USER MOD reduce.3.24.130724 H: found=0, std=0, add=739, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 740 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 16 CYS SG : rot 78:sc= 0.128 USER MOD Single : A 17 GLN : amide:sc= 0.623 K(o=0.62,f=-0.43) USER MOD Single : A 19 GLN : amide:sc= -0.472 K(o=-0.47,f=-1.2) USER MOD Single : A 20 THR OG1 : rot -86:sc= 1.27 USER MOD Single : A 23 TYR OH : rot 30:sc= -3.19 USER MOD Single : A 27 HIS : no HE2:sc= -0.841 K(o=-0.84,f=-4.5!) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot 140:sc= 0.0274 USER MOD Single : A 42 CYS SG : rot 62:sc= -1.55 USER MOD Single : A 46 TYR OH : rot 74:sc= 1.04 USER MOD Single : A 49 GLN : amide:sc= -4.18! C(o=-4.2!,f=-7!) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 59 GLN : amide:sc= -0.0186 K(o=-0.019,f=-1) USER MOD Single : A 67 THR OG1 : rot -150:sc= -1.17 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 ASN : amide:sc= -1.25 K(o=-1.3,f=-0.33) USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 87 GLN : amide:sc= 0 X(o=0,f=-0.19) USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 101 TYR OH : rot 30:sc= -1.54! USER MOD Single : A 103 SER OG : rot 72:sc= 0.823 USER MOD Single : A 104 HIS : no HD1:sc= -2.4 K(o=-2.4,f=-0.74) USER MOD Single : A 106 HIS : no HD1:sc= -5.74! K(o=-5.7!,f=-3) USER MOD Single : A 107 SER OG : rot 81:sc= 0.867 USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 112 N GLU A 11 -0.803 -13.601 -3.434 1.00 0.00 N ATOM 113 CA GLU A 11 0.588 -13.175 -3.328 1.00 0.00 C ATOM 114 C GLU A 11 0.677 -11.699 -2.949 1.00 0.00 C ATOM 115 O GLU A 11 1.493 -11.309 -2.114 1.00 0.00 O ATOM 116 CB GLU A 11 1.322 -13.419 -4.648 1.00 0.00 C ATOM 117 CG GLU A 11 1.477 -14.891 -4.995 1.00 0.00 C ATOM 118 CD GLU A 11 1.744 -15.751 -3.776 1.00 0.00 C ATOM 119 OE1 GLU A 11 0.777 -16.074 -3.055 1.00 0.00 O ATOM 120 OE2 GLU A 11 2.920 -16.102 -3.543 1.00 0.00 O ATOM 0 HA GLU A 11 1.063 -13.764 -2.543 1.00 0.00 H new ATOM 0 HB2 GLU A 11 0.782 -12.920 -5.452 1.00 0.00 H new ATOM 0 HB3 GLU A 11 2.310 -12.961 -4.595 1.00 0.00 H new ATOM 0 HG2 GLU A 11 0.572 -15.241 -5.491 1.00 0.00 H new ATOM 0 HG3 GLU A 11 2.296 -15.009 -5.705 1.00 0.00 H new ATOM 127 N LEU A 12 -0.167 -10.883 -3.571 1.00 0.00 N ATOM 128 CA LEU A 12 -0.184 -9.449 -3.301 1.00 0.00 C ATOM 129 C LEU A 12 -0.380 -9.178 -1.812 1.00 0.00 C ATOM 130 O LEU A 12 0.382 -8.427 -1.202 1.00 0.00 O ATOM 131 CB LEU A 12 -1.296 -8.772 -4.105 1.00 0.00 C ATOM 132 CG LEU A 12 -1.500 -7.280 -3.843 1.00 0.00 C ATOM 133 CD1 LEU A 12 -0.277 -6.489 -4.282 1.00 0.00 C ATOM 134 CD2 LEU A 12 -2.747 -6.778 -4.557 1.00 0.00 C ATOM 0 H LEU A 12 -0.848 -11.189 -4.265 1.00 0.00 H new ATOM 0 HA LEU A 12 0.778 -9.035 -3.603 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -1.085 -8.909 -5.166 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -2.233 -9.288 -3.897 1.00 0.00 H new ATOM 0 HG LEU A 12 -1.636 -7.134 -2.771 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -0.440 -5.429 -4.088 1.00 0.00 H new ATOM 0 HD12 LEU A 12 0.596 -6.830 -3.725 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -0.109 -6.641 -5.348 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -2.876 -5.714 -4.359 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -2.641 -6.937 -5.630 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -3.618 -7.323 -4.194 1.00 0.00 H new ATOM 146 N LEU A 13 -1.404 -9.796 -1.233 1.00 0.00 N ATOM 147 CA LEU A 13 -1.698 -9.623 0.185 1.00 0.00 C ATOM 148 C LEU A 13 -0.470 -9.926 1.037 1.00 0.00 C ATOM 149 O LEU A 13 0.097 -9.033 1.667 1.00 0.00 O ATOM 150 CB LEU A 13 -2.857 -10.531 0.599 1.00 0.00 C ATOM 151 CG LEU A 13 -3.073 -10.700 2.103 1.00 0.00 C ATOM 152 CD1 LEU A 13 -3.435 -9.368 2.744 1.00 0.00 C ATOM 153 CD2 LEU A 13 -4.155 -11.735 2.375 1.00 0.00 C ATOM 0 H LEU A 13 -2.044 -10.421 -1.723 1.00 0.00 H new ATOM 0 HA LEU A 13 -1.982 -8.583 0.348 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -3.775 -10.137 0.162 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -2.694 -11.516 0.163 1.00 0.00 H new ATOM 0 HG LEU A 13 -2.141 -11.053 2.546 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -3.585 -9.508 3.814 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -2.627 -8.654 2.581 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -4.352 -8.986 2.296 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -4.294 -11.841 3.451 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -5.090 -11.412 1.918 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -3.856 -12.694 1.951 1.00 0.00 H new ATOM 165 N ARG A 14 -0.064 -11.192 1.050 1.00 0.00 N ATOM 166 CA ARG A 14 1.098 -11.612 1.825 1.00 0.00 C ATOM 167 C ARG A 14 2.278 -10.675 1.587 1.00 0.00 C ATOM 168 O ARG A 14 2.901 -10.194 2.533 1.00 0.00 O ATOM 169 CB ARG A 14 1.490 -13.045 1.459 1.00 0.00 C ATOM 170 CG ARG A 14 0.595 -14.101 2.086 1.00 0.00 C ATOM 171 CD ARG A 14 0.572 -15.376 1.259 1.00 0.00 C ATOM 172 NE ARG A 14 1.617 -16.311 1.666 1.00 0.00 N ATOM 173 CZ ARG A 14 2.865 -16.262 1.211 1.00 0.00 C ATOM 174 NH1 ARG A 14 3.221 -15.328 0.341 1.00 0.00 N ATOM 175 NH2 ARG A 14 3.759 -17.149 1.629 1.00 0.00 N ATOM 0 H ARG A 14 -0.522 -11.943 0.534 1.00 0.00 H new ATOM 0 HA ARG A 14 0.832 -11.573 2.881 1.00 0.00 H new ATOM 0 HB2 ARG A 14 1.462 -13.155 0.375 1.00 0.00 H new ATOM 0 HB3 ARG A 14 2.519 -13.222 1.771 1.00 0.00 H new ATOM 0 HG2 ARG A 14 0.947 -14.326 3.093 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -0.418 -13.710 2.182 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -0.402 -15.855 1.359 1.00 0.00 H new ATOM 0 HD3 ARG A 14 0.699 -15.127 0.205 1.00 0.00 H new ATOM 0 HE ARG A 14 1.376 -17.042 2.336 1.00 0.00 H new ATOM 0 HH11 ARG A 14 2.537 -14.644 0.019 1.00 0.00 H new ATOM 0 HH12 ARG A 14 4.179 -15.293 -0.006 1.00 0.00 H new ATOM 0 HH21 ARG A 14 3.489 -17.869 2.299 1.00 0.00 H new ATOM 0 HH22 ARG A 14 4.717 -17.111 1.280 1.00 0.00 H new ATOM 189 N TRP A 15 2.580 -10.420 0.318 1.00 0.00 N ATOM 190 CA TRP A 15 3.685 -9.540 -0.043 1.00 0.00 C ATOM 191 C TRP A 15 3.550 -8.187 0.644 1.00 0.00 C ATOM 192 O TRP A 15 4.521 -7.655 1.186 1.00 0.00 O ATOM 193 CB TRP A 15 3.740 -9.353 -1.560 1.00 0.00 C ATOM 194 CG TRP A 15 4.795 -8.385 -2.001 1.00 0.00 C ATOM 195 CD1 TRP A 15 6.135 -8.624 -2.105 1.00 0.00 C ATOM 196 CD2 TRP A 15 4.597 -7.022 -2.395 1.00 0.00 C ATOM 197 NE1 TRP A 15 6.782 -7.492 -2.540 1.00 0.00 N ATOM 198 CE2 TRP A 15 5.861 -6.496 -2.727 1.00 0.00 C ATOM 199 CE3 TRP A 15 3.474 -6.197 -2.504 1.00 0.00 C ATOM 200 CZ2 TRP A 15 6.030 -5.183 -3.157 1.00 0.00 C ATOM 201 CZ3 TRP A 15 3.644 -4.894 -2.931 1.00 0.00 C ATOM 202 CH2 TRP A 15 4.915 -4.397 -3.253 1.00 0.00 C ATOM 0 H TRP A 15 2.075 -10.810 -0.477 1.00 0.00 H new ATOM 0 HA TRP A 15 4.612 -10.005 0.292 1.00 0.00 H new ATOM 0 HB2 TRP A 15 3.923 -10.319 -2.032 1.00 0.00 H new ATOM 0 HB3 TRP A 15 2.768 -9.006 -1.912 1.00 0.00 H new ATOM 0 HD1 TRP A 15 6.616 -9.564 -1.879 1.00 0.00 H new ATOM 0 HE1 TRP A 15 7.786 -7.407 -2.698 1.00 0.00 H new ATOM 0 HE3 TRP A 15 2.491 -6.571 -2.259 1.00 0.00 H new ATOM 0 HZ2 TRP A 15 7.008 -4.798 -3.406 1.00 0.00 H new ATOM 0 HZ3 TRP A 15 2.783 -4.247 -3.018 1.00 0.00 H new ATOM 0 HH2 TRP A 15 5.015 -3.374 -3.583 1.00 0.00 H new ATOM 213 N CYS A 16 2.343 -7.634 0.621 1.00 0.00 N ATOM 214 CA CYS A 16 2.083 -6.339 1.242 1.00 0.00 C ATOM 215 C CYS A 16 2.332 -6.398 2.745 1.00 0.00 C ATOM 216 O CYS A 16 2.854 -5.453 3.335 1.00 0.00 O ATOM 217 CB CYS A 16 0.643 -5.900 0.968 1.00 0.00 C ATOM 218 SG CYS A 16 0.358 -5.316 -0.718 1.00 0.00 S ATOM 0 H CYS A 16 1.529 -8.061 0.179 1.00 0.00 H new ATOM 0 HA CYS A 16 2.767 -5.610 0.807 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -0.025 -6.737 1.169 1.00 0.00 H new ATOM 0 HB3 CYS A 16 0.378 -5.106 1.666 1.00 0.00 H new ATOM 0 HG CYS A 16 0.266 -6.335 -1.520 1.00 0.00 H new ATOM 224 N GLN A 17 1.954 -7.514 3.360 1.00 0.00 N ATOM 225 CA GLN A 17 2.135 -7.695 4.796 1.00 0.00 C ATOM 226 C GLN A 17 3.597 -7.507 5.187 1.00 0.00 C ATOM 227 O GLN A 17 3.915 -6.713 6.071 1.00 0.00 O ATOM 228 CB GLN A 17 1.654 -9.083 5.221 1.00 0.00 C ATOM 229 CG GLN A 17 0.142 -9.233 5.212 1.00 0.00 C ATOM 230 CD GLN A 17 -0.315 -10.575 5.750 1.00 0.00 C ATOM 231 OE1 GLN A 17 0.396 -11.575 5.643 1.00 0.00 O ATOM 232 NE2 GLN A 17 -1.509 -10.604 6.332 1.00 0.00 N ATOM 0 H GLN A 17 1.520 -8.307 2.886 1.00 0.00 H new ATOM 0 HA GLN A 17 1.540 -6.940 5.311 1.00 0.00 H new ATOM 0 HB2 GLN A 17 2.088 -9.828 4.555 1.00 0.00 H new ATOM 0 HB3 GLN A 17 2.026 -9.296 6.223 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -0.302 -8.436 5.809 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -0.225 -9.110 4.193 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -2.065 -9.751 6.399 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -1.870 -11.479 6.712 1.00 0.00 H new ATOM 241 N GLU A 18 4.482 -8.244 4.524 1.00 0.00 N ATOM 242 CA GLU A 18 5.910 -8.159 4.805 1.00 0.00 C ATOM 243 C GLU A 18 6.410 -6.726 4.650 1.00 0.00 C ATOM 244 O GLU A 18 7.124 -6.212 5.510 1.00 0.00 O ATOM 245 CB GLU A 18 6.692 -9.088 3.873 1.00 0.00 C ATOM 246 CG GLU A 18 6.288 -10.548 3.989 1.00 0.00 C ATOM 247 CD GLU A 18 6.822 -11.203 5.249 1.00 0.00 C ATOM 248 OE1 GLU A 18 8.053 -11.190 5.448 1.00 0.00 O ATOM 249 OE2 GLU A 18 6.005 -11.728 6.035 1.00 0.00 O ATOM 0 H GLU A 18 4.235 -8.907 3.789 1.00 0.00 H new ATOM 0 HA GLU A 18 6.071 -8.472 5.837 1.00 0.00 H new ATOM 0 HB2 GLU A 18 6.548 -8.761 2.843 1.00 0.00 H new ATOM 0 HB3 GLU A 18 7.756 -8.996 4.091 1.00 0.00 H new ATOM 0 HG2 GLU A 18 5.201 -10.622 3.978 1.00 0.00 H new ATOM 0 HG3 GLU A 18 6.653 -11.092 3.118 1.00 0.00 H new ATOM 256 N GLN A 19 6.031 -6.089 3.547 1.00 0.00 N ATOM 257 CA GLN A 19 6.443 -4.716 3.279 1.00 0.00 C ATOM 258 C GLN A 19 5.846 -3.759 4.305 1.00 0.00 C ATOM 259 O GLN A 19 6.412 -2.702 4.588 1.00 0.00 O ATOM 260 CB GLN A 19 6.017 -4.300 1.870 1.00 0.00 C ATOM 261 CG GLN A 19 6.592 -5.185 0.775 1.00 0.00 C ATOM 262 CD GLN A 19 8.065 -5.480 0.976 1.00 0.00 C ATOM 263 OE1 GLN A 19 8.830 -4.617 1.408 1.00 0.00 O ATOM 264 NE2 GLN A 19 8.471 -6.706 0.665 1.00 0.00 N ATOM 0 H GLN A 19 5.440 -6.501 2.825 1.00 0.00 H new ATOM 0 HA GLN A 19 7.529 -4.668 3.353 1.00 0.00 H new ATOM 0 HB2 GLN A 19 4.929 -4.319 1.808 1.00 0.00 H new ATOM 0 HB3 GLN A 19 6.328 -3.270 1.694 1.00 0.00 H new ATOM 0 HG2 GLN A 19 6.038 -6.123 0.744 1.00 0.00 H new ATOM 0 HG3 GLN A 19 6.451 -4.699 -0.191 1.00 0.00 H new ATOM 0 HE21 GLN A 19 7.803 -7.390 0.310 1.00 0.00 H new ATOM 0 HE22 GLN A 19 9.451 -6.963 0.781 1.00 0.00 H new ATOM 273 N THR A 20 4.700 -4.135 4.864 1.00 0.00 N ATOM 274 CA THR A 20 4.026 -3.311 5.858 1.00 0.00 C ATOM 275 C THR A 20 4.084 -3.955 7.238 1.00 0.00 C ATOM 276 O THR A 20 3.202 -3.745 8.070 1.00 