 285 CA ASP A 138 -4.934 -10.272 0.673 1.00 0.00 C ATOM 286 C ASP A 138 -3.746 -10.470 1.603 1.00 0.00 C ATOM 287 O ASP A 138 -3.014 -11.453 1.490 1.00 0.00 O ATOM 288 CB ASP A 138 -5.177 -11.552 -0.130 1.00 0.00 C ATOM 289 CG ASP A 138 -5.691 -12.652 0.790 1.00 0.00 C ATOM 290 OD1 ASP A 138 -5.754 -12.415 1.987 1.00 0.00 O ATOM 291 OD2 ASP A 138 -6.018 -13.713 0.287 1.00 0.00 O ATOM 0 H ASP A 138 -4.181 -9.401 -1.084 1.00 0.00 H new ATOM 0 HA ASP A 138 -5.816 -10.046 1.273 1.00 0.00 H new ATOM 0 HB2 ASP A 138 -5.900 -11.362 -0.923 1.00 0.00 H new ATOM 0 HB3 ASP A 138 -4.252 -11.871 -0.611 1.00 0.00 H new ATOM 296 N THR A 139 -3.560 -9.531 2.523 1.00 0.00 N ATOM 297 CA THR A 139 -2.458 -9.612 3.473 1.00 0.00 C ATOM 298 C THR A 139 -2.573 -10.865 4.327 1.00 0.00 C ATOM 299 O THR A 139 -1.592 -11.565 4.568 1.00 0.00 O ATOM 300 CB THR A 139 -2.453 -8.376 4.371 1.00 0.00 C ATOM 301 OG1 THR A 139 -1.269 -8.362 5.157 1.00 0.00 O ATOM 302 CG2 THR A 139 -3.677 -8.394 5.283 1.00 0.00 C ATOM 0 H THR A 139 -4.154 -8.709 2.631 1.00 0.00 H new ATOM 0 HA THR A 139 -1.524 -9.658 2.912 1.00 0.00 H new ATOM 0 HB THR A 139 -2.484 -7.481 3.750 1.00 0.00 H new ATOM 0 HG1 THR A 139 -1.267 -7.568 5.731 1.00 0.00 H new ATOM 0 HG21 THR A 139 -3.668 -7.510 5.921 1.00 0.00 H new ATOM 0 HG22 THR A 139 -4.583 -8.395 4.676 1.00 0.00 H new ATOM 0 HG23 THR A 139 -3.655 -9.290 5.904 1.00 0.00 H new ATOM 310 N ASP A 140 -3.779 -11.127 4.782 1.00 0.00 N ATOM 311 CA ASP A 140 -4.035 -12.303 5.623 1.00 0.00 C ATOM 312 C ASP A 140 -3.892 -13.589 4.810 1.00 0.00 C ATOM 313 O ASP A 140 -3.745 -14.678 5.368 1.00 0.00 O ATOM 314 CB ASP A 140 -5.440 -12.238 6.225 1.00 0.00 C ATOM 315 CG ASP A 140 -5.630 -10.917 6.961 1.00 0.00 C ATOM 316 OD1 ASP A 140 -4.791 -10.594 7.787 1.00 0.00 O ATOM 317 OD2 ASP A 140 -6.611 -10.247 6.687 1.00 0.00 O ATOM 0 H ASP A 140 -4.601 -10.553 4.592 1.00 0.00 H new ATOM 0 HA ASP A 140 -3.299 -12.305 6.427 1.00 0.00 H new ATOM 0 HB2 ASP A 140 -6.187 -12.336 5.437 1.00 0.00 H new ATOM 0 HB3 ASP A 140 -5.590 -13.071 6.912 1.00 0.00 H new ATOM 322 N GLN A 141 -3.936 -13.458 3.488 1.00 0.00 N ATOM 323 CA GLN A 141 -3.813 -14.608 2.606 1.00 0.00 C ATOM 324 C GLN A 141 -4.965 -15.580 2.836 1.00 0.00 C ATOM 325 O GLN A 141 -4.770 -16.792 2.885 1.00 0.00 O ATOM 326 CB GLN A 141 -2.479 -15.318 2.860 1.00 0.00 C ATOM 327 CG GLN A 141 -2.131 -16.199 1.658 1.00 0.00 C ATOM 328 CD GLN A 141 -0.788 -16.883 1.882 1.00 0.00 C ATOM 329 OE1 GLN A 141 -0.012 -16.460 2.737 1.00 0.00 O ATOM 330 NE2 GLN A 141 -0.469 -17.922 1.162 1.00 0.00 N ATOM 0 H GLN A 141 -4.056 -12.567 3.006 1.00 0.00 H new ATOM 0 HA GLN A 141 -3.847 -14.261 1.573 1.00 0.00 H new ATOM 0 HB2 GLN A 141 -1.690 -14.584 3.026 1.00 0.00 H new ATOM 0 HB3 GLN A 141 -2.545 -15.926 3.763 1.00 0.00 H new ATOM 0 HG2 GLN A 141 -2.909 -16.948 1.509 1.00 0.00 H new ATOM 0 HG3 GLN A 141 -2.093 -15.594 0.752 1.00 0.00 H new ATOM 0 HE21 GLN A 141 -1.116 -18.270 0.454 1.00 0.00 H new ATOM 0 HE22 GLN A 141 0.427 -18.387 1.307 1.00 0.00 H new ATOM 339 N ASP A 142 -6.169 -15.039 2.988 1.00 0.00 N ATOM 340 CA ASP A 142 -7.347 -15.871 3.219 1.00 0.00 C ATOM 341 C ASP A 142 -7.922 -16.359 1.893 1.00 0.00 C ATOM 342 O ASP A 142 -8.874 -17.138 1.870 1.00 0.00 O ATOM 343 CB ASP A 142 -8.407 -15.072 3.974 1.00 0.00 C ATOM 344 CG ASP A 142 -7.882 -14.684 5.353 1.00 0.00 C ATOM 345 OD1 ASP A 142 -7.032 -15.395 5.864 1.00 0.00 O ATOM 346 OD2 ASP A 142 -8.341 -13.682 5.877 1.00 0.00 O ATOM 0 H ASP A 142 -6.356 -14.037 2.956 1.00 0.00 H new ATOM 0 HA ASP A 142 -7.051 -16.735 3.815 1.00 0.00 H new ATOM 0 HB2 ASP A 142 -8.670 -14.177 3.410 1.00 0.00 H new ATOM 0 HB3 ASP A 142 -9.317 -15.663 4.075 1.00 0.00 H new ATOM 351 N GLY A 143 -7.339 -15.897 0.793 1.00 0.00 N ATOM 352 CA GLY A 143 -7.804 -16.292 -0.533 1.00 0.00 C ATOM 353 C GLY A 143 -8.985 -15.436 -0.969 1.00 0.00 C ATOM 354 O GLY A 143 -9.584 -15.677 -2.015 1.00 0.00 O ATOM 0 H GLY A 143 -6.548 -15.253 0.791 1.00 0.00 H new ATOM 0 HA2 GLY A 143 -6.992 -16.192 -1.253 1.00 0.00 H new ATOM 0 HA3 GLY A 143 -8.094 -17.343 -0.523 1.00 0.00 H new ATOM 358 N TYR A 144 -9.318 -14.435 -0.160 1.00 0.00 N ATOM 359 CA TYR A 144 -10.438 -13.546 -0.474 1.00 0.00 C ATOM 360 C TYR A 144 -10.119 -12.123 -0.044 1.00 0.00 C ATOM 361 O TYR A 144 -9.329 -11.905 0.872 1.00 0.00 O ATOM 362 CB TYR A 144 -11.700 -14.024 0.243 1.00 0.00 C ATOM 363 CG TYR A 144 -11.986 -15.455 -0.141 1.00 0.00 C ATOM 364 CD1 TYR A 144 -12.641 -15.742 -1.344 1.00 0.00 C ATOM 365 CD2 TYR A 144 -11.593 -16.498 0.706 1.00 0.00 C ATOM 366 CE1 TYR A 144 -12.905 -17.069 -1.700 1.00 0.00 C ATOM 367 CE2 TYR A 144 -11.857 -17.826 0.351 1.00 0.00 C ATOM 368 CZ TYR A 144 -12.514 -18.110 -0.853 1.00 0.00 C ATOM 369 OH TYR A 144 -12.774 -19.421 -1.202 1.00 0.00 O ATOM 0 H TYR A 144 -8.835 -14.218 0.712 1.00 0.00 H new ATOM 0 HA TYR A 144 -10.604 -13.564 -1.551 1.00 0.00 H new ATOM 0 HB2 TYR A 144 -11.570 -13.945 1.322 1.00 0.00 H new ATOM 0 HB3 TYR A 144 -12.545 -13.389 -0.023 1.00 0.00 H new ATOM 0 HD1 TYR A 144 -12.943 -14.938 -1.999 1.00 0.00 H new ATOM 0 HD2 TYR A 144 -11.086 -16.278 1.634 1.00 0.00 H new ATOM 0 HE1 TYR A 144 -13.411 -17.289 -2.629 1.00 0.00 H new ATOM 0 HE2 TYR A 144 -11.554 -18.631 1.005 1.00 0.00 H new ATOM 0 HH TYR A 144 -12.435 -20.019 -0.503 1.00 0.00 H new ATOM 379 N ILE A 145 -10.740 -11.154 -0.711 1.00 0.00 N ATOM 380 CA ILE A 145 -10.520 -9.740 -0.392 1.00 0.00 C ATOM 381 C ILE A 145 -11.848 -9.024 -0.181 1.00 0.00 C ATOM 382 O ILE A 145 -12.865 -9.406 -0.758 1.00 0.00 O ATOM 383 CB ILE A 145 -9.746 -9.066 -1.527 1.00 0.00 C ATOM 384 CG1 ILE A 145 -10.523 -9.214 -2.841 1.00 0.00 C ATOM 385 CG2 ILE A 145 -8.369 -9.725 -1.671 1.00 0.00 C ATOM 386 CD1 ILE A 145 -9.871 -8.353 -3.919 1.00 0.00 C ATOM 0 H ILE A 145 -11.398 -11.317 -1.473 1.00 0.00 H new ATOM 0 HA ILE A 145 -9.941 -9.679 0.529 1.00 0.00 H new ATOM 0 HB ILE A 145 -9.621 -8.008 -1.298 1.00 0.00 H new ATOM 0 HG12 ILE A 145 -10.535 -10.258 -3.153 1.00 0.00 H new ATOM 0 HG13 ILE A 145 -11.561 -8.912 -2.698 1.00 0.00 H new ATOM 0 HG21 ILE A 145 -7.818 -9.244 -2.480 1.00 0.00 H new ATOM 0 HG22 ILE A 145 -7.814 -9.616 -0.739 1.00 0.00 H new ATOM 0 HG23 ILE A 145 -8.494 -10.784 -1.897 1.00 0.00 H new ATOM 0 HD11 ILE A 145 -10.424 -8.459 -4.853 1.00 0.00 H new ATOM 0 HD12 ILE A 145 -9.882 -7.309 -3.607 1.00 0.00 H new ATOM 0 HD13 ILE A 145 -8.841 -8.676 -4.069 1.00 0.00 H new ATOM 398 N GLY A 146 -11.832 -7.990 0.649 1.00 0.00 N ATOM 399 CA GLY A 146 -13.041 -7.233 0.927 1.00 0.00 C ATOM 400 C GLY A 146 -13.644 -6.678 -0.360 1.00 0.00 C ATOM 401 O GLY A 146 -12.931 -6.171 -1.226 1.00 0.00 O ATOM 0 H GLY A 146 -11.000 -7.659 1.138 1.00 0.00 H new ATOM 0 HA2 GLY A 146 -13.768 -7.872 1.428 1.00 0.00 H new ATOM 0 HA3 GLY A 146 -12.813 -6.414 1.609 1.00 0.00 H new ATOM 405 N TYR A 147 -14.960 -6.787 -0.480 1.00 0.00 N ATOM 406 CA TYR A 147 -15.653 -6.308 -1.670 1.00 0.00 C ATOM 407 C TYR A 147 -15.293 -4.847 -1.935 1.00 0.00 C ATOM 408 O TYR A 147 -15.231 -4.410 -3.083 1.00 0.00 O ATOM 409 CB TYR A 147 -17.176 -6.438 -1.482 1.00 0.00 C ATOM 410 CG TYR A 147 -17.469 -7.598 -0.561 1.00 0.00 C ATOM 411 CD1 TYR A 147 -16.775 -8.804 -0.705 1.00 0.00 C ATOM 412 CD2 TYR A 147 -18.435 -7.462 0.444 1.00 0.00 C ATOM 413 CE1 TYR A 147 -17.046 -9.871 0.158 1.00 0.00 C ATOM 414 CE2 TYR A 147 -18.707 -8.529 1.303 1.00 0.00 C ATOM 415 CZ TYR A 147 -18.012 -9.735 1.160 1.00 0.00 C ATOM 416 OH TYR A 147 -18.275 -10.791 2.009 1.00 0.00 O ATOM 0 H TYR A 147 -15.567 -7.200 0.228 1.00 0.00 H new ATOM 0 HA TYR A 147 -15.343 -6.913 -2.522 1.00 0.00 H new ATOM 0 HB2 TYR A 147 -17.582 -5.516 -1.065 1.00 0.00 H new ATOM 0 HB3 TYR A 147 -17.661 -6.593 -2.446 1.00 0.00 H new ATOM 0 HD1 TYR A 147 -16.031 -8.911 -1.481 1.00 0.00 H new ATOM 0 HD2 TYR A 147 -18.970 -6.531 0.555 1.00 0.00 H new ATOM 0 HE1 TYR A 147 -16.508 -10.801 0.050 1.00 0.00 H new ATOM 0 HE2 TYR A 147 -19.453 -8.423 2.077 1.00 0.00 H new ATOM 0 HH TYR A 147 -18.971 -10.531 2.648 1.00 0.00 H new ATOM 426 N ARG A 148 -15.066 -4.099 -0.866 1.00 0.00 N ATOM 427 CA ARG A 148 -14.720 -2.689 -0.992 1.00 0.00 C ATOM 428 C ARG A 148 -13.390 -2.528 -1.717 1.00 0.00 C ATOM 429 O ARG A 148 -13.199 -1.585 -2.483 1.00 0.00 O ATOM 430 CB ARG A 148 -14.631 -2.047 0.393 1.00 0.00 C ATOM 431 CG ARG A 148 -16.026 -2.011 1.028 1.00 0.00 C ATOM 432 CD ARG A 148 -16.941 -1.039 0.255 1.00 0.00 C ATOM 433 NE ARG A 148 -17.697 -1.766 -0.758 1.00 0.00 N ATOM 434 CZ ARG A 148 -18.816 -2.411 -0.450 1.00 0.00 C ATOM 435 NH1 ARG A 148 -19.252 -2.405 0.778 1.00 0.00 N ATOM 436 NH2 ARG A 148 -19.475 -3.049 -1.377 1.00 0.00 N ATOM 0 H ARG A 148 -15.114 -4.441 0.094 1.00 0.00 H new ATOM 0 HA ARG A 148 -15.499 -2.193 -1.571 1.00 0.00 H new ATOM 0 HB2 ARG A 148 -13.946 -2.613 1.025 1.00 0.00 H new ATOM 0 HB3 ARG A 148 -14.230 -1.037 0.313 1.00 0.00 H new ATOM 0 HG2 ARG A 148 -16.460 -3.011 1.025 1.00 0.00 H new ATOM 0 HG3 ARG A 148 -15.951 -1.700 2.070 1.00 0.00 H new ATOM 0 HD2 ARG A 148 -17.624 -0.543 0.945 1.00 0.00 H new ATOM 0 HD3 ARG A 148 -16.342 -0.259 -0.216 1.00 0.00 H new ATOM 0 HE ARG A 148 -17.360 -1.779 -1.721 1.00 0.00 H new ATOM 0 HH11 ARG A 148 -18.734 -1.905 1.501 1.00 0.00 H new ATOM 0 HH12 ARG A 148 -20.111 -2.900 1.016 1.00 0.00 H new ATOM 0 HH21 ARG A 148 -19.131 -3.052 -2.337 1.00 0.00 H new ATOM 0 HH22 ARG A 148 -20.335 -3.545 -1.142 1.00 0.00 H new ATOM 450 N GLU A 149 -12.470 -3.451 -1.462 1.00 0.00 N ATOM 451 CA GLU A 149 -11.156 -3.399 -2.092 1.00 0.00 C ATOM 452 C GLU A 149 -11.212 -3.981 -3.493 1.00 0.00 C ATOM 453 O GLU A 149 -10.275 -3.823 -4.278 1.00 0.00 O ATOM 454 CB GLU A 149 -10.144 -4.180 -1.246 1.00 0.00 C ATOM 455 CG GLU A 149 -9.898 -3.448 0.083 1.00 0.00 C ATOM 456 CD GLU A 149 -11.021 -3.755 1.068 1.00 0.00 C ATOM 457 OE1 GLU A 149 -11.962 -4.422 0.673 1.00 0.00 O ATOM 458 OE2 GLU A 149 -10.924 -3.318 2.201 1.00 0.00 O ATOM 0 H GLU A 149 -12.608 -4.239 -0.829 1.00 0.00 H new ATOM 0 HA GLU A 149 -10.844 -2.357 -2.161 1.00 0.00 H new ATOM 0 HB2 GLU A 149 -10.517 -5.186 -1.054 1.00 0.00 H new ATOM 0 HB3 GLU A 149 -9.206 -4.287 -1.791 1.00 0.00 H new ATOM 0 HG2 GLU A 149 -8.941 -3.755 0.504 1.00 0.00 H new ATOM 0 HG3 GLU A 149 -9.840 -2.373 -0.090 1.00 0.00 H new ATOM 465 N LEU A 150 -12.310 -4.659 -3.804 1.00 0.00 N ATOM 466 CA LEU A 150 -12.457 -5.271 -5.114 1.00 0.00 C ATOM 467 C LEU A 150 -12.327 -4.215 -6.207 1.00 0.00 C ATOM 468 O LEU A 150 -11.609 -4.409 -7.186 1.00 0.00 O ATOM 469 CB LEU A 150 -13.834 -5.941 -5.221 1.00 0.00 C ATOM 470 CG LEU A 150 -13.943 -6.703 -6.548 1.00 0.00 C ATOM 471 CD1 LEU A 150 -12.941 -7.872 -6.569 1.00 0.00 C ATOM 472 CD2 LEU A 150 -15.367 -7.240 -6.709 1.00 0.00 C ATOM 0 H LEU A 150 -13.101 -4.797 -3.175 1.00 0.00 H new ATOM 0 HA LEU A 150 -11.673 -6.018 -5.241 1.00 0.00 H new ATOM 0 HB2 LEU A 150 -13.981 -6.626 -4.386 1.00 0.00 H new ATOM 0 HB3 LEU A 150 -14.620 -5.188 -5.158 1.00 0.00 H