USER MOD reduce.3.24.130724 H: found=0, std=0, add=682, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 684 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 Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 19 TYR OH : rot 41:sc= -0.252 USER MOD Single : A 26 ASN : amide:sc= -0.394 X(o=-0.39,f=-0.56) USER MOD Single : A 27 SER OG : rot 19:sc= -1.78! USER MOD Single : A 31 THR OG1 : rot -160:sc= 0 USER MOD Single : A 35 GLN : amide:sc= -2.93! C(o=-2.9!,f=-3.5!) USER MOD Single : A 51 TYR OH : rot 165:sc= -0.961 USER MOD Single : A 57 THR OG1 : rot 180:sc= -0.358 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 77 HIS : no HD1:sc= -0.114 X(o=-0.11,f=-0.31) USER MOD Single : A 85 ASN : amide:sc= 0.474 K(o=0.47,f=-3.4!) USER MOD Single : A 86 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 MET CE :methyl -147:sc= -0.106 (180deg=-0.301) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 THR OG1 : rot 38:sc= 0.623 USER MOD Single : A 104 LYS NZ :NH3+ 144:sc= -0.434 (180deg=-2.11!) USER MOD Single : A 106 THR OG1 : rot 180:sc= 0 USER MOD Single : A 110 ASN : amide:sc= -0.0508 X(o=-0.051,f=0) USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 117 N PRO A 12 6.658 15.458 4.895 1.00 0.00 N ATOM 118 CA PRO A 12 5.777 14.523 4.189 1.00 0.00 C ATOM 119 C PRO A 12 5.469 13.281 5.018 1.00 0.00 C ATOM 120 O PRO A 12 6.374 12.635 5.547 1.00 0.00 O ATOM 121 CB PRO A 12 6.584 14.147 2.943 1.00 0.00 C ATOM 122 CG PRO A 12 8.005 14.362 3.333 1.00 0.00 C ATOM 123 CD PRO A 12 8.001 15.518 4.294 1.00 0.00 C ATOM 0 HA PRO A 12 4.806 14.966 3.967 1.00 0.00 H new ATOM 0 HB2 PRO A 12 6.405 13.112 2.653 1.00 0.00 H new ATOM 0 HB3 PRO A 12 6.309 14.768 2.091 1.00 0.00 H new ATOM 0 HG2 PRO A 12 8.421 13.469 3.799 1.00 0.00 H new ATOM 0 HG3 PRO A 12 8.620 14.582 2.460 1.00 0.00 H new ATOM 0 HD2 PRO A 12 8.783 15.417 5.047 1.00 0.00 H new ATOM 0 HD3 PRO A 12 8.171 16.466 3.783 1.00 0.00 H new ATOM 131 N ARG A 13 4.186 12.951 5.126 1.00 0.00 N ATOM 132 CA ARG A 13 3.758 11.786 5.891 1.00 0.00 C ATOM 133 C ARG A 13 2.838 10.897 5.060 1.00 0.00 C ATOM 134 O ARG A 13 1.723 11.289 4.715 1.00 0.00 O ATOM 135 CB ARG A 13 3.042 12.224 7.170 1.00 0.00 C ATOM 136 CG ARG A 13 3.176 11.232 8.314 1.00 0.00 C ATOM 137 CD ARG A 13 4.597 11.194 8.854 1.00 0.00 C ATOM 138 NE ARG A 13 5.006 12.481 9.409 1.00 0.00 N ATOM 139 CZ ARG A 13 4.709 12.879 10.640 1.00 0.00 C ATOM 140 NH1 ARG A 13 4.003 12.094 11.442 1.00 0.00 N ATOM 141 NH2 ARG A 13 5.117 14.066 11.073 1.00 0.00 N ATOM 0 H ARG A 13 3.425 13.474 4.693 1.00 0.00 H new ATOM 0 HA ARG A 13 4.646 11.212 6.157 1.00 0.00 H new ATOM 0 HB2 ARG A 13 3.441 13.188 7.487 1.00 0.00 H new ATOM 0 HB3 ARG A 13 1.985 12.373 6.951 1.00 0.00 H new ATOM 0 HG2 ARG A 13 2.488 11.503 9.115 1.00 0.00 H new ATOM 0 HG3 ARG A 13 2.889 10.238 7.971 1.00 0.00 H new ATOM 0 HD2 ARG A 13 4.672 10.427 9.625 1.00 0.00 H new ATOM 0 HD3 ARG A 13 5.281 10.910 8.054 1.00 0.00 H new ATOM 0 HE ARG A 13 5.550 13.109 8.818 1.00 0.00 H new ATOM 0 HH11 ARG A 13 3.687 11.182 11.114 1.00 0.00 H new ATOM 0 HH12 ARG A 13 3.776 12.402 12.387 1.00 0.00 H new ATOM 0 HH21 ARG A 13 5.660 14.674 10.459 1.00 0.00 H new ATOM 0 HH22 ARG A 13 4.888 14.370 12.019 1.00 0.00 H new ATOM 155 N PHE A 14 3.314 9.698 4.740 1.00 0.00 N ATOM 156 CA PHE A 14 2.535 8.753 3.947 1.00 0.00 C ATOM 157 C PHE A 14 1.102 8.662 4.463 1.00 0.00 C ATOM 158 O PHE A 14 0.818 9.026 5.604 1.00 0.00 O ATOM 159 CB PHE A 14 3.189 7.370 3.975 1.00 0.00 C ATOM 160 CG PHE A 14 4.299 7.212 2.976 1.00 0.00 C ATOM 161 CD1 PHE A 14 4.017 6.979 1.639 1.00 0.00 C ATOM 162 CD2 PHE A 14 5.624 7.295 3.373 1.00 0.00 C ATOM 163 CE1 PHE A 14 5.037 6.832 0.718 1.00 0.00 C ATOM 164 CE2 PHE A 14 6.648 7.149 2.456 1.00 0.00 C ATOM 165 CZ PHE A 14 6.354 6.918 1.126 1.00 0.00 C ATOM 0 H PHE A 14 4.235 9.358 5.017 1.00 0.00 H new ATOM 0 HA PHE A 14 2.510 9.114 2.919 1.00 0.00 H new ATOM 0 HB2 PHE A 14 3.581 7.182 4.975 1.00 0.00 H new ATOM 0 HB3 PHE A 14 2.428 6.613 3.784 1.00 0.00 H new ATOM 0 HD1 PHE A 14 2.989 6.912 1.314 1.00 0.00 H new ATOM 0 HD2 PHE A 14 5.859 7.476 4.411 1.00 0.00 H new ATOM 0 HE1 PHE A 14 4.804 6.650 -0.321 1.00 0.00 H new ATOM 0 HE2 PHE A 14 7.676 7.215 2.779 1.00 0.00 H new ATOM 0 HZ PHE A 14 7.152 6.805 0.407 1.00 0.00 H new ATOM 175 N GLU A 15 0.203 8.172 3.614 1.00 0.00 N ATOM 176 CA GLU A 15 -1.200 8.034 3.985 1.00 0.00 C ATOM 177 C GLU A 15 -1.341 7.323 5.328 1.00 0.00 C ATOM 178 O GLU A 15 -2.005 7.818 6.239 1.00 0.00 O ATOM 179 CB GLU A 15 -1.962 7.263 2.905 1.00 0.00 C ATOM 180 CG GLU A 15 -2.555 8.153 1.825 1.00 0.00 C ATOM 181 CD GLU A 15 -3.799 7.557 1.196 1.00 0.00 C ATOM 182 OE1 GLU A 15 -4.607 6.956 1.935 1.00 0.00 O ATOM 183 OE2 GLU A 15 -3.965 7.690 -0.034 1.00 0.00 O ATOM 0 H GLU A 15 0.422 7.865 2.666 1.00 0.00 H new ATOM 0 HA GLU A 15 -1.625 9.034 4.077 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -1.288 6.543 2.441 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -2.764 6.693 3.375 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -2.799 9.125 2.254 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -1.808 8.325 1.050 1.00 0.00 H new ATOM 190 N LYS A 16 -0.712 6.159 5.443 1.00 0.00 N ATOM 191 CA LYS A 16 -0.765 5.378 6.673 1.00 0.00 C ATOM 192 C LYS A 16 0.639 5.067 7.181 1.00 0.00 C ATOM 193 O LYS A 16 1.575 4.920 6.396 1.00 0.00 O ATOM 194 CB LYS A 16 -1.536 4.076 6.443 1.00 0.00 C ATOM 195 CG LYS A 16 -2.680 4.214 5.453 1.00 0.00 C ATOM 196 CD LYS A 16 -3.071 2.870 4.863 1.00 0.00 C ATOM 197 CE LYS A 16 -3.618 3.019 3.451 1.00 0.00 C ATOM 198 NZ LYS A 16 -4.615 1.961 3.128 1.00 0.00 N ATOM 0 H LYS A 16 -0.159 5.735 4.698 1.00 0.00 H new ATOM 0 HA LYS A 16 -1.282 5.970 7.428 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -0.845 3.313 6.084 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -1.931 3.724 7.396 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -3.542 4.658 5.951 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -2.389 4.893 4.652 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -2.203 2.211 4.850 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -3.821 2.397 5.497 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -4.081 4.000 3.343 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -2.796 2.974 2.736 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -4.964 2.097 2.158 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -4.167 1.026 3.207 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -5.412 2.020 3.794 1.00 0.00 H new ATOM 212 N SER A 17 0.778 4.966 8.499 1.00 0.00 N ATOM 213 CA SER A 17 2.069 4.675 9.112 1.00 0.00 C ATOM 214 C SER A 17 2.603 3.327 8.638 1.00 0.00 C ATOM 215 O SER A 17 3.799 3.172 8.391 1.00 0.00 O ATOM 216 CB SER A 17 1.946 4.679 10.637 1.00 0.00 C ATOM 217 OG SER A 17 1.375 5.892 11.099 1.00 0.00 O ATOM 0 H SER A 17 0.012 5.081 9.163 1.00 0.00 H new ATOM 0 HA SER A 17 2.771 5.452 8.809 1.00 0.00 H new ATOM 0 HB2 SER A 17 1.331 3.838 10.958 1.00 0.00 H new ATOM 0 HB3 SER A 17 2.930 4.543 11.085 1.00 0.00 H new ATOM 0 HG SER A 17 1.305 5.869 12.076 1.00 0.00 H new ATOM 223 N VAL A 18 1.707 2.353 8.512 1.00 0.00 N ATOM 224 CA VAL A 18 2.086 1.018 8.066 1.00 0.00 C ATOM 225 C VAL A 18 1.110 0.489 7.021 1.00 0.00 C ATOM 226 O VAL A 18 0.020 0.023 7.354 1.00 0.00 O ATOM 227 CB VAL A 18 2.144 0.028 9.245 1.00 0.00 C ATOM 228 CG1 VAL A 18 2.491 -1.369 8.753 1.00 0.00 C ATOM 229 CG2 VAL A 18 3.147 0.500 10.287 1.00 0.00 C ATOM 0 H VAL A 18 0.713 2.464 8.713 1.00 0.00 H new ATOM 0 HA VAL A 18 3.078 1.103 7.622 1.00 0.00 H new ATOM 0 HB VAL A 18 1.160 -0.012 9.713 1.00 0.00 H new ATOM 0 HG11 VAL A 18 2.527 -2.054 9.600 1.00 0.00 H new ATOM 0 HG12 VAL A 18 1.732 -1.705 8.047 1.00 0.00 H new ATOM 0 HG13 VAL A 18 3.463 -1.350 8.260 1.00 0.00 H new ATOM 0 HG21 VAL A 18 3.175 -0.211 11.113 1.00 0.00 H new ATOM 0 HG22 VAL A 18 4.136 0.570 9.834 1.00 0.00 H new ATOM 0 HG23 VAL A 18 2.849 1.479 10.661 1.00 0.00 H new ATOM 239 N TYR A 19 1.508 0.565 5.756 1.00 0.00 N ATOM 240 CA TYR A 19 0.668 0.096 4.661 1.00 0.00 C ATOM 241 C TYR A 19 0.370 -1.394 4.802 1.00 0.00 C ATOM 242 O TYR A 19 1.229 -2.236 4.546 1.00 0.00 O ATOM 243 CB TYR A 19 1.347 0.366 3.317 1.00 0.00 C ATOM 244 CG TYR A 19 1.111 1.763 2.790 1.00 0.00 C ATOM 245 CD1 TYR A 19 1.306 2.875 3.600 1.00 0.00 C ATOM 246 CD2 TYR A 19 0.694 1.971 1.481 1.00 0.00 C ATOM 247 CE1 TYR A 19 1.091 4.153 3.122 1.00 0.00 C ATOM 248 CE2 TYR A 19 0.478 3.246 0.994 1.00 0.00 C ATOM 249 CZ TYR A 19 0.677 4.334 1.819 1.00 0.00 C ATOM 250 OH TYR A 19 0.464 5.606 1.339 1.00 0.00 O ATOM 0 H TYR A 19 2.407 0.947 5.464 1.00 0.00 H new ATOM 0 HA TYR A 19 -0.274 0.642 4.701 1.00 0.00 H new ATOM 0 HB2 TYR A 19 2.420 0.203 3.422 1.00 0.00 H new ATOM 0 HB3 TYR A 19 0.985 -0.356 2.585 1.00 0.00 H new ATOM 0 HD1 TYR A 19 1.631 2.738 4.621 1.00 0.00 H new ATOM 0 HD2 TYR A 19 0.536 1.122 0.833 1.00 0.00 H new ATOM 0 HE1 TYR A 19 1.246 5.006 3.766 1.00 0.00 H new ATOM 0 HE2 TYR A 19 0.155 3.390 -0.027 1.00 0.00 H new ATOM 0 HH TYR A 19 1.170 6.202 1.666 1.00 0.00 H new ATOM 260 N GLU A 20 -0.855 -1.710 5.211 1.00 0.00 N ATOM 261 CA GLU A 20 -1.267 -3.097 5.387 1.00 0.00 C ATOM 262 C GLU A 20 -2.269 -3.508 4.311 1.00 0.00 C ATOM 263 O GLU A 20 -3.444 -3.149 4.373 1.00 0.00 O ATOM 264 CB GLU A 20 -1.881 -3.298 6.774 1.00 0.00 C ATOM 265 CG GLU A 20 -1.739 -4.716 7.303 1.00 0.00 C ATOM 266 CD GLU A 20 -1.982 -4.808 8.797 1.00 0.00 C ATOM 267 OE1 GLU A 20 -3.003 -4.265 9.267 1.00 0.00 O ATOM 268 OE2 GLU A 20 -1.150 -5.425 9.495 1.00 0.00 O ATOM 0 H GLU A 20 -1.579 -1.024 5.426 1.00 