0.00 O ATOM 277 CB THR A 20 2.553 -3.066 5.480 1.00 0.00 C ATOM 278 OG1 THR A 20 1.830 -4.301 5.505 1.00 0.00 O ATOM 279 CG2 THR A 20 2.446 -2.438 4.099 1.00 0.00 C ATOM 0 H THR A 20 4.219 -5.007 4.644 1.00 0.00 H new ATOM 0 HA THR A 20 4.551 -2.356 5.884 1.00 0.00 H new ATOM 0 HB THR A 20 2.123 -2.378 6.208 1.00 0.00 H new ATOM 0 HG1 THR A 20 1.928 -4.755 4.642 1.00 0.00 H new ATOM 0 HG21 THR A 20 1.397 -2.274 3.854 1.00 0.00 H new ATOM 0 HG22 THR A 20 2.973 -1.484 4.091 1.00 0.00 H new ATOM 0 HG23 THR A 20 2.891 -3.105 3.361 1.00 0.00 H new ATOM 287 N ALA A 21 5.130 -4.740 7.476 1.00 0.00 N ATOM 288 CA ALA A 21 5.305 -5.413 8.757 1.00 0.00 C ATOM 289 C ALA A 21 6.194 -4.596 9.689 1.00 0.00 C ATOM 290 O ALA A 21 6.028 -4.628 10.907 1.00 0.00 O ATOM 291 CB ALA A 21 5.890 -6.802 8.548 1.00 0.00 C ATOM 0 H ALA A 21 5.869 -4.925 6.798 1.00 0.00 H new ATOM 0 HA ALA A 21 4.326 -5.511 9.225 1.00 0.00 H new ATOM 0 HB1 ALA A 21 6.015 -7.293 9.513 1.00 0.00 H new ATOM 0 HB2 ALA A 21 5.216 -7.391 7.926 1.00 0.00 H new ATOM 0 HB3 ALA A 21 6.859 -6.718 8.055 1.00 0.00 H new ATOM 297 N GLY A 22 7.140 -3.865 9.107 1.00 0.00 N ATOM 298 CA GLY A 22 8.042 -3.052 9.901 1.00 0.00 C ATOM 299 C GLY A 22 7.473 -1.679 10.201 1.00 0.00 C ATOM 300 O GLY A 22 8.189 -0.679 10.157 1.00 0.00 O ATOM 0 H GLY A 22 7.298 -3.822 8.100 1.00 0.00 H new ATOM 0 HA2 GLY A 22 8.259 -3.565 10.838 1.00 0.00 H new ATOM 0 HA3 GLY A 22 8.988 -2.942 9.372 1.00 0.00 H new ATOM 304 N TYR A 23 6.180 -1.630 10.507 1.00 0.00 N ATOM 305 CA TYR A 23 5.514 -0.369 10.811 1.00 0.00 C ATOM 306 C TYR A 23 4.536 -0.536 11.970 1.00 0.00 C ATOM 307 O TYR A 23 3.684 -1.425 11.974 1.00 0.00 O ATOM 308 CB TYR A 23 4.776 0.152 9.577 1.00 0.00 C ATOM 309 CG TYR A 23 4.504 1.639 9.618 1.00 0.00 C ATOM 310 CD1 TYR A 23 3.815 2.210 10.681 1.00 0.00 C ATOM 311 CD2 TYR A 23 4.936 2.473 8.594 1.00 0.00 C ATOM 312 CE1 TYR A 23 3.563 3.568 10.723 1.00 0.00 C ATOM 313 CE2 TYR A 23 4.691 3.832 8.627 1.00 0.00 C ATOM 314 CZ TYR A 23 4.003 4.375 9.693 1.00 0.00 C ATOM 315 OH TYR A 23 3.756 5.727 9.731 1.00 0.00 O ATOM 0 H TYR A 23 5.573 -2.449 10.551 1.00 0.00 H new ATOM 0 HA TYR A 23 6.275 0.354 11.103 1.00 0.00 H new ATOM 0 HB2 TYR A 23 5.364 -0.077 8.688 1.00 0.00 H new ATOM 0 HB3 TYR A 23 3.830 -0.380 9.478 1.00 0.00 H new ATOM 0 HD1 TYR A 23 3.470 1.581 11.489 1.00 0.00 H new ATOM 0 HD2 TYR A 23 5.473 2.051 7.757 1.00 0.00 H new ATOM 0 HE1 TYR A 23 3.025 3.995 11.556 1.00 0.00 H new ATOM 0 HE2 TYR A 23 5.036 4.466 7.823 1.00 0.00 H new ATOM 0 HH TYR A 23 3.719 6.027 10.663 1.00 0.00 H new ATOM 325 N PRO A 24 4.662 0.339 12.979 1.00 0.00 N ATOM 326 CA PRO A 24 3.796 0.312 14.162 1.00 0.00 C ATOM 327 C PRO A 24 2.366 0.731 13.845 1.00 0.00 C ATOM 328 O PRO A 24 2.136 1.765 13.217 1.00 0.00 O ATOM 329 CB PRO A 24 4.454 1.323 15.105 1.00 0.00 C ATOM 330 CG PRO A 24 5.193 2.253 14.207 1.00 0.00 C ATOM 331 CD PRO A 24 5.655 1.424 13.040 1.00 0.00 C ATOM 0 HA PRO A 24 3.710 -0.690 14.581 1.00 0.00 H new ATOM 0 HB2 PRO A 24 3.709 1.854 15.698 1.00 0.00 H new ATOM 0 HB3 PRO A 24 5.128 0.830 15.806 1.00 0.00 H new ATOM 0 HG2 PRO A 24 4.550 3.069 13.876 1.00 0.00 H new ATOM 0 HG3 PRO A 24 6.040 2.704 14.724 1.00 0.00 H new ATOM 0 HD2 PRO A 24 5.674 2.004 12.117 1.00 0.00 H new ATOM 0 HD3 PRO A 24 6.663 1.038 13.195 1.00 0.00 H new ATOM 339 N GLY A 25 1.406 -0.078 14.284 1.00 0.00 N ATOM 340 CA GLY A 25 0.008 0.228 14.037 1.00 0.00 C ATOM 341 C GLY A 25 -0.509 -0.411 12.763 1.00 0.00 C ATOM 342 O GLY A 25 -1.598 -0.984 12.745 1.00 0.00 O ATOM 0 H GLY A 25 1.571 -0.939 14.806 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -0.590 -0.115 14.881 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -0.119 1.309 13.975 1.00 0.00 H new ATOM 346 N VAL A 26 0.274 -0.313 11.693 1.00 0.00 N ATOM 347 CA VAL A 26 -0.111 -0.887 10.409 1.00 0.00 C ATOM 348 C VAL A 26 -0.249 -2.402 10.502 1.00 0.00 C ATOM 349 O VAL A 26 0.745 -3.120 10.616 1.00 0.00 O ATOM 350 CB VAL A 26 0.914 -0.541 9.311 1.00 0.00 C ATOM 351 CG1 VAL A 26 0.468 -1.105 7.970 1.00 0.00 C ATOM 352 CG2 VAL A 26 1.116 0.964 9.226 1.00 0.00 C ATOM 0 H VAL A 26 1.179 0.158 11.690 1.00 0.00 H new ATOM 0 HA VAL A 26 -1.076 -0.454 10.145 1.00 0.00 H new ATOM 0 HB VAL A 26 1.869 -0.997 9.571 1.00 0.00 H new ATOM 0 HG11 VAL A 26 1.203 -0.852 7.206 1.00 0.00 H new ATOM 0 HG12 VAL A 26 0.379 -2.189 8.043 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -0.498 -0.679 7.699 1.00 0.00 H new ATOM 0 HG21 VAL A 26 1.843 1.190 8.446 1.00 0.00 H new ATOM 0 HG22 VAL A 26 0.167 1.446 8.989 1.00 0.00 H new ATOM 0 HG23 VAL A 26 1.483 1.336 10.182 1.00 0.00 H new ATOM 362 N HIS A 27 -1.487 -2.882 10.455 1.00 0.00 N ATOM 363 CA HIS A 27 -1.756 -4.313 10.533 1.00 0.00 C ATOM 364 C HIS A 27 -2.607 -4.772 9.353 1.00 0.00 C ATOM 365 O HIS A 27 -3.831 -4.859 9.453 1.00 0.00 O ATOM 366 CB HIS A 27 -2.461 -4.650 11.847 1.00 0.00 C ATOM 367 CG HIS A 27 -3.778 -3.957 12.015 1.00 0.00 C ATOM 368 ND1 HIS A 27 -3.890 -2.647 12.431 1.00 0.00 N ATOM 369 CD2 HIS A 27 -5.042 -4.398 11.819 1.00 0.00 C ATOM 370 CE1 HIS A 27 -5.168 -2.313 12.485 1.00 0.00 C ATOM 371 NE2 HIS A 27 -5.888 -3.357 12.118 1.00 0.00 N ATOM 0 H HIS A 27 -2.320 -2.301 10.363 1.00 0.00 H new ATOM 0 HA HIS A 27 -0.802 -4.839 10.496 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -2.617 -5.727 11.900 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -1.810 -4.381 12.679 1.00 0.00 H new ATOM 0 HD1 HIS A 27 -3.109 -2.032 12.661 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -5.332 -5.385 11.489 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -5.557 -1.349 12.779 1.00 0.00 H new ATOM 380 N VAL A 28 -1.951 -5.063 8.233 1.00 0.00 N ATOM 381 CA VAL A 28 -2.647 -5.512 7.034 1.00 0.00 C ATOM 382 C VAL A 28 -2.975 -6.999 7.114 1.00 0.00 C ATOM 383 O VAL A 28 -2.112 -7.848 6.891 1.00 0.00 O ATOM 384 CB VAL A 28 -1.811 -5.250 5.767 1.00 0.00 C ATOM 385 CG1 VAL A 28 -2.597 -5.624 4.521 1.00 0.00 C ATOM 386 CG2 VAL A 28 -1.370 -3.794 5.714 1.00 0.00 C ATOM 0 H VAL A 28 -0.938 -4.995 8.132 1.00 0.00 H new ATOM 0 HA VAL A 28 -3.573 -4.940 6.973 1.00 0.00 H new ATOM 0 HB VAL A 28 -0.919 -5.876 5.804 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -1.990 -5.432 3.636 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -2.858 -6.682 4.559 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -3.508 -5.027 4.473 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -0.780 -3.625 4.813 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -2.248 -3.148 5.700 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -0.765 -3.565 6.592 1.00 0.00 H new ATOM 396 N SER A 29 -4.228 -7.307 7.432 1.00 0.00 N ATOM 397 CA SER A 29 -4.670 -8.692 7.545 1.00 0.00 C ATOM 398 C SER A 29 -5.413 -9.129 6.285 1.00 0.00 C ATOM 399 O SER A 29 -5.547 -10.322 6.013 1.00 0.00 O ATOM 400 CB SER A 29 -5.573 -8.864 8.768 1.00 0.00 C ATOM 401 OG SER A 29 -5.822 -10.234 9.030 1.00 0.00 O ATOM 0 H SER A 29 -4.955 -6.616 7.616 1.00 0.00 H new ATOM 0 HA SER A 29 -3.787 -9.321 7.663 1.00 0.00 H new ATOM 0 HB2 SER A 29 -5.104 -8.404 9.638 1.00 0.00 H new ATOM 0 HB3 SER A 29 -6.517 -8.345 8.603 1.00 0.00 H new ATOM 0 HG SER A 29 -6.400 -10.317 9.817 1.00 0.00 H new ATOM 407 N ASP A 30 -5.895 -8.155 5.523 1.00 0.00 N ATOM 408 CA ASP A 30 -6.623 -8.437 4.291 1.00 0.00 C ATOM 409 C ASP A 30 -6.723 -7.188 3.420 1.00 0.00 C ATOM 410 O ASP A 30 -6.290 -6.105 3.817 1.00 0.00 O ATOM 411 CB ASP A 30 -8.023 -8.964 4.611 1.00 0.00 C ATOM 412 CG ASP A 30 -8.005 -10.407 5.076 1.00 0.00 C ATOM 413 OD1 ASP A 30 -7.727 -11.295 4.243 1.00 0.00 O ATOM 414 OD2 ASP A 30 -8.270 -10.649 6.272 1.00 0.00 O ATOM 0 H ASP A 30 -5.795 -7.163 5.736 1.00 0.00 H new ATOM 0 HA ASP A 30 -6.073 -9.199 3.739 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -8.475 -8.342 5.384 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -8.652 -8.878 3.725 1.00 0.00 H new ATOM 419 N LEU A 31 -7.295 -7.346 2.232 1.00 0.00 N ATOM 420 CA LEU A 31 -7.452 -6.232 1.304 1.00 0.00 C ATOM 421 C LEU A 31 -8.905 -5.769 1.248 1.00 0.00 C ATOM 422 O LEU A 31 -9.516 -5.735 0.180 1.00 0.00 O ATOM 423 CB LEU A 31 -6.980 -6.636 -0.094 1.00 0.00 C ATOM 424 CG LEU A 31 -5.475 -6.541 -0.348 1.00 0.00 C ATOM 425 CD1 LEU A 31 -4.743 -7.675 0.354 1.00 0.00 C ATOM 426 CD2 LEU A 31 -5.184 -6.559 -1.841 1.00 0.00 C ATOM 0 H LEU A 31 -7.658 -8.235 1.888 1.00 0.00 H new ATOM 0 HA LEU A 31 -6.840 -5.405 1.663 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -7.295 -7.663 -0.279 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -7.492 -6.009 -0.824 1.00 0.00 H new ATOM 0 HG LEU A 31 -5.116 -5.596 0.060 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -3.673 -7.591 0.162 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -4.925 -7.616 1.427 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -5.106 -8.631 -0.024 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -4.108 -6.491 -2.003 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -5.558 -7.487 -2.273 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -5.677 -5.712 -2.318 1.00 0.00 H new ATOM 438 N SER A 32 -9.451 -5.411 2.405 1.00 0.00 N ATOM 439 CA SER A 32 -10.833 -4.952 2.489 1.00 0.00 C ATOM 440 C SER A 32 -10.920 -3.630 3.246 1.00 0.00 C ATOM 441 O SER A 32 -11.186 -2.582 2.658 1.00 0.00 O ATOM 442 CB SER A 32 -11.702 -6.006 3.179 1.00 0.00 C ATOM 443 OG SER A 32 -13.050 -5.576 3.267 1.00 0.00 O ATOM 0 H SER A 32 -8.958 -5.430 3.298 1.00 0.00 H new ATOM 0 HA SER A 32 -11.201 -4.796 1.475 1.00 0.00 H new ATOM 0 HB2 SER A 32 -11.651 -6.943 2.625 1.00 0.00 H new ATOM 0 HB3 SER A 32 -11.314 -6.205 4.178 1.00 0.00 H new ATOM 0 HG SER A 32 -13.586 -6.267 3.710 1.00 0.00 H new ATOM 449 N SER A 33 -10.695 -3.688 4.555 1.00 0.00 N ATOM 450 CA SER A 33 -10.752 -2.497 5.394 1.00 0.00 C ATOM 451 C SER A 33 -9.407 -2.241 6.066 1.00 0.00 C ATOM 452 O SER A 33 -9.108 -1.119 6.475 1.00 0.00 O ATOM 453 CB SER A 33 -11.844 -2.647 6.454 1.00 0.00 C ATOM 454 OG SER A 33 -13.108 -2.257 5.944 1.00 0.00 O ATOM 0 H SER A 33 -10.472 -4.547 5.057 1.00 0.00 H new ATOM 0 HA SER A 33 -10.988 -1.645 4.757 1.00 0.00 H new ATOM 0 HB2 SER A 33 -11.888 -3.683 6.791 1.00 0.00 H new ATOM 0 HB3 SER A 33 -11.596 -2.039 7.324 1.00 0.00 H new ATOM 0 HG SER A 33 -13.789 -2.364 6.641 1.00 0.00 H new ATOM 460 N SER A 34 -8.599 -3.290 6.177 1.00 0.00 N ATOM 461 CA SER A 34 -7.286 -3.182 6.802 1.00 0.00 C ATOM 462 C SER A 34 -6.491 -2.027 6.201 1.00 0.00 C ATOM 463 O SER A 34 -5.649 -1.425 6.868 1.00 0.00 O ATOM 464 CB SER A 34 -6.509 -4.490 6.639 1.00 0.00 C ATOM 465 OG SER A 34 -6.957 -5.467 7.562 1.00 0.00 O ATOM 0 H SER A 34 -8.831 -4.225 5.842 1.00 0.00 H new ATOM 0 HA SER A 34 -7.433 -2.986 7.864 1.00 0.00 H new ATOM 0 HB2 SER A 34 -6.629 -4.864 5.622 1.00 0.00 H new ATOM 0 HB3 SER A 34 -5.445 -4.306 6.787 1.00 0.00 H new ATOM 0 HG SER A 34 -6.992 -6.342 7.121 1.00 0.00 H new ATOM 471 N TRP A 35 -6.764 -1.724 4.937 1.00 0.00 N ATOM 472 CA TRP A 35 -6.076 -0.642 4.245 1.00 0.00 C ATOM 473 C TRP A 35 -6.855 0.664 4.364 1.00 0.00 C ATOM 474 O TRP A 35 -6.320 1.743 4.108 1.00 0.00 O ATOM 475 CB TRP A 35 -5.877 -0.997 2.770 1.00 0.00 C ATOM 476 CG TRP A 35 -5.017 -2.207 2.562 1.00 0.00 C ATOM 477 CD1 TRP A 35 -5.378 -3.511 2.750 1.00 0.00 C ATOM 478 CD2 TRP A 35 -3.653 -2.225 2.129 1.00 0.00 C ATOM 479 NE1 TRP A 35 -4.320 -4.338 2.460 1.00 0.00 N ATOM 480 CE2 TRP A 35 -3.250 -3.574 2.075 1.00 0.00 C ATOM 481 CE3 TRP A 35 -2.732 -1.234 1.779 1.00 0.00 C ATOM 482 CZ2 TRP A 35 -1.968 -3.953 1.687 1.00 0.00 C ATOM 483 CZ3 TRP A 35 -1.460 -1.612 1.394 1.00 0.00 C ATOM 484 CH2 TRP A 35 -1.088 -2.962 1.350 1.00 0.00 C ATOM 0 H TRP A 35 -7.457 -2.213 4.371 1.00 0.00 H new ATOM 0 HA TRP A 35 -5.102 -0.507 4.715 1.00 0.00 H new ATOM 0 HB2 TRP A 35 -6.850 -1.168 2.310 1.00 0.00 H new ATOM 0 HB3 TRP A 35 -5.427 -0.147 2.257 1.00 0.00 H new ATOM 0 HD1 TRP A 35 -6.352 -3.843 3.078 1.00 0.00 H new ATOM 0 HE1 TRP A 35 -4.330 -5.356 2.521 1.00 0.00 H new ATOM 0 HE3 TRP A 35 -3.010 -0.191 1.809 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 -1.679 -4.993 1.653 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 -0.740 -0.854 1.122 1.00 0.00 H new ATOM 0 HH2 TRP A 35 -0.086 -3.225 1.044 1.00 0.00 H new ATOM 495 N ALA A 36 -8.121 0.559 4.754 1.00 0.00 N ATOM 496 CA ALA A 36 -8.972 1.733 4.911 1.00 0.00 C ATOM 497 C ALA A 36 -8.299 2.787 5.782 1.00 0.00 C ATOM 498 O ALA A 36 -8.187 3.949 5.391 1.00 0.00 O ATOM 499 CB ALA A 36 -10.315 1.334 5.503 1.00 0.00 C ATOM 0 H ALA A 36 -8.580 -0.327 4.967 1.00 0.00 H new ATOM 0 HA ALA A 36 -9.136 2.167 3.925 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -10.941 2.219 5.615 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -10.808 0.623 4.840 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -10.160 0.873 6.479 1.00 0.00 H new ATOM 505 N ASP A 37 -7.853 2.375 6.963 1.00 0.00 N ATOM 506 CA ASP A 37 -7.190 3.285 7.890 1.00 0.00 C ATOM 507 C ASP A 37 -6.348 4.310 7.137 1.00 0.00 C ATOM 508 O ASP A 37 -6.372 5.499 7.450 1.00 0.00 O ATOM 509 CB ASP A 37 -6.310 2.502 8.866 1.00 0.00 C ATOM 510 CG ASP A 37 -7.013 1.281 9.427 1.00 0.00 C ATOM 511 OD1 ASP A 37 -8.214 1.385 9.754 1.00 0.00 O ATOM 512 OD2 ASP A 37 -6.362 0.221 9.538 1.00 0.00 O ATOM 0 H ASP A 37 -7.938 1.417 7.302 1.00 0.00 H new ATOM 0 HA ASP A 37 -7.959 3.815 8.452 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -5.397 2.191 8.358 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -6.012 3.155 9.686 1.00 0.00 H new ATOM 517 N GLY A 38 -5.602 3.839 6.142 1.00 0.00 N ATOM 518 CA GLY A 38 -4.763 4.728 5.361 1.00 0.00 C ATOM 519 C GLY A 38 -3.285 4.465 5.573 1.00 0.00 C ATOM 520 O GLY A 38 -2.492 4.538 4.633 1.00 0.00 O ATOM 0 H GLY A 38 -5.564 2.858 5.863 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -5.002 4.612 4.304 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -4.987 5.761 5.627 1.00 0.00 H new ATOM 524 N LEU A 39 -2.912 4.159 6.811 1.00 0.00 N ATOM 525 CA LEU A 39 -1.518 3.886 7.145 1.00 0.00 C ATOM 526 C LEU A 39 -0.965 2.756 6.284 1.00 0.00 C ATOM 527 O LEU A 39 0.187 2.798 5.853 1.00 0.00 O ATOM 528 CB LEU A 39 -1.390 3.525 8.626 1.00 0.00 C ATOM 529 CG LEU A 39 -1.146 4.694 9.582 1.00 0.00 C ATOM 530 CD1 LEU A 39 -1.427 4.276 11.018 1.00 0.00 C ATOM 531 CD2 LEU A 39 0.280 5.207 9.443 1.00 0.00 C ATOM 0 H LEU A 39 -3.555 4.094 7.600 1.00 0.00 H new ATOM 0 HA LEU A 39 -0.938 4.787 6.946 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -2.301 3.013 8.935 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -0.571 2.814 8.737 1.00 0.00 H new ATOM 0 HG LEU A 39 -1.829 5.502 9.320 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -1.248 5.120 11.684 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -2.465 3.957 11.107 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -0.769 3.451 11.292 1.00 0.00 H new ATOM 0 HD21 LEU A 39 0.436 6.038 10.130 1.00 0.00 H new ATOM 0 HD22 LEU A 39 0.980 4.405 9.679 1.00 0.00 H new ATOM 0 HD23 LEU A 39 0.447 5.545 8.420 1.00 0.00 H new ATOM 543 N ALA A 40 -1.792 1.746 6.037 1.00 0.00 N ATOM 544 CA ALA A 40 -1.386 0.606 5.225 1.00 0.00 C ATOM 545 C ALA A 40 -0.586 1.057 4.007 1.00 0.00 C ATOM 546 O ALA A 40 0.578 0.686 3.845 1.00 0.00 O ATOM 547 CB ALA A 40 -2.606 -0.193 4.791 1.00 0.00 C ATOM 0 H ALA A 40 -2.748 1.694 6.388 1.00 0.00 H new ATOM 0 HA ALA A 40 -0.744 -0.032 5.833 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -2.288 -1.042 4.185 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -3.137 -0.554 5.672 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -3.268 0.444 4.205 1.00 0.00 H new ATOM 553 N LEU A 41 -1.215 1.858 3.155 1.00 0.00 N ATOM 554 CA LEU A 41 -0.560 2.358 1.952 1.00 0.00 C ATOM 555 C LEU A 41 0.680 3.172 2.305 1.00 0.00 C ATOM 556 O LEU A 41 1.682 3.137 1.589 1.00 0.00 O ATOM 557 CB LEU A 41 -1.532 3.216 1.138 1.00 0.00 C ATOM 558 CG LEU A 41 -2.364 2.476 0.090 1.00 0.00 C ATOM 559 CD1 LEU A 41 -3.615 3.270 -0.255 1.00 0.00 C ATOM 560 CD2 LEU A 41 -1.538 2.212 -1.158 1.00 0.00 C ATOM 0 H LEU A 41 -2.177 2.175 3.275 1.00 0.00 H new ATOM 0 HA LEU A 41 -0.251 1.501 1.353 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -2.213 3.713 1.829 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -0.962 3.997 0.635 1.00 0.00 H new ATOM 0 HG LEU A 41 -2.670 1.517 0.508 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -4.195 2.728 -1.002 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -4.218 3.407 0.643 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -3.330 4.244 -0.653 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -2.147 1.685 -1.892 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -1.201 3.160 -1.579 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -0.672 1.602 -0.899 1.00 0.00 H new ATOM 572 N CYS A 42 0.607 3.902 3.412 1.00 0.00 N ATOM 573 CA CYS A 42 1.726 4.724 3.862 1.00 0.00 C ATOM 574 C CYS A 42 2.963 3.868 4.111 1.00 0.00 C ATOM 575 O CYS A 42 4.026 4.116 3.544 1.00 0.00 O ATOM 576 CB CYS A 42 1.348 5.481 5.136 1.00 0.00 C ATOM 577 SG CYS A 42 -0.221 6.372 5.028 1.00 0.00 S ATOM 0 H CYS A 42 -0.215 3.942 4.015 1.00 0.00 H new ATOM 0 HA CYS A 42 1.957 5.443 3.076 1.00 0.00 H new ATOM 0 HB2 CYS A 42 1.296 4.774 5.964 1.00 0.00 H new ATOM 0 HB3 CYS A 42 2.141 6.191 5.373 1.00 0.00 H new ATOM 0 HG CYS A 42 -1.188 5.526 4.831 1.00 0.00 H new ATOM 583 N ALA A 43 2.816 2.860 4.966 1.00 0.00 N ATOM 584 CA ALA A 43 3.922 1.968 5.291 1.00 0.00 C ATOM 585 C ALA A 43 4.535 1.369 4.028 1.00 0.00 C ATOM 586 O ALA A 43 5.736 1.496 3.788 1.00 0.00 O ATOM 587 CB ALA A 43 3.452 0.864 6.225 1.00 0.00 C ATOM 0 H ALA A 43 1.943 2.641 5.445 1.00 0.00 H new ATOM 0 HA ALA A 43 4.691 2.553 5.795 1.00 0.00 H new ATOM 0 HB1 ALA A 43 4.288 0.205 6.459 1.00 0.00 H new ATOM 0 HB2 ALA A 43 3.068 1.305 7.145 1.00 0.00 H new ATOM 0 HB3 ALA A 43 2.662 0.290 5.741 1.00 0.00 H new ATOM 593 N LEU A 44 3.701 0.717 3.225 1.00 0.00 N ATOM 594 CA LEU A 44 4.161 0.098 1.986 1.00 0.00 C ATOM 595 C LEU A 44 5.000 1.074 1.169 1.00 0.00 C ATOM 596 O LEU A 44 6.040 0.708 0.621 1.00 0.00 O ATOM 597 CB LEU A 44 2.967 -0.382 1.160 1.00 0.00 C ATOM 598 CG LEU A 44 3.259 -0.736 -0.299 1.00 0.00 C ATOM 599 CD1 LEU A 44 4.023 -2.049 -0.386 1.00 0.00 C ATOM 600 CD2 LEU A 44 1.966 -0.816 -1.098 1.00 0.00 C ATOM 0 H LEU A 44 2.704 0.603 3.409 1.00 0.00 H new ATOM 0 HA LEU A 44 4.784 -0.758 2.245 1.00 0.00 H new ATOM 0 HB2 LEU A 44 2.542 -1.259 1.648 1.00 0.00 H new ATOM 0 HB3 LEU A 44 2.202 0.394 1.179 1.00 0.00 H new ATOM 0 HG LEU A 44 3.879 0.052 -0.727 1.00 0.00 H new ATOM 0 HD11 LEU A 44 4.222 -2.285 -1.431 1.00 0.00 H new ATOM 0 HD12 LEU A 44 4.967 -1.957 0.152 1.00 0.00 H new ATOM 0 HD13 LEU A 44 3.428 -2.846 0.059 1.00 0.00 H new ATOM 0 HD21 LEU A 44 2.193 -1.069 -2.134 1.00 0.00 H new ATOM 0 HD22 LEU A 44 1.321 -1.583 -0.670 1.00 0.00 H new ATOM 0 HD23 LEU A 44 1.457 0.147 -1.063 1.00 0.00 H new ATOM 612 N VAL A 45 4.542 2.320 1.091 1.00 0.00 N ATOM 613 CA VAL A 45 5.252 3.350 0.343 1.00 0.00 C ATOM 614 C VAL A 45 6.577 3.699 1.010 1.00 0.00 C ATOM 615 O VAL A 45 7.643 3.553 0.411 1.00 0.00 O ATOM 616 CB VAL A 45 4.406 4.630 0.208 1.00 0.00 C ATOM 617 CG1 VAL A 45 5.168 5.696 -0.565 1.00 0.00 C ATOM 618 CG2 VAL A 45 3.077 4.321 -0.464 1.00 0.00 C ATOM 0 H VAL A 45 3.682 2.640 1.537 1.00 0.00 H new ATOM 0 HA VAL A 45 5.444 2.943 -0.650 1.00 0.00 H new ATOM 0 HB VAL A 45 4.202 5.016 1.207 1.00 0.00 H new ATOM 0 HG11 VAL A 45 4.554 6.593 -0.650 1.00 0.00 H new ATOM 0 HG12 VAL A 45 6.091 5.937 -0.038 1.00 0.00 H new ATOM 0 HG13 VAL A 45 5.405 5.323 -1.561 1.00 0.00 H new ATOM 0 HG21 VAL A 45 2.492 5.236 -0.551 1.00 0.00 H new ATOM 0 HG22 VAL A 45 3.258 3.910 -1.457 1.00 0.00 H new ATOM 0 HG23 VAL A 45 2.527 3.595 0.134 1.00 0.00 H new ATOM 628 N TYR A 46 6.504 4.159 2.253 1.00 0.00 N ATOM 629 CA TYR A 46 7.699 4.531 3.002 1.00 0.00 C ATOM 630 C TYR A 46 8.772 3.453 2.885 1.00 0.00 C ATOM 631 O TYR A 46 9.911 3.734 2.510 1.00 0.00 O ATOM 632 CB TYR A 46 7.352 4.763 4.474 1.00 0.00 C ATOM 633 CG TYR A 46 6.641 6.072 4.730 1.00 0.00 C ATOM 634 CD1 TYR A 46 7.252 7.286 4.439 1.00 0.00 C ATOM 635 CD2 TYR A 46 5.358 6.097 5.264 1.00 0.00 C ATOM 636 CE1 TYR A 46 6.608 8.485 4.671 1.00 0.00 C ATOM 637 CE2 TYR A 46 4.705 7.291 5.498 1.00 0.00 C ATOM 638 CZ TYR A 46 5.334 8.482 5.200 1.00 0.00 C ATOM 639 OH TYR A 46 4.686 9.674 5.434 1.00 0.00 O ATOM 0 H TYR A 46 5.630 4.284 2.764 1.00 0.00 H new ATOM 0 HA TYR A 46 8.090 5.456 2.578 1.00 0.00 H new ATOM 0 HB2 TYR A 46 6.724 3.944 4.824 1.00 0.00 H new ATOM 0 HB3 TYR A 46 8.269 4.736 5.063 1.00 0.00 H new ATOM 0 HD1 TYR A 46 8.249 7.292 4.024 1.00 0.00 H new ATOM 0 HD2 TYR A 46 4.863 5.166 5.500 1.00 0.00 H new ATOM 0 HE1 TYR A 46 7.098 9.419 4.440 1.00 0.00 H new ATOM 0 HE2 TYR A 46 3.707 7.292 5.912 1.00 0.00 H new ATOM 0 HH TYR A 46 4.391 10.058 4.582 1.00 0.00 H new ATOM 649 N ARG A 47 8.401 2.219 3.208 1.00 0.00 N ATOM 650 CA ARG A 47 9.331 1.099 3.141 1.00 0.00 C ATOM 651 C ARG A 47 9.950 0.989 1.750 1.00 0.00 C ATOM 652 O ARG A 47 11.168 1.080 1.593 1.00 0.00 O ATOM 653 CB ARG A 47 8.617 -0.207 3.497 1.00 0.00 C ATOM 654 CG ARG A 47 8.675 -0.548 4.977 1.00 0.00 C ATOM 655 CD ARG A 47 7.554 0.129 5.749 1.00 0.00 C ATOM 656 NE ARG A 47 7.932 0.407 7.132 1.00 0.00 N ATOM 657 CZ ARG A 47 8.608 1.488 7.506 1.00 0.00 C ATOM 658 NH1 ARG A 47 8.977 2.389 6.605 1.00 0.00 N ATOM 659 NH2 ARG A 47 8.916 1.672 8.784 1.00 0.00 N ATOM 0 H ARG A 47 7.462 1.969 3.519 1.00 0.00 H new ATOM 0 HA ARG A 47 10.128 1.278 