USER MOD reduce.3.24.130724 H: found=0, std=0, add=600, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 593 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 115 CYS SG : rot 141:sc= 1.18! USER MOD Set 1.2: A 118 CYS SG : rot -136:sc= -6.76! USER MOD Set 1.3: A 137 CYS SG : rot -108:sc= -1.44 USER MOD Set 2.1: A 87 CYS SG : rot -114:sc= -0.334 USER MOD Set 2.2: A 90 CYS SG : rot -111:sc= 0.181! USER MOD Set 2.3: A 109 HIS : no HD1:sc= 0.575 K(o=-2.5,f=-4.5) USER MOD Set 2.4: A 112 CYS SG : rot 129:sc= -2.93! USER MOD Set 3.1: A 88 SER OG : rot 87:sc= 0.629 USER MOD Set 3.2: A 104 GLN : amide:sc= 1.53 K(o=5.8,f=-5.2!) USER MOD Set 3.3: A 106 ASN : amide:sc= 1.13 K(o=5.8,f=4.6) USER MOD Set 3.4: A 108 TYR OH : rot -136:sc= 0.888 USER MOD Set 3.5: A 130 TYR OH : rot -140:sc= 1.59 USER MOD Single : A 83 ASN : amide:sc= -0.12 K(o=-0.12,f=-1.3!) USER MOD Single : A 84 SER OG : rot -110:sc= 0.434 USER MOD Single : A 92 GLN : amide:sc= 1.08 K(o=1.1,f=-0.064) USER MOD Single : A 93 SER OG : rot 130:sc= -0.333! USER MOD Single : A 97 SER OG : rot 130:sc= -0.391 USER MOD Single : A 101 MET CE :methyl 157:sc= -0.84 (180deg=-1.85!) USER MOD Single : A 111 LYS NZ :NH3+ -152:sc= 0.925 (180deg=0.13) USER MOD Single : A 114 THR OG1 : rot 71:sc= 1.01 USER MOD Single : A 116 SER OG : rot 73:sc= 0.357 USER MOD Single : A 117 THR OG1 : rot 160:sc= -0.0263 USER MOD Single : A 120 ASN : amide:sc= 1.24 K(o=1.2,f=-4.4!) USER MOD Single : A 129 HIS : no HD1:sc= 0.421 K(o=0.42,f=-4.4!) USER MOD Single : A 132 ASN : amide:sc= -0.258 K(o=-0.26,f=-1.4!) USER MOD Single : A 134 SER OG : rot 77:sc= 0.949 USER MOD Single : A 139 HIS : no HD1:sc= 0 X(o=0,f=-0.016) USER MOD Single : A 143 THR OG1 : rot 180:sc= 0.0621 USER MOD Single : A 208 SER OG : rot 180:sc= 0 USER MOD Single : A 414 THR OG1 : rot -74:sc= 0.556 USER MOD Single : A 415 SER OG : rot 140:sc= 0.231 USER MOD ----------------------------------------------------------------- ATOM 61 N ARG A 79 -14.278 8.107 -0.973 1.00 0.00 N ATOM 62 CA ARG A 79 -13.218 7.219 -1.432 1.00 0.00 C ATOM 63 C ARG A 79 -13.617 5.766 -1.209 1.00 0.00 C ATOM 64 O ARG A 79 -12.772 4.872 -1.200 1.00 0.00 O ATOM 65 CB ARG A 79 -11.907 7.526 -0.704 1.00 0.00 C ATOM 66 CG ARG A 79 -10.793 7.977 -1.633 1.00 0.00 C ATOM 67 CD ARG A 79 -9.483 7.258 -1.337 1.00 0.00 C ATOM 68 NE ARG A 79 -8.697 7.034 -2.550 1.00 0.00 N ATOM 69 CZ ARG A 79 -7.893 7.945 -3.098 1.00 0.00 C ATOM 70 NH1 ARG A 79 -7.740 9.128 -2.523 1.00 0.00 N ATOM 71 NH2 ARG A 79 -7.241 7.674 -4.220 1.00 0.00 N ATOM 0 HA ARG A 79 -13.067 7.383 -2.499 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -12.086 8.302 0.040 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -11.582 6.636 -0.165 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -11.084 7.791 -2.667 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -10.648 9.053 -1.531 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -8.898 7.846 -0.629 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -9.694 6.301 -0.859 1.00 0.00 H new ATOM 0 HE ARG A 79 -8.769 6.124 -3.005 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -8.238 9.343 -1.659 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -7.124 9.824 -2.944 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -7.353 6.765 -4.668 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -6.627 8.375 -4.635 1.00 0.00 H new ATOM 85 N LEU A 80 -14.910 5.538 -1.026 1.00 0.00 N ATOM 86 CA LEU A 80 -15.429 4.203 -0.790 1.00 0.00 C ATOM 87 C LEU A 80 -16.931 4.173 -1.043 1.00 0.00 C ATOM 88 O LEU A 80 -17.590 5.211 -1.002 1.00 0.00 O ATOM 89 CB LEU A 80 -15.134 3.760 0.642 1.00 0.00 C ATOM 90 CG LEU A 80 -14.991 2.250 0.829 1.00 0.00 C ATOM 91 CD1 LEU A 80 -13.698 1.918 1.551 1.00 0.00 C ATOM 92 CD2 LEU A 80 -16.183 1.681 1.580 1.00 0.00 C ATOM 0 H LEU A 80 -15.622 6.268 -1.037 1.00 0.00 H new ATOM 0 HA LEU A 80 -14.938 3.514 -1.477 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -14.214 4.242 0.974 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -15.934 4.118 1.290 1.00 0.00 H new ATOM 0 HG LEU A 80 -14.961 1.790 -0.159 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -13.617 0.838 1.673 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -12.852 2.282 0.968 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -13.695 2.395 2.531 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -16.057 0.605 1.700 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -16.252 2.150 2.561 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -17.096 1.879 1.018 1.00 0.00 H new ATOM 104 N PHE A 81 -17.459 2.984 -1.305 1.00 0.00 N ATOM 105 CA PHE A 81 -18.888 2.799 -1.542 1.00 0.00 C ATOM 106 C PHE A 81 -19.706 3.181 -0.304 1.00 0.00 C ATOM 107 O PHE A 81 -20.499 4.122 -0.337 1.00 0.00 O ATOM 108 CB PHE A 81 -19.157 1.339 -1.927 1.00 0.00 C ATOM 109 CG PHE A 81 -20.594 1.047 -2.275 1.00 0.00 C ATOM 110 CD1 PHE A 81 -21.280 1.838 -3.186 1.00 0.00 C ATOM 111 CD2 PHE A 81 -21.257 -0.021 -1.690 1.00 0.00 C ATOM 112 CE1 PHE A 81 -22.601 1.569 -3.502 1.00 0.00 C ATOM 113 CE2 PHE A 81 -22.576 -0.295 -2.003 1.00 0.00 C ATOM 114 CZ PHE A 81 -23.249 0.501 -2.909 1.00 0.00 C ATOM 0 H PHE A 81 -16.913 2.124 -1.359 1.00 0.00 H new ATOM 0 HA PHE A 81 -19.194 3.453 -2.359 1.00 0.00 H new ATOM 0 HB2 PHE A 81 -18.528 1.078 -2.778 1.00 0.00 H new ATOM 0 HB3 PHE A 81 -18.857 0.696 -1.100 1.00 0.00 H new ATOM 0 HD1 PHE A 81 -20.778 2.672 -3.653 1.00 0.00 H new ATOM 0 HD2 PHE A 81 -20.737 -0.647 -0.981 1.00 0.00 H new ATOM 0 HE1 PHE A 81 -23.125 2.193 -4.211 1.00 0.00 H new ATOM 0 HE2 PHE A 81 -23.079 -1.131 -1.539 1.00 0.00 H new ATOM 0 HZ PHE A 81 -24.279 0.290 -3.154 1.00 0.00 H new ATOM 124 N GLY A 82 -19.506 2.446 0.783 1.00 0.00 N ATOM 125 CA GLY A 82 -20.222 2.730 2.016 1.00 0.00 C ATOM 126 C GLY A 82 -19.408 3.576 2.975 1.00 0.00 C ATOM 127 O GLY A 82 -19.800 3.767 4.124 1.00 0.00 O ATOM 0 H GLY A 82 -18.861 1.658 0.835 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -21.153 3.246 1.782 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -20.490 1.792 2.501 1.00 0.00 H new ATOM 131 N ASN A 83 -18.279 4.084 2.480 1.00 0.00 N ATOM 132 CA ASN A 83 -17.353 4.906 3.270 1.00 0.00 C ATOM 133 C ASN A 83 -16.793 4.143 4.470 1.00 0.00 C ATOM 134 O ASN A 83 -17.401 4.089 5.537 1.00 0.00 O ATOM 135 CB ASN A 83 -18.019 6.203 3.736 1.00 0.00 C ATOM 136 CG ASN A 83 -17.086 7.397 3.640 1.00 0.00 C ATOM 137 OD1 ASN A 83 -15.869 7.248 3.484 1.00 0.00 O ATOM 138 ND2 ASN A 83 -17.648 8.591 3.734 1.00 0.00 N ATOM 0 H ASN A 83 -17.977 3.938 1.517 1.00 0.00 H new ATOM 0 HA ASN A 83 -16.521 5.158 2.613 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -18.907 6.390 3.133 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -18.352 6.087 4.767 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -17.073 9.431 3.678 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -18.657 8.671 3.862 1.00 0.00 H new ATOM 145 N SER A 84 -15.626 3.550 4.279 1.00 0.00 N ATOM 146 CA SER A 84 -14.934 2.829 5.338 1.00 0.00 C ATOM 147 C SER A 84 -13.425 2.984 5.147 1.00 0.00 C ATOM 148 O SER A 84 -12.966 4.028 4.684 1.00 0.00 O ATOM 149 CB SER A 84 -15.342 1.349 5.336 1.00 0.00 C ATOM 150 OG SER A 84 -16.675 1.183 4.874 1.00 0.00 O ATOM 0 H SER A 84 -15.131 3.554 3.387 1.00 0.00 H new ATOM 0 HA SER A 84 -15.213 3.246 6.306 1.00 0.00 H new ATOM 0 HB2 SER A 84 -14.661 0.782 4.701 1.00 0.00 H new ATOM 0 HB3 SER A 84 -15.250 0.943 6.343 1.00 0.00 H new ATOM 0 HG SER A 84 -17.248 0.910 5.620 1.00 0.00 H new ATOM 156 N GLY A 85 -12.659 1.958 5.494 1.00 0.00 N ATOM 157 CA GLY A 85 -11.224 2.006 5.281 1.00 0.00 C ATOM 158 C GLY A 85 -10.857 1.756 3.831 1.00 0.00 C ATOM 159 O GLY A 85 -10.982 0.637 3.342 1.00 0.00 O ATOM 0 H GLY A 85 -13.003 1.096 5.918 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -10.844 2.980 5.588 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -10.739 1.261 5.912 1.00 0.00 H new ATOM 163 N ALA A 86 -10.411 2.799 3.143 1.00 0.00 N ATOM 164 CA ALA A 86 -10.099 2.700 1.723 1.00 0.00 C ATOM 165 C ALA A 86 -8.604 2.804 1.476 1.00 0.00 C ATOM 166 O ALA A 86 -7.883 3.454 2.234 1.00 0.00 O ATOM 167 CB ALA A 86 -10.829 3.784 0.945 1.00 0.00 C ATOM 0 H ALA A 86 -10.257 3.724 3.545 1.00 0.00 H new ATOM 0 HA ALA A 86 -10.433 1.722 1.377 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -10.586 3.698 -0.114 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -11.904 3.668 1.082 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -10.520 4.764 1.309 1.00 0.00 H new ATOM 173 N CYS A 87 -8.149 2.157 0.411 1.00 0.00 N ATOM 174 CA CYS A 87 -6.762 2.246 -0.010 1.00 0.00 C ATOM 175 C CYS A 87 -6.515 3.620 -0.634 1.00 0.00 C ATOM 176 O CYS A 87 -7.267 4.060 -1.511 1.00 0.00 O ATOM 177 CB CYS A 87 -6.449 1.092 -0.982 1.00 0.00 C ATOM 178 SG CYS A 87 -5.293 1.472 -2.338 