new ATOM 0 HG LEU A 150 -13.713 -6.026 -7.371 1.00 0.00 H new ATOM 0 HD11 LEU A 150 -13.026 -8.407 -7.515 1.00 0.00 H new ATOM 0 HD12 LEU A 150 -11.928 -7.485 -6.461 1.00 0.00 H new ATOM 0 HD13 LEU A 150 -13.159 -8.553 -5.746 1.00 0.00 H new ATOM 0 HD21 LEU A 150 -15.447 -7.782 -7.651 1.00 0.00 H new ATOM 0 HD22 LEU A 150 -15.598 -7.913 -5.883 1.00 0.00 H new ATOM 0 HD23 LEU A 150 -16.072 -6.408 -6.708 1.00 0.00 H new ATOM 484 N GLY A 151 -13.021 -3.098 -6.032 1.00 0.00 N ATOM 485 CA GLY A 151 -12.967 -2.016 -7.012 1.00 0.00 C ATOM 486 C GLY A 151 -11.597 -1.345 -6.997 1.00 0.00 C ATOM 487 O GLY A 151 -11.037 -1.030 -8.045 1.00 0.00 O ATOM 0 H GLY A 151 -13.623 -2.916 -5.229 1.00 0.00 H new ATOM 0 HA2 GLY A 151 -13.174 -2.409 -8.007 1.00 0.00 H new ATOM 0 HA3 GLY A 151 -13.741 -1.280 -6.792 1.00 0.00 H new ATOM 491 N ASP A 152 -11.064 -1.129 -5.799 1.00 0.00 N ATOM 492 CA ASP A 152 -9.762 -0.487 -5.656 1.00 0.00 C ATOM 493 C ASP A 152 -8.697 -1.271 -6.418 1.00 0.00 C ATOM 494 O ASP A 152 -7.737 -0.695 -6.928 1.00 0.00 O ATOM 495 CB ASP A 152 -9.376 -0.407 -4.177 1.00 0.00 C ATOM 496 CG ASP A 152 -8.085 0.388 -4.016 1.00 0.00 C ATOM 497 OD1 ASP A 152 -7.502 0.746 -5.028 1.00 0.00 O ATOM 498 OD2 ASP A 152 -7.696 0.628 -2.885 1.00 0.00 O ATOM 0 H ASP A 152 -11.510 -1.387 -4.919 1.00 0.00 H new ATOM 0 HA ASP A 152 -9.826 0.520 -6.068 1.00 0.00 H new ATOM 0 HB2 ASP A 152 -10.177 0.066 -3.609 1.00 0.00 H new ATOM 0 HB3 ASP A 152 -9.247 -1.411 -3.772 1.00 0.00 H new ATOM 503 N CYS A 153 -8.877 -2.585 -6.489 1.00 0.00 N ATOM 504 CA CYS A 153 -7.922 -3.436 -7.191 1.00 0.00 C ATOM 505 C CYS A 153 -7.841 -3.046 -8.664 1.00 0.00 C ATOM 506 O CYS A 153 -6.759 -3.026 -9.252 1.00 0.00 O ATOM 507 CB CYS A 153 -8.346 -4.902 -7.074 1.00 0.00 C ATOM 508 SG CYS A 153 -8.257 -5.419 -5.343 1.00 0.00 S ATOM 0 H CYS A 153 -9.666 -3.081 -6.074 1.00 0.00 H new ATOM 0 HA CYS A 153 -6.941 -3.303 -6.735 1.00 0.00 H new ATOM 0 HB2 CYS A 153 -9.361 -5.029 -7.451 1.00 0.00 H new ATOM 0 HB3 CYS A 153 -7.698 -5.529 -7.686 1.00 0.00 H new ATOM 0 HG CYS A 153 -7.146 -4.993 -4.819 1.00 0.00 H new ATOM 514 N MET A 154 -8.990 -2.735 -9.254 1.00 0.00 N ATOM 515 CA MET A 154 -9.029 -2.346 -10.658 1.00 0.00 C ATOM 516 C MET A 154 -8.272 -1.036 -10.869 1.00 0.00 C ATOM 517 O MET A 154 -7.558 -0.873 -11.855 1.00 0.00 O ATOM 518 CB MET A 154 -10.482 -2.182 -11.115 1.00 0.00 C ATOM 519 CG MET A 154 -10.524 -1.855 -12.613 1.00 0.00 C ATOM 520 SD MET A 154 -9.880 -3.261 -13.554 1.00 0.00 S ATOM 521 CE MET A 154 -10.455 -2.728 -15.179 1.00 0.00 C ATOM 0 H MET A 154 -9.897 -2.744 -8.788 1.00 0.00 H new ATOM 0 HA MET A 154 -8.551 -3.128 -11.249 1.00 0.00 H new ATOM 0 HB2 MET A 154 -11.040 -3.097 -10.918 1.00 0.00 H new ATOM 0 HB3 MET A 154 -10.964 -1.386 -10.547 1.00 0.00 H new ATOM 0 HG2 MET A 154 -11.547 -1.636 -12.920 1.00 0.00 H new ATOM 0 HG3 MET A 154 -9.931 -0.964 -12.819 1.00 0.00 H new ATOM 0 HE1 MET A 154 -10.161 -3.463 -15.928 1.00 0.00 H new ATOM 0 HE2 MET A 154 -11.541 -2.635 -15.168 1.00 0.00 H new ATOM 0 HE3 MET A 154 -10.011 -1.763 -15.424 1.00 0.00 H new ATOM 531 N ARG A 155 -8.444 -0.104 -9.938 1.00 0.00 N ATOM 532 CA ARG A 155 -7.778 1.190 -10.032 1.00 0.00 C ATOM 533 C ARG A 155 -6.267 1.015 -9.966 1.00 0.00 C ATOM 534 O ARG A 155 -5.521 1.672 -10.691 1.00 0.00 O ATOM 535 CB ARG A 155 -8.249 2.106 -8.901 1.00 0.00 C ATOM 536 CG ARG A 155 -7.607 3.486 -9.062 1.00 0.00 C ATOM 537 CD ARG A 155 -8.187 4.441 -8.018 1.00 0.00 C ATOM 538 NE ARG A 155 -7.574 5.758 -8.145 1.00 0.00 N ATOM 539 CZ ARG A 155 -8.036 6.799 -7.461 1.00 0.00 C ATOM 540 NH1 ARG A 155 -9.055 6.653 -6.660 1.00 0.00 N ATOM 541 NH2 ARG A 155 -7.471 7.970 -7.591 1.00 0.00 N ATOM 0 H ARG A 155 -9.035 -0.219 -9.115 1.00 0.00 H new ATOM 0 HA ARG A 155 -8.035 1.645 -10.988 1.00 0.00 H new ATOM 0 HB2 ARG A 155 -9.335 2.194 -8.918 1.00 0.00 H new ATOM 0 HB3 ARG A 155 -7.979 1.678 -7.936 1.00 0.00 H new ATOM 0 HG2 ARG A 155 -6.526 3.412 -8.943 1.00 0.00 H new ATOM 0 HG3 ARG A 155 -7.792 3.870 -10.065 1.00 0.00 H new ATOM 0 HD2 ARG A 155 -9.266 4.520 -8.147 1.00 0.00 H new ATOM 0 HD3 ARG A 155 -8.014 4.046 -7.017 1.00 0.00 H new ATOM 0 HE ARG A 155 -6.777 5.882 -8.769 1.00 0.00 H new ATOM 0 HH11 ARG A 155 -9.497 5.739 -6.559 1.00 0.00 H new ATOM 0 HH12 ARG A 155 -9.410 7.452 -6.135 1.00 0.00 H new ATOM 0 HH21 ARG A 155 -6.675 8.085 -8.218 1.00 0.00 H new ATOM 0 HH22 ARG A 155 -7.826 8.769 -7.066 1.00 0.00 H new ATOM 555 N THR A 156 -5.825 0.125 -9.090 1.00 0.00 N ATOM 556 CA THR A 156 -4.400 -0.137 -8.933 1.00 0.00 C ATOM 557 C THR A 156 -3.794 -0.658 -10.228 1.00 0.00 C ATOM 558 O THR A 156 -2.594 -0.904 -10.315 1.00 0.00 O ATOM 559 CB THR A 156 -4.167 -1.141 -7.800 1.00 0.00 C ATOM 560 OG1 THR A 156 -5.054 -0.863 -6.726 1.00 0.00 O ATOM 561 CG2 THR A 156 -2.718 -1.049 -7.305 1.00 0.00 C ATOM 0 H THR A 156 -6.428 -0.426 -8.479 1.00 0.00 H new ATOM 0 HA THR A 156 -3.909 0.803 -8.681 1.00 0.00 H new ATOM 0 HB THR A 156 -4.353 -2.148 -8.175 1.00 0.00 H new ATOM 0 HG1 THR A 156 -5.939 -1.232 -6.929 1.00 0.00 H new ATOM 0 HG21 THR A 156 -2.562 -1.767 -6.500 1.00 0.00 H new ATOM 0 HG22 THR A 156 -2.038 -1.273 -8.127 1.00 0.00 H new ATOM 0 HG23 THR A 156 -2.523 -0.042 -6.936 1.00 0.00 H new ATOM 569 N LEU A 157 -4.637 -0.826 -11.221 1.00 0.00 N ATOM 570 CA LEU A 157 -4.189 -1.326 -12.521 1.00 0.00 C ATOM 571 C LEU A 157 -5.191 -0.983 -13.613 1.00 0.00 C ATOM 572 O LEU A 157 -5.301 -1.690 -14.615 1.00 0.00 O ATOM 