USER MOD reduce.3.24.130724 H: found=0, std=0, add=485, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 488 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 78 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 81 SER OG : rot 32:sc= 0.269 USER MOD Set 2.1: A 17 GLN : amide:sc= -2.74 K(o=-2.2,f=-1.1!) USER MOD Set 2.2: A 73 TYR OH : rot 62:sc= 0.587 USER MOD Single : A 15 ASN : amide:sc= -1.31 X(o=-1.3,f=-0.85) USER MOD Single : A 19 LYS NZ :NH3+ -164:sc= -0.0144 (180deg=-0.408) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 GLN : amide:sc= -0.0297 X(o=-0.03,f=0) USER MOD Single : A 48 ASN : amide:sc= -2.83! C(o=-2.8!,f=-4.3!) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 ASN : amide:sc= -2.3! C(o=-2.3!,f=-5!) USER MOD Single : A 79 GLN : amide:sc= -0.0136 X(o=-0.014,f=0) USER MOD Single : A 87 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 SER OG : rot 51:sc= 0.0638 USER MOD Single : A 95 GLN : amide:sc=-0.00116 X(o=-0.0012,f=0) USER MOD ----------------------------------------------------------------- ATOM 144 N LEU A 13 -3.844 19.457 10.055 1.00 0.00 N ATOM 145 CA LEU A 13 -3.365 18.798 8.852 1.00 0.00 C ATOM 146 C LEU A 13 -4.454 17.865 8.318 1.00 0.00 C ATOM 147 O LEU A 13 -5.062 17.115 9.080 1.00 0.00 O ATOM 148 CB LEU A 13 -2.032 18.096 9.121 1.00 0.00 C ATOM 149 CG LEU A 13 -2.038 16.572 8.988 1.00 0.00 C ATOM 150 CD1 LEU A 13 -1.907 16.149 7.523 1.00 0.00 C ATOM 151 CD2 LEU A 13 -0.955 15.941 9.865 1.00 0.00 C ATOM 0 HA LEU A 13 -3.162 19.531 8.071 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -1.287 18.498 8.434 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -1.706 18.352 10.129 1.00 0.00 H new ATOM 0 HG LEU A 13 -2.999 16.202 9.346 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -1.914 15.061 7.456 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -2.743 16.553 6.952 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -0.971 16.531 7.116 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -0.981 14.857 9.752 1.00 0.00 H new ATOM 0 HD22 LEU A 13 0.023 16.314 9.561 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -1.134 16.201 10.908 1.00 0.00 H new ATOM 163 N PRO A 14 -4.672 17.945 6.978 1.00 0.00 N ATOM 164 CA PRO A 14 -5.678 17.117 6.334 1.00 0.00 C ATOM 165 C PRO A 14 -5.196 15.671 6.204 1.00 0.00 C ATOM 166 O PRO A 14 -3.997 15.419 6.101 1.00 0.00 O ATOM 167 CB PRO A 14 -5.931 17.781 4.990 1.00 0.00 C ATOM 168 CG PRO A 14 -4.733 18.682 4.738 1.00 0.00 C ATOM 169 CD PRO A 14 -3.971 18.822 6.045 1.00 0.00 C ATOM 0 HA PRO A 14 -6.600 17.050 6.911 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -6.033 17.037 4.200 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -6.856 18.357 5.007 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -4.092 18.257 3.966 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -5.059 19.659 4.380 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -2.929 18.525 5.929 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -3.972 19.854 6.395 1.00 0.00 H new ATOM 177 N ASN A 15 -6.156 14.758 6.213 1.00 0.00 N ATOM 178 CA ASN A 15 -5.845 13.343 6.098 1.00 0.00 C ATOM 179 C ASN A 15 -6.955 12.644 5.310 1.00 0.00 C ATOM 180 O ASN A 15 -8.079 13.139 5.242 1.00 0.00 O ATOM 181 CB ASN A 15 -5.757 12.685 7.476 1.00 0.00 C ATOM 182 CG ASN A 15 -5.263 13.679 8.529 1.00 0.00 C ATOM 183 OD1 ASN A 15 -4.116 13.662 8.946 1.00 0.00 O ATOM 184 ND2 ASN A 15 -6.188 14.544 8.933 1.00 0.00 N ATOM 0 H ASN A 15 -7.150 14.971 6.298 1.00 0.00 H new ATOM 0 HA ASN A 15 -4.884 13.249 5.591 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -6.736 12.303 7.763 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -5.081 11.831 7.432 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -5.956 15.249 9.633 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -7.130 14.503 8.543 1.00 0.00 H new ATOM 191 N ARG A 16 -6.600 11.505 4.735 1.00 0.00 N ATOM 192 CA ARG A 16 -7.552 10.733 3.954 1.00 0.00 C ATOM 193 C ARG A 16 -7.241 9.239 4.065 1.00 0.00 C ATOM 194 O ARG A 16 -6.080 8.837 4.008 1.00 0.00 O ATOM 195 CB ARG A 16 -7.520 11.146 2.481 1.00 0.00 C ATOM 196 CG ARG A 16 -8.669 10.498 1.705 1.00 0.00 C ATOM 197 CD ARG A 16 -10.007 11.149 2.061 1.00 0.00 C ATOM 198 NE ARG A 16 -10.150 12.436 1.344 1.00 0.00 N ATOM 199 CZ ARG A 16 -11.125 13.324 1.583 1.00 0.00 C ATOM 200 NH1 ARG A 16 -12.047 13.071 2.521 1.00 0.00 N ATOM 201 NH2 ARG A 16 -11.177 14.466 0.883 1.00 0.00 N ATOM 0 H ARG A 16 -5.667 11.098 4.794 1.00 0.00 H new ATOM 0 HA ARG A 16 -8.547 10.931 4.353 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -7.589 12.231 2.402 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -6.567 10.855 2.038 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -8.488 10.592 0.634 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -8.708 9.432 1.929 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -10.827 10.482 1.796 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -10.066 11.314 3.137 1.00 0.00 H new ATOM 0 HE ARG A 16 -9.464 12.661 0.623 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -12.007 12.202 3.054 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -12.789 13.747 2.702 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -10.475 14.659 0.169 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -11.919 15.142 1.065 1.00 0.00 H new ATOM 215 N GLN A 17 -8.299 8.457 4.221 1.00 0.00 N ATOM 216 CA GLN A 17 -8.154 7.016 4.340 1.00 0.00 C ATOM 217 C GLN A 17 -9.000 6.308 3.281 1.00 0.00 C ATOM 218 O GLN A 17 -10.102 6.752 2.962 1.00 0.00 O ATOM 219 CB GLN A 17 -8.527 6.542 5.746 1.00 0.00 C ATOM 220 CG GLN A 17 -7.814 5.233 6.090 1.00 0.00 C ATOM 221 CD GLN A 17 -8.505 4.522 7.256 1.00 0.00 C ATOM 222 OE1 GLN A 17 -8.124 4.647 8.408 1.00 0.00 O ATOM 223 NE2 GLN A 17 -9.540 3.769 6.893 1.00 0.00 N ATOM 0 H GLN A 17 -9.261 8.794 4.268 1.00 0.00 H new ATOM 0 HA GLN A 17 -7.108 6.761 4.171 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -8.261 7.308 6.474 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -9.606 6.401 5.812 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -7.803 4.581 5.217 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -6.775 5.438 6.348 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -9.807 3.708 5.910 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -10.067 3.253 7.597 1.00 0.00 H new ATOM 232 N LEU A 18 -8.453 5.217 2.764 1.00 0.00 N ATOM 233 CA LEU A 18 -9.143 4.443 1.746 1.00 0.00 C ATOM 234 C LEU A 18 -8.951 2.952 2.028 1.00 0.00 C ATOM 235 O LEU A 18 -7.991 2.560 2.690 1.00 0.00 O ATOM 236 CB LEU A 18 -8.689 4.869 0.349 1.00 0.00 C ATOM 237 CG LEU A 18 -8.788 6.363 0.037 1.00 0.00 C ATOM 238 CD1 LEU A 18 -7.624 6.817 -0.846 1.00 0.00 C ATOM 239 CD2 LEU A 18 -10.145 6.706 -0.581 1.00 0.00 C ATOM 0 H LEU A 18 -7.539 4.851 3.031 1.00 0.00 H new ATOM 0 HA LEU A 18 -10.215 4.638 1.780 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -7.653 4.558 0.215 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -9.282 4.325 -0.386 1.00 0.00 H new ATOM 0 