1.00 0.00 S ATOM 0 H CYS A 87 -8.728 1.561 -0.180 1.00 0.00 H new ATOM 0 HA CYS A 87 -6.090 2.145 0.842 1.00 0.00 H new ATOM 0 HB2 CYS A 87 -6.041 0.261 -0.407 1.00 0.00 H new ATOM 0 HB3 CYS A 87 -7.387 0.748 -1.418 1.00 0.00 H new ATOM 0 HG CYS A 87 -5.922 1.414 -3.474 1.00 0.00 H new ATOM 183 N SER A 88 -5.477 4.303 -0.159 1.00 0.00 N ATOM 184 CA SER A 88 -5.216 5.681 -0.551 1.00 0.00 C ATOM 185 C SER A 88 -4.606 5.763 -1.949 1.00 0.00 C ATOM 186 O SER A 88 -4.420 6.856 -2.491 1.00 0.00 O ATOM 187 CB SER A 88 -4.282 6.335 0.473 1.00 0.00 C ATOM 188 OG SER A 88 -3.739 5.362 1.354 1.00 0.00 O ATOM 0 H SER A 88 -4.801 3.920 0.502 1.00 0.00 H new ATOM 0 HA SER A 88 -6.166 6.215 -0.576 1.00 0.00 H new ATOM 0 HB2 SER A 88 -3.475 6.855 -0.044 1.00 0.00 H new ATOM 0 HB3 SER A 88 -4.829 7.085 1.045 1.00 0.00 H new ATOM 0 HG SER A 88 -2.924 4.985 0.962 1.00 0.00 H new ATOM 194 N ALA A 89 -4.307 4.614 -2.536 1.00 0.00 N ATOM 195 CA ALA A 89 -3.684 4.583 -3.846 1.00 0.00 C ATOM 196 C ALA A 89 -4.732 4.682 -4.943 1.00 0.00 C ATOM 197 O ALA A 89 -4.585 5.472 -5.876 1.00 0.00 O ATOM 198 CB ALA A 89 -2.848 3.327 -4.016 1.00 0.00 C ATOM 0 H ALA A 89 -4.485 3.697 -2.127 1.00 0.00 H new ATOM 0 HA ALA A 89 -3.022 5.446 -3.927 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -2.391 3.325 -5.005 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -2.068 3.304 -3.255 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -3.485 2.449 -3.909 1.00 0.00 H new ATOM 204 N CYS A 90 -5.799 3.899 -4.833 1.00 0.00 N ATOM 205 CA CYS A 90 -6.836 3.909 -5.854 1.00 0.00 C ATOM 206 C CYS A 90 -8.125 4.543 -5.327 1.00 0.00 C ATOM 207 O CYS A 90 -8.440 5.685 -5.659 1.00 0.00 O ATOM 208 CB CYS A 90 -7.087 2.489 -6.387 1.00 0.00 C ATOM 209 SG CYS A 90 -7.773 1.318 -5.172 1.00 0.00 S ATOM 0 H CYS A 90 -5.967 3.258 -4.058 1.00 0.00 H new ATOM 0 HA CYS A 90 -6.488 4.522 -6.685 1.00 0.00 H new ATOM 0 HB2 CYS A 90 -7.770 2.551 -7.234 1.00 0.00 H new ATOM 0 HB3 CYS A 90 -6.146 2.088 -6.764 1.00 0.00 H new ATOM 0 HG CYS A 90 -6.881 0.417 -4.887 1.00 0.00 H new ATOM 214 N GLY A 91 -8.839 3.810 -4.494 1.00 0.00 N ATOM 215 CA GLY A 91 -10.112 4.263 -3.978 1.00 0.00 C ATOM 216 C GLY A 91 -11.157 3.166 -4.037 1.00 0.00 C ATOM 217 O GLY A 91 -12.338 3.400 -3.771 1.00 0.00 O ATOM 0 H GLY A 91 -8.553 2.890 -4.159 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -9.990 4.596 -2.947 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -10.453 5.124 -4.553 1.00 0.00 H new ATOM 221 N GLN A 92 -10.724 1.963 -4.397 1.00 0.00 N ATOM 222 CA GLN A 92 -11.614 0.819 -4.454 1.00 0.00 C ATOM 223 C GLN A 92 -11.955 0.340 -3.049 1.00 0.00 C ATOM 224 O GLN A 92 -11.075 0.181 -2.200 1.00 0.00 O ATOM 225 CB GLN A 92 -10.971 -0.314 -5.269 1.00 0.00 C ATOM 226 CG GLN A 92 -11.510 -1.703 -4.951 1.00 0.00 C ATOM 227 CD GLN A 92 -12.742 -2.044 -5.763 1.00 0.00 C ATOM 228 OE1 GLN A 92 -12.706 -2.037 -6.994 1.00 0.00 O ATOM 229 NE2 GLN A 92 -13.837 -2.350 -5.084 1.00 0.00 N ATOM 0 H GLN A 92 -9.758 1.759 -4.654 1.00 0.00 H new ATOM 0 HA GLN A 92 -12.538 1.120 -4.947 1.00 0.00 H new ATOM 0 HB2 GLN A 92 -11.122 -0.113 -6.330 1.00 0.00 H new ATOM 0 HB3 GLN A 92 -9.895 -0.306 -5.093 1.00 0.00 H new ATOM 0 HG2 GLN A 92 -10.734 -2.444 -5.144 1.00 0.00 H new ATOM 0 HG3 GLN A 92 -11.750 -1.762 -3.889 1.00 0.00 H new ATOM 0 HE21 GLN A 92 -13.823 -2.344 -4.064 1.00 0.00 H new ATOM 0 HE22 GLN A 92 -14.694 -2.592 -5.581 1.00 0.00 H new ATOM 238 N SER A 93 -13.238 0.135 -2.805 1.00 0.00 N ATOM 239 CA SER A 93 -13.697 -0.418 -1.544 1.00 0.00 C ATOM 240 C SER A 93 -13.274 -1.878 -1.435 1.00 0.00 C ATOM 241 O SER A 93 -13.631 -2.692 -2.285 1.00 0.00 O ATOM 242 CB SER A 93 -15.213 -0.287 -1.448 1.00 0.00 C ATOM 243 OG SER A 93 -15.631 0.941 -2.018 1.00 0.00 O ATOM 0 H SER A 93 -13.984 0.345 -3.468 1.00 0.00 H new ATOM 0 HA SER A 93 -13.247 0.134 -0.719 1.00 0.00 H new ATOM 0 HB2 SER A 93 -15.691 -1.119 -1.965 1.00 0.00 H new ATOM 0 HB3 SER A 93 -15.525 -0.338 -0.405 1.00 0.00 H new ATOM 0 HG SER A 93 -16.358 0.776 -2.654 1.00 0.00 H new ATOM 249 N ILE A 94 -12.509 -2.188 -0.397 1.00 0.00 N ATOM 250 CA ILE A 94 -11.903 -3.506 -0.241 1.00 0.00 C ATOM 251 C ILE A 94 -12.920 -4.565 0.190 1.00 0.00 C ATOM 252 O ILE A 94 -13.495 -4.483 1.279 1.00 0.00 O ATOM 253 CB ILE A 94 -10.750 -3.456 0.790 1.00 0.00 C ATOM 254 CG1 ILE A 94 -9.620 -2.557 0.278 1.00 0.00 C ATOM 255 CG2 ILE A 94 -10.229 -4.857 1.107 1.00 0.00 C ATOM 256 CD1 ILE A 94 -9.415 -1.301 1.100 1.00 0.00 C ATOM 0 H ILE A 94 -12.291 -1.538 0.358 1.00 0.00 H new ATOM 0 HA ILE A 94 -11.514 -3.789 -1.219 1.00 0.00 H new ATOM 0 HB ILE A 94 -11.139 -3.033 1.716 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -8.691 -3.128 0.267 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -9.833 -2.274 -0.753 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -9.420 -4.788 1.834 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -11.037 -5.461 1.519 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -9.858 -5.322 0.194 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -8.598 -0.717 0.675 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -10.329 -0.707 1.091 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -9.170 -1.574 2.126 1.00 0.00 H new ATOM 268 N PRO A 95 -13.198 -5.543 -0.688 1.00 0.00 N ATOM 269 CA PRO A 95 -13.929 -6.753 -0.336 1.00 0.00 C ATOM 270 C PRO A 95 -13.010 -7.766 0.342 1.00 0.00 C ATOM 271 O PRO A 95 -11.787 -7.634 0.287 1.00 0.00 O ATOM 272 CB PRO A 95 -14.421 -7.296 -1.690 1.00 0.00 C ATOM 273 CG PRO A 95 -13.963 -6.310 -2.719 1.00 0.00 C ATOM 274 CD PRO A 95 -12.822 -5.555 -2.103 1.00 0.00 C ATOM 0 HA PRO A 95 -14.741 -6.561 0.365 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -14.009 -8.286 -1.887 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -15.506 -7.395 -1.700 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -13.646 -6.818 -3.630 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -14.772 -5.634 -2.996 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -11.866 -6.053 -2.268 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -12.731 -4.548 -2.510 1.00 0.00 H new ATOM 282 N ALA A 96 -13.587 -8.797 0.940 1.00 0.00 N ATOM 283 CA ALA A 96 -12.792 -9.832 1.594 1.00 0.00 C ATOM 284 C ALA A 96 -12.151 -10.764 0.566 1.00 0.00 C ATOM 285 O ALA A 96 -11.427 -11.693 0.917 1.00 0.00 O ATOM 286 CB ALA A 96 -13.647 -10.626 2.570 1.00 0.00 C ATOM 0 H ALA A 96 -14.596 -8.942 0.988 1.00 0.00 H new ATOM 0 HA ALA A 96 -11.994 -9.341 2.150 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -13.037 -11.393 3.048 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -14.049 -9.956 3.330 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -14.469 -11.099 2.032 1.00 0.00 H new ATOM 292 N SER A 97 -12.434 -10.512 -0.703 1.00 0.00 N ATOM 293 CA SER A 97 -11.867 -11.291 -1.787 1.00 0.00 C ATOM 294 C SER A 97 -10.510 -10.737 -2.209 1.00 0.00 C ATOM 295 O SER A 97 -9.645 -11.477 -2.679 1.00 0.00 O ATOM 296 CB SER A 97 -12.832 -11.266 -2.965 1.00 0.00 C ATOM 297 OG SER A 97 -13.983 -10.498 -2.639 1.00 0.00 O ATOM 0 H SER A 97 -13.060 -9.766 -1.007 1.00 0.00 H new ATOM 0 HA SER A 97 -11.716 -12.316 -1.449 1.00 0.00 H new ATOM 0 HB2 SER A 97 -12.339 -10.842 -3.840 1.00 0.00 H new ATOM 0 HB3 SER A 97 -13.126 -12.283 -3.226 1.00 0.00 H new ATOM 0 HG SER A 97 -14.153 -9.846 -3.350 1.00 0.00 H new ATOM 303 N GLU A 98 -10.331 -9.433 -2.032 1.00 0.00 N ATOM 304 CA GLU A 98 -9.101 -8.767 -2.426 1.00 0.00 C ATOM 305 C GLU A 98 -8.065 -8.860 -1.315 1.00 0.00 C ATOM 306 O GLU A 98 -8.353 -9.334 -0.216 1.00 0.00 O ATOM 307 CB GLU A 98 -9.368 -7.302 -2.768 1.00 0.00 C ATOM 308 CG GLU A 98 -9.823 -7.092 -4.202 1.00 0.00 C ATOM 309 CD GLU A 98 -8.884 -6.199 -4.992 1.00 0.00 C ATOM 310 OE1 GLU A 98 -9.040 -4.965 -4.936 1.00 0.00 O ATOM 311 OE2 GLU A 98 -7.995 -6.729 -5.695 1.00 0.00 O ATOM 0 H GLU A 98 -11.028 -8.815 -1.616 1.00 0.00 H new ATOM 0 HA GLU A 98 -8.713 -9.268 -3.313 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -10.129 -6.911 -2.092 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -8.460 -6.724 -2.594 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -9.901 -8.059 -4.699 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -10.820 -6.652 -4.201 1.00 0.00 H new ATOM 318 N LEU A 99 -6.862 -8.399 -1.606 1.00 0.00 N ATOM 319 CA LEU A 99 -5.773 -8.460 -0.647 1.00 0.00 C ATOM 320 C LEU A 99 -5.164 -7.077 -0.438 1.00 0.00 C ATOM 321 O LEU A 99 -4.815 -6.385 -1.399 1.00 0.00 O ATOM 322 CB LEU A 99 -4.704 -9.449 -1.125 1.00 0.00 C ATOM 323 CG LEU A 99 -5.220 -10.845 -1.485 1.00 0.00 C ATOM 324 CD1 LEU A 99 -4.153 -11.634 -2.223 1.00 0.00 C ATOM 325 CD2 LEU A 99 -5.665 -11.591 -0.236 1.00 0.00 C ATOM 0 H LEU A 99 -6.614 -7.977 -2.501 1.00 0.00 H new ATOM 0 HA LEU A 99 -6.169 -8.807 0.307 