USER MOD reduce.3.24.130724 H: found=0, std=0, add=846, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 846 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 34 LYS NZ :NH3+ -160:sc= 0.91 (180deg=0.659) USER MOD Set 1.2: A 96 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 1.3: A 102 CYS SG : rot -149:sc= -3.68! USER MOD Set 2.1: A 65 LYS NZ :NH3+ 156:sc= 0.261 (180deg=0) USER MOD Set 2.2: A 68 SER OG : rot 35:sc= 1.21 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 THR OG1 : rot -36:sc= 0.281 USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 55 HIS : no HD1:sc= -1.04 X(o=-1,f=-1.5) USER MOD Single : A 56 TYR OH : rot 56:sc= 1.24 USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 179:sc= 1.2 USER MOD Single : A 73 LYS NZ :NH3+ 148:sc= 0.24 (180deg=0.00194) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 LYS NZ :NH3+ -163:sc= 0.00162 (180deg=0) USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 THR OG1 : rot 180:sc= 0 USER MOD Single : A 106 CYS SG : rot 180:sc= -2.93! USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 TYR OH : rot 180:sc= 0 USER MOD Single : A 112 TYR OH : rot 180:sc= 0 USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD Single : A 117 SER OG : rot 121:sc= 0.116 USER MOD Single : A 120 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 124 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 126 THR OG1 : rot 180:sc= 0 USER MOD Single : A 137 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 148 N GLY A 31 -1.715 11.802 7.377 1.00 0.00 N ATOM 149 CA GLY A 31 -0.481 11.166 6.865 1.00 0.00 C ATOM 150 C GLY A 31 -0.588 10.284 5.613 1.00 0.00 C ATOM 151 O GLY A 31 0.417 10.149 4.913 1.00 0.00 O ATOM 0 HA2 GLY A 31 0.239 11.957 6.655 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -0.062 10.558 7.667 1.00 0.00 H new ATOM 155 N VAL A 32 -1.759 9.691 5.314 1.00 0.00 N ATOM 156 CA VAL A 32 -1.915 8.696 4.199 1.00 0.00 C ATOM 157 C VAL A 32 -3.377 8.132 4.110 1.00 0.00 C ATOM 158 O VAL A 32 -4.202 8.321 5.003 1.00 0.00 O ATOM 159 CB VAL A 32 -0.949 7.440 4.460 1.00 0.00 C ATOM 160 CG1 VAL A 32 -1.414 6.478 5.579 1.00 0.00 C ATOM 161 CG2 VAL A 32 -0.582 6.533 3.259 1.00 0.00 C ATOM 0 H VAL A 32 -2.624 9.875 5.823 1.00 0.00 H new ATOM 0 HA VAL A 32 -1.669 9.218 3.275 1.00 0.00 H new ATOM 0 HB VAL A 32 -0.063 8.006 4.746 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -0.697 5.663 5.679 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -1.480 7.021 6.522 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -2.393 6.071 5.325 1.00 0.00 H new ATOM 0 HG21 VAL A 32 0.075 5.731 3.596 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -1.490 6.104 2.836 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -0.072 7.125 2.499 1.00 0.00 H new ATOM 171 N LEU A 33 -3.659 7.431 3.008 1.00 0.00 N ATOM 172 CA LEU A 33 -4.772 6.423 2.923 1.00 0.00 C ATOM 173 C LEU A 33 -4.648 5.498 1.667 1.00 0.00 C ATOM 174 O LEU A 33 -3.562 5.442 1.066 1.00 0.00 O ATOM 175 CB LEU A 33 -6.177 6.675 3.575 1.00 0.00 C ATOM 176 CG LEU A 33 -6.584 5.675 4.701 1.00 0.00 C ATOM 177 CD1 LEU A 33 -5.741 5.789 5.986 1.00 0.00 C ATOM 178 CD2 LEU A 33 -8.058 5.821 5.096 1.00 0.00 C ATOM 0 H LEU A 33 -3.135 7.531 2.139 1.00 0.00 H new ATOM 0 HA LEU A 33 -4.572 5.794 3.791 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -6.191 7.684 3.987 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -6.934 6.640 2.791 1.00 0.00 H new ATOM 0 HG LEU A 33 -6.399 4.698 4.255 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -6.090 5.059 6.716 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -4.694 5.597 5.752 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -5.842 6.792 6.400 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -8.296 5.105 5.883 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -8.239 6.833 5.459 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -8.688 5.629 4.228 1.00 0.00 H new ATOM 190 N LYS A 34 -5.676 4.701 1.304 1.00 0.00 N ATOM 191 CA LYS A 34 -5.533 3.743 0.174 1.00 0.00 C ATOM 192 C LYS A 34 -6.772 3.687 -0.763 1.00 0.00 C ATOM 193 O LYS A 34 -7.917 3.523 -0.330 1.00 0.00 O ATOM 194 CB LYS A 34 -5.085 2.343 0.684 1.00 0.00 C ATOM 195 CG LYS A 34 -6.076 1.572 1.584 1.00 0.00 C ATOM 196 CD LYS A 34 -5.596 0.150 1.938 1.00 0.00 C ATOM 197 CE LYS A 34 -6.534 -0.591 2.903 1.00 0.00 C ATOM 198 NZ LYS A 34 -7.806 -0.962 2.253 1.00 0.00 N ATOM 0 H LYS A 34 -6.590 4.696 1.758 1.00 0.00 H new ATOM 0 HA LYS A 34 -4.737 4.127 -0.463 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -4.863 1.722 -0.184 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -4.153 2.466 1.235 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -6.234 2.135 2.504 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -7.040 1.508 1.080 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -5.499 -0.431 1.021 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -4.603 0.211 2.384 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -6.039 -1.489 3.273 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -6.738 0.040 3.768 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -8.528 -1.143 2.980 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -8.121 -0.185 1.638 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -7.667 -1.820 1.683 1.00 0.00 H new ATOM 211 N VAL A 35 -6.505 3.789 -2.071 1.00 0.00 N ATOM 212 CA VAL A 35 -7.574 3.726 -3.122 1.00 0.00 C ATOM 213 C VAL A 35 -7.843 2.214 -3.419 1.00 0.00 C ATOM 214 O VAL A 35 -6.945 1.506 -3.876 1.00 0.00 O ATOM 215 CB VAL A 35 -7.211 4.585 -4.382 1.00 0.00 C ATOM 216 CG1 VAL A 35 -8.145 4.370 -5.587 1.00 0.00 C ATOM 217 CG2 VAL A 35 -7.149 6.100 -4.080 1.00 0.00 C ATOM 0 H VAL A 35 -5.564 3.916 -2.444 1.00 0.00 H new ATOM 0 HA VAL A 35 -8.501 4.178 -2.770 1.00 0.00 H new ATOM 0 HB VAL A 35 -6.219 4.222 -4.651 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -7.823 5.002 -6.414 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -8.109 3.325 -5.893 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -9.166 4.631 -5.307 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -6.893 6.642 -4.990 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -8.119 6.438 -3.716 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -6.391 6.289 -3.320 1.00 0.00 H new ATOM 227 N ILE A 36 -9.070 1.724 -3.175 1.00 0.00 N ATOM 228 CA ILE A 36 -9.391 0.271 -3.352 1.00 0.00 C ATOM 229 C ILE A 36 -9.677 -0.110 -4.846 1.00 0.00 C ATOM 230 O ILE A 36 -10.326 0.624 -5.596 1.00 0.00 O ATOM 231 CB ILE A 36 -10.489 -0.220 -2.312 1.00 0.00 C ATOM 232 CG1 ILE A 36 -9.980 -1.335 -1.357 1.00 0.00 C ATOM 233 CG2 ILE A 36 -11.846 -0.674 -2.915 1.00 0.00 C ATOM 234 CD1 ILE A 36 -9.757 -2.728 -1.975 1.00 0.00 C ATOM 0 H ILE A 36 -9.856 2.292 -2.858 1.00 0.00 H new ATOM 0 HA ILE A 36 -8.494 -0.298 -3.106 1.00 0.00 H new ATOM 0 HB ILE A 36 -10.677 0.696 -1.753 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -9.039 -1.003 -0.918 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -10.695 -1.436 -0.540 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -12.514 -0.987 -2.113 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -12.297 0.155 -3.461 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -11.681 -1.509 -3.595 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -9.402 -3.415 -1.206 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -10.696 -3.098 -2.387 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -9.015 -2.659 -2.770 1.00 0.00 H new ATOM 246 N LYS A 37 -9.232 -1.309 -5.228 1.00 0.00 N ATOM 247 CA LYS A 37 -9.451 -1.874 -6.589 1.00 0.00 C ATOM 248 C LYS A 37 -10.086 -3.311 -6.535 1.00 0.00 C ATOM 249 O LYS A 37 -11.224 -3.510 -6.963 1.00 0.00 O ATOM 250 CB LYS A 37 -8.117 -1.756 -7.383 1.00 0.00 C ATOM 251 CG LYS A 37 -8.252 -1.991 -8.903 1.00 0.00 C ATOM 252 CD LYS A 37 -8.842 -0.769 -9.645 1.00 0.00 C ATOM 253 CE LYS A 37 -9.093 -1.028 -11.136 1.00 0.00 C ATOM 254 NZ LYS A 37 -9.716 0.164 -11.752 1.00 0.00 N ATOM 0 H LYS A 37 -8.707 -1.928 -4.611 1.00 0.00 H new ATOM 0 HA LYS A 37 -10.200 -1.301 -7.136 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -7.697 -0.764 -7.218 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -7.404 -2.475 -6.979 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -7.272 -2.225 -9.319 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -8.888 -2.859 -9.077 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -9.780 -0.482 -9.170 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -8.161 0.075 -9.540 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -8.153 -1.259 -11.638 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -9.742 -1.895 -11.260 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -9.885 -0.015 -12.762 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -10.621 0.366 -11.281 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -9.081 0.981 -11.647 1.00 0.00 H new ATOM 267 N ARG A 38 -9.347 -4.302 -6.018 1.00 0.00 N ATOM 268 CA ARG A 38 -9.810 -5.708 -5.864 1.00 0.00 C ATOM 269 C ARG A 38 -9.961 -5.991 -4.311 1.00 0.00 C ATOM 270 O ARG A 38 -8.980 -6.366 -3.674 1.00 0.00 O ATOM 271 CB ARG A 38 -8.780 -6.628 -6.579 1.00 0.00 C ATOM 272 CG ARG A 38 -9.239 -8.097 -6.767 1.00 0.00 C ATOM 273 CD ARG A 38 -8.260 -8.951 -7.595 1.00 0.00 C ATOM 274 NE ARG A 38 -7.035 -9.252 -6.810 1.00 0.00 N ATOM 275 CZ ARG A 38 -5.988 -9.941 -7.247 1.00 0.00 C ATOM 276 NH1 ARG A 38 -5.877 -10.426 -8.448 1.00 0.00 N ATOM 277 NH2 ARG A 38 -5.021 -10.143 -6.426 1.00 0.00 N ATOM 0 H ARG A 38 -8.393 -4.158 -5.686 1.00 0.00 H new ATOM 0 HA ARG A 38 -10.779 -5.901 -6.323 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -8.554 -6.205 -7.558 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -7.852 -6.623 -6.008 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -9.368 -8.556 -5.787 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -10.214 -8.104 -7.253 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -8.744 -9.881 -7.895 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -7.992 -8.422 -8.510 1.00 0.00 H new ATOM 0 HE ARG A 38 -6.995 -8.899 -5.854 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -6.626 -10.286 -9.126 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -5.041 -10.946 -8.713 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -5.075 -9.778 -5.475 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -4.199 -10.668 -6.725 1.00 0.00 H new ATOM 290 N GLU A 39 -11.137 -5.759 -3.687 1.00 0.00 N ATOM 291 CA GLU A 39 -11.431 -5.999 -2.206 1.00 0.00 C ATOM 292 C GLU A 39 -10.594 -6.989 -1.309 1.00 0.00 C ATOM 293 O GLU A 39 -10.202 -6.624 -0.199 1.00 0.00 O ATOM 294 CB GLU A 39 -12.932 -6.396 -2.056 1.00 0.00 C ATOM 295 CG GLU A 39 -13.956 -5.390 -2.616 1.00 0.00 C ATOM 296 CD GLU A 39 -15.414 -5.693 -2.282 1.00 0.00 C ATOM 297 OE1 GLU A 39 -16.097 -5.016 -1.525 1.00 0.00 O ATOM 298 OE2 GLU A 39 -15.881 -6.787 -2.942 1.00 0.00 O ATOM 0 H GLU A 39 -11.946 -5.390 -4.188 1.00 0.00 H new ATOM 0 HA GLU A 39 -11.114 -5.037 -1.803 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -13.085 -7.354 -2.552 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -13.143 -6.548 -0.997 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -13.712 -4.398 -2.236 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -13.849 -5.352 -3.700 1.00 0.00 H new ATOM 306 N GLY A 40 -10.400 -8.244 -1.726 1.00 0.00 N ATOM 307 CA GLY A 40 -9.654 -9.259 -0.945 1.00 0.00 C ATOM 308 C GLY A 40 -9.939 -10.731 -1.303 1.00 0.00 C ATOM 309 O GLY A 40 -10.083 -11.077 -2.478 1.00 0.00 O ATOM 0 H GLY A 40 -10.754 -8.594 -2.616 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -8.587 -9.075 -1.073 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -9.879 -9.113 0.112 1.00 0.00 H new ATOM 313 N THR A 41 -9.965 -11.613 -0.287 1.00 0.00 N ATOM 314 CA THR A 41 -10.261 -13.072 -0.505 1.00 0.00 C ATOM 315 C THR A 41 -11.125 -13.760 0.605 1.00 0.00 C ATOM 316 O THR A 41 -12.147 -14.374 0.286 1.00 0.00 O ATOM 317 CB THR A 41 -8.954 -13.844 -0.852 1.00 0.00 C ATOM 318 OG1 THR A 41 -9.205 -15.212 -1.138 1.00 0.00 O ATOM 