USER MOD reduce.3.24.130724 H: found=0, std=0, add=600, rem=0, adj=25 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 84 SER OG : rot 75:sc= 0.948 USER MOD Set 1.2: A 415 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 115 CYS SG : rot -152:sc= 1.07 USER MOD Set 2.2: A 118 CYS SG : rot 123:sc= 0.144 USER MOD Set 2.3: A 137 CYS SG : rot -56:sc= -0.947! USER MOD Set 2.4: A 139 HIS : no HD1:sc= 0 X(o=0.27,f=0.25) USER MOD Set 3.1: A 108 TYR OH : rot 30:sc= 1.01 USER MOD Set 3.2: A 130 TYR OH : rot -21:sc= 1.19 USER MOD Set 4.1: A 92 GLN : amide:sc= -0.0291 X(o=-0.73,f=-0.7) USER MOD Set 4.2: A 93 SER OG : rot 140:sc= -0.698 USER MOD Set 5.1: A 87 CYS SG : rot -95:sc= 1.13 USER MOD Set 5.2: A 90 CYS SG : rot 180:sc= -0.246! USER MOD Set 5.3: A 109 HIS : no HE2:sc= -2.65 X(o=-9,f=-8.6) USER MOD Set 5.4: A 111 LYS NZ :NH3+ 147:sc= 0.0263 (180deg=-2.43!) USER MOD Set 5.5: A 112 CYS SG : rot -146:sc= -7.23! USER MOD Set 6.1: A 88 SER OG : rot 103:sc= 1.15 USER MOD Set 6.2: A 106 ASN : amide:sc= 1.31 K(o=2.5,f=-3!) USER MOD Single : A 83 ASN : amide:sc= -1.03 K(o=-1,f=-2.3!) USER MOD Single : A 97 SER OG : rot 180:sc= 0.0659 USER MOD Single : A 101 MET CE :methyl -119:sc= -0.329 (180deg=-4.21!) USER MOD Single : A 104 GLN : amide:sc= -0.0212 X(o=-0.021,f=-0.34) USER MOD Single : A 114 THR OG1 : rot -72:sc= 0.476 USER MOD Single : A 116 SER OG : rot 180:sc= 0.00878 USER MOD Single : A 117 THR OG1 : rot -122:sc= 0.0595 USER MOD Single : A 120 ASN :FLIP amide:sc= -1.24 F(o=-4!,f=-1.2) USER MOD Single : A 129 HIS : no HE2:sc= -0.482 K(o=-0.48,f=-1.4) USER MOD Single : A 132 ASN : amide:sc= -0.0253 X(o=-0.025,f=-0.27) USER MOD Single : A 134 SER OG : rot 67:sc= 1.14 USER MOD Single : A 143 THR OG1 : rot 180:sc= 0.0968 USER MOD Single : A 208 SER OG : rot 180:sc= 0.022 USER MOD Single : A 414 THR OG1 : rot -55:sc= 0.354 USER MOD ----------------------------------------------------------------- ATOM 61 N ARG A 79 -16.345 6.812 -4.747 1.00 0.00 N ATOM 62 CA ARG A 79 -15.427 5.767 -5.181 1.00 0.00 C ATOM 63 C ARG A 79 -15.190 4.756 -4.070 1.00 0.00 C ATOM 64 O ARG A 79 -14.822 3.610 -4.321 1.00 0.00 O ATOM 65 CB ARG A 79 -14.100 6.391 -5.615 1.00 0.00 C ATOM 66 CG ARG A 79 -13.167 5.435 -6.339 1.00 0.00 C ATOM 67 CD ARG A 79 -11.766 6.021 -6.462 1.00 0.00 C ATOM 68 NE ARG A 79 -10.835 5.113 -7.136 1.00 0.00 N ATOM 69 CZ ARG A 79 -10.637 5.087 -8.458 1.00 0.00 C ATOM 70 NH1 ARG A 79 -11.309 5.909 -9.251 1.00 0.00 N ATOM 71 NH2 ARG A 79 -9.751 4.246 -8.982 1.00 0.00 N ATOM 0 HA ARG A 79 -15.874 5.244 -6.027 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -14.307 7.241 -6.266 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -13.590 6.781 -4.734 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -13.122 4.488 -5.800 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -13.562 5.219 -7.332 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -11.816 6.960 -7.013 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -11.385 6.255 -5.468 1.00 0.00 H new ATOM 0 HE ARG A 79 -10.304 4.459 -6.560 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -11.981 6.565 -8.853 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -11.154 5.885 -10.259 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -9.222 3.620 -8.375 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -9.601 4.227 -9.991 1.00 0.00 H new ATOM 85 N LEU A 80 -15.431 5.183 -2.840 1.00 0.00 N ATOM 86 CA LEU A 80 -15.163 4.351 -1.676 1.00 0.00 C ATOM 87 C LEU A 80 -16.320 3.395 -1.390 1.00 0.00 C ATOM 88 O LEU A 80 -16.360 2.775 -0.329 1.00 0.00 O ATOM 89 CB LEU A 80 -14.900 5.234 -0.457 1.00 0.00 C ATOM 90 CG LEU A 80 -13.432 5.582 -0.203 1.00 0.00 C ATOM 91 CD1 LEU A 80 -12.933 6.623 -1.201 1.00 0.00 C ATOM 92 CD2 LEU A 80 -13.251 6.089 1.219 1.00 0.00 C ATOM 0 H LEU A 80 -15.813 6.103 -2.621 1.00 0.00 H new ATOM 0 HA LEU A 80 -14.279 3.749 -1.889 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -15.461 6.161 -0.574 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -15.295 4.732 0.426 1.00 0.00 H new ATOM 0 HG LEU A 80 -12.841 4.676 -0.336 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -11.887 6.851 -0.996 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -13.028 6.231 -2.214 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -13.528 7.532 -1.107 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -12.202 6.333 1.387 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -13.860 6.981 1.368 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -13.561 5.317 1.923 1.00 0.00 H new ATOM 104 N PHE A 81 -17.258 3.306 -2.340 1.00 0.00 N ATOM 105 CA PHE A 81 -18.405 2.390 -2.258 1.00 0.00 C ATOM 106 C PHE A 81 -19.118 2.494 -0.914 1.00 0.00 C ATOM 107 O PHE A 81 -18.849 1.727 0.004 1.00 0.00 O ATOM 108 CB PHE A 81 -17.951 0.949 -2.494 1.00 0.00 C ATOM 109 CG PHE A 81 -18.419 0.369 -3.796 1.00 0.00 C ATOM 110 CD1 PHE A 81 -18.545 1.166 -4.923 1.00 0.00 C ATOM 111 CD2 PHE A 81 -18.727 -0.979 -3.895 1.00 0.00 C ATOM 112 CE1 PHE A 81 -18.971 0.627 -6.124 1.00 0.00 C ATOM 113 CE2 PHE A 81 -19.152 -1.521 -5.091 1.00 0.00 C ATOM 114 CZ PHE A 81 -19.275 -0.717 -6.208 1.00 0.00 C ATOM 0 H PHE A 81 -17.244 3.869 -3.191 1.00 0.00 H new ATOM 0 HA PHE A 81 -19.111 2.681 -3.036 1.00 0.00 H new ATOM 0 HB2 PHE A 81 -16.862 0.912 -2.462 1.00 0.00 H new ATOM 0 HB3 PHE A 81 -18.316 0.325 -1.678 1.00 0.00 H new ATOM 0 HD1 PHE A 81 -18.308 2.218 -4.863 1.00 0.00 H new ATOM 0 HD2 PHE A 81 -18.633 -1.613 -3.026 1.00 0.00 H new ATOM 0 HE1 PHE A 81 -19.066 1.258 -6.996 1.00 0.00 H new ATOM 0 HE2 PHE A 81 -19.388 -2.573 -5.154 1.00 0.00 H new ATOM 0 HZ PHE A 81 -19.608 -1.139 -7.145 1.00 0.00 H new ATOM 124 N GLY A 82 -20.023 3.455 -0.797 1.00 0.00 N ATOM 125 CA GLY A 82 -20.668 3.703 0.481 1.00 0.00 C ATOM 126 C GLY A 82 -19.799 4.560 1.371 1.00 0.00 C ATOM 127 O GLY A 82 -20.263 5.119 2.361 1.00 0.00 O ATOM 0 H GLY A 82 -20.322 4.065 -1.558 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -21.626 4.197 0.319 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -20.878 2.755 0.976 1.00 0.00 H new ATOM 131 N ASN A 83 -18.524 4.626 1.004 1.00 0.00 N ATOM 132 CA ASN A 83 -17.539 5.474 1.659 1.00 0.00 C ATOM 133 C ASN A 83 -17.193 4.951 3.040 1.00 0.00 C ATOM 134 O ASN A 83 -17.286 5.669 4.040 1.00 0.00 O ATOM 135 CB ASN A 83 -18.017 6.927 1.729 1.00 0.00 C ATOM 136 CG ASN A 83 -16.923 7.914 1.372 1.00 0.00 C ATOM 137 OD1 ASN A 83 -16.480 7.973 0.225 1.00 0.00 O ATOM 138 ND2 ASN A 83 -16.477 8.689 2.345 1.00 0.00 N ATOM 0 H ASN A 83 -18.141 4.082 0.230 1.00 0.00 H new ATOM 0 HA ASN A 83 -16.632 5.448 1.055 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -18.860 7.062 1.051 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -18.380 7.139 2.735 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -15.739 9.368 2.159 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -16.871 8.609 3.282 1.00 0.00 H new ATOM 145 N SER A 84 -16.792 3.689 3.081 1.00 0.00 N ATOM 146 CA SER A 84 -16.367 3.054 4.316 1.00 0.00 C ATOM 147 C SER A 84 -14.848 2.917 4.353 1.00 0.00 C ATOM 148 O SER A 84 -14.192 3.447 5.249 1.00 0.00 O ATOM 149 CB SER A 84 -17.027 1.684 4.438 1.00 0.00 C ATOM 150 OG SER A 84 -17.856 1.443 3.313 1.00 0.00 O ATOM 0 H SER A 84 -16.753 3.081 2.263 1.00 0.00 H new ATOM 0 HA SER A 84 -16.672 3.675 5.158 1.00 0.00 H new ATOM 0 HB2 SER A 84 -16.264 0.909 4.511 1.00 0.00 H new ATOM 0 HB3 SER A 84 -17.618 1.636 5.353 1.00 0.00 H new ATOM 0 HG SER A 84 -17.299 1.232 2.535 1.00 0.00 H new ATOM 156 N GLY A 85 -14.288 2.225 3.366 1.00 0.00 N ATOM 157 CA GLY A 85 -12.855 2.013 3.334 1.00 0.00 C ATOM 158 C GLY A 85 -12.342 1.761 1.936 1.00 0.00 C ATOM 159 O GLY A 85 -13.011 1.107 1.134 1.00 0.00 O ATOM 0 H GLY A 85 -14.801 1.808 2.589 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -12.352 2.885 3.751 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -12.602 1.165 3.970 1.00 0.00 H new ATOM 163 N ALA A 86 -11.162 2.285 1.648 1.00 0.00 N ATOM 164 CA ALA A 86 -10.531 2.126 0.347 1.00 0.00 C ATOM 165 C ALA A 86 -9.020 2.247 0.492 1.00 0.00 C ATOM 166 O ALA A 86 -8.531 2.616 1.560 1.00 0.00 O ATOM 167 CB ALA A 86 -11.050 3.170 -0.629 1.00 0.00 C ATOM 0 H ALA A 86 -10.613 2.833 2.310 1.00 0.00 H new ATOM 0 HA ALA A 86 -10.776 1.139 -0.045 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -10.567 3.035 -1.597 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -12.128 3.057 -0.743 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -10.828 4.167 -0.248 1.00 0.00 H new ATOM 173 N CYS A 87 -8.285 1.945 -0.575 1.00 0.00 N ATOM 174 CA CYS A 87 -6.832 2.031 -0.535 1.00 0.00 C ATOM 175 C CYS A 87 -6.379 3.375 -1.089 1.00 0.00 C ATOM 176 O CYS A 87 -7.000 3.925 -2.000 1.00 0.00 O ATOM 177 CB CYS A 87 -6.193 0.851 -1.289 1.00 0.00 C ATOM 178 SG CYS A 87 -5.299 1.269 -2.822 1.00 0.00 S ATOM 0 H CYS A 87 -8.669 1.641 -1.470 1.00 0.00 H new ATOM 0 HA CYS A 87 -6.497 1.964 0.500 1.00 0.00 H new ATOM 0 HB2 CYS A 87 -5.501 0.347 -0.614 1.00 0.00 H new ATOM 0 HB3 CYS A 87 -6.977 0.135 -1.534 1.00 0.00 H new ATOM 0 HG CYS A 87 -6.092 1.120 -3.841 1.00 0.00 H new ATOM 183 N SER A 88 -5.310 3.915 -0.524 1.00 0.00 N ATOM 184 CA SER A 88 -4.853 5.250 -0.887 1.00 0.00 C ATOM 185 C SER A 88 -4.012 5.240 -2.164 1.00 0.00 C ATOM 186 O SER A 88 -3.451 6.265 -2.550 1.00 0.00 O ATOM 187 CB SER A 88 -4.057 5.862 0.265 1.00 0.00 C ATOM 188 OG SER A 88 -4.863 5.996 1.427 1.00 0.00 O ATOM 0 H SER A 88 -4.743 3.452 0.186 1.00 0.00 H new ATOM 0 HA SER A 88 -5.736 5.859 -1.083 1.00 0.00 H new ATOM 0 HB2 SER A 88 -3.193 5.236 0.488 1.00 0.00 H new ATOM 0 HB3 SER A 88 -3.675 6.839 -0.031 1.00 0.00 H new ATOM 0 HG SER A 88 -4.639 5.286 2.064 1.00 0.00 H new ATOM 194 N ALA A 89 -3.926 4.089 -2.819 1.00 0.00 N ATOM 195 CA ALA A 89 -3.167 3.984 -4.053 1.00 0.00 C ATOM 196 C ALA A 89 -4.083 4.112 -5.267 1.00 0.00 C ATOM 197 O ALA A 89 -3.927 5.030 -6.075 1.00 0.00 O ATOM 198 CB ALA A 89 -2.390 2.680 -4.091 1.00 0.00 C ATOM 0 H ALA A 89 -4.370 3.222 -2.517 1.00 0.00 H new ATOM 0 HA ALA A 89 -2.452 4.806 -4.087 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -1.827 2.619 -5.023 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -1.701 2.643 -3.248 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -3.084 1.841 -4.030 1.00 0.00 H new ATOM 204 N CYS A 90 -5.057 3.216 -5.382 1.00 0.00 N ATOM 205 CA CYS A 90 -5.998 3.275 -6.492 1.00 0.00 C ATOM 206 C CYS A 90 -7.228 4.077 -6.093 1.00 0.00 C ATOM 207 O CYS A 90 -7.784 4.820 -6.898 1.00 0.00 O ATOM 208 CB CYS A 90 -6.406 1.873 -6.965 1.00 0.00 C ATOM 209 SG CYS A 90 -7.467 0.948 -5.807 1.00 0.00 S ATOM 0 H CYS A 90 -5.214 2.449 -4.728 1.00 0.00 H new ATOM 0 HA CYS A 90 -5.500 3.771 -7.325 1.00 0.00 H new ATOM 0 HB2 CYS A 90 -6.927 1.965 -7.918 1.00 0.00 H new ATOM 0 HB3 CYS A 90 -5.503 1.291 -7.151 1.00 0.00 H new ATOM 0 HG CYS A 90 -7.748 -0.217 -6.312 1.00 0.00 H new ATOM 214 N GLY A 91 -7.637 3.931 -4.843 1.00 0.00 N ATOM 215 CA GLY A 91 -8.795 4.640 -4.349 1.00 0.00 C ATOM 216 C GLY A 91 -10.045 3.788 -4.364 1.00 0.00 C ATOM 217 O GLY A 91 -11.108 4.231 -3.932 1.00 0.00 O ATOM 0 H GLY A 91 -7.182 3.328 -4.157 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -8.603 4.979 -3.331 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -8.959 5.530 -4.956 1.00 0.00 H new ATOM 221 N GLN A 92 -9.932 2.569 -4.877 1.00 0.00 N ATOM 222 CA GLN A 92 -11.079 1.678 -4.948 1.00 0.00 C ATOM 223 C GLN A 92 -11.312 0.995 -3.605 1.00 0.00 C ATOM 224 O GLN A 92 -10.405 0.908 -2.771 1.00 0.00 O ATOM 225 CB GLN A 92 -10.907 0.638 -6.060 1.00 0.00 C ATOM 226 CG GLN A 92 -11.878 0.830 -7.217 1.00 0.00 C ATOM 227 CD GLN A 92 -12.998 -0.193 -7.236 1.00 0.00 C ATOM 228 OE1 GLN A 92 -12.924 -1.197 -7.943 1.00 0.00 O ATOM 229 NE2 GLN A 92 -14.050 0.058 -6.469 1.00 0.00 N ATOM 0 H GLN A 92 -9.065 2.179 -5.247 1.00 0.00 H new ATOM 0 HA GLN A 92 -11.956 2.280 -5.187 1.00 0.00 H new ATOM 0 HB2 GLN A 92 -9.886 0.687 -6.439 1.00 0.00 H new ATOM 0 HB3 GLN A 92 -11.044 -0.359 -5.641 1.00 0.00 H new ATOM 0 HG2 GLN A 92 -12.309 1.829 -7.159 1.00 0.00 H new ATOM 0 HG3 GLN A 92 -11.328 0.774 -8.157 1.00 0.00 H new ATOM 0 HE21 GLN A 92 -14.074 0.902 -5.897 1.00 0.00 H new ATOM 0 HE22 GLN A 92 -14.835 -0.593 -6.451 1.00 0.00 H new ATOM 238 N SER A 93 -12.532 0.518 -3.418 1.00 0.00 N ATOM 239 CA SER A 93 -12.980 -0.047 -2.156 1.00 0.00 C ATOM 240 C SER A 93 -12.268 -1.358 -1.811 1.00 0.00 C ATOM 241 O SER A 93 -11.630 -1.987 -2.662 1.00 0.00 O ATOM 242 CB SER A 93 -14.486 -0.270 -2.254 1.00 0.00 C ATOM 243 OG SER A 93 -14.980 0.244 -3.485 1.00 0.00 O ATOM 0 H SER A 93 -13.246 0.512 -4.146 1.00 0.00 H new ATOM 0 HA SER A 93 -12.737 0.649 -1.353 1.00 0.00 H new ATOM 0 HB2 SER A 93 -14.709 -1.334 -2.180 1.00 0.00 H new ATOM 0 HB3 SER A 93 -14.988 0.219 -1.420 1.00 0.00 H new ATOM 0 HG SER A 93 -15.652 -0.369 -3.850 1.00 0.00 H new ATOM 249 N ILE A 94 -12.386 -1.765 -0.555 1.00 0.00 N ATOM 250 CA ILE A 94 -11.778 -2.998 -0.079 1.00 0.00 C ATOM 251 C ILE A 94 -12.848 -4.015 0.311 1.00 0.00 C ATOM 252 O ILE A 94 -13.442 -3.927 1.388 1.00 0.00 O ATOM 253 CB ILE A 94 -10.860 -2.753 1.140 1.00 0.00 C ATOM 254 CG1 ILE A 94 -9.845 -1.652 0.840 1.00 0.00 C ATOM 255 CG2 ILE A 94 -10.143 -4.038 1.532 1.00 0.00 C ATOM 256 CD1 ILE A 94 -9.341 -0.947 2.080 1.00 0.00 C ATOM 0 H ILE A 94 -12.903 -1.252 0.159 1.00 0.00 H new ATOM 0 HA ILE A 94 -11.177 -3.388 -0.900 1.00 0.00 H new ATOM 0 HB ILE A 94 -11.481 -2.430 1.975 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -8.998 -2.084 0.307 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -10.301 -0.919 0.174 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -9.501 -3.848 2.392 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -10.878 -4.801 1.789 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -9.537 -4.386 0.696 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -8.624 -0.177 1.795 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -10.179 -0.486 2.603 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -8.856 -1.669 2.737 1.00 0.00 H new ATOM 268 N PRO A 95 -13.132 -4.978 -0.574 1.00 0.00 N ATOM 269 CA PRO A 95 -14.042 -6.074 -0.275 1.00 0.00 C ATOM 270 C PRO A 95 -13.374 -7.121 0.606 1.00 0.00 C ATOM 271 O PRO A 95 -12.151 -7.196 0.665 1.00 0.00 O ATOM 272 CB PRO A 95 -14.371 -6.672 -1.655 1.00 0.00 C ATOM 273 CG PRO A 95 -13.707 -5.782 -2.660 1.00 0.00 C ATOM 274 CD PRO A 95 -12.603 -5.073 -1.936 1.00 0.00 C ATOM 0 HA PRO A 95 -14.925 -5.738 0.269 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -14.002 -7.694 -1.735 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -15.448 -6.708 -1.818 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -13.313 -6.364 -3.493 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -14.418 -5.069 -3.077 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -11.669 -5.633 -1.971 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -12.402 -4.091 -2.363 1.00 0.00 H new ATOM 282 N ALA A 96 -14.174 -7.934 1.283 1.00 0.00 N ATOM 283 CA ALA A 96 -13.637 -8.976 2.158 1.00 0.00 C ATOM 284 C ALA A 96 -12.979 -10.089 1.348 1.00 0.00 C ATOM 285 O ALA A 96 -12.309 -10.964 1.896 1.00 0.00 O ATOM 286 CB ALA A 96 -14.732 -9.543 3.053 1.00 0.00 C ATOM 0 H ALA A 96 -15.193 -7.895 1.246 1.00 0.00 H new ATOM 0 HA ALA A 96 -12.874 -8.522 2.790 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -14.312 -10.316 3.696 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -15.148 -8.746 3.669 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -15.520 -9.973 2.435 1.00 0.00 H new ATOM 292 N SER A 97 -13.180 -10.043 0.041 1.00 0.00 N ATOM 293 CA SER A 97 -12.622 -11.027 -0.867 1.00 0.00 C ATOM 294 C SER A 97 -11.187 -10.663 -1.256 1.00 0.00 C ATOM 295 O SER A 97 -10.450 -11.487 -1.807 1.00 0.00 O ATOM 296 CB SER A 97 -13.512 -11.102 -2.108 1.00 0.00 C ATOM 297 OG SER A 97 -14.510 -10.092 -2.058 1.00 0.00 O ATOM 0 H SER A 97 -13.735 -9.321 -0.419 1.00 0.00 H new ATOM 0 HA SER A 97 -12.589 -11.999 -0.374 1.00 0.00 H new ATOM 0 HB2 SER A 97 -12.907 -10.981 -3.006 1.00 0.00 H new ATOM 0 HB3 SER A 97 -13.981 -12.084 -2.169 1.00 0.00 H new ATOM 0 HG SER A 97 -15.073 -10.148 -2.858 1.00 0.00 H new ATOM 303 N GLU A 98 -10.794 -9.434 -0.955 1.00 0.00 N ATOM 304 CA GLU A 98 -9.464 -8.955 -1.293 1.00 0.00 C ATOM 305 C GLU A 98 -8.694 -8.616 -0.022 1.00 0.00 C ATOM 306 O GLU A 98 -9.278 -8.200 0.980 1.00 0.00 O ATOM 307 CB GLU A 98 -9.563 -7.731 -2.218 1.00 0.00 C ATOM 308 CG GLU A 98 -8.249 -6.986 -2.423 1.00 0.00 C ATOM 309 CD GLU A 98 -7.248 -7.761 -3.261 1.00 0.00 C ATOM 310 OE1 GLU A 98 -7.102 -8.988 -3.049 1.00 0.00 O ATOM 311 OE2 GLU A 98 -6.601 -7.143 -4.136 1.00 0.00 O ATOM 0 H GLU A 98 -11.380 -8.750 -0.476 1.00 0.00 H new ATOM 0 HA GLU A 98 -8.924 -9.740 -1.822 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -9.938 -8.055 -3.189 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -10.298 -7.039 -1.807 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -8.452 -6.029 -2.904 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -7.807 -6.767 -1.451 1.00 0.00 H new ATOM 318 N LEU A 99 -7.389 -8.809 -0.067 1.00 0.00 N ATOM 319 CA LEU A 99 -6.535 -8.535 1.073 1.00 0.00 C ATOM 320 C LEU A 99 -5.696 -7.294 0.804 1.00 0.00 C ATOM 321 O LEU A 99 -5.237 -7.077 -0.317 1.00 0.00 O ATOM 322 CB LEU A 99 -5.633 -9.736 1.366 1.00 0.00 C ATOM 323 CG LEU A 99 -6.362 -11.072 1.515 1.00 0.00 C ATOM 324 CD1 LEU A 99 -5.711 -12.132 0.641 1.00 0.00 C ATOM 325 CD2 LEU A 99 -6.378 -11.509 2.973 1.00 0.00 C ATOM 0 H LEU A 99 -6.894 -9.157 -0.888 1.00 0.00 H new ATOM 0 HA LEU A 99 -7.161 -8.356 1.947 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -4.902 -9.826 0.563 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -5.077 -9.539 2.283 1.00 0.00 H new ATOM 0 HG LEU A 99 -7.393 -10.944 1.186 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -6.242 -13.077 0.759 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -5.753 -11.820 -0.402 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -4.671 -12.261 0.939 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -6.901 -12.461 3.062 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -5.354 -11.622 3.330 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -6.891 -10.757 3.573 1.00 0.00 H new ATOM 337 N VAL A 100 -5.503 -6.481 1.829 1.00 0.00 N ATOM 338 CA VAL A 100 -4.764 -5.238 1.684 1.00 0.00 C ATOM 339 C VAL A 100 -3.484 -5.262 2.506 1.00 0.00 C ATOM 340 O VAL A 100 -3.459 -5.762 3.631 1.00 0.00 O ATOM 341 CB VAL A 100 -5.607 -4.011 2.098 1.00 0.00 C ATOM 342 CG1 VAL A 100 -6.309 -3.420 0.885 1.00 0.00 C ATOM 343 CG2 VAL A 100 -6.617 -4.370 3.183 1.00 0.00 C ATOM 0 H VAL A 100 -5.848 -6.660 2.772 1.00 0.00 H new ATOM 0 HA VAL A 100 -4.516 -5.148 0.626 1.00 0.00 H new ATOM 0 HB VAL A 100 -4.931 -3.262 2.512 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -6.899 -2.556 1.191 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -5.566 -3.110 0.150 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -6.965 -4.170 0.443 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -7.193 -3.484 3.451 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -7.290 -5.143 2.812 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -6.090 -4.740 4.063 1.00 0.00 H new ATOM 353 N MET A 101 -2.421 -4.731 1.931 1.00 0.00 N ATOM 354 CA MET A 101 -1.147 -4.631 2.614 1.00 0.00 C ATOM 355 C MET A 101 -1.115 -3.364 3.454 1.00 0.00 C ATOM 356 O MET A 101 -1.303 -2.260 2.936 1.00 0.00 O ATOM 357 CB MET A 101 0.001 -4.617 1.602 1.00 0.00 C ATOM 358 CG MET A 101 0.540 -6.000 1.273 1.00 0.00 C ATOM 359 SD MET A 101 0.104 -6.539 -0.393 1.00 0.00 S ATOM 360 CE MET A 101 1.706 -7.050 -1.005 1.00 0.00 C ATOM 0 H MET A 101 -2.417 -4.359 0.981 1.00 0.00 H new ATOM 0 HA MET A 101 -1.026 -5.498 3.264 1.00 0.00 H new ATOM 0 HB2 MET A 101 -0.342 -4.142 0.683 1.00 0.00 H new ATOM 0 HB3 MET A 101 0.812 -4.004 1.994 1.00 0.00 H new ATOM 0 HG2 MET A 101 1.625 -5.997 1.377 1.00 0.00 H new ATOM 0 HG3 MET A 101 0.152 -6.718 1.996 1.00 0.00 H new ATOM 0 HE1 MET A 101 1.973 -6.447 -1.873 1.00 0.00 H new ATOM 0 HE2 MET A 101 2.454 -6.914 -0.224 1.00 0.00 H new ATOM 0 HE3 MET A 101 1.668 -8.101 -1.291 1.00 0.00 H new ATOM 370 N ARG A 102 -0.898 -3.523 4.746 1.00 0.00 N ATOM 371 CA ARG A 102 -0.874 -2.391 5.655 1.00 0.00 C ATOM 372 C ARG A 102 0.528 -2.203 6.226 1.00 0.00 C ATOM 373 O ARG A 102 1.236 -3.174 6.494 1.00 0.00 O ATOM 374 CB ARG A 102 -1.916 -2.592 6.767 1.00 0.00 C ATOM 375 CG ARG A 102 -1.333 -2.752 8.161 1.00 0.00 C ATOM 376 CD ARG A 102 -2.411 -3.107 9.172 1.00 0.00 C ATOM 377 NE ARG A 102 -2.586 -4.553 9.307 1.00 0.00 N ATOM 378 CZ ARG A 102 -3.378 -5.132 10.209 1.00 0.00 C ATOM 379 NH1 ARG A 102 -4.082 -4.397 11.064 1.00 0.00 N ATOM 380 NH2 ARG A 102 -3.468 -6.453 10.250 1.00 0.00 N ATOM 0 H ARG A 102 -0.735 -4.426 5.191 1.00 0.00 H new ATOM 0 HA ARG A 102 -1.133 -1.483 5.111 1.00 0.00 H new ATOM 0 HB2 ARG A 102 -2.596 -1.740 6.768 1.00 0.00 H new ATOM 0 HB3 ARG A 102 -2.511 -3.475 6.533 1.00 0.00 H new ATOM 0 HG2 ARG A 102 -0.570 -3.530 8.151 1.00 0.00 H new ATOM 0 HG3 ARG A 102 -0.841 -1.827 8.460 1.00 0.00 H new ATOM 0 HD2 ARG A 102 -2.152 -2.682 10.142 1.00 0.00 H new ATOM 0 HD3 ARG A 102 -3.355 -2.655 8.868 1.00 0.00 H new ATOM 0 HE ARG A 102 -2.068 -5.158 8.669 1.00 0.00 H new ATOM 0 HH11 ARG A 102 -4.019 -3.379 11.034 1.00 0.00 H new ATOM 0 HH12 ARG A 102 -4.685 -4.851 11.750 1.00 0.00 H new ATOM 0 HH21 ARG A 102 -2.933 -7.021 9.593 1.00 0.00 H new ATOM 0 HH22 ARG A 102 -4.072 -6.902 10.938 1.00 0.00 H new ATOM 394 N ALA A 103 0.930 -0.952 6.386 1.00 0.00 N ATOM 395 CA ALA A 103 2.239 -0.643 6.943 1.00 0.00 C ATOM 396 C ALA A 103 2.096 0.145 8.236 1.00 0.00 C ATOM 397 O ALA A 103 2.258 -0.402 9.328 1.00 0.00 O ATOM 398 CB ALA A 103 3.080 0.122 5.932 1.00 0.00 C ATOM 0 H ALA A 103 0.371 -0.135 6.139 1.00 0.00 H new ATOM 0 HA ALA A 103 2.749 -1.579 7.171 1.00 0.00 H new ATOM 0 HB1 ALA A 103 4.055 0.345 6.365 1.00 0.00 H new ATOM 0 HB2 ALA A 103 3.211 -0.483 5.035 1.00 0.00 H new ATOM 0 HB3 ALA A 103 2.577 1.053 5.671 1.00 0.00 H new ATOM 404 N GLN A 104 1.787 1.429 8.108 1.00 0.00 N ATOM 405 CA GLN A 104 1.562 2.276 9.268 1.00 0.00 C ATOM 406 C GLN A 104 0.083 2.249 9.644 1.00 0.00 C ATOM 407 O GLN A 104 -0.360 1.367 10.381 1.00 0.00 O ATOM 408 CB GLN A 104 2.022 3.708 8.985 1.00 0.00 C ATOM 409 CG GLN A 104 2.868 4.306 10.102 1.00 0.00 C ATOM 410 CD GLN A 104 4.329 4.440 9.723 1.00 0.00 C ATOM 411 OE1 GLN A 104 4.877 3.606 9.004 1.00 0.00 O ATOM 412 NE2 GLN A 104 4.967 5.494 10.200 1.00 0.00 N ATOM 0 H GLN A 104 1.687 1.905 7.211 1.00 0.00 H new ATOM 0 HA GLN A 104 2.146 1.895 10.105 1.00 0.00 H new ATOM 0 HB2 GLN A 104 2.596 3.720 8.059 1.00 0.00 H new ATOM 0 HB3 GLN A 104 1.147 4.338 8.826 1.00 0.00 H new ATOM 0 HG2 GLN A 104 2.474 5.288 10.365 1.00 0.00 H new ATOM 0 HG3 GLN A 104 2.784 3.680 10.991 1.00 0.00 H new ATOM 0 HE21 GLN A 104 4.475 6.162 10.793 1.00 0.00 H new ATOM 0 HE22 GLN A 104 5.951 5.639 9.975 1.00 0.00 H new ATOM 421 N GLY A 105 -0.678 3.209 9.135 1.00 0.00 N ATOM 422 CA GLY A 105 -2.110 3.219 9.363 1.00 0.00 C ATOM 423 C GLY A 105 -2.876 3.151 8.062 1.00 0.00 C ATOM 424 O GLY A 105 -4.106 3.146 8.053 1.00 0.00 O ATOM 0 H GLY A 105 -0.329 3.982 8.568 1.00 0.00 H new ATOM 0 HA2 GLY A 105 -2.385 2.374 9.994 1.00 0.00 H new ATOM 0 HA3 GLY A 105 -2.388 4.124 9.904 1.00 0.00 H new ATOM 428 N ASN A 106 -2.137 3.092 6.964 1.00 0.00 N ATOM 429 CA ASN A 106 -2.731 3.077 5.637 1.00 0.00 C ATOM 430 C ASN A 106 -2.711 1.672 5.051 1.00 0.00 C ATOM 431 O ASN A 106 -1.974 0.801 5.524 1.00 0.00 O ATOM 432 CB ASN A 106 -1.978 4.037 4.716 1.00 0.00 C ATOM 433 CG ASN A 106 -2.904 4.797 3.789 1.00 0.00 C ATOM 434 OD1 ASN A 106 -3.745 4.206 3.113 1.00 0.00 O ATOM 435 ND2 ASN A 106 -2.758 6.113 3.749 1.00 0.00 N ATOM 0 H ASN A 106 -1.118 3.054 6.968 1.00 0.00 H new ATOM 0 HA ASN A 106 -3.769 3.400 5.722 1.00 0.00 H new ATOM 0 HB2 ASN A 106 -1.412 4.746 5.320 1.00 0.00 H new ATOM 0 HB3 ASN A 106 -1.256 3.475 4.123 1.00 0.00 H new ATOM 0 HD21 ASN A 106 -3.355 6.674 3.142 1.00 0.00 H new ATOM 0 HD22 ASN A 106 -2.048 6.565 4.325 1.00 0.00 H new ATOM 442 N VAL A 107 -3.509 1.464 4.014 1.00 0.00 N ATOM 443 CA VAL A 107 -3.624 0.164 3.372 1.00 0.00 C ATOM 444 C VAL A 107 -3.580 0.316 1.859 1.00 0.00 C ATOM 445 O VAL A 107 -4.012 1.337 1.316 1.00 0.00 O ATOM 446 CB VAL A 107 -4.935 -0.555 3.762 1.00 0.00 C ATOM 447 CG1 VAL A 107 -4.826 -1.164 5.150 1.00 0.00 C ATOM 448 CG2 VAL A 107 -6.123 0.398 3.685 1.00 0.00 C ATOM 0 H VAL A 107 -4.092 2.189 3.596 1.00 0.00 H new ATOM 0 HA VAL A 107 -2.782 -0.437 3.714 1.00 0.00 H new ATOM 0 HB VAL A 107 -5.100 -1.362 3.048 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -5.761 -1.664 5.402 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -4.011 -1.888 5.167 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -4.628 -0.377 5.878 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -7.034 -0.132 3.964 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -5.965 1.232 4.368 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -6.221 0.776 2.667 1.00 0.00 H new ATOM 458 N TYR A 108 -3.033 -0.689 1.187 1.00 0.00 N ATOM 459 CA TYR A 108 -2.977 -0.713 -0.270 1.00 0.00 C ATOM 460 C TYR A 108 -3.297 -2.116 -0.773 1.00 0.00 C ATOM 461 O TYR A 108 -2.971 -3.102 -0.112 1.00 0.00 O ATOM 462 CB TYR A 108 -1.590 -0.282 -0.772 1.00 0.00 C ATOM 463 CG TYR A 108 -0.985 0.876 0.000 1.00 0.00 C ATOM 464 CD1 TYR A 108 -1.282 2.189 -0.339 1.00 0.00 C ATOM 465 CD2 TYR A 108 -0.127 0.651 1.074 1.00 0.00 C ATOM 466 CE1 TYR A 108 -0.744 3.246 0.367 1.00 0.00 C ATOM 467 CE2 TYR A 108 0.416 1.704 1.782 1.00 0.00 C ATOM 468 CZ TYR A 108 0.104 3.000 1.426 1.00 0.00 C ATOM 469 OH TYR A 108 0.642 4.053 2.132 1.00 0.00 O ATOM 0 H TYR A 108 -2.618 -1.507 1.633 1.00 0.00 H new ATOM 0 HA TYR A 108 -3.715 -0.010 -0.656 1.00 0.00 H new ATOM 0 HB2 TYR A 108 -0.914 -1.135 -0.716 1.00 0.00 H new ATOM 0 HB3 TYR A 108 -1.666 -0.004 -1.823 1.00 0.00 H new ATOM 0 HD1 TYR A 108 -1.945 2.387 -1.169 1.00 0.00 H new ATOM 0 HD2 TYR A 108 0.117 -0.362 1.357 1.00 0.00 H new ATOM 0 HE1 TYR A 108 -0.986 4.262 0.091 1.00 0.00 H new ATOM 0 HE2 TYR A 108 1.082 1.514 2.611 1.00 0.00 H new ATOM 0 HH TYR A 108 0.021 4.811 2.113 1.00 0.00 H new ATOM 479 N HIS A 109 -3.941 -2.208 -1.929 1.00 0.00 N ATOM 480 CA HIS A 109 -4.305 -3.507 -2.498 1.00 0.00 C ATOM 481 C HIS A 109 -3.058 -4.218 -3.023 1.00 0.00 C ATOM 482 O