USER MOD reduce.3.24.130724 H: found=0, std=0, add=582, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 583 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 28 ASN : amide:sc= -1.79 X(o=-1.8,f=-1.4) USER MOD Set 1.2: A 84 LYS NZ :NH3+ -137:sc= -0.0247 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 GLN : amide:sc= -0.891 K(o=-0.89,f=-2.9!) USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 THR OG1 : rot -106:sc= 0.916 USER MOD Single : A 42 GLN : amide:sc= -0.372 K(o=-0.37,f=-5!) USER MOD Single : A 47 GLN : amide:sc= -0.322 K(o=-0.32,f=-2.9) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 ASN : amide:sc= -3.76! C(o=-3.8!,f=-3.8!) USER MOD Single : A 69 TYR OH : rot 15:sc= 0.0501 USER MOD Single : A 72 CYS SG : rot 26:sc= -1.13 USER MOD Single : A 76 GLN : amide:sc= -1.6 K(o=-1.6,f=-2.7!) USER MOD Single : A 80 THR OG1 : rot 180:sc= -0.204 USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 86 THR OG1 : rot -55:sc= 0.0497 USER MOD Single : A 88 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 103 N VAL A 11 -0.563 -8.598 -7.634 1.00 0.00 N ATOM 104 CA VAL A 11 -0.493 -9.391 -6.413 1.00 0.00 C ATOM 105 C VAL A 11 0.321 -8.676 -5.340 1.00 0.00 C ATOM 106 O VAL A 11 0.876 -7.604 -5.581 1.00 0.00 O ATOM 107 CB VAL A 11 0.130 -10.775 -6.677 1.00 0.00 C ATOM 108 CG1 VAL A 11 -0.791 -11.621 -7.544 1.00 0.00 C ATOM 109 CG2 VAL A 11 1.499 -10.630 -7.324 1.00 0.00 C ATOM 0 HA VAL A 11 -1.516 -9.523 -6.062 1.00 0.00 H new ATOM 0 HB VAL A 11 0.257 -11.283 -5.721 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -0.333 -12.595 -7.719 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -1.746 -11.755 -7.037 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -0.954 -11.120 -8.498 1.00 0.00 H new ATOM 0 HG21 VAL A 11 1.923 -11.618 -7.503 1.00 0.00 H new ATOM 0 HG22 VAL A 11 1.399 -10.101 -8.272 1.00 0.00 H new ATOM 0 HG23 VAL A 11 2.157 -10.067 -6.662 1.00 0.00 H new ATOM 119 N GLY A 12 0.387 -9.277 -4.156 1.00 0.00 N ATOM 120 CA GLY A 12 1.136 -8.681 -3.065 1.00 0.00 C ATOM 121 C GLY A 12 2.460 -9.379 -2.820 1.00 0.00 C ATOM 122 O GLY A 12 2.647 -10.527 -3.220 1.00 0.00 O ATOM 0 H GLY A 12 -0.064 -10.164 -3.933 1.00 0.00 H new ATOM 0 HA2 GLY A 12 1.319 -7.629 -3.286 1.00 0.00 H new ATOM 0 HA3 GLY A 12 0.537 -8.716 -2.155 1.00 0.00 H new ATOM 126 N ASP A 13 3.380 -8.682 -2.160 1.00 0.00 N ATOM 127 CA ASP A 13 4.693 -9.243 -1.863 1.00 0.00 C ATOM 128 C ASP A 13 4.616 -10.206 -0.683 1.00 0.00 C ATOM 129 O ASP A 13 3.805 -10.028 0.226 1.00 0.00 O ATOM 130 CB ASP A 13 5.692 -8.122 -1.561 1.00 0.00 C ATOM 131 CG ASP A 13 6.603 -7.829 -2.737 1.00 0.00 C ATOM 132 OD1 ASP A 13 6.922 -8.773 -3.491 1.00 0.00 O ATOM 133 OD2 ASP A 13 6.999 -6.657 -2.905 1.00 0.00 O ATOM 0 H ASP A 13 3.241 -7.730 -1.821 1.00 0.00 H new ATOM 0 HA ASP A 13 5.034 -9.796 -2.738 1.00 0.00 H new ATOM 0 HB2 ASP A 13 5.148 -7.217 -1.292 1.00 0.00 H new ATOM 0 HB3 ASP A 13 6.296 -8.400 -0.697 1.00 0.00 H new ATOM 138 N ASP A 14 5.467 -11.227 -0.702 1.00 0.00 N ATOM 139 CA ASP A 14 5.494 -12.219 0.366 1.00 0.00 C ATOM 140 C ASP A 14 6.563 -11.878 1.400 1.00 0.00 C ATOM 141 O ASP A 14 7.294 -12.752 1.865 1.00 0.00 O ATOM 142 CB ASP A 14 5.749 -13.614 -0.211 1.00 0.00 C ATOM 143 CG ASP A 14 4.885 -14.676 0.442 1.00 0.00 C ATOM 144 OD1 ASP A 14 3.742 -14.356 0.827 1.00 0.00 O ATOM 145 OD2 ASP A 14 5.354 -15.827 0.568 1.00 0.00 O ATOM 0 H ASP A 14 6.147 -11.389 -1.445 1.00 0.00 H new ATOM 0 HA ASP A 14 4.523 -12.211 0.860 1.00 0.00 H new ATOM 0 HB2 ASP A 14 5.556 -13.601 -1.284 1.00 0.00 H new ATOM 0 HB3 ASP A 14 6.800 -13.872 -0.079 1.00 0.00 H new ATOM 150 N PHE A 15 6.648 -10.600 1.755 1.00 0.00 N ATOM 151 CA PHE A 15 7.627 -10.142 2.734 1.00 0.00 C ATOM 152 C PHE A 15 7.356 -8.697 3.141 1.00 0.00 C ATOM 153 O PHE A 15 7.160 -7.828 2.291 1.00 0.00 O ATOM 154 CB PHE A 15 9.044 -10.267 2.169 1.00 0.00 C ATOM 155 CG PHE A 15 10.119 -9.961 3.172 1.00 0.00 C ATOM 156 CD1 PHE A 15 10.141 -10.604 4.400 1.00 0.00 C ATOM 157 CD2 PHE A 15 11.106 -9.031 2.889 1.00 0.00 C ATOM 158 CE1 PHE A 15 11.129 -10.325 5.325 1.00 0.00 C ATOM 159 CE2 PHE A 15 12.096 -8.749 3.810 1.00 0.00 C ATOM 160 CZ PHE A 15 12.107 -9.396 5.030 1.00 0.00 C ATOM 0 H PHE A 15 6.051 -9.863 1.379 1.00 0.00 H new ATOM 0 HA PHE A 15 7.539 -10.773 3.619 1.00 0.00 H new ATOM 0 HB2 PHE A 15 9.188 -11.279 1.792 1.00 0.00 H new ATOM 0 HB3 PHE A 15 9.148 -9.592 1.319 1.00 0.00 H new ATOM 0 HD1 PHE A 15 9.378 -11.331 4.636 1.00 0.00 H new ATOM 0 HD2 PHE A 15 11.101 -8.521 1.937 1.00 0.00 H new ATOM 0 HE1 PHE A 15 11.136 -10.833 6.278 1.00 0.00 H new ATOM 0 HE2 PHE A 15 12.861 -8.023 3.576 1.00 0.00 H new ATOM 0 HZ PHE A 15 12.879 -9.176 5.752 1.00 0.00 H new ATOM 170 N LEU A 16 7.345 -8.448 4.446 1.00 0.00 N ATOM 171 CA LEU A 16 7.097 -7.108 4.966 1.00 0.00 C ATOM 172 C LEU A 16 8.398 -6.323 5.091 1.00 0.00 C ATOM 173 O LEU A 16 9.480 -6.849 4.830 1.00 0.00 O ATOM 174 CB LEU A 16 6.402 -7.187 6.327 1.00 0.00 C ATOM 175 CG LEU A 16 4.878 -7.313 6.269 1.00 0.00 C ATOM 176 CD1 LEU A 16 4.319 -7.652 7.643 1.00 0.00 C ATOM 177 CD2 LEU A 16 4.259 -6.028 5.742 1.00 0.00 C ATOM 0 H LEU A 16 7.505 -9.156 5.163 1.00 0.00 H new ATOM 0 HA LEU A 16 6.446 -6.587 4.263 1.00 0.00 H new ATOM 0 HB2 LEU A 16 6.802 -8.042 6.873 1.00 0.00 H new ATOM 0 HB3 LEU A 16 6.656 -6.295 6.900 1.00 0.00 H new ATOM 0 HG LEU A 16 4.623 -8.123 5.586 1.00 0.00 H new ATOM 0 HD11 LEU A 16 3.234 -7.738 7.583 1.00 0.00 H new ATOM 0 HD12 LEU A 16 4.740 -8.598 7.984 1.00 0.00 H new ATOM 0 HD13 LEU A 16 4.582 -6.863 8.348 1.00 0.00 H new ATOM 0 HD21 LEU A 16 3.175 -6.134 5.707 1.00 0.00 H new ATOM 0 HD22 LEU A 16 4.521 -5.201 6.401 1.00 0.00 H new ATOM 0 HD23 LEU A 16 4.636 -5.827 4.739 1.00 0.00 H new ATOM 189 N GLY A 17 8.285 -5.061 5.492 1.00 0.00 N ATOM 190 CA GLY A 17 9.461 -4.223 5.644 1.00 0.00 C ATOM 191 C GLY A 17 9.439 -3.420 6.931 1.00 0.00 C ATOM 192 O GLY A 17 9.149 -3.955 8.000 1.00 0.00 O ATOM 0 H GLY A 17 7.401 -4.604 5.714 1.00 0.00 H new ATOM 0 HA2 GLY A 17 10.354 -4.848 5.625 1.00 0.00 H new ATOM 0 HA3 GLY A 17 9.530 -3.542 4.796 1.00 0.00 H new ATOM 196 N ASP A 18 9.746 -2.130 6.826 1.00 0.00 N ATOM 197 CA ASP A 18 9.761 -1.251 7.989 1.00 0.00 C ATOM 198 C ASP A 18 8.766 -0.107 7.821 1.00 0.00 C ATOM 199 O ASP A 18 9.153 1.056 7.709 1.00 0.00 O ATOM 200 CB ASP A 18 11.168 -0.693 8.214 1.00 0.00 C ATOM 201 CG ASP A 18 11.393 -0.254 9.648 1.00 0.00 C ATOM 202 OD1 ASP A 18 10.680 -0.757 10.541 1.00 0.00 O ATOM 203 OD2 ASP A 18 12.282 0.593 9.877 1.00 0.00 O ATOM 0 H ASP A 18 9.987 -1.671 5.948 1.00 0.00 H new ATOM 0 HA ASP A 18 9.467 -1.837 8.860 1.00 0.00 H new ATOM 0 HB2 ASP A 18 11.904 -1.453 7.950 1.00 0.00 H new ATOM 0 HB3 ASP A 18 11.331 0.154 7.548 1.00 0.00 H new ATOM 208 N PHE A 19 7.481 -0.446 7.805 1.00 0.00 N ATOM 209 CA PHE A 19 6.429 0.552 7.651 1.00 0.00 C ATOM 210 C PHE A 19 5.355 0.377 8.718 1.00 0.00 C ATOM 211 O PHE A 19 4.798 -0.709 8.881 1.00 0.00 O ATOM 212 CB PHE A 19 5.801 0.453 6.259 1.00 0.00 C ATOM 213 CG PHE A 19 6.810 0.349 5.151 1.00 0.00 C ATOM 214 CD1 PHE A 19 7.310 1.489 4.544 1.00 0.00 C ATOM 215 CD2 PHE A 19 7.256 -0.889 4.716 1.00 0.00 C ATOM 216 CE1 PHE A 19 8.237 1.397 3.523 1.00 0.00 C ATOM 217 CE2 PHE A 19 8.182 -0.988 3.696 1.00 0.00 C ATOM 218 CZ PHE A 19 8.674 0.157 3.099 1.00 0.00 C ATOM 0 H PHE A 19 7.143 -1.404 7.897 1.00 0.00 H new ATOM 0 HA PHE A 19 6.878 1.538 7.770 1.00 0.00 H new ATOM 0 HB2 PHE A 19 5.146 -0.418 6.226 1.00 0.00 H new ATOM 0 HB3 PHE A 19 5.175 1.329 6.089 1.00 0.00 H new ATOM 0 HD1 PHE A 19 6.972 2.461 4.872 1.00 0.00 H new ATOM 0 HD2 PHE A 19 6.875 -1.787 5.180 1.00 0.00 H new ATOM 0 HE1 PHE A 19 8.619 2.293 3.057 1.00 0.00 H new ATOM 0 HE2 PHE A 19 8.521 -1.959 3.366 1.00 0.00 H new ATOM 0 HZ PHE A 19 9.399 0.083 2.302 1.00 0.00 H new ATOM 228 N VAL A 20 5.067 1.453 9.443 1.00 0.00 N ATOM 229 CA VAL A 20 4.059 1.418 10.495 1.00 0.00 C ATOM 230 C VAL A 20 2.824 2.218 10.100 1.00 0.00 C ATOM 231 O VAL A 20 2.767 2.793 9.012 1.00 0.00 O ATOM 232 CB VAL A 20 4.611 1.972 11.822 1.00 0.00 C ATOM 233 CG1 VAL A 20 5.671 1.041 12.391 1.00 0.00 C ATOM 234 CG2 VAL A 20 5.171 3.372 11.625 1.00 0.00 C ATOM 0 H VAL A 20 5.518 2.360 9.321 1.00 0.00 H new ATOM 0 HA VAL A 20 3.784 0.372 10.633 1.00 0.00 H new ATOM 0 HB VAL A 20 3.791 2.031 12.538 1.00 0.00 H new ATOM 0 HG11 VAL A 20 6.049 1.449 13.328 1.00 0.00 H new ATOM 0 HG12 VAL A 20 5.233 0.060 12.573 1.00 0.00 H new ATOM 0 HG13 VAL A 20 6.491 0.946 11.680 1.00 0.00 H new ATOM 0 HG21 VAL A 20 5.556 3.747 12.573 1.00 0.00 H new ATOM 0 HG22 VAL A 20 5.977 3.342 10.892 1.00 0.00 H