319 CG2 THR A 41 -7.856 -13.803 0.209 1.00 0.00 C ATOM 0 H THR A 41 -9.789 -11.362 0.686 1.00 0.00 H new ATOM 0 HA THR A 41 -10.924 -13.119 -1.369 1.00 0.00 H new ATOM 0 HB THR A 41 -8.591 -13.305 -1.727 1.00 0.00 H new ATOM 0 HG1 THR A 41 -8.361 -15.662 -1.352 1.00 0.00 H new ATOM 0 HG21 THR A 41 -6.994 -14.372 -0.138 1.00 0.00 H new ATOM 0 HG22 THR A 41 -7.560 -12.769 0.387 1.00 0.00 H new ATOM 0 HG23 THR A 41 -8.229 -14.238 1.136 1.00 0.00 H new ATOM 327 N GLY A 42 -10.743 -13.685 1.892 1.00 0.00 N ATOM 328 CA GLY A 42 -11.502 -14.353 2.974 1.00 0.00 C ATOM 329 C GLY A 42 -10.975 -14.365 4.421 1.00 0.00 C ATOM 330 O GLY A 42 -11.707 -14.011 5.344 1.00 0.00 O ATOM 0 H GLY A 42 -9.920 -13.174 2.211 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -12.492 -13.897 2.998 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -11.637 -15.392 2.675 1.00 0.00 H new ATOM 334 N THR A 43 -9.720 -14.782 4.628 1.00 0.00 N ATOM 335 CA THR A 43 -9.123 -14.909 6.000 1.00 0.00 C ATOM 336 C THR A 43 -8.480 -13.626 6.640 1.00 0.00 C ATOM 337 O THR A 43 -7.404 -13.652 7.242 1.00 0.00 O ATOM 338 CB THR A 43 -8.314 -16.228 6.196 1.00 0.00 C ATOM 339 OG1 THR A 43 -7.690 -16.511 7.440 1.00 0.00 O ATOM 340 CG2 THR A 43 -7.140 -16.494 5.230 1.00 0.00 C ATOM 0 H THR A 43 -9.083 -15.042 3.875 1.00 0.00 H new ATOM 0 HA THR A 43 -10.005 -15.001 6.633 1.00 0.00 H new ATOM 0 HB THR A 43 -9.199 -16.844 6.034 1.00 0.00 H new ATOM 0 HG1 THR A 43 -7.348 -15.680 7.831 1.00 0.00 H new ATOM 0 HG21 THR A 43 -6.669 -17.444 5.483 1.00 0.00 H new ATOM 0 HG22 THR A 43 -7.513 -16.534 4.207 1.00 0.00 H new ATOM 0 HG23 THR A 43 -6.408 -15.691 5.318 1.00 0.00 H new ATOM 348 N GLU A 44 -9.224 -12.514 6.547 1.00 0.00 N ATOM 349 CA GLU A 44 -8.966 -11.239 7.275 1.00 0.00 C ATOM 350 C GLU A 44 -7.750 -10.275 6.963 1.00 0.00 C ATOM 351 O GLU A 44 -7.078 -10.332 5.923 1.00 0.00 O ATOM 352 CB GLU A 44 -9.327 -11.535 8.785 1.00 0.00 C ATOM 353 CG GLU A 44 -10.838 -11.342 9.034 1.00 0.00 C ATOM 354 CD GLU A 44 -11.260 -11.391 10.497 1.00 0.00 C ATOM 355 OE1 GLU A 44 -11.298 -10.410 11.230 1.00 0.00 O ATOM 356 OE2 GLU A 44 -11.593 -12.646 10.899 1.00 0.00 O ATOM 0 H GLU A 44 -10.049 -12.464 5.949 1.00 0.00 H new ATOM 0 HA GLU A 44 -9.602 -10.487 6.807 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -9.039 -12.555 9.039 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -8.759 -10.871 9.437 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -11.140 -10.382 8.616 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -11.382 -12.113 8.488 1.00 0.00 H new ATOM 364 N THR A 45 -7.636 -9.269 7.854 1.00 0.00 N ATOM 365 CA THR A 45 -6.630 -8.168 7.838 1.00 0.00 C ATOM 366 C THR A 45 -5.315 -8.437 8.666 1.00 0.00 C ATOM 367 O THR A 45 -5.400 -9.140 9.681 1.00 0.00 O ATOM 368 CB THR A 45 -7.297 -6.846 8.354 1.00 0.00 C ATOM 369 OG1 THR A 45 -7.703 -6.978 9.715 1.00 0.00 O ATOM 370 CG2 THR A 45 -8.527 -6.339 7.579 1.00 0.00 C ATOM 0 H THR A 45 -8.272 -9.191 8.648 1.00 0.00 H new ATOM 0 HA THR A 45 -6.310 -8.089 6.799 1.00 0.00 H new ATOM 0 HB THR A 45 -6.503 -6.114 8.207 1.00 0.00 H new ATOM 0 HG1 THR A 45 -8.115 -6.141 10.016 1.00 0.00 H new ATOM 0 HG21 THR A 45 -8.892 -5.420 8.037 1.00 0.00 H new ATOM 0 HG22 THR A 45 -8.249 -6.143 6.543 1.00 0.00 H new ATOM 0 HG23 THR A 45 -9.312 -7.095 7.607 1.00 0.00 H new ATOM 378 N PRO A 46 -4.108 -7.866 8.349 1.00 0.00 N ATOM 379 CA PRO A 46 -2.866 -8.129 9.129 1.00 0.00 C ATOM 380 C PRO A 46 -2.833 -7.625 10.623 1.00 0.00 C ATOM 381 O PRO A 46 -3.404 -6.572 10.925 1.00 0.00 O ATOM 382 CB PRO A 46 -1.781 -7.381 8.327 1.00 0.00 C ATOM 383 CG PRO A 46 -2.332 -7.282 6.916 1.00 0.00 C ATOM 384 CD PRO A 46 -3.840 -7.130 7.094 1.00 0.00 C ATOM 0 HA PRO A 46 -2.746 -9.207 9.235 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -1.591 -6.393 8.747 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -0.835 -7.922 8.344 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -1.909 -6.429 6.385 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -2.090 -8.171 6.334 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -4.133 -6.083 7.171 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -4.389 -7.554 6.253 1.00 0.00 H new ATOM 392 N MET A 47 -2.137 -8.310 11.560 1.00 0.00 N ATOM 393 CA MET A 47 -1.999 -7.844 12.968 1.00 0.00 C ATOM 394 C MET A 47 -0.568 -7.246 13.193 1.00 0.00 C ATOM 395 O MET A 47 0.399 -7.623 12.514 1.00 0.00 O ATOM 396 CB MET A 47 -2.343 -9.022 13.924 1.00 0.00 C ATOM 397 CG MET A 47 -1.470 -10.291 13.797 1.00 0.00 C ATOM 398 SD MET A 47 -1.780 -11.438 15.156 1.00 0.00 S ATOM 399 CE MET A 47 -3.158 -12.378 14.476 1.00 0.00 C ATOM 0 H MET A 47 -1.659 -9.191 11.369 1.00 0.00 H new ATOM 0 HA MET A 47 -2.700 -7.039 13.187 1.00 0.00 H new ATOM 0 HB2 MET A 47 -2.272 -8.661 14.950 1.00 0.00 H new ATOM 0 HB3 MET A 47 -3.382 -9.305 13.757 1.00 0.00 H new ATOM 0 HG2 MET A 47 -1.677 -10.784 12.847 1.00 0.00 H new ATOM 0 HG3 MET A 47 -0.417 -10.011 13.787 1.00 0.00 H new ATOM 0 HE1 MET A 47 -3.473 -13.134 15.195 1.00 0.00 H new ATOM 0 HE2 MET A 47 -3.990 -11.705 14.269 1.00 0.00 H new ATOM 0 HE3 MET A 47 -2.846 -12.864 13.552 1.00 0.00 H new ATOM 409 N ILE A 48 -0.398 -6.317 14.158 1.00 0.00 N ATOM 410 CA ILE A 48 0.929 -5.676 14.417 1.00 0.00 C ATOM 411 C ILE A 48 2.043 -6.727 14.778 1.00 0.00 C ATOM 412 O ILE A 48 1.858 -7.635 15.594 1.00 0.00 O ATOM 413 CB ILE A 48 0.841 -4.387 15.320 1.00 0.00 C ATOM 414 CG1 ILE A 48 1.388 -3.112 14.608 1.00 0.00 C ATOM 415 CG2 ILE A 48 1.471 -4.509 16.729 1.00 0.00 C ATOM 416 CD1 ILE A 48 2.882 -3.050 14.233 1.00 0.00 C ATOM 0 H ILE A 48 -1.147 -5.991 14.769 1.00 0.00 H new ATOM 0 HA ILE A 48 1.281 -5.258 13.474 1.00 0.00 H new ATOM 0 HB ILE A 48 -0.233 -4.283 15.478 1.00 0.00 H new ATOM 0 HG12 ILE A 48 0.813 -2.974 13.693 1.00 0.00 H new ATOM 0 HG13 ILE A 48 1.174 -2.258 15.251 1.00 0.00 H new ATOM 0 HG21 ILE A 48 1.354 -3.566 17.263 1.00 0.00 H new ATOM 0 HG22 ILE A 48 0.972 -5.304 17.283 1.00 0.00 H new ATOM 0 HG23 ILE A 48 2.531 -4.743 16.634 1.00 0.00 H new ATOM 0 HD11 ILE A 48 3.096 -2.098 13.747 1.00 0.00 H new ATOM 0 HD12 ILE A 48 3.488 -3.141 15.135 1.00 0.00 H new ATOM 0 HD13 ILE A 48 3.120 -3.867 13.552 1.00 0.00 H new ATOM 428 N GLY A 49 3.183 -6.584 14.106 1.00 0.00 N ATOM 429 CA GLY A 49 4.307 -7.554 14.220 1.00 0.00 C ATOM 430 C GLY A 49 4.283 -8.835 13.333 1.00 0.00 C ATOM 431 O GLY A 49 5.176 -9.669 13.503 1.00 0.00 O ATOM 0 H GLY A 49 3.368 -5.808 13.471 1.00 0.00 H new ATOM 0 HA2 GLY A 49 5.230 -7.017 14.001 1.00 0.00 H new ATOM 0 HA3 GLY A 49 4.364 -7.874 15.261 1.00 0.00 H new ATOM 435 N ASP A 50 3.352 -9.013 12.373 1.00 0.00 N ATOM 436 CA ASP A 50 3.260 -10.242 11.536 1.00 0.00 C ATOM 437 C ASP A 50 4.134 -10.204 10.232 1.00 0.00 C ATOM 438 O ASP A 50 4.428 -9.121 9.713 1.00 0.00 O ATOM 439 CB ASP A 50 1.734 -10.465 11.317 1.00 0.00 C ATOM 440 CG ASP A 50 0.950 -9.698 10.248 1.00 0.00 C ATOM 441 OD1 ASP A 50 -0.100 -10.111 9.770 1.00 0.00 O ATOM 442 OD2 ASP A 50 1.503 -8.503 9.915 1.00 0.00 O ATOM 0 H ASP A 50 2.642 -8.315 12.151 1.00 0.00 H new ATOM 0 HA ASP A 50 3.701 -11.104 12.036 1.00 0.00 H new ATOM 0 HB2 ASP A 50 1.598 -11.526 11.107 1.00 0.00 H new ATOM 0 HB3 ASP A 50 1.246 -10.263 12.271 1.00 0.00 H new ATOM 448 N ARG A 51 4.550 -11.366 9.679 1.00 0.00 N ATOM 449 CA ARG A 51 5.371 -11.387 8.425 1.00 0.00 C ATOM 450 C ARG A 51 4.442 -11.203 7.193 1.00 0.00 C ATOM 451 O ARG A 51 3.345 -11.755 7.162 1.00 0.00 O ATOM 452 CB ARG A 51 6.264 -12.654 8.400 1.00 0.00 C ATOM 453 CG ARG A 51 7.359 -12.622 7.304 1.00 0.00 C ATOM 454 CD ARG A 51 8.289 -13.841 7.351 1.00 0.00 C ATOM 455 NE ARG A 51 9.290 -13.694 6.264 1.00 0.00 N ATOM 456 CZ ARG A 51 10.149 -14.621 5.868 1.00 0.00 C ATOM 457 NH1 ARG A 51 10.249 -15.803 6.399 1.00 0.00 N ATOM 458 NH2 ARG A 51 10.928 -14.323 4.890 1.00 0.00 N ATOM 0 H ARG A 51 4.342 -12.288 10.063 1.00 0.00 H new ATOM 0 HA ARG A 51 6.068 -10.549 8.391 1.00 0.00 H new ATOM 0 HB2 ARG A 51 6.740 -12.772 9.374 1.00 0.00 H new ATOM 0 HB3 ARG A 51 5.633 -13.529 8.246 1.00 0.00 H new ATOM 0 HG2 ARG A 51 6.884 -12.572 6.324 1.00 0.00 H new ATOM 0 HG3 ARG A 51 7.952 -11.715 7.417 1.00 0.00 H new ATOM 0 HD2 ARG A 51 8.785 -13.906 8.320 1.00 0.00 H new ATOM 0 HD3 ARG A 51 7.719 -14.761 7.223 1.00 0.00 H new ATOM 0 HE ARG A 51 9.319 -12.798 5.778 1.00 0.00 H new ATOM 0 HH11 ARG A 51 9.641 -16.067 7.174 1.00 0.00 H new ATOM 0 HH12 ARG A 51 10.936 -16.467 6.041 1.00 0.00 H new ATOM 0 HH21 ARG A 51 10.869 -13.403 4.453 1.00 0.00 H new ATOM 0 HH22 ARG A 51 11.606 -15.006 4.551 1.00 0.00 H new ATOM 471 N VAL A 52 4.873 -10.418 6.201 1.00 0.00 N ATOM 472 CA VAL A 52 4.023 -9.946 5.087 1.00 0.00 C ATOM 473 C VAL A 52 4.733 -10.149 3.707 1.00 0.00 C ATOM 474 O VAL A 52 5.925 -9.857 3.555 1.00 0.00 O ATOM 475 CB VAL A 52 3.814 -8.440 5.539 1.00 0.00 C ATOM 476 CG1 VAL A 52 3.750 -7.400 4.426 1.00 0.00 C ATOM 477 CG2 VAL A 52 2.621 -8.291 6.506 1.00 0.00 C ATOM 0 H VAL A 52 5.835 -10.084 6.142 1.00 0.00 H new ATOM 0 HA VAL A 52 3.082 -10.471 4.923 1.00 0.00 H new ATOM 0 HB VAL A 52 4.740 -8.209 6.065 1.00 0.00 H new ATOM 0 HG11 VAL A 52 3.605 -6.411 4.860 1.00 0.00 H new ATOM 0 HG12 VAL A 52 4.681 -7.415 3.860 1.00 0.00 H new ATOM 0 HG13 VAL A 52 2.918 -7.630 3.761 1.00 0.00 H new ATOM 0 HG21 VAL A 52 2.512 -7.245 6.791 1.00 0.00 H new ATOM 0 HG22 VAL A 52 1.709 -8.629 6.014 1.00 0.00 H new ATOM 0 HG23 VAL A 52 2.797 -8.894 7.397 1.00 0.00 H new ATOM 487 N PHE A 53 3.975 -10.552 2.671 1.00 0.00 N ATOM 488 CA PHE A 53 4.522 -10.826 1.323 1.00 0.00 C ATOM 489 C PHE A 53 3.714 -9.968 0.288 1.00 0.00 C ATOM 490 O PHE A 53 2.525 -10.191 0.037 1.00 0.00 O ATOM 491 CB PHE A 53 4.449 -12.358 1.098 1.00 0.00 C ATOM 492 CG PHE A 53 5.285 -13.242 2.049 1.00 0.00 C ATOM 493 CD1 PHE A 53 6.650 -13.433 1.821 1.00 0.00 C ATOM 494 CD2 PHE A 53 4.696 -13.795 3.194 1.00 0.00 C ATOM 495 CE1 PHE A 53 7.416 -14.169 2.723 1.00 0.00 C ATOM 496 CE2 PHE A 53 5.463 -14.530 4.094 1.00 0.00 C ATOM 497 CZ PHE A 53 6.821 -14.720 3.855 1.00 0.00 C ATOM 0 H PHE A 53 2.968 -10.698 2.741 1.00 0.00 H new ATOM 0 HA PHE A 53 5.567 -10.539 1.205 1.00 0.00 H new ATOM 0 HB2 PHE A 53 3.406 -12.664 1.179 1.00 0.00 H new ATOM 0 HB3 PHE A 53 4.764 -12.567 0.076 1.00 0.00 H new ATOM 0 HD1 PHE A 53 7.113 -13.009 0.943 1.00 0.00 H new ATOM 0 HD2 PHE A 53 3.642 -13.650 3.379 1.00 0.00 H new ATOM 0 HE1 PHE A 53 8.471 -14.312 2.544 1.00 0.00 H new ATOM 0 HE2 PHE A 53 5.005 -14.952 4.976 1.00 0.00 H new ATOM 0 HZ PHE A 53 7.415 -15.296 4.549 1.00 0.00 H new ATOM 507 N VAL A 54 4.385 -8.967 -0.291 1.00 0.00 N ATOM 508 CA VAL A 54 3.781 -7.947 -1.209 1.00 0.00 C ATOM 509 C VAL A 54 4.405 -7.902 -2.639 1.00 0.00 C ATOM 510 O VAL A 54 5.473 -8.445 -2.932 1.00 0.00 O ATOM 511 CB VAL A 54 3.956 -6.499 -0.559 1.00 0.00 C ATOM 512 CG1 VAL A 54 2.947 -6.228 0.543 1.00 0.00 C ATOM 513 CG2 VAL A 54 5.389 -6.124 -0.160 1.00 0.00 C ATOM 0 H VAL A 54 5.384 -8.824 -0.143 1.00 0.00 H new ATOM 0 HA VAL A 54 2.738 -8.239 -1.327 1.00 0.00 H new ATOM 0 HB VAL A 54 3.730 -5.815 -1.377 1.00 0.00 H new ATOM 0 HG11 VAL A 54 3.112 -5.230 0.950 1.00 0.00 H new ATOM 0 HG12 VAL A 54 1.938 -6.292 0.136 1.00 0.00 H new ATOM 0 HG13 VAL A 54 3.066 -6.967 1.335 1.00 0.00 H new ATOM 0 HG21 VAL A 54 5.397 -5.123 0.271 1.00 0.00 H new ATOM 0 HG22 VAL A 54 5.761 -6.838 0.575 1.00 0.00 H new ATOM 0 HG23 VAL A 54 6.029 -6.145 -1.042 1.00 0.00 H new ATOM 523 N HIS A 55 3.702 -7.194 -3.532 1.00 0.00 N ATOM 524 CA HIS A 55 4.291 -6.792 -4.856 1.00 0.00 C ATOM 525 C HIS A 55 4.039 -5.264 -5.027 1.00 0.00 C ATOM 526 O HIS A 55 2.878 -4.863 -5.160 1.00 0.00 O ATOM 527 CB HIS A 55 3.878 -7.616 -6.140 1.00 0.00 C ATOM 528 CG HIS A 55 4.891 -8.603 -6.722 1.00 0.00 C ATOM 529 ND1 HIS A 55 6.265 -8.421 -6.702 1.00 0.00 N ATOM 530 CD2 HIS A 55 4.551 -9.551 -7.704 1.00 0.00 C ATOM 531 CE1 HIS A 55 6.635 -9.329 -7.665 1.00 0.00 C ATOM 532 NE2 HIS A 55 5.684 -10.071 -8.301 1.00 0.00 N ATOM 0 H HIS A 55 2.742 -6.883 -3.385 1.00 0.00 H new ATOM 0 HA HIS A 55 5.351 -7.042 -4.802 1.00 0.00 H new ATOM 0 HB2 HIS A 55 2.971 -8.172 -5.902 1.00 0.00 H new ATOM 0 HB3 