HIS A 109 -1.993 -3.611 -3.135 1.00 0.00 O ATOM 483 CB HIS A 109 -5.316 -3.350 -3.642 1.00 0.00 C ATOM 484 CG HIS A 109 -6.673 -2.870 -3.220 1.00 0.00 C ATOM 485 ND1 HIS A 109 -7.102 -1.590 -3.483 1.00 0.00 N ATOM 486 CD2 HIS A 109 -7.667 -3.536 -2.577 1.00 0.00 C ATOM 487 CE1 HIS A 109 -8.328 -1.502 -3.008 1.00 0.00 C ATOM 488 NE2 HIS A 109 -8.719 -2.658 -2.447 1.00 0.00 N ATOM 0 H HIS A 109 -4.223 -1.405 -2.492 1.00 0.00 H new ATOM 0 HA HIS A 109 -4.764 -4.100 -1.706 1.00 0.00 H new ATOM 0 HB2 HIS A 109 -4.910 -2.651 -4.374 1.00 0.00 H new ATOM 0 HB3 HIS A 109 -5.426 -4.311 -4.145 1.00 0.00 H new ATOM 0 HD1 HIS A 109 -6.575 -0.854 -3.953 1.00 0.00 H new ATOM 0 HD2 HIS A 109 -7.637 -4.559 -2.233 1.00 0.00 H new ATOM 0 HE1 HIS A 109 -8.940 -0.614 -3.063 1.00 0.00 H new ATOM 496 N LEU A 110 -3.194 -5.497 -3.357 1.00 0.00 N ATOM 497 CA LEU A 110 -2.076 -6.271 -3.893 1.00 0.00 C ATOM 498 C LEU A 110 -1.604 -5.696 -5.229 1.00 0.00 C ATOM 499 O LEU A 110 -0.422 -5.752 -5.565 1.00 0.00 O ATOM 500 CB LEU A 110 -2.479 -7.735 -4.071 1.00 0.00 C ATOM 501 CG LEU A 110 -2.209 -8.629 -2.862 1.00 0.00 C ATOM 502 CD1 LEU A 110 -3.443 -9.453 -2.520 1.00 0.00 C ATOM 503 CD2 LEU A 110 -1.022 -9.543 -3.125 1.00 0.00 C ATOM 0 H LEU A 110 -4.065 -6.020 -3.267 1.00 0.00 H new ATOM 0 HA LEU A 110 -1.253 -6.212 -3.180 1.00 0.00 H new ATOM 0 HB2 LEU A 110 -3.543 -7.778 -4.306 1.00 0.00 H new ATOM 0 HB3 LEU A 110 -1.946 -8.141 -4.931 1.00 0.00 H new ATOM 0 HG LEU A 110 -1.971 -7.989 -2.012 1.00 0.00 H new ATOM 0 HD11 LEU A 110 -3.232 -10.084 -1.656 1.00 0.00 H new ATOM 0 HD12 LEU A 110 -4.273 -8.786 -2.288 1.00 0.00 H new ATOM 0 HD13 LEU A 110 -3.709 -10.080 -3.371 1.00 0.00 H new ATOM 0 HD21 LEU A 110 -0.846 -10.171 -2.252 1.00 0.00 H new ATOM 0 HD22 LEU A 110 -1.232 -10.173 -3.989 1.00 0.00 H new ATOM 0 HD23 LEU A 110 -0.136 -8.940 -3.323 1.00 0.00 H new ATOM 515 N LYS A 111 -2.538 -5.132 -5.981 1.00 0.00 N ATOM 516 CA LYS A 111 -2.228 -4.535 -7.276 1.00 0.00 C ATOM 517 C LYS A 111 -1.851 -3.060 -7.125 1.00 0.00 C ATOM 518 O LYS A 111 -1.572 -2.370 -8.112 1.00 0.00 O ATOM 519 CB LYS A 111 -3.426 -4.671 -8.222 1.00 0.00 C ATOM 520 CG LYS A 111 -4.676 -3.951 -7.735 1.00 0.00 C ATOM 521 CD LYS A 111 -5.454 -3.347 -8.894 1.00 0.00 C ATOM 522 CE LYS A 111 -6.248 -2.126 -8.458 1.00 0.00 C ATOM 523 NZ LYS A 111 -5.384 -0.921 -8.296 1.00 0.00 N ATOM 0 H LYS A 111 -3.521 -5.074 -5.717 1.00 0.00 H new ATOM 0 HA LYS A 111 -1.375 -5.067 -7.697 1.00 0.00 H new ATOM 0 HB2 LYS A 111 -3.150 -4.280 -9.201 1.00 0.00 H new ATOM 0 HB3 LYS A 111 -3.655 -5.728 -8.354 1.00 0.00 H new ATOM 0 HG2 LYS A 111 -5.312 -4.650 -7.192 1.00 0.00 H new ATOM 0 HG3 LYS A 111 -4.395 -3.165 -7.034 1.00 0.00 H new ATOM 0 HD2 LYS A 111 -4.764 -3.068 -9.690 1.00 0.00 H new ATOM 0 HD3 LYS A 111 -6.132 -4.094 -9.307 1.00 0.00 H new ATOM 0 HE2 LYS A 111 -7.025 -1.918 -9.194 1.00 0.00 H new ATOM 0 HE3 LYS A 111 -6.751 -2.340 -7.515 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 -5.924 -0.070 -8.552 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 -5.071 -0.849 -7.307 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 -4.553 -1.003 -8.917 1.00 0.00 H new ATOM 537 N CYS A 112 -1.853 -2.584 -5.889 1.00 0.00 N ATOM 538 CA CYS A 112 -1.592 -1.181 -5.611 1.00 0.00 C ATOM 539 C CYS A 112 -0.331 -1.001 -4.765 1.00 0.00 C ATOM 540 O CYS A 112 0.152 0.120 -4.589 1.00 0.00 O ATOM 541 CB CYS A 112 -2.802 -0.576 -4.906 1.00 0.00 C ATOM 542 SG CYS A 112 -4.388 -1.124 -5.608 1.00 0.00 S ATOM 0 H CYS A 112 -2.033 -3.151 -5.061 1.00 0.00 H new ATOM 0 HA CYS A 112 -1.422 -0.664 -6.556 1.00 0.00 H new ATOM 0 HB2 CYS A 112 -2.769 -0.841 -3.849 1.00 0.00 H new ATOM 0 HB3 CYS A 112 -2.742 0.511 -4.964 1.00 0.00 H new ATOM 0 HG CYS A 112 -5.257 -0.161 -5.521 1.00 0.00 H new ATOM 547 N PHE A 113 0.199 -2.103 -4.248 1.00 0.00 N ATOM 548 CA PHE A 113 1.442 -2.067 -3.487 1.00 0.00 C ATOM 549 C PHE A 113 2.632 -1.903 -4.427 1.00 0.00 C ATOM 550 O PHE A 113 3.435 -2.819 -4.617 1.00 0.00 O ATOM 551 CB PHE A 113 1.598 -3.331 -2.635 1.00 0.00 C ATOM 552 CG PHE A 113 2.213 -3.070 -1.286 1.00 0.00 C ATOM 553 CD1 PHE A 113 1.934 -1.899 -0.598 1.00 0.00 C ATOM 554 CD2 PHE A 113 3.072 -3.994 -0.705 1.00 0.00 C ATOM 555 CE1 PHE A 113 2.496 -1.654 0.639 1.00 0.00 C ATOM 556 CE2 PHE A 113 3.638 -3.752 0.531 1.00 0.00 C ATOM 557 CZ PHE A 113 3.348 -2.581 1.205 1.00 0.00 C ATOM 0 H PHE A 113 -0.212 -3.032 -4.342 1.00 0.00 H new ATOM 0 HA PHE A 113 1.408 -1.210 -2.815 1.00 0.00 H new ATOM 0 HB2 PHE A 113 0.619 -3.790 -2.497 1.00 0.00 H new ATOM 0 HB3 PHE A 113 2.215 -4.050 -3.174 1.00 0.00 H new ATOM 0 HD1 PHE A 113 1.269 -1.169 -1.035 1.00 0.00 H new ATOM 0 HD2 PHE A 113 3.300 -4.912 -1.226 1.00 0.00 H new ATOM 0 HE1 PHE A 113 2.269 -0.738 1.164 1.00 0.00 H new ATOM 0 HE2 PHE A 113 4.307 -4.477 0.971 1.00 0.00 H new ATOM 0 HZ PHE A 113 3.787 -2.391 2.173 1.00 0.00 H new ATOM 567 N THR A 114 2.727 -0.722 -5.012 1.00 0.00 N ATOM 568 CA THR A 114 3.773 -0.402 -5.963 1.00 0.00 C ATOM 569 C THR A 114 4.281 1.008 -5.701 1.00 0.00 C ATOM 570 O THR A 114 3.536 1.840 -5.176 1.00 0.00 O ATOM 571 CB THR A 114 3.239 -0.484 -7.407 1.00 0.00 C ATOM 572 OG1 THR A 114 1.998 0.231 -7.508 1.00 0.00 O ATOM 573 CG2 THR A 114 3.018 -1.926 -7.833 1.00 0.00 C ATOM 0 H THR A 114 2.077 0.045 -4.839 1.00 0.00 H new ATOM 0 HA THR A 114 4.583 -1.122 -5.844 1.00 0.00 H new ATOM 0 HB THR A 114 3.984 -0.037 -8.065 1.00 0.00 H new ATOM 0 HG1 THR A 114 1.292 -0.273 -7.052 1.00 0.00 H new ATOM 0 HG21 THR A 114 2.641 -1.950 -8.856 1.00 0.00 H new ATOM 0 HG22 THR A 114 3.961 -2.469 -7.781 1.00 0.00 H new ATOM 0 HG23 THR A 114 2.292 -2.395 -7.168 1.00 0.00 H new ATOM 581 N CYS A 115 5.528 1.290 -6.059 1.00 0.00 N ATOM 582 CA CYS A 115 6.075 2.621 -5.860 1.00 0.00 C ATOM 583 C CYS A 115 5.457 3.609 -6.842 1.00 0.00 C ATOM 584 O CYS A 115 5.017 3.234 -7.926 1.00 0.00 O ATOM 585 CB CYS A 115 7.593 2.616 -6.020 1.00 0.00 C ATOM 586 SG CYS A 115 8.203 1.679 -7.454 1.00 0.00 S ATOM 0 H CYS A 115 6.171 0.622 -6.484 1.00 0.00 H new ATOM 0 HA CYS A 115 5.831 2.932 -4.844 1.00 0.00 H new ATOM 0 HB2 CYS A 115 7.939 3.646 -6.102 1.00 0.00 H new ATOM 0 HB3 CYS A 115 8.039 2.201 -5.116 1.00 0.00 H new ATOM 0 HG CYS A 115 9.397 1.230 -7.203 1.00 0.00 H new ATOM 591 N SER A 116 5.417 4.871 -6.461 1.00 0.00 N ATOM 592 CA SER A 116 4.887 5.904 -7.338 1.00 0.00 C ATOM 593 C SER A 116 5.960 6.392 -8.308 1.00 0.00 C ATOM 594 O SER A 116 5.680 7.151 -9.235 1.00 0.00 O ATOM 595 CB SER A 116 4.342 7.066 -6.507 1.00 0.00 C ATOM 596 OG SER A 116 4.048 6.643 -5.184 1.00 0.00 O ATOM 0 H SER A 116 5.743 5.208 -5.555 1.00 0.00 H new ATOM 0 HA SER A 116 4.072 5.480 -7.924 1.00 0.00 H new ATOM 0 HB2 SER A 116 5.072 7.875 -6.482 1.00 0.00 H new ATOM 0 HB3 SER A 116 3.442 7.464 -6.975 1.00 0.00 H new ATOM 0 HG SER A 116 3.702 7.401 -4.668 1.00 0.00 H new ATOM 602 N THR A 117 7.191 5.942 -8.093 1.00 0.00 N ATOM 603 CA THR A 117 8.309 6.358 -8.918 1.00 0.00 C ATOM 604 C THR A 117 8.493 5.445 -10.135 1.00 0.00 C ATOM 605 O THR A 117 8.572 5.924 -11.270 1.00 0.00 O ATOM 606 CB THR A 117 9.604 6.375 -8.093 1.00 0.00 C ATOM 607 OG1 THR A 117 9.336 5.891 -6.772 1.00 0.00 O ATOM 608 CG2 THR A 117 10.180 7.781 -8.014 1.00 0.00 C ATOM 0 H THR A 117 7.436 5.287 -7.351 1.00 0.00 H new ATOM 0 HA THR A 117 8.087 7.363 -9.278 1.00 0.00 H new ATOM 0 HB THR A 117 10.334 5.731 -8.583 1.00 0.00 H new ATOM 0 HG1 THR A 117 9.586 6.575 -6.116 1.00 0.00 H new ATOM 0 HG21 THR A 117 11.097 7.766 -7.424 1.00 0.00 H new ATOM 0 HG22 THR A 117 10.401 8.141 -9.019 1.00 0.00 H new ATOM 0 HG23 THR A 117 9.456 8.445 -7.542 1.00 0.00 H new ATOM 616 N CYS A 118 8.547 4.135 -9.908 1.00 0.00 N ATOM 617 CA CYS A 118 8.768 3.191 -10.999 1.00 0.00 C ATOM 618 C CYS A 118 7.600 2.213 -11.139 1.00 0.00 C ATOM 619 O CYS A 118 7.564 1.414 -12.078 1.00 0.00 O ATOM 620 CB CYS A 118 10.080 2.425 -10.790 1.00 0.00 C ATOM 621 SG CYS A 118 11.129 3.085 -9.454 1.00 0.00 S ATOM 0 H CYS A 118 8.442 3.707 -8.988 1.00 0.00 H new ATOM 0 HA CYS A 118 8.837 3.765 -11.923 1.00 0.00 H new ATOM 0 HB2 CYS A 118 9.848 1.383 -10.572 1.00 0.00 H new ATOM 0 HB3 CYS A 118 10.647 2.438 -11.721 1.00 0.00 H new ATOM 0 HG CYS A 118 11.360 2.149 -8.582 1.00 0.00 H new ATOM 626 N ARG A 119 6.660 2.277 -10.198 1.00 0.00 N ATOM 627 CA ARG A 119 5.494 1.396 -10.191 1.00 0.00 C ATOM 628 C ARG A 119 5.925 -0.062 -10.060 1.00 0.00 C ATOM 629 O ARG A 119 5.313 -0.961 -10.641 1.00 0.00 O ATOM 630 CB ARG A 119 4.644 1.593 -11.452 1.00 0.00 C ATOM 631 CG ARG A 119 3.249 2.134 -11.169 1.00 0.00 C ATOM 632 CD ARG A 119 2.382 1.104 -10.462 1.00 0.00 C ATOM 633 NE ARG A 119 1.153 0.806 -11.199 1.00 0.00 N ATOM 634 CZ ARG A 119 0.141 0.087 -10.710 1.00 0.00 C ATOM 635 NH1 ARG A 119 0.191 -0.399 -9.472 1.00 0.00 N ATOM 636 NH2 ARG A 119 -0.927 -0.141 -11.470 1.00 0.00 N ATOM 0 H ARG A 119 6.685 2.938 -9.422 1.00 0.00 H new ATOM 0 HA ARG A 119 4.882 1.657 -9.328 1.00 0.00 H new ATOM 0 HB2 ARG A 119 5.160 2.278 -12.125 1.00 0.00 H new ATOM 0 HB3 ARG A 119 4.556 0.640 -11.973 1.00 0.00 H new ATOM 0 HG2 ARG A 119 3.324 3.031 -10.554 1.00 0.00 H new ATOM 0 HG3 ARG A 119 2.775 2.428 -12.106 1.00 0.00 H new ATOM 0 HD2 ARG A 119 2.952 0.185 -10.326 1.00 0.00 H new ATOM 0 HD3 ARG A 119 2.126 1.470 -9.468 1.00 0.00 H new ATOM 0 HE ARG A 119 1.065 1.171 -12.147 1.00 0.00 H new ATOM 0 HH11 ARG A 119 1.008 -0.223 -8.888 1.00 0.00 H new ATOM 0 HH12 ARG A 119 -0.588 -0.947 -9.108 1.00 0.00 H new ATOM 0 HH21 ARG A 119 -0.967 0.233 -12.418 1.00 0.00 H new ATOM 0 HH22 ARG A 119 -1.705 -0.690 -11.104 1.00 0.00 H new ATOM 650 N ASN A 120 6.979 -0.291 -9.289 1.00 0.00 N ATOM 651 CA ASN A 120 7.489 -1.634 -9.068 1.00 0.00 C ATOM 652 C ASN A 120 6.655 -2.329 -8.000 1.00 0.00 C ATOM 653 O ASN A 120 6.374 -1.751 -6.951 1.00 0.00 O ATOM 654 CB ASN A 120 8.961 -1.581 -8.653 1.00 0.00 C ATOM 655 CG ASN A 120 9.571 -2.957 -8.466 1.00 0.00 C ATOM 656 OD1 ASN A 120 10.597 -3.043 -7.637 1.00 0.00 O flip ATOM 657 ND2 ASN A 120 9.127 -3.934 -9.069 1.00 0.00 N flip ATOM 0 H ASN A 120 7.499 0.441 -8.805 1.00 0.00 H new ATOM 0 HA ASN A 120 7.417 -2.202 -9.996 1.00 0.00 H new ATOM 0 HB2 ASN A 120 9.527 -1.038 -9.410 1.00 0.00 H new ATOM 0 HB3 ASN A 120 9.051 -1.020 -7.723 1.00 0.00 H new ATOM 0 HD21 ASN A 120 8.333 -3.826 -9.700 1.00 0.00 H new ATOM 0 HD22 ASN A 120 9.553 -4.851 -8.937 1.00 0.00 H new ATOM 664 N ARG A 121 6.235 -3.553 -8.285 1.00 0.00 N ATOM 665 CA ARG A 121 5.398 -4.307 -7.364 1.00 0.00 C ATOM 666 C ARG A 121 6.204 -4.783 -6.158 1.00 0.00 C ATOM 667 O ARG A 121 7.129 -5.583 -6.295 1.00 0.00 O ATOM 668 CB ARG A 121 4.763 -5.500 -8.086 1.00 0.00 C ATOM 669 CG ARG A 121 3.916 -6.385 -7.185 1.00 0.00 C ATOM 670 CD ARG A 121 2.443 -6.315 -7.555 1.00 0.00 C ATOM 671 NE ARG A 121 2.155 -7.024 -8.803 1.00 0.00 N ATOM 672 CZ ARG A 121 1.880 -8.329 -8.880 1.00 0.00 C ATOM 673 NH1 ARG A 121 1.824 -9.074 -7.779 1.00 0.00 N ATOM 674 NH2 ARG A 121 1.646 -8.891 -10.060 1.00 0.00 N ATOM 0 H ARG A 121 6.461 -4.046 -9.149 1.00 0.00 H new ATOM 0 HA ARG A 121 4.607 -3.650 -7.003 1.00 0.00 H new ATOM 0 HB2 ARG A 121 4.143 -5.130 -8.902 1.00 0.00 H new ATOM 0 HB3 ARG A 121 5.553 -6.104 -8.534 1.00 0.00 H new ATOM 0 HG2 ARG A 121 4.261 -7.416 -7.258 1.00 0.00 H new ATOM 0 HG3 ARG A 121 4.046 -6.078 -6.147 1.00 0.00 H new ATOM 0 HD2 ARG A 121 1.846 -6.743 -6.749 1.00 0.00 H new ATOM 0 HD3 ARG A 121 2.144 -5.272 -7.654 1.00 0.00 H new ATOM 0 HE ARG A 121 2.165 -6.487 -9.670 1.00 0.00 H new ATOM 0 HH11 ARG A 121 1.992 -8.649 -6.867 1.00 0.00 H new ATOM 0 HH12 ARG A 121 1.613 -10.070 -7.847 1.00 0.00 H new ATOM 0 HH21 ARG A 121 1.676 -8.326 -10.909 1.00 0.00 H new ATOM 0 HH22 ARG A 121 1.436 -9.888 -10.118 1.00 0.00 H new ATOM 688 N LEU A 122 5.851 -4.280 -4.981 1.00 0.00 N ATOM 689 CA LEU A 122 6.508 -4.694 -3.751 1.00 0.00 C ATOM 690 C LEU A 122 6.026 -6.086 -3.359 1.00 0.00 C ATOM 691 O LEU A 122 4.839 -6.397 -3.482 1.00 0.00 O ATOM 692 CB LEU A 122 6.238 -3.688 -2.630 1.00 0.00 C ATOM 693 CG LEU A 122 6.153 -2.224 -3.075 1.00 0.00 C ATOM 694 CD1 LEU A 122 5.630 -1.358 -1.942 1.00 0.00 C ATOM 695 CD2 LEU A 122 7.509 -1.722 -3.549 1.00 0.00 C ATOM 0 H LEU A 122 5.114 -3.586 -4.854 1.00 0.00 H new ATOM 0 HA LEU A 122 7.585 -4.727 -3.915 1.00 0.00 H new ATOM 0 HB2 LEU A 122 5.303 -3.957 -2.139 1.00 0.00 H new ATOM 0 HB3 LEU A 122 7.027 -3.779 -1.884 1.00 0.00 H new ATOM 0 HG LEU A 122 5.458 -2.160 -3.912 1.00 0.00 H new ATOM 0 HD11 LEU A 122 5.575 -0.321 -2.272 1.00 0.00 H new ATOM 0 HD12 LEU A 122 4.636 -1.700 -1.652 1.00 0.00 H new ATOM 0 HD13 LEU A 122 6.303 -1.431 -1.088 1.00 0.00 H new ATOM 0 HD21 LEU A 122 7.423 -0.681 -3.860 1.00 0.00 H new ATOM 0 HD22 LEU A 122 8.230 -1.800 -2.736 1.00 0.00 H new ATOM 0 HD23 LEU A 122 7.846 -2.325 -4.392 1.00 0.00 H new ATOM 707 N VAL A 123 6.939 -6.922 -2.888 1.00 0.00 N ATOM 708 CA VAL A 123 6.638 -8.333 -2.700 1.00 0.00 C ATOM 709 C VAL A 123 7.062 -8.817 -1.323 1.00 0.00 C ATOM 710 O VAL A 123 8.169 -8.524 -0.866 1.00 0.00 O ATOM 711 CB VAL A 123 7.335 -9.217 -3.762 1.00 0.00 C ATOM 712 CG1 VAL A 123 6.306 -9.993 -4.565 1.00 0.00 C ATOM 713 CG2 VAL A 123 8.223 -8.395 -4.688 1.00 0.00 C ATOM 0 H VAL A 123 7.888 -6.651 -2.631 1.00 0.00 H new ATOM 0 HA VAL A 123 5.557 -8.426 -2.805 1.00 0.00 H new ATOM 0 HB VAL A 123 7.976 -9.922 -3.233 1.00 0.00 H new ATOM 0 HG11 VAL A 123 6.813 -10.609 -5.307 1.00 0.00 H new ATOM 0 HG12 VAL A 123 5.729 -10.631 -3.896 1.00 0.00 H new ATOM 0 HG13 VAL A 123 5.636 -9.296 -5.069 1.00 0.00 H new ATOM 0 HG21 VAL A 123 8.694 -9.053 -5.419 1.00 0.00 H new ATOM 0 HG22 VAL A 123 7.618 -7.651 -5.206 1.00 0.00 H new ATOM 0 HG23 VAL A 123 8.993 -7.893 -4.102 1.00 0.00 H new ATOM 723 N PRO A 124 6.179 -9.552 -0.633 1.00 0.00 N ATOM 724 CA PRO A 124 6.523 -10.219 0.621 1.00 0.00 C ATOM 725 C PRO A 124 7.643 -11.228 0.400 1.00 0.00 C ATOM 726 O PRO A 124 7.468 -12.228 -0.298 1.00 0.00 O ATOM 727 CB PRO A 124 5.233 -10.932 1.027 1.00 0.00 C ATOM 728 CG PRO A 124 4.153 -10.231 0.280 1.00 0.00 C ATOM 729 CD PRO A 124 4.776 -9.781 -1.009 1.00 0.00 C ATOM 0 HA PRO A 124 6.878 -9.525 1.383 1.00 0.00 H new ATOM 0 HB2 PRO A 124 5.269 -11.990 0.768 1.00 0.00 H new ATOM 0 HB3 PRO A 124 5.071 -10.872 2.103 1.00 0.00 H new ATOM 0 HG2 PRO A 124 3.309 -10.896 0.096 1.00 0.00 H new ATOM 0 HG3 PRO A 124 3.772 -9.382 0.848 1.00 0.00 H new ATOM 0 HD2 PRO A 124 4.685 -10.538 -1.788 1.00 0.00 H new ATOM 0 HD3 PRO A 124 4.306 -8.874 -1.390 1.00 0.00 H new ATOM 737 N GLY A 125 8.795 -10.946 0.981 1.00 0.00 N ATOM 738 CA GLY A 125 9.969 -11.754 0.740 1.00 0.00 C ATOM 739 C GLY A 125 11.080 -10.920 0.145 1.00 0.00 C ATOM 740 O GLY A 125 12.260 -11.263 0.244 1.00 0.00 O ATOM 0 H GLY A 125 8.939 -10.165 1.621 1.00 0.00 H new ATOM 0 HA2 GLY A 125 10.305 -12.203 1.675 1.00 0.00 H new ATOM 0 HA3 GLY A 125 9.721 -12.573 0.064 1.00 0.00 H new ATOM 744 N ASP A 126 10.690 -9.813 -0.468 1.00 0.00 N ATOM 745 CA ASP A 126 11.642 -8.871 -1.025 1.00 0.00 C ATOM 746 C ASP A 126 11.603 -7.578 -0.229 1.00 0.00 C ATOM 747 O ASP A 126 10.880 -7.475 0.766 1.00 0.00 O ATOM 748 CB ASP A 126 11.347 -8.598 -2.499 1.00 0.00 C ATOM 749 CG ASP A 126 12.566 -8.806 -3.371 1.00 0.00 C ATOM 750 OD1 ASP A 126 13.217 -9.861 -3.246 1.00 0.00 O ATOM 751 OD2 ASP A 126 12.874 -7.924 -4.199 1.00 0.00 O ATOM 0 H ASP A 126 9.713 -9.546 -0.592 1.00 0.00 H new ATOM 0 HA ASP A 126 12.640 -9.305 -0.960 1.00 0.00 H new ATOM 0 HB2 ASP A 126 10.545 -9.255 -2.835 1.00 0.00 H new ATOM 0 HB3 ASP A 126 10.990 -7.574 -2.613 1.00 0.00 H new ATOM 756 N ARG A 127 12.351 -6.591 -0.676 1.00 0.00 N ATOM 757 CA ARG A 127 12.496 -5.354 0.072 1.00 0.00 C ATOM 758 C ARG A 127 11.579 -4.271 -0.475 1.00 0.00 C ATOM 759 O ARG A 127 11.285 -4.237 -1.670 1.00 0.00 O ATOM 760 CB ARG A 127 13.943 -4.877 0.022 1.00 0.00 C ATOM 761 CG ARG A 127 14.486 -4.443 1.369 1.00 0.00 C ATOM 762 CD ARG A 127 15.794 -3.688 1.215 1.00 0.00 C ATOM 763 NE ARG A 127 16.821 -4.515 0.587 1.00 0.00 N ATOM 764 CZ ARG A 127 17.653 -5.304 1.259 1.00 0.00 C ATOM 765 NH1 ARG A 127 17.639 -5.315 2.589 1.00 0.00 N ATOM 766 NH2 ARG A 127 18.505 -6.078 0.600 1.00 0.00 N ATOM 0 H ARG A 127 12.869 -6.619 -1.554 1.00 0.00 H new ATOM 0 HA ARG A 127 12.215 -5.552 1.106 1.00 0.00 H new ATOM 0 HB2 ARG A 127 14.568 -5.679 -0.371 1.00 0.00 H new ATOM 0 HB3 ARG A 127 14.018 -4.043 -0.676 1.00 0.00 H new ATOM 0 HG2 ARG A 127 13.755 -3.810 1.872 1.00 0.00 H new ATOM 0 HG3 ARG A 127 14.640 -5.318 2.001 1.00 0.00 H new ATOM 0 HD2 ARG A 127 15.630 -2.793 0.615 1.00 0.00 H new ATOM 0 HD3 ARG A 127 16.141 -3.357 2.194 1.00 0.00 H new ATOM 0 HE ARG A 127 16.905 -4.485 -0.429 1.00 0.00 H new ATOM 0 HH11 ARG A 127 16.988 -4.716 3.097 1.00 0.00 H new ATOM 0 HH12 ARG A 127 18.279 -5.922 3.101 1.00 0.00 H new ATOM 0 HH21 ARG A 127 18.520 -6.067 -0.420 1.00 0.00 H new ATOM 0 HH22 ARG A 127 19.145 -6.685 1.113 1.00 0.00 H new ATOM 780 N PHE A 128 11.127 -3.399 0.412 1.00 0.00 N ATOM 781 CA PHE A 128 10.306 -2.264 0.033 1.00 0.00 C ATOM 782 C PHE A 128 10.673 -1.059 0.895 1.00 0.00 C ATOM 783 O PHE A 128 11.225 -1.213 1.987 1.00 0.00 O ATOM 784 CB PHE A 128 8.810 -2.619 0.149 1.00 0.00 C ATOM 785 CG PHE A 128 8.144 -2.210 1.438 1.00 0.00 C ATOM 786 CD1 PHE A 128 8.582 -2.701 2.659 1.00 0.00 C ATOM 787 CD2 PHE A 128 7.064 -1.340 1.420 1.00 0.00 C ATOM 788 CE1 PHE A 128 7.962 -2.329 3.835 1.00 0.00 C ATOM 789 CE2 PHE A 128 6.438 -0.966 2.592 1.00 0.00 C ATOM 790 CZ PHE A 128 6.887 -1.459 3.800 1.00 0.00 C ATOM 0 H PHE A 128 11.319 -3.459 1.412 1.00 0.00 H new ATOM 0 HA PHE A 128 10.496 -2.006 -1.009 1.00 0.00 H new ATOM 0 HB2 PHE A 128 8.278 -2.151 -0.679 1.00 0.00 H new ATOM 0 HB3 