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -4.206 -9.027 -1.998 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -3.949 -9.548 -0.345 1.00 0.00 H new ATOM 0 HG LEU A 99 -6.082 -10.732 -2.143 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -4.538 -12.623 -2.471 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -3.882 -11.110 -3.140 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -3.272 -11.736 -1.589 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -6.028 -12.581 -0.513 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -4.822 -11.692 0.447 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -6.464 -11.035 0.254 1.00 0.00 H new ATOM 337 N VAL A 100 -5.046 -6.678 0.822 1.00 0.00 N ATOM 338 CA VAL A 100 -4.470 -5.385 1.168 1.00 0.00 C ATOM 339 C VAL A 100 -3.329 -5.545 2.164 1.00 0.00 C ATOM 340 O VAL A 100 -3.342 -6.450 2.999 1.00 0.00 O ATOM 341 CB VAL A 100 -5.519 -4.422 1.769 1.00 0.00 C ATOM 342 CG1 VAL A 100 -6.119 -3.552 0.681 1.00 0.00 C ATOM 343 CG2 VAL A 100 -6.611 -5.186 2.509 1.00 0.00 C ATOM 0 H VAL A 100 -5.343 -7.234 1.624 1.00 0.00 H new ATOM 0 HA VAL A 100 -4.095 -4.958 0.238 1.00 0.00 H new ATOM 0 HB VAL A 100 -5.015 -3.781 2.492 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -6.856 -2.879 1.119 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -5.331 -2.968 0.206 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -6.602 -4.183 -0.065 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -7.333 -4.481 2.920 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -7.116 -5.861 1.817 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -6.166 -5.763 3.319 1.00 0.00 H new ATOM 353 N MET A 101 -2.348 -4.661 2.062 1.00 0.00 N ATOM 354 CA MET A 101 -1.218 -4.638 2.976 1.00 0.00 C ATOM 355 C MET A 101 -1.373 -3.470 3.946 1.00 0.00 C ATOM 356 O MET A 101 -2.050 -2.488 3.638 1.00 0.00 O ATOM 357 CB MET A 101 0.105 -4.495 2.209 1.00 0.00 C ATOM 358 CG MET A 101 0.337 -5.566 1.158 1.00 0.00 C ATOM 359 SD MET A 101 1.997 -6.272 1.236 1.00 0.00 S ATOM 360 CE MET A 101 2.308 -6.597 -0.501 1.00 0.00 C ATOM 0 H MET A 101 -2.314 -3.939 1.342 1.00 0.00 H new ATOM 0 HA MET A 101 -1.198 -5.579 3.526 1.00 0.00 H new ATOM 0 HB2 MET A 101 0.128 -3.518 1.726 1.00 0.00 H new ATOM 0 HB3 MET A 101 0.929 -4.518 2.922 1.00 0.00 H new ATOM 0 HG2 MET A 101 -0.398 -6.361 1.287 1.00 0.00 H new ATOM 0 HG3 MET A 101 0.174 -5.139 0.168 1.00 0.00 H new ATOM 0 HE1 MET A 101 3.383 -6.640 -0.676 1.00 0.00 H new ATOM 0 HE2 MET A 101 1.857 -7.549 -0.779 1.00 0.00 H new ATOM 0 HE3 MET A 101 1.873 -5.800 -1.104 1.00 0.00 H new ATOM 370 N ARG A 102 -0.753 -3.576 5.109 1.00 0.00 N ATOM 371 CA ARG A 102 -0.819 -2.518 6.104 1.00 0.00 C ATOM 372 C ARG A 102 0.547 -1.872 6.280 1.00 0.00 C ATOM 373 O ARG A 102 1.409 -2.407 6.974 1.00 0.00 O ATOM 374 CB ARG A 102 -1.314 -3.070 7.443 1.00 0.00 C ATOM 375 CG ARG A 102 -2.742 -3.584 7.394 1.00 0.00 C ATOM 376 CD ARG A 102 -3.265 -3.902 8.785 1.00 0.00 C ATOM 377 NE ARG A 102 -2.606 -5.067 9.372 1.00 0.00 N ATOM 378 CZ ARG A 102 -2.910 -6.331 9.081 1.00 0.00 C ATOM 379 NH1 ARG A 102 -3.865 -6.609 8.205 1.00 0.00 N ATOM 380 NH2 ARG A 102 -2.255 -7.314 9.684 1.00 0.00 N ATOM 0 H ARG A 102 -0.198 -4.385 5.388 1.00 0.00 H new ATOM 0 HA ARG A 102 -1.524 -1.763 5.756 1.00 0.00 H new ATOM 0 HB2 ARG A 102 -0.655 -3.879 7.760 1.00 0.00 H new ATOM 0 HB3 ARG A 102 -1.243 -2.287 8.198 1.00 0.00 H new ATOM 0 HG2 ARG A 102 -3.383 -2.838 6.924 1.00 0.00 H new ATOM 0 HG3 ARG A 102 -2.787 -4.479 6.773 1.00 0.00 H new ATOM 0 HD2 ARG A 102 -3.116 -3.038 9.433 1.00 0.00 H new ATOM 0 HD3 ARG A 102 -4.339 -4.082 8.735 1.00 0.00 H new ATOM 0 HE ARG A 102 -1.863 -4.901 10.051 1.00 0.00 H new ATOM 0 HH11 ARG A 102 -4.374 -5.852 7.748 1.00 0.00 H new ATOM 0 HH12 ARG A 102 -4.091 -7.580 7.988 1.00 0.00 H new ATOM 0 HH21 ARG A 102 -1.526 -7.099 10.364 1.00 0.00 H new ATOM 0 HH22 ARG A 102 -2.481 -8.285 9.468 1.00 0.00 H new ATOM 394 N ALA A 103 0.746 -0.735 5.628 1.00 0.00 N ATOM 395 CA ALA A 103 1.996 0.001 5.746 1.00 0.00 C ATOM 396 C ALA A 103 2.015 0.812 7.033 1.00 0.00 C ATOM 397 O ALA A 103 3.055 0.964 7.674 1.00 0.00 O ATOM 398 CB ALA A 103 2.198 0.909 4.544 1.00 0.00 C ATOM 0 H ALA A 103 0.058 -0.303 5.012 1.00 0.00 H new ATOM 0 HA ALA A 103 2.816 -0.717 5.776 1.00 0.00 H new ATOM 0 HB1 ALA A 103 3.138 1.451 4.651 1.00 0.00 H new ATOM 0 HB2 ALA A 103 2.227 0.308 3.635 1.00 0.00 H new ATOM 0 HB3 ALA A 103 1.374 1.620 4.483 1.00 0.00 H new ATOM 404 N GLN A 104 0.855 1.341 7.402 1.00 0.00 N ATOM 405 CA GLN A 104 0.720 2.117 8.626 1.00 0.00 C ATOM 406 C GLN A 104 -0.712 2.016 9.143 1.00 0.00 C ATOM 407 O GLN A 104 -1.248 0.916 9.290 1.00 0.00 O ATOM 408 CB GLN A 104 1.115 3.589 8.394 1.00 0.00 C ATOM 409 CG GLN A 104 1.203 3.989 6.926 1.00 0.00 C ATOM 410 CD GLN A 104 0.004 4.792 6.461 1.00 0.00 C ATOM 411 OE1 GLN A 104 -1.005 4.892 7.158 1.00 0.00 O ATOM 412 NE2 GLN A 104 0.107 5.365 5.274 1.00 0.00 N ATOM 0 H GLN A 104 -0.009 1.245 6.868 1.00 0.00 H new ATOM 0 HA GLN A 104 1.397 1.709 9.376 1.00 0.00 H new ATOM 0 HB2 GLN A 104 0.388 4.231 8.891 1.00 0.00 H new ATOM 0 HB3 GLN A 104 2.079 3.774 8.868 1.00 0.00 H new ATOM 0 HG2 GLN A 104 2.109 4.574 6.768 1.00 0.00 H new ATOM 0 HG3 GLN A 104 1.292 3.091 6.315 1.00 0.00 H new ATOM 0 HE21 GLN A 104 0.962 5.257 4.728 1.00 0.00 H new ATOM 0 HE22 GLN A 104 -0.668 5.915 4.904 1.00 0.00 H new ATOM 421 N GLY A 105 -1.336 3.160 9.395 1.00 0.00 N ATOM 422 CA GLY A 105 -2.703 3.168 9.869 1.00 0.00 C ATOM 423 C GLY A 105 -3.692 2.921 8.745 1.00 0.00 C ATOM 424 O GLY A 105 -4.793 2.422 8.973 1.00 0.00 O ATOM 0 H GLY A 105 -0.917 4.083 9.279 1.00 0.00 H new ATOM 0 HA2 GLY A 105 -2.826 2.403 10.636 1.00 0.00 H new ATOM 0 HA3 GLY A 105 -2.919 4.128 10.339 1.00 0.00 H new ATOM 428 N ASN A 106 -3.295 3.269 7.526 1.00 0.00 N ATOM 429 CA ASN A 106 -4.133 3.045 6.357 1.00 0.00 C ATOM 430 C ASN A 106 -3.632 1.842 5.571 1.00 0.00 C ATOM 431 O ASN A 106 -2.489 1.403 5.741 1.00 0.00 O ATOM 432 CB ASN A 106 -4.172 4.288 5.460 1.00 0.00 C ATOM 433 CG ASN A 106 -5.497 4.420 4.731 1.00 0.00 C ATOM 434 OD1 ASN A 106 -6.488 4.878 5.300 1.00 0.00 O ATOM 435 ND2 ASN A 106 -5.523 4.024 3.470 1.00 0.00 N ATOM 0 H ASN A 106 -2.397 3.708 7.323 1.00 0.00 H new ATOM 0 HA ASN A 106 -5.148 2.844 6.701 1.00 0.00 H new ATOM 0 HB2 ASN A 106 -4.001 5.178 6.066 1.00 0.00 H new ATOM 0 HB3 ASN A 106 -3.361 4.236 4.733 1.00 0.00 H new ATOM 0 HD21 ASN A 106 -6.387 4.092 2.932 1.00 0.00 H new ATOM 0 HD22 ASN A 106 -4.679 3.650 3.035 1.00 0.00 H new ATOM 442 N VAL A 107 -4.487 1.312 4.713 1.00 0.00 N ATOM 443 CA VAL A 107 -4.159 0.123 3.949 1.00 0.00 C ATOM 444 C VAL A 107 -3.809 0.467 2.508 1.00 0.00 C ATOM 445 O VAL A 107 -4.137 1.547 2.014 1.00 0.00 O ATOM 446 CB VAL A 107 -5.320 -0.893 3.955 1.00 0.00 C ATOM 447 CG1 VAL A 107 -5.328 -1.692 5.248 1.00 0.00 C ATOM 448 CG2 VAL A 107 -6.655 -0.192 3.739 1.00 0.00 C ATOM 0 H VAL A 107 -5.417 1.689 4.528 1.00 0.00 H new ATOM 0 HA VAL A 107 -3.291 -0.326 4.432 1.00 0.00 H new ATOM 0 HB VAL A 107 -5.169 -1.588 3.129 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -6.154 -2.403 5.232 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -4.387 -2.233 5.348 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -5.449 -1.015 6.093 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -7.458 -0.929 3.747 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -6.819 0.532 4.537 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -6.644 0.323 2.778 1.00 0.00 H new ATOM 458 N TYR A 108 -3.125 -0.458 1.858 1.00 0.00 N ATOM 459 CA TYR A 108 -2.799 -0.337 0.447 1.00 0.00 C ATOM 460 C TYR A 108 -3.027 -1.684 -0.215 1.00 0.00 C ATOM 461 O TYR A 108 -2.763 -2.719 0.389 1.00 0.00 O ATOM 462 CB TYR A 108 -1.339 0.094 0.252 1.00 0.00 C ATOM 463 CG TYR A 108 -1.030 1.499 0.725 1.00 0.00 C ATOM 464 CD1 TYR A 108 -1.205 2.589 -0.120 1.00 0.00 C ATOM 465 CD2 TYR A 108 -0.555 1.731 2.009 1.00 0.00 C ATOM 466 CE1 TYR A 108 -0.921 3.871 0.307 1.00 0.00 C ATOM 467 CE2 TYR A 108 -0.270 3.009 2.443 1.00 0.00 C ATOM 468 CZ TYR A 108 -0.452 4.075 1.589 1.00 0.00 C ATOM 469 OH TYR A 108 -0.166 5.349 2.022 1.00 0.00 O ATOM 0 H TYR A 108 -2.780 -1.314 2.293 1.00 0.00 H new ATOM 0 HA TYR A 108 -3.436 0.424 -0.003 1.00 0.00 H new ATOM 0 HB2 TYR A 108 -0.693 -0.605 0.783 1.00 0.00 H new ATOM 0 HB3 TYR A 108 -1.089 0.017 -0.806 1.00 0.00 H new ATOM 0 HD1 TYR A 108 -1.568 2.431 -1.125 1.00 0.00 H new ATOM 0 HD2 TYR A 108 -0.406 0.897 2.679 1.00 0.00 H new ATOM 0 HE1 TYR A 108 -1.065 4.709 -0.358 1.00 0.00 H new ATOM 0 HE2 TYR A 108 0.094 3.173 3.447 1.00 0.00 H new ATOM 0 HH TYR A 108 0.688 5.347 2.503 1.00 0.00 H new ATOM 479 N HIS A 109 -3.516 -1.683 -1.442 1.00 0.00 N ATOM 480 CA HIS A 109 -3.822 -2.932 -2.139 1.00 0.00 C ATOM 481 C HIS A 109 -2.557 -3.698 -2.496 1.00 0.00 C ATOM 482 O