USER MOD reduce.3.24.130724 H: found=0, std=0, add=948, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 949 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 88 MET CE :methyl -121:sc= -1.26 (180deg=-6.55!) USER MOD Set 1.2: A 130 CYS SG : rot 177:sc= 1.1 USER MOD Single : A 16 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 GLN : amide:sc= 0.938 K(o=0.94,f=-0.011) USER MOD Single : A 22 TYR OH : rot 180:sc= -0.286 USER MOD Single : A 25 MET CE :methyl -169:sc= -0.0834 (180deg=-0.153) USER MOD Single : A 34 MET CE :methyl 164:sc= -1.84 (180deg=-3.43!) USER MOD Single : A 36 THR OG1 : rot 150:sc= 0 USER MOD Single : A 38 ASN : amide:sc= -0.406 K(o=-0.41,f=-2.3!) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 43 ASN : amide:sc= -1.17 X(o=-1.2,f=-1.5!) USER MOD Single : A 45 MET CE :methyl -164:sc= -1.49 (180deg=-2.01) USER MOD Single : A 46 THR OG1 : rot -79:sc= 0.218 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 57 ASN : amide:sc= -0.1 X(o=-0.1,f=-0.33) USER MOD Single : A 58 MET CE :methyl -166:sc= -6.91! (180deg=-7.42!) USER MOD Single : A 59 ASN : amide:sc= -5.04! C(o=-5!,f=-6.3!) USER MOD Single : A 64 THR OG1 : rot 180:sc= -0.137 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 ASN : amide:sc= -0.179 K(o=-0.18,f=-3.6!) USER MOD Single : A 80 CYS SG : rot 162:sc= -0.877 USER MOD Single : A 86 SER OG : rot -70:sc= -0.251 USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 HIS : no HD1:sc= -1.15 K(o=-1.2,f=-2.2) USER MOD Single : A 96 THR OG1 : rot -24:sc= 0.929 USER MOD Single : A 101 MET CE :methyl -156:sc= -0.0171 (180deg=-0.275) USER MOD Single : A 103 THR OG1 : rot -95:sc= 1.26 USER MOD Single : A 110 CYS SG : rot 180:sc= -1.31 USER MOD Single : A 111 HIS : no HD1:sc= -0.149 K(o=-0.15,f=-0.85) USER MOD Single : A 115 CYS SG : rot 90:sc= -3.97! USER MOD Single : A 118 ASN : amide:sc= -5.68! C(o=-5.7!,f=-17!) USER MOD Single : A 121 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 123 SER OG : rot -19:sc= 0.0548 USER MOD Single : A 127 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 163 HIS : no HE2:sc=-0.00543 K(o=-0.0054,f=-0.61) USER MOD Single : A 165 SER OG : rot 180:sc= 0 USER MOD Single : A 166 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 167 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 168 GLN : amide:sc= 0.894 K(o=0.89,f=-0.84) USER MOD Single : A 169 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 170 ASN : amide:sc= -1.39 K(o=-1.4,f=-2.5!) USER MOD Single : A 172 TYR OH : rot 180:sc= 0 USER MOD Single : A 174 ASN : amide:sc= -0.653 K(o=-0.65,f=-1.6) USER MOD ----------------------------------------------------------------- ATOM 178 N VAL A 15 7.177 0.278 14.076 1.00 0.00 N ATOM 179 CA VAL A 15 6.724 0.695 12.754 1.00 0.00 C ATOM 180 C VAL A 15 7.903 0.904 11.810 1.00 0.00 C ATOM 181 O VAL A 15 8.960 1.381 12.220 1.00 0.00 O ATOM 182 CB VAL A 15 5.901 1.994 12.826 1.00 0.00 C ATOM 183 CG1 VAL A 15 6.728 3.118 13.432 1.00 0.00 C ATOM 184 CG2 VAL A 15 5.393 2.381 11.445 1.00 0.00 C ATOM 0 HA VAL A 15 6.092 -0.105 12.369 1.00 0.00 H new ATOM 0 HB VAL A 15 5.039 1.821 13.470 1.00 0.00 H new ATOM 0 HG11 VAL A 15 6.129 4.028 13.475 1.00 0.00 H new ATOM 0 HG12 VAL A 15 7.037 2.840 14.439 1.00 0.00 H new ATOM 0 HG13 VAL A 15 7.611 3.293 12.817 1.00 0.00 H new ATOM 0 HG21 VAL A 15 4.813 3.301 11.515 1.00 0.00 H new ATOM 0 HG22 VAL A 15 6.240 2.535 10.776 1.00 0.00 H new ATOM 0 HG23 VAL A 15 4.762 1.584 11.053 1.00 0.00 H new ATOM 194 N GLN A 16 7.712 0.545 10.545 1.00 0.00 N ATOM 195 CA GLN A 16 8.760 0.694 9.542 1.00 0.00 C ATOM 196 C GLN A 16 8.401 1.783 8.537 1.00 0.00 C ATOM 197 O GLN A 16 7.290 1.811 8.006 1.00 0.00 O ATOM 198 CB GLN A 16 8.992 -0.632 8.815 1.00 0.00 C ATOM 199 CG GLN A 16 9.314 -1.789 9.748 1.00 0.00 C ATOM 200 CD GLN A 16 9.301 -3.130 9.040 1.00 0.00 C ATOM 201 OE1 GLN A 16 10.337 -3.615 8.585 1.00 0.00 O ATOM 202 NE2 GLN A 16 8.124 -3.737 8.944 1.00 0.00 N ATOM 0 H GLN A 16 6.842 0.149 10.190 1.00 0.00 H new ATOM 0 HA GLN A 16 9.678 0.985 10.053 1.00 0.00 H new ATOM 0 HB2 GLN A 16 8.102 -0.880 8.236 1.00 0.00 H new ATOM 0 HB3 GLN A 16 9.810 -0.510 8.106 1.00 0.00 H new ATOM 0 HG2 GLN A 16 10.295 -1.628 10.195 1.00 0.00 H new ATOM 0 HG3 GLN A 16 8.591 -1.806 10.563 1.00 0.00 H new ATOM 0 HE21 GLN A 16 7.291 -3.298 9.336 1.00 0.00 H new ATOM 0 HE22 GLN A 16 8.053 -4.642 8.479 1.00 0.00 H new ATOM 211 N LYS A 17 9.348 2.679 8.279 1.00 0.00 N ATOM 212 CA LYS A 17 9.133 3.770 7.337 1.00 0.00 C ATOM 213 C LYS A 17 9.699 3.422 5.964 1.00 0.00 C ATOM 214 O LYS A 17 10.728 2.756 5.856 1.00 0.00 O ATOM 215 CB LYS A 17 9.781 5.055 7.857 1.00 0.00 C ATOM 216 CG LYS A 17 9.117 5.609 9.106 1.00 0.00 C ATOM 217 CD LYS A 17 10.030 6.577 9.840 1.00 0.00 C ATOM 218 CE LYS A 17 9.490 6.913 11.222 1.00 0.00 C ATOM 219 NZ LYS A 17 10.049 8.192 11.739 1.00 0.00 N ATOM 0 H LYS A 17 10.272 2.670 8.710 1.00 0.00 H new ATOM 0 HA LYS A 17 8.059 3.926 7.239 1.00 0.00 H new ATOM 0 HB2 LYS A 17 10.832 4.861 8.070 1.00 0.00 H new ATOM 0 HB3 LYS A 17 9.749 5.811 7.073 1.00 0.00 H new ATOM 0 HG2 LYS A 17 8.192 6.116 8.833 1.00 0.00 H new ATOM 0 HG3 LYS A 17 8.846 4.788 9.770 1.00 0.00 H new ATOM 0 HD2 LYS A 17 11.025 6.141 9.933 1.00 0.00 H new ATOM 0 HD3 LYS A 17 10.136 7.492 9.257 1.00 0.00 H new ATOM 0 HE2 LYS A 17 8.403 6.982 11.180 1.00 0.00 H new ATOM 0 HE3 LYS A 17 9.732 6.105 11.913 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 9.657 8.386 12.683 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 11.084 8.118 11.803 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 9.797 8.967 11.093 1.00 0.00 H new ATOM 233 N PHE A 18 9.020 3.879 4.916 1.00 0.00 N ATOM 234 CA PHE A 18 9.456 3.616 3.549 1.00 0.00 C ATOM 235 C PHE A 18 9.423 4.892 2.714 1.00 0.00 C ATOM 236 O PHE A 18 8.397 5.567 2.631 1.00 0.00 O ATOM 237 CB PHE A 18 8.569 2.548 2.905 1.00 0.00 C ATOM 238 CG PHE A 18 8.583 1.237 3.637 1.00 0.00 C ATOM 239 CD1 PHE A 18 9.640 0.354 3.483 1.00 0.00 C ATOM 240 CD2 PHE A 18 7.539 0.886 4.478 1.00 0.00 C ATOM 241 CE1 PHE A 18 9.656 -0.854 4.155 1.00 0.00 C ATOM 242 CE2 PHE A 18 7.550 -0.320 5.153 1.00 0.00 C ATOM 243 CZ PHE A 18 8.609 -1.192 4.990 1.00 0.00 C ATOM 0 H PHE A 18 8.166 4.433 4.987 1.00 0.00 H new ATOM 0 HA PHE A 18 10.483 3.252 3.585 1.00 0.00 H new ATOM 0 HB2 PHE A 18 7.545 2.918 2.858 1.00 0.00 H new ATOM 0 HB3 PHE A 18 8.897 2.385 1.878 1.00 0.00 H new ATOM 0 HD1 PHE A 18 10.461 0.613 2.830 1.00 0.00 H new ATOM 0 HD2 PHE A 18 6.707 1.563 4.607 1.00 0.00 H new ATOM 0 HE1 PHE A 18 10.486 -1.533 4.027 1.00 0.00 H new ATOM 0 HE2 PHE A 18 6.731 -0.580 5.807 1.00 0.00 H new ATOM 0 HZ PHE A 18 8.618 -2.136 5.514 1.00 0.00 H new ATOM 253 N ARG A 19 10.554 5.217 2.096 1.00 0.00 N ATOM 254 CA ARG A 19 10.656 6.413 1.268 1.00 0.00 C ATOM 255 C ARG A 19 9.839 6.259 -0.012 1.00 0.00 C ATOM 256 O ARG A 19 10.096 5.368 -0.822 1.00 0.00 O ATOM 257 CB ARG A 19 12.119 6.695 0.921 1.00 0.00 C ATOM 258 CG ARG A 19 12.328 8.007 0.182 1.00 0.00 C ATOM 259 CD ARG A 19 12.242 7.818 -1.324 1.00 0.00 C ATOM 260 NE ARG A 19 13.535 7.470 -1.907 1.00 0.00 N ATOM 261 CZ ARG A 19 14.564 8.309 -1.967 1.00 0.00 C ATOM 262 NH1 ARG A 19 14.451 9.538 -1.483 1.00 0.00 N ATOM 263 NH2 ARG A 19 15.708 7.918 -2.513 1.00 0.00 N ATOM 0 H ARG A 19 11.412 4.669 2.153 1.00 0.00 H new ATOM 0 HA ARG A 19 10.256 7.253 1.835 1.00 0.00 H new ATOM 0 HB2 ARG A 19 12.705 6.708 1.840 1.00 0.00 H new ATOM 0 HB3 ARG A 19 12.502 5.878 0.309 1.00 0.00 H new ATOM 0 HG2 ARG A 19 11.578 8.730 0.502 1.00 0.00 H new ATOM 0 HG3 ARG A 19 13.302 8.422 0.443 1.00 0.00 H new ATOM 0 HD2 ARG A 19 11.520 7.034 -1.550 1.00 0.00 H new ATOM 0 HD3 ARG A 19 11.872 8.734 -1.784 1.00 0.00 H new ATOM 0 HE ARG A 19 13.655 6.532 -2.289 1.00 0.00 H new ATOM 0 HH11 ARG A 19 13.573 9.842 -1.063 1.00 0.00 H new ATOM 0 HH12 ARG A 19 15.243 10.180 -1.530 1.00 0.00 H new ATOM 0 HH21 ARG A 19 15.798 6.973 -2.887 1.00 0.00 H new ATOM 0 HH22 ARG A 19 16.498 8.562 -2.559 1.00 0.00 H new ATOM 277 N VAL A 20 8.854 7.134 -0.187 1.00 0.00 N ATOM 278 CA VAL A 20 7.999 7.096 -1.368 1.00 0.00 C ATOM 279 C VAL A 20 7.418 8.473 -1.669 1.00 0.00 C ATOM 280 O VAL A 20 7.706 9.445 -0.972 1.00 0.00 O ATOM 281 CB VAL A 20 6.846 6.091 -1.194 1.00 0.00 C ATOM 282 CG1 VAL A 20 7.389 4.688 -0.973 1.00 0.00 C ATOM 283 CG2 VAL A 20 5.943 6.510 -0.044 1.00 0.00 C ATOM 0 H VAL A 20 8.628 7.878 0.474 1.00 0.00 H new ATOM 0 HA VAL A 20 8.624 6.778 -2.202 1.00 0.00 H new ATOM 0 HB VAL A 20 6.252 6.084 -2.108 1.00 0.00 H new ATOM 0 HG11 VAL A 20 6.559 3.992 -0.852 1.00 0.00 H new ATOM 0 HG12 VAL A 20 7.990 4.391 -1.833 1.00 0.00 H new ATOM 0 HG13 VAL A 20 8.008 4.674 -0.076 1.00 0.00 H new ATOM 0 HG21 VAL A 20 5.133 5.788 0.065 1.00 0.00 H new ATOM 0 HG22 VAL A 20 6.522 6.547 0.879 1.00 0.00 H new ATOM 0 HG23 VAL A 20 5.525 7.495 -0.250 1.00 0.00 H new ATOM 293 N GLN A 21 6.598 8.547 -2.713 1.00 0.00 N ATOM 294 CA GLN A 21 5.976 9.806 -3.107 1.00 0.00 C ATOM 295 C GLN A 21 4.456 9.712 -3.023 1.00 0.00 C ATOM 296 O GLN A 21 3.895 8.618 -2.943 1.00 0.00 O ATOM 297 CB GLN A 21 6.398 10.185 -4.527 1.00 0.00 C ATOM 298 CG GLN A 21 7.742 10.891 -4.595 1.00 0.00 C ATOM 299 CD GLN A 21 8.253 11.038 -6.015 1.00 0.00 C ATOM 300 OE1 GLN A 21 9.038 10.218 -6.492 1.00 0.00 O ATOM 301 NE2 GLN A 21 7.810 12.087 -6.698 1.00 0.00 N ATOM 0 H GLN A 21 6.349 7.751 -3.300 1.00 0.00 H new ATOM 0 HA GLN A 21 6.312 10.580 -2.417 1.00 0.00 H new ATOM 0 HB2 GLN A 21 6.440 9.283 -5.137 1.00 0.00 H new ATOM 0 HB3 GLN A 21 5.636 10.830 -4.963 1.00 0.00 H new ATOM 0 HG2 GLN A 21 7.653 11.878 -4.141 1.00 0.00 H new ATOM 0 HG3 GLN A 21 8.471 10.334 -4.006 1.00 0.00 H new ATOM 0 HE21 GLN A 21 7.160 12.741 -6.263 1.00 0.00 H new ATOM 0 HE22 GLN A 21 8.120 12.238 -7.658 1.00 0.00 H new ATOM 310 N TYR A 22 3.795 10.864 -3.041 1.00 0.00 N ATOM 311 CA TYR A 22 2.340 10.911 -2.964 1.00 0.00 C ATOM 312 C TYR A 22 1.745 11.486 -4.246 1.00 0.00 C ATOM 313 O TYR A 22 1.861 12.682 -4.517 1.00 0.00 O ATOM 314 CB TYR A 22 1.899 11.750 -1.763 1.00 0.00 C ATOM 315 CG TYR A 22 0.398 11.810 -1.585 1.00 0.00 C ATOM 316 CD1 TYR A 22 -0.400 10.710 -1.874 1.00 0.00 C ATOM 317 CD2 TYR A 22 -0.220 12.967 -1.128 1.00 0.00 C ATOM 318 CE1 TYR A 22 -1.771 10.761 -1.713 1.00 0.00 C ATOM 319 CE2 TYR A 22 -1.591 13.027 -0.963 1.00 0.00 C ATOM 320 CZ TYR A 22 -2.362 11.922 -1.257 1.00 0.00 C ATOM 321 OH TYR A 22 -3.727 11.976 -1.095 1.00 0.00 O ATOM 0 H TYR A 22 4.244 11.778 -3.108 1.00 0.00 H new ATOM 0 HA TYR A 22 1.975 9.891 -2.841 1.00 0.00 H new ATOM 0 HB2 TYR A 22 2.348 11.339 -0.859 1.00 0.00 H new ATOM 0 HB3 TYR A 22 2.284 12.763 -1.877 1.00 0.00 H new ATOM 0 HD1 TYR A 22 0.059 9.800 -2.230 1.00 0.00 H new ATOM 0 HD2 TYR A 22 0.381 13.834 -0.898 1.00 0.00 H new ATOM 0 HE1 TYR A 22 -2.377 9.897 -1.943 1.00 0.00 H new ATOM 0 HE2 TYR A 22 -2.056 13.934 -0.606 1.00 0.00 H new ATOM 0 HH TYR A 22 -3.983 12.863 -0.766 1.00 0.00 H new ATOM 331 N LEU A 23 1.107 10.626 -5.032 1.00 0.00 N ATOM 332 CA LEU A 23 0.492 11.046 -6.286 1.00 0.00 C ATOM 333 C LEU A 23 -0.800 11.816 -6.028 1.00 0.00 C ATOM 334 O LEU A 23 -1.096 12.796 -6.709 1.00 0.00 O ATOM 335 CB LEU A 23 0.206 9.830 -7.169 1.00 0.00 C ATOM 336 CG LEU A 23 1.430 9.118 -7.746 1.00 0.00 C ATOM 337 CD1 LEU A 23 2.018 8.156 -6.725 1.00 0.00 C ATOM 338 CD2 LEU A 23 1.064 8.381 -9.026 1.00 0.00 C ATOM 0 H LEU A 23 1.002 9.633 -4.823 1.00 0.00 H new ATOM 0 HA LEU A 23 1.190 11.706 -6.801 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -0.368 9.109 -6.586 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -0.428 10.148 -7.996 1.00 0.00 H new ATOM 0 HG LEU A 23 2.184 9.868 -7.985 1.00 0.00 H new ATOM 0 HD11 LEU A 23 2.888 7.658 -7.153 1.00 0.00 H new ATOM 0 HD12 LEU A 23 2.318 8.709 -5.835 1.00 0.00 H new ATOM 0 HD13 LEU A 23 1.270 7.411 -6.455 1.00 0.00 H new ATOM 0 HD21 LEU A 23 1.947 7.880 -9.423 1.00 0.00 H new ATOM 0 HD22 LEU A 23 0.293 7.641 -8.812 1.00 0.00 H new ATOM 0 HD23 LEU A 23 0.690 9.093 -9.761 1.00 0.00 H new ATOM 350 N GLY A 24 -1.564 11.365 -5.038 1.00 0.00 N ATOM 351 CA GLY A 24 -2.813 12.024 -4.706 1.00 0.00 C ATOM 352 C GLY A 24 -3.874 11.051 -4.231 1.00 0.00 C ATOM 353 O GLY A 24 -3.588 9.877 -3.997 1.00 0.00 O ATOM 0 H GLY A 24 -1.340 10.555 -4.460 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -2.633 12.768 -3.930 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -3.181 12.560 -5.581 1.00 0.00 H new ATOM 357 N MET A 25 -5.101 11.540 -4.086 1.00 0.00 N ATOM 358 CA MET A 25 -6.208 10.704 -3.635 1.00 0.00 C ATOM 359 C MET A 25 -7.286 10.604 -4.709 1.00 0.00 C ATOM 360 O MET A 25 -7.588 11.583 -5.394 1.00 0.00 O ATOM 361 CB MET A 25 -6.807 11.268 -2.345 1.00 0.00 C ATOM 362 CG MET A 25 -7.512 10.223 -1.495 1.00 0.00 C ATOM 363 SD MET A 25 -9.173 9.848 -2.090 1.00 0.00 S ATOM 364 CE MET A 25 -10.078 11.270 -1.484 1.00 0.00 C ATOM 0 H MET A 25 -5.354 12.510 -4.274 1.00 0.00 H new ATOM 0 HA MET A 25 -5.821 9.704 -3.441 1.00 0.00 H new ATOM 0 HB2 MET A 25 -6.013 11.728 -1.756 1.00 0.00 H new ATOM 0 HB3 MET A 25 -7.515 12.057 -2.598 1.00 0.00 H new ATOM 0 HG2 MET A 25 -6.919 9.308 -1.485 1.00 0.00 H new ATOM 0 HG3 MET A 25 -7.570 10.577 -0.466 1.00 0.00 H new ATOM 0 HE1 MET A 25 -11.148 11.096 -1.598 1.00 0.00 H new ATOM 0 HE2 MET A 25 -9.846 11.427 -0.431 1.00 0.00 H new ATOM 0 HE3 MET A 25 -9.791 12.154 -2.054 1.00 0.00 H new ATOM 374 N LEU A 26 -7.864 9.417 -4.851 1.00 0.00 N ATOM 375 CA LEU A 26 -8.910 9.188 -5.843 1.00 0.00 C ATOM 376 C LEU A 26 -9.950 8.202 -5.321 1.00 0.00 C ATOM 377 O LEU A 26 -9.650 7.046 -5.023 1.00 0.00 O ATOM 378 CB LEU A 26 -8.300 8.663 -7.144 1.00 0.00 C ATOM 379 CG LEU A 26 -9.078 8.974 -8.423 1.00 0.00 C ATOM 380 CD1 LEU A 26 -10.440 8.297 -8.398 1.00 0.00 C ATOM 381 CD2 LEU A 26 -9.231 10.478 -8.602 1.00 0.00 C ATOM 0 H LEU A 26 -7.627 8.597 -4.292 1.00 0.00 H new ATOM 0 HA LEU A 26 -9.405 10.139 -6.039 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -7.296 9.076 -7.244 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -8.193 7.581 -7.061 1.00 0.00 H new ATOM 0 HG LEU A 26 -8.516 8.582 -9.271 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -10.979 8.530 -9.316 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -10.309 7.218 -8.318 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -11.010 8.657 -7.542 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -9.787 10.681 -9.517 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -9.770 10.893 -7.750 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -8.245 10.939 -8.667 1.00 0.00 H new ATOM 393 N PRO A 27 -11.203 8.667 -5.208 1.00 0.00 N ATOM 394 CA PRO A 27 -12.313 7.842 -4.725 1.00 0.00 C ATOM 395 C PRO A 27 -12.702 6.753 -5.719 1.00 0.00 C ATOM 396 O PRO A 27 -12.651 6.959 -6.932 1.00 0.00 O ATOM 397 CB PRO A 27 -13.456 8.847 -4.558 1.00 0.00 C ATOM 398 CG PRO A 27 -13.133 9.949 -5.507 1.00 0.00 C ATOM 399 CD PRO A 27 -11.632 10.035 -5.545 1.00 0.00 C ATOM 0 HA PRO A 27 -12.057 7.311 -3.808 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -14.419 8.393 -4.791 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -13.515 9.212 -3.533 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -13.537 9.742 -6.498 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -13.570 10.891 -5.175 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -11.272 10.338 -6.528 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -11.253 10.763 -4.828 1.00 0.00 H new ATOM 407 N VAL A 28 -13.092 5.594 -5.199 1.00 0.00 N ATOM 408 CA VAL A 28 -13.491 4.473 -6.041 1.00 0.00 C ATOM 409 C VAL A 28 -14.947 4.094 -5.798 1.00 0.00 C ATOM 410 O VAL A 28 -15.485 4.318 -4.713 1.00 0.00 O ATOM 411 CB VAL A 28 -12.602 3.240 -5.793 1.00 0.00 C ATOM 412 CG1 VAL A 28 -11.168 3.521 -6.214 1.00 0.00 C ATOM 413 CG2 VAL A 28 -12.666 2.824 -4.331 1.00 0.00 C ATOM 0 H VAL A 28 -13.140 5.407 -4.197 1.00 0.00 H new ATOM 0 HA VAL A 28 -13.371 4.796 -7.075 1.00 0.00 H new ATOM 0 HB VAL A 28 -12.977 2.415 -6.399 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -10.555 2.638 -6.031 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -11.142 3.767 -7.276 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -10.777 4.360 -5.638 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -12.032 1.951 -4.173 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -12.317 3.644 -3.704 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -13.695 2.578 -4.067 1.00 0.00 H new ATOM 423 N ASP A 29 -15.581 3.518 -6.814 1.00 0.00 N ATOM 424 CA ASP A 29 -16.975 3.106 -6.710 1.00 0.00 C ATOM 425 C ASP A 29 -17.088 1.726 -6.069 1.00 0.00 C ATOM 426 O ASP A 29 -18.031 1.451 -5.326 1.00 0.00 O ATOM 427 CB ASP A 29 -17.630 3.095 -8.093 1.00 0.00 C ATOM 428 CG ASP A 29 -17.452 4.408 -8.828 1.00 0.00 C ATOM 429 OD1 ASP A 29 -17.837 5.457 -8.271 1.00 0.00 O ATOM 430 OD2 ASP A 29 -16.927 4.387 -9.962 1.00 0.00 O ATOM 0 H ASP A 29 -15.151 3.326 -7.719 1.00 0.00 H new ATOM 0 HA ASP A 29 -17.494 3.825 -6.076 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -17.202 2.288 -8.688 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -18.694 2.883 -7.986 1.00 0.00 H new ATOM 435 N ARG A 30 -16.122 0.863 -6.362 1.00 0.00 N ATOM 436 CA ARG A 30 -16.114 -0.489 -5.816 1.00 0.00 C ATOM 437 C ARG A 30 -14.948 -0.679 -4.850 1.00 0.00 C ATOM 438 O ARG A 30 -13.861 -0.131 -5.035 1.00 0.00 O ATOM 439 CB ARG A 30 -16.026 -1.518 -6.945 1.00 0.00 C ATOM 440 CG ARG A 30 -17.379 -1.913 -7.515 1.00 0.00 C ATOM 441 CD ARG A 30 -17.236 -2.933 -8.634 1.00 0.00 C ATOM 442 NE ARG A 30 -18.477 -3.100 -9.384 1.00 0.00 N ATOM 443 CZ ARG A 30 -19.470 -3.893 -8.997 1.00 0.00 C ATOM 444 NH1 ARG A 30 -19.367 -4.588 -7.872 1.00 0.00 N ATOM 445 NH2 ARG A 30 -20.568 -3.992 -9.734 1.00 0.00 N ATOM 0 H ARG A 30 -15.334 1.075 -6.974 1.00 0.00 H new ATOM 0 HA ARG A 30 -17.045 -0.638 -5.269 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -15.407 -1.114 -7.746 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -15.523 -2.411 -6.573 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -18.002 -2.326 -6.722 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -17.889 -1.027 -7.892 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -16.442 -2.619 -9.312 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -16.935 -3.892 -8.214 1.00 0.00 H new ATOM 0 HE ARG A 30 -18.588 -2.579 -10.254 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -18.524 -4.514 -7.302 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -20.131 -5.196 -7.577 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -20.651 -3.459 -10.600 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -21.329 -4.601 -9.435 1.00 0.00 H new ATOM 459 N PRO A 31 -15.178 -1.472 -3.793 1.00 0.00 N ATOM 460 CA PRO A 31 -14.159 -1.751 -2.776 1.00 0.00 C ATOM 461 C PRO A 31 -13.032 -2.627 -3.312 1.00 0.00 C ATOM 462 O PRO A 31 -11.906 -2.579 -2.816 1.00 0.00 O ATOM 463 CB PRO A 31 -14.939 -2.491 -1.686 1.00 0.00 C ATOM 464 CG PRO A 31 -16.094 -3.106 -2.398 1.00 0.00 C ATOM 465 CD PRO A 31 -16.450 -2.156 -3.508 1.00 0.00 C ATOM 0 HA PRO A 31 -13.671 -0.841 -2.427 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -14.322 -3.249 -1.203 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -15.273 -1.808 -0.905 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -15.831 -4.087 -2.793 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -16.937 -3.250 -1.722 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -16.827 -2.684 -4.384 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -17.225 -1.453 -3.202 1.00 0.00 H new ATOM 473 N VAL A 32 -13.341 -3.427 -4.327 1.00 0.00 N ATOM 474 CA VAL A 32 -12.353 -4.313 -4.931 1.00 0.00 C ATOM 475 C VAL A 32 -12.417 -4.252 -6.453 1.00 0.00 C ATOM 476 O VAL A 32 -13.305 -3.618 -7.022 1.00 0.00 O ATOM 477 CB VAL A 32 -12.555 -5.771 -4.478 1.00 0.00 C ATOM 478 CG1 VAL A 32 -12.425 -5.884 -2.967 1.00 0.00 C ATOM 479 CG2 VAL A 32 -13.905 -6.292 -4.946 1.00 0.00 C ATOM 0 H VAL A 32 -14.268 -3.480 -4.749 1.00 0.00 H new ATOM 0 HA VAL A 32 -11.374 -3.969 -4.597 1.00 0.00 H new ATOM 0 HB VAL A 32 -11.777 -6.385 -4.932 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -12.571 -6.921 -2.666 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -11.432 -5.554 -2.662 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -13.179 -5.258 -2.489 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -14.031 -7.324 -4.617 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -14.699 -5.677 -4.523 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -13.954 -6.250 -6.034 1.00 0.00 H new ATOM 489 N GLY A 33 -11.469 -4.915 -7.107 1.00 0.00 N ATOM 490 CA GLY A 33 -11.436 -4.924 -8.558 1.00 0.00 C ATOM 491 C GLY A 33 -10.271 -4.131 -9.116 1.00 0.00 C ATOM 492 O GLY A 33 -10.307 -2.902 -9.148 1.00 0.00 O ATOM 0 H GLY A 33 -10.723 -5.446 -6.658 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -11.373 -5.953 -8.911 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -12.369 -4.512 -8.942 1.00 0.00 H new ATOM 496 N MET A 34 -9.234 -4.837 -9.556 1.00 0.00 N ATOM 497 CA MET A 34 -8.052 -4.190 -10.116 1.00 0.00 C ATOM 498 C MET A 34 -8.447 -3.042 -11.040 1.00 0.00 C ATOM 499 O MET A 34 -7.995 -1.910 -10.866 1.00 0.00 O ATOM 500 CB MET A 34 -7.202 -5.206 -10.880 1.00 0.00 C ATOM 501 CG MET A 34 -6.180 -5.920 -10.010 1.00 0.00 C ATOM 502 SD MET A 34 -4.617 -5.027 -9.900 1.00 0.00 S ATOM 503 CE MET A 34 -4.982 -3.868 -8.584 1.00 0.00 C ATOM 0 H MET A 34 -9.188 -5.856 -9.536 1.00 0.00 H new ATOM 0 HA MET A 34 -7.466 -3.784 -9.292 1.00 0.00 H new ATOM 0 HB2 MET A 34 -7.859 -5.946 -11.337 1.00 0.00 H new ATOM 0 HB3 MET A 34 -6.683 -4.696 -11.692 1.00 0.00 H new ATOM 0 HG2 MET A 34 -6.590 -6.052 -9.009 1.00 0.00 H new ATOM 0 HG3 MET A 34 -5.997 -6.916 -10.414 1.00 0.00 H new ATOM 0 HE1 MET A 34 -4.052 -3.445 -8.204 1.00 0.00 H new ATOM 0 HE2 MET A 34 -5.615 -3.068 -8.969 1.00 0.00 H new ATOM 0 HE3 MET A 34 -5.502 -4.385 -7.777 1.00 0.00 H new ATOM 513 N ASP A 35 -9.290 -3.342 -12.021 1.00 0.00 N ATOM 514 CA ASP A 35 -9.746 -2.335 -12.972 1.00 0.00 C ATOM 515 C ASP A 35 -10.157 -1.054 -12.252 1.00 0.00 C ATOM 516 O ASP A 35 -9.857 0.050 -12.707 1.00 0.00 O ATOM 517 CB ASP A 35 -10.919 -2.872 -13.794 1.00 0.00 C ATOM 518 CG ASP A 35 -12.175 -3.049 -12.963 1.00 0.00 C ATOM 519 OD1 ASP A 35 -12.078 -3.614 -11.853 1.00 0.00 O ATOM 520 OD2 ASP A 35 -13.254 -2.621 -13.422 1.00 0.00 O ATOM 0 H ASP A 35 -9.672 -4.275 -12.179 1.00 0.00 H new ATOM 0 HA ASP A 35 -8.919 -2.104 -13.643 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -11.125 -2.188 -14.618 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -10.641 -3.829 -14.236 1.00 0.00 H new ATOM 525 N THR A 36 -10.847 -1.210 -11.127 1.00 0.00 N ATOM 526 CA THR A 36 -11.302 -0.067 -10.345 1.00 0.00 C ATOM 527 C THR A 36 -10.137 0.611 -9.633 1.00 0.00 C ATOM 528 O THR A 36 -10.058 1.839 -9.580 1.00 0.00 O ATOM 529 CB THR A 36 -12.354 -0.483 -9.301 1.00 0.00 C ATOM 530 OG1 THR A 36 -13.525 -0.982 -9.957 1.00 0.00 O ATOM 531 CG2 THR A 36 -12.727 0.692 -8.410 1.00 0.00 C ATOM 0 H THR A 36 -11.103 -2.117 -10.737 1.00 0.00 H new ATOM 0 HA THR A 36 -11.754 0.635 -11.046 1.00 0.00 H new ATOM 0 HB THR A 36 -11.925 -1.268 -8.678 1.00 0.00 H new ATOM 0 HG1 THR A 36 -13.958 -1.652 -9.388 1.00 0.00 H new ATOM 0 HG21 THR A 36 -13.472 0.373 -7.681 1.00 0.00 H new ATOM 0 HG22 THR A 36 -11.839 1.050 -7.889 1.00 0.00 H new ATOM 0 HG23 THR A 36 -13.138 1.496 -9.021 1.00 0.00 H new ATOM 539 N LEU A 37 -9.232 -0.195 -9.089 1.00 0.00 N ATOM 540 CA LEU A 37 -8.069 0.327 -8.380 1.00 0.00 C ATOM 541 C LEU A 37 -7.189 1.152 -9.313 1.00 0.00 C ATOM 542 O LEU A 37 -6.885 2.311 -9.032 1.00 0.00 O ATOM 543 CB LEU A 37 -7.257 -0.820 -7.777 1.00 0.00 C ATOM 544 CG LEU A 37 -6.091 -0.415 -6.874 1.00 0.00 C ATOM 545 CD1 LEU A 37 -5.850 -1.472 -5.807 1.00 0.00 C ATOM 546 CD2 LEU A 37 -4.832 -0.189 -7.698 1.00 0.00 C ATOM 0 H LEU A 37 -9.281 -1.213 -9.125 1.00 0.00 H new ATOM 0 HA LEU A 37 -8.423 0.974 -7.577 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -7.932 -1.454 -7.202 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -6.865 -1.429 -8.592 1.00 0.00 H new ATOM 0 HG LEU A 37 -6.349 0.520 -6.377 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -5.017 -1.167 -5.174 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -6.747 -1.585 -5.197 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -5.614 -2.423 -6.284 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -4.013 0.098 -7.039 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -4.571 -1.108 -8.222 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -5.010 0.605 -8.424 1.00 0.00 H new ATOM 558 N ASN A 38 -6.784 0.548 -10.425 1.00 0.00 N ATOM 559 CA ASN A 38 -5.940 1.227 -11.401 1.00 0.00 C ATOM 560 C ASN A 38 -6.610 2.501 -11.907 1.00 0.00 C ATOM 561 O ASN A 38 -5.940 3.482 -12.228 1.00 0.00 O ATOM 562 CB ASN A 38 -5.633 0.297 -12.577 1.00 0.00 C ATOM 563 CG ASN A 38 -4.444 -0.604 -12.306 1.00 0.00 C ATOM 564 OD1 ASN A 38 -3.313 -0.287 -12.676 1.00 0.00 O ATOM 565 ND2 ASN A 38 -4.695 -1.735 -11.657 1.00 0.00 N ATOM 0 H ASN A 38 -7.027 -0.411 -10.673 1.00 0.00 H new ATOM 0 HA ASN A 38 -5.006 1.499 -10.909 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -6.509 -0.316 -12.790 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -5.437 0.894 -13.468 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -3.935 -2.382 -11.446 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -5.648 -1.957 -11.369 1.00 0.00 H new ATOM 572 N SER A 39 -7.937 2.478 -11.975 1.00 0.00 N ATOM 573 CA SER A 39 -8.699 3.629 -12.445 1.00 0.00 C ATOM 574 C SER A 39 -8.419 4.855 -11.580 1.00 0.00 C ATOM 575 O SER A 39 -8.482 5.989 -12.053 1.00 0.00 O ATOM 576 CB SER A 39 -10.196 3.315 -12.435 1.00 0.00 C ATOM 577 OG SER A 39 -10.908 4.198 -13.284 1.00 0.00 O ATOM 0 H SER A 39 -8.507 1.675 -11.710 1.00 0.00 H new ATOM 0 HA SER A 39 -8.388 3.847 -13.467 1.00 0.00 H new ATOM 0 HB2 SER A 39 -10.357 2.286 -12.758 1.00 0.00 H new ATOM 0 HB3 SER A 39 -10.581 3.394 -11.418 1.00 0.00 H new ATOM 0 HG SER A 39 -11.862 3.975 -13.261 1.00 0.00 H new ATOM 583 N ALA A 40 -8.111 4.617 -10.309 1.00 0.00 N ATOM 584 CA ALA A 40 -7.820 5.700 -9.378 1.00 0.00 C ATOM 585 C ALA A 40 -6.381 6.181 -9.529 1.00 0.00 C ATOM 586 O ALA A 40 -6.074 7.343 -9.261 1.00 0.00 O ATOM 587 CB ALA A 40 -8.082 5.251 -7.948 1.00 0.00 C ATOM 0 H ALA A 40 -8.057 3.684 -9.901 1.00 0.00 H new ATOM 0 HA ALA A 40 -8.481 6.535 -9.611 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -7.861 6.070 -7.263 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -9.128 4.963 -7.843 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -7.445 4.398 -7.712 1.00 0.00 H new ATOM 593 N ILE A 41 -5.503 5.281 -9.957 1.00 0.00 N ATOM 594 CA ILE A 41 -4.096 5.615 -10.143 1.00 0.00 C ATOM 595 C ILE A 41 -3.910 6.582 -11.307 1.00 0.00 C ATOM 596 O ILE A 41 -3.416 7.695 -11.129 1.00 0.00 O ATOM 597 CB ILE A 41 -3.247 4.355 -10.397 1.00 0.00 C ATOM 598 CG1 ILE A 41 -3.607 3.260 -9.390 1.00 0.00 C ATOM 599 CG2 ILE A 41 -1.765 4.690 -10.317 1.00 0.00 C ATOM 600 CD1 ILE A 41 -2.718 2.039 -9.482 1.00 0.00 C ATOM 0 H ILE A 41 -5.741 4.315 -10.182 1.00 0.00 H new ATOM 0 HA ILE A 41 -3.760 6.090 -9.221 1.00 0.00 H new ATOM 0 HB ILE A 41 -3.462 3.985 -11.400 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -3.545 3.670 -8.382 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -4.642 2.958 -9.548 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -1.178 3.790 -10.499 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -1.520 5.440 -11.069 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -1.533 5.080 -9.326 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -3.031 1.305 -8.740 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -2.798 1.605 -10.478 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -1.684 2.327 -9.294 1.00 0.00 H new ATOM 612 N GLU A 42 -4.311 6.150 -12.499 1.00 0.00 N ATOM 613 CA GLU A 42 -4.189 6.979 -13.692 1.00 0.00 C ATOM 614 C GLU A 42 -4.826 8.348 -13.471 1.00 0.00 C ATOM 615 O GLU A 42 -4.221 9.380 -13.757 1.00 0.00 O ATOM 616 CB GLU A 42 -4.842 6.287 -14.890 1.00 0.00 C ATOM 617 CG GLU A 42 -3.896 5.382 -15.661 1.00 0.00 C ATOM 618 CD GLU A 42 -2.996 6.150 -16.609 1.00 0.00 C ATOM 619 OE1 GLU A 42 -3.520 6.966 -17.395 1.00 0.00 O ATOM 620 OE2 GLU A 42 -1.766 5.936 -16.564 1.00 0.00 O ATOM 0 H GLU A 42 -4.723 5.231 -12.664 1.00 0.00 H new ATOM 0 HA GLU A 42 -3.128 7.121 -13.898 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -5.690 5.698 -14.541 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -5.237 7.045 -15.566 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -3.281 4.821 -14.957 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -4.477 4.654 -16.227 1.00 0.00 H new ATOM 627 N ASN A 43 -6.054 8.347 -12.961 1.00 0.00 N ATOM 628 CA ASN A 43 -6.775 9.587 -12.703 1.00 0.00 C ATOM 629 C ASN A 43 -5.850 10.638 -12.096 1.00 0.00 C ATOM 630 O ASN A 43 -5.927 11.819 -12.436 1.00 0.00 O ATOM 631 CB ASN A 43 -7.957 9.329 -11.766 1.00 0.00 C ATOM 632 CG ASN A 43 -9.226 8.979 -12.519 1.00 0.00 C ATOM 633 OD1 ASN A 43 -9.475 9.493 -13.610 1.00 0.00 O ATOM 634 ND2 ASN A 43 -10.035 8.101 -11.938 1.00 0.00 N ATOM 0 H ASN A 43 -6.570 7.501 -12.719 1.00 0.00 H new ATOM 0 HA ASN A 43 -7.150 9.965 -13.654 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -7.706 8.516 -11.085 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -8.133 10.214 -11.155 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -10.904 7.827 -12.397 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -9.788 7.701 -11.033 1.00 0.00 H new ATOM 641 N LEU A 44 -4.977 10.200 -11.196 1.00 0.00 N ATOM 642 CA LEU A 44 -4.036 11.102 -10.541 1.00 0.00 C ATOM 643 C LEU A 44 -2.812 11.344 -11.419 1.00 0.00 C ATOM 644 O LEU A 44 -2.497 12.483 -11.761 1.00 0.00 O ATOM 645 CB LEU A 44 -3.603 10.527 -9.191 1.00 0.00 C ATOM 646 CG LEU A 44 -4.730 10.169 -8.222 1.00 0.00 C ATOM 647 CD1 LEU A 44 -4.273 9.099 -7.243 1.00 0.00 C ATOM 648 CD2 LEU A 44 -5.206 11.408 -7.477 1.00 0.00 C ATOM 0 H LEU A 44 -4.901 9.226 -10.903 1.00 0.00 H new ATOM 0 HA LEU A 44 -4.538 12.056 -10.379 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -3.010 9.631 -9.374 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -2.948 11.249 -8.704 1.00 0.00 H new ATOM 0 HG LEU A 44 -5.566 9.772 -8.798 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -5.089 8.857 -6.561 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -3.982 8.204 -7.792 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -3.421 9.468 -6.673 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -6.008 11.135 -6.792 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -4.377 11.834 -6.913 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -5.575 12.143 -8.192 1.00 0.00 H new ATOM 660 N MET A 45 -2.128 10.264 -11.782 1.00 0.00 N ATOM 661 CA MET A 45 -0.941 10.359 -12.624 1.00 0.00 C ATOM 662 C MET A 45 -1.152 11.367 -13.749 1.00 0.00 C ATOM 663 O MET A 45 -0.244 12.123 -14.098 1.00 0.00 O ATOM 664 CB MET A 45 -0.594 8.989 -13.210 1.00 0.00 C ATOM 665 CG MET A 45 -0.195 7.963 -12.161 1.00 0.00 C ATOM 666 SD MET A 45 0.714 6.572 -12.861 1.00 0.00 S ATOM 667 CE MET A 45 2.192 6.590 -11.850 1.00 0.00 C ATOM 0 H MET A 45 -2.375 9.313 -11.507 1.00 0.00 H new ATOM 0 HA MET A 45 -0.113 10.701 -12.004 1.00 0.00 H new ATOM 0 HB2 MET A 45 -1.453 8.613 -13.766 1.00 0.00 H new ATOM 0 HB3 MET A 45 0.222 9.104 -13.923 1.00 0.00 H new ATOM 0 HG2 MET A 45 0.418 8.446 -11.400 1.00 0.00 H new ATOM 0 HG3 MET A 45 -1.090 7.593 -11.662 1.00 0.00 H new ATOM 0 HE1 MET A 45 2.967 5.990 -12.328 1.00 0.00 H new ATOM 0 HE2 MET A 45 2.544 7.616 -11.738 1.00 0.00 H new ATOM 0 HE3 MET A 45 1.966 6.175 -10.868 1.00 0.00 H new ATOM 677 N THR A 46 -2.355 11.373 -14.315 1.00 0.00 N ATOM 678 CA THR A 46 -2.684 12.287 -15.401 1.00 0.00 C ATOM 679 C THR A 46 -2.602 13.739 -14.942 1.00 0.00 C ATOM 680 O THR A 46 -1.928 14.559 -15.564 1.00 0.00 O ATOM 681 CB THR A 46 -4.094 12.015 -15.957 1.00 0.00 C ATOM 682 OG1 THR A 46 -5.029 11.885 -14.880 1.00 0.00 O ATOM 683 CG2 THR A 46 -4.107 10.749 -16.802 1.00 0.00 C ATOM 0 H THR A 46 -3.118 10.755 -14.039 1.00 0.00 H new ATOM 0 HA THR A 46 -1.952 12.116 -16.190 1.00 0.00 H new ATOM 0 HB THR A 46 -4.381 12.857 -16.587 1.00 0.00 H new ATOM 0 HG1 THR A 46 -4.957 10.988 -14.491 1.00 0.00 H new ATOM 0 HG21 THR A 46 -5.113 10.577 -17.184 1.00 0.00 H new ATOM 0 HG22 THR A 46 -3.416 10.862 -17.637 1.00 0.00 H new ATOM 0 HG23 THR A 46 -3.801 9.900 -16.190 1.00 0.00 H new ATOM 691 N SER A 47 -3.293 14.048 -13.850 1.00 0.00 N ATOM 692 CA SER A 47 -3.302 15.403 -13.309 1.00 0.00 C ATOM 693 C SER A 47 -1.900 15.825 -12.882 1.00 0.00 C ATOM 694 O SER A 47 -1.258 16.643 -13.540 1.00 0.00 O ATOM 695 CB SER A 47 -4.259 15.494 -12.120 1.00 0.00 C ATOM 696 OG SER A 47 -4.358 16.825 -11.645 1.00 0.00 O ATOM 0 H SER A 47 -3.854 13.379 -13.322 1.00 0.00 H new ATOM 0 HA SER A 47 -3.644 16.079 -14.093 1.00 0.00 H new ATOM 0 HB2 SER A 47 -5.245 15.136 -12.415 1.00 0.00 H new ATOM 0 HB3 SER A 47 -3.910 14.843 -11.318 1.00 0.00 H new ATOM 0 HG SER A 47 -4.977 16.856 -10.886 1.00 0.00 H new ATOM 702 N SER A 48 -1.431 15.261 -11.773 1.00 0.00 N ATOM 703 CA SER A 48 -0.106 15.582 -11.254 1.00 0.00 C ATOM 704 C SER A 48 0.970 14.776 -11.975 1.00 0.00 C ATOM 705 O SER A 48 0.696 13.713 -12.533 1.00 0.00 O ATOM 706 CB SER A 48 -0.044 15.306 -9.750 1.00 0.00 C ATOM 707 OG SER A 48 -0.687 16.333 -9.016 1.00 0.00 O ATOM 0 H SER A 48 -1.948 14.580 -11.217 1.00 0.00 H new ATOM 0 HA SER A 48 0.079 16.642 -11.430 1.00 0.00 H new ATOM 0 HB2 SER A 48 -0.518 14.349 -9.533 1.00 0.00 H new ATOM 0 HB3 SER A 48 0.996 15.226 -9.434 1.00 0.00 H new ATOM 0 HG SER A 48 -0.635 16.132 -8.058 1.00 0.00 H new ATOM 713 N SER A 49 2.195 15.290 -11.959 1.00 0.00 N ATOM 714 CA SER A 49 3.313 14.621 -12.615 1.00 0.00 C ATOM 715 C SER A 49 4.219 13.945 -11.590 1.00 0.00 C ATOM 716 O SER A 49 4.022 14.085 -10.382 1.00 0.00 O ATOM 717 CB SER A 49 4.120 15.624 -13.442 1.00 0.00 C ATOM 718 OG SER A 49 4.767 14.984 -14.529 1.00 0.00 O ATOM 0 H SER A 49 2.439 16.167 -11.499 1.00 0.00 H new ATOM 0 HA SER A 49 2.909 13.856 -13.277 1.00 0.00 H new ATOM 0 HB2 SER A 49 3.460 16.406 -13.817 1.00 0.00 H new ATOM 0 HB3 SER A 49 4.862 16.110 -12.808 1.00 0.00 H new ATOM 0 HG SER A 49 5.275 15.646 -15.043 1.00 0.00 H new ATOM 724 N LYS A 50 5.212 13.211 -12.080 1.00 0.00 N ATOM 725 CA LYS A 50 6.150 12.513 -11.209 1.00 0.00 C ATOM 726 C LYS A 50 6.913 13.499 -10.330 1.00 0.00 C ATOM 727 O LYS A 50 7.455 13.125 -9.291 1.00 0.00 O ATOM 728 CB LYS A 50 7.134 11.688 -12.042 1.00 0.00 C ATOM 729 CG LYS A 50 8.328 11.184 -11.250 1.00 0.00 C ATOM 730 CD LYS A 50 8.869 9.885 -11.824 1.00 0.00 C ATOM 731 CE LYS A 50 9.555 9.047 -10.756 1.00 0.00 C ATOM 732 NZ LYS A 50 10.828 9.669 -10.296 1.00 0.00 N ATOM 0 H LYS A 50 5.388 13.084 -13.077 1.00 0.00 H new ATOM 0 HA LYS A 50 5.580 11.844 -10.564 1.00 0.00 H new ATOM 0 HB2 LYS A 50 6.608 10.836 -12.472 1.00 0.00 H new ATOM 0 HB3 LYS A 50 7.491 12.295 -12.874 1.00 0.00 H new ATOM 0 HG2 LYS A 50 9.114 11.940 -11.254 1.00 0.00 H new ATOM 0 HG3 LYS A 50 8.038 11.031 -10.211 1.00 0.00 H new ATOM 0 HD2 LYS A 50 8.053 9.314 -12.268 1.00 0.00 H new ATOM 0 HD3 LYS A 50 9.575 10.106 -12.624 1.00 0.00 H new ATOM 0 HE2 LYS A 50 8.884 8.922 -9.906 1.00 0.00 H new ATOM 0 HE3 LYS A 50 9.759 8.052 -11.151 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 11.265 9.068 -9.569 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 11.478 9.766 -11.102 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 10.631 10.608 -9.896 1.00 0.00 H new ATOM 746 N GLU A 51 6.949 14.758 -10.754 1.00 0.00 N ATOM 747 CA GLU A 51 7.645 15.796 -10.004 1.00 0.00 C ATOM 748 C GLU A 51 6.684 16.534 -9.076 1.00 0.00 C ATOM 749 O GLU A 51 7.102 17.158 -8.100 1.00 0.00 O ATOM 750 CB GLU A 51 8.311 16.788 -10.960 1.00 0.00 C ATOM 751 CG GLU A 51 7.324 17.572 -11.808 1.00 0.00 C ATOM 752 CD GLU A 51 7.997 18.632 -12.657 1.00 0.00 C ATOM 753 OE1 GLU A 51 8.522 19.609 -12.081 1.00 0.00 O ATOM 754 OE2 GLU A 51 8.000 18.486 -13.897 1.00 0.00 O ATOM 0 H GLU A 51 6.505 15.084 -11.612 1.00 0.00 H new ATOM 0 HA GLU A 51 8.413 15.316 -9.397 1.00 0.00 H new ATOM 0 HB2 GLU A 51 8.916 17.487 -10.382 1.00 0.00 H new ATOM 0 HB3 GLU A 51 8.991 16.246 -11.617 1.00 0.00 H new ATOM 0 HG2 GLU A 51 6.781 16.884 -12.456 1.00 0.00 H new ATOM 0 HG3 GLU A 51 6.588 18.046 -11.158 1.00 0.00 H new ATOM 761 N ASP A 52 5.395 16.459 -9.388 1.00 0.00 N ATOM 762 CA ASP A 52 4.374 17.119 -8.583 1.00 0.00 C ATOM 763 C ASP A 52 4.124 16.353 -7.288 1.00 0.00 C ATOM 764 O ASP A 52 3.641 16.916 -6.306 1.00 0.00 O ATOM 765 CB ASP A 52 3.072 17.245 -9.376 1.00 0.00 C ATOM 766 CG ASP A 52 1.986 17.961 -8.596 1.00 0.00 C ATOM 767 OD1 ASP A 52 1.562 17.432 -7.547 1.00 0.00 O ATOM 768 OD2 ASP A 52 1.562 19.050 -9.035 1.00 0.00 O ATOM 0 H ASP A 52 5.032 15.948 -10.193 1.00 0.00 H new ATOM 0 HA ASP A 52 4.734 18.116 -8.330 1.00 0.00 H new ATOM 0 HB2 ASP A 52 3.265 17.785 -10.303 1.00 0.00 H new ATOM 0 HB3 ASP A 52 2.721 16.251 -9.653 1.00 0.00 H new ATOM 773 N TRP A 53 4.454 15.066 -7.295 1.00 0.00 N ATOM 774 CA TRP A 53 4.263 14.223 -6.121 1.00 0.00 C ATOM 775 C TRP A 53 5.350 14.481 -5.083 1.00 0.00 C ATOM 776 O TRP A 53 6.525 14.181 -5.291 1.00 0.00 O ATOM 777 CB TRP A 53 4.266 12.747 -6.522 1.00 0.00 C ATOM 778 CG TRP A 53 3.525 12.477 -7.797 1.00 0.00 C ATOM 779 CD1 TRP A 53 2.440 13.155 -8.274 1.00 0.00 C ATOM 780 CD2 TRP A 53 3.814 11.454 -8.756 1.00 0.00 C ATOM 781 NE1 TRP A 53 2.038 12.616 -9.472 1.00 0.00 N ATOM 782 CE2 TRP A 53 2.865 11.571 -9.789 1.00 0.00 C ATOM 783 CE3 TRP A 53 4.784 10.451 -8.843 1.00 0.00 C ATOM 784 CZ2 TRP A 53 2.858 10.723 -10.894 1.00 0.00 C ATOM 785 CZ3 TRP A 53 4.776 9.610 -9.939 1.00 0.00 C ATOM 786 CH2 TRP A 53 3.819 9.750 -10.953 1.00 0.00 C ATOM 0 H TRP A 53 4.855 14.584 -8.100 1.00 0.00 H new ATOM 0 HA TRP A 53 3.298 14.471 -5.680 1.00 0.00 H new ATOM 0 HB2 TRP A 53 5.297 12.409 -6.631 1.00 0.00 H new ATOM 0 HB3 TRP A 53 3.821 12.159 -5.720 1.00 0.00 H new ATOM 0 HD1 TRP A 53 1.967 13.992 -7.782 1.00 0.00 H new ATOM 0 HE1 TRP A 53 1.251 12.941 -10.034 1.00 0.00 H new ATOM 0 HE3 TRP A 53 5.526 10.336 -8.067 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 2.121 10.829 -11.676 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 5.520 8.831 -10.016 1.00 0.00 H new ATOM 0 HH2 TRP A 53 3.840 9.077 -11.797 1.00 0.00 H new ATOM 797 N PRO A 54 4.951 15.052 -3.936 1.00 0.00 N ATOM 798 CA PRO A 54 5.876 15.363 -2.843 1.00 0.00 C ATOM 799 C PRO A 54 6.398 14.109 -2.150 1.00 0.00 C ATOM 800 O PRO A 54 5.674 13.124 -2.002 1.00 0.00 O ATOM 801 CB PRO A 54 5.021 16.189 -1.879 1.00 0.00 C ATOM 802 CG PRO A 54 3.620 15.761 -2.152 1.00 0.00 C ATOM 803 CD PRO A 54 3.565 15.438 -3.619 1.00 0.00 C ATOM 0 HA PRO A 54 6.766 15.883 -3.198 1.00 0.00 H new ATOM 0 HB2 PRO A 54 5.298 15.999 -0.842 1.00 0.00 H new ATOM 0 HB3 PRO A 54 5.149 17.257 -2.052 1.00 0.00 H new ATOM 0 HG2 PRO A 54 3.353 14.892 -1.551 1.00 0.00 H new ATOM 0 HG3 PRO A 54 2.914 16.552 -1.900 1.00 0.00 H new ATOM 0 HD2 PRO A 54 2.865 14.628 -3.826 1.00 0.00 H new ATOM 0 HD3 PRO A 54 3.242 16.297 -4.208 1.00 0.00 H new ATOM 811 N SER A 55 7.657 14.152 -1.728 1.00 0.00 N ATOM 812 CA SER A 55 8.277 13.017 -1.054 1.00 0.00 C ATOM 813 C SER A 55 7.786 12.906 0.386 1.00 0.00 C ATOM 814 O SER A 55 7.842 13.871 1.149 1.00 0.00 O ATOM 815 CB SER A 55 9.800 13.153 -1.077 1.00 0.00 C ATOM 816 OG SER A 55 10.278 13.317 -2.401 1.00 0.00 O ATOM 0 H SER A 55 8.268 14.961 -1.841 1.00 0.00 H new ATOM 0 HA SER A 55 7.993 12.110 -1.587 1.00 0.00 H new ATOM 0 HB2 SER A 55 10.101 14.007 -0.470 1.00 0.00 H new ATOM 0 HB3 SER A 55 10.254 12.268 -0.630 1.00 0.00 H new ATOM 0 HG SER A 55 11.254 13.403 -2.388 1.00 0.00 H new ATOM 822 N VAL A 56 7.304 11.722 0.751 1.00 0.00 N ATOM 823 CA VAL A 56 6.804 11.484 2.100 1.00 0.00 C ATOM 824 C VAL A 56 7.249 10.120 2.618 1.00 0.00 C ATOM 825 O VAL A 56 7.729 9.282 1.856 1.00 0.00 O ATOM 826 CB VAL A 56 5.267 11.563 2.151 1.00 0.00 C ATOM 827 CG1 VAL A 56 4.785 12.915 1.648 1.00 0.00 C ATOM 828 CG2 VAL A 56 4.648 10.433 1.342 1.00 0.00 C ATOM 0 H VAL A 56 7.249 10.913 0.132 1.00 0.00 H new ATOM 0 HA VAL A 56 7.222 12.265 2.735 1.00 0.00 H new ATOM 0 HB VAL A 56 4.949 11.453 3.188 1.00 0.00 H new ATOM 0 HG11 VAL A 56 3.697 12.952 1.691 1.00 0.00 H new ATOM 0 HG12 VAL A 56 5.200 13.705 2.273 1.00 0.00 H new ATOM 0 HG13 VAL A 56 5.112 13.058 0.618 1.00 0.00 H new ATOM 0 HG21 VAL A 56 3.561 10.505 1.389 1.00 0.00 H new ATOM 0 HG22 VAL A 56 4.972 10.509 0.304 1.00 0.00 H new ATOM 0 HG23 VAL A 56 4.967 9.475 1.752 1.00 0.00 H new ATOM 838 N ASN A 57 7.086 9.906 3.919 1.00 0.00 N ATOM 839 CA ASN A 57 7.471 8.643 4.540 1.00 0.00 C ATOM 840 C ASN A 57 6.242 7.800 4.866 1.00 0.00 C ATOM 841 O ASN A 57 5.401 8.196 5.672 1.00 0.00 O ATOM 842 CB ASN A 57 8.278 8.902 5.814 1.00 0.00 C ATOM 843 CG ASN A 57 9.303 10.005 5.634 1.00 0.00 C ATOM 844 OD1 ASN A 57 9.905 10.142 4.569 1.00 0.00 O ATOM 845 ND2 ASN A 57 9.506 10.799 6.679 1.00 0.00 N ATOM 0 H ASN A 57 6.690 10.590 4.564 1.00 0.00 H new ATOM 0 HA ASN A 57 8.090 8.092 3.831 1.00 0.00 H new ATOM 0 HB2 ASN A 57 7.599 9.169 6.623 1.00 0.00 H new ATOM 0 HB3 ASN A 57 8.784 7.984 6.113 1.00 0.00 H new ATOM 0 HD21 ASN A 57 10.183 11.559 6.618 1.00 0.00 H new ATOM 0 HD22 ASN A 57 8.984 10.649 7.543 1.00 0.00 H new ATOM 852 N MET A 58 6.145 6.635 4.233 1.00 0.00 N ATOM 853 CA MET A 58 5.020 5.736 4.457 1.00 0.00 C ATOM 854 C MET A 58 5.242 4.888 5.706 1.00 0.00 C ATOM 855 O MET A 58 5.960 3.890 5.671 1.00 0.00 O ATOM 856 CB MET A 58 4.814 4.829 3.242 1.00 0.00 C ATOM 857 CG MET A 58 3.770 3.746 3.461 1.00 0.00 C ATOM 858 SD MET A 58 3.360 2.859 1.946 1.00 0.00 S ATOM 859 CE MET A 58 2.691 4.187 0.947 1.00 0.00 C ATOM 0 H MET A 58 6.832 6.292 3.561 1.00 0.00 H new ATOM 0 HA MET A 58 4.127 6.343 4.604 1.00 0.00 H new ATOM 0 HB2 MET A 58 4.518 5.440 2.389 1.00 0.00 H new ATOM 0 HB3 MET A 58 5.763 4.360 2.984 1.00 0.00 H new ATOM 0 HG2 MET A 58 4.137 3.038 4.204 1.00 0.00 H new ATOM 0 HG3 MET A 58 2.865 4.196 3.870 1.00 0.00 H new ATOM 0 HE1 MET A 58 2.169 3.768 0.087 1.00 0.00 H new ATOM 0 HE2 MET A 58 