HG LEU A 18 -8.714 6.913 0.975 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -7.719 7.883 -1.053 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -6.682 6.629 -0.331 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -7.641 6.262 -1.784 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -10.189 7.774 -0.793 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -10.275 6.147 -1.507 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -10.940 6.442 0.117 1.00 0.00 H new ATOM 251 N LYS A 19 -9.879 2.160 1.512 1.00 0.00 N ATOM 252 CA LYS A 19 -9.824 0.720 1.700 1.00 0.00 C ATOM 253 C LYS A 19 -9.769 0.034 0.334 1.00 0.00 C ATOM 254 O LYS A 19 -10.544 0.364 -0.563 1.00 0.00 O ATOM 255 CB LYS A 19 -10.984 0.249 2.579 1.00 0.00 C ATOM 256 CG LYS A 19 -12.324 0.435 1.864 1.00 0.00 C ATOM 257 CD LYS A 19 -12.758 -0.856 1.167 1.00 0.00 C ATOM 258 CE LYS A 19 -13.913 -0.595 0.198 1.00 0.00 C ATOM 259 NZ LYS A 19 -14.959 0.225 0.848 1.00 0.00 N ATOM 0 H LYS A 19 -10.674 2.488 0.963 1.00 0.00 H new ATOM 0 HA LYS A 19 -8.916 0.440 2.235 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -10.847 -0.802 2.836 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -10.986 0.808 3.515 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -13.085 0.738 2.583 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -12.241 1.238 1.131 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -11.914 -1.282 0.625 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -13.063 -1.591 1.912 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -13.542 -0.084 -0.690 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -14.339 -1.542 -0.133 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -15.838 0.169 0.295 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -15.132 -0.131 1.810 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -14.643 1.215 0.897 1.00 0.00 H new ATOM 273 N VAL A 20 -8.846 -0.909 0.217 1.00 0.00 N ATOM 274 CA VAL A 20 -8.680 -1.645 -1.024 1.00 0.00 C ATOM 275 C VAL A 20 -9.241 -3.059 -0.854 1.00 0.00 C ATOM 276 O VAL A 20 -8.793 -3.807 0.013 1.00 0.00 O ATOM 277 CB VAL A 20 -7.209 -1.633 -1.448 1.00 0.00 C ATOM 278 CG1 VAL A 20 -7.026 -2.299 -2.813 1.00 0.00 C ATOM 279 CG2 VAL A 20 -6.653 -0.208 -1.454 1.00 0.00 C ATOM 0 H VAL A 20 -8.205 -1.180 0.962 1.00 0.00 H new ATOM 0 HA VAL A 20 -9.240 -1.167 -1.828 1.00 0.00 H new ATOM 0 HB VAL A 20 -6.644 -2.210 -0.716 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -5.972 -2.277 -3.090 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -7.366 -3.333 -2.762 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -7.609 -1.762 -3.561 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -5.607 -0.227 -1.759 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -7.224 0.402 -2.154 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -6.732 0.218 -0.454 1.00 0.00 H new ATOM 289 N LYS A 21 -10.213 -3.380 -1.694 1.00 0.00 N ATOM 290 CA LYS A 21 -10.840 -4.690 -1.647 1.00 0.00 C ATOM 291 C LYS A 21 -9.942 -5.706 -2.357 1.00 0.00 C ATOM 292 O LYS A 21 -10.156 -6.017 -3.528 1.00 0.00 O ATOM 293 CB LYS A 21 -12.260 -4.625 -2.211 1.00 0.00 C ATOM 294 CG LYS A 21 -13.300 -4.766 -1.097 1.00 0.00 C ATOM 295 CD LYS A 21 -14.697 -4.996 -1.677 1.00 0.00 C ATOM 296 CE LYS A 21 -15.616 -5.655 -0.647 1.00 0.00 C ATOM 297 NZ LYS A 21 -17.001 -5.153 -0.791 1.00 0.00 N ATOM 0 H LYS A 21 -10.582 -2.756 -2.411 1.00 0.00 H new ATOM 0 HA LYS A 21 -10.947 -5.024 -0.615 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -12.405 -3.678 -2.731 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -12.400 -5.418 -2.946 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -13.031 -5.598 -0.447 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -13.302 -3.867 -0.480 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -15.124 -4.045 -1.995 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -14.627 -5.626 -2.564 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -15.600 -6.737 -0.776 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -15.251 -5.449 0.359 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -17.611 -5.611 -0.084 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -17.014 -4.123 -0.645 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -17.352 -5.372 -1.745 1.00 0.00 H new ATOM 311 N VAL A 22 -8.957 -6.195 -1.619 1.00 0.00 N ATOM 312 CA VAL A 22 -8.026 -7.169 -2.163 1.00 0.00 C ATOM 313 C VAL A 22 -8.722 -8.527 -2.272 1.00 0.00 C ATOM 314 O VAL A 22 -9.922 -8.636 -2.023 1.00 0.00 O ATOM 315 CB VAL A 22 -6.757 -7.214 -1.309 1.00 0.00 C ATOM 316 CG1 VAL A 22 -6.168 -5.814 -1.129 1.00 0.00 C ATOM 317 CG2 VAL A 22 -7.030 -7.873 0.045 1.00 0.00 C ATOM 0 H VAL A 22 -8.783 -5.935 -0.648 1.00 0.00 H new ATOM 0 HA VAL A 22 -7.715 -6.881 -3.167 1.00 0.00 H new ATOM 0 HB VAL A 22 -6.021 -7.822 -1.835 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -5.267 -5.874 -0.518 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -5.918 -5.396 -2.104 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -6.898 -5.173 -0.636 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -6.112 -7.892 0.632 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -7.791 -7.304 0.580 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -7.382 -8.893 -0.111 1.00 0.00 H new ATOM 643 N GLN A 44 6.911 0.189 -1.095 1.00 0.00 N ATOM 644 CA GLN A 44 7.444 0.988 -0.005 1.00 0.00 C ATOM 645 C GLN A 44 8.365 2.082 -0.549 1.00 0.00 C ATOM 646 O GLN A 44 8.337 3.216 -0.073 1.00 0.00 O ATOM 647 CB GLN A 44 8.176 0.110 1.012 1.00 0.00 C ATOM 648 CG GLN A 44 7.758 0.461 2.441 1.00 0.00 C ATOM 649 CD GLN A 44 6.509 -0.321 2.855 1.00 0.00 C ATOM 650 OE1 GLN A 44 6.578 -1.435 3.347 1.00 0.00 O ATOM 651 NE2 GLN A 44 5.368 0.322 2.627 1.00 0.00 N ATOM 0 HA GLN A 44 6.611 1.466 0.510 1.00 0.00 H new ATOM 0 HB2 GLN A 44 7.960 -0.940 0.814 1.00 0.00 H new ATOM 0 HB3 GLN A 44 9.253 0.240 0.902 1.00 0.00 H new ATOM 0 HG2 GLN A 44 8.575 0.239 3.128 1.00 0.00 H new ATOM 0 HG3 GLN A 44 7.562 1.531 2.514 1.00 0.00 H new ATOM 0 HE21 GLN A 44 5.382 1.254 2.212 1.00 0.00 H new ATOM 0 HE22 GLN A 44 4.479 -0.116 2.867 1.00 0.00 H new ATOM 660 N GLU A 45 9.159 1.703 -1.540 1.00 0.00 N ATOM 661 CA GLU A 45 10.086 2.638 -2.154 1.00 0.00 C ATOM 662 C GLU A 45 9.322 3.702 -2.945 1.00 0.00 C ATOM 663 O GLU A 45 9.373 4.884 -2.611 1.00 0.00 O ATOM 664 CB GLU A 45 11.090 1.907 -3.047 1.00 0.00 C ATOM 665 CG GLU A 45 11.908 2.897 -3.879 1.00 0.00 C ATOM 666 CD GLU A 45 13.015 2.180 -4.654 1.00 0.00 C ATOM 667 OE1 GLU A 45 12.672 1.215 -5.371 1.00 0.00 O ATOM 668 OE2 GLU A 45 14.179 2.612 -4.512 1.00 0.00 O ATOM 0 H GLU A 45 9.179 0.762 -1.933 1.00 0.00 H new ATOM 0 HA GLU A 45 10.647 3.135 -1.363 1.00 0.00 H new ATOM 0 HB2 GLU A 45 11.758 1.305 -2.431 1.00 0.00 H new ATOM 0 HB3 GLU A 45 10.561 1.221 -3.708 1.00 0.00 H new ATOM 0 HG2 GLU A 45 11.253 3.421 -4.575 1.00 0.00 H new ATOM 0 HG3 GLU A 45 12.347 3.651 -3.225 1.00 0.00 H new ATOM 675 N ALA A 46 8.632 3.243 -3.979 1.00 0.00 N ATOM 676 CA ALA A 46 7.859 4.140 -4.820 1.00 0.00 C ATOM 677 C ALA A 46 7.158 5.179 -3.942 1.00 0.00 C ATOM 678 O ALA A 46 7.410 6.376 -4.069 1.00 0.00 O ATOM 679 CB ALA A 46 6.872 3.328 -5.662 1.00 0.00 C ATOM 0 H ALA A 46 8.592 2.261 -4.253 1.00 0.00 H new ATOM 0 HA ALA A 46 8.511 4.676 -5.509 1.00 0.00 H new ATOM 0 HB1 ALA A 46 6.292 4.001 -6.293 1.00 0.00 H new ATOM 0 HB2 ALA A 46 7.421 2.626 -6.289 1.00 0.00 H new ATOM 0 HB3 ALA A 46 6.199 2.778 -5.004 1.00 0.00 H new ATOM 685 N ILE A 47 6.293 4.682 -3.070 1.00 0.00 N ATOM 686 CA ILE A 47 5.555 5.553 -2.170 1.00 0.00 C ATOM 687 C ILE A 47 6.539 6.428 -1.392 1.00 0.00 C ATOM 688 O ILE A 47 6.362 7.642 -1.308 1.00 0.00 O ATOM 689 CB ILE A 47 4.622 4.732 -1.277 1.00 0.00 C ATOM 690 CG1 ILE A 47 3.382 4.277 -2.049 1.00 0.00 C ATOM 691 CG2 ILE A 47 4.256 5.507 -0.009 1.00 0.00 C ATOM 692 CD1 ILE A 47 2.913 2.901 -1.572 1.00 0.00 C ATOM 0 H ILE A 47 6.087 3.688 -2.967 1.00 0.00 H new ATOM 0 HA ILE A 47 4.909 6.225 -2.735 1.00 0.00 H new ATOM 0 HB ILE A 47 5.153 3.833 -0.964 1.00 0.00 H new ATOM 0 HG12 ILE A 47 2.581 5.004 -1.918 1.00 0.00 H new ATOM 0 HG13 ILE A 47 3.607 4.239 -3.115 1.00 0.00 H new ATOM 0 HG21 ILE A 47 3.592 4.902 0.608 1.00 0.00 H new ATOM 0 HG22 ILE A 47 5.162 5.738 0.551 1.00 0.00 H new ATOM 0 HG23 ILE A 47 3.752 6.434 -0.282 1.00 0.00 H new ATOM 0 HD11 ILE A 47 2.030 2.601 -2.137 1.00 0.00 H new ATOM 0 HD12 ILE A 47 3.708 2.172 -1.727 1.00 0.00 H new ATOM 0 HD13 ILE A 47 2.666 2.948 -0.511 1.00 0.00 H new ATOM 704 N ASN A 48 7.554 5.777 -0.843 1.00 0.00 N ATOM 705 CA ASN A 48 8.567 6.482 -0.075 1.00 0.00 C ATOM 706 C ASN A 48 9.144 7.618 -0.921 1.00 0.00 C ATOM 707 O ASN A 48 9.500 8.671 -0.393 1.00 0.00 O ATOM 708 CB ASN A 48 9.716 5.547 0.309 1.00 0.00 C ATOM 709 CG ASN A 48 9.434 4.849 1.641 1.00 0.00 C ATOM 710 OD1 ASN A 48 8.706 5.341 2.487 1.00 0.00 O ATOM 711 ND2 ASN A 48 10.049 3.678 1.778 1.00 0.00 N ATOM 0 H ASN A 48 7.697 4.770 -0.914 1.00 0.00 H new ATOM 0 HA ASN A 48 8.097 6.867 0.830 1.00 0.00 H new ATOM 0 HB2 ASN A 48 9.859 4.801 -0.473 1.00 0.00 H new ATOM 0 HB3 ASN A 48 10.643 6.115 0.381 1.00 0.00 H new ATOM 0 HD21 ASN A 48 9.925 3.133 2.631 1.00 0.00 H new ATOM 0 HD22 ASN A 48 10.645 3.324 1.030 1.00 0.00 H new ATOM 718 N ASP A 49 9.218 7.368 -2.220 1.00 0.00 N ATOM 719 CA ASP A 49 9.746 8.357 -3.144 1.00 0.00 C ATOM 720 C ASP A 49 8.684 9.430 -3.397 1.00 0.00 C ATOM 721 O ASP A 49 9.014 10.588 -3.649 1.00 0.00 O ATOM 722 CB ASP A 49 10.104 7.720 -4.488 1.00 0.00 C ATOM 723 CG ASP A 49 11.487 8.085 -5.029 1.00 0.00 C ATOM 724 OD1 ASP A 49 12.451 7.980 -4.239 1.00 0.00 O ATOM 725 OD2 ASP A 49 11.551 8.460 -6.219 1.00 0.00 O ATOM 0 H ASP A 49 8.921 6.494 -2.655 1.00 0.00 H new ATOM 0 HA ASP A 49 10.643 8.789 -2.700 1.00 0.00 H new ATOM 0 HB2 ASP A 49 10.045 6.636 -4.387 1.00 0.00 H new ATOM 0 HB3 ASP A 49 9.354 8.013 -5.223 1.00 0.00 H new ATOM 730 N LEU A 50 7.431 9.006 -3.321 1.00 0.00 N ATOM 731 CA LEU A 50 6.319 9.916 -3.538 1.00 0.00 C ATOM 732 C LEU A 50 6.146 10.806 -2.306 1.00 0.00 C ATOM 733 O LEU A 50 5.985 12.020 -2.430 1.00 0.00 O ATOM 734 CB LEU A 50 5.057 9.139 -3.918 1.00 0.00 C ATOM 735 CG LEU A 50 4.838 8.905 -5.414 1.00 0.00 C ATOM 736 CD1 LEU A 50 3.914 7.709 -5.652 1.00 0.00 C ATOM 737 CD2 LEU A 50 4.322 10.173 -6.097 1.00 0.00 C ATOM 0 H LEU A 50 7.161 8.045 -3.112 1.00 0.00 H new ATOM 0 HA LEU A 50 6.525 10.575 -4.381 1.00 0.00 H new ATOM 0 HB2 LEU A 50 5.087 8.170 -3.420 1.00 0.00 H new ATOM 0 HB3 LEU A 50 4.193 9.674 -3.524 1.00 0.00 H new ATOM 0 HG LEU A 50 5.800 8.664 -5.867 1.00 0.00 H new ATOM 0 HD11 LEU A 50 3.775 7.564 -6.723 1.00 0.00 H new ATOM 0 HD12 LEU A 50 4.360 6.813 -5.220 1.00 0.00 H new ATOM 0 HD13 LEU A 50 2.948 7.896 -5.183 1.00 0.00 H new ATOM 0 HD21 LEU A 50 4.175 9.980 -7.160 1.00 0.00 H new ATOM 0 HD22 LEU A 50 3.374 10.469 -5.647 1.00 0.00 H new ATOM 0 HD23 LEU A 50 5.049 10.975 -5.972 1.00 0.00 H new ATOM 749 N VAL A 51 6.184 10.169 -1.145 1.00 0.00 N ATOM 750 CA VAL A 51 6.033 10.889 0.109 1.00 0.00 C ATOM 751 C VAL A 51 6.966 12.102 0.111 1.00 0.00 C ATOM 752 O VAL A 51 6.689 13.100 0.774 1.00 0.00 O ATOM 753 CB VAL A 51 6.279 9.944 1.287 1.00 0.00 C ATOM 754 CG1 VAL A 51 6.332 10.716 2.607 1.00 0.00 C ATOM 755 CG2 VAL A 51 5.217 8.843 1.337 1.00 0.00 C ATOM 0 H VAL A 51 6.317 9.163 -1.046 1.00 0.00 H new ATOM 0 HA VAL A 51 5.014 11.262 0.215 1.00 0.00 H new ATOM 0 HB VAL A 51 7.248 9.468 1.139 1.00 0.00 H new ATOM 0 HG11 VAL A 51 6.508 10.021 3.428 1.00 0.00 H new ATOM 0 HG12 VAL A 51 7.141 11.446 2.570 1.00 0.00 H new ATOM 0 HG13 VAL A 51 5.385 11.232 2.765 1.00 0.00 H new ATOM 0 HG21 VAL A 51 5.415 8.185 2.183 1.00 0.00 H new ATOM 0 HG22 VAL A 51 4.231 9.293 1.450 1.00 0.00 H new ATOM 0 HG23 VAL A 51 5.248 8.265 0.413 1.00 0.00 H new ATOM 765 N LYS A 52 8.051 11.975 -0.638 1.00 0.00 N ATOM 766 CA LYS A 52 9.026 13.049 -0.731 1.00 0.00 C ATOM 767 C LYS A 52 8.552 14.075 -1.763 1.00 0.00 C ATOM 768 O LYS A 52 8.768 15.274 -1.596 1.00 0.00 O ATOM 769 CB LYS A 52 10.418 12.485 -1.019 1.00 0.00 C ATOM 770 CG LYS A 52 11.148 12.135 0.280 1.00 0.00 C ATOM 771 CD LYS A 52 12.406 12.990 0.449 1.00 0.00 C ATOM 772 CE LYS A 52 12.950 12.888 1.875 1.00 0.00 C ATOM 773 NZ LYS A 52 14.418 13.068 1.884 1.00 0.00 N ATOM 0 H LYS A 52 8.277 11.145 -1.186 1.00 0.00 H new ATOM 0 HA LYS A 52 9.110 13.571 0.222 1.00 0.00 H new ATOM 0 HB2 LYS A 52 10.332 11.595 -1.643 1.00 0.00 H new ATOM 0 HB3 LYS A 52 11.000 13.214 -1.582 1.00 0.00 H new ATOM 0 HG2 LYS A 52 10.482 12.290 1.129 1.00 0.00 H new ATOM 0 HG3 LYS A 52 11.419 11.079 0.276 1.00 0.00 H new ATOM 0 HD2 LYS A 52 13.169 12.666 -0.259 1.00 0.00 H new ATOM 0 HD3 LYS A 52 12.177 14.030 0.217 1.00 0.00 H new ATOM 0 HE2 LYS A 52 12.481 13.645 2.504 1.00 0.00 H new ATOM 0 HE3 LYS A 52 12.694 11.917 2.299 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 14.771 12.996 2.860 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 14.862 12.331 1.300 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 14.655 14.004 1.499 1.00 0.00 H new ATOM 787 N LYS A 53 7.913 13.565 -2.806 1.00 0.00 N ATOM 788 CA LYS A 53 7.407 14.422 -3.865 1.00 0.00 C ATOM 789 C LYS A 53 6.465 15.467 -3.263 1.00 0.00 C ATOM 790 O LYS A 53 6.501 16.635 -3.648 1.00 0.00 O ATOM 791 CB LYS A 53 6.767 13.583 -4.973 1.00 0.00 C ATOM 792 CG LYS A 53 7.835 12.948 -5.866 1.00 0.00 C ATOM 793 CD LYS A 53 7.195 12.107 -6.973 1.00 0.00 C ATOM 794 CE LYS A 53 5.959 12.805 -7.546 1.00 0.00 C ATOM 795 NZ LYS A 53 5.671 12.309 -8.910 1.00 0.00 N ATOM 0 H LYS A 53 7.734 12.570 -2.940 1.00 0.00 H new ATOM 0 HA LYS A 53 8.225 14.965 -4.340 1.00 0.00 H new ATOM 0 HB2 LYS A 53 6.147 12.803 -4.531 1.00 0.00 H new ATOM 0 HB3 LYS A 53 6.110 14.210 -5.576 1.00 0.00 H new ATOM 0 HG2 LYS A 53 8.454 13.728 -6.309 1.00 0.00 H new ATOM 0 HG3 LYS A 53 8.493 12.322 -5.263 1.00 0.00 H new ATOM 0 HD2 LYS A 53 7.920 11.933 -7.768 1.00 0.00 H new ATOM 0 HD3 LYS A 53 6.915 11.131 -6.577 1.00 0.00 H new ATOM 0 HE2 LYS A 53 5.100 12.627 -6.899 1.00 0.00 H new ATOM 0 HE3 LYS A 53 6.121 13.883 -7.571 