HIS A 55 3.619 -6.904 -6.924 1.00 0.00 H new ATOM 0 HD2 HIS A 55 3.540 -9.835 -7.958 1.00 0.00 H new ATOM 0 HE1 HIS A 55 7.677 -9.455 -7.918 1.00 0.00 H new ATOM 0 HE2 HIS A 55 5.781 -10.798 -9.010 1.00 0.00 H new ATOM 540 N TYR A 56 5.092 -4.407 -4.989 1.00 0.00 N ATOM 541 CA TYR A 56 4.908 -2.929 -5.119 1.00 0.00 C ATOM 542 C TYR A 56 5.506 -2.267 -6.417 1.00 0.00 C ATOM 543 O TYR A 56 6.574 -2.642 -6.914 1.00 0.00 O ATOM 544 CB TYR A 56 5.341 -2.067 -3.886 1.00 0.00 C ATOM 545 CG TYR A 56 6.817 -1.692 -3.755 1.00 0.00 C ATOM 546 CD1 TYR A 56 7.766 -2.634 -3.389 1.00 0.00 C ATOM 547 CD2 TYR A 56 7.222 -0.395 -4.069 1.00 0.00 C ATOM 548 CE1 TYR A 56 9.102 -2.265 -3.257 1.00 0.00 C ATOM 549 CE2 TYR A 56 8.546 -0.012 -3.885 1.00 0.00 C ATOM 550 CZ TYR A 56 9.482 -0.943 -3.459 1.00 0.00 C ATOM 551 OH TYR A 56 10.780 -0.564 -3.278 1.00 0.00 O ATOM 0 H TYR A 56 6.061 -4.702 -4.872 1.00 0.00 H new ATOM 0 HA TYR A 56 3.821 -2.904 -5.189 1.00 0.00 H new ATOM 0 HB2 TYR A 56 4.762 -1.143 -3.905 1.00 0.00 H new ATOM 0 HB3 TYR A 56 5.052 -2.606 -2.984 1.00 0.00 H new ATOM 0 HD1 TYR A 56 7.468 -3.656 -3.206 1.00 0.00 H new ATOM 0 HD2 TYR A 56 6.505 0.314 -4.456 1.00 0.00 H new ATOM 0 HE1 TYR A 56 9.844 -3.006 -2.998 1.00 0.00 H new ATOM 0 HE2 TYR A 56 8.845 1.009 -4.073 1.00 0.00 H new ATOM 0 HH TYR A 56 11.363 -1.112 -3.844 1.00 0.00 H new ATOM 561 N THR A 57 4.832 -1.199 -6.855 1.00 0.00 N ATOM 562 CA THR A 57 5.391 -0.208 -7.835 1.00 0.00 C ATOM 563 C THR A 57 5.365 1.146 -7.059 1.00 0.00 C ATOM 564 O THR A 57 4.385 1.422 -6.362 1.00 0.00 O ATOM 565 CB THR A 57 4.641 -0.037 -9.188 1.00 0.00 C ATOM 566 OG1 THR A 57 4.506 -1.288 -9.848 1.00 0.00 O ATOM 567 CG2 THR A 57 5.415 0.881 -10.157 1.00 0.00 C ATOM 0 H THR A 57 3.883 -0.980 -6.552 1.00 0.00 H new ATOM 0 HA THR A 57 6.371 -0.565 -8.151 1.00 0.00 H new ATOM 0 HB THR A 57 3.670 0.395 -8.944 1.00 0.00 H new ATOM 0 HG1 THR A 57 4.031 -1.161 -10.696 1.00 0.00 H new ATOM 0 HG21 THR A 57 4.860 0.976 -11.090 1.00 0.00 H new ATOM 0 HG22 THR A 57 5.537 1.866 -9.706 1.00 0.00 H new ATOM 0 HG23 THR A 57 6.396 0.451 -10.361 1.00 0.00 H new ATOM 575 N GLY A 58 6.377 2.018 -7.158 1.00 0.00 N ATOM 576 CA GLY A 58 6.356 3.296 -6.414 1.00 0.00 C ATOM 577 C GLY A 58 7.069 4.483 -7.097 1.00 0.00 C ATOM 578 O GLY A 58 8.095 4.368 -7.773 1.00 0.00 O ATOM 0 H GLY A 58 7.207 1.872 -7.732 1.00 0.00 H new ATOM 0 HA2 GLY A 58 5.317 3.574 -6.236 1.00 0.00 H new ATOM 0 HA3 GLY A 58 6.814 3.134 -5.438 1.00 0.00 H new ATOM 582 N TRP A 59 6.436 5.638 -6.894 1.00 0.00 N ATOM 583 CA TRP A 59 6.815 6.936 -7.486 1.00 0.00 C ATOM 584 C TRP A 59 6.848 8.105 -6.463 1.00 0.00 C ATOM 585 O TRP A 59 6.153 8.138 -5.441 1.00 0.00 O ATOM 586 CB TRP A 59 5.923 7.425 -8.689 1.00 0.00 C ATOM 587 CG TRP A 59 5.321 6.422 -9.683 1.00 0.00 C ATOM 588 CD1 TRP A 59 5.715 6.348 -11.030 1.00 0.00 C ATOM 589 CD2 TRP A 59 4.391 5.405 -9.513 1.00 0.00 C ATOM 590 NE1 TRP A 59 5.154 5.242 -11.686 1.00 0.00 N ATOM 591 CE2 TRP A 59 4.331 4.679 -10.730 1.00 0.00 C ATOM 592 CE3 TRP A 59 3.630 4.967 -8.390 1.00 0.00 C ATOM 593 CZ2 TRP A 59 3.575 3.493 -10.805 1.00 0.00 C ATOM 594 CZ3 TRP A 59 2.872 3.819 -8.508 1.00 0.00 C ATOM 595 CH2 TRP A 59 2.837 3.087 -9.695 1.00 0.00 C ATOM 0 H TRP A 59 5.615 5.706 -6.293 1.00 0.00 H new ATOM 0 HA TRP A 59 7.815 6.707 -7.855 1.00 0.00 H new ATOM 0 HB2 TRP A 59 5.094 7.990 -8.263 1.00 0.00 H new ATOM 0 HB3 TRP A 59 6.523 8.127 -9.267 1.00 0.00 H new ATOM 0 HD1 TRP A 59 6.373 7.060 -11.505 1.00 0.00 H new ATOM 0 HE1 TRP A 59 5.316 4.928 -12.643 1.00 0.00 H new ATOM 0 HE3 TRP A 59 3.646 5.523 -7.464 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 3.567 2.906 -11.711 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 2.293 3.480 -7.662 1.00 0.00 H new ATOM 0 HH2 TRP A 59 2.231 2.195 -9.754 1.00 0.00 H new ATOM 606 N LEU A 60 7.664 9.110 -6.801 1.00 0.00 N ATOM 607 CA LEU A 60 7.693 10.396 -6.067 1.00 0.00 C ATOM 608 C LEU A 60 6.479 11.271 -6.540 1.00 0.00 C ATOM 609 O LEU A 60 5.700 10.920 -7.437 1.00 0.00 O ATOM 610 CB LEU A 60 9.069 11.053 -6.386 1.00 0.00 C ATOM 611 CG LEU A 60 9.689 12.115 -5.461 1.00 0.00 C ATOM 612 CD1 LEU A 60 9.727 11.713 -3.980 1.00 0.00 C ATOM 613 CD2 LEU A 60 11.127 12.378 -5.941 1.00 0.00 C ATOM 0 H LEU A 60 8.319 9.064 -7.581 1.00 0.00 H new ATOM 0 HA LEU A 60 7.596 10.276 -4.988 1.00 0.00 H new ATOM 0 HB2 LEU A 60 9.794 10.244 -6.469 1.00 0.00 H new ATOM 0 HB3 LEU A 60 8.982 11.506 -7.374 1.00 0.00 H new ATOM 0 HG LEU A 60 9.057 13.001 -5.520 1.00 0.00 H new ATOM 0 HD11 LEU A 60 10.178 12.516 -3.397 1.00 0.00 H new ATOM 0 HD12 LEU A 60 8.712 11.533 -3.626 1.00 0.00 H new ATOM 0 HD13 LEU A 60 10.318 10.804 -3.865 1.00 0.00 H new ATOM 0 HD21 LEU A 60 11.592 13.129 -5.302 1.00 0.00 H new ATOM 0 HD22 LEU A 60 11.702 11.453 -5.892 1.00 0.00 H new ATOM 0 HD23 LEU A 60 11.107 12.739 -6.969 1.00 0.00 H new ATOM 625 N LEU A 61 6.349 12.464 -5.969 1.00 0.00 N ATOM 626 CA LEU A 61 5.272 13.423 -6.344 1.00 0.00 C ATOM 627 C LEU A 61 5.297 13.984 -7.799 1.00 0.00 C ATOM 628 O LEU A 61 4.241 14.330 -8.332 1.00 0.00 O ATOM 629 CB LEU A 61 5.002 14.452 -5.213 1.00 0.00 C ATOM 630 CG LEU A 61 5.961 15.634 -4.886 1.00 0.00 C ATOM 631 CD1 LEU A 61 7.442 15.256 -4.759 1.00 0.00 C ATOM 632 CD2 LEU A 61 5.813 16.810 -5.855 1.00 0.00 C ATOM 0 H LEU A 61 6.972 12.807 -5.238 1.00 0.00 H new ATOM 0 HA LEU A 61 4.369 12.817 -6.419 1.00 0.00 H new ATOM 0 HB2 LEU A 61 4.029 14.895 -5.426 1.00 0.00 H new ATOM 0 HB3 LEU A 61 4.897 13.877 -4.293 1.00 0.00 H new ATOM 0 HG LEU A 61 5.631 15.944 -3.894 1.00 0.00 H new ATOM 0 HD11 LEU A 61 8.027 16.147 -4.530 1.00 0.00 H new ATOM 0 HD12 LEU A 61 7.564 14.527 -3.958 1.00 0.00 H new ATOM 0 HD13 LEU A 61 7.789 14.825 -5.698 1.00 0.00 H new ATOM 0 HD21 LEU A 61 6.508 17.602 -5.575 1.00 0.00 H new ATOM 0 HD22 LEU A 61 6.033 16.476 -6.869 1.00 0.00 H new ATOM 0 HD23 LEU A 61 4.792 17.191 -5.812 1.00 0.00 H new ATOM 644 N ASP A 62 6.471 14.033 -8.457 1.00 0.00 N ATOM 645 CA ASP A 62 6.519 14.323 -9.930 1.00 0.00 C ATOM 646 C ASP A 62 6.209 13.038 -10.837 1.00 0.00 C ATOM 647 O ASP A 62 6.442 13.062 -12.046 1.00 0.00 O ATOM 648 CB ASP A 62 7.931 14.938 -10.148 1.00 0.00 C ATOM 649 CG ASP A 62 8.232 15.464 -11.546 1.00 0.00 C ATOM 650 OD1 ASP A 62 9.124 15.025 -12.262 1.00 0.00 O ATOM 651 OD2 ASP A 62 7.409 16.484 -11.906 1.00 0.00 O ATOM 0 H ASP A 62 7.381 13.883 -8.021 1.00 0.00 H new ATOM 0 HA ASP A 62 5.735 15.011 -10.246 1.00 0.00 H new ATOM 0 HB2 ASP A 62 8.060 15.756 -9.440 1.00 0.00 H new ATOM 0 HB3 ASP A 62 8.675 14.181 -9.900 1.00 0.00 H new ATOM 657 N GLY A 63 5.660 11.929 -10.276 1.00 0.00 N ATOM 658 CA GLY A 63 5.487 10.602 -10.983 1.00 0.00 C ATOM 659 C GLY A 63 6.780 9.935 -11.507 1.00 0.00 C ATOM 660 O GLY A 63 6.799 9.231 -12.516 1.00 0.00 O ATOM 0 H GLY A 63 5.318 11.915 -9.315 1.00 0.00 H new ATOM 0 HA2 GLY A 63 4.998 9.910 -10.298 1.00 0.00 H new ATOM 0 HA3 GLY A 63 4.811 10.748 -11.825 1.00 0.00 H new ATOM 664 N THR A 64 7.853 10.187 -10.771 1.00 0.00 N ATOM 665 CA THR A 64 9.214 9.695 -11.078 1.00 0.00 C ATOM 666 C THR A 64 9.328 8.278 -10.451 1.00 0.00 C ATOM 667 O THR A 64 9.322 8.140 -9.221 1.00 0.00 O ATOM 668 CB THR A 64 10.263 10.699 -10.515 1.00 0.00 C ATOM 669 OG1 THR A 64 9.973 12.052 -10.864 1.00 0.00 O ATOM 670 CG2 THR A 64 11.663 10.412 -11.057 1.00 0.00 C ATOM 0 H THR A 64 7.814 10.751 -9.922 1.00 0.00 H new ATOM 0 HA THR A 64 9.404 9.623 -12.149 1.00 0.00 H new ATOM 0 HB THR A 64 10.219 10.569 -9.434 1.00 0.00 H new ATOM 0 HG1 THR A 64 10.659 12.641 -10.486 1.00 0.00 H new ATOM 0 HG21 THR A 64 12.368 11.132 -10.643 1.00 0.00 H new ATOM 0 HG22 THR A 64 11.964 9.404 -10.772 1.00 0.00 H new ATOM 0 HG23 THR A 64 11.656 10.495 -12.144 1.00 0.00 H new ATOM 678 N LYS A 65 9.405 7.235 -11.290 1.00 0.00 N ATOM 679 CA LYS A 65 9.398 5.838 -10.792 1.00 0.00 C ATOM 680 C LYS A 65 10.782 5.422 -10.146 1.00 0.00 C ATOM 681 O LYS A 65 11.660 4.926 -10.860 1.00 0.00 O ATOM 682 CB LYS A 65 8.991 4.869 -11.936 1.00 0.00 C ATOM 683 CG LYS A 65 8.605 3.456 -11.413 1.00 0.00 C ATOM 684 CD LYS A 65 8.597 2.360 -12.497 1.00 0.00 C ATOM 685 CE LYS A 65 10.011 1.934 -12.933 1.00 0.00 C ATOM 686 NZ LYS A 65 9.939 0.761 -13.824 1.00 0.00 N ATOM 0 H LYS A 65 9.472 7.322 -12.304 1.00 0.00 H new ATOM 0 HA LYS A 65 8.657 5.772 -9.995 1.00 0.00 H new ATOM 0 HB2 LYS A 65 8.149 5.292 -12.484 1.00 0.00 H new ATOM 0 HB3 LYS A 65 9.817 4.778 -12.642 1.00 0.00 H new ATOM 0 HG2 LYS A 65 9.304 3.169 -10.627 1.00 0.00 H new ATOM 0 HG3 LYS A 65 7.616 3.507 -10.957 1.00 0.00 H new ATOM 0 HD2 LYS A 65 8.061 1.489 -12.121 1.00 0.00 H new ATOM 0 HD3 LYS A 65 8.048 2.721 -13.367 1.00 0.00 H new ATOM 0 HE2 LYS A 65 10.505 2.759 -13.446 1.00 0.00 H new ATOM 0 HE3 LYS A 65 10.614 1.697 -12.056 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 10.790 0.725 -14.421 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 9.880 -0.106 -13.253 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 9.096 0.835 -14.428 1.00 0.00 H new ATOM 699 N PHE A 66 11.031 5.625 -8.835 1.00 0.00 N ATOM 700 CA PHE A 66 12.274 5.158 -8.175 1.00 0.00 C ATOM 701 C PHE A 66 12.354 3.613 -7.970 1.00 0.00 C ATOM 702 O PHE A 66 13.478 3.102 -7.952 1.00 0.00 O ATOM 703 CB PHE A 66 12.530 5.958 -6.866 1.00 0.00 C ATOM 704 CG PHE A 66 11.453 5.912 -5.767 1.00 0.00 C ATOM 705 CD1 PHE A 66 11.305 4.798 -4.932 1.00 0.00 C ATOM 706 CD2 PHE A 66 10.575 6.987 -5.639 1.00 0.00 C ATOM 707 CE1 PHE A 66 10.268 4.750 -4.001 1.00 0.00 C ATOM 708 CE2 PHE A 66 9.559 6.946 -4.693 1.00 0.00 C ATOM 709 CZ PHE A 66 9.393 5.830 -3.882 1.00 0.00 C ATOM 0 H PHE A 66 10.388 6.110 -8.209 1.00 0.00 H new ATOM 0 HA PHE A 66 13.090 5.369 -8.867 1.00 0.00 H new ATOM 0 HB2 PHE A 66 13.464 5.599 -6.433 1.00 0.00 H new ATOM 0 HB3 PHE A 66 12.685 7.002 -7.138 1.00 0.00 H new ATOM 0 HD1 PHE A 66 11.997 3.972 -5.009 1.00 0.00 H new ATOM 0 HD2 PHE A 66 10.685 7.852 -6.276 1.00 0.00 H new ATOM 0 HE1 PHE A 66 10.143 3.880 -3.374 1.00 0.00 H new ATOM 0 HE2 PHE A 66 8.892 7.789 -4.587 1.00 0.00 H new ATOM 0 HZ PHE A 66 8.589 5.799 -3.162 1.00 0.00 H new ATOM 719 N ASP A 67 11.236 2.865 -7.776 1.00 0.00 N ATOM 720 CA ASP A 67 11.343 1.385 -7.640 1.00 0.00 C ATOM 721 C ASP A 67 10.079 0.616 -8.118 1.00 0.00 C ATOM 722 O ASP A 67 8.930 1.060 -8.068 1.00 0.00 O ATOM 723 CB ASP A 67 11.809 0.946 -6.220 1.00 0.00 C ATOM 724 CG ASP A 67 12.409 -0.460 -6.104 1.00 0.00 C ATOM 725 OD1 ASP A 67 11.863 -1.395 -5.529 1.00 0.00 O ATOM 726 OD2 ASP A 67 13.620 -0.563 -6.715 1.00 0.00 O ATOM 0 H ASP A 67 10.289 3.239 -7.712 1.00 0.00 H new ATOM 0 HA ASP A 67 12.133 1.093 -8.332 1.00 0.00 H new ATOM 0 HB2 ASP A 67 12.549 1.664 -5.866 1.00 0.00 H new ATOM 0 HB3 ASP A 67 10.955 1.010 -5.545 1.00 0.00 H new ATOM 732 N SER A 68 10.374 -0.588 -8.596 1.00 0.00 N ATOM 733 CA SER A 68 9.373 -1.565 -9.076 1.00 0.00 C ATOM 734 C SER A 68 10.054 -2.959 -9.056 1.00 0.00 C ATOM 735 O SER A 68 10.784 -3.300 -9.996 1.00 0.00 O ATOM 736 CB SER A 68 8.836 -1.178 -10.481 1.00 0.00 C ATOM 737 OG SER A 68 9.831 -1.289 -11.499 1.00 0.00 O ATOM 0 H SER A 68 11.332 -0.930 -8.667 1.00 0.00 H new ATOM 0 HA SER A 68 8.495 -1.578 -8.430 1.00 0.00 H new ATOM 0 HB2 SER A 68 7.991 -1.819 -10.732 1.00 0.00 H new ATOM 0 HB3 SER A 68 8.462 -0.155 -10.454 1.00 0.00 H new ATOM 0 HG SER A 68 10.421 -2.045 -11.298 1.00 0.00 H new ATOM 743 N SER A 69 9.854 -3.763 -7.997 1.00 0.00 N ATOM 744 CA SER A 69 10.469 -5.130 -7.922 1.00 0.00 C ATOM 745 C SER A 69 10.063 -6.108 -9.093 1.00 0.00 C ATOM 746 O SER A 69 10.913 -6.831 -9.620 1.00 0.00 O ATOM 747 CB SER A 69 10.266 -5.702 -6.502 1.00 0.00 C ATOM 748 OG SER A 69 11.301 -6.644 -6.216 1.00 0.00 O ATOM 0 H SER A 69 9.285 -3.511 -7.189 1.00 0.00 H new ATOM 0 HA SER A 69 11.540 -5.024 -8.094 1.00 0.00 H new ATOM 0 HB2 SER A 69 10.280 -4.896 -5.768 1.00 0.00 H new ATOM 0 HB3 SER A 69 9.291 -6.183 -6.428 1.00 0.00 H new ATOM 0 HG SER A 69 11.187 -6.990 -5.306 1.00 0.00 H new ATOM 754 N LEU A 70 8.794 -6.039 -9.550 1.00 0.00 N ATOM 755 CA LEU A 70 8.253 -6.782 -10.721 1.00 0.00 C ATOM 756 C LEU A 70 9.036 -6.680 -12.084 1.00 0.00 C ATOM 