1.994 4.775 1.544 1.00 0.00 H new ATOM 0 HE3 MET A 58 3.503 4.827 0.602 1.00 0.00 H new ATOM 869 N ASN A 59 4.620 5.294 6.809 1.00 0.00 N ATOM 870 CA ASN A 59 4.751 4.571 8.069 1.00 0.00 C ATOM 871 C ASN A 59 3.815 3.367 8.105 1.00 0.00 C ATOM 872 O ASN A 59 2.596 3.516 8.188 1.00 0.00 O ATOM 873 CB ASN A 59 4.449 5.501 9.247 1.00 0.00 C ATOM 874 CG ASN A 59 5.448 6.637 9.357 1.00 0.00 C ATOM 875 OD1 ASN A 59 6.332 6.620 10.214 1.00 0.00 O ATOM 876 ND2 ASN A 59 5.311 7.631 8.488 1.00 0.00 N ATOM 0 H ASN A 59 4.021 6.118 6.856 1.00 0.00 H new ATOM 0 HA ASN A 59 5.777 4.213 8.150 1.00 0.00 H new ATOM 0 HB2 ASN A 59 3.446 5.912 9.134 1.00 0.00 H new ATOM 0 HB3 ASN A 59 4.455 4.925 10.172 1.00 0.00 H new ATOM 0 HD21 ASN A 59 5.953 8.423 8.514 1.00 0.00 H new ATOM 0 HD22 ASN A 59 4.563 7.603 7.795 1.00 0.00 H new ATOM 883 N VAL A 60 4.395 2.172 8.043 1.00 0.00 N ATOM 884 CA VAL A 60 3.615 0.941 8.070 1.00 0.00 C ATOM 885 C VAL A 60 3.789 0.209 9.396 1.00 0.00 C ATOM 886 O VAL A 60 4.779 -0.492 9.604 1.00 0.00 O ATOM 887 CB VAL A 60 4.013 -0.002 6.919 1.00 0.00 C ATOM 888 CG1 VAL A 60 3.174 -1.270 6.953 1.00 0.00 C ATOM 889 CG2 VAL A 60 3.872 0.705 5.580 1.00 0.00 C ATOM 0 H VAL A 60 5.403 2.031 7.974 1.00 0.00 H new ATOM 0 HA VAL A 60 2.570 1.226 7.950 1.00 0.00 H new ATOM 0 HB VAL A 60 5.058 -0.284 7.047 1.00 0.00 H new ATOM 0 HG11 VAL A 60 3.469 -1.924 6.132 1.00 0.00 H new ATOM 0 HG12 VAL A 60 3.330 -1.784 7.901 1.00 0.00 H new ATOM 0 HG13 VAL A 60 2.120 -1.012 6.850 1.00 0.00 H new ATOM 0 HG21 VAL A 60 4.157 0.025 4.778 1.00 0.00 H new ATOM 0 HG22 VAL A 60 2.837 1.017 5.441 1.00 0.00 H new ATOM 0 HG23 VAL A 60 4.521 1.581 5.561 1.00 0.00 H new ATOM 899 N ALA A 61 2.821 0.377 10.291 1.00 0.00 N ATOM 900 CA ALA A 61 2.866 -0.270 11.596 1.00 0.00 C ATOM 901 C ALA A 61 2.294 -1.682 11.529 1.00 0.00 C ATOM 902 O ALA A 61 1.949 -2.172 10.454 1.00 0.00 O ATOM 903 CB ALA A 61 2.110 0.559 12.623 1.00 0.00 C ATOM 0 H ALA A 61 1.996 0.956 10.136 1.00 0.00 H new ATOM 0 HA ALA A 61 3.910 -0.343 11.901 1.00 0.00 H new ATOM 0 HB1 ALA A 61 2.152 0.063 13.593 1.00 0.00 H new ATOM 0 HB2 ALA A 61 2.565 1.546 12.700 1.00 0.00 H new ATOM 0 HB3 ALA A 61 1.070 0.662 12.313 1.00 0.00 H new ATOM 909 N ASP A 62 2.198 -2.332 12.684 1.00 0.00 N ATOM 910 CA ASP A 62 1.668 -3.688 12.756 1.00 0.00 C ATOM 911 C ASP A 62 0.384 -3.814 11.941 1.00 0.00 C ATOM 912 O ASP A 62 0.375 -4.421 10.870 1.00 0.00 O ATOM 913 CB ASP A 62 1.403 -4.078 14.211 1.00 0.00 C ATOM 914 CG ASP A 62 2.682 -4.313 14.990 1.00 0.00 C ATOM 915 OD1 ASP A 62 3.261 -5.412 14.863 1.00 0.00 O ATOM 916 OD2 ASP A 62 3.104 -3.397 15.728 1.00 0.00 O ATOM 0 H ASP A 62 2.480 -1.941 13.583 1.00 0.00 H new ATOM 0 HA ASP A 62 2.412 -4.365 12.336 1.00 0.00 H new ATOM 0 HB2 ASP A 62 0.825 -3.291 14.696 1.00 0.00 H new ATOM 0 HB3 ASP A 62 0.794 -4.982 14.237 1.00 0.00 H new ATOM 921 N ALA A 63 -0.697 -3.238 12.456 1.00 0.00 N ATOM 922 CA ALA A 63 -1.985 -3.285 11.776 1.00 0.00 C ATOM 923 C ALA A 63 -2.501 -1.881 11.480 1.00 0.00 C ATOM 924 O ALA A 63 -3.709 -1.638 11.480 1.00 0.00 O ATOM 925 CB ALA A 63 -2.996 -4.056 12.612 1.00 0.00 C ATOM 0 H ALA A 63 -0.706 -2.733 13.342 1.00 0.00 H new ATOM 0 HA ALA A 63 -1.847 -3.801 10.826 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -3.953 -4.083 12.092 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -2.639 -5.074 12.767 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -3.121 -3.564 13.577 1.00 0.00 H new ATOM 931 N THR A 64 -1.579 -0.957 11.229 1.00 0.00 N ATOM 932 CA THR A 64 -1.941 0.424 10.934 1.00 0.00 C ATOM 933 C THR A 64 -0.904 1.083 10.032 1.00 0.00 C ATOM 934 O THR A 64 0.291 1.072 10.330 1.00 0.00 O ATOM 935 CB THR A 64 -2.086 1.254 12.223 1.00 0.00 C ATOM 936 OG1 THR A 64 -2.797 0.503 13.212 1.00 0.00 O ATOM 937 CG2 THR A 64 -2.818 2.559 11.946 1.00 0.00 C ATOM 0 H THR A 64 -0.576 -1.140 11.224 1.00 0.00 H new ATOM 0 HA THR A 64 -2.901 0.396 10.419 1.00 0.00 H new ATOM 0 HB THR A 64 -1.088 1.487 12.593 1.00 0.00 H new ATOM 0 HG1 THR A 64 -2.883 1.037 14.029 1.00 0.00 H new ATOM 0 HG21 THR A 64 -2.909 3.129 12.871 1.00 0.00 H new ATOM 0 HG22 THR A 64 -2.259 3.142 11.214 1.00 0.00 H new ATOM 0 HG23 THR A 64 -3.812 2.343 11.554 1.00 0.00 H new ATOM 945 N VAL A 65 -1.367 1.659 8.927 1.00 0.00 N ATOM 946 CA VAL A 65 -0.479 2.325 7.982 1.00 0.00 C ATOM 947 C VAL A 65 -0.748 3.825 7.939 1.00 0.00 C ATOM 948 O VAL A 65 -1.767 4.270 7.409 1.00 0.00 O ATOM 949 CB VAL A 65 -0.634 1.747 6.563 1.00 0.00 C ATOM 950 CG1 VAL A 65 0.149 2.579 5.558 1.00 0.00 C ATOM 951 CG2 VAL A 65 -0.184 0.294 6.528 1.00 0.00 C ATOM 0 H VAL A 65 -2.352 1.678 8.664 1.00 0.00 H new ATOM 0 HA VAL A 65 0.540 2.151 8.328 1.00 0.00 H new ATOM 0 HB VAL A 65 -1.688 1.785 6.288 1.00 0.00 H new ATOM 0 HG11 VAL A 65 0.027 2.155 4.561 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -0.224 3.603 5.565 1.00 0.00 H new ATOM 0 HG13 VAL A 65 1.205 2.576 5.827 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -0.300 -0.099 5.518 1.00 0.00 H new ATOM 0 HG22 VAL A 65 0.863 0.230 6.824 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -0.792 -0.292 7.217 1.00 0.00 H new ATOM 961 N THR A 66 0.172 4.602 8.501 1.00 0.00 N ATOM 962 CA THR A 66 0.035 6.053 8.528 1.00 0.00 C ATOM 963 C THR A 66 1.040 6.718 7.594 1.00 0.00 C ATOM 964 O THR A 66 2.141 6.208 7.386 1.00 0.00 O ATOM 965 CB THR A 66 0.227 6.609 9.951 1.00 0.00 C ATOM 966 OG1 THR A 66 -0.522 5.827 10.888 1.00 0.00 O ATOM 967 CG2 THR A 66 -0.214 8.063 10.029 1.00 0.00 C ATOM 0 H THR A 66 1.021 4.251 8.944 1.00 0.00 H new ATOM 0 HA THR A 66 -0.976 6.281 8.191 1.00 0.00 H new ATOM 0 HB THR A 66 1.287 6.554 10.198 1.00 0.00 H new ATOM 0 HG1 THR A 66 -0.393 6.186 11.791 1.00 0.00 H new ATOM 0 HG21 THR A 66 -0.069 8.433 11.044 1.00 0.00 H new ATOM 0 HG22 THR A 66 0.379 8.661 9.336 1.00 0.00 H new ATOM 0 HG23 THR A 66 -1.268 8.138 9.763 1.00 0.00 H new ATOM 975 N VAL A 67 0.655 7.861 7.035 1.00 0.00 N ATOM 976 CA VAL A 67 1.523 8.597 6.124 1.00 0.00 C ATOM 977 C VAL A 67 1.992 9.906 6.750 1.00 0.00 C ATOM 978 O VAL A 67 1.180 10.739 7.153 1.00 0.00 O ATOM 979 CB VAL A 67 0.811 8.903 4.793 1.00 0.00 C ATOM 980 CG1 VAL A 67 1.532 10.014 4.045 1.00 0.00 C ATOM 981 CG2 VAL A 67 0.716 7.648 3.939 1.00 0.00 C ATOM 0 H VAL A 67 -0.253 8.297 7.197 1.00 0.00 H new ATOM 0 HA VAL A 67 2.386 7.961 5.927 1.00 0.00 H new ATOM 0 HB VAL A 67 -0.201 9.243 5.012 1.00 0.00 H new ATOM 0 HG11 VAL A 67 1.015 10.216 3.107 1.00 0.00 H new ATOM 0 HG12 VAL A 67 1.542 10.917 4.656 1.00 0.00 H new ATOM 0 HG13 VAL A 67 2.556 9.706 3.835 1.00 0.00 H new ATOM 0 HG21 VAL A 67 0.210 7.883 3.002 1.00 0.00 H new ATOM 0 HG22 VAL A 67 1.718 7.276 3.727 1.00 0.00 H new ATOM 0 HG23 VAL A 67 0.151 6.885 4.475 1.00 0.00 H new ATOM 991 N ILE A 68 3.307 10.080 6.828 1.00 0.00 N ATOM 992 CA ILE A 68 3.884 11.289 7.403 1.00 0.00 C ATOM 993 C ILE A 68 4.795 11.993 6.404 1.00 0.00 C ATOM 994 O ILE A 68 5.415 11.352 5.554 1.00 0.00 O ATOM 995 CB ILE A 68 4.686 10.977 8.680 1.00 0.00 C ATOM 996 CG1 ILE A 68 3.814 10.221 9.685 1.00 0.00 C ATOM 997 CG2 ILE A 68 5.223 12.260 9.296 1.00 0.00 C ATOM 998 CD1 ILE A 68 4.605 9.532 10.774 1.00 0.00 C ATOM 0 H ILE A 68 3.993 9.400 6.500 1.00 0.00 H new ATOM 0 HA ILE A 68 3.052 11.946 7.657 1.00 0.00 H new ATOM 0 HB ILE A 68 5.532 10.344 8.413 1.00 0.00 H new ATOM 0 HG12 ILE A 68 3.113 10.919 10.143 1.00 0.00 H new ATOM 0 HG13 ILE A 68 3.221 9.478 9.152 1.00 0.00 H new ATOM 0 HG21 ILE A 68 5.787 12.022 10.198 1.00 0.00 H new ATOM 0 HG22 ILE A 68 5.875 12.762 8.581 1.00 0.00 H new ATOM 0 HG23 ILE A 68 4.391 12.917 9.551 1.00 0.00 H new ATOM 0 HD11 ILE A 68 3.922 9.017 11.449 1.00 0.00 H new ATOM 0 HD12 ILE A 68 5.287 8.809 10.326 1.00 0.00 H new ATOM 0 HD13 ILE A 68 5.177 10.273 11.332 1.00 0.00 H new ATOM 1010 N SER A 69 4.874 13.315 6.512 1.00 0.00 N ATOM 1011 CA SER A 69 5.708 14.107 5.616 1.00 0.00 C ATOM 1012 C SER A 69 7.179 13.732 5.769 1.00 0.00 C ATOM 1013 O SER A 69 7.569 13.098 6.749 1.00 0.00 O ATOM 1014 CB SER A 69 5.519 15.600 5.895 1.00 0.00 C ATOM 1015 OG SER A 69 5.927 16.382 4.786 1.00 0.00 O ATOM 0 H SER A 69 4.370 13.861 7.211 1.00 0.00 H new ATOM 0 HA SER A 69 5.401 13.894 4.592 1.00 0.00 H new ATOM 0 HB2 SER A 69 4.472 15.801 6.120 1.00 0.00 H new ATOM 0 HB3 SER A 69 6.095 15.884 6.776 1.00 0.00 H new ATOM 0 HG SER A 69 5.795 17.332 4.989 1.00 0.00 H new ATOM 1021 N GLU A 70 7.989 14.128 4.792 1.00 0.00 N ATOM 1022 CA GLU A 70 9.417 13.832 4.818 1.00 0.00 C ATOM 1023 C GLU A 70 10.095 14.527 5.994 1.00 0.00 C ATOM 1024 O GLU A 70 10.879 13.918 6.723 1.00 0.00 O ATOM 1025 CB GLU A 70 10.074 14.267 3.506 1.00 0.00 C ATOM 1026 CG GLU A 70 11.584 14.098 3.497 1.00 0.00 C ATOM 1027 CD GLU A 70 12.275 15.086 2.577 1.00 0.00 C ATOM 1028 OE1 GLU A 70 12.353 14.810 1.362 1.00 0.00 O ATOM 1029 OE2 GLU A 70 12.739 16.134 3.073 1.00 0.00 O ATOM 0 H GLU A 70 7.681 14.654 3.974 1.00 0.00 H new ATOM 0 HA GLU A 70 9.537 12.755 4.937 1.00 0.00 H new ATOM 0 HB2 GLU A 70 9.647 13.689 2.686 1.00 0.00 H new ATOM 0 HB3 GLU A 70 9.833 15.313 3.318 1.00 0.00 H new ATOM 0 HG2 GLU A 70 11.966 14.222 4.510 1.00 0.00 H new ATOM 0 HG3 GLU A 70 11.831 13.083 3.185 1.00 0.00 H new ATOM 1036 N LYS A 71 9.790 15.808 6.174 1.00 0.00 N ATOM 1037 CA LYS A 71 10.368 16.588 7.261 1.00 0.00 C ATOM 1038 C LYS A 71 9.505 16.497 8.515 1.00 0.00 C ATOM 1039 O LYS A 71 9.925 15.943 9.530 1.00 0.00 O ATOM 1040 CB LYS A 71 10.522 18.051 6.840 1.00 0.00 C ATOM 1041 CG LYS A 71 11.679 18.292 5.886 1.00 0.00 C ATOM 1042 CD LYS A 71 12.985 18.500 6.635 1.00 0.00 C ATOM 1043 CE LYS A 71 14.142 18.748 5.680 1.00 0.00 C ATOM 1044 NZ LYS A 71 14.138 20.141 5.153 1.00 0.00 N ATOM 0 H LYS A 71 9.145 16.328 5.580 1.00 0.00 H new ATOM 0 HA LYS A 71 11.351 16.176 7.488 1.00 0.00 H new ATOM 0 HB2 LYS A 71 9.598 18.383 6.368 1.00 0.00 H new ATOM 0 HB3 LYS A 71 10.663 18.663 7.731 1.00 0.00 H new ATOM 0 HG2 LYS A 71 11.777 17.443 5.210 1.00 0.00 H new ATOM 0 HG3 LYS A 71 11.468 19.167 5.270 1.00 0.00 H new ATOM 0 HD2 LYS A 71 12.885 19.346 7.315 1.00 0.00 H new ATOM 0 HD3 LYS A 71 13.198 17.623 7.247 1.00 0.00 H new ATOM 0 HE2 LYS A 71 15.084 18.557 6.194 1.00 0.00 H new ATOM 0 HE3 LYS A 71 14.084 18.045 4.849 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 14.942 20.270 4.506 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 13.250 20.316 4.641 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 14.219 20.812 5.944 1.00 0.00 H new ATOM 1058 N ASN A 72 8.295 17.042 8.437 1.00 0.00 N ATOM 1059 CA ASN A 72 7.373 17.021 9.566 1.00 0.00 C ATOM 1060 C ASN A 72 7.073 15.588 9.997 1.00 0.00 C ATOM 1061 O ASN A 72 6.786 14.728 9.166 1.00 0.00 O ATOM 1062 CB ASN A 72 6.071 17.739 9.202 1.00 0.00 C ATOM 1063 CG ASN A 72 6.293 19.198 8.856 1.00 0.00 C ATOM 1064 OD1 ASN A 72 7.181 19.534 8.072 1.00 0.00 O ATOM 1065 ND2 ASN A 72 5.485 20.074 9.441 1.00 0.00 N ATOM 0 H ASN A 72 7.931 17.503 7.604 1.00 0.00 H new ATOM 0 HA ASN A 72 7.846 17.541 10.399 1.00 0.00 H new ATOM 0 HB2 ASN A 72 5.605 17.234 8.355 1.00 0.00 H new ATOM 0 HB3 ASN A 72 5.375 17.668 10.037 1.00 0.00 H new ATOM 0 HD21 ASN A 72 5.587 21.070 9.247 1.00 0.00 H new ATOM 0 HD22 ASN A 72 4.762 19.751 10.084 1.00 0.00 H new ATOM 1072 N GLU A 73 7.142 15.342 11.302 1.00 0.00 N ATOM 1073 CA GLU A 73 6.878 14.014 11.842 1.00 0.00 C ATOM 1074 C GLU A 73 5.405 13.858 12.208 1.00 0.00 C ATOM 1075 O GLU A 73 4.796 12.822 11.941 1.00 0.00 O ATOM 1076 CB GLU A 73 7.750 13.757 13.073 1.00 0.00 C ATOM 1077 CG GLU A 73 7.390 14.626 14.266 1.00 0.00 C ATOM 1078 CD GLU A 73 8.531 14.762 15.255 1.00 0.00 C ATOM 1079 OE1 GLU A 73 9.699 14.789 14.813 1.00 0.00 O ATOM 1080 OE2 GLU A 73 8.257 14.841 16.471 1.00 0.00 O ATOM 0 H GLU A 73 7.378 16.044 12.003 1.00 0.00 H new ATOM 0 HA GLU A 73 7.123 13.282 11.072 1.00 0.00 H new ATOM 0 HB2 GLU A 73 7.662 12.709 13.358 1.00 0.00 H new ATOM 0 HB3 GLU A 73 8.794 13.929 12.811 1.00 0.00 H new ATOM 0 HG2 GLU A 73 7.099 15.616 13.915 1.00 0.00 H new ATOM 0 HG3 GLU A 73 6.524 14.200 14.773 1.00 0.00 H new ATOM 1087 N GLU A 74 4.840 14.894 12.820 1.00 0.00 N ATOM 1088 CA GLU A 74 3.439 14.871 13.223 1.00 0.00 C ATOM 1089 C GLU A 74 2.522 15.037 12.014 1.00 0.00 C ATOM 1090 O GLU A 74 1.401 14.530 12.000 1.00 0.00 O ATOM 1091 CB GLU A 74 3.161 15.977 14.243 1.00 0.00 C ATOM 1092 CG GLU A 74 3.398 17.377 13.703 1.00 0.00 C ATOM 1093 CD GLU A 74 3.731 18.375 14.795 1.00 0.00 C ATOM 1094 OE1 GLU A 74 4.354 17.970 15.798 1.00 0.00 O ATOM 1095 OE2 GLU A 74 3.370 19.561 14.646 1.00 0.00 O ATOM 0 H GLU A 74 5.331 15.759 13.047 1.00 0.00 H new ATOM 0 HA GLU A 74 3.235 13.903 13.682 1.00 0.00 H new ATOM 0 HB2 GLU A 74 2.128 15.897 14.580 1.00 0.00 H new ATOM 0 HB3 GLU A 74 3.794 15.822 15.116 1.00 0.00 H new ATOM 0 HG2 GLU A 74 4.213 17.350 12.980 1.00 0.00 H new ATOM 0 HG3 GLU A 74 2.509 17.712 13.169 1.00 0.00 H new ATOM 1102 N GLU A 75 3.009 15.750 11.003 1.00 0.00 N ATOM 1103 CA GLU A 75 2.232 15.984 9.791 1.00 0.00 C ATOM 1104 C GLU A 75 1.696 14.671 9.227 1.00 0.00 C ATOM 1105 O GLU A 75 2.427 13.910 8.593 1.00 0.00 O ATOM 1106 CB GLU A 75 3.089 16.691 8.739 1.00 0.00 C ATOM 1107 CG GLU A 75 2.390 16.863 7.401 1.00 0.00 C ATOM 1108 CD GLU A 75 0.962 17.351 7.547 1.00 0.00 C ATOM 1109 OE1 GLU A 75 0.755 18.582 7.579 1.00 0.00 O ATOM 1110 OE2 GLU A 75 0.050 16.500 7.629 1.00 0.00 O ATOM 0 H GLU A 75 3.936 16.175 10.999 1.00 0.00 H new ATOM 0 HA GLU A 75 1.386 16.621 10.049 1.00 0.00 H new ATOM 0 HB2 GLU A 75 3.378 17.672 9.117 1.00 0.00 H new ATOM 0 HB3 GLU A 75 4.007 16.123 8.589 1.00 0.00 H new ATOM 0 HG2 GLU A 75 2.951 17.571 6.791 1.00 0.00 H new ATOM 0 HG3 GLU A 75 2.392 15.911 6.869 1.00 0.00 H new ATOM 1117 N VAL A 76 0.414 14.412 9.464 1.00 0.00 N ATOM 1118 CA VAL A 76 -0.222 13.192 8.980 1.00 0.00 C ATOM 1119 C VAL A 76 -1.137 13.482 7.796 1.00 0.00 C ATOM 1120 O VAL A 76 -2.211 14.065 7.955 1.00 0.00 O ATOM 1121 CB VAL A 76 -1.039 12.507 10.091 1.00 0.00 C ATOM 1122 CG1 VAL A 76 -1.982 13.501 10.751 1.00 0.00 C ATOM 1123 CG2 VAL A 76 -1.810 11.321 9.530 1.00 0.00 C ATOM 0 H VAL A 76 -0.205 15.031 9.988 