0.00 H new ATOM 0 HA GLU A 20 -0.382 -3.726 5.295 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -1.409 -2.609 7.474 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -2.939 -3.038 6.735 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -2.443 -5.366 6.783 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -0.738 -5.085 7.078 1.00 0.00 H new ATOM 275 N ALA A 21 -1.793 -4.262 3.326 1.00 0.00 N ATOM 276 CA ALA A 21 -2.646 -4.723 2.237 1.00 0.00 C ATOM 277 C ALA A 21 -2.570 -6.238 2.084 1.00 0.00 C ATOM 278 O ALA A 21 -1.841 -6.910 2.814 1.00 0.00 O ATOM 279 CB ALA A 21 -2.256 -4.039 0.935 1.00 0.00 C ATOM 0 H ALA A 21 -0.822 -4.567 3.259 1.00 0.00 H new ATOM 0 HA ALA A 21 -3.676 -4.460 2.479 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -2.901 -4.393 0.131 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -2.369 -2.960 1.043 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -1.218 -4.273 0.697 1.00 0.00 H new ATOM 285 N ASP A 22 -3.328 -6.771 1.132 1.00 0.00 N ATOM 286 CA ASP A 22 -3.346 -8.207 0.883 1.00 0.00 C ATOM 287 C ASP A 22 -2.754 -8.529 -0.486 1.00 0.00 C ATOM 288 O ASP A 22 -3.277 -8.102 -1.516 1.00 0.00 O ATOM 289 CB ASP A 22 -4.775 -8.744 0.973 1.00 0.00 C ATOM 290 CG ASP A 22 -5.631 -8.313 -0.201 1.00 0.00 C ATOM 291 OD1 ASP A 22 -5.395 -7.208 -0.734 1.00 0.00 O ATOM 292 OD2 ASP A 22 -6.537 -9.080 -0.588 1.00 0.00 O ATOM 0 H ASP A 22 -3.938 -6.229 0.520 1.00 0.00 H new ATOM 0 HA ASP A 22 -2.736 -8.690 1.646 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -4.749 -9.833 1.019 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -5.233 -8.397 1.899 1.00 0.00 H new ATOM 297 N LEU A 23 -1.661 -9.284 -0.489 1.00 0.00 N ATOM 298 CA LEU A 23 -0.996 -9.663 -1.731 1.00 0.00 C ATOM 299 C LEU A 23 -1.214 -11.142 -2.036 1.00 0.00 C ATOM 300 O LEU A 23 -1.175 -11.983 -1.138 1.00 0.00 O ATOM 301 CB LEU A 23 0.501 -9.363 -1.644 1.00 0.00 C ATOM 302 CG LEU A 23 1.283 -9.458 -2.955 1.00 0.00 C ATOM 303 CD1 LEU A 23 1.348 -10.900 -3.433 1.00 0.00 C ATOM 304 CD2 LEU A 23 0.652 -8.570 -4.017 1.00 0.00 C ATOM 0 H LEU A 23 -1.216 -9.646 0.355 1.00 0.00 H new ATOM 0 HA LEU A 23 -1.430 -9.076 -2.540 1.00 0.00 H new ATOM 0 HB2 LEU A 23 0.627 -8.358 -1.241 1.00 0.00 H new ATOM 0 HB3 LEU A 23 0.948 -10.052 -0.927 1.00 0.00 H new ATOM 0 HG LEU A 23 2.300 -9.110 -2.776 1.00 0.00 H new ATOM 0 HD11 LEU A 23 1.908 -10.949 -4.367 1.00 0.00 H new ATOM 0 HD12 LEU A 23 1.845 -11.511 -2.680 1.00 0.00 H new ATOM 0 HD13 LEU A 23 0.338 -11.275 -3.596 1.00 0.00 H new ATOM 0 HD21 LEU A 23 1.221 -8.650 -4.943 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -0.375 -8.888 -4.194 1.00 0.00 H new ATOM 0 HD23 LEU A 23 0.658 -7.535 -3.676 1.00 0.00 H new ATOM 316 N ALA A 24 -1.440 -11.451 -3.308 1.00 0.00 N ATOM 317 CA ALA A 24 -1.659 -12.829 -3.732 1.00 0.00 C ATOM 318 C ALA A 24 -0.335 -13.554 -3.948 1.00 0.00 C ATOM 319 O ALA A 24 0.463 -13.166 -4.801 1.00 0.00 O ATOM 320 CB ALA A 24 -2.495 -12.863 -5.003 1.00 0.00 C ATOM 0 H ALA A 24 -1.476 -10.766 -4.063 1.00 0.00 H new ATOM 0 HA ALA A 24 -2.201 -13.345 -2.940 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -2.651 -13.898 -5.308 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -3.459 -12.390 -4.817 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -1.974 -12.325 -5.795 1.00 0.00 H new ATOM 326 N GLU A 25 -0.108 -14.606 -3.168 1.00 0.00 N ATOM 327 CA GLU A 25 1.121 -15.384 -3.274 1.00 0.00 C ATOM 328 C GLU A 25 1.432 -15.715 -4.731 1.00 0.00 C ATOM 329 O GLU A 25 2.552 -15.515 -5.199 1.00 0.00 O ATOM 330 CB GLU A 25 1.007 -16.674 -2.460 1.00 0.00 C ATOM 331 CG GLU A 25 -0.046 -17.635 -2.987 1.00 0.00 C ATOM 332 CD GLU A 25 -0.442 -18.683 -1.966 1.00 0.00 C ATOM 333 OE1 GLU A 25 -0.247 -18.437 -0.757 1.00 0.00 O ATOM 334 OE2 GLU A 25 -0.948 -19.749 -2.375 1.00 0.00 O ATOM 0 H GLU A 25 -0.758 -14.939 -2.456 1.00 0.00 H new ATOM 0 HA GLU A 25 1.937 -14.782 -2.874 1.00 0.00 H new ATOM 0 HB2 GLU A 25 1.974 -17.176 -2.453 1.00 0.00 H new ATOM 0 HB3 GLU A 25 0.772 -16.422 -1.426 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -0.930 -17.071 -3.285 1.00 0.00 H new ATOM 0 HG3 GLU A 25 0.334 -18.129 -3.881 1.00 0.00 H new ATOM 341 N ASN A 26 0.431 -16.222 -5.443 1.00 0.00 N ATOM 342 CA ASN A 26 0.596 -16.582 -6.847 1.00 0.00 C ATOM 343 C ASN A 26 0.239 -15.410 -7.755 1.00 0.00 C ATOM 344 O ASN A 26 -0.450 -15.578 -8.761 1.00 0.00 O ATOM 345 CB ASN A 26 -0.275 -17.792 -7.191 1.00 0.00 C ATOM 346 CG ASN A 26 0.031 -18.353 -8.566 1.00 0.00 C ATOM 347 OD1 ASN A 26 1.191 -18.569 -8.916 1.00 0.00 O ATOM 348 ND2 ASN A 26 -1.011 -18.592 -9.353 1.00 0.00 N ATOM 0 H ASN A 26 -0.503 -16.393 -5.071 1.00 0.00 H new ATOM 0 HA ASN A 26 1.643 -16.838 -7.009 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -0.124 -18.570 -6.442 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -1.325 -17.505 -7.144 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -0.867 -18.970 -10.289 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -1.956 -18.398 -9.021 1.00 0.00 H new ATOM 355 N SER A 27 0.713 -14.222 -7.393 1.00 0.00 N ATOM 356 CA SER A 27 0.442 -13.020 -8.173 1.00 0.00 C ATOM 357 C SER A 27 1.492 -12.831 -9.263 1.00 0.00 C ATOM 358 O SER A 27 2.692 -12.838 -8.991 1.00 0.00 O ATOM 359 CB SER A 27 0.409 -11.792 -7.261 1.00 0.00 C ATOM 360 OG SER A 27 1.680 -11.553 -6.681 1.00 0.00 O ATOM 0 H SER A 27 1.287 -14.066 -6.564 1.00 0.00 H new ATOM 0 HA SER A 27 -0.532 -13.137 -8.648 1.00 0.00 H new ATOM 0 HB2 SER A 27 0.097 -10.918 -7.833 1.00 0.00 H new ATOM 0 HB3 SER A 27 -0.331 -11.939 -6.475 1.00 0.00 H new ATOM 0 HG SER A 27 2.369 -12.016 -7.202 1.00 0.00 H new ATOM 366 N ALA A 28 1.031 -12.663 -10.498 1.00 0.00 N ATOM 367 CA ALA A 28 1.929 -12.471 -11.629 1.00 0.00 C ATOM 368 C ALA A 28 2.901 -11.325 -11.369 1.00 0.00 C ATOM 369 O ALA A 28 2.728 -10.529 -10.446 1.00 0.00 O ATOM 370 CB ALA A 28 1.131 -12.210 -12.898 1.00 0.00 C ATOM 0 H ALA A 28 0.040 -12.656 -10.740 1.00 0.00 H new ATOM 0 HA ALA A 28 2.510 -13.384 -11.759 1.00 0.00 H new ATOM 0 HB1 ALA A 28 1.815 -12.068 -13.735 1.00 0.00 H new ATOM 0 HB2 ALA A 28 0.481 -13.061 -13.100 1.00 0.00 H new ATOM 0 HB3 ALA A 28 0.525 -11.313 -12.769 1.00 0.00 H new ATOM 376 N PRO A 29 3.950 -11.237 -12.201 1.00 0.00 N ATOM 377 CA PRO A 29 4.970 -10.192 -12.081 1.00 0.00 C ATOM 378 C PRO A 29 4.435 -8.813 -12.453 1.00 0.00 C ATOM 379 O PRO A 29 5.199 -7.862 -12.609 1.00 0.00 O ATOM 380 CB PRO A 29 6.048 -10.633 -13.074 1.00 0.00 C ATOM 381 CG PRO A 29 5.323 -11.462 -14.077 1.00 0.00 C ATOM 382 CD PRO A 29 4.219 -12.151 -13.324 1.00 0.00 C ATOM 0 HA PRO A 29 5.330 -10.090 -11.057 1.00 0.00 H new ATOM 0 HB2 PRO A 29 6.529 -9.775 -13.543 1.00 0.00 H new ATOM 0 HB3 PRO A 29 6.832 -11.206 -12.579 1.00 0.00 H new ATOM 0 HG2 PRO A 29 4.921 -10.842 -14.878 1.00 0.00 H new ATOM 0 HG3 PRO A 29 5.992 -12.188 -14.540 1.00 0.00 H new ATOM 0 HD2 PRO A 29 3.336 -12.293 -13.947 1.00 0.00 H new ATOM 0 HD3 PRO A 29 4.525 -13.137 -12.975 1.00 0.00 H new ATOM 390 N GLY A 30 3.117 -8.713 -12.593 1.00 0.00 N ATOM 391 CA GLY A 30 2.502 -7.447 -12.945 1.00 0.00 C ATOM 392 C GLY A 30 1.371 -7.071 -12.008 1.00 0.00 C ATOM 393 O GLY A 30 0.981 -5.905 -11.929 1.00 0.00 O ATOM 0 H GLY A 30 2.464 -9.487 -12.469 1.00 0.00 H new ATOM 0 HA2 GLY A 30 3.259 -6.662 -12.929 1.00 0.00 H new ATOM 0 HA3 GLY A 30 2.121 -7.503 -13.965 1.00 0.00 H new ATOM 397 N THR A 31 0.841 -8.060 -11.296 1.00 0.00 N ATOM 398 CA THR A 31 -0.254 -7.828 -10.362 1.00 0.00 C ATOM 399 C THR A 31 0.015 -6.605 -9.493 1.00 0.00 C ATOM 400 O THR A 31 0.993 -6.547 -8.747 1.00 0.00 O ATOM 401 CB THR A 31 -0.485 -9.050 -9.453 1.00 0.00 C ATOM 402 OG1 THR A 31 -0.731 -10.214 -10.250 1.00 0.00 O ATOM 403 CG2 THR A 31 -1.660 -8.813 -8.517 1.00 0.00 C ATOM 0 H THR A 31 1.152 -9.030 -11.348 1.00 0.00 H new ATOM 0 HA THR A 31 -1.149 -7.655 -10.960 1.00 0.00 H new ATOM 0 HB THR A 31 0.412 -9.204 -8.853 1.00 0.00 H new ATOM 0 HG1 THR A 31 -1.180 -10.894 -9.706 1.00 0.00 H new ATOM 0 HG21 THR A 31 -1.804 -9.689 -7.885 1.00 0.00 H new ATOM 0 HG22 THR A 31 -1.457 -7.944 -7.891 1.00 0.00 H new ATOM 0 HG23 THR A 31 -2.562 -8.636 -9.103 1.00 0.00 H new ATOM 411 N PRO A 32 -0.872 -5.604 -9.588 1.00 0.00 N ATOM 412 CA PRO A 32 -0.752 -4.364 -8.815 1.00 0.00 C ATOM 413 C PRO A 32 -1.008 -4.580 -7.328 1.00 0.00 C ATOM 414 O PRO A 32 -1.854 -5.390 -6.946 1.00 0.00 O ATOM 415 CB PRO A 32 -1.833 -3.464 -9.419 1.00 0.00 C ATOM 416 CG PRO A 32 -2.837 -4.406 -9.986 1.00 0.00 C ATOM 417 CD PRO A 32 -2.061 -5.605 -10.457 1.00 0.00 C ATOM 0 HA PRO A 32 0.252 -3.944 -8.871 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -2.279 -2.819 -8.662 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -1.421 -2.813 -10.190 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -3.574 -4.689 -9.235 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -3.382 -3.946 -10.810 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -2.637 -6.524 -10.349 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -1.790 -5.520 -11.509 1.00 0.00 H new ATOM 425 N ILE A 33 -0.274 -3.853 -6.494 1.00 0.00 N ATOM 426 CA ILE A 33 -0.424 -3.965 -5.048 1.00 0.00 C ATOM 427 C ILE A 33 -1.163 -2.759 -4.477 1.00 0.00 C ATOM 428 O ILE A 33 -2.283 -2.882 -3.980 1.00 0.00 O ATOM 429 CB ILE A 33 0.943 -4.094 -4.349 1.00 0.00 C ATOM 430 CG1 ILE A 33 1.672 -5.349 -4.833 1.00 0.00 C ATOM 431 CG2 ILE A 33 0.763 -4.129 -2.838 1.00 0.00 C ATOM 432 CD1 ILE A 33 3.116 -5.418 -4.389 1.00 0.00 C ATOM 0 H ILE A 33 0.431 -3.180 -6.794 1.00 0.00 H new ATOM 0 HA ILE A 33 -1.006 -4.867 -4.860 1.00 0.00 H new ATOM 0 HB