HIS A 109 -1.469 -3.136 -2.525 1.00 0.00 O ATOM 483 CB HIS A 109 -4.597 -2.656 -3.418 1.00 0.00 C ATOM 484 CG HIS A 109 -6.074 -2.587 -3.224 1.00 0.00 C ATOM 485 ND1 HIS A 109 -6.774 -1.450 -3.495 1.00 0.00 N ATOM 486 CD2 HIS A 109 -6.938 -3.542 -2.802 1.00 0.00 C ATOM 487 CE1 HIS A 109 -8.039 -1.718 -3.244 1.00 0.00 C ATOM 488 NE2 HIS A 109 -8.194 -2.985 -2.816 1.00 0.00 N ATOM 0 H HIS A 109 -3.711 -0.838 -1.980 1.00 0.00 H new ATOM 0 HA HIS A 109 -4.424 -3.535 -1.460 1.00 0.00 H new ATOM 0 HB2 HIS A 109 -4.252 -1.714 -3.845 1.00 0.00 H new ATOM 0 HB3 HIS A 109 -4.371 -3.437 -4.144 1.00 0.00 H new ATOM 0 HD2 HIS A 109 -6.687 -4.551 -2.510 1.00 0.00 H new ATOM 0 HE1 HIS A 109 -8.848 -1.012 -3.366 1.00 0.00 H new ATOM 0 HE2 HIS A 109 -9.069 -3.440 -2.555 1.00 0.00 H new ATOM 496 N LEU A 110 -2.711 -4.986 -2.784 1.00 0.00 N ATOM 497 CA LEU A 110 -1.605 -5.797 -3.282 1.00 0.00 C ATOM 498 C LEU A 110 -1.203 -5.330 -4.679 1.00 0.00 C ATOM 499 O LEU A 110 -0.051 -5.461 -5.088 1.00 0.00 O ATOM 500 CB LEU A 110 -1.995 -7.284 -3.294 1.00 0.00 C ATOM 501 CG LEU A 110 -2.644 -7.800 -4.583 1.00 0.00 C ATOM 502 CD1 LEU A 110 -2.228 -9.239 -4.850 1.00 0.00 C ATOM 503 CD2 LEU A 110 -4.159 -7.688 -4.501 1.00 0.00 C ATOM 0 H LEU A 110 -3.591 -5.491 -2.681 1.00 0.00 H new ATOM 0 HA LEU A 110 -0.750 -5.676 -2.617 1.00 0.00 H new ATOM 0 HB2 LEU A 110 -1.100 -7.875 -3.100 1.00 0.00 H new ATOM 0 HB3 LEU A 110 -2.682 -7.465 -2.467 1.00 0.00 H new ATOM 0 HG LEU A 110 -2.299 -7.183 -5.413 1.00 0.00 H new ATOM 0 HD11 LEU A 110 -2.698 -9.589 -5.769 1.00 0.00 H new ATOM 0 HD12 LEU A 110 -1.144 -9.291 -4.954 1.00 0.00 H new ATOM 0 HD13 LEU A 110 -2.543 -9.869 -4.018 1.00 0.00 H new ATOM 0 HD21 LEU A 110 -4.602 -8.059 -5.425 1.00 0.00 H new ATOM 0 HD22 LEU A 110 -4.523 -8.280 -3.661 1.00 0.00 H new ATOM 0 HD23 LEU A 110 -4.439 -6.644 -4.358 1.00 0.00 H new ATOM 515 N LYS A 111 -2.165 -4.766 -5.397 1.00 0.00 N ATOM 516 CA LYS A 111 -1.920 -4.252 -6.735 1.00 0.00 C ATOM 517 C LYS A 111 -1.484 -2.791 -6.681 1.00 0.00 C ATOM 518 O LYS A 111 -0.826 -2.297 -7.594 1.00 0.00 O ATOM 519 CB LYS A 111 -3.174 -4.399 -7.604 1.00 0.00 C ATOM 520 CG LYS A 111 -4.360 -3.574 -7.121 1.00 0.00 C ATOM 521 CD LYS A 111 -5.598 -4.436 -6.927 1.00 0.00 C ATOM 522 CE LYS A 111 -6.704 -4.040 -7.896 1.00 0.00 C ATOM 523 NZ LYS A 111 -7.988 -4.731 -7.607 1.00 0.00 N ATOM 0 H LYS A 111 -3.125 -4.653 -5.072 1.00 0.00 H new ATOM 0 HA LYS A 111 -1.115 -4.836 -7.181 1.00 0.00 H new ATOM 0 HB2 LYS A 111 -2.932 -4.106 -8.626 1.00 0.00 H new ATOM 0 HB3 LYS A 111 -3.463 -5.450 -7.633 1.00 0.00 H new ATOM 0 HG2 LYS A 111 -4.105 -3.085 -6.181 1.00 0.00 H new ATOM 0 HG3 LYS A 111 -4.574 -2.786 -7.843 1.00 0.00 H new ATOM 0 HD2 LYS A 111 -5.340 -5.485 -7.074 1.00 0.00 H new ATOM 0 HD3 LYS A 111 -5.956 -4.337 -5.902 1.00 0.00 H new ATOM 0 HE2 LYS A 111 -6.856 -2.962 -7.847 1.00 0.00 H new ATOM 0 HE3 LYS A 111 -6.391 -4.272 -8.914 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 -8.536 -4.826 -8.486 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 -7.794 -5.675 -7.216 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 -8.533 -4.176 -6.917 1.00 0.00 H new ATOM 537 N CYS A 112 -1.843 -2.109 -5.598 1.00 0.00 N ATOM 538 CA CYS A 112 -1.562 -0.689 -5.456 1.00 0.00 C ATOM 539 C CYS A 112 -0.259 -0.452 -4.688 1.00 0.00 C ATOM 540 O CYS A 112 0.325 0.632 -4.765 1.00 0.00 O ATOM 541 CB CYS A 112 -2.742 -0.001 -4.764 1.00 0.00 C ATOM 542 SG CYS A 112 -4.334 -0.226 -5.635 1.00 0.00 S ATOM 0 H CYS A 112 -2.332 -2.522 -4.803 1.00 0.00 H new ATOM 0 HA CYS A 112 -1.431 -0.258 -6.448 1.00 0.00 H new ATOM 0 HB2 CYS A 112 -2.834 -0.389 -3.750 1.00 0.00 H new ATOM 0 HB3 CYS A 112 -2.531 1.065 -4.679 1.00 0.00 H new ATOM 0 HG CYS A 112 -5.233 -0.647 -4.795 1.00 0.00 H new ATOM 547 N PHE A 113 0.193 -1.470 -3.958 1.00 0.00 N ATOM 548 CA PHE A 113 1.457 -1.403 -3.226 1.00 0.00 C ATOM 549 C PHE A 113 2.633 -1.343 -4.195 1.00 0.00 C ATOM 550 O PHE A 113 3.265 -2.355 -4.507 1.00 0.00 O ATOM 551 CB PHE A 113 1.601 -2.610 -2.287 1.00 0.00 C ATOM 552 CG PHE A 113 2.131 -2.263 -0.918 1.00 0.00 C ATOM 553 CD1 PHE A 113 2.001 -0.977 -0.410 1.00 0.00 C ATOM 554 CD2 PHE A 113 2.767 -3.220 -0.140 1.00 0.00 C ATOM 555 CE1 PHE A 113 2.492 -0.658 0.844 1.00 0.00 C ATOM 556 CE2 PHE A 113 3.261 -2.905 1.112 1.00 0.00 C ATOM 557 CZ PHE A 113 3.124 -1.625 1.602 1.00 0.00 C ATOM 0 H PHE A 113 -0.301 -2.357 -3.857 1.00 0.00 H new ATOM 0 HA PHE A 113 1.456 -0.494 -2.624 1.00 0.00 H new ATOM 0 HB2 PHE A 113 0.629 -3.090 -2.178 1.00 0.00 H new ATOM 0 HB3 PHE A 113 2.267 -3.339 -2.749 1.00 0.00 H new ATOM 0 HD1 PHE A 113 1.511 -0.217 -1.000 1.00 0.00 H new ATOM 0 HD2 PHE A 113 2.878 -4.226 -0.518 1.00 0.00 H new ATOM 0 HE1 PHE A 113 2.381 0.345 1.229 1.00 0.00 H new ATOM 0 HE2 PHE A 113 3.754 -3.661 1.705 1.00 0.00 H new ATOM 0 HZ PHE A 113 3.511 -1.377 2.579 1.00 0.00 H new ATOM 567 N THR A 114 2.912 -0.146 -4.672 1.00 0.00 N ATOM 568 CA THR A 114 3.970 0.075 -5.634 1.00 0.00 C ATOM 569 C THR A 114 4.782 1.301 -5.232 1.00 0.00 C ATOM 570 O THR A 114 4.308 2.124 -4.444 1.00 0.00 O ATOM 571 CB THR A 114 3.382 0.282 -7.045 1.00 0.00 C ATOM 572 OG1 THR A 114 2.152 1.021 -6.958 1.00 0.00 O ATOM 573 CG2 THR A 114 3.113 -1.051 -7.730 1.00 0.00 C ATOM 0 H THR A 114 2.410 0.700 -4.403 1.00 0.00 H new ATOM 0 HA THR A 114 4.617 -0.802 -5.649 1.00 0.00 H new ATOM 0 HB THR A 114 4.112 0.838 -7.634 1.00 0.00 H new ATOM 0 HG1 THR A 114 2.345 1.950 -6.713 1.00 0.00 H new ATOM 0 HG21 THR A 114 2.699 -0.873 -8.722 1.00 0.00 H new ATOM 0 HG22 THR A 114 4.045 -1.608 -7.820 1.00 0.00 H new ATOM 0 HG23 THR A 114 2.402 -1.627 -7.138 1.00 0.00 H new ATOM 581 N CYS A 115 5.993 1.430 -5.755 1.00 0.00 N ATOM 582 CA CYS A 115 6.826 2.563 -5.410 1.00 0.00 C ATOM 583 C CYS A 115 6.313 3.841 -6.066 1.00 0.00 C ATOM 584 O CYS A 115 5.712 3.813 -7.144 1.00 0.00 O ATOM 585 CB CYS A 115 8.285 2.306 -5.794 1.00 0.00 C ATOM 586 SG CYS A 115 8.584 1.954 -7.558 1.00 0.00 S ATOM 0 H CYS A 115 6.413 0.771 -6.411 1.00 0.00 H new ATOM 0 HA CYS A 115 6.777 2.695 -4.329 1.00 0.00 H new ATOM 0 HB2 CYS A 115 8.876 3.177 -5.510 1.00 0.00 H new ATOM 0 HB3 CYS A 115 8.654 1.465 -5.206 1.00 0.00 H new ATOM 0 HG CYS A 115 9.682 2.538 -7.937 1.00 0.00 H new ATOM 591 N SER A 116 6.545 4.960 -5.405 1.00 0.00 N ATOM 592 CA SER A 116 6.127 6.248 -5.921 1.00 0.00 C ATOM 593 C SER A 116 7.206 6.835 -6.829 1.00 0.00 C ATOM 594 O SER A 116 7.029 7.901 -7.423 1.00 0.00 O ATOM 595 CB SER A 116 5.826 7.192 -4.758 1.00 0.00 C ATOM 596 OG SER A 116 5.371 6.465 -3.625 1.00 0.00 O ATOM 0 H SER A 116 7.023 5.001 -4.505 1.00 0.00 H new ATOM 0 HA SER A 116 5.222 6.119 -6.514 1.00 0.00 H new ATOM 0 HB2 SER A 116 6.723 7.755 -4.499 1.00 0.00 H new ATOM 0 HB3 SER A 116 5.070 7.917 -5.058 1.00 0.00 H new ATOM 0 HG SER A 116 6.124 5.988 -3.218 1.00 0.00 H new ATOM 602 N THR A 117 8.317 6.121 -6.949 1.00 0.00 N ATOM 603 CA THR A 117 9.438 6.587 -7.745 1.00 0.00 C ATOM 604 C THR A 117 9.338 6.111 -9.191 1.00 0.00 C ATOM 605 O THR A 117 9.354 6.917 -10.126 1.00 0.00 O ATOM 606 CB THR A 117 10.756 6.054 -7.149 1.00 0.00 C ATOM 607 OG1 THR A 117 10.632 5.930 -5.728 1.00 0.00 O ATOM 608 CG2 THR A 117 11.932 6.958 -7.496 1.00 0.00 C ATOM 0 H THR A 117 8.464 5.215 -6.503 1.00 0.00 H new ATOM 0 HA THR A 117 9.419 7.677 -7.731 1.00 0.00 H new ATOM 0 HB THR A 117 10.951 5.074 -7.584 1.00 0.00 H new ATOM 0 HG1 THR A 117 11.315 5.312 -5.393 1.00 0.00 H new ATOM 0 HG21 THR A 117 12.844 6.552 -7.060 1.00 0.00 H new ATOM 0 HG22 THR A 117 12.041 7.013 -8.579 1.00 0.00 H new ATOM 0 HG23 THR A 117 11.753 7.957 -7.098 1.00 0.00 H new ATOM 616 N CYS A 118 9.207 4.806 -9.365 1.00 0.00 N ATOM 617 CA CYS A 118 9.263 4.206 -10.690 1.00 0.00 C ATOM 618 C CYS A 118 8.011 3.388 -11.008 1.00 0.00 C ATOM 619 O CYS A 118 7.721 3.122 -12.174 1.00 0.00 O ATOM 620 CB CYS A 118 10.522 3.358 -10.771 1.00 0.00 C ATOM 621 SG CYS A 118 11.581 3.538 -9.295 1.00 0.00 S ATOM 0 H CYS A 118 9.061 4.141 -8.606 1.00 0.00 H new ATOM 0 HA CYS A 118 9.297 4.994 -11.442 1.00 0.00 H new ATOM 0 HB2 CYS A 118 10.244 2.311 -10.889 1.00 0.00 H new ATOM 0 HB3 CYS A 118 11.089 3.639 -11.658 1.00 0.00 H new ATOM 0 HG CYS A 118 12.822 3.656 -9.663 1.00 0.00 H new ATOM 626 N ARG A 119 7.302 2.985 -9.953 1.00 0.00 N ATOM 627 CA ARG A 119 6.083 2.181 -10.050 1.00 0.00 C ATOM 628 C ARG A 119 6.409 0.699 -10.240 1.00 0.00 C ATOM 629 O ARG A 119 5.907 0.049 -11.160 1.00 0.00 O ATOM 630 CB ARG A 119 5.159 2.674 -11.167 1.00 0.00 C ATOM 631 CG ARG A 119 3.856 3.247 -10.659 1.00 0.00 C ATOM 632 CD ARG A 119 2.806 2.166 -10.476 1.00 0.00 C ATOM 633 NE ARG A 119 1.974 2.410 -9.298 1.00 0.00 N ATOM 634 CZ ARG A 119 1.085 3.399 -9.192 1.00 0.00 C ATOM 635 NH1 ARG A 119 0.839 4.202 -10.222 1.00 0.00 N ATOM 636 NH2 ARG A 119 0.427 3.573 -8.055 1.00 0.00 