PHE A 128 8.700 -3.697 0.030 1.00 0.00 H new ATOM 0 HD1 PHE A 128 9.419 -3.383 2.690 1.00 0.00 H new ATOM 0 HD2 PHE A 128 6.708 -0.950 0.478 1.00 0.00 H new ATOM 0 HE1 PHE A 128 8.315 -2.716 4.779 1.00 0.00 H new ATOM 0 HE2 PHE A 128 5.598 -0.288 2.564 1.00 0.00 H new ATOM 0 HZ PHE A 128 6.399 -1.166 4.718 1.00 0.00 H new ATOM 800 N HIS A 129 10.393 0.132 0.400 1.00 0.00 N ATOM 801 CA HIS A 129 10.722 1.341 1.133 1.00 0.00 C ATOM 802 C HIS A 129 9.457 2.116 1.480 1.00 0.00 C ATOM 803 O HIS A 129 8.711 2.537 0.599 1.00 0.00 O ATOM 804 CB HIS A 129 11.681 2.219 0.322 1.00 0.00 C ATOM 805 CG HIS A 129 13.127 1.965 0.619 1.00 0.00 C ATOM 806 ND1 HIS A 129 13.830 2.760 1.488 1.00 0.00 N ATOM 807 CD2 HIS A 129 13.947 0.997 0.142 1.00 0.00 C ATOM 808 CE1 HIS A 129 15.051 2.264 1.521 1.00 0.00 C ATOM 809 NE2 HIS A 129 15.173 1.193 0.724 1.00 0.00 N ATOM 0 H HIS A 129 9.941 0.289 -0.501 1.00 0.00 H new ATOM 0 HA HIS A 129 11.218 1.055 2.061 1.00 0.00 H new ATOM 0 HB2 HIS A 129 11.503 2.052 -0.740 1.00 0.00 H new ATOM 0 HB3 HIS A 129 11.457 3.267 0.522 1.00 0.00 H new ATOM 0 HD1 HIS A 129 13.480 3.568 2.003 1.00 0.00 H new ATOM 0 HD2 HIS A 129 13.685 0.220 -0.561 1.00 0.00 H new ATOM 0 HE1 HIS A 129 15.855 2.671 2.117 1.00 0.00 H new ATOM 817 N TYR A 130 9.208 2.271 2.774 1.00 0.00 N ATOM 818 CA TYR A 130 8.077 3.041 3.260 1.00 0.00 C ATOM 819 C TYR A 130 8.595 4.205 4.089 1.00 0.00 C ATOM 820 O TYR A 130 8.977 4.033 5.247 1.00 0.00 O ATOM 821 CB TYR A 130 7.165 2.154 4.113 1.00 0.00 C ATOM 822 CG TYR A 130 5.746 2.662 4.247 1.00 0.00 C ATOM 823 CD1 TYR A 130 4.834 2.507 3.211 1.00 0.00 C ATOM 824 CD2 TYR A 130 5.315 3.282 5.412 1.00 0.00 C ATOM 825 CE1 TYR A 130 3.531 2.957 3.331 1.00 0.00 C ATOM 826 CE2 TYR A 130 4.012 3.735 5.540 1.00 0.00 C ATOM 827 CZ TYR A 130 3.124 3.568 4.497 1.00 0.00 C ATOM 828 OH TYR A 130 1.824 4.012 4.626 1.00 0.00 O ATOM 0 H TYR A 130 9.784 1.867 3.512 1.00 0.00 H new ATOM 0 HA TYR A 130 7.500 3.419 2.416 1.00 0.00 H new ATOM 0 HB2 TYR A 130 7.141 1.155 3.678 1.00 0.00 H new ATOM 0 HB3 TYR A 130 7.599 2.058 5.108 1.00 0.00 H new ATOM 0 HD1 TYR A 130 5.147 2.027 2.296 1.00 0.00 H new ATOM 0 HD2 TYR A 130 6.006 3.413 6.231 1.00 0.00 H new ATOM 0 HE1 TYR A 130 2.836 2.830 2.514 1.00 0.00 H new ATOM 0 HE2 TYR A 130 3.693 4.217 6.452 1.00 0.00 H new ATOM 0 HH TYR A 130 1.432 4.138 3.737 1.00 0.00 H new ATOM 838 N ILE A 131 8.610 5.386 3.496 1.00 0.00 N ATOM 839 CA ILE A 131 9.133 6.561 4.175 1.00 0.00 C ATOM 840 C ILE A 131 8.096 7.668 4.200 1.00 0.00 C ATOM 841 O ILE A 131 7.710 8.189 3.158 1.00 0.00 O ATOM 842 CB ILE A 131 10.428 7.092 3.519 1.00 0.00 C ATOM 843 CG1 ILE A 131 11.119 5.995 2.699 1.00 0.00 C ATOM 844 CG2 ILE A 131 11.368 7.635 4.586 1.00 0.00 C ATOM 845 CD1 ILE A 131 12.379 6.459 1.995 1.00 0.00 C ATOM 0 H ILE A 131 8.268 5.558 2.550 1.00 0.00 H new ATOM 0 HA ILE A 131 9.372 6.252 5.193 1.00 0.00 H new ATOM 0 HB ILE A 131 10.163 7.901 2.838 1.00 0.00 H new ATOM 0 HG12 ILE A 131 11.368 5.164 3.359 1.00 0.00 H new ATOM 0 HG13 ILE A 131 10.418 5.614 1.956 1.00 0.00 H new ATOM 0 HG21 ILE A 131 12.278 8.007 4.114 1.00 0.00 H new ATOM 0 HG22 ILE A 131 10.879 8.448 5.122 1.00 0.00 H new ATOM 0 HG23 ILE A 131 11.622 6.839 5.286 1.00 0.00 H new ATOM 0 HD11 ILE A 131 12.810 5.628 1.436 1.00 0.00 H new ATOM 0 HD12 ILE A 131 12.135 7.270 1.309 1.00 0.00 H new ATOM 0 HD13 ILE A 131 13.099 6.813 2.733 1.00 0.00 H new ATOM 857 N ASN A 132 7.629 7.991 5.399 1.00 0.00 N ATOM 858 CA ASN A 132 6.622 9.033 5.600 1.00 0.00 C ATOM 859 C ASN A 132 5.360 8.747 4.787 1.00 0.00 C ATOM 860 O ASN A 132 4.774 9.652 4.191 1.00 0.00 O ATOM 861 CB ASN A 132 7.181 10.420 5.248 1.00 0.00 C ATOM 862 CG ASN A 132 6.643 11.497 6.173 1.00 0.00 C ATOM 863 OD1 ASN A 132 6.699 11.361 7.395 1.00 0.00 O ATOM 864 ND2 ASN A 132 6.114 12.569 5.602 1.00 0.00 N ATOM 0 H ASN A 132 7.935 7.540 6.261 1.00 0.00 H new ATOM 0 HA ASN A 132 6.356 9.029 6.657 1.00 0.00 H new ATOM 0 HB2 ASN A 132 8.269 10.399 5.309 1.00 0.00 H new ATOM 0 HB3 ASN A 132 6.924 10.665 4.217 1.00 0.00 H new ATOM 0 HD21 ASN A 132 5.734 13.319 6.179 1.00 0.00 H new ATOM 0 HD22 ASN A 132 6.086 12.644 4.585 1.00 0.00 H new ATOM 871 N GLY A 133 4.955 7.481 4.760 1.00 0.00 N ATOM 872 CA GLY A 133 3.738 7.106 4.064 1.00 0.00 C ATOM 873 C GLY A 133 3.897 7.094 2.556 1.00 0.00 C ATOM 874 O GLY A 133 2.953 7.395 1.829 1.00 0.00 O ATOM 0 H GLY A 133 5.448 6.708 5.208 1.00 0.00 H new ATOM 0 HA2 GLY A 133 3.425 6.117 4.399 1.00 0.00 H new ATOM 0 HA3 GLY A 133 2.943 7.801 4.334 1.00 0.00 H new ATOM 878 N SER A 134 5.082 6.736 2.083 1.00 0.00 N ATOM 879 CA SER A 134 5.334 6.697 0.651 1.00 0.00 C ATOM 880 C SER A 134 5.889 5.339 0.258 1.00 0.00 C ATOM 881 O SER A 134 6.627 4.722 1.028 1.00 0.00 O ATOM 882 CB SER A 134 6.306 7.808 0.248 1.00 0.00 C ATOM 883 OG SER A 134 6.207 8.920 1.123 1.00 0.00 O ATOM 0 H SER A 134 5.877 6.471 2.664 1.00 0.00 H new ATOM 0 HA SER A 134 4.393 6.858 0.125 1.00 0.00 H new ATOM 0 HB2 SER A 134 7.326 7.424 0.258 1.00 0.00 H new ATOM 0 HB3 SER A 134 6.096 8.126 -0.773 1.00 0.00 H new ATOM 0 HG SER A 134 6.528 8.665 2.013 1.00 0.00 H new ATOM 889 N LEU A 135 5.528 4.878 -0.931 1.00 0.00 N ATOM 890 CA LEU A 135 5.937 3.564 -1.397 1.00 0.00 C ATOM 891 C LEU A 135 7.097 3.670 -2.374 1.00 0.00 C ATOM 892 O LEU A 135 7.018 4.394 -3.368 1.00 0.00 O ATOM 893 CB LEU A 135 4.758 2.851 -2.062 1.00 0.00 C ATOM 894 CG LEU A 135 3.648 2.407 -1.108 1.00 0.00 C ATOM 895 CD1 LEU A 135 2.493 1.788 -1.884 1.00 0.00 C ATOM 896 CD2 LEU A 135 4.190 1.424 -0.081 1.00 0.00 C ATOM 0 H LEU A 135 4.950 5.398 -1.592 1.00 0.00 H new ATOM 0 HA LEU A 135 6.267 2.985 -0.534 1.00 0.00 H new ATOM 0 HB2 LEU A 135 4.328 3.515 -2.812 1.00 0.00 H new ATOM 0 HB3 LEU A 135 5.134 1.975 -2.590 1.00 0.00 H new ATOM 0 HG LEU A 135 3.275 3.285 -0.580 1.00 0.00 H new ATOM 0 HD11 LEU A 135 1.713 1.478 -1.189 1.00 0.00 H new ATOM 0 HD12 LEU A 135 2.088 2.522 -2.581 1.00 0.00 H new ATOM 0 HD13 LEU A 135 2.851 0.920 -2.438 1.00 0.00 H new ATOM 0 HD21 LEU A 135 3.387 1.119 0.590 1.00 0.00 H new ATOM 0 HD22 LEU A 135 4.589 0.548 -0.592 1.00 0.00 H new ATOM 0 HD23 LEU A 135 4.983 1.901 0.496 1.00 0.00 H new ATOM 908 N PHE A 136 8.179 2.970 -2.061 1.00 0.00 N ATOM 909 CA PHE A 136 9.339 2.883 -2.941 1.00 0.00 C ATOM 910 C PHE A 136 9.828 1.438 -3.003 1.00 0.00 C ATOM 911 O PHE A 136 9.464 0.617 -2.155 1.00 0.00 O ATOM 912 CB PHE A 136 10.471 3.798 -2.453 1.00 0.00 C ATOM 913 CG PHE A 136 10.091 5.244 -2.335 1.00 0.00 C ATOM 914 CD1 PHE A 136 9.917 6.023 -3.469 1.00 0.00 C ATOM 915 CD2 PHE A 136 9.908 5.827 -1.092 1.00 0.00 C ATOM 916 CE1 PHE A 136 9.563 7.353 -3.364 1.00 0.00 C ATOM 917 CE2 PHE A 136 9.556 7.157 -0.980 1.00 0.00 C ATOM 918 CZ PHE A 136 9.385 7.921 -2.118 1.00 0.00 C ATOM 0 H PHE A 136 8.278 2.447 -1.191 1.00 0.00 H new ATOM 0 HA PHE A 136 9.042 3.212 -3.937 1.00 0.00 H new ATOM 0 HB2 PHE A 136 10.814 3.444 -1.481 1.00 0.00 H new ATOM 0 HB3 PHE A 136 11.313 3.711 -3.139 1.00 0.00 H new ATOM 0 HD1 PHE A 136 10.060 5.584 -4.445 1.00 0.00 H new ATOM 0 HD2 PHE A 136 10.042 5.234 -0.200 1.00 0.00 H new ATOM 0 HE1 PHE A 136 9.426 7.948 -4.255 1.00 0.00 H new ATOM 0 HE2 PHE A 136 9.415 7.599 -0.005 1.00 0.00 H new ATOM 0 HZ PHE A 136 9.112 8.963 -2.033 1.00 0.00 H new ATOM 928 N CYS A 137 10.660 1.127 -3.988 1.00 0.00 N ATOM 929 CA CYS A 137 11.114 -0.238 -4.188 1.00 0.00 C ATOM 930 C CYS A 137 12.613 -0.383 -3.926 1.00 0.00 C ATOM 931 O CYS A 137 13.258 0.516 -3.377 1.00 0.00 O ATOM 932 CB CYS A 137 10.799 -0.662 -5.618 1.00 0.00 C ATOM 933 SG CYS A 137 11.725 0.271 -6.879 1.00 0.00 S ATOM 0 H CYS A 137 11.032 1.801 -4.658 1.00 0.00 H new ATOM 0 HA CYS A 137 10.592 -0.879 -3.477 1.00 0.00 H new ATOM 0 HB2 CYS A 137 11.019 -1.724 -5.730 1.00 0.00 H new ATOM 0 HB3 CYS A 137 9.731 -0.537 -5.798 1.00 0.00 H new ATOM 0 HG CYS A 137 11.509 1.543 -6.723 1.00 0.00 H new ATOM 938 N GLU A 138 13.155 -1.525 -4.338 1.00 0.00 N ATOM 939 CA GLU A 138 14.586 -1.788 -4.239 1.00 0.00 C ATOM 940 C GLU A 138 15.339 -1.016 -5.312 1.00 0.00 C ATOM 941 O GLU A 138 16.491 -0.626 -5.125 1.00 0.00 O ATOM 942 CB GLU A 138 14.868 -3.281 -4.393 1.00 0.00 C ATOM 943 CG GLU A 138 14.854 -4.041 -3.083 1.00 0.00 C ATOM 944 CD GLU A 138 16.123 -4.838 -2.860 1.00 0.00 C ATOM 945 OE1 GLU A 138 16.265 -5.912 -3.475 1.00 0.00 O ATOM 946 OE2 GLU A 138 16.981 -4.393 -2.063 1.00 0.00 O ATOM 0 H GLU A 138 12.618 -2.290 -4.747 1.00 0.00 H new ATOM 0 HA GLU A 138 14.925 -1.462 -3.256 1.00 0.00 H new ATOM 0 HB2 GLU A 138 14.125 -3.715 -5.063 1.00 0.00 H new ATOM 0 HB3 GLU A 138 15.840 -3.411 -4.868 1.00 0.00 H new ATOM 0 HG2 GLU A 138 14.721 -3.338 -2.261 1.00 0.00 H new ATOM 0 HG3 GLU A 138 13.998 -4.715 -3.067 1.00 0.00 H new ATOM 953 N HIS A 139 14.670 -0.796 -6.436 1.00 0.00 N ATOM 954 CA HIS A 139 15.241 -0.031 -7.534 