757 O LEU A 70 9.074 -7.643 -12.849 1.00 0.00 O ATOM 758 CB LEU A 70 6.808 -6.235 -10.960 1.00 0.00 C ATOM 759 CG LEU A 70 5.766 -6.342 -9.812 1.00 0.00 C ATOM 760 CD1 LEU A 70 5.568 -5.012 -9.059 1.00 0.00 C ATOM 761 CD2 LEU A 70 4.407 -6.802 -10.339 1.00 0.00 C ATOM 0 H LEU A 70 8.092 -5.448 -9.104 1.00 0.00 H new ATOM 0 HA LEU A 70 8.327 -7.836 -10.454 1.00 0.00 H new ATOM 0 HB2 LEU A 70 6.894 -5.182 -11.230 1.00 0.00 H new ATOM 0 HB3 LEU A 70 6.398 -6.754 -11.827 1.00 0.00 H new ATOM 0 HG LEU A 70 6.171 -7.078 -9.118 1.00 0.00 H new ATOM 0 HD11 LEU A 70 4.829 -5.148 -8.269 1.00 0.00 H new ATOM 0 HD12 LEU A 70 6.515 -4.698 -8.620 1.00 0.00 H new ATOM 0 HD13 LEU A 70 5.219 -4.249 -9.754 1.00 0.00 H new ATOM 0 HD21 LEU A 70 3.699 -6.867 -9.512 1.00 0.00 H new ATOM 0 HD22 LEU A 70 4.041 -6.086 -11.075 1.00 0.00 H new ATOM 0 HD23 LEU A 70 4.510 -7.781 -10.806 1.00 0.00 H new ATOM 773 N ASP A 71 9.597 -5.499 -12.388 1.00 0.00 N ATOM 774 CA ASP A 71 10.363 -5.212 -13.633 1.00 0.00 C ATOM 775 C ASP A 71 11.602 -6.144 -13.866 1.00 0.00 C ATOM 776 O ASP A 71 11.626 -6.911 -14.830 1.00 0.00 O ATOM 777 CB ASP A 71 10.707 -3.698 -13.544 1.00 0.00 C ATOM 778 CG ASP A 71 11.221 -3.081 -14.838 1.00 0.00 C ATOM 779 OD1 ASP A 71 10.493 -2.703 -15.748 1.00 0.00 O ATOM 780 OD2 ASP A 71 12.576 -2.995 -14.867 1.00 0.00 O ATOM 0 H ASP A 71 9.535 -4.692 -11.767 1.00 0.00 H new ATOM 0 HA ASP A 71 9.770 -5.434 -14.520 1.00 0.00 H new ATOM 0 HB2 ASP A 71 9.816 -3.156 -13.229 1.00 0.00 H new ATOM 0 HB3 ASP A 71 11.458 -3.556 -12.767 1.00 0.00 H new ATOM 786 N ARG A 72 12.620 -6.039 -12.998 1.00 0.00 N ATOM 787 CA ARG A 72 13.837 -6.893 -13.067 1.00 0.00 C ATOM 788 C ARG A 72 14.641 -6.919 -11.720 1.00 0.00 C ATOM 789 O ARG A 72 15.733 -6.348 -11.617 1.00 0.00 O ATOM 790 CB ARG A 72 14.718 -6.524 -14.308 1.00 0.00 C ATOM 791 CG ARG A 72 15.912 -7.465 -14.637 1.00 0.00 C ATOM 792 CD ARG A 72 15.550 -8.938 -14.924 1.00 0.00 C ATOM 793 NE ARG A 72 15.514 -9.714 -13.653 1.00 0.00 N ATOM 794 CZ ARG A 72 14.662 -10.681 -13.343 1.00 0.00 C ATOM 795 NH1 ARG A 72 13.719 -11.112 -14.126 1.00 0.00 N ATOM 796 NH2 ARG A 72 14.778 -11.216 -12.179 1.00 0.00 N ATOM 0 H ARG A 72 12.633 -5.368 -12.230 1.00 0.00 H new ATOM 0 HA ARG A 72 13.504 -7.920 -13.213 1.00 0.00 H new ATOM 0 HB2 ARG A 72 14.069 -6.483 -15.183 1.00 0.00 H new ATOM 0 HB3 ARG A 72 15.112 -5.519 -14.156 1.00 0.00 H new ATOM 0 HG2 ARG A 72 16.437 -7.064 -15.504 1.00 0.00 H new ATOM 0 HG3 ARG A 72 16.611 -7.439 -13.801 1.00 0.00 H new ATOM 0 HD2 ARG A 72 14.581 -8.992 -15.420 1.00 0.00 H new ATOM 0 HD3 ARG A 72 16.281 -9.374 -15.605 1.00 0.00 H new ATOM 0 HE ARG A 72 16.215 -9.478 -12.951 1.00 0.00 H new ATOM 0 HH11 ARG A 72 13.597 -10.701 -15.051 1.00 0.00 H new ATOM 0 HH12 ARG A 72 13.101 -11.862 -13.815 1.00 0.00 H new ATOM 0 HH21 ARG A 72 15.503 -10.892 -11.539 1.00 0.00 H new ATOM 0 HH22 ARG A 72 14.145 -11.964 -11.896 1.00 0.00 H new ATOM 809 N LYS A 73 14.109 -7.566 -10.662 1.00 0.00 N ATOM 810 CA LYS A 73 14.820 -7.743 -9.383 1.00 0.00 C ATOM 811 C LYS A 73 14.300 -9.056 -8.710 1.00 0.00 C ATOM 812 O LYS A 73 14.943 -10.106 -8.770 1.00 0.00 O ATOM 813 CB LYS A 73 14.738 -6.424 -8.545 1.00 0.00 C ATOM 814 CG LYS A 73 15.543 -6.412 -7.223 1.00 0.00 C ATOM 815 CD LYS A 73 15.563 -5.039 -6.514 1.00 0.00 C ATOM 816 CE LYS A 73 14.211 -4.603 -5.923 1.00 0.00 C ATOM 817 NZ LYS A 73 14.367 -3.313 -5.222 1.00 0.00 N ATOM 0 H LYS A 73 13.176 -7.979 -10.672 1.00 0.00 H new ATOM 0 HA LYS A 73 15.892 -7.896 -9.504 1.00 0.00 H new ATOM 0 HB2 LYS A 73 15.086 -5.599 -9.167 1.00 0.00 H new ATOM 0 HB3 LYS A 73 13.691 -6.229 -8.312 1.00 0.00 H new ATOM 0 HG2 LYS A 73 15.121 -7.154 -6.545 1.00 0.00 H new ATOM 0 HG3 LYS A 73 16.568 -6.718 -7.431 1.00 0.00 H new ATOM 0 HD2 LYS A 73 16.302 -5.069 -5.713 1.00 0.00 H new ATOM 0 HD3 LYS A 73 15.895 -4.282 -7.225 1.00 0.00 H new ATOM 0 HE2 LYS A 73 13.470 -4.509 -6.717 1.00 0.00 H new ATOM 0 HE3 LYS A 73 13.844 -5.361 -5.232 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 13.485 -2.767 -5.299 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 14.580 -3.487 -4.219 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 15.146 -2.776 -5.653 1.00 0.00 H new ATOM 830 N ASP A 74 13.124 -8.984 -8.068 1.00 0.00 N ATOM 831 CA ASP A 74 12.477 -10.083 -7.300 1.00 0.00 C ATOM 832 C ASP A 74 10.992 -9.655 -6.996 1.00 0.00 C ATOM 833 O ASP A 74 10.260 -9.133 -7.841 1.00 0.00 O ATOM 834 CB ASP A 74 13.390 -10.297 -6.037 1.00 0.00 C ATOM 835 CG ASP A 74 13.554 -11.744 -5.599 1.00 0.00 C ATOM 836 OD1 ASP A 74 14.592 -12.383 -5.707 1.00 0.00 O ATOM 837 OD2 ASP A 74 12.415 -12.253 -5.056 1.00 0.00 O ATOM 0 H ASP A 74 12.568 -8.129 -8.063 1.00 0.00 H new ATOM 0 HA ASP A 74 12.398 -11.036 -7.823 1.00 0.00 H new ATOM 0 HB2 ASP A 74 14.376 -9.883 -6.246 1.00 0.00 H new ATOM 0 HB3 ASP A 74 12.974 -9.727 -5.206 1.00 0.00 H new ATOM 843 N LYS A 75 10.535 -9.928 -5.774 1.00 0.00 N ATOM 844 CA LYS A 75 9.260 -9.465 -5.215 1.00 0.00 C ATOM 845 C LYS A 75 9.566 -8.451 -4.046 1.00 0.00 C ATOM 846 O LYS A 75 10.674 -7.902 -3.944 1.00 0.00 O ATOM 847 CB LYS A 75 8.433 -10.701 -4.754 1.00 0.00 C ATOM 848 CG LYS A 75 8.230 -11.911 -5.705 1.00 0.00 C ATOM 849 CD LYS A 75 6.968 -12.747 -5.396 1.00 0.00 C ATOM 850 CE LYS A 75 6.997 -13.461 -4.034 1.00 0.00 C ATOM 851 NZ LYS A 75 5.748 -14.223 -3.845 1.00 0.00 N ATOM 0 H LYS A 75 11.064 -10.502 -5.117 1.00 0.00 H new ATOM 0 HA LYS A 75 8.659 -8.938 -5.956 1.00 0.00 H new ATOM 0 HB2 LYS A 75 8.901 -11.081 -3.845 1.00 0.00 H new ATOM 0 HB3 LYS A 75 7.443 -10.340 -4.476 1.00 0.00 H new ATOM 0 HG2 LYS A 75 8.171 -11.548 -6.731 1.00 0.00 H new ATOM 0 HG3 LYS A 75 9.105 -12.558 -5.646 1.00 0.00 H new ATOM 0 HD2 LYS A 75 6.096 -12.093 -5.432 1.00 0.00 H new ATOM 0 HD3 LYS A 75 6.840 -13.492 -6.181 1.00 0.00 H new ATOM 0 HE2 LYS A 75 7.855 -14.132 -3.982 1.00 0.00 H new ATOM 0 HE3 LYS A 75 7.114 -12.732 -3.233 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 5.771 -14.704 -2.923 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 4.937 -13.573 -3.876 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 5.654 -14.930 -4.602 1.00 0.00 H new ATOM 864 N PHE A 76 8.586 -8.107 -3.195 1.00 0.00 N ATOM 865 CA PHE A 76 8.848 -7.329 -1.958 1.00 0.00 C ATOM 866 C PHE A 76 8.229 -8.065 -0.714 1.00 0.00 C ATOM 867 O PHE A 76 7.225 -8.776 -0.801 1.00 0.00 O ATOM 868 CB PHE A 76 8.583 -5.794 -2.149 1.00 0.00 C ATOM 869 CG PHE A 76 9.566 -5.003 -1.255 1.00 0.00 C ATOM 870 CD1 PHE A 76 10.919 -4.889 -1.603 1.00 0.00 C ATOM 871 CD2 PHE A 76 9.137 -4.510 -0.018 1.00 0.00 C ATOM 872 CE1 PHE A 76 11.816 -4.262 -0.741 1.00 0.00 C ATOM 873 CE2 PHE A 76 10.039 -3.897 0.849 1.00 0.00 C ATOM 874 CZ PHE A 76 11.375 -3.768 0.483 1.00 0.00 C ATOM 0 H PHE A 76 7.605 -8.351 -3.334 1.00 0.00 H new ATOM 0 HA PHE A 76 9.912 -7.309 -1.722 1.00 0.00 H new ATOM 0 HB2 PHE A 76 8.716 -5.515 -3.194 1.00 0.00 H new ATOM 0 HB3 PHE A 76 7.554 -5.553 -1.883 1.00 0.00 H new ATOM 0 HD1 PHE A 76 11.268 -5.289 -2.544 1.00 0.00 H new ATOM 0 HD2 PHE A 76 8.100 -4.605 0.267 1.00 0.00 H new ATOM 0 HE1 PHE A 76 12.854 -4.159 -1.023 1.00 0.00 H new ATOM 0 HE2 PHE A 76 9.701 -3.522 1.804 1.00 0.00 H new ATOM 0 HZ PHE A 76 12.072 -3.283 1.151 1.00 0.00 H new ATOM 884 N SER A 77 8.866 -7.963 0.460 1.00 0.00 N ATOM 885 CA SER A 77 8.410 -8.656 1.691 1.00 0.00 C ATOM 886 C SER A 77 9.038 -7.974 2.915 1.00 0.00 C ATOM 887 O SER A 77 10.208 -7.574 2.936 1.00 0.00 O ATOM 888 CB SER A 77 8.716 -10.167 1.717 1.00 0.00 C ATOM 889 OG SER A 77 10.114 -10.466 1.749 1.00 0.00 O ATOM 0 H SER A 77 9.708 -7.403 0.592 1.00 0.00 H new ATOM 0 HA SER A 77 7.323 -8.574 1.709 1.00 0.00 H new ATOM 0 HB2 SER A 77 8.238 -10.611 2.590 1.00 0.00 H new ATOM 0 HB3 SER A 77 8.273 -10.634 0.838 1.00 0.00 H new ATOM 0 HG SER A 77 10.240 -11.438 1.766 1.00 0.00 H new ATOM 895 N PHE A 78 8.218 -7.866 3.946 1.00 0.00 N ATOM 896 CA PHE A 78 8.618 -7.172 5.203 1.00 0.00 C ATOM 897 C PHE A 78 7.902 -7.776 6.469 1.00 0.00 C ATOM 898 O PHE A 78 7.183 -8.774 6.367 1.00 0.00 O ATOM 899 CB PHE A 78 8.406 -5.653 4.913 1.00 0.00 C ATOM 900 CG PHE A 78 7.002 -5.067 5.108 1.00 0.00 C ATOM 901 CD1 PHE A 78 6.697 -4.581 6.377 1.00 0.00 C ATOM 902 CD2 PHE A 78 6.136 -4.802 4.039 1.00 0.00 C ATOM 903 CE1 PHE A 78 5.543 -3.856 6.595 1.00 0.00 C ATOM 904 CE2 PHE A 78 4.983 -4.041 4.257 1.00 0.00 C ATOM 905 CZ PHE A 78 4.695 -3.570 5.542 1.00 0.00 C ATOM 0 H PHE A 78 7.270 -8.242 3.958 1.00 0.00 H new ATOM 0 HA PHE A 78 9.662 -7.323 5.477 1.00 0.00 H new ATOM 0 HB2 PHE A 78 9.092 -5.094 5.550 1.00 0.00 H new ATOM 0 HB3 PHE A 78 8.704 -5.466 3.881 1.00 0.00 H new ATOM 0 HD1 PHE A 78 7.371 -4.773 7.199 1.00 0.00 H new ATOM 0 HD2 PHE A 78 6.357 -5.183 3.053 1.00 0.00 H new ATOM 0 HE1 PHE A 78 5.302 -3.512 7.590 1.00 0.00 H new ATOM 0 HE2 PHE A 78 4.318 -3.818 3.436 1.00 0.00 H new ATOM 0 HZ PHE A 78 3.806 -2.980 5.712 1.00 0.00 H new ATOM 915 N ASP A 79 8.097 -7.230 7.689 1.00 0.00 N ATOM 916 CA ASP A 79 7.346 -7.670 8.888 1.00 0.00 C ATOM 917 C ASP A 79 6.703 -6.360 9.471 1.00 0.00 C ATOM 918 O ASP A 79 7.401 -5.358 9.677 1.00 0.00 O ATOM 919 CB ASP A 79 8.348 -8.493 9.729 1.00 0.00 C ATOM 920 CG ASP A 79 7.716 -9.400 10.777 1.00 0.00 C ATOM 921 OD1 ASP A 79 7.939 -10.601 10.862 1.00 0.00 O ATOM 922 OD2 ASP A 79 6.864 -8.732 11.592 1.00 0.00 O ATOM 0 H ASP A 79 8.768 -6.484 7.871 1.00 0.00 H new ATOM 0 HA ASP A 79 6.501 -8.348 8.768 1.00 0.00 H new ATOM 0 HB2 ASP A 79 8.948 -9.105 9.055 1.00 0.00 H new ATOM 0 HB3 ASP A 79 9.030 -7.806 10.229 1.00 0.00 H new ATOM 928 N LEU A 80 5.365 -6.342 9.659 1.00 0.00 N ATOM 929 CA LEU A 80 4.589 -5.126 10.063 1.00 0.00 C ATOM 930 C LEU A 80 5.154 -4.388 11.330 1.00 0.00 C ATOM 931 O LEU A 80 5.091 -4.903 12.447 1.00 0.00 O ATOM 932 CB LEU A 80 3.102 -5.542 10.238 1.00 0.00 C ATOM 933 CG LEU A 80 2.053 -4.407 10.089 1.00 0.00 C ATOM 934 CD1 LEU A 80 2.109 -3.788 8.695 1.00 0.00 C ATOM 935 CD2 LEU A 80 0.649 -4.977 10.306 1.00 0.00 C ATOM 0 H LEU A 80 4.781 -7.169 9.537 1.00 0.00 H new ATOM 0 HA LEU A 80 4.686 -4.383 9.272 1.00 0.00 H new ATOM 0 HB2 LEU A 80 2.874 -6.318 9.507 1.00 0.00 H new ATOM 0 HB3 LEU A 80 2.985 -5.990 11.225 1.00 0.00 H new ATOM 0 HG LEU A 80 2.278 -3.641 10.831 1.00 0.00 H new ATOM 0 HD11 LEU A 80 1.364 -2.996 8.618 1.00 0.00 H new ATOM 0 HD12 LEU A 80 3.101 -3.371 8.522 1.00 0.00 H new ATOM 0 HD13 LEU A 80 1.902 -4.554 7.948 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -0.087 -4.180 10.201 1.00 0.00 H new ATOM 0 HD22 LEU A 80 0.453 -5.752 9.565 1.00 0.00 H new ATOM 0 HD23 LEU A 80 0.581 -5.405 11.306 1.00 0.00 H new ATOM 947 N GLY A 81 5.736 -3.192 11.136 1.00 0.00 N ATOM 948 CA GLY A 81 6.418 -2.429 12.250 1.00 0.00 C ATOM 949 C GLY A 81 7.617 -3.146 12.943 1.00 0.00 C ATOM 950 O GLY A 81 7.765 -3.060 14.160 1.00 0.00 O ATOM 0 H GLY A 81 5.760 -2.717 10.233 1.00 0.00 H new ATOM 0 HA2 GLY A 81 6.773 -1.480 11.848 1.00 0.00 H new ATOM 0 HA3 GLY A 81 5.673 -2.195 13.011 1.00 0.00 H new ATOM 954 N LYS A 82 8.474 -3.812 12.150 1.00 0.00 N ATOM 955 CA LYS A 82 9.603 -4.660 12.667 1.00 0.00 C ATOM 956 C LYS A 82 10.951 -4.352 11.941 1.00 0.00 C ATOM 957 O LYS A 82 11.827 -3.704 12.515 1.00 0.00 O ATOM 958 CB LYS A 82 9.172 -6.161 12.627 1.00 0.00 C ATOM 959 CG LYS A 82 8.016 -6.529 13.587 1.00 0.00 C ATOM 960 CD LYS A 82 8.222 -7.818 14.412 1.00 0.00 C ATOM 961 CE LYS A 82 9.219 -7.646 15.568 1.00 0.00 C ATOM 962 NZ LYS A 82 9.344 -8.916 16.307 1.00 0.00 N ATOM 0 H LYS A 82 8.418 -3.789 11.132 1.00 0.00 H new ATOM 0 HA LYS A 82 9.807 -4.411 13.708 1.00 0.00 H new ATOM 0 HB2 LYS A 82 8.874 -6.412 11.609 1.00 0.00 H new ATOM 0 HB3 LYS A 82 10.037 -6.779 12.868 1.00 0.00 H new ATOM 0 HG2 LYS A 82 7.861 -5.699 14.276 1.00 0.00 H new ATOM 0 HG3 LYS A 82 7.102 -6.634 13.003 1.00 0.00 H new ATOM 0 HD2 LYS A 82 7.262 -8.141 14.814 1.00 0.00 H new ATOM 0 HD3 LYS A 82 8.574 -8.611 13.752 1.00 0.00 H new ATOM 0 HE2 LYS A 82 10.191 -7.342 15.181 1.00 0.00 H new ATOM 0 HE3 LYS A 82 8.881 -6.855 16.238 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 10.019 -8.798 17.089 