N ATOM 0 H ARG A 119 7.562 3.211 -8.993 1.00 0.00 H new ATOM 0 HA ARG A 119 5.552 2.298 -9.105 1.00 0.00 H new ATOM 0 HB2 ARG A 119 5.679 3.434 -11.750 1.00 0.00 H new ATOM 0 HB3 ARG A 119 4.944 1.846 -11.843 1.00 0.00 H new ATOM 0 HG2 ARG A 119 4.026 3.755 -9.710 1.00 0.00 H new ATOM 0 HG3 ARG A 119 3.489 3.997 -11.360 1.00 0.00 H new ATOM 0 HD2 ARG A 119 2.175 2.119 -11.363 1.00 0.00 H new ATOM 0 HD3 ARG A 119 3.295 1.197 -10.381 1.00 0.00 H new ATOM 0 HE ARG A 119 2.081 1.780 -8.503 1.00 0.00 H new ATOM 0 HH11 ARG A 119 1.332 4.065 -11.104 1.00 0.00 H new ATOM 0 HH12 ARG A 119 0.157 4.955 -10.130 1.00 0.00 H new ATOM 0 HH21 ARG A 119 0.601 2.952 -7.265 1.00 0.00 H new ATOM 0 HH22 ARG A 119 -0.254 4.328 -7.970 1.00 0.00 H new ATOM 650 N ASN A 120 7.270 0.178 -9.377 1.00 0.00 N ATOM 651 CA ASN A 120 7.500 -1.250 -9.290 1.00 0.00 C ATOM 652 C ASN A 120 6.662 -1.809 -8.158 1.00 0.00 C ATOM 653 O ASN A 120 6.354 -1.099 -7.199 1.00 0.00 O ATOM 654 CB ASN A 120 8.977 -1.555 -9.047 1.00 0.00 C ATOM 655 CG ASN A 120 9.416 -2.871 -9.663 1.00 0.00 C ATOM 656 OD1 ASN A 120 8.601 -3.760 -9.914 1.00 0.00 O ATOM 657 ND2 ASN A 120 10.709 -3.002 -9.916 1.00 0.00 N ATOM 0 H ASN A 120 7.823 0.732 -8.723 1.00 0.00 H new ATOM 0 HA ASN A 120 7.215 -1.715 -10.234 1.00 0.00 H new ATOM 0 HB2 ASN A 120 9.582 -0.747 -9.458 1.00 0.00 H new ATOM 0 HB3 ASN A 120 9.166 -1.581 -7.974 1.00 0.00 H new ATOM 0 HD21 ASN A 120 11.062 -3.863 -10.334 1.00 0.00 H new ATOM 0 HD22 ASN A 120 11.352 -2.242 -9.693 1.00 0.00 H new ATOM 664 N ARG A 121 6.280 -3.061 -8.264 1.00 0.00 N ATOM 665 CA ARG A 121 5.410 -3.658 -7.270 1.00 0.00 C ATOM 666 C ARG A 121 6.214 -4.209 -6.102 1.00 0.00 C ATOM 667 O ARG A 121 7.190 -4.938 -6.299 1.00 0.00 O ATOM 668 CB ARG A 121 4.583 -4.777 -7.896 1.00 0.00 C ATOM 669 CG ARG A 121 3.154 -4.842 -7.380 1.00 0.00 C ATOM 670 CD ARG A 121 2.179 -5.136 -8.505 1.00 0.00 C ATOM 671 NE ARG A 121 1.276 -4.014 -8.769 1.00 0.00 N ATOM 672 CZ ARG A 121 1.108 -3.451 -9.969 1.00 0.00 C ATOM 673 NH1 ARG A 121 1.833 -3.848 -11.009 1.00 0.00 N ATOM 674 NH2 ARG A 121 0.227 -2.473 -10.121 1.00 0.00 N ATOM 0 H ARG A 121 6.555 -3.685 -9.023 1.00 0.00 H new ATOM 0 HA ARG A 121 4.743 -2.881 -6.897 1.00 0.00 H new ATOM 0 HB2 ARG A 121 4.564 -4.641 -8.977 1.00 0.00 H new ATOM 0 HB3 ARG A 121 5.074 -5.731 -7.703 1.00 0.00 H new ATOM 0 HG2 ARG A 121 3.075 -5.615 -6.615 1.00 0.00 H new ATOM 0 HG3 ARG A 121 2.892 -3.896 -6.906 1.00 0.00 H new ATOM 0 HD2 ARG A 121 2.736 -5.372 -9.412 1.00 0.00 H new ATOM 0 HD3 ARG A 121 1.592 -6.019 -8.252 1.00 0.00 H new ATOM 0 HE ARG A 121 0.741 -3.638 -7.986 1.00 0.00 H new ATOM 0 HH11 ARG A 121 2.525 -4.589 -10.895 1.00 0.00 H new ATOM 0 HH12 ARG A 121 1.698 -3.412 -11.921 1.00 0.00 H new ATOM 0 HH21 ARG A 121 -0.321 -2.152 -9.323 1.00 0.00 H new ATOM 0 HH22 ARG A 121 0.097 -2.041 -11.036 1.00 0.00 H new ATOM 688 N LEU A 122 5.809 -3.851 -4.893 1.00 0.00 N ATOM 689 CA LEU A 122 6.400 -4.420 -3.690 1.00 0.00 C ATOM 690 C LEU A 122 5.833 -5.818 -3.483 1.00 0.00 C ATOM 691 O LEU A 122 4.757 -6.127 -3.996 1.00 0.00 O ATOM 692 CB LEU A 122 6.114 -3.532 -2.479 1.00 0.00 C ATOM 693 CG LEU A 122 6.414 -2.044 -2.689 1.00 0.00 C ATOM 694 CD1 LEU A 122 5.771 -1.199 -1.599 1.00 0.00 C ATOM 695 CD2 LEU A 122 7.915 -1.804 -2.736 1.00 0.00 C ATOM 0 H LEU A 122 5.072 -3.168 -4.718 1.00 0.00 H new ATOM 0 HA LEU A 122 7.482 -4.480 -3.804 1.00 0.00 H new ATOM 0 HB2 LEU A 122 5.065 -3.642 -2.205 1.00 0.00 H new ATOM 0 HB3 LEU A 122 6.703 -3.892 -1.635 1.00 0.00 H new ATOM 0 HG LEU A 122 5.985 -1.744 -3.645 1.00 0.00 H new ATOM 0 HD11 LEU A 122 5.999 -0.147 -1.772 1.00 0.00 H new ATOM 0 HD12 LEU A 122 4.691 -1.343 -1.616 1.00 0.00 H new ATOM 0 HD13 LEU A 122 6.162 -1.500 -0.627 1.00 0.00 H new ATOM 0 HD21 LEU A 122 8.109 -0.742 -2.886 1.00 0.00 H new ATOM 0 HD22 LEU A 122 8.365 -2.126 -1.797 1.00 0.00 H new ATOM 0 HD23 LEU A 122 8.349 -2.372 -3.559 1.00 0.00 H new ATOM 707 N VAL A 123 6.525 -6.665 -2.735 1.00 0.00 N ATOM 708 CA VAL A 123 6.157 -8.070 -2.700 1.00 0.00 C ATOM 709 C VAL A 123 6.139 -8.601 -1.279 1.00 0.00 C ATOM 710 O VAL A 123 7.000 -8.260 -0.468 1.00 0.00 O ATOM 711 CB VAL A 123 7.107 -8.940 -3.558 1.00 0.00 C ATOM 712 CG1 VAL A 123 6.369 -9.512 -4.757 1.00 0.00 C ATOM 713 CG2 VAL A 123 8.322 -8.148 -4.018 1.00 0.00 C ATOM 0 H VAL A 123 7.326 -6.411 -2.157 1.00 0.00 H new ATOM 0 HA VAL A 123 5.153 -8.135 -3.120 1.00 0.00 H new ATOM 0 HB VAL A 123 7.457 -9.762 -2.933 1.00 0.00 H new ATOM 0 HG11 VAL A 123 7.053 -10.121 -5.349 1.00 0.00 H new ATOM 0 HG12 VAL A 123 5.539 -10.129 -4.413 1.00 0.00 H new ATOM 0 HG13 VAL A 123 5.985 -8.697 -5.371 1.00 0.00 H new ATOM 0 HG21 VAL A 123 8.968 -8.789 -4.618 1.00 0.00 H new ATOM 0 HG22 VAL A 123 7.996 -7.298 -4.617 1.00 0.00 H new ATOM 0 HG23 VAL A 123 8.873 -7.789 -3.149 1.00 0.00 H new ATOM 723 N PRO A 124 5.137 -9.428 -0.955 1.00 0.00 N ATOM 724 CA PRO A 124 5.016 -10.059 0.359 1.00 0.00 C ATOM 725 C PRO A 124 6.264 -10.848 0.726 1.00 0.00 C ATOM 726 O PRO A 124 6.667 -11.753 -0.003 1.00 0.00 O ATOM 727 CB PRO A 124 3.814 -11.001 0.205 1.00 0.00 C ATOM 728 CG PRO A 124 3.576 -11.110 -1.265 1.00 0.00 C ATOM 729 CD PRO A 124 4.035 -9.810 -1.849 1.00 0.00 C ATOM 0 HA PRO A 124 4.890 -9.324 1.154 1.00 0.00 H new ATOM 0 HB2 PRO A 124 4.023 -11.978 0.642 1.00 0.00 H new ATOM 0 HB3 PRO A 124 2.937 -10.604 0.716 1.00 0.00 H new ATOM 0 HG2 PRO A 124 4.130 -11.947 -1.690 1.00 0.00 H new ATOM 0 HG3 PRO A 124 2.521 -11.284 -1.479 1.00 0.00 H new ATOM 0 HD2 PRO A 124 4.370 -9.925 -2.880 1.00 0.00 H new ATOM 0 HD3 PRO A 124 3.240 -9.064 -1.854 1.00 0.00 H new ATOM 737 N GLY A 125 6.880 -10.488 1.843 1.00 0.00 N ATOM 738 CA GLY A 125 8.070 -11.186 2.282 1.00 0.00 C ATOM 739 C GLY A 125 9.339 -10.552 1.749 1.00 0.00 C ATOM 740 O GLY A 125 10.446 -11.006 2.057 1.00 0.00 O ATOM 0 H GLY A 125 6.578 -9.727 2.451 1.00 0.00 H new ATOM 0 HA2 GLY A 125 8.101 -11.196 3.372 1.00 0.00 H new ATOM 0 HA3 GLY A 125 8.021 -12.225 1.955 1.00 0.00 H new ATOM 744 N ASP A 126 9.189 -9.511 0.949 1.00 0.00 N ATOM 745 CA ASP A 126 10.336 -8.793 0.417 1.00 0.00 C ATOM 746 C ASP A 126 10.401 -7.392 1.012 1.00 0.00 C ATOM 747 O ASP A 126 9.553 -7.019 1.820 1.00 0.00 O ATOM 748 CB ASP A 126 10.282 -8.729 -1.106 1.00 0.00 C ATOM 749 CG ASP A 126 11.658 -8.840 -1.725 1.00 0.00 C ATOM 750 OD1 ASP A 126 12.457 -7.890 -1.584 1.00 0.00 O ATOM 751 OD2 ASP A 126 11.954 -9.889 -2.335 1.00 0.00 O ATOM 0 H ASP A 126 8.285 -9.143 0.653 1.00 0.00 H new ATOM 0 HA ASP A 126 11.240 -9.334 0.697 1.00 0.00 H new ATOM 0 HB2 ASP A 126 9.649 -9.534 -1.481 1.00 0.00 H new ATOM 0 HB3 ASP A 126 9.820 -7.791 -1.414 1.00 0.00 H new ATOM 756 N ARG A 127 11.386 -6.615 0.607 1.00 0.00 N ATOM 757 CA ARG A 127 11.646 -5.337 1.248 1.00 0.00 C ATOM 758 C ARG A 127 10.854 -4.200 0.614 1.00 0.00 C ATOM 759 O ARG A 127 10.555 -4.214 -0.581 1.00 0.00 O ATOM 760 CB ARG A 127 13.136 -5.018 1.201 1.00 0.00 C ATOM 761 CG ARG A 127 13.901 -5.539 2.404 1.00 0.00 C ATOM 762 CD ARG A 127 14.651 -4.426 3.117 1.00 0.00 C ATOM 763 NE ARG A 127 15.788 -4.950 3.867 1.00 0.00 N ATOM 764 CZ ARG A 127 17.050 -4.896 3.444 1.00 0.00 C ATOM 765 NH1 ARG A 127 17.366 -4.240 2.328 1.00 0.00 N ATOM 766 NH2 ARG A 127 18.001 -5.480 4.165 1.00 0.00 N ATOM 0 H ARG A 127 12.019 -6.843 -0.160 1.00 0.00 H new ATOM 0 HA ARG A 127 11.321 -5.426 2.285 1.00 0.00 H new ATOM 0 HB2 ARG A 127 13.563 -5.446 0.294 1.00 0.00 H new ATOM 0 HB3 ARG A 127 13.267 -3.938 1.136 1.00 0.00 H new ATOM 0 HG2 ARG A 127 13.208 -6.014 3.098 1.00 0.00 H new ATOM 0 HG3 ARG A 127 14.606 -6.306 2.083 1.00 0.00 H new ATOM 0 HD2 ARG A 127 14.999 -3.694 2.388 1.00 0.00 H new ATOM 0 HD3 ARG A 127 13.975 -3.904 3.794 1.00 0.00 H new ATOM 0 HE ARG A 127 15.605 -5.385 4.771 1.00 0.00 H new ATOM 0 HH11 ARG A 127 16.638 -3.772 1.788 1.00 0.00 H new ATOM 0 HH12 ARG A 127 18.336 -4.205 2.014 1.00 0.00 H new ATOM 0 HH21 ARG A 127 17.761 -5.962 5.031 1.00 0.00 H new ATOM 0 HH22 ARG A 127 18.971 -5.446 3.852 1.00 0.00 H new ATOM 780 N PHE A 128 10.518 -3.221 1.436 1.00 0.00 N ATOM 781 CA PHE A 128 9.843 -2.019 0.985 1.00 0.00 C ATOM 782 C PHE A 128 10.272 -0.860 1.874 1.00 0.00 C ATOM 783 O PHE A 128 10.526 -1.049 3.064 1.00 0.00 O ATOM 784 CB PHE A 128 8.318 -2.218 1.000 1.00 0.00 C ATOM 785 CG PHE A 128 7.609 -1.647 2.203 1.00 0.00 C ATOM 786 CD1 PHE A 128 7.608 -2.322 3.412 1.00 0.00 C ATOM 787 CD2 PHE A 128 6.940 -0.437 2.115 1.00 0.00 C ATOM 788 CE1 PHE A 128 6.951 -1.802 4.510 1.00 0.00 C ATOM 789 CE2 PHE A 128 6.281 0.087 3.210 1.00 0.00 C ATOM 790 CZ PHE A 128 6.288 -0.593 4.410 1.00 0.00 C ATOM 0 H PHE A 128 10.707 -3.239 2.438 1.00 0.00 H new ATOM 0 HA PHE A 128 10.121 -1.795 -0.045 1.00 0.00 H new ATOM 0 HB2 PHE A 128 7.899 -1.764 0.102 1.00 0.00 H new ATOM 0 HB3 PHE A 128 8.106 -3.286 0.946 1.00 0.00 H new