3.862 1.00 0.00 H new ATOM 0 HB2 ARG A 47 7.574 -0.136 3.190 1.00 0.00 H new ATOM 0 HB3 ARG A 47 9.063 -1.022 2.927 1.00 0.00 H new ATOM 0 HG2 ARG A 47 8.606 -1.628 5.106 1.00 0.00 H new ATOM 0 HG3 ARG A 47 9.637 -0.239 5.385 1.00 0.00 H new ATOM 0 HD2 ARG A 47 7.284 1.061 5.253 1.00 0.00 H new ATOM 0 HD3 ARG A 47 6.669 -0.507 5.736 1.00 0.00 H new ATOM 0 HE ARG A 47 7.662 -0.265 7.850 1.00 0.00 H new ATOM 0 HH11 ARG A 47 8.742 2.253 5.622 1.00 0.00 H new ATOM 0 HH12 ARG A 47 9.496 3.218 6.895 1.00 0.00 H new ATOM 0 HH21 ARG A 47 8.634 0.983 9.481 1.00 0.00 H new ATOM 0 HH22 ARG A 47 9.435 2.503 9.069 1.00 0.00 H new ATOM 673 N LEU A 48 9.103 0.794 0.745 1.00 0.00 N ATOM 674 CA LEU A 48 9.567 0.673 -0.632 1.00 0.00 C ATOM 675 C LEU A 48 10.738 1.611 -0.898 1.00 0.00 C ATOM 676 O LEU A 48 11.683 1.257 -1.603 1.00 0.00 O ATOM 677 CB LEU A 48 8.424 0.977 -1.604 1.00 0.00 C ATOM 678 CG LEU A 48 7.514 -0.200 -1.958 1.00 0.00 C ATOM 679 CD1 LEU A 48 6.245 0.293 -2.637 1.00 0.00 C ATOM 680 CD2 LEU A 48 8.247 -1.193 -2.848 1.00 0.00 C ATOM 0 H LEU A 48 8.092 0.716 0.858 1.00 0.00 H new ATOM 0 HA LEU A 48 9.905 -0.352 -0.786 1.00 0.00 H new ATOM 0 HB2 LEU A 48 7.810 1.769 -1.175 1.00 0.00 H new ATOM 0 HB3 LEU A 48 8.852 1.369 -2.526 1.00 0.00 H new ATOM 0 HG LEU A 48 7.234 -0.709 -1.036 1.00 0.00 H new ATOM 0 HD11 LEU A 48 5.609 -0.558 -2.882 1.00 0.00 H new ATOM 0 HD12 LEU A 48 5.710 0.964 -1.965 1.00 0.00 H new ATOM 0 HD13 LEU A 48 6.505 0.826 -3.551 1.00 0.00 H new ATOM 0 HD21 LEU A 48 7.584 -2.024 -3.090 1.00 0.00 H new ATOM 0 HD22 LEU A 48 8.557 -0.697 -3.768 1.00 0.00 H new ATOM 0 HD23 LEU A 48 9.126 -1.571 -2.325 1.00 0.00 H new ATOM 692 N GLN A 49 10.671 2.810 -0.327 1.00 0.00 N ATOM 693 CA GLN A 49 11.729 3.799 -0.501 1.00 0.00 C ATOM 694 C GLN A 49 12.133 4.405 0.839 1.00 0.00 C ATOM 695 O GLN A 49 11.496 5.325 1.349 1.00 0.00 O ATOM 696 CB GLN A 49 11.270 4.903 -1.456 1.00 0.00 C ATOM 697 CG GLN A 49 11.594 4.620 -2.913 1.00 0.00 C ATOM 698 CD GLN A 49 10.997 5.648 -3.854 1.00 0.00 C ATOM 699 OE1 GLN A 49 10.229 5.309 -4.756 1.00 0.00 O ATOM 700 NE2 GLN A 49 11.347 6.912 -3.649 1.00 0.00 N ATOM 0 H GLN A 49 9.896 3.120 0.259 1.00 0.00 H new ATOM 0 HA GLN A 49 12.597 3.296 -0.928 1.00 0.00 H new ATOM 0 HB2 GLN A 49 10.193 5.038 -1.351 1.00 0.00 H new ATOM 0 HB3 GLN A 49 11.739 5.843 -1.164 1.00 0.00 H new ATOM 0 HG2 GLN A 49 12.676 4.599 -3.043 1.00 0.00 H new ATOM 0 HG3 GLN A 49 11.222 3.631 -3.178 1.00 0.00 H new ATOM 0 HE21 GLN A 49 11.986 7.148 -2.890 1.00 0.00 H new ATOM 0 HE22 GLN A 49 10.977 7.648 -4.251 1.00 0.00 H new ATOM 709 N PRO A 50 13.219 3.876 1.424 1.00 0.00 N ATOM 710 CA PRO A 50 13.733 4.349 2.712 1.00 0.00 C ATOM 711 C PRO A 50 14.343 5.744 2.615 1.00 0.00 C ATOM 712 O PRO A 50 14.754 6.323 3.620 1.00 0.00 O ATOM 713 CB PRO A 50 14.808 3.318 3.065 1.00 0.00 C ATOM 714 CG PRO A 50 15.246 2.763 1.754 1.00 0.00 C ATOM 715 CD PRO A 50 14.028 2.776 0.872 1.00 0.00 C ATOM 0 HA PRO A 50 12.944 4.435 3.459 1.00 0.00 H new ATOM 0 HB2 PRO A 50 15.640 3.780 3.597 1.00 0.00 H new ATOM 0 HB3 PRO A 50 14.410 2.537 3.712 1.00 0.00 H new ATOM 0 HG2 PRO A 50 16.046 3.365 1.323 1.00 0.00 H new ATOM 0 HG3 PRO A 50 15.634 1.751 1.869 1.00 0.00 H new ATOM 0 HD2 PRO A 50 14.289 2.954 -0.171 1.00 0.00 H new ATOM 0 HD3 PRO A 50 13.494 1.826 0.910 1.00 0.00 H new ATOM 723 N GLY A 51 14.400 6.277 1.399 1.00 0.00 N ATOM 724 CA GLY A 51 14.962 7.600 1.194 1.00 0.00 C ATOM 725 C GLY A 51 13.950 8.702 1.434 1.00 0.00 C ATOM 726 O GLY A 51 14.289 9.762 1.964 1.00 0.00 O ATOM 0 H GLY A 51 14.067 5.817 0.552 1.00 0.00 H new ATOM 0 HA2 GLY A 51 15.811 7.739 1.863 1.00 0.00 H new ATOM 0 HA3 GLY A 51 15.343 7.676 0.176 1.00 0.00 H new ATOM 730 N LEU A 52 12.705 8.456 1.044 1.00 0.00 N ATOM 731 CA LEU A 52 11.640 9.438 1.220 1.00 0.00 C ATOM 732 C LEU A 52 11.436 9.763 2.695 1.00 0.00 C ATOM 733 O LEU A 52 11.769 8.963 3.571 1.00 0.00 O ATOM 734 CB LEU A 52 10.335 8.916 0.615 1.00 0.00 C ATOM 735 CG LEU A 52 10.137 9.170 -0.879 1.00 0.00 C ATOM 736 CD1 LEU A 52 9.317 8.053 -1.507 1.00 0.00 C ATOM 737 CD2 LEU A 52 9.468 10.518 -1.107 1.00 0.00 C ATOM 0 H LEU A 52 12.407 7.585 0.604 1.00 0.00 H new ATOM 0 HA LEU A 52 11.933 10.352 0.704 1.00 0.00 H new ATOM 0 HB2 LEU A 52 10.281 7.842 0.790 1.00 0.00 H new ATOM 0 HB3 LEU A 52 9.502 9.369 1.153 1.00 0.00 H new ATOM 0 HG LEU A 52 11.116 9.187 -1.358 1.00 0.00 H new ATOM 0 HD11 LEU A 52 9.187 8.251 -2.571 1.00 0.00 H new ATOM 0 HD12 LEU A 52 9.835 7.103 -1.376 1.00 0.00 H new ATOM 0 HD13 LEU A 52 8.341 8.003 -1.025 1.00 0.00 H new ATOM 0 HD21 LEU A 52 9.335 10.682 -2.176 1.00 0.00 H new ATOM 0 HD22 LEU A 52 8.496 10.530 -0.614 1.00 0.00 H new ATOM 0 HD23 LEU A 52 10.094 11.309 -0.694 1.00 0.00 H new ATOM 749 N LEU A 53 10.887 10.943 2.964 1.00 0.00 N ATOM 750 CA LEU A 53 10.636 11.375 4.336 1.00 0.00 C ATOM 751 C LEU A 53 9.939 10.277 5.134 1.00 0.00 C ATOM 752 O LEU A 53 9.614 9.219 4.597 1.00 0.00 O ATOM 753 CB LEU A 53 9.786 12.646 4.343 1.00 0.00 C ATOM 754 CG LEU A 53 8.318 12.474 3.948 1.00 0.00 C ATOM 755 CD1 LEU A 53 8.184 11.456 2.825 1.00 0.00 C ATOM 756 CD2 LEU A 53 7.487 12.056 5.152 1.00 0.00 C ATOM 0 H LEU A 53 10.607 11.617 2.252 1.00 0.00 H new ATOM 0 HA LEU A 53 11.596 11.585 4.807 1.00 0.00 H new ATOM 0 HB2 LEU A 53 9.824 13.079 5.342 1.00 0.00 H new ATOM 0 HB3 LEU A 53 10.242 13.368 3.665 1.00 0.00 H new ATOM 0 HG LEU A 53 7.943 13.432 3.589 1.00 0.00 H new ATOM 0 HD11 LEU A 53 7.133 11.346 2.557 1.00 0.00 H new ATOM 0 HD12 LEU A 53 8.747 11.797 1.956 1.00 0.00 H new ATOM 0 HD13 LEU A 53 8.576 10.495 3.157 1.00 0.00 H new ATOM 0 HD21 LEU A 53 6.446 11.938 4.852 1.00 0.00 H new ATOM 0 HD22 LEU A 53 7.862 11.109 5.542 1.00 0.00 H new ATOM 0 HD23 LEU A 53 7.558 12.820 5.926 1.00 0.00 H new ATOM 768 N GLU A 54 9.712 10.539 6.417 1.00 0.00 N ATOM 769 CA GLU A 54 9.051 9.574 7.288 1.00 0.00 C ATOM 770 C GLU A 54 7.670 10.072 7.704 1.00 0.00 C ATOM 771 O GLU A 54 7.371 11.265 7.650 1.00 0.00 O ATOM 772 CB GLU A 54 9.904 9.305 8.529 1.00 0.00 C ATOM 773 CG GLU A 54 10.977 8.252 8.313 1.00 0.00 C ATOM 774 CD GLU A 54 10.399 6.884 8.004 1.00 0.00 C ATOM 775 OE1 GLU A 54 9.924 6.686 6.865 1.00 0.00 O ATOM 776 OE2 GLU A 54 10.417 6.014 8.899 1.00 0.00 O ATOM 0 H GLU A 54 9.976 11.411 6.876 1.00 0.00 H new ATOM 0 HA GLU A 54 8.930 8.645 6.731 1.00 0.00 H new ATOM 0 HB2 GLU A 54 10.378 10.235 8.843 1.00 0.00 H new ATOM 0 HB3 GLU A 54 9.254 8.987 9.344 1.00 0.00 H new ATOM 0 HG2 GLU A 54 11.625 8.562 7.493 1.00 0.00 H new ATOM 0 HG3 GLU A 54 11.600 8.186 9.205 1.00 0.00 H new ATOM 783 N PRO A 55 6.808 9.137 8.130 1.00 0.00 N ATOM 784 CA PRO A 55 5.444 9.457 8.564 1.00 0.00 C ATOM 785 C PRO A 55 5.421 10.220 9.884 1.00 0.00 C ATOM 786 O PRO A 55 4.357 10.455 10.457 1.00 0.00 O ATOM 787 CB PRO A 55 4.794 8.082 8.731 1.00 0.00 C ATOM 788 CG PRO A 55 5.929 7.155 8.998 1.00 0.00 C ATOM 789 CD PRO A 55 7.097 7.697 8.221 1.00 0.00 C ATOM 0 HA PRO A 55 4.930 10.103 7.852 1.00 0.00 H new ATOM 0 HB2 PRO A 55 4.079 8.080 9.554 1.00 0.00 H new ATOM 0 HB3 PRO A 55 4.248 7.791 7.834 1.00 0.00 H new ATOM 0 HG2 PRO A 55 6.155 7.112 10.063 1.00 0.00 H new ATOM 0 HG3 PRO A 55 5.687 6.140 8.682 1.00 0.00 H new ATOM 0 HD2 PRO A 55 8.041 7.508 8.731 1.00 0.00 H new ATOM 0 HD3 PRO A 55 7.171 7.239 7.235 1.00 0.00 H new ATOM 797 N SER A 56 6.600 10.605 10.361 1.00 0.00 N ATOM 798 CA SER A 56 6.714 11.340 11.616 1.00 0.00 C ATOM 799 C SER A 56 5.477 12.198 11.857 1.00 0.00 C ATOM 800 O SER A 56 4.997 12.309 12.985 1.00 0.00 O ATOM 801 CB SER A 56 7.965 12.221 11.604 1.00 0.00 C ATOM 802 OG SER A 56 9.133 11.446 11.390 1.00 0.00 O ATOM 0 H SER A 56 7.490 10.420 9.898 1.00 0.00 H new ATOM 0 HA SER A 56 6.796 10.616 12.426 1.00 0.00 H new ATOM 0 HB2 SER A 56 7.876 12.974 10.821 1.00 0.00 H new ATOM 0 HB3 SER A 56 8.047 12.754 12.551 1.00 0.00 H new ATOM 0 HG SER A 56 9.918 12.032 11.385 1.00 0.00 H new ATOM 808 N GLU A 57 4.965 12.803 10.789 1.00 0.00 N ATOM 809 CA GLU A 57 3.784 13.652 10.885 1.00 0.00 C ATOM 810 C GLU A 57 2.508 12.817 10.830 1.00 0.00 C ATOM 811 O GLU A 57 1.588 13.013 11.626 1.00 0.00 O ATOM 812 CB GLU A 57 3.779 14.687 9.759 1.00 0.00 C ATOM 813 CG GLU A 57 5.094 15.434 9.613 1.00 0.00 C ATOM 814 CD GLU A 57 5.420 16.282 10.828 1.00 0.00 C ATOM 815 OE1 GLU A 57 6.005 15.739 11.789 1.00 0.00 O ATOM 816 OE2 GLU A 57 5.090 17.486 10.818 1.00 0.00 O ATOM 0 H GLU A 57 5.350 12.721 9.848 1.00 0.00 H new ATOM 0 HA GLU A 57 3.817 14.170 11.843 1.00 0.00 H new ATOM 0 HB2 GLU A 57 3.549 14.187 8.818 1.00 0.00 H new ATOM 0 HB3 GLU A 57 2.981 15.406 9.942 1.00 0.00 H new ATOM 0 HG2 GLU A 57 5.899 14.717 9.448 1.00 0.00 H new ATOM 0 HG3 GLU A 57 5.049 16.072 8.730 1.00 0.00 H new ATOM 823 N LEU A 58 2.458 11.884 9.884 1.00 0.00 N ATOM 824 CA LEU A 58 1.296 11.019 9.724 1.00 0.00 C ATOM 825 C LEU A 58 0.891 10.396 11.055 1.00 0.00 C ATOM 826 O LEU A 58 -0.269 10.042 11.259 1.00 0.00 O ATOM 827 CB LEU A 58 1.592 9.919 8.702 1.00 0.00 C ATOM 828 CG LEU A 58 1.281 10.258 7.243 1.00 0.00 C ATOM 829 CD1 LEU A 58 2.183 11.379 6.752 1.00 0.00 C ATOM 830 CD2 LEU A 58 1.434 9.024 6.365 1.00 0.00 C ATOM 0 H LEU A 58 3.209 11.708 9.217 1.00 0.00 H new ATOM 0 HA LEU A 58 0.468 11.629 9.364 1.00 0.00 H new ATOM 0 HB2 LEU A 58 2.647 9.656 8.776 1.00 0.00 H new ATOM 0 HB3 LEU A 58 1.022 9.032 8.978 1.00 0.00 H new ATOM 0 HG LEU A 58 0.247 10.598 7.181 1.00 0.00 H new ATOM 0 HD11 LEU A 58 1.947 11.607 5.712 1.00 0.00 H new ATOM 0 HD12 LEU A 58 2.024 12.268 7.363 1.00 0.00 H new ATOM 0 HD13 LEU A 58 3.225 11.068 6.828 1.00 0.00 H new ATOM 0 HD21 LEU A 58 1.209 9.283 5.330 1.00 0.00 H new ATOM 0 HD22 LEU A 58 2.457 8.654 6.432 1.00 0.00 H new ATOM 0 HD23 LEU A 58 0.746 8.249 6.703 1.00 0.00 H new ATOM 842 N GLN A 59 1.857 10.266 11.959 1.00 0.00 N ATOM 843 CA GLN A 59 1.601 9.688 13.273 1.00 0.00 C ATOM 844 C GLN A 59 0.607 10.537 14.058 1.00 0.00 C ATOM 845 O GLN A 59 0.992 11.326 14.918 1.00 0.00 O ATOM 846 CB GLN A 59 2.907 9.555 14.058 1.00 0.00 C ATOM 847 CG GLN A 59 3.844 8.492 13.505 1.00 0.00 C ATOM 848 CD GLN A 59 3.530 7.105 14.031 1.00 0.00 C ATOM 849 OE1 GLN A 59 2.492 6.887 14.655 1.00 0.00 O ATOM 850 NE2 GLN A 59 4.427 6.160 13.781 1.00 0.00 N ATOM 0 H GLN A 59 2.824 10.553 11.805 1.00 0.00 H new ATOM 0 HA GLN A 59 1.169 8.698 13.128 1.00 0.00 H new ATOM 0 HB2 GLN A 59 3.421 10.516 14.058 1.00 0.00 H new ATOM 0 HB3 GLN A 59 2.675 9.318 15.096 1.00 0.00 H new ATOM 0 HG2 GLN A 59 3.779 8.487 12.417 1.00 0.00 H new ATOM 0 HG3 GLN A 59 4.871 8.750 13.762 1.00 0.00 H new ATOM 0 HE21 GLN A 59 5.274 6.386 13.260 1.00 0.00 H new ATOM 0 HE22 GLN A 59 4.270 5.208 14.110 1.00 0.00 H new ATOM 859 N GLY A 60 -0.677 10.368 13.754 1.00 0.00 N ATOM 860 CA GLY A 60 -1.707 11.126 14.439 