USER MOD reduce.3.24.130724 H: found=0, std=0, add=449, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 452 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 136 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Set 1.2: A 148 THR OG1 : rot 180:sc= 0 USER MOD Single : A 128 GLN : amide:sc= -0.211 K(o=-0.21,f=-1.5!) USER MOD Single : A 141 SER OG : rot 180:sc= 0 USER MOD Single : A 150 THR OG1 : rot 180:sc= -0.0701 USER MOD Single : A 152 THR OG1 : rot 180:sc= 0.056 USER MOD Single : A 155 ASN : amide:sc= -0.178 K(o=-0.18,f=-1.8!) USER MOD Single : A 160 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 162 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0117) USER MOD Single : A 164 MET CE :methyl 146:sc= -0.488 (180deg=-2.34!) USER MOD Single : A 166 THR OG1 : rot 180:sc= -0.87 USER MOD Single : A 172 THR OG1 : rot 180:sc= 0 USER MOD Single : A 179 SER OG : rot 180:sc= 0 USER MOD Single : A 180 GLN : amide:sc= -1.57 K(o=-1.6,f=-4.9!) USER MOD Single : A 183 LYS NZ :NH3+ 155:sc= -0.0526 (180deg=-0.377) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 127 -8.426 -11.881 0.602 1.00 0.00 N ATOM 2 CA ALA A 127 -7.624 -10.708 0.168 1.00 0.00 C ATOM 3 C ALA A 127 -6.137 -10.936 0.425 1.00 0.00 C ATOM 4 O ALA A 127 -5.487 -10.148 1.112 1.00 0.00 O ATOM 5 CB ALA A 127 -8.099 -9.451 0.882 1.00 0.00 C ATOM 0 HA ALA A 127 -7.765 -10.578 -0.905 1.00 0.00 H new ATOM 0 HB1 ALA A 127 -7.503 -8.599 0.555 1.00 0.00 H new ATOM 0 HB2 ALA A 127 -9.148 -9.272 0.645 1.00 0.00 H new ATOM 0 HB3 ALA A 127 -7.987 -9.580 1.959 1.00 0.00 H new ATOM 13 N GLN A 128 -5.607 -12.021 -0.129 1.00 0.00 N ATOM 14 CA GLN A 128 -4.197 -12.355 0.039 1.00 0.00 C ATOM 15 C GLN A 128 -3.438 -12.205 -1.275 1.00 0.00 C ATOM 16 O GLN A 128 -2.251 -11.885 -1.284 1.00 0.00 O ATOM 17 CB GLN A 128 -4.050 -13.784 0.566 1.00 0.00 C ATOM 18 CG GLN A 128 -4.894 -14.068 1.798 1.00 0.00 C ATOM 19 CD GLN A 128 -4.091 -14.682 2.929 1.00 0.00 C ATOM 20 OE1 GLN A 128 -3.015 -15.241 2.709 1.00 0.00 O ATOM 21 NE2 GLN A 128 -4.610 -14.578 4.147 1.00 0.00 N ATOM 0 H GLN A 128 -6.132 -12.684 -0.698 1.00 0.00 H new ATOM 0 HA GLN A 128 -3.770 -11.661 0.763 1.00 0.00 H new ATOM 0 HB2 GLN A 128 -4.327 -14.484 -0.223 1.00 0.00 H new ATOM 0 HB3 GLN A 128 -3.002 -13.969 0.803 1.00 0.00 H new ATOM 0 HG2 GLN A 128 -5.349 -13.140 2.143 1.00 0.00 H new ATOM 0 HG3 GLN A 128 -5.708 -14.741 1.529 1.00 0.00 H new ATOM 0 HE21 GLN A 128 -5.504 -14.106 4.282 1.00 0.00 H new ATOM 0 HE22 GLN A 128 -4.114 -14.970 4.948 1.00 0.00 H new ATOM 30 N VAL A 129 -4.132 -12.439 -2.384 1.00 0.00 N ATOM 31 CA VAL A 129 -3.522 -12.331 -3.703 1.00 0.00 C ATOM 32 C VAL A 129 -3.741 -10.942 -4.299 1.00 0.00 C ATOM 33 O VAL A 129 -2.924 -10.456 -5.083 1.00 0.00 O ATOM 34 CB VAL A 129 -4.081 -13.392 -4.671 1.00 0.00 C ATOM 35 CG1 VAL A 129 -5.579 -13.203 -4.869 1.00 0.00 C ATOM 36 CG2 VAL A 129 -3.351 -13.341 -6.004 1.00 0.00 C ATOM 0 H VAL A 129 -5.117 -12.704 -2.395 1.00 0.00 H new ATOM 0 HA VAL A 129 -2.453 -12.501 -3.572 1.00 0.00 H new ATOM 0 HB VAL A 129 -3.917 -14.376 -4.231 1.00 0.00 H new ATOM 0 HG11 VAL A 129 -5.954 -13.962 -5.556 1.00 0.00 H new ATOM 0 HG12 VAL A 129 -6.088 -13.298 -3.910 1.00 0.00 H new ATOM 0 HG13 VAL A 129 -5.769 -12.213 -5.284 1.00 0.00 H new ATOM 0 HG21 VAL A 129 -3.761 -14.098 -6.673 1.00 0.00 H new ATOM 0 HG22 VAL A 129 -3.478 -12.355 -6.451 1.00 0.00 H new ATOM 0 HG23 VAL A 129 -2.290 -13.533 -5.845 1.00 0.00 H new ATOM 46 N ALA A 130 -4.845 -10.308 -3.921 1.00 0.00 N ATOM 47 CA ALA A 130 -5.170 -8.977 -4.419 1.00 0.00 C ATOM 48 C ALA A 130 -4.109 -7.962 -4.007 1.00 0.00 C ATOM 49 O ALA A 130 -3.344 -7.477 -4.841 1.00 0.00 O ATOM 50 CB ALA A 130 -6.539 -8.546 -3.915 1.00 0.00 C ATOM 0 H ALA A 130 -5.530 -10.694 -3.271 1.00 0.00 H new ATOM 0 HA ALA A 130 -5.192 -9.018 -5.508 1.00 0.00 H new ATOM 0 HB1 ALA A 130 -6.769 -7.550 -4.294 1.00 0.00 H new ATOM 0 HB2 ALA A 130 -7.294 -9.251 -4.264 1.00 0.00 H new ATOM 0 HB3 ALA A 130 -6.536 -8.528 -2.825 1.00 0.00 H new ATOM 56 N PHE A 131 -4.071 -7.642 -2.718 1.00 0.00 N ATOM 57 CA PHE A 131 -3.103 -6.684 -2.196 1.00 0.00 C ATOM 58 C PHE A 131 -2.143 -7.355 -1.218 1.00 0.00 C ATOM 59 O PHE A 131 -2.381 -8.477 -0.771 1.00 0.00 O ATOM 60 CB PHE A 131 -3.825 -5.526 -1.505 1.00 0.00 C ATOM 61 CG PHE A 131 -2.960 -4.315 -1.301 1.00 0.00 C ATOM 62 CD1 PHE A 131 -2.474 -3.602 -2.386 1.00 0.00 C ATOM 63 CD2 PHE A 131 -2.631 -3.890 -0.022 1.00 0.00 C ATOM 64 CE1 PHE A 131 -1.678 -2.488 -2.200 1.00 0.00 C ATOM 65 CE2 PHE A 131 -1.836 -2.777 0.169 1.00 0.00 C ATOM 66 CZ PHE A 131 -1.358 -2.074 -0.920 1.00 0.00 C ATOM 0 H PHE A 131 -4.699 -8.032 -2.015 1.00 0.00 H new ATOM 0 HA PHE A 131 -2.525 -6.296 -3.035 1.00 0.00 H new ATOM 0 HB2 PHE A 131 -4.695 -5.245 -2.099 1.00 0.00 H new ATOM 0 HB3 PHE A 131 -4.195 -5.865 -0.537 1.00 0.00 H new ATOM 0 HD1 PHE A 131 -2.720 -3.921 -3.388 1.00 0.00 H new ATOM 0 HD2 PHE A 131 -3.001 -4.436 0.834 1.00 0.00 H new ATOM 0 HE1 PHE A 131 -1.306 -1.941 -3.054 1.00 0.00 H new ATOM 0 HE2 PHE A 131 -1.588 -2.456 1.170 1.00 0.00 H new ATOM 0 HZ PHE A 131 -0.736 -1.203 -0.772 1.00 0.00 H new ATOM 76 N ARG A 132 -1.060 -6.658 -0.888 1.00 0.00 N ATOM 77 CA ARG A 132 -0.065 -7.187 0.038 1.00 0.00 C ATOM 78 C ARG A 132 0.249 -6.172 1.134 1.00 0.00 C ATOM 79 O ARG A 132 0.342 -4.972 0.877 1.00 0.00 O ATOM 80 CB ARG A 132 1.214 -7.558 -0.716 1.00 0.00 C ATOM 81 CG ARG A 132 1.598 -9.022 -0.575 1.00 0.00 C ATOM 82 CD ARG A 132 2.382 -9.274 0.702 1.00 0.00 C ATOM 83 NE ARG A 132 3.018 -10.590 0.706 1.00 0.00 N ATOM 84 CZ ARG A 132 3.455 -11.197 1.806 1.00 0.00 C ATOM 85 NH1 ARG A 132 3.330 -10.613 2.991 1.00 0.00 N ATOM 86 NH2 ARG A 132 4.021 -12.394 1.720 1.00 0.00 N ATOM 0 H ARG A 132 -0.849 -5.727 -1.248 1.00 0.00 H new ATOM 0 HA ARG A 132 -0.475 -8.083 0.505 1.00 0.00 H new ATOM 0 HB2 ARG A 132 1.084 -7.325 -1.773 1.00 0.00 H new ATOM 0 HB3 ARG A 132 2.034 -6.939 -0.352 1.00 0.00 H new ATOM 0 HG2 ARG A 132 0.698 -9.637 -0.577 1.00 0.00 H new ATOM 0 HG3 ARG A 132 2.194 -9.327 -1.435 1.00 0.00 H new ATOM 0 HD2 ARG A 132 3.144 -8.503 0.817 1.00 0.00 H new ATOM 0 HD3 ARG A 132 1.714 -9.192 1.559 1.00 0.00 H new ATOM 0 HE ARG A 132 3.133 -11.071 -0.186 1.00 0.00 H new ATOM 0 HH11 ARG A 132 2.896 -9.693 3.063 1.00 0.00 H new ATOM 0 HH12 ARG A 132 3.667 -11.085 3.830 1.00 0.00 H new