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 4.830 12.792 -9.285 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 6.485 12.501 -9.528 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 5.496 11.284 -8.877 1.00 0.00 H new ATOM 809 N TYR A 54 5.645 15.009 -2.328 1.00 0.00 N ATOM 810 CA TYR A 54 4.696 15.890 -1.669 1.00 0.00 C ATOM 811 C TYR A 54 5.293 16.483 -0.392 1.00 0.00 C ATOM 812 O TYR A 54 6.236 15.929 0.172 1.00 0.00 O ATOM 813 CB TYR A 54 3.496 15.016 -1.299 1.00 0.00 C ATOM 814 CG TYR A 54 2.855 14.302 -2.491 1.00 0.00 C ATOM 815 CD1 TYR A 54 1.975 14.979 -3.309 1.00 0.00 C ATOM 816 CD2 TYR A 54 3.157 12.979 -2.747 1.00 0.00 C ATOM 817 CE1 TYR A 54 1.372 14.307 -4.431 1.00 0.00 C ATOM 818 CE2 TYR A 54 2.554 12.307 -3.868 1.00 0.00 C ATOM 819 CZ TYR A 54 1.691 13.004 -4.655 1.00 0.00 C ATOM 820 OH TYR A 54 1.121 12.369 -5.714 1.00 0.00 O ATOM 0 H TYR A 54 5.618 14.040 -2.011 1.00 0.00 H new ATOM 0 HA TYR A 54 4.424 16.719 -2.323 1.00 0.00 H new ATOM 0 HB2 TYR A 54 3.814 14.271 -0.570 1.00 0.00 H new ATOM 0 HB3 TYR A 54 2.743 15.637 -0.813 1.00 0.00 H new ATOM 0 HD1 TYR A 54 1.738 16.013 -3.108 1.00 0.00 H new ATOM 0 HD2 TYR A 54 3.846 12.449 -2.106 1.00 0.00 H new ATOM 0 HE1 TYR A 54 0.682 14.826 -5.080 1.00 0.00 H new ATOM 0 HE2 TYR A 54 2.782 11.273 -4.079 1.00 0.00 H new ATOM 0 HH TYR A 54 1.442 11.444 -5.752 1.00 0.00 H new ATOM 830 N THR A 55 4.721 17.602 0.027 1.00 0.00 N ATOM 831 CA THR A 55 5.185 18.276 1.228 1.00 0.00 C ATOM 832 C THR A 55 4.610 17.601 2.474 1.00 0.00 C ATOM 833 O THR A 55 3.402 17.393 2.571 1.00 0.00 O ATOM 834 CB THR A 55 4.814 19.756 1.112 1.00 0.00 C ATOM 835 OG1 THR A 55 5.938 20.347 0.466 1.00 0.00 O ATOM 836 CG2 THR A 55 4.757 20.453 2.473 1.00 0.00 C ATOM 0 H THR A 55 3.940 18.059 -0.444 1.00 0.00 H new ATOM 0 HA THR A 55 6.268 18.204 1.329 1.00 0.00 H new ATOM 0 HB THR A 55 3.849 19.850 0.615 1.00 0.00 H new ATOM 0 HG1 THR A 55 5.781 21.307 0.349 1.00 0.00 H new ATOM 0 HG21 THR A 55 4.490 21.501 2.334 1.00 0.00 H new ATOM 0 HG22 THR A 55 4.009 19.967 3.099 1.00 0.00 H new ATOM 0 HG23 THR A 55 5.732 20.388 2.956 1.00 0.00 H new ATOM 844 N LEU A 56 5.503 17.278 3.398 1.00 0.00 N ATOM 845 CA LEU A 56 5.100 16.631 4.635 1.00 0.00 C ATOM 846 C LEU A 56 4.039 15.571 4.329 1.00 0.00 C ATOM 847 O LEU A 56 2.895 15.690 4.763 1.00 0.00 O ATOM 848 CB LEU A 56 4.651 17.672 5.663 1.00 0.00 C ATOM 849 CG LEU A 56 5.744 18.593 6.207 1.00 0.00 C ATOM 850 CD1 LEU A 56 7.127 17.958 6.044 1.00 0.00 C ATOM 851 CD2 LEU A 56 5.669 19.976 5.557 1.00 0.00 C ATOM 0 H LEU A 56 6.505 17.452 3.315 1.00 0.00 H new ATOM 0 HA LEU A 56 5.946 16.114 5.088 1.00 0.00 H new ATOM 0 HB2 LEU A 56 3.876 18.290 5.210 1.00 0.00 H new ATOM 0 HB3 LEU A 56 4.193 17.150 6.503 1.00 0.00 H new ATOM 0 HG LEU A 56 5.576 18.729 7.275 1.00 0.00 H new ATOM 0 HD11 LEU A 56 7.886 18.633 6.439 1.00 0.00 H new ATOM 0 HD12 LEU A 56 7.161 17.015 6.590 1.00 0.00 H new ATOM 0 HD13 LEU A 56 7.320 17.773 4.987 1.00 0.00 H new ATOM 0 HD21 LEU A 56 6.457 20.611 5.961 1.00 0.00 H new ATOM 0 HD22 LEU A 56 5.798 19.879 4.479 1.00 0.00 H new ATOM 0 HD23 LEU A 56 4.698 20.424 5.767 1.00 0.00 H new ATOM 863 N ALA A 57 4.458 14.559 3.584 1.00 0.00 N ATOM 864 CA ALA A 57 3.559 13.479 3.215 1.00 0.00 C ATOM 865 C ALA A 57 3.902 12.233 4.032 1.00 0.00 C ATOM 866 O ALA A 57 4.996 12.132 4.587 1.00 0.00 O ATOM 867 CB ALA A 57 3.650 13.231 1.708 1.00 0.00 C ATOM 0 H ALA A 57 5.408 14.464 3.226 1.00 0.00 H new ATOM 0 HA ALA A 57 2.527 13.746 3.440 1.00 0.00 H new ATOM 0 HB1 ALA A 57 2.976 12.421 1.431 1.00 0.00 H new ATOM 0 HB2 ALA A 57 3.367 14.137 1.172 1.00 0.00 H new ATOM 0 HB3 ALA A 57 4.672 12.958 1.445 1.00 0.00 H new ATOM 873 N ARG A 58 2.948 11.315 4.082 1.00 0.00 N ATOM 874 CA ARG A 58 3.136 10.079 4.823 1.00 0.00 C ATOM 875 C ARG A 58 2.046 9.070 4.456 1.00 0.00 C ATOM 876 O ARG A 58 0.858 9.372 4.552 1.00 0.00 O ATOM 877 CB ARG A 58 3.102 10.331 6.332 1.00 0.00 C ATOM 878 CG ARG A 58 4.512 10.303 6.924 1.00 0.00 C ATOM 879 CD ARG A 58 4.464 10.156 8.447 1.00 0.00 C ATOM 880 NE ARG A 58 5.428 11.087 9.075 1.00 0.00 N ATOM 881 CZ ARG A 58 5.259 12.415 9.137 1.00 0.00 C ATOM 882 NH1 ARG A 58 4.162 12.976 8.609 1.00 0.00 N ATOM 883 NH2 ARG A 58 6.186 13.182 9.727 1.00 0.00 N ATOM 0 H ARG A 58 2.042 11.402 3.621 1.00 0.00 H new ATOM 0 HA ARG A 58 4.113 9.677 4.556 1.00 0.00 H new ATOM 0 HB2 ARG A 58 2.639 11.297 6.533 1.00 0.00 H new ATOM 0 HB3 ARG A 58 2.485 9.575 6.817 1.00 0.00 H new ATOM 0 HG2 ARG A 58 5.075 9.475 6.493 1.00 0.00 H new ATOM 0 HG3 ARG A 58 5.040 11.219 6.660 1.00 0.00 H new ATOM 0 HD2 ARG A 58 3.457 10.363 8.809 1.00 0.00 H new ATOM 0 HD3 ARG A 58 4.700 9.130 8.729 1.00 0.00 H new ATOM 0 HE ARG A 58 6.274 10.693 9.486 1.00 0.00 H new ATOM 0 HH11 ARG A 58 3.456 12.392 8.160 1.00 0.00 H new ATOM 0 HH12 ARG A 58 4.033 13.987 8.656 1.00 0.00 H new ATOM 0 HH21 ARG A 58 7.021 12.755 10.129 1.00 0.00 H new ATOM 0 HH22 ARG A 58 6.057 14.193 9.774 1.00 0.00 H new ATOM 897 N ALA A 59 2.490 7.891 4.045 1.00 0.00 N ATOM 898 CA ALA A 59 1.568 6.835 3.664 1.00 0.00 C ATOM 899 C ALA A 59 1.806 5.611 4.550 1.00 0.00 C ATOM 900 O ALA A 59 2.907 5.417 5.063 1.00 0.00 O ATOM 901 CB ALA A 59 1.738 6.521 2.176 1.00 0.00 C ATOM 0 H ALA A 59 3.477 7.644 3.968 1.00 0.00 H new ATOM 0 HA ALA A 59 0.536 7.154 3.814 1.00 0.00 H new ATOM 0 HB1 ALA A 59 1.046 5.729 1.890 1.00 0.00 H new ATOM 0 HB2 ALA A 59 1.528 7.415 1.589 1.00 0.00 H new ATOM 0 HB3 ALA A 59 2.761 6.195 1.987 1.00 0.00 H new ATOM 907 N PHE A 60 0.757 4.817 4.702 1.00 0.00 N ATOM 908 CA PHE A 60 0.839 3.617 5.517 1.00 0.00 C ATOM 909 C PHE A 60 -0.229 2.601 5.106 1.00 0.00 C ATOM 910 O PHE A 60 -1.132 2.922 4.334 1.00 0.00 O ATOM 911 CB PHE A 60 0.590 4.042 6.965 1.00 0.00 C ATOM 912 CG PHE A 60 1.719 4.880 7.570 1.00 0.00 C ATOM 913 CD1 PHE A 60 2.930 4.313 7.817 1.00 0.00 C ATOM 914 CD2 PHE A 60 1.510 6.192 7.860 1.00 0.00 C ATOM 915 CE1 PHE A 60 3.977 5.091 8.378 1.00 0.00 C ATOM 916 CE2 PHE A 60 2.558 6.970 8.421 1.00 0.00 C ATOM 917 CZ PHE A 60 3.769 6.403 8.668 1.00 0.00 C ATOM 0 H PHE A 60 -0.155 4.981 4.275 1.00 0.00 H new ATOM 0 HA PHE A 60 1.815 3.149 5.392 1.00 0.00 H new ATOM 0 HB2 PHE A 60 -0.337 4.613 7.011 1.00 0.00 H new ATOM 0 HB3 PHE A 60 0.446 3.150 7.575 1.00 0.00 H new ATOM 0 HD1 PHE A 60 3.095 3.271 7.586 1.00 0.00 H new ATOM 0 HD2 PHE A 60 0.548 6.642 7.664 1.00 0.00 H new ATOM 0 HE1 PHE A 60 4.939 4.641 8.574 1.00 0.00 H new ATOM 0 HE2 PHE A 60 2.393 8.012 8.651 1.00 0.00 H new ATOM 0 HZ PHE A 60 4.565 6.995 9.094 1.00 0.00 H new ATOM 927 N VAL A 61 -0.092 1.397 5.640 1.00 0.00 N ATOM 928 CA VAL A 61 -1.034 0.332 5.339 1.00 0.00 C ATOM 929 C VAL A 61 -1.202 -0.559 6.571 1.00 0.00 C ATOM 930 O VAL A 61 -0.246 -0.787 7.312 1.00 0.00 O ATOM 931 CB VAL A 61 -0.572 -0.440 4.102 1.00 0.00 C ATOM 932 CG1 VAL A 61 -0.888 0.335 2.821 1.00 0.00 C ATOM 933 CG2 VAL A 61 0.919 -0.773 4.188 1.00 0.00 C ATOM 0 H VAL A 61 0.658 1.135 6.280 1.00 0.00 H new ATOM 0 HA VAL A 61 -2.014 0.745 5.101 1.00 0.00 H new ATOM 0 HB VAL A 61 -1.124 -1.380 4.069 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -0.549 -0.237 1.957 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -1.964 0.497 2.750 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -0.377 1.297 2.843 1.00 0.00 H new ATOM 0 HG21 VAL A 61 1.221 -1.322 3.296 1.00 0.00 H new ATOM 0 HG22 VAL A 61 1.494 0.150 4.259 1.00 0.00 H new ATOM 0 HG23 VAL A 61 1.105 -1.385 5.071 1.00 0.00 H new ATOM 1059 N VAL A 70 -7.762 -3.982 2.411 1.00 0.00 N ATOM 1060 CA VAL A 70 -6.516 -3.399 2.879 1.00 0.00 C ATOM 1061 C VAL A 70 -6.718 -1.902 3.121 1.00 0.00 C ATOM 1062 O VAL A 70 -6.984 -1.149 2.186 1.00 0.00 O ATOM 1063 CB VAL A 70 -5.393 -3.699 1.885 1.00 0.00 C ATOM 1064 CG1 VAL A 70 -4.267 -2.669 2.004 1.00 0.00 C ATOM 1065 CG2 VAL A 70 -4.859 -5.120 2.073 1.00 0.00 C ATOM 0 HA VAL A 70 -6.218 -3.844 3.829 1.00 0.00 H new ATOM 0 HB VAL A 70 -5.807 -3.628 0.879 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -3.481 -2.905 1.287 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -4.661 -1.674 1.797 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -3.856 -2.694 3.013 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -4.062 -5.307 1.354 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -4.469 -5.231 3.085 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -5.666 -5.836 1.915 1.00 0.00 H new ATOM 1075 N ARG A 71 -6.582 -1.515 4.381 1.00 0.00 N ATOM 1076 CA ARG A 71 -6.746 -0.121 4.758 1.00 0.00 C ATOM 1077 C ARG A 71 -5.526 0.693 4.322 1.00 0.00 C ATOM 1078 O ARG A 71 -4.395 0.360 4.673 1.00 0.00 O ATOM 1079 CB ARG A 71 -6.932 0.022 6.270 1.00 0.00 C ATOM 1080 CG ARG A 71 -8.310 -0.485 6.703 1.00 0.00 C ATOM 1081 CD ARG A 71 -9.292 0.676 6.874 1.00 0.00 C ATOM 1082 NE ARG A 71 -10.441 0.248 7.702 1.00 0.00 N ATOM 1083 CZ ARG A 71 -10.432 0.215 9.042 1.00 0.00 C ATOM 1084 NH1 ARG A 71 -9.332 0.585 9.713 1.00 0.00 N ATOM 1085 NH2 ARG A 71 -11.521 -0.188 9.710 1.00 0.00 N ATOM 0 H ARG A 71 -6.360 -2.143 5.154 1.00 0.00 H new ATOM 0 HA ARG A 71 -7.637 0.256 4.256 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -6.155 -0.538 6.790 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -6.818 1.067 6.557 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -8.694 -1.185 5.960 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -8.222 -1.033 7.641 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -8.790 1.522 7.343 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -9.642 1.014 5.899 1.00 0.00 H new ATOM 0 HE ARG A 71 -11.294 -0.040 7.223 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -8.503 0.891 9.204 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -9.324 0.560 10.733 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -12.358 -0.470 9.199 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -11.514 -0.213 10.730 1.00 0.00 H new ATOM 1099 N VAL A 72 -5.797 1.744 3.563 1.00 0.00 N ATOM 1100 CA VAL A 72 -4.736 2.609 3.075 1.00 0.00 C ATOM 1101 C VAL A 72 -4.739 3.913 3.874 1.00 0.00 C ATOM 1102 O VAL A 72 -5.799 4.463 4.168 1.00 0.00 O ATOM 1103 CB VAL A 72 -4.891 2.830 1.569 1.00 0.00 C ATOM 1104 CG1 VAL A 72 -4.187 4.114 1.128 1.00 0.00 C ATOM 1105 CG2 VAL A 72 -4.376 1.624 0.782 1.00 0.00 C ATOM 0 H VAL A 72 -6.736 2.017 3.274 1.00 0.00 H new ATOM 0 HA VAL A 72 -3.763 2.140 3.222 1.00 0.00 H new ATOM 0 HB VAL A 72 -5.954 2.941 1.354 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -4.313 4.247 0.053 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -4.621 4.965 1.652 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -3.125 4.046 1.363 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -4.498 1.807 -0.286 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -3.321 1.468 1.005 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -4.942 0.736 1.065 1.00 0.00 H new ATOM 1115 N TYR A 73 -3.540 4.371 4.203 1.00 0.00 N ATOM 1116 CA TYR A 73 -3.391 5.601 4.963 1.00 0.00 C ATOM 1117 C TYR A 73 -2.456 6.578 4.246 1.00 0.00 C ATOM 1118 O TYR A 73 -1.394 6.187 3.765 1.00 0.00 O ATOM 1119 CB TYR A 73 -2.762 5.198 6.298 1.00 0.00 C ATOM 1120 CG TYR A 73 -3.761 5.101 7.452 1.00 0.00 C ATOM 1121 CD1 TYR A 73 -4.749 6.055 7.592 1.00 0.00 C ATOM 1122 CD2 TYR A 73 -3.674 4.060 8.354 1.00 0.00 C ATOM 1123 CE1 TYR A 73 -5.689 5.963 8.678 1.00 0.00 C ATOM 1124 CE2 TYR A 73 -4.615 3.968 9.441 1.00 0.00 C ATOM 1125 CZ TYR A 73 -5.576 4.925 9.549 1.00 0.00 C ATOM 1126 OH TYR A 73 -6.464 4.838 10.576 1.00 0.00 O ATOM 0 H TYR A 73 -2.663 3.913 3.957 1.00 0.00 H new ATOM 0 HA TYR A 73 -4.355 6.095 5.087 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -2.266 4.235 6.178 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -1.991 5.923 6.558 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -4.817 6.870 6.887 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -2.900 3.314 8.245 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -6.467 6.702 8.798 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -4.559 3.158 10.153 1.00 0.00 H new ATOM 0 HH TYR A 73 -7.371 4.741 10.217 1.00 0.00 H new ATOM 1136 N ALA A 74 -2.886 7.830 4.198 1.00 0.00 N ATOM 1137 CA ALA A 74 -2.101 8.866 3.549 1.00 0.00 C ATOM 1138 C ALA A 74 -2.427 10.220 4.182 1.00 0.00 C ATOM 1139 O ALA A 74 -3.591 10.526 4.436 1.00 0.00 O ATOM 1140 CB ALA A 74 -2.374 8.846 2.043 1.00 0.00 C ATOM 0 H ALA A 74 -3.768 8.150 4.598 1.00 0.00 H new ATOM 0 HA ALA A 74 -1.036 8.684 3.690 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -1.785 9.623 1.556 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -2.098 7.873 1.636 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -3.434 9.027 1.863 1.00 0.00 H new ATOM 1146 N GLU A 75 -1.379 10.995 4.420 1.00 0.00 N ATOM 1147 CA GLU A 75 -1.539 12.308 5.019 1.00 0.00 C ATOM 1148 C GLU A 75 -0.530 13.291 4.422 1.00 0.00 C ATOM 1149 O GLU A 75 0.666 13.008 4.377 1.00 0.00 O ATOM 1150 CB GLU A 75 -1.400 12.238 6.541 1.00 0.00 C ATOM 1151 CG GLU A 75 -0.162 11.433 6.942 1.00 0.00 C ATOM 1152 CD GLU A 75 -0.491 10.440 8.058 1.00 0.00 C ATOM 1153 OE1 GLU A 75 -0.940 9.326 7.713 1.00 0.00 O ATOM 1154 OE2 GLU A 75 -0.287 10.818 9.232 1.00 0.00 O ATOM 0 H GLU A 75 -0.415 10.738 4.208 1.00 0.00 H new ATOM 0 HA GLU A 75 -2.543 12.667 4.795 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -1.331 13.246 6.950 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -2.291 11.780 6.970 1.00 0.00 H new ATOM 0 HG2 GLU A 75 0.224 10.896 6.075 1.00 0.00 H new ATOM 0 HG3 GLU A 75 0.625 12.110 7.274 1.00 0.00 H new ATOM 1161 N ALA A 76 -1.049 14.426 3.978 1.00 0.00 N ATOM 1162 CA ALA A 76 -0.208 15.452 3.385 1.00 0.00 C ATOM 1163 C ALA A 76 -0.421 16.773 4.129 1.00 0.00 C ATOM 1164 O ALA A 76 -1.224 16.843 5.058 1.00 0.00 O ATOM 1165 CB ALA A 76 -0.520 15.568 1.891 1.00 0.00 C ATOM 0 H ALA A 76 -2.042 14.658 4.017 1.00 0.00 H new ATOM 0 HA ALA A 76 0.845 15.186 3.479 1.00 0.00 H new ATOM 0 HB1 ALA A 76 0.111 16.338 1.446 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -0.325 14.613 1.403 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -1.568 15.836 1.758 