ILE A 33 1.549 -3.224 -4.604 1.00 0.00 H new ATOM 0 HG12 ILE A 33 1.145 -6.230 -4.466 1.00 0.00 H new ATOM 0 HG13 ILE A 33 1.633 -5.385 -5.922 1.00 0.00 H new ATOM 0 HG21 ILE A 33 1.737 -4.220 -2.358 1.00 0.00 H new ATOM 0 HG22 ILE A 33 0.280 -3.209 -2.508 1.00 0.00 H new ATOM 0 HG23 ILE A 33 0.142 -4.983 -2.565 1.00 0.00 H new ATOM 0 HD11 ILE A 33 3.570 -6.334 -4.768 1.00 0.00 H new ATOM 0 HD12 ILE A 33 3.658 -4.556 -4.778 1.00 0.00 H new ATOM 0 HD13 ILE A 33 3.162 -5.414 -3.300 1.00 0.00 H new ATOM 444 N LEU A 34 -0.529 -1.594 -4.553 1.00 0.00 N ATOM 445 CA LEU A 34 -1.127 -0.364 -4.045 1.00 0.00 C ATOM 446 C LEU A 34 -0.316 0.854 -4.475 1.00 0.00 C ATOM 447 O LEU A 34 0.884 0.753 -4.727 1.00 0.00 O ATOM 448 CB LEU A 34 -1.225 -0.413 -2.519 1.00 0.00 C ATOM 449 CG LEU A 34 0.056 -0.793 -1.776 1.00 0.00 C ATOM 450 CD1 LEU A 34 0.984 0.407 -1.665 1.00 0.00 C ATOM 451 CD2 LEU A 34 -0.270 -1.346 -0.397 1.00 0.00 C ATOM 0 H LEU A 34 0.398 -1.475 -4.961 1.00 0.00 H new ATOM 0 HA LEU A 34 -2.129 -0.277 -4.464 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -1.550 0.565 -2.164 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -2.004 -1.126 -2.248 1.00 0.00 H new ATOM 0 HG LEU A 34 0.566 -1.570 -2.345 1.00 0.00 H new ATOM 0 HD11 LEU A 34 1.891 0.118 -1.133 1.00 0.00 H new ATOM 0 HD12 LEU A 34 1.245 0.759 -2.663 1.00 0.00 H new ATOM 0 HD13 LEU A 34 0.482 1.206 -1.119 1.00 0.00 H new ATOM 0 HD21 LEU A 34 0.654 -1.611 0.117 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -0.803 -0.591 0.181 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -0.895 -2.233 -0.499 1.00 0.00 H new ATOM 463 N GLN A 35 -0.979 2.003 -4.553 1.00 0.00 N ATOM 464 CA GLN A 35 -0.318 3.240 -4.951 1.00 0.00 C ATOM 465 C GLN A 35 0.017 4.094 -3.733 1.00 0.00 C ATOM 466 O GLN A 35 -0.856 4.750 -3.162 1.00 0.00 O ATOM 467 CB GLN A 35 -1.206 4.031 -5.914 1.00 0.00 C ATOM 468 CG GLN A 35 -0.586 5.339 -6.378 1.00 0.00 C ATOM 469 CD GLN A 35 -1.495 6.118 -7.308 1.00 0.00 C ATOM 470 OE1 GLN A 35 -2.712 5.925 -7.312 1.00 0.00 O ATOM 471 NE2 GLN A 35 -0.909 7.005 -8.104 1.00 0.00 N ATOM 0 H GLN A 35 -1.973 2.103 -4.346 1.00 0.00 H new ATOM 0 HA GLN A 35 0.612 2.979 -5.456 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -1.424 3.413 -6.785 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -2.158 4.242 -5.427 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -0.349 5.953 -5.509 1.00 0.00 H new ATOM 0 HG3 GLN A 35 0.355 5.130 -6.887 1.00 0.00 H new ATOM 0 HE21 GLN A 35 0.102 7.133 -8.068 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -1.470 7.558 -8.751 1.00 0.00 H new ATOM 480 N LEU A 36 1.286 4.082 -3.339 1.00 0.00 N ATOM 481 CA LEU A 36 1.737 4.856 -2.188 1.00 0.00 C ATOM 482 C LEU A 36 1.411 6.336 -2.365 1.00 0.00 C ATOM 483 O LEU A 36 1.702 6.925 -3.405 1.00 0.00 O ATOM 484 CB LEU A 36 3.242 4.674 -1.984 1.00 0.00 C ATOM 485 CG LEU A 36 3.664 3.479 -1.129 1.00 0.00 C ATOM 486 CD1 LEU A 36 3.892 2.253 -1.999 1.00 0.00 C ATOM 487 CD2 LEU A 36 4.917 3.810 -0.331 1.00 0.00 C ATOM 0 H LEU A 36 2.021 3.545 -3.800 1.00 0.00 H new ATOM 0 HA LEU A 36 1.210 4.490 -1.307 1.00 0.00 H new ATOM 0 HB2 LEU A 36 3.712 4.579 -2.963 1.00 0.00 H new ATOM 0 HB3 LEU A 36 3.639 5.580 -1.527 1.00 0.00 H new ATOM 0 HG LEU A 36 2.859 3.256 -0.428 1.00 0.00 H new ATOM 0 HD11 LEU A 36 4.192 1.413 -1.372 1.00 0.00 H new ATOM 0 HD12 LEU A 36 2.970 2.003 -2.524 1.00 0.00 H new ATOM 0 HD13 LEU A 36 4.678 2.463 -2.725 1.00 0.00 H new ATOM 0 HD21 LEU A 36 5.203 2.948 0.272 1.00 0.00 H new ATOM 0 HD22 LEU A 36 5.728 4.060 -1.015 1.00 0.00 H new ATOM 0 HD23 LEU A 36 4.718 4.660 0.322 1.00 0.00 H new ATOM 499 N ARG A 37 0.808 6.930 -1.340 1.00 0.00 N ATOM 500 CA ARG A 37 0.445 8.341 -1.382 1.00 0.00 C ATOM 501 C ARG A 37 0.715 9.013 -0.039 1.00 0.00 C ATOM 502 O ARG A 37 0.939 8.341 0.968 1.00 0.00 O ATOM 503 CB ARG A 37 -1.031 8.499 -1.754 1.00 0.00 C ATOM 504 CG ARG A 37 -1.271 8.625 -3.250 1.00 0.00 C ATOM 505 CD ARG A 37 -0.756 9.951 -3.787 1.00 0.00 C ATOM 506 NE ARG A 37 -1.720 11.031 -3.596 1.00 0.00 N ATOM 507 CZ ARG A 37 -1.646 12.202 -4.220 1.00 0.00 C ATOM 508 NH1 ARG A 37 -0.657 12.442 -5.070 1.00 0.00 N ATOM 509 NH2 ARG A 37 -2.562 13.135 -3.994 1.00 0.00 N ATOM 0 H ARG A 37 0.561 6.456 -0.471 1.00 0.00 H new ATOM 0 HA ARG A 37 1.059 8.825 -2.141 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -1.586 7.640 -1.376 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -1.431 9.382 -1.255 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -0.776 7.804 -3.769 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -2.337 8.537 -3.457 1.00 0.00 H new ATOM 0 HD2 ARG A 37 0.178 10.206 -3.287 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -0.531 9.849 -4.849 1.00 0.00 H new ATOM 0 HE ARG A 37 -2.493 10.878 -2.948 1.00 0.00 H new ATOM 0 HH11 ARG A 37 0.049 11.727 -5.246 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -0.602 13.341 -5.548 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -3.324 12.954 -3.341 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -2.504 14.033 -4.474 1.00 0.00 H new ATOM 697 N TYR A 51 8.356 8.408 -4.177 1.00 0.00 N ATOM 698 CA TYR A 51 8.314 7.229 -3.321 1.00 0.00 C ATOM 699 C TYR A 51 9.369 6.211 -3.743 1.00 0.00 C ATOM 700 O TYR A 51 9.220 5.528 -4.756 1.00 0.00 O ATOM 701 CB TYR A 51 6.925 6.589 -3.366 1.00 0.00 C ATOM 702 CG TYR A 51 5.798 7.574 -3.154 1.00 0.00 C ATOM 703 CD1 TYR A 51 5.604 8.183 -1.920 1.00 0.00 C ATOM 704 CD2 TYR A 51 4.927 7.896 -4.188 1.00 0.00 C ATOM 705 CE1 TYR A 51 4.575 9.083 -1.722 1.00 0.00 C ATOM 706 CE2 TYR A 51 3.896 8.796 -3.999 1.00 0.00 C ATOM 707 CZ TYR A 51 3.723 9.386 -2.764 1.00 0.00 C ATOM 708 OH TYR A 51 2.698 10.283 -2.571 1.00 0.00 O ATOM 0 HA TYR A 51 8.528 7.545 -2.300 1.00 0.00 H new ATOM 0 HB2 TYR A 51 6.791 6.098 -4.330 1.00 0.00 H new ATOM 0 HB3 TYR A 51 6.867 5.813 -2.603 1.00 0.00 H new ATOM 0 HD1 TYR A 51 6.269 7.949 -1.102 1.00 0.00 H new ATOM 0 HD2 TYR A 51 5.058 7.435 -5.156 1.00 0.00 H new ATOM 0 HE1 TYR A 51 4.438 9.547 -0.756 1.00 0.00 H new ATOM 0 HE2 TYR A 51 3.229 9.036 -4.814 1.00 0.00 H new ATOM 0 HH TYR A 51 2.345 10.568 -3.440 1.00 0.00 H new ATOM 718 N VAL A 52 10.437 6.115 -2.957 1.00 0.00 N ATOM 719 CA VAL A 52 11.518 5.180 -3.246 1.00 0.00 C ATOM 720 C VAL A 52 11.611 4.099 -2.175 1.00 0.00 C ATOM 721 O VAL A 52 10.968 4.191 -1.128 1.00 0.00 O ATOM 722 CB VAL A 52 12.874 5.904 -3.349 1.00 0.00 C ATOM 723 CG1 VAL A 52 12.880 6.861 -4.530 1.00 0.00 C ATOM 724 CG2 VAL A 52 13.184 6.639 -2.054 1.00 0.00 C ATOM 0 H VAL A 52 10.577 6.674 -2.115 1.00 0.00 H new ATOM 0 HA VAL A 52 11.288 4.717 -4.206 1.00 0.00 H new ATOM 0 HB VAL A 52 13.653 5.159 -3.513 1.00 0.00 H new ATOM 0 HG11 VAL A 52 13.846 7.363 -4.587 1.00 0.00 H new ATOM 0 HG12 VAL A 52 12.706 6.304 -5.451 1.00 0.00 H new ATOM 0 HG13 VAL A 52 12.092 7.603 -4.401 1.00 0.00 H new ATOM 0 HG21 VAL A 52 14.145 7.145 -2.144 1.00 0.00 H new ATOM 0 HG22 VAL A 52 12.404 7.374 -1.857 1.00 0.00 H new ATOM 0 HG23 VAL A 52 13.225 5.925 -1.231 1.00 0.00 H new ATOM 734 N PHE A 53 12.415 3.076 -2.442 1.00 0.00 N ATOM 735 CA PHE A 53 12.593 1.977 -1.501 1.00 0.00 C ATOM 736 C PHE A 53 13.511 2.386 -0.353 1.00 0.00 C ATOM 737 O PHE A 53 14.731 2.246 -0.440 1.00 0.00 O ATOM 738 CB PHE A 53 13.167 0.752 -2.217 1.00 0.00 C ATOM 739 CG PHE A 53 12.116 -0.167 -2.769 1.00 0.00 C ATOM 740 CD1 PHE A 53 11.274 -0.868 -1.920 1.00 0.00 C ATOM 741 CD2 PHE A 53 11.969 -0.332 -4.137 1.00 0.00 C ATOM 742 CE1 PHE A 53 10.305 -1.715 -2.424 1.00 0.00 C ATOM 743 CE2 PHE A 53 11.002 -1.177 -4.647 1.00 0.00 C ATOM 744 CZ PHE A 53 10.170 -1.870 -3.790 1.00 0.00 C ATOM 0 H PHE A 53 12.954 2.985 -3.303 1.00 0.00 H new ATOM 0 HA PHE A 53 11.616 1.724 -1.089 1.00 0.00 H new ATOM 0 HB2 PHE A 53 13.810 1.085 -3.031 1.00 0.00 H new ATOM 0 HB3 PHE A 53 13.795 0.196 -1.521 1.00 0.00 H new ATOM 0 HD1 PHE A 53 11.376 -0.751 -0.851 1.00 0.00 H new ATOM 0 HD2 PHE A 53 12.618 0.206 -4.812 1.00 0.00 H new ATOM 0 HE1 PHE A 53 9.655 -2.254 -1.751 1.00 0.00 H new ATOM 0 HE2 PHE A 53 10.897 -1.295 -5.715 1.00 0.00 H new ATOM 0 HZ PHE A 53 9.415 -2.532 -4.187 1.00 0.00 H new ATOM 754 N GLY A 54 12.915 2.893 0.722 1.00 0.00 N ATOM 755 CA GLY A 54 13.694 3.315 1.871 1.00 0.00 C ATOM 756 C GLY A 54 14.513 2.186 2.463 1.00 0.00 C ATOM 757 O GLY A 54 15.537 1.794 1.904 1.00 0.00 O ATOM 0 H GLY A 54 11.907 3.019 0.817 1.00 0.00 H new ATOM 0 HA2 GLY A 54 14.359 4.127 1.577 1.00 0.00 H new ATOM 0 HA3 GLY A 54 13.024 3.713 2.634 1.00 0.00 H new ATOM 761 N ALA A 55 14.064 1.663 3.599 1.00 0.00 N ATOM 762 CA ALA A 55 14.763 0.572 4.267 1.00 0.00 C ATOM 763 C ALA A 55 14.279 -0.782 3.760 1.00 0.00 C ATOM 764 O ALA A 55 13.547 -1.490 4.452 1.00 0.00 O ATOM 765 CB ALA A 55 14.577 0.670 5.774 1.00 0.00 C ATOM 0 H ALA A 55 13.219 1.977 4.076 1.00 0.00 H new ATOM 0 HA ALA A 55 15.825 0.659 4.036 1.00 0.00 H new ATOM 0 HB1 ALA A 55 15.104 -0.151 6.260 1.00 0.00 H new ATOM 0 HB2 ALA A 55 14.978 1.619 6.129 1.00 0.00 H new ATOM 0 HB3 ALA A 55 13.515 0.612 6.014 1.00 0.00 H new ATOM 771 N ALA A 56 14.691 -1.137 2.547 1.00 0.00 N ATOM 772 CA ALA A 56 14.301 -2.407 1.948 1.00 0.00 C ATOM 773 C ALA A 56 15.524 -3.231 1.562 1.00 0.00 C ATOM 774 O ALA A 56 16.654 -2.743 1.606 1.00 0.00 O ATOM 775 CB ALA A 56 13.418 -2.167 0.732 1.00 0.00 C ATOM 0 H ALA A 56 15.295 -0.562 1.960 1.00 0.00 H new ATOM 0 HA ALA A 56 13.735 -2.972 2.689 1.00 0.00 H new ATOM 0 HB1 ALA A 56 13.134 -3.124 0.294 1.00 0.00 H new ATOM 0 HB2 ALA A 56 12.521 -1.626 1.034 1.00 0.00 H new ATOM 0 HB3 ALA A 56 13.965 -1.579 -0.005 1.00 0.00 H new