new ATOM 0 HG23 VAL A 20 4.381 4.033 11.268 1.00 0.00 H new ATOM 244 N VAL A 21 1.837 2.251 10.988 1.00 0.00 N ATOM 245 CA VAL A 21 0.602 2.982 10.731 1.00 0.00 C ATOM 246 C VAL A 21 0.688 4.407 11.264 1.00 0.00 C ATOM 247 O VAL A 21 0.998 4.626 12.435 1.00 0.00 O ATOM 248 CB VAL A 21 -0.608 2.278 11.372 1.00 0.00 C ATOM 249 CG1 VAL A 21 -1.906 2.937 10.929 1.00 0.00 C ATOM 250 CG2 VAL A 21 -0.609 0.796 11.026 1.00 0.00 C ATOM 0 H VAL A 21 1.868 1.780 11.892 1.00 0.00 H new ATOM 0 HA VAL A 21 0.467 3.009 9.650 1.00 0.00 H new ATOM 0 HB VAL A 21 -0.529 2.375 12.455 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -2.750 2.426 11.392 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -1.905 3.984 11.233 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -1.994 2.874 9.844 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -1.471 0.315 11.488 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -0.662 0.675 9.944 1.00 0.00 H new ATOM 0 HG23 VAL A 21 0.306 0.335 11.398 1.00 0.00 H new ATOM 260 N GLY A 22 0.411 5.376 10.396 1.00 0.00 N ATOM 261 CA GLY A 22 0.464 6.769 10.798 1.00 0.00 C ATOM 262 C GLY A 22 1.773 7.434 10.419 1.00 0.00 C ATOM 263 O GLY A 22 2.306 8.246 11.175 1.00 0.00 O ATOM 0 H GLY A 22 0.151 5.221 9.422 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -0.362 7.309 10.335 1.00 0.00 H new ATOM 0 HA3 GLY A 22 0.324 6.838 11.877 1.00 0.00 H new ATOM 267 N GLU A 23 2.292 7.088 9.245 1.00 0.00 N ATOM 268 CA GLU A 23 3.547 7.656 8.767 1.00 0.00 C ATOM 269 C GLU A 23 3.420 8.116 7.318 1.00 0.00 C ATOM 270 O GLU A 23 2.469 7.757 6.624 1.00 0.00 O ATOM 271 CB GLU A 23 4.675 6.630 8.891 1.00 0.00 C ATOM 272 CG GLU A 23 4.433 5.359 8.094 1.00 0.00 C ATOM 273 CD GLU A 23 5.683 4.862 7.395 1.00 0.00 C ATOM 274 OE1 GLU A 23 6.419 5.698 6.827 1.00 0.00 O ATOM 275 OE2 GLU A 23 5.927 3.637 7.414 1.00 0.00 O ATOM 0 H GLU A 23 1.863 6.417 8.608 1.00 0.00 H new ATOM 0 HA GLU A 23 3.783 8.522 9.385 1.00 0.00 H new ATOM 0 HB2 GLU A 23 5.607 7.086 8.558 1.00 0.00 H new ATOM 0 HB3 GLU A 23 4.805 6.371 9.942 1.00 0.00 H new ATOM 0 HG2 GLU A 23 4.061 4.582 8.761 1.00 0.00 H new ATOM 0 HG3 GLU A 23 3.655 5.542 7.353 1.00 0.00 H new ATOM 282 N ARG A 24 4.384 8.913 6.869 1.00 0.00 N ATOM 283 CA ARG A 24 4.381 9.421 5.502 1.00 0.00 C ATOM 284 C ARG A 24 5.269 8.568 4.603 1.00 0.00 C ATOM 285 O ARG A 24 6.461 8.402 4.868 1.00 0.00 O ATOM 286 CB ARG A 24 4.852 10.877 5.477 1.00 0.00 C ATOM 287 CG ARG A 24 3.715 11.885 5.469 1.00 0.00 C ATOM 288 CD ARG A 24 2.848 11.758 6.711 1.00 0.00 C ATOM 289 NE ARG A 24 3.593 12.062 7.931 1.00 0.00 N ATOM 290 CZ ARG A 24 3.019 12.372 9.091 1.00 0.00 C ATOM 291 NH1 ARG A 24 1.698 12.420 9.194 1.00 0.00 N ATOM 292 NH2 ARG A 24 3.772 12.635 10.151 1.00 0.00 N ATOM 0 H ARG A 24 5.177 9.221 7.432 1.00 0.00 H new ATOM 0 HA ARG A 24 3.360 9.371 5.123 1.00 0.00 H new ATOM 0 HB2 ARG A 24 5.483 11.061 6.347 1.00 0.00 H new ATOM 0 HB3 ARG A 24 5.472 11.034 4.594 1.00 0.00 H new ATOM 0 HG2 ARG A 24 4.123 12.894 5.410 1.00 0.00 H new ATOM 0 HG3 ARG A 24 3.102 11.737 4.580 1.00 0.00 H new ATOM 0 HD2 ARG A 24 1.996 12.432 6.629 1.00 0.00 H new ATOM 0 HD3 ARG A 24 2.449 10.746 6.773 1.00 0.00 H new ATOM 0 HE ARG A 24 4.612 12.035 7.891 1.00 0.00 H new ATOM 0 HH11 ARG A 24 1.115 12.219 8.381 1.00 0.00 H new ATOM 0 HH12 ARG A 24 1.264 12.658 10.086 1.00 0.00 H new ATOM 0 HH21 ARG A 24 4.789 12.599 10.076 1.00 0.00 H new ATOM 0 HH22 ARG A 24 3.334 12.873 11.041 1.00 0.00 H new ATOM 306 N VAL A 25 4.683 8.030 3.539 1.00 0.00 N ATOM 307 CA VAL A 25 5.421 7.193 2.601 1.00 0.00 C ATOM 308 C VAL A 25 5.058 7.532 1.159 1.00 0.00 C ATOM 309 O VAL A 25 3.902 7.821 0.852 1.00 0.00 O ATOM 310 CB VAL A 25 5.151 5.698 2.849 1.00 0.00 C ATOM 311 CG1 VAL A 25 5.690 5.274 4.206 1.00 0.00 C ATOM 312 CG2 VAL A 25 3.663 5.399 2.741 1.00 0.00 C ATOM 0 H VAL A 25 3.699 8.159 3.305 1.00 0.00 H new ATOM 0 HA VAL A 25 6.480 7.394 2.763 1.00 0.00 H new ATOM 0 HB VAL A 25 5.671 5.123 2.083 1.00 0.00 H new ATOM 0 HG11 VAL A 25 5.489 4.214 4.362 1.00 0.00 H new ATOM 0 HG12 VAL A 25 6.765 5.449 4.241 1.00 0.00 H new ATOM 0 HG13 VAL A 25 5.202 5.855 4.989 1.00 0.00 H new ATOM 0 HG21 VAL A 25 3.491 4.337 2.919 1.00 0.00 H new ATOM 0 HG22 VAL A 25 3.120 5.984 3.483 1.00 0.00 H new ATOM 0 HG23 VAL A 25 3.311 5.661 1.743 1.00 0.00 H new ATOM 322 N TRP A 26 6.052 7.492 0.279 1.00 0.00 N ATOM 323 CA TRP A 26 5.837 7.794 -1.131 1.00 0.00 C ATOM 324 C TRP A 26 5.612 6.516 -1.933 1.00 0.00 C ATOM 325 O TRP A 26 6.529 5.715 -2.114 1.00 0.00 O ATOM 326 CB TRP A 26 7.032 8.562 -1.698 1.00 0.00 C ATOM 327 CG TRP A 26 7.000 10.027 -1.381 1.00 0.00 C ATOM 328 CD1 TRP A 26 6.832 11.053 -2.264 1.00 0.00 C ATOM 329 CD2 TRP A 26 7.143 10.627 -0.088 1.00 0.00 C ATOM 330 NE1 TRP A 26 6.861 12.256 -1.600 1.00 0.00 N ATOM 331 CE2 TRP A 26 7.051 12.021 -0.264 1.00 0.00 C ATOM 332 CE3 TRP A 26 7.340 10.122 1.200 1.00 0.00 C ATOM 333 CZ2 TRP A 26 7.147 12.913 0.800 1.00 0.00 C ATOM 334 CZ3 TRP A 26 7.436 11.009 2.255 1.00 0.00 C ATOM 335 CH2 TRP A 26 7.339 12.391 2.051 1.00 0.00 C ATOM 0 H TRP A 26 7.015 7.253 0.517 1.00 0.00 H new ATOM 0 HA TRP A 26 4.944 8.414 -1.212 1.00 0.00 H new ATOM 0 HB2 TRP A 26 7.952 8.132 -1.303 1.00 0.00 H new ATOM 0 HB3 TRP A 26 7.058 8.432 -2.780 1.00 0.00 H new ATOM 0 HD1 TRP A 26 6.696 10.937 -3.329 1.00 0.00 H new ATOM 0 HE1 TRP A 26 6.758 13.174 -2.032 1.00 0.00 H new ATOM 0 HE3 TRP A 26 7.416 9.058 1.368 1.00 0.00 H new ATOM 0 HZ2 TRP A 26 7.073 13.979 0.644 1.00 0.00 H new ATOM 0 HZ3 TRP A 26 7.589 10.630 3.255 1.00 0.00 H new ATOM 0 HH2 TRP A 26 7.417 13.058 2.897 1.00 0.00 H new ATOM 346 N VAL A 27 4.385 6.333 -2.411 1.00 0.00 N ATOM 347 CA VAL A 27 4.039 5.153 -3.194 1.00 0.00 C ATOM 348 C VAL A 27 4.701 5.190 -4.567 1.00 0.00 C ATOM 349 O VAL A 27 4.359 6.020 -5.410 1.00 0.00 O ATOM 350 CB VAL A 27 2.514 5.026 -3.374 1.00 0.00 C ATOM 351 CG1 VAL A 27 2.161 3.693 -4.016 1.00 0.00 C ATOM 352 CG2 VAL A 27 1.803 5.189 -2.040 1.00 0.00 C ATOM 0 H VAL A 27 3.615 6.987 -2.270 1.00 0.00 H new ATOM 0 HA VAL A 27 4.405 4.288 -2.641 1.00 0.00 H new ATOM 0 HB VAL A 27 2.178 5.823 -4.038 1.00 0.00 H new ATOM 0 HG11 VAL A 27 1.080 3.621 -4.135 1.00 0.00 H new ATOM 0 HG12 VAL A 27 2.639 3.622 -4.993 1.00 0.00 H new ATOM 0 HG13 VAL A 27 2.511 2.879 -3.381 1.00 0.00 H new ATOM 0 HG21 VAL A 27 0.727 5.096 -2.187 1.00 0.00 H new ATOM 0 HG22 VAL A 27 2.143 4.417 -1.350 1.00 0.00 H new ATOM 0 HG23 VAL A 27 2.029 6.171 -1.625 1.00 0.00 H new ATOM 362 N ASN A 28 5.649 4.285 -4.785 1.00 0.00 N ATOM 363 CA ASN A 28 6.360 4.213 -6.057 1.00 0.00 C ATOM 364 C ASN A 28 7.104 5.515 -6.341 1.00 0.00 C ATOM 365 O ASN A 28 7.312 5.882 -7.497 1.00 0.00 O ATOM 366 CB ASN A 28 5.382 3.913 -7.194 1.00 0.00 C ATOM 367 CG ASN A 28 4.612 2.626 -6.971 1.00 0.00 C ATOM 368 OD1 ASN A 28 3.382 2.615 -6.988 1.00 0.00 O ATOM 369 ND2 ASN A 28 5.335 1.533 -6.759 1.00 0.00 N ATOM 0 H ASN A 28 5.943 3.591 -4.098 1.00 0.00 H new ATOM 0 HA ASN A 28 7.090 3.406 -5.991 1.00 0.00 H new ATOM 0 HB2 ASN A 28 4.680 4.741 -7.293 1.00 0.00 H new ATOM 0 HB3 ASN A 28 5.931 3.847 -8.133 1.00 0.00 H new ATOM 0 HD21 ASN A 28 4.872 0.638 -6.602 1.00 0.00 H new ATOM 0 HD22 ASN A 28 6.353 1.588 -6.753 1.00 0.00 H new ATOM 376 N GLY A 29 7.505 6.207 -5.279 1.00 0.00 N ATOM 377 CA GLY A 29 8.223 7.459 -5.437 1.00 0.00 C ATOM 378 C GLY A 29 7.443 8.478 -6.246 1.00 0.00 C ATOM 379 O GLY A 29 7.929 8.975 -7.263 1.00 0.00 O ATOM 0 H GLY A 29 7.346 5.923 -4.312 1.00 0.00 H new ATOM 0 HA2 GLY A 29 8.445 7.873 -4.454 1.00 0.00 H new ATOM 0 HA3 GLY A 29 9.179 7.267 -5.925 1.00 0.00 H new ATOM 383 N VAL A 30 6.233 8.790 -5.795 1.00 0.00 N ATOM 384 CA VAL A 30 5.387 9.756 -6.484 1.00 0.00 C ATOM 385 C VAL A 30 4.839 10.797 -5.514 1.00 0.00 C ATOM 386 O VAL A 30 5.185 11.976 -5.592 1.00 0.00 O ATOM 387 CB VAL A 30 4.209 9.064 -7.196 1.00 0.00 C ATOM 388 CG1 VAL A 30 3.462 10.054 -8.077 1.00 0.00 C ATOM 389 CG2 VAL A 30 4.701 7.878 -8.012 1.00 0.00 C ATOM 0 H VAL A 30 5.816 8.388 -4.955 1.00 0.00 H new ATOM 0 HA VAL A 30 6.012 10.250 -7.228 1.00 0.00 H new ATOM 0 HB VAL A 30 3.518 8.693 -6.439 1.00 0.00 H new ATOM 0 HG11 VAL A 30 2.633 9.547 -8.572 1.00 0.00 H new ATOM 0 HG12 VAL A 30 3.075 10.868 -7.463 1.00 0.00 H new ATOM 0 HG13 VAL A 30 4.141 10.457 -8.828 1.00 0.00 H new ATOM 0 HG21 VAL A 30 3.855 7.402 -8.508 1.00 0.00 H new ATOM 0 HG22 VAL A 30 5.414 8.222 -8.761 1.00 0.00 H new ATOM 0 HG23 VAL A 30 5.187 7.159 -7.352 1.00 0.00 H new ATOM 399 N LYS A 31 3.981 10.354 -4.600 1.00 0.00 N ATOM 400 CA LYS A 31 3.385 11.247 -3.615 1.00 0.00 C ATOM 401 C LYS A 31 3.294 10.570 -2.249 1.00 0.00 C ATOM 402 O LYS A 31 3.134 9.352 -2.161 1.00 0.00 O ATOM 403 CB LYS A 31 1.993 11.689 -4.071 1.00 0.00 C ATOM 404 CG LYS A 31 1.980 12.334 -5.447 1.00 0.00 C ATOM 405 CD LYS A 31 0.950 13.449 -5.531 1.00 0.00 C ATOM 406 CE LYS A 31 0.817 13.980 -6.948 1.00 0.00 C ATOM 407 NZ LYS A 31 1.602 15.229 -7.150 1.00 0.00 N ATOM 0 H LYS A 31 3.684 9.381 -4.522 1.00 0.00 H new ATOM 0 HA LYS A 31 4.026 12.124 -3.524 1.00 0.00 H new ATOM 0 HB2 LYS A 31 1.330 10.824 -4.078 1.00 0.00 H new ATOM 0 HB3 LYS A 31 1.589 12.394 -3.345 1.00 0.00 H new ATOM 0 HG2 LYS A 31 2.969 12.733 -5.672 1.00 0.00 H new ATOM 0 HG3 LYS A 31 1.762 11.579 -6.202 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -0.016 13.079 -5.188 1.00 0.00 H new ATOM 0 HD3 LYS A 31 1.236 14.261 -4.863 1.00 0.00 H new ATOM 0 HE2 LYS A 31 1.155 13.221 -7.653 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -0.233 14.172 -7.166 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 1.484 15.558 -8.129 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 1.263 15.962 -6.495 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 2.608 15.040 -6.967 1.00 0.00 H new ATOM 421 N PRO A 32 3.395 11.354 -1.162 1.00 0.00 N ATOM 422 CA PRO A 32 3.323 10.823 0.203 1.00 0.00 C ATOM 423 C PRO A 32 1.916 10.366 0.573 1.00 0.00 C ATOM 424 O PRO A 32 0.930 10.835 0.003 1.00 0.00 O ATOM 425 CB PRO A 32 3.744 12.012 1.068 1.00 0.00 C ATOM 426 CG PRO A 32 3.388 13.211 0.261 1.00 0.00 C ATOM 427 CD PRO A 32 3.587 12.816 -1.177 1.00 0.00 C ATOM 0 HA PRO A 32 3.951 9.941 0.332 1.00 0.00 H new ATOM 0 HB2 PRO A 32 3.222 12.010 2.025 1.00 0.00 H new ATOM 0 HB3 PRO A 32 4.812 11.984 1.287 1.00 0.00 H new ATOM 0 HG2 PRO A 32 2.357 13.512 0.444 1.00 0.00 H new ATOM 0 HG3 PRO A 32 4.019 14.060 0.524 1.00 0.00 H new ATOM 0 HD2 PRO A 32 2.868 13.309 -1.832 1.00 0.00 H new ATOM 0 HD3 PRO A 32 4.581 13.087 -1.534 1.00 0.00 H new ATOM 435 N GLY A 33 1.829 9.447 1.530 1.00 0.00 N ATOM 436 CA GLY A 33 0.537 8.944 1.958 1.00 0.00 C ATOM 437 C GLY A 33 0.569 8.396 3.372 1.00 0.00 C ATOM 438 O GLY A 33 1.550 7.775 3.783 1.00 0.00 O ATOM 0 H GLY A 33 2.629 9.042 2.016 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -0.200 9.745 1.898 1.00 0.00 H new ATOM 0 HA3 GLY A 33 0.211 8.160 1.275 1.00 0.00 H new ATOM 442 N VAL A 34 -0.508 8.625 4.118 1.00 0.00 N ATOM 443 CA VAL A 34 -0.599 8.151 5.493 1.00 0.00 C ATOM 444 C VAL A 34 -1.066 6.700 5.544 1.00 0.00 C ATOM 445 O VAL A 34 -2.163 6.374 5.091 1.00 0.00 O ATOM 446 CB VAL A 34 -1.565 9.017 6.323 1.00 0.00 C ATOM 447 CG1 VAL A 34 -1.496 8.635 7.794 1.00 0.00 C ATOM 448 CG2 VAL A 34 -1.253 10.494 6.134 1.00 0.00 C ATOM 0 H VAL A 34 -1.329 9.136 3.793 1.00 0.00 H new ATOM 0 HA VAL A 34 0.401 8.224 5.919 1.00 0.00 H new ATOM 0 HB VAL A 34 -2.581 8.835 5.972 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -2.185 9.258 8.364 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -1.772 7.587 7.911 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -0.481 8.786 8.162 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -1.945 11.091 6.728 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -0.232 10.694 6.457 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -1.358 10.756 5.081 1.00 0.00 H new ATOM 458 N VAL A 35 -0.226 5.832 6.099 1.00 0.00 N ATOM 459 CA VAL A 35 -0.552 4.416 6.209 1.00 0.00 C ATOM 460 C VAL A 35 -1.623 4.179 7.269 1.00 0.00 C ATOM 461 O VAL A 35 -1.510 4.659 8.397 1.00 0.00 O ATOM 462 CB VAL A 35 0.692 3.578 6.558 1.00 0.00 C ATOM 463 CG1 VAL A 35 0.375 2.091 6.475 1.00 0.00 C ATOM 464 CG2 VAL A 35 1.851 3.935 5.642 1.00 0.00 C ATOM 0 H VAL A 35 0.686 6.085 6.480 1.00 0.00 H new ATOM 0 HA VAL A 35 -0.931 4.103 5.236 1.00 0.00 H new ATOM 0 HB VAL A 35 0.986 3.807 7.582 1.00 0.00 H new ATOM 0 HG11 VAL A 35 1.266 1.515 6.725 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -0.423 1.849 7.178 1.00 0.00 H new ATOM 0 HG13 VAL A 35 0.054 1.843 5.463 1.00 0.00 H new ATOM 0 HG21 VAL A 35 2.721 3.333 5.904 1.00 0.00 H new ATOM 0 HG22 VAL A 35 1.571 3.737 4.607 1.00 0.00 H new ATOM 0 HG23 VAL A 35 2.093 4.991 5.757 1.00 0.00 H new ATOM 474 N GLN A 36 -2.660 3.436 6.899 1.00 0.00 N ATOM 475 CA GLN A 36 -3.752 3.134 7.819 1.00 0.00 C ATOM 476 C GLN A 36 -3.809 1.641 8.123 1.00 0.00 C ATOM 477 O GLN A 36 -3.920 1.237 9.280 1.00 0.00 O ATOM 478 CB GLN A 36 -5.085 3.599 7.228 1.00 0.00 C ATOM 479 CG GLN A 36 -5.508 4.981 7.697 1.00 0.00 C ATOM 480 CD GLN A 36 -6.087 4.969 9.098 1.00 0.00 C ATOM 481 OE1 GLN A 36 -7.301 4.866 9.280 1.00 0.00 O ATOM 482 NE2 GLN A 36 -5.220 5.075 10.097 1.00 0.00 N ATOM 0 H GLN A 36 -2.768 3.031 5.969 1.00 0.00 H new ATOM 0 HA GLN A 36 -3.569 3.668 8.751 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -5.010 3.600 6.141 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -5.861 2.881 7.493 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -4.647 5.649 7.669 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -6.248 5.385 7.006 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -4.223 5.158 9.900 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -5.551 5.073 11.062 1.00 0.00 H new ATOM 491 N TYR A 37 -3.732 0.826 7.076 1.00 0.00 N ATOM 492 CA TYR A 37 -3.775 -0.624 7.231 1.00 0.00 C ATOM 493 C TYR A 37 -2.431 -1.249 6.872 1.00 0.00 C ATOM 494 O TYR A 37 -1.677 -0.705 6.066 1.00 0.00 O ATOM 495 CB TYR A 37 -4.878 -1.218 6.353 1.00 0.00 C ATOM 496 CG TYR A 37 -5.293 -2.613 6.763 1.00 0.00 C ATOM 497 CD1 TYR A 37 -6.290 -2.813 7.709 1.00 0.00 C ATOM 498 CD2 TYR A 37 -4.687 -3.731 6.202 1.00 0.00 C ATOM 499 CE1 TYR A 37 -6.672 -4.087 8.086 1.00 0.00 C ATOM 500 CE2 TYR A 37 -5.065 -5.008 6.572 1.00 0.00 C ATOM 501 CZ TYR A 37 -6.056 -5.180 7.514 1.00 0.00 C ATOM 502 OH TYR A 37 -6.435 -6.450 7.886 1.00 0.00 O ATOM 0 H TYR A 37 -3.640 1.145 6.111 1.00 0.00 H new ATOM 0 HA TYR A 37 -3.991 -0.847 8.276 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -5.749 -0.564 6.387 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -4.535 -1.239 5.318 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -6.775 -1.959 8.158 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -3.908 -3.600 5.465 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -7.448 -4.225 8.824 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -4.586 -5.867 6.125 1.00 0.00 H new ATOM 0 HH TYR A 37 -5.905 -7.108 7.389 1.00 0.00 H new ATOM 512 N LEU A 38 -2.139 -2.397 7.476 1.00 0.00 N ATOM 513 CA LEU A 38 -0.886 -3.098 7.220 1.00 0.00 C ATOM 514 C LEU A 38 -1.067 -4.605 7.363 1.00 0.00 C ATOM 515 O LEU A 38 -1.414 -5.101 8.435 1.00 0.00 O ATOM 516 CB LEU A 38 0.201 -2.609 8.181 1.00 0.00 C ATOM 517 CG LEU A 38 1.015 -1.414 7.682 1.00 0.00 C ATOM 518 CD1 LEU A 38 1.893 -0.865 8.794 1.00 0.00 C ATOM 519 CD2 LEU A 38 1.860 -1.811 6.479 1.00 0.00 C ATOM 0 H LEU A 38 -2.753 -2.861 8.146 1.00 0.00 H new ATOM 0 HA LEU A 38 -0.580 -2.883 6.196 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -0.267 -2.341 9.128 1.00 0.00 H new ATOM 0 HB3 LEU A 38 0.883 -3.434 8.385 1.00 0.00 H new ATOM 0 HG LEU A 38 0.323 -0.630 7.373 1.00 0.00 H new ATOM 0 HD11 LEU A 38 2.465 -0.015 8.420 1.00 0.00 H new ATOM 0 HD12 LEU A 38 1.267 -0.543 9.627 1.00 0.00 H new ATOM 0 HD13 LEU A 38 2.578 -1.642 9.134 1.00 0.00 H new ATOM 0 HD21 LEU A 38 2.433 -0.949 6.136 1.00 0.00 H new ATOM 0 HD22 LEU A 38 2.543 -2.612 6.763 1.00 0.00 H new ATOM 0 HD23 LEU A 38 1.210 -2.157 5.676 1.00 0.00 H new ATOM 531 N GLY A 39 -0.832 -5.330 6.273 1.00 0.00 N ATOM 532 CA GLY A 39 -0.977 -6.773 6.298 1.00 0.00 C ATOM 533 C GLY A 39 -1.544 -7.321 5.004 1.00 0.00 C ATOM 534 O GLY A 39 -1.655 -6.600 4.013 1.00 0.00 O ATOM 0 H GLY A 39 -0.544 -4.943 5.374 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -0.005 -7.229 6.487 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -1.629 -7.055 7.125 1.00 0.00 H new ATOM 538 N GLU A 40 -1.905 -8.600 5.014 1.00 0.00 N ATOM 539 CA GLU A 40 -2.465 -9.246 3.831 1.00 0.00 C ATOM 540 C GLU A 40 -3.929 -8.863 3.644 1.00 0.00 C ATOM 541 O GLU A 40 -4.776 -9.177 4.481 1.00 0.00 O ATOM 542 CB GLU A 40 -2.334 -10.766 3.943 1.00 0.00 C ATOM 543 CG GLU A 40 -0.948 -11.229 4.363 1.00 0.00 C ATOM 544 CD GLU A 40 -0.967 -12.585 5.040 1.00 0.00 C ATOM 545 OE1 GLU A 40 -0.920 -13.607 4.324 1.00 0.00 O ATOM 546 OE2 GLU A 40 -1.028 -12.625 6.287 1.00 0.00 O ATOM 0 H GLU A 40 -1.820 -9.210 5.827 1.00 0.00 H new ATOM 0 HA GLU A 40 -1.904 -8.903 2.961 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -3.064 -11.133 4.664 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -2.582 -11.215 2.981 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -0.303 -11.274 3.486 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -0.514 -10.494 5.041 1.00 0.00 H new ATOM 553 N THR A 41 -4.221 -8.183 2.539 1.00 0.00 N ATOM 554 CA THR A 41 -5.583 -7.757 2.242 1.00 0.00 C ATOM 555 C THR A 41 -6.481 -8.961 1.969 1.00 0.00 C ATOM 556 O THR A 41 -6.041 -10.107 2.052 1.00 0.00 O ATOM 557 CB THR A 41 -5.594 -6.816 1.036 1.00 0.00 C ATOM 558 OG1 THR A 41 -4.748 -7.304 0.011 1.00 0.00 O ATOM 559 CG2 THR A 41 -5.146 -5.410 1.372 1.00 0.00 C ATOM 0 H THR A 41 -3.532 -7.916 1.835 1.00 0.00 H new ATOM 0 HA THR A 41 -5.969 -7.226 3.112 1.00 0.00 H new ATOM 0 HB THR A 41 -6.632 -6.780 0.706 1.00 0.00 H new ATOM 0 HG1 THR A 41 -3.931 -6.763 -0.024 1.00 0.00 H new ATOM 0 HG21 THR A 41 -5.177 -4.794 0.473 1.00 0.00 H new ATOM 0 HG22 THR A 41 -5.810 -4.987 2.125 1.00 0.00 H new ATOM 0 HG23 THR A 41 -4.128 -5.436 1.760 1.00 0.00 H new ATOM 567 N GLN A 42 -7.741 -8.691 1.643 1.00 0.00 N ATOM 568 CA GLN A 42 -8.699 -9.752 1.358 1.00 0.00 C ATOM 569 C GLN A 42 -8.951 -9.870 -0.143 1.00 0.00 C ATOM 570 O GLN A 42 -9.240 -10.955 -0.649 1.00 0.00 O ATOM 571 CB GLN A 42 -10.017 -9.487 2.088 1.00 0.00 C ATOM 572 CG GLN A 42 -9.916 -9.636 3.597 1.00 0.00 C ATOM 573 CD GLN A 42 -11.198 -10.155 4.219 1.00 0.00 C ATOM 574 OE1 GLN A 42 -12.282 -10.002 3.654 1.00 0.00 O ATOM 575 NE2 GLN A 42 -11.081 -10.774 5.388 1.00 0.00 N ATOM 0 H GLN A 42 -8.122 -7.748 1.570 1.00 0.00 H new ATOM 0 HA GLN A 42 -8.277 -10.693 1.713 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -10.357 -8.478 1.853 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -10.775 -10.175 1.713 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -9.099 -10.316 3.837 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -9.668 -8.671 4.038 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -10.163 -10.878 5.820 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -11.909 -11.145 5.854 1.00 0.00 H new ATOM 584 N PHE A 43 -8.842 -8.748 -0.847 1.00 0.00 N ATOM 585 CA PHE A 43 -9.060 -8.728 -2.289 1.00 0.00 C ATOM 586 C PHE A 43 -7.894 -9.382 -3.025 1.00 0.00 C ATOM 587 O PHE A 43 -8.085 -10.040 -4.048 1.00 0.00 O ATOM 588 CB PHE A 43 -9.248 -7.289 -2.777 1.00 0.00 C ATOM 589 CG PHE A 43 -8.014 -6.442 -2.647 1.00 0.00 C ATOM 590 CD1 PHE A 43 -7.032 -6.471 -3.623 1.00 0.00 C ATOM 591 CD2 PHE A 43 -7.838 -5.616 -1.548 1.00 0.00 C ATOM 592 CE1 PHE A 43 -5.896 -5.692 -3.507 1.00 0.00 C ATOM 593 CE2 PHE A 43 -6.704 -4.835 -1.425 1.00 0.00 C ATOM 594 CZ PHE A 43 -5.731 -4.874 -2.407 1.00 0.00 C ATOM 0 H PHE A 43 -8.604 -7.842 -0.443 1.00 0.00 H new ATOM 0 HA PHE A 43 -9.964 -9.297 -2.504 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -9.558 -7.306 -3.822 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -10.057 -6.826 -2.212 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -7.155 -7.110 -4.485 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -8.595 -5.582 -0.779 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -5.138 -5.723 -4.276 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -6.578 -4.196 -0.564 1.00 0.00 H new ATOM 0 HZ PHE A 43 -4.844 -4.266 -2.314 1.00 0.00 H new ATOM 604 N ALA A 44 -6.688 -9.193 -2.500 1.00 0.00 N ATOM 605 CA ALA A 44 -5.493 -9.764 -3.108 1.00 0.00 C ATOM 606 C ALA A 44 -4.625 -10.463 -2.065 1.00 0.00 C ATOM 607 O ALA A 44 -4.589 -10.058 -0.903 1.00 0.00 O ATOM 608 CB ALA A 44 -4.695 -8.680 -3.818 1.00 0.00 C ATOM 0 H ALA A 44 -6.513 -8.649 -1.655 1.00 0.00 H new ATOM 0 HA ALA A 44 -5.808 -10.509 -3.839 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -3.805 -9.119 -4.268 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -5.309 -8.227 -4.596 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -4.399 -7.916 -3.099 1.00 0.00 H new ATOM 614 N PRO A 45 -3.912 -11.530 -2.467 1.00 0.00 N ATOM 615 CA PRO A 45 -3.043 -12.285 -1.561 1.00 0.00 C ATOM 616 C PRO A 45 -1.771 -11.521 -1.206 1.00 0.00 C ATOM 617 O PRO A 45 -1.655 -10.328 -1.482 1.00 0.00 O ATOM 618 CB PRO A 45 -2.704 -13.541 -2.365 1.00 0.00 C ATOM 619 CG PRO A 45 -2.805 -13.115 -3.788 1.00 0.00 C ATOM 620 CD PRO A 45 -3.898 -12.081 -3.836 1.00 0.00 C ATOM 0 HA PRO A 45 -3.527 -12.489 -0.606 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -1.703 -13.904 -2.130 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -3.398 -14.352 -2.144 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -1.860 -12.700 -4.139 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -3.040 -13.962 -4.433 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -3.688 -11.310 -4.577 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -4.858 -12.524 -4.100 1.00 0.00 H new ATOM 628 N GLY A 46 -0.821 -12.219 -0.594 1.00 0.00 N ATOM 629 CA GLY A 46 0.431 -11.592 -0.211 1.00 0.00 C ATOM 630 C GLY A 46 0.233 -10.449 0.765 1.00 0.00 C ATOM 631 O GLY A 46 -0.879 -10.209 1.235 1.00 0.00 O ATOM 0 H GLY A 46 -0.895 -13.208 -0.356 1.00 0.00 H new ATOM 0 HA2 GLY A 46 1.086 -12.339 0.238 1.00 0.00 H new ATOM 0 HA3 GLY A 46 0.935 -11.221 -1.103 1.00 0.00 H new ATOM 635 N GLN A 47 1.317 -9.741 1.072 1.00 0.00 N ATOM 636 CA GLN A 47 1.260 -8.618 2.000 1.00 0.00 C ATOM 637 C GLN A 47 0.729 -7.366 1.307 1.00 0.00 C ATOM 638 O GLN A 47 0.919 -7.182 0.105 1.00 0.00 O ATOM 639 CB GLN A 47 2.646 -8.341 2.585 1.00 0.00 C ATOM 640 CG GLN A 47 3.181 -9.478 3.442 1.00 0.00 C ATOM 641 CD GLN A 47 2.468 -9.590 4.774 1.00 0.00 C ATOM 642 OE1 GLN A 47 2.206 -8.586 5.438 1.00 0.00 O ATOM 643 NE2 GLN A 47 2.151 -10.815 5.174 1.00 0.00 N ATOM 0 H GLN A 47 2.245 -9.926 0.691 1.00 0.00 H new ATOM 0 HA GLN A 47 0.578 -8.882 2.808 1.00 0.00 H new ATOM 0 HB2 GLN A 47 3.344 -8.151 1.770 1.00 0.00 H new ATOM 0 HB3 GLN A 47 2.603 -7.433 3.186 1.00 0.00 H new ATOM 0 HG2 GLN A 47 3.077 -10.417 2.899 1.00 0.00 H new ATOM 0 HG3 GLN A 47 4.246 -9.326 3.616 1.00 0.00 H new ATOM 0 HE21 GLN A 47 2.387 -11.619 4.592 1.00 0.00 H new ATOM 0 HE22 GLN A 47 1.671 -10.953 6.063 1.00 0.00 H new ATOM 652 N TRP A 48 0.064 -6.510 2.074 1.00 0.00 N ATOM 653 CA TRP A 48 -0.495 -5.275 1.537 1.00 0.00 C ATOM 654 C TRP A 48 -0.417 -4.149 2.563 1.00 0.00 C ATOM 655 O TRP A 48 -0.527 -4.385 3.766 1.00 0.00 O ATOM 656 CB TRP A 48 -1.948 -5.493 1.113 1.00 0.00 C ATOM 657 CG TRP A 48 -2.083 -6.159 -0.221 1.00 0.00 C ATOM 658 CD1 TRP A 48 -2.057 -7.498 -0.470 1.00 0.00 C ATOM 659 CD2 TRP A 48 -2.267 -5.518 -1.488 1.00 0.00 C ATOM 660 NE1 TRP A 48 -2.212 -7.733 -1.814 1.00 0.00 N ATOM 661 CE2 TRP A 48 -2.342 -6.532 -2.462 1.00 0.00 C ATOM 662 CE3 TRP A 48 -2.373 -4.184 -1.894 1.00 0.00 C ATOM 663 CZ2 TRP A 48 -2.521 -6.254 -3.814 1.00 0.00 C ATOM 664 CZ3 TRP A 48 -2.551 -3.910 -3.239 1.00 0.00 C ATOM 665 CH2 TRP A 48 -2.623 -4.940 -4.183 1.00 0.00 C ATOM 0 H TRP A 48 -0.101 -6.649 3.071 1.00 0.00 H new ATOM 0 HA TRP A 48 0.093 -4.988 0.665 1.00 0.00 H new ATOM 0 HB2 TRP A 48 -2.452 -6.099 1.866 1.00 0.00 H new ATOM 0 HB3 TRP A 48 -2.459 -4.531 1.084 1.00 0.00 H new ATOM 0 HD1 TRP A 48 -1.932 -8.264 0.281 1.00 0.00 H new ATOM 0 HE1 TRP A 48 -2.228 -8.651 -2.258 1.00 0.00 H new ATOM 0 HE3 TRP A 48 -2.317 -3.383 -1.172 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 -2.577 -7.047 -4.545 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 -2.636 -2.884 -3.565 1.00 0.00 H new ATOM 0 HH2 TRP A 48 -2.762 -4.693 -5.225 1.00 0.00 H new ATOM 676 N ALA A 49 -0.226 -2.926 2.080 1.00 0.00 N ATOM 677 CA ALA A 49 -0.133 -1.764 2.955 1.00 0.00 C ATOM 678 C ALA A 49 -1.042 -0.638 2.470 1.00 0.00 C ATOM 679 O ALA A 49 -0.769 -0.003 1.452 1.00 0.00 O ATOM 680 CB ALA A 49 1.307 -1.282 3.041 1.00 0.00 C ATOM 0 H ALA A 49 -0.133 -2.714 1.087 1.00 0.00 H new ATOM 0 HA ALA A 49 -0.465 -2.061 3.950 1.00 0.00 H new ATOM 0 HB1 ALA A 49 1.361 -0.414 3.698 1.00 0.00 H new ATOM 0 HB2 ALA A 49 1.934 -2.079 3.440 1.00 0.00 H new ATOM 0 HB3 ALA A 49 1.659 -1.007 2.047 1.00 0.00 H new ATOM 686 N GLY A 50 -2.122 -0.398 3.207 1.00 0.00 N ATOM 687 CA GLY A 50 -3.053 0.650 2.836 1.00 0.00 C ATOM 688 C GLY A 50 -2.518 2.037 3.138 1.00 0.00 C ATOM 689 O GLY A 50 -2.384 2.417 4.301 1.00 0.00 O ATOM 0 H GLY A 50 -2.368 -0.911 4.054 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -3.275 0.574 1.772 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -3.992 0.502 3.369 1.00 0.00 H new ATOM 693 N VAL A 51 -2.212 2.792 2.089 1.00 0.00 N ATOM 694 CA VAL A 51 -1.689 4.144 2.247 1.00 0.00 C ATOM 695 C VAL A 51 -2.712 5.185 1.805 1.00 0.00 C ATOM 696 O VAL A 51 -3.368 5.025 0.775 1.00 0.00 O ATOM 697 CB VAL A 51 -0.391 4.342 1.442 1.00 0.00 C ATOM 698 CG1 VAL A 51 0.246 5.683 1.775 1.00 0.00 C ATOM 699 CG2 VAL A 51 0.580 