ATOM 0 HD1 PHE A 128 8.127 -3.265 3.497 1.00 0.00 H new ATOM 0 HD2 PHE A 128 6.934 0.103 1.180 1.00 0.00 H new ATOM 0 HE1 PHE A 128 6.955 -2.340 5.447 1.00 0.00 H new ATOM 0 HE2 PHE A 128 5.760 1.029 3.127 1.00 0.00 H new ATOM 0 HZ PHE A 128 5.777 -0.182 5.268 1.00 0.00 H new ATOM 800 N HIS A 129 10.378 0.326 1.302 1.00 0.00 N ATOM 801 CA HIS A 129 10.882 1.470 2.043 1.00 0.00 C ATOM 802 C HIS A 129 9.801 2.537 2.200 1.00 0.00 C ATOM 803 O HIS A 129 9.254 3.026 1.216 1.00 0.00 O ATOM 804 CB HIS A 129 12.111 2.059 1.334 1.00 0.00 C ATOM 805 CG HIS A 129 13.319 1.165 1.364 1.00 0.00 C ATOM 806 ND1 HIS A 129 14.376 1.411 2.206 1.00 0.00 N ATOM 807 CD2 HIS A 129 13.585 0.047 0.639 1.00 0.00 C ATOM 808 CE1 HIS A 129 15.254 0.448 1.979 1.00 0.00 C ATOM 809 NE2 HIS A 129 14.818 -0.403 1.040 1.00 0.00 N ATOM 0 H HIS A 129 10.124 0.522 0.334 1.00 0.00 H new ATOM 0 HA HIS A 129 11.174 1.132 3.037 1.00 0.00 H new ATOM 0 HB2 HIS A 129 11.853 2.270 0.296 1.00 0.00 H new ATOM 0 HB3 HIS A 129 12.365 3.012 1.799 1.00 0.00 H new ATOM 0 HD2 HIS A 129 12.948 -0.401 -0.109 1.00 0.00 H new ATOM 0 HE1 HIS A 129 16.203 0.359 2.487 1.00 0.00 H new ATOM 0 HE2 HIS A 129 15.308 -1.226 0.691 1.00 0.00 H new ATOM 817 N TYR A 130 9.482 2.882 3.438 1.00 0.00 N ATOM 818 CA TYR A 130 8.557 3.965 3.710 1.00 0.00 C ATOM 819 C TYR A 130 9.321 5.102 4.365 1.00 0.00 C ATOM 820 O TYR A 130 9.609 5.064 5.561 1.00 0.00 O ATOM 821 CB TYR A 130 7.434 3.483 4.631 1.00 0.00 C ATOM 822 CG TYR A 130 6.068 4.050 4.311 1.00 0.00 C ATOM 823 CD1 TYR A 130 5.362 3.627 3.194 1.00 0.00 C ATOM 824 CD2 TYR A 130 5.481 5.003 5.133 1.00 0.00 C ATOM 825 CE1 TYR A 130 4.106 4.132 2.906 1.00 0.00 C ATOM 826 CE2 TYR A 130 4.226 5.514 4.853 1.00 0.00 C ATOM 827 CZ TYR A 130 3.544 5.078 3.737 1.00 0.00 C ATOM 828 OH TYR A 130 2.291 5.579 3.453 1.00 0.00 O ATOM 0 H TYR A 130 9.853 2.424 4.271 1.00 0.00 H new ATOM 0 HA TYR A 130 8.108 4.310 2.778 1.00 0.00 H new ATOM 0 HB2 TYR A 130 7.382 2.395 4.580 1.00 0.00 H new ATOM 0 HB3 TYR A 130 7.689 3.742 5.659 1.00 0.00 H new ATOM 0 HD1 TYR A 130 5.801 2.890 2.537 1.00 0.00 H new ATOM 0 HD2 TYR A 130 6.013 5.351 6.006 1.00 0.00 H new ATOM 0 HE1 TYR A 130 3.569 3.787 2.035 1.00 0.00 H new ATOM 0 HE2 TYR A 130 3.783 6.251 5.506 1.00 0.00 H new ATOM 0 HH TYR A 130 2.274 6.542 3.636 1.00 0.00 H new ATOM 838 N ILE A 131 9.650 6.110 3.579 1.00 0.00 N ATOM 839 CA ILE A 131 10.459 7.215 4.064 1.00 0.00 C ATOM 840 C ILE A 131 9.733 8.532 3.846 1.00 0.00 C ATOM 841 O ILE A 131 9.317 8.844 2.728 1.00 0.00 O ATOM 842 CB ILE A 131 11.846 7.251 3.371 1.00 0.00 C ATOM 843 CG1 ILE A 131 12.677 6.029 3.776 1.00 0.00 C ATOM 844 CG2 ILE A 131 12.597 8.538 3.706 1.00 0.00 C ATOM 845 CD1 ILE A 131 13.512 5.455 2.650 1.00 0.00 C ATOM 0 H ILE A 131 9.370 6.187 2.601 1.00 0.00 H new ATOM 0 HA ILE A 131 10.621 7.066 5.131 1.00 0.00 H new ATOM 0 HB ILE A 131 11.684 7.226 2.293 1.00 0.00 H new ATOM 0 HG12 ILE A 131 13.336 6.306 4.599 1.00 0.00 H new ATOM 0 HG13 ILE A 131 12.008 5.254 4.150 1.00 0.00 H new ATOM 0 HG21 ILE A 131 13.566 8.535 3.206 1.00 0.00 H new ATOM 0 HG22 ILE A 131 12.017 9.396 3.367 1.00 0.00 H new ATOM 0 HG23 ILE A 131 12.745 8.603 4.784 1.00 0.00 H new ATOM 0 HD11 ILE A 131 14.071 4.593 3.015 1.00 0.00 H new ATOM 0 HD12 ILE A 131 12.859 5.145 1.834 1.00 0.00 H new ATOM 0 HD13 ILE A 131 14.208 6.213 2.290 1.00 0.00 H new ATOM 857 N ASN A 132 9.552 9.276 4.934 1.00 0.00 N ATOM 858 CA ASN A 132 8.861 10.561 4.902 1.00 0.00 C ATOM 859 C ASN A 132 7.427 10.376 4.426 1.00 0.00 C ATOM 860 O ASN A 132 6.871 11.230 3.739 1.00 0.00 O ATOM 861 CB ASN A 132 9.599 11.562 4.007 1.00 0.00 C ATOM 862 CG ASN A 132 9.945 12.842 4.745 1.00 0.00 C ATOM 863 OD1 ASN A 132 9.292 13.207 5.721 1.00 0.00 O ATOM 864 ND2 ASN A 132 10.974 13.537 4.284 1.00 0.00 N ATOM 0 H ASN A 132 9.880 9.005 5.861 1.00 0.00 H new ATOM 0 HA ASN A 132 8.846 10.965 5.914 1.00 0.00 H new ATOM 0 HB2 ASN A 132 10.513 11.104 3.629 1.00 0.00 H new ATOM 0 HB3 ASN A 132 8.980 11.799 3.142 1.00 0.00 H new ATOM 0 HD21 ASN A 132 11.248 14.406 4.741 1.00 0.00 H new ATOM 0 HD22 ASN A 132 11.492 13.203 3.472 1.00 0.00 H new ATOM 871 N GLY A 133 6.848 9.237 4.790 1.00 0.00 N ATOM 872 CA GLY A 133 5.485 8.925 4.403 1.00 0.00 C ATOM 873 C GLY A 133 5.341 8.655 2.916 1.00 0.00 C ATOM 874 O GLY A 133 4.314 8.982 2.322 1.00 0.00 O ATOM 0 H GLY A 133 7.304 8.518 5.352 1.00 0.00 H new ATOM 0 HA2 GLY A 133 5.145 8.052 4.960 1.00 0.00 H new ATOM 0 HA3 GLY A 133 4.835 9.754 4.681 1.00 0.00 H new ATOM 878 N SER A 134 6.357 8.039 2.317 1.00 0.00 N ATOM 879 CA SER A 134 6.343 7.768 0.885 1.00 0.00 C ATOM 880 C SER A 134 6.729 6.319 0.616 1.00 0.00 C ATOM 881 O SER A 134 7.428 5.700 1.421 1.00 0.00 O ATOM 882 CB SER A 134 7.287 8.718 0.142 1.00 0.00 C ATOM 883 OG SER A 134 7.501 9.913 0.876 1.00 0.00 O ATOM 0 H SER A 134 7.197 7.720 2.800 1.00 0.00 H new ATOM 0 HA SER A 134 5.331 7.935 0.516 1.00 0.00 H new ATOM 0 HB2 SER A 134 8.241 8.221 -0.034 1.00 0.00 H new ATOM 0 HB3 SER A 134 6.868 8.959 -0.835 1.00 0.00 H new ATOM 0 HG SER A 134 8.135 9.741 1.603 1.00 0.00 H new ATOM 889 N LEU A 135 6.271 5.784 -0.508 1.00 0.00 N ATOM 890 CA LEU A 135 6.529 4.394 -0.858 1.00 0.00 C ATOM 891 C LEU A 135 7.727 4.293 -1.793 1.00 0.00 C ATOM 892 O LEU A 135 7.685 4.780 -2.922 1.00 0.00 O ATOM 893 CB LEU A 135 5.295 3.772 -1.518 1.00 0.00 C ATOM 894 CG LEU A 135 4.296 3.128 -0.554 1.00 0.00 C ATOM 895 CD1 LEU A 135 3.035 2.702 -1.287 1.00 0.00 C ATOM 896 CD2 LEU A 135 4.926 1.935 0.147 1.00 0.00 C ATOM 0 H LEU A 135 5.717 6.294 -1.195 1.00 0.00 H new ATOM 0 HA LEU A 135 6.752 3.846 0.057 1.00 0.00 H new ATOM 0 HB2 LEU A 135 4.779 4.545 -2.088 1.00 0.00 H new ATOM 0 HB3 LEU A 135 5.626 3.017 -2.231 1.00 0.00 H new ATOM 0 HG LEU A 135 4.023 3.870 0.196 1.00 0.00 H new ATOM 0 HD11 LEU A 135 2.340 2.247 -0.581 1.00 0.00 H new ATOM 0 HD12 LEU A 135 2.568 3.574 -1.745 1.00 0.00 H new ATOM 0 HD13 LEU A 135 3.291 1.979 -2.061 1.00 0.00 H new ATOM 0 HD21 LEU A 135 4.202 1.489 0.829 1.00 0.00 H new ATOM 0 HD22 LEU A 135 5.229 1.196 -0.594 1.00 0.00 H new ATOM 0 HD23 LEU A 135 5.800 2.263 0.710 1.00 0.00 H new ATOM 908 N PHE A 136 8.791 3.670 -1.311 1.00 0.00 N ATOM 909 CA PHE A 136 9.996 3.483 -2.098 1.00 0.00 C ATOM 910 C PHE A 136 10.308 2.001 -2.247 1.00 0.00 C ATOM 911 O PHE A 136 9.883 1.170 -1.437 1.00 0.00 O ATOM 912 CB PHE A 136 11.186 4.207 -1.456 1.00 0.00 C ATOM 913 CG PHE A 136 10.987 5.690 -1.327 1.00 0.00 C ATOM 914 CD1 PHE A 136 10.623 6.451 -2.425 1.00 0.00 C ATOM 915 CD2 PHE A 136 11.173 6.324 -0.109 1.00 0.00 C ATOM 916 CE1 PHE A 136 10.441 7.816 -2.311 1.00 0.00 C ATOM 917 CE2 PHE A 136 10.993 7.687 0.011 1.00 0.00 C ATOM 918 CZ PHE A 136 10.629 8.434 -1.092 1.00 0.00 C ATOM 0 H PHE A 136 8.842 3.282 -0.369 1.00 0.00 H new ATOM 0 HA PHE A 136 9.824 3.910 -3.086 1.00 0.00 H new ATOM 0 HB2 PHE A 136 11.367 3.785 -0.467 1.00 0.00 H new ATOM 0 HB3 PHE A 136 12.080 4.019 -2.051 1.00 0.00 H new ATOM 0 HD1 PHE A 136 10.480 5.972 -3.382 1.00 0.00 H new ATOM 0 HD2 PHE A 136 11.462 5.745 0.756 1.00 0.00 H new ATOM 0 HE1 PHE A 136 10.152 8.398 -3.174 1.00 0.00 H new ATOM 0 HE2 PHE A 136 11.137 8.169 0.967 1.00 0.00 H new ATOM 0 HZ PHE A 136 10.492 9.501 -1.000 1.00 0.00 H new ATOM 928 N CYS A 137 11.059 1.690 -3.282 1.00 0.00 N ATOM 929 CA CYS A 137 11.374 0.326 -3.640 1.00 0.00 C ATOM 930 C CYS A 137 12.679 -0.139 -3.012 1.00 0.00 C ATOM 931 O CYS A 137 13.546 0.667 -2.701 1.00 0.00 O ATOM 932 CB CYS A 137 11.515 0.288 -5.145 1.00 0.00 C ATOM 933 SG CYS A 137 11.907 1.928 -5.841 1.00 0.00 S ATOM 0 H CYS A 137 11.472 2.385 -3.904 1.00 0.00 H new ATOM 0 HA CYS A 137 10.585 -0.334 -3.280 1.00 0.00 H new ATOM 0 HB2 CYS A 137 12.300 -0.418 -5.417 1.00 0.00 H new ATOM 0 HB3 CYS A 137 10.589 -0.080 -5.586 1.00 0.00 H new ATOM 0 HG CYS A 137 10.868 2.392 -6.469 1.00 0.00 H new ATOM 938 N GLU A 138 12.789 -1.437 -2.786 1.00 0.00 N ATOM 939 CA GLU A 138 14.087 -2.062 -2.575 1.00 0.00 C ATOM 940 C GLU A 138 14.751 -2.294 -3.931 1.00 0.00 C ATOM 941 O GLU A 138 15.976 -2.341 -4.053 1.00 0.00 O ATOM 942 CB GLU A 138 13.933 -3.386 -1.820 1.00 0.00 C ATOM 943 CG GLU A 138 15.256 -4.065 -1.488 1.00 0.00 C ATOM 944 CD GLU A 138 16.143 -3.215 -0.599 1.00 0.00 C ATOM 945 OE1 GLU A 138 15.735 -2.919 0.542 1.00 0.00 O ATOM 946 OE2 GLU A 138 17.253 -2.852 -1.036 1.00 0.00 O ATOM 0 H GLU A 138 11.998 -2.079 -2.744 1.00 0.00 H new ATOM 0 HA GLU A 138 14.711 -1.404 -1.970 1.00 0.00 H new ATOM 0 HB2 GLU A 138 13.387 -3.204 -0.894 1.00 0.00 H new ATOM 0 HB3 GLU A 138 13.327 -4.066 -2.419 1.00 0.00 H new ATOM 0 HG2 GLU A 138 15.058 -5.016 -0.994 1.00 0.00 H new ATOM 0 HG3 GLU A 138 15.786 -4.291 -2.413 1.00 0.00 H new ATOM 953 N HIS A 139 13.905 -2.396 -4.953 1.00 0.00 N ATOM 954 CA HIS A 139 14.329 -2.797 -6.290 1.00 0.00 C ATOM 955 C HIS A 139 