ATOM 781 N THR A 57 15.292 -4.485 1.185 1.00 0.00 N ATOM 782 CA THR A 57 16.376 -5.378 0.794 1.00 0.00 C ATOM 783 C THR A 57 16.383 -5.605 -0.714 1.00 0.00 C ATOM 784 O THR A 57 15.393 -5.341 -1.395 1.00 0.00 O ATOM 785 CB THR A 57 16.267 -6.739 1.507 1.00 0.00 C ATOM 786 OG1 THR A 57 17.127 -7.693 0.874 1.00 0.00 O ATOM 787 CG2 THR A 57 14.834 -7.248 1.486 1.00 0.00 C ATOM 0 H THR A 57 14.363 -4.905 1.142 1.00 0.00 H new ATOM 0 HA THR A 57 17.307 -4.895 1.090 1.00 0.00 H new ATOM 0 HB THR A 57 16.573 -6.606 2.545 1.00 0.00 H new ATOM 0 HG1 THR A 57 17.054 -8.555 1.334 1.00 0.00 H new ATOM 0 HG21 THR A 57 14.782 -8.210 1.995 1.00 0.00 H new ATOM 0 HG22 THR A 57 14.187 -6.533 1.994 1.00 0.00 H new ATOM 0 HG23 THR A 57 14.505 -7.366 0.454 1.00 0.00 H new ATOM 795 N GLU A 58 17.506 -6.098 -1.228 1.00 0.00 N ATOM 796 CA GLU A 58 17.640 -6.360 -2.656 1.00 0.00 C ATOM 797 C GLU A 58 16.596 -7.370 -3.124 1.00 0.00 C ATOM 798 O GLU A 58 16.283 -7.450 -4.311 1.00 0.00 O ATOM 799 CB GLU A 58 19.045 -6.879 -2.971 1.00 0.00 C ATOM 800 CG GLU A 58 19.358 -8.219 -2.326 1.00 0.00 C ATOM 801 CD GLU A 58 20.844 -8.518 -2.296 1.00 0.00 C ATOM 802 OE1 GLU A 58 21.577 -7.817 -1.569 1.00 0.00 O ATOM 803 OE2 GLU A 58 21.274 -9.456 -3.001 1.00 0.00 O ATOM 0 H GLU A 58 18.335 -6.324 -0.678 1.00 0.00 H new ATOM 0 HA GLU A 58 17.478 -5.423 -3.189 1.00 0.00 H new ATOM 0 HB2 GLU A 58 19.155 -6.971 -4.051 1.00 0.00 H new ATOM 0 HB3 GLU A 58 19.778 -6.145 -2.637 1.00 0.00 H new ATOM 0 HG2 GLU A 58 18.969 -8.228 -1.308 1.00 0.00 H new ATOM 0 HG3 GLU A 58 18.843 -9.010 -2.871 1.00 0.00 H new ATOM 810 N SER A 59 16.061 -8.139 -2.181 1.00 0.00 N ATOM 811 CA SER A 59 15.056 -9.147 -2.496 1.00 0.00 C ATOM 812 C SER A 59 13.674 -8.514 -2.627 1.00 0.00 C ATOM 813 O SER A 59 12.809 -9.025 -3.338 1.00 0.00 O ATOM 814 CB SER A 59 15.032 -10.230 -1.416 1.00 0.00 C ATOM 815 OG SER A 59 16.327 -10.765 -1.202 1.00 0.00 O ATOM 0 H SER A 59 16.307 -8.083 -1.193 1.00 0.00 H new ATOM 0 HA SER A 59 15.321 -9.602 -3.451 1.00 0.00 H new ATOM 0 HB2 SER A 59 14.650 -9.811 -0.485 1.00 0.00 H new ATOM 0 HB3 SER A 59 14.350 -11.027 -1.711 1.00 0.00 H new ATOM 0 HG SER A 59 16.285 -11.454 -0.506 1.00 0.00 H new ATOM 821 N VAL A 60 13.474 -7.396 -1.935 1.00 0.00 N ATOM 822 CA VAL A 60 12.199 -6.691 -1.974 1.00 0.00 C ATOM 823 C VAL A 60 12.050 -5.896 -3.266 1.00 0.00 C ATOM 824 O VAL A 60 10.965 -5.832 -3.846 1.00 0.00 O ATOM 825 CB VAL A 60 12.050 -5.735 -0.776 1.00 0.00 C ATOM 826 CG1 VAL A 60 10.954 -4.713 -1.040 1.00 0.00 C ATOM 827 CG2 VAL A 60 11.765 -6.517 0.498 1.00 0.00 C ATOM 0 H VAL A 60 14.179 -6.960 -1.341 1.00 0.00 H new ATOM 0 HA VAL A 60 11.417 -7.448 -1.925 1.00 0.00 H new ATOM 0 HB VAL A 60 12.990 -5.198 -0.644 1.00 0.00 H new ATOM 0 HG11 VAL A 60 10.864 -4.046 -0.182 1.00 0.00 H new ATOM 0 HG12 VAL A 60 11.205 -4.131 -1.927 1.00 0.00 H new ATOM 0 HG13 VAL A 60 10.007 -5.228 -1.200 1.00 0.00 H new ATOM 0 HG21 VAL A 60 11.663 -5.825 1.334 1.00 0.00 H new ATOM 0 HG22 VAL A 60 10.840 -7.082 0.379 1.00 0.00 H new ATOM 0 HG23 VAL A 60 12.588 -7.205 0.694 1.00 0.00 H new ATOM 837 N ARG A 61 13.146 -5.291 -3.712 1.00 0.00 N ATOM 838 CA ARG A 61 13.137 -4.498 -4.936 1.00 0.00 C ATOM 839 C ARG A 61 13.051 -5.398 -6.165 1.00 0.00 C ATOM 840 O ARG A 61 12.340 -5.092 -7.123 1.00 0.00 O ATOM 841 CB ARG A 61 14.392 -3.628 -5.014 1.00 0.00 C ATOM 842 CG ARG A 61 15.677 -4.425 -5.169 1.00 0.00 C ATOM 843 CD ARG A 61 16.884 -3.512 -5.322 1.00 0.00 C ATOM 844 NE ARG A 61 18.052 -4.228 -5.826 1.00 0.00 N ATOM 845 CZ ARG A 61 18.139 -4.717 -7.058 1.00 0.00 C ATOM 846 NH1 ARG A 61 17.132 -4.566 -7.907 1.00 0.00 N ATOM 847 NH2 ARG A 61 19.235 -5.357 -7.443 1.00 0.00 N ATOM 0 H ARG A 61 14.051 -5.335 -3.244 1.00 0.00 H new ATOM 0 HA ARG A 61 12.258 -3.854 -4.916 1.00 0.00 H new ATOM 0 HB2 ARG A 61 14.296 -2.942 -5.855 1.00 0.00 H new ATOM 0 HB3 ARG A 61 14.458 -3.019 -4.112 1.00 0.00 H new ATOM 0 HG2 ARG A 61 15.814 -5.069 -4.300 1.00 0.00 H new ATOM 0 HG3 ARG A 61 15.600 -5.077 -6.039 1.00 0.00 H new ATOM 0 HD2 ARG A 61 16.638 -2.697 -6.002 1.00 0.00 H new ATOM 0 HD3 ARG A 61 17.123 -3.062 -4.358 1.00 0.00 H new ATOM 0 HE ARG A 61 18.845 -4.360 -5.198 1.00 0.00 H new ATOM 0 HH11 ARG A 61 16.288 -4.073 -7.615 1.00 0.00 H new ATOM 0 HH12 ARG A 61 17.201 -4.942 -8.852 1.00 0.00 H new ATOM 0 HH21 ARG A 61 20.012 -5.474 -6.793 1.00 0.00 H new ATOM 0 HH22 ARG A 61 19.301 -5.732 -8.389 1.00 0.00 H new ATOM 861 N ARG A 62 13.780 -6.509 -6.131 1.00 0.00 N ATOM 862 CA ARG A 62 13.788 -7.452 -7.243 1.00 0.00 C ATOM 863 C ARG A 62 12.466 -8.208 -7.324 1.00 0.00 C ATOM 864 O ARG A 62 11.987 -8.530 -8.413 1.00 0.00 O ATOM 865 CB ARG A 62 14.945 -8.441 -7.092 1.00 0.00 C ATOM 866 CG ARG A 62 14.713 -9.490 -6.017 1.00 0.00 C ATOM 867 CD ARG A 62 15.986 -10.264 -5.709 1.00 0.00 C ATOM 868 NE ARG A 62 15.716 -11.480 -4.947 1.00 0.00 N ATOM 869 CZ ARG A 62 16.668 -12.246 -4.425 1.00 0.00 C ATOM 870 NH1 ARG A 62 17.944 -11.923 -4.582 1.00 0.00 N ATOM 871 NH2 ARG A 62 16.343 -13.338 -3.744 1.00 0.00 N ATOM 0 H ARG A 62 14.373 -6.778 -5.346 1.00 0.00 H new ATOM 0 HA ARG A 62 13.920 -6.886 -8.165 1.00 0.00 H new ATOM 0 HB2 ARG A 62 15.111 -8.941 -8.046 1.00 0.00 H new ATOM 0 HB3 ARG A 62 15.856 -7.889 -6.859 1.00 0.00 H new ATOM 0 HG2 ARG A 62 14.350 -9.008 -5.109 1.00 0.00 H new ATOM 0 HG3 ARG A 62 13.936 -10.181 -6.343 1.00 0.00 H new ATOM 0 HD2 ARG A 62 16.487 -10.524 -6.642 1.00 0.00 H new ATOM 0 HD3 ARG A 62 16.670 -9.628 -5.147 1.00 0.00 H new ATOM 0 HE ARG A 62 14.744 -11.756 -4.808 1.00 0.00 H new ATOM 0 HH11 ARG A 62 18.197 -11.084 -5.105 1.00 0.00 H new ATOM 0 HH12 ARG A 62 18.673 -12.513 -4.180 1.00 0.00 H new ATOM 0 HH21 ARG A 62 15.362 -13.589 -3.621 1.00 0.00 H new ATOM 0 HH22 ARG A 62 17.074 -13.926 -3.343 1.00 0.00 H new ATOM 885 N LEU A 63 11.879 -8.489 -6.166 1.00 0.00 N ATOM 886 CA LEU A 63 10.611 -9.209 -6.104 1.00 0.00 C ATOM 887 C LEU A 63 9.435 -8.255 -6.290 1.00 0.00 C ATOM 888 O LEU A 63 8.388 -8.638 -6.814 1.00 0.00 O ATOM 889 CB LEU A 63 10.483 -9.942 -4.768 1.00 0.00 C ATOM 890 CG LEU A 63 9.112 -10.550 -4.466 1.00 0.00 C ATOM 891 CD1 LEU A 63 8.801 -11.676 -5.439 1.00 0.00 C ATOM 892 CD2 LEU A 63 9.057 -11.052 -3.030 1.00 0.00 C ATOM 0 H LEU A 63 12.261 -8.229 -5.256 1.00 0.00 H new ATOM 0 HA LEU A 63 10.595 -9.939 -6.914 1.00 0.00 H new ATOM 0 HB2 LEU A 63 11.226 -10.739 -4.741 1.00 0.00 H new ATOM 0 HB3 LEU A 63 10.734 -9.245 -3.968 1.00 0.00 H new ATOM 0 HG LEU A 63 8.356 -9.774 -4.588 1.00 0.00 H new ATOM 0 HD11 LEU A 63 7.822 -12.096 -5.208 1.00 0.00 H new ATOM 0 HD12 LEU A 63 8.798 -11.287 -6.457 1.00 0.00 H new ATOM 0 HD13 LEU A 63 9.560 -12.454 -5.350 1.00 0.00 H new ATOM 0 HD21 LEU A 63 8.075 -11.481 -2.832 1.00 0.00 H new ATOM 0 HD22 LEU A 63 9.823 -11.813 -2.881 1.00 0.00 H new ATOM 0 HD23 LEU A 63 9.234 -10.221 -2.347 1.00 0.00 H new ATOM 904 N LEU A 64 9.615 -7.012 -5.858 1.00 0.00 N ATOM 905 CA LEU A 64 8.569 -6.002 -5.979 1.00 0.00 C ATOM 906 C LEU A 64 9.098 -4.751 -6.673 1.00 0.00 C ATOM 907 O LEU A 64 10.187 -4.270 -6.362 1.00 0.00 O ATOM 908 CB LEU A 64 8.021 -5.639 -4.597 1.00 0.00 C ATOM 909 CG LEU A 64 7.541 -6.809 -3.738 1.00 0.00 C ATOM 910 CD1 LEU A 64 7.762 -6.513 -2.262 1.00 0.00 C ATOM 911 CD2 LEU A 64 6.073 -7.104 -4.010 1.00 0.00 C ATOM 0 H LEU A 64 10.475 -6.679 -5.421 1.00 0.00 H new ATOM 0 HA LEU A 64 7.764 -6.418 -6.585 1.00 0.00 H new ATOM 0 HB2 LEU A 64 8.798 -5.106 -4.049 1.00 0.00 H new ATOM 0 HB3 LEU A 64 7.190 -4.945 -4.728 1.00 0.00 H new ATOM 0 HG LEU A 64 8.123 -7.692 -4.002 1.00 0.00 H new ATOM 0 HD11 LEU A 64 7.414 -7.357 -1.666 1.00 0.00 H new ATOM 0 HD12 LEU A 64 8.824 -6.352 -2.078 1.00 0.00 H new ATOM 0 HD13 LEU A 64 7.206 -5.618 -1.983 1.00 0.00 H new ATOM 0 HD21 LEU A 64 5.749 -7.940 -3.390 1.00 0.00 H new ATOM 0 HD22 LEU A 64 5.475 -6.224 -3.774 1.00 0.00 H new ATOM 0 HD23 LEU A 64 5.942 -7.360 -5.061 1.00 0.00 H new ATOM 923 N ARG A 65 8.317 -4.228 -7.613 1.00 0.00 N ATOM 924 CA ARG A 65 8.707 -3.032 -8.351 1.00 0.00 C ATOM 925 C ARG A 65 7.956 -1.807 -7.836 1.00 0.00 C ATOM 926 O ARG A 65 6.763 -1.876 -7.540 1.00 0.00 O ATOM 927 CB ARG A 65 8.436 -3.218 -9.845 1.00 0.00 C ATOM 928 CG ARG A 65 9.024 -2.117 -10.712 1.00 0.00 C ATOM 929 CD ARG A 65 10.527 -2.281 -10.878 1.00 0.00 C ATOM 930 NE ARG A 65 11.202 -0.998 -11.054 1.00 0.00 N ATOM 931 CZ ARG A 65 12.397 -0.868 -11.620 1.00 0.00 C ATOM 932 NH1 ARG A 65 13.044 -1.936 -12.063 1.00 0.00 N ATOM 933 NH2 ARG A 65 12.945 0.334 -11.744 1.00 0.00 N ATOM 0 H ARG A 65 7.411 -4.613 -7.881 1.00 0.00 H new ATOM 0 HA ARG A 65 9.775 -2.873 -8.199 1.00 0.00 H new ATOM 0 HB2 ARG A 65 8.845 -4.177 -10.163 1.00 0.00 H new ATOM 0 HB3 ARG A 65 7.359 -3.261 -10.008 1.00 0.00 H new ATOM 0 HG2 ARG A 65 8.545 -2.129 -11.691 1.00 0.00 H new ATOM 0 HG3 ARG A 65 8.810 -1.146 -10.264 1.00 0.00 H new ATOM 0 HD2 ARG A 65 10.935 -2.788 -10.004 1.00 0.00 H new ATOM 0 HD3 ARG A 65 10.729 -2.918 -11.739 1.00 0.00 H new ATOM 0 HE ARG A 65 10.730 -0.156 -10.724 1.00 0.00 H new ATOM 0 HH11 ARG A 65 12.625 -2.861 -11.970 1.00 0.00 H new ATOM 0 HH12 ARG A 65 13.961 -1.833 -12.497 1.00 0.00 H new ATOM 0 HH21 ARG A 65 12.449 1.158 -11.405 1.00 0.00 H new ATOM 0 HH22 ARG A 65 13.862 0.434 -12.178 1.00 0.00 H new ATOM 947 N LEU A 66 8.663 -0.687 -7.731 1.00 0.00 N ATOM 948 CA LEU A 66 8.065 0.553 -7.251 1.00 0.00 C ATOM 949 C LEU A 66 8.348 1.702 -8.213 1.00 0.00 C ATOM 950 O LEU A 66 9.467 1.853 -8.704 1.00 0.00 O ATOM 951 CB LEU A 66 8.599 0.895 -5.859 1.00 0.00 C ATOM 952 CG LEU A 66 8.184 2.255 -5.297 1.00 0.00 C ATOM 953 CD1 LEU A 66 6.697 