USER MOD reduce.3.24.130724 H: found=0, std=0, add=693, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 694 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 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 75 TYR OH : rot -1:sc= -0.654 USER MOD Set 2.1: A 53 GLN : amide:sc= -1.8! C(o=-1.8!,f=-2.4!) USER MOD Set 2.2: A 61 TYR OH : rot 120:sc= -0.0255 USER MOD Set 3.1: A 36 LYS NZ :NH3+ -138:sc= 0 (180deg=0) USER MOD Set 3.2: A 37 LYS NZ :NH3+ -150:sc= 0 (180deg=0) USER MOD Set 4.1: A 17 ASN : amide:sc= -2.22! C(o=-14!,f=-15!) USER MOD Set 4.2: A 19 ASN : amide:sc= -11.6! C(o=-14!,f=-14!) USER MOD Single : A 22 HIS : no HD1:sc= -6.64! C(o=-6.6!,f=-3!) USER MOD Single : A 32 THR OG1 : rot 89:sc= 0.704 USER MOD Single : A 34 HIS : no HE2:sc= -5.11! C(o=-5.1!,f=-3.7!) USER MOD Single : A 35 ASN : amide:sc= -5.24! C(o=-5.2!,f=-3.1!) USER MOD Single : A 39 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 40 SER OG : rot 180:sc= -0.151 USER MOD Single : A 46 LYS NZ :NH3+ -177:sc= 0.309 (180deg=0.306) USER MOD Single : A 49 SER OG : rot 30:sc= -0.0666 USER MOD Single : A 51 LYS NZ :NH3+ -177:sc= -0.412 (180deg=-0.434) USER MOD Single : A 52 GLN : amide:sc= -1.26 K(o=-1.3,f=-2.8!) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 TYR OH : rot 30:sc= -1.34 USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 LYS NZ :NH3+ 149:sc= 0.22 (180deg=-0.995) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 MET CE :methyl -164:sc= -0.0695 (180deg=-0.473) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 GLN : amide:sc= -0.0399 K(o=-0.04,f=-1.3) USER MOD Single : A 94 LYS NZ :NH3+ 171:sc= -1.23 (180deg=-1.52) USER MOD ----------------------------------------------------------------- ATOM 147 N GLU A 13 -12.565 -4.606 2.152 1.00 0.00 N ATOM 148 CA GLU A 13 -12.997 -3.810 3.282 1.00 0.00 C ATOM 149 C GLU A 13 -12.302 -2.456 3.261 1.00 0.00 C ATOM 150 O GLU A 13 -11.101 -2.367 3.508 1.00 0.00 O ATOM 151 CB GLU A 13 -12.687 -4.556 4.577 1.00 0.00 C ATOM 152 CG GLU A 13 -13.973 -5.153 5.141 1.00 0.00 C ATOM 153 CD GLU A 13 -14.577 -4.240 6.198 1.00 0.00 C ATOM 154 OE1 GLU A 13 -13.783 -3.670 6.977 1.00 0.00 O ATOM 155 OE2 GLU A 13 -15.822 -4.128 6.207 1.00 0.00 O ATOM 0 HA GLU A 13 -14.072 -3.643 3.221 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -11.959 -5.345 4.389 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -12.240 -3.876 5.303 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -14.691 -5.308 4.335 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -13.765 -6.131 5.575 1.00 0.00 H new ATOM 162 N PRO A 14 -13.062 -1.399 2.964 1.00 0.00 N ATOM 163 CA PRO A 14 -12.577 -0.038 2.899 1.00 0.00 C ATOM 164 C PRO A 14 -12.294 0.471 4.305 1.00 0.00 C ATOM 165 O PRO A 14 -13.133 0.347 5.194 1.00 0.00 O ATOM 166 CB PRO A 14 -13.712 0.752 2.250 1.00 0.00 C ATOM 167 CG PRO A 14 -14.955 -0.018 2.692 1.00 0.00 C ATOM 168 CD PRO A 14 -14.477 -1.469 2.669 1.00 0.00 C ATOM 0 HA PRO A 14 -11.650 0.055 2.334 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -13.733 1.786 2.594 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -13.617 0.779 1.164 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -15.286 0.284 3.686 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -15.793 0.143 