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 8.416 -9.188 16.689 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 9.685 -9.659 15.665 1.00 0.00 H new ATOM 975 N GLY A 83 11.121 -4.778 10.673 1.00 0.00 N ATOM 976 CA GLY A 83 12.313 -4.376 9.846 1.00 0.00 C ATOM 977 C GLY A 83 11.752 -3.360 8.844 1.00 0.00 C ATOM 978 O GLY A 83 11.470 -3.604 7.671 1.00 0.00 O ATOM 0 H GLY A 83 10.466 -5.393 10.190 1.00 0.00 H new ATOM 0 HA2 GLY A 83 13.096 -3.935 10.464 1.00 0.00 H new ATOM 0 HA3 GLY A 83 12.753 -5.234 9.338 1.00 0.00 H new ATOM 982 N GLU A 84 11.474 -2.246 9.495 1.00 0.00 N ATOM 983 CA GLU A 84 10.569 -1.229 9.014 1.00 0.00 C ATOM 984 C GLU A 84 10.935 -0.446 7.727 1.00 0.00 C ATOM 985 O GLU A 84 12.013 0.066 7.435 1.00 0.00 O ATOM 986 CB GLU A 84 9.975 -0.422 10.196 1.00 0.00 C ATOM 987 CG GLU A 84 10.936 0.261 11.211 1.00 0.00 C ATOM 988 CD GLU A 84 11.401 1.675 10.850 1.00 0.00 C ATOM 989 OE1 GLU A 84 11.062 2.667 11.487 1.00 0.00 O ATOM 990 OE2 GLU A 84 12.234 1.705 9.769 1.00 0.00 O ATOM 0 H GLU A 84 11.886 -2.021 10.400 1.00 0.00 H new ATOM 0 HA GLU A 84 9.747 -1.780 8.558 1.00 0.00 H new ATOM 0 HB2 GLU A 84 9.338 0.355 9.774 1.00 0.00 H new ATOM 0 HB3 GLU A 84 9.328 -1.094 10.759 1.00 0.00 H new ATOM 0 HG2 GLU A 84 10.440 0.300 12.181 1.00 0.00 H new ATOM 0 HG3 GLU A 84 11.817 -0.371 11.328 1.00 0.00 H new ATOM 998 N VAL A 85 9.817 -0.431 7.057 1.00 0.00 N ATOM 999 CA VAL A 85 9.514 0.108 5.736 1.00 0.00 C ATOM 1000 C VAL A 85 9.323 1.633 5.903 1.00 0.00 C ATOM 1001 O VAL A 85 10.260 2.401 6.130 1.00 0.00 O ATOM 1002 CB VAL A 85 8.346 -0.846 5.238 1.00 0.00 C ATOM 1003 CG1 VAL A 85 8.838 -2.304 4.978 1.00 0.00 C ATOM 1004 CG2 VAL A 85 7.058 -0.932 6.105 1.00 0.00 C ATOM 0 H VAL A 85 8.981 -0.848 7.468 1.00 0.00 H new ATOM 0 HA VAL A 85 10.256 0.090 4.938 1.00 0.00 H new ATOM 0 HB VAL A 85 8.056 -0.338 4.318 1.00 0.00 H new ATOM 0 HG11 VAL A 85 8.001 -2.915 4.640 1.00 0.00 H new ATOM 0 HG12 VAL A 85 9.614 -2.295 4.213 1.00 0.00 H new ATOM 0 HG13 VAL A 85 9.243 -2.721 5.900 1.00 0.00 H new ATOM 0 HG21 VAL A 85 6.352 -1.620 5.640 1.00 0.00 H new ATOM 0 HG22 VAL A 85 7.314 -1.292 7.102 1.00 0.00 H new ATOM 0 HG23 VAL A 85 6.604 0.056 6.182 1.00 0.00 H new ATOM 1014 N ILE A 86 8.083 2.035 5.785 1.00 0.00 N ATOM 1015 CA ILE A 86 7.607 3.378 6.128 1.00 0.00 C ATOM 1016 C ILE A 86 6.329 3.210 6.995 1.00 0.00 C ATOM 1017 O ILE A 86 5.597 2.212 6.952 1.00 0.00 O ATOM 1018 CB ILE A 86 7.403 4.327 4.905 1.00 0.00 C ATOM 1019 CG1 ILE A 86 6.495 3.726 3.808 1.00 0.00 C ATOM 1020 CG2 ILE A 86 8.756 4.856 4.411 1.00 0.00 C ATOM 1021 CD1 ILE A 86 6.193 4.632 2.608 1.00 0.00 C ATOM 0 H ILE A 86 7.342 1.427 5.437 1.00 0.00 H new ATOM 0 HA ILE A 86 8.383 3.892 6.695 1.00 0.00 H new ATOM 0 HB ILE A 86 6.836 5.197 5.236 1.00 0.00 H new ATOM 0 HG12 ILE A 86 6.962 2.813 3.439 1.00 0.00 H new ATOM 0 HG13 ILE A 86 5.549 3.438 4.266 1.00 0.00 H new ATOM 0 HG21 ILE A 86 8.599 5.516 3.558 1.00 0.00 H new ATOM 0 HG22 ILE A 86 9.245 5.409 5.213 1.00 0.00 H new ATOM 0 HG23 ILE A 86 9.386 4.019 4.111 1.00 0.00 H new ATOM 0 HD11 ILE A 86 5.548 4.103 1.906 1.00 0.00 H new ATOM 0 HD12 ILE A 86 5.691 5.536 2.952 1.00 0.00 H new ATOM 0 HD13 ILE A 86 7.125 4.902 2.112 1.00 0.00 H new ATOM 1033 N LYS A 87 6.027 4.265 7.745 1.00 0.00 N ATOM 1034 CA LYS A 87 4.785 4.308 8.573 1.00 0.00 C ATOM 1035 C LYS A 87 3.474 4.320 7.724 1.00 0.00 C ATOM 1036 O LYS A 87 2.462 3.750 8.128 1.00 0.00 O ATOM 1037 CB LYS A 87 4.764 5.437 9.643 1.00 0.00 C ATOM 1038 CG LYS A 87 5.984 5.666 10.569 1.00 0.00 C ATOM 1039 CD LYS A 87 7.158 6.432 9.909 1.00 0.00 C ATOM 1040 CE LYS A 87 8.126 7.106 10.896 1.00 0.00 C ATOM 1041 NZ LYS A 87 7.552 8.359 11.431 1.00 0.00 N ATOM 0 H LYS A 87 6.606 5.102 7.810 1.00 0.00 H new ATOM 0 HA LYS A 87 4.813 3.366 9.121 1.00 0.00 H new ATOM 0 HB2 LYS A 87 4.578 6.374 9.118 1.00 0.00 H new ATOM 0 HB3 LYS A 87 3.902 5.255 10.285 1.00 0.00 H new ATOM 0 HG2 LYS A 87 5.657 6.218 11.450 1.00 0.00 H new ATOM 0 HG3 LYS A 87 6.347 4.699 10.916 1.00 0.00 H new ATOM 0 HD2 LYS A 87 7.722 5.737 9.286 1.00 0.00 H new ATOM 0 HD3 LYS A 87 6.749 7.194 9.246 1.00 0.00 H new ATOM 0 HE2 LYS A 87 8.347 6.424 11.717 1.00 0.00 H new ATOM 0 HE3 LYS A 87 9.071 7.319 10.396 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 8.308 8.934 11.855 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 7.102 8.892 10.659 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 6.841 8.133 12.156 1.00 0.00 H new ATOM 1054 N ALA A 88 3.523 4.933 6.526 1.00 0.00 N ATOM 1055 CA ALA A 88 2.467 4.829 5.512 1.00 0.00 C ATOM 1056 C ALA A 88 2.231 3.361 5.060 1.00 0.00 C ATOM 1057 O ALA A 88 1.067 3.007 4.852 1.00 0.00 O ATOM 1058 CB ALA A 88 2.897 5.710 4.329 1.00 0.00 C ATOM 0 H ALA A 88 4.306 5.519 6.236 1.00 0.00 H new ATOM 0 HA ALA A 88 1.517 5.166 5.927 1.00 0.00 H new ATOM 0 HB1 ALA A 88 2.139 5.664 3.547 1.00 0.00 H new ATOM 0 HB2 ALA A 88 3.010 6.741 4.665 1.00 0.00 H new ATOM 0 HB3 ALA A 88 3.848 5.351 3.935 1.00 0.00 H new ATOM 1064 N TRP A 89 3.282 2.506 4.920 1.00 0.00 N ATOM 1065 CA TRP A 89 3.032 1.077 4.656 1.00 0.00 C ATOM 1066 C TRP A 89 2.512 0.331 5.903 1.00 0.00 C ATOM 1067 O TRP A 89 1.588 -0.458 5.752 1.00 0.00 O ATOM 1068 CB TRP A 89 4.258 0.367 4.093 1.00 0.00 C ATOM 1069 CG TRP A 89 4.638 0.665 2.657 1.00 0.00 C ATOM 1070 CD1 TRP A 89 4.229 1.700 1.815 1.00 0.00 C ATOM 1071 CD2 TRP A 89 5.423 -0.141 1.905 1.00 0.00 C ATOM 1072 NE1 TRP A 89 4.689 1.505 0.497 1.00 0.00 N ATOM 1073 CE2 TRP A 89 5.420 0.333 0.579 1.00 0.00 C ATOM 1074 CE3 TRP A 89 6.192 -1.247 2.291 1.00 0.00 C ATOM 1075 CZ2 TRP A 89 6.141 -0.363 -0.416 1.00 0.00 C ATOM 1076 CZ3 TRP A 89 6.939 -1.898 1.314 1.00 0.00 C ATOM 1077 CH2 TRP A 89 6.906 -1.474 -0.026 1.00 0.00 C ATOM 0 H TRP A 89 4.264 2.773 4.983 1.00 0.00 H new ATOM 0 HA TRP A 89 2.250 1.052 3.897 1.00 0.00 H new ATOM 0 HB2 TRP A 89 5.111 0.615 4.725 1.00 0.00 H new ATOM 0 HB3 TRP A 89 4.096 -0.707 4.183 1.00 0.00 H new ATOM 0 HD1 TRP A 89 3.635 2.544 2.133 1.00 0.00 H new ATOM 0 HE1 TRP A 89 4.523 2.089 -0.323 1.00 0.00 H new ATOM 0 HE3 TRP A 89 6.205 -1.584 3.317 1.00 0.00 H new ATOM 0 HZ2 TRP A 89 6.105 -0.049 -1.449 1.00 0.00 H new ATOM 0 HZ3 TRP A 89 7.554 -2.742 1.589 1.00 0.00 H new ATOM 0 HH2 TRP A 89 7.478 -2.012 -0.768 1.00 0.00 H new ATOM 1088 N ASP A 90 3.068 0.543 7.109 1.00 0.00 N ATOM 1089 CA ASP A 90 2.489 -0.088 8.335 1.00 0.00 C ATOM 1090 C ASP A 90 0.989 0.269 8.611 1.00 0.00 C ATOM 1091 O ASP A 90 0.231 -0.602 9.038 1.00 0.00 O ATOM 1092 CB ASP A 90 3.387 0.167 9.578 1.00 0.00 C ATOM 1093 CG ASP A 90 4.887 -0.103 9.462 1.00 0.00 C ATOM 1094 OD1 ASP A 90 5.750 0.671 9.855 1.00 0.00 O ATOM 1095 OD2 ASP A 90 5.170 -1.287 8.862 1.00 0.00 O ATOM 0 H ASP A 90 3.890 1.124 7.272 1.00 0.00 H new ATOM 0 HA ASP A 90 2.479 -1.158 8.130 1.00 0.00 H new ATOM 0 HB2 ASP A 90 3.259 1.209 9.871 1.00 0.00 H new ATOM 0 HB3 ASP A 90 3.003 -0.443 10.395 1.00 0.00 H new ATOM 1101 N ILE A 91 0.548 1.504 8.312 1.00 0.00 N ATOM 1102 CA ILE A 91 -0.875 1.911 8.437 1.00 0.00 C ATOM 1103 C ILE A 91 -1.773 1.275 7.313 1.00 0.00 C ATOM 1104 O ILE A 91 -2.732 0.538 7.605 1.00 0.00 O ATOM 1105 CB ILE A 91 -0.942 3.466 8.699 1.00 0.00 C ATOM 1106 CG1 ILE A 91 -0.627 3.712 10.211 1.00 0.00 C ATOM 1107 CG2 ILE A 91 -2.324 4.063 8.342 1.00 0.00 C ATOM 1108 CD1 ILE A 91 -0.301 5.147 10.624 1.00 0.00 C ATOM 0 H ILE A 91 1.159 2.249 7.978 1.00 0.00 H new ATOM 0 HA ILE A 91 -1.355 1.484 9.318 1.00 0.00 H new ATOM 0 HB ILE A 91 -0.213 3.962 8.059 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -1.484 3.377 10.795 1.00 0.00 H new ATOM 0 HG13 ILE A 91 0.215 3.079 10.490 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -2.319 5.135 8.540 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -2.534 3.890 7.286 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -3.094 3.586 8.948 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -0.102 5.181 11.695 1.00 0.00 H new ATOM 0 HD12 ILE A 91 0.579 5.491 10.081 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -1.147 5.794 10.391 1.00 0.00 H new ATOM 1120 N ALA A 92 -1.451 1.531 6.031 1.00 0.00 N ATOM 1121 CA ALA A 92 -2.200 0.932 4.908 1.00 0.00 C ATOM 1122 C ALA A 92 -2.139 -0.628 4.806 1.00 0.00 C ATOM 1123 O ALA A 92 -3.157 -1.219 4.447 1.00 0.00 O ATOM 1124 CB ALA A 92 -1.780 1.679 3.646 1.00 0.00 C ATOM 0 H ALA A 92 -0.685 2.142 5.748 1.00 0.00 H new ATOM 0 HA ALA A 92 -3.268 1.064 5.080 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -2.310 1.269 2.787 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -2.023 2.736 3.751 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -0.706 1.566 3.497 1.00 0.00 H new ATOM 1130 N VAL A 93 -1.012 -1.303 5.135 1.00 0.00 N ATOM 1131 CA VAL A 93 -0.981 -2.800 5.219 1.00 0.00 C ATOM 1132 C VAL A 93 -1.834 -3.304 6.432 1.00 0.00 C ATOM 1133 O VAL A 93 -2.602 -4.242 6.231 1.00 0.00 O ATOM 1134 CB VAL A 93 0.466 -3.400 5.119 1.00 0.00 C ATOM 1135 CG1 VAL A 93 0.609 -4.863 5.586 1.00 0.00 C ATOM 1136 CG2 VAL A 93 0.999 -3.389 3.670 1.00 0.00 C ATOM 0 H VAL A 93 -0.121 -0.852 5.345 1.00 0.00 H new ATOM 0 HA VAL A 93 -1.466 -3.200 4.329 1.00 0.00 H new ATOM 0 HB VAL A 93 1.030 -2.748 5.786 1.00 0.00 H new ATOM 0 HG11 VAL A 93 1.646 -5.180 5.476 1.00 0.00 H new ATOM 0 HG12 VAL A 93 0.315 -4.941 6.633 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -0.032 -5.503 4.980 1.00 0.00 H new ATOM 0 HG21 VAL A 93 2.003 -3.813 3.648 1.00 0.00 H new ATOM 0 HG22 VAL A 93 0.341 -3.982 3.036 1.00 0.00 H new ATOM 0 HG23 VAL A 93 1.030 -2.364 3.302 1.00 0.00 H new ATOM 1146 N ALA A 94 -1.755 -2.709 7.645 1.00 0.00 N ATOM 1147 CA ALA A 94 -2.630 -3.084 8.789 1.00 0.00 C ATOM 1148 C ALA A 94 -4.167 -3.150 8.461 1.00 0.00 C ATOM 1149 O ALA A 94 -4.847 -4.067 8.922 1.00 0.00 O ATOM 1150 CB ALA A 94 -2.340 -2.138 9.967 1.00 0.00 C ATOM 0 H ALA A 94 -1.093 -1.964 7.861 1.00 0.00 H new ATOM 0 HA ALA A 94 -2.380 -4.112 9.052 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -2.976 -2.403 10.812 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -1.293 -2.229 10.258 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -2.545 -1.110 9.667 1.00 0.00 H new ATOM 1156 N THR A 95 -4.691 -2.208 7.648 1.00 0.00 N ATOM 1157 CA THR A 95 -6.125 -2.272 7.184 1.00 0.00 C ATOM 1158 C THR A 95 -6.394 -3.031 5.810 1.00 0.00 C ATOM 1159 O THR A 95 -7.532 -3.050 5.333 1.00 0.00 O ATOM 1160 CB THR A 95 -6.787 -0.859 7.230 1.00 0.00 C ATOM 1161 OG1 THR A 95 -6.202 0.034 6.293 1.00 0.00 O ATOM 1162 CG2 THR A 95 -6.758 -0.143 8.590 1.00 0.00 C ATOM 0 H THR A 95 -4.170 -1.405 7.297 1.00 0.00 H new ATOM 0 HA THR A 95 -6.618 -2.921 7.908 1.00 0.00 H new ATOM 0 HB THR A 95 -7.826 -1.089 6.992 1.00 0.00 H new ATOM 0 HG1 THR A 95 -6.645 0.906 6.352 1.00 0.00 H new ATOM 0 HG21 THR A 95 -7.246 0.828 8.501 1.00 0.00 H new ATOM 0 HG22 THR A 95 -7.284 -0.746 9.330 1.00 0.00 H new ATOM 0 HG23 THR A 95 -5.724 -0.002 8.905 1.00 0.00 H new ATOM 1170 N MET A 96 -5.397 -3.697 5.189 1.00 0.00 N ATOM 1171 CA MET A 96 -5.538 -4.448 3.897 1.00 0.00 C ATOM 1172 C MET A 96 -6.022 -5.939 4.096 1.00 0.00 C ATOM 1173 O MET A 96 -6.272 -6.359 5.221 1.00 0.00 O ATOM 1174 CB MET A 96 -4.138 -4.296 3.230 1.00 0.00 C ATOM 1175 CG MET A 96 -3.993 -4.570 1.723 1.00 0.00 C ATOM 1176 SD MET A 96 -2.339 -4.026 1.249 1.00 0.00 S ATOM 1177 CE MET A 96 -2.486 -3.999 -0.541 1.00 0.00 C ATOM 0 H MET A 96 -4.451 -3.736 5.568 1.00 0.00 H new ATOM 0 HA MET A 96 -6.325 -4.051 3.256 1.00 0.00 H new ATOM 0 HB2 MET A 96 -3.796 -3.277 3.413 1.00 0.00 H new ATOM 0 HB3 MET A 96 -3.451 -4.962 3.753 1.00 0.00 H new ATOM 0 HG2 MET A 96 -4.127 -5.630 1.508 1.00 0.00 H new ATOM 0 HG3 MET A 96 -4.754 -4.032 1.158 1.00 0.00 H new ATOM 0 HE1 MET A 96 -1.540 -3.681 -0.979 1.00 0.00 H new ATOM 0 HE2 MET A 96 -2.735 -4.997 -0.901 1.00 0.00 H new ATOM 0 HE3 MET A 96 -3.272 -3.302 -0.831 1.00 0.00 H new ATOM 1187 N LYS A 97 -6.194 -6.760 3.041 1.00 0.00 N ATOM 1188 CA LYS A 97 -6.664 -8.187 3.159 1.00 0.00 C ATOM 1189 C LYS A 97 -5.725 -9.217 2.430 1.00 0.00 C ATOM 1190 O LYS A 97 -4.886 -8.833 1.611 1.00 0.00 O ATOM 1191 CB LYS A 97 -8.175 -8.214 