2.271 -4.981 1.00 0.00 C ATOM 954 CD2 LEU A 66 8.998 2.590 -4.055 1.00 0.00 C ATOM 0 H LEU A 66 9.651 -0.613 -7.972 1.00 0.00 H new ATOM 0 HA LEU A 66 6.986 0.409 -7.194 1.00 0.00 H new ATOM 0 HB2 LEU A 66 8.270 0.122 -5.165 1.00 0.00 H new ATOM 0 HB3 LEU A 66 9.688 0.853 -5.889 1.00 0.00 H new ATOM 0 HG LEU A 66 8.382 3.014 -6.053 1.00 0.00 H new ATOM 0 HD11 LEU A 66 6.420 3.247 -4.582 1.00 0.00 H new ATOM 0 HD12 LEU A 66 6.130 2.077 -5.891 1.00 0.00 H new ATOM 0 HD13 LEU A 66 6.474 1.501 -4.243 1.00 0.00 H new ATOM 0 HD21 LEU A 66 8.689 3.561 -3.669 1.00 0.00 H new ATOM 0 HD22 LEU A 66 8.832 1.827 -3.294 1.00 0.00 H new ATOM 0 HD23 LEU A 66 10.057 2.622 -4.312 1.00 0.00 H new ATOM 966 N ASP A 67 7.327 2.511 -8.478 1.00 0.00 N ATOM 967 CA ASP A 67 7.467 3.649 -9.379 1.00 0.00 C ATOM 968 C ASP A 67 7.529 4.957 -8.597 1.00 0.00 C ATOM 969 O ASP A 67 6.659 5.240 -7.774 1.00 0.00 O ATOM 970 CB ASP A 67 6.303 3.687 -10.370 1.00 0.00 C ATOM 971 CG ASP A 67 6.481 2.704 -11.510 1.00 0.00 C ATOM 972 OD1 ASP A 67 7.536 2.753 -12.177 1.00 0.00 O ATOM 973 OD2 ASP A 67 5.566 1.885 -11.736 1.00 0.00 O ATOM 0 H ASP A 67 6.394 2.399 -8.082 1.00 0.00 H new ATOM 0 HA ASP A 67 8.400 3.532 -9.930 1.00 0.00 H new ATOM 0 HB2 ASP A 67 5.375 3.465 -9.844 1.00 0.00 H new ATOM 0 HB3 ASP A 67 6.207 4.695 -10.775 1.00 0.00 H new ATOM 978 N GLU A 68 8.563 5.750 -8.859 1.00 0.00 N ATOM 979 CA GLU A 68 8.739 7.027 -8.178 1.00 0.00 C ATOM 980 C GLU A 68 8.112 8.163 -8.981 1.00 0.00 C ATOM 981 O GLU A 68 7.813 9.229 -8.442 1.00 0.00 O ATOM 982 CB GLU A 68 10.225 7.308 -7.950 1.00 0.00 C ATOM 983 CG GLU A 68 10.579 8.785 -7.998 1.00 0.00 C ATOM 984 CD GLU A 68 11.898 9.092 -7.316 1.00 0.00 C ATOM 985 OE1 GLU A 68 12.640 8.137 -7.004 1.00 0.00 O ATOM 986 OE2 GLU A 68 12.189 10.286 -7.094 1.00 0.00 O ATOM 0 H GLU A 68 9.292 5.530 -9.538 1.00 0.00 H new ATOM 0 HA GLU A 68 8.236 6.967 -7.213 1.00 0.00 H new ATOM 0 HB2 GLU A 68 10.518 6.904 -6.981 1.00 0.00 H new ATOM 0 HB3 GLU A 68 10.806 6.779 -8.705 1.00 0.00 H new ATOM 0 HG2 GLU A 68 10.628 9.109 -9.037 1.00 0.00 H new ATOM 0 HG3 GLU A 68 9.785 9.361 -7.521 1.00 0.00 H new ATOM 993 N THR A 69 7.915 7.927 -10.274 1.00 0.00 N ATOM 994 CA THR A 69 7.326 8.929 -11.153 1.00 0.00 C ATOM 995 C THR A 69 5.811 8.976 -10.995 1.00 0.00 C ATOM 996 O THR A 69 5.182 10.001 -11.256 1.00 0.00 O ATOM 997 CB THR A 69 7.669 8.653 -12.629 1.00 0.00 C ATOM 998 OG1 THR A 69 7.044 9.630 -13.469 1.00 0.00 O ATOM 999 CG2 THR A 69 7.214 7.260 -13.039 1.00 0.00 C ATOM 0 H THR A 69 8.155 7.050 -10.736 1.00 0.00 H new ATOM 0 HA THR A 69 7.749 9.891 -10.864 1.00 0.00 H new ATOM 0 HB THR A 69 8.751 8.714 -12.745 1.00 0.00 H new ATOM 0 HG1 THR A 69 7.269 9.448 -14.405 1.00 0.00 H new ATOM 0 HG21 THR A 69 7.467 7.088 -14.085 1.00 0.00 H new ATOM 0 HG22 THR A 69 7.714 6.517 -12.418 1.00 0.00 H new ATOM 0 HG23 THR A 69 6.135 7.176 -12.908 1.00 0.00 H new ATOM 1007 N SER A 70 5.230 7.860 -10.566 1.00 0.00 N ATOM 1008 CA SER A 70 3.787 7.773 -10.377 1.00 0.00 C ATOM 1009 C SER A 70 3.450 7.409 -8.934 1.00 0.00 C ATOM 1010 O SER A 70 2.450 7.869 -8.383 1.00 0.00 O ATOM 1011 CB SER A 70 3.187 6.738 -11.330 1.00 0.00 C ATOM 1012 OG SER A 70 3.788 5.467 -11.146 1.00 0.00 O ATOM 0 H SER A 70 5.737 7.003 -10.343 1.00 0.00 H new ATOM 0 HA SER A 70 3.357 8.750 -10.597 1.00 0.00 H new ATOM 0 HB2 SER A 70 2.113 6.664 -11.162 1.00 0.00 H new ATOM 0 HB3 SER A 70 3.326 7.064 -12.361 1.00 0.00 H new ATOM 0 HG SER A 70 3.386 4.822 -11.765 1.00 0.00 H new ATOM 1018 N GLY A 71 4.292 6.578 -8.327 1.00 0.00 N ATOM 1019 CA GLY A 71 4.067 6.165 -6.955 1.00 0.00 C ATOM 1020 C GLY A 71 3.189 4.934 -6.856 1.00 0.00 C ATOM 1021 O GLY A 71 2.432 4.778 -5.898 1.00 0.00 O ATOM 0 H GLY A 71 5.126 6.184 -8.762 1.00 0.00 H new ATOM 0 HA2 GLY A 71 5.026 5.963 -6.478 1.00 0.00 H new ATOM 0 HA3 GLY A 71 3.603 6.983 -6.404 1.00 0.00 H new ATOM 1025 N TRP A 72 3.288 4.058 -7.849 1.00 0.00 N ATOM 1026 CA TRP A 72 2.495 2.834 -7.871 1.00 0.00 C ATOM 1027 C TRP A 72 3.355 1.622 -7.530 1.00 0.00 C ATOM 1028 O TRP A 72 4.452 1.456 -8.065 1.00 0.00 O ATOM 1029 CB TRP A 72 1.847 2.646 -9.244 1.00 0.00 C ATOM 1030 CG TRP A 72 0.477 3.245 -9.341 1.00 0.00 C ATOM 1031 CD1 TRP A 72 0.161 4.503 -9.768 1.00 0.00 C ATOM 1032 CD2 TRP A 72 -0.761 2.611 -9.004 1.00 0.00 C ATOM 1033 NE1 TRP A 72 -1.199 4.690 -9.715 1.00 0.00 N ATOM 1034 CE2 TRP A 72 -1.788 3.543 -9.251 1.00 0.00 C ATOM 1035 CE3 TRP A 72 -1.103 1.346 -8.519 1.00 0.00 C ATOM 1036 CZ2 TRP A 72 -3.130 3.249 -9.027 1.00 0.00 C ATOM 1037 CZ3 TRP A 72 -2.436 1.055 -8.297 1.00 0.00 C ATOM 1038 CH2 TRP A 72 -3.436 2.003 -8.552 1.00 0.00 C ATOM 0 H TRP A 72 3.910 4.172 -8.650 1.00 0.00 H new ATOM 0 HA TRP A 72 1.713 2.924 -7.118 1.00 0.00 H new ATOM 0 HB2 TRP A 72 2.487 3.095 -10.004 1.00 0.00 H new ATOM 0 HB3 TRP A 72 1.787 1.581 -9.467 1.00 0.00 H new ATOM 0 HD1 TRP A 72 0.875 5.242 -10.099 1.00 0.00 H new ATOM 0 HE1 TRP A 72 -1.691 5.544 -9.978 1.00 0.00 H new ATOM 0 HE3 TRP A 72 -0.339 0.609 -8.321 1.00 0.00 H new ATOM 0 HZ2 TRP A 72 -3.902 3.979 -9.221 1.00 0.00 H new ATOM 0 HZ3 TRP A 72 -2.711 0.081 -7.921 1.00 0.00 H new ATOM 0 HH2 TRP A 72 -4.469 1.745 -8.370 1.00 0.00 H new ATOM 1049 N LEU A 73 2.851 0.776 -6.638 1.00 0.00 N ATOM 1050 CA LEU A 73 3.573 -0.422 -6.226 1.00 0.00 C ATOM 1051 C LEU A 73 2.872 -1.680 -6.728 1.00 0.00 C ATOM 1052 O LEU A 73 1.676 -1.869 -6.502 1.00 0.00 O ATOM 1053 CB LEU A 73 3.699 -0.468 -4.703 1.00 0.00 C ATOM 1054 CG LEU A 73 4.945 -1.162 -4.152 1.00 0.00 C ATOM 1055 CD1 LEU A 73 5.049 -0.958 -2.648 1.00 0.00 C ATOM 1056 CD2 LEU A 73 4.924 -2.645 -4.491 1.00 0.00 C ATOM 0 H LEU A 73 1.945 0.898 -6.186 1.00 0.00 H new ATOM 0 HA LEU A 73 4.570 -0.384 -6.665 1.00 0.00 H new ATOM 0 HB2 LEU A 73 3.681 0.555 -4.326 1.00 0.00 H new ATOM 0 HB3 LEU A 73 2.820 -0.971 -4.301 1.00 0.00 H new ATOM 0 HG LEU A 73 5.822 -0.716 -4.620 1.00 0.00 H new ATOM 0 HD11 LEU A 73 5.942 -1.459 -2.274 1.00 0.00 H new ATOM 0 HD12 LEU A 73 5.112 0.108 -2.429 1.00 0.00 H new ATOM 0 HD13 LEU A 73 4.168 -1.377 -2.162 1.00 0.00 H new ATOM 0 HD21 LEU A 73 5.818 -3.122 -4.091 1.00 0.00 H new ATOM 0 HD22 LEU A 73 4.039 -3.106 -4.052 1.00 0.00 H new ATOM 0 HD23 LEU A 73 4.899 -2.770 -5.573 1.00 0.00 H new ATOM 1068 N SER A 74 3.624 -2.540 -7.409 1.00 0.00 N ATOM 1069 CA SER A 74 3.074 -3.780 -7.944 1.00 0.00 C ATOM 1070 C SER A 74 4.116 -4.894 -7.914 1.00 0.00 C ATOM 1071 O SER A 74 5.291 -4.653 -7.638 1.00 0.00 O ATOM 1072 CB SER A 74 2.580 -3.567 -9.376 1.00 0.00 C ATOM 1073 OG SER A 74 3.664 -3.360 -10.264 1.00 0.00 O ATOM 0 H SER A 74 4.616 -2.400 -7.603 1.00 0.00 H new ATOM 0 HA SER A 74 2.233 -4.076 -7.317 1.00 0.00 H new ATOM 0 HB2 SER A 74 2.003 -4.434 -9.698 1.00 0.00 H new ATOM 0 HB3 SER A 74 1.910 -2.708 -9.409 1.00 0.00 H new ATOM 0 HG SER A 74 3.322 -3.228 -11.173 1.00 0.00 H new ATOM 1079 N VAL A 75 3.676 -6.115 -8.199 1.00 0.00 N ATOM 1080 CA VAL A 75 4.569 -7.267 -8.206 1.00 0.00 C ATOM 1081 C VAL A 75 5.518 -7.220 -9.399 1.00 0.00 C ATOM 1082 O VAL A 75 5.143 -6.784 -10.488 1.00 0.00 O ATOM 1083 CB VAL A 75 3.779 -8.589 -8.245 1.00 0.00 C ATOM 1084 CG1 VAL A 75 4.725 -9.778 -8.171 1.00 0.00 C ATOM 1085 CG2 VAL A 75 2.762 -8.635 -7.115 1.00 0.00 C ATOM 0 H VAL A 75 2.706 -6.332 -8.428 1.00 0.00 H new ATOM 0 HA VAL A 75 5.148 -7.224 -7.283 1.00 0.00 H new ATOM 0 HB VAL A 75 3.240 -8.643 -9.191 1.00 0.00 H new ATOM 0 HG11 VAL A 75 4.149 -10.703 -8.200 1.00 0.00 H new ATOM 0 HG12 VAL A 75 5.411 -9.751 -9.018 1.00 0.00 H new ATOM 0 HG13 VAL A 75 5.294 -9.733 -7.242 1.00 0.00 H new ATOM 0 HG21 VAL A 75 2.213 -9.576 -7.158 1.00 0.00 H new ATOM 0 HG22 VAL A 75 3.278 -8.559 -6.158 1.00 0.00 H new ATOM 0 HG23 VAL A 75 2.065 -7.803 -7.219 1.00 0.00 H new ATOM 1095 N LEU A 76 6.749 -7.672 -9.186 1.00 0.00 N ATOM 1096 CA LEU A 76 7.753 -7.682 -10.244 1.00 0.00 C ATOM 1097 C LEU A 76 8.090 -9.110 -10.662 1.00 0.00 C ATOM 1098 O LEU A 76 8.225 -9.405 -11.850 1.00 0.00 O ATOM 1099 CB LEU A 76 9.020 -6.963 -9.779 1.00 0.00 C ATOM 1100 CG LEU A 76 10.064 -6.675 -10.858 1.00 0.00 C ATOM 1101 CD1 LEU A 76 9.498 -5.733 -11.910 1.00 0.00 C ATOM 1102 CD2 LEU A 76 11.325 -6.089 -10.239 1.00 0.00 C ATOM 0 H LEU A 76 7.076 -8.036 -8.291 1.00 0.00 H new ATOM 0 HA LEU A 76 7.341 -7.158 -11.106 1.00 0.00 H new ATOM 0 HB2 LEU A 76 8.730 -6.017 -9.321 1.00 0.00 H new ATOM 0 HB3 LEU A 76 9.489 -7.564 -8.999 1.00 0.00 H new ATOM 0 HG LEU A 76 10.325 -7.615 -11.343 1.00 0.00 H new ATOM 0 HD11 LEU A 76 10.255 -5.539 -12.670 1.00 0.00 H new ATOM 0 HD12 LEU A 76 8.625 -6.190 -12.376 1.00 0.00 H new ATOM 0 HD13 LEU A 76 9.208 -4.794 -11.439 1.00 0.00 H new ATOM 0 HD21 LEU A 76 12.057 -5.891 -11.022 1.00 0.00 H new ATOM 0 HD22 LEU A 76 11.080 -5.158 -9.727 1.00 0.00 H new ATOM 0 HD23 LEU A 76 11.742 -6.798 -9.524 1.00 0.00 H new ATOM 1114 N HIS A 77 8.221 -9.993 -9.678 1.00 0.00 N ATOM 1115 CA HIS A 77 8.539 -11.392 -9.943 1.00 0.00 C ATOM 1116 C HIS A 77 7.631 -12.318 -9.139 1.00 0.00 C ATOM 1117 O HIS A 77 7.254 -12.005 -8.010 1.00 0.00 O ATOM 1118 CB HIS A 77 10.003 -11.677 -9.608 1.00 0.00 C ATOM 1119 CG HIS A 77 10.950 -11.327 -10.714 1.00 0.00 C ATOM 1120 ND1 HIS A 77 10.695 -11.606 -12.040 1.00 0.00 N ATOM 1121 CD2 HIS A 77 12.157 -10.715 -10.685 1.00 0.00 C ATOM 1122 CE1 HIS A 77 11.705 -11.182 -12.779 1.00 0.00 C ATOM 1123 NE2 HIS A 77 12.605 -10.638 -11.981 1.00 0.00 N ATOM 0 H HIS A 77 8.112 -9.765 -8.690 1.00 0.00 H new ATOM 0 HA HIS A 77 8.374 -11.581 -11.004 1.00 0.00 H new ATOM 0 HB2 HIS A 77 10.278 -11.117 -8.714 1.00 0.00 H new ATOM 0 HB3 HIS A 77 10.113 -12.735 -9.368 