573 CB LEU A 157 -4.009 -2.841 -12.458 1.00 0.00 C ATOM 574 CG LEU A 157 -5.323 -3.507 -11.950 1.00 0.00 C ATOM 575 CD1 LEU A 157 -5.943 -4.356 -13.064 1.00 0.00 C ATOM 576 CD2 LEU A 157 -5.019 -4.399 -10.742 1.00 0.00 C ATOM 0 H LEU A 157 -5.636 -0.627 -11.164 1.00 0.00 H new ATOM 0 HA LEU A 157 -3.238 -0.849 -12.759 1.00 0.00 H new ATOM 0 HB2 LEU A 157 -3.752 -3.227 -13.444 1.00 0.00 H new ATOM 0 HB3 LEU A 157 -3.183 -3.091 -11.793 1.00 0.00 H new ATOM 0 HG LEU A 157 -6.025 -2.726 -11.658 1.00 0.00 H new ATOM 0 HD11 LEU A 157 -6.861 -4.818 -12.701 1.00 0.00 H new ATOM 0 HD12 LEU A 157 -6.170 -3.722 -13.921 1.00 0.00 H new ATOM 0 HD13 LEU A 157 -5.240 -5.133 -13.364 1.00 0.00 H new ATOM 0 HD21 LEU A 157 -5.941 -4.862 -10.391 1.00 0.00 H new ATOM 0 HD22 LEU A 157 -4.311 -5.175 -11.032 1.00 0.00 H new ATOM 0 HD23 LEU A 157 -4.589 -3.795 -9.943 1.00 0.00 H new ATOM 588 N GLY A 158 -5.915 0.106 -13.417 1.00 0.00 N ATOM 589 CA GLY A 158 -6.913 0.551 -14.394 1.00 0.00 C ATOM 590 C GLY A 158 -6.803 2.050 -14.639 1.00 0.00 C ATOM 591 O GLY A 158 -7.401 2.581 -15.575 1.00 0.00 O ATOM 0 H GLY A 158 -5.836 0.702 -12.593 1.00 0.00 H new ATOM 0 HA2 GLY A 158 -6.774 0.014 -15.332 1.00 0.00 H new ATOM 0 HA3 GLY A 158 -7.913 0.310 -14.034 1.00 0.00 H new ATOM 595 N TYR A 159 -6.034 2.729 -13.795 1.00 0.00 N ATOM 596 CA TYR A 159 -5.854 4.168 -13.932 1.00 0.00 C ATOM 597 C TYR A 159 -7.198 4.872 -14.076 1.00 0.00 C ATOM 598 O TYR A 159 -7.640 5.175 -15.184 1.00 0.00 O ATOM 599 CB TYR A 159 -4.990 4.473 -15.158 1.00 0.00 C ATOM 600 CG TYR A 159 -3.607 3.902 -14.953 1.00 0.00 C ATOM 601 CD1 TYR A 159 -2.660 4.611 -14.204 1.00 0.00 C ATOM 602 CD2 TYR A 159 -3.270 2.664 -15.514 1.00 0.00 C ATOM 603 CE1 TYR A 159 -1.378 4.081 -14.012 1.00 0.00 C ATOM 604 CE2 TYR A 159 -1.987 2.136 -15.324 1.00 0.00 C ATOM 605 CZ TYR A 159 -1.041 2.843 -14.573 1.00 0.00 C ATOM 606 OH TYR A 159 0.222 2.320 -14.386 1.00 0.00 O ATOM 0 H TYR A 159 -5.529 2.309 -13.014 1.00 0.00 H new ATOM 0 HA TYR A 159 -5.359 4.535 -13.033 1.00 0.00 H new ATOM 0 HB2 TYR A 159 -5.443 4.044 -16.052 1.00 0.00 H new ATOM 0 HB3 TYR A 159 -4.931 5.550 -15.316 1.00 0.00 H new ATOM 0 HD1 TYR A 159 -2.918 5.567 -13.774 1.00 0.00 H new ATOM 0 HD2 TYR A 159 -3.999 2.117 -16.093 1.00 0.00 H new ATOM 0 HE1 TYR A 159 -0.649 4.627 -13.431 1.00 0.00 H new ATOM 0 HE2 TYR A 159 -1.727 1.182 -15.758 1.00 0.00 H new ATOM 0 HH TYR A 159 0.288 1.454 -14.841 1.00 0.00 H new ATOM 616 N MET A 160 -7.843 5.133 -12.947 1.00 0.00 N ATOM 617 CA MET A 160 -9.132 5.805 -12.955 1.00 0.00 C ATOM 618 C MET A 160 -10.133 5.043 -13.834 1.00 0.00 C ATOM 619 O MET A 160 -10.108 5.166 -15.061 1.00 0.00 O ATOM 620 CB MET A 160 -8.985 7.228 -13.469 1.00 0.00 C ATOM 621 CG MET A 160 -10.344 7.930 -13.410 1.00 0.00 C ATOM 622 SD MET A 160 -10.107 9.713 -13.644 1.00 0.00 S ATOM 623 CE MET A 160 -11.258 9.930 -15.022 1.00 0.00 C ATOM 0 H MET A 160 -7.496 4.890 -12.019 1.00 0.00 H new ATOM 0 HA MET A 160 -9.506 5.831 -11.932 1.00 0.00 H new ATOM 0 HB2 MET A 160 -8.256 7.771 -12.867 1.00 0.00 H new ATOM 0 HB3 MET A 160 -8.611 7.220 -14.493 1.00 0.00 H new ATOM 0 HG2 MET A 160 -11.004 7.535 -14.182 1.00 0.00 H new ATOM 0 HG3 MET A 160 -10.824 7.738 -12.451 1.00 0.00 H new ATOM 0 HE1 MET A 160 -11.266 10.976 -15.328 1.00 0.00 H new ATOM 0 HE2 MET A 160 -10.943 9.309 -15.861 1.00 0.00 H new ATOM 0 HE3 MET A 160 -12.260 9.636 -14.709 1.00 0.00 H new ATOM 633 N PRO A 161 -10.999 4.255 -13.242 1.00 0.00 N ATOM 634 CA PRO A 161 -12.011 3.457 -13.992 1.00 0.00 C ATOM 635 C PRO A 161 -13.177 4.316 -14.456 1.00 0.00 C ATOM 636 O PRO A 161 -13.303 5.468 -14.047 1.00 0.00 O ATOM 637 CB PRO A 161 -12.462 2.399 -12.979 1.00 0.00 C ATOM 638 CG PRO A 161 -12.238 3.016 -11.631 1.00 0.00 C ATOM 639 CD PRO A 161 -11.115 4.039 -11.789 1.00 0.00 C ATOM 0 HA PRO A 161 -11.605 3.022 -14.905 1.00 0.00 H new ATOM 0 HB2 PRO A 161 -13.511 2.140 -13.123 1.00 0.00 H new ATOM 0 HB3 PRO A 161 -11.888 1.479 -13.090 1.00 0.00 H new ATOM 0 HG2 PRO A 161 -13.148 3.495 -11.270 1.00 0.00 H new ATOM 0 HG3 PRO A 161 -11.967 2.255 -10.899 1.00 0.00 H new ATOM 0 HD2 PRO A 161 -11.351 4.968 -11.269 1.00 0.00 H new ATOM 0 HD3 PRO A 161 -10.180 3.667 -11.369 1.00 0.00 H new ATOM 647 N THR A 162 -14.024 3.743 -15.308 1.00 0.00 N ATOM 648 CA THR A 162 -15.184 4.463 -15.820 1.00 0.00 C ATOM 649 C THR A 162 -15.886 5.216 -14.692 1.00 0.00 C ATOM 650 O THR A 162 -15.428 6.277 -14.270 1.00 0.00 O ATOM 651 CB THR A 162 -16.164 3.481 -16.471 1.00 0.00 C ATOM 652 OG1 THR A 162 -15.497 2.765 -17.501 1.00 0.00 O ATOM 653 CG2 THR A 162 -17.349 4.249 -17.067 1.00 0.00 C ATOM 0 H THR A 162 -13.929 2.789 -15.656 1.00 0.00 H new ATOM 0 HA THR A 162 -14.844 5.182 -16.565 1.00 0.00 H new ATOM 0 HB THR A 162 -16.531 2.784 -15.718 1.00 0.00 H new ATOM 0 HG1 THR A 162 -16.121 2.135 -17.918 1.00 0.00 H new ATOM 0 HG21 THR A 162 -18.043 3.546 -17.529 1.00 0.00 H new ATOM 0 HG22 THR A 162 -17.861 4.798 -16.277 1.00 0.00 H new ATOM 0 HG23 THR A 162 -16.987 4.949 -17.820 1.00 0.00 H new ATOM 661 N GLU A 163 -16.996 4.666 -14.205 1.00 0.00 N ATOM 662 CA GLU A 163 -17.739 5.296 -13.131 1.00 0.00 C ATOM 663 C GLU A 163 -18.907 4.414 -12.705 1.00 0.00 C ATOM 664 O GLU A 163 -19.075 4.119 -11.525 1.00 0.00 O ATOM 665 CB GLU A 163 -18.272 6.662 -13.584 1.00 0.00 C ATOM 666 CG GLU A 163 -18.843 7.411 -12.380 1.00 0.00 C ATOM 667 CD GLU A 163 -17.716 7.806 -11.431 1.00 0.00 C ATOM 668 OE1 GLU A 163 -16.580 