1.00 0.00 H new ATOM 1171 N ASN A 77 0.312 17.786 3.692 1.00 0.00 N ATOM 1172 CA ASN A 77 0.214 19.100 4.305 1.00 0.00 C ATOM 1173 C ASN A 77 -0.932 19.877 3.654 1.00 0.00 C ATOM 1174 O ASN A 77 -1.499 20.782 4.265 1.00 0.00 O ATOM 1175 CB ASN A 77 1.502 19.900 4.103 1.00 0.00 C ATOM 1176 CG ASN A 77 1.328 21.346 4.569 1.00 0.00 C ATOM 1177 OD1 ASN A 77 0.516 22.098 4.055 1.00 0.00 O ATOM 1178 ND2 ASN A 77 2.133 21.693 5.569 1.00 0.00 N ATOM 0 H ASN A 77 0.976 17.724 2.921 1.00 0.00 H new ATOM 0 HA ASN A 77 0.039 18.962 5.372 1.00 0.00 H new ATOM 0 HB2 ASN A 77 2.316 19.431 4.656 1.00 0.00 H new ATOM 0 HB3 ASN A 77 1.782 19.885 3.050 1.00 0.00 H new ATOM 0 HD21 ASN A 77 2.093 22.638 5.951 1.00 0.00 H new ATOM 0 HD22 ASN A 77 2.790 21.014 5.954 1.00 0.00 H new ATOM 1185 N SER A 78 -1.240 19.495 2.423 1.00 0.00 N ATOM 1186 CA SER A 78 -2.308 20.145 1.683 1.00 0.00 C ATOM 1187 C SER A 78 -3.470 19.171 1.477 1.00 0.00 C ATOM 1188 O SER A 78 -3.254 17.990 1.209 1.00 0.00 O ATOM 1189 CB SER A 78 -1.806 20.664 0.334 1.00 0.00 C ATOM 1190 OG SER A 78 -0.464 21.137 0.409 1.00 0.00 O ATOM 0 H SER A 78 -0.768 18.744 1.920 1.00 0.00 H new ATOM 0 HA SER A 78 -2.656 20.999 2.264 1.00 0.00 H new ATOM 0 HB2 SER A 78 -1.868 19.867 -0.407 1.00 0.00 H new ATOM 0 HB3 SER A 78 -2.455 21.469 -0.009 1.00 0.00 H new ATOM 0 HG SER A 78 -0.181 21.458 -0.473 1.00 0.00 H new ATOM 1196 N GLN A 79 -4.676 19.702 1.611 1.00 0.00 N ATOM 1197 CA GLN A 79 -5.872 18.895 1.444 1.00 0.00 C ATOM 1198 C GLN A 79 -5.862 18.207 0.077 1.00 0.00 C ATOM 1199 O GLN A 79 -6.384 17.103 -0.070 1.00 0.00 O ATOM 1200 CB GLN A 79 -7.134 19.741 1.622 1.00 0.00 C ATOM 1201 CG GLN A 79 -7.190 20.867 0.588 1.00 0.00 C ATOM 1202 CD GLN A 79 -7.635 22.182 1.233 1.00 0.00 C ATOM 1203 OE1 GLN A 79 -6.935 22.777 2.037 1.00 0.00 O ATOM 1204 NE2 GLN A 79 -8.834 22.600 0.838 1.00 0.00 N ATOM 0 H GLN A 79 -4.851 20.682 1.833 1.00 0.00 H new ATOM 0 HA GLN A 79 -5.878 18.126 2.216 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -8.017 19.109 1.525 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -7.154 20.164 2.627 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -6.209 20.996 0.131 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -7.881 20.598 -0.211 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -9.367 22.054 0.162 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -9.220 23.467 1.211 1.00 0.00 H new ATOM 1213 N GLU A 80 -5.261 18.888 -0.888 1.00 0.00 N ATOM 1214 CA GLU A 80 -5.176 18.357 -2.237 1.00 0.00 C ATOM 1215 C GLU A 80 -4.248 17.141 -2.271 1.00 0.00 C ATOM 1216 O GLU A 80 -4.631 16.077 -2.755 1.00 0.00 O ATOM 1217 CB GLU A 80 -4.707 19.431 -3.221 1.00 0.00 C ATOM 1218 CG GLU A 80 -5.824 19.804 -4.198 1.00 0.00 C ATOM 1219 CD GLU A 80 -5.939 18.769 -5.320 1.00 0.00 C ATOM 1220 OE1 GLU A 80 -6.011 17.569 -4.980 1.00 0.00 O ATOM 1221 OE2 GLU A 80 -5.952 19.203 -6.492 1.00 0.00 O ATOM 0 H GLU A 80 -4.828 19.803 -0.762 1.00 0.00 H new ATOM 0 HA GLU A 80 -6.172 18.039 -2.544 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -4.387 20.317 -2.673 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -3.841 19.069 -3.774 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -6.771 19.873 -3.664 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -5.626 20.787 -4.624 1.00 0.00 H new ATOM 1228 N SER A 81 -3.046 17.339 -1.750 1.00 0.00 N ATOM 1229 CA SER A 81 -2.060 16.272 -1.715 1.00 0.00 C ATOM 1230 C SER A 81 -2.582 15.105 -0.874 1.00 0.00 C ATOM 1231 O SER A 81 -2.382 13.943 -1.225 1.00 0.00 O ATOM 1232 CB SER A 81 -0.726 16.772 -1.158 1.00 0.00 C ATOM 1233 OG SER A 81 -0.903 17.821 -0.210 1.00 0.00 O ATOM 0 H SER A 81 -2.732 18.223 -1.349 1.00 0.00 H new ATOM 0 HA SER A 81 -1.891 15.930 -2.736 1.00 0.00 H new ATOM 0 HB2 SER A 81 -0.196 15.944 -0.687 1.00 0.00 H new ATOM 0 HB3 SER A 81 -0.101 17.126 -1.978 1.00 0.00 H new ATOM 0 HG SER A 81 -1.745 17.687 0.273 1.00 0.00 H new ATOM 1239 N ALA A 82 -3.242 15.455 0.221 1.00 0.00 N ATOM 1240 CA ALA A 82 -3.794 14.452 1.115 1.00 0.00 C ATOM 1241 C ALA A 82 -4.615 13.448 0.303 1.00 0.00 C ATOM 1242 O ALA A 82 -4.477 12.239 0.481 1.00 0.00 O ATOM 1243 CB ALA A 82 -4.622 15.137 2.203 1.00 0.00 C ATOM 0 H ALA A 82 -3.407 16.420 0.509 1.00 0.00 H new ATOM 0 HA ALA A 82 -2.996 13.901 1.612 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -5.036 14.384 2.874 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -3.986 15.817 2.770 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -5.435 15.699 1.742 1.00 0.00 H new ATOM 1249 N ASP A 83 -5.452 13.987 -0.572 1.00 0.00 N ATOM 1250 CA ASP A 83 -6.295 13.154 -1.412 1.00 0.00 C ATOM 1251 C ASP A 83 -5.464 12.599 -2.571 1.00 0.00 C ATOM 1252 O ASP A 83 -5.495 11.400 -2.844 1.00 0.00 O ATOM 1253 CB ASP A 83 -7.452 13.961 -2.004 1.00 0.00 C ATOM 1254 CG ASP A 83 -8.785 13.214 -2.088 1.00 0.00 C ATOM 1255 OD1 ASP A 83 -8.761 11.984 -1.866 1.00 0.00 O ATOM 1256 OD2 ASP A 83 -9.798 13.890 -2.371 1.00 0.00 O ATOM 0 H ASP A 83 -5.564 14.990 -0.717 1.00 0.00 H new ATOM 0 HA ASP A 83 -6.695 12.349 -0.795 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -7.593 14.859 -1.403 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -7.172 14.288 -3.005 1.00 0.00 H new ATOM 1261 N ARG A 84 -4.741 13.499 -3.222 1.00 0.00 N ATOM 1262 CA ARG A 84 -3.904 13.115 -4.346 1.00 0.00 C ATOM 1263 C ARG A 84 -3.074 11.879 -3.991 1.00 0.00 C ATOM 1264 O ARG A 84 -3.126 10.870 -4.693 1.00 0.00 O ATOM 1265 CB ARG A 84 -2.964 14.254 -4.747 1.00 0.00 C ATOM 1266 CG ARG A 84 -3.114 14.591 -6.232 1.00 0.00 C ATOM 1267 CD ARG A 84 -2.772 13.383 -7.106 1.00 0.00 C ATOM 1268 NE ARG A 84 -3.329 13.567 -8.464 1.00 0.00 N ATOM 1269 CZ ARG A 84 -2.783 14.357 -9.399 1.00 0.00 C ATOM 1270 NH1 ARG A 84 -1.663 15.041 -9.128 1.00 0.00 N ATOM 1271 NH2 ARG A 84 -3.358 14.464 -10.605 1.00 0.00 N ATOM 0 H ARG A 84 -4.718 14.493 -2.992 1.00 0.00 H new ATOM 0 HA ARG A 84 -4.560 12.888 -5.186 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -3.180 15.137 -4.146 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -1.933 13.970 -4.537 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -4.136 14.913 -6.434 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -2.461 15.425 -6.487 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -1.691 13.258 -7.161 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -3.175 12.474 -6.659 1.00 0.00 H new ATOM 0 HE ARG A 84 -4.182 13.061 -8.704 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -1.226 14.960 -8.210 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -1.248 15.642 -9.840 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -4.211 13.944 -10.811 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -2.943 15.065 -11.317 1.00 0.00 H new ATOM 1285 N LEU A 85 -2.329 11.999 -2.903 1.00 0.00 N ATOM 1286 CA LEU A 85 -1.489 10.904 -2.446 1.00 0.00 C ATOM 1287 C LEU A 85 -2.366 9.689 -2.137 1.00 0.00 C ATOM 1288 O LEU A 85 -2.210 8.634 -2.750 1.00 0.00 O ATOM 1289 CB LEU A 85 -0.619 11.350 -1.269 1.00 0.00 C ATOM 1290 CG LEU A 