3.202 1.705 1.00 0.00 C ATOM 0 H VAL A 51 -2.317 2.491 1.120 1.00 0.00 H new ATOM 0 HA VAL A 51 -1.474 4.278 3.307 1.00 0.00 H new ATOM 0 HB VAL A 51 -0.640 4.339 0.381 1.00 0.00 H new ATOM 0 HG11 VAL A 51 1.162 5.804 1.196 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -0.448 6.487 1.529 1.00 0.00 H new ATOM 0 HG13 VAL A 51 0.481 5.720 2.839 1.00 0.00 H new ATOM 0 HG21 VAL A 51 1.491 3.359 1.128 1.00 0.00 H new ATOM 0 HG22 VAL A 51 0.824 3.170 2.767 1.00 0.00 H new ATOM 0 HG23 VAL A 51 0.122 2.258 1.409 1.00 0.00 H new ATOM 709 N VAL A 52 -2.843 6.250 2.589 1.00 0.00 N ATOM 710 CA VAL A 52 -3.786 7.317 2.277 1.00 0.00 C ATOM 711 C VAL A 52 -3.068 8.532 1.701 1.00 0.00 C ATOM 712 O VAL A 52 -2.408 9.277 2.425 1.00 0.00 O ATOM 713 CB VAL A 52 -4.582 7.747 3.525 1.00 0.00 C ATOM 714 CG1 VAL A 52 -5.666 8.747 3.150 1.00 0.00 C ATOM 715 CG2 VAL A 52 -5.183 6.534 4.221 1.00 0.00 C ATOM 0 H VAL A 52 -2.308 6.397 3.445 1.00 0.00 H new ATOM 0 HA VAL A 52 -4.478 6.921 1.534 1.00 0.00 H new ATOM 0 HB VAL A 52 -3.897 8.233 4.220 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -6.217 9.039 4.044 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -5.208 9.629 2.702 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -6.350 8.291 2.435 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -5.741 6.858 5.100 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -5.854 6.016 3.535 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -4.385 5.858 4.527 1.00 0.00 H new ATOM 725 N LEU A 53 -3.201 8.727 0.393 1.00 0.00 N ATOM 726 CA LEU A 53 -2.565 9.853 -0.281 1.00 0.00 C ATOM 727 C LEU A 53 -3.060 11.178 0.288 1.00 0.00 C ATOM 728 O LEU A 53 -4.073 11.226 0.987 1.00 0.00 O ATOM 729 CB LEU A 53 -2.841 9.796 -1.785 1.00 0.00 C ATOM 730 CG LEU A 53 -2.022 8.758 -2.553 1.00 0.00 C ATOM 731 CD1 LEU A 53 -2.678 8.442 -3.888 1.00 0.00 C ATOM 732 CD2 LEU A 53 -0.598 9.250 -2.760 1.00 0.00 C ATOM 0 H LEU A 53 -3.744 8.120 -0.221 1.00 0.00 H new ATOM 0 HA LEU A 53 -1.490 9.785 -0.113 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -3.900 9.586 -1.937 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -2.646 10.779 -2.213 1.00 0.00 H new ATOM 0 HG LEU A 53 -1.987 7.842 -1.963 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -2.081 7.702 -4.420 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -3.679 8.046 -3.717 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -2.745 9.352 -4.485 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -0.030 8.499 -3.308 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -0.613 10.180 -3.329 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -0.129 9.425 -1.792 1.00 0.00 H new ATOM 744 N ASP A 54 -2.340 12.253 -0.016 1.00 0.00 N ATOM 745 CA ASP A 54 -2.706 13.580 0.465 1.00 0.00 C ATOM 746 C ASP A 54 -3.446 14.365 -0.614 1.00 0.00 C ATOM 747 O ASP A 54 -3.343 15.590 -0.685 1.00 0.00 O ATOM 748 CB ASP A 54 -1.459 14.348 0.905 1.00 0.00 C ATOM 749 CG ASP A 54 -0.458 14.519 -0.221 1.00 0.00 C ATOM 750 OD1 ASP A 54 0.310 13.569 -0.483 1.00 0.00 O ATOM 751 OD2 ASP A 54 -0.443 15.602 -0.842 1.00 0.00 O ATOM 0 H ASP A 54 -1.499 12.231 -0.593 1.00 0.00 H new ATOM 0 HA ASP A 54 -3.370 13.458 1.321 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -1.753 15.329 1.278 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -0.984 13.821 1.733 1.00 0.00 H new ATOM 756 N ASP A 55 -4.191 13.651 -1.452 1.00 0.00 N ATOM 757 CA ASP A 55 -4.948 14.281 -2.527 1.00 0.00 C ATOM 758 C ASP A 55 -5.846 13.264 -3.228 1.00 0.00 C ATOM 759 O ASP A 55 -5.581 12.063 -3.195 1.00 0.00 O ATOM 760 CB ASP A 55 -3.996 14.926 -3.538 1.00 0.00 C ATOM 761 CG ASP A 55 -4.156 16.432 -3.603 1.00 0.00 C ATOM 762 OD1 ASP A 55 -4.592 17.028 -2.595 1.00 0.00 O ATOM 763 OD2 ASP A 55 -3.845 17.018 -4.662 1.00 0.00 O ATOM 0 H ASP A 55 -4.286 12.636 -1.407 1.00 0.00 H new ATOM 0 HA ASP A 55 -5.580 15.054 -2.090 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -2.968 14.684 -3.270 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -4.177 14.501 -4.525 1.00 0.00 H new ATOM 768 N PRO A 56 -6.926 13.735 -3.877 1.00 0.00 N ATOM 769 CA PRO A 56 -7.863 12.862 -4.588 1.00 0.00 C ATOM 770 C PRO A 56 -7.258 12.279 -5.862 1.00 0.00 C ATOM 771 O PRO A 56 -7.732 12.545 -6.966 1.00 0.00 O ATOM 772 CB PRO A 56 -9.029 13.793 -4.925 1.00 0.00 C ATOM 773 CG PRO A 56 -8.421 15.151 -4.985 1.00 0.00 C ATOM 774 CD PRO A 56 -7.314 15.156 -3.967 1.00 0.00 C ATOM 0 HA PRO A 56 -8.151 11.998 -3.989 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -9.490 13.523 -5.875 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -9.810 13.741 -4.166 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -8.035 15.362 -5.982 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -9.161 15.920 -4.761 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -6.479 15.781 -4.284 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -7.654 15.541 -3.006 1.00 0.00 H new ATOM 782 N VAL A 57 -6.205 11.484 -5.700 1.00 0.00 N ATOM 783 CA VAL A 57 -5.533 10.865 -6.836 1.00 0.00 C ATOM 784 C VAL A 57 -5.136 9.426 -6.523 1.00 0.00 C ATOM 785 O VAL A 57 -4.140 8.920 -7.040 1.00 0.00 O ATOM 786 CB VAL A 57 -4.275 11.654 -7.242 1.00 0.00 C ATOM 787 CG1 VAL A 57 -4.653 13.033 -7.761 1.00 0.00 C ATOM 788 CG2 VAL A 57 -3.311 11.763 -6.070 1.00 0.00 C ATOM 0 H VAL A 57 -5.799 11.254 -4.793 1.00 0.00 H new ATOM 0 HA VAL A 57 -6.242 10.872 -7.664 1.00 0.00 H new ATOM 0 HB VAL A 57 -3.774 11.114 -8.045 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -3.751 13.576 -8.043 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -5.301 12.929 -8.631 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -5.179 13.584 -6.981 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -2.428 12.324 -6.376 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -3.800 12.279 -5.243 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -3.014 10.765 -5.750 1.00 0.00 H new ATOM 798 N GLY A 58 -5.923 8.772 -5.675 1.00 0.00 N ATOM 799 CA GLY A 58 -5.636 7.396 -5.309 1.00 0.00 C ATOM 800 C GLY A 58 -6.386 6.399 -6.170 1.00 0.00 C ATOM 801 O GLY A 58 -6.563 6.613 -7.368 1.00 0.00 O ATOM 0 H GLY A 58 -6.753 9.169 -5.235 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -4.565 7.215 -5.398 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -5.900 7.239 -4.263 1.00 0.00 H new ATOM 805 N LYS A 59 -6.829 5.306 -5.556 1.00 0.00 N ATOM 806 CA LYS A 59 -7.564 4.271 -6.274 1.00 0.00 C ATOM 807 C LYS A 59 -8.887 3.963 -5.581 1.00 0.00 C ATOM 808 O LYS A 59 -9.957 4.107 -6.173 1.00 0.00 O ATOM 809 CB LYS A 59 -6.722 2.998 -6.378 1.00 0.00 C ATOM 810 CG LYS A 59 -5.589 3.098 -7.387 1.00 0.00 C ATOM 811 CD LYS A 59 -6.021 2.608 -8.759 1.00 0.00 C ATOM 812 CE LYS A 59 -4.858 2.600 -9.739 1.00 0.00 C ATOM 813 NZ LYS A 59 -4.933 1.451 -10.682 1.00 0.00 N ATOM 0 H LYS A 59 -6.692 5.115 -4.564 1.00 0.00 H new ATOM 0 HA LYS A 59 -7.777 4.641 -7.277 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -6.305 2.767 -5.398 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -7.370 2.166 -6.653 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -5.254 4.133 -7.458 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -4.739 2.510 -7.041 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -6.434 1.603 -8.674 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -6.816 3.248 -9.141 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -4.853 3.533 -10.303 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -3.919 2.556 -9.187 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -4.122 1.482 -11.333 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -4.912 0.560 -10.146 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -5.817 1.507 -11.227 1.00 0.00 H new ATOM 827 N ASN A 60 -8.807 3.540 -4.324 1.00 0.00 N ATOM 828 CA ASN A 60 -9.999 3.212 -3.551 1.00 0.00 C ATOM 829 C ASN A 60 -10.276 4.279 -2.497 1.00 0.00 C ATOM 830 O ASN A 60 -9.539 5.259 -2.382 1.00 0.00 O ATOM 831 CB ASN A 60 -9.837 1.847 -2.879 1.00 0.00 C ATOM 832 CG ASN A 60 -10.351 0.712 -3.743 1.00 0.00 C ATOM 833 OD1 ASN A 60 -11.559 0.544 -3.911 1.00 0.00 O ATOM 834 ND2 ASN A 60 -9.434 -0.073 -4.297 1.00 0.00 N ATOM 0 H ASN A 60 -7.929 3.416 -3.819 1.00 0.00 H new ATOM 0 HA ASN A 60 -10.846 3.175 -4.236 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -8.784 1.679 -2.653 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -10.371 1.847 -1.929 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -9.720 -0.852 -4.889 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -8.443 0.104 -4.130 1.00 0.00 H new ATOM 841 N ASP A 61 -11.342 4.082 -1.730 1.00 0.00 N ATOM 842 CA ASP A 61 -11.717 5.027 -0.684 1.00 0.00 C ATOM 843 C ASP A 61 -11.436 4.447 0.698 1.00 0.00 C ATOM 844 O ASP A 61 -11.118 5.179 1.636 1.00 0.00 O ATOM 845 CB ASP A 61 -13.199 5.393 -0.805 1.00 0.00 C ATOM 846 CG ASP A 61 -14.102 4.177 -0.733 1.00 0.00 C ATOM 847 OD1 ASP A 61 -13.613 3.058 -0.998 1.00 0.00 O ATOM 848 OD2 ASP A 61 -15.297 4.344 -0.412 1.00 0.00 O ATOM 0 H ASP A 61 -11.962 3.276 -1.813 1.00 0.00 H new ATOM 0 HA ASP A 61 -11.116 5.928 -0.810 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -13.465 6.088 -0.008 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -13.367 5.911 -1.749 1.00 0.00 H new ATOM 853 N GLY A 62 -11.556 3.130 0.816 1.00 0.00 N ATOM 854 CA GLY A 62 -11.311 2.473 2.087 1.00 0.00 C ATOM 855 C GLY A 62 -11.870 1.065 2.131 1.00 0.00 C ATOM 856 O GLY A 62 -11.338 0.200 2.828 1.00 0.00 O ATOM 0 H GLY A 62 -11.819 2.505 0.054 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -10.238 2.440 2.274 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -11.756 3.062 2.889 1.00 0.00 H new ATOM 860 N ALA A 63 -12.945 0.834 1.385 1.00 0.00 N ATOM 861 CA ALA A 63 -13.578 -0.480 1.340 1.00 0.00 C ATOM 862 C ALA A 63 -13.507 -1.076 -0.062 1.00 0.00 C ATOM 863 O ALA A 63 -14.170 -0.600 -0.984 1.00 0.00 O ATOM 864 CB ALA A 63 -15.023 -0.384 1.802 1.00 0.00 C ATOM 0 H ALA A 63 -13.397 1.539 0.803 1.00 0.00 H new ATOM 0 HA ALA A 63 -13.035 -1.142 2.015 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -15.484 -1.371 1.764 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -15.054 -0.009 2.825 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -15.569 0.297 1.149 1.00 0.00 H new ATOM 870 N VAL A 64 -12.698 -2.119 -0.216 1.00 0.00 N ATOM 871 CA VAL A 64 -12.542 -2.780 -1.505 1.00 0.00 C ATOM 872 C VAL A 64 -13.249 -4.131 -1.521 1.00 0.00 C ATOM 873 O VAL A 64 -13.052 -4.956 -0.628 1.00 0.00 O ATOM 874 CB VAL A 64 -11.056 -2.988 -1.854 1.00 0.00 C ATOM 875 CG1 VAL A 64 -10.908 -3.493 -3.281 1.00 0.00 C ATOM 876 CG2 VAL A 64 -10.274 -1.699 -1.653 1.00 0.00 C ATOM 0 H VAL A 64 -12.141 -2.524 0.536 1.00 0.00 H new ATOM 0 HA VAL A 64 -12.995 -2.127 -2.251 1.00 0.00 H new ATOM 0 HB VAL A 64 -10.647 -3.742 -1.182 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -9.852 -3.634 -3.509 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -11.432 -4.443 -3.387 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -11.334 -2.765 -3.971 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -9.227 -1.866 -1.905 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -10.683 -0.921 -2.298 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -10.352 -1.385 -0.612 1.00 0.00 H new ATOM 886 N GLY A 65 -14.073 -4.350 -2.540 1.00 0.00 N ATOM 887 CA GLY A 65 -14.797 -5.603 -2.654 1.00 0.00 C ATOM 888 C GLY A 65 -15.720 -5.851 -1.476 1.00 0.00 C ATOM 889 O GLY A 65 -16.057 -6.996 -1.175 1.00 0.00 O ATOM 0 H GLY A 65 -14.253 -3.682 -3.290 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -15.381 -5.599 -3.574 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -14.085 -6.424 -2.732 1.00 0.00 H new ATOM 893 N GLY A 66 -16.130 -4.777 -0.808 1.00 0.00 N ATOM 894 CA GLY A 66 -17.016 -4.909 0.334 1.00 0.00 C ATOM 895 C GLY A 66 -16.267 -4.933 1.652 1.00 0.00 C ATOM 896 O GLY A 66 -16.808 -4.540 2.686 1.00 0.00 O ATOM 0 H GLY A 66 -15.865 -3.819 -1.037 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -17.724 -4.080 0.338 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -17.598 -5.825 0.234 1.00 0.00 H new ATOM 900 N VAL A 67 -15.022 -5.396 1.616 1.00 0.00 N ATOM 901 CA VAL A 67 -14.200 -5.470 2.819 1.00 0.00 C ATOM 902 C VAL A 67 -13.688 -4.091 3.219 1.00 0.00 C ATOM 903 O VAL A 67 -13.055 -3.397 2.424 1.00 0.00 O ATOM 904 CB VAL A 67 -13.000 -6.414 2.621 1.00 0.00 C ATOM 905 CG1 VAL A 67 -12.262 -6.624 3.935 1.00 0.00 C ATOM 906 CG2 VAL A 67 -13.456 -7.744 2.040 1.00 0.00 C ATOM 0 H VAL A 67 -14.560 -5.725 0.768 1.00 0.00 H new ATOM 0 HA VAL A 67 -14.834 -5.863 3.613 1.00 0.00 H new ATOM 0 HB VAL A 67 -12.311 -5.952 1.914 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -11.417 -7.294 3.775 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -11.900 -5.665 4.306 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -12.940 -7.063 4.667 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -12.594 -8.398 1.907 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -14.166 -8.214 2.720 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -13.935 -7.575 1.076 1.00 0.00 H new ATOM 916 N ARG A 68 -13.964 -3.701 4.459 1.00 0.00 N ATOM 917 CA ARG A 68 -13.530 -2.404 4.968 1.00 0.00 C ATOM 918 C ARG A 68 -12.278 -2.548 5.827 1.00 0.00 C ATOM 919 O ARG A 68 -12.139 -3.509 6.584 1.00 0.00 O ATOM 920 CB ARG A 68 -14.649 -1.752 5.782 1.00 0.00 C ATOM 921 CG ARG A 68 -14.369 -0.302 6.148 1.00 0.00 C ATOM 922 CD ARG A 68 -14.681 -0.026 7.610 1.00 0.00 C ATOM 923 NE ARG A 68 -16.010 -0.501 7.986 1.00 0.00 N ATOM 924 CZ ARG A 68 -17.140 0.122 7.659 1.00 0.00 C ATOM 925 NH1 ARG A 68 -17.106 1.242 6.947 1.00 0.00 N ATOM 926 NH2 ARG A 68 -18.307 -0.377 8.042 1.00 0.00 N ATOM 0 H ARG A 68 -14.486 -4.264 5.130 1.00 0.00 H new ATOM 0 HA ARG A 68 -13.292 -1.768 4.115 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -15.577 -1.802 5.213 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -14.804 -2.325 6.696 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -13.323 -0.071 5.948 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -14.967 0.356 5.517 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -13.932 -0.509 8.238 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -14.612 1.045 7.799 1.00 0.00 H new ATOM 0 HE ARG A 68 -16.076 -1.361 8.531 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -16.211 1.629 6.648 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -17.975 1.715 6.699 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -18.339 -1.238 8.587 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -19.173 0.100 7.791 1.00 0.00 H new ATOM 940 N TYR A 69 -11.369 -1.586 5.705 1.00 0.00 N ATOM 941 CA TYR A 69 -10.127 -1.606 6.470 1.00 0.00 C ATOM 942 C TYR A 69 -9.973 -0.327 7.287 1.00 0.00 C ATOM 943 O TYR A 69 -9.929 -0.367 8.517 1.00 0.00 O ATOM 944 CB TYR A 69 -8.930 -1.773 5.533 1.00 0.00 C ATOM 945 CG TYR A 69 -9.095 -2.896 4.533 1.00 0.00 C ATOM 946 CD1 TYR A 69 -9.876 -2.730 3.396 1.00 0.00 C ATOM 947 CD2 TYR A 69 -8.470 -4.121 4.727 1.00 0.00 C ATOM 948 CE1 TYR A 69 -10.029 -3.753 2.480 1.00 0.00 C ATOM 949 CE2 TYR A 69 -8.618 -5.150 3.816 1.00 0.00 C ATOM 950 CZ TYR A 69 -9.398 -4.961 2.694 1.00 0.00 C ATOM 951 OH TYR A 69 -9.547 -5.982 1.784 1.00 0.00 O ATOM 0 H TYR A 69 -11.469 -0.783 5.084 1.00 0.00 H new ATOM 0 HA TYR A 69 -10.164 -2.453 7.156 1.00 0.00 H new ATOM 0 HB2 TYR A 69 -8.768 -0.839 4.995 1.00 0.00 H new ATOM 0 HB3 TYR A 69 -8.036 -1.957 6.129 1.00 0.00 H new ATOM 0 HD1 TYR A 69 -10.372 -1.786 3.225 1.00 0.00 H new ATOM 0 HD2 TYR A 69 -7.858 -4.272 5.604 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -10.639 -3.608 1.601 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -8.126 -6.097 3.982 1.00 0.00 H new ATOM 0 HH TYR A 69 -9.918 -5.625 0.950 1.00 0.00 H new ATOM 961 N PHE A 70 -9.891 0.805 6.596 1.00 0.00 N ATOM 962 CA PHE A 70 -9.741 2.096 7.258 1.00 0.00 C ATOM 963 C PHE A 70 -10.720 3.117 6.686 1.00 0.00 C ATOM 964 O PHE A 70 -10.901 3.206 5.472 1.00 0.00 O ATOM 965 CB PHE A 70 -8.307 2.606 7.107 1.00 0.00 C ATOM 966 CG PHE A 70 -7.839 2.671 5.681 1.00 0.00 C ATOM 967 CD1 PHE A 70 -7.331 1.546 5.053 1.00 0.00 C ATOM 968 CD2 PHE A 70 -7.909 3.858 4.969 1.00 0.00 C ATOM 969 CE1 PHE A 70 -6.900 1.602 3.741 1.00 0.00 C ATOM 970 CE2 PHE A 70 -7.480 3.921 3.657 1.00 0.00 C ATOM 971 CZ PHE A 70 -6.975 2.791 3.042 1.00 0.00 C ATOM 0 H PHE A 70 -9.926 0.855 5.578 1.00 0.00 H new ATOM 0 HA PHE A 70 -9.961 1.962 8.317 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -8.235 3.599 7.550 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -7.638 1.956 7.671 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -7.271 0.614 5.595 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -8.303 4.744 5.445 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -6.505 0.718 3.263 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -7.539 4.852 3.113 1.00 0.00 H new ATOM 0 HZ PHE A 70 -6.640 2.838 2.016 1.00 0.00 H new ATOM 981 N GLU A 71 -11.349 3.884 7.570 1.00 0.00 N ATOM 982 CA GLU A 71 -12.310 4.899 7.154 1.00 0.00 C ATOM 983 C GLU A 71 -11.597 6.168 6.692 1.00 0.00 C ATOM 984 O GLU A 71 -11.096 6.942 7.508 1.00 0.00 O ATOM 985 CB GLU