1.00 0.00 H new ATOM 0 HA VAL A 76 0.577 12.523 8.662 1.00 0.00 H new ATOM 0 HB VAL A 76 -0.349 12.138 10.850 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -2.551 12.999 11.533 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -1.404 14.315 11.188 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -2.668 13.903 10.005 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -2.382 10.848 10.328 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -2.490 11.665 8.751 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -1.111 10.599 9.108 1.00 0.00 H new ATOM 1133 N LEU A 77 -0.706 13.072 6.608 1.00 0.00 N ATOM 1134 CA LEU A 77 -1.487 13.287 5.395 1.00 0.00 C ATOM 1135 C LEU A 77 -2.607 12.258 5.279 1.00 0.00 C ATOM 1136 O LEU A 77 -3.773 12.611 5.099 1.00 0.00 O ATOM 1137 CB LEU A 77 -0.583 13.215 4.163 1.00 0.00 C ATOM 1138 CG LEU A 77 0.791 13.871 4.300 1.00 0.00 C ATOM 1139 CD1 LEU A 77 1.725 13.389 3.200 1.00 0.00 C ATOM 1140 CD2 LEU A 77 0.663 15.387 4.266 1.00 0.00 C ATOM 0 H LEU A 77 0.180 12.589 6.459 1.00 0.00 H new ATOM 0 HA LEU A 77 -1.935 14.279 5.452 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -0.439 12.166 3.904 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -1.104 13.681 3.327 1.00 0.00 H new ATOM 0 HG LEU A 77 1.216 13.583 5.262 1.00 0.00 H new ATOM 0 HD11 LEU A 77 2.698 13.867 3.314 1.00 0.00 H new ATOM 0 HD12 LEU A 77 1.841 12.307 3.269 1.00 0.00 H new ATOM 0 HD13 LEU A 77 1.306 13.647 2.228 1.00 0.00 H new ATOM 0 HD21 LEU A 77 1.650 15.838 4.365 1.00 0.00 H new ATOM 0 HD22 LEU A 77 0.217 15.693 3.320 1.00 0.00 H new ATOM 0 HD23 LEU A 77 0.029 15.717 5.089 1.00 0.00 H new ATOM 1152 N VAL A 78 -2.246 10.983 5.386 1.00 0.00 N ATOM 1153 CA VAL A 78 -3.221 9.903 5.296 1.00 0.00 C ATOM 1154 C VAL A 78 -3.075 8.934 6.464 1.00 0.00 C ATOM 1155 O VAL A 78 -1.972 8.701 6.956 1.00 0.00 O ATOM 1156 CB VAL A 78 -3.075 9.124 3.975 1.00 0.00 C ATOM 1157 CG1 VAL A 78 -3.968 7.892 3.981 1.00 0.00 C ATOM 1158 CG2 VAL A 78 -3.398 10.021 2.790 1.00 0.00 C ATOM 0 H VAL A 78 -1.286 10.673 5.535 1.00 0.00 H new ATOM 0 HA VAL A 78 -4.209 10.363 5.330 1.00 0.00 H new ATOM 0 HB VAL A 78 -2.041 8.793 3.880 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -3.852 7.354 3.040 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -3.685 7.241 4.808 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -5.008 8.197 4.099 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -3.290 9.455 1.865 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -4.423 10.383 2.876 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -2.713 10.869 2.778 1.00 0.00 H new ATOM 1168 N GLU A 79 -4.197 8.370 6.902 1.00 0.00 N ATOM 1169 CA GLU A 79 -4.194 7.426 8.013 1.00 0.00 C ATOM 1170 C GLU A 79 -5.053 6.206 7.692 1.00 0.00 C ATOM 1171 O GLU A 79 -6.268 6.220 7.892 1.00 0.00 O ATOM 1172 CB GLU A 79 -4.704 8.102 9.287 1.00 0.00 C ATOM 1173 CG GLU A 79 -4.183 7.463 10.564 1.00 0.00 C ATOM 1174 CD GLU A 79 -4.500 8.286 11.798 1.00 0.00 C ATOM 1175 OE1 GLU A 79 -5.609 8.127 12.349 1.00 0.00 O ATOM 1176 OE2 GLU A 79 -3.637 9.088 12.213 1.00 0.00 O ATOM 0 H GLU A 79 -5.119 8.551 6.504 1.00 0.00 H new ATOM 0 HA GLU A 79 -3.168 7.095 8.172 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -4.414 9.153 9.272 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -5.794 8.072 9.293 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -4.618 6.469 10.673 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -3.104 7.332 10.486 1.00 0.00 H new ATOM 1183 N CYS A 80 -4.413 5.154 7.194 1.00 0.00 N ATOM 1184 CA CYS A 80 -5.118 3.926 6.844 1.00 0.00 C ATOM 1185 C CYS A 80 -4.815 2.819 7.850 1.00 0.00 C ATOM 1186 O CYS A 80 -3.713 2.746 8.393 1.00 0.00 O ATOM 1187 CB CYS A 80 -4.729 3.473 5.437 1.00 0.00 C ATOM 1188 SG CYS A 80 -5.536 1.946 4.903 1.00 0.00 S ATOM 0 H CYS A 80 -3.408 5.127 7.024 1.00 0.00 H new ATOM 0 HA CYS A 80 -6.188 4.131 6.868 1.00 0.00 H new ATOM 0 HB2 CYS A 80 -4.974 4.267 4.731 1.00 0.00 H new ATOM 0 HB3 CYS A 80 -3.649 3.333 5.398 1.00 0.00 H new ATOM 0 HG CYS A 80 -5.451 1.840 3.610 1.00 0.00 H new ATOM 1194 N ARG A 81 -5.801 1.962 8.094 1.00 0.00 N ATOM 1195 CA ARG A 81 -5.641 0.861 9.036 1.00 0.00 C ATOM 1196 C ARG A 81 -5.770 -0.484 8.328 1.00 0.00 C ATOM 1197 O ARG A 81 -6.771 -0.755 7.665 1.00 0.00 O ATOM 1198 CB ARG A 81 -6.680 0.963 10.154 1.00 0.00 C ATOM 1199 CG ARG A 81 -6.220 1.797 11.339 1.00 0.00 C ATOM 1200 CD ARG A 81 -7.272 1.832 12.437 1.00 0.00 C ATOM 1201 NE ARG A 81 -6.834 2.614 13.589 1.00 0.00 N ATOM 1202 CZ ARG A 81 -6.887 3.941 13.640 1.00 0.00 C ATOM 1203 NH1 ARG A 81 -7.357 4.629 12.609 1.00 0.00 N ATOM 1204 NH2 ARG A 81 -6.470 4.581 14.724 1.00 0.00 N ATOM 0 H ARG A 81 -6.719 2.009 7.652 1.00 0.00 H new ATOM 0 HA ARG A 81 -4.643 0.929 9.469 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -7.595 1.395 9.750 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -6.928 -0.040 10.501 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -5.292 1.386 11.736 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -6.004 2.813 11.008 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -8.195 2.255 12.041 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -7.499 0.814 12.755 1.00 0.00 H new ATOM 0 HE ARG A 81 -6.467 2.115 14.399 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -7.679 4.140 11.774 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -7.397 5.647 12.651 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -6.108 4.055 15.519 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -6.511 5.599 14.762 1.00 0.00 H new ATOM 1218 N VAL A 82 -4.749 -1.324 8.473 1.00 0.00 N ATOM 1219 CA VAL A 82 -4.749 -2.641 7.848 1.00 0.00 C ATOM 1220 C VAL A 82 -6.149 -3.243 7.833 1.00 0.00 C ATOM 1221 O VAL A 82 -6.647 -3.659 6.787 1.00 0.00 O ATOM 1222 CB VAL A 82 -3.794 -3.607 8.574 1.00 0.00 C ATOM 1223 CG1 VAL A 82 -3.973 -5.025 8.056 1.00 0.00 C ATOM 1224 CG2 VAL A 82 -2.352 -3.150 8.415 1.00 0.00 C ATOM 0 H VAL A 82 -3.912 -1.115 9.018 1.00 0.00 H new ATOM 0 HA VAL A 82 -4.405 -2.504 6.823 1.00 0.00 H new ATOM 0 HB VAL A 82 -4.038 -3.601 9.636 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -3.290 -5.693 8.581 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -5.000 -5.348 8.228 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -3.758 -5.052 6.988 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -1.691 -3.844 8.934 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -2.093 -3.125 7.357 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -2.237 -2.153 8.840 1.00 0.00 H new ATOM 1234 N ARG A 83 -6.780 -3.287 9.002 1.00 0.00 N ATOM 1235 CA ARG A 83 -8.124 -3.839 9.125 1.00 0.00 C ATOM 1236 C ARG A 83 -9.100 -3.102 8.212 1.00 0.00 C ATOM 1237 O ARG A 83 -9.932 -3.721 7.548 1.00 0.00 O ATOM 1238 CB ARG A 83 -8.603 -3.755 10.575 1.00 0.00 C ATOM 1239 CG ARG A 83 -7.764 -4.574 11.542 1.00 0.00 C ATOM 1240 CD ARG A 83 -8.160 -4.308 12.986 1.00 0.00 C ATOM 1241 NE ARG A 83 -7.889 -5.456 13.848 1.00 0.00 N ATOM 1242 CZ ARG A 83 -8.400 -5.597 15.066 1.00 0.00 C ATOM 1243 NH1 ARG A 83 -9.205 -4.668 15.563 1.00 0.00 N ATOM 1244 NH2 ARG A 83 -8.106 -6.670 15.790 1.00 0.00 N ATOM 0 H ARG A 83 -6.382 -2.947 9.877 1.00 0.00 H new ATOM 0 HA ARG A 83 -8.089 -4.885 8.822 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -8.593 -2.712 10.892 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -9.637 -4.094 10.627 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -7.883 -5.635 11.320 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -6.710 -4.335 11.403 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -7.616 -3.440 13.357 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -9.221 -4.063 13.032 1.00 0.00 H new ATOM 0 HE ARG A 83 -7.274 -6.189 13.495 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -9.434 -3.842 15.010 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -9.596 -4.779 16.499 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -7.487 -7.387 15.411 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -8.499 -6.778 16.725 1.00 0.00 H new ATOM 1258 N PHE A 84 -8.992 -1.778 8.184 1.00 0.00 N ATOM 1259 CA PHE A 84 -9.866 -0.957 7.355 1.00 0.00 C ATOM 1260 C PHE A 84 -9.557 -1.159 5.874 1.00 0.00 C ATOM 1261 O PHE A 84 -10.386 -0.871 5.010 1.00 0.00 O ATOM 1262 CB PHE A 84 -9.712 0.520 7.722 1.00 0.00 C ATOM 1263 CG PHE A 84 -10.426 0.900 8.988 1.00 0.00 C ATOM 1264 CD1 PHE A 84 -10.284 0.135 10.135 1.00 0.00 C ATOM 1265 CD2 PHE A 84 -11.238 2.021 9.032 1.00 0.00 C ATOM 1266 CE1 PHE A 84 -10.938 0.482 11.302 1.00 0.00 C ATOM 1267 CE2 PHE A 84 -11.895 2.373 10.196 1.00 0.00 C ATOM 1268 CZ PHE A 84 -11.746 1.602 11.332 1.00 0.00 C ATOM 0 H PHE A 84 -8.308 -1.251 8.726 1.00 0.00 H new ATOM 0 HA PHE A 84 -10.895 -1.265 7.539 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -8.652 0.751 7.828 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -10.091 1.131 6.903 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -9.655 -0.743 10.117 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -11.359 2.627 8.146 1.00 0.00 H new ATOM 0 HE1 PHE A 84 -10.818 -0.122 12.189 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -12.524 3.250 10.217 1.00 0.00 H new ATOM 0 HZ PHE A 84 -12.260 1.874 12.242 1.00 0.00 H new ATOM 1278 N LEU A 85 -8.358 -1.654 5.588 1.00 0.00 N ATOM 1279 CA LEU A 85 -7.937 -1.895 4.212 1.00 0.00 C ATOM 1280 C LEU A 85 -8.938 -2.788 3.485 1.00 0.00 C ATOM 1281 O LEU A 85 -9.053 -3.977 3.781 1.00 0.00 O ATOM 1282 CB LEU A 85 -6.550 -2.539 4.187 1.00 0.00 C ATOM 1283 CG LEU A 85 -5.751 -2.361 2.896 1.00 0.00 C ATOM 1284 CD1 LEU A 85 -4.265 -2.553 3.157 1.00 0.00 C ATOM 1285 CD2 LEU A 85 -6.237 -3.333 1.830 1.00 0.00 C ATOM 0 H LEU A 85 -7.660 -1.896 6.291 1.00 0.00 H new ATOM 0 HA LEU A 85 -7.894 -0.935 3.698 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -5.966 -2.129 5.011 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -6.663 -3.606 4.376 1.00 0.00 H new ATOM 0 HG LEU A 85 -5.907 -1.345 2.532 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -3.712 -2.423 2.227 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -3.926 -1.818 3.887 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -4.090 -3.557 3.545 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -5.657 -3.192 0.918 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -6.111 -4.356 2.186 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -7.291 -3.148 1.622 1.00 0.00 H new ATOM 1297 N SER A 86 -9.658 -2.206 2.532 1.00 0.00 N ATOM 1298 CA SER A 86 -10.650 -2.948 1.763 1.00 0.00 C ATOM 1299 C SER A 86 -9.975 -3.877 0.758 1.00 0.00 C ATOM 1300 O SER A 86 -10.148 -5.095 0.808 1.00 0.00 O ATOM 1301 CB SER A 86 -11.587 -1.984 1.033 1.00 0.00 C ATOM 1302 OG SER A 86 -11.007 -1.526 -0.176 1.00 0.00 O ATOM 0 H SER A 86 -9.573 -1.223 2.274 1.00 0.00 H new ATOM 0 HA SER A 86 -11.232 -3.553 2.458 1.00 0.00 H new ATOM 0 HB2 SER A 86 -12.533 -2.482 0.820 1.00 0.00 H new ATOM 0 HB3 SER A 86 -11.813 -1.134 1.677 1.00 0.00 H new ATOM 0 HG SER A 86 -10.257 -0.928 0.027 1.00 0.00 H new ATOM 1308 N PHE A 87 -9.205 -3.293 -0.154 1.00 0.00 N ATOM 1309 CA PHE A 87 -8.504 -4.066 -1.172 1.00 0.00 C ATOM 1310 C PHE A 87 -7.259 -3.328 -1.654 1.00 0.00 C ATOM 1311 O PHE A 87 -7.327 -2.163 -2.046 1.00 0.00 O ATOM 1312 CB PHE A 87 -9.432 -4.352 -2.354 1.00 0.00 C ATOM 1313 CG PHE A 87 -8.733 -4.982 -3.525 1.00 0.00 C ATOM 1314 CD1 PHE A 87 -8.289 -6.293 -3.460 1.00 0.00 C ATOM 1315 CD2 PHE A 87 -8.521 -4.264 -4.691 1.00 0.00 C ATOM 1316 CE1 PHE A 87 -7.647 -6.877 -4.536 1.00 0.00 C ATOM 1317 CE2 PHE A 87 -7.879 -4.842 -5.770 1.00 0.00 C ATOM 1318 CZ PHE A 87 -7.441 -6.150 -5.692 1.00 0.00 C ATOM 0 H PHE A 87 -9.051 -2.286 -0.209 1.00 0.00 H new ATOM 0 HA PHE A 87 -8.194 -5.011 -0.726 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -10.236 -5.010 -2.024 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -9.895 -3.419 -2.676 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -8.446 -6.865 -2.558 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -8.861 -3.241 -4.757 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -7.307 -7.900 -4.473 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -7.720 -4.272 -6.673 1.00 0.00 H new ATOM 0 HZ PHE A 87 -6.938 -6.603 -6.534 1.00 0.00 H new ATOM 1328 N MET A 88 -6.121 -4.015 -1.622 1.00 0.00 N ATOM 1329 CA MET A 88 -4.860 -3.425 -2.056 1.00 0.00 C ATOM 1330 C MET A 88 -4.375 -4.072 -3.350 1.00 0.00 C ATOM 1331 O MET A 88 -4.752 -5.198 -3.672 1.00 0.00 O ATOM 1332 CB MET A 88 -3.798 -3.578 -0.966 1.00 0.00 C ATOM 1333 CG MET A 88 -3.261 -4.994 -0.835 1.00 0.00 C ATOM 1334 SD MET A 88 -2.216 -5.209 0.618 1.00 0.00 S ATOM 1335 CE MET A 88 -3.281 -6.205 1.657 1.00 0.00 C ATOM 0 H MET A 88 -6.047 -4.980 -1.300 1.00 0.00 H new ATOM 0 HA MET A 88 -5.028 -2.364 -2.241 1.00 0.00 H new ATOM 0 HB2 MET A 88 -2.970 -2.902 -1.180 1.00 0.00 H new ATOM 0 HB3 MET A 88 -4.223 -3.269 -0.011 1.00 0.00 H new ATOM 0 HG2 MET A 88 -4.097 -5.692 -0.783 1.00 0.00 H new ATOM 0 HG3 MET A 88 -2.690 -5.246 -1.729 1.00 0.00 H new ATOM 0 HE1 MET A 88 -3.464 -5.683 2.596 1.00 0.00 H new ATOM 0 HE2 MET A 88 -4.229 -6.378 1.147 1.00 0.00 H new ATOM 0 HE3 MET A 88 -2.799 -7.161 1.861 1.00 0.00 H new ATOM 1345 N GLY A 89 -3.535 -3.352 -4.088 1.00 0.00 N ATOM 1346 CA GLY A 89 -3.012 -3.872 -5.337 1.00 0.00 C ATOM 1347 C GLY A 89 -1.939 -2.982 -5.932 1.00 0.00 C ATOM 1348 O GLY A 89 -1.694 -1.880 -5.442 1.00 0.00 O ATOM 0 H GLY A 89 -3.208 -2.418 -3.842 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -2.602 -4.868 -5.169 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -3.828 -3.980 -6.052 1.00 0.00 H new ATOM 1352 N VAL A 90 -1.296 -3.461 -6.992 1.00 0.00 N ATOM 1353 CA VAL A 90 -0.242 -2.702 -7.655 1.00 0.00 C ATOM 1354 C VAL A 90 -0.627 -2.366 -9.091 1.00 0.00 C ATOM 1355 O VAL A 90 -1.176 -3.201 -9.809 1.00 0.00 O ATOM 1356 CB VAL A 90 1.090 -3.476 -7.659 1.00 0.00 C ATOM 1357 CG1 VAL A 90 2.102 -2.792 -8.566 1.00 0.00 C ATOM 1358 CG2 VAL A 90 1.633 -3.607 -6.244 1.00 0.00 C ATOM 0 H VAL A 90 -1.487 -4.372 -7.410 1.00 0.00 H new ATOM 0 HA VAL A 90 -0.115 -1.778 -7.091 1.00 0.00 H new ATOM 0 HB VAL A 90 0.908 -4.478 -8.048 1.00 0.00 H new ATOM 0 HG11 VAL A 90 3.037 -3.353 -8.556 1.00 0.00 H new ATOM 0 HG12 VAL A 90 1.712 -2.754 -9.583 1.00 0.00 H new ATOM 0 HG13 VAL A 90 2.283 -1.778 -8.209 1.00 0.00 H new ATOM 0 HG21 VAL A 90 2.574 -4.156 -6.265 1.00 0.00 H new ATOM 0 HG22 VAL A 90 1.801 -2.615 -5.826 1.00 0.00 H new ATOM 0 HG23 VAL A 90 0.913 -4.144 -5.626 1.00 0.00 H new ATOM 1368 N GLY A 91 -0.334 -1.137 -9.505 1.00 0.00 N ATOM 1369 CA GLY A 91 -0.656 -0.713 -10.855 1.00 0.00 C ATOM 1370 C GLY A 91 0.148 -1.455 -11.904 1.00 0.00 C ATOM 1371 O GLY A 91 1.039 -2.239 -11.575 1.00 0.00 O ATOM 0 H GLY A 91 0.120 -0.428 -8.930 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -1.719 -0.871 -11.038 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -0.471 0.357 -10.950 1.00 0.00 H new ATOM 1375 N LYS A 92 -0.167 -1.211 -13.171 1.00 0.00 N ATOM 1376 CA LYS A 92 0.532 -1.862 -14.273 1.00 0.00 C ATOM 1377 C LYS A 92 2.043 -1.786 -14.080 1.00 0.00 C ATOM 1378 O LYS A 92 2.792 -2.579 -14.651 1.00 0.00 O ATOM 1379 CB LYS A 92 0.144 -1.213 -15.604 1.00 0.00 C ATOM 1380 CG LYS A 92 -1.232 -1.622 -16.102 1.00 0.00 C ATOM 1381 CD LYS A 92 -1.324 -1.540 -17.616 1.00 0.00 C ATOM 1382 CE LYS A 92 -2.764 -1.382 -18.079 1.00 0.00 C ATOM 1383 NZ LYS A 92 -2.922 -1.711 -19.523 1.00 0.00 N ATOM 0 H LYS A 92 -0.903 -0.567 -13.461 1.00 0.00 H new ATOM 0 HA LYS A 92 0.238 -2.911 -14.287 1.00 0.00 H new ATOM 0 HB2 LYS A 92 0.173 -0.129 -15.492 1.00 0.00 H new ATOM 0 HB3 LYS A 92 0.887 -1.476 -16.357 1.00 0.00 H new ATOM 0 HG2 LYS A 92 -1.450 -2.640 -15.778 1.00 0.00 H new ATOM 0 HG3 LYS A 92 -1.988 -0.977 -15.655 1.00 0.00 H new ATOM 0 HD2 LYS A 92 -0.732 -0.697 -17.972 1.00 0.00 H new ATOM 0 HD3 LYS A 92 -0.896 -2.440 -18.057 1.00 0.00 H new ATOM 0 HE2 LYS A 92 -3.409 -2.030 -17.486 1.00 0.00 H new ATOM 0 HE3 LYS A 92 -3.092 -0.358 -17.902 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 -3.917 -1.591 -19.800 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 -2.326 -1.076 -20.091 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 -2.633 -2.696 -19.688 1.00 0.00 H new ATOM 1397 N ASP A 93 2.484 -0.830 -13.270 1.00 0.00 N ATOM 1398 CA ASP A 93 3.906 -0.653 -12.999 1.00 0.00 C ATOM 1399 C ASP A 93 4.244 -1.073 -11.572 1.00 0.00 C ATOM 1400 O ASP A 93 3.521 -0.746 -10.630 1.00 0.00 O ATOM 1401 CB ASP A 93 4.313 0.804 -13.226 1.00 0.00 C ATOM 1402 CG ASP A 93 4.562 1.115 -14.688 1.00 0.00 C ATOM 1403 OD1 ASP A 93 3.579 1.191 -15.454 1.00 0.00 O ATOM 1404 OD2 ASP A 93 5.741 1.281 -15.067 1.00 0.00 O ATOM 0 H ASP A 93 1.877 -0.166 -12.790 1.00 0.00 H new ATOM 0 HA ASP A 93 4.464 -1.289 -13.687 1.00 0.00 H new ATOM 0 HB2 ASP A 93 3.530 1.460 -12.846 1.00 0.00 H new ATOM 0 HB3 ASP A 93 5.215 1.020 -12.653 1.00 0.00 H new ATOM 1409 N VAL A 94 5.346 -1.799 -11.419 1.00 0.00 N ATOM 1410 CA VAL A 94 5.780 -2.264 -10.107 1.00 0.00 C ATOM 1411 C VAL A 94 6.317 -1.111 -9.266 1.00 0.00 C ATOM 1412 O VAL A 94 6.537 -1.256 -8.063 1.00 0.00 O ATOM 1413 CB VAL A 94 6.868 -3.347 -10.227 1.00 0.00 C ATOM 1414 CG1 VAL A 94 6.413 -4.461 -11.158 1.00 0.00 C ATOM 1415 CG2 VAL A 94 8.176 -2.738 -10.710 1.00 0.00 C ATOM 0 H VAL A 94 5.955 -2.078 -12.188 1.00 0.00 H new ATOM 0 HA VAL A 94 4.905 -2.691 -9.617 1.00 0.00 H new ATOM 0 HB VAL A 94 7.037 -3.778 -9.240 1.00 0.00 H new ATOM 0 HG11 VAL A 94 7.195 -5.217 -11.230 1.00 0.00 H new ATOM 0 HG12 VAL A 94 5.504 -4.916 -10.764 1.00 0.00 H new ATOM 0 HG13 VAL A 94 6.214 -4.050 -12.147 1.00 0.00 H new ATOM 0 HG21 VAL A 94 8.933 -3.518 -10.789 1.00 0.00 H new ATOM 0 HG22 VAL A 94 8.025 -2.279 -11.687 1.00 0.00 H new ATOM 0 HG23 VAL A 94 8.508 -1.980 -10.001 1.00 0.00 H new ATOM 1425 N HIS A 95 6.525 0.035 -9.906 1.00 0.00 N ATOM 1426 CA HIS A 95 7.036 1.215 -9.217 1.00 0.00 C ATOM 1427 C HIS A 95 5.894 2.027 -8.613 1.00 0.00 C ATOM 1428 O HIS A 95 6.062 3.199 -8.275 1.00 0.00 O ATOM 1429 CB HIS A 95 7.843 2.085 -10.180 1.00 0.00 C ATOM 1430 CG HIS A 95 9.024 1.383 -10.775 1.00 0.00 C ATOM 1431 ND1 HIS A 95 8.912 0.250 -11.553 1.00 0.00 N ATOM 1432 CD2 HIS A 95 10.347 1.661 -10.706 1.00 0.00 C ATOM 1433 CE1 HIS A 95 10.116 -0.140 -11.934 1.00 0.00 C ATOM 1434 NE2 HIS A 95 11.004 0.699 -11.433 1.00 0.00 N ATOM 0 H HIS A 95 6.348 0.172 -10.901 1.00 0.00 H new ATOM 0 HA HIS A 95 7.688 0.881 -8.410 1.00 0.00 H new ATOM 0 HB2 HIS A 95 7.190 2.425 -10.984 1.00 0.00 H new ATOM 0 HB3 HIS A 95 8.187 2.974 -9.652 1.00 0.00 H new ATOM 0 HD2 HIS A 95 10.801 2.486 -10.177 1.00 0.00 H new ATOM 0 HE1 HIS A 95 10.336 -0.999 -12.550 1.00 0.00 H new ATOM 0 HE2 HIS A 95 12.014 0.642 -11.565 1.00 0.00 H new ATOM 1443 N THR A 96 4.731 1.396 -8.479 1.00 0.00 N ATOM 1444 CA THR A 96 3.561 2.061 -7.918 1.00 0.00 C ATOM 1445 C THR A 96 2.807 1.137 -6.969 1.00 0.00 C ATOM 1446 O THR A 96 2.777 -0.079 -7.163 1.00 0.00 O ATOM 1447 CB THR A 96 2.601 2.537 -9.025 1.00 0.00 C ATOM 1448 OG1 THR A 96 2.311 1.457 -9.920 1.00 0.00 O ATOM 1449 CG2 THR A 96 3.203 3.698 -9.801 1.00 0.00 C ATOM 0 H THR A 96 4.574 0.426 -8.751 1.00 0.00 H new ATOM 0 HA THR A 96 3.924 2.928 -7.365 1.00 0.00 H new ATOM 0 HB THR A 96 1.678 2.876 -8.554 1.00 0.00 H new ATOM 0 HG1 THR A 96 3.037 0.800 -9.886 1.00 0.00 H new ATOM 0 HG21 THR A 96 2.507 4.017 -10.577 1.00 0.00 H new ATOM 0 HG22 THR A 96 3.395 4.529 -9.122 1.00 0.00 H new ATOM 0 HG23 THR A 96 4.139 3.382 -10.261 1.00 0.00 H new ATOM 1457 N PHE A 97 2.198 1.720 -5.942 1.00 0.00 N ATOM 1458 CA PHE A 97 1.443 0.948 -4.962 1.00 0.00 C ATOM 1459 C PHE A 97 0.222 1.727 -4.481 1.00 0.00 C ATOM 1460 O PHE A 97 0.350 2.795 -3.884 1.00 0.00 O ATOM 1461 CB PHE A 97 2.333 0.586 -3.772 1.00 0.00 C ATOM 1462 CG PHE A 97 1.562 0.162 -2.554 1.00 0.00 C ATOM 1463 CD1 PHE A 97 0.779 -0.980 -2.577 1.00 0.00 C ATOM 1464 CD2 PHE A 97 1.622 0.906 -1.387 1.00 0.00 C ATOM 1465 CE1 PHE A 97 0.068 -1.372 -1.458 1.00 0.00 C ATOM 1466 CE2 PHE A 97 0.913 0.520 -0.265 1.00 0.00 C ATOM 1467 CZ PHE A 97 0.136 -0.622 -0.300 1.00 0.00 C ATOM 0 H PHE A 97 2.213 2.725 -5.767 1.00 0.00 H new ATOM 0 HA PHE A 97 1.101 0.031 -5.443 1.00 0.00 H new ATOM 0 HB2 PHE A 97 3.007 -0.219 -4.064 1.00 0.00 H new ATOM 0 HB3 PHE A 97 2.954 1.445 -3.518 1.00 0.00 H new ATOM 0 HD1 PHE A 97 0.723 -1.571 -3.479 1.00 0.00 H new ATOM 0 HD2 PHE A 97 2.230 1.798 -1.353 1.00 0.00 H new ATOM 0 HE1 PHE A 97 -0.540 -2.264 -1.489 1.00 0.00 H new ATOM 0 HE2 PHE A 97 0.966 1.110 0.638 1.00 0.00 H new ATOM 0 HZ PHE A 97 -0.417 -0.928 0.576 1.00 0.00 H new ATOM 1477 N ALA A 98 -0.961 1.183 -4.745 1.00 0.00 N ATOM 1478 CA ALA A 98 -2.205 1.824 -4.338 1.00 0.00 C ATOM 1479 C ALA A 98 -3.089 0.861 -3.554 1.00 0.00 C ATOM 1480 O ALA A 98 -3.202 -0.316 -3.899 1.00 0.00 O ATOM 1481 CB ALA A 98 -2.949 2.354 -5.555 1.00 0.00 C ATOM 0 H ALA A 98 -1.084 0.299 -5.239 1.00 0.00 H new ATOM 0 HA ALA A 98 -1.956 2.660 -3.685 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -3.876 2.830 -5.236 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -2.326 3.083 -6.073 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -3.178 1.529 -6.229 1.00 0.00 H new ATOM 1487 N PHE A 99 -3.714 1.366 -2.495 1.00 0.00 N ATOM 1488 CA PHE A 99 -4.586 0.549 -1.660 1.00 0.00 C ATOM 1489 C PHE A 99 -5.905 1.266 -1.387 1.00 0.00 C ATOM 1490 O PHE A 99 -5.936 2.484 -1.208 1.00 0.00 O ATOM 1491 CB PHE A 99 -3.893 0.211 -0.339 1.00 0.00 C ATOM 1492 CG PHE A 99 -3.710 1.399 0.563 1.00 0.00 C ATOM 1493 CD1 PHE A 99 -4.778 1.910 1.282 1.00 0.00 C ATOM 1494 CD2 PHE A 99 -2.470 2.004 0.691 1.00 0.00 C ATOM 1495 CE1 PHE A 99 -4.614 3.003 2.113 1.00 0.00 C ATOM 1496 CE2 PHE A 99 -2.299 3.096 1.520 1.00 0.00 C ATOM 1497 CZ PHE A 99 -3.373 3.597 2.231 1.00 0.00 C ATOM 0 H PHE A 99 -3.632 2.338 -2.195 1.00 0.00 H new ATOM 0 HA PHE A 99 -4.799 -0.375 -2.197 1.00 0.00 H new ATOM 0 HB2 PHE A 99 -4.476 -0.546 0.185 1.00 0.00 H new ATOM 0 HB3 PHE A 99 -2.918 -0.228 -0.551 1.00 0.00 H new ATOM 0 HD1 PHE A 99 -5.751 1.449 1.192 1.00 0.00 H new ATOM 0 HD2 PHE A 99 -1.628 1.618 0.136 1.00 0.00 H new ATOM 0 HE1 PHE A 99 -5.455 3.391 2.669 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -1.327 3.558 1.612 1.00 0.00 H new ATOM 0 HZ PHE A 99 -3.242 4.452 2.878 1.00 0.00 H new ATOM 1507 N ILE A 100 -6.992 0.502 -1.357 1.00 0.00 N ATOM 1508 CA ILE A 100 -8.313 1.064 -1.106 1.00 0.00 C ATOM 1509 C ILE A 100 -8.732 0.856 0.346 1.00 0.00 C ATOM 1510 O ILE A 100 -8.930 -0.274 0.789 1.00 0.00 O ATOM 1511 CB ILE A 100 -9.376 0.439 -2.029 1.00 0.00 C ATOM 1512 CG1 ILE A 100 -8.933 0.534 -3.490 1.00 0.00 C ATOM 1513 CG2 ILE A 100 -10.719 1.125 -1.831 1.00 0.00 C ATOM 1514 CD1 ILE A 100 -9.640 -0.445 -4.401 1.00 0.00 C ATOM 0 H ILE A 100 -6.984 -0.507 -1.503 1.00 0.00 H new ATOM 0 HA ILE A 100 -8.246 2.132 -1.314 1.00 0.00 H new ATOM 0 HB ILE A 100 -9.487 -0.614 -1.770 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -9.112 1.547 -3.850 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -7.858 0.360 -3.547 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -11.460 0.672 -2.490 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -11.037 1.010 -0.795 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -10.624 2.185 -2.066 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -9.276 -0.321 -5.421 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -9.441 -1.463 -4.066 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -10.713 -0.258 -4.373 1.00 0.00 H new ATOM 1526 N MET A 101 -8.866 1.956 1.080 1.00 0.00 N ATOM 1527 CA MET A 101 -9.264 1.894 2.482 1.00 0.00 C ATOM 1528 C MET A 101 -10.701 2.374 2.661 1.00 0.00 C ATOM 1529 O MET A 101 -11.288 2.958 1.749 1.00 0.00 O ATOM 1530 CB MET A 101 -8.321 2.740 3.340 1.00 0.00 C ATOM 1531 CG MET A 101 -8.708 4.208 3.402 1.00 0.00 C ATOM 1532 SD MET A 101 -9.825 4.575 4.768 1.00 0.00 S ATOM 1533 CE MET A 101 -8.810 5.677 5.749 1.00 0.00 C ATOM 0 H MET A 101 -8.705 2.900 0.728 1.00 0.00 H new ATOM 0 HA MET A 101 -9.204 0.855 2.805 1.00 0.00 H new ATOM 0 HB2 MET A 101 -8.302 2.335 4.352 1.00 0.00 H new ATOM 0 HB3 MET A 101 -7.309 2.656 2.944 1.00 0.00 H new ATOM 0 HG2 MET A 101 -7.807 4.813 3.502 1.00 0.00 H new ATOM 0 HG3 MET A 101 -9.182 4.495 2.463 1.00 0.00 H new ATOM 0 HE1 MET A 101 -9.148 5.657 6.785 1.00 0.00 H new ATOM 0 HE2 MET A 101 -7.770 5.354 5.700 1.00 0.00 H new ATOM 0 HE3 MET A 101 -8.894 6.692 5.360 1.00 0.00 H new ATOM 1543 N ASP A 102 -11.261 2.125 3.839 1.00 0.00 N ATOM 1544 CA ASP A 102 -12.629 2.532 4.137 1.00 0.00 C ATOM 1545 C ASP A 102 -12.646 3.726 5.087 1.00 0.00 C ATOM 1546 O ASP A 102 -12.204 3.628 6.232 1.00 0.00 O ATOM 1547 CB ASP A 102 -13.409 1.368 4.748 1.00 0.00 C ATOM 1548 CG ASP A 102 -13.277 1.310 6.257 1.00 0.00 C ATOM 1549 OD1 ASP A 102 -12.325 0.666 6.745 1.00 0.00 O ATOM 1550 OD2 ASP A 102 -14.126 1.909 6.950 1.00 0.00 O ATOM 0 H ASP A 102 -10.789 1.643 4.604 1.00 0.00 H new ATOM 0 HA ASP A 102 -13.105 2.827 3.202 1.00 0.00 H new ATOM 0 HB2 ASP A 102 -14.462 1.461 4.482 1.00 0.00 H new ATOM 0 HB3 ASP A 102 -13.053 0.431 4.319 1.00 0.00 H new ATOM 1555 N THR A 103 -13.157 4.854 4.603 1.00 0.00 N ATOM 1556 CA THR A 103 -13.230 6.067 5.408 1.00 0.00 C ATOM 1557 C THR A 103 -14.439 6.040 6.335 1.00 0.00 C ATOM 1558 O THR A 103 -14.334 6.363 7.518 1.00 0.00 O ATOM 1559 CB THR A 103 -13.304 7.325 4.522 1.00 0.00 C ATOM 1560 OG1 THR A 103 -14.368 7.194 3.573 1.00 0.00 O ATOM 1561 CG2 THR A 103 -11.990 7.549 3.789 1.00 0.00 C ATOM 0 H THR A 103 -13.526 4.953 3.657 1.00 0.00 H new ATOM 0 HA THR A 103 -12.319 6.105 6.005 1.00 0.00 H new ATOM 0 HB THR A 103 -13.494 8.184 5.165 1.00 0.00 H new ATOM 0 HG1 THR A 103 -14.012 6.847 2.728 1.00 0.00 H new ATOM 0 HG21 THR A 103 -12.067 8.443 3.170 1.00 0.00 H new ATOM 0 HG22 THR A 103 -11.186 7.677 4.514 1.00 0.00 H new ATOM 0 HG23 THR A 103 -11.774 6.687 3.157 1.00 0.00 H new ATOM 1607 N ARG A 107 -18.400 4.599 1.432 1.00 0.00 N ATOM 1608 CA ARG A 107 -17.381 5.385 0.747 1.00 0.00 C ATOM 1609 C ARG A 107 -15.993 4.791 0.972 1.00 0.00 C ATOM 1610 O ARG A 107 -15.591 4.538 2.108 1.00 0.00 O ATOM 1611 CB ARG A 107 -17.411 6.835 1.234 1.00 0.00 C ATOM 1612 CG ARG A 107 -18.339 7.729 0.429 1.00 0.00 C ATOM 1613 CD ARG A 107 -19.744 7.743 1.012 1.00 0.00 C ATOM 1614 NE ARG A 107 -20.707 8.359 0.104 1.00 0.00 N ATOM 1615 CZ ARG A 107 -22.021 8.188 0.201 1.00 0.00 C ATOM 1616 NH1 ARG A 107 -22.525 7.424 1.160 1.00 0.00 N ATOM 1617 NH2 ARG A 107 -22.834 8.783 -0.664 1.00 0.00 N ATOM 0 HA ARG A 107 -17.599 5.363 -0.321 1.00 0.00 H new ATOM 0 HB2 ARG A 107 -17.720 6.852 2.279 1.00 0.00 H new ATOM 0 HB3 ARG A 107 -16.401 7.244 1.194 1.00 0.00 H new ATOM 0 HG2 ARG A 107 -17.942 8.744 0.410 1.00 0.00 H new ATOM 0 HG3 ARG A 107 -18.376 7.381 -0.603 1.00 0.00 H new ATOM 0 HD2 ARG A 107 -20.055 6.722 1.232 1.00 0.00 H new ATOM 0 HD3 ARG A 107 -19.739 8.286 1.957 1.00 0.00 H new ATOM 0 HE ARG A 107 -20.352 8.953 -0.645 1.00 0.00 H new ATOM 0 HH11 ARG A 107 -21.904 6.965 1.826 1.00 0.00 H new ATOM 0 HH12 ARG A 107 -23.534 7.295 1.232 1.00 0.00 H new ATOM 0 HH21 ARG A 107 -22.450 9.372 -1.403 1.00 0.00 H new ATOM 0 HH22 ARG A 107 -23.843 8.651 -0.589 1.00 0.00 H new ATOM 1631 N PHE A 108 -15.267 4.568 -0.119 1.00 0.00 N ATOM 1632 CA PHE A 108 -13.925 4.002 -0.041 1.00 0.00 C ATOM 1633 C PHE A 108 -12.925 4.866 -0.804 1.00 0.00 C ATOM 1634 O PHE A 108 -13.180 5.273 -1.937 1.00 0.00 O ATOM 1635 CB PHE A 108 -13.917 2.578 -0.599 1.00 0.00 C ATOM 1636 CG PHE A 108 -15.098 1.757 -0.166 1.00 0.00 C ATOM 1637 CD1 PHE A 108 -15.403 1.614 1.178 1.00 0.00 C ATOM 1638 CD2 PHE A 108 -15.902 1.128 -1.102 1.00 0.00 C ATOM 1639 CE1 PHE A 108 -16.489 0.860 1.580 1.00 0.00 C ATOM 1640 CE2 PHE A 108 -16.990 0.373 -0.706 1.00 0.00 C ATOM 1641 CZ PHE A 108 -17.283 0.238 0.637 1.00 0.00 C ATOM 0 H PHE A 108 -15.585 4.770 -1.067 1.00 0.00 H new ATOM 0 HA PHE A 108 -13.629 3.976 1.008 1.00 0.00 H new ATOM 0 HB2 PHE A 108 -13.896 2.623 -1.688 1.00 0.00 H new ATOM 0 HB3 PHE A 108 -13.002 2.078 -0.283 1.00 0.00 H new ATOM 0 HD1 PHE A 108 -14.785 2.097 1.920 1.00 0.00 H new