USER MOD reduce.3.24.130724 H: found=0, std=0, add=583, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 584 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 54 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 64 GLN : amide:sc= -0.548 K(o=-0.55,f=-1.1) USER MOD Set 2.1: A 52 THR OG1 : rot -86:sc= 0.249 USER MOD Set 2.2: A 66 ASN : amide:sc= 0.0949 K(o=0.34,f=-1.6!) USER MOD Set 2.3: A 82 THR OG1 : rot -169:sc= 0 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 18 GLN :FLIP amide:sc= -0.393 F(o=-1.3!,f=-0.39) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 26 THR OG1 : rot -140:sc= -2.61! USER MOD Single : A 27 SER OG : rot -150:sc= -4.13! USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 45 SER OG : rot 39:sc= 0.288 USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 ASN : amide:sc= -0.701 K(o=-0.7,f=-1.3) USER MOD Single : A 60 LYS NZ :NH3+ 167:sc= -0.0791 (180deg=-0.406) USER MOD Single : A 62 GLN : amide:sc= -6.62! C(o=-6.6!,f=-6.7!) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 75 GLN : amide:sc= 0 K(o=0,f=-0.63) USER MOD Single : A 76 GLN : amide:sc= 0 X(o=0,f=-0.45) USER MOD Single : A 84 GLN : amide:sc= 0 K(o=0,f=-0.86) USER MOD ----------------------------------------------------------------- ATOM 89 N ARG A 6 -6.988 -8.697 -0.582 1.00 0.00 N ATOM 90 CA ARG A 6 -7.748 -7.619 -0.056 1.00 0.00 C ATOM 91 C ARG A 6 -7.492 -7.672 1.416 1.00 0.00 C ATOM 92 O ARG A 6 -7.608 -8.713 2.074 1.00 0.00 O ATOM 93 CB ARG A 6 -9.205 -7.593 -0.508 1.00 0.00 C ATOM 94 CG ARG A 6 -10.107 -6.593 0.206 1.00 0.00 C ATOM 95 CD ARG A 6 -10.409 -6.948 1.658 1.00 0.00 C ATOM 96 NE ARG A 6 -11.271 -8.118 1.790 1.00 0.00 N ATOM 97 CZ ARG A 6 -11.179 -8.996 2.786 1.00 0.00 C ATOM 98 NH1 ARG A 6 -10.202 -8.896 3.681 1.00 0.00 N ATOM 99 NH2 ARG A 6 -12.062 -9.976 2.887 1.00 0.00 N ATOM 0 HA ARG A 6 -7.439 -6.652 -0.452 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -9.230 -7.377 -1.576 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -9.624 -8.590 -0.375 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -9.637 -5.610 0.174 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -11.047 -6.515 -0.340 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -9.472 -7.132 2.184 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -10.885 -6.096 2.143 1.00 0.00 H new ATOM 0 HE ARG A 6 -11.985 -8.272 1.078 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -9.518 -8.143 3.607 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -10.137 -9.572 4.442 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -12.813 -10.058 2.202 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -11.992 -10.649 3.650 1.00 0.00 H new ATOM 113 N LEU A 7 -6.971 -6.575 1.864 1.00 0.00 N ATOM 114 CA LEU A 7 -6.244 -6.538 3.063 1.00 0.00 C ATOM 115 C LEU A 7 -6.549 -5.292 3.838 1.00 0.00 C ATOM 116 O LEU A 7 -7.253 -4.378 3.351 1.00 0.00 O ATOM 117 CB LEU A 7 -4.730 -6.609 2.832 1.00 0.00 C ATOM 118 CG LEU A 7 -4.264 -6.299 1.425 1.00 0.00 C ATOM 119 CD1 LEU A 7 -4.578 -7.459 0.525 1.00 0.00 C ATOM 120 CD2 LEU A 7 -4.805 -4.930 0.955 1.00 0.00 C ATOM 0 H LEU A 7 -7.047 -5.675 1.391 1.00 0.00 H new ATOM 0 HA LEU A 7 -6.552 -7.417 3.629 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -4.244 -5.914 3.517 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -4.387 -7.610 3.096 1.00 0.00 H new ATOM 0 HG LEU A 7 -3.180 -6.185 1.393 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -4.242 -7.235 -0.488 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -4.066 -8.350 0.888 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -5.654 -7.635 0.520 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -4.457 -4.730 -0.058 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -5.895 -4.946 0.968 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -4.446 -4.148 1.624 1.00 0.00 H new ATOM 132 N PHE A 8 -5.965 -5.258 5.012 1.00 0.00 N ATOM 133 CA PHE A 8 -6.029 -4.081 5.834 1.00 0.00 C ATOM 134 C PHE A 8 -4.618 -3.520 5.849 1.00 0.00 C ATOM 135 O PHE A 8 -3.792 -3.873 6.701 1.00 0.00 O ATOM 136 CB PHE A 8 -6.503 -4.407 7.265 1.00 0.00 C ATOM 137 CG PHE A 8 -7.507 -5.544 7.386 1.00 0.00 C ATOM 138 CD1 PHE A 8 -8.397 -5.850 6.363 1.00 0.00 C ATOM 139 CD2 PHE A 8 -7.558 -6.304 8.545 1.00 0.00 C ATOM 140 CE1 PHE A 8 -9.305 -6.882 6.494 1.00 0.00 C ATOM 141 CE2 PHE A 8 -8.465 -7.337 8.680 1.00 0.00 C ATOM 142 CZ PHE A 8 -9.339 -7.627 7.653 1.00 0.00 C ATOM 0 H PHE A 8 -5.441 -6.034 5.417 1.00 0.00 H new ATOM 0 HA PHE A 8 -6.750 -3.366 5.438 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -5.630 -4.652 7.870 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -6.946 -3.509 7.694 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -8.378 -5.271 5.451 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -6.878 -6.085 9.355 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -9.989 -7.105 5.688 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -8.490 -7.918 9.590 1.00 0.00 H new ATOM 0 HZ PHE A 8 -10.048 -8.435 7.757 1.00 0.00 H new ATOM 152 N ALA A 9 -4.331 -2.695 4.862 1.00 0.00 N ATOM 153 CA ALA A 9 -2.965 -2.302 4.593 1.00 0.00 C ATOM 154 C ALA A 9 -2.589 -1.049 5.352 1.00 0.00 C ATOM 155 O ALA A 9 -3.160 0.017 5.125 1.00 0.00 O ATOM 156 CB ALA A 9 -2.766 -2.108 3.096 1.00 0.00 C ATOM 0 H ALA A 9 -5.024 -2.286 4.235 1.00 0.00 H new ATOM 0 HA ALA A 9 -2.307 -3.099 4.937 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -1.735 -1.812 2.901 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -2.980 -3.042 2.576 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -3.440 -1.331 2.737 1.00 0.00 H new ATOM 162 N ILE A 10 -1.647 -1.192 6.266 1.00 0.00 N ATOM 163 CA ILE A 10 -1.107 -0.050 6.976 1.00 0.00 C ATOM 164 C ILE A 10 0.166 0.416 6.279 1.00 0.00 C ATOM 165 O ILE A 10 1.237 -0.153 6.464 1.00 0.00 O ATOM 166 CB ILE A 10 -0.807 -0.383 8.455 1.00 0.00 C ATOM 167 CG1 ILE A 10 -2.054 -0.964 9.129 1.00 0.00 C ATOM 168 CG2 ILE A 10 -0.333 0.863 9.195 1.00 0.00 C ATOM 169 CD1 ILE A 10 -1.822 -1.413 10.557 1.00 0.00 C ATOM 0 H ILE A 10 -1.241 -2.089 6.533 1.00 0.00 H new ATOM 0 HA ILE A 10 -1.854 0.744 6.965 1.00 0.00 H new ATOM 0 HB ILE A 10 -0.012 -1.128 8.491 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -2.845 -0.214 9.117 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -2.410 -1.812 8.544 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -0.126 0.612 10.235 1.00 0.00 H new ATOM 0 HG22 ILE A 10 0.575 1.242 8.726 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -1.109 1.628 9.154 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -2.749 -1.813 10.968 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -1.054 -2.186 10.575 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -1.496 -0.564 11.157 1.00 0.00 H new ATOM 181 N LEU A 11 0.038 1.435 5.458 1.00 0.00 N ATOM 182 CA LEU A 11 1.167 1.864 4.679 1.00 0.00 C ATOM 183 C LEU A 11 1.943 2.907 5.451 1.00 0.00 C ATOM 184 O LEU A 11 1.365 3.816 6.047 1.00 0.00 O ATOM 185 CB LEU A 11 0.731 2.435 3.320 1.00 0.00 C ATOM 186 CG LEU A 11 0.261 1.422 2.268 1.00 0.00 C ATOM 187 CD1 LEU A 11 1.272 0.299 2.107 1.00 0.00 C ATOM 188 CD2 LEU A 11 -1.110 0.869 2.611 1.00 0.00 C ATOM 0 H LEU A 11 -0.819 1.969 5.317 1.00 0.00 H new ATOM 0 HA LEU A 11 1.799 0.997 4.487 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -0.077 3.146 3.493 1.00 0.00 H new ATOM 0 HB3 LEU A 11 1.567 2.997 2.903 1.00 0.00 H new ATOM 0 HG LEU A 11 0.180 1.946 1.316 1.00 0.00 H new ATOM 0 HD11 LEU A 11 0.916 -0.406 1.356 1.00 0.00 H new ATOM 0 HD12 LEU A 11 2.229 0.714 1.791 1.00 0.00 H new ATOM 0 HD13 LEU A 11 1.397 -0.217 3.059 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -1.416 0.154 1.847 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -1.069 0.370 3.579 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -1.831 1.685 2.653 1.00 0.00 H new ATOM 200 N ARG A 12 3.243 2.746 5.464 1.00 0.00 N ATOM 201 CA ARG A 12 4.116 3.727 6.098 1.00 0.00 C ATOM 202 C ARG A 12 5.408 3.860 5.311 1.00 0.00 C ATOM 203 O ARG A 12 6.071 2.858 5.036 1.00 0.00 O ATOM 204 CB ARG A 12 4.437 3.317 7.519 1.00 0.00 C ATOM 205 CG ARG A 12 5.175 4.409 8.242 1.00 0.00 C ATOM 206 CD ARG A 12 4.824 4.433 9.700 1.00 0.00 C ATOM 207 NE ARG A 12 5.506 3.375 10.443 1.00 0.00 N ATOM 208 CZ ARG A 12 5.709 3.394 11.759 1.00 0.00 C ATOM 209 NH1 ARG A 12 5.388 4.465 12.475 1.00 0.00 N ATOM 210 NH2 ARG A 12 6.272 2.345 12.347 1.00 0.00 N ATOM 0 H ARG A 12 3.727 1.951 5.047 1.00 0.00 H new ATOM 0 