ATOM 0 HH21 ARG A 132 4.120 -12.847 0.812 1.00 0.00 H new ATOM 0 HH22 ARG A 132 4.357 -12.861 2.562 1.00 0.00 H new ATOM 100 N GLU A 133 0.411 -6.664 2.359 1.00 0.00 N ATOM 101 CA GLU A 133 0.716 -5.800 3.494 1.00 0.00 C ATOM 102 C GLU A 133 2.125 -5.230 3.380 1.00 0.00 C ATOM 103 O GLU A 133 3.070 -5.944 3.045 1.00 0.00 O ATOM 104 CB GLU A 133 0.572 -6.577 4.804 1.00 0.00 C ATOM 105 CG GLU A 133 1.419 -7.836 4.860 1.00 0.00 C ATOM 106 CD GLU A 133 1.825 -8.202 6.275 1.00 0.00 C ATOM 107 OE1 GLU A 133 2.790 -7.601 6.791 1.00 0.00 O ATOM 108 OE2 GLU A 133 1.176 -9.090 6.867 1.00 0.00 O ATOM 0 H GLU A 133 0.336 -7.655 2.590 1.00 0.00 H new ATOM 0 HA GLU A 133 0.007 -4.972 3.490 1.00 0.00 H new ATOM 0 HB2 GLU A 133 0.847 -5.927 5.634 1.00 0.00 H new ATOM 0 HB3 GLU A 133 -0.475 -6.847 4.944 1.00 0.00 H new ATOM 0 HG2 GLU A 133 0.863 -8.664 4.420 1.00 0.00 H new ATOM 0 HG3 GLU A 133 2.314 -7.695 4.254 1.00 0.00 H new ATOM 115 N GLY A 134 2.259 -3.937 3.658 1.00 0.00 N ATOM 116 CA GLY A 134 3.557 -3.294 3.582 1.00 0.00 C ATOM 117 C GLY A 134 4.088 -3.218 2.163 1.00 0.00 C ATOM 118 O GLY A 134 5.292 -3.072 1.954 1.00 0.00 O ATOM 0 H GLY A 134 1.492 -3.324 3.934 1.00 0.00 H new ATOM 0 HA2 GLY A 134 3.484 -2.287 3.993 1.00 0.00 H new ATOM 0 HA3 GLY A 134 4.266 -3.841 4.203 1.00 0.00 H new ATOM 122 N ASP A 135 3.190 -3.315 1.186 1.00 0.00 N ATOM 123 CA ASP A 135 3.583 -3.255 -0.216 1.00 0.00 C ATOM 124 C ASP A 135 3.832 -1.812 -0.648 1.00 0.00 C ATOM 125 O ASP A 135 3.420 -0.871 0.031 1.00 0.00 O ATOM 126 CB ASP A 135 2.505 -3.886 -1.100 1.00 0.00 C ATOM 127 CG ASP A 135 3.074 -4.477 -2.374 1.00 0.00 C ATOM 128 OD1 ASP A 135 3.796 -3.757 -3.093 1.00 0.00 O ATOM 129 OD2 ASP A 135 2.796 -5.663 -2.654 1.00 0.00 O ATOM 0 H ASP A 135 2.189 -3.435 1.340 1.00 0.00 H new ATOM 0 HA ASP A 135 4.510 -3.817 -0.332 1.00 0.00 H new ATOM 0 HB2 ASP A 135 1.990 -4.666 -0.539 1.00 0.00 H new ATOM 0 HB3 ASP A 135 1.760 -3.132 -1.354 1.00 0.00 H new ATOM 134 N GLN A 136 4.512 -1.646 -1.777 1.00 0.00 N ATOM 135 CA GLN A 136 4.818 -0.319 -2.298 1.00 0.00 C ATOM 136 C GLN A 136 3.899 0.038 -3.462 1.00 0.00 C ATOM 137 O GLN A 136 3.806 -0.701 -4.441 1.00 0.00 O ATOM 138 CB GLN A 136 6.278 -0.249 -2.748 1.00 0.00 C ATOM 139 CG GLN A 136 7.231 0.199 -1.653 1.00 0.00 C ATOM 140 CD GLN A 136 8.664 0.310 -2.135 1.00 0.00 C ATOM 141 OE1 GLN A 136 9.375 -0.689 -2.235 1.00 0.00 O ATOM 142 NE2 GLN A 136 9.096 1.529 -2.436 1.00 0.00 N ATOM 0 H GLN A 136 4.862 -2.414 -2.349 1.00 0.00 H new ATOM 0 HA GLN A 136 4.655 0.402 -1.497 1.00 0.00 H new ATOM 0 HB2 GLN A 136 6.586 -1.231 -3.107 1.00 0.00 H new ATOM 0 HB3 GLN A 136 6.357 0.438 -3.591 1.00 0.00 H new ATOM 0 HG2 GLN A 136 6.906 1.165 -1.267 1.00 0.00 H new ATOM 0 HG3 GLN A 136 7.184 -0.508 -0.824 1.00 0.00 H new ATOM 0 HE21 GLN A 136 8.472 2.330 -2.338 1.00 0.00 H new ATOM 0 HE22 GLN A 136 10.052 1.665 -2.765 1.00 0.00 H new ATOM 151 N VAL A 137 3.223 1.177 -3.344 1.00 0.00 N ATOM 152 CA VAL A 137 2.311 1.636 -4.384 1.00 0.00 C ATOM 153 C VAL A 137 2.517 3.119 -4.675 1.00 0.00 C ATOM 154 O VAL A 137 2.800 3.903 -3.769 1.00 0.00 O ATOM 155 CB VAL A 137 0.843 1.401 -3.987 1.00 0.00 C ATOM 156 CG1 VAL A 137 0.547 -0.087 -3.887 1.00 0.00 C ATOM 157 CG2 VAL A 137 0.526 2.104 -2.675 1.00 0.00 C ATOM 0 H VAL A 137 3.290 1.798 -2.538 1.00 0.00 H new ATOM 0 HA VAL A 137 2.533 1.057 -5.280 1.00 0.00 H new ATOM 0 HB VAL A 137 0.205 1.823 -4.763 1.00 0.00 H new ATOM 0 HG11 VAL A 137 -0.496 -0.232 -3.605 1.00 0.00 H new ATOM 0 HG12 VAL A 137 0.732 -0.560 -4.851 1.00 0.00 H new ATOM 0 HG13 VAL A 137 1.193 -0.537 -3.133 1.00 0.00 H new ATOM 0 HG21 VAL A 137 -0.516 1.927 -2.410 1.00 0.00 H new ATOM 0 HG22 VAL A 137 1.172 1.714 -1.888 1.00 0.00 H new ATOM 0 HG23 VAL A 137 0.695 3.175 -2.786 1.00 0.00 H new ATOM 167 N ARG A 138 2.374 3.500 -5.941 1.00 0.00 N ATOM 168 CA ARG A 138 2.546 4.891 -6.340 1.00 0.00 C ATOM 169 C ARG A 138 1.296 5.705 -6.026 1.00 0.00 C ATOM 170 O ARG A 138 0.240 5.151 -5.723 1.00 0.00 O ATOM 171 CB ARG A 138 2.873 4.988 -7.833 1.00 0.00 C ATOM 172 CG ARG A 138 4.051 5.902 -8.140 1.00 0.00 C ATOM 173 CD ARG A 138 4.988 5.282 -9.167 1.00 0.00 C ATOM 174 NE ARG A 138 5.229 6.177 -10.298 1.00 0.00 N ATOM 175 CZ ARG A 138 4.377 6.338 -11.307 1.00 0.00 C ATOM 176 NH1 ARG A 138 3.232 5.668 -11.334 1.00 0.00 N ATOM 177 NH2 ARG A 138 4.672 7.173 -12.295 1.00 0.00 N ATOM 0 H ARG A 138 2.140 2.866 -6.705 1.00 0.00 H new ATOM 0 HA ARG A 138 3.380 5.302 -5.770 1.00 0.00 H new ATOM 0 HB2 ARG A 138 3.089 3.990 -8.215 1.00 0.00 H new ATOM 0 HB3 ARG A 138 1.994 5.350 -8.366 1.00 0.00 H new ATOM 0 HG2 ARG A 138 3.683 6.858 -8.513 1.00 0.00 H new ATOM 0 HG3 ARG A 138 4.601 6.108 -7.222 1.00 0.00 H new ATOM 0 HD2 ARG A 138 5.937 5.036 -8.690 1.00 0.00 H new ATOM 0 HD3 ARG A 138 4.561 4.347 -9.529 1.00 0.00 H new ATOM 0 HE ARG A 138 6.100 6.708 -10.314 1.00 0.00 H new ATOM 0 HH11 ARG A 138 3.000 5.024 -10.578 1.00 0.00 H new ATOM 0 HH12 ARG A 138 2.584 5.797 -12.111 1.00 0.00 H new ATOM 0 HH21 ARG A 138 5.551 7.690 -12.280 1.00 0.00 H new ATOM 0 HH22 ARG A 138 4.020 7.298 -13.069 1.00 0.00 H new ATOM 191 N VAL A 139 1.429 7.023 -6.102 1.00 0.00 N ATOM 192 CA VAL A 139 0.315 7.925 -5.826 1.00 0.00 C ATOM 193 C VAL A 139 -0.619 8.023 -7.031 1.00 0.00 C ATOM 194 O VAL A 139 -0.289 7.557 -8.121 1.00 0.00 O ATOM 195 CB VAL A 139 0.823 9.333 -5.457 1.00 0.00 C ATOM 196 CG1 VAL A 139 -0.296 10.174 -4.859 1.00 0.00 C ATOM 197 CG2 VAL A 139 2.000 9.243 -4.496 1.00 0.00 C ATOM 0 H VAL A 139 2.299 7.493 -6.353 1.00 0.00 H new ATOM 0 HA VAL A 139 -0.236 7.513 -4.980 1.00 0.00 H new ATOM 0 HB VAL A 139 1.162 9.822 -6.370 1.00 0.00 H new ATOM 0 HG11 VAL A 139 0.087 11.163 -4.607 1.00 0.00 H new ATOM 0 HG12 VAL A 139 -1.104 10.272 -5.583 1.00 0.00 H new ATOM 0 HG13 VAL A 139 -0.673 9.690 -3.958 1.00 0.00 H new ATOM 0 HG21 VAL A 139 2.344 10.247 -4.247 1.00 0.00 H new ATOM 0 HG22 VAL A 139 1.688 8.731 -3.586 1.00 0.00 H new ATOM 0 HG23 VAL A 139 2.811 8.687 -4.966 1.00 0.00 H new ATOM 207 N VAL A 140 -1.793 8.613 -6.823 1.00 0.00 N ATOM 208 CA VAL A 140 -2.776 8.750 -7.893 1.00 0.00 C ATOM 209 C VAL A 140 -2.446 9.915 -8.829 1.00 0.00 C ATOM 210 O VAL A 140 -2.205 9.708 -10.018 1.00 0.00 O ATOM 211 CB VAL A 140 -4.210 8.917 -7.328 1.00 0.00 C ATOM 212 CG1 VAL A 140 -4.266 10.000 -6.257 1.00 0.00 C ATOM 213 