ATOM 0 HD2 PHE A 108 -15.676 1.229 -2.153 1.00 0.00 H new ATOM 0 HE1 PHE A 108 -16.717 0.757 2.631 1.00 0.00 H new ATOM 0 HE2 PHE A 108 -17.610 -0.111 -1.446 1.00 0.00 H new ATOM 0 HZ PHE A 108 -18.131 -0.353 0.949 1.00 0.00 H new ATOM 1651 N GLU A 109 -11.787 5.141 -0.174 1.00 0.00 N ATOM 1652 CA GLU A 109 -10.750 5.957 -0.794 1.00 0.00 C ATOM 1653 C GLU A 109 -9.579 5.092 -1.252 1.00 0.00 C ATOM 1654 O GLU A 109 -9.274 4.067 -0.641 1.00 0.00 O ATOM 1655 CB GLU A 109 -10.257 7.025 0.185 1.00 0.00 C ATOM 1656 CG GLU A 109 -11.235 8.172 0.377 1.00 0.00 C ATOM 1657 CD GLU A 109 -12.681 7.717 0.351 1.00 0.00 C ATOM 1658 OE1 GLU A 109 -13.078 6.949 1.252 1.00 0.00 O ATOM 1659 OE2 GLU A 109 -13.416 8.130 -0.571 1.00 0.00 O ATOM 0 H GLU A 109 -11.560 4.811 0.764 1.00 0.00 H new ATOM 0 HA GLU A 109 -11.182 6.446 -1.667 1.00 0.00 H new ATOM 0 HB2 GLU A 109 -10.063 6.559 1.151 1.00 0.00 H new ATOM 0 HB3 GLU A 109 -9.308 7.424 -0.173 1.00 0.00 H new ATOM 0 HG2 GLU A 109 -11.030 8.664 1.328 1.00 0.00 H new ATOM 0 HG3 GLU A 109 -11.077 8.914 -0.406 1.00 0.00 H new ATOM 1666 N CYS A 110 -8.927 5.513 -2.330 1.00 0.00 N ATOM 1667 CA CYS A 110 -7.790 4.778 -2.872 1.00 0.00 C ATOM 1668 C CYS A 110 -6.566 5.680 -2.992 1.00 0.00 C ATOM 1669 O CYS A 110 -6.506 6.550 -3.862 1.00 0.00 O ATOM 1670 CB CYS A 110 -8.141 4.189 -4.239 1.00 0.00 C ATOM 1671 SG CYS A 110 -7.021 2.881 -4.789 1.00 0.00 S ATOM 0 H CYS A 110 -9.166 6.360 -2.846 1.00 0.00 H new ATOM 0 HA CYS A 110 -7.554 3.966 -2.185 1.00 0.00 H new ATOM 0 HB2 CYS A 110 -9.155 3.792 -4.202 1.00 0.00 H new ATOM 0 HB3 CYS A 110 -8.139 4.989 -4.979 1.00 0.00 H new ATOM 0 HG CYS A 110 -7.401 2.445 -5.953 1.00 0.00 H new ATOM 1677 N HIS A 111 -5.592 5.468 -2.113 1.00 0.00 N ATOM 1678 CA HIS A 111 -4.369 6.263 -2.120 1.00 0.00 C ATOM 1679 C HIS A 111 -3.282 5.580 -2.944 1.00 0.00 C ATOM 1680 O HIS A 111 -3.229 4.353 -3.026 1.00 0.00 O ATOM 1681 CB HIS A 111 -3.875 6.490 -0.691 1.00 0.00 C ATOM 1682 CG HIS A 111 -4.927 7.029 0.229 1.00 0.00 C ATOM 1683 ND1 HIS A 111 -5.151 8.377 0.408 1.00 0.00 N ATOM 1684 CD2 HIS A 111 -5.821 6.392 1.021 1.00 0.00 C ATOM 1685 CE1 HIS A 111 -6.136 8.547 1.272 1.00 0.00 C ATOM 1686 NE2 HIS A 111 -6.560 7.358 1.660 1.00 0.00 N ATOM 0 H HIS A 111 -5.626 4.752 -1.387 1.00 0.00 H new ATOM 0 HA HIS A 111 -4.594 7.227 -2.576 1.00 0.00 H new ATOM 0 HB2 HIS A 111 -3.502 5.547 -0.290 1.00 0.00 H new ATOM 0 HB3 HIS A 111 -3.033 7.182 -0.712 1.00 0.00 H new ATOM 0 HD2 HIS A 111 -5.933 5.323 1.130 1.00 0.00 H new ATOM 0 HE1 HIS A 111 -6.528 9.497 1.604 1.00 0.00 H new ATOM 0 HE2 HIS A 111 -7.313 7.185 2.326 1.00 0.00 H new ATOM 1694 N VAL A 112 -2.417 6.384 -3.555 1.00 0.00 N ATOM 1695 CA VAL A 112 -1.331 5.858 -4.373 1.00 0.00 C ATOM 1696 C VAL A 112 0.021 6.371 -3.889 1.00 0.00 C ATOM 1697 O VAL A 112 0.143 7.517 -3.456 1.00 0.00 O ATOM 1698 CB VAL A 112 -1.510 6.236 -5.855 1.00 0.00 C ATOM 1699 CG1 VAL A 112 -0.625 5.370 -6.739 1.00 0.00 C ATOM 1700 CG2 VAL A 112 -2.971 6.111 -6.263 1.00 0.00 C ATOM 0 H VAL A 112 -2.448 7.402 -3.499 1.00 0.00 H new ATOM 0 HA VAL A 112 -1.360 4.773 -4.276 1.00 0.00 H new ATOM 0 HB VAL A 112 -1.207 7.275 -5.986 1.00 0.00 H new ATOM 0 HG11 VAL A 112 -0.766 5.652 -7.782 1.00 0.00 H new ATOM 0 HG12 VAL A 112 0.419 5.515 -6.462 1.00 0.00 H new ATOM 0 HG13 VAL A 112 -0.894 4.322 -6.607 1.00 0.00 H new ATOM 0 HG21 VAL A 112 -3.080 6.382 -7.313 1.00 0.00 H new ATOM 0 HG22 VAL A 112 -3.303 5.083 -6.117 1.00 0.00 H new ATOM 0 HG23 VAL A 112 -3.578 6.779 -5.651 1.00 0.00 H new ATOM 1710 N PHE A 113 1.034 5.515 -3.965 1.00 0.00 N ATOM 1711 CA PHE A 113 2.378 5.882 -3.534 1.00 0.00 C ATOM 1712 C PHE A 113 3.432 5.239 -4.432 1.00 0.00 C ATOM 1713 O PHE A 113 3.394 4.035 -4.687 1.00 0.00 O ATOM 1714 CB PHE A 113 2.604 5.459 -2.081 1.00 0.00 C ATOM 1715 CG PHE A 113 1.502 5.887 -1.154 1.00 0.00 C ATOM 1716 CD1 PHE A 113 0.392 5.080 -0.957 1.00 0.00 C ATOM 1717 CD2 PHE A 113 1.575 7.095 -0.481 1.00 0.00 C ATOM 1718 CE1 PHE A 113 -0.623 5.471 -0.105 1.00 0.00 C ATOM 1719 CE2 PHE A 113 0.562 7.491 0.373 1.00 0.00 C ATOM 1720 CZ PHE A 113 -0.539 6.678 0.560 1.00 0.00 C ATOM 0 H PHE A 113 0.950 4.563 -4.321 1.00 0.00 H new ATOM 0 HA PHE A 113 2.473 6.965 -3.609 1.00 0.00 H new ATOM 0 HB2 PHE A 113 2.704 4.374 -2.038 1.00 0.00 H new ATOM 0 HB3 PHE A 113 3.547 5.880 -1.731 1.00 0.00 H new ATOM 0 HD1 PHE A 113 0.320 4.135 -1.475 1.00 0.00 H new ATOM 0 HD2 PHE A 113 2.433 7.735 -0.625 1.00 0.00 H new ATOM 0 HE1 PHE A 113 -1.482 4.833 0.041 1.00 0.00 H new ATOM 0 HE2 PHE A 113 0.632 8.435 0.893 1.00 0.00 H new ATOM 0 HZ PHE A 113 -1.332 6.986 1.225 1.00 0.00 H new ATOM 1730 N TRP A 114 4.369 6.050 -4.907 1.00 0.00 N ATOM 1731 CA TRP A 114 5.433 5.561 -5.777 1.00 0.00 C ATOM 1732 C TRP A 114 6.584 4.986 -4.959 1.00 0.00 C ATOM 1733 O TRP A 114 7.174 5.678 -4.128 1.00 0.00 O ATOM 1734 CB TRP A 114 5.944 6.689 -6.676 1.00 0.00 C ATOM 1735 CG TRP A 114 6.961 6.235 -7.678 1.00 0.00 C ATOM 1736 CD1 TRP A 114 8.302 6.081 -7.472 1.00 0.00 C ATOM 1737 CD2 TRP A 114 6.720 5.879 -9.044 1.00 0.00 C ATOM 1738 NE1 TRP A 114 8.909 5.650 -8.627 1.00 0.00 N ATOM 1739 CE2 TRP A 114 7.960 5.518 -9.606 1.00 0.00 C ATOM 1740 CE3 TRP A 114 5.576 5.828 -9.846 1.00 0.00 C ATOM 1741 CZ2 TRP A 114 8.086 5.113 -10.932 1.00 0.00 C ATOM 1742 CZ3 TRP A 114 5.704 5.426 -11.162 1.00 0.00 C ATOM 1743 CH2 TRP A 114 6.951 5.073 -11.694 1.00 0.00 C ATOM 0 H TRP A 114 4.414 7.049 -4.705 1.00 0.00 H new ATOM 0 HA TRP A 114 5.022 4.767 -6.400 1.00 0.00 H new ATOM 0 HB2 TRP A 114 5.100 7.135 -7.202 1.00 0.00 H new ATOM 0 HB3 TRP A 114 6.381 7.470 -6.054 1.00 0.00 H new ATOM 0 HD1 TRP A 114 8.811 6.270 -6.538 1.00 0.00 H new ATOM 0 HE1 TRP A 114 9.905 5.459 -8.737 1.00 0.00 H new ATOM 0 HE3 TRP A 114 4.610 6.098 -9.445 1.00 0.00 H new ATOM 0 HZ2 TRP A 114 9.046 4.840 -11.344 1.00 0.00 H new ATOM 0 HZ3 TRP A 114 4.827 5.383 -11.791 1.00 0.00 H new ATOM 0 HH2 TRP A 114 7.017 4.763 -12.726 1.00 0.00 H new ATOM 1754 N CYS A 115 6.899 3.718 -5.199 1.00 0.00 N ATOM 1755 CA CYS A 115 7.980 3.050 -4.483 1.00 0.00 C ATOM 1756 C CYS A 115 9.286 3.136 -5.267 1.00 0.00 C ATOM 1757 O CYS A 115 9.290 3.482 -6.448 1.00 0.00 O ATOM 1758 CB CYS A 115 7.621 1.586 -4.226 1.00 0.00 C ATOM 1759 SG CYS A 115 6.173 1.356 -3.168 1.00 0.00 S ATOM 0 H CYS A 115 6.421 3.132 -5.884 1.00 0.00 H new ATOM 0 HA CYS A 115 8.117 3.556 -3.527 1.00 0.00 H new ATOM 0 HB2 CYS A 115 7.441 1.094 -5.182 1.00 0.00 H new ATOM 0 HB3 CYS A 115 8.476 1.089 -3.767 1.00 0.00 H new ATOM 0 HG CYS A 115 5.102 1.307 -3.903 1.00 0.00 H new ATOM 1765 N GLU A 116 10.392 2.821 -4.601 1.00 0.00 N ATOM 1766 CA GLU A 116 11.704 2.865 -5.235 1.00 0.00 C ATOM 1767 C GLU A 116 12.657 1.865 -4.586 1.00 0.00 C ATOM 1768 O GLU A 116 12.886 1.883 -3.377 1.00 0.00 O ATOM 1769 CB GLU A 116 12.290 4.276 -5.147 1.00 0.00 C ATOM 1770 CG GLU A 116 11.521 5.306 -5.956 1.00 0.00 C ATOM 1771 CD GLU A 116 12.255 6.629 -6.065 1.00 0.00 C ATOM 1772 OE1 GLU A 116 12.445 7.290 -5.024 1.00 0.00 O ATOM 1773 OE2 GLU A 116 12.640 7.001 -7.194 1.00 0.00 O ATOM 0 H GLU A 116 10.406 2.533 -3.623 1.00 0.00 H new ATOM 0 HA GLU A 116 11.581 2.595 -6.284 1.00 0.00 H new ATOM 0 HB2 GLU A 116 12.310 4.588 -4.103 1.00 0.00 H new ATOM 0 HB3 GLU A 116 13.324 4.253 -5.492 1.00 0.00 H new ATOM 0 HG2 GLU A 116 11.337 4.913 -6.956 1.00 0.00 H new ATOM 0 HG3 GLU A 116 10.547 5.472 -5.495 1.00 0.00 H new ATOM 1780 N PRO A 117 13.225 0.971 -5.409 1.00 0.00 N ATOM 1781 CA PRO A 117 12.959 0.939 -6.850 1.00 0.00 C ATOM 1782 C PRO A 117 11.541 0.478 -7.168 1.00 0.00 C ATOM 1783 O PRO A 117 10.842 1.095 -7.970 1.00 0.00 O ATOM 1784 CB PRO A 117 13.981 -0.070 -7.377 1.00 0.00 C ATOM 1785 CG PRO A 117 14.277 -0.953 -6.214 1.00 0.00 C ATOM 1786 CD PRO A 117 14.170 -0.080 -4.994 1.00 0.00 C ATOM 0 HA PRO A 117 13.044 1.927 -7.302 1.00 0.00 H new ATOM 0 HB2 PRO A 117 13.579 -0.640 -8.214 1.00 0.00 H new ATOM 0 HB3 PRO A 117 14.882 0.429 -7.734 1.00 0.00 H new ATOM 0 HG2 PRO A 117 13.571 -1.782 -6.164 1.00 0.00 H new ATOM 0 HG3 PRO A 117 15.273 -1.387 -6.297 1.00 0.00 H new ATOM 0 HD2 PRO A 117 13.800 -0.636 -4.133 1.00 0.00 H new ATOM 0 HD3 PRO A 117 15.137 0.337 -4.712 1.00 0.00 H new ATOM 1794 N ASN A 118 11.122 -0.613 -6.533 1.00 0.00 N ATOM 1795 CA ASN A 118 9.787 -1.157 -6.749 1.00 0.00 C ATOM 1796 C ASN A 118 9.028 -1.277 -5.431 1.00 0.00 C ATOM 1797 O ASN A 118 9.517 -0.860 -4.382 1.00 0.00 O ATOM 1798 CB ASN A 118 9.875 -2.527 -7.426 1.00 0.00 C ATOM 1799 CG ASN A 118 10.103 -3.649 -6.432 1.00 0.00 C ATOM 1800 OD1 ASN A 118 9.156 -4.293 -5.978 1.00 0.00 O ATOM 1801 ND2 ASN A 118 11.363 -3.888 -6.088 1.00 0.00 N ATOM 0 H ASN A 118 11.688 -1.137 -5.865 1.00 0.00 H new ATOM 0 HA ASN A 118 9.244 -0.471 -7.399 1.00 0.00 H new ATOM 0 HB2 ASN A 118 8.955 -2.716 -7.978 1.00 0.00 H new ATOM 0 HB3 ASN A 118 10.687 -2.519 -8.153 1.00 0.00 H new ATOM 0 HD21 ASN A 118 11.578 -4.630 -5.422 1.00 0.00 H new ATOM 0 HD22 ASN A 118 12.116 -3.329 -6.489 1.00 0.00 H new ATOM 1808 N ALA A 119 7.831 -1.850 -5.494 1.00 0.00 N ATOM 1809 CA ALA A 119 7.006 -2.027 -4.305 1.00 0.00 C ATOM 1810 C ALA A 119 7.069 -3.465 -3.803 1.00 0.00 C ATOM 1811 O ALA A 119 6.038 -4.104 -3.589 1.00 0.00 O ATOM 1812 CB ALA A 119 5.566 -1.631 -4.598 1.00 0.00 C ATOM 0 H ALA A 119 7.411 -2.200 -6.355 1.00 0.00 H new ATOM 0 HA ALA A 119 7.397 -1.378 -3.521 1.00 0.00 H new ATOM 0 HB1 ALA A 119 4.961 -1.768 -3.702 1.00 0.00 H new ATOM 0 HB2 ALA A 119 5.531 -0.585 -4.903 1.00 0.00 H new ATOM 0 HB3 ALA A 119 5.173 -2.256 -5.400 1.00 0.00 H new ATOM 1818 N ALA A 120 8.284 -3.970 -3.616 1.00 0.00 N ATOM 1819 CA ALA A 120 8.481 -5.332 -3.137 1.00 0.00 C ATOM 1820 C ALA A 120 8.341 -5.407 -1.621 1.00 0.00 C ATOM 1821 O ALA A 120 7.598 -6.236 -1.097 1.00 0.00 O ATOM 1822 CB ALA A 120 9.844 -5.852 -3.570 1.00 0.00 C ATOM 0 H ALA A 120 9.147 -3.455 -3.789 1.00 0.00 H new ATOM 0 HA ALA A 120 7.708 -5.961 -3.578 1.00 0.00 H new ATOM 0 HB1 ALA A 120 9.978 -6.870 -3.205 1.00 0.00 H new ATOM 0 HB2 ALA A 120 9.907 -5.845 -4.658 1.00 0.00 H new ATOM 0 HB3 ALA A 120 10.625 -5.213 -3.157 1.00 0.00 H new ATOM 1828 N ASN A 121 9.060 -4.535 -0.921 1.00 0.00 N ATOM 1829 CA ASN A 121 9.017 -4.504 0.536 1.00 0.00 C ATOM 1830 C ASN A 121 7.767 -3.779 1.028 1.00 0.00 C ATOM 1831 O ASN A 121 7.193 -4.137 2.056 1.00 0.00 O ATOM 1832 CB ASN A 121 10.268 -3.818 1.090 1.00 0.00 C ATOM 1833 CG ASN A 121 11.544 -4.363 0.478 1.00 0.00 C ATOM 1834 OD1 ASN A 121 12.077 -3.799 -0.478 1.00 0.00 O ATOM 1835 ND2 ASN A 121 12.040 -5.466 1.027 1.00 0.00 N ATOM 0 H ASN A 121 9.679 -3.841 -1.340 1.00 0.00 H new ATOM 0 HA ASN A 121 8.985 -5.533 0.895 1.00 0.00 H new ATOM 0 HB2 ASN A 121 10.206 -2.746 0.900 1.00 0.00 H new ATOM 0 HB3 ASN A 121 10.302 -3.949 2.172 1.00 0.00 H new ATOM 0 HD21 ASN A 121 12.896 -5.879 0.657 1.00 0.00 H new ATOM 0 HD22 ASN A 121 11.565 -5.900 1.818 1.00 0.00 H new ATOM 1842 N VAL A 122 7.351 -2.759 0.285 1.00 0.00 N ATOM 1843 CA VAL A 122 6.168 -1.985 0.643 1.00 0.00 C ATOM 1844 C VAL A 122 4.923 -2.864 0.672 1.00 0.00 C ATOM 1845 O VAL A 122 4.234 -2.949 1.688 1.00 0.00 O ATOM 1846 CB VAL A 122 5.939 -0.822 -0.340 1.00 0.00 C ATOM 1847 CG1 VAL A 122 4.578 -0.184 -0.106 1.00 0.00 C ATOM 1848 CG2 VAL A 122 7.050 0.210 -0.212 1.00 0.00 C ATOM 0 H VAL A 122 7.815 -2.449 -0.569 1.00 0.00 H new ATOM 0 HA VAL A 122 6.346 -1.579 1.639 1.00 0.00 H new ATOM 0 HB VAL A 122 5.957 -1.219 -1.355 1.00 0.00 H new ATOM 0 HG11 VAL A 122 4.435 0.636 -0.810 1.00 0.00 H new ATOM 0 HG12 VAL A 122 3.797 -0.930 -0.253 1.00 0.00 H new ATOM 0 HG13 VAL A 122 4.526 0.200 0.913 1.00 0.00 H new ATOM 0 HG21 VAL A 122 6.872 1.025 -0.914 1.00 0.00 H new ATOM 0 HG22 VAL A 122 7.066 0.603 0.804 1.00 0.00 H new ATOM 0 HG23 VAL A 122 8.009 -0.258 -0.435 1.00 0.00 H new ATOM 1858 N SER A 123 4.641 -3.518 -0.451 1.00 0.00 N ATOM 1859 CA SER A 123 3.477 -4.389 -0.556 1.00 0.00 C ATOM 1860 C SER A 123 3.643 -5.626 0.322 1.00 0.00 C ATOM 1861 O SER A 123 2.664 -6.186 0.814 1.00 0.00 O ATOM 1862 CB SER A 123 3.258 -4.809 -2.011 1.00 0.00 C ATOM 1863 OG SER A 123 2.615 -3.782 -2.747 1.00 0.00 O ATOM 0 H SER A 123 5.203 -3.461 -1.300 1.00 0.00 H new ATOM 0 HA SER A 123 2.606 -3.833 -0.210 1.00 0.00 H new ATOM 0 HB2 SER A 123 4.217 -5.046 -2.473 1.00 0.00 H new ATOM 0 HB3 SER A 123 2.655 -5.717 -2.044 1.00 0.00 H new ATOM 0 HG SER A 123 2.182 -3.158 -2.128 1.00 0.00 H new ATOM 1869 N GLU A 124 4.890 -6.046 0.512 1.00 0.00 N ATOM 1870 CA GLU A 124 5.184 -7.217 1.330 1.00 0.00 C ATOM 1871 C GLU A 124 4.866 -6.949 2.798 1.00 0.00 C ATOM 1872 O GLU A 124 4.362 -7.822 3.505 1.00 0.00 O ATOM 1873 CB GLU A 124 6.654 -7.615 1.180 1.00 0.00 C ATOM 1874 CG GLU A 124 7.117 -8.631 2.209 1.00 0.00 C ATOM 1875 CD GLU A 124 6.599 -10.028 1.926 1.00 0.00 C ATOM 1876 OE1 GLU A 124 5.382 -10.255 2.092 1.00 0.00 O ATOM 1877 OE2 GLU A 124 7.410 -10.894 1.537 1.00 0.00 O ATOM 0 H GLU A 124 5.712 -5.594 0.111 1.00 0.00 H new ATOM 0 HA GLU A 124 4.555 -8.037 0.984 1.00 0.00 H new ATOM 0 HB2 GLU A 124 6.811 -8.024 0.182 1.00 0.00 H new ATOM 0 HB3 GLU A 124 7.273 -6.722 1.260 1.00 0.00 H new ATOM 0 HG2 GLU A 124 8.207 -8.649 2.231 1.00 0.00 H new ATOM 0 HG3 GLU A 124 6.784 -8.318 3.198 1.00 0.00 H new ATOM 1884 N ALA A 125 5.165 -5.735 3.250 1.00 0.00 N ATOM 1885 CA ALA A 125 4.910 -5.351 4.633 1.00 0.00 C ATOM 1886 C ALA A 125 3.414 -5.292 4.920 1.00 0.00 C ATOM 1887 O ALA A 125 2.928 -5.909 5.869 1.00 0.00 O ATOM 1888 CB ALA A 125 5.561 -4.010 4.937 1.00 0.00 C ATOM 0 H ALA A 125 5.584 -5.001 2.679 1.00 0.00 H new ATOM 0 HA ALA A 125 5.348 -6.110 5.281 1.00 0.00 H new ATOM 0 HB1 ALA A 125 5.362 -3.736 5.973 1.00 0.00 H new ATOM 0 HB2 ALA A 125 6.637 -4.084 4.781 1.00 0.00 H new ATOM 0 HB3 ALA A 125 5.150 -3.248 4.275 1.00 0.00 H new ATOM 1894 N VAL A 126 2.687 -4.546 4.094 1.00 0.00 N ATOM 1895 CA VAL A 126 1.245 -4.407 4.259 1.00 0.00 C ATOM 1896 C VAL A 126 0.544 -5.755 4.130 1.00 0.00 C ATOM 1897 O VAL A 126 -0.305 -6.104 4.950 1.00 0.00 O ATOM 1898 CB VAL A 126 0.653 -3.433 3.223 1.00 0.00 C ATOM 1899 CG1 VAL A 126 0.961 -3.904 1.810 1.00 0.00 C