1.00 0.00 C ATOM 861 C GLY A 60 -2.722 11.721 13.484 1.00 0.00 C ATOM 862 O GLY A 60 -3.878 11.936 13.850 1.00 0.00 O ATOM 0 H GLY A 60 -1.021 9.720 13.046 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -2.219 10.477 15.150 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -1.242 11.926 15.015 1.00 0.00 H new ATOM 866 N LEU A 61 -2.290 11.989 12.256 1.00 0.00 N ATOM 867 CA LEU A 61 -3.169 12.565 11.245 1.00 0.00 C ATOM 868 C LEU A 61 -4.471 11.777 11.142 1.00 0.00 C ATOM 869 O LEU A 61 -4.609 10.707 11.733 1.00 0.00 O ATOM 870 CB LEU A 61 -2.467 12.592 9.887 1.00 0.00 C ATOM 871 CG LEU A 61 -1.649 13.847 9.579 1.00 0.00 C ATOM 872 CD1 LEU A 61 -1.015 13.747 8.200 1.00 0.00 C ATOM 873 CD2 LEU A 61 -2.520 15.090 9.678 1.00 0.00 C ATOM 0 H LEU A 61 -1.337 11.816 11.937 1.00 0.00 H new ATOM 0 HA LEU A 61 -3.407 13.586 11.545 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -1.806 11.727 9.825 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -3.221 12.474 9.108 1.00 0.00 H new ATOM 0 HG LEU A 61 -0.852 13.927 10.318 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -0.437 14.649 7.999 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -0.357 12.879 8.164 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -1.796 13.641 7.447 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -1.921 15.973 9.456 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -3.339 15.018 8.963 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -2.925 15.171 10.687 1.00 0.00 H new ATOM 885 N GLY A 62 -5.424 12.312 10.384 1.00 0.00 N ATOM 886 CA GLY A 62 -6.700 11.644 10.215 1.00 0.00 C ATOM 887 C GLY A 62 -6.602 10.423 9.321 1.00 0.00 C ATOM 888 O GLY A 62 -5.818 10.402 8.373 1.00 0.00 O ATOM 0 H GLY A 62 -5.334 13.197 9.884 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -7.083 11.346 11.191 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -7.420 12.344 9.791 1.00 0.00 H new ATOM 892 N ALA A 63 -7.400 9.404 9.625 1.00 0.00 N ATOM 893 CA ALA A 63 -7.400 8.175 8.841 1.00 0.00 C ATOM 894 C ALA A 63 -7.310 8.475 7.349 1.00 0.00 C ATOM 895 O ALA A 63 -6.724 7.707 6.584 1.00 0.00 O ATOM 896 CB ALA A 63 -8.646 7.357 9.144 1.00 0.00 C ATOM 0 H ALA A 63 -8.054 9.406 10.408 1.00 0.00 H new ATOM 0 HA ALA A 63 -6.521 7.594 9.120 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -8.633 6.442 8.552 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -8.666 7.103 10.204 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -9.533 7.939 8.894 1.00 0.00 H new ATOM 902 N LEU A 64 -7.896 9.595 6.940 1.00 0.00 N ATOM 903 CA LEU A 64 -7.883 9.996 5.537 1.00 0.00 C ATOM 904 C LEU A 64 -6.591 10.729 5.191 1.00 0.00 C ATOM 905 O LEU A 64 -5.876 10.342 4.267 1.00 0.00 O ATOM 906 CB LEU A 64 -9.087 10.891 5.231 1.00 0.00 C ATOM 907 CG LEU A 64 -9.652 10.794 3.814 1.00 0.00 C ATOM 908 CD1 LEU A 64 -9.996 9.352 3.473 1.00 0.00 C ATOM 909 CD2 LEU A 64 -10.876 11.685 3.666 1.00 0.00 C ATOM 0 H LEU A 64 -8.386 10.241 7.559 1.00 0.00 H new ATOM 0 HA LEU A 64 -7.942 9.095 4.927 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -9.883 10.649 5.935 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -8.801 11.926 5.417 1.00 0.00 H new ATOM 0 HG LEU A 64 -8.889 11.139 3.116 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -10.397 9.303 2.461 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -9.097 8.739 3.538 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -10.741 8.980 4.176 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -11.265 11.603 2.651 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -11.642 11.371 4.375 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -10.599 12.720 3.866 1.00 0.00 H new ATOM 921 N GLU A 65 -6.297 11.786 5.942 1.00 0.00 N ATOM 922 CA GLU A 65 -5.089 12.570 5.716 1.00 0.00 C ATOM 923 C GLU A 65 -3.908 11.665 5.375 1.00 0.00 C ATOM 924 O GLU A 65 -3.030 12.038 4.598 1.00 0.00 O ATOM 925 CB GLU A 65 -4.761 13.411 6.951 1.00 0.00 C ATOM 926 CG GLU A 65 -5.785 14.497 7.237 1.00 0.00 C ATOM 927 CD GLU A 65 -5.729 15.631 6.232 1.00 0.00 C ATOM 928 OE1 GLU A 65 -5.864 15.357 5.021 1.00 0.00 O ATOM 929 OE2 GLU A 65 -5.550 16.792 6.656 1.00 0.00 O ATOM 0 H GLU A 65 -6.878 12.119 6.711 1.00 0.00 H new ATOM 0 HA GLU A 65 -5.271 13.234 4.871 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -4.688 12.755 7.818 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -3.782 13.872 6.817 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -6.784 14.060 7.231 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -5.617 14.895 8.238 1.00 0.00 H new ATOM 936 N ALA A 66 -3.895 10.473 5.964 1.00 0.00 N ATOM 937 CA ALA A 66 -2.824 9.514 5.722 1.00 0.00 C ATOM 938 C ALA A 66 -2.824 9.044 4.272 1.00 0.00 C ATOM 939 O ALA A 66 -1.906 9.348 3.509 1.00 0.00 O ATOM 940 CB ALA A 66 -2.957 8.327 6.664 1.00 0.00 C ATOM 0 H ALA A 66 -4.613 10.149 6.611 1.00 0.00 H new ATOM 0 HA ALA A 66 -1.874 10.012 5.914 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -2.151 7.619 6.473 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -2.899 8.673 7.696 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -3.917 7.838 6.499 1.00 0.00 H new ATOM 946 N THR A 67 -3.861 8.301 3.895 1.00 0.00 N ATOM 947 CA THR A 67 -3.979 7.787 2.536 1.00 0.00 C ATOM 948 C THR A 67 -3.578 8.843 1.513 1.00 0.00 C ATOM 949 O THR A 67 -2.976 8.529 0.486 1.00 0.00 O ATOM 950 CB THR A 67 -5.415 7.318 2.237 1.00 0.00 C ATOM 951 OG1 THR A 67 -5.841 6.380 3.231 1.00 0.00 O ATOM 952 CG2 THR A 67 -5.499 6.677 0.860 1.00 0.00 C ATOM 0 H THR A 67 -4.631 8.042 4.512 1.00 0.00 H new ATOM 0 HA THR A 67 -3.303 6.936 2.459 1.00 0.00 H new ATOM 0 HB THR A 67 -6.069 8.190 2.256 1.00 0.00 H new ATOM 0 HG1 THR A 67 -6.480 5.752 2.835 1.00 0.00 H new ATOM 0 HG21 THR A 67 -6.523 6.354 0.671 1.00 0.00 H new ATOM 0 HG22 THR A 67 -5.202 7.402 0.102 1.00 0.00 H new ATOM 0 HG23 THR A 67 -4.833 5.815 0.819 1.00 0.00 H new ATOM 960 N ALA A 68 -3.915 10.096 1.799 1.00 0.00 N ATOM 961 CA ALA A 68 -3.587 11.199 0.904 1.00 0.00 C ATOM 962 C ALA A 68 -2.107 11.190 0.541 1.00 0.00 C ATOM 963 O ALA A 68 -1.747 11.196 -0.637 1.00 0.00 O ATOM 964 CB ALA A 68 -3.967 12.528 1.542 1.00 0.00 C ATOM 0 H ALA A 68 -4.415 10.373 2.644 1.00 0.00 H new ATOM 0 HA ALA A 68 -4.161 11.071 -0.014 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -3.716 13.343 0.863 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -5.038 12.541 1.745 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -3.419 12.653 2.476 1.00 0.00 H new ATOM 970 N TRP A 69 -1.252 11.175 1.557 1.00 0.00 N ATOM 971 CA TRP A 69 0.190 11.166 1.344 1.00 0.00 C ATOM 972 C TRP A 69 0.611 9.953 0.522 1.00 0.00 C ATOM 973 O TRP A 69 1.171 10.092 -0.566 1.00 0.00 O ATOM 974 CB TRP A 69 0.925 11.168 2.685 1.00 0.00 C ATOM 975 CG TRP A 69 2.411 11.036 2.548 1.00 0.00 C ATOM 976 CD1 TRP A 69 3.316 12.052 2.425 1.00 0.00 C ATOM 977 CD2 TRP A 69 3.166 9.819 2.521 1.00 0.00 C ATOM 978 NE1 TRP A 69 4.587 11.540 2.321 1.00 0.00 N ATOM 979 CE2 TRP A 69 4.522 10.173 2.378 1.00 0.00 C ATOM 980 CE3 TRP A 69 2.828 8.466 2.604 1.00 0.00 C ATOM 981 CZ2 TRP A 69 5.536 9.221 2.316 1.00 0.00 C ATOM 982 CZ3 TRP A 69 3.835 7.523 2.543 1.00 0.00 C ATOM 983 CH2 TRP A 69 5.176 7.904 2.400 1.00 0.00 C ATOM 0 H TRP A 69 -1.533 11.169 2.538 1.00 0.00 H new ATOM 0 HA TRP A 69 0.456 12.067 0.791 1.00 0.00 H new ATOM 0 HB2 TRP A 69 0.697 12.093 3.215 1.00 0.00 H new ATOM 0 HB3 TRP A 69 0.550 10.349 3.298 1.00 0.00 H new ATOM 0 HD1 TRP A 69 3.069 13.103 2.411 1.00 0.00 H new ATOM 0 HE1 TRP A 69 5.440 12.089 2.218 1.00 0.00 H new ATOM 0 HE3 TRP A 69 1.797 8.163 2.714 1.00 0.00 H new ATOM 0 HZ2 TRP A 69 6.570 9.512 2.206 1.00 0.00 H new ATOM 0 HZ3 TRP A 69 3.585 6.474 2.607 1.00 0.00 H new ATOM 0 HH2 TRP A 69 5.941 7.143 2.355 1.00 0.00 H new ATOM 994 N ALA A 70 0.338 8.763 1.048 1.00 0.00 N ATOM 995 CA ALA A 70 0.687 7.526 0.361 1.00 0.00 C ATOM 996 C ALA A 70 0.422 7.636 -1.136 1.00 0.00 C ATOM 997 O ALA A 70 1.305 7.376 -1.955 1.00 0.00 O ATOM 998 CB ALA A 70 -0.090 6.357 0.951 1.00 0.00 C ATOM 0 H ALA A 70 -0.124 8.630 1.948 1.00 0.00 H new ATOM 0 HA ALA A 70 1.753 7.349 0.503 1.00 0.00 H new ATOM 0 HB1 ALA A 70 0.181 5.440 0.428 1.00 0.00 H new ATOM 0 HB2 ALA A 70 0.152 6.257 2.009 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -1.159 6.537 0.838 1.00 0.00 H new ATOM 1004 N LEU A 71 -0.799 8.023 -1.490 1.00 0.00 N ATOM 1005 CA LEU A 71 -1.180 8.167 -2.890 1.00 0.00 C ATOM 1006 C LEU A 71 -0.317 9.216 -3.585 1.00 0.00 C ATOM 1007 O LEU A 71 -0.081 9.142 -4.791 1.00 0.00 O ATOM 1008 CB LEU A 71 -2.657 8.551 -3.001 1.00 0.00 C ATOM 1009 CG LEU A 71 -3.662 7.419 -2.790 1.00 0.00 C ATOM 1010 CD1 LEU A 71 -4.965 7.960 -2.222 1.00 0.00 C ATOM 1011 CD2 LEU A 71 -3.914 6.679 -4.096 1.00 0.00 C ATOM 0 H LEU A 71 -1.542 8.243 -0.826 1.00 0.00 H new ATOM 0 HA LEU A 71 -1.022 7.208 -3.384 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -2.864 9.334 -2.272 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -2.827 8.981 -3.988 1.00 0.00 H new ATOM 0 HG LEU A 71 -3.241 6.715 -2.072 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -5.668 7.139 -2.079 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -4.772 8.444 -1.264 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -5.391 8.685 -2.915 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -4.632 5.876 -3.927 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -4.313 7.373 -4.836 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -2.978 6.257 -4.462 1.00 0.00 H new ATOM 1023 N LYS A 72 0.152 10.192 -2.815 1.00 0.00 N ATOM 1024 CA LYS A 72 0.992 11.256 -3.353 1.00 0.00 C ATOM 1025 C LYS A 72 2.413 10.757 -3.594 1.00 0.00 C ATOM 1026 O LYS A 72 2.843 10.605 -4.736 1.00 0.00 O ATOM 1027 CB LYS A 72 1.014 12.450 -2.397 1.00 0.00 C ATOM 1028 CG LYS A 72 1.357 13.765 -3.074 1.00 0.00 C ATOM 1029 CD LYS A 72 1.412 14.909 -2.076 1.00 0.00 C ATOM 1030 CE LYS A 72 0.019 15.391 -1.702 1.00 0.00 C ATOM 1031 NZ LYS A 72 -0.475 16.438 -2.638 1.00 0.00 N ATOM 0 H LYS A 72 -0.036 10.268 -1.815 1.00 0.00 H new ATOM 0 HA LYS A 72 0.570 11.571 -4.307 1.00 0.00 H new ATOM 0 HB2 LYS A 72 0.038 12.540 -1.920 1.00 0.00 H new ATOM 0 HB3 LYS A 72 1.739 12.258 -1.606 1.00 0.00 H new ATOM 0 HG2 LYS A 72 2.319 13.675 -3.579 1.00 0.00 H new ATOM 0 HG3 LYS A 72 0.614 13.985 -3.840 1.00 0.00 H new ATOM 0 HD2 LYS A 72 1.939 14.585 -1.179 1.00 0.00 H new ATOM 0 HD3 LYS A 72 1.982 15.736 -2.500 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -0.670 14.547 -1.705 1.00 0.00 H new ATOM 0 HE3 LYS A 72 0.032 15.788 -0.687 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -1.427 16.740 -2.349 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 0.169 17.254 -2.617 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -0.512 