HA ARG A 12 3.596 4.685 6.114 1.00 0.00 H new ATOM 0 HB2 ARG A 12 3.515 3.083 8.051 1.00 0.00 H new ATOM 0 HB3 ARG A 12 5.040 2.409 7.512 1.00 0.00 H new ATOM 0 HG2 ARG A 12 6.249 4.263 8.127 1.00 0.00 H new ATOM 0 HG3 ARG A 12 4.935 5.372 7.792 1.00 0.00 H new ATOM 0 HD2 ARG A 12 5.091 5.402 10.122 1.00 0.00 H new ATOM 0 HD3 ARG A 12 3.746 4.321 9.816 1.00 0.00 H new ATOM 0 HE ARG A 12 5.849 2.570 9.919 1.00 0.00 H new ATOM 0 HH11 ARG A 12 4.983 5.282 12.018 1.00 0.00 H new ATOM 0 HH12 ARG A 12 5.547 4.471 13.483 1.00 0.00 H new ATOM 0 HH21 ARG A 12 6.545 1.534 11.791 1.00 0.00 H new ATOM 0 HH22 ARG A 12 6.432 2.350 13.354 1.00 0.00 H new ATOM 224 N LEU A 13 5.774 5.077 4.924 1.00 0.00 N ATOM 225 CA LEU A 13 7.063 5.211 4.288 1.00 0.00 C ATOM 226 C LEU A 13 8.124 5.494 5.340 1.00 0.00 C ATOM 227 O LEU A 13 8.120 6.532 6.006 1.00 0.00 O ATOM 228 CB LEU A 13 7.090 6.213 3.112 1.00 0.00 C ATOM 229 CG LEU A 13 6.550 7.636 3.310 1.00 0.00 C ATOM 230 CD1 LEU A 13 7.084 8.489 2.186 1.00 0.00 C ATOM 231 CD2 LEU A 13 5.027 7.682 3.263 1.00 0.00 C ATOM 0 H LEU A 13 5.230 5.933 5.033 1.00 0.00 H new ATOM 0 HA LEU A 13 7.291 4.258 3.811 1.00 0.00 H new ATOM 0 HB2 LEU A 13 8.126 6.301 2.783 1.00 0.00 H new ATOM 0 HB3 LEU A 13 6.532 5.765 2.290 1.00 0.00 H new ATOM 0 HG LEU A 13 6.867 7.995 4.289 1.00 0.00 H new ATOM 0 HD11 LEU A 13 6.717 9.509 2.298 1.00 0.00 H new ATOM 0 HD12 LEU A 13 8.174 8.489 2.216 1.00 0.00 H new ATOM 0 HD13 LEU A 13 6.747 8.085 1.231 1.00 0.00 H new ATOM 0 HD21 LEU A 13 4.689 8.708 3.408 1.00 0.00 H new ATOM 0 HD22 LEU A 13 4.682 7.319 2.295 1.00 0.00 H new ATOM 0 HD23 LEU A 13 4.619 7.051 4.053 1.00 0.00 H new ATOM 243 N ALA A 14 9.009 4.515 5.483 1.00 0.00 N ATOM 244 CA ALA A 14 9.990 4.449 6.571 1.00 0.00 C ATOM 245 C ALA A 14 10.939 5.646 6.617 1.00 0.00 C ATOM 246 O ALA A 14 11.715 5.785 7.565 1.00 0.00 O ATOM 247 CB ALA A 14 10.784 3.156 6.461 1.00 0.00 C ATOM 0 H ALA A 14 9.070 3.728 4.837 1.00 0.00 H new ATOM 0 HA ALA A 14 9.426 4.475 7.504 1.00 0.00 H new ATOM 0 HB1 ALA A 14 11.513 3.107 7.270 1.00 0.00 H new ATOM 0 HB2 ALA A 14 10.106 2.306 6.532 1.00 0.00 H new ATOM 0 HB3 ALA A 14 11.303 3.128 5.503 1.00 0.00 H new ATOM 253 N ASP A 15 10.885 6.501 5.606 1.00 0.00 N ATOM 254 CA ASP A 15 11.666 7.733 5.638 1.00 0.00 C ATOM 255 C ASP A 15 11.211 8.631 6.790 1.00 0.00 C ATOM 256 O ASP A 15 11.887 9.591 7.155 1.00 0.00 O ATOM 257 CB ASP A 15 11.548 8.482 4.310 1.00 0.00 C ATOM 258 CG ASP A 15 12.543 9.622 4.212 1.00 0.00 C ATOM 259 OD1 ASP A 15 13.672 9.477 4.735 1.00 0.00 O ATOM 260 OD2 ASP A 15 12.215 10.654 3.593 1.00 0.00 O ATOM 0 H ASP A 15 10.320 6.370 4.767 1.00 0.00 H new ATOM 0 HA ASP A 15 12.711 7.466 5.796 1.00 0.00 H new ATOM 0 HB2 ASP A 15 11.710 7.787 3.486 1.00 0.00 H new ATOM 0 HB3 ASP A 15 10.536 8.873 4.203 1.00 0.00 H new ATOM 265 N GLY A 16 10.058 8.304 7.355 1.00 0.00 N ATOM 266 CA GLY A 16 9.575 9.051 8.496 1.00 0.00 C ATOM 267 C GLY A 16 8.299 9.769 8.159 1.00 0.00 C ATOM 268 O GLY A 16 7.973 10.802 8.740 1.00 0.00 O ATOM 0 H GLY A 16 9.454 7.542 7.047 1.00 0.00 H new ATOM 0 HA2 GLY A 16 9.407 8.375 9.335 1.00 0.00 H new ATOM 0 HA3 GLY A 16 10.330 9.770 8.812 1.00 0.00 H new ATOM 272 N SER A 17 7.571 9.197 7.217 1.00 0.00 N ATOM 273 CA SER A 17 6.378 9.822 6.707 1.00 0.00 C ATOM 274 C SER A 17 5.312 8.777 6.440 1.00 0.00 C ATOM 275 O SER A 17 5.579 7.572 6.494 1.00 0.00 O ATOM 276 CB SER A 17 6.711 10.588 5.430 1.00 0.00 C ATOM 277 OG SER A 17 7.573 11.681 5.699 1.00 0.00 O ATOM 0 H SER A 17 7.792 8.296 6.792 1.00 0.00 H new ATOM 0 HA SER A 17 5.991 10.521 7.448 1.00 0.00 H new ATOM 0 HB2 SER A 17 7.183 9.917 4.713 1.00 0.00 H new ATOM 0 HB3 SER A 17 5.792 10.951 4.970 1.00 0.00 H new ATOM 0 HG SER A 17 7.772 12.154 4.864 1.00 0.00 H new ATOM 283 N GLN A 18 4.111 9.229 6.152 1.00 0.00 N ATOM 284 CA GLN A 18 3.004 8.326 5.943 1.00 0.00 C ATOM 285 C GLN A 18 2.442 8.452 4.563 1.00 0.00 C ATOM 286 O GLN A 18 2.394 9.545 4.003 1.00 0.00 O ATOM 287 CB GLN A 18 1.884 8.644 6.893 1.00 0.00 C ATOM 288 CG GLN A 18 1.453 7.457 7.725 1.00 0.00 C ATOM 289 CD GLN A 18 0.459 7.815 8.815 1.00 0.00 C ATOM 290 OE1 GLN A 18 0.553 9.029 9.338 1.00 0.00 O flip ATOM 291 NE2 GLN A 18 -0.376 6.997 9.202 1.00 0.00 N flip ATOM 0 H GLN A 18 3.878 10.217 6.057 1.00 0.00 H new ATOM 0 HA GLN A 18 3.391 7.320 6.102 1.00 0.00 H new ATOM 0 HB2 GLN A 18 2.197 9.450 7.557 1.00 0.00 H new ATOM 0 HB3 GLN A 18 1.029 9.012 6.326 1.00 0.00 H new ATOM 0 HG2 GLN A 18 1.009 6.706 7.071 1.00 0.00 H new ATOM 0 HG3 GLN A 18 2.333 7.003 8.181 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -0.419 6.071 8.776 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -1.025 7.245 9.949 1.00 0.00 H new ATOM 300 N PRO A 19 2.040 7.332 3.976 1.00 0.00 N ATOM 301 CA PRO A 19 1.077 7.368 2.927 1.00 0.00 C ATOM 302 C PRO A 19 -0.232 7.620 3.610 1.00 0.00 C ATOM 303 O PRO A 19 -0.756 6.755 4.305 1.00 0.00 O ATOM 304 CB PRO A 19 1.140 5.975 2.289 1.00 0.00 C ATOM 305 CG PRO A 19 2.301 5.299 2.942 1.00 0.00 C ATOM 306 CD PRO A 19 2.474 5.974 4.271 1.00 0.00 C ATOM 0 HA PRO A 19 1.232 8.125 2.159 1.00 0.00 H new ATOM 0 HB2 PRO A 19 0.216 5.422 2.458 1.00 0.00 H new ATOM 0 HB3 PRO A 19 1.279 6.042 1.210 1.00 0.00 H new ATOM 0 HG2 PRO A 19 2.113 4.233 3.067 1.00 0.00 H new ATOM 0 HG3 PRO A 19 3.201 5.395 2.335 1.00 0.00 H new ATOM 0 HD2 PRO A 19 1.865 5.510 5.047 1.00 0.00 H new ATOM 0 HD3 PRO A 19 3.508 5.941 4.614 1.00 0.00 H new ATOM 314 N PRO A 20 -0.725 8.835 3.489 1.00 0.00 N ATOM 315 CA PRO A 20 -1.768 9.342 4.328 1.00 0.00 C ATOM 316 C PRO A 20 -3.105 9.420 3.601 1.00 0.00 C ATOM 317 O PRO A 20 -3.247 8.855 2.527 1.00 0.00 O ATOM 318 CB PRO A 20 -1.159 10.703 4.622 1.00 0.00 C ATOM 319 CG PRO A 20 -0.653 11.143 3.296 1.00 0.00 C ATOM 320 CD PRO A 20 -0.271 9.878 2.565 1.00 0.00 C ATOM 0 HA PRO A 20 -2.022 8.745 5.204 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -1.899 11.397 5.021 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -0.357 10.635 5.357 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -1.417 11.696 2.749 1.00 0.00 H new ATOM 0 HG3 PRO A 20 0.205 11.807 3.405 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -0.763 9.804 1.595 1.00 0.00 H new ATOM 0 HD3 PRO A 20 0.802 9.821 2.383 1.00 0.00 H new ATOM 328 N PHE A 21 -4.056 10.134 4.186 1.00 0.00 N ATOM 329 CA PHE A 21 -5.446 10.153 3.736 1.00 0.00 C ATOM 330 C PHE A 21 -5.587 10.212 2.201 1.00 0.00 C ATOM 331 O PHE A 21 -5.443 11.272 1.586 1.00 0.00 O ATOM 332 CB PHE A 21 -6.122 11.343 4.386 1.00 0.00 C ATOM 333 CG PHE A 21 -7.607 11.207 4.571 1.00 0.00 C ATOM 334 CD1 PHE A 21 -8.451 11.008 3.490 1.00 0.00 C ATOM 335 CD2 PHE A 21 -8.158 11.282 5.840 1.00 0.00 C ATOM 336 CE1 PHE A 21 -9.813 10.889 3.673 1.00 0.00 C ATOM 337 CE2 PHE A 21 -9.519 11.163 6.026 1.00 0.00 C ATOM 338 CZ PHE A 21 -10.348 10.966 4.943 1.00 0.00 C ATOM 0 H PHE A 21 -3.884 10.726 4.999 1.00 0.00 H new ATOM 0 HA PHE A 21 -5.923 9.219 4.033 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -5.664 11.515 5.360 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -5.926 12.228 3.781 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -8.038 10.945 2.494 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -7.514 11.435 6.693 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -10.461 10.736 2.823 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -9.935 11.224 7.021 1.00 0.00 H new ATOM 0 HZ PHE A 21 -11.414 10.872 5.088 1.00 0.00 H new ATOM 348 N GLY A 22 -5.852 9.050 1.606 1.00 0.00 N ATOM 349 CA GLY A 22 -6.038 8.954 0.184 1.00 0.00 C ATOM 350 C GLY A 22 -4.844 8.320 -0.475 1.00 0.00 C ATOM 351 O GLY A 22 -4.597 8.548 -1.656 1.00 0.00 O ATOM 0 H GLY A 22 -5.941 8.164 2.103 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -6.931 8.367 -0.031 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -6.203 9.948 -0.233 1.00 0.00 H new ATOM 355 N ALA A 23 -4.075 7.550 0.305 1.00 0.00 N ATOM 356 CA ALA A 23 -2.918 6.888 -0.261 1.00 0.00 C ATOM 357 C ALA A 23 -3.336 5.874 -1.288 1.00 0.00 C ATOM 358 O ALA A 23 -3.615 4.720 -0.968 1.00 0.00 O ATOM 359 CB ALA A 23 -2.050 6.243 0.782 1.00 0.00 C ATOM 0 H ALA A 23 -4.234 7.380 1.298 1.00 0.00 H new ATOM 0 HA ALA A 23 -2.320 7.662 -0.742 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -1.199 5.762 0.300 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -1.692 7.002 1.478 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -2.628 5.496 1.326 1.00 0.00 H new ATOM 365 N SER A 24 -3.427 6.363 -2.501 