ATOM 1900 CG2 VAL A 126 -0.847 -3.284 3.429 1.00 0.00 C ATOM 0 H VAL A 126 3.073 -4.029 3.304 1.00 0.00 H new ATOM 0 HA VAL A 126 1.078 -4.008 5.260 1.00 0.00 H new ATOM 0 HB VAL A 126 1.115 -2.456 3.363 1.00 0.00 H new ATOM 0 HG11 VAL A 126 0.535 -3.203 1.092 1.00 0.00 H new ATOM 0 HG12 VAL A 126 2.041 -3.955 1.671 1.00 0.00 H new ATOM 0 HG13 VAL A 126 0.528 -4.892 1.653 1.00 0.00 H new ATOM 0 HG21 VAL A 126 -1.249 -2.592 2.689 1.00 0.00 H new ATOM 0 HG22 VAL A 126 -1.328 -4.256 3.317 1.00 0.00 H new ATOM 0 HG23 VAL A 126 -1.040 -2.897 4.430 1.00 0.00 H new ATOM 1910 N GLN A 127 0.907 -6.508 3.097 1.00 0.00 N ATOM 1911 CA GLN A 127 0.313 -7.819 2.861 1.00 0.00 C ATOM 1912 C GLN A 127 0.457 -8.711 4.090 1.00 0.00 C ATOM 1913 O GLN A 127 -0.518 -9.289 4.568 1.00 0.00 O ATOM 1914 CB GLN A 127 0.965 -8.488 1.651 1.00 0.00 C ATOM 1915 CG GLN A 127 0.465 -9.900 1.393 1.00 0.00 C ATOM 1916 CD GLN A 127 1.196 -10.579 0.252 1.00 0.00 C ATOM 1917 OE1 GLN A 127 2.287 -11.120 0.433 1.00 0.00 O ATOM 1918 NE2 GLN A 127 0.598 -10.554 -0.933 1.00 0.00 N ATOM 0 H GLN A 127 1.609 -6.233 2.410 1.00 0.00 H new ATOM 0 HA GLN A 127 -0.749 -7.678 2.660 1.00 0.00 H new ATOM 0 HB2 GLN A 127 0.780 -7.879 0.766 1.00 0.00 H new ATOM 0 HB3 GLN A 127 2.045 -8.515 1.799 1.00 0.00 H new ATOM 0 HG2 GLN A 127 0.583 -10.494 2.299 1.00 0.00 H new ATOM 0 HG3 GLN A 127 -0.601 -9.868 1.169 1.00 0.00 H new ATOM 0 HE21 GLN A 127 -0.306 -10.094 -1.038 1.00 0.00 H new ATOM 0 HE22 GLN A 127 1.043 -10.995 -1.738 1.00 0.00 H new ATOM 1927 N ALA A 128 1.682 -8.819 4.596 1.00 0.00 N ATOM 1928 CA ALA A 128 1.954 -9.639 5.770 1.00 0.00 C ATOM 1929 C ALA A 128 1.378 -9.002 7.030 1.00 0.00 C ATOM 1930 O ALA A 128 1.037 -9.696 7.987 1.00 0.00 O ATOM 1931 CB ALA A 128 3.451 -9.859 5.924 1.00 0.00 C ATOM 0 H ALA A 128 2.501 -8.349 4.211 1.00 0.00 H new ATOM 0 HA ALA A 128 1.469 -10.605 5.629 1.00 0.00 H new ATOM 0 HB1 ALA A 128 3.640 -10.473 6.805 1.00 0.00 H new ATOM 0 HB2 ALA A 128 3.837 -10.365 5.039 1.00 0.00 H new ATOM 0 HB3 ALA A 128 3.950 -8.897 6.039 1.00 0.00 H new ATOM 1937 N ALA A 129 1.274 -7.677 7.023 1.00 0.00 N ATOM 1938 CA ALA A 129 0.739 -6.947 8.166 1.00 0.00 C ATOM 1939 C ALA A 129 -0.665 -7.428 8.515 1.00 0.00 C ATOM 1940 O ALA A 129 -1.046 -7.463 9.686 1.00 0.00 O ATOM 1941 CB ALA A 129 0.732 -5.452 7.881 1.00 0.00 C ATOM 0 H ALA A 129 1.553 -7.087 6.239 1.00 0.00 H new ATOM 0 HA ALA A 129 1.384 -7.139 9.023 1.00 0.00 H new ATOM 0 HB1 ALA A 129 0.330 -4.919 8.743 1.00 0.00 H new ATOM 0 HB2 ALA A 129 1.750 -5.114 7.688 1.00 0.00 H new ATOM 0 HB3 ALA A 129 0.111 -5.251 7.008 1.00 0.00 H new ATOM 1947 N CYS A 130 -1.431 -7.795 7.494 1.00 0.00 N ATOM 1948 CA CYS A 130 -2.795 -8.272 7.693 1.00 0.00 C ATOM 1949 C CYS A 130 -2.840 -9.359 8.763 1.00 0.00 C ATOM 1950 O CYS A 130 -3.683 -9.327 9.659 1.00 0.00 O ATOM 1951 CB CYS A 130 -3.367 -8.809 6.380 1.00 0.00 C ATOM 1952 SG CYS A 130 -3.575 -7.551 5.098 1.00 0.00 S ATOM 0 H CYS A 130 -1.131 -7.771 6.519 1.00 0.00 H new ATOM 0 HA CYS A 130 -3.402 -7.431 8.028 1.00 0.00 H new ATOM 0 HB2 CYS A 130 -2.709 -9.592 6.003 1.00 0.00 H new ATOM 0 HB3 CYS A 130 -4.333 -9.273 6.579 1.00 0.00 H new ATOM 0 HG CYS A 130 -3.998 -8.112 4.004 1.00 0.00 H new ATOM 2337 N HIS A 163 6.039 -12.124 -6.515 1.00 0.00 N ATOM 2338 CA HIS A 163 5.120 -11.527 -5.553 1.00 0.00 C ATOM 2339 C HIS A 163 4.361 -10.361 -6.178 1.00 0.00 C ATOM 2340 O HIS A 163 3.129 -10.343 -6.188 1.00 0.00 O ATOM 2341 CB HIS A 163 5.883 -11.050 -4.316 1.00 0.00 C ATOM 2342 CG HIS A 163 5.210 -9.922 -3.596 1.00 0.00 C ATOM 2343 ND1 HIS A 163 4.119 -10.099 -2.772 1.00 0.00 N ATOM 2344 CD2 HIS A 163 5.482 -8.596 -3.579 1.00 0.00 C ATOM 2345 CE1 HIS A 163 3.747 -8.931 -2.280 1.00 0.00 C ATOM 2346 NE2 HIS A 163 4.558 -8.002 -2.754 1.00 0.00 N ATOM 0 HA HIS A 163 4.399 -12.288 -5.255 1.00 0.00 H new ATOM 0 HB2 HIS A 163 6.005 -11.887 -3.629 1.00 0.00 H new ATOM 0 HB3 HIS A 163 6.883 -10.735 -4.615 1.00 0.00 H new ATOM 0 HD1 HIS A 163 3.669 -10.993 -2.573 1.00 0.00 H new ATOM 0 HD2 HIS A 163 6.277 -8.098 -4.114 1.00 0.00 H new ATOM 0 HE1 HIS A 163 2.921 -8.764 -1.605 1.00 0.00 H new ATOM 2354 N LEU A 164 5.102 -9.389 -6.697 1.00 0.00 N ATOM 2355 CA LEU A 164 4.499 -8.218 -7.324 1.00 0.00 C ATOM 2356 C LEU A 164 3.404 -8.628 -8.303 1.00 0.00 C ATOM 2357 O LEU A 164 2.274 -8.145 -8.225 1.00 0.00 O ATOM 2358 CB LEU A 164 5.566 -7.396 -8.049 1.00 0.00 C ATOM 2359 CG LEU A 164 6.551 -6.639 -7.158 1.00 0.00 C ATOM 2360 CD1 LEU A 164 7.780 -6.226 -7.951 1.00 0.00 C ATOM 2361 CD2 LEU A 164 5.881 -5.422 -6.536 1.00 0.00 C ATOM 0 H LEU A 164 6.122 -9.388 -6.696 1.00 0.00 H new ATOM 0 HA LEU A 164 4.050 -7.608 -6.540 1.00 0.00 H new ATOM 0 HB2 LEU A 164 6.133 -8.065 -8.697 1.00 0.00 H new ATOM 0 HB3 LEU A 164 5.064 -6.676 -8.695 1.00 0.00 H new ATOM 0 HG LEU A 164 6.869 -7.304 -6.355 1.00 0.00 H new ATOM 0 HD11 LEU A 164 8.469 -5.688 -7.300 1.00 0.00 H new ATOM 0 HD12 LEU A 164 8.273 -7.114 -8.347 1.00 0.00 H new ATOM 0 HD13 LEU A 164 7.481 -5.579 -8.775 1.00 0.00 H new ATOM 0 HD21 LEU A 164 6.597 -4.895 -5.905 1.00 0.00 H new ATOM 0 HD22 LEU A 164 5.533 -4.755 -7.325 1.00 0.00 H new ATOM 0 HD23 LEU A 164 5.032 -5.743 -5.932 1.00 0.00 H new ATOM 2373 N SER A 165 3.746 -9.523 -9.224 1.00 0.00 N ATOM 2374 CA SER A 165 2.792 -9.998 -10.220 1.00 0.00 C ATOM 2375 C SER A 165 1.478 -10.407 -9.562 1.00 0.00 C ATOM 2376 O SER A 165 0.398 -10.023 -10.013 1.00 0.00 O ATOM 2377 CB SER A 165 3.377 -11.180 -10.995 1.00 0.00 C ATOM 2378 OG SER A 165 4.521 -10.789 -11.734 1.00 0.00 O ATOM 0 H SER A 165 4.676 -9.934 -9.301 1.00 0.00 H new ATOM 0 HA SER A 165 2.592 -9.181 -10.914 1.00 0.00 H new ATOM 0 HB2 SER A 165 3.643 -11.978 -10.301 1.00 0.00 H new ATOM 0 HB3 SER A 165 2.624 -11.584 -11.671 1.00 0.00 H new ATOM 0 HG SER A 165 4.877 -11.562 -12.219 1.00 0.00 H new ATOM 2384 N LYS A 166 1.577 -11.188 -8.493 1.00 0.00 N ATOM 2385 CA LYS A 166 0.398 -11.650 -7.770 1.00 0.00 C ATOM 2386 C LYS A 166 -0.468 -10.473 -7.332 1.00 0.00 C ATOM 2387 O LYS A 166 -1.689 -10.591 -7.234 1.00 0.00 O ATOM 2388 CB LYS A 166 0.813 -12.473 -6.548 1.00 0.00 C ATOM 2389 CG LYS A 166 1.213 -13.900 -6.883 1.00 0.00 C ATOM 2390 CD LYS A 166 1.229 -14.780 -5.644 1.00 0.00 C ATOM 2391 CE LYS A 166 -0.127 -15.423 -5.400 1.00 0.00 C ATOM 2392 NZ LYS A 166 -0.173 -16.142 -4.096 1.00 0.00 N ATOM 0 H LYS A 166 2.463 -11.515 -8.107 1.00 0.00 H new ATOM 0 HA LYS A 166 -0.186 -12.278 -8.443 1.00 0.00 H new ATOM 0 HB2 LYS A 166 1.648 -11.977 -6.053 1.00 0.00 H new ATOM 0 HB3 LYS A 166 -0.013 -12.493 -5.837 1.00 0.00 H new ATOM 0 HG2 LYS A 166 0.517 -14.312 -7.614 1.00 0.00 H new ATOM 0 HG3 LYS A 166 2.200 -13.903 -7.345 1.00 0.00 H new ATOM 0 HD2 LYS A 166 1.986 -15.556 -5.757 1.00 0.00 H new ATOM 0 HD3 LYS A 166 1.512 -14.184 -4.776 1.00 0.00 H new ATOM 0 HE2 LYS A 166 -0.901 -14.656 -5.420 1.00 0.00 H new ATOM 0 HE3 LYS A 166 -0.349 -16.121 -6.208 1.00 0.00 H new ATOM 0 HZ1 LYS A 166 -1.114 -16.567 -3.967 1.00 0.00 H new ATOM 0 HZ2 LYS A 166 0.549 -16.890 -4.087 1.00 0.00 H new ATOM 0 HZ3 LYS A 166 0.013 -15.472 -3.323 1.00 0.00 H new ATOM 2406 N MET A 167 0.173 -9.338 -7.072 1.00 0.00 N ATOM 2407 CA MET A 167 -0.541 -8.138 -6.648 1.00 0.00 C ATOM 2408 C MET A 167 -1.295 -7.512 -7.817 1.00 0.00 C ATOM 2409 O MET A 167 -2.444 -7.097 -7.674 1.00 0.00 O ATOM 2410 CB MET A 167 0.436 -7.122 -6.053 1.00 0.00 C ATOM 2411 CG MET A 167 1.332 -7.702 -4.970 1.00 0.00 C ATOM 2412 SD MET A 167 0.433 -8.755 -3.815 1.00 0.00 S ATOM 2413 CE MET A 167 -0.251 -7.529 -2.702 1.00 0.00 C ATOM 0 H MET A 167 1.184 -9.224 -7.147 1.00 0.00 H new ATOM 0 HA MET A 167 -1.264 -8.426 -5.885 1.00 0.00 H new ATOM 0 HB2 MET A 167 1.059 -6.719 -6.851 1.00 0.00 H new ATOM 0 HB3 MET A 167 -0.129 -6.287 -5.637 1.00 0.00 H new ATOM 0 HG2 MET A 167 2.131 -8.279 -5.435 1.00 0.00 H new ATOM 0 HG3 MET A 167 1.805 -6.888 -4.421 1.00 0.00 H new ATOM 0 HE1 MET A 167 -0.836 -8.026 -1.928 1.00 0.00 H new ATOM 0 HE2 MET A 167 0.559 -6.966 -2.239 1.00 0.00 H new ATOM 0 HE3 MET A 167 -0.893 -6.848 -3.261 1.00 0.00 H new ATOM 2423 N GLN A 168 -0.639 -7.448 -8.972 1.00 0.00 N ATOM 2424 CA GLN A 168 -1.249 -6.871 -10.164 1.00 0.00 C ATOM 2425 C GLN A 168 -2.143 -7.889 -10.864 1.00 0.00 C ATOM 2426 O GLN A 168 -2.783 -7.578 -11.869 1.00 0.00 O ATOM 2427 CB GLN A 168 -0.168 -6.377 -11.127 1.00 0.00 C ATOM 2428 CG GLN A 168 0.940 -5.590 -10.445 1.00 0.00 C ATOM 2429 CD GLN A 168 2.250 -5.648 -11.206 1.00 0.00 C ATOM 2430 OE1 GLN A 168 3.017 -6.603 -11.074 1.00 0.00 O ATOM 2431 NE2 GLN A 168 2.514 -4.624 -12.009 1.00 0.00 N ATOM 0 H GLN A 168 0.313 -7.788 -9.107 1.00 0.00 H new ATOM 0 HA GLN A 168 -1.864 -6.026 -9.855 1.00 0.00 H new ATOM 0 HB2 GLN A 168 0.269 -7.234 -11.640 1.00 0.00 H new ATOM 0 HB3 GLN A 168 -0.631 -5.751 -11.890 1.00 0.00 H new ATOM 0 HG2 GLN A 168 0.631 -4.550 -10.341 1.00 0.00 H new ATOM 0 HG3 GLN A 168 1.091 -5.980 -9.439 1.00 0.00 H new ATOM 0 HE21 GLN A 168 1.850 -3.854 -12.088 1.00 0.00 H new ATOM 0 HE22 GLN A 168 3.381 -4.608 -12.547 1.00 0.00 H new ATOM 2440 N GLN A 169 -2.183 -9.104 -10.327 1.00 0.00 N ATOM 2441 CA GLN A 169 -2.998 -10.167 -10.902 1.00 0.00 C ATOM 2442 C GLN A 169 -4.354 -10.249 -10.208 1.00 0.00 C ATOM 2443 O GLN A 169 -5.379 -9.886 -10.783 1.00 0.00 O ATOM 2444 CB GLN A 169 -2.274 -11.510 -10.794 1.00 0.00 C ATOM 2445 CG GLN A 169 -1.294 -11.766 -11.928 1.00 0.00 C ATOM 2446 CD GLN A 169 -1.101 -13.243 -12.209 1.00 0.00 C ATOM 2447 OE1 GLN A 169 -1.965 -13.892 -12.800 1.00 0.00 O ATOM 2448 NE2 GLN A 169 0.036 -13.782 -11.788 1.00 0.00 N ATOM 0 H GLN A 169 -1.660 -9.377 -9.495 1.00 0.00 H new ATOM 0 HA GLN A 169 -3.162 -9.935 -11.954 1.00 0.00 H new ATOM 0 HB2 GLN A 169 -1.738 -11.549 -9.846 1.00 0.00 H new ATOM 0 HB3 GLN A 169 -3.013 -12.311 -10.776 1.00 0.00 H new ATOM 0 HG2 GLN A 169 -1.652 -11.272 -12.831 1.00 0.00 H new ATOM 0 HG3 GLN A 169 -0.332 -11.318 -11.680 1.00 0.00 H new ATOM 0 HE21 GLN A 169 0.724 -13.207 -11.302 1.00 0.00 H new ATOM 0 HE22 GLN A 169 0.222 -14.772 -11.950 1.00 0.00 H new ATOM 2457 N ASN A 170 -4.350 -10.729 -8.969 1.00 0.00 N ATOM 2458 CA ASN A 170 -5.580 -10.860 -8.196 1.00 0.00 C ATOM 2459 C ASN A 170 -5.592 -9.884 -7.023 1.00 0.00 C ATOM 2460 O ASN A 170 -6.643 -9.373 -6.638 1.00 0.00 O ATOM 2461 CB ASN A 170 -5.734 -12.293 -7.683 1.00 0.00 C ATOM 2462 CG ASN A 170 -4.860 -12.572 -6.476 1.00 0.00 C ATOM 2463 OD1 ASN A 170 -5.327 -12.546 -5.337 1.00 0.00 O ATOM 2464 ND2 ASN A 170 -3.583 -12.842 -6.720 1.00 0.00 N ATOM 0 H ASN A 170 -3.509 -11.034 -8.479 1.00 0.00 H new ATOM 0 HA ASN A 170 -6.418 -10.623 -8.851 1.00 0.00 H new ATOM 0 HB2 ASN A 170 -6.777 -12.472 -7.422 1.00 0.00 H new ATOM 0 HB3 ASN A 170 -5.480 -12.991 -8.481 1.00 0.00 H new ATOM 0 HD21 ASN A 170 -2.947 -13.039 -5.947 1.00 0.00 H new ATOM 0 HD22 ASN A 170 -3.238 -12.853 -7.680 1.00 0.00 H new ATOM 2471 N GLY A 171 -4.415 -9.629 -6.460 1.00 0.00 N ATOM 2472 CA GLY A 171 -4.312 -8.715 -5.338 1.00 0.00 C ATOM 2473 C GLY A 171 -4.582 -9.394 -4.010 1.00 0.00 C ATOM 2474 O GLY A 171 -4.715 -10.616 -3.946 1.00 0.00 O ATOM 0 H GLY A 171 -3.531 -10.039 -6.761 1.00 0.00 H new ATOM 0 HA2 GLY A 171 -3.315 -8.276 -5.322 1.00 0.00 H new ATOM 0 HA3 GLY A 171 -5.019 -7.896 -5.474 1.00 0.00 H new ATOM 2478 N TYR A 172 -4.662 -8.601 -2.947 1.00 0.00 N ATOM 2479 CA TYR A 172 -4.913 -9.134 -1.613 1.00 0.00 C ATOM 2480 C TYR A 172 -6.217 -8.583 -1.043 1.00 0.00 C ATOM 2481 O TYR A 172 -6.358 -7.377 -0.843 1.00 0.00 O ATOM 2482 CB TYR A 172 -3.751 -8.795 -0.679 1.00 0.00 C ATOM 2483 CG TYR A 172 -3.836 -9.480 0.666 1.00 0.00 C ATOM 2484 CD1 TYR A 172 -4.808 -9.121 1.592 1.00 0.00 C ATOM 2485 CD2 TYR A 172 -2.944 -10.489 1.012 1.00 0.00 C ATOM 2486 CE1 TYR A 172 -4.889 -9.744 2.822 1.00 0.00 C ATOM 2487 CE2 TYR A 172 -3.018 -11.118 2.239 1.00 0.00 C ATOM 2488 CZ TYR A 172 -3.992 -10.742 3.141 1.00 0.00 C ATOM 2489 OH TYR A 172 -4.070 -11.366 4.365 1.00 0.00 O ATOM 0 H TYR A 172 -4.557 -7.587 -2.983 1.00 0.00 H new ATOM 0 HA TYR A 172 -5.002 -10.217 -1.693 1.00 0.00 H new ATOM 0 HB2 TYR A 172 -2.815 -9.075 -1.161 1.00 0.00 H new ATOM 0 HB3 TYR A 172 -3.721 -7.716 -0.527 1.00 0.00 H new ATOM 0 HD1 TYR A 172 -5.513 -8.341 1.345 1.00 0.00 H new ATOM 0 HD2 TYR A 172 -2.180 -10.786 0.309 1.00 0.00 H new ATOM 0 HE1 TYR A 172 -5.650 -9.451 3.530 1.00 0.00 H new ATOM 0 HE2 TYR A 172 -2.317 -11.900 2.491 1.00 0.00 H new ATOM 0 HH TYR A 172 -3.367 -12.046 4.431 1.00 0.00 H new ATOM 2499 N GLU A 173 -7.166 -9.477 -0.784 1.00 0.00 N ATOM 2500 CA GLU A 173 -8.459 -9.080 -0.237 1.00 0.00 C ATOM 2501 C GLU A 173 -8.505 -9.309 1.271 1.00 0.00 C ATOM 2502 O GLU A 173 -8.461 -10.446 1.738 1.00 0.00 O ATOM 2503 CB GLU A 173 -9.586 -9.860 -0.917 1.00 0.00 C ATOM 2504 CG GLU A 173 -9.528 -9.816 -2.435 1.00 0.00 C ATOM 2505 CD GLU A 173 -8.670 -10.922 -3.018 1.00 0.00 C ATOM 2506 OE1 GLU A 173 -7.830 -11.474 -2.277 1.00 0.00 O ATOM 2507 OE2 GLU A 173 -8.839 -11.235 -4.215 1.00 0.00 O ATOM 0 H GLU A 173 -7.065 -10.479 -0.944 1.00 0.00 H new ATOM 0 HA GLU A 173 -8.595 -8.016 -0.430 1.00 0.00 H new ATOM 0 HB2 GLU A 173 -9.546 -10.899 -0.590 1.00 0.00 H new ATOM 0 HB3 GLU A 173 -10.544 -9.459 -0.587 1.00 0.00 H new ATOM 0 HG2 GLU A 173 -10.538 -9.895 -2.836 1.00 0.00 H new ATOM 0 HG3 GLU A 173 -9.134 -8.850 -2.752 1.00 0.00 H new ATOM 2514 N ASN A 174 -8.592 -8.219 2.026 1.00 0.00 N ATOM 2515 CA ASN A 174 -8.643 -8.300 3.482 1.00 0.00 C ATOM 2516 C ASN A 174 -9.764 -9.229 3.936 1.00 0.00 C ATOM 2517 O ASN A 174 -10.946 -8.976 3.706 1.00 0.00 O ATOM 2518 CB ASN A 174 -8.844 -6.908 4.084 1.00 0.00 C ATOM 2519 CG ASN A 174 -8.312 -6.808 5.500 1.00 0.00 C ATOM 2520 OD1 ASN A 174 -7.939 -7.812 6.107 1.00 0.00 O ATOM 2521 ND2 ASN A 174 -8.276 -5.593 6.034 1.00 0.00 N ATOM 0 H ASN A 174 -8.629 -7.270 1.655 1.00 0.00 H new ATOM 0 HA ASN A 174 -7.694 -8.707 3.832 1.00 0.00 H new ATOM 0 HB2 ASN A 174 -8.344 -6.169 3.458 1.00 0.00 H new ATOM 0 HB3 ASN A 174 -9.906 -6.663 4.080 1.00 0.00 H new ATOM 0 HD21 ASN A 174 -7.929 -5.464 6.984 1.00 0.00 H new ATOM 0 HD22 ASN A 174 -8.595 -4.789 5.494 1.00 0.00 H new