14.924 -1.633 -7.071 1.00 0.00 C ATOM 956 O HIS A 139 16.033 -1.727 -7.599 1.00 0.00 O ATOM 957 CB HIS A 139 13.140 -3.381 -7.057 1.00 0.00 C ATOM 958 CG HIS A 139 13.482 -4.617 -7.821 1.00 0.00 C ATOM 959 ND1 HIS A 139 13.744 -5.796 -7.174 1.00 0.00 N ATOM 960 CD2 HIS A 139 13.587 -4.812 -9.157 1.00 0.00 C ATOM 961 CE1 HIS A 139 13.998 -6.679 -8.119 1.00 0.00 C ATOM 962 NE2 HIS A 139 13.916 -6.131 -9.340 1.00 0.00 N ATOM 0 H HIS A 139 12.906 -2.203 -4.877 1.00 0.00 H new ATOM 0 HA HIS A 139 15.106 -3.553 -6.178 1.00 0.00 H new ATOM 0 HB2 HIS A 139 12.338 -3.607 -6.354 1.00 0.00 H new ATOM 0 HB3 HIS A 139 12.757 -2.629 -7.747 1.00 0.00 H new ATOM 0 HD2 HIS A 139 13.440 -4.072 -9.929 1.00 0.00 H new ATOM 0 HE1 HIS A 139 14.242 -7.715 -7.933 1.00 0.00 H new ATOM 0 HE2 HIS A 139 14.069 -6.603 -10.231 1.00 0.00 H new ATOM 970 N ASP A 140 14.184 -0.538 -7.141 1.00 0.00 N ATOM 971 CA ASP A 140 14.616 0.636 -7.886 1.00 0.00 C ATOM 972 C ASP A 140 14.836 1.786 -6.910 1.00 0.00 C ATOM 973 O ASP A 140 14.596 2.953 -7.230 1.00 0.00 O ATOM 974 CB ASP A 140 13.585 1.024 -8.966 1.00 0.00 C ATOM 975 CG ASP A 140 12.458 0.010 -9.154 1.00 0.00 C ATOM 976 OD1 ASP A 140 12.679 -1.027 -9.834 1.00 0.00 O ATOM 977 OD2 ASP A 140 11.340 0.258 -8.655 1.00 0.00 O ATOM 0 H ASP A 140 13.276 -0.437 -6.688 1.00 0.00 H new ATOM 0 HA ASP A 140 15.550 0.409 -8.400 1.00 0.00 H new ATOM 0 HB2 ASP A 140 13.150 1.989 -8.706 1.00 0.00 H new ATOM 0 HB3 ASP A 140 14.103 1.154 -9.916 1.00 0.00 H new ATOM 982 N ARG A 141 15.305 1.413 -5.718 1.00 0.00 N ATOM 983 CA ARG A 141 15.470 2.326 -4.585 1.00 0.00 C ATOM 984 C ARG A 141 16.191 3.612 -4.972 1.00 0.00 C ATOM 985 O ARG A 141 17.257 3.578 -5.589 1.00 0.00 O ATOM 986 CB ARG A 141 16.244 1.618 -3.472 1.00 0.00 C ATOM 987 CG ARG A 141 16.118 2.281 -2.109 1.00 0.00 C ATOM 988 CD ARG A 141 17.396 2.132 -1.302 1.00 0.00 C ATOM 989 NE ARG A 141 18.443 3.030 -1.782 1.00 0.00 N ATOM 990 CZ ARG A 141 19.451 2.651 -2.569 1.00 0.00 C ATOM 991 NH1 ARG A 141 19.567 1.384 -2.952 1.00 0.00 N ATOM 992 NH2 ARG A 141 20.346 3.540 -2.972 1.00 0.00 N ATOM 0 H ARG A 141 15.585 0.455 -5.509 1.00 0.00 H new ATOM 0 HA ARG A 141 14.474 2.605 -4.240 1.00 0.00 H new ATOM 0 HB2 ARG A 141 15.892 0.589 -3.397 1.00 0.00 H new ATOM 0 HB3 ARG A 141 17.298 1.575 -3.747 1.00 0.00 H new ATOM 0 HG2 ARG A 141 15.887 3.339 -2.237 1.00 0.00 H new ATOM 0 HG3 ARG A 141 15.286 1.837 -1.562 1.00 0.00 H new ATOM 0 HD2 ARG A 141 17.190 2.340 -0.252 1.00 0.00 H new ATOM 0 HD3 ARG A 141 17.745 1.101 -1.360 1.00 0.00 H new ATOM 0 HE ARG A 141 18.401 4.009 -1.497 1.00 0.00 H new ATOM 0 HH11 ARG A 141 18.882 0.693 -2.644 1.00 0.00 H new ATOM 0 HH12 ARG A 141 20.341 1.102 -3.554 1.00 0.00 H new ATOM 0 HH21 ARG A 141 20.264 4.514 -2.681 1.00 0.00 H new ATOM 0 HH22 ARG A 141 21.117 3.251 -3.574 1.00 0.00 H new ATOM 1006 N PRO A 142 15.607 4.763 -4.609 1.00 0.00 N ATOM 1007 CA PRO A 142 16.200 6.072 -4.878 1.00 0.00 C ATOM 1008 C PRO A 142 17.496 6.285 -4.102 1.00 0.00 C ATOM 1009 O PRO A 142 17.622 5.877 -2.943 1.00 0.00 O ATOM 1010 CB PRO A 142 15.129 7.067 -4.409 1.00 0.00 C ATOM 1011 CG PRO A 142 13.876 6.268 -4.273 1.00 0.00 C ATOM 1012 CD PRO A 142 14.315 4.881 -3.914 1.00 0.00 C ATOM 0 HA PRO A 142 16.467 6.185 -5.929 1.00 0.00 H new ATOM 0 HB2 PRO A 142 15.407 7.525 -3.460 1.00 0.00 H new ATOM 0 HB3 PRO A 142 15.003 7.876 -5.129 1.00 0.00 H new ATOM 0 HG2 PRO A 142 13.228 6.685 -3.502 1.00 0.00 H new ATOM 0 HG3 PRO A 142 13.308 6.270 -5.203 1.00 0.00 H new ATOM 0 HD2 PRO A 142 14.421 4.756 -2.836 1.00 0.00 H new ATOM 0 HD3 PRO A 142 13.602 4.130 -4.253 1.00 0.00 H new ATOM 1020 N THR A 143 18.460 6.922 -4.750 1.00 0.00 N ATOM 1021 CA THR A 143 19.757 7.183 -4.146 1.00 0.00 C ATOM 1022 C THR A 143 19.776 8.522 -3.416 1.00 0.00 C ATOM 1023 O THR A 143 20.766 8.878 -2.776 1.00 0.00 O ATOM 1024 CB THR A 143 20.854 7.180 -5.224 1.00 0.00 C ATOM 1025 OG1 THR A 143 20.246 7.043 -6.516 1.00 0.00 O ATOM 1026 CG2 THR A 143 21.841 6.045 -4.996 1.00 0.00 C ATOM 0 H THR A 143 18.366 7.271 -5.704 1.00 0.00 H new ATOM 0 HA THR A 143 19.946 6.391 -3.421 1.00 0.00 H new ATOM 0 HB THR A 143 21.401 8.121 -5.168 1.00 0.00 H new ATOM 0 HG1 THR A 143 20.941 7.042 -7.206 1.00 0.00 H new ATOM 0 HG21 THR A 143 22.606 6.066 -5.772 1.00 0.00 H new ATOM 0 HG22 THR A 143 22.312 6.163 -4.020 1.00 0.00 H new ATOM 0 HG23 THR A 143 21.314 5.092 -5.032 1.00 0.00 H new ATOM 1034 N ALA A 144 18.675 9.260 -3.507 1.00 0.00 N ATOM 1035 CA ALA A 144 18.598 10.588 -2.916 1.00 0.00 C ATOM 1036 C ALA A 144 17.918 10.562 -1.549 1.00 0.00 C ATOM 1037 O ALA A 144 18.579 10.684 -0.516 1.00 0.00 O ATOM 1038 CB ALA A 144 17.875 11.536 -3.856 1.00 0.00 C ATOM 0 H ALA A 144 17.825 8.960 -3.984 1.00 0.00 H new ATOM 0 HA ALA A 144 19.616 10.946 -2.764 1.00 0.00 H new ATOM 0 HB1 ALA A 144 17.823 12.527 -3.404 1.00 0.00 H new ATOM 0 HB2 ALA A 144 18.417 11.596 -4.800 1.00 0.00 H new ATOM 0 HB3 ALA A 144 16.866 11.167 -4.039 1.00 0.00 H new ATOM 1044 N LEU A 145 16.601 10.395 -1.546 1.00 0.00 N ATOM 1045 CA LEU A 145 15.826 10.435 -0.311 1.00 0.00 C ATOM 1046 C LEU A 145 15.834 9.078 0.386 1.00 0.00 C ATOM 1047 O LEU A 145 14.936 8.260 0.188 1.00 0.00 O ATOM 1048 CB LEU A 145 14.386 10.871 -0.598 1.00 0.00 C ATOM 1049 CG LEU A 145 14.106 11.309 -2.037 1.00 0.00 C ATOM 1050 CD1 LEU A 145 13.100 10.379 -2.694 1.00 0.00 C ATOM 1051 CD2 LEU A 145 13.608 12.745 -2.063 1.00 0.00 C ATOM 0 H LEU A 145 16.046 10.230 -2.386 1.00 0.00 H new ATOM 0 HA LEU A 145 16.291 11.163 0.354 1.00 0.00 H new ATOM 0 HB2 LEU A 145 13.719 10.045 -0.351 1.00 0.00 H new ATOM 0 HB3 LEU A 145 14.134 11.695 0.070 1.00 0.00 H new ATOM 0 HG LEU A 145 15.036 11.256 -2.603 1.00 0.00 H new ATOM 0 HD11 LEU A 145 12.914 10.708 -3.717 1.00 0.00 H new ATOM 0 HD12 LEU A 145 13.496 9.364 -2.705 1.00 0.00 H new ATOM 0 HD13 LEU A 145 12.166 10.398 -2.132 1.00 0.00 H new ATOM 0 HD21 LEU A 145 13.413 13.044 -3.093 1.00 0.00 H new ATOM 0 HD22 LEU A 145 12.689 12.822 -1.482 1.00 0.00 H new ATOM 0 HD23 LEU A 145 14.365 13.400 -1.632 1.00 0.00 H new ATOM 1063 N ILE A 146 16.863 8.844 1.189 1.00 0.00 N ATOM 1064 CA ILE A 146 16.972 7.621 1.973 1.00 0.00 C ATOM 1065 C ILE A 146 17.585 7.926 3.328 1.00 0.00 C ATOM 1066 O ILE A 146 18.537 8.698 3.421 1.00 0.00 O ATOM 1067 CB ILE A 146 17.838 6.551 1.275 1.00 0.00 C ATOM 1068 CG1 ILE A 146 18.731 7.178 0.201 1.00 0.00 C ATOM 1069 CG2 ILE A 146 16.956 5.474 0.667 1.00 0.00 C ATOM 1070 CD1 ILE A 146 20.188 7.270 0.595 1.00 0.00 C ATOM 0 H ILE A 146 17.641 9.492 1.315 1.00 0.00 H new ATOM 0 HA ILE A 146 15.962 7.227 2.084 1.00 0.00 H new ATOM 0 HB ILE A 146 18.484 6.096 2.026 1.00 0.00 H new ATOM 0 HG12 ILE A 146 18.648 6.592 -0.714 1.00 0.00 H new ATOM 0 HG13 ILE A 146 18.362 8.178 -0.026 1.00 0.00 H new ATOM 0 HG21 ILE A 146 17.580 4.726 0.178 1.00 0.00 H new ATOM 0 HG22 ILE A 146 16.368 4.999 1.452 1.00 0.00 H new ATOM 0 HG23 ILE A 146 16.286 5.923 -0.066 1.00 0.00 H new ATOM 0 HD11 ILE A 146 20.756 7.725 -0.216 1.00 0.00 H new ATOM 0 HD12 ILE A 146 20.284 7.881 1.492 1.00 0.00 H new ATOM 0 HD13 ILE A 146 20.575 6.271 0.794 1.00 0.00 H new ATOM 1146 N GLY A 207 15.433 -0.188 5.728 1.00 0.00 N ATOM 1147 CA GLY A 207 14.109 -0.380 5.180 1.00 0.00 C ATOM 1148 C GLY A 207 13.383 -1.533 5.833 1.00 0.00 C ATOM 1149 O GLY A 207 13.969 -2.288 6.612 1.00 0.00 O ATOM 0 HA2 GLY A 207 13.528 0.533 5.310 1.00 0.00 H new ATOM 0 HA3 GLY A 207 14.184 -0.561 4.108 1.00 0.00 H new ATOM 1153 N SER A 208 12.110 -1.677 5.514 1.00 0.00 N ATOM 1154 CA SER A 208 11.281 -2.694 6.134 1.00 0.00 C ATOM 1155 C SER A 208 10.914 -3.794 5.139 1.00 0.00 C ATOM 1156 O SER A 208 11.371 -3.797 3.997 1.00 0.00 O ATOM 1157 CB SER A 208 10.012 -2.050 6.695 1.00 0.00 C ATOM 1158 OG SER A 208 10.078 -0.637 6.603 1.00 0.00 O ATOM 0 H SER A 208 11.626 -1.100 4.826 1.00 0.00 H new ATOM 0 HA SER A 208 11.849 -3.152 6.944 1.00 0.00 H new ATOM 0 HB2 SER A 208 9.142 -2.414 6.148 1.00 0.00 H new ATOM 0 HB3 SER A 208 9.880 -2.345 7.736 1.00 0.00 H new ATOM 0 HG SER A 208 9.256 -0.247 6.966 1.00 0.00 H new ATOM 1164 N ILE A 404 10.093 -4.729 5.588 1.00 0.00 N ATOM 1165 CA ILE A 404 9.593 -5.806 4.748 1.00 0.00 C ATOM 1166 C ILE A 404 8.106 -5.605 4.526 1.00 0.00 C ATOM 1167 O ILE A 404 7.386 -5.265 5.465 1.00 0.00 O ATOM 1168 CB ILE A 404 9.835 -7.179 5.420 1.00 0.00 C ATOM 1169 CG1 ILE A 404 11.339 -7.469 5.524 1.00 0.00 C ATOM 1170 CG2 ILE A 404 9.108 -8.294 4.678 1.00 0.00 C ATOM 1171 CD1 ILE A 404 11.971 -7.942 4.233 1.00 0.00 C ATOM 0 H ILE A 404 9.753 -4.763 6.549 1.00 0.00 H new ATOM 0 HA ILE A 404 10.122 -5.790 3.795 1.00 0.00 H new ATOM 0 HB ILE A 404 9.425 -7.139 6.429 1.00 0.00 H new ATOM 0 HG12 ILE A 404 11.850 -6.565 5.855 1.00 0.00 H new ATOM 0 HG13 ILE A 404 11.499 -8.225 6.292 1.00 0.00 H new ATOM 0 HG21 ILE A 404 9.298 -9.246 5.175 