CG2 VAL A 140 -5.202 9.214 -8.445 1.00 0.00 C ATOM 0 H VAL A 140 -2.086 9.002 -5.927 1.00 0.00 H new ATOM 0 HA VAL A 140 -2.733 7.827 -8.472 1.00 0.00 H new ATOM 0 HB VAL A 140 -4.490 7.973 -6.861 1.00 0.00 H new ATOM 0 HG11 VAL A 140 -5.286 10.090 -5.883 1.00 0.00 H new ATOM 0 HG12 VAL A 140 -3.601 9.734 -5.436 1.00 0.00 H new ATOM 0 HG13 VAL A 140 -3.951 10.952 -6.685 1.00 0.00 H new ATOM 0 HG21 VAL A 140 -6.201 9.327 -8.024 1.00 0.00 H new ATOM 0 HG22 VAL A 140 -4.915 10.136 -8.951 1.00 0.00 H new ATOM 0 HG23 VAL A 140 -5.201 8.392 -9.161 1.00 0.00 H new ATOM 223 N SER A 141 -2.443 11.139 -8.303 1.00 0.00 N ATOM 224 CA SER A 141 -2.148 12.312 -9.119 1.00 0.00 C ATOM 225 C SER A 141 -1.733 13.497 -8.249 1.00 0.00 C ATOM 226 O SER A 141 -1.401 13.333 -7.075 1.00 0.00 O ATOM 227 CB SER A 141 -3.367 12.682 -9.967 1.00 0.00 C ATOM 228 OG SER A 141 -2.976 13.140 -11.250 1.00 0.00 O ATOM 0 H SER A 141 -2.640 11.342 -7.323 1.00 0.00 H new ATOM 0 HA SER A 141 -1.315 12.067 -9.778 1.00 0.00 H new ATOM 0 HB2 SER A 141 -4.019 11.815 -10.070 1.00 0.00 H new ATOM 0 HB3 SER A 141 -3.944 13.456 -9.461 1.00 0.00 H new ATOM 0 HG SER A 141 -3.773 13.368 -11.773 1.00 0.00 H new ATOM 234 N GLY A 142 -1.757 14.692 -8.835 1.00 0.00 N ATOM 235 CA GLY A 142 -1.385 15.889 -8.104 1.00 0.00 C ATOM 236 C GLY A 142 0.118 16.049 -7.981 1.00 0.00 C ATOM 237 O GLY A 142 0.874 15.354 -8.659 1.00 0.00 O ATOM 0 H GLY A 142 -2.028 14.851 -9.805 1.00 0.00 H new ATOM 0 HA2 GLY A 142 -1.800 16.762 -8.607 1.00 0.00 H new ATOM 0 HA3 GLY A 142 -1.827 15.855 -7.108 1.00 0.00 H new ATOM 241 N PRO A 143 0.587 16.961 -7.111 1.00 0.00 N ATOM 242 CA PRO A 143 2.021 17.191 -6.910 1.00 0.00 C ATOM 243 C PRO A 143 2.733 15.949 -6.384 1.00 0.00 C ATOM 244 O PRO A 143 3.958 15.847 -6.454 1.00 0.00 O ATOM 245 CB PRO A 143 2.069 18.316 -5.867 1.00 0.00 C ATOM 246 CG PRO A 143 0.734 18.288 -5.204 1.00 0.00 C ATOM 247 CD PRO A 143 -0.238 17.830 -6.254 1.00 0.00 C ATOM 0 HA PRO A 143 2.526 17.442 -7.843 1.00 0.00 H new ATOM 0 HB2 PRO A 143 2.870 18.152 -5.147 1.00 0.00 H new ATOM 0 HB3 PRO A 143 2.256 19.282 -6.337 1.00 0.00 H new ATOM 0 HG2 PRO A 143 0.736 17.609 -4.351 1.00 0.00 H new ATOM 0 HG3 PRO A 143 0.465 19.274 -4.826 1.00 0.00 H new ATOM 0 HD2 PRO A 143 -1.077 17.288 -5.818 1.00 0.00 H new ATOM 0 HD3 PRO A 143 -0.655 18.669 -6.812 1.00 0.00 H new ATOM 255 N PHE A 144 1.956 15.005 -5.858 1.00 0.00 N ATOM 256 CA PHE A 144 2.510 13.768 -5.322 1.00 0.00 C ATOM 257 C PHE A 144 2.400 12.632 -6.334 1.00 0.00 C ATOM 258 O PHE A 144 2.453 11.462 -5.963 1.00 0.00 O ATOM 259 CB PHE A 144 1.779 13.370 -4.035 1.00 0.00 C ATOM 260 CG PHE A 144 1.345 14.535 -3.191 1.00 0.00 C ATOM 261 CD1 PHE A 144 2.280 15.359 -2.585 1.00 0.00 C ATOM 262 CD2 PHE A 144 -0.002 14.803 -3.004 1.00 0.00 C ATOM 263 CE1 PHE A 144 1.878 16.429 -1.808 1.00 0.00 C ATOM 264 CE2 PHE A 144 -0.409 15.871 -2.229 1.00 0.00 C ATOM 265 CZ PHE A 144 0.532 16.685 -1.629 1.00 0.00 C ATOM 0 H PHE A 144 0.941 15.075 -5.792 1.00 0.00 H new ATOM 0 HA PHE A 144 3.563 13.945 -5.105 1.00 0.00 H new ATOM 0 HB2 PHE A 144 0.902 12.778 -4.296 1.00 0.00 H new ATOM 0 HB3 PHE A 144 2.432 12.729 -3.442 1.00 0.00 H new ATOM 0 HD1 PHE A 144 3.333 15.163 -2.721 1.00 0.00 H new ATOM 0 HD2 PHE A 144 -0.742 14.169 -3.470 1.00 0.00 H new ATOM 0 HE1 PHE A 144 2.616 17.065 -1.341 1.00 0.00 H new ATOM 0 HE2 PHE A 144 -1.462 16.070 -2.092 1.00 0.00 H new ATOM 0 HZ PHE A 144 0.216 17.520 -1.021 1.00 0.00 H new ATOM 275 N ALA A 145 2.241 12.974 -7.610 1.00 0.00 N ATOM 276 CA ALA A 145 2.114 11.966 -8.659 1.00 0.00 C ATOM 277 C ALA A 145 3.472 11.442 -9.119 1.00 0.00 C ATOM 278 O ALA A 145 3.686 11.211 -10.309 1.00 0.00 O ATOM 279 CB ALA A 145 1.340 12.535 -9.839 1.00 0.00 C ATOM 0 H ALA A 145 2.197 13.938 -7.942 1.00 0.00 H new ATOM 0 HA ALA A 145 1.566 11.122 -8.239 1.00 0.00 H new ATOM 0 HB1 ALA A 145 1.251 11.776 -10.616 1.00 0.00 H new ATOM 0 HB2 ALA A 145 0.345 12.837 -9.510 1.00 0.00 H new ATOM 0 HB3 ALA A 145 1.869 13.401 -10.237 1.00 0.00 H new ATOM 285 N ASP A 146 4.383 11.244 -8.172 1.00 0.00 N ATOM 286 CA ASP A 146 5.712 10.734 -8.487 1.00 0.00 C ATOM 287 C ASP A 146 6.376 10.160 -7.240 1.00 0.00 C ATOM 288 O ASP A 146 7.587 10.284 -7.052 1.00 0.00 O ATOM 289 CB ASP A 146 6.583 11.840 -9.089 1.00 0.00 C ATOM 290 CG ASP A 146 6.581 11.814 -10.605 1.00 0.00 C ATOM 291 OD1 ASP A 146 7.395 11.064 -11.187 1.00 0.00 O ATOM 292 OD2 ASP A 146 5.767 12.541 -11.211 1.00 0.00 O ATOM 0 H ASP A 146 4.225 11.429 -7.181 1.00 0.00 H new ATOM 0 HA ASP A 146 5.606 9.936 -9.222 1.00 0.00 H new ATOM 0 HB2 ASP A 146 6.224 12.810 -8.744 1.00 0.00 H new ATOM 0 HB3 ASP A 146 7.606 11.731 -8.727 1.00 0.00 H new ATOM 297 N PHE A 147 5.573 9.533 -6.391 1.00 0.00 N ATOM 298 CA PHE A 147 6.075 8.939 -5.159 1.00 0.00 C ATOM 299 C PHE A 147 5.263 7.704 -4.787 1.00 0.00 C ATOM 300 O PHE A 147 4.136 7.527 -5.250 1.00 0.00 O ATOM 301 CB PHE A 147 6.027 9.958 -4.017 1.00 0.00 C ATOM 302 CG PHE A 147 6.665 11.274 -4.359 1.00 0.00 C ATOM 303 CD1 PHE A 147 5.981 12.218 -5.109 1.00 0.00 C ATOM 304 CD2 PHE A 147 7.951 11.567 -3.929 1.00 0.00 C ATOM 305 CE1 PHE A 147 6.567 13.429 -5.424 1.00 0.00 C ATOM 306 CE2 PHE A 147 8.540 12.778 -4.242 1.00 0.00 C ATOM 307 CZ PHE A 147 7.848 13.710 -4.990 1.00 0.00 C ATOM 0 H PHE A 147 4.569 9.422 -6.533 1.00 0.00 H new ATOM 0 HA PHE A 147 7.110 8.640 -5.323 1.00 0.00 H new ATOM 0 HB2 PHE A 147 4.987 10.129 -3.737 1.00 0.00 H new ATOM 0 HB3 PHE A 147 6.527 9.537 -3.144 1.00 0.00 H new ATOM 0 HD1 PHE A 147 4.979 12.005 -5.451 1.00 0.00 H new ATOM 0 HD2 PHE A 147 8.497 10.842 -3.344 1.00 0.00 H new ATOM 0 HE1 PHE A 147 6.024 14.156 -6.009 1.00 0.00 H new ATOM 0 HE2 PHE A 147 9.542 12.995 -3.901 1.00 0.00 H new ATOM 0 HZ PHE A 147 8.307 14.656 -5.235 1.00 0.00 H new ATOM 317 N THR A 148 5.842 6.852 -3.947 1.00 0.00 N ATOM 318 CA THR A 148 5.167 5.636 -3.514 1.00 0.00 C ATOM 319 C THR A 148 4.762 5.733 -2.048 1.00 0.00 C ATOM 320 O THR A 148 4.980 6.757 -1.400 1.00 0.00 O ATOM 321 CB THR A 148 6.071 4.421 -3.730 1.00 0.00 C ATOM 322 OG1 THR A 148 7.400 4.706 -3.327 1.00 0.00 O ATOM 323 CG2 THR A 148 6.116 3.955 -5.168 1.00 0.00 C ATOM 0 H THR A 148 6.774 6.981 -3.554 1.00 0.00 H new ATOM 0 HA THR A 148 4.264 5.517 -4.113 1.00 0.00 H new ATOM 0 HB THR A 148 5.636 3.627 -3.123 1.00 0.00 H new ATOM 0 HG1 THR A 