2.766 1.00 0.00 C ATOM 1192 CG LYS A 97 -8.934 -9.552 2.962 1.00 0.00 C ATOM 1193 CD LYS A 97 -10.476 -9.413 2.915 1.00 0.00 C ATOM 1194 CE LYS A 97 -11.184 -9.435 4.282 1.00 0.00 C ATOM 1195 NZ LYS A 97 -10.867 -8.240 5.090 1.00 0.00 N ATOM 0 H LYS A 97 -6.016 -6.470 2.079 1.00 0.00 H new ATOM 0 HA LYS A 97 -6.588 -8.543 4.186 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -8.688 -7.446 3.345 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -8.256 -7.930 1.717 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -8.619 -10.253 2.190 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -8.647 -9.984 3.921 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -10.724 -8.479 2.412 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -10.878 -10.221 2.304 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -12.262 -9.495 4.131 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -10.889 -10.331 4.829 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -11.364 -8.296 6.002 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -9.841 -8.196 5.257 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -11.172 -7.386 4.581 1.00 0.00 H new ATOM 1208 N VAL A 98 -5.888 -10.523 2.750 1.00 0.00 N ATOM 1209 CA VAL A 98 -5.076 -11.702 2.214 1.00 0.00 C ATOM 1210 C VAL A 98 -4.927 -11.925 0.629 1.00 0.00 C ATOM 1211 O VAL A 98 -4.766 -13.027 0.107 1.00 0.00 O ATOM 1212 CB VAL A 98 -5.728 -12.965 2.903 1.00 0.00 C ATOM 1213 CG1 VAL A 98 -5.182 -14.372 2.526 1.00 0.00 C ATOM 1214 CG2 VAL A 98 -5.537 -12.995 4.438 1.00 0.00 C ATOM 0 H VAL A 98 -6.607 -10.822 3.409 1.00 0.00 H new ATOM 0 HA VAL A 98 -4.034 -11.497 2.458 1.00 0.00 H new ATOM 0 HB VAL A 98 -6.747 -12.822 2.543 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -5.729 -15.135 3.080 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -5.311 -14.538 1.456 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -4.123 -14.431 2.777 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -6.009 -13.889 4.846 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -4.472 -13.008 4.672 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -5.995 -12.109 4.879 1.00 0.00 H new ATOM 1224 N GLY A 99 -4.924 -10.883 -0.175 1.00 0.00 N ATOM 1225 CA GLY A 99 -4.891 -10.944 -1.674 1.00 0.00 C ATOM 1226 C GLY A 99 -5.221 -9.590 -2.370 1.00 0.00 C ATOM 1227 O GLY A 99 -4.924 -9.408 -3.549 1.00 0.00 O ATOM 0 H GLY A 99 -4.945 -9.927 0.179 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -3.902 -11.273 -1.992 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -5.602 -11.698 -2.013 1.00 0.00 H new ATOM 1231 N GLU A 100 -5.844 -8.660 -1.626 1.00 0.00 N ATOM 1232 CA GLU A 100 -6.259 -7.309 -2.071 1.00 0.00 C ATOM 1233 C GLU A 100 -5.272 -6.433 -2.934 1.00 0.00 C ATOM 1234 O GLU A 100 -4.056 -6.407 -2.716 1.00 0.00 O ATOM 1235 CB GLU A 100 -6.587 -6.597 -0.724 1.00 0.00 C ATOM 1236 CG GLU A 100 -7.309 -5.233 -0.820 1.00 0.00 C ATOM 1237 CD GLU A 100 -7.607 -4.542 0.509 1.00 0.00 C ATOM 1238 OE1 GLU A 100 -7.293 -3.388 0.759 1.00 0.00 O ATOM 1239 OE2 GLU A 100 -8.279 -5.329 1.382 1.00 0.00 O ATOM 0 H GLU A 100 -6.086 -8.834 -0.650 1.00 0.00 H new ATOM 0 HA GLU A 100 -7.070 -7.426 -2.790 1.00 0.00 H new ATOM 0 HB2 GLU A 100 -7.204 -7.268 -0.126 1.00 0.00 H new ATOM 0 HB3 GLU A 100 -5.654 -6.451 -0.180 1.00 0.00 H new ATOM 0 HG2 GLU A 100 -6.700 -4.563 -1.427 1.00 0.00 H new ATOM 0 HG3 GLU A 100 -8.250 -5.378 -1.351 1.00 0.00 H new ATOM 1247 N LEU A 101 -5.850 -5.674 -3.886 1.00 0.00 N ATOM 1248 CA LEU A 101 -5.135 -4.687 -4.724 1.00 0.00 C ATOM 1249 C LEU A 101 -5.615 -3.244 -4.369 1.00 0.00 C ATOM 1250 O LEU A 101 -6.814 -2.942 -4.434 1.00 0.00 O ATOM 1251 CB LEU A 101 -5.264 -5.022 -6.236 1.00 0.00 C ATOM 1252 CG LEU A 101 -4.587 -4.048 -7.244 1.00 0.00 C ATOM 1253 CD1 LEU A 101 -3.072 -3.875 -7.032 1.00 0.00 C ATOM 1254 CD2 LEU A 101 -4.849 -4.520 -8.682 1.00 0.00 C ATOM 0 H LEU A 101 -6.846 -5.730 -4.099 1.00 0.00 H new ATOM 0 HA LEU A 101 -4.068 -4.737 -4.505 1.00 0.00 H new ATOM 0 HB2 LEU A 101 -4.849 -6.017 -6.398 1.00 0.00 H new ATOM 0 HB3 LEU A 101 -6.325 -5.076 -6.480 1.00 0.00 H new ATOM 0 HG LEU A 101 -5.037 -3.072 -7.064 1.00 0.00 H new ATOM 0 HD11 LEU A 101 -2.678 -3.181 -7.775 1.00 0.00 H new ATOM 0 HD12 LEU A 101 -2.887 -3.481 -6.033 1.00 0.00 H new ATOM 0 HD13 LEU A 101 -2.577 -4.840 -7.138 1.00 0.00 H new ATOM 0 HD21 LEU A 101 -4.373 -3.834 -9.383 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -4.438 -5.520 -8.817 1.00 0.00 H new ATOM 0 HD23 LEU A 101 -5.923 -4.541 -8.868 1.00 0.00 H new ATOM 1266 N CYS A 102 -4.675 -2.360 -3.992 1.00 0.00 N ATOM 1267 CA CYS A 102 -4.977 -0.939 -3.678 1.00 0.00 C ATOM 1268 C CYS A 102 -3.805 -0.009 -4.133 1.00 0.00 C ATOM 1269 O CYS A 102 -2.679 -0.474 -4.362 1.00 0.00 O ATOM 1270 CB CYS A 102 -5.114 -0.747 -2.143 1.00 0.00 C ATOM 1271 SG CYS A 102 -5.979 -2.097 -1.308 1.00 0.00 S ATOM 0 H CYS A 102 -3.689 -2.601 -3.895 1.00 0.00 H new ATOM 0 HA CYS A 102 -5.901 -0.685 -4.198 1.00 0.00 H new ATOM 0 HB2 CYS A 102 -4.119 -0.644 -1.710 1.00 0.00 H new ATOM 0 HB3 CYS A 102 -5.644 0.185 -1.950 1.00 0.00 H new ATOM 0 HG CYS A 102 -6.619 -1.630 -0.277 1.00 0.00 H new ATOM 1277 N ARG A 103 -4.018 1.322 -4.198 1.00 0.00 N ATOM 1278 CA ARG A 103 -2.942 2.275 -4.448 1.00 0.00 C ATOM 1279 C ARG A 103 -2.824 3.275 -3.266 1.00 0.00 C ATOM 1280 O ARG A 103 -3.737 4.021 -2.901 1.00 0.00 O ATOM 1281 CB ARG A 103 -2.980 2.917 -5.816 1.00 0.00 C ATOM 1282 CG ARG A 103 -4.174 3.752 -6.315 1.00 0.00 C ATOM 1283 CD ARG A 103 -3.993 4.294 -7.744 1.00 0.00 C ATOM 1284 NE ARG A 103 -4.270 3.231 -8.747 1.00 0.00 N ATOM 1285 CZ ARG A 103 -4.152 3.362 -10.061 1.00 0.00 C ATOM 1286 NH1 ARG A 103 -3.745 4.443 -10.658 1.00 0.00 N ATOM 1287 NH2 ARG A 103 -4.465 2.348 -10.787 1.00 0.00 N ATOM 0 H ARG A 103 -4.935 1.753 -4.079 1.00 0.00 H new ATOM 0 HA ARG A 103 -2.010 1.711 -4.485 1.00 0.00 H new ATOM 0 HB2 ARG A 103 -2.103 3.561 -5.881 1.00 0.00 H new ATOM 0 HB3 ARG A 103 -2.840 2.114 -6.539 1.00 0.00 H new ATOM 0 HG2 ARG A 103 -5.075 3.140 -6.279 1.00 0.00 H new ATOM 0 HG3 ARG A 103 -4.330 4.589 -5.635 1.00 0.00 H new ATOM 0 HD2 ARG A 103 -4.664 5.138 -7.906 1.00 0.00 H new ATOM 0 HD3 ARG A 103 -2.976 4.666 -7.872 1.00 0.00 H new ATOM 0 HE ARG A 103 -4.577 2.325 -8.394 1.00 0.00 H new ATOM 0 HH11 ARG A 103 -3.491 5.264 -10.109 1.00 0.00 H new ATOM 0 HH12 ARG A 103 -3.679 4.470 -11.676 1.00 0.00 H new ATOM 0 HH21 ARG A 103 -4.789 1.487 -10.347 1.00 0.00 H new ATOM 0 HH22 ARG A 103 -4.389 2.405 -11.803 1.00 0.00 H new ATOM 1300 N ILE A 104 -1.635 3.249 -2.689 1.00 0.00 N ATOM 1301 CA ILE A 104 -1.251 4.089 -1.520 1.00 0.00 C ATOM 1302 C ILE A 104 -0.939 5.577 -1.943 1.00 0.00 C ATOM 1303 O ILE A 104 -0.294 5.838 -2.963 1.00 0.00 O ATOM 1304 CB ILE A 104 -0.038 3.372 -0.781 1.00 0.00 C ATOM 1305 CG1 ILE A 104 -0.476 2.053 -0.062 1.00 0.00 C ATOM 1306 CG2 ILE A 104 0.752 4.307 0.164 1.00 0.00 C ATOM 1307 CD1 ILE A 104 0.396 1.483 1.091 1.00 0.00 C ATOM 0 H ILE A 104 -0.882 2.640 -3.010 1.00 0.00 H new ATOM 0 HA ILE A 104 -2.084 4.174 -0.822 1.00 0.00 H new ATOM 0 HB ILE A 104 0.657 3.094 -1.574 1.00 0.00 H new ATOM 0 HG12 ILE A 104 -1.478 2.215 0.336 1.00 0.00 H new ATOM 0 HG13 ILE A 104 -0.557 1.278 -0.824 1.00 0.00 H new ATOM 0 HG21 ILE A 104 1.563 3.750 0.633 1.00 0.00 H new ATOM 0 HG22 ILE A 104 1.165 5.138 -0.408 1.00 0.00 H new ATOM 0 HG23 ILE A 104 0.085 4.694 0.935 1.00 0.00 H new ATOM 0 HD11 ILE A 104 -0.057 0.568 1.472 1.00 0.00 H new ATOM 0 HD12 ILE A 104 1.396 1.264 0.717 1.00 0.00 H new ATOM 0 HD13 ILE A 104 0.462 2.217 1.894 1.00 0.00 H new ATOM 1319 N THR A 105 -1.360 6.544 -1.108 1.00 0.00 N ATOM 1320 CA THR A 105 -1.073 8.002 -1.318 1.00 0.00 C ATOM 1321 C THR A 105 -0.492 8.526 0.033 1.00 0.00 C ATOM 1322 O THR A 105 -1.244 8.591 1.014 1.00 0.00 O ATOM 1323 CB THR A 105 -2.363 8.721 -1.803 1.00 0.00 C ATOM 1324 OG1 THR A 105 -2.776 8.189 -3.057 1.00 0.00 O ATOM 1325 CG2 THR A 105 -2.217 10.234 -2.021 1.00 0.00 C ATOM 0 H THR A 105 -1.907 6.354 -0.268 1.00 0.00 H new ATOM 0 HA THR A 105 -0.340 8.198 -2.101 1.00 0.00 H new ATOM 0 HB THR A 105 -3.080 8.553 -1.000 1.00 0.00 H new ATOM 0 HG1 THR A 105 -3.590 8.646 -3.354 1.00 0.00 H new ATOM 0 HG21 THR A 105 -3.168 10.646 -2.358 1.00 0.00 H new ATOM 0 HG22 THR A 105 -1.927 10.710 -1.084 1.00 0.00 H new ATOM 0 HG23 THR A 105 -1.452 10.421 -2.775 1.00 0.00 H new ATOM 1333 N CYS A 106 0.822 8.855 0.088 1.00 0.00 N ATOM 1334 CA CYS A 106 1.507 9.244 1.365 1.00 0.00 C ATOM 1335 C CYS A 106 2.075 10.698 1.489 1.00 0.00 C ATOM 1336 O CYS A 106 2.594 11.288 0.538 1.00 0.00 O ATOM 1337 CB CYS A 106 2.680 8.263 1.695 1.00 0.00 C ATOM 1338 SG CYS A 106 2.706 6.702 0.757 1.00 0.00 S ATOM 0 H CYS A 106 1.434 8.862 -0.728 1.00 0.00 H new ATOM 0 HA CYS A 106 0.680 9.191 2.073 1.00 0.00 H new ATOM 0 HB2 CYS A 106 3.622 8.783 1.521 1.00 0.00 H new ATOM 0 HB3 CYS A 106 2.639 8.024 2.758 1.00 0.00 H new ATOM 0 HG CYS A 106 3.728 5.989 1.128 1.00 0.00 H new ATOM 1344 N LYS A 107 2.053 11.211 2.729 1.00 0.00 N ATOM 1345 CA LYS A 107 2.638 12.521 3.117 1.00 0.00 C ATOM 1346 C LYS A 107 4.049 12.314 3.795 1.00 0.00 C ATOM 1347 O LYS A 107 4.182 11.348 4.562 1.00 0.00 O ATOM 1348 CB LYS A 107 1.665 13.151 4.151 1.00 0.00 C ATOM 1349 CG LYS A 107 1.874 14.642 4.515 1.00 0.00 C ATOM 1350 CD LYS A 107 1.519 15.630 3.385 1.00 0.00 C ATOM 1351 CE LYS A 107 1.876 17.074 3.764 1.00 0.00 C ATOM 1352 NZ LYS A 107 1.443 17.994 2.696 1.00 0.00 N ATOM 0 H LYS A 107 1.620 10.722 3.513 1.00 0.00 H new ATOM 0 HA LYS A 107 2.771 13.158 2.242 1.00 0.00 H new ATOM 0 HB2 LYS A 107 0.650 13.037 3.770 1.00 0.00 H new ATOM 0 HB3 LYS A 107 1.728 12.569 5.070 1.00 0.00 H new ATOM 0 HG2 LYS A 107 1.269 14.878 5.391 1.00 0.00 H new ATOM 0 HG3 LYS A 107 2.916 14.792 4.798 1.00 0.00 H new ATOM 0 HD2 LYS A 107 2.051 15.350 2.476 1.00 0.00 H new ATOM 0 HD3 LYS A 107 0.454 15.564 3.164 1.00 0.00 H new ATOM 0 HE2 LYS A 107 1.395 17.342 4.704 1.00 0.00 H new ATOM 0 HE3 LYS A 107 2.951 17.163 3.919 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 1.687 18.970 2.958 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 1.922 17.744 1.807 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 0.414 17.917 2.568 1.00 0.00 H new ATOM 1365 N PRO A 108 5.085 13.201 3.659 1.00 0.00 N ATOM 1366 CA PRO A 108 6.410 13.028 4.336 1.00 0.00 C ATOM 1367 C PRO A 108 6.463 12.663 5.861 1.00 0.00 C ATOM 1368 O PRO A 108 7.430 12.035 6.282 1.00 0.00 O ATOM 1369 CB PRO A 108 7.155 14.325 3.969 1.00 0.00 C ATOM 1370 CG PRO A 108 6.590 14.661 2.600 1.00 0.00 C ATOM 1371 CD PRO A 108 5.107 14.302 2.674 1.00 0.00 C ATOM 0 HA PRO A 108 6.875 12.109 3.979 1.00 0.00 H new ATOM 0 HB2 PRO A 108 6.965 15.119 4.691 1.00 0.00 H new ATOM 0 HB3 PRO A 108 8.234 14.176 3.936 1.00 0.00 H new ATOM 0 HG2 PRO A 108 6.727 15.717 2.367 1.00 0.00 H new ATOM 0 HG3 PRO A 108 7.093 14.093 1.817 1.00 0.00 H new ATOM 0 HD2 PRO A 108 4.502 15.148 3.000 1.00 0.00 H new ATOM 0 HD3 PRO A 108 4.719 13.986 1.706 1.00 0.00 H new ATOM 1379 N GLU A 109 5.448 12.987 6.686 1.00 0.00 N ATOM 1380 CA GLU A 109 5.406 12.570 8.117 1.00 0.00 C ATOM 1381 C GLU A 109 5.383 11.023 8.377 1.00 0.00 C ATOM 1382 O GLU A 109 6.016 10.515 9.305 1.00 0.00 O ATOM 1383 CB GLU A 109 4.292 13.382 8.846 1.00 0.00 C ATOM 1384 CG GLU A 109 2.820 13.111 8.403 1.00 0.00 C ATOM 1385 CD GLU A 109 1.760 14.104 8.889 1.00 0.00 C ATOM 1386 OE1 GLU A 109 1.913 15.323 8.930 1.00 0.00 O ATOM 1387 OE2 GLU A 109 0.597 13.481 9.217 1.00 0.00 O ATOM 0 H GLU A 109 4.641 13.537 6.393 1.00 0.00 H new ATOM 0 HA GLU A 109 6.367 12.825 8.565 1.00 0.00 H new ATOM 0 HB2 GLU A 109 4.368 13.180 9.914 1.00 0.00 H new ATOM 0 HB3 GLU A 109 4.499 14.443 8.707 1.00 0.00 H new ATOM 0 HG2 GLU A 109 2.791 13.089 7.314 1.00 0.00 H new ATOM 0 HG3 GLU A 109 2.538 12.117 8.749 1.00 0.00 H new ATOM 1395 N TYR A 110 4.656 10.296 7.528 1.00 0.00 N ATOM 1396 CA TYR A 110 4.644 8.825 7.477 1.00 0.00 C ATOM 1397 C TYR A 110 5.671 8.204 6.467 1.00 0.00 C ATOM 1398 O TYR A 110 5.672 6.982 6.307 1.00 0.00 O ATOM 1399 CB TYR A 110 3.187 8.466 7.100 1.00 0.00 C ATOM 1400 