1.00 0.00 H new ATOM 0 HD2 HIS A 77 12.672 -10.355 -9.807 1.00 0.00 H new ATOM 0 HE1 HIS A 77 11.781 -11.266 -13.853 1.00 0.00 H new ATOM 0 HE2 HIS A 77 13.490 -10.227 -12.279 1.00 0.00 H new ATOM 1132 N ARG A 78 7.283 -13.457 -9.729 1.00 0.00 N ATOM 1133 CA ARG A 78 6.418 -14.426 -9.069 1.00 0.00 C ATOM 1134 C ARG A 78 6.733 -14.509 -7.578 1.00 0.00 C ATOM 1135 O ARG A 78 7.834 -14.166 -7.146 1.00 0.00 O ATOM 1136 CB ARG A 78 6.577 -15.805 -9.712 1.00 0.00 C ATOM 1137 CG ARG A 78 6.304 -15.816 -11.207 1.00 0.00 C ATOM 1138 CD ARG A 78 7.592 -15.719 -12.009 1.00 0.00 C ATOM 1139 NE ARG A 78 7.401 -14.999 -13.265 1.00 0.00 N ATOM 1140 CZ ARG A 78 6.909 -15.558 -14.365 1.00 0.00 C ATOM 1141 NH1 ARG A 78 6.559 -16.836 -14.364 1.00 0.00 N ATOM 1142 NH2 ARG A 78 6.766 -14.837 -15.470 1.00 0.00 N ATOM 0 H ARG A 78 7.587 -13.731 -10.663 1.00 0.00 H new ATOM 0 HA ARG A 78 5.386 -14.094 -9.187 1.00 0.00 H new ATOM 0 HB2 ARG A 78 7.590 -16.165 -9.534 1.00 0.00 H new ATOM 0 HB3 ARG A 78 5.900 -16.505 -9.223 1.00 0.00 H new ATOM 0 HG2 ARG A 78 5.775 -16.731 -11.475 1.00 0.00 H new ATOM 0 HG3 ARG A 78 5.650 -14.983 -11.465 1.00 0.00 H new ATOM 0 HD2 ARG A 78 8.353 -15.214 -11.414 1.00 0.00 H new ATOM 0 HD3 ARG A 78 7.965 -16.722 -12.219 1.00 0.00 H new ATOM 0 HE ARG A 78 7.660 -14.013 -13.300 1.00 0.00 H new ATOM 0 HH11 ARG A 78 6.667 -17.394 -13.517 1.00 0.00 H new ATOM 0 HH12 ARG A 78 6.182 -17.262 -15.210 1.00 0.00 H new ATOM 0 HH21 ARG A 78 7.034 -13.853 -15.475 1.00 0.00 H new ATOM 0 HH22 ARG A 78 6.388 -15.267 -16.314 1.00 0.00 H new ATOM 1156 N ILE A 79 5.759 -14.965 -6.797 1.00 0.00 N ATOM 1157 CA ILE A 79 5.933 -15.092 -5.356 1.00 0.00 C ATOM 1158 C ILE A 79 5.443 -16.449 -4.861 1.00 0.00 C ATOM 1159 O ILE A 79 4.448 -16.979 -5.355 1.00 0.00 O ATOM 1160 CB ILE A 79 5.183 -13.981 -4.598 1.00 0.00 C ATOM 1161 CG1 ILE A 79 5.751 -12.609 -4.966 1.00 0.00 C ATOM 1162 CG2 ILE A 79 5.271 -14.211 -3.096 1.00 0.00 C ATOM 1163 CD1 ILE A 79 4.905 -11.454 -4.478 1.00 0.00 C ATOM 0 H ILE A 79 4.842 -15.252 -7.138 1.00 0.00 H new ATOM 0 HA ILE A 79 7.001 -14.999 -5.158 1.00 0.00 H new ATOM 0 HB ILE A 79 4.133 -14.009 -4.889 1.00 0.00 H new ATOM 0 HG12 ILE A 79 6.754 -12.516 -4.549 1.00 0.00 H new ATOM 0 HG13 ILE A 79 5.849 -12.544 -6.050 1.00 0.00 H new ATOM 0 HG21 ILE A 79 4.736 -13.417 -2.574 1.00 0.00 H new ATOM 0 HG22 ILE A 79 4.824 -15.174 -2.848 1.00 0.00 H new ATOM 0 HG23 ILE A 79 6.317 -14.207 -2.788 1.00 0.00 H new ATOM 0 HD11 ILE A 79 5.368 -10.513 -4.775 1.00 0.00 H new ATOM 0 HD12 ILE A 79 3.909 -11.522 -4.916 1.00 0.00 H new ATOM 0 HD13 ILE A 79 4.827 -11.493 -3.391 1.00 0.00 H new ATOM 1175 N ASP A 80 6.148 -17.005 -3.882 1.00 0.00 N ATOM 1176 CA ASP A 80 5.784 -18.299 -3.318 1.00 0.00 C ATOM 1177 C ASP A 80 5.622 -18.206 -1.804 1.00 0.00 C ATOM 1178 O ASP A 80 6.599 -18.043 -1.073 1.00 0.00 O ATOM 1179 CB ASP A 80 6.843 -19.347 -3.665 1.00 0.00 C ATOM 1180 CG ASP A 80 6.275 -20.752 -3.707 1.00 0.00 C ATOM 1181 OD1 ASP A 80 5.680 -21.182 -2.696 1.00 0.00 O ATOM 1182 OD2 ASP A 80 6.424 -21.422 -4.750 1.00 0.00 O ATOM 0 H ASP A 80 6.975 -16.580 -3.463 1.00 0.00 H new ATOM 0 HA ASP A 80 4.830 -18.600 -3.750 1.00 0.00 H new ATOM 0 HB2 ASP A 80 7.284 -19.107 -4.633 1.00 0.00 H new ATOM 0 HB3 ASP A 80 7.646 -19.305 -2.930 1.00 0.00 H new ATOM 1187 N ARG A 81 4.381 -18.309 -1.339 1.00 0.00 N ATOM 1188 CA ARG A 81 4.090 -18.233 0.087 1.00 0.00 C ATOM 1189 C ARG A 81 5.082 -19.070 0.889 1.00 0.00 C ATOM 1190 O ARG A 81 5.388 -18.754 2.039 1.00 0.00 O ATOM 1191 CB ARG A 81 2.663 -18.710 0.365 1.00 0.00 C ATOM 1192 CG ARG A 81 2.304 -18.730 1.841 1.00 0.00 C ATOM 1193 CD ARG A 81 1.301 -19.829 2.156 1.00 0.00 C ATOM 1194 NE ARG A 81 1.125 -20.015 3.594 1.00 0.00 N ATOM 1195 CZ ARG A 81 0.337 -19.251 4.343 1.00 0.00 C ATOM 1196 NH1 ARG A 81 -0.344 -18.255 3.793 1.00 0.00 N ATOM 1197 NH2 ARG A 81 0.230 -19.483 5.645 1.00 0.00 N ATOM 0 H ARG A 81 3.561 -18.445 -1.930 1.00 0.00 H new ATOM 0 HA ARG A 81 4.184 -17.192 0.396 1.00 0.00 H new ATOM 0 HB2 ARG A 81 1.963 -18.061 -0.162 1.00 0.00 H new ATOM 0 HB3 ARG A 81 2.538 -19.713 -0.044 1.00 0.00 H new ATOM 0 HG2 ARG A 81 3.206 -18.879 2.434 1.00 0.00 H new ATOM 0 HG3 ARG A 81 1.889 -17.764 2.129 1.00 0.00 H new ATOM 0 HD2 ARG A 81 0.341 -19.584 1.702 1.00 0.00 H new ATOM 0 HD3 ARG A 81 1.636 -20.765 1.708 1.00 0.00 H new ATOM 0 HE ARG A 81 1.635 -20.773 4.048 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -0.264 -18.074 2.792 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -0.948 -17.670 4.370 1.00 0.00 H new ATOM 0 HH21 ARG A 81 0.753 -20.248 6.071 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -0.375 -18.896 6.220 1.00 0.00 H new ATOM 1211 N GLU A 82 5.581 -20.137 0.275 1.00 0.00 N ATOM 1212 CA GLU A 82 6.538 -21.019 0.933 1.00 0.00 C ATOM 1213 C GLU A 82 7.816 -20.266 1.291 1.00 0.00 C ATOM 1214 O GLU A 82 8.196 -20.189 2.459 1.00 0.00 O ATOM 1215 CB GLU A 82 6.871 -22.210 0.032 1.00 0.00 C ATOM 1216 CG GLU A 82 7.362 -23.431 0.792 1.00 0.00 C ATOM 1217 CD GLU A 82 8.855 -23.394 1.053 1.00 0.00 C ATOM 1218 OE1 GLU A 82 9.314 -22.464 1.749 1.00 0.00 O ATOM 1219 OE2 GLU A 82 9.565 -24.296 0.561 1.00 0.00 O ATOM 0 H GLU A 82 5.339 -20.412 -0.677 1.00 0.00 H new ATOM 0 HA GLU A 82 6.082 -21.384 1.853 1.00 0.00 H new ATOM 0 HB2 GLU A 82 5.984 -22.481 -0.540 1.00 0.00 H new ATOM 0 HB3 GLU A 82 7.633 -21.909 -0.686 1.00 0.00 H new ATOM 0 HG2 GLU A 82 6.832 -23.500 1.742 1.00 0.00 H new ATOM 0 HG3 GLU A 82 7.118 -24.330 0.225 1.00 0.00 H new ATOM 1226 N GLU A 83 8.474 -19.713 0.277 1.00 0.00 N ATOM 1227 CA GLU A 83 9.709 -18.967 0.485 1.00 0.00 C ATOM 1228 C GLU A 83 9.475 -17.772 1.404 1.00 0.00 C ATOM 1229 O GLU A 83 10.356 -17.381 2.170 1.00 0.00 O ATOM 1230 CB GLU A 83 10.275 -18.490 -0.855 1.00 0.00 C ATOM 1231 CG GLU A 83 9.457 -17.387 -1.503 1.00 0.00 C ATOM 1232 CD GLU A 83 10.237 -16.623 -2.555 1.00 0.00 C ATOM 1233 OE1 GLU A 83 10.337 -17.121 -3.696 1.00 0.00 O ATOM 1234 OE2 GLU A 83 10.748 -15.529 -2.238 1.00 0.00 O ATOM 0 H GLU A 83 8.173 -19.768 -0.696 1.00 0.00 H new ATOM 0 HA GLU A 83 10.430 -19.633 0.960 1.00 0.00 H new ATOM 0 HB2 GLU A 83 11.294 -18.134 -0.703 1.00 0.00 H new ATOM 0 HB3 GLU A 83 10.332 -19.338 -1.538 1.00 0.00 H new ATOM 0 HG2 GLU A 83 8.567 -17.820 -1.959 1.00 0.00 H new ATOM 0 HG3 GLU A 83 9.116 -16.694 -0.734 1.00 0.00 H new ATOM 1241 N VAL A 84 8.280 -17.195 1.323 1.00 0.00 N ATOM 1242 CA VAL A 84 7.928 -16.045 2.147 1.00 0.00 C ATOM 1243 C VAL A 84 6.495 -16.150 2.654 1.00 0.00 C ATOM 1244 O VAL A 84 5.557 -16.294 1.871 1.00 0.00 O ATOM 1245 CB VAL A 84 8.090 -14.726 1.368 1.00 0.00 C ATOM 1246 CG1 VAL A 84 9.552 -14.481 1.029 1.00 0.00 C ATOM 1247 CG2 VAL A 84 7.238 -14.744 0.108 1.00 0.00 C ATOM 0 H VAL A 84 7.539 -17.506 0.695 1.00 0.00 H new ATOM 0 HA VAL A 84 8.611 -16.043 2.996 1.00 0.00 H new ATOM 0 HB VAL A 84 7.747 -13.907 2.000 1.00 0.00 H new ATOM 0 HG11 VAL A 84 9.646 -13.545 0.479 1.00 0.00 H new ATOM 0 HG12 VAL A 84 10.134 -14.421 1.949 1.00 0.00 H new ATOM 0 HG13 VAL A 84 9.926 -15.301 0.416 1.00 0.00 H new ATOM 0 HG21 VAL A 84 7.364 -13.805 -0.430 1.00 0.00 H new ATOM 0 HG22 VAL A 84 7.548 -15.572 -0.529 1.00 0.00 H new ATOM 0 HG23 VAL A 84 6.190 -14.868 0.379 1.00 0.00 H new ATOM 1257 N ASN A 85 6.332 -16.077 3.972 1.00 0.00 N ATOM 1258 CA ASN A 85 5.012 -16.165 4.585 1.00 0.00 C ATOM 1259 C ASN A 85 4.389 -14.780 4.736 1.00 0.00 C ATOM 1260 O ASN A 85 3.170 -14.645 4.831 1.00 0.00 O ATOM 1261 CB ASN A 85 5.106 -16.846 5.952 1.00 0.00 C ATOM 1262 CG ASN A 85 6.327 -16.405 6.735 1.00 0.00 C ATOM 1263 OD1 ASN A 85 7.462 -16.663 6.334 1.00 0.00 O ATOM 1264 ND2 ASN A 85 6.099 -15.736 7.859 1.00 0.00 N ATOM 0 H ASN A 85 7.098 -15.957 4.635 1.00 0.00 H new ATOM 0 HA ASN A 85 4.375 -16.762 3.932 1.00 0.00 H new ATOM 0 HB2 ASN A 85 4.208 -16.623 6.528 1.00 0.00 H new ATOM 0 HB3 ASN A 85 5.137 -17.927 5.815 1.00 0.00 H new ATOM 0 HD21 ASN A 85 6.882 -15.414 8.428 1.00 0.00 H new ATOM 0 HD22 ASN A 85 5.141 -15.544 8.153 1.00 0.00 H new ATOM 1271 N GLN A 86 5.236 -13.756 4.755 1.00 0.00 N ATOM 1272 CA GLN A 86 4.769 -12.382 4.895 1.00 0.00 C ATOM 1273 C GLN A 86 5.897 -11.392 4.621 1.00 0.00 C ATOM 1274 O GLN A 86 6.828 -11.261 5.416 1.00 0.00 O ATOM 1275 CB GLN A 86 4.203 -12.153 6.297 1.00 0.00 C ATOM 1276 CG GLN A 86 3.693 -10.739 6.524 1.00 0.00 C ATOM 1277 CD GLN A 86 3.278 -10.492 7.961 1.00 0.00 C ATOM 1278 OE1 GLN A 86 4.110 -10.489 8.869 1.00 0.00 O ATOM 1279 NE2 GLN A 86 1.984 -10.283 8.176 1.00 0.00 N ATOM 0 H GLN A 86 6.248 -13.852 4.675 1.00 0.00 H new ATOM 0 HA GLN A 86 3.980 -12.217 4.161 1.00 0.00 H new ATOM 0 HB2 GLN A 86 3.388 -12.856 6.470 1.00 0.00 H new ATOM 0 HB3 GLN A 86 4.977 -12.374 7.033 1.00 0.00 H new ATOM 0 HG2 GLN A 86 4.471 -10.027 6.247 1.00 0.00 H new ATOM 0 HG3 GLN A 86 2.843 -10.554 5.867 1.00 0.00 H new ATOM 0 HE21 GLN A 86 1.329 -10.294 7.394 1.00 0.00 H new ATOM 0 HE22 GLN A 86 1.646 -10.111 9.123 1.00 0.00 H new ATOM 1288 N LEU A 87 5.807 -10.699 3.492 1.00 0.00 N ATOM 1289 CA LEU A 87 6.821 -9.721 3.112 1.00 0.00 C ATOM 1290 C LEU A 87 6.707 -8.460 3.963 1.00 0.00 C ATOM 1291 O LEU A 87 5.631 -8.132 4.464 1.00 0.00 O ATOM 1292 CB LEU A 87 6.684 -9.364 1.631 1.00 0.00 C ATOM 1293 CG LEU A 87 6.964 -10.494 0.640 1.00 0.00 C ATOM 1294 CD1 LEU A 87 6.556 -10.084 -0.767 1.00 0.00 C ATOM 1295 CD2 LEU A 87 8.435 -10.885 0.677 1.00 0.00 C ATOM 0 H LEU A 87 5.043 -10.796 2.823 1.00 0.00 H new ATOM 0 HA LEU A 87 7.801 -10.166 3.283 1.00 0.00 H new ATOM 0 HB2 LEU A 87 5.672 -8.998 1.458 1.00 0.00 H new ATOM 0 HB3 LEU A 87 7.362 -8.539 1.412 