16.052 -3.603 1.00 0.00 H new ATOM 1045 N VAL A 73 3.138 10.502 -2.508 1.00 0.00 N ATOM 1046 CA VAL A 73 4.510 10.018 -2.601 1.00 0.00 C ATOM 1047 C VAL A 73 4.615 8.847 -3.572 1.00 0.00 C ATOM 1048 O VAL A 73 5.649 8.644 -4.207 1.00 0.00 O ATOM 1049 CB VAL A 73 5.045 9.579 -1.226 1.00 0.00 C ATOM 1050 CG1 VAL A 73 6.342 8.801 -1.380 1.00 0.00 C ATOM 1051 CG2 VAL A 73 5.242 10.786 -0.321 1.00 0.00 C ATOM 0 H VAL A 73 2.797 10.623 -1.554 1.00 0.00 H new ATOM 0 HA VAL A 73 5.114 10.848 -2.969 1.00 0.00 H new ATOM 0 HB VAL A 73 4.309 8.922 -0.763 1.00 0.00 H new ATOM 0 HG11 VAL A 73 6.704 8.499 -0.397 1.00 0.00 H new ATOM 0 HG12 VAL A 73 6.164 7.915 -1.989 1.00 0.00 H new ATOM 0 HG13 VAL A 73 7.088 9.430 -1.864 1.00 0.00 H new ATOM 0 HG21 VAL A 73 5.621 10.457 0.647 1.00 0.00 H new ATOM 0 HG22 VAL A 73 5.958 11.470 -0.777 1.00 0.00 H new ATOM 0 HG23 VAL A 73 4.289 11.297 -0.183 1.00 0.00 H new ATOM 1061 N ALA A 74 3.536 8.078 -3.683 1.00 0.00 N ATOM 1062 CA ALA A 74 3.506 6.929 -4.578 1.00 0.00 C ATOM 1063 C ALA A 74 3.277 7.364 -6.022 1.00 0.00 C ATOM 1064 O ALA A 74 3.769 6.730 -6.955 1.00 0.00 O ATOM 1065 CB ALA A 74 2.426 5.949 -4.143 1.00 0.00 C ATOM 0 H ALA A 74 2.671 8.231 -3.164 1.00 0.00 H new ATOM 0 HA ALA A 74 4.475 6.433 -4.524 1.00 0.00 H new ATOM 0 HB1 ALA A 74 2.415 5.095 -4.821 1.00 0.00 H new ATOM 0 HB2 ALA A 74 2.633 5.605 -3.130 1.00 0.00 H new ATOM 0 HB3 ALA A 74 1.455 6.444 -4.167 1.00 0.00 H new ATOM 1071 N GLU A 75 2.526 8.447 -6.198 1.00 0.00 N ATOM 1072 CA GLU A 75 2.232 8.965 -7.529 1.00 0.00 C ATOM 1073 C GLU A 75 3.344 9.893 -8.010 1.00 0.00 C ATOM 1074 O GLU A 75 3.401 10.253 -9.185 1.00 0.00 O ATOM 1075 CB GLU A 75 0.896 9.710 -7.527 1.00 0.00 C ATOM 1076 CG GLU A 75 0.466 10.195 -8.901 1.00 0.00 C ATOM 1077 CD GLU A 75 1.156 11.483 -9.307 1.00 0.00 C ATOM 1078 OE1 GLU A 75 1.350 12.353 -8.433 1.00 0.00 O ATOM 1079 OE2 GLU A 75 1.501 11.620 -10.499 1.00 0.00 O ATOM 0 H GLU A 75 2.110 8.982 -5.436 1.00 0.00 H new ATOM 0 HA GLU A 75 2.167 8.119 -8.214 1.00 0.00 H new ATOM 0 HB2 GLU A 75 0.124 9.053 -7.125 1.00 0.00 H new ATOM 0 HB3 GLU A 75 0.968 10.565 -6.855 1.00 0.00 H new ATOM 0 HG2 GLU A 75 0.683 9.423 -9.639 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -0.613 10.348 -8.907 1.00 0.00 H new ATOM 1086 N ASN A 76 4.225 10.277 -7.092 1.00 0.00 N ATOM 1087 CA ASN A 76 5.334 11.164 -7.421 1.00 0.00 C ATOM 1088 C ASN A 76 6.639 10.383 -7.541 1.00 0.00 C ATOM 1089 O ASN A 76 7.278 10.379 -8.593 1.00 0.00 O ATOM 1090 CB ASN A 76 5.476 12.255 -6.357 1.00 0.00 C ATOM 1091 CG ASN A 76 4.488 13.387 -6.556 1.00 0.00 C ATOM 1092 OD1 ASN A 76 4.491 14.054 -7.592 1.00 0.00 O ATOM 1093 ND2 ASN A 76 3.637 13.612 -5.563 1.00 0.00 N ATOM 0 H ASN A 76 4.192 9.988 -6.114 1.00 0.00 H new ATOM 0 HA ASN A 76 5.120 11.630 -8.383 1.00 0.00 H new ATOM 0 HB2 ASN A 76 5.329 11.817 -5.370 1.00 0.00 H new ATOM 0 HB3 ASN A 76 6.490 12.653 -6.381 1.00 0.00 H new ATOM 0 HD21 ASN A 76 2.950 14.362 -5.640 1.00 0.00 H new ATOM 0 HD22 ASN A 76 3.670 13.035 -4.723 1.00 0.00 H new ATOM 1100 N GLU A 77 7.027 9.720 -6.455 1.00 0.00 N ATOM 1101 CA GLU A 77 8.256 8.935 -6.439 1.00 0.00 C ATOM 1102 C GLU A 77 8.060 7.603 -7.158 1.00 0.00 C ATOM 1103 O GLU A 77 8.637 7.365 -8.220 1.00 0.00 O ATOM 1104 CB GLU A 77 8.712 8.688 -5.000 1.00 0.00 C ATOM 1105 CG GLU A 77 9.648 9.759 -4.466 1.00 0.00 C ATOM 1106 CD GLU A 77 10.875 9.949 -5.336 1.00 0.00 C ATOM 1107 OE1 GLU A 77 11.652 8.982 -5.482 1.00 0.00 O ATOM 1108 OE2 GLU A 77 11.058 11.061 -5.873 1.00 0.00 O ATOM 0 H GLU A 77 6.509 9.711 -5.577 1.00 0.00 H new ATOM 0 HA GLU A 77 9.025 9.502 -6.963 1.00 0.00 H new ATOM 0 HB2 GLU A 77 7.835 8.629 -4.355 1.00 0.00 H new ATOM 0 HB3 GLU A 77 9.212 7.721 -4.947 1.00 0.00 H new ATOM 0 HG2 GLU A 77 9.109 10.704 -4.393 1.00 0.00 H new ATOM 0 HG3 GLU A 77 9.961 9.492 -3.457 1.00 0.00 H new ATOM 1115 N LEU A 78 7.243 6.736 -6.570 1.00 0.00 N ATOM 1116 CA LEU A 78 6.969 5.426 -7.153 1.00 0.00 C ATOM 1117 C LEU A 78 6.353 5.566 -8.540 1.00 0.00 C ATOM 1118 O LEU A 78 6.640 4.777 -9.440 1.00 0.00 O ATOM 1119 CB LEU A 78 6.033 4.628 -6.244 1.00 0.00 C ATOM 1120 CG LEU A 78 6.391 4.613 -4.758 1.00 0.00 C ATOM 1121 CD1 LEU A 78 5.350 3.838 -3.965 1.00 0.00 C ATOM 1122 CD2 LEU A 78 7.776 4.018 -4.549 1.00 0.00 C ATOM 0 H LEU A 78 6.759 6.916 -5.690 1.00 0.00 H new ATOM 0 HA LEU A 78 7.915 4.892 -7.248 1.00 0.00 H new ATOM 0 HB2 LEU A 78 5.026 5.031 -6.350 1.00 0.00 H new ATOM 0 HB3 LEU A 78 6.004 3.598 -6.600 1.00 0.00 H new ATOM 0 HG LEU A 78 6.401 5.641 -4.396 1.00 0.00 H new ATOM 0 HD11 LEU A 78 5.622 3.838 -2.910 1.00 0.00 H new ATOM 0 HD12 LEU A 78 4.374 4.308 -4.088 1.00 0.00 H new ATOM 0 HD13 LEU A 78 5.306 2.811 -4.328 1.00 0.00 H new ATOM 0 HD21 LEU A 78 8.014 4.015 -3.485 1.00 0.00 H new ATOM 0 HD22 LEU A 78 7.794 2.996 -4.927 1.00 0.00 H new ATOM 0 HD23 LEU A 78 8.513 4.616 -5.084 1.00 0.00 H new ATOM 1134 N GLY A 79 5.507 6.577 -8.708 1.00 0.00 N ATOM 1135 CA GLY A 79 4.866 6.803 -9.990 1.00 0.00 C ATOM 1136 C GLY A 79 3.644 5.927 -10.190 1.00 0.00 C ATOM 1137 O GLY A 79 3.147 5.789 -11.308 1.00 0.00 O ATOM 0 H GLY A 79 5.254 7.244 -7.979 1.00 0.00 H new ATOM 0 HA2 GLY A 79 4.575 7.851 -10.068 1.00 0.00 H new ATOM 0 HA3 GLY A 79 5.582 6.611 -10.789 1.00 0.00 H new ATOM 1141 N ILE A 80 3.161 5.333 -9.104 1.00 0.00 N ATOM 1142 CA ILE A 80 1.990 4.466 -9.166 1.00 0.00 C ATOM 1143 C ILE A 80 0.702 5.281 -9.171 1.00 0.00 C ATOM 1144 O ILE A 80 0.069 5.473 -8.132 1.00 0.00 O ATOM 1145 CB ILE A 80 1.956 3.481 -7.982 1.00 0.00 C ATOM 1146 CG1 ILE A 80 3.239 2.649 -7.946 1.00 0.00 C ATOM 1147 CG2 ILE A 80 0.734 2.580 -8.078 1.00 0.00 C ATOM 1148 CD1 ILE A 80 3.340 1.646 -9.075 1.00 0.00 C ATOM 0 H ILE A 80 3.562 5.436 -8.172 1.00 0.00 H new ATOM 0 HA ILE A 80 2.064 3.902 -10.096 1.00 0.00 H new ATOM 0 HB ILE A 80 1.890 4.051 -7.055 1.00 0.00 H new ATOM 0 HG12 ILE A 80 4.098 3.319 -7.988 1.00 0.00 H new ATOM 0 HG13 ILE A 80 3.293 2.120 -6.995 1.00 0.00 H new ATOM 0 HG21 ILE A 80 0.724 1.890 -7.235 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -0.170 3.189 -8.059 1.00 0.00 H new ATOM 0 HG23 ILE A 80 0.771 2.015 -9.009 1.00 0.00 H new ATOM 0 HD11 ILE A 80 4.274 1.092 -8.987 1.00 0.00 H new ATOM 0 HD12 ILE A 80 2.500 0.953 -9.022 1.00 0.00 H new ATOM 0 HD13 ILE A 80 3.318 2.170 -10.030 1.00 0.00 H new ATOM 1160 N THR A 81 0.315 5.760 -10.350 1.00 0.00 N ATOM 1161 CA THR A 81 -0.898 6.554 -10.493 1.00 0.00 C ATOM 1162 C THR A 81 -2.008 6.029 -9.588 1.00 0.00 C ATOM 1163 O THR A 81 -2.270 4.827 -9.521 1.00 0.00 O ATOM 1164 CB THR A 81 -1.398 6.561 -11.949 1.00 0.00 C ATOM 1165 OG1 THR A 81 -0.326 6.904 -12.833 1.00 0.00 O ATOM 1166 CG2 THR A 81 -2.543 7.547 -12.124 1.00 0.00 C ATOM 0 H THR A 81 0.826 5.611 -11.220 1.00 0.00 H new ATOM 0 HA THR A 81 -0.645 7.573 -10.200 1.00 0.00 H new ATOM 0 HB THR A 81 -1.761 5.562 -12.190 1.00 0.00 H new ATOM 0 HG1 THR A 81 -0.652 6.905 -13.757 1.00 0.00 H new ATOM 0 HG21 THR A 81 -2.879 7.534 -13.161 1.00 0.00 H new ATOM 0 HG22 THR A 81 -3.369 7.265 -11.471 1.00 0.00 H new ATOM 0 HG23 THR A 81 -2.202 8.550 -11.866 1.00 0.00 H new ATOM 1174 N PRO A 82 -2.678 6.948 -8.877 1.00 0.00 N ATOM 1175 CA PRO A 82 -3.772 6.600 -7.966 1.00 0.00 C ATOM 1176 C PRO A 82 -5.017 6.125 -8.708 1.00 0.00 C ATOM 1177 O PRO A 82 -5.820 6.933 -9.173 1.00 0.00 O ATOM 1178 CB PRO A 82 -4.055 7.915 -7.234 1.00 0.00 C ATOM 1179 CG PRO A 82 -3.594 8.977 -8.171 1.00 0.00 C ATOM 1180 CD PRO A 82 -2.419 8.397 -8.910 1.00 0.00 C ATOM 0 HA PRO A 82 -3.505 5.776 -7.304 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -5.116 8.021 -7.006 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -3.519 7.964 -6.286 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -4.388 9.259 -8.862 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -3.308 9.878 -7.629 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -2.362 8.772 -9.932 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -1.476 8.648 -8.425 1.00 0.00 H new ATOM 1188 N VAL A 83 -5.169 4.809 -8.815 1.00 0.00 N ATOM 1189 CA VAL A 83 -6.317 4.226 -9.500 1.00 0.00 C ATOM 1190 C VAL A 83 -7.599 4.437 -8.701 1.00 0.00 C ATOM 1191 O VAL A 83 -8.682 4.579 -9.270 1.00 0.00 O ATOM 1192 CB VAL A 83 -6.120 2.719 -9.743 1.00 0.00 C ATOM 1193 CG1 VAL A 83 -6.437 1.928 -8.483 1.00 0.00 C ATOM 1194 CG2 VAL A 83 -6.980 2.249 -10.906 1.00 0.00 C ATOM 0 H VAL A 83 -4.512 4.127 -8.436 1.00 0.00 H new ATOM 0 HA VAL A 83 -6.403 4.733 -10.461 1.00 0.00 H new ATOM 0 HB VAL A 83 -5.075 2.545 -10.000 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -6.292 0.865 -8.675 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -5.774 2.245 -7.678 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -7.472 2.106 -8.192 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -6.828 1.181 -11.063 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -8.030 2.436 -10.681 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -6.700 2.792 -11.809 1.00 0.00 H new ATOM 1204 N VAL A 84 -7.468 4.458 -7.378 1.00 0.00 N ATOM 1205 CA VAL A 84 -8.615 4.653 -6.500 1.00 0.00 C ATOM 1206 C VAL A 84 -8.515 5.977 -5.749 1.00 0.00 C ATOM 1207 O VAL A 84 -7.419 6.457 -5.462 1.00 0.00 O ATOM 1208 CB VAL A 84 -8.744 3.506 -5.480 1.00 0.00 C ATOM 1209 CG1 VAL A 84 -9.798 3.836 -4.434 1.00 0.00 C ATOM 1210 CG2 VAL A 84 -9.073 2.200 -6.186 1.00 0.00 C ATOM 0 H VAL A 84 -6.579 4.342 -6.891 1.00 0.00 H new ATOM 0 HA VAL A 84 -9.500 4.665 -7.136 1.00 0.00 H new ATOM 0 HB VAL A 84 -7.787 3.387 -4.971 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -9.874 3.014 -3.723 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -9.515 4.747 -3.907 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -10.761 3.984 -4.922 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -9.160 1.401 -5.450 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -10.016 2.304 -6.723 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -8.279 1.958 -6.892 1.00 0.00 H new ATOM 1220 N SER A 85 -9.666 6.561 -5.434 1.00 0.00 N ATOM 1221 CA SER A 85 -9.708 7.832 -4.721 1.00 0.00 C ATOM 1222 C SER A 85 -9.441 7.627 -3.233 1.00 0.00 C ATOM 1223 O SER A 85 -10.053 6.773 -2.593 1.00 0.00 O ATOM 1224 CB SER A 85 -11.065 8.509 -4.919 1.00 0.00 C ATOM 1225 OG SER A 85 -11.321 8.748 -6.292 1.00 0.00 O ATOM 0 H SER A 85 -10.582 6.174 -5.661 1.00 0.00 H new ATOM 0 HA SER A 85 -8.928 8.475 -5.128 1.00 0.00 H new ATOM 0 HB2 SER A 85 -11.852 7.880 -4.503 1.00 0.00 H new ATOM 0 HB3 SER A 85 -11.088 9.452 -4.372 1.00 0.00 H new ATOM 0 HG SER A 85 -12.195 9.180 -6.391 1.00 0.00 H new ATOM 1231 N ALA A 86 -8.522 8.419 -2.688 1.00 0.00 N ATOM 1232 CA ALA A 86 -8.174 8.328 -1.276 1.00 0.00 C ATOM 1233 C ALA A 86 -9.407 8.041 -0.425 1.00 0.00 C ATOM 1234 O ALA A 86 -9.379 7.178 0.452 1.00 0.00 O ATOM 1235 CB ALA A 86 -7.497 9.610 -0.815 1.00 0.00 C ATOM 0 H ALA A 86 -8.005 9.131 -3.204 1.00 0.00 H new ATOM 0 HA ALA A 86 -7.478 7.499 -1.151 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -7.243 9.528 0.242 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -6.588 9.771 -1.395 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -8.174 10.452 -0.961 1.00 0.00 H new ATOM 1241 N GLN A 87 -10.485 8.771 -0.689 1.00 0.00 N ATOM 1242 CA GLN A 87 -11.727 8.597 0.055 1.00 0.00 C ATOM 1243 C GLN A 87 -12.265 7.179 -0.110 1.00 0.00 C ATOM 1244 O GLN A 87 -12.521 6.483 0.872 1.00 0.00 O ATOM 1245 CB GLN A 87 -12.773 9.609 -0.413 1.00 0.00 C ATOM 1246 CG GLN A 87 -14.092 9.511 0.337 1.00 0.00 C ATOM 1247 CD GLN A 87 -14.112 10.352 1.598 1.00 0.00 C ATOM 1248 OE1 GLN A 87 -13.443 10.033 2.580 1.00 0.00 O ATOM 1249 NE2 GLN A 87 -14.881 11.434 1.576 1.00 0.00 N ATOM 0 H GLN A 87 -10.524 9.489 -1.413 1.00 0.00 H new ATOM 0 HA GLN A 87 -11.516 8.766 1.111 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -12.371 10.615 -0.295 1.00 0.00 H new ATOM 0 HB3 GLN A 87 -12.958 9.462 -1.477 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -14.903 9.828 -0.319 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -14.281 8.469 0.597 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -15.419 11.660 0.740 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -14.934 12.039 2.396 1.00 0.00 H new ATOM 1258 N ALA A 88 -12.435 6.758 -1.359 1.00 0.00 N ATOM 1259 CA ALA A 88 -12.940 5.422 -1.653 1.00 0.00 C ATOM 1260 C ALA A 88 -12.191 4.363 -0.852 1.00 0.00 C ATOM 1261 O ALA A 88 -12.796 3.437 -0.310 1.00 0.00 O ATOM 1262 CB ALA A 88 -12.833 5.133 -3.143 1.00 0.00 C ATOM 0 H ALA A 88 -12.231 7.323 -2.184 1.00 0.00 H new ATOM 0 HA ALA A 88 -13.990 5.385 -1.361 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -13.214 4.132 -3.348 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -13.419 5.865 -3.699 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -11.789 5.194 -3.452 1.00 0.00 H new ATOM 1268 N VAL A 89 -10.871 4.504 -0.782 1.00 0.00 N ATOM 1269 CA VAL A 89 -10.039 3.559 -0.045 1.00 0.00 C ATOM 1270 C VAL A 89 -10.453 3.488 1.420 1.00 0.00 C ATOM 1271 O VAL A 89 -10.863 2.437 1.910 1.00 0.00 O ATOM 1272 CB VAL A 89 -8.549 3.940 -0.130 1.00 0.00 C ATOM 1273 CG1 VAL A 89 -7.704 2.973 0.685 1.00 0.00 C ATOM 1274 CG2 VAL A 89 -8.089 3.970 -1.580 1.00 0.00 C ATOM 0 H VAL A 89 -10.355 5.263 -1.226 1.00 0.00 H new ATOM 0 HA VAL A 89 -10.183 2.582 -0.507 1.00 0.00 H new ATOM 0 HB VAL A 89 -8.422 4.938 0.289 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -6.654 3.258 0.613 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -8.018 3.005 1.728 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -7.833 1.962 0.298 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -7.034 4.241 -1.622 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -8.229 2.985 -2.026 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -8.674 4.705 -2.132 1.00 0.00 H new ATOM 1284 N VAL A 90 -10.340 4.616 2.115 1.00 0.00 N ATOM 1285 CA VAL A 90 -10.704 4.683 3.526 1.00 0.00 C ATOM 1286 C VAL A 90 -12.192 4.413 3.723 1.00 0.00 C ATOM 1287 O VAL A 90 -12.576 3.460 4.400 1.00 0.00 O ATOM 1288 CB VAL A 90 -10.359 6.057 4.130 1.00 0.00 C ATOM 1289 CG1 VAL A 90 -10.721 6.099 5.606 1.00 0.00 C ATOM 1290 CG2 VAL A 90 -8.884 6.372 3.926 1.00 0.00 C ATOM 0 H VAL A 90 -10.000 5.495 1.725 1.00 0.00 H new ATOM 0 HA VAL A 90 -10.127 3.914 4.039 1.00 0.00 H new ATOM 0 HB VAL A 90 -10.946 6.818 3.615 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -10.470 7.078 6.015 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -11.790 5.920 5.724 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -10.163 5.329 6.139 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -8.657 7.346 4.359 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -8.278 5.608 4.414 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -8.659 6.387 2.860 1.00 0.00 H new ATOM 1300 N ALA A 91 -13.025 5.260 3.129 1.00 0.00 N ATOM 1301 CA ALA A 91 -14.471 5.112 3.237 1.00 0.00 C ATOM 1302 C ALA A 91 -14.876 3.642 3.217 1.00 0.00 C ATOM 1303 O ALA A 91 -15.711 3.207 4.009 1.00 0.00 O ATOM 1304 CB ALA A 91 -15.165 5.868 2.112 1.00 0.00 C ATOM 0 H ALA A 91 -12.723 6.056 2.568 1.00 0.00 H new ATOM 0 HA ALA A 91 -14.784 5.535 4.192 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -16.244 5.749 2.205 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -14.910 6.926 2.173 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -14.838 5.471 1.151 1.00 0.00 H new ATOM 1310 N GLY A 92 -14.278 2.881 2.305 1.00 0.00 N ATOM 1311 CA GLY A 92 -14.590 1.467 2.198 1.00 0.00 C ATOM 1312 C GLY A 92 -15.758 1.200 1.272 1.00 0.00 C ATOM 1313 O GLY A 92 -16.587 0.330 1.541 1.00 0.00 O ATOM 0 H GLY A 92 -13.583 3.218 1.639 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -13.713 0.931 1.835 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -14.818 1.072 3.188 1.00 0.00 H new ATOM 1317 N SER A 93 -15.829 1.951 0.178 1.00 0.00 N ATOM 1318 CA SER A 93 -16.908 1.795 -0.790 1.00 0.00 C ATOM 1319 C SER A 93 -16.447 0.976 -1.992 1.00 0.00 C ATOM 1320 O SER A 93 -17.173 0.113 -2.484 1.00 0.00 O ATOM 1321 CB SER A 93 -17.409 3.164 -1.253 1.00 0.00 C ATOM 1322 OG SER A 93 -18.319 3.036 -2.333 1.00 0.00 O ATOM 0 H SER A 93 -15.151 2.675 -0.060 1.00 0.00 H new ATOM 0 HA SER A 93 -17.725 1.263 -0.302 1.00 0.00 H new ATOM 0 HB2 SER A 93 -17.895 3.677 -0.423 1.00 0.00 H new ATOM 0 HB3 SER A 93 -16.563 3.780 -1.557 1.00 0.00 H new ATOM 0 HG SER A 93 -18.626 3.925 -2.609 1.00 0.00 H new ATOM 1328 N ASP A 94 -15.235 1.254 -2.459 1.00 0.00 N ATOM 1329 CA ASP A 94 -14.674 0.544 -3.602 1.00 0.00 C ATOM 1330 C ASP A 94 -13.550 -0.390 -3.165 1.00 0.00 C ATOM 1331 O ASP A 94 -12.373 -0.028 -3.167 1.00 0.00 O ATOM 1332 CB ASP A 94 -14.152 1.538 -4.641 1.00 0.00 C ATOM 1333 CG ASP A 94 -15.170 2.609 -4.980 1.00 0.00 C ATOM 1334 OD1 ASP A 94 -16.308 2.251 -5.349 1.00 0.00 O ATOM 1335 OD2 ASP A 94 -14.829 3.807 -4.877 1.00 0.00 O ATOM 0 H ASP A 94 -14.622 1.967 -2.063 1.00 0.00 H new ATOM 0 HA ASP A 94 -15.467 -0.056 -4.049 1.00 0.00 H new ATOM 0 HB2 ASP A 94 -13.244 2.010 -4.264 1.00 0.00 H new ATOM 0 HB3 ASP A 94 -13.879 1.000 -5.549 1.00 0.00 H new ATOM 1340 N PRO A 95 -13.920 -1.620 -2.778 1.00 0.00 N ATOM 1341 CA PRO A 95 -12.957 -2.631 -2.329 1.00 0.00 C ATOM 1342 C PRO A 95 -12.083 -3.145 -3.468 1.00 0.00 C ATOM 1343 O PRO A 95 -10.868 -3.279 -3.319 1.00 0.00 O ATOM 1344 CB PRO A 95 -13.847 -3.753 -1.790 1.00 0.00 C ATOM 1345 CG PRO A 95 -15.138 -3.595 -2.516 1.00 0.00 C ATOM 1346 CD PRO A 95 -15.305 -2.119 -2.748 1.00 0.00 C ATOM 0 HA PRO A 95 -12.259 -2.231 -1.593 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -13.406 -4.732 -1.976 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -13.986 -3.665 -0.712 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -15.124 -4.139 -3.460 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -15.966 -3.994 -1.931 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -15.826 -1.916 -3.684 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -15.884 -1.650 -1.952 1.00 0.00 H new ATOM 1354 N LEU A 96 -12.708 -3.430 -4.604 1.00 0.00 N ATOM 1355 CA LEU A 96 -11.986 -3.929 -5.770 1.00 0.00 C ATOM 1356 C LEU A 96 -10.920 -2.935 -6.218 1.00 0.00 C ATOM 1357 O LEU A 96 -9.784 -3.313 -6.503 1.00 0.00 O ATOM 1358 CB LEU A 96 -12.960 -4.203 -6.918 1.00 0.00 C ATOM 1359 CG LEU A 96 -13.973 -5.323 -6.687 1.00 0.00 C ATOM 1360 CD1 LEU A 96 -15.242 -4.773 -6.054 1.00 0.00 C ATOM 1361 CD2 LEU A 96 -14.292 -6.032 -7.995 1.00 0.00 C ATOM 0 H LEU A 96 -13.713 -3.324 -4.744 1.00 0.00 H new ATOM 0 HA LEU A 96 -11.492 -4.860 -5.490 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -13.507 -3.284 -7.131 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -12.381 -4.443 -7.810 1.00 0.00 H new ATOM 0 HG LEU A 96 -13.534 -6.048 -6.001 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -15.952 -5.585 -5.897 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -15.001 -4.312 -5.096 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -15.684 -4.027 -6.714 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -15.015 -6.827 -7.811 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -14.711 -5.317 -8.704 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -13.379 -6.461 -8.409 1.00 0.00 H new ATOM 1373 N GLY A 97 -11.294 -1.660 -6.274 1.00 0.00 N ATOM 1374 CA GLY A 97 -10.357 -0.630 -6.685 1.00 0.00 C ATOM 1375 C GLY A 97 -9.023 -0.743 -5.976 1.00 0.00 C ATOM 1376 O GLY A 97 -7.972 -0.792 -6.617 1.00 0.00 O ATOM 0 H GLY A 97 -12.228 -1.322 -6.042 1.00 0.00 H new ATOM 0 HA2 GLY A 97 -10.199 -0.695 -7.762 1.00 0.00 H new ATOM 0 HA3 GLY A 97 -10.789 0.351 -6.485 1.00 0.00 H new ATOM 1380 N LEU A 98 -9.062 -0.783 -4.648 1.00 0.00 N ATOM 1381 CA LEU A 98 -7.846 -0.890 -3.850 1.00 0.00 C ATOM 1382 C LEU A 98 -6.990 -2.063 -4.315 1.00 0.00 C ATOM 1383 O LEU A 98 -5.821 -1.893 -4.660 1.00 0.00 O ATOM 1384 CB LEU A 98 -8.197 -1.055 -2.370 1.00 0.00 C ATOM 1385 CG LEU A 98 -7.027 -1.353 -1.432 1.00 0.00 C ATOM 1386 CD1 LEU A 98 -6.099 -0.152 -1.338 1.00 0.00 C ATOM 1387 CD2 LEU A 98 -7.536 -1.745 -0.052 1.00 0.00 C ATOM 0 H LEU A 98 -9.923 -0.743 -4.102 1.00 0.00 H new ATOM 0 HA LEU A 98 -7.273 0.028 -3.982 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -8.686 -0.143 -2.029 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -8.925 -1.861 -2.278 1.00 0.00 H new ATOM 0 HG LEU A 98 -6.463 -2.191 -1.841 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -5.272 -0.383 -0.666 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -5.707 0.084 -2.328 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -6.651 0.705 -0.953 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -6.690 -1.954 0.602 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -8.124 -0.927 0.365 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -8.159 -2.635 -0.134 1.00 0.00 H new ATOM 1399 N ILE A 99 -7.581 -3.254 -4.323 1.00 0.00 N ATOM 1400 CA ILE A 99 -6.873 -4.454 -4.749 1.00 0.00 C ATOM 1401 C ILE A 99 -6.099 -4.207 -6.040 1.00 0.00 C ATOM 1402 O ILE A 99 -4.920 -4.546 -6.143 1.00 0.00 O ATOM 1403 CB ILE A 99 -7.841 -5.633 -4.963 1.00 0.00 C ATOM 1404 CG1 ILE A 99 -8.597 -5.941 -3.668 1.00 0.00 C ATOM 1405 CG2 ILE A 99 -7.083 -6.860 -5.445 1.00 0.00 C ATOM 1406 CD1 ILE A 99 -9.811 -6.819 -3.872 1.00 0.00 C ATOM 0 H ILE A 99 -8.548 -3.413 -4.039 1.00 0.00 H new ATOM 0 HA ILE A 99 -6.174 -4.707 -3.952 1.00 0.00 H new ATOM 0 HB ILE A 99 -8.566 -5.355 -5.728 1.00 0.00 H new ATOM 0 HG12 ILE A 99 -7.919 -6.429 -2.968 1.00 0.00 H new ATOM 