1.00 0.00 C ATOM 955 C HIS A 139 15.251 1.445 -7.161 1.00 0.00 C ATOM 956 O HIS A 139 16.119 2.211 -7.592 1.00 0.00 O ATOM 957 CB HIS A 139 14.425 -0.259 -8.810 1.00 0.00 C ATOM 958 CG HIS A 139 15.036 0.344 -10.033 1.00 0.00 C ATOM 959 ND1 HIS A 139 16.141 -0.213 -10.631 1.00 0.00 N ATOM 960 CD2 HIS A 139 14.663 1.446 -10.725 1.00 0.00 C ATOM 961 CE1 HIS A 139 16.416 0.560 -11.667 1.00 0.00 C ATOM 962 NE2 HIS A 139 15.545 1.576 -11.764 1.00 0.00 N ATOM 0 H HIS A 139 13.726 -1.139 -6.611 1.00 0.00 H new ATOM 0 HA HIS A 139 16.264 -0.359 -7.719 1.00 0.00 H new ATOM 0 HB2 HIS A 139 14.305 -1.331 -8.966 1.00 0.00 H new ATOM 0 HB3 HIS A 139 13.427 0.157 -8.671 1.00 0.00 H new ATOM 0 HD2 HIS A 139 13.831 2.097 -10.501 1.00 0.00 H new ATOM 0 HE1 HIS A 139 17.237 0.395 -12.349 1.00 0.00 H new ATOM 0 HE2 HIS A 139 15.541 2.306 -12.476 1.00 0.00 H new ATOM 970 N ASP A 140 14.267 1.828 -6.358 1.00 0.00 N ATOM 971 CA ASP A 140 14.178 3.175 -5.818 1.00 0.00 C ATOM 972 C ASP A 140 15.328 3.430 -4.860 1.00 0.00 C ATOM 973 O ASP A 140 16.337 4.031 -5.227 1.00 0.00 O ATOM 974 CB ASP A 140 12.863 3.358 -5.060 1.00 0.00 C ATOM 975 CG ASP A 140 11.795 4.058 -5.869 1.00 0.00 C ATOM 976 OD1 ASP A 140 12.004 5.235 -6.240 1.00 0.00 O ATOM 977 OD2 ASP A 140 10.731 3.447 -6.095 1.00 0.00 O ATOM 0 H ASP A 140 13.509 1.212 -6.064 1.00 0.00 H new ATOM 0 HA ASP A 140 14.224 3.878 -6.650 1.00 0.00 H new ATOM 0 HB2 ASP A 140 12.492 2.381 -4.751 1.00 0.00 H new ATOM 0 HB3 ASP A 140 13.053 3.929 -4.151 1.00 0.00 H new ATOM 982 N ARG A 141 15.161 2.942 -3.628 1.00 0.00 N ATOM 983 CA ARG A 141 16.144 3.130 -2.560 1.00 0.00 C ATOM 984 C ARG A 141 16.572 4.601 -2.446 1.00 0.00 C ATOM 985 O ARG A 141 17.756 4.921 -2.579 1.00 0.00 O ATOM 986 CB ARG A 141 17.365 2.236 -2.809 1.00 0.00 C ATOM 987 CG ARG A 141 17.806 1.439 -1.593 1.00 0.00 C ATOM 988 CD ARG A 141 19.222 1.807 -1.186 1.00 0.00 C ATOM 989 NE ARG A 141 19.837 0.802 -0.314 1.00 0.00 N ATOM 990 CZ ARG A 141 20.311 -0.379 -0.733 1.00 0.00 C ATOM 991 NH1 ARG A 141 20.209 -0.731 -2.010 1.00 0.00 N ATOM 992 NH2 ARG A 141 20.898 -1.202 0.129 1.00 0.00 N ATOM 0 H ARG A 141 14.341 2.406 -3.344 1.00 0.00 H new ATOM 0 HA ARG A 141 15.679 2.846 -1.616 1.00 0.00 H new ATOM 0 HB2 ARG A 141 17.137 1.545 -3.620 1.00 0.00 H new ATOM 0 HB3 ARG A 141 18.195 2.858 -3.144 1.00 0.00 H new ATOM 0 HG2 ARG A 141 17.125 1.628 -0.763 1.00 0.00 H new ATOM 0 HG3 ARG A 141 17.752 0.373 -1.813 1.00 0.00 H new ATOM 0 HD2 ARG A 141 19.833 1.929 -2.080 1.00 0.00 H new ATOM 0 HD3 ARG A 141 19.210 2.769 -0.674 1.00 0.00 H new ATOM 0 HE ARG A 141 19.909 1.017 0.681 1.00 0.00 H new ATOM 0 HH11 ARG A 141 19.767 -0.100 -2.679 1.00 0.00 H new ATOM 0 HH12 ARG A 141 20.572 -1.632 -2.321 1.00 0.00 H new ATOM 0 HH21 ARG A 141 20.988 -0.935 1.109 1.00 0.00 H new ATOM 0 HH22 ARG A 141 21.259 -2.101 -0.189 1.00 0.00 H new ATOM 1006 N PRO A 142 15.610 5.514 -2.182 1.00 0.00 N ATOM 1007 CA PRO A 142 15.872 6.958 -2.142 1.00 0.00 C ATOM 1008 C PRO A 142 16.793 7.340 -0.990 1.00 0.00 C ATOM 1009 O PRO A 142 16.343 7.588 0.129 1.00 0.00 O ATOM 1010 CB PRO A 142 14.481 7.580 -1.955 1.00 0.00 C ATOM 1011 CG PRO A 142 13.657 6.500 -1.344 1.00 0.00 C ATOM 1012 CD PRO A 142 14.198 5.205 -1.880 1.00 0.00 C ATOM 0 HA PRO A 142 16.380 7.305 -3.042 1.00 0.00 H new ATOM 0 HB2 PRO A 142 14.524 8.457 -1.309 1.00 0.00 H new ATOM 0 HB3 PRO A 142 14.062 7.905 -2.907 1.00 0.00 H new ATOM 0 HG2 PRO A 142 13.723 6.529 -0.256 1.00 0.00 H new ATOM 0 HG3 PRO A 142 12.605 6.619 -1.603 1.00 0.00 H new ATOM 0 HD2 PRO A 142 14.112 4.402 -1.149 1.00 0.00 H new ATOM 0 HD3 PRO A 142 13.659 4.884 -2.771 1.00 0.00 H new ATOM 1020 N THR A 143 18.088 7.381 -1.270 1.00 0.00 N ATOM 1021 CA THR A 143 19.087 7.699 -0.264 1.00 0.00 C ATOM 1022 C THR A 143 19.115 9.196 0.039 1.00 0.00 C ATOM 1023 O THR A 143 20.134 9.860 -0.129 1.00 0.00 O ATOM 1024 CB THR A 143 20.478 7.239 -0.728 1.00 0.00 C ATOM 1025 OG1 THR A 143 20.348 6.464 -1.933 1.00 0.00 O ATOM 1026 CG2 THR A 143 21.162 6.406 0.346 1.00 0.00 C ATOM 0 H THR A 143 18.473 7.196 -2.196 1.00 0.00 H new ATOM 0 HA THR A 143 18.816 7.169 0.649 1.00 0.00 H new ATOM 0 HB THR A 143 21.090 8.121 -0.919 1.00 0.00 H new ATOM 0 HG1 THR A 143 21.235 6.171 -2.231 1.00 0.00 H new ATOM 0 HG21 THR A 143 22.145 6.093 -0.007 1.00 0.00 H new ATOM 0 HG22 THR A 143 21.275 7.002 1.252 1.00 0.00 H new ATOM 0 HG23 THR A 143 20.557 5.526 0.564 1.00 0.00 H new ATOM 1034 N ALA A 144 17.987 9.720 0.475 1.00 0.00 N ATOM 1035 CA ALA A 144 17.883 11.129 0.801 1.00 0.00 C ATOM 1036 C ALA A 144 17.362 11.310 2.219 1.00 0.00 C ATOM 1037 O ALA A 144 18.079 11.786 3.098 1.00 0.00 O ATOM 1038 CB ALA A 144 16.983 11.837 -0.202 1.00 0.00 C ATOM 0 H ALA A 144 17.127 9.190 0.612 1.00 0.00 H new ATOM 0 HA ALA A 144 18.876 11.576 0.745 1.00 0.00 H new ATOM 0 HB1 ALA A 144 16.913 12.894 0.054 1.00 0.00 H new ATOM 0 HB2 ALA A 144 17.402 11.733 -1.203 1.00 0.00 H new ATOM 0 HB3 ALA A 144 15.989 11.391 -0.176 1.00 0.00 H new ATOM 1044 N LEU A 145 16.118 10.909 2.442 1.00 0.00 N ATOM 1045 CA LEU A 145 15.511 11.010 3.762 1.00 0.00 C ATOM 1046 C LEU A 145 15.198 9.621 4.307 1.00 0.00 C ATOM 1047 O LEU A 145 14.132 9.386 4.868 1.00 0.00 O ATOM 1048 CB LEU A 145 14.241 11.867 3.699 1.00 0.00 C ATOM 1049 CG LEU A 145 14.422 13.327 4.121 1.00 0.00 C ATOM 1050 CD1 LEU A 145 13.565 14.242 3.263 1.00 0.00 C ATOM 1051 CD2 LEU A 145 14.085 13.503 5.594 1.00 0.00 C ATOM 0 H LEU A 145 15.510 10.511 1.726 1.00 0.00 H new ATOM 0 HA LEU A 145 16.217 11.493 4.438 1.00 0.00 H new ATOM 0 HB2 LEU A 145 13.856 11.845 2.679 1.00 0.00 H new ATOM 0 HB3 LEU A 145 13.482 11.412 4.336 1.00 0.00 H new ATOM 0 HG LEU A 145 15.467 13.600 3.973 1.00 0.00 H new ATOM 0 HD11 LEU A 145 13.708 15.276 3.579 1.00 0.00 H new ATOM 0 HD12 LEU A 145 13.856 14.138 2.218 1.00 0.00 H new ATOM 0 HD13 LEU A 145 12.516 13.970 3.376 1.00 0.00 H new ATOM 0 HD21 LEU A 145 14.220 14.547 5.876 1.00 0.00 H new ATOM 0 HD22 LEU A 145 13.049 13.211 5.768 1.00 0.00 H new ATOM 0 HD23 LEU A 145 14.744 12.877 6.195 1.00 0.00 H new ATOM 1063 N ILE A 146 16.139 8.700 4.130 1.00 0.00 N ATOM 1064 CA ILE A 146 15.961 7.331 4.601 1.00 0.00 C ATOM 1065 C ILE A 146 16.112 7.255 6.114 1.00 0.00 C ATOM 1066 O ILE A 146 16.813 8.070 6.721 1.00 0.00 O ATOM 1067 CB ILE A 146 16.967 6.357 3.949 1.00 0.00 C ATOM 1068 CG1 ILE A 146 18.236 7.088 3.513 1.00 0.00 C ATOM 1069 CG2 ILE A 146 16.328 5.654 2.765 1.00 0.00 C ATOM 1070 CD1 ILE A 146 19.507 6.371 3.916 1.00 0.00 C ATOM 0 H ILE A 146 17.030 8.875 3.665 1.00 0.00 H new ATOM 0 HA ILE A 146 14.953 7.033 4.313 1.00 0.00 H new ATOM 0 HB ILE A 146 17.246 5.610 4.692 1.00 0.00 H new ATOM 0 HG12 ILE A 146 18.223 7.210 2.430 1.00 0.00 H new ATOM 0 HG13 ILE A 146 18.238 8.088 3.946 1.00 0.00 H new ATOM 0 HG21 ILE A 146 17.048 4.971 2.315 1.00 0.00 H new ATOM 0 HG22 ILE A 146 15.457 5.092 3.102 1.00 0.00 H new ATOM 0 HG23 ILE A 146 16.019 6.393 2.026 1.00 0.00 H new ATOM 0 HD11 ILE A 146 20.371 6.943 3.576 1.00 0.00 H new ATOM 0 HD12 ILE A 146 19.541 6.273 5.001 1.00 0.00 H new ATOM 0 HD13 ILE A 146 19.526 5.381 3.461 1.00 0.00 H new ATOM 1146 N GLY A 207 15.654 -0.536 4.162 1.00 0.00 N ATOM 1147 CA GLY A 207 14.478 -1.071 3.508 1.00 0.00 C ATOM 1148 C GLY A 207 14.002 -2.345 4.171 1.00 0.00 C ATOM 1149 O GLY A 207 14.784 -3.276 4.360 1.00 0.00 O ATOM 0 HA2 GLY A 207 13.680 -0.329 3.530 1.00 0.00 H new ATOM 0 HA3 GLY A 207 14.702 -1.268 2.460 1.00 0.00 H new ATOM 1153 N SER A 208 12.731 -2.386 4.529 1.00 0.00 N ATOM 1154 CA SER A 208 12.161 -3.547 5.193 1.00 0.00 C ATOM 1155 C SER A 208 11.552 -4.507 4.173 1.00 0.00 C ATOM 1156 O SER A 208 11.397 -4.168 2.998 1.00 0.00 O ATOM 1157 CB SER A 208 11.097 -3.092 6.197 1.00 0.00 C ATOM 1158 OG SER A 208 11.122 -1.679 6.359 1.00 0.00 O ATOM 0 H SER A 208 12.070 -1.625 4.370 1.00 0.00 H new ATOM 0 HA SER A 208 12.954 -4.075 5.723 1.00 0.00 H new ATOM 0 HB2 SER A 208 10.111 -3.405 5.854 1.00 0.00 H new ATOM 0 HB3 SER A 208 11.269 -3.575 7.159 1.00 0.00 H new ATOM 0 HG SER A 208 10.433 -1.411 7.003 1.00 0.00 H new ATOM 1164 N ILE A 404 11.235 -5.710 4.621 1.00 0.00 N ATOM 1165 CA ILE A 404 10.541 -6.683 3.790 1.00 0.00 C ATOM 1166 C ILE A 404 9.070 -6.306 3.692 1.00 0.00 C ATOM 1167 O ILE A 404 8.432 -6.030 4.710 1.00 0.00 O ATOM 1168 CB ILE A 404 10.674 -8.111 4.369 1.00 0.00 C ATOM 1169 CG1 ILE A 404 12.152 -8.480 4.533 1.00 0.00 C ATOM 1170 CG2 ILE A 404 9.961 -9.127 3.487 1.00 0.00 C ATOM 1171 CD1 ILE A 404 12.957 -8.371 3.251 1.00 0.00 C ATOM 0 H ILE A 404 11.449 -6.039 5.562 1.00 0.00 H new ATOM 0 HA ILE A 404 10.995 -6.675 2.799 1.00 0.00 H new ATOM 0 HB ILE A 404 10.199 -8.129 5.350 1.00 0.00 H new ATOM 0 HG12 ILE A 404 12.597 -7.831 5.287 1.00 0.00 H new ATOM 0 HG13 ILE A 404 12.222 -9.501 4.909 1.00 0.00 H new ATOM 0 HG21 ILE A 404 10.070 -10.123 3.917 1.00 0.00 H new ATOM 0 HG22 ILE A 404 8.903 -8.874 3.423 1.00 0.00 H new ATOM 0 HG23 ILE A 404 10.399 -9.113 2.489 1.00 0.00 H new ATOM 0 HD11 ILE A 404 13.993 -8.648 3.447 1.00 0.00 H new ATOM 0 HD12 ILE A 404 12.538 -9.041 2.500 1.00 0.00 H new ATOM 0 HD13 ILE A 404 12.919 -7.345 2.884 1.00 0.00 H new ATOM 1183 N ALA A 405 8.548 -6.267 2.469 1.00 0.00 N ATOM 1184 CA ALA A 405 7.164 -5.869 2.235 1.00 0.00 C ATOM 1185 C ALA A 405 6.195 -6.742 3.023 1.00 0.00 C ATOM 1186 O ALA A 405 6.299 -7.970 3.007 1.00 0.00 O ATOM 1187 CB ALA A 405 6.844 -5.928 0.752 1.00 0.00 C ATOM 0 H ALA A 405 9.065 -6.507 1.623 1.00 0.00 H new ATOM 0 HA ALA A 405 7.046 -4.843 2.582 1.00 0.00 H new ATOM 0 HB1 ALA A 405 5.808 -5.629 0.591 1.00 0.00 H new ATOM 0 HB2 ALA A 405 7.505 -5.252 0.210 1.00 0.00 H new ATOM 0 HB3 ALA A 405 6.988 -6.946 0.389 1.00 0.00 H new ATOM 1193 N PRO A 406 5.255 -6.109 3.742 1.00 0.00 N ATOM 1194 CA PRO A 406 4.250 -6.818 4.533 1.00 0.00 C ATOM 1195 C PRO A 406 3.322 -7.658 3.664 1.00 0.00 C ATOM 1196 O PRO A 406 3.230 -7.459 2.451 1.00 0.00 O ATOM 1197 CB PRO A 406 3.470 -5.694 5.231 1.00 0.00 C ATOM 1198 CG PRO A 406 3.723 -4.479 4.410 1.00 0.00 C ATOM 1199 CD PRO A 406 5.104 -4.648 3.845 1.00 0.00 C ATOM 0 HA PRO A 406 4.705 -7.523 5.229 1.00 0.00 H new ATOM 0 HB2 PRO A 406 2.405 -5.923 5.278 1.00 0.00 H new ATOM 0 HB3 PRO A 406 3.812 -5.555 6.257 1.00 0.00 H new ATOM 0 HG2 PRO A 406 2.984 -4.384 3.615 1.00 0.00 H new ATOM 0 HG3 PRO A 406 3.656 -3.576 5.017 1.00 0.00 H new ATOM 0 HD2 PRO A 406 5.202 -4.165 2.873 1.00 0.00 H new ATOM 0 HD3 PRO A 406 5.861 -4.211 4.496 1.00 0.00 H new ATOM 1207 N PHE A 407 2.641 -8.597 4.291 1.00 0.00 N ATOM 1208 CA PHE A 407 1.722 -9.471 3.583 1.00 0.00 C ATOM 1209 C PHE A 407 0.334 -8.838 3.530 1.00 0.00 C ATOM 1210 O PHE A 407 -0.016 -8.033 4.389 1.00 0.00 O ATOM 1211 CB PHE A 407 1.644 -10.839 4.276 1.00 0.00 C ATOM 1212 CG PHE A 407 2.863 -11.693 4.085 1.00 0.00 C ATOM 1213 CD1 PHE A 407 4.047 -11.398 4.742 1.00 0.00 C ATOM 1214 CD2 PHE A 407 2.818 -12.800 3.254 1.00 0.00 C ATOM 1215 CE1 PHE A 407 5.165 -12.191 4.572 1.00 0.00 C ATOM 1216 CE2 PHE A 407 3.932 -13.598 3.081 1.00 0.00 C ATOM 1217 CZ PHE A 407 5.107 -13.293 3.740 1.00 0.00 C ATOM 0 H PHE A 407 2.706 -8.776 5.293 1.00 0.00 H new ATOM 0 HA PHE A 407 2.090 -9.612 2.567 1.00 0.00 H new ATOM 0 HB2 PHE A 407 1.485 -10.685 5.343 1.00 0.00 H new ATOM 0 HB3 PHE A 407 0.774 -11.377 3.898 1.00 0.00 H new ATOM 0 HD1 PHE A 407 4.096 -10.539 5.394 1.00 0.00 H new ATOM 0 HD2 PHE A 407 1.902 -13.042 2.736 1.00 0.00 H new ATOM 0 HE1 PHE A 407 6.083 -11.950 5.088 1.00 0.00 H new ATOM 0 HE2 PHE A 407 3.884 -14.459 2.431 1.00 0.00 H new ATOM 0 HZ PHE A 407 5.980 -13.915 3.605 1.00 0.00 H new ATOM 1227 N PRO A 408 -0.460 -9.171 2.507 1.00 0.00 N ATOM 1228 CA PRO A 408 -1.837 -8.687 2.400 1.00 0.00 C ATOM 1229 C PRO A 408 -2.746 -9.327 3.450 1.00 0.00 C ATOM 1230 O PRO A 408 -2.797 -10.553 3.581 1.00 0.00 O ATOM 1231 CB PRO A 408 -2.252 -9.107 0.990 1.00 0.00 C ATOM 1232 CG PRO A 408 -1.382 -10.276 0.667 1.00 0.00 C ATOM 1233 CD PRO A 408 -0.078 -10.033 1.376 1.00 0.00 C ATOM 0 HA PRO A 408 -1.916 -7.613 2.571 1.00 0.00 H new ATOM 0 HB2 PRO A 408 -3.307 -9.377 0.953 1.00 0.00 H new ATOM 0 HB3 PRO A 408 -2.105 -8.296 0.277 1.00 0.00 H new ATOM 0 HG2 PRO A 408 -1.840 -11.207 1.001 1.00 0.00 H new ATOM 0 HG3 PRO A 408 -1.230 -10.364 -0.409 1.00 0.00 H new ATOM 0 HD2 PRO A 408 0.374 -10.965 1.716 1.00 0.00 H new ATOM 0 HD3 PRO A 408 0.648 -9.545 0.726 1.00 0.00 H new ATOM 1241 N GLU A 409 -3.442 -8.491 4.208 1.00 0.00 N ATOM 1242 CA GLU A 409 -4.348 -8.966 5.250 1.00 0.00 C ATOM 1243 C GLU A 409 -5.734 -8.353 5.072 1.00 0.00 C ATOM 1244 O GLU A 409 -5.894 -7.342 4.388 1.00 0.00 O ATOM 1245 CB GLU A 409 -3.806 -8.618 6.643 1.00 0.00 C ATOM 1246 CG GLU A 409 -2.290 -8.513 6.717 1.00 0.00 C ATOM 1247 CD GLU A 409 -1.822 -7.928 8.031 1.00 0.00 C ATOM 1248 OE1 GLU A 409 -1.781 -8.668 9.034 1.00 0.00 O ATOM 1249 OE2 GLU A 409 -1.512 -6.718 8.079 1.00 0.00 O ATOM 0 H GLU A 409 -3.398 -7.476 4.122 1.00 0.00 H new ATOM 0 HA GLU A 409 -4.422 -10.050 5.162 1.00 0.00 H new ATOM 0 HB2 GLU A 409 -4.240 -7.671 6.963 1.00 0.00 H new ATOM 0 HB3 GLU A 409 -4.141 -9.377 7.350 1.00 0.00 H new ATOM 0 HG2 GLU A 409 -1.852 -9.502 6.585 1.00 0.00 H new ATOM 0 HG3 GLU A 409 -1.930 -7.893 5.896 1.00 0.00 H new ATOM 1256 N ALA A 410 -6.735 -8.972 5.675 1.00 0.00 N ATOM 1257 CA ALA A 410 -8.084 -8.437 5.635 1.00 0.00 C ATOM 1258 C ALA A 410 -8.220 -7.313 6.655 1.00 0.00 C ATOM 1259 O ALA A 410 -7.941 -7.501 7.841 1.00 0.00 O ATOM 1260 CB ALA A 410 -9.107 -9.537 5.889 1.00 0.00 C ATOM 0 H ALA A 410 -6.639 -9.843 6.197 1.00 0.00 H new ATOM 0 HA ALA A 410 -8.278 -8.031 4.642 1.00 0.00 H new ATOM 0 HB1 ALA A 410 -10.111 -9.115 5.855 1.00 0.00 H new ATOM 0 HB2 ALA A 410 -9.011 -10.307 5.124 1.00 0.00 H new ATOM 0 HB3 ALA A 410 -8.932 -9.977 6.871 1.00 0.00 H new ATOM 1266 N ALA A 411 -8.619 -6.137 6.184 1.00 0.00 N ATOM 1267 CA ALA A 411 -8.726 -4.972 7.047 1.00 0.00 C ATOM 1268 C ALA A 411 -10.183 -4.680 7.404 1.00 0.00 C ATOM 1269 O ALA A 411 -10.790 -5.395 8.196 1.00 0.00 O ATOM 1270 CB ALA A 411 -8.083 -3.764 6.385 1.00 0.00 C ATOM 0 H ALA A 411 -8.873 -5.968 5.211 1.00 0.00 H new ATOM 0 HA ALA A 411 -8.194 -5.187 7.974 1.00 0.00 H new ATOM 0 HB1 ALA A 411 -8.171 -2.899 7.043 1.00 0.00 H new ATOM 0 HB2 ALA A 411 -7.030 -3.971 6.196 1.00 0.00 H new ATOM 0 HB3 ALA A 411 -8.587 -3.555 5.441 1.00 0.00 H new ATOM 1276 N LEU A 412 -10.740 -3.634 6.807 1.00 0.00 N ATOM 1277 CA LEU A 412 -12.120 -3.248 7.059 1.00 0.00 C ATOM 1278 C LEU A 412 -12.930 -3.371 5.780 1.00 0.00 C ATOM 1279 O LEU A 412 -12.643 -2.694 4.790 1.00 0.00 O ATOM 1280 CB LEU A 412 -12.191 -1.817 7.597 1.00 0.00 C ATOM 1281 CG LEU A 412 -12.841 -1.680 8.976 1.00 0.00 C ATOM 1282 CD1 LEU A 412 -11.811 -1.867 10.085 1.00 0.00 C ATOM 1283 CD2 LEU A 412 -13.527 -0.330 9.104 1.00 0.00 C ATOM 0 H LEU A 412 -10.252 -3.035 6.141 1.00 0.00 H new ATOM 0 HA LEU A 412 -12.538 -3.916 7.812 1.00 0.00 H new ATOM 0 HB2 LEU A 412 -11.180 -1.412 7.646 1.00 0.00 H new ATOM 0 HB3 LEU A 412 -12.746 -1.204 6.887 1.00 0.00 H new ATOM 0 HG LEU A 412 -13.592 -2.463 9.080 1.00 0.00 H new ATOM 0 HD11 LEU A 412 -12.298 -1.765 11.055 1.00 0.00 H new ATOM 0 HD12 LEU A 412 -11.366 -2.859 10.005 1.00 0.00 H new ATOM 0 HD13 LEU A 412 -11.032 -1.111 9.989 1.00 0.00 H new ATOM 0 HD21 LEU A 412 -13.985 -0.247 10.090 1.00 0.00 H new ATOM 0 HD22 LEU A 412 -12.792 0.465 8.977 1.00 0.00 H new ATOM 0 HD23 LEU A 412 -14.297 -0.239 8.338 1.00 0.00 H new ATOM 1295 N PRO A 413 -13.937 -4.255 5.778 1.00 0.00 N ATOM 1296 CA PRO A 413 -14.763 -4.503 4.600 1.00 0.00 C ATOM 1297 C PRO A 413 -15.632 -3.304 4.224 1.00 0.00 C ATOM 1298 O PRO A 413 -16.293 -2.699 5.075 1.00 0.00 O ATOM 1299 CB PRO A 413 -15.636 -5.692 5.007 1.00 0.00 C ATOM 1300 CG PRO A 413 -15.665 -5.657 6.496 1.00 0.00 C ATOM 1301 CD PRO A 413 -14.344 -5.084 6.926 1.00 0.00 C ATOM 0 HA PRO A 413 -14.151 -4.693 3.718 1.00 0.00 H new ATOM 0 HB2 PRO A 413 -16.640 -5.606 4.591 1.00 0.00 H new ATOM 0 HB3 PRO A 413 -15.219 -6.631 4.642 1.00 0.00 H new ATOM 0 HG2 PRO A 413 -16.491 -5.043 6.855 1.00 0.00 H new ATOM 0 HG3 PRO A 413 -15.808 -6.657 6.906 1.00 0.00 H new ATOM 0 HD2 PRO A 413 -14.441 -4.490 7.835 1.00 0.00 H new ATOM 0 HD3 PRO A 413 -13.615 -5.868 7.133 1.00 0.00 H new ATOM 1309 N THR A 414 -15.598 -2.966 2.942 1.00 0.00 N ATOM 1310 CA THR A 414 -16.440 -1.921 2.376 1.00 0.00 C ATOM 1311 C THR A 414 -17.925 -2.205 2.640 1.00 0.00 C ATOM 1312 O THR A 414 -18.364 -3.358 2.608 1.00 0.00 O ATOM 1313 CB THR A 414 -16.172 -1.806 0.862 1.00 0.00 C ATOM 1314 OG1 THR A 414 -14.872 -1.246 0.647 1.00 0.00 O ATOM 1315 CG2 THR A 414 -17.214 -0.947 0.169 1.00 0.00 C ATOM 0 H THR A 414 -14.982 -3.412 2.262 1.00 0.00 H new ATOM 0 HA THR A 414 -16.194 -0.975 2.858 1.00 0.00 H new ATOM 0 HB THR A 414 -16.226 -2.808 0.436 1.00 0.00 H new ATOM 0 HG1 THR A 414 -14.804 -0.388 1.116 1.00 0.00 H new ATOM 0 HG21 THR A 414 -16.989 -0.891 -0.896 1.00 0.00 H new ATOM 0 HG22 THR A 414 -18.201 -1.388 0.309 1.00 0.00 H new ATOM 0 HG23 THR A 414 -17.201 0.056 0.596 1.00 0.00 H new ATOM 1323 N SER A 415 -18.688 -1.153 2.918 1.00 0.00 N ATOM 1324 CA SER A 415 -20.091 -1.302 3.270 1.00 0.00 C ATOM 1325 C SER A 415 -20.992 -1.048 2.061 1.00 0.00 C ATOM 1326 O SER A 415 -20.605 -0.354 1.121 1.00 0.00 O ATOM 1327 CB SER A 415 -20.442 -0.331 4.398 1.00 0.00 C ATOM 1328 OG SER A 415 -19.491 -0.417 5.449 1.00 0.00 O ATOM 0 H SER A 415 -18.356 -0.189 2.906 1.00 0.00 H new ATOM 0 HA SER A 415 -20.257 -2.326 3.604 1.00 0.00 H new ATOM 0 HB2 SER A 415 -20.473 0.688 4.011 1.00 0.00 H new ATOM 0 HB3 SER A 415 -21.437 -0.556 4.782 1.00 0.00 H new ATOM 0 HG SER A 415 -19.732 0.213 6.160 1.00 0.00 H new