7.857 -11.878 1.00 0.00 O ATOM 669 OE2 GLU A 163 -18.002 8.051 -10.271 1.00 0.00 O ATOM 0 H GLU A 163 -17.395 3.789 -14.539 1.00 0.00 H new ATOM 0 HA GLU A 163 -17.066 5.434 -12.284 1.00 0.00 H new ATOM 0 HB2 GLU A 163 -17.471 7.243 -14.041 1.00 0.00 H new ATOM 0 HB3 GLU A 163 -19.043 6.530 -14.343 1.00 0.00 H new ATOM 0 HG2 GLU A 163 -19.377 8.300 -12.714 1.00 0.00 H new ATOM 0 HG3 GLU A 163 -19.565 6.782 -11.859 1.00 0.00 H new ATOM 676 N MET A 164 -19.715 3.996 -13.677 1.00 0.00 N ATOM 677 CA MET A 164 -20.869 3.145 -13.388 1.00 0.00 C ATOM 678 C MET A 164 -20.504 1.676 -13.559 1.00 0.00 C ATOM 679 O MET A 164 -21.066 0.808 -12.894 1.00 0.00 O ATOM 680 CB MET A 164 -22.024 3.499 -14.328 1.00 0.00 C ATOM 681 CG MET A 164 -23.315 2.855 -13.817 1.00 0.00 C ATOM 682 SD MET A 164 -23.847 3.690 -12.301 1.00 0.00 S ATOM 683 CE MET A 164 -24.925 4.915 -13.081 1.00 0.00 C ATOM 0 H MET A 164 -19.595 4.229 -14.663 1.00 0.00 H new ATOM 0 HA MET A 164 -21.175 3.314 -12.356 1.00 0.00 H new ATOM 0 HB2 MET A 164 -22.142 4.581 -14.384 1.00 0.00 H new ATOM 0 HB3 MET A 164 -21.806 3.150 -15.337 1.00 0.00 H new ATOM 0 HG2 MET A 164 -24.094 2.925 -14.576 1.00 0.00 H new ATOM 0 HG3 MET A 164 -23.153 1.795 -13.623 1.00 0.00 H new ATOM 0 HE1 MET A 164 -25.368 5.550 -12.314 1.00 0.00 H new ATOM 0 HE2 MET A 164 -24.342 5.528 -13.768 1.00 0.00 H new ATOM 0 HE3 MET A 164 -25.716 4.406 -13.632 1.00 0.00 H new ATOM 693 N GLU A 165 -19.567 1.404 -14.461 1.00 0.00 N ATOM 694 CA GLU A 165 -19.147 0.030 -14.717 1.00 0.00 C ATOM 695 C GLU A 165 -18.706 -0.644 -13.423 1.00 0.00 C ATOM 696 O GLU A 165 -19.213 -1.707 -13.064 1.00 0.00 O ATOM 697 CB GLU A 165 -17.992 0.018 -15.721 1.00 0.00 C ATOM 698 CG GLU A 165 -17.708 -1.418 -16.165 1.00 0.00 C ATOM 699 CD GLU A 165 -18.845 -1.924 -17.045 1.00 0.00 C ATOM 700 OE1 GLU A 165 -19.697 -1.123 -17.397 1.00 0.00 O ATOM 701 OE2 GLU A 165 -18.853 -3.105 -17.350 1.00 0.00 O ATOM 0 H GLU A 165 -19.088 2.108 -15.022 1.00 0.00 H new ATOM 0 HA GLU A 165 -19.993 -0.520 -15.129 1.00 0.00 H new ATOM 0 HB2 GLU A 165 -18.243 0.633 -16.585 1.00 0.00 H new ATOM 0 HB3 GLU A 165 -17.100 0.452 -15.269 1.00 0.00 H new ATOM 0 HG2 GLU A 165 -16.767 -1.459 -16.713 1.00 0.00 H new ATOM 0 HG3 GLU A 165 -17.597 -2.062 -15.293 1.00 0.00 H new ATOM 708 N LEU A 166 -17.762 -0.023 -12.730 1.00 0.00 N ATOM 709 CA LEU A 166 -17.261 -0.579 -11.479 1.00 0.00 C ATOM 710 C LEU A 166 -18.369 -0.648 -10.442 1.00 0.00 C ATOM 711 O LEU A 166 -18.441 -1.596 -9.658 1.00 0.00 O ATOM 712 CB LEU A 166 -16.103 0.285 -10.957 1.00 0.00 C ATOM 713 CG LEU A 166 -14.815 -0.071 -11.717 1.00 0.00 C ATOM 714 CD1 LEU A 166 -14.349 -1.495 -11.347 1.00 0.00 C ATOM 715 CD2 LEU A 166 -15.078 0.010 -13.230 1.00 0.00 C ATOM 0 H LEU A 166 -17.330 0.858 -13.009 1.00 0.00 H new ATOM 0 HA LEU A 166 -16.901 -1.591 -11.664 1.00 0.00 H new ATOM 0 HB2 LEU A 166 -16.335 1.342 -11.089 1.00 0.00 H new ATOM 0 HB3 LEU A 166 -15.965 0.120 -9.888 1.00 0.00 H new ATOM 0 HG LEU A 166 -14.033 0.636 -11.441 1.00 0.00 H new ATOM 0 HD11 LEU A 166 -13.436 -1.732 -11.893 1.00 0.00 H new ATOM 0 HD12 LEU A 166 -14.155 -1.547 -10.276 1.00 0.00 H new ATOM 0 HD13 LEU A 166 -15.126 -2.212 -11.611 1.00 0.00 H new ATOM 0 HD21 LEU A 166 -14.166 -0.242 -13.772 1.00 0.00 H new ATOM 0 HD22 LEU A 166 -15.867 -0.692 -13.500 1.00 0.00 H new ATOM 0 HD23 LEU A 166 -15.388 1.022 -13.492 1.00 0.00 H new ATOM 727 N LEU A 167 -19.214 0.367 -10.430 1.00 0.00 N ATOM 728 CA LEU A 167 -20.302 0.421 -9.469 1.00 0.00 C ATOM 729 C LEU A 167 -21.205 -0.799 -9.620 1.00 0.00 C ATOM 730 O LEU A 167 -21.649 -1.382 -8.630 1.00 0.00 O ATOM 731 CB LEU A 167 -21.127 1.697 -9.677 1.00 0.00 C ATOM 732 CG LEU A 167 -22.232 1.784 -8.612 1.00 0.00 C ATOM 733 CD1 LEU A 167 -21.604 1.878 -7.209 1.00 0.00 C ATOM 734 CD2 LEU A 167 -23.092 3.021 -8.874 1.00 0.00 C ATOM 0 H LEU A 167 -19.169 1.160 -11.070 1.00 0.00 H new ATOM 0 HA LEU A 167 -19.876 0.427 -8.466 1.00 0.00 H new ATOM 0 HB2 LEU A 167 -20.481 2.573 -9.616 1.00 0.00 H new ATOM 0 HB3 LEU A 167 -21.569 1.696 -10.673 1.00 0.00 H new ATOM 0 HG LEU A 167 -22.853 0.889 -8.664 1.00 0.00 H new ATOM 0 HD11 LEU A 167 -22.394 1.939 -6.460 1.00 0.00 H new ATOM 0 HD12 LEU A 167 -20.995 0.993 -7.023 1.00 0.00 H new ATOM 0 HD13 LEU A 167 -20.978 2.768 -7.150 1.00 0.00 H new ATOM 0 HD21 LEU A 167 -23.877 3.085 -8.120 1.00 0.00 H new ATOM 0 HD22 LEU A 167 -22.469 3.914 -8.826 1.00 0.00 H new ATOM 0 HD23 LEU A 167 -23.544 2.947 -9.863 1.00 0.00 H new ATOM 746 N GLU A 168 -21.470 -1.178 -10.862 1.00 0.00 N ATOM 747 CA GLU A 168 -22.320 -2.332 -11.132 1.00 0.00 C ATOM 748 C GLU A 168 -21.677 -3.608 -10.604 1.00 0.00 C ATOM 749 O GLU A 168 -22.363 -4.502 -10.107 1.00 0.00 O ATOM 750 CB GLU A 168 -22.560 -2.462 -12.637 1.00 0.00 C ATOM 751 CG GLU A 168 -23.481 -1.337 -13.109 1.00 0.00 C ATOM 752 CD GLU A 168 -23.613 -1.375 -14.627 1.00 0.00 C ATOM 753 OE1 GLU A 168 -23.014 -2.248 -15.233 1.00 0.00 O ATOM 754 OE2 GLU A 168 -24.310 -0.530 -15.162 1.00 0.00 O ATOM 0 H GLU A 168 -21.113 -0.708 -11.694 1.00 0.00 H new ATOM 0 HA GLU A 168 -23.273 -2.184 -10.624 1.00 0.00 H new ATOM 0 HB2 GLU A 168 -21.611 -2.417 -13.172 1.00 0.00 H new ATOM 0 HB3 GLU A 168 -23.007 -3.430 -12.862 1.00 0.00 H new ATOM 0 HG2 GLU A 168 -24.463 -1.442 -12.647 1.00 0.00 H new ATOM 0 HG3 GLU A 168 -23.082 -0.373 -12.794 1.00 0.00 H new ATOM 761 N VAL A 169 -20.356 -3.689 -10.715 1.00 0.00 N ATOM 762 CA VAL A 169 -19.624 -4.857 -10.247 1.00 0.00 C ATOM 763 C VAL A 169 -19.792 -5.031 -8.742 1.00 0.00 C ATOM 764 O VAL A 169 -19.957 -6.147 -8.250 1.00 0.00 O ATOM 765 CB VAL A 169 -18.141 -4.722 -10.589 1.00 0.00 C ATOM 766 CG1 VAL A 169 -17.366 -5.900 -9.994 1.00 0.00 C ATOM 767 CG2 VAL A 169 -17.966 -4.712 -12.109 1.00 0.00 C ATOM 0 H VAL A 169 -19.772 -2.960 -11.125 1.00 0.00 H new ATOM 0 HA VAL A 169 -20.029 -5.737 -10.748 1.00 0.00 H new ATOM 0 HB VAL A 169 -17.758 -3.790 -10.172 1.00 0.00 H new ATOM 0 HG11 VAL A 169 -16.309 -5.801 -10.240 1.00 0.00 H new ATOM 0 HG12 VAL A 169 -17.488 -5.906 -8.911 1.00 0.00 H new ATOM 0 HG13 VAL A 169 -17.749 -6.833 -10.407 1.00 0.00 H new ATOM 0 HG21 VAL A 169 -16.908 -4.616 -12.353 1.00 0.00 H new ATOM 0 HG22 VAL A 169 -18.351 -5.643 -12.526 1.00 0.00 H new ATOM 0 HG23 VAL A 169 -18.514 -3.871 -12.533 1.00 0.00 H new ATOM 777 N SER A 170 -19.739 -3.923 -8.017 1.00 0.00 N ATOM 778 CA SER A 170 -19.877 -3.964 -6.564 1.00 0.00 C ATOM 779 C SER A 170 -21.193 -4.627 -6.170 1.00 0.00 C ATOM 780 O SER A 170 -21.225 -5.473 -5.276 1.00 0.00 O ATOM 781 CB SER A 170 -19.835 -2.545 -5.996 1.00 0.00 C ATOM 782 OG SER A 170 -20.313 -2.559 -4.658 1.00 0.00 O ATOM 0 H SER A 170 -19.603 -2.990 -8.405 1.00 0.00 H new ATOM 0 HA SER A 170 -19.050 -4.546 -6.156 1.00 0.00 H new ATOM 0 HB2 SER A 170 -18.816 -2.159 -6.026 1.00 0.00 H new ATOM 0 HB3 SER A 170 -20.446 -1.879 -6.605 1.00 0.00 H new ATOM 0 HG SER A 170 -21.281 -2.407 -4.655 1.00 0.00 H new ATOM 788 N GLN A 171 -22.271 -4.245 -6.841 1.00 0.00 N ATOM 789 CA GLN A 171 -23.581 -4.819 -6.553 1.00 0.00 C ATOM 790 C GLN A 171 -23.640 -6.272 -7.012 1.00 0.00 C ATOM 791 O GLN A 171 -24.398 -7.074 -6.464 1.00 0.00 O ATOM 792 CB GLN A 171 -24.674 -4.005 -7.259 1.00 0.00 C ATOM 793 CG GLN A 171 -24.966 -2.734 -6.458 1.00 0.00 C ATOM 794 CD GLN A 171 -23.715 -1.867 -6.383 1.00 0.00 C ATOM 795 OE1 GLN A 171 -22.841 -2.106 -5.550 1.00 0.00 O ATOM 796 NE2 GLN A 171 -23.575 -0.870 -7.211 1.00 0.00 N ATOM 0 H GLN A 171 -22.267 -3.546 -7.583 1.00 0.00 H new ATOM 0 HA GLN A 171 -23.746 -4.786 -5.476 1.00 0.00 H new ATOM 0 HB2 GLN A 171 -24.354 -3.745 -8.268 1.00 0.00 H new ATOM 0 HB3 GLN A 171 -25.581 -4.602 -7.356 1.00 0.00 H new ATOM 0 HG2 GLN A 171 -25.777 -2.177 -6.927 1.00 0.00 H new ATOM 0 HG3 GLN A 171 -25.298 -2.996 -5.453 1.00 0.00 H new ATOM 0 HE21 GLN A 171 -24.301 -0.674 -7.900 1.00 0.00 H new ATOM 0 HE22 GLN A 171 -22.740 -0.286 -7.169 1.00 0.00 H new ATOM 805 N HIS A 172 -22.844 -6.603 -8.023 1.00 0.00 N ATOM 806 CA HIS A 172 -22.820 -7.963 -8.550 1.00 0.00 C ATOM 807 C HIS A 172 -22.232 -8.921 -7.521 1.00 0.00 C ATOM 808 O HIS A 172 -22.363 -10.140 -7.648 1.00 0.00 O ATOM 809 CB HIS A 172 -21.987 -8.009 -9.831 1.00 0.00 C ATOM 810 CG HIS A 172 -22.148 -9.354 -10.485 1.00 0.00 C ATOM 811 ND1 HIS A 172 -21.288 -10.409 -10.229 1.00 0.00 N ATOM 812 CD2 HIS A 172 -23.067 -9.830 -11.388 1.00 0.00 C ATOM 813 CE1 HIS A 172 -21.702 -11.458 -10.963 1.00 0.00 C ATOM 814 NE2 HIS A 172 -22.783 -11.159 -11.688 1.00 0.00 N ATOM 0 H HIS A 172 -22.211 -5.954 -8.491 1.00 0.00 H new ATOM 0 HA HIS A 172 -23.842 -8.269 -8.772 1.00 0.00 H new ATOM 0 HB2 HIS A 172 -22.305 -7.221 -10.513 1.00 0.00 H new ATOM 0 HB3 HIS A 172 -20.937 -7.827 -9.602 1.00 0.00 H new ATOM 0 HD2 HIS A 172 -23.885 -9.260 -11.802 1.00 0.00 H new ATOM 0 HE1 HIS A 172 -21.219 -12.424 -10.966 1.00 0.00 H new ATOM 0 HE2 HIS A 172 -23.291 -11.773 -12.325 1.00 0.00 H new ATOM 822 N VAL A 173 -21.590 -8.361 -6.501 1.00 0.00 N ATOM 823 CA VAL A 173 -20.992 -9.171 -5.452 1.00 0.00 C ATOM 824 C VAL A 173 -22.060 -9.864 -4.630 1.00 0.00 C ATOM 825 O VAL A 173 -21.936 -11.046 -4.325 1.00 0.00 O ATOM 826 CB VAL A 173 -20.127 -8.306 -4.543 1.00 0.00 C ATOM 827 CG1 VAL A 173 -19.605 -9.143 -3.371 1.00 0.00 C ATOM 828 CG2 VAL A 173 -18.944 -7.754 -5.340 1.00 0.00 C ATOM 0 H VAL A 173 -21.472 -7.355 -6.381 1.00 0.00 H new ATOM 0 HA VAL A 173 -20.369 -9.929 -5.926 1.00 0.00 H new ATOM 0 HB VAL A 173 -20.726 -7.481 -4.157 1.00 0.00 H new ATOM 0 HG11 VAL A 173 -18.987 -8.519 -2.725 1.00 0.00 H new ATOM 0 HG12 VAL A 173 -20.447 -9.535 -2.800 1.00 0.00 H new ATOM 0 HG13 VAL A 173 -19.009 -9.972 -3.753 1.00 0.00 H new ATOM 0 HG21 VAL A 173 -18.325 -7.135 -4.691 1.00 0.00 H new ATOM 0 HG22 VAL A 173 -18.349 -8.581 -5.728 1.00 0.00 H new ATOM 0 HG23 VAL A 173 -19.314 -7.152 -6.170 1.00 0.00 H new ATOM 925 N GLY A 179 -21.125 -12.034 -0.853 1.00 0.00 N ATOM 926 CA GLY A 179 -20.383 -13.220 -1.294 1.00 0.00 C ATOM 927 C GLY A 179 -18.881 -12.951 -1.309 1.00 0.00 C ATOM 928 O GLY A 179 -18.453 -11.795 -1.328 1.00 0.00 O ATOM 0 HA2 GLY A 179 -20.600 -14.057 -0.630 1.00 0.00 H new ATOM 0 HA3 GLY A 179 -20.714 -13.511 -2.291 1.00 0.00 H new ATOM 932 N PHE A 180 -18.076 -14.023 -1.302 1.00 0.00 N ATOM 933 CA PHE A 180 -16.627 -13.879 -1.315 1.00 0.00 C ATOM 934 C PHE A 180 -16.110 -13.912 -2.743 1.00 0.00 C ATOM 935 O PHE A 180 -16.732 -14.508 -3.621 1.00 0.00 O ATOM 936 CB PHE A 180 -15.992 -15.009 -0.511 1.00 0.00 C ATOM 937 CG PHE A 180 -16.551 -15.003 0.892 1.00 0.00 C ATOM 938 CD1 PHE A 180 -16.097 -14.063 1.823 1.00 0.00 C ATOM 939 CD2 PHE A 180 -17.525 -15.941 1.263 1.00 0.00 C ATOM 940 CE1 PHE A 180 -16.614 -14.056 3.124 1.00 0.00 C ATOM 941 CE2 PHE A 180 -18.042 -15.935 2.564 1.00 0.00 C ATOM 942 CZ PHE A 180 -17.587 -14.993 3.494 1.00 0.00 C ATOM 0 H PHE A 180 -18.407 -14.988 -1.288 1.00 0.00 H new ATOM 0 HA PHE A 180 -16.362 -12.922 -0.866 1.00 0.00 H