85 0.451 10.357 -0.812 1.00 0.00 C ATOM 1291 CD1 LEU A 85 1.551 10.212 -1.865 1.00 0.00 C ATOM 1292 CD2 LEU A 85 1.014 10.749 0.555 1.00 0.00 C ATOM 0 H LEU A 85 -2.289 12.838 -2.324 1.00 0.00 H new ATOM 0 HA LEU A 85 -0.794 10.605 -3.230 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -0.127 12.284 -1.540 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -1.271 11.566 -0.423 1.00 0.00 H new ATOM 0 HG LEU A 85 -0.017 9.379 -0.699 1.00 0.00 H new ATOM 0 HD11 LEU A 85 2.299 9.500 -1.515 1.00 0.00 H new ATOM 0 HD12 LEU A 85 1.117 9.852 -2.798 1.00 0.00 H new ATOM 0 HD13 LEU A 85 2.023 11.180 -2.034 1.00 0.00 H new ATOM 0 HD21 LEU A 85 1.773 10.027 0.857 1.00 0.00 H new ATOM 0 HD22 LEU A 85 1.461 11.741 0.493 1.00 0.00 H new ATOM 0 HD23 LEU A 85 0.210 10.759 1.291 1.00 0.00 H new ATOM 1304 N ALA A 86 -3.270 9.878 -1.187 1.00 0.00 N ATOM 1305 CA ALA A 86 -4.172 8.811 -0.789 1.00 0.00 C ATOM 1306 C ALA A 86 -4.687 8.092 -2.038 1.00 0.00 C ATOM 1307 O ALA A 86 -4.613 6.867 -2.128 1.00 0.00 O ATOM 1308 CB ALA A 86 -5.306 9.390 0.059 1.00 0.00 C ATOM 0 H ALA A 86 -3.397 10.755 -0.681 1.00 0.00 H new ATOM 0 HA ALA A 86 -3.650 8.076 -0.177 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -5.983 8.589 0.357 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -4.890 9.864 0.948 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -5.855 10.130 -0.524 1.00 0.00 H new ATOM 1314 N TYR A 87 -5.197 8.883 -2.970 1.00 0.00 N ATOM 1315 CA TYR A 87 -5.724 8.338 -4.209 1.00 0.00 C ATOM 1316 C TYR A 87 -4.680 7.469 -4.913 1.00 0.00 C ATOM 1317 O TYR A 87 -4.987 6.368 -5.368 1.00 0.00 O ATOM 1318 CB TYR A 87 -6.049 9.542 -5.095 1.00 0.00 C ATOM 1319 CG TYR A 87 -6.064 9.227 -6.592 1.00 0.00 C ATOM 1320 CD1 TYR A 87 -6.881 8.226 -7.079 1.00 0.00 C ATOM 1321 CD2 TYR A 87 -5.261 9.943 -7.456 1.00 0.00 C ATOM 1322 CE1 TYR A 87 -6.895 7.929 -8.488 1.00 0.00 C ATOM 1323 CE2 TYR A 87 -5.276 9.646 -8.865 1.00 0.00 C ATOM 1324 CZ TYR A 87 -6.092 8.654 -9.312 1.00 0.00 C ATOM 1325 OH TYR A 87 -6.106 8.374 -10.642 1.00 0.00 O ATOM 0 H TYR A 87 -5.256 9.898 -2.892 1.00 0.00 H new ATOM 0 HA TYR A 87 -6.597 7.715 -4.014 1.00 0.00 H new ATOM 0 HB2 TYR A 87 -7.023 9.939 -4.808 1.00 0.00 H new ATOM 0 HB3 TYR A 87 -5.317 10.327 -4.907 1.00 0.00 H new ATOM 0 HD1 TYR A 87 -7.510 7.666 -6.403 1.00 0.00 H new ATOM 0 HD2 TYR A 87 -4.622 10.726 -7.076 1.00 0.00 H new ATOM 0 HE1 TYR A 87 -7.529 7.148 -8.881 1.00 0.00 H new ATOM 0 HE2 TYR A 87 -4.653 10.199 -9.552 1.00 0.00 H new ATOM 0 HH TYR A 87 -5.484 8.971 -11.109 1.00 0.00 H new ATOM 1335 N GLU A 88 -3.466 7.997 -4.981 1.00 0.00 N ATOM 1336 CA GLU A 88 -2.375 7.283 -5.622 1.00 0.00 C ATOM 1337 C GLU A 88 -2.092 5.973 -4.885 1.00 0.00 C ATOM 1338 O GLU A 88 -2.256 4.891 -5.448 1.00 0.00 O ATOM 1339 CB GLU A 88 -1.119 8.153 -5.696 1.00 0.00 C ATOM 1340 CG GLU A 88 -1.326 9.338 -6.642 1.00 0.00 C ATOM 1341 CD GLU A 88 -0.267 9.349 -7.746 1.00 0.00 C ATOM 1342 OE1 GLU A 88 0.144 8.240 -8.150 1.00 0.00 O ATOM 1343 OE2 GLU A 88 0.106 10.467 -8.162 1.00 0.00 O ATOM 0 H GLU A 88 -3.214 8.910 -4.603 1.00 0.00 H new ATOM 0 HA GLU A 88 -2.673 7.045 -6.643 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -0.866 8.518 -4.701 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -0.276 7.553 -6.039 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -2.320 9.284 -7.087 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -1.279 10.270 -6.079 1.00 0.00 H new ATOM 1350 N VAL A 89 -1.672 6.112 -3.636 1.00 0.00 N ATOM 1351 CA VAL A 89 -1.365 4.953 -2.816 1.00 0.00 C ATOM 1352 C VAL A 89 -2.408 3.863 -3.070 1.00 0.00 C ATOM 1353 O VAL A 89 -2.073 2.775 -3.537 1.00 0.00 O ATOM 1354 CB VAL A 89 -1.274 5.362 -1.345 1.00 0.00 C ATOM 1355 CG1 VAL A 89 -1.069 4.140 -0.447 1.00 0.00 C ATOM 1356 CG2 VAL A 89 -0.164 6.393 -1.130 1.00 0.00 C ATOM 0 H VAL A 89 -1.537 7.010 -3.172 1.00 0.00 H new ATOM 0 HA VAL A 89 -0.392 4.541 -3.086 1.00 0.00 H new ATOM 0 HB VAL A 89 -2.220 5.826 -1.068 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -1.008 4.459 0.593 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -1.908 3.455 -0.568 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -0.145 3.634 -0.726 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -0.121 6.667 -0.076 1.00 0.00 H new ATOM 0 HG22 VAL A 89 0.792 5.967 -1.434 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -0.372 7.281 -1.727 1.00 0.00 H new ATOM 1366 N SER A 90 -3.651 4.193 -2.753 1.00 0.00 N ATOM 1367 CA SER A 90 -4.745 3.255 -2.941 1.00 0.00 C ATOM 1368 C SER A 90 -4.592 2.534 -4.281 1.00 0.00 C ATOM 1369 O SER A 90 -4.715 1.312 -4.350 1.00 0.00 O ATOM 1370 CB SER A 90 -6.098 3.967 -2.873 1.00 0.00 C ATOM 1371 OG SER A 90 -6.045 5.269 -3.449 1.00 0.00 O ATOM 0 H SER A 90 -3.925 5.097 -2.367 1.00 0.00 H new ATOM 0 HA SER A 90 -4.709 2.522 -2.135 1.00 0.00 H new ATOM 0 HB2 SER A 90 -6.848 3.371 -3.393 1.00 0.00 H new ATOM 0 HB3 SER A 90 -6.416 4.043 -1.833 1.00 0.00 H new ATOM 0 HG SER A 90 -5.640 5.216 -4.340 1.00 0.00 H new ATOM 1377 N LEU A 91 -4.324 3.320 -5.313 1.00 0.00 N ATOM 1378 CA LEU A 91 -4.152 2.772 -6.648 1.00 0.00 C ATOM 1379 C LEU A 91 -2.879 1.924 -6.686 1.00 0.00 C ATOM 1380 O LEU A 91 -2.902 0.783 -7.143 1.00 0.00 O ATOM 1381 CB LEU A 91 -4.180 3.888 -7.694 1.00 0.00 C ATOM 1382 CG LEU A 91 -5.540 4.175 -8.333 1.00 0.00 C ATOM 1383 CD1 LEU A 91 -5.484 5.436 -9.198 1.00 0.00 C ATOM 1384 CD2 LEU A 91 -6.043 2.962 -9.119 1.00 0.00 C ATOM 0 H LEU A 91 -4.222 4.333 -5.252 1.00 0.00 H new ATOM 0 HA LEU A 91 -4.983 2.112 -6.899 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -3.819 4.805 -7.228 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -3.475 3.634 -8.486 1.00 0.00 H new ATOM 0 HG LEU A 91 -6.259 4.363 -7.536 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -6.463 5.617 -9.641 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -5.201 6.289 -8.580 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -4.747 5.301 -9.990 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -7.011 3.192 -9.563 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -5.331 2.719 -9.907 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -6.146 2.110 -8.447 1.00 0.00 H new ATOM 1396 N LEU A 92 -1.798 2.516 -6.200 1.00 0.00 N ATOM 1397 CA LEU A 92 -0.518 1.830 -6.172 1.00 0.00 C ATOM 1398 C LEU A 92 -0.716 0.409 -5.641 1.00 0.00 C ATOM 1399 O LEU A 92 -0.179 -0.547 -6.198 1.00 0.00 O ATOM 1400 CB LEU A 92 0.510 2.644 -5.383 1.00 0.00 C ATOM 1401 CG LEU A 92 0.606 4.129 -5.739 1.00 0.00 C ATOM 1402 CD1 LEU A 92 2.007 4.672 -5.451 1.00 0.00 C ATOM 1403 CD2 LEU A 92 0.182 4.374 -7.189 1.00 0.00 C ATOM 0 H LEU A 92 -1.782 3.463 -5.822 1.00 0.00 H new ATOM 0 HA LEU A 92 -0.113 1.740 -7.180 1.00 0.00 H new ATOM 0 HB2 LEU A 92 0.274 2.560 -4.322 1.00 0.00 H new ATOM 0 HB3 LEU A 92 1.491 2.192 -5.528 1.00 0.00 H new ATOM 0 HG LEU A 92 -0.089 4.679 -5.104 1.00 0.00 H new ATOM 0 HD11 LEU A 92 2.048 5.729 -5.713 1.00 0.00 H new ATOM 0 HD12 LEU A 92 2.233 4.551 -4.392 1.00 0.00 H new ATOM 0 HD13 LEU A 92 2.739 4.123 -6.043 1.00 0.00 H new ATOM 0 HD21 LEU A 92 0.260 5.437 -7.416 1.00 0.00 H new ATOM 0 HD22 LEU A 92 0.833 3.812 -7.858 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -0.849 4.048 -7.327 1.00 0.00 H new ATOM 1415 N VAL A 93 -1.490 0.315 -4.569 1.00 0.00 N ATOM 1416 CA VAL A 93 -1.766 -0.973 -3.956 1.00 0.00 C ATOM 1417 C VAL A 93 -2.640 -1.804 -4.897 1.00 0.00 C ATOM 1418 O VAL A 93 -2.213 -2.850 -5.383 1.00 0.00 O ATOM 1419 CB VAL A 93 -2.398 -0.771 -2.577 1.00 0.00 C ATOM 1420 CG1 VAL A 93 -2.347 -2.061 -1.756 1.00 0.00 C ATOM 1421 CG2 VAL A 93 -1.725 0.382 -1.829 1.00 0.00 C ATOM 0 H VAL A 93 -1.934 1.110 -4.110 1.00 0.00 H new ATOM 0 HA VAL A 93 -0.841 -1.527 -3.798 1.00 0.00 H new ATOM 0 HB VAL A 93 -3.446 -0.509 -2.724 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -2.803 -1.890 -0.781 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -2.893 -2.847 -2.279 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -1.309 -2.367 -1.623 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -2.193 0.504 -0.852 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -0.665 0.162 -1.699 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -1.837 1.302 -2.403 1.00 0.00 H new ATOM 1431 N PHE A 94 -3.846 -1.307 -5.126 1.00 0.00 N ATOM 1432 CA PHE A 94 -4.784 -1.991 -6.001 1.00 0.00 C ATOM 1433 C PHE A 94 -4.063 -2.610 -7.200 1.00 0.00 C ATOM 1434 O PHE A 94 -4.363 -3.736 -7.596 1.00 0.00 O ATOM 1435 CB PHE A 94 -5.775 -0.940 -6.504 1.00 0.00 C ATOM 1436 CG PHE A 94 -6.545 -1.360 -7.758 1.00 0.00 C ATOM 1437 CD1 PHE A 94 -5.924 -1.366 -8.968 1.00 0.00 C ATOM 1438 CD2 PHE A 94 -7.851 -1.728 -7.662 1.00 0.00 C ATOM 1439 CE1 PHE A 94 -6.638 -1.756 -10.131 1.00 0.00 C ATOM 1440 CE2 PHE A 94 -8.565 -2.118 -8.825 1.00 0.00 C ATOM 1441 CZ PHE A 94 -7.944 -2.124 -10.035 1.00 0.00 C ATOM 0 H PHE A 94 -4.196 -0.439 -4.721 1.00 0.00 H new ATOM 0 HA PHE A 94 -5.283 -2.793 -5.457 1.00 0.00 H new ATOM 0 HB2 PHE A 94 -6.488 -0.718 -5.710 1.00 0.00 H new ATOM 0 HB3 PHE A 94 -5.234 -0.017 -6.714 1.00 0.00 H new ATOM 0 HD1 PHE A 94 -4.887 -1.074 -9.044 1.00 0.00 H new ATOM 0 HD2 PHE A 94 -8.344 -1.723 -6.701 1.00 0.00 H new ATOM 0 HE1 PHE A 94 -6.145 -1.761 -11.092 1.00 0.00 H new ATOM 0 HE2 PHE A 94 -9.602 -2.410 -8.749 1.00 0.00 H new ATOM 0 HZ PHE A 94 -8.488 -2.421 -10.920 1.00 0.00 H new ATOM 1451 N GLN A 95 -3.125 -1.848 -7.745 1.00 0.00 N ATOM 1452 CA GLN A 95 -2.359 -2.308 -8.890 1.00 0.00 C ATOM 1453 C GLN A 95 -1.241 -3.249 -8.438 1.00 0.00 C ATOM 1454 O GLN A 95 -1.148 -4.381 -8.910 1.00 0.00 O ATOM 1455 CB GLN A 95 -1.795 -1.127 -9.683 1.00 0.00 C ATOM 1456 CG GLN A 95 -2.812 -0.619 -10.707 1.00 0.00 C ATOM 1457 CD GLN A 95 -2.164 -0.446 -12.083 1.00 0.00 C ATOM 1458 OE1 GLN A 95 -1.376 0.455 -12.318 1.00 0.00 O ATOM 1459 NE2 GLN A 95 -2.539 -1.358 -12.976 1.00 0.00 N ATOM 0 H GLN A 95 -2.879 -0.915 -7.414 1.00 0.00 H new ATOM 0 HA GLN A 95 -3.027 -2.861 -9.551 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -1.527 -0.321 -9.000 1.00 0.00 H new ATOM 0 HB3 GLN A 95 -0.880 -1.430 -10.193 1.00 0.00 H new ATOM 0 HG2 GLN A 95 -3.643 -1.320 -10.778 1.00 0.00 H new ATOM 0 HG3 GLN A 95 -3.225 0.333 -10.373 1.00 0.00 H new ATOM 0 HE21 GLN A 95 -3.203 -2.086 -12.713 1.00 0.00 H new ATOM 0 HE22 GLN A 95 -2.162 -1.329 -13.923 1.00 0.00 H new ATOM 1468 N LEU A 96 -0.419 -2.745 -7.529 1.00 0.00 N ATOM 1469 CA LEU A 96 0.690 -3.527 -7.007 1.00 0.00 C ATOM 1470 C LEU A 96 0.164 -4.865 -6.485 1.00 0.00 C ATOM 1471 O LEU A 96 0.452 -5.915 -7.058 1.00 0.00 O ATOM 1472 CB LEU A 96 1.468 -2.722 -5.964 1.00 0.00 C ATOM 1473 CG LEU A 96 2.791 -3.333 -5.497 1.00 0.00 C ATOM 1474 CD1 LEU A 96 2.877 -4.812 -5.878 1.00 0.00 C ATOM 1475 CD2 LEU A 96 3.982 -2.533 -6.029 1.00 0.00 C ATOM 0 H LEU A 96 -0.498 -1.805 -7.141 1.00 0.00 H new ATOM 0 HA LEU A 96 1.404 -3.753 -7.799 1.00 0.00 H new ATOM 0 HB2 LEU A 96 1.672 -1.733 -6.375 1.00 0.00 H new ATOM 0 HB3 LEU A 96 0.829 -2.579 -5.093 1.00 0.00 H new ATOM 0 HG LEU A 96 2.827 -3.279 -4.409 1.00 0.00 H new ATOM 0 HD11 LEU A 96 3.827 -5.222 -5.534 1.00 0.00 H new ATOM 0 HD12 LEU A 96 2.057 -5.356 -5.410 1.00 0.00 H new ATOM 0 HD13 LEU A 96 2.809 -4.913 -6.961 1.00 0.00 H new ATOM 0 HD21 LEU A 96 4.910 -2.988 -5.683 1.00 0.00 H new ATOM 0 HD22 LEU A 96 3.963 -2.533 -7.119 1.00 0.00 H new ATOM 0 HD23 LEU A 96 3.923 -1.507 -5.665 1.00 0.00 H new ATOM 1487 N ALA A 97 -0.599 -4.784 -5.405 1.00 0.00 N ATOM 1488 CA ALA A 97 -1.167 -5.976 -4.799 1.00 0.00 C ATOM 1489 C ALA A 97 -2.020 -6.712 -5.835 1.00 0.00 C ATOM 1490 O ALA A 97 -1.678 -7.816 -6.255 1.00 0.00 O ATOM 1491 CB ALA A 97 -1.969 -5.585 -3.556 1.00 0.00 C ATOM 0 H ALA A 97 -0.837 -3.911 -4.934 1.00 0.00 H new ATOM 0 HA ALA A 97 -0.378 -6.656 -4.477 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -2.395 -6.480 -3.102 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -1.312 -5.092 -2.840 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -2.772 -4.905 -3.840 1.00 0.00 H new ATOM 1497 N GLY A 98 -3.114 -6.070 -6.217 1.00 0.00 N ATOM 1498 CA GLY A 98 -4.019 -6.649 -7.196 1.00 0.00 C ATOM 1499 C GLY A 98 -5.460 -6.642 -6.682 1.00 0.00 C ATOM 1500 O GLY A 98 -6.099 -7.690 -6.599 1.00 0.00 O ATOM 0 H GLY A 98 -3.395 -5.154 -5.866 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -3.959 -6.088 -8.129 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -3.714 -7.671 -7.419 1.00 0.00 H new ATOM 1504 N GLY A 99 -5.930 -5.448 -6.350 1.00 0.00 N ATOM 1505 CA GLY A 99 -7.284 -5.291 -5.847 1.00 0.00 C ATOM 1506 C GLY A 99 -8.282 -6.071 -6.705 1.00 0.00 C ATOM 1507 O GLY A 99 -7.964 -6.473 -7.823 1.00 0.00 O ATOM 0 H GLY A 99 -5.397 -4.581 -6.420 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -7.335 -5.640 -4.816 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -7.553 -4.235 -5.840 1.00 0.00 H new ATOM 1511 N ILE A 100 -9.470 -6.260 -6.150 1.00 0.00 N ATOM 1512 CA ILE A 100 -10.517 -6.985 -6.850 1.00 0.00 C ATOM 1513 C ILE A 100 -11.860 -6.293 -6.608 1.00 0.00 C ATOM 1514 O ILE A 100 -12.056 -5.656 -5.574 1.00 0.00 O ATOM 1515 CB ILE A 100 -10.506 -8.462 -6.452 1.00 0.00 C ATOM 1516 CG1 ILE A 100 -10.846 -8.633 -4.970 1.00 0.00 C ATOM 1517 CG2 ILE A 100 -9.171 -9.117 -6.813 1.00 0.00 C ATOM 1518 CD1 ILE A 100 -11.842 -9.775 -4.764 1.00 0.00 C ATOM 0 H ILE A 100 -9.731 -5.924 -5.223 1.00 0.00 H new ATOM 0 HA ILE A 100 -10.338 -6.968 -7.925 1.00 0.00 H new ATOM 0 HB ILE A 100 -11.281 -8.975 -7.021 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -9.936 -8.834 -4.405 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -11.265 -7.705 -4.580 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -9.190 -10.167 -6.519 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -9.009 -9.044 -7.888 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -8.362 -8.608 -6.289 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -12.066 -9.875 -3.702 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -12.760 -9.560 -5.310 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -11.410 -10.705 -5.133 1.00 0.00 H new