A 71 -13.267 5.225 8.302 1.00 0.00 C ATOM 986 CG GLU A 71 -14.727 5.276 7.880 1.00 0.00 C ATOM 987 CD GLU A 71 -15.607 4.357 8.704 1.00 0.00 C ATOM 988 OE1 GLU A 71 -15.420 3.125 8.622 1.00 0.00 O ATOM 989 OE2 GLU A 71 -16.483 4.870 9.432 1.00 0.00 O ATOM 0 H GLU A 71 -11.211 3.822 8.579 1.00 0.00 H new ATOM 0 HA GLU A 71 -12.882 4.501 6.316 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -13.150 4.477 9.086 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -12.988 6.186 8.735 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -15.092 6.299 7.971 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -14.807 5.002 6.828 1.00 0.00 H new ATOM 996 N CYS A 72 -11.554 6.371 5.379 1.00 0.00 N ATOM 997 CA CYS A 72 -10.903 7.546 4.810 1.00 0.00 C ATOM 998 C CYS A 72 -11.688 8.078 3.614 1.00 0.00 C ATOM 999 O CYS A 72 -12.557 7.391 3.077 1.00 0.00 O ATOM 1000 CB CYS A 72 -9.474 7.204 4.384 1.00 0.00 C ATOM 1001 SG CYS A 72 -8.235 7.478 5.673 1.00 0.00 S ATOM 0 H CYS A 72 -11.961 5.739 4.690 1.00 0.00 H new ATOM 0 HA CYS A 72 -10.873 8.321 5.576 1.00 0.00 H new ATOM 0 HB2 CYS A 72 -9.438 6.159 4.076 1.00 0.00 H new ATOM 0 HB3 CYS A 72 -9.213 7.802 3.511 1.00 0.00 H new ATOM 0 HG CYS A 72 -8.798 7.391 6.842 1.00 0.00 H new ATOM 1007 N PRO A 73 -11.391 9.316 3.181 1.00 0.00 N ATOM 1008 CA PRO A 73 -12.076 9.938 2.043 1.00 0.00 C ATOM 1009 C PRO A 73 -12.060 9.050 0.803 1.00 0.00 C ATOM 1010 O PRO A 73 -11.584 7.916 0.845 1.00 0.00 O ATOM 1011 CB PRO A 73 -11.268 11.215 1.796 1.00 0.00 C ATOM 1012 CG PRO A 73 -10.643 11.528 3.112 1.00 0.00 C ATOM 1013 CD PRO A 73 -10.368 10.202 3.765 1.00 0.00 C ATOM 0 HA PRO A 73 -13.131 10.119 2.251 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -10.513 11.063 1.025 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -11.908 12.030 1.458 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -9.723 12.097 2.981 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -11.309 12.135 3.726 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -9.360 9.849 3.549 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -10.459 10.261 4.850 1.00 0.00 H new ATOM 1021 N ALA A 74 -12.585 9.574 -0.301 1.00 0.00 N ATOM 1022 CA ALA A 74 -12.632 8.829 -1.552 1.00 0.00 C ATOM 1023 C ALA A 74 -11.422 9.146 -2.425 1.00 0.00 C ATOM 1024 O ALA A 74 -10.858 10.237 -2.349 1.00 0.00 O ATOM 1025 CB ALA A 74 -13.920 9.133 -2.301 1.00 0.00 C ATOM 0 H ALA A 74 -12.983 10.512 -0.353 1.00 0.00 H new ATOM 0 HA ALA A 74 -12.607 7.766 -1.314 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -13.940 8.569 -3.234 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -14.774 8.849 -1.686 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -13.970 10.199 -2.521 1.00 0.00 H new ATOM 1031 N LEU A 75 -11.029 8.185 -3.255 1.00 0.00 N ATOM 1032 CA LEU A 75 -9.887 8.361 -4.144 1.00 0.00 C ATOM 1033 C LEU A 75 -8.613 8.634 -3.349 1.00 0.00 C ATOM 1034 O LEU A 75 -7.701 9.303 -3.832 1.00 0.00 O ATOM 1035 CB LEU A 75 -10.147 9.510 -5.121 1.00 0.00 C ATOM 1036 CG LEU A 75 -11.369 9.328 -6.022 1.00 0.00 C ATOM 1037 CD1 LEU A 75 -11.922 10.678 -6.449 1.00 0.00 C ATOM 1038 CD2 LEU A 75 -11.012 8.488 -7.240 1.00 0.00 C ATOM 0 H LEU A 75 -11.485 7.276 -3.330 1.00 0.00 H new ATOM 0 HA LEU A 75 -9.752 7.437 -4.706 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -10.269 10.431 -4.551 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -9.266 9.638 -5.750 1.00 0.00 H new ATOM 0 HG LEU A 75 -12.140 8.804 -5.456 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -12.791 10.529 -7.090 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -12.215 11.247 -5.567 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -11.157 11.228 -6.997 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -11.893 8.368 -7.870 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -10.225 8.985 -7.807 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -10.662 7.508 -6.916 1.00 0.00 H new ATOM 1050 N GLN A 76 -8.560 8.111 -2.128 1.00 0.00 N ATOM 1051 CA GLN A 76 -7.397 8.300 -1.268 1.00 0.00 C ATOM 1052 C GLN A 76 -6.910 6.968 -0.707 1.00 0.00 C ATOM 1053 O GLN A 76 -5.711 6.697 -0.670 1.00 0.00 O ATOM 1054 CB GLN A 76 -7.733 9.257 -0.122 1.00 0.00 C ATOM 1055 CG GLN A 76 -7.722 10.721 -0.530 1.00 0.00 C ATOM 1056 CD GLN A 76 -7.931 11.655 0.646 1.00 0.00 C ATOM 1057 OE1 GLN A 76 -8.831 12.495 0.634 1.00 0.00 O ATOM 1058 NE2 GLN A 76 -7.097 11.514 1.670 1.00 0.00 N ATOM 0 H GLN A 76 -9.307 7.554 -1.713 1.00 0.00 H new ATOM 0 HA GLN A 76 -6.599 8.732 -1.871 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -8.717 9.006 0.273 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -7.017 9.108 0.686 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -6.771 10.954 -1.010 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -8.503 10.894 -1.270 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -6.365 10.804 1.638 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -7.188 12.115 2.489 1.00 0.00 H new ATOM 1067 N GLY A 77 -7.852 6.140 -0.274 1.00 0.00 N ATOM 1068 CA GLY A 77 -7.506 4.844 0.279 1.00 0.00 C ATOM 1069 C GLY A 77 -6.960 3.894 -0.768 1.00 0.00 C ATOM 1070 O GLY A 77 -7.649 2.970 -1.199 1.00 0.00 O ATOM 0 H GLY A 77 -8.851 6.343 -0.296 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -6.765 4.975 1.068 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -8.389 4.402 0.741 1.00 0.00 H new ATOM 1074 N ILE A 78 -5.715 4.120 -1.178 1.00 0.00 N ATOM 1075 CA ILE A 78 -5.076 3.276 -2.182 1.00 0.00 C ATOM 1076 C ILE A 78 -4.379 2.084 -1.532 1.00 0.00 C ATOM 1077 O ILE A 78 -3.882 2.179 -0.410 1.00 0.00 O ATOM 1078 CB ILE A 78 -4.052 4.074 -3.015 1.00 0.00 C ATOM 1079 CG1 ILE A 78 -3.455 3.193 -4.115 1.00 0.00 C ATOM 1080 CG2 ILE A 78 -2.954 4.632 -2.119 1.00 0.00 C ATOM 1081 CD1 ILE A 78 -2.677 3.969 -5.155 1.00 0.00 C ATOM 0 H ILE A 78 -5.130 4.880 -0.831 1.00 0.00 H new ATOM 0 HA ILE A 78 -5.863 2.913 -2.844 1.00 0.00 H new ATOM 0 HB ILE A 78 -4.567 4.911 -3.487 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -2.798 2.452 -3.659 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -4.259 2.646 -4.608 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -2.241 5.192 -2.724 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -3.394 5.293 -1.372 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -2.440 3.811 -1.619 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -2.283 3.281 -5.903 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -3.335 4.691 -5.638 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -1.852 4.494 -4.675 1.00 0.00 H new ATOM 1093 N PHE A 79 -4.348 0.963 -2.245 1.00 0.00 N ATOM 1094 CA PHE A 79 -3.712 -0.248 -1.737 1.00 0.00 C ATOM 1095 C PHE A 79 -2.482 -0.606 -2.565 1.00 0.00 C ATOM 1096 O PHE A 79 -2.536 -0.637 -3.795 1.00 0.00 O ATOM 1097 CB PHE A 79 -4.704 -1.413 -1.748 1.00 0.00 C ATOM 1098 CG PHE A 79 -5.503 -1.531 -0.482 1.00 0.00 C ATOM 1099 CD1 PHE A 79 -4.924 -2.028 0.675 1.00 0.00 C ATOM 1100 CD2 PHE A 79 -6.834 -1.146 -0.448 1.00 0.00 C ATOM 1101 CE1 PHE A 79 -5.657 -2.138 1.842 1.00 0.00 C ATOM 1102 CE2 PHE A 79 -7.572 -1.255 0.715 1.00 0.00 C ATOM 1103 CZ PHE A 79 -6.982 -1.751 1.861 1.00 0.00 C ATOM 0 H PHE A 79 -4.755 0.867 -3.175 1.00 0.00 H new ATOM 0 HA PHE A 79 -3.395 -0.058 -0.712 1.00 0.00 H new ATOM 0 HB2 PHE A 79 -5.387 -1.291 -2.589 1.00 0.00 H new ATOM 0 HB3 PHE A 79 -4.159 -2.343 -1.912 1.00 0.00 H new ATOM 0 HD1 PHE A 79 -3.888 -2.333 0.665 1.00 0.00 H new ATOM 0 HD2 PHE A 79 -7.300 -0.756 -1.341 1.00 0.00 H new ATOM 0 HE1 PHE A 79 -5.194 -2.526 2.737 1.00 0.00 H new ATOM 0 HE2 PHE A 79 -8.609 -0.953 0.728 1.00 0.00 H new ATOM 0 HZ PHE A 79 -7.557 -1.836 2.771 1.00 0.00 H new ATOM 1113 N THR A 80 -1.374 -0.875 -1.883 1.00 0.00 N ATOM 1114 CA THR A 80 -0.130 -1.230 -2.554 1.00 0.00 C ATOM 1115 C THR A 80 0.816 -1.950 -1.599 1.00 0.00 C ATOM 1116 O THR A 80 0.646 -1.893 -0.381 1.00 0.00 O ATOM 1117 CB THR A 80 0.548 0.021 -3.114 1.00 0.00 C ATOM 1118 OG1 THR A 80 1.830 -0.291 -3.631 1.00 0.00 O ATOM 1119 CG2 THR A 80 0.722 1.118 -2.087 1.00 0.00 C ATOM 0 H THR A 80 -1.313 -0.854 -0.865 1.00 0.00 H new ATOM 0 HA THR A 80 -0.370 -1.903 -3.377 1.00 0.00 H new ATOM 0 HB THR A 80 -0.117 0.382 -3.899 1.00 0.00 H new ATOM 0 HG1 THR A 80 2.246 0.522 -3.986 1.00 0.00 H new ATOM 0 HG21 THR A 80 1.209 1.976 -2.550 1.00 0.00 H new ATOM 0 HG22 THR A 80 -0.254 1.417 -1.705 1.00 0.00 H new ATOM 0 HG23 THR A 80 1.337 0.752 -1.265 1.00 0.00 H new ATOM 1127 N ARG A 81 1.814 -2.628 -2.158 1.00 0.00 N ATOM 1128 CA ARG A 81 2.787 -3.358 -1.354 1.00 0.00 C ATOM 1129 C ARG A 81 3.698 -2.395 -0.596 1.00 0.00 C ATOM 1130 O ARG A 81 4.102 -1.361 -1.129 1.00 0.00 O ATOM 1131 CB ARG A 81 3.626 -4.278 -2.241 1.00 0.00 C ATOM 1132 CG ARG A 81 2.799 -5.263 -3.052 1.00 0.00 C ATOM 1133 CD ARG A 81 3.683 -6.237 -3.814 1.00 0.00 C ATOM 1134 NE ARG A 81 4.062 -5.720 -5.127 1.00 0.00 N ATOM 1135 CZ ARG A 81 4.541 -6.478 -6.112 1.00 0.00 C ATOM 1136 NH1 ARG A 81 4.701 -7.784 -5.936 1.00 0.00 N ATOM 1137 NH2 ARG A 81 4.861 -5.928 -7.275 1.00 0.00 N ATOM 0 H ARG A 81 1.970 -2.687 -3.164 1.00 0.00 H new ATOM 0 HA ARG A 81 2.241 -3.962 -0.629 1.00 0.00 H new ATOM 0 HB2 ARG A 81 4.221 -3.669 -2.922 1.00 0.00 H new ATOM 0 HB3 ARG A 81 4.326 -4.833 -1.616 1.00 0.00 H new ATOM 0 HG2 ARG A 81 2.135 -5.816 -2.388 1.00 0.00 H new ATOM 0 HG3 ARG A 81 2.167 -4.718 -3.753 1.00 0.00 H new ATOM 0 HD2 ARG A 81 4.581 -6.443 -3.232 1.00 0.00 H new ATOM 0 HD3 ARG A 81 3.158 -7.185 -3.935 1.00 0.00 H new ATOM 0 HE ARG A 81 3.953 -4.721 -5.299 1.00 0.00 H new ATOM 0 HH11 ARG A 81 4.457 -8.212 -5.043 1.00 0.00 H new ATOM 0 HH12 ARG A 81 5.068 -8.360 -6.694 1.00 0.00 H new ATOM 0 HH21 ARG A 81 4.740 -4.925 -7.415 1.00 0.00 H new ATOM 0 HH22 ARG A 81 5.228 -6.508 -8.030 1.00 0.00 H new ATOM 1151 N PRO A 82 4.041 -2.723 0.663 1.00 0.00 N ATOM 1152 CA PRO A 82 4.912 -1.879 1.488 1.00 0.00 C ATOM 1153 C PRO A 82 6.292 -1.701 0.865 1.00 0.00 C ATOM 1154 O PRO A 82 6.898 -0.635 0.970 1.00 0.00 O ATOM 1155 CB PRO A 82 5.016 -2.643 2.814 1.00 0.00 C ATOM 1156 CG PRO A 82 4.615 -4.042 2.491 1.00 0.00 C ATOM 1157 CD PRO A 82 3.613 -3.937 1.378 1.00 0.00 C ATOM 0 HA PRO A 82 4.513 -0.871 1.600 1.00 0.00 H new ATOM 0 HB2 PRO A 82 6.030 -2.606 3.211 1.00 0.00 H new ATOM 0 HB3 PRO A 82 4.361 -2.210 3.570 1.00 0.00 H new ATOM 0 HG2 PRO A 82 5.477 -4.635 2.185 1.00 0.00 H new ATOM 0 HG3 PRO A 82 4.182 -4.535 3.361 1.00 0.00 H new ATOM 0 HD2 PRO A 82 3.633 -4.815 0.732 1.00 0.00 H new ATOM 0 HD3 PRO A 82 2.596 -3.845 1.758 1.00 0.00 H new ATOM 1165 N SER A 83 6.781 -2.752 0.214 1.00 0.00 N ATOM 1166 CA SER A 83 8.088 -2.711 -0.429 1.00 0.00 C ATOM 1167 C SER A 83 8.136 -1.620 -1.495 1.00 0.00 C ATOM 1168 O SER A 83 9.199 -1.073 -1.789 1.00 0.00 O ATOM 1169 CB SER A 83 8.412 -4.068 -1.056 1.00 0.00 C ATOM 1170 OG SER A 83 8.944 -4.962 -0.094 1.00 0.00 O ATOM 0 H SER A 83 6.291 -3.642 0.118 1.00 0.00 H new ATOM 0 HA SER A 83 8.834 -2.482 0.332 1.00 0.00 H new ATOM 0 HB2 SER A 83 7.509 -4.495 -1.493 1.00 0.00 H new ATOM 0 HB3 SER A 83 9.127 -3.935 -1.868 1.00 0.00 H new ATOM 0 HG SER A 83 9.141 -5.822 -0.520 1.00 0.00 H new ATOM 1176 N LYS A 84 6.978 -1.309 -2.070 1.00 0.00 N ATOM 1177 CA LYS A 84 6.889 -0.283 -3.102 1.00 0.00 C ATOM 1178 C LYS A 84 6.930 1.113 -2.490 1.00 0.00 C ATOM 1179 O LYS A 84 7.376 2.068 -3.127 1.00 0.00 O ATOM 1180 CB LYS A 84 5.605 -0.458 -3.915 1.00 0.00 C ATOM 1181 CG LYS A 84 5.453 -1.842 -4.526 1.00 0.00 C ATOM 1182 CD LYS A 84 5.639 -1.813 -6.035 1.00 0.00 C ATOM 1183 CE LYS A 84 4.306 -1.897 -6.762 1.00 0.00 C ATOM 1184 NZ LYS A 84 4.371 -1.284 -8.118 1.00 0.00 N ATOM 0 H LYS A 84 6.089 -1.753 -1.839 1.00 0.00 H new ATOM 0 HA LYS A 84 7.749 -0.394 -3.763 1.00 0.00 H new ATOM 0 HB2 LYS A 84 4.748 -0.258 -3.272 1.00 0.00 H new ATOM 0 HB3 LYS A 84 5.586 0.286 -4.712 1.00 0.00 H new ATOM 0 HG2 LYS A 84 6.184 -2.518 -4.082 1.00 0.00 H new ATOM 0 HG3 LYS A 84 4.466 -2.239 -4.288 1.00 0.00 H new ATOM 0 HD2 LYS A 84 6.154 -0.896 -6.322 1.00 0.00 H new ATOM 0 HD3 LYS A 84 6.274 -2.644 -6.340 1.00 0.00 H new ATOM 0 HE2 LYS A 84 4.006 -2.941 -6.850 1.00 0.00 H new ATOM 0 HE3 LYS A 84 3.539 -1.394 -6.173 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 3.518 -0.712 -8.282 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 5.213 -0.677 -8.184 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 4.428 -2.034 -8.836 1.00 0.00 H new ATOM 1198 N LEU A 85 6.462 1.226 -1.251 1.00 0.00 N ATOM 1199 CA LEU A 85 6.444 2.506 -0.553 1.00 0.00 C ATOM 1200 C LEU A 85 7.860 2.957 -0.209 1.00 0.00 C ATOM 1201 O LEU A 85 8.763 2.134 -0.050 1.00 0.00 O ATOM 1202 CB LEU A 85 5.604 2.407 0.721 1.00 0.00 C ATOM 1203 CG LEU A 85 4.232 1.755 0.544 1.00 0.00 C ATOM 1204 CD1 LEU A 85 3.608 1.449 1.897 1.00 0.00 C ATOM 1205 CD2 LEU A 85 3.318 2.655 -0.274 1.00 0.00 C ATOM 0 H LEU A 85 6.090 0.446 -0.710 1.00 0.00 H new ATOM 0 HA LEU A 85 5.996 3.246 -1.216 1.00 0.00 H new ATOM 0 HB2 LEU A 85 6.165 1.841 1.464 1.00 0.00 H new ATOM 0 HB3 LEU A 85 5.463 3.410 1.124 1.00 0.00 H new ATOM 0 HG LEU A 85 4.363 0.816 0.006 1.00 0.00 H new ATOM 0 HD11 LEU A 85 2.632 0.985 1.751 1.00 0.00 H new ATOM 0 HD12 LEU A 85 4.254 0.768 2.450 1.00 0.00 H new ATOM 0 HD13 LEU A 85 3.489 2.374 2.461 1.00 0.00 H new ATOM 0 HD21 LEU A 85 2.346 2.176 -0.391 1.00 0.00 H new ATOM 0 HD22 LEU A 85 3.194 3.609 0.238 1.00 0.00 H new ATOM 0 HD23 LEU A 85 3.759 2.825 -1.256 1.00 0.00 H new ATOM 1217 N THR A 86 8.047 4.267 -0.094 1.00 0.00 N ATOM 1218 CA THR A 86 9.353 4.829 0.233 1.00 0.00 C ATOM 1219 C THR A 86 9.224 5.937 1.273 1.00 0.00 C ATOM 1220 O THR A 86 8.116 6.325 1.645 1.00 0.00 O ATOM 1221 CB THR A 86 10.028 5.373 -1.027 1.00 0.00 C ATOM 1222 OG1 THR A 86 9.190 6.311 -1.680 1.00 0.00 O ATOM 1223 CG2 THR A 86 10.381 4.296 -2.030 1.00 0.00 C ATOM 0 H THR A 86 7.310 4.961 -0.222 1.00 0.00 H new ATOM 0 HA THR A 86 9.968 4.032 0.651 1.00 0.00 H new ATOM 0 HB THR A 86 10.950 5.841 -0.681 1.00 0.00 H new ATOM 0 HG1 THR A 86 8.322 5.898 -1.869 1.00 0.00 H new ATOM 0 HG21 THR A 86 10.856 4.750 -2.899 1.00 0.00 H new ATOM 0 HG22 THR A 86 11.067 3.583 -1.572 1.00 0.00 H new ATOM 0 HG23 THR A 86 9.474 3.778 -2.342 1.00 0.00 H new ATOM 1231 N ARG A 87 10.361 6.443 1.738 1.00 0.00 N ATOM 1232 CA ARG A 87 10.374 7.508 2.735 1.00 0.00 C ATOM 1233 C ARG A 87 11.027 8.768 2.178 1.00 0.00 C ATOM 1234 O ARG A 87 11.635 9.542 2.917 1.00 0.00 O ATOM 1235 CB ARG A 87 11.114 7.048 3.992 1.00 0.00 C ATOM 1236 CG ARG A 87 10.240 6.270 4.964 1.00 0.00 C ATOM 1237 CD ARG A 87 9.980 7.053 6.243 1.00 0.00 C ATOM 1238 NE ARG A 87 10.494 6.360 7.422 1.00 0.00 N ATOM 1239 CZ ARG A 87 11.775 6.361 7.784 1.00 0.00 C ATOM 1240 NH1 ARG A 87 12.675 7.017 7.061 1.00 0.00 N ATOM 1241 NH2 ARG A 87 12.158 5.704 8.870 1.00 0.00 N ATOM 0 H ARG A 87 11.286 6.133 1.441 1.00 0.00 H new ATOM 0 HA ARG A 87 9.341 7.742 2.994 1.00 0.00 H new ATOM 0 HB2 ARG A 87 11.959 6.425 3.698 1.00 0.00 H new ATOM 0 HB3 ARG A 87 11.523 7.920 4.502 1.00 0.00 H new ATOM 0 HG2 ARG A 87 9.290 6.029 4.486 1.00 0.00 H new ATOM 0 HG3 ARG A 87 10.722 5.324 5.209 1.00 0.00 H new ATOM 0 HD2 ARG A 87 10.446 8.035 6.168 1.00 0.00 H new ATOM 0 HD3 ARG A 87 8.908 7.216 6.357 1.00 0.00 H new ATOM 0 HE ARG A 87 9.832 5.845 8.002 1.00 0.00 H new ATOM 0 HH11 ARG A 87 12.386 7.523 6.224 1.00 0.00 H new ATOM 0 HH12 ARG A 87 13.655 7.015 7.343 1.00 0.00 H new ATOM 0 HH21 ARG A 87 11.471 5.197 9.428 1.00 0.00 H new ATOM 0 HH22 ARG A 87 13.140 5.705 9.147 1.00 0.00 H new ATOM 1255 N GLN A 88 10.896 8.969 0.871 1.00 0.00 N ATOM 1256 CA GLN A 88 11.473 10.138 0.216 1.00 0.00 C ATOM 1257 C GLN A 88 11.124 10.155 -1.271 1.00 0.00 C ATOM 1258 O GLN A 88 11.139 9.116 -1.931 1.00 0.00 O ATOM 1259 CB GLN A 88 12.992 10.151 0.395 1.00 0.00 C ATOM 1260 CG GLN A 88 13.646 8.802 0.143 1.00 0.00 C ATOM 1261 CD GLN A 88 15.042 8.930 -0.434 1.00 0.00 C ATOM 1262 OE1 GLN A 88 16.018 9.084 0.301 1.00 0.00 O ATOM 1263 NE2 GLN A 88 15.143 8.868 -1.756 1.00 0.00 N ATOM 0 H GLN A 88 10.396 8.338 0.245 1.00 0.00 H new ATOM 0 HA GLN A 88 11.052 11.030 0.681 1.00 0.00 H new ATOM 0 HB2 GLN A 88 13.423 10.887 -0.284 1.00 0.00 H new ATOM 0 HB3 GLN A 88 13.227 10.476 1.409 1.00 0.00 H new ATOM 0 HG2 GLN A 88 13.693 8.245 1.079 1.00 0.00 H new ATOM 0 HG3 GLN A 88 13.025 8.224 -0.542 1.00 0.00 H new ATOM 0 HE21 GLN A 88 14.307 8.739 -2.326 1.00 0.00 H new ATOM 0 HE22 GLN A 88 16.057 8.949 -2.202 1.00 0.00 H new ATOM 1272 N PRO A 89 10.805 11.341 -1.823 1.00 0.00 N ATOM 1273 CA PRO A 89 10.453 11.482 -3.238 1.00 0.00 C ATOM 1274 C PRO A 89 11.673 11.399 -4.149 1.00 0.00 C ATOM 1275 O PRO A 89 12.644 12.135 -3.972 1.00 0.00 O ATOM 1276 CB PRO A 89 9.830 12.875 -3.305 1.00 0.00 C ATOM 1277 CG PRO A 89 10.490 13.632 -2.205 1.00 0.00 C ATOM 1278 CD PRO A 89 10.761 12.634 -1.112 1.00 0.00 C ATOM 0 HA PRO A 89 9.791 10.685 -3.578 1.00 0.00 H new ATOM 0 HB2 PRO A 89 10.009 13.344 -4.273 1.00 0.00 H new ATOM 0 HB3 PRO A 89 8.750 12.834 -3.166 1.00 0.00 H new ATOM 0 HG2 PRO A 89 11.416 14.092 -2.550 1.00 0.00 H new ATOM 0 HG3 PRO A 89 9.848 14.437 -1.847 1.00 0.00 H new ATOM 0 HD2 PRO A 89 11.702 12.843 -0.603 1.00 0.00 H new ATOM 0 HD3 PRO A 89 9.978 12.648 -0.354 1.00 0.00 H new