148 7.962 3.916 -3.471 1.00 0.00 H new ATOM 0 HG21 THR A 148 6.775 3.091 -5.250 1.00 0.00 H new ATOM 0 HG22 THR A 148 5.113 3.678 -5.492 1.00 0.00 H new ATOM 0 HG23 THR A 148 6.493 4.760 -5.800 1.00 0.00 H new ATOM 331 N GLY A 149 4.170 4.661 -1.531 1.00 0.00 N ATOM 332 CA GLY A 149 3.742 4.650 -0.146 1.00 0.00 C ATOM 333 C GLY A 149 3.828 3.271 0.480 1.00 0.00 C ATOM 334 O GLY A 149 3.505 2.270 -0.158 1.00 0.00 O ATOM 0 H GLY A 149 3.980 3.802 -2.046 1.00 0.00 H new ATOM 0 HA2 GLY A 149 4.358 5.344 0.426 1.00 0.00 H new ATOM 0 HA3 GLY A 149 2.715 5.010 -0.084 1.00 0.00 H new ATOM 338 N THR A 150 4.265 3.222 1.735 1.00 0.00 N ATOM 339 CA THR A 150 4.394 1.958 2.452 1.00 0.00 C ATOM 340 C THR A 150 3.171 1.700 3.328 1.00 0.00 C ATOM 341 O THR A 150 2.970 2.370 4.341 1.00 0.00 O ATOM 342 CB THR A 150 5.659 1.967 3.311 1.00 0.00 C ATOM 343 OG1 THR A 150 6.712 2.643 2.647 1.00 0.00 O ATOM 344 CG2 THR A 150 6.155 0.580 3.663 1.00 0.00 C ATOM 0 H THR A 150 4.536 4.043 2.276 1.00 0.00 H new ATOM 0 HA THR A 150 4.465 1.156 1.717 1.00 0.00 H new ATOM 0 HB THR A 150 5.378 2.479 4.231 1.00 0.00 H new ATOM 0 HG1 THR A 150 7.512 2.639 3.214 1.00 0.00 H new ATOM 0 HG21 THR A 150 7.055 0.659 4.273 1.00 0.00 H new ATOM 0 HG22 THR A 150 5.384 0.049 4.221 1.00 0.00 H new ATOM 0 HG23 THR A 150 6.384 0.032 2.749 1.00 0.00 H new ATOM 352 N VAL A 151 2.358 0.726 2.930 1.00 0.00 N ATOM 353 CA VAL A 151 1.155 0.382 3.681 1.00 0.00 C ATOM 354 C VAL A 151 1.502 -0.155 5.065 1.00 0.00 C ATOM 355 O VAL A 151 1.890 -1.313 5.214 1.00 0.00 O ATOM 356 CB VAL A 151 0.305 -0.666 2.938 1.00 0.00 C ATOM 357 CG1 VAL A 151 -1.047 -0.835 3.615 1.00 0.00 C ATOM 358 CG2 VAL A 151 0.134 -0.279 1.477 1.00 0.00 C ATOM 0 H VAL A 151 2.510 0.162 2.094 1.00 0.00 H new ATOM 0 HA VAL A 151 0.578 1.301 3.784 1.00 0.00 H new ATOM 0 HB VAL A 151 0.827 -1.622 2.977 1.00 0.00 H new ATOM 0 HG11 VAL A 151 -1.633 -1.579 3.076 1.00 0.00 H new ATOM 0 HG12 VAL A 151 -0.900 -1.164 4.644 1.00 0.00 H new ATOM 0 HG13 VAL A 151 -1.577 0.117 3.611 1.00 0.00 H new ATOM 0 HG21 VAL A 151 -0.469 -1.032 0.969 1.00 0.00 H new ATOM 0 HG22 VAL A 151 -0.364 0.689 1.413 1.00 0.00 H new ATOM 0 HG23 VAL A 151 1.112 -0.216 1.000 1.00 0.00 H new ATOM 368 N THR A 152 1.354 0.693 6.077 1.00 0.00 N ATOM 369 CA THR A 152 1.649 0.302 7.450 1.00 0.00 C ATOM 370 C THR A 152 0.402 -0.246 8.137 1.00 0.00 C ATOM 371 O THR A 152 0.486 -1.146 8.973 1.00 0.00 O ATOM 372 CB THR A 152 2.198 1.494 8.235 1.00 0.00 C ATOM 373 OG1 THR A 152 1.717 2.714 7.698 1.00 0.00 O ATOM 374 CG2 THR A 152 3.710 1.562 8.241 1.00 0.00 C ATOM 0 H THR A 152 1.032 1.655 5.972 1.00 0.00 H new ATOM 0 HA THR A 152 2.404 -0.484 7.425 1.00 0.00 H new ATOM 0 HB THR A 152 1.852 1.348 9.258 1.00 0.00 H new ATOM 0 HG1 THR A 152 2.078 3.464 8.215 1.00 0.00 H new ATOM 0 HG21 THR A 152 4.033 2.431 8.815 1.00 0.00 H new ATOM 0 HG22 THR A 152 4.113 0.657 8.695 1.00 0.00 H new ATOM 0 HG23 THR A 152 4.074 1.648 7.217 1.00 0.00 H new ATOM 382 N GLU A 153 -0.754 0.303 7.778 1.00 0.00 N ATOM 383 CA GLU A 153 -2.019 -0.131 8.359 1.00 0.00 C ATOM 384 C GLU A 153 -3.113 -0.193 7.300 1.00 0.00 C ATOM 385 O GLU A 153 -3.094 0.561 6.327 1.00 0.00 O ATOM 386 CB GLU A 153 -2.437 0.814 9.487 1.00 0.00 C ATOM 387 CG GLU A 153 -1.900 0.409 10.851 1.00 0.00 C ATOM 388 CD GLU A 153 -0.903 1.407 11.407 1.00 0.00 C ATOM 389 OE1 GLU A 153 0.211 1.505 10.852 1.00 0.00 O ATOM 390 OE2 GLU A 153 -1.238 2.092 12.396 1.00 0.00 O ATOM 0 H GLU A 153 -0.841 1.049 7.088 1.00 0.00 H new ATOM 0 HA GLU A 153 -1.878 -1.132 8.766 1.00 0.00 H new ATOM 0 HB2 GLU A 153 -2.090 1.821 9.254 1.00 0.00 H new ATOM 0 HB3 GLU A 153 -3.525 0.854 9.532 1.00 0.00 H new ATOM 0 HG2 GLU A 153 -2.731 0.305 11.548 1.00 0.00 H new ATOM 0 HG3 GLU A 153 -1.425 -0.569 10.774 1.00 0.00 H new ATOM 397 N ILE A 154 -4.070 -1.096 7.494 1.00 0.00 N ATOM 398 CA ILE A 154 -5.173 -1.257 6.555 1.00 0.00 C ATOM 399 C ILE A 154 -6.514 -1.274 7.282 1.00 0.00 C ATOM 400 O ILE A 154 -6.659 -1.915 8.324 1.00 0.00 O ATOM 401 CB ILE A 154 -5.030 -2.555 5.736 1.00 0.00 C ATOM 402 CG1 ILE A 154 -3.629 -2.652 5.130 1.00 0.00 C ATOM 403 CG2 ILE A 154 -6.089 -2.613 4.644 1.00 0.00 C ATOM 404 CD1 ILE A 154 -3.210 -4.069 4.801 1.00 0.00 C ATOM 0 H ILE A 154 -4.103 -1.728 8.294 1.00 0.00 H new ATOM 0 HA ILE A 154 -5.139 -0.404 5.878 1.00 0.00 H new ATOM 0 HB ILE A 154 -5.176 -3.404 6.404 1.00 0.00 H new ATOM 0 HG12 ILE A 154 -3.592 -2.051 4.222 1.00 0.00 H new ATOM 0 HG13 ILE A 154 -2.910 -2.221 5.827 1.00 0.00 H new ATOM 0 HG21 ILE A 154 -5.974 -3.535 4.075 1.00 0.00 H new ATOM 0 HG22 ILE A 154 -7.080 -2.587 5.097 1.00 0.00 H new ATOM 0 HG23 ILE A 154 -5.972 -1.758 3.978 1.00 0.00 H new ATOM 0 HD11 ILE A 154 -2.207 -4.062 4.375 1.00 0.00 H new ATOM 0 HD12 ILE A 154 -3.214 -4.670 5.710 1.00 0.00 H new ATOM 0 HD13 ILE A 154 -3.907 -4.497 4.080 1.00 0.00 H new ATOM 416 N ASN A 155 -7.492 -0.568 6.724 1.00 0.00 N ATOM 417 CA ASN A 155 -8.822 -0.502 7.318 1.00 0.00 C ATOM 418 C ASN A 155 -9.893 -0.860 6.289 1.00 0.00 C ATOM 419 O ASN A 155 -10.457 0.018 5.637 1.00 0.00 O ATOM 420 CB ASN A 155 -9.083 0.898 7.879 1.00 0.00 C ATOM 421 CG ASN A 155 -9.758 0.860 9.238 1.00 0.00 C ATOM 422 OD1 ASN A 155 -10.245 -0.184 9.671 1.00 0.00 O ATOM 423 ND2 ASN A 155 -9.789 2.002 9.914 1.00 0.00 N ATOM 0 H ASN A 155 -7.388 -0.034 5.861 1.00 0.00 H new ATOM 0 HA ASN A 155 -8.868 -1.226 8.132 1.00 0.00 H new ATOM 0 HB2 ASN A 155 -8.138 1.436 7.960 1.00 0.00 H new ATOM 0 HB3 ASN A 155 -9.708 1.455 7.181 1.00 0.00 H new ATOM 0 HD21 ASN A 155 -10.230 2.039 10.833 1.00 0.00 H new ATOM 0 HD22 ASN A 155 -9.372 2.843 9.514 1.00 0.00 H new ATOM 430 N PRO A 156 -10.186 -2.163 6.131 1.00 0.00 N ATOM 431 CA PRO A 156 -11.194 -2.634 5.176 1.00 0.00 C ATOM 432 C PRO A 156 -12.613 -2.282 5.609 1.00 0.00 C ATOM 433 O PRO A 156 -13.462 -1.951 4.782 1.00 0.00 O ATOM 434 CB PRO A 156 -10.997 -4.151 5.170 1.00 0.00 C ATOM 435 CG PRO A 156 -10.412 -4.461 6.504 1.00 0.00 C ATOM 436 CD PRO A 156 -9.560 -3.276 6.868 1.00 0.00 C ATOM 0 HA PRO A 156 -11.074 -2.172 4.196 1.00 0.00 H new ATOM 0 HB2 PRO A 156 -11.942 -4.673 5.021 1.00 0.00 H new ATOM 0 HB3 PRO A 156 -10.332 -4.461 4.364 1.00 0.00 H new ATOM 0 HG2 PRO A 156 -11.195 -4.622 7.246 1.00 0.00 H new ATOM 0 HG3 PRO A 156 -9.816 -5.373 6.467 1.00 0.00 H new ATOM 0 HD2 PRO A 156 -9.561 -3.096 