1.00 0.00 N ATOM 366 CA SER A 24 -3.781 5.570 -3.659 1.00 0.00 C ATOM 367 C SER A 24 -2.670 4.608 -4.039 1.00 0.00 C ATOM 368 O SER A 24 -1.823 4.942 -4.857 1.00 0.00 O ATOM 369 CB SER A 24 -4.048 6.520 -4.828 1.00 0.00 C ATOM 370 OG SER A 24 -5.427 6.832 -4.939 1.00 0.00 O ATOM 0 H SER A 24 -3.254 7.344 -2.718 1.00 0.00 H new ATOM 0 HA SER A 24 -4.666 4.979 -3.422 1.00 0.00 H new ATOM 0 HB2 SER A 24 -3.476 7.438 -4.690 1.00 0.00 H new ATOM 0 HB3 SER A 24 -3.701 6.064 -5.755 1.00 0.00 H new ATOM 0 HG SER A 24 -5.565 7.442 -5.694 1.00 0.00 H new ATOM 376 N VAL A 25 -2.665 3.418 -3.458 1.00 0.00 N ATOM 377 CA VAL A 25 -1.641 2.472 -3.828 1.00 0.00 C ATOM 378 C VAL A 25 -2.030 1.753 -5.108 1.00 0.00 C ATOM 379 O VAL A 25 -3.025 1.023 -5.155 1.00 0.00 O ATOM 380 CB VAL A 25 -1.260 1.481 -2.688 1.00 0.00 C ATOM 381 CG1 VAL A 25 -1.083 2.211 -1.371 1.00 0.00 C ATOM 382 CG2 VAL A 25 -2.239 0.349 -2.504 1.00 0.00 C ATOM 0 H VAL A 25 -3.333 3.099 -2.756 1.00 0.00 H new ATOM 0 HA VAL A 25 -0.731 3.044 -4.011 1.00 0.00 H new ATOM 0 HB VAL A 25 -0.316 1.035 -3.002 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -0.817 1.497 -0.592 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -0.290 2.952 -1.470 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -2.014 2.710 -1.104 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -1.902 -0.295 -1.692 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -3.222 0.754 -2.262 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -2.302 -0.231 -3.425 1.00 0.00 H new ATOM 392 N THR A 26 -1.277 2.029 -6.169 1.00 0.00 N ATOM 393 CA THR A 26 -1.552 1.438 -7.462 1.00 0.00 C ATOM 394 C THR A 26 -0.253 1.073 -8.145 1.00 0.00 C ATOM 395 O THR A 26 0.594 1.912 -8.386 1.00 0.00 O ATOM 396 CB THR A 26 -2.406 2.363 -8.365 1.00 0.00 C ATOM 397 OG1 THR A 26 -2.256 2.010 -9.738 1.00 0.00 O ATOM 398 CG2 THR A 26 -2.058 3.829 -8.175 1.00 0.00 C ATOM 0 H THR A 26 -0.474 2.658 -6.153 1.00 0.00 H new ATOM 0 HA THR A 26 -2.140 0.536 -7.295 1.00 0.00 H new ATOM 0 HB THR A 26 -3.445 2.222 -8.066 1.00 0.00 H new ATOM 0 HG1 THR A 26 -2.212 2.824 -10.282 1.00 0.00 H new ATOM 0 HG21 THR A 26 -2.682 4.439 -8.828 1.00 0.00 H new ATOM 0 HG22 THR A 26 -2.233 4.113 -7.137 1.00 0.00 H new ATOM 0 HG23 THR A 26 -1.009 3.989 -8.423 1.00 0.00 H new ATOM 406 N SER A 27 -0.106 -0.187 -8.459 1.00 0.00 N ATOM 407 CA SER A 27 1.192 -0.663 -8.873 1.00 0.00 C ATOM 408 C SER A 27 1.404 -0.424 -10.364 1.00 0.00 C ATOM 409 O SER A 27 0.578 0.214 -10.996 1.00 0.00 O ATOM 410 CB SER A 27 1.346 -2.133 -8.500 1.00 0.00 C ATOM 411 OG SER A 27 1.400 -2.297 -7.101 1.00 0.00 O ATOM 0 H SER A 27 -0.846 -0.888 -8.438 1.00 0.00 H new ATOM 0 HA SER A 27 1.966 -0.102 -8.349 1.00 0.00 H new ATOM 0 HB2 SER A 27 0.510 -2.704 -8.904 1.00 0.00 H new ATOM 0 HB3 SER A 27 2.254 -2.533 -8.952 1.00 0.00 H new ATOM 0 HG SER A 27 1.946 -3.082 -6.884 1.00 0.00 H new ATOM 417 N GLU A 28 2.499 -0.972 -10.893 1.00 0.00 N ATOM 418 CA GLU A 28 3.014 -0.684 -12.246 1.00 0.00 C ATOM 419 C GLU A 28 1.966 -0.170 -13.248 1.00 0.00 C ATOM 420 O GLU A 28 2.019 0.984 -13.669 1.00 0.00 O ATOM 421 CB GLU A 28 3.669 -1.946 -12.799 1.00 0.00 C ATOM 422 CG GLU A 28 4.568 -1.702 -13.996 1.00 0.00 C ATOM 423 CD GLU A 28 5.243 -2.970 -14.465 1.00 0.00 C ATOM 424 OE1 GLU A 28 6.127 -3.480 -13.744 1.00 0.00 O ATOM 425 OE2 GLU A 28 4.892 -3.464 -15.555 1.00 0.00 O ATOM 0 H GLU A 28 3.072 -1.646 -10.385 1.00 0.00 H new ATOM 0 HA GLU A 28 3.727 0.133 -12.131 1.00 0.00 H new ATOM 0 HB2 GLU A 28 4.254 -2.415 -12.008 1.00 0.00 H new ATOM 0 HB3 GLU A 28 2.889 -2.653 -13.082 1.00 0.00 H new ATOM 0 HG2 GLU A 28 3.980 -1.282 -14.812 1.00 0.00 H new ATOM 0 HG3 GLU A 28 5.326 -0.963 -13.736 1.00 0.00 H new ATOM 432 N LYS A 29 1.019 -1.021 -13.633 1.00 0.00 N ATOM 433 CA LYS A 29 0.103 -0.675 -14.722 1.00 0.00 C ATOM 434 C LYS A 29 -1.146 0.065 -14.232 1.00 0.00 C ATOM 435 O LYS A 29 -1.947 0.543 -15.033 1.00 0.00 O ATOM 436 CB LYS A 29 -0.304 -1.940 -15.483 1.00 0.00 C ATOM 437 CG LYS A 29 -1.004 -2.978 -14.617 1.00 0.00 C ATOM 438 CD LYS A 29 -1.341 -4.234 -15.407 1.00 0.00 C ATOM 439 CE LYS A 29 -2.323 -3.950 -16.533 1.00 0.00 C ATOM 440 NZ LYS A 29 -2.619 -5.169 -17.327 1.00 0.00 N ATOM 0 H LYS A 29 0.865 -1.940 -13.218 1.00 0.00 H new ATOM 0 HA LYS A 29 0.637 0.004 -15.386 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -0.963 -1.662 -16.305 1.00 0.00 H new ATOM 0 HB3 LYS A 29 0.585 -2.389 -15.925 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -0.365 -3.239 -13.773 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -1.918 -2.551 -14.204 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -0.427 -4.658 -15.821 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -1.764 -4.982 -14.736 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -3.249 -3.554 -16.116 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -1.913 -3.181 -17.187 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -3.292 -4.935 -18.085 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -1.739 -5.533 -17.745 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -3.034 -5.894 -16.708 1.00 0.00 H new ATOM 454 N GLY A 30 -1.304 0.164 -12.926 1.00 0.00 N ATOM 455 CA GLY A 30 -2.469 0.790 -12.371 1.00 0.00 C ATOM 456 C GLY A 30 -3.258 -0.235 -11.637 1.00 0.00 C ATOM 457 O GLY A 30 -4.489 -0.249 -11.664 1.00 0.00 O ATOM 0 H GLY A 30 -0.636 -0.183 -12.238 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -2.180 1.597 -11.698 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -3.072 1.235 -13.162 1.00 0.00 H new ATOM 461 N ARG A 31 -2.521 -1.134 -11.020 1.00 0.00 N ATOM 462 CA ARG A 31 -3.140 -2.112 -10.179 1.00 0.00 C ATOM 463 C ARG A 31 -3.512 -1.412 -8.892 1.00 0.00 C ATOM 464 O ARG A 31 -2.656 -1.152 -8.066 1.00 0.00 O ATOM 465 CB ARG A 31 -2.178 -3.277 -9.932 1.00 0.00 C ATOM 466 CG ARG A 31 -1.825 -4.035 -11.202 1.00 0.00 C ATOM 467 CD ARG A 31 -0.700 -5.032 -10.981 1.00 0.00 C ATOM 468 NE ARG A 31 -1.115 -6.182 -10.181 1.00 0.00 N ATOM 469 CZ ARG A 31 -0.291 -6.859 -9.380 1.00 0.00 C ATOM 470 NH1 ARG A 31 0.959 -6.446 -9.223 1.00 0.00 N ATOM 471 NH2 ARG A 31 -0.718 -7.934 -8.728 1.00 0.00 N ATOM 0 H ARG A 31 -1.506 -1.201 -11.089 1.00 0.00 H new ATOM 0 HA ARG A 31 -4.031 -2.534 -10.644 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -1.264 -2.896 -9.477 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -2.627 -3.966 -9.217 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -2.708 -4.561 -11.567 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -1.533 -3.326 -11.977 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -0.333 -5.380 -11.947 1.00 0.00 H new ATOM 0 HD3 ARG A 31 0.132 -4.531 -10.486 1.00 0.00 H new ATOM 0 HE ARG A 31 -2.088 -6.483 -10.238 1.00 0.00 H new ATOM 0 HH11 ARG A 31 1.287 -5.614 -9.714 1.00 0.00 H new ATOM 0 HH12 ARG A 31 1.593 -6.960 -8.612 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -1.682 -8.248 -8.838 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -0.082 -8.446 -8.117 1.00 0.00 H new ATOM 485 N GLU A 32 -4.765 -1.041 -8.755 1.00 0.00 N ATOM 486 CA GLU A 32 -5.130 -0.167 -7.668 1.00 0.00 C ATOM 487 C GLU A 32 -5.552 -0.986 -6.460 1.00 0.00 C ATOM 488 O GLU A 32 -6.693 -1.439 -6.363 1.00 0.00 O ATOM 489 CB GLU A 32 -6.223 0.794 -8.128 1.00 0.00 C ATOM 490 CG GLU A 32 -5.922 1.402 -9.493 1.00 0.00 C ATOM 491 CD GLU A 32 -6.814 2.579 -9.826 1.00 0.00 C ATOM 492 OE1 GLU A 32 -6.893 3.524 -9.015 1.00 0.00 O ATOM 493 OE2 GLU A 32 -7.454 2.560 -10.901 1.00 0.00 O ATOM 0 H GLU A 32 -5.531 -1.323 -9.367 1.00 0.00 H new ATOM 0 HA GLU A 32 -4.270 0.431 -7.366 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -7.175 0.265 -8.170 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -6.335 1.592 -7.394 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -4.881 1.723 -9.520 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -6.039 0.636 -10.260 1.00 0.00 H new ATOM 500 N LEU A 33 -4.604 -1.196 -5.557 1.00 0.00 N ATOM 501 CA LEU A 33 -4.790 -2.124 -4.451 1.00 0.00 C ATOM 502 C LEU A 33 -4.933 -1.425 -3.122 1.00 0.00 C ATOM 503 O LEU A 33 -4.986 -2.104 -2.094 1.00 0.00 O ATOM 504 CB LEU A 33 -3.609 -3.068 -4.300 1.00 0.00 C ATOM 505 CG LEU A 33 -3.181 -3.901 -5.521 1.00 0.00 C ATOM 506 CD1 LEU A 33 -4.336 -4.166 -6.477 1.00 0.00 C ATOM 507 CD2 LEU A 33 -2.038 -3.218 -6.236 1.00 0.00 C ATOM 0 H LEU A 33 -3.695 -0.734 -5.569 1.00 0.00 H new ATOM 0 HA LEU A 33 -5.703 -2.665 -4.700 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -2.750 -2.477 -3.983 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -3.838 -3.760 -3.489 1.00 0.00 H new ATOM 0 HG LEU A 33 -2.848 -4.873 -5.156 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -3.981 -4.757 -7.321 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -5.122 -4.713 -5.956 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -4.733 -3.218 -6.839 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -1.741 -3.814 -7.099 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -2.356 -2.230 -6.569 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -1.192 -3.117 -5.556 1.00 0.00 H new ATOM 519 N GLY A 34 -4.965 -0.095 -3.129 1.00 0.00 N ATOM 520 CA GLY A 34 -5.176 0.620 -1.865 1.00 0.00 C ATOM 521 C GLY A 34 -5.509 2.090 -2.025 1.00 0.00 C ATOM 522 O GLY A 34 -5.217 2.692 -3.046 1.00 0.00 O ATOM 0 H GLY A 34 -4.853 0.493 -3.955 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -5.984 0.134 -1.318 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -4.277 0.528 -1.255 1.00 0.00 H new ATOM 526 N MET A 35 -6.196 2.627 -1.022 1.00 0.00 N ATOM 527 CA MET A 35 -6.338 4.072 -0.812 1.00 0.00 C ATOM 528 C MET A 35 -6.479 4.294 0.670 1.00 0.00 C ATOM 529 O MET A 35 -7.558 4.080 1.221 1.00 0.00 O ATOM 530 CB MET A 35 -7.565 4.667 -1.500 1.00 0.00 C ATOM 531 CG MET A 35 -7.687 4.284 -2.947 1.00 0.00 C ATOM 532 SD MET A 35 -9.325 4.597 -3.629 1.00 0.00 S ATOM 533 CE MET A 35 -9.084 4.086 -5.330 1.00 0.00 C ATOM 0 H MET A 35 -6.678 2.067 -0.320 1.00 0.00 H new ATOM 0 HA MET A 35 -5.463 4.562 -1.240 1.00 0.00 H new ATOM 0 HB2 MET A 35 -8.461 4.343 -0.970 1.00 0.00 H new ATOM 0 HB3 MET A 35 -7.524 5.753 -1.422 1.00 0.00 H new ATOM 0 HG2 MET A 35 -6.948 4.837 -3.526 1.00 0.00 H new ATOM 0 HG3 MET A 35 -7.451 3.226 -3.057 1.00 0.00 H new ATOM 0 HE1 MET A 35 -10.012 4.220 -5.885 1.00 0.00 H new ATOM 0 HE2 MET A 35 -8.299 4.691 -5.784 1.00 0.00 H new ATOM 0 HE3 MET A 35 -8.794 3.036 -5.357 1.00 0.00 H new ATOM 543 N VAL A 36 -5.403 4.676 1.329 1.00 0.00 N ATOM 544 CA VAL A 36 -5.430 4.669 2.785 1.00 0.00 C ATOM 545 C VAL A 36 -6.310 5.804 3.329 1.00 0.00 C ATOM 546 O VAL A 36 -5.967 6.973 3.262 1.00 0.00 O ATOM 547 CB VAL A 36 -4.009 4.687 3.416 1.00 0.00 C ATOM 548 CG1 VAL A 36 -3.058 3.776 2.658 1.00 0.00 C ATOM 549 CG2 VAL A 36 -3.434 6.076 3.572 1.00 0.00 C ATOM 0 H VAL A 36 -4.529 4.985 0.904 1.00 0.00 H new ATOM 0 HA VAL A 36 -5.880 3.723 3.085 1.00 0.00 H new ATOM 0 HB VAL A 36 -4.126 4.298 4.428 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -2.073 3.810 3.123 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -3.436 2.754 2.683 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -2.982 4.109 1.623 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -2.442 6.011 4.018 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -3.362 6.552 2.594 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -4.084 6.668 4.216 1.00 0.00 H new ATOM 559 N ALA A 37 -7.476 5.463 3.833 1.00 0.00 N ATOM 560 CA ALA A 37 -8.352 6.507 4.327 1.00 0.00 C ATOM 561 C ALA A 37 -8.192 6.663 5.826 1.00 0.00 C ATOM 562 O ALA A 37 -8.394 5.709 6.582 1.00 0.00 O ATOM 563 CB ALA A 37 -9.799 6.240 3.951 1.00 0.00 C ATOM 0 H ALA A 37 -7.832 4.510 3.911 1.00 0.00 H new ATOM 0 HA ALA A 37 -8.065 7.445 3.853 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -10.429 7.042 4.337 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -9.891 6.197 2.866 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -10.117 5.290 4.380 1.00 0.00 H new ATOM 569 N ASP A 38 -7.807 7.873 6.229 1.00 0.00 N ATOM 570 CA ASP A 38 -7.554 8.211 7.628 1.00 0.00 C ATOM 571 C ASP A 38 -6.283 7.534 8.132 1.00 0.00 C ATOM 572 O ASP A 38 -6.166 6.303 8.126 1.00 0.00 O ATOM 573 CB ASP A 38 -8.756 7.851 8.517 1.00 0.00 C ATOM 574 CG ASP A 38 -8.500 8.103 9.990 1.00 0.00 C ATOM 575 OD1 ASP A 38 -8.089 9.223 10.345 1.00 0.00 O ATOM 576 OD2 ASP A 38 -8.728 7.180 10.802 1.00 0.00 O ATOM 0 H ASP A 38 -7.661 8.653 5.588 1.00 0.00 H new ATOM 0 HA ASP A 38 -7.410 9.290 7.686 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -9.622 8.432 8.200 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -9.006 6.800 8.372 1.00 0.00 H new ATOM 581 N GLU A 39 -5.330 8.361 8.553 1.00 0.00 N ATOM 582 CA GLU A 39 -4.037 7.901 9.046 1.00 0.00 C ATOM 583 C GLU A 39 -3.218 7.251 7.933 1.00 0.00 C ATOM 584 O GLU A 39 -2.610 7.948 7.122 1.00 0.00 O ATOM 585 CB GLU A 39 -4.214 6.950 10.231 1.00 0.00 C ATOM 586 CG GLU A 39 -4.913 7.594 11.417 1.00 0.00 C ATOM 587 CD GLU A 39 -4.048 8.622 12.111 1.00 0.00 C ATOM 588 OE1 GLU A 39 -3.889 9.740 11.574 1.00 0.00 O ATOM 589 OE2 GLU A 39 -3.522 8.321 13.204 1.00 0.00 O ATOM 0 H GLU A 39 -5.435 9.376 8.561 1.00 0.00 H new ATOM 0 HA GLU A 39 -3.482 8.772 9.394 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -4.787 6.081 9.908 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -3.236 6.588 10.547 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -5.834 8.068 11.078 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -5.197 6.821 12.131 1.00 0.00 H new ATOM 596 N GLY A 40 -3.228 5.928 7.875 1.00 0.00 N ATOM 597 CA GLY A 40 -2.423 5.233 6.893 1.00 0.00 C ATOM 598 C GLY A 40 -2.869 3.801 6.703 1.00 0.00 C ATOM 599 O GLY A 40 -2.051 2.885 6.707 1.00 0.00 O ATOM 0 H GLY A 40 -3.777 5.325 8.488 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -2.480 5.759 5.940 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -1.379 5.249 7.204 1.00 0.00 H new ATOM 603 N LEU A 41 -4.174 3.603 6.540 1.00 0.00 N ATOM 604 CA LEU A 41 -4.724 2.264 6.387 1.00 0.00 C ATOM 605 C LEU A 41 -5.722 2.231 5.228 1.00 0.00 C ATOM 606 O LEU A 41 -6.666 3.026 5.190 1.00 0.00 O ATOM 607 CB LEU A 41 -5.400 1.839 7.699 1.00 0.00 C ATOM 608 CG LEU A 41 -5.529 0.329 7.951 1.00 0.00 C ATOM 609 CD1 LEU A 41 -6.000 0.073 9.374 1.00 0.00 C ATOM 610 CD2 LEU A 41 -6.487 -0.321 6.966 1.00 0.00 C ATOM 0 H LEU A 41 -4.867 4.351 6.511 1.00 0.00 H new ATOM 0 HA LEU A 41 -3.920 1.564 6.160 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -4.841 2.276 8.527 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -6.399 2.275 7.724 1.00 0.00 H new ATOM 0 HG LEU A 41 -4.544 -0.116 7.809 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -6.088 -1.001 9.541 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -5.279 0.492 10.077 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -6.971 0.544 9.526 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -6.554 -1.389 7.174 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -7.474 0.131 7.066 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -6.121 -0.171 5.950 1.00 0.00 H new ATOM 622 N ALA A 42 -5.500 1.328 4.278 1.00 0.00 N ATOM 623 CA ALA A 42 -6.415 1.160 3.152 1.00 0.00 C ATOM 624 C ALA A 42 -7.107 -0.197 3.219 1.00 0.00 C ATOM 625 O ALA A 42 -6.453 -1.232 3.381 1.00 0.00 O ATOM 626 CB ALA A 42 -5.681 1.306 1.821 1.00 0.00 C ATOM 0 H ALA A 42 -4.695 0.701 4.265 1.00 0.00 H new ATOM 0 HA ALA A 42 -7.169 1.944 3.218 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -6.386 1.176 1.000 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -5.232 2.297 1.760 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -4.900 0.549 1.751 1.00 0.00 H new ATOM 632 N TRP A 43 -8.428 -0.185 3.110 1.00 0.00 N ATOM 633 CA TRP A 43 -9.203 -1.411 3.084 1.00 0.00 C ATOM 634 C TRP A 43 -9.356 -1.861 1.642 1.00 0.00 C ATOM 635 O TRP A 43 -10.386 -1.611 1.027 1.00 0.00 O ATOM 636 CB TRP A 43 -10.559 -1.111 3.629 1.00 0.00 C ATOM 637 CG TRP A 43 -10.407 -0.810 5.044 1.00 0.00 C ATOM 638 CD1 TRP A 43 -10.137 0.393 5.612 1.00 0.00 C ATOM 639 CD2 TRP A 43 -10.390 -1.772 6.069 1.00 0.00 C ATOM 640 NE1 TRP A 43 -9.934 0.227 6.946 1.00 0.00 N ATOM 641 CE2 TRP A 43 -10.093 -1.099 7.242 1.00 0.00 C ATOM 642 CE3 TRP A 43 -10.604 -3.149 6.106 1.00 0.00 C ATOM 643 CZ2 TRP A 43 -9.981 -1.744 8.431 1.00 0.00 C ATOM 644 CZ3 TRP A 43 -10.506 -3.795 7.315 1.00 0.00 C ATOM 645 CH2 TRP A 43 -10.185 -3.090 8.470 1.00 0.00 C ATOM 0 H TRP A 43 -8.985 0.666 3.038 1.00 0.00 H new ATOM 0 HA TRP A 43 -8.711 -2.187 3.670 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -11.005 -0.266 3.104 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -11.225 -1.962 3.488 1.00 0.00 H new ATOM 0 HD1 TRP A 43 -10.091 1.335 5.086 1.00 0.00 H new ATOM 0 HE1 TRP A 43 -9.703 0.964 7.612 1.00 0.00 H new ATOM 0 HE3 TRP A 43 -10.841 -3.696 5.205 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 -9.734 -1.199 9.330 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 -10.680 -4.860 7.369 1.00 0.00 H new ATOM 0 HH2 TRP A 43 -10.096 -3.616 9.409 1.00 0.00 H new ATOM 656 N LEU A 44 -8.372 -2.553 1.117 1.00 0.00 N ATOM 657 CA LEU A 44 -8.182 -2.609 -0.342 1.00 0.00 C ATOM 658 C LEU A 44 -7.659 -3.971 -0.744 1.00 0.00 C ATOM 659 O LEU A 44 -7.660 -4.853 0.063 1.00 0.00 O ATOM 660 CB LEU A 44 -7.288 -1.459 -0.795 1.00 0.00 C ATOM 661 CG LEU A 44 -7.971 -0.292 -1.573 1.00 0.00 C ATOM 662 CD1 LEU A 44 -7.816 -0.436 -3.082 1.00 0.00 C ATOM 663 CD2 LEU A 44 -9.429 -0.156 -1.239 1.00 0.00 C ATOM 0 H LEU A 44 -7.690 -3.085 1.658 1.00 0.00 H new ATOM 0 HA LEU A 44 -9.137 -2.480 -0.852 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -6.803 -1.040 0.087 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -6.500 -1.871 -1.426 1.00 0.00 H new ATOM 0 HG LEU A 44 -7.453 0.611 -1.250 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -8.308 0.400 -3.580 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -6.757 -0.440 -3.340 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -8.272 -1.371 -3.407 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -9.857 0.670 -1.807 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -9.949 -1.080 -1.495 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -9.541 0.040 -0.173 1.00 0.00 H new ATOM 675 N SER A 45 -7.249 -4.145 -1.976 1.00 0.00 N ATOM 676 CA SER A 45 -7.083 -5.484 -2.492 1.00 0.00 C ATOM 677 C SER A 45 -5.614 -5.666 -2.818 1.00 0.00 C ATOM 678 O SER A 45 -5.200 -5.464 -3.944 1.00 0.00 O ATOM 679 CB SER A 45 -7.966 -5.693 -3.728 1.00 0.00 C ATOM 680 OG SER A 45 -7.741 -4.689 -4.707 1.00 0.00 O ATOM 0 H SER A 45 -7.028 -3.394 -2.630 1.00 0.00 H new ATOM 0 HA SER A 45 -7.391 -6.227 -1.756 1.00 0.00 H new ATOM 0 HB2 SER A 45 -7.764 -6.674 -4.159 1.00 0.00 H new ATOM 0 HB3 SER A 45 -9.015 -5.685 -3.432 1.00 0.00 H new ATOM 0 HG SER A 45 -6.784 -4.481 -4.748 1.00 0.00 H new ATOM 686 N GLY A 46 -4.832 -6.056 -1.816 1.00 0.00 N ATOM 687 CA GLY A 46 -3.368 -5.895 -1.913 1.00 0.00 C ATOM 688 C GLY A 46 -2.674 -6.662 -3.035 1.00 0.00 C ATOM 689 O GLY A 46 -3.306 -7.339 -3.837 1.00 0.00 O ATOM 0 H GLY A 46 -5.165 -6.475 -0.948 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -3.148 -4.835 -2.037 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -2.927 -6.203 -0.965 1.00 0.00 H new ATOM 693 N VAL A 47 -1.348 -6.535 -3.072 1.00 0.00 N ATOM 694 CA VAL A 47 -0.515 -7.184 -4.087 1.00 0.00 C ATOM 695 C VAL A 47 0.209 -8.400 -3.530 1.00 0.00 C ATOM 696 O VAL A 47 0.092 -8.725 -2.347 1.00 0.00 O ATOM 697 CB VAL A 47 0.549 -6.237 -4.676 1.00 0.00 C ATOM 698 CG1 VAL A 47 0.078 -5.654 -5.993 1.00 0.00 C ATOM 699 CG2 VAL A 47 0.900 -5.132 -3.691 1.00 0.00 C ATOM 0 H VAL A 47 -0.820 -5.979 -2.399 1.00 0.00 H new ATOM 0 HA VAL A 47 -1.209 -7.483 -4.873 1.00 0.00 H new ATOM 0 HB VAL A 47 1.451 -6.819 -4.864 1.00 0.00 H new ATOM 0 HG11 VAL A 47 0.844 -4.989 -6.391 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -0.107 -6.461 -6.703 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -0.843 -5.093 -5.834 1.00 0.00 H new ATOM 0 HG21 VAL A 47 1.653 -4.478 -4.131 1.00 0.00 H new ATOM 0 HG22 VAL A 47 0.006 -4.553 -3.460 1.00 0.00 H new ATOM 0 HG23 VAL A 47 1.293 -5.573 -2.775 1.00 0.00 H new ATOM 709 N THR A 48 0.938 -9.079 -4.406 1.00 0.00 N ATOM 710 CA THR A 48 1.736 -10.221 -4.001 1.00 0.00 C ATOM 711 C THR A 48 3.074 -9.748 -3.424 1.00 0.00 C ATOM 712 O THR A 48 3.663 -8.791 -3.924 1.00 0.00 O ATOM 713 CB THR A 48 1.993 -11.151 -5.205 1.00 0.00 C ATOM 714 OG1 THR A 48 0.775 -11.340 -5.942 1.00 0.00 O ATOM 715 CG2 THR A 48 2.521 -12.506 -4.763 1.00 0.00 C ATOM 0 H THR A 48 0.991 -8.856 -5.400 1.00 0.00 H new ATOM 0 HA THR A 48 1.188 -10.773 -3.237 1.00 0.00 H new ATOM 0 HB THR A 48 2.746 -10.677 -5.835 1.00 0.00 H new ATOM 0 HG1 THR A 48 0.943 -11.930 -6.706 1.00 0.00 H new ATOM 0 HG21 THR A 48 2.690 -13.134 -5.638 1.00 0.00 H new ATOM 0 HG22 THR A 48 3.460 -12.373 -4.225 1.00 0.00 H new ATOM 0 HG23 THR A 48 1.792 -12.985 -4.109 1.00 0.00 H new ATOM 723 N PRO A 49 3.546 -10.385 -2.340 1.00 0.00 N ATOM 724 CA PRO A 49 4.849 -10.071 -1.736 1.00 0.00 C ATOM 725 C PRO A 49 5.997 -10.107 -2.748 1.00 0.00 C ATOM 726 O PRO A 49 6.249 -11.140 -3.375 1.00 0.00 O ATOM 727 CB PRO A 49 5.031 -11.183 -0.700 1.00 0.00 C ATOM 728 CG PRO A 49 3.650 -11.613 -0.354 1.00 0.00 C ATOM 729 CD PRO A 49 2.838 -11.448 -1.607 1.00 0.00 C ATOM 0 HA PRO A 49 4.867 -9.063 -1.323 1.00 0.00 H new ATOM 0 HB2 PRO A 49 5.612 -12.011 -1.107 1.00 0.00 H new ATOM 0 HB3 PRO A 49 5.564 -10.821 0.179 1.00 0.00 H new ATOM 0 HG2 PRO A 49 3.637 -12.649 -0.015 1.00 0.00 H new ATOM 0 HG3 PRO A 49 3.244 -11.007 0.456 1.00 0.00 H new ATOM 0 HD2 PRO A 49 2.796 -12.373 -2.183 1.00 0.00 H new ATOM 0 HD3 PRO A 49 1.809 -11.165 -1.384 1.00 0.00 H new ATOM 737 N GLY A 50 6.694 -8.986 -2.902 1.00 0.00 N ATOM 738 CA GLY A 50 7.811 -8.947 -3.827 1.00 0.00 C ATOM 739 C GLY A 50 7.611 -7.940 -4.943 1.00 0.00 C ATOM 740 O GLY A 50 8.015 -8.186 -6.081 1.00 0.00 O ATOM 0 H GLY A 50 6.508 -8.113 -2.409 1.00 0.00 H new ATOM 0 HA2 GLY A 50 8.722 -8.702 -3.281 1.00 0.00 H new ATOM 0 HA3 GLY A 50 7.955 -9.938 -4.258 1.00 0.00 H new ATOM 744 N GLU A 51 6.988 -6.804 -4.633 1.00 0.00 N ATOM 745 CA GLU A 51 6.656 -5.855 -5.700 1.00 0.00 C ATOM 746 C GLU A 51 6.919 -4.425 -5.293 1.00 0.00 C ATOM 747 O GLU A 51 7.666 -4.147 -4.357 1.00 0.00 O ATOM 748 CB GLU A 51 5.185 -5.943 -6.089 1.00 0.00 C ATOM 749 CG GLU A 51 4.750 -7.305 -6.550 1.00 0.00 C ATOM 750 CD GLU A 51 3.476 -7.259 -7.361 1.00 0.00 C ATOM 751 OE1 GLU A 51 3.498 -6.662 -8.459 1.00 0.00 O ATOM 752 OE2 GLU A 51 2.448 -7.821 -6.921 1.00 0.00 O ATOM 0 H GLU A 51 6.711 -6.523 -3.692 1.00 0.00 H new ATOM 0 HA GLU A 51 7.295 -6.129 -6.540 1.00 0.00 H new ATOM 0 HB2 GLU A 51 4.576 -5.650 -5.234 1.00 0.00 H new ATOM 0 HB3 GLU A 51 4.987 -5.223 -6.883 1.00 0.00 H new ATOM 0 HG2 GLU A 51 5.543 -7.753 -7.149 1.00 0.00 H new ATOM 0 HG3 GLU A 51 4.603 -7.949 -5.683 1.00 0.00 H new ATOM 759 N THR A 52 6.290 -3.521 -6.024 1.00 0.00 N ATOM 760 CA THR A 52 6.313 -2.128 -5.675 1.00 0.00 C ATOM 761 C THR A 52 4.957 -1.480 -5.974 1.00 0.00 C ATOM 762 O THR A 52 4.406 -1.662 -7.062 1.00 0.00 O ATOM 763 CB THR A 52 7.429 -1.378 -6.439 1.00 0.00 C ATOM 764 OG1 THR A 52 8.696 -2.002 -6.198 1.00 0.00 O ATOM 765 CG2 THR A 52 7.501 0.086 -6.027 1.00 0.00 C ATOM 0 H THR A 52 5.757 -3.738 -6.866 1.00 0.00 H new ATOM 0 HA THR A 52 6.518 -2.057 -4.607 1.00 0.00 H new ATOM 0 HB THR A 52 7.190 -1.425 -7.501 1.00 0.00 H new ATOM 0 HG1 THR A 52 9.085 -1.644 -5.373 1.00 0.00 H new ATOM 0 HG21 THR A 52 8.296 0.582 -6.584 1.00 0.00 H new ATOM 0 HG22 THR A 52 6.549 0.572 -6.243 1.00 0.00 H new ATOM 0 HG23 THR A 52 7.709 0.154 -4.959 1.00 0.00 H new ATOM 773 N LEU A 53 4.396 -0.761 -4.997 1.00 0.00 N ATOM 774 CA LEU A 53 3.183 0.005 -5.227 1.00 0.00 C ATOM 775 C LEU A 53 3.527 1.398 -5.735 1.00 0.00 C ATOM 776 O LEU A 53 4.595 1.908 -5.437 1.00 0.00 O ATOM 777 CB LEU A 53 2.389 0.113 -3.927 1.00 0.00 C ATOM 778 CG LEU A 53 1.614 -1.140 -3.538 1.00 0.00 C ATOM 779 CD1 LEU A 53 1.048 -1.032 -2.143 1.00 0.00 C ATOM 780 CD2 LEU A 53 0.484 -1.355 -4.514 1.00 0.00 C ATOM 0 H LEU A 53 4.765 -0.698 -4.048 1.00 0.00 H new ATOM 0 HA LEU A 53 2.581 -0.505 -5.979 1.00 0.00 H new ATOM 0 HB2 LEU A 53 3.077 0.362 -3.119 1.00 0.00 H new ATOM 0 HB3 LEU A 53 1.688 0.943 -4.015 1.00 0.00 H new ATOM 0 HG LEU A 53 2.305 -1.983 -3.563 1.00 0.00 H new ATOM 0 HD11 LEU A 53 0.502 -1.944 -1.900 1.00 0.00 H new ATOM 0 HD12 LEU A 53 1.861 -0.895 -1.430 1.00 0.00 H new ATOM 0 HD13 LEU A 53 0.372 -0.179 -2.090 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -0.071 -2.251 -4.236 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -0.184 -0.494 -4.493 1.00 0.00 H new ATOM 0 HD23 LEU A 53 0.889 -1.476 -5.519 1.00 0.00 H new ATOM 792 N SER A 54 2.639 1.997 -6.514 1.00 0.00 N ATOM 793 CA SER A 54 2.801 3.392 -6.882 1.00 0.00 C ATOM 794 C SER A 54 1.649 4.181 -6.301 1.00 0.00 C ATOM 795 O SER A 54 0.519 4.092 -6.752 1.00 0.00 O ATOM 796 CB SER A 54 2.907 3.577 -8.397 1.00 0.00 C ATOM 797 OG SER A 54 3.713 4.695 -8.721 1.00 0.00 O ATOM 0 H SER A 54 1.810 1.545 -6.899 1.00 0.00 H new ATOM 0 HA SER A 54 3.739 3.763 -6.470 1.00 0.00 H new ATOM 0 HB2 SER A 54 3.329 2.678 -8.847 1.00 0.00 H new ATOM 0 HB3 SER A 54 1.911 3.708 -8.821 1.00 0.00 H new ATOM 0 HG SER A 54 3.765 4.789 -9.695 1.00 0.00 H new ATOM 803 N VAL A 55 1.953 4.939 -5.281 1.00 0.00 N ATOM 804 CA VAL A 55 0.951 5.408 -4.364 1.00 0.00 C ATOM 805 