1.00 0.00 H new ATOM 0 HG LEU A 87 6.371 -11.361 0.931 1.00 0.00 H new ATOM 0 HD11 LEU A 87 6.763 -10.901 -1.458 1.00 0.00 H new ATOM 0 HD12 LEU A 87 5.491 -9.855 -0.785 1.00 0.00 H new ATOM 0 HD13 LEU A 87 7.122 -9.202 -1.068 1.00 0.00 H new ATOM 0 HD21 LEU A 87 8.615 -11.691 -0.035 1.00 0.00 H new ATOM 0 HD22 LEU A 87 9.047 -10.023 0.412 1.00 0.00 H new ATOM 0 HD23 LEU A 87 8.697 -11.222 1.680 1.00 0.00 H new ATOM 1307 N ARG A 88 7.823 -7.756 4.121 1.00 0.00 N ATOM 1308 CA ARG A 88 7.848 -6.530 4.910 1.00 0.00 C ATOM 1309 C ARG A 88 8.990 -5.621 4.467 1.00 0.00 C ATOM 1310 O ARG A 88 10.149 -6.036 4.428 1.00 0.00 O ATOM 1311 CB ARG A 88 7.991 -6.859 6.397 1.00 0.00 C ATOM 1312 CG ARG A 88 7.331 -5.840 7.312 1.00 0.00 C ATOM 1313 CD ARG A 88 7.601 -6.150 8.776 1.00 0.00 C ATOM 1314 NE ARG A 88 6.837 -5.282 9.669 1.00 0.00 N ATOM 1315 CZ ARG A 88 6.600 -5.566 10.945 1.00 0.00 C ATOM 1316 NH1 ARG A 88 7.066 -6.688 11.475 1.00 0.00 N ATOM 1317 NH2 ARG A 88 5.897 -4.725 11.693 1.00 0.00 N ATOM 0 H ARG A 88 8.722 -8.013 3.713 1.00 0.00 H new ATOM 0 HA ARG A 88 6.906 -6.005 4.750 1.00 0.00 H new ATOM 0 HB2 ARG A 88 7.557 -7.840 6.587 1.00 0.00 H new ATOM 0 HB3 ARG A 88 9.050 -6.926 6.646 1.00 0.00 H new ATOM 0 HG2 ARG A 88 7.702 -4.843 7.076 1.00 0.00 H new ATOM 0 HG3 ARG A 88 6.256 -5.831 7.133 1.00 0.00 H new ATOM 0 HD2 ARG A 88 7.349 -7.191 8.979 1.00 0.00 H new ATOM 0 HD3 ARG A 88 8.665 -6.034 8.981 1.00 0.00 H new ATOM 0 HE ARG A 88 6.465 -4.410 9.292 1.00 0.00 H new ATOM 0 HH11 ARG A 88 7.608 -7.336 10.903 1.00 0.00 H new ATOM 0 HH12 ARG A 88 6.883 -6.904 12.455 1.00 0.00 H new ATOM 0 HH21 ARG A 88 5.538 -3.860 11.288 1.00 0.00 H new ATOM 0 HH22 ARG A 88 5.715 -4.943 12.673 1.00 0.00 H new ATOM 1331 N PHE A 89 8.656 -4.379 4.133 1.00 0.00 N ATOM 1332 CA PHE A 89 9.654 -3.411 3.691 1.00 0.00 C ATOM 1333 C PHE A 89 9.228 -1.990 4.047 1.00 0.00 C ATOM 1334 O PHE A 89 8.108 -1.761 4.505 1.00 0.00 O ATOM 1335 CB PHE A 89 9.873 -3.527 2.181 1.00 0.00 C ATOM 1336 CG PHE A 89 8.598 -3.525 1.388 1.00 0.00 C ATOM 1337 CD1 PHE A 89 8.020 -2.332 0.983 1.00 0.00 C ATOM 1338 CD2 PHE A 89 7.976 -4.715 1.047 1.00 0.00 C ATOM 1339 CE1 PHE A 89 6.847 -2.326 0.252 1.00 0.00 C ATOM 1340 CE2 PHE A 89 6.803 -4.716 0.317 1.00 0.00 C ATOM 1341 CZ PHE A 89 6.237 -3.520 -0.080 1.00 0.00 C ATOM 0 H PHE A 89 7.702 -4.019 4.160 1.00 0.00 H new ATOM 0 HA PHE A 89 10.590 -3.630 4.205 1.00 0.00 H new ATOM 0 HB2 PHE A 89 10.500 -2.699 1.848 1.00 0.00 H new ATOM 0 HB3 PHE A 89 10.421 -4.446 1.971 1.00 0.00 H new ATOM 0 HD1 PHE A 89 8.492 -1.396 1.242 1.00 0.00 H new ATOM 0 HD2 PHE A 89 8.413 -5.653 1.355 1.00 0.00 H new ATOM 0 HE1 PHE A 89 6.408 -1.389 -0.059 1.00 0.00 H new ATOM 0 HE2 PHE A 89 6.329 -5.651 0.057 1.00 0.00 H new ATOM 0 HZ PHE A 89 5.319 -3.519 -0.649 1.00 0.00 H new ATOM 1351 N THR A 90 10.130 -1.037 3.833 1.00 0.00 N ATOM 1352 CA THR A 90 9.850 0.361 4.132 1.00 0.00 C ATOM 1353 C THR A 90 9.941 1.221 2.877 1.00 0.00 C ATOM 1354 O THR A 90 10.579 0.840 1.896 1.00 0.00 O ATOM 1355 CB THR A 90 10.823 0.915 5.191 1.00 0.00 C ATOM 1356 OG1 THR A 90 10.934 -0.005 6.283 1.00 0.00 O ATOM 1357 CG2 THR A 90 10.350 2.266 5.706 1.00 0.00 C ATOM 0 H THR A 90 11.061 -1.209 3.453 1.00 0.00 H new ATOM 0 HA THR A 90 8.834 0.402 4.525 1.00 0.00 H new ATOM 0 HB THR A 90 11.799 1.043 4.724 1.00 0.00 H new ATOM 0 HG1 THR A 90 11.555 0.353 6.951 1.00 0.00 H new ATOM 0 HG21 THR A 90 11.052 2.637 6.452 1.00 0.00 H new ATOM 0 HG22 THR A 90 10.294 2.972 4.877 1.00 0.00 H new ATOM 0 HG23 THR A 90 9.364 2.158 6.158 1.00 0.00 H new ATOM 1365 N VAL A 91 9.298 2.384 2.914 1.00 0.00 N ATOM 1366 CA VAL A 91 9.307 3.299 1.779 1.00 0.00 C ATOM 1367 C VAL A 91 9.612 4.725 2.225 1.00 0.00 C ATOM 1368 O VAL A 91 9.067 5.204 3.219 1.00 0.00 O ATOM 1369 CB VAL A 91 7.960 3.283 1.033 1.00 0.00 C ATOM 1370 CG1 VAL A 91 7.804 1.994 0.241 1.00 0.00 C ATOM 1371 CG2 VAL A 91 6.808 3.460 2.011 1.00 0.00 C ATOM 0 H VAL A 91 8.764 2.715 3.718 1.00 0.00 H new ATOM 0 HA VAL A 91 10.091 2.957 1.104 1.00 0.00 H new ATOM 0 HB VAL A 91 7.943 4.117 0.331 1.00 0.00 H new ATOM 0 HG11 VAL A 91 6.846 2.000 -0.280 1.00 0.00 H new ATOM 0 HG12 VAL A 91 8.612 1.914 -0.486 1.00 0.00 H new ATOM 0 HG13 VAL A 91 7.842 1.143 0.921 1.00 0.00 H new ATOM 0 HG21 VAL A 91 5.864 3.446 1.467 1.00 0.00 H new ATOM 0 HG22 VAL A 91 6.820 2.648 2.738 1.00 0.00 H new ATOM 0 HG23 VAL A 91 6.914 4.413 2.530 1.00 0.00 H new ATOM 1381 N MET A 92 10.485 5.398 1.483 1.00 0.00 N ATOM 1382 CA MET A 92 10.861 6.770 1.802 1.00 0.00 C ATOM 1383 C MET A 92 10.068 7.761 0.955 1.00 0.00 C ATOM 1384 O MET A 92 9.608 7.430 -0.136 1.00 0.00 O ATOM 1385 CB MET A 92 12.360 6.976 1.580 1.00 0.00 C ATOM 1386 CG MET A 92 13.202 6.696 2.814 1.00 0.00 C ATOM 1387 SD MET A 92 14.778 7.573 2.794 1.00 0.00 S ATOM 1388 CE MET A 92 15.395 7.123 1.174 1.00 0.00 C ATOM 0 H MET A 92 10.945 5.016 0.657 1.00 0.00 H new ATOM 0 HA MET A 92 10.630 6.949 2.852 1.00 0.00 H new ATOM 0 HB2 MET A 92 12.691 6.327 0.769 1.00 0.00 H new ATOM 0 HB3 MET A 92 12.533 8.003 1.257 1.00 0.00 H new ATOM 0 HG2 MET A 92 12.642 6.983 3.704 1.00 0.00 H new ATOM 0 HG3 MET A 92 13.388 5.624 2.887 1.00 0.00 H new ATOM 0 HE1 MET A 92 16.482 7.052 1.206 1.00 0.00 H new ATOM 0 HE2 MET A 92 14.977 6.161 0.880 1.00 0.00 H new ATOM 0 HE3 MET A 92 15.102 7.883 0.449 1.00 0.00 H new ATOM 1398 N ALA A 93 9.914 8.978 1.467 1.00 0.00 N ATOM 1399 CA ALA A 93 9.178 10.017 0.756 1.00 0.00 C ATOM 1400 C ALA A 93 9.956 11.329 0.745 1.00 0.00 C ATOM 1401 O ALA A 93 10.122 11.972 1.781 1.00 0.00 O ATOM 1402 CB ALA A 93 7.808 10.219 1.386 1.00 0.00 C ATOM 0 H ALA A 93 10.288 9.268 2.370 1.00 0.00 H new ATOM 0 HA ALA A 93 9.046 9.693 -0.276 1.00 0.00 H new ATOM 0 HB1 ALA A 93 7.270 10.997 0.845 1.00 0.00 H new ATOM 0 HB2 ALA A 93 7.244 9.287 1.337 1.00 0.00 H new ATOM 0 HB3 ALA A 93 7.927 10.517 2.428 1.00 0.00 H new ATOM 1408 N ARG A 94 10.430 11.720 -0.434 1.00 0.00 N ATOM 1409 CA ARG A 94 11.191 12.955 -0.579 1.00 0.00 C ATOM 1410 C ARG A 94 10.307 14.080 -1.108 1.00 0.00 C ATOM 1411 O ARG A 94 9.280 13.831 -1.741 1.00 0.00 O ATOM 1412 CB ARG A 94 12.378 12.739 -1.520 1.00 0.00 C ATOM 1413 CG ARG A 94 13.340 11.660 -1.050 1.00 0.00 C ATOM 1414 CD ARG A 94 14.696 11.790 -1.726 1.00 0.00 C ATOM 1415 NE ARG A 94 14.681 11.265 -3.089 1.00 0.00 N ATOM 1416 CZ ARG A 94 14.976 10.007 -3.395 1.00 0.00 C ATOM 1417 NH1 ARG A 94 15.307 9.149 -2.440 1.00 0.00 N ATOM 1418 NH2 ARG A 94 14.940 9.604 -4.659 1.00 0.00 N ATOM 0 H ARG A 94 10.300 11.200 -1.302 1.00 0.00 H new ATOM 0 HA ARG A 94 11.563 13.241 0.405 1.00 0.00 H new ATOM 0 HB2 ARG A 94 12.003 12.474 -2.509 1.00 0.00 H new ATOM 0 HB3 ARG A 94 12.922 13.678 -1.626 1.00 0.00 H new ATOM 0 HG2 ARG A 94 13.463 11.727 0.031 1.00 0.00 H new ATOM 0 HG3 ARG A 94 12.919 10.677 -1.263 1.00 0.00 H new ATOM 0 HD2 ARG A 94 14.993 12.839 -1.745 1.00 0.00 H new ATOM 0 HD3 ARG A 94 15.445 11.257 -1.141 1.00 0.00 H new ATOM 0 HE ARG A 94 14.430 11.899 -3.847 1.00 0.00 H new ATOM 0 HH11 ARG A 94 15.336 9.455 -1.467 1.00 0.00 H new ATOM 0 HH12 ARG A 94 15.533 8.183 -2.678 1.00 0.00 H new ATOM 0 HH21 ARG A 94 14.686 10.261 -5.397 1.00 0.00 H new ATOM 0 HH22 ARG A 94 15.167 8.637 -4.893 1.00 0.00 H new ATOM 1520 N LYS A 101 13.134 16.244 3.519 1.00 0.00 N ATOM 1521 CA LYS A 101 12.693 15.408 4.629 1.00 0.00 C ATOM 1522 C LYS A 101 12.164 14.069 4.125 1.00 0.00 C ATOM 1523 O LYS A 101 11.110 14.004 3.491 1.00 0.00 O ATOM 1524 CB LYS A 101 11.609 16.126 5.435 1.00 0.00 C ATOM 1525 CG LYS A 101 11.315 15.473 6.775 1.00 0.00 C ATOM 1526 CD LYS A 101 12.460 15.671 7.755 1.00 0.00 C ATOM 1527 CE LYS A 101 12.284 16.944 8.568 1.00 0.00 C ATOM 1528 NZ LYS A 101 13.263 17.026 9.688 1.00 0.00 N ATOM 0 HA LYS A 101 13.552 15.220 5.273 1.00 0.00 H new ATOM 0 HB2 LYS A 101 11.916 17.158 5.603 1.00 0.00 H new ATOM 0 HB3 LYS A 101 10.692 16.158 4.847 1.00 0.00 H new ATOM 0 HG2 LYS A 101 10.400 15.894 7.193 1.00 0.00 H new ATOM 0 HG3 LYS A 101 11.139 14.407 6.631 1.00 0.00 H new ATOM 0 HD2 LYS A 101 12.518 14.814 8.426 1.00 0.00 H new ATOM 0 HD3 LYS A 101 13.403 15.713 7.210 1.00 0.00 H new ATOM 0 HE2 LYS A 101 12.403 17.810 7.917 1.00 0.00 H new ATOM 0 HE3 LYS A 101 11.271 16.983 8.968 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 13.111 17.908 10.218 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 13.133 16.213 10.323 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 14.230 17.015 9.305 1.00 0.00 H new ATOM 1542 N THR A 102 12.901 13.000 4.412 1.00 0.00 N ATOM 1543 CA THR A 102 12.506 11.663 3.988 1.00 0.00 C ATOM 1544 C THR A 102 11.724 10.948 5.084 1.00 0.00 C ATOM 1545 O THR A 102 12.260 10.654 6.152 1.00 0.00 O ATOM 1546 CB THR A 102 13.731 10.810 3.608 1.00 0.00 C ATOM 1547 OG1 THR A 102 14.598 10.665 4.738 1.00 0.00 O ATOM 1548 CG2 THR A 102 14.495 11.443 2.455 1.00 0.00 C ATOM 0 H THR A 102 13.775 13.035 4.937 1.00 0.00 H new ATOM 0 HA THR A 102 11.870 11.784 3.111 1.00 0.00 H new ATOM 0 HB THR A 102 13.378 9.828 3.294 1.00 0.00 H new ATOM 0 HG1 THR A 102 14.061 10.571 5.552 1.00 0.00 H new ATOM 0 HG21 THR A 102 15.356 10.823 2.205 1.00 0.00 H new ATOM 0 HG22 THR A 102 13.841 11.524 1.587 1.00 0.00 H new ATOM 0 HG23 THR A 102 14.836 12.436 2.746 1.00 0.00 H new ATOM 1556 N ASP A 103 10.454 10.670 4.811 1.00 0.00 N ATOM 1557 CA ASP A 103 9.597 9.987 5.774 1.00 0.00 C ATOM 1558 C ASP A 103 9.452 8.510 5.420 1.00 0.00 C ATOM 1559 O ASP A 103 8.819 8.158 4.425 1.00 0.00 O ATOM 1560 CB ASP A 103 8.220 10.650 5.823 1.00 0.00 C ATOM 1561 CG ASP A 103 7.228 9.863 6.658 1.00 0.00 C ATOM 1562 OD1 