0 HG13 ILE A 99 -8.910 -5.004 -3.208 1.00 0.00 H new ATOM 0 HG21 ILE A 99 -7.781 -7.684 -5.592 1.00 0.00 H new ATOM 0 HG22 ILE A 99 -6.586 -6.633 -6.388 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -6.338 -7.143 -4.701 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -10.297 -6.996 -2.913 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -10.509 -6.324 -4.547 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -9.503 -7.771 -4.304 1.00 0.00 H new ATOM 1418 N ALA A 100 -6.770 -3.614 -7.021 1.00 0.00 N ATOM 1419 CA ALA A 100 -6.143 -3.318 -8.304 1.00 0.00 C ATOM 1420 C ALA A 100 -5.034 -2.283 -8.148 1.00 0.00 C ATOM 1421 O ALA A 100 -4.027 -2.327 -8.854 1.00 0.00 O ATOM 1422 CB ALA A 100 -7.186 -2.831 -9.300 1.00 0.00 C ATOM 0 H ALA A 100 -7.747 -3.329 -6.953 1.00 0.00 H new ATOM 0 HA ALA A 100 -5.695 -4.237 -8.682 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -6.705 -2.614 -10.254 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -7.942 -3.604 -9.443 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -7.660 -1.927 -8.918 1.00 0.00 H new ATOM 1428 N TYR A 101 -5.227 -1.353 -7.219 1.00 0.00 N ATOM 1429 CA TYR A 101 -4.244 -0.304 -6.972 1.00 0.00 C ATOM 1430 C TYR A 101 -2.939 -0.894 -6.449 1.00 0.00 C ATOM 1431 O TYR A 101 -1.868 -0.666 -7.015 1.00 0.00 O ATOM 1432 CB TYR A 101 -4.794 0.715 -5.972 1.00 0.00 C ATOM 1433 CG TYR A 101 -3.873 1.891 -5.738 1.00 0.00 C ATOM 1434 CD1 TYR A 101 -3.190 2.485 -6.793 1.00 0.00 C ATOM 1435 CD2 TYR A 101 -3.684 2.407 -4.462 1.00 0.00 C ATOM 1436 CE1 TYR A 101 -2.347 3.559 -6.582 1.00 0.00 C ATOM 1437 CE2 TYR A 101 -2.845 3.482 -4.243 1.00 0.00 C ATOM 1438 CZ TYR A 101 -2.178 4.054 -5.307 1.00 0.00 C ATOM 1439 OH TYR A 101 -1.340 5.124 -5.093 1.00 0.00 O ATOM 0 H TYR A 101 -6.055 -1.304 -6.625 1.00 0.00 H new ATOM 0 HA TYR A 101 -4.041 0.199 -7.917 1.00 0.00 H new ATOM 0 HB2 TYR A 101 -5.755 1.083 -6.332 1.00 0.00 H new ATOM 0 HB3 TYR A 101 -4.980 0.215 -5.021 1.00 0.00 H new ATOM 0 HD1 TYR A 101 -3.320 2.101 -7.794 1.00 0.00 H new ATOM 0 HD2 TYR A 101 -4.202 1.960 -3.627 1.00 0.00 H new ATOM 0 HE1 TYR A 101 -1.823 4.009 -7.412 1.00 0.00 H new ATOM 0 HE2 TYR A 101 -2.712 3.873 -3.245 1.00 0.00 H new ATOM 0 HH TYR A 101 -1.327 5.694 -5.890 1.00 0.00 H new ATOM 1449 N LEU A 102 -3.033 -1.655 -5.365 1.00 0.00 N ATOM 1450 CA LEU A 102 -1.860 -2.280 -4.762 1.00 0.00 C ATOM 1451 C LEU A 102 -1.131 -3.157 -5.776 1.00 0.00 C ATOM 1452 O LEU A 102 0.097 -3.141 -5.854 1.00 0.00 O ATOM 1453 CB LEU A 102 -2.270 -3.117 -3.549 1.00 0.00 C ATOM 1454 CG LEU A 102 -2.851 -2.342 -2.365 1.00 0.00 C ATOM 1455 CD1 LEU A 102 -3.194 -3.288 -1.225 1.00 0.00 C ATOM 1456 CD2 LEU A 102 -1.876 -1.271 -1.898 1.00 0.00 C ATOM 0 H LEU A 102 -3.910 -1.855 -4.884 1.00 0.00 H new ATOM 0 HA LEU A 102 -1.183 -1.490 -4.438 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -3.006 -3.853 -3.872 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -1.397 -3.670 -3.202 1.00 0.00 H new ATOM 0 HG LEU A 102 -3.768 -1.852 -2.691 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -3.606 -2.719 -0.392 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -3.930 -4.017 -1.566 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -2.293 -3.807 -0.899 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -2.306 -0.730 -1.055 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -0.941 -1.739 -1.590 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -1.681 -0.575 -2.714 1.00 0.00 H new ATOM 1468 N SER A 103 -1.896 -3.919 -6.551 1.00 0.00 N ATOM 1469 CA SER A 103 -1.322 -4.803 -7.558 1.00 0.00 C ATOM 1470 C SER A 103 -0.185 -4.111 -8.305 1.00 0.00 C ATOM 1471 O SER A 103 0.838 -4.724 -8.609 1.00 0.00 O ATOM 1472 CB SER A 103 -2.400 -5.250 -8.548 1.00 0.00 C ATOM 1473 OG SER A 103 -3.324 -6.130 -7.931 1.00 0.00 O ATOM 0 H SER A 103 -2.915 -3.942 -6.501 1.00 0.00 H new ATOM 0 HA SER A 103 -0.919 -5.679 -7.050 1.00 0.00 H new ATOM 0 HB2 SER A 103 -2.927 -4.378 -8.936 1.00 0.00 H new ATOM 0 HB3 SER A 103 -1.934 -5.746 -9.400 1.00 0.00 H new ATOM 0 HG SER A 103 -3.889 -5.627 -7.309 1.00 0.00 H new ATOM 1479 N HIS A 104 -0.374 -2.828 -8.598 1.00 0.00 N ATOM 1480 CA HIS A 104 0.635 -2.050 -9.310 1.00 0.00 C ATOM 1481 C HIS A 104 1.936 -1.993 -8.515 1.00 0.00 C ATOM 1482 O HIS A 104 3.026 -2.075 -9.083 1.00 0.00 O ATOM 1483 CB HIS A 104 0.122 -0.634 -9.576 1.00 0.00 C ATOM 1484 CG HIS A 104 -1.112 -0.593 -10.422 1.00 0.00 C ATOM 1485 ND1 HIS A 104 -1.439 0.478 -11.225 1.00 0.00 N ATOM 1486 CD2 HIS A 104 -2.103 -1.501 -10.587 1.00 0.00 C ATOM 1487 CE1 HIS A 104 -2.578 0.229 -11.847 1.00 0.00 C ATOM 1488 NE2 HIS A 104 -3.001 -0.967 -11.478 1.00 0.00 N ATOM 0 H HIS A 104 -1.215 -2.305 -8.354 1.00 0.00 H new ATOM 0 HA HIS A 104 0.834 -2.541 -10.263 1.00 0.00 H new ATOM 0 HB2 HIS A 104 -0.084 -0.146 -8.623 1.00 0.00 H new ATOM 0 HB3 HIS A 104 0.907 -0.058 -10.065 1.00 0.00 H new ATOM 0 HD2 HIS A 104 -2.174 -2.466 -10.107 1.00 0.00 H new ATOM 0 HE1 HIS A 104 -3.078 0.890 -12.539 1.00 0.00 H new ATOM 0 HE2 HIS A 104 -3.855 -1.420 -11.802 1.00 0.00 H new ATOM 1497 N PHE A 105 1.815 -1.850 -7.199 1.00 0.00 N ATOM 1498 CA PHE A 105 2.982 -1.779 -6.327 1.00 0.00 C ATOM 1499 C PHE A 105 3.784 -3.076 -6.386 1.00 0.00 C ATOM 1500 O PHE A 105 4.996 -3.059 -6.597 1.00 0.00 O ATOM 1501 CB PHE A 105 2.551 -1.496 -4.886 1.00 0.00 C ATOM 1502 CG PHE A 105 2.157 -0.067 -4.647 1.00 0.00 C ATOM 1503 CD1 PHE A 105 0.996 0.447 -5.200 1.00 0.00 C ATOM 1504 CD2 PHE A 105 2.950 0.763 -3.870 1.00 0.00 C ATOM 1505 CE1 PHE A 105 0.630 1.762 -4.981 1.00 0.00 C ATOM 1506 CE2 PHE A 105 2.589 2.079 -3.648 1.00 0.00 C ATOM 1507 CZ PHE A 105 1.429 2.580 -4.205 1.00 0.00 C ATOM 0 H PHE A 105 0.921 -1.781 -6.713 1.00 0.00 H new ATOM 0 HA PHE A 105 3.617 -0.964 -6.675 1.00 0.00 H new ATOM 0 HB2 PHE A 105 1.711 -2.143 -4.633 1.00 0.00 H new ATOM 0 HB3 PHE A 105 3.368 -1.756 -4.213 1.00 0.00 H new ATOM 0 HD1 PHE A 105 0.369 -0.187 -5.810 1.00 0.00 H new ATOM 0 HD2 PHE A 105 3.860 0.378 -3.433 1.00 0.00 H new ATOM 0 HE1 PHE A 105 -0.279 2.150 -5.416 1.00 0.00 H new ATOM 0 HE2 PHE A 105 3.214 2.715 -3.039 1.00 0.00 H new ATOM 0 HZ PHE A 105 1.147 3.608 -4.035 1.00 0.00 H new ATOM 1517 N HIS A 106 3.097 -4.198 -6.197 1.00 0.00 N ATOM 1518 CA HIS A 106 3.745 -5.504 -6.227 1.00 0.00 C ATOM 1519 C HIS A 106 4.243 -5.831 -7.633 1.00 0.00 C ATOM 1520 O HIS A 106 5.432 -6.073 -7.839 1.00 0.00 O ATOM 1521 CB HIS A 106 2.777 -6.589 -5.752 1.00 0.00 C ATOM 1522 CG HIS A 106 3.363 -7.966 -5.774 1.00 0.00 C ATOM 1523 ND1 HIS A 106 2.787 -9.019 -6.453 1.00 0.00 N ATOM 1524 CD2 HIS A 106 4.483 -8.462 -5.196 1.00 0.00 C ATOM 1525 CE1 HIS A 106 3.525 -10.102 -6.292 1.00 0.00 C ATOM 1526 NE2 HIS A 106 4.561 -9.790 -5.532 1.00 0.00 N ATOM 0 H HIS A 106 2.093 -4.229 -6.022 1.00 0.00 H new ATOM 0 HA HIS A 106 4.602 -5.472 -5.554 1.00 0.00 H new ATOM 0 HB2 HIS A 106 2.454 -6.357 -4.737 1.00 0.00 H new ATOM 0 HB3 HIS A 106 1.887 -6.572 -6.382 1.00 0.00 H new ATOM 0 HD2 HIS A 106 5.184 -7.914 -4.584 1.00 0.00 H new ATOM 0 HE1 HIS A 106 3.318 -11.076 -6.710 1.00 0.00 H new ATOM 0 HE2 HIS A 106 5.299 -10.432 -5.242 1.00 0.00 H new ATOM 1535 N SER A 107 3.325 -5.836 -8.594 1.00 0.00 N ATOM 1536 CA SER A 107 3.670 -6.136 -9.979 1.00 0.00 C ATOM 1537 C SER A 107 4.977 -5.455 -10.373 1.00 0.00 C ATOM 1538 O SER A 107 5.681 -5.913 -11.272 1.00 0.00 O ATOM 1539 CB SER A 107 2.547 -5.690 -10.915 1.00 0.00 C ATOM 1540 OG SER A 107 1.367 -6.442 -10.691 1.00 0.00 O ATOM 0 H SER A 107 2.337 -5.636 -8.439 1.00 0.00 H new ATOM 0 HA SER A 107 3.801 -7.214 -10.069 1.00 0.00 H new ATOM 0 HB2 SER A 107 2.341 -4.631 -10.762 1.00 0.00 H new ATOM 0 HB3 SER A 107 2.865 -5.807 -11.951 1.00 0.00 H new ATOM 0 HG SER A 107 0.894 -6.084 -9.911 1.00 0.00 H new ATOM 1546 N ALA A 108 5.295 -4.359 -9.692 1.00 0.00 N ATOM 1547 CA ALA A 108 6.518 -3.615 -9.969 1.00 0.00 C ATOM 1548 C ALA A 108 7.609 -3.959 -8.962 1.00 0.00 C ATOM 1549 O ALA A 108 8.779 -4.097 -9.322 1.00 0.00 O ATOM 1550 CB ALA A 108 6.239 -2.120 -9.958 1.00 0.00 C ATOM 0 H ALA A 108 4.723 -3.967 -8.944 1.00 0.00 H new ATOM 0 HA ALA A 108 6.872 -3.900 -10.960 1.00 0.00 H new ATOM 0 HB1 ALA A 108 7.161 -1.576 -10.166 1.00 0.00 H new ATOM 0 HB2 ALA A 108 5.497 -1.883 -10.721 1.00 0.00 H new ATOM 0 HB3 ALA A 108 5.859 -1.828 -8.979 1.00 0.00 H new ATOM 1556 N PHE A 109 7.221 -4.097 -7.699 1.00 0.00 N ATOM 1557 CA PHE A 109 8.168 -4.424 -6.639 1.00 0.00 C ATOM 1558 C PHE A 109 8.044 -5.890 -6.232 1.00 0.00 C ATOM 1559 O PHE A 109 8.079 -6.222 -5.047 1.00 0.00 O ATOM 1560 CB PHE A 109 7.936 -3.524 -5.423 1.00 0.00 C ATOM 1561 CG PHE A 109 8.369 -2.102 -5.639 1.00 0.00 C ATOM 1562 CD1 PHE A 109 9.708 -1.790 -5.805 1.00 0.00 C ATOM 1563 CD2 PHE A 109 7.435 -1.078 -5.677 1.00 0.00 C ATOM 1564 CE1 PHE A 109 10.109 -0.481 -6.003 1.00 0.00 C ATOM 1565 CE2 PHE A 109 7.830 0.231 -5.875 1.00 0.00 C ATOM 1566 CZ PHE A 109 9.169 0.530 -6.040 1.00 0.00 C ATOM 0 H PHE A 109 6.257 -3.988 -7.384 1.00 0.00 H new ATOM 0 HA PHE A 109 9.175 -4.255 -7.021 1.00 0.00 H new ATOM 0 HB2 PHE A 109 6.876 -3.538 -5.167 1.00 0.00 H new ATOM 0 HB3 PHE A 109 8.475 -3.934 -4.569 1.00 0.00 H new ATOM 0 HD1 PHE A 109 10.447 -2.577 -5.780 1.00 0.00 H new ATOM 0 HD2 PHE A 109 6.387 -1.306 -5.550 1.00 0.00 H new ATOM 0 HE1 PHE A 109 11.156 -0.250 -6.129 1.00 0.00 H new ATOM 0 HE2 PHE A 109 7.093 1.020 -5.901 1.00 0.00 H new ATOM 0 HZ PHE A 109 9.480 1.552 -6.198 1.00 0.00 H new ATOM 1576 N LYS A 110 7.899 -6.762 -7.223 1.00 0.00 N ATOM 1577 CA LYS A 110 7.770 -8.193 -6.972 1.00 0.00 C ATOM 1578 C LYS A 110 8.989 -8.949 -7.491 1.00 0.00 C ATOM 1579 O LYS A 110 9.503 -9.848 -6.825 1.00 0.00 O ATOM 1580 CB LYS A 110 6.500 -8.735 -7.631 1.00 0.00 C ATOM 1581 CG LYS A 110 6.508 -8.625 -9.146 1.00 0.00 C ATOM 1582 CD LYS A 110 5.225 -9.169 -9.751 1.00 0.00 C ATOM 1583 CE LYS A 110 5.325 -10.663 -10.021 1.00 0.00 C ATOM 1584 NZ LYS A 110 4.005 -11.250 -10.381 1.00 0.00 N ATOM 0 H LYS A 110 7.868 -6.503 -8.209 1.00 0.00 H new ATOM 0 HA LYS A 110 7.704 -8.343 -5.894 1.00 0.00 H new ATOM 0 HB2 LYS A 110 6.373 -9.781 -7.351 1.00 0.00 H new ATOM 0 HB3 LYS A 110 5.638 -8.194 -7.240 1.00 0.00 H new ATOM 0 HG2 LYS A 110 6.634 -7.582 -9.435 1.00 0.00 H new ATOM 0 HG3 LYS A 110 7.361 -9.172 -9.547 1.00 0.00 H new ATOM 0 HD2 LYS A 110 4.392 -8.975 -9.075 1.00 0.00 H new ATOM 0 HD3 LYS A 110 5.009 -8.644 -10.681 1.00 0.00 H new ATOM 0 HE2 LYS A 110 6.034 -10.839 -10.830 1.00 0.00 H new ATOM 0 HE3 LYS A 110 5.718 -11.166 -9.138 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 4.115 -12.269 -10.557 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 3.335 -11.104 -9.599 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 3.642 -10.787 -11.239 1.00 0.00 H new