C VAL A 55 0.755 6.919 -4.459 1.00 0.00 C ATOM 806 O VAL A 55 1.632 7.719 -4.083 1.00 0.00 O ATOM 807 CB VAL A 55 1.364 4.992 -2.949 1.00 0.00 C ATOM 808 CG1 VAL A 55 0.271 5.251 -1.932 1.00 0.00 C ATOM 809 CG2 VAL A 55 1.800 3.536 -2.948 1.00 0.00 C ATOM 0 H VAL A 55 2.901 5.248 -5.064 1.00 0.00 H new ATOM 0 HA VAL A 55 -0.009 4.960 -4.620 1.00 0.00 H new ATOM 0 HB VAL A 55 2.209 5.611 -2.647 1.00 0.00 H new ATOM 0 HG11 VAL A 55 0.612 4.940 -0.945 1.00 0.00 H new ATOM 0 HG12 VAL A 55 0.034 6.315 -1.915 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -0.620 4.685 -2.204 1.00 0.00 H new ATOM 0 HG21 VAL A 55 2.093 3.245 -1.939 1.00 0.00 H new ATOM 0 HG22 VAL A 55 0.973 2.908 -3.281 1.00 0.00 H new ATOM 0 HG23 VAL A 55 2.647 3.409 -3.623 1.00 0.00 H new ATOM 819 N ASN A 56 -0.396 7.295 -4.996 1.00 0.00 N ATOM 820 CA ASN A 56 -0.755 8.693 -5.137 1.00 0.00 C ATOM 821 C ASN A 56 -1.214 9.257 -3.817 1.00 0.00 C ATOM 822 O ASN A 56 -1.834 8.570 -3.005 1.00 0.00 O ATOM 823 CB ASN A 56 -1.858 8.892 -6.187 1.00 0.00 C ATOM 824 CG ASN A 56 -1.371 8.763 -7.614 1.00 0.00 C ATOM 825 OD1 ASN A 56 -0.935 9.743 -8.221 1.00 0.00 O ATOM 826 ND2 ASN A 56 -1.461 7.565 -8.161 1.00 0.00 N ATOM 0 H ASN A 56 -1.100 6.644 -5.343 1.00 0.00 H new ATOM 0 HA ASN A 56 0.137 9.223 -5.470 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -2.648 8.161 -6.015 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -2.302 9.878 -6.052 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -1.163 7.421 -9.126 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -1.829 6.783 -7.619 1.00 0.00 H new ATOM 833 N TRP A 57 -0.904 10.514 -3.627 1.00 0.00 N ATOM 834 CA TRP A 57 -1.167 11.182 -2.388 1.00 0.00 C ATOM 835 C TRP A 57 -1.408 12.674 -2.654 1.00 0.00 C ATOM 836 O TRP A 57 -0.945 13.200 -3.650 1.00 0.00 O ATOM 837 CB TRP A 57 0.004 10.840 -1.428 1.00 0.00 C ATOM 838 CG TRP A 57 0.294 11.799 -0.316 1.00 0.00 C ATOM 839 CD1 TRP A 57 -0.481 12.817 0.139 1.00 0.00 C ATOM 840 CD2 TRP A 57 1.461 11.805 0.505 1.00 0.00 C ATOM 841 NE1 TRP A 57 0.156 13.501 1.114 1.00 0.00 N ATOM 842 CE2 TRP A 57 1.335 12.890 1.370 1.00 0.00 C ATOM 843 CE3 TRP A 57 2.614 11.017 0.586 1.00 0.00 C ATOM 844 CZ2 TRP A 57 2.284 13.217 2.282 1.00 0.00 C ATOM 845 CZ3 TRP A 57 3.567 11.352 1.528 1.00 0.00 C ATOM 846 CH2 TRP A 57 3.396 12.448 2.363 1.00 0.00 C ATOM 0 H TRP A 57 -0.460 11.101 -4.333 1.00 0.00 H new ATOM 0 HA TRP A 57 -2.081 10.848 -1.896 1.00 0.00 H new ATOM 0 HB2 TRP A 57 -0.199 9.865 -0.986 1.00 0.00 H new ATOM 0 HB3 TRP A 57 0.909 10.737 -2.026 1.00 0.00 H new ATOM 0 HD1 TRP A 57 -1.470 13.048 -0.228 1.00 0.00 H new ATOM 0 HE1 TRP A 57 -0.194 14.338 1.579 1.00 0.00 H new ATOM 0 HE3 TRP A 57 2.755 10.170 -0.070 1.00 0.00 H new ATOM 0 HZ2 TRP A 57 2.156 14.072 2.929 1.00 0.00 H new ATOM 0 HZ3 TRP A 57 4.460 10.751 1.617 1.00 0.00 H new ATOM 0 HH2 TRP A 57 4.160 12.691 3.087 1.00 0.00 H new ATOM 857 N ASP A 58 -2.235 13.299 -1.809 1.00 0.00 N ATOM 858 CA ASP A 58 -2.483 14.750 -1.817 1.00 0.00 C ATOM 859 C ASP A 58 -1.339 15.576 -2.409 1.00 0.00 C ATOM 860 O ASP A 58 -1.570 16.354 -3.341 1.00 0.00 O ATOM 861 CB ASP A 58 -2.760 15.236 -0.397 1.00 0.00 C ATOM 862 CG ASP A 58 -4.237 15.300 -0.072 1.00 0.00 C ATOM 863 OD1 ASP A 58 -5.040 14.647 -0.769 1.00 0.00 O ATOM 864 OD2 ASP A 58 -4.604 16.015 0.883 1.00 0.00 O ATOM 0 H ASP A 58 -2.761 12.805 -1.088 1.00 0.00 H new ATOM 0 HA ASP A 58 -3.348 14.900 -2.463 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -2.266 14.571 0.312 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -2.321 16.225 -0.265 1.00 0.00 H new ATOM 869 N GLY A 59 -0.107 15.439 -1.886 1.00 0.00 N ATOM 870 CA GLY A 59 0.965 16.215 -2.500 1.00 0.00 C ATOM 871 C GLY A 59 1.199 15.884 -3.978 1.00 0.00 C ATOM 872 O GLY A 59 1.407 16.785 -4.792 1.00 0.00 O ATOM 0 H GLY A 59 0.153 14.844 -1.099 1.00 0.00 H new ATOM 0 HA2 GLY A 59 0.732 17.276 -2.407 1.00 0.00 H new ATOM 0 HA3 GLY A 59 1.889 16.042 -1.948 1.00 0.00 H new ATOM 876 N LYS A 60 1.135 14.593 -4.312 1.00 0.00 N ATOM 877 CA LYS A 60 1.540 14.064 -5.618 1.00 0.00 C ATOM 878 C LYS A 60 1.576 12.546 -5.515 1.00 0.00 C ATOM 879 O LYS A 60 1.158 11.995 -4.510 1.00 0.00 O ATOM 880 CB LYS A 60 2.938 14.543 -5.923 1.00 0.00 C ATOM 881 CG LYS A 60 3.882 14.070 -4.854 1.00 0.00 C ATOM 882 CD LYS A 60 4.912 15.130 -4.476 1.00 0.00 C ATOM 883 CE LYS A 60 6.148 15.079 -5.367 1.00 0.00 C ATOM 884 NZ LYS A 60 5.852 15.387 -6.792 1.00 0.00 N ATOM 0 H LYS A 60 0.795 13.874 -3.673 1.00 0.00 H new ATOM 0 HA LYS A 60 0.848 14.392 -6.394 1.00 0.00 H new ATOM 0 HB2 LYS A 60 3.257 14.167 -6.895 1.00 0.00 H new ATOM 0 HB3 LYS A 60 2.955 15.631 -5.981 1.00 0.00 H new ATOM 0 HG2 LYS A 60 3.312 13.789 -3.968 1.00 0.00 H new ATOM 0 HG3 LYS A 60 4.397 13.174 -5.199 1.00 0.00 H new ATOM 0 HD2 LYS A 60 4.456 16.118 -4.547 1.00 0.00 H new ATOM 0 HD3 LYS A 60 5.210 14.990 -3.437 1.00 0.00 H new ATOM 0 HE2 LYS A 60 6.887 15.788 -4.994 1.00 0.00 H new ATOM 0 HE3 LYS A 60 6.596 14.087 -5.301 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 6.742 15.554 -7.303 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 5.350 14.585 -7.224 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 5.256 16.238 -6.847 1.00 0.00 H new ATOM 898 N ILE A 61 2.125 11.868 -6.500 1.00 0.00 N ATOM 899 CA ILE A 61 2.360 10.463 -6.280 1.00 0.00 C ATOM 900 C ILE A 61 3.711 10.378 -5.599 1.00 0.00 C ATOM 901 O ILE A 61 4.723 10.829 -6.129 1.00 0.00 O ATOM 902 CB ILE A 61 2.287 9.620 -7.587 1.00 0.00 C ATOM 903 CG1 ILE A 61 1.964 8.159 -7.260 1.00 0.00 C ATOM 904 CG2 ILE A 61 3.571 9.694 -8.404 1.00 0.00 C ATOM 905 CD1 ILE A 61 1.879 7.269 -8.481 1.00 0.00 C ATOM 0 H ILE A 61 2.402 12.240 -7.408 1.00 0.00 H new ATOM 0 HA ILE A 61 1.577 10.030 -5.657 1.00 0.00 H new ATOM 0 HB ILE A 61 1.489 10.048 -8.194 1.00 0.00 H new ATOM 0 HG12 ILE A 61 2.728 7.768 -6.588 1.00 0.00 H new ATOM 0 HG13 ILE A 61 1.016 8.117 -6.723 1.00 0.00 H new ATOM 0 HG21 ILE A 61 3.465 9.088 -9.304 1.00 0.00 H new ATOM 0 HG22 ILE A 61 3.765 10.729 -8.684 1.00 0.00 H new ATOM 0 HG23 ILE A 61 4.403 9.317 -7.809 1.00 0.00 H new ATOM 0 HD11 ILE A 61 1.647 6.249 -8.173 1.00 0.00 H new ATOM 0 HD12 ILE A 61 1.095 7.635 -9.144 1.00 0.00 H new ATOM 0 HD13 ILE A 61 2.834 7.281 -9.007 1.00 0.00 H new ATOM 917 N GLN A 62 3.714 9.917 -4.372 1.00 0.00 N ATOM 918 CA GLN A 62 4.918 10.108 -3.583 1.00 0.00 C ATOM 919 C GLN A 62 5.351 8.823 -2.931 1.00 0.00 C ATOM 920 O GLN A 62 6.519 8.436 -2.980 1.00 0.00 O ATOM 921 CB GLN A 62 4.707 11.181 -2.516 1.00 0.00 C ATOM 922 CG GLN A 62 3.439 11.991 -2.633 1.00 0.00 C ATOM 923 CD GLN A 62 3.514 13.266 -1.807 1.00 0.00 C ATOM 924 OE1 GLN A 62 4.598 13.781 -1.536 1.00 0.00 O ATOM 925 NE2 GLN A 62 2.370 13.807 -1.442 1.00 0.00 N ATOM 0 H GLN A 62 2.944 9.431 -3.912 1.00 0.00 H new ATOM 0 HA GLN A 62 5.704 10.436 -4.264 1.00 0.00 H new ATOM 0 HB2 GLN A 62 4.718 10.700 -1.538 1.00 0.00 H new ATOM 0 HB3 GLN A 62 5.555 11.865 -2.544 1.00 0.00 H new ATOM 0 HG2 GLN A 62 3.262 12.243 -3.679 1.00 0.00 H new ATOM 0 HG3 GLN A 62 2.591 11.391 -2.302 1.00 0.00 H new ATOM 0 HE21 GLN A 62 1.490 13.352 -1.684 1.00 0.00 H new ATOM 0 HE22 GLN A 62 2.364 14.681 -0.917 1.00 0.00 H new ATOM 934 N CYS A 63 4.398 8.189 -2.308 1.00 0.00 N ATOM 935 CA CYS A 63 4.630 6.893 -1.741 1.00 0.00 C ATOM 936 C CYS A 63 4.720 5.905 -2.874 1.00 0.00 C ATOM 937 O CYS A 63 3.910 5.940 -3.777 1.00 0.00 O ATOM 938 CB CYS A 63 3.469 6.557 -0.812 1.00 0.00 C ATOM 939 SG CYS A 63 3.558 4.889 -0.143 1.00 0.00 S ATOM 0 H CYS A 63 3.453 8.550 -2.180 1.00 0.00 H new ATOM 0 HA CYS A 63 5.555 6.863 -1.165 1.00 0.00 H new ATOM 0 HB2 CYS A 63 3.452 7.271 0.011 1.00 0.00 H new ATOM 0 HB3 CYS A 63 2.531 6.674 -1.355 1.00 0.00 H new ATOM 944 N GLN A 64 5.755 5.104 -2.892 1.00 0.00 N ATOM 945 CA GLN A 64 5.791 3.965 -3.779 1.00 0.00 C ATOM 946 C GLN A 64 6.309 2.820 -2.993 1.00 0.00 C ATOM 947 O GLN A 64 7.452 2.838 -2.536 1.00 0.00 O ATOM 948 CB GLN A 64 6.652 4.198 -4.997 1.00 0.00 C ATOM 949 CG GLN A 64 6.248 5.438 -5.725 1.00 0.00 C ATOM 950 CD GLN A 64 6.932 5.595 -7.069 1.00 0.00 C ATOM 951 OE1 GLN A 64 8.061 5.143 -7.267 1.00 0.00 O ATOM 952 NE2 GLN A 64 6.253 6.237 -8.003 1.00 0.00 N ATOM 0 H GLN A 64 6.582 5.217 -2.306 1.00 0.00 H new ATOM 0 HA GLN A 64 4.787 3.774 -4.158 1.00 0.00 H new ATOM 0 HB2 GLN A 64 7.697 4.276 -4.696 1.00 0.00 H new ATOM 0 HB3 GLN A 64 6.576 3.341 -5.666 1.00 0.00 H new ATOM 0 HG2 GLN A 64 5.168 5.428 -5.874 1.00 0.00 H new ATOM 0 HG3 GLN A 64 6.476 