1.00 0.00 H new ATOM 0 HG22 ILE A 404 8.037 -8.092 4.677 1.00 0.00 H new ATOM 0 HG23 ILE A 404 9.469 -8.343 3.651 1.00 0.00 H new ATOM 0 HD11 ILE A 404 13.034 -8.124 4.393 1.00 0.00 H new ATOM 0 HD12 ILE A 404 11.490 -8.865 3.909 1.00 0.00 H new ATOM 0 HD13 ILE A 404 11.846 -7.178 3.465 1.00 0.00 H new ATOM 1183 N ALA A 405 7.659 -5.774 3.286 1.00 0.00 N ATOM 1184 CA ALA A 405 6.246 -5.669 2.960 1.00 0.00 C ATOM 1185 C ALA A 405 5.459 -6.698 3.757 1.00 0.00 C ATOM 1186 O ALA A 405 5.622 -7.903 3.543 1.00 0.00 O ATOM 1187 CB ALA A 405 6.029 -5.861 1.464 1.00 0.00 C ATOM 0 H ALA A 405 8.260 -5.985 2.489 1.00 0.00 H new ATOM 0 HA ALA A 405 5.891 -4.673 3.226 1.00 0.00 H new ATOM 0 HB1 ALA A 405 4.966 -5.779 1.237 1.00 0.00 H new ATOM 0 HB2 ALA A 405 6.577 -5.095 0.916 1.00 0.00 H new ATOM 0 HB3 ALA A 405 6.389 -6.846 1.168 1.00 0.00 H new ATOM 1193 N PRO A 406 4.609 -6.221 4.690 1.00 0.00 N ATOM 1194 CA PRO A 406 3.899 -7.070 5.653 1.00 0.00 C ATOM 1195 C PRO A 406 3.279 -8.299 5.010 1.00 0.00 C ATOM 1196 O PRO A 406 3.770 -9.419 5.184 1.00 0.00 O ATOM 1197 CB PRO A 406 2.814 -6.138 6.205 1.00 0.00 C ATOM 1198 CG PRO A 406 3.407 -4.779 6.101 1.00 0.00 C ATOM 1199 CD PRO A 406 4.261 -4.794 4.864 1.00 0.00 C ATOM 0 HA PRO A 406 4.568 -7.470 6.415 1.00 0.00 H new ATOM 0 HB2 PRO A 406 1.893 -6.215 5.628 1.00 0.00 H new ATOM 0 HB3 PRO A 406 2.565 -6.385 7.237 1.00 0.00 H new ATOM 0 HG2 PRO A 406 2.630 -4.018 6.029 1.00 0.00 H new ATOM 0 HG3 PRO A 406 4.002 -4.544 6.983 1.00 0.00 H new ATOM 0 HD2 PRO A 406 3.720 -4.406 4.001 1.00 0.00 H new ATOM 0 HD3 PRO A 406 5.152 -4.177 4.986 1.00 0.00 H new ATOM 1207 N PHE A 407 2.212 -8.064 4.264 1.00 0.00 N ATOM 1208 CA PHE A 407 1.488 -9.107 3.560 1.00 0.00 C ATOM 1209 C PHE A 407 0.175 -8.563 3.026 1.00 0.00 C ATOM 1210 O PHE A 407 -0.492 -7.773 3.695 1.00 0.00 O ATOM 1211 CB PHE A 407 1.182 -10.292 4.479 1.00 0.00 C ATOM 1212 CG PHE A 407 1.327 -11.620 3.808 1.00 0.00 C ATOM 1213 CD1 PHE A 407 2.556 -12.034 3.330 1.00 0.00 C ATOM 1214 CD2 PHE A 407 0.235 -12.458 3.660 1.00 0.00 C ATOM 1215 CE1 PHE A 407 2.696 -13.261 2.711 1.00 0.00 C ATOM 1216 CE2 PHE A 407 0.367 -13.687 3.045 1.00 0.00 C ATOM 1217 CZ PHE A 407 1.600 -14.088 2.571 1.00 0.00 C ATOM 0 H PHE A 407 1.820 -7.132 4.129 1.00 0.00 H new ATOM 0 HA PHE A 407 2.121 -9.445 2.740 1.00 0.00 H new ATOM 0 HB2 PHE A 407 1.848 -10.255 5.341 1.00 0.00 H new ATOM 0 HB3 PHE A 407 0.165 -10.194 4.858 1.00 0.00 H new ATOM 0 HD1 PHE A 407 3.417 -11.391 3.442 1.00 0.00 H new ATOM 0 HD2 PHE A 407 -0.731 -12.147 4.030 1.00 0.00 H new ATOM 0 HE1 PHE A 407 3.660 -13.572 2.338 1.00 0.00 H new ATOM 0 HE2 PHE A 407 -0.492 -14.333 2.935 1.00 0.00 H new ATOM 0 HZ PHE A 407 1.707 -15.049 2.090 1.00 0.00 H new ATOM 1227 N PRO A 408 -0.198 -8.947 1.803 1.00 0.00 N ATOM 1228 CA PRO A 408 -1.503 -8.639 1.263 1.00 0.00 C ATOM 1229 C PRO A 408 -2.523 -9.684 1.681 1.00 0.00 C ATOM 1230 O PRO A 408 -2.513 -10.814 1.190 1.00 0.00 O ATOM 1231 CB PRO A 408 -1.278 -8.672 -0.238 1.00 0.00 C ATOM 1232 CG PRO A 408 -0.161 -9.645 -0.447 1.00 0.00 C ATOM 1233 CD PRO A 408 0.632 -9.696 0.841 1.00 0.00 C ATOM 0 HA PRO A 408 -1.895 -7.685 1.615 1.00 0.00 H new ATOM 0 HB2 PRO A 408 -2.179 -8.988 -0.764 1.00 0.00 H new ATOM 0 HB3 PRO A 408 -1.016 -7.685 -0.619 1.00 0.00 H new ATOM 0 HG2 PRO A 408 -0.551 -10.631 -0.698 1.00 0.00 H new ATOM 0 HG3 PRO A 408 0.472 -9.332 -1.277 1.00 0.00 H new ATOM 0 HD2 PRO A 408 0.794 -10.723 1.169 1.00 0.00 H new ATOM 0 HD3 PRO A 408 1.615 -9.240 0.723 1.00 0.00 H new ATOM 1241 N GLU A 409 -3.394 -9.304 2.586 1.00 0.00 N ATOM 1242 CA GLU A 409 -4.358 -10.232 3.149 1.00 0.00 C ATOM 1243 C GLU A 409 -5.759 -9.646 3.084 1.00 0.00 C ATOM 1244 O GLU A 409 -5.932 -8.464 2.779 1.00 0.00 O ATOM 1245 CB GLU A 409 -3.995 -10.570 4.601 1.00 0.00 C ATOM 1246 CG GLU A 409 -3.570 -9.364 5.421 1.00 0.00 C ATOM 1247 CD GLU A 409 -3.327 -9.704 6.876 1.00 0.00 C ATOM 1248 OE1 GLU A 409 -2.421 -10.513 7.163 1.00 0.00 O ATOM 1249 OE2 GLU A 409 -4.038 -9.161 7.745 1.00 0.00 O ATOM 0 H GLU A 409 -3.458 -8.354 2.953 1.00 0.00 H new ATOM 0 HA GLU A 409 -4.334 -11.149 2.561 1.00 0.00 H new ATOM 0 HB2 GLU A 409 -4.853 -11.040 5.081 1.00 0.00 H new ATOM 0 HB3 GLU A 409 -3.188 -11.302 4.603 1.00 0.00 H new ATOM 0 HG2 GLU A 409 -2.660 -8.941 4.994 1.00 0.00 H new ATOM 0 HG3 GLU A 409 -4.340 -8.595 5.355 1.00 0.00 H new ATOM 1256 N ALA A 410 -6.753 -10.476 3.355 1.00 0.00 N ATOM 1257 CA ALA A 410 -8.132 -10.026 3.373 1.00 0.00 C ATOM 1258 C ALA A 410 -8.421 -9.267 4.662 1.00 0.00 C ATOM 1259 O ALA A 410 -8.422 -9.845 5.750 1.00 0.00 O ATOM 1260 CB ALA A 410 -9.076 -11.209 3.221 1.00 0.00 C ATOM 0 H ALA A 410 -6.629 -11.466 3.566 1.00 0.00 H new ATOM 0 HA ALA A 410 -8.293 -9.351 2.533 1.00 0.00 H new ATOM 0 HB1 ALA A 410 -10.107 -10.856 3.236 1.00 0.00 H new ATOM 0 HB2 ALA A 410 -8.879 -11.713 2.275 1.00 0.00 H new ATOM 0 HB3 ALA A 410 -8.919 -11.907 4.043 1.00 0.00 H new ATOM 1266 N ALA A 411 -8.632 -7.969 4.536 1.00 0.00 N ATOM 1267 CA ALA A 411 -8.916 -7.132 5.687 1.00 0.00 C ATOM 1268 C ALA A 411 -10.412 -7.076 5.964 1.00 0.00 C ATOM 1269 O ALA A 411 -11.189 -7.850 5.400 1.00 0.00 O ATOM 1270 CB ALA A 411 -8.356 -5.734 5.474 1.00 0.00 C ATOM 0 H ALA A 411 -8.612 -7.471 3.646 1.00 0.00 H new ATOM 0 HA ALA A 411 -8.430 -7.572 6.558 1.00 0.00 H new ATOM 0 HB1 ALA A 411 -8.576 -5.117 6.345 1.00 0.00 H new ATOM 0 HB2 ALA A 411 -7.277 -5.792 5.334 1.00 0.00 H new ATOM 0 HB3 ALA A 411 -8.813 -5.290 4.590 1.00 0.00 H new ATOM 1276 N LEU A 412 -10.806 -6.163 6.839 1.00 0.00 N ATOM 1277 CA LEU A 412 -12.206 -5.993 7.186 1.00 0.00 C ATOM 1278 C LEU A 412 -12.998 -5.523 5.971 1.00 0.00 C ATOM 1279 O LEU A 412 -12.689 -4.479 5.391 1.00 0.00 O ATOM 1280 CB LEU A 412 -12.361 -4.981 8.327 1.00 0.00 C ATOM 1281 CG LEU A 412 -11.100 -4.733 9.157 1.00 0.00 C ATOM 1282 CD1 LEU A 412 -11.145 -3.350 9.785 1.00 0.00 C ATOM 1283 CD2 LEU A 412 -10.958 -5.798 10.230 1.00 0.00 C ATOM 0 H LEU A 412 -10.172 -5.527 7.323 1.00 0.00 H new ATOM 0 HA LEU A 412 -12.595 -6.956 7.516 1.00 0.00 H new ATOM 0 HB2 LEU A 412 -12.691 -4.031 7.906 1.00 0.00 H new ATOM 0 HB3 LEU A 412 -13.152 -5.327 8.993 1.00 0.00 H new ATOM 0 HG LEU A 412 -10.233 -4.786 8.499 1.00 0.00 H new ATOM 0 HD11 LEU A 412 -10.241 -3.188 10.373 1.00 0.00 H new ATOM 0 HD12 LEU A 412 -11.208 -2.596 9.000 1.00 0.00 H new ATOM 0 HD13 LEU A 412 -12.018 -3.273 10.433 1.00 0.00 H new ATOM 0 HD21 LEU A 412 -10.057 -5.609 10.813 1.00 0.00 H new ATOM 0 HD22 LEU A 412 -11.827 -5.771 10.887 1.00 0.00 H new ATOM 0 HD23 LEU A 412 -10.888 -6.780 9.761 1.00 0.00 H new ATOM 1295 N PRO A 413 -14.013 -6.300 5.567 1.00 0.00 N ATOM 1296 CA PRO A 413 -14.872 -5.955 4.435 1.00 0.00 C ATOM 1297 C PRO A 413 -15.540 -4.600 4.624 1.00 0.00 C ATOM 1298 O PRO A 413 -16.169 -4.338 5.651 1.00 0.00 O ATOM 1299 CB PRO A 413 -15.920 -7.073 4.399 1.00 0.00 C ATOM 1300 CG PRO A 413 -15.814 -7.765 5.716 1.00 0.00 C ATOM 1301 CD PRO A 413 -14.399 -7.577 6.182 1.00 0.00 C ATOM 0 HA PRO A 413 -14.305 -5.875 3.508 1.00 0.00 H new ATOM 0 HB2 PRO A 413 -16.921 -6.668 4.249 1.00 0.00 H new ATOM 0 HB3 PRO A 413 -15.729 -7.763 3.577 1.00 0.00 H new ATOM 0 HG2 PRO A 413 -16.518 -7.344 6.434 1.00 0.00 H new ATOM 0 HG3 PRO A 413 -16.053 -8.824 5.618 1.00 0.00 H new ATOM 0 HD2 PRO A 413 -14.335 -7.537 7.269 1.00 0.00 H new ATOM 0 HD3 PRO A 413 -13.755 -8.393 5.855 1.00 0.00 H new ATOM 1309 N THR A 414 -15.391 -3.745 3.628 1.00 0.00 N ATOM 1310 CA THR A 414 -15.895 -2.387 3.704 1.00 0.00 C ATOM 1311 C THR A 414 -17.363 -2.309 3.290 1.00 0.00 C ATOM 1312 O THR A 414 -17.878 -3.206 2.614 1.00 0.00 O ATOM 1313 CB THR A 414 -15.055 -1.447 2.819 1.00 0.00 C ATOM 1314 OG1 THR A 414 -14.952 -1.973 1.488 1.00 0.00 O ATOM 1315 CG2 THR A 414 -13.661 -1.264 3.407 1.00 0.00 C ATOM 0 H THR A 414 -14.921 -3.970 2.751 1.00 0.00 H new ATOM 0 HA THR A 414 -15.816 -2.069 4.744 1.00 0.00 H new ATOM 0 HB THR A 414 -15.554 -0.478 2.782 1.00 0.00 H new ATOM 0 HG1 THR A 414 -14.331 -2.731 1.483 1.00 0.00 H new ATOM 0 HG21 THR A 414 -13.082 -0.597 2.769 1.00 0.00 H new ATOM 0 HG22 THR A 414 -13.741 -0.833 4.405 1.00 0.00 H new ATOM 0 HG23 THR A 414 -13.162 -2.231 3.469 1.00 0.00 H new ATOM 1323 N SER A 415 -18.019 -1.216 3.689 1.00 0.00 N ATOM 1324 CA SER A 415 -19.432 -0.985 3.392 1.00 0.00 C ATOM 1325 C SER A 415 -20.317 -2.026 4.085 1.00 0.00 C ATOM 1326 O SER A 415 -19.987 -2.506 5.168 1.00 0.00 O ATOM 1327 CB SER A 415 -19.677 -0.977 1.874 1.00 0.00 C ATOM 1328 OG SER A 415 -18.567 -0.424 1.184 1.00 0.00 O ATOM 0 H SER A 415 -17.584 -0.467 4.227 1.00 0.00 H new ATOM 0 HA SER A 415 -19.702 -0.004 3.783 1.00 0.00 H new ATOM 0 HB2 SER A 415 -19.857 -1.994 1.525 1.00 0.00 H new ATOM 0 HB3 SER A 415 -20.574 -0.400 1.650 1.00 0.00 H new ATOM 0 HG SER A 415 -18.400 -0.939 0.367 1.00 0.00 H new