new ATOM 0 HB2 PHE A 180 -16.192 -15.968 -0.990 1.00 0.00 H new ATOM 0 HB3 PHE A 180 -14.909 -14.886 -0.483 1.00 0.00 H new ATOM 0 HD1 PHE A 180 -15.346 -13.341 1.538 1.00 0.00 H new ATOM 0 HD2 PHE A 180 -17.876 -16.668 0.545 1.00 0.00 H new ATOM 0 HE1 PHE A 180 -16.263 -13.329 3.841 1.00 0.00 H new ATOM 0 HE2 PHE A 180 -18.792 -16.657 2.850 1.00 0.00 H new ATOM 0 HZ PHE A 180 -17.986 -14.989 4.497 1.00 0.00 H new ATOM 952 N VAL A 181 -14.962 -13.273 -2.973 1.00 0.00 N ATOM 953 CA VAL A 181 -14.364 -13.243 -4.307 1.00 0.00 C ATOM 954 C VAL A 181 -12.890 -13.628 -4.238 1.00 0.00 C ATOM 955 O VAL A 181 -12.080 -12.914 -3.654 1.00 0.00 O ATOM 956 CB VAL A 181 -14.504 -11.841 -4.906 1.00 0.00 C ATOM 957 CG1 VAL A 181 -13.695 -11.753 -6.202 1.00 0.00 C ATOM 958 CG2 VAL A 181 -15.977 -11.560 -5.205 1.00 0.00 C ATOM 0 H VAL A 181 -14.432 -12.773 -2.259 1.00 0.00 H new ATOM 0 HA VAL A 181 -14.885 -13.961 -4.940 1.00 0.00 H new ATOM 0 HB VAL A 181 -14.129 -11.105 -4.195 1.00 0.00 H new ATOM 0 HG11 VAL A 181 -13.796 -10.754 -6.627 1.00 0.00 H new ATOM 0 HG12 VAL A 181 -12.645 -11.952 -5.990 1.00 0.00 H new ATOM 0 HG13 VAL A 181 -14.067 -12.490 -6.914 1.00 0.00 H new ATOM 0 HG21 VAL A 181 -16.078 -10.562 -5.632 1.00 0.00 H new ATOM 0 HG22 VAL A 181 -16.351 -12.298 -5.915 1.00 0.00 H new ATOM 0 HG23 VAL A 181 -16.554 -11.620 -4.282 1.00 0.00 H new ATOM 968 N ASP A 182 -12.554 -14.762 -4.847 1.00 0.00 N ATOM 969 CA ASP A 182 -11.174 -15.236 -4.860 1.00 0.00 C ATOM 970 C ASP A 182 -10.426 -14.651 -6.050 1.00 0.00 C ATOM 971 O ASP A 182 -10.988 -13.882 -6.833 1.00 0.00 O ATOM 972 CB ASP A 182 -11.143 -16.762 -4.926 1.00 0.00 C ATOM 973 CG ASP A 182 -12.023 -17.249 -6.066 1.00 0.00 C ATOM 974 OD1 ASP A 182 -11.589 -17.158 -7.198 1.00 0.00 O ATOM 975 OD2 ASP A 182 -13.119 -17.707 -5.790 1.00 0.00 O ATOM 0 H ASP A 182 -13.215 -15.367 -5.335 1.00 0.00 H new ATOM 0 HA ASP A 182 -10.685 -14.910 -3.942 1.00 0.00 H new ATOM 0 HB2 ASP A 182 -10.120 -17.108 -5.072 1.00 0.00 H new ATOM 0 HB3 ASP A 182 -11.490 -17.183 -3.982 1.00 0.00 H new ATOM 980 N PHE A 183 -9.155 -15.014 -6.182 1.00 0.00 N ATOM 981 CA PHE A 183 -8.340 -14.512 -7.280 1.00 0.00 C ATOM 982 C PHE A 183 -8.923 -14.946 -8.620 1.00 0.00 C ATOM 983 O PHE A 183 -8.996 -14.156 -9.560 1.00 0.00 O ATOM 984 CB PHE A 183 -6.908 -15.038 -7.148 1.00 0.00 C ATOM 985 CG PHE A 183 -6.015 -14.313 -8.132 1.00 0.00 C ATOM 986 CD1 PHE A 183 -5.779 -12.941 -7.977 1.00 0.00 C ATOM 987 CD2 PHE A 183 -5.423 -15.009 -9.194 1.00 0.00 C ATOM 988 CE1 PHE A 183 -4.951 -12.266 -8.881 1.00 0.00 C ATOM 989 CE2 PHE A 183 -4.596 -14.332 -10.097 1.00 0.00 C ATOM 990 CZ PHE A 183 -4.361 -12.961 -9.940 1.00 0.00 C ATOM 0 H PHE A 183 -8.671 -15.649 -5.548 1.00 0.00 H new ATOM 0 HA PHE A 183 -8.332 -13.423 -7.236 1.00 0.00 H new ATOM 0 HB2 PHE A 183 -6.545 -14.887 -6.131 1.00 0.00 H new ATOM 0 HB3 PHE A 183 -6.883 -16.111 -7.339 1.00 0.00 H new ATOM 0 HD1 PHE A 183 -6.236 -12.404 -7.159 1.00 0.00 H new ATOM 0 HD2 PHE A 183 -5.605 -16.067 -9.316 1.00 0.00 H new ATOM 0 HE1 PHE A 183 -4.768 -11.208 -8.760 1.00 0.00 H new ATOM 0 HE2 PHE A 183 -4.139 -14.868 -10.916 1.00 0.00 H new ATOM 0 HZ PHE A 183 -3.723 -12.440 -10.638 1.00 0.00 H new ATOM 1000 N GLU A 184 -9.327 -16.206 -8.709 1.00 0.00 N ATOM 1001 CA GLU A 184 -9.889 -16.731 -9.947 1.00 0.00 C ATOM 1002 C GLU A 184 -11.195 -16.026 -10.289 1.00 0.00 C ATOM 1003 O GLU A 184 -11.466 -15.734 -11.453 1.00 0.00 O ATOM 1004 CB GLU A 184 -10.141 -18.238 -9.809 1.00 0.00 C ATOM 1005 CG GLU A 184 -8.827 -18.951 -9.493 1.00 0.00 C ATOM 1006 CD GLU A 184 -7.864 -18.822 -10.667 1.00 0.00 C ATOM 1007 OE1 GLU A 184 -8.328 -18.534 -11.757 1.00 0.00 O ATOM 1008 OE2 GLU A 184 -6.677 -19.009 -10.458 1.00 0.00 O ATOM 0 H GLU A 184 -9.277 -16.880 -7.945 1.00 0.00 H new ATOM 0 HA GLU A 184 -9.174 -16.552 -10.750 1.00 0.00 H new ATOM 0 HB2 GLU A 184 -10.867 -18.424 -9.018 1.00 0.00 H new ATOM 0 HB3 GLU A 184 -10.567 -18.632 -10.732 1.00 0.00 H new ATOM 0 HG2 GLU A 184 -8.379 -18.523 -8.596 1.00 0.00 H new ATOM 0 HG3 GLU A 184 -9.017 -20.004 -9.283 1.00 0.00 H new ATOM 1015 N GLU A 185 -11.992 -15.739 -9.266 1.00 0.00 N ATOM 1016 CA GLU A 185 -13.264 -15.055 -9.465 1.00 0.00 C ATOM 1017 C GLU A 185 -13.033 -13.590 -9.803 1.00 0.00 C ATOM 1018 O GLU A 185 -13.703 -13.023 -10.664 1.00 0.00 O ATOM 1019 CB GLU A 185 -14.132 -15.175 -8.213 1.00 0.00 C ATOM 1020 CG GLU A 185 -14.628 -16.616 -8.069 1.00 0.00 C ATOM 1021 CD GLU A 185 -15.470 -16.752 -6.804 1.00 0.00 C ATOM 1022 OE1 GLU A 185 -15.709 -15.743 -6.166 1.00 0.00 O ATOM 1023 OE2 GLU A 185 -15.864 -17.863 -6.494 1.00 0.00 O ATOM 0 H GLU A 185 -11.781 -15.968 -8.295 1.00 0.00 H new ATOM 0 HA GLU A 185 -13.783 -15.527 -10.299 1.00 0.00 H new ATOM 0 HB2 GLU A 185 -13.559 -14.887 -7.332 1.00 0.00 H new ATOM 0 HB3 GLU A 185 -14.980 -14.493 -8.279 1.00 0.00 H new ATOM 0 HG2 GLU A 185 -15.219 -16.895 -8.941 1.00 0.00 H new ATOM 0 HG3 GLU A 185 -13.780 -17.299 -8.027 1.00 0.00 H new ATOM 1030 N PHE A 186 -12.065 -12.984 -9.123 1.00 0.00 N ATOM 1031 CA PHE A 186 -11.738 -11.588 -9.366 1.00 0.00 C ATOM 1032 C PHE A 186 -11.255 -11.405 -10.804 1.00 0.00 C ATOM 1033 O PHE A 186 -11.654 -10.460 -11.488 1.00 0.00 O ATOM 1034 CB PHE A 186 -10.653 -11.124 -8.372 1.00 0.00 C ATOM 1035 CG PHE A 186 -9.832 -10.011 -8.989 1.00 0.00 C ATOM 1036 CD1 PHE A 186 -10.421 -8.770 -9.245 1.00 0.00 C ATOM 1037 CD2 PHE A 186 -8.496 -10.237 -9.320 1.00 0.00 C ATOM 1038 CE1 