6.305 -5.106 1.00 0.00 H new ATOM 0 HE21 GLN A 64 5.320 6.596 -7.799 1.00 0.00 H new ATOM 0 HE22 GLN A 64 6.661 6.373 -8.928 1.00 0.00 H new ATOM 961 N VAL A 65 5.489 1.836 -2.792 1.00 0.00 N ATOM 962 CA VAL A 65 5.833 0.979 -1.719 1.00 0.00 C ATOM 963 C VAL A 65 6.644 -0.222 -2.176 1.00 0.00 C ATOM 964 O VAL A 65 6.458 -0.710 -3.271 1.00 0.00 O ATOM 965 CB VAL A 65 4.606 0.528 -0.903 1.00 0.00 C ATOM 966 CG1 VAL A 65 3.442 1.481 -1.038 1.00 0.00 C ATOM 967 CG2 VAL A 65 4.200 -0.891 -1.185 1.00 0.00 C ATOM 0 H VAL A 65 4.641 1.620 -3.315 1.00 0.00 H new ATOM 0 HA VAL A 65 6.463 1.575 -1.059 1.00 0.00 H new ATOM 0 HB VAL A 65 4.922 0.555 0.140 1.00 0.00 H new ATOM 0 HG11 VAL A 65 2.603 1.118 -0.444 1.00 0.00 H new ATOM 0 HG12 VAL A 65 3.737 2.468 -0.683 1.00 0.00 H new ATOM 0 HG13 VAL A 65 3.144 1.546 -2.085 1.00 0.00 H new ATOM 0 HG21 VAL A 65 3.331 -1.148 -0.580 1.00 0.00 H new ATOM 0 HG22 VAL A 65 3.950 -0.995 -2.241 1.00 0.00 H new ATOM 0 HG23 VAL A 65 5.024 -1.561 -0.939 1.00 0.00 H new ATOM 977 N ASN A 66 7.546 -0.695 -1.341 1.00 0.00 N ATOM 978 CA ASN A 66 8.260 -1.912 -1.685 1.00 0.00 C ATOM 979 C ASN A 66 7.652 -3.083 -0.944 1.00 0.00 C ATOM 980 O ASN A 66 7.761 -3.188 0.276 1.00 0.00 O ATOM 981 CB ASN A 66 9.757 -1.792 -1.382 1.00 0.00 C ATOM 982 CG ASN A 66 10.499 -1.011 -2.453 1.00 0.00 C ATOM 983 OD1 ASN A 66 10.107 -1.011 -3.621 1.00 0.00 O ATOM 984 ND2 ASN A 66 11.583 -0.357 -2.073 1.00 0.00 N ATOM 0 H ASN A 66 7.798 -0.274 -0.447 1.00 0.00 H new ATOM 0 HA ASN A 66 8.163 -2.077 -2.758 1.00 0.00 H new ATOM 0 HB2 ASN A 66 9.893 -1.302 -0.418 1.00 0.00 H new ATOM 0 HB3 ASN A 66 10.190 -2.789 -1.296 1.00 0.00 H new ATOM 0 HD21 ASN A 66 12.126 0.171 -2.756 1.00 0.00 H new ATOM 0 HD22 ASN A 66 11.877 -0.380 -1.096 1.00 0.00 H new ATOM 991 N VAL A 67 6.970 -3.934 -1.691 1.00 0.00 N ATOM 992 CA VAL A 67 6.309 -5.084 -1.107 1.00 0.00 C ATOM 993 C VAL A 67 7.314 -6.194 -0.863 1.00 0.00 C ATOM 994 O VAL A 67 7.858 -6.756 -1.807 1.00 0.00 O ATOM 995 CB VAL A 67 5.161 -5.592 -2.005 1.00 0.00 C ATOM 996 CG1 VAL A 67 4.360 -6.676 -1.302 1.00 0.00 C ATOM 997 CG2 VAL A 67 4.256 -4.442 -2.416 1.00 0.00 C ATOM 0 H VAL A 67 6.861 -3.849 -2.702 1.00 0.00 H new ATOM 0 HA VAL A 67 5.876 -4.775 -0.155 1.00 0.00 H new ATOM 0 HB VAL A 67 5.601 -6.025 -2.904 1.00 0.00 H new ATOM 0 HG11 VAL A 67 3.557 -7.017 -1.956 1.00 0.00 H new ATOM 0 HG12 VAL A 67 5.014 -7.514 -1.063 1.00 0.00 H new ATOM 0 HG13 VAL A 67 3.933 -6.275 -0.383 1.00 0.00 H new ATOM 0 HG21 VAL A 67 3.453 -4.819 -3.049 1.00 0.00 H new ATOM 0 HG22 VAL A 67 3.830 -3.978 -1.526 1.00 0.00 H new ATOM 0 HG23 VAL A 67 4.836 -3.702 -2.968 1.00 0.00 H new ATOM 1007 N PRO A 68 7.580 -6.502 0.414 1.00 0.00 N ATOM 1008 CA PRO A 68 8.539 -7.523 0.810 1.00 0.00 C ATOM 1009 C PRO A 68 7.898 -8.900 0.922 1.00 0.00 C ATOM 1010 O PRO A 68 6.675 -9.036 0.850 1.00 0.00 O ATOM 1011 CB PRO A 68 8.994 -7.029 2.179 1.00 0.00 C ATOM 1012 CG PRO A 68 7.792 -6.354 2.755 1.00 0.00 C ATOM 1013 CD PRO A 68 6.961 -5.866 1.590 1.00 0.00 C ATOM 0 HA PRO A 68 9.346 -7.648 0.088 1.00 0.00 H new ATOM 0 HB2 PRO A 68 9.325 -7.855 2.809 1.00 0.00 H new ATOM 0 HB3 PRO A 68 9.833 -6.339 2.093 1.00 0.00 H new ATOM 0 HG2 PRO A 68 7.220 -7.046 3.374 1.00 0.00 H new ATOM 0 HG3 PRO A 68 8.086 -5.522 3.395 1.00 0.00 H new ATOM 0 HD2 PRO A 68 5.916 -6.157 1.696 1.00 0.00 H new ATOM 0 HD3 PRO A 68 6.983 -4.779 1.513 1.00 0.00 H new ATOM 1021 N GLU A 69 8.727 -9.916 1.105 1.00 0.00 N ATOM 1022 CA GLU A 69 8.232 -11.283 1.235 1.00 0.00 C ATOM 1023 C GLU A 69 7.436 -11.450 2.533 1.00 0.00 C ATOM 1024 O GLU A 69 6.699 -12.420 2.701 1.00 0.00 O ATOM 1025 CB GLU A 69 9.386 -12.293 1.219 1.00 0.00 C ATOM 1026 CG GLU A 69 10.439 -12.034 0.149 1.00 0.00 C ATOM 1027 CD GLU A 69 11.387 -10.913 0.524 1.00 0.00 C ATOM 1028 OE1 GLU A 69 12.271 -11.134 1.375 1.00 0.00 O ATOM 1029 OE2 GLU A 69 11.229 -9.791 0.000 1.00 0.00 O ATOM 0 H GLU A 69 9.741 -9.824 1.167 1.00 0.00 H new ATOM 0 HA GLU A 69 7.580 -11.476 0.383 1.00 0.00 H new ATOM 0 HB2 GLU A 69 9.870 -12.288 2.196 1.00 0.00 H new ATOM 0 HB3 GLU A 69 8.975 -13.292 1.072 1.00 0.00 H new ATOM 0 HG2 GLU A 69 11.010 -12.946 -0.022 1.00 0.00 H new ATOM 0 HG3 GLU A 69 9.944 -11.787 -0.790 1.00 0.00 H new ATOM 1036 N THR A 70 7.586 -10.493 3.441 1.00 0.00 N ATOM 1037 CA THR A 70 6.902 -10.542 4.729 1.00 0.00 C ATOM 1038 C THR A 70 5.442 -10.083 4.598 1.00 0.00 C ATOM 1039 O THR A 70 4.678 -10.118 5.560 1.00 0.00 O ATOM 1040 CB THR A 70 7.633 -9.647 5.753 1.00 0.00 C ATOM 1041 OG1 THR A 70 9.053 -9.756 5.561 1.00 0.00 O ATOM 1042 CG2 THR A 70 7.285 -10.043 7.183 1.00 0.00 C ATOM 0 H THR A 70 8.176 -9.672 3.309 1.00 0.00 H new ATOM 0 HA THR A 70 6.911 -11.576 5.074 1.00 0.00 H new ATOM 0 HB THR A 70 7.311 -8.618 5.594 1.00 0.00 H new ATOM 0 HG1 THR A 70 9.516 -9.186 6.210 1.00 0.00 H new ATOM 0 HG21 THR A 70 7.816 -9.394 7.880 1.00 0.00 H new ATOM 0 HG22 THR A 70 6.211 -9.940 7.338 1.00 0.00 H new ATOM 0 HG23 THR A 70 7.579 -11.078 7.356 1.00 0.00 H new ATOM 1050 N ALA A 71 5.066 -9.651 3.399 1.00 0.00 N ATOM 1051 CA ALA A 71 3.713 -9.165 3.161 1.00 0.00 C ATOM 1052 C ALA A 71 2.712 -10.314 3.098 1.00 0.00 C ATOM 1053 O ALA A 71 3.080 -11.456 2.817 1.00 0.00 O ATOM 1054 CB ALA A 71 3.662 -8.350 1.880 1.00 0.00 C ATOM 0 H ALA A 71 5.676 -9.628 2.582 1.00 0.00 H new ATOM 0 HA ALA A 71 3.436 -8.525 3.999 1.00 0.00 H new ATOM 0 HB1 ALA A 71 2.645 -7.994 1.716 1.00 0.00 H new ATOM 0 HB2 ALA A 71 4.336 -7.497 1.964 1.00 0.00 H new ATOM 0 HB3 ALA A 71 3.968 -8.973 1.040 1.00 0.00 H new ATOM 1060 N ILE A 72 1.450 -9.998 3.362 1.00 0.00 N ATOM 1061 CA ILE A 72 0.386 -10.984 3.344 1.00 0.00 C ATOM 1062 C ILE A 72 -0.959 -10.271 3.161 1.00 0.00 C ATOM 1063 O ILE A 72 -1.062 -9.065 3.396 1.00 0.00 O ATOM 1064 CB ILE A 72 0.406 -11.844 4.642 1.00 0.00 C ATOM 1065 CG1 ILE A 72 0.411 -13.344 4.305 1.00 0.00 C ATOM 1066 CG2 ILE A 72 -0.752 -11.500 5.574 1.00 0.00 C ATOM 1067 CD1 ILE A 72 -0.799 -13.818 3.526 1.00 0.00 C ATOM 0 H ILE A 72 1.140 -9.054 3.593 1.00 0.00 H new ATOM 0 HA ILE A 72 0.537 -11.666 2.507 1.00 0.00 H new ATOM 0 HB ILE A 72 1.328 -11.606 5.172 1.00 0.00 H new ATOM 0 HG12 ILE A 72 1.309 -13.571 3.730 1.00 0.00 H new ATOM 0 HG13 ILE A 72 0.475 -13.912 5.233 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -0.699 -12.124 6.466 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -0.689 -10.450 5.861 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -1.697 -11.680 5.062 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -0.711 -14.887 3.333 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -1.702 -13.627 4.105 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -0.855 -13.281 2.579 1.00 0.00 H new ATOM 1079 N SER A 73 -1.977 -10.999 2.723 1.00 0.00 N ATOM 1080 CA SER A 73 -3.274 -10.391 2.482 1.00 0.00 C ATOM 1081 C SER A 73 -4.345 -11.047 3.353 1.00 0.00 C ATOM 1082 O SER A 73 -4.047 -12.016 4.052 1.00 0.00 O ATOM 1083 CB SER A 73 -3.620 -10.508 1.001 1.00 0.00 C ATOM 1084 OG SER A 73 -3.466 -11.835 0.532 1.00 0.00 O ATOM 0 H SER A 73 -1.930 -11.999 2.530 1.00 0.00 H new ATOM 0 HA SER A 73 -3.234 -9.335 2.750 1.00 0.00 H new ATOM 0 HB2 SER A 73 -4.648 -10.182 0.840 1.00 0.00 H new ATOM 0 HB3 SER A 73 -2.980 -9.841 0.424 1.00 0.00 H new ATOM 0 HG SER A 73 -3.697 -11.875 -0.419 1.00 0.00 H new ATOM 1090 N ASP A 74 -5.582 -10.505 3.324 1.00 0.00 N ATOM 1091 CA ASP A 74 -6.681 -11.021 4.157 1.00 0.00 C ATOM 1092 C ASP A 74 -6.423 -10.729 5.642 1.00 0.00 C ATOM 1093 O ASP A 74 -7.153 -11.186 6.521 1.00 0.00 O ATOM 1094 CB ASP A 74 -6.880 -12.528 3.921 1.00 0.00 C ATOM 1095 CG ASP A 74 -8.140 -13.075 4.563 1.00 0.00 C ATOM 1096 OD1 ASP A 74 -9.247 -12.724 4.101 1.00 0.00 O ATOM 1097 OD2 ASP A 74 -8.033 -13.864 5.522 1.00 0.00 O ATOM 0 H ASP A 74 -5.840 -9.714 2.734 1.00 0.00 H new ATOM 0 HA ASP A 74 -7.598 -10.508 3.867 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -6.915 -12.719 2.848 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -6.017 -13.067 4.313 1.00 0.00 H new ATOM 1102 N GLN A 75 -5.387 -9.942 5.905 1.00 0.00 N ATOM 1103 CA GLN A 75 -5.029 -9.560 7.265 1.00 0.00 C ATOM 1104 C GLN A 75 -4.652 -8.087 7.304 1.00 0.00 C ATOM 1105 O GLN A 75 -4.558 -7.435 6.259 1.00 0.00 O ATOM 1106 CB GLN A 75 -3.845 -10.392 7.772 1.00 0.00 C ATOM 1107 CG GLN A 75 -4.144 -11.870 7.965 1.00 0.00 C ATOM 1108 CD GLN A 75 -2.935 -12.641 8.457 1.00 0.00 C ATOM 1109 OE1 GLN A 75 -2.076 -12.102 9.159 1.00 0.00 O ATOM 1110 NE2 GLN A 75 -2.853 -13.909 