7.943 1.00 0.00 H new ATOM 0 HD3 PRO A 156 -8.522 -3.421 6.570 1.00 0.00 H new ATOM 444 N GLU A 157 -12.864 -2.357 6.912 1.00 0.00 N ATOM 445 CA GLU A 157 -14.180 -2.047 7.457 1.00 0.00 C ATOM 446 C GLU A 157 -14.578 -0.610 7.132 1.00 0.00 C ATOM 447 O GLU A 157 -15.719 -0.342 6.758 1.00 0.00 O ATOM 448 CB GLU A 157 -14.193 -2.262 8.972 1.00 0.00 C ATOM 449 CG GLU A 157 -15.589 -2.295 9.569 1.00 0.00 C ATOM 450 CD GLU A 157 -16.203 -3.682 9.544 1.00 0.00 C ATOM 451 OE1 GLU A 157 -15.809 -4.520 10.381 1.00 0.00 O ATOM 452 OE2 GLU A 157 -17.077 -3.929 8.686 1.00 0.00 O ATOM 0 H GLU A 157 -12.172 -2.630 7.610 1.00 0.00 H new ATOM 0 HA GLU A 157 -14.904 -2.719 6.996 1.00 0.00 H new ATOM 0 HB2 GLU A 157 -13.686 -3.199 9.202 1.00 0.00 H new ATOM 0 HB3 GLU A 157 -13.622 -1.465 9.449 1.00 0.00 H new ATOM 0 HG2 GLU A 157 -15.548 -1.939 10.598 1.00 0.00 H new ATOM 0 HG3 GLU A 157 -16.232 -1.608 9.019 1.00 0.00 H new ATOM 459 N ARG A 158 -13.629 0.310 7.276 1.00 0.00 N ATOM 460 CA ARG A 158 -13.880 1.718 6.997 1.00 0.00 C ATOM 461 C ARG A 158 -13.640 2.030 5.523 1.00 0.00 C ATOM 462 O ARG A 158 -14.373 2.811 4.916 1.00 0.00 O ATOM 463 CB ARG A 158 -12.989 2.601 7.874 1.00 0.00 C ATOM 464 CG ARG A 158 -13.767 3.512 8.810 1.00 0.00 C ATOM 465 CD ARG A 158 -14.458 4.632 8.048 1.00 0.00 C ATOM 466 NE ARG A 158 -15.778 4.933 8.595 1.00 0.00 N ATOM 467 CZ ARG A 158 -15.979 5.644 9.702 1.00 0.00 C ATOM 468 NH1 ARG A 158 -14.949 6.129 10.384 1.00 0.00 N ATOM 469 NH2 ARG A 158 -17.214 5.872 10.129 1.00 0.00 N ATOM 0 H ARG A 158 -12.679 0.104 7.585 1.00 0.00 H new ATOM 0 HA ARG A 158 -14.924 1.930 7.228 1.00 0.00 H new ATOM 0 HB2 ARG A 158 -12.330 1.965 8.465 1.00 0.00 H new ATOM 0 HB3 ARG A 158 -12.353 3.211 7.233 1.00 0.00 H new ATOM 0 HG2 ARG A 158 -14.509 2.928 9.354 1.00 0.00 H new ATOM 0 HG3 ARG A 158 -13.091 3.938 9.551 1.00 0.00 H new ATOM 0 HD2 ARG A 158 -13.839 5.529 8.081 1.00 0.00 H new ATOM 0 HD3 ARG A 158 -14.556 4.351 7.000 1.00 0.00 H new ATOM 0 HE ARG A 158 -16.595 4.577 8.099 1.00 0.00 H new ATOM 0 HH11 ARG A 158 -13.997 5.958 10.060 1.00 0.00 H new ATOM 0 HH12 ARG A 158 -15.109 6.673 11.232 1.00 0.00 H new ATOM 0 HH21 ARG A 158 -18.010 5.502 9.609 1.00 0.00 H new ATOM 0 HH22 ARG A 158 -17.368 6.417 10.977 1.00 0.00 H new ATOM 483 N GLY A 159 -12.608 1.413 4.954 1.00 0.00 N ATOM 484 CA GLY A 159 -12.290 1.638 3.557 1.00 0.00 C ATOM 485 C GLY A 159 -11.197 2.670 3.367 1.00 0.00 C ATOM 486 O GLY A 159 -11.293 3.534 2.497 1.00 0.00 O ATOM 0 H GLY A 159 -11.988 0.762 5.436 1.00 0.00 H new ATOM 0 HA2 GLY A 159 -11.979 0.697 3.103 1.00 0.00 H new ATOM 0 HA3 GLY A 159 -13.188 1.964 3.032 1.00 0.00 H new ATOM 490 N LYS A 160 -10.153 2.580 4.185 1.00 0.00 N ATOM 491 CA LYS A 160 -9.035 3.515 4.104 1.00 0.00 C ATOM 492 C LYS A 160 -7.706 2.789 4.281 1.00 0.00 C ATOM 493 O LYS A 160 -7.656 1.688 4.830 1.00 0.00 O ATOM 494 CB LYS A 160 -9.180 4.608 5.163 1.00 0.00 C ATOM 495 CG LYS A 160 -10.405 5.487 4.968 1.00 0.00 C ATOM 496 CD LYS A 160 -11.064 5.831 6.293 1.00 0.00 C ATOM 497 CE LYS A 160 -11.919 7.084 6.182 1.00 0.00 C ATOM 498 NZ LYS A 160 -11.113 8.323 6.356 1.00 0.00 N ATOM 0 H LYS A 160 -10.057 1.870 4.911 1.00 0.00 H new ATOM 0 HA LYS A 160 -9.047 3.974 3.116 1.00 0.00 H new ATOM 0 HB2 LYS A 160 -9.230 4.143 6.148 1.00 0.00 H new ATOM 0 HB3 LYS A 160 -8.288 5.235 5.151 1.00 0.00 H new ATOM 0 HG2 LYS A 160 -10.117 6.405 4.455 1.00 0.00 H new ATOM 0 HG3 LYS A 160 -11.122 4.975 4.326 1.00 0.00 H new ATOM 0 HD2 LYS A 160 -11.682 4.995 6.621 1.00 0.00 H new ATOM 0 HD3 LYS A 160 -10.298 5.978 7.054 1.00 0.00 H new ATOM 0 HE2 LYS A 160 -12.410 7.104 5.209 1.00 0.00 H new ATOM 0 HE3 LYS A 160 -12.706 7.054 6.935 1.00 0.00 H new ATOM 0 HZ1 LYS A 160 -11.732 9.154 6.273 1.00 0.00 H new ATOM 0 HZ2 LYS A 160 -10.665 8.317 7.295 1.00 0.00 H new ATOM 0 HZ3 LYS A 160 -10.378 8.365 5.622 1.00 0.00 H new ATOM 512 N VAL A 161 -6.630 3.413 3.814 1.00 0.00 N ATOM 513 CA VAL A 161 -5.299 2.826 3.921 1.00 0.00 C ATOM 514 C VAL A 161 -4.302 3.832 4.484 1.00 0.00 C ATOM 515 O VAL A 161 -4.514 5.041 4.407 1.00 0.00 O ATOM 516 CB VAL A 161 -4.787 2.329 2.555 1.00 0.00 C ATOM 517 CG1 VAL A 161 -3.576 1.429 2.737 1.00 0.00 C ATOM 518 CG2 VAL A 161 -5.889 1.606 1.798 1.00 0.00 C ATOM 0 H VAL A 161 -6.653 4.325 3.358 1.00 0.00 H new ATOM 0 HA VAL A 161 -5.384 1.977 4.599 1.00 0.00 H new ATOM 0 HB VAL A 161 -4.485 3.194 1.965 1.00 0.00 H new ATOM 0 HG11 VAL A 161 -3.227 1.087 1.763 1.00 0.00 H new ATOM 0 HG12 VAL A 161 -2.780 1.985 3.232 1.00 0.00 H new ATOM 0 HG13 VAL A 161 -3.851 0.568 3.347 1.00 0.00 H new ATOM 0 HG21 VAL A 161 -5.506 1.264 0.837 1.00 0.00 H new ATOM 0 HG22 VAL A 161 -6.228 0.749 2.380 1.00 0.00 H new ATOM 0 HG23 VAL A 161 -6.725 2.286 1.634 1.00 0.00 H new ATOM 528 N LYS A 162 -3.213 3.325 5.052 1.00 0.00 N ATOM 529 CA LYS A 162 -2.184 4.183 5.628 1.00 0.00 C ATOM 530 C LYS A 162 -0.831 3.924 4.976 1.00 0.00 C ATOM 531 O LYS A 162 -0.209 2.886 5.200 1.00 0.00 O ATOM 532 CB LYS A 162 -2.086 3.957 7.137 1.00 0.00 C ATOM 533 CG LYS A 162 -1.210 4.974 7.846 1.00 0.00 C ATOM 534 CD LYS A 162 -1.063 4.652 9.325 1.00 0.00 C ATOM 535 CE LYS A 162 -1.210 5.898 10.185 1.00 0.00 C ATOM 536 NZ LYS A 162 -0.149 6.902 9.892 1.00 0.00 N ATOM 0 H LYS A 162 -3.020 2.326 5.126 1.00 0.00 H new ATOM 0 HA LYS A 162 -2.466 5.219 5.440 1.00 0.00 H new ATOM 0 HB2 LYS A 162 -3.087 3.989 7.567 1.00 0.00 H new ATOM 0 HB3 LYS A 162 -1.692 2.958 7.322 1.00 0.00 H new ATOM 0 HG2 LYS A 162 -0.226 4.996 7.378 1.00 0.00 H new ATOM 0 HG3 LYS A 162 -1.640 5.969 7.731 1.00 0.00 H new ATOM 0 HD2 LYS A 162 -1.815 3.918 9.615 1.00 0.00 H new ATOM 0 HD3 LYS A 162 -0.088 4.198 9.504 1.00 0.00 H new ATOM 0 HE2 LYS A 162 -2.190 6.344 10.014 1.00 0.00 H new ATOM 0 HE3 LYS A 162 -1.166 5.620 11.238 1.00 0.00 H new ATOM 0 HZ1 LYS A 162 -0.243 7.707 10.544 1.00 0.00 H new ATOM 0 HZ2 LYS A 162 0.786 6.464 10.014 1.00 0.00 H new ATOM 0 HZ3 LYS A 162 -0.249 7.237 8.913 1.00 0.00 H new ATOM 550 N VAL A 163 -0.380 4.877 4.166 1.00 0.00 N ATOM 551 CA VAL A 163 0.901 4.753 3.480 1.00 0.00 C ATOM 552 C VAL A 163 1.818 5.928 3.804 1.00 0.00 C ATOM 553 O VAL A 163 1.358 7.053 3.999 1.00 0.00 O ATOM 554 CB VAL A 163 0.715 4.673 1.954 1.00 0.00 C ATOM 555 CG1 VAL A 163 -0.022 3.398 1.570 1.00 0.00 C ATOM 556 CG2 VAL A 163 -0.021 5.901 1.441 1.00 0.00 C ATOM 0 