CG TYR A 110 2.090 8.515 8.185 1.00 0.00 C ATOM 1401 CD1 TYR A 110 2.290 9.065 9.457 1.00 0.00 C ATOM 1402 CD2 TYR A 110 0.851 7.947 7.883 1.00 0.00 C ATOM 1403 CE1 TYR A 110 1.273 9.056 10.401 1.00 0.00 C ATOM 1404 CE2 TYR A 110 -0.182 7.965 8.820 1.00 0.00 C ATOM 1405 CZ TYR A 110 0.040 8.507 10.085 1.00 0.00 C ATOM 1406 OH TYR A 110 -0.928 8.481 11.050 1.00 0.00 O ATOM 0 H TYR A 110 4.040 10.722 6.835 1.00 0.00 H new ATOM 0 HA TYR A 110 4.957 8.408 8.434 1.00 0.00 H new ATOM 0 HB2 TYR A 110 2.882 9.136 6.296 1.00 0.00 H new ATOM 0 HB3 TYR A 110 3.195 7.457 6.688 1.00 0.00 H new ATOM 0 HD1 TYR A 110 3.246 9.501 9.706 1.00 0.00 H new ATOM 0 HD2 TYR A 110 0.691 7.491 6.917 1.00 0.00 H new ATOM 0 HE1 TYR A 110 1.442 9.476 11.381 1.00 0.00 H new ATOM 0 HE2 TYR A 110 -1.151 7.560 8.566 1.00 0.00 H new ATOM 0 HH TYR A 110 -1.740 8.069 10.688 1.00 0.00 H new ATOM 1416 N ALA A 111 6.530 9.004 5.805 1.00 0.00 N ATOM 1417 CA ALA A 111 7.483 8.495 4.786 1.00 0.00 C ATOM 1418 C ALA A 111 8.967 8.970 5.012 1.00 0.00 C ATOM 1419 O ALA A 111 9.635 8.426 5.893 1.00 0.00 O ATOM 1420 CB ALA A 111 6.839 8.891 3.438 1.00 0.00 C ATOM 0 H ALA A 111 6.587 10.011 5.956 1.00 0.00 H new ATOM 0 HA ALA A 111 7.622 7.415 4.837 1.00 0.00 H new ATOM 0 HB1 ALA A 111 7.475 8.555 2.619 1.00 0.00 H new ATOM 0 HB2 ALA A 111 5.858 8.423 3.352 1.00 0.00 H new ATOM 0 HB3 ALA A 111 6.729 9.974 3.392 1.00 0.00 H new ATOM 1426 N TYR A 112 9.494 9.939 4.225 1.00 0.00 N ATOM 1427 CA TYR A 112 10.928 10.431 4.373 1.00 0.00 C ATOM 1428 C TYR A 112 11.096 11.861 5.024 1.00 0.00 C ATOM 1429 O TYR A 112 12.241 12.277 5.230 1.00 0.00 O ATOM 1430 CB TYR A 112 11.838 10.135 3.108 1.00 0.00 C ATOM 1431 CG TYR A 112 11.757 8.651 2.678 1.00 0.00 C ATOM 1432 CD1 TYR A 112 12.373 7.678 3.476 1.00 0.00 C ATOM 1433 CD2 TYR A 112 10.968 8.243 1.601 1.00 0.00 C ATOM 1434 CE1 TYR A 112 12.205 6.323 3.201 1.00 0.00 C ATOM 1435 CE2 TYR A 112 10.808 6.884 1.320 1.00 0.00 C ATOM 1436 CZ TYR A 112 11.425 5.929 2.120 1.00 0.00 C ATOM 1437 OH TYR A 112 11.237 4.600 1.858 1.00 0.00 O ATOM 0 H TYR A 112 8.972 10.405 3.483 1.00 0.00 H new ATOM 0 HA TYR A 112 11.349 9.794 5.151 1.00 0.00 H new ATOM 0 HB2 TYR A 112 11.527 10.771 2.279 1.00 0.00 H new ATOM 0 HB3 TYR A 112 12.873 10.392 3.336 1.00 0.00 H new ATOM 0 HD1 TYR A 112 12.984 7.982 4.313 1.00 0.00 H new ATOM 0 HD2 TYR A 112 10.479 8.981 0.982 1.00 0.00 H new ATOM 0 HE1 TYR A 112 12.679 5.581 3.826 1.00 0.00 H new ATOM 0 HE2 TYR A 112 10.204 6.575 0.480 1.00 0.00 H new ATOM 0 HH TYR A 112 10.665 4.500 1.068 1.00 0.00 H new ATOM 1447 N GLY A 113 10.027 12.630 5.369 1.00 0.00 N ATOM 1448 CA GLY A 113 10.148 13.921 6.098 1.00 0.00 C ATOM 1449 C GLY A 113 10.894 15.090 5.431 1.00 0.00 C ATOM 1450 O GLY A 113 11.003 15.182 4.207 1.00 0.00 O ATOM 0 H GLY A 113 9.064 12.374 5.151 1.00 0.00 H new ATOM 0 HA2 GLY A 113 9.139 14.264 6.329 1.00 0.00 H new ATOM 0 HA3 GLY A 113 10.640 13.717 7.049 1.00 0.00 H new ATOM 1454 N SER A 114 11.419 15.985 6.274 1.00 0.00 N ATOM 1455 CA SER A 114 12.216 17.160 5.810 1.00 0.00 C ATOM 1456 C SER A 114 13.618 16.853 5.163 1.00 0.00 C ATOM 1457 O SER A 114 14.173 17.740 4.517 1.00 0.00 O ATOM 1458 CB SER A 114 12.362 18.144 6.997 1.00 0.00 C ATOM 1459 OG SER A 114 11.088 18.609 7.452 1.00 0.00 O ATOM 0 H SER A 114 11.314 15.931 7.287 1.00 0.00 H new ATOM 0 HA SER A 114 11.654 17.591 4.981 1.00 0.00 H new ATOM 0 HB2 SER A 114 12.885 17.652 7.817 1.00 0.00 H new ATOM 0 HB3 SER A 114 12.974 18.994 6.694 1.00 0.00 H new ATOM 0 HG SER A 114 11.214 19.227 8.202 1.00 0.00 H new ATOM 1465 N ALA A 115 14.189 15.644 5.322 1.00 0.00 N ATOM 1466 CA ALA A 115 15.504 15.263 4.736 1.00 0.00 C ATOM 1467 C ALA A 115 15.530 14.379 3.439 1.00 0.00 C ATOM 1468 O ALA A 115 16.480 14.522 2.664 1.00 0.00 O ATOM 1469 CB ALA A 115 16.294 14.600 5.881 1.00 0.00 C ATOM 0 H ALA A 115 13.755 14.895 5.862 1.00 0.00 H new ATOM 0 HA ALA A 115 15.945 16.182 4.349 1.00 0.00 H new ATOM 0 HB1 ALA A 115 17.275 14.295 5.517 1.00 0.00 H new ATOM 0 HB2 ALA A 115 16.415 15.311 6.698 1.00 0.00 H new ATOM 0 HB3 ALA A 115 15.751 13.725 6.239 1.00 0.00 H new ATOM 1475 N GLY A 116 14.556 13.482 3.180 1.00 0.00 N ATOM 1476 CA GLY A 116 14.584 12.582 2.005 1.00 0.00 C ATOM 1477 C GLY A 116 15.330 11.239 2.223 1.00 0.00 C ATOM 1478 O GLY A 116 15.989 11.034 3.249 1.00 0.00 O ATOM 0 H GLY A 116 13.735 13.360 3.772 1.00 0.00 H new ATOM 0 HA2 GLY A 116 13.558 12.366 1.708 1.00 0.00 H new ATOM 0 HA3 GLY A 116 15.052 13.109 1.174 1.00 0.00 H new ATOM 1482 N SER A 117 15.191 10.280 1.288 1.00 0.00 N ATOM 1483 CA SER A 117 15.900 8.973 1.406 1.00 0.00 C ATOM 1484 C SER A 117 17.197 9.050 0.514 1.00 0.00 C ATOM 1485 O SER A 117 17.027 9.227 -0.700 1.00 0.00 O ATOM 1486 CB SER A 117 14.997 7.781 1.013 1.00 0.00 C ATOM 1487 OG SER A 117 15.366 6.607 1.738 1.00 0.00 O ATOM 0 H SER A 117 14.609 10.373 0.456 1.00 0.00 H new ATOM 0 HA SER A 117 16.173 8.795 2.446 1.00 0.00 H new ATOM 0 HB2 SER A 117 13.954 8.026 1.215 1.00 0.00 H new ATOM 0 HB3 SER A 117 15.079 7.594 -0.058 1.00 0.00 H new ATOM 0 HG SER A 117 14.599 6.289 2.259 1.00 0.00 H new ATOM 1493 N PRO A 118 18.465 8.892 1.007 1.00 0.00 N ATOM 1494 CA PRO A 118 19.705 9.050 0.182 1.00 0.00 C ATOM 1495 C PRO A 118 19.818 8.572 -1.320 1.00 0.00 C ATOM 1496 O PRO A 118 20.408 9.339 -2.087 1.00 0.00 O ATOM 1497 CB PRO A 118 20.794 8.489 1.112 1.00 0.00 C ATOM 1498 CG PRO A 118 20.287 8.829 2.518 1.00 0.00 C ATOM 1499 CD PRO A 118 18.762 8.698 2.440 1.00 0.00 C ATOM 0 HA PRO A 118 19.771 10.102 -0.097 1.00 0.00 H new ATOM 0 HB2 PRO A 118 20.917 7.414 0.981 1.00 0.00 H new ATOM 0 HB3 PRO A 118 21.763 8.947 0.915 1.00 0.00 H new ATOM 0 HG2 PRO A 118 20.703 8.149 3.261 1.00 0.00 H new ATOM 0 HG3 PRO A 118 20.581 9.837 2.809 1.00 0.00 H new ATOM 0 HD2 PRO A 118 18.426 7.722 2.790 1.00 0.00 H new ATOM 0 HD3 PRO A 118 18.264 9.446 3.057 1.00 0.00 H new ATOM 1507 N PRO A 119 19.314 7.402 -1.821 1.00 0.00 N ATOM 1508 CA PRO A 119 19.441 7.021 -3.262 1.00 0.00 C ATOM 1509 C PRO A 119 18.738 7.893 -4.368 1.00 0.00 C ATOM 1510 O PRO A 119 19.226 7.920 -5.500 1.00 0.00 O ATOM 1511 CB PRO A 119 18.919 5.567 -3.267 1.00 0.00 C ATOM 1512 CG PRO A 119 19.068 5.078 -1.825 1.00 0.00 C ATOM 1513 CD PRO A 119 18.768 6.317 -0.984 1.00 0.00 C ATOM 0 HA PRO A 119 20.475 7.179 -3.568 1.00 0.00 H new ATOM 0 HB2 PRO A 119 17.879 5.524 -3.591 1.00 0.00 H new ATOM 0 HB3 PRO A 119 19.493 4.946 -3.954 1.00 0.00 H new ATOM 0 HG2 PRO A 119 18.373 4.268 -1.604 1.00 0.00 H new ATOM 0 HG3 PRO A 119 20.072 4.699 -1.633 1.00 0.00 H new ATOM 0 HD2 PRO A 119 17.700 6.439 -0.806 1.00 0.00 H new ATOM 0 HD3 PRO A 119 19.251 6.273 -0.008 1.00 0.00 H new ATOM 1521 N LYS A 120 17.588 8.543 -4.087 1.00 0.00 N ATOM 1522 CA LYS A 120 16.835 9.368 -5.094 1.00 0.00 C ATOM 1523 C LYS A 120 15.821 10.436 -4.525 1.00 0.00 C ATOM 1524 O LYS A 120 15.550 11.451 -5.176 1.00 0.00 O ATOM 1525 CB LYS A 120 16.121 8.393 -6.096 1.00 0.00 C ATOM 1526 CG LYS A 120 15.281 8.995 -7.251 1.00 0.00 C ATOM 1527 CD LYS A 120 16.086 9.866 -8.241 1.00 0.00 C ATOM 1528 CE LYS A 120 15.218 10.597 -9.279 1.00 0.00 C ATOM 1529 NZ LYS A 120 14.511 11.739 -8.662 1.00 0.00 N ATOM 0 H LYS A 120 17.147 8.520 -3.168 1.00 0.00 H new ATOM 0 HA LYS A 120 17.584 9.988 -5.586 1.00 0.00 H new ATOM 0 HB2 LYS A 120 16.887 7.758 -6.541 1.00 0.00 H new ATOM 0 HB3 LYS A 120 15.466 7.744 -5.515 1.00 0.00 H new ATOM 0 HG2 LYS A 120 14.809 8.182 -7.803 1.00 0.00 H new ATOM 0 HG3 LYS A 120 14.479 9.598 -6.825 1.00 0.00 H new ATOM 0 HD2 LYS A 120 16.659 10.603 -7.678 1.00 0.00 H new ATOM 0 HD3 LYS A 120 16.805 9.235 -8.763 1.00 0.00 H new ATOM 0 HE2 LYS A 120 15.844 10.951 -10.098 1.00 0.00 H new ATOM 0 HE3 LYS A 120 14.494 9.904 -9.707 1.00 0.00 H new ATOM 0 HZ1 LYS A 120 13.931 12.218 -9.381 1.00 0.00 H new ATOM 0 HZ2 LYS A 120 13.898 11.395 -7.896 1.00 0.00 H new ATOM 0 HZ3 LYS A 120 15.206 12.409 -8.275 1.00 0.00 H new ATOM 1542 N ILE A 121 15.251 10.222 -3.336 1.00 0.00 N ATOM 1543 CA ILE A 121 14.197 11.070 -2.725 1.00 0.00 C ATOM 1544 C ILE A 121 14.799 12.372 -2.053 1.00 0.00 C ATOM 1545 O ILE A 121 15.634 12.226 -1.154 1.00 0.00 O ATOM 1546 CB ILE A 121 13.438 10.104 -1.752 1.00 0.00 C ATOM 1547 CG1 ILE A 121 12.675 8.983 -2.529 1.00 0.00 C ATOM 1548 CG2 ILE A 121 12.453 10.829 -0.800 1.00 0.00 C ATOM 1549 CD1 ILE A 121 12.617 7.637 -1.811 1.00 0.00 C ATOM 0 H ILE A 121 15.511 9.432 -2.745 1.00 0.00 H new ATOM 0 HA ILE A 121 13.502 11.490 -3.452 1.00 0.00 H new ATOM 0 HB ILE A 121 14.219 9.656 -1.137 1.00 0.00 H new ATOM 0 HG12 ILE A 121 11.657 9.321 -2.721 1.00 0.00 H new ATOM 0 HG13 ILE A 121 13.152 8.842 -3.499 1.00 0.00 H new ATOM 0 HG21 ILE A 121 11.964 10.098 -0.156 1.00 0.00 H new ATOM 0 HG22 ILE A 121 13.000 11.544 -0.186 1.00 0.00 H new ATOM 0 HG23 ILE A 121 11.701 11.356 -1.387 1.00 0.00 H new ATOM 0 HD11 ILE A 121 12.069 6.921 -2.424 1.00 0.00 H new ATOM 0 HD12 ILE A 121 13.630 7.270 -1.643 1.00 0.00 H new ATOM 0 HD13 ILE A 121 12.111 7.757 -0.853 1.00 0.00 H new ATOM 1561 N PRO A 122 14.383 13.635 -2.384 1.00 0.00 N ATOM 1562 CA PRO A 122 14.985 14.862 -1.794 1.00 0.00 C ATOM 1563 C PRO A 122 14.230 15.476 -0.544 1.00 0.00 C ATOM 1564 O PRO A 122 13.181 14.950 -0.148 1.00 0.00 O ATOM 1565 CB PRO A 122 14.955 15.758 -3.054 1.00 0.00 C ATOM 1566 CG PRO A 122 13.657 15.403 -3.786 1.00 0.00 C ATOM 1567 CD PRO A 122 13.401 13.937 -3.439 1.00 0.00 C ATOM 0 HA PRO A 122 15.962 14.707 -1.336 1.00 0.00 H new ATOM 0 HB2 PRO A 122 14.976 16.814 -2.784 1.00 0.00 H new ATOM 0 HB3 PRO A 122 15.824 15.574 -3.686 1.00 0.00 H new ATOM 0 HG2 PRO A 122 12.833 16.037 -3.459 1.00 0.00 H new ATOM 0 HG3 PRO A 122 13.759 15.543 -4.862 1.00 0.00 H new ATOM 0 HD2 PRO A 122 12.381 13.784 -3.088 1.00 0.00 H new ATOM 0 HD3 PRO A 122 13.539 13.293 -4.307 1.00 0.00 H new ATOM 1575 N PRO A 123 14.718 16.585 0.097 1.00 0.00 N ATOM 1576 CA PRO A 123 14.035 17.241 1.253 1.00 0.00 C ATOM 1577 C PRO A 123 12.529 17.650 1.081 1.00 0.00 C ATOM 1578 O PRO A 123 12.177 18.392 0.159 1.00 0.00 O ATOM 1579 CB PRO A 123 14.934 18.476 1.470 1.00 0.00 C ATOM 1580 CG PRO A 123 16.334 17.983 1.116 1.00 0.00 C ATOM 1581 CD PRO A 123 16.091 17.103 -0.107 1.00 0.00 C ATOM 0 HA PRO A 123 13.945 16.543 2.086 1.00 0.00 H new ATOM 0 HB2 PRO A 123 14.631 19.307 0.833 1.00 0.00 H new ATOM 0 HB3 PRO A 123 14.884 18.829 2.500 1.00 0.00 H new ATOM 0 HG2 PRO A 123 17.008 18.810 0.891 1.00 0.00 H new ATOM 0 HG3 PRO A 123 16.783 17.421 1.935 1.00 0.00 H new ATOM 0 HD2 PRO A 123 16.170 17.674 -1.032 1.00 0.00 H new ATOM 0 HD3 PRO A 123 16.819 16.294 -0.169 1.00 0.00 H new ATOM 1589 N ASN A 124 11.647 17.185 1.992 1.00 0.00 N ATOM 1590 CA ASN A 124 10.176 17.476 1.992 1.00 0.00 C ATOM 1591 C ASN A 124 9.441 17.077 0.644 1.00 0.00 C ATOM 1592 O ASN A 124 8.874 17.944 -0.031 1.00 0.00 O ATOM 1593 CB ASN A 124 9.998 18.945 2.470 1.00 0.00 C ATOM 1594 CG ASN A 124 8.573 19.347 2.839 1.00 0.00 C ATOM 1595 OD1 ASN A 124 8.060 19.016 3.900 1.00 0.00 O ATOM 1596 ND2 ASN A 124 7.880 20.054 1.988 1.00 0.00 N ATOM 0 H ASN A 124 11.931 16.585 2.767 1.00 0.00 H new ATOM 0 HA ASN A 124 9.653 16.828 2.696 1.00 0.00 H new ATOM 0 HB2 ASN A 124 10.639 19.107 3.337 1.00 0.00 H new ATOM 0 HB3 ASN A 124 10.352 19.610 1.683 1.00 0.00 H new ATOM 0 HD21 ASN A 124 6.922 20.325 2.211 1.00 0.00 H new ATOM 0 HD22 ASN A 124 8.297 20.336 1.101 1.00 0.00 H new ATOM 1603 N ALA A 125 9.415 15.782 0.253 1.00 0.00 N ATOM 1604 CA ALA A 125 8.821 15.344 -1.041 1.00 0.00 C ATOM 1605 C ALA A 125 7.693 14.280 -0.849 1.00 0.00 C ATOM 1606 O ALA A 125 7.923 13.216 -0.266 1.00 0.00 O ATOM 1607 CB ALA A 125 10.006 14.819 -1.869 1.00 0.00 C ATOM 0 H ALA A 125 9.797 15.019 0.812 1.00 0.00 H new ATOM 0 HA ALA A 125 8.317 16.165 -1.552 1.00 0.00 H new ATOM 0 HB1 ALA A 125 9.648 14.477 -2.840 1.00 0.00 H new ATOM 0 HB2 ALA A 125 10.733 15.619 -2.012 1.00 0.00 H new ATOM 0 HB3 ALA A 125 10.478 13.989 -1.343 1.00 0.00 H new ATOM 1613 N THR A 126 6.474 14.554 -1.353 1.00 0.00 N ATOM 1614 CA THR A 126 5.297 13.637 -1.194 1.00 0.00 C ATOM 1615 C THR A 126 5.461 12.264 -1.985 1.00 0.00 C ATOM 1616 