PHE A 186 -9.669 -7.746 -9.831 1.00 0.00 C ATOM 1039 CE2 PHE A 186 -7.738 -9.214 -9.908 1.00 0.00 C ATOM 1040 CZ PHE A 186 -8.327 -7.966 -10.161 1.00 0.00 C ATOM 0 H PHE A 186 -11.498 -13.436 -8.405 1.00 0.00 H new ATOM 0 HA PHE A 186 -12.632 -10.981 -9.220 1.00 0.00 H new ATOM 0 HB2 PHE A 186 -11.117 -10.777 -7.449 1.00 0.00 H new ATOM 0 HB3 PHE A 186 -10.007 -11.961 -8.108 1.00 0.00 H new ATOM 0 HD1 PHE A 186 -11.457 -8.601 -8.990 1.00 0.00 H new ATOM 0 HD2 PHE A 186 -8.046 -11.199 -9.124 1.00 0.00 H new ATOM 0 HE1 PHE A 186 -10.124 -6.787 -10.028 1.00 0.00 H new ATOM 0 HE2 PHE A 186 -6.703 -9.386 -10.165 1.00 0.00 H new ATOM 0 HZ PHE A 186 -7.745 -7.175 -10.610 1.00 0.00 H new ATOM 1050 N VAL A 187 -10.374 -12.297 -11.243 1.00 0.00 N ATOM 1051 CA VAL A 187 -9.826 -12.212 -12.587 1.00 0.00 C ATOM 1052 C VAL A 187 -10.922 -12.433 -13.619 1.00 0.00 C ATOM 1053 O VAL A 187 -10.986 -11.735 -14.629 1.00 0.00 O ATOM 1054 CB VAL A 187 -8.719 -13.253 -12.773 1.00 0.00 C ATOM 1055 CG1 VAL A 187 -8.306 -13.314 -14.248 1.00 0.00 C ATOM 1056 CG2 VAL A 187 -7.504 -12.856 -11.926 1.00 0.00 C ATOM 0 H VAL A 187 -10.027 -13.081 -10.691 1.00 0.00 H new ATOM 0 HA VAL A 187 -9.405 -11.217 -12.727 1.00 0.00 H new ATOM 0 HB VAL A 187 -9.087 -14.230 -12.460 1.00 0.00 H new ATOM 0 HG11 VAL A 187 -7.518 -14.056 -14.375 1.00 0.00 H new ATOM 0 HG12 VAL A 187 -9.167 -13.592 -14.856 1.00 0.00 H new ATOM 0 HG13 VAL A 187 -7.939 -12.337 -14.564 1.00 0.00 H new ATOM 0 HG21 VAL A 187 -6.713 -13.595 -12.056 1.00 0.00 H new ATOM 0 HG22 VAL A 187 -7.143 -11.878 -12.244 1.00 0.00 H new ATOM 0 HG23 VAL A 187 -7.791 -12.813 -10.875 1.00 0.00 H new ATOM 1066 N GLU A 188 -11.772 -13.425 -13.363 1.00 0.00 N ATOM 1067 CA GLU A 188 -12.856 -13.751 -14.282 1.00 0.00 C ATOM 1068 C GLU A 188 -13.455 -12.480 -14.874 1.00 0.00 C ATOM 1069 O GLU A 188 -13.770 -12.424 -16.063 1.00 0.00 O ATOM 1070 CB GLU A 188 -13.942 -14.541 -13.550 1.00 0.00 C ATOM 1071 CG GLU A 188 -14.927 -15.134 -14.566 1.00 0.00 C ATOM 1072 CD GLU A 188 -15.838 -14.038 -15.109 1.00 0.00 C ATOM 1073 OE1 GLU A 188 -16.102 -13.095 -14.380 1.00 0.00 O ATOM 1074 OE2 GLU A 188 -16.253 -14.152 -16.251 1.00 0.00 O ATOM 0 H GLU A 188 -11.730 -14.013 -12.531 1.00 0.00 H new ATOM 0 HA GLU A 188 -12.452 -14.359 -15.092 1.00 0.00 H new ATOM 0 HB2 GLU A 188 -13.490 -15.338 -12.960 1.00 0.00 H new ATOM 0 HB3 GLU A 188 -14.471 -13.890 -12.854 1.00 0.00 H new ATOM 0 HG2 GLU A 188 -14.380 -15.603 -15.384 1.00 0.00 H new ATOM 0 HG3 GLU A 188 -15.524 -15.914 -14.094 1.00 0.00 H new ATOM 1081 N LEU A 189 -13.603 -11.462 -14.039 1.00 0.00 N ATOM 1082 CA LEU A 189 -14.158 -10.195 -14.495 1.00 0.00 C ATOM 1083 C LEU A 189 -13.269 -9.570 -15.559 1.00 0.00 C ATOM 1084 O LEU A 189 -13.759 -9.024 -16.545 1.00 0.00 O ATOM 1085 CB LEU A 189 -14.294 -9.232 -13.307 1.00 0.00 C ATOM 1086 CG LEU A 189 -15.577 -9.558 -12.517 1.00 0.00 C ATOM 1087 CD1 LEU A 189 -15.410 -9.123 -11.060 1.00 0.00 C ATOM 1088 CD2 LEU A 189 -16.763 -8.807 -13.137 1.00 0.00 C ATOM 0 H LEU A 189 -13.349 -11.487 -13.051 1.00 0.00 H new ATOM 0 HA LEU A 189 -15.140 -10.383 -14.929 1.00 0.00 H new ATOM 0 HB2 LEU A 189 -13.424 -9.317 -12.656 1.00 0.00 H new ATOM 0 HB3 LEU A 189 -14.327 -8.202 -13.663 1.00 0.00 H new ATOM 0 HG LEU A 189 -15.761 -10.632 -12.556 1.00 0.00 H new ATOM 0 HD11 LEU A 189 -16.319 -9.355 -10.505 1.00 0.00 H new ATOM 0 HD12 LEU A 189 -14.568 -9.654 -10.616 1.00 0.00 H new ATOM 0 HD13 LEU A 189 -15.224 -8.050 -11.020 1.00 0.00 H new ATOM 0 HD21 LEU A 189 -17.671 -9.037 -12.579 1.00 0.00 H new ATOM 0 HD22 LEU A 189 -16.575 -7.734 -13.098 1.00 0.00 H new ATOM 0 HD23 LEU A 189 -16.887 -9.116 -14.175 1.00 0.00 H new ATOM 1100 N ILE A 190 -11.960 -9.641 -15.345 1.00 0.00 N ATOM 1101 CA ILE A 190 -11.011 -9.068 -16.294 1.00 0.00 C ATOM 1102 C ILE A 190 -10.549 -10.128 -17.288 1.00 0.00 C ATOM 1103 O ILE A 190 -9.536 -9.959 -17.965 1.00 0.00 O ATOM 1104 CB ILE A 190 -9.798 -8.501 -15.543 1.00 0.00 C ATOM 1105 CG1 ILE A 190 -10.260 -7.904 -14.210 1.00 0.00 C ATOM 1106 CG2 ILE A 190 -9.137 -7.407 -16.388 1.00 0.00 C ATOM 1107 CD1 ILE A 190 -9.079 -7.210 -13.525 1.00 0.00 C ATOM 0 H ILE A 190 -11.534 -10.085 -14.531 1.00 0.00 H new ATOM 0 HA ILE A 190 -11.506 -8.265 -16.839 1.00 0.00 H new ATOM 0 HB ILE A 190 -9.080 -9.300 -15.358 1.00 0.00 H new ATOM 0 HG12 ILE A 190 -11.067 -7.191 -14.379 1.00 0.00 H new ATOM 0 HG13 ILE A 190 -10.658 -8.689 -13.566 1.00 0.00 H new ATOM 0 HG21 ILE A 190 -8.276 -7.005 -15.854 1.00 0.00 H new ATOM 0 HG22 ILE A 190 -8.810 -7.829 -17.338 1.00 0.00 H new ATOM 0 HG23 ILE A 190 -9.854 -6.608 -16.574 1.00 0.00 H new ATOM 0 HD11 ILE A 190 -9.407 -6.785 -12.576 1.00 0.00 H new ATOM 0 HD12 ILE A 190 -8.286 -7.936 -13.343 1.00 0.00 H new ATOM 0 HD13 ILE A 190 -8.702 -6.415 -14.168 1.00 0.00 H new ATOM 1119 N SER A 191 -11.295 -11.222 -17.372 1.00 0.00 N ATOM 1120 CA SER A 191 -10.948 -12.305 -18.289 1.00 0.00 C ATOM 1121 C SER A 191 -12.197 -13.071 -18.706 1.00 0.00 C ATOM 1122 O SER A 191 -13.003 -12.503 -19.427 1.00 0.00 O ATOM 1123 CB SER A 191 -9.961 -13.260 -17.619 1.00 0.00 C ATOM 1124 OG SER A 191 -9.603 -14.284 -18.538 1.00 0.00 O ATOM 0 H SER A 191 -12.138 -11.384 -16.822 1.00 0.00 H new ATOM 0 HA SER A 191 -10.487 -11.872 -19.177 1.00 0.00 H new ATOM 0 HB2 SER A 191 -9.072 -12.717 -17.297 1.00 0.00 H new ATOM 0 HB3 SER A 191 -10.408 -13.697 -16.726 1.00 0.00 H new ATOM 0 HG SER A 191 -8.969 -14.898 -18.113 1.00 0.00 H new