H VAL A 163 -0.882 5.743 3.969 1.00 0.00 H new ATOM 0 HA VAL A 163 1.359 3.829 3.835 1.00 0.00 H new ATOM 0 HB VAL A 163 1.700 4.648 1.487 1.00 0.00 H new ATOM 0 HG11 VAL A 163 -0.144 3.360 0.487 1.00 0.00 H new ATOM 0 HG12 VAL A 163 0.552 2.532 1.901 1.00 0.00 H new ATOM 0 HG13 VAL A 163 -1.003 3.387 2.046 1.00 0.00 H new ATOM 0 HG21 VAL A 163 -0.143 5.827 0.360 1.00 0.00 H new ATOM 0 HG22 VAL A 163 -1.001 5.962 1.914 1.00 0.00 H new ATOM 0 HG23 VAL A 163 0.553 6.796 1.681 1.00 0.00 H new ATOM 566 N MET A 164 3.118 5.658 3.857 1.00 0.00 N ATOM 567 CA MET A 164 4.104 6.692 4.155 1.00 0.00 C ATOM 568 C MET A 164 4.755 7.203 2.871 1.00 0.00 C ATOM 569 O MET A 164 5.318 6.428 2.099 1.00 0.00 O ATOM 570 CB MET A 164 5.172 6.151 5.111 1.00 0.00 C ATOM 571 CG MET A 164 6.172 5.214 4.454 1.00 0.00 C ATOM 572 SD MET A 164 7.287 4.443 5.643 1.00 0.00 S ATOM 573 CE MET A 164 6.114 3.677 6.758 1.00 0.00 C ATOM 0 H MET A 164 3.514 4.732 3.697 1.00 0.00 H new ATOM 0 HA MET A 164 3.591 7.525 4.637 1.00 0.00 H new ATOM 0 HB2 MET A 164 5.711 6.991 5.550 1.00 0.00 H new ATOM 0 HB3 MET A 164 4.680 5.625 5.929 1.00 0.00 H new ATOM 0 HG2 MET A 164 5.634 4.438 3.910 1.00 0.00 H new ATOM 0 HG3 MET A 164 6.757 5.769 3.721 1.00 0.00 H new ATOM 0 HE1 MET A 164 6.528 2.742 7.136 1.00 0.00 H new ATOM 0 HE2 MET A 164 5.913 4.349 7.593 1.00 0.00 H new ATOM 0 HE3 MET A 164 5.185 3.473 6.225 1.00 0.00 H new ATOM 583 N VAL A 165 4.670 8.511 2.647 1.00 0.00 N ATOM 584 CA VAL A 165 5.249 9.121 1.456 1.00 0.00 C ATOM 585 C VAL A 165 6.381 10.076 1.817 1.00 0.00 C ATOM 586 O VAL A 165 6.456 10.568 2.944 1.00 0.00 O ATOM 587 CB VAL A 165 4.187 9.886 0.646 1.00 0.00 C ATOM 588 CG1 VAL A 165 3.196 8.919 0.016 1.00 0.00 C ATOM 589 CG2 VAL A 165 3.471 10.897 1.526 1.00 0.00 C ATOM 0 H VAL A 165 4.206 9.168 3.274 1.00 0.00 H new ATOM 0 HA VAL A 165 5.646 8.308 0.848 1.00 0.00 H new ATOM 0 HB VAL A 165 4.689 10.428 -0.156 1.00 0.00 H new ATOM 0 HG11 VAL A 165 2.453 9.478 -0.552 1.00 0.00 H new ATOM 0 HG12 VAL A 165 3.726 8.238 -0.650 1.00 0.00 H new ATOM 0 HG13 VAL A 165 2.698 8.347 0.799 1.00 0.00 H new ATOM 0 HG21 VAL A 165 2.724 11.428 0.936 1.00 0.00 H new ATOM 0 HG22 VAL A 165 2.981 10.379 2.351 1.00 0.00 H new ATOM 0 HG23 VAL A 165 4.194 11.610 1.923 1.00 0.00 H new ATOM 599 N THR A 166 7.259 10.335 0.853 1.00 0.00 N ATOM 600 CA THR A 166 8.389 11.232 1.066 1.00 0.00 C ATOM 601 C THR A 166 8.585 12.149 -0.136 1.00 0.00 C ATOM 602 O THR A 166 8.718 11.684 -1.268 1.00 0.00 O ATOM 603 CB THR A 166 9.664 10.430 1.324 1.00 0.00 C ATOM 604 OG1 THR A 166 9.370 9.232 2.022 1.00 0.00 O ATOM 605 CG2 THR A 166 10.696 11.189 2.131 1.00 0.00 C ATOM 0 H THR A 166 7.209 9.936 -0.084 1.00 0.00 H new ATOM 0 HA THR A 166 8.174 11.847 1.940 1.00 0.00 H new ATOM 0 HB THR A 166 10.079 10.222 0.338 1.00 0.00 H new ATOM 0 HG1 THR A 166 10.198 8.732 2.176 1.00 0.00 H new ATOM 0 HG21 THR A 166 11.576 10.562 2.278 1.00 0.00 H new ATOM 0 HG22 THR A 166 10.981 12.095 1.597 1.00 0.00 H new ATOM 0 HG23 THR A 166 10.275 11.457 3.100 1.00 0.00 H new ATOM 613 N ILE A 167 8.605 13.453 0.116 1.00 0.00 N ATOM 614 CA ILE A 167 8.785 14.436 -0.947 1.00 0.00 C ATOM 615 C ILE A 167 9.876 15.439 -0.589 1.00 0.00 C ATOM 616 O ILE A 167 10.063 15.778 0.578 1.00 0.00 O ATOM 617 CB ILE A 167 7.477 15.200 -1.241 1.00 0.00 C ATOM 618 CG1 ILE A 167 6.712 15.477 0.056 1.00 0.00 C ATOM 619 CG2 ILE A 167 6.612 14.416 -2.217 1.00 0.00 C ATOM 620 CD1 ILE A 167 7.428 16.427 0.991 1.00 0.00 C ATOM 0 H ILE A 167 8.499 13.855 1.048 1.00 0.00 H new ATOM 0 HA ILE A 167 9.080 13.883 -1.839 1.00 0.00 H new ATOM 0 HB ILE A 167 7.731 16.156 -1.698 1.00 0.00 H new ATOM 0 HG12 ILE A 167 5.734 15.891 -0.190 1.00 0.00 H new ATOM 0 HG13 ILE A 167 6.538 14.534 0.574 1.00 0.00 H new ATOM 0 HG21 ILE A 167 5.693 14.969 -2.414 1.00 0.00 H new ATOM 0 HG22 ILE A 167 7.156 14.272 -3.151 1.00 0.00 H new ATOM 0 HG23 ILE A 167 6.366 13.445 -1.787 1.00 0.00 H new ATOM 0 HD11 ILE A 167 6.827 16.576 1.888 1.00 0.00 H new ATOM 0 HD12 ILE A 167 8.395 16.006 1.267 1.00 0.00 H new ATOM 0 HD13 ILE A 167 7.579 17.384 0.492 1.00 0.00 H new ATOM 632 N PHE A 168 10.594 15.910 -1.606 1.00 0.00 N ATOM 633 CA PHE A 168 11.670 16.876 -1.406 1.00 0.00 C ATOM 634 C PHE A 168 12.784 16.283 -0.547 1.00 0.00 C ATOM 635 O PHE A 168 13.813 15.848 -1.065 1.00 0.00 O ATOM 636 CB PHE A 168 11.128 18.152 -0.759 1.00 0.00 C ATOM 637 CG PHE A 168 10.540 19.122 -1.745 1.00 0.00 C ATOM 638 CD1 PHE A 168 11.340 19.731 -2.698 1.00 0.00 C ATOM 639 CD2 PHE A 168 9.188 19.425 -1.717 1.00 0.00 C ATOM 640 CE1 PHE A 168 10.803 20.624 -3.606 1.00 0.00 C ATOM 641 CE2 PHE A 168 8.646 20.318 -2.621 1.00 0.00 C ATOM 642 CZ PHE A 168 9.454 20.918 -3.567 1.00 0.00 C ATOM 0 H PHE A 168 10.449 15.637 -2.578 1.00 0.00 H new ATOM 0 HA PHE A 168 12.086 17.125 -2.382 1.00 0.00 H new ATOM 0 HB2 PHE A 168 10.366 17.883 -0.027 1.00 0.00 H new ATOM 0 HB3 PHE A 168 11.934 18.644 -0.214 1.00 0.00 H new ATOM 0 HD1 PHE A 168 12.396 19.505 -2.732 1.00 0.00 H new ATOM 0 HD2 PHE A 168 8.551 18.958 -0.980 1.00 0.00 H new ATOM 0 HE1 PHE A 168 11.437 21.091 -4.345 1.00 0.00 H new ATOM 0 HE2 PHE A 168 7.591 20.547 -2.588 1.00 0.00 H new ATOM 0 HZ PHE A 168 9.032 21.616 -4.275 1.00 0.00 H new ATOM 652 N GLY A 169 12.574 16.270 0.765 1.00 0.00 N ATOM 653 CA GLY A 169 13.570 15.730 1.670 1.00 0.00 C ATOM 654 C GLY A 169 13.031 15.533 3.073 1.00 0.00 C ATOM 655 O GLY A 169 13.747 15.733 4.056 1.00 0.00 O ATOM 0 H GLY A 169 11.731 16.624 1.217 1.00 0.00 H new ATOM 0 HA2 GLY A 169 13.928 14.776 1.284 1.00 0.00 H new ATOM 0 HA3 GLY A 169 14.428 16.402 1.704 1.00 0.00 H new ATOM 659 N ARG A 170 11.765 15.139 3.168 1.00 0.00 N ATOM 660 CA ARG A 170 11.130 14.914 4.461 1.00 0.00 C ATOM 661 C ARG A 170 10.002 13.895 4.344 1.00 0.00 C ATOM 662 O ARG A 170 9.170 13.977 3.438 1.00 0.00 O ATOM 663 CB ARG A 170 10.585 16.231 5.021 1.00 0.00 C ATOM 664 CG ARG A 170 11.579 16.979 5.894 1.00 0.00 C ATOM 665 CD ARG A 170 11.816 16.259 7.210 1.00 0.00 C ATOM 666 NE ARG A 170 12.277 17.167 8.259 1.00 0.00 N ATOM 667 CZ ARG A 170 11.472 17.974 8.945 1.00 0.00 C ATOM 668 NH1 ARG A 170 10.168 17.990 8.698 1.00 0.00 N ATOM 669 NH2 ARG A 170 11.972 18.768 9.882 1.00 0.00 N ATOM 0 H ARG A 170 11.159 14.969 2.365 1.00 0.00 H new ATOM 0 HA ARG A 170 11.883 14.519 5.143 1.00 0.00 H new ATOM 0 HB2 