O THR A 126 6.267 12.192 -2.920 1.00 0.00 O ATOM 1617 CB THR A 126 4.022 14.486 -1.533 1.00 0.00 C ATOM 1618 OG1 THR A 126 3.897 15.573 -0.621 1.00 0.00 O ATOM 1619 CG2 THR A 126 2.657 13.795 -1.468 1.00 0.00 C ATOM 0 H THR A 126 6.265 15.403 -1.878 1.00 0.00 H new ATOM 0 HA THR A 126 5.204 13.274 -0.171 1.00 0.00 H new ATOM 0 HB THR A 126 4.215 14.751 -2.573 1.00 0.00 H new ATOM 0 HG1 THR A 126 3.099 16.097 -0.843 1.00 0.00 H new ATOM 0 HG21 THR A 126 1.875 14.509 -1.728 1.00 0.00 H new ATOM 0 HG22 THR A 126 2.637 12.963 -2.172 1.00 0.00 H new ATOM 0 HG23 THR A 126 2.486 13.421 -0.459 1.00 0.00 H new ATOM 1627 N LEU A 127 4.735 11.171 -1.645 1.00 0.00 N ATOM 1628 CA LEU A 127 4.929 9.835 -2.291 1.00 0.00 C ATOM 1629 C LEU A 127 3.610 9.100 -2.710 1.00 0.00 C ATOM 1630 O LEU A 127 2.512 9.363 -2.210 1.00 0.00 O ATOM 1631 CB LEU A 127 5.618 8.917 -1.223 1.00 0.00 C ATOM 1632 CG LEU A 127 7.128 9.064 -0.947 1.00 0.00 C ATOM 1633 CD1 LEU A 127 7.562 7.930 -0.014 1.00 0.00 C ATOM 1634 CD2 LEU A 127 7.920 8.948 -2.251 1.00 0.00 C ATOM 0 H LEU A 127 4.009 11.181 -0.929 1.00 0.00 H new ATOM 0 HA LEU A 127 5.502 10.009 -3.202 1.00 0.00 H new ATOM 0 HB2 LEU A 127 5.098 9.071 -0.278 1.00 0.00 H new ATOM 0 HB3 LEU A 127 5.441 7.883 -1.520 1.00 0.00 H new ATOM 0 HG LEU A 127 7.318 10.038 -0.496 1.00 0.00 H new ATOM 0 HD11 LEU A 127 8.629 8.017 0.193 1.00 0.00 H new ATOM 0 HD12 LEU A 127 7.005 7.994 0.920 1.00 0.00 H new ATOM 0 HD13 LEU A 127 7.362 6.970 -0.490 1.00 0.00 H new ATOM 0 HD21 LEU A 127 8.984 9.054 -2.041 1.00 0.00 H new ATOM 0 HD22 LEU A 127 7.735 7.974 -2.704 1.00 0.00 H new ATOM 0 HD23 LEU A 127 7.606 9.734 -2.938 1.00 0.00 H new ATOM 1646 N VAL A 128 3.769 8.079 -3.569 1.00 0.00 N ATOM 1647 CA VAL A 128 2.685 7.175 -4.010 1.00 0.00 C ATOM 1648 C VAL A 128 3.265 5.744 -4.299 1.00 0.00 C ATOM 1649 O VAL A 128 4.350 5.599 -4.875 1.00 0.00 O ATOM 1650 CB VAL A 128 1.937 7.706 -5.274 1.00 0.00 C ATOM 1651 CG1 VAL A 128 0.939 8.854 -5.027 1.00 0.00 C ATOM 1652 CG2 VAL A 128 2.798 8.028 -6.509 1.00 0.00 C ATOM 0 H VAL A 128 4.671 7.852 -3.986 1.00 0.00 H new ATOM 0 HA VAL A 128 1.958 7.128 -3.199 1.00 0.00 H new ATOM 0 HB VAL A 128 1.367 6.810 -5.518 1.00 0.00 H new ATOM 0 HG11 VAL A 128 0.478 9.144 -5.971 1.00 0.00 H new ATOM 0 HG12 VAL A 128 0.167 8.522 -4.333 1.00 0.00 H new ATOM 0 HG13 VAL A 128 1.466 9.709 -4.603 1.00 0.00 H new ATOM 0 HG21 VAL A 128 2.158 8.387 -7.315 1.00 0.00 H new ATOM 0 HG22 VAL A 128 3.526 8.798 -6.254 1.00 0.00 H new ATOM 0 HG23 VAL A 128 3.320 7.128 -6.833 1.00 0.00 H new ATOM 1662 N PHE A 129 2.546 4.675 -3.923 1.00 0.00 N ATOM 1663 CA PHE A 129 2.983 3.278 -4.258 1.00 0.00 C ATOM 1664 C PHE A 129 1.730 2.404 -4.572 1.00 0.00 C ATOM 1665 O PHE A 129 0.808 2.316 -3.761 1.00 0.00 O ATOM 1666 CB PHE A 129 3.928 2.549 -3.266 1.00 0.00 C ATOM 1667 CG PHE A 129 5.051 3.258 -2.503 1.00 0.00 C ATOM 1668 CD1 PHE A 129 4.741 4.211 -1.534 1.00 0.00 C ATOM 1669 CD2 PHE A 129 6.374 2.833 -2.640 1.00 0.00 C ATOM 1670 CE1 PHE A 129 5.749 4.796 -0.775 1.00 0.00 C ATOM 1671 CE2 PHE A 129 7.380 3.381 -1.852 1.00 0.00 C ATOM 1672 CZ PHE A 129 7.068 4.366 -0.924 1.00 0.00 C ATOM 0 H PHE A 129 1.674 4.730 -3.397 1.00 0.00 H new ATOM 0 HA PHE A 129 3.624 3.410 -5.130 1.00 0.00 H new ATOM 0 HB2 PHE A 129 3.288 2.087 -2.514 1.00 0.00 H new ATOM 0 HB3 PHE A 129 4.398 1.740 -3.826 1.00 0.00 H new ATOM 0 HD1 PHE A 129 3.712 4.497 -1.372 1.00 0.00 H new ATOM 0 HD2 PHE A 129 6.618 2.071 -3.365 1.00 0.00 H new ATOM 0 HE1 PHE A 129 5.511 5.581 -0.072 1.00 0.00 H new ATOM 0 HE2 PHE A 129 8.400 3.042 -1.961 1.00 0.00 H new ATOM 0 HZ PHE A 129 7.848 4.800 -0.316 1.00 0.00 H new ATOM 1682 N GLU A 130 1.674 1.734 -5.728 1.00 0.00 N ATOM 1683 CA GLU A 130 0.562 0.790 -6.026 1.00 0.00 C ATOM 1684 C GLU A 130 1.012 -0.582 -5.458 1.00 0.00 C ATOM 1685 O GLU A 130 2.051 -1.103 -5.883 1.00 0.00 O ATOM 1686 CB GLU A 130 0.194 0.685 -7.515 1.00 0.00 C ATOM 1687 CG GLU A 130 -0.321 1.935 -8.271 1.00 0.00 C ATOM 1688 CD GLU A 130 -0.763 1.664 -9.705 1.00 0.00 C ATOM 1689 OE1 GLU A 130 -0.240 2.166 -10.694 1.00 0.00 O ATOM 1690 OE2 GLU A 130 -1.818 0.809 -9.767 1.00 0.00 O ATOM 0 H GLU A 130 2.369 1.817 -6.470 1.00 0.00 H new ATOM 0 HA GLU A 130 -0.355 1.156 -5.564 1.00 0.00 H new ATOM 0 HB2 GLU A 130 1.077 0.326 -8.044 1.00 0.00 H new ATOM 0 HB3 GLU A 130 -0.569 -0.088 -7.608 1.00 0.00 H new ATOM 0 HG2 GLU A 130 -1.160 2.359 -7.719 1.00 0.00 H new ATOM 0 HG3 GLU A 130 0.467 2.688 -8.282 1.00 0.00 H new ATOM 1698 N VAL A 131 0.279 -1.147 -4.488 1.00 0.00 N ATOM 1699 CA VAL A 131 0.754 -2.370 -3.794 1.00 0.00 C ATOM 1700 C VAL A 131 -0.316 -3.499 -3.816 1.00 0.00 C ATOM 1701 O VAL A 131 -1.516 -3.271 -3.623 1.00 0.00 O ATOM 1702 CB VAL A 131 1.184 -2.011 -2.323 1.00 0.00 C ATOM 1703 CG1 VAL A 131 2.031 -3.151 -1.708 1.00 0.00 C ATOM 1704 CG2 VAL A 131 2.004 -0.710 -2.109 1.00 0.00 C ATOM 0 H VAL A 131 -0.623 -0.794 -4.167 1.00 0.00 H new ATOM 0 HA VAL A 131 1.622 -2.756 -4.329 1.00 0.00 H new ATOM 0 HB VAL A 131 0.218 -1.858 -1.842 1.00 0.00 H new ATOM 0 HG11 VAL A 131 2.318 -2.883 -0.691 1.00 0.00 H new ATOM 0 HG12 VAL A 131 1.445 -4.070 -1.690 1.00 0.00 H new ATOM 0 HG13 VAL A 131 2.927 -3.304 -2.310 1.00 0.00 H new ATOM 0 HG21 VAL A 131 2.229 -0.592 -1.049 1.00 0.00 H new ATOM 0 HG22 VAL A 131 2.935 -0.770 -2.673 1.00 0.00 H new ATOM 0 HG23 VAL A 131 1.425 0.146 -2.455 1.00 0.00 H new ATOM 1714 N GLU A 132 0.157 -4.734 -4.035 1.00 0.00 N ATOM 1715 CA GLU A 132 -0.701 -5.942 -3.945 1.00 0.00 C ATOM 1716 C GLU A 132 -0.169 -6.815 -2.786 1.00 0.00 C ATOM 1717 O GLU A 132 1.011 -7.168 -2.735 1.00 0.00 O ATOM 1718 CB GLU A 132 -0.774 -6.704 -5.284 1.00 0.00 C ATOM 1719 CG GLU A 132 -1.922 -7.748 -5.366 1.00 0.00 C ATOM 1720 CD GLU A 132 -2.152 -8.325 -6.757 1.00 0.00 C ATOM 1721 OE1 GLU A 132 -1.792 -9.443 -7.112 1.00 0.00 O ATOM 1722 OE2 GLU A 132 -2.834 -7.469 -7.563 1.00 0.00 O ATOM 0 H GLU A 132 1.128 -4.931 -4.276 1.00 0.00 H new ATOM 0 HA GLU A 132 -1.731 -5.653 -3.734 1.00 0.00 H new ATOM 0 HB2 GLU A 132 -0.896 -5.983 -6.092 1.00 0.00 H new ATOM 0 HB3 GLU A 132 0.176 -7.212 -5.451 1.00 0.00 H new ATOM 0 HG2 GLU A 132 -1.703 -8.565 -4.679 1.00 0.00 H new ATOM 0 HG3 GLU A 132 -2.845 -7.282 -5.022 1.00 0.00 H new ATOM 1730 N LEU A 133 -1.048 -7.131 -1.843 1.00 0.00 N ATOM 1731 CA LEU A 133 -0.683 -7.957 -0.664 1.00 0.00 C ATOM 1732 C LEU A 133 -1.242 -9.395 -0.838 1.00 0.00 C ATOM 1733 O LEU A 133 -2.442 -9.629 -0.727 1.00 0.00 O ATOM 1734 CB LEU A 133 -1.196 -7.258 0.619 1.00 0.00 C ATOM 1735 CG LEU A 133 -0.873 -7.980 1.950 1.00 0.00 C ATOM 1736 CD1 LEU A 133 0.623 -8.083 2.252 1.00 0.00 C ATOM 1737 CD2 LEU A 133 -1.529 -7.229 3.112 1.00 0.00 C ATOM 0 H LEU A 133 -2.024 -6.835 -1.858 1.00 0.00 H new ATOM 0 HA LEU A 133 0.399 -8.051 -0.575 1.00 0.00 H new ATOM 0 HB2 LEU A 133 -0.772 -6.255 0.659 1.00 0.00 H new ATOM 0 HB3 LEU A 133 -2.277 -7.144 0.541 1.00 0.00 H new ATOM 0 HG LEU A 133 -1.261 -8.993 1.840 1.00 0.00 H new ATOM 0 HD11 LEU A 133 0.768 -8.601 3.200 1.00 0.00 H new ATOM 0 HD12 LEU A 133 1.118 -8.639 1.455 1.00 0.00 H new ATOM 0 HD13 LEU A 133 1.051 -7.083 2.316 1.00 0.00 H new ATOM 0 HD21 LEU A 133 -1.301 -7.738 4.049 1.00 0.00 H new ATOM 0 HD22 LEU A 133 -1.144 -6.210 3.150 1.00 0.00 H new ATOM 0 HD23 LEU A 133 -2.609 -7.204 2.966 1.00 0.00 H new ATOM 1749 N PHE A 134 -0.343 -10.349 -1.050 1.00 0.00 N ATOM 1750 CA PHE A 134 -0.686 -11.773 -1.305 1.00 0.00 C ATOM 1751 C PHE A 134 -1.069 -12.662 -0.079 1.00 0.00 C ATOM 1752 O PHE A 134 -1.963 -13.503 -0.161 1.00 0.00 O ATOM 1753 CB PHE A 134 0.534 -12.428 -2.023 1.00 0.00 C ATOM 1754 CG PHE A 134 0.926 -11.873 -3.400 1.00 0.00 C ATOM 1755 CD1 PHE A 134 0.069 -12.015 -4.498 1.00 0.00 C ATOM 1756 CD2 PHE A 134 2.133 -11.183 -3.555 1.00 0.00 C ATOM 1757 CE1 PHE A 134 0.407 -11.457 -5.726 1.00 0.00 C ATOM 1758 CE2 PHE A 134 2.473 -10.639 -4.786 1.00 0.00 C ATOM 1759 CZ PHE A 134 1.604 -10.766 -5.869 1.00 0.00 C ATOM 0 H PHE A 134 0.661 -10.170 -1.053 1.00 0.00 H new ATOM 0 HA PHE A 134 -1.601 -11.736 -1.896 1.00 0.00 H new ATOM 0 HB2 PHE A 134 1.399 -12.339 -1.366 1.00 0.00 H new ATOM 0 HB3 PHE A 134 0.327 -13.492 -2.135 1.00 0.00 H new ATOM 0 HD1 PHE A 134 -0.857 -12.560 -4.391 1.00 0.00 H new ATOM 0 HD2 PHE A 134 2.802 -11.073 -2.714 1.00 0.00 H new ATOM 0 HE1 PHE A 134 -0.261 -11.561 -6.568 1.00 0.00 H new ATOM 0 HE2 PHE A 134 3.411 -10.117 -4.905 1.00 0.00 H new ATOM 0 HZ PHE A 134 1.862 -10.326 -6.821 1.00 0.00 H new ATOM 1769 N GLU A 135 -0.307 -12.535 1.010 1.00 0.00 N ATOM 1770 CA GLU A 135 -0.438 -13.370 2.231 1.00 0.00 C ATOM 1771 C GLU A 135 0.476 -12.793 3.360 1.00 0.00 C ATOM 1772 O GLU A 135 1.443 -12.052 3.139 1.00 0.00 O ATOM 1773 CB GLU A 135 -0.089 -14.869 1.935 1.00 0.00 C ATOM 1774 CG GLU A 135 1.325 -15.181 1.365 1.00 0.00 C ATOM 1775 CD GLU A 135 1.547 -16.657 1.063 1.00 0.00 C ATOM 1776 OE1 GLU A 135 1.201 -17.198 0.019 1.00 0.00 O ATOM 1777 OE2 GLU A 135 2.124 -17.315 2.104 1.00 0.00 O ATOM 0 H GLU A 135 0.435 -11.839 1.080 1.00 0.00 H new ATOM 0 HA GLU A 135 -1.475 -13.341 2.565 1.00 0.00 H new ATOM 0 HB2 GLU A 135 -0.209 -15.431 2.861 1.00 0.00 H new ATOM 0 HB3 GLU A 135 -0.827 -15.253 1.231 1.00 0.00 H new ATOM 0 HG2 GLU A 135 1.475 -14.605 0.452 1.00 0.00 H new ATOM 0 HG3 GLU A 135 2.078 -14.847 2.079 1.00 0.00 H new ATOM 1785 N PHE A 136 0.156 -13.160 4.600 1.00 0.00 N ATOM 1786 CA PHE A 136 0.886 -12.686 5.809 1.00 0.00 C ATOM 1787 C PHE A 136 0.719 -13.808 6.882 1.00 0.00 C ATOM 1788 O PHE A 136 1.461 -14.795 6.878 1.00 0.00 O ATOM 1789 CB PHE A 136 0.507 -11.189 6.151 1.00 0.00 C ATOM 1790 CG PHE A 136 -0.967 -10.764 6.022 1.00 0.00 C ATOM 1791 CD1 PHE A 136 -1.909 -10.996 7.026 1.00 0.00 C ATOM 1792 CD2 PHE A 136 -1.399 -10.298 4.775 1.00 0.00 C ATOM 1793 CE1 PHE A 136 -3.270 -10.870 6.752 1.00 0.00 C ATOM 1794 CE2 PHE A 136 -2.748 -10.135 4.514 1.00 0.00 C ATOM 1795 CZ PHE A 136 -3.680 -10.435 5.495 1.00 0.00 C ATOM 0 H PHE A 136 -0.615 -13.794 4.811 1.00 0.00 H new ATOM 0 HA PHE A 136 1.963 -12.570 5.691 1.00 0.00 H new ATOM 0 HB2 PHE A 136 0.822 -10.992 7.176 1.00 0.00 H new ATOM 0 HB3 PHE A 136 1.098 -10.540 5.505 1.00 0.00 H new ATOM 0 HD1 PHE A 136 -1.582 -11.274 8.017 1.00 0.00 H new ATOM 0 HD2 PHE A 136 -0.673 -10.064 4.010 1.00 0.00 H new ATOM 0 HE1 PHE A 136 -4.001 -11.108 7.510 1.00 0.00 H new ATOM 0 HE2 PHE A 136 -3.074 -9.775 3.549 1.00 0.00 H new ATOM 0 HZ PHE A 136 -4.734 -10.330 5.282 1.00 0.00 H new ATOM 1805 N LYS A 137 -0.287 -13.698 7.751 1.00 0.00 N ATOM 1806 CA LYS A 137 -0.656 -14.738 8.739 1.00 0.00 C ATOM 1807 C LYS A 137 -1.983 -15.417 8.239 1.00 0.00 C ATOM 1808 O LYS A 137 -3.092 -14.985 8.566 1.00 0.00 O ATOM 1809 CB LYS A 137 -0.768 -14.054 10.126 1.00 0.00 C ATOM 1810 CG LYS A 137 -0.774 -15.060 11.292 1.00 0.00 C ATOM 1811 CD LYS A 137 0.597 -15.636 11.714 1.00 0.00 C ATOM 1812 CE LYS A 137 1.544 -14.602 12.347 1.00 0.00 C ATOM 1813 NZ LYS A 137 2.787 -15.260 12.791 1.00 0.00 N ATOM 0 H LYS A 137 -0.885 -12.873 7.797 1.00 0.00 H new ATOM 0 HA LYS A 137 0.086 -15.530 8.840 1.00 0.00 H new ATOM 0 HB2 LYS A 137 0.066 -13.363 10.253 1.00 0.00 H new ATOM 0 HB3 LYS A 137 -1.682 -13.461 10.160 1.00 0.00 H new ATOM 0 HG2 LYS A 137 -1.221 -14.574 12.159 1.00 0.00 H new ATOM 0 HG3 LYS A 137 -1.425 -15.892 11.022 1.00 0.00 H new ATOM 0 HD2 LYS A 137 0.435 -16.447 12.424 1.00 0.00 H new ATOM 0 HD3 LYS A 137 1.082 -16.069 10.839 1.00 0.00 H new ATOM 0 HE2 LYS A 137 1.775 -13.819 11.625 1.00 0.00 H new ATOM 0 HE3 LYS A 137 1.056 -14.120 13.194 1.00 0.00 H new ATOM 0 HZ1 LYS A 137 3.420 -14.554 13.217 1.00 0.00 H new ATOM 0 HZ2 LYS A 137 2.560 -15.991 13.495 1.00 0.00 H new ATOM 0 HZ3 LYS A 137 3.258 -15.699 11.974 1.00 0.00 H new ATOM 1826 N GLY A 138 -1.849 -16.478 7.425 1.00 0.00 N ATOM 1827 CA GLY A 138 -3.012 -17.190 6.808 1.00 0.00 C ATOM 1828 C GLY A 138 -3.098 -17.010 5.263 1.00 0.00 C ATOM 1829 O GLY A 138 -3.701 -16.026 4.834 1.00 0.00 O ATOM 0 H GLY A 138 -0.944 -16.874 7.170 1.00 0.00 H new ATOM 0 HA2 GLY A 138 -2.942 -18.253 7.039 1.00 0.00 H new ATOM 0 HA3 GLY A 138 -3.934 -16.825 7.261 1.00 0.00 H new