8.092 1.00 0.00 N ATOM 0 H GLN A 75 -4.775 -9.553 5.187 1.00 0.00 H new ATOM 0 HA GLN A 75 -5.891 -9.742 7.907 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -3.019 -10.291 7.067 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -3.507 -9.977 8.721 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -4.960 -11.983 8.679 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -4.485 -12.296 7.021 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -3.583 -14.321 7.511 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -2.060 -14.476 8.392 1.00 0.00 H new ATOM 1119 N GLN A 76 -4.453 -7.568 8.506 1.00 0.00 N ATOM 1120 CA GLN A 76 -3.925 -6.225 8.678 1.00 0.00 C ATOM 1121 C GLN A 76 -2.417 -6.293 8.846 1.00 0.00 C ATOM 1122 O GLN A 76 -1.911 -7.007 9.715 1.00 0.00 O ATOM 1123 CB GLN A 76 -4.566 -5.514 9.875 1.00 0.00 C ATOM 1124 CG GLN A 76 -4.447 -6.265 11.191 1.00 0.00 C ATOM 1125 CD GLN A 76 -4.988 -5.466 12.356 1.00 0.00 C ATOM 1126 OE1 GLN A 76 -5.907 -4.661 12.197 1.00 0.00 O ATOM 1127 NE2 GLN A 76 -4.428 -5.682 13.535 1.00 0.00 N ATOM 0 H GLN A 76 -4.650 -8.059 9.378 1.00 0.00 H new ATOM 0 HA GLN A 76 -4.168 -5.644 7.788 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -4.105 -4.533 9.988 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -5.622 -5.348 9.660 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -4.987 -7.209 11.119 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -3.401 -6.509 11.375 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -3.669 -6.358 13.623 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -4.755 -5.173 14.356 1.00 0.00 H new ATOM 1136 N LEU A 77 -1.697 -5.570 8.009 1.00 0.00 N ATOM 1137 CA LEU A 77 -0.260 -5.645 8.049 1.00 0.00 C ATOM 1138 C LEU A 77 0.298 -4.319 7.605 1.00 0.00 C ATOM 1139 O LEU A 77 -0.327 -3.618 6.806 1.00 0.00 O ATOM 1140 CB LEU A 77 0.246 -6.773 7.143 1.00 0.00 C ATOM 1141 CG LEU A 77 1.753 -7.028 7.191 1.00 0.00 C ATOM 1142 CD1 LEU A 77 2.177 -7.482 8.580 1.00 0.00 C ATOM 1143 CD2 LEU A 77 2.144 -8.062 6.149 1.00 0.00 C ATOM 0 H LEU A 77 -2.080 -4.937 7.307 1.00 0.00 H new ATOM 0 HA LEU A 77 0.071 -5.864 9.064 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -0.270 -7.694 7.416 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -0.034 -6.543 6.115 1.00 0.00 H new ATOM 0 HG LEU A 77 2.269 -6.095 6.966 1.00 0.00 H new ATOM 0 HD11 LEU A 77 3.253 -7.658 8.593 1.00 0.00 H new ATOM 0 HD12 LEU A 77 1.927 -6.710 9.307 1.00 0.00 H new ATOM 0 HD13 LEU A 77 1.655 -8.404 8.836 1.00 0.00 H new ATOM 0 HD21 LEU A 77 3.219 -8.235 6.193 1.00 0.00 H new ATOM 0 HD22 LEU A 77 1.618 -8.996 6.348 1.00 0.00 H new ATOM 0 HD23 LEU A 77 1.876 -7.698 5.157 1.00 0.00 H new ATOM 1155 N LEU A 78 1.444 -3.954 8.129 1.00 0.00 N ATOM 1156 CA LEU A 78 2.006 -2.689 7.737 1.00 0.00 C ATOM 1157 C LEU A 78 3.063 -2.902 6.659 1.00 0.00 C ATOM 1158 O LEU A 78 3.922 -3.778 6.788 1.00 0.00 O ATOM 1159 CB LEU A 78 2.596 -1.929 8.938 1.00 0.00 C ATOM 1160 CG LEU A 78 3.769 -2.606 9.666 1.00 0.00 C ATOM 1161 CD1 LEU A 78 4.491 -1.600 10.545 1.00 0.00 C ATOM 1162 CD2 LEU A 78 3.289 -3.777 10.513 1.00 0.00 C ATOM 0 H LEU A 78 1.987 -4.493 8.803 1.00 0.00 H new ATOM 0 HA LEU A 78 1.202 -2.074 7.332 1.00 0.00 H new ATOM 0 HB2 LEU A 78 2.927 -0.950 8.593 1.00 0.00 H new ATOM 0 HB3 LEU A 78 1.798 -1.759 9.661 1.00 0.00 H new ATOM 0 HG LEU A 78 4.457 -2.987 8.911 1.00 0.00 H new ATOM 0 HD11 LEU A 78 5.319 -2.091 11.055 1.00 0.00 H new ATOM 0 HD12 LEU A 78 4.875 -0.788 9.928 1.00 0.00 H new ATOM 0 HD13 LEU A 78 3.797 -1.198 11.283 1.00 0.00 H new ATOM 0 HD21 LEU A 78 4.141 -4.236 11.016 1.00 0.00 H new ATOM 0 HD22 LEU A 78 2.577 -3.420 11.258 1.00 0.00 H new ATOM 0 HD23 LEU A 78 2.805 -4.515 9.873 1.00 0.00 H new ATOM 1174 N LEU A 79 2.987 -2.117 5.596 1.00 0.00 N ATOM 1175 CA LEU A 79 3.905 -2.280 4.479 1.00 0.00 C ATOM 1176 C LEU A 79 4.879 -1.106 4.384 1.00 0.00 C ATOM 1177 O LEU A 79 4.511 0.054 4.660 1.00 0.00 O ATOM 1178 CB LEU A 79 3.148 -2.437 3.152 1.00 0.00 C ATOM 1179 CG LEU A 79 2.377 -3.752 2.964 1.00 0.00 C ATOM 1180 CD1 LEU A 79 3.251 -4.943 3.322 1.00 0.00 C ATOM 1181 CD2 LEU A 79 1.093 -3.761 3.779 1.00 0.00 C ATOM 0 H LEU A 79 2.305 -1.367 5.483 1.00 0.00 H new ATOM 0 HA LEU A 79 4.475 -3.191 4.665 1.00 0.00 H new ATOM 0 HB2 LEU A 79 2.444 -1.610 3.059 1.00 0.00 H new ATOM 0 HB3 LEU A 79 3.863 -2.339 2.336 1.00 0.00 H new ATOM 0 HG LEU A 79 2.103 -3.831 1.912 1.00 0.00 H new ATOM 0 HD11 LEU A 79 2.686 -5.864 3.182 1.00 0.00 H new ATOM 0 HD12 LEU A 79 4.131 -4.955 2.678 1.00 0.00 H new ATOM 0 HD13 LEU A 79 3.564 -4.864 4.363 1.00 0.00 H new ATOM 0 HD21 LEU A 79 0.570 -4.705 3.624 1.00 0.00 H new ATOM 0 HD22 LEU A 79 1.332 -3.648 4.836 1.00 0.00 H new ATOM 0 HD23 LEU A 79 0.455 -2.937 3.461 1.00 0.00 H new ATOM 1193 N PRO A 80 6.140 -1.401 3.993 1.00 0.00 N ATOM 1194 CA PRO A 80 7.194 -0.406 3.842 1.00 0.00 C ATOM 1195 C PRO A 80 7.098 0.365 2.528 1.00 0.00 C ATOM 1196 O PRO A 80 7.479 -0.125 1.464 1.00 0.00 O ATOM 1197 CB PRO A 80 8.496 -1.221 3.882 1.00 0.00 C ATOM 1198 CG PRO A 80 8.087 -2.643 4.091 1.00 0.00 C ATOM 1199 CD PRO A 80 6.648 -2.740 3.678 1.00 0.00 C ATOM 0 HA PRO A 80 7.129 0.351 4.624 1.00 0.00 H new ATOM 0 HB2 PRO A 80 9.055 -1.109 2.953 1.00 0.00 H new ATOM 0 HB3 PRO A 80 9.145 -0.879 4.688 1.00 0.00 H new ATOM 0 HG2 PRO A 80 8.707 -3.316 3.498 1.00 0.00 H new ATOM 0 HG3 PRO A 80 8.211 -2.933 5.135 1.00 0.00 H new ATOM 0 HD2 PRO A 80 6.544 -2.975 2.619 1.00 0.00 H new ATOM 0 HD3 PRO A 80 6.118 -3.516 4.230 1.00 0.00 H new ATOM 1207 N CYS A 81 6.558 1.557 2.616 1.00 0.00 N ATOM 1208 CA CYS A 81 6.514 2.475 1.495 1.00 0.00 C ATOM 1209 C CYS A 81 7.833 3.221 1.375 1.00 0.00 C ATOM 1210 O CYS A 81 8.507 3.477 2.377 1.00 0.00 O ATOM 1211 CB CYS A 81 5.358 3.424 1.692 1.00 0.00 C ATOM 1212 SG CYS A 81 5.411 4.883 0.643 1.00 0.00 S ATOM 0 H CYS A 81 6.134 1.922 3.469 1.00 0.00 H new ATOM 0 HA CYS A 81 6.365 1.926 0.565 1.00 0.00 H new ATOM 0 HB2 CYS A 81 4.428 2.889 1.503 1.00 0.00 H new ATOM 0 HB3 CYS A 81 5.337 3.741 2.735 1.00 0.00 H new ATOM 1217 N THR A 82 8.225 3.521 0.152 1.00 0.00 N ATOM 1218 CA THR A 82 9.453 4.244 -0.094 1.00 0.00 C ATOM 1219 C THR A 82 9.163 5.469 -0.953 1.00 0.00 C ATOM 1220 O THR A 82 8.379 5.392 -1.898 1.00 0.00 O ATOM 1221 CB THR A 82 10.482 3.335 -0.802 1.00 0.00 C ATOM 1222 OG1 THR A 82 10.583 2.088 -0.100 1.00 0.00 O ATOM 1223 CG2 THR A 82 11.855 3.989 -0.868 1.00 0.00 C ATOM 0 H THR A 82 7.706 3.273 -0.690 1.00 0.00 H new ATOM 0 HA THR A 82 9.871 4.563 0.861 1.00 0.00 H new ATOM 0 HB THR A 82 10.137 3.167 -1.822 1.00 0.00 H new ATOM 0 HG1 THR A 82 11.352 1.583 -0.439 1.00 0.00 H new ATOM 0 HG21 THR A 82 12.553 3.320 -1.373 1.00 0.00 H new ATOM 0 HG22 THR A 82 11.786 4.926 -1.421 1.00 0.00 H new ATOM 0 HG23 THR A 82 12.211 4.190 0.142 1.00 0.00 H new ATOM 1231 N PRO A 83 9.747 6.629 -0.617 1.00 0.00 N ATOM 1232 CA PRO A 83 9.624 7.828 -1.446 1.00 0.00 C ATOM 1233 C PRO A 83 10.083 7.555 -2.876 1.00 0.00 C ATOM 1234 O PRO A 83 10.922 6.681 -3.107 1.00 0.00 O ATOM 1235 CB PRO A 83 10.543 8.851 -0.765 1.00 0.00 C ATOM 1236 CG PRO A 83 11.377 8.067 0.195 1.00 0.00 C ATOM 1237 CD PRO A 83 10.555 6.873 0.585 1.00 0.00 C ATOM 0 HA PRO A 83 8.594 8.176 -1.523 1.00 0.00 H new ATOM 0 HB2 PRO A 83 11.167 9.365 -1.496 1.00 0.00 H new ATOM 0 HB3 PRO A 83 9.963 9.615 -0.247 1.00 0.00 H new ATOM 0 HG2 PRO A 83 12.316 7.760 -0.266 1.00 0.00 H new ATOM 0 HG3 PRO A 83 11.632 8.666 1.069 1.00 0.00 H new ATOM 0 HD2 PRO A 83 11.180 6.015 0.834 1.00 0.00 H new ATOM 0 HD3 PRO A 83 9.933 7.077 1.456 1.00 0.00 H new ATOM 1245 N GLN A 84 9.537 8.302 -3.828 1.00 0.00 N ATOM 1246 CA GLN A 84 9.843 8.068 -5.242 1.00 0.00 C ATOM 1247 C GLN A 84 11.313 8.380 -5.565 1.00 0.00 C ATOM 1248 O GLN A 84 11.771 8.185 -6.694 1.00 0.00 O ATOM 1249 CB GLN A 84 8.912 8.918 -6.113 1.00 0.00 C ATOM 1250 CG GLN A 84 8.930 8.544 -7.588 1.00 0.00 C ATOM 1251 CD GLN A 84 7.966 9.371 -8.414 1.00 0.00 C ATOM 1252 OE1 GLN A 84 6.935 9.819 -7.921 1.00 0.00 O ATOM 1253 NE2 GLN A 84 8.292 9.572 -9.679 1.00 0.00 N ATOM 0 H GLN A 84 8.886 9.068 -3.654 1.00 0.00 H new ATOM 0 HA GLN A 84 9.682 7.012 -5.457 1.00 0.00 H new ATOM 0 HB2 GLN A 84 7.893 8.823 -5.737 1.00 0.00 H new ATOM 0 HB3 GLN A 84 9.193 9.966 -6.011 1.00 0.00 H new ATOM 0 HG2 GLN A 84 9.939 8.673 -7.979 1.00 0.00 H new ATOM 0 HG3 GLN A 84 8.679 7.488 -7.694 1.00 0.00 H new ATOM 0 HE21 GLN A 84 9.158 9.182 -10.050 1.00 0.00 H new ATOM 0 HE22 GLN A 84 7.677 10.117 -10.284 1.00 0.00 H new