ARG A 170 10.287 16.873 4.192 1.00 0.00 H new ATOM 0 HB3 ARG A 170 9.687 16.025 5.603 1.00 0.00 H new ATOM 0 HG2 ARG A 170 12.524 17.086 5.361 1.00 0.00 H new ATOM 0 HG3 ARG A 170 11.208 17.985 6.090 1.00 0.00 H new ATOM 0 HD2 ARG A 170 10.893 15.776 7.530 1.00 0.00 H new ATOM 0 HD3 ARG A 170 12.554 15.471 7.063 1.00 0.00 H new ATOM 0 HE ARG A 170 13.273 17.183 8.477 1.00 0.00 H new ATOM 0 HH11 ARG A 170 9.778 17.381 7.979 1.00 0.00 H new ATOM 0 HH12 ARG A 170 9.556 18.611 9.228 1.00 0.00 H new ATOM 0 HH21 ARG A 170 12.973 18.760 10.076 1.00 0.00 H new ATOM 0 HH22 ARG A 170 11.355 19.387 10.408 1.00 0.00 H new ATOM 683 N GLU A 171 9.978 12.936 5.262 1.00 0.00 N ATOM 684 CA GLU A 171 8.950 11.902 5.260 1.00 0.00 C ATOM 685 C GLU A 171 7.663 12.417 5.901 1.00 0.00 C ATOM 686 O GLU A 171 7.699 13.100 6.922 1.00 0.00 O ATOM 687 CB GLU A 171 9.445 10.659 6.003 1.00 0.00 C ATOM 688 CG GLU A 171 9.139 9.358 5.282 1.00 0.00 C ATOM 689 CD GLU A 171 10.242 8.330 5.440 1.00 0.00 C ATOM 690 OE1 GLU A 171 11.396 8.635 5.070 1.00 0.00 O ATOM 691 OE2 GLU A 171 9.953 7.220 5.936 1.00 0.00 O ATOM 0 H GLU A 171 10.659 12.853 6.017 1.00 0.00 H new ATOM 0 HA GLU A 171 8.738 11.635 4.225 1.00 0.00 H new ATOM 0 HB2 GLU A 171 10.522 10.739 6.150 1.00 0.00 H new ATOM 0 HB3 GLU A 171 8.989 10.632 6.993 1.00 0.00 H new ATOM 0 HG2 GLU A 171 8.206 8.946 5.665 1.00 0.00 H new ATOM 0 HG3 GLU A 171 8.986 9.562 4.222 1.00 0.00 H new ATOM 698 N THR A 172 6.531 12.086 5.290 1.00 0.00 N ATOM 699 CA THR A 172 5.235 12.518 5.801 1.00 0.00 C ATOM 700 C THR A 172 4.186 11.419 5.637 1.00 0.00 C ATOM 701 O THR A 172 3.680 11.195 4.538 1.00 0.00 O ATOM 702 CB THR A 172 4.778 13.785 5.077 1.00 0.00 C ATOM 703 OG1 THR A 172 5.833 14.728 5.003 1.00 0.00 O ATOM 704 CG2 THR A 172 3.601 14.465 5.744 1.00 0.00 C ATOM 0 H THR A 172 6.484 11.521 4.442 1.00 0.00 H new ATOM 0 HA THR A 172 5.346 12.731 6.864 1.00 0.00 H new ATOM 0 HB THR A 172 4.471 13.455 4.084 1.00 0.00 H new ATOM 0 HG1 THR A 172 5.522 15.531 4.535 1.00 0.00 H new ATOM 0 HG21 THR A 172 3.328 15.357 5.179 1.00 0.00 H new ATOM 0 HG22 THR A 172 2.754 13.780 5.773 1.00 0.00 H new ATOM 0 HG23 THR A 172 3.873 14.749 6.761 1.00 0.00 H new ATOM 712 N PRO A 173 3.840 10.717 6.732 1.00 0.00 N ATOM 713 CA PRO A 173 2.842 9.643 6.696 1.00 0.00 C ATOM 714 C PRO A 173 1.427 10.179 6.522 1.00 0.00 C ATOM 715 O PRO A 173 0.903 10.870 7.396 1.00 0.00 O ATOM 716 CB PRO A 173 2.996 8.970 8.060 1.00 0.00 C ATOM 717 CG PRO A 173 3.517 10.044 8.952 1.00 0.00 C ATOM 718 CD PRO A 173 4.388 10.914 8.089 1.00 0.00 C ATOM 0 HA PRO A 173 2.997 8.968 5.855 1.00 0.00 H new ATOM 0 HB2 PRO A 173 2.043 8.582 8.421 1.00 0.00 H new ATOM 0 HB3 PRO A 173 3.685 8.127 8.011 1.00 0.00 H new ATOM 0 HG2 PRO A 173 2.700 10.620 9.388 1.00 0.00 H new ATOM 0 HG3 PRO A 173 4.086 9.621 9.780 1.00 0.00 H new ATOM 0 HD2 PRO A 173 4.338 11.959 8.394 1.00 0.00 H new ATOM 0 HD3 PRO A 173 5.435 10.615 8.146 1.00 0.00 H new ATOM 726 N VAL A 174 0.811 9.862 5.387 1.00 0.00 N ATOM 727 CA VAL A 174 -0.544 10.316 5.101 1.00 0.00 C ATOM 728 C VAL A 174 -1.462 9.147 4.765 1.00 0.00 C ATOM 729 O VAL A 174 -1.038 8.170 4.146 1.00 0.00 O ATOM 730 CB VAL A 174 -0.563 11.320 3.933 1.00 0.00 C ATOM 731 CG1 VAL A 174 -1.944 11.936 3.780 1.00 0.00 C ATOM 732 CG2 VAL A 174 0.490 12.399 4.139 1.00 0.00 C ATOM 0 H VAL A 174 1.229 9.293 4.651 1.00 0.00 H new ATOM 0 HA VAL A 174 -0.907 10.808 6.003 1.00 0.00 H new ATOM 0 HB VAL A 174 -0.326 10.784 3.014 1.00 0.00 H new ATOM 0 HG11 VAL A 174 -1.937 12.642 2.950 1.00 0.00 H new ATOM 0 HG12 VAL A 174 -2.673 11.150 3.582 1.00 0.00 H new ATOM 0 HG13 VAL A 174 -2.213 12.458 4.698 1.00 0.00 H new ATOM 0 HG21 VAL A 174 0.462 13.099 3.304 1.00 0.00 H new ATOM 0 HG22 VAL A 174 0.287 12.933 5.067 1.00 0.00 H new ATOM 0 HG23 VAL A 174 1.477 11.939 4.193 1.00 0.00 H new ATOM 742 N GLU A 175 -2.720 9.253 5.176 1.00 0.00 N ATOM 743 CA GLU A 175 -3.701 8.205 4.918 1.00 0.00 C ATOM 744 C GLU A 175 -4.235 8.306 3.491 1.00 0.00 C ATOM 745 O GLU A 175 -4.528 9.399 3.005 1.00 0.00 O ATOM 746 CB GLU A 175 -4.851 8.300 5.923 1.00 0.00 C ATOM 747 CG GLU A 175 -5.975 7.304 5.668 1.00 0.00 C ATOM 748 CD GLU A 175 -6.062 6.235 6.740 1.00 0.00 C ATOM 749 OE1 GLU A 175 -6.194 6.595 7.929 1.00 0.00 O ATOM 750 OE2 GLU A 175 -5.999 5.038 6.390 1.00 0.00 O ATOM 0 H GLU A 175 -3.085 10.055 5.690 1.00 0.00 H new ATOM 0 HA GLU A 175 -3.211 7.238 5.033 1.00 0.00 H new ATOM 0 HB2 GLU A 175 -4.458 8.140 6.927 1.00 0.00 H new ATOM 0 HB3 GLU A 175 -5.260 9.310 5.898 1.00 0.00 H new ATOM 0 HG2 GLU A 175 -6.924 7.838 5.615 1.00 0.00 H new ATOM 0 HG3 GLU A 175 -5.822 6.830 4.699 1.00 0.00 H new ATOM 757 N LEU A 176 -4.351 7.163 2.826 1.00 0.00 N ATOM 758 CA LEU A 176 -4.845 7.122 1.455 1.00 0.00 C ATOM 759 C LEU A 176 -5.894 6.042 1.279 1.00 0.00 C ATOM 760 O LEU A 176 -6.372 5.456 2.251 1.00 0.00 O ATOM 761 CB LEU A 176 -3.701 6.835 0.483 1.00 0.00 C ATOM 762 CG LEU A 176 -3.175 8.049 -0.288 1.00 0.00 C ATOM 763 CD1 LEU A 176 -2.171 7.615 -1.346 1.00 0.00 C ATOM 764 CD2 LEU A 176 -4.322 8.819 -0.927 1.00 0.00 C ATOM 0 H LEU A 176 -4.109 6.251 3.214 1.00 0.00 H new ATOM 0 HA LEU A 176 -5.287 8.096 1.245 1.00 0.00 H new ATOM 0 HB2 LEU A 176 -2.875 6.394 1.041 1.00 0.00 H new ATOM 0 HB3 LEU A 176 -4.036 6.087 -0.235 1.00 0.00 H new ATOM 0 HG LEU A 176 -2.670 8.709 0.418 1.00 0.00 H new ATOM 0 HD11 LEU A 176 -1.808 8.491 -1.884 1.00 0.00 H new ATOM 0 HD12 LEU A 176 -1.332 7.110 -0.866 1.00 0.00 H new ATOM 0 HD13 LEU A 176 -2.653 6.933 -2.047 1.00 0.00 H new ATOM 0 HD21 LEU A 176 -3.926 9.677 -1.470 1.00 0.00 H new ATOM 0 HD22 LEU A 176 -4.857 8.168 -1.618 1.00 0.00 H new ATOM 0 HD23 LEU A 176 -5.005 9.164 -0.151 1.00 0.00 H new ATOM 776 N ASP A 177 -6.221 5.763 0.025 1.00 0.00 N ATOM 777 CA ASP A 177 -7.180 4.733 -0.291 1.00 0.00 C ATOM 778 C ASP A 177 -6.761 3.977 -1.546 1.00 0.00 C ATOM 779 O ASP A 177 -6.077 4.518 -2.414 1.00 0.00 O ATOM 780 CB ASP A 177 -8.584 5.319 -0.469 1.00 0.00 C ATOM 781 CG ASP A 177 -8.862 6.470 0.479 1.00 0.00 C ATOM 782 OD1 ASP A 177 -9.307 6.207 1.617 1.00 0.00 O ATOM 783 OD2 ASP A 177 -8.637 7.634 0.084 1.00 0.00 O ATOM 0 H ASP A 177 -5.831 6.241 -0.787 1.00 0.00 H new ATOM 0 HA ASP A 177 -7.207 4.035 0.546 1.00 0.00 H new ATOM 0 HB2 ASP A 177 -8.702 5.663 -1.496 1.00 0.00 H new ATOM 0 HB3 ASP A 177 -9.324 4.535 -0.309 1.00 0.00 H new ATOM 788 N PHE A 178 -7.170 2.718 -1.625 1.00 0.00 N ATOM 789 CA PHE A 178 -6.841 1.861 -2.764 1.00 0.00 C ATOM 790 C PHE A 178 -7.108 2.567 -4.091 1.00 0.00 C ATOM 791 O PHE A 178 -6.347 2.418 -5.047 1.00 0.00 O ATOM 792 CB PHE A 178 -7.646 0.562 -2.696 1.00 0.00 C ATOM 793 CG PHE A 178 -7.620 -0.092 -1.343 1.00 0.00 C ATOM 794 CD1 PHE A 178 -6.418 -0.448 -0.754 1.00 0.00 C ATOM 795 CD2 PHE A 178 -8.798 -0.350 -0.661 1.00 0.00 C ATOM 796 CE1 PHE A 178 -6.392 -1.048 0.492 1.00 0.00 C ATOM 797 CE2 PHE A 178 -8.779 -0.949 0.583 1.00 0.00 C ATOM 798 CZ PHE A 178 -7.573 -1.299 1.161 1.00 0.00 C ATOM 0 H PHE A 178 -7.735 2.261 -0.909 1.00 0.00 H new ATOM 0 HA PHE A 178 -5.777 1.632 -2.711 1.00 0.00 H new ATOM 0 HB2 PHE A 178 -8.680 0.771 -2.970 1.00 0.00 H new ATOM 0 HB3 PHE A 178 -7.255 -0.137 -3.436 1.00 0.00 H new ATOM 0 HD1 PHE A 178 -5.491 -0.255 -1.273 1.00 0.00 H new ATOM 0 HD2 PHE A 178 -9.743 -0.079 -1.108 1.00 0.00 H new ATOM 0 HE1 PHE A 178 -5.448 -1.320 0.941 1.00 0.00 H new ATOM 0 HE2 PHE A 178 -9.705 -1.144 1.104 1.00 0.00 H new ATOM 0 HZ PHE A 178 -7.555 -1.768 2.134 1.00 0.00 H new ATOM 808 N SER A 179 -8.190 3.337 -4.142 1.00 0.00 N ATOM 809 CA SER A 179 -8.553 4.065 -5.354 1.00 0.00 C ATOM 810 C SER A 179 -7.771 5.374 -5.479 1.00 0.00 C ATOM 811 O SER A 179 -8.089 6.215 -6.319 1.00 0.00 O ATOM 812 CB SER A 179 -10.055 4.356 -5.365 1.00 0.00 C ATOM 813 OG SER A 179 -10.769 3.327 -6.026 1.00 0.00 O ATOM 0 H SER A 179 -8.830 3.473 -3.360 1.00 0.00 H new ATOM 0 HA SER A 179 -8.298 3.436 -6.207 1.00 0.00 H new ATOM 0 HB2 SER A 179 -10.417 4.454 -4.342 1.00 0.00 H new ATOM 0 HB3 SER A 179 -10.240 5.308 -5.862 1.00 0.00 H new ATOM 0 HG SER A 179 -11.726 3.536 -6.018 1.00 0.00 H new ATOM 819 N GLN A 180 -6.749 5.541 -4.644 1.00 0.00 N ATOM 820 CA GLN A 180 -5.928 6.744 -4.667 1.00 0.00 C ATOM 821 C GLN A 180 -4.462 6.410 -4.943 1.00 0.00 C ATOM 822 O GLN A 180 -3.607 7.298 -4.937 1.00 0.00 O ATOM 823 CB GLN A 180 -6.050 7.486 -3.333 1.00 0.00 C ATOM 824 CG GLN A 180 -7.149 8.536 -3.316 1.00 0.00 C ATOM 825 CD GLN A 180 -8.478 8.001 -3.814 1.00 0.00 C ATOM 826 OE1 GLN A 180 -9.087 7.135 -3.188 1.00 0.00 O ATOM 827 NE2 GLN A 180 -8.934 8.517 -4.950 1.00 0.00 N ATOM 0 H GLN A 180 -6.471 4.855 -3.942 1.00 0.00 H new ATOM 0 HA GLN A 180 -6.288 7.383 -5.473 1.00 0.00 H new ATOM 0 HB2 GLN A 180 -6.239 6.762 -2.541 1.00 0.00 H new ATOM 0 HB3 GLN A 180 -5.098 7.966 -3.106 1.00 0.00 H new ATOM 0 HG2 GLN A 180 -7.271 8.912 -2.300 1.00 0.00 H new ATOM 0 HG3 GLN A 180 -6.848 9.381 -3.935 1.00 0.00 H new ATOM 0 HE21 GLN A 180 -8.396 9.234 -5.437 1.00 0.00 H new ATOM 0 HE22 GLN A 180 -9.822 8.196 -5.336 1.00 0.00 H new ATOM 836 N VAL A 181 -4.171 5.133 -5.186 1.00 0.00 N ATOM 837 CA VAL A 181 -2.804 4.702 -5.461 1.00 0.00 C ATOM 838 C VAL A 181 -2.774 3.580 -6.493 1.00 0.00 C ATOM 839 O VAL A 181 -3.818 3.117 -6.953 1.00 0.00 O ATOM 840 CB VAL A 181 -2.093 4.222 -4.181 1.00 0.00 C ATOM 841 CG1 VAL A 181 -1.622 5.407 -3.351 1.00 0.00 C ATOM 842 CG2 VAL A 181 -3.006 3.316 -3.368 1.00 0.00 C ATOM 0 H VAL A 181 -4.861 4.382 -5.198 1.00 0.00 H new ATOM 0 HA VAL A 181 -2.278 5.571 -5.856 1.00 0.00 H new ATOM 0 HB VAL A 181 -1.216 3.644 -4.472 1.00 0.00 H new ATOM 0 HG11 VAL A 181 -1.123 5.046 -2.452 1.00 0.00 H new ATOM 0 HG12 VAL A 181 -0.926 6.007 -3.936 1.00 0.00 H new ATOM 0 HG13 VAL A 181 -2.480 6.018 -3.069 1.00 0.00 H new ATOM 0 HG21 VAL A 181 -2.486 2.988 -2.468 1.00 0.00 H new ATOM 0 HG22 VAL A 181 -3.906 3.863 -3.087 1.00 0.00 H new ATOM 0 HG23 VAL A 181 -3.282 2.447 -3.965 1.00 0.00 H new ATOM 852 N VAL A 182 -1.569 3.147 -6.850 1.00 0.00 N ATOM 853 CA VAL A 182 -1.397 2.078 -7.827 1.00 0.00 C ATOM 854 C VAL A 182 -0.222 1.181 -7.458 1.00 0.00 C ATOM 855 O VAL A 182 0.776 1.645 -6.904 1.00 0.00 O ATOM 856 CB VAL A 182 -1.175 2.641 -9.242 1.00 0.00 C ATOM 857 CG1 VAL A 182 -2.422 3.358 -9.734 1.00 0.00 C ATOM 858 CG2 VAL A 182 0.029 3.571 -9.263 1.00 0.00 C ATOM 0 H VAL A 182 -0.696 3.521 -6.477 1.00 0.00 H new ATOM 0 HA VAL A 182 -2.315 1.491 -7.819 1.00 0.00 H new ATOM 0 HB VAL A 182 -0.974 1.809 -9.917 1.00 0.00 H new ATOM 0 HG11 VAL A 182 -2.245 3.749 -10.736 1.00 0.00 H new ATOM 0 HG12 VAL A 182 -3.258 2.659 -9.759 1.00 0.00 H new ATOM 0 HG13 VAL A 182 -2.658 4.181 -9.060 1.00 0.00 H new ATOM 0 HG21 VAL A 182 0.171 3.960 -10.271 1.00 0.00 H new ATOM 0 HG22 VAL A 182 -0.139 4.400 -8.575 1.00 0.00 H new ATOM 0 HG23 VAL A 182 0.919 3.021 -8.958 1.00 0.00 H new ATOM 868 N LYS A 183 -0.343 -0.104 -7.771 1.00 0.00 N ATOM 869 CA LYS A 183 0.710 -1.066 -7.473 1.00 0.00 C ATOM 870 C LYS A 183 1.916 -0.854 -8.383 1.00 0.00 C ATOM 871 O LYS A 183 1.779 -0.789 -9.605 1.00 0.00 O ATOM 872 CB LYS A 183 0.181 -2.495 -7.623 1.00 0.00 C ATOM 873 CG LYS A 183 0.479 -3.381 -6.424 1.00 0.00 C ATOM 874 CD LYS A 183 -0.349 -4.657 -6.455 1.00 0.00 C ATOM 875 CE LYS A 183 0.477 -5.845 -6.917 1.00 0.00 C ATOM 876 NZ LYS A 183 1.555 -6.184 -5.948 1.00 0.00 N ATOM 0 H LYS A 183 -1.161 -0.503 -8.231 1.00 0.00 H new ATOM 0 HA LYS A 183 1.028 -0.912 -6.442 1.00 0.00 H new ATOM 0 HB2 LYS A 183 -0.897 -2.460 -7.780 1.00 0.00 H new ATOM 0 HB3 LYS A 183 0.619 -2.944 -8.514 1.00 0.00 H new ATOM 0 HG2 LYS A 183 1.539 -3.634 -6.412 1.00 0.00 H new ATOM 0 HG3 LYS A 183 0.271 -2.833 -5.505 1.00 0.00 H new ATOM 0 HD2 LYS A 183 -0.750 -4.856 -5.461 1.00 0.00 H new ATOM 0 HD3 LYS A 183 -1.201 -4.523 -7.122 1.00 0.00 H new ATOM 0 HE2 LYS A 183 -0.174 -6.709 -7.052 1.00 0.00 H new ATOM 0 HE3 LYS A 183 0.919 -5.624 -7.889 1.00 0.00 H new ATOM 0 HZ1 LYS A 183 1.810 -7.187 -6.049 1.00 0.00 H new ATOM 0 HZ2 LYS A 183 2.390 -5.594 -6.138 1.00 0.00 H new ATOM 0 HZ3 LYS A 183 1.219 -6.008 -4.980 1.00 0.00 H new ATOM 890 N ALA A 184 3.094 -0.747 -7.779 1.00 0.00 N ATOM 891 CA ALA A 184 4.325 -0.542 -8.535 1.00 0.00 C ATOM 892 C ALA A 184 5.378 -1.579 -8.159 1.00 0.00 C ATOM 893 O ALA A 184 6.427 -1.625 -8.835 1.00 0.00 O ATOM 894 CB ALA A 184 4.858 0.863 -8.300 1.00 0.00 C ATOM 895 OXT ALA A 184 5.145 -2.334 -7.193 1.00 0.00 O ATOM 0 H ALA A 184 3.223 -0.799 -6.769 1.00 0.00 H new ATOM 0 HA ALA A 184 4.098 -0.661 -9.594 1.00 0.00 H new ATOM 0 HB1 ALA A 184 5.777 1.004 -8.869 1.00 0.00 H new ATOM 0 HB2 ALA A 184 4.115 1.593 -8.623 1.00 0.00 H new ATOM 0 HB3 ALA A 184 5.064 1.001 -7.239 1.00 0.00 H new TER 901 ALA A 184