ASP A 103 7.257 10.000 7.898 1.00 0.00 O ATOM 1563 OD2 ASP A 103 6.424 9.110 6.070 1.00 0.00 O ATOM 0 H ASP A 103 9.995 10.907 3.931 1.00 0.00 H new ATOM 0 HA ASP A 103 10.063 10.063 6.756 1.00 0.00 H new ATOM 0 HB2 ASP A 103 8.318 11.655 6.233 1.00 0.00 H new ATOM 0 HB3 ASP A 103 7.834 10.755 4.809 1.00 0.00 H new ATOM 1568 N LYS A 104 10.044 7.649 6.242 1.00 0.00 N ATOM 1569 CA LYS A 104 9.981 6.210 6.017 1.00 0.00 C ATOM 1570 C LYS A 104 8.621 5.654 6.426 1.00 0.00 C ATOM 1571 O LYS A 104 8.029 6.097 7.410 1.00 0.00 O ATOM 1572 CB LYS A 104 11.089 5.502 6.800 1.00 0.00 C ATOM 1573 CG LYS A 104 12.421 5.467 6.072 1.00 0.00 C ATOM 1574 CD LYS A 104 13.515 4.863 6.938 1.00 0.00 C ATOM 1575 CE LYS A 104 14.817 4.714 6.167 1.00 0.00 C ATOM 1576 NZ LYS A 104 15.796 3.857 6.892 1.00 0.00 N ATOM 0 H LYS A 104 10.573 7.923 7.070 1.00 0.00 H new ATOM 0 HA LYS A 104 10.123 6.028 4.952 1.00 0.00 H new ATOM 0 HB2 LYS A 104 11.222 6.003 7.759 1.00 0.00 H new ATOM 0 HB3 LYS A 104 10.775 4.481 7.015 1.00 0.00 H new ATOM 0 HG2 LYS A 104 12.320 4.887 5.155 1.00 0.00 H new ATOM 0 HG3 LYS A 104 12.704 6.478 5.780 1.00 0.00 H new ATOM 0 HD2 LYS A 104 13.679 5.494 7.812 1.00 0.00 H new ATOM 0 HD3 LYS A 104 13.194 3.888 7.304 1.00 0.00 H new ATOM 0 HE2 LYS A 104 14.612 4.282 5.188 1.00 0.00 H new ATOM 0 HE3 LYS A 104 15.253 5.698 5.996 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 16.336 3.291 6.207 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 16.448 4.458 7.435 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 15.288 3.223 7.541 1.00 0.00 H new ATOM 1590 N ALA A 105 8.131 4.681 5.665 1.00 0.00 N ATOM 1591 CA ALA A 105 6.843 4.062 5.951 1.00 0.00 C ATOM 1592 C ALA A 105 6.899 2.553 5.739 1.00 0.00 C ATOM 1593 O ALA A 105 7.356 2.078 4.699 1.00 0.00 O ATOM 1594 CB ALA A 105 5.757 4.679 5.081 1.00 0.00 C ATOM 0 H ALA A 105 8.607 4.304 4.845 1.00 0.00 H new ATOM 0 HA ALA A 105 6.604 4.246 6.998 1.00 0.00 H new ATOM 0 HB1 ALA A 105 4.800 4.208 5.305 1.00 0.00 H new ATOM 0 HB2 ALA A 105 5.691 5.748 5.284 1.00 0.00 H new ATOM 0 HB3 ALA A 105 6.001 4.524 4.030 1.00 0.00 H new ATOM 1600 N THR A 106 6.431 1.803 6.731 1.00 0.00 N ATOM 1601 CA THR A 106 6.430 0.348 6.654 1.00 0.00 C ATOM 1602 C THR A 106 5.268 -0.157 5.807 1.00 0.00 C ATOM 1603 O THR A 106 4.174 0.407 5.837 1.00 0.00 O ATOM 1604 CB THR A 106 6.344 -0.289 8.054 1.00 0.00 C ATOM 1605 OG1 THR A 106 7.325 0.295 8.919 1.00 0.00 O ATOM 1606 CG2 THR A 106 6.558 -1.793 7.979 1.00 0.00 C ATOM 0 H THR A 106 6.047 2.180 7.598 1.00 0.00 H new ATOM 0 HA THR A 106 7.371 0.056 6.187 1.00 0.00 H new ATOM 0 HB THR A 106 5.348 -0.100 8.454 1.00 0.00 H new ATOM 0 HG1 THR A 106 7.263 -0.114 9.807 1.00 0.00 H new ATOM 0 HG21 THR A 106 6.493 -2.220 8.980 1.00 0.00 H new ATOM 0 HG22 THR A 106 5.792 -2.238 7.344 1.00 0.00 H new ATOM 0 HG23 THR A 106 7.543 -2.000 7.560 1.00 0.00 H new ATOM 1614 N VAL A 107 5.511 -1.224 5.052 1.00 0.00 N ATOM 1615 CA VAL A 107 4.484 -1.806 4.197 1.00 0.00 C ATOM 1616 C VAL A 107 4.339 -3.302 4.453 1.00 0.00 C ATOM 1617 O VAL A 107 5.175 -4.099 4.029 1.00 0.00 O ATOM 1618 CB VAL A 107 4.799 -1.579 2.706 1.00 0.00 C ATOM 1619 CG1 VAL A 107 3.747 -2.242 1.831 1.00 0.00 C ATOM 1620 CG2 VAL A 107 4.897 -0.092 2.403 1.00 0.00 C ATOM 0 H VAL A 107 6.411 -1.703 5.015 1.00 0.00 H new ATOM 0 HA VAL A 107 3.547 -1.306 4.442 1.00 0.00 H new ATOM 0 HB VAL A 107 5.763 -2.036 2.482 1.00 0.00 H new ATOM 0 HG11 VAL A 107 3.986 -2.071 0.781 1.00 0.00 H new ATOM 0 HG12 VAL A 107 3.731 -3.314 2.030 1.00 0.00 H new ATOM 0 HG13 VAL A 107 2.768 -1.817 2.054 1.00 0.00 H new ATOM 0 HG21 VAL A 107 5.120 0.050 1.346 1.00 0.00 H new ATOM 0 HG22 VAL A 107 3.950 0.391 2.642 1.00 0.00 H new ATOM 0 HG23 VAL A 107 5.692 0.350 3.004 1.00 0.00 H new ATOM 1630 N VAL A 108 3.271 -3.677 5.150 1.00 0.00 N ATOM 1631 CA VAL A 108 3.014 -5.078 5.461 1.00 0.00 C ATOM 1632 C VAL A 108 2.123 -5.721 4.405 1.00 0.00 C ATOM 1633 O VAL A 108 0.979 -5.310 4.207 1.00 0.00 O ATOM 1634 CB VAL A 108 2.349 -5.233 6.842 1.00 0.00 C ATOM 1635 CG1 VAL A 108 1.975 -6.685 7.094 1.00 0.00 C ATOM 1636 CG2 VAL A 108 3.267 -4.712 7.937 1.00 0.00 C ATOM 0 H VAL A 108 2.570 -3.030 5.510 1.00 0.00 H new ATOM 0 HA VAL A 108 3.980 -5.582 5.472 1.00 0.00 H new ATOM 0 HB VAL A 108 1.435 -4.640 6.854 1.00 0.00 H new ATOM 0 HG11 VAL A 108 1.507 -6.775 8.074 1.00 0.00 H new ATOM 0 HG12 VAL A 108 1.277 -7.020 6.326 1.00 0.00 H new ATOM 0 HG13 VAL A 108 2.873 -7.303 7.063 1.00 0.00 H new ATOM 0 HG21 VAL A 108 2.781 -4.829 8.906 1.00 0.00 H new ATOM 0 HG22 VAL A 108 4.200 -5.276 7.928 1.00 0.00 H new ATOM 0 HG23 VAL A 108 3.479 -3.657 7.763 1.00 0.00 H new ATOM 1646 N LEU A 109 2.655 -6.734 3.728 1.00 0.00 N ATOM 1647 CA LEU A 109 1.908 -7.437 2.691 1.00 0.00 C ATOM 1648 C LEU A 109 1.636 -8.881 3.099 1.00 0.00 C ATOM 1649 O LEU A 109 2.518 -9.735 3.021 1.00 0.00 O ATOM 1650 CB LEU A 109 2.678 -7.405 1.370 1.00 0.00 C ATOM 1651 CG LEU A 109 2.998 -6.017 0.812 1.00 0.00 C ATOM 1652 CD1 LEU A 109 3.806 -6.131 -0.471 1.00 0.00 C ATOM 1653 CD2 LEU A 109 1.718 -5.231 0.571 1.00 0.00 C ATOM 0 H LEU A 109 3.600 -7.086 3.879 1.00 0.00 H new ATOM 0 HA LEU A 109 0.952 -6.930 2.560 1.00 0.00 H new ATOM 0 HB2 LEU A 109 3.615 -7.945 1.506 1.00 0.00 H new ATOM 0 HB3 LEU A 109 2.101 -7.951 0.623 1.00 0.00 H new ATOM 0 HG LEU A 109 3.597 -5.480 1.547 1.00 0.00 H new ATOM 0 HD11 LEU A 109 4.024 -5.134 -0.853 1.00 0.00 H new ATOM 0 HD12 LEU A 109 4.740 -6.654 -0.267 1.00 0.00 H new ATOM 0 HD13 LEU A 109 3.233 -6.687 -1.213 1.00 0.00 H new ATOM 0 HD21 LEU A 109 1.965 -4.246 0.174 1.00 0.00 H new ATOM 0 HD22 LEU A 109 1.093 -5.764 -0.145 1.00 0.00 H new ATOM 0 HD23 LEU A 109 1.178 -5.118 1.511 1.00 0.00 H new ATOM 1665 N ASN A 110 0.408 -9.146 3.533 1.00 0.00 N ATOM 1666 CA ASN A 110 0.019 -10.488 3.952 1.00 0.00 C ATOM 1667 C ASN A 110 -0.108 -11.418 2.750 1.00 0.00 C ATOM 1668 O ASN A 110 -0.901 -11.169 1.841 1.00 0.00 O ATOM 1669 CB ASN A 110 -1.305 -10.442 4.718 1.00 0.00 C ATOM 1670 CG ASN A 110 -1.139 -9.908 6.128 1.00 0.00 C ATOM 1671 OD1 ASN A 110 -1.206 -10.660 7.100 1.00 0.00 O ATOM 1672 ND2 ASN A 110 -0.922 -8.603 6.244 1.00 0.00 N ATOM 0 H ASN A 110 -0.334 -8.450 3.604 1.00 0.00 H new ATOM 0 HA ASN A 110 0.798 -10.877 4.608 1.00 0.00 H new ATOM 0 HB2 ASN A 110 -2.014 -9.815 4.176 1.00 0.00 H new ATOM 0 HB3 ASN A 110 -1.732 -11.444 4.760 1.00 0.00 H new ATOM 0 HD21 ASN A 110 -0.803 -8.186 7.167 1.00 0.00 H new ATOM 0 HD22 ASN A 110 -0.874 -8.018 5.410 1.00 0.00 H new ATOM 1679 N ILE A 111 0.677 -12.490 2.752 1.00 0.00 N ATOM 1680 CA ILE A 111 0.650 -13.458 1.663 1.00 0.00 C ATOM 1681 C ILE A 111 -0.625 -14.293 1.700 1.00 0.00 C ATOM 1682 O ILE A 111 -0.747 -15.225 2.495 1.00 0.00 O ATOM 1683 CB ILE A 111 1.869 -14.399 1.716 1.00 0.00 C ATOM 1684 CG1 ILE A 111 3.164 -13.600 1.559 1.00 0.00 C ATOM 1685 CG2 ILE A 111 1.762 -15.464 0.635 1.00 0.00 C ATOM 1686 CD1 ILE A 111 3.232 -12.805 0.274 1.00 0.00 C ATOM 0 H ILE A 111 1.339 -12.710 3.496 1.00 0.00 H new ATOM 0 HA ILE A 111 0.681 -12.888 0.734 1.00 0.00 H new ATOM 0 HB ILE A 111 1.886 -14.895 2.687 1.00 0.00 H new ATOM 0 HG12 ILE A 111 3.266 -12.919 2.404 1.00 0.00 H new ATOM 0 HG13 ILE A 111 4.011 -14.285 1.598 1.00 0.00 H new ATOM 0 HG21 ILE A 111 2.630 -16.121 0.685 1.00 0.00 H new ATOM 0 HG22 ILE A 111 0.855 -16.049 0.789 1.00 0.00 H new ATOM 0 HG23 ILE A 111 1.724 -14.986 -0.344 1.00 0.00 H new ATOM 0 HD11 ILE A 111 4.177 -12.264 0.231 1.00 0.00 H new ATOM 0 HD12 ILE A 111 3.162 -13.482 -0.577 1.00 0.00 H new ATOM 0 HD13 ILE A 111 2.406 -12.095 0.241 1.00 0.00 H new ATOM 1698 N LYS A 112 -1.573 -13.954 0.833 1.00 0.00 N ATOM 1699 CA LYS A 112 -2.840 -14.673 0.764 1.00 0.00 C ATOM 1700 C LYS A 112 -2.710 -15.919 -0.107 1.00 0.00 C ATOM 1701 O LYS A 112 -1.678 -16.140 -0.741 1.00 0.00 O ATOM 1702 CB LYS A 112 -3.937 -13.762 0.209 1.00 0.00 C ATOM 1703 CG LYS A 112 -4.273 -12.592 1.118 1.00 0.00 C ATOM 1704 CD LYS A 112 -5.053 -13.042 2.342 1.00 0.00 C ATOM 1705 CE LYS A 112 -6.541 -13.147 2.047 1.00 0.00 C ATOM 1706 NZ LYS A 112 -7.332 -13.423 3.278 1.00 0.00 N ATOM 0 H LYS A 112 -1.488 -13.185 0.168 1.00 0.00 H new ATOM 0 HA LYS A 112 -3.110 -14.983 1.774 1.00 0.00 H new ATOM 0 HB2 LYS A 112 -3.623 -13.379 -0.762 1.00 0.00 H new ATOM 0 HB3 LYS A 112 -4.838 -14.352 0.042 1.00 0.00 H new ATOM 0 HG2 LYS A 112 -3.353 -12.099 1.433 1.00 0.00 H new ATOM 0 HG3 LYS A 112 -4.856 -11.856 0.564 1.00 0.00 H new ATOM 0 HD2 LYS A 112 -4.679 -14.009 2.678 1.00 0.00 H new ATOM 0 HD3 LYS A 112 -4.891 -12.337 3.157 1.00 0.00 H new ATOM 0 HE2 LYS A 112 -6.888 -12.219 1.593 1.00 0.00 H new ATOM 0 HE3 LYS A 112 -6.712 -13.941 1.320 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 -8.341 -13.487 3.035 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 -7.019 -14.322 3.698 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 -7.189 -12.653 3.962 1.00 0.00 H new ATOM 1720 N ASP A 113 -3.763 -16.728 -0.134 1.00 0.00 N ATOM 1721 CA ASP A 113 -3.768 -17.950 -0.930 1.00 0.00 C ATOM 1722 C ASP A 113 -4.774 -17.851 -2.072 1.00 0.00 C ATOM 1723 O ASP A 113 -5.963 -17.629 -1.846 1.00 0.00 O ATOM 1724 CB ASP A 113 -4.096 -19.156 -0.048 1.00 0.00 C ATOM 1725 CG ASP A 113 -4.811 -20.254 -0.811 1.00 0.00 C ATOM 1726 OD1 ASP A 113 -4.266 -20.717 -1.835 1.00 0.00 O ATOM 1727 OD2 ASP A 113 -5.915 -20.651 -0.384 1.00 0.00 O ATOM 0 H ASP A 113 -4.624 -16.560 0.386 1.00 0.00 H new ATOM 0 HA ASP A 113 -2.774 -18.081 -1.357 1.00 0.00 H new ATOM 0 HB2 ASP A 113 -3.174 -19.554 0.376 1.00 0.00 H new ATOM 0 HB3 ASP A 113 -4.718 -18.833 0.787 1.00 0.00 H new