2.014 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -15.005 -2.071 3.408 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -14.656 -1.929 1.697 1.00 0.00 H new ATOM 176 N VAL A 15 -11.105 1.044 4.506 1.00 0.00 N ATOM 177 CA VAL A 15 -10.716 1.567 5.800 1.00 0.00 C ATOM 178 C VAL A 15 -9.952 2.870 5.621 1.00 0.00 C ATOM 179 O VAL A 15 -10.061 3.519 4.582 1.00 0.00 O ATOM 180 CB VAL A 15 -9.861 0.534 6.528 1.00 0.00 C ATOM 181 CG1 VAL A 15 -10.020 0.713 8.035 1.00 0.00 C ATOM 182 CG2 VAL A 15 -10.311 -0.869 6.132 1.00 0.00 C ATOM 0 H VAL A 15 -10.398 1.154 3.779 1.00 0.00 H new ATOM 0 HA VAL A 15 -11.605 1.770 6.397 1.00 0.00 H new ATOM 0 HB VAL A 15 -8.815 0.671 6.254 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -9.409 -0.025 8.555 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -9.698 1.715 8.318 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -11.066 0.577 8.309 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -9.700 -1.607 6.652 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -11.357 -1.006 6.405 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -10.197 -0.997 5.056 1.00 0.00 H new ATOM 192 N GLY A 16 -9.176 3.254 6.637 1.00 0.00 N ATOM 193 CA GLY A 16 -8.400 4.478 6.583 1.00 0.00 C ATOM 194 C GLY A 16 -8.240 5.063 7.979 1.00 0.00 C ATOM 195 O GLY A 16 -9.216 5.214 8.709 1.00 0.00 O ATOM 0 H GLY A 16 -9.074 2.728 7.505 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -7.420 4.277 6.151 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -8.893 5.201 5.933 1.00 0.00 H new ATOM 199 N ASN A 17 -7.000 5.392 8.349 1.00 0.00 N ATOM 200 CA ASN A 17 -6.717 5.958 9.652 1.00 0.00 C ATOM 201 C ASN A 17 -5.214 5.987 9.890 1.00 0.00 C ATOM 202 O ASN A 17 -4.601 4.952 10.141 1.00 0.00 O ATOM 203 CB ASN A 17 -7.419 5.133 10.726 1.00 0.00 C ATOM 204 CG ASN A 17 -8.448 5.971 11.469 1.00 0.00 C ATOM 205 OD1 ASN A 17 -8.234 7.159 11.702 1.00 0.00 O ATOM 206 ND2 ASN A 17 -9.571 5.352 11.842 1.00 0.00 N ATOM 0 H ASN A 17 -6.179 5.272 7.756 1.00 0.00 H new ATOM 0 HA ASN A 17 -7.089 6.982 9.696 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -7.907 4.273 10.268 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -6.683 4.745 11.430 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -10.295 5.867 12.342 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -9.704 4.364 11.626 1.00 0.00 H new ATOM 213 N GLU A 18 -4.620 7.180 9.812 1.00 0.00 N ATOM 214 CA GLU A 18 -3.195 7.337 10.021 1.00 0.00 C ATOM 215 C GLU A 18 -2.824 6.890 11.427 1.00 0.00 C ATOM 216 O GLU A 18 -1.761 6.311 11.640 1.00 0.00 O ATOM 217 CB GLU A 18 -2.806 8.795 9.796 1.00 0.00 C ATOM 218 CG GLU A 18 -3.623 9.688 10.726 1.00 0.00 C ATOM 219 CD GLU A 18 -3.496 11.151 10.325 1.00 0.00 C ATOM 220 OE1 GLU A 18 -2.398 11.706 10.547 1.00 0.00 O ATOM 221 OE2 GLU A 18 -4.498 11.686 9.804 1.00 0.00 O ATOM 0 H GLU A 18 -5.113 8.048 9.605 1.00 0.00 H new ATOM 0 HA GLU A 18 -2.650 6.715 9.310 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -1.741 8.932 9.985 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -2.984 9.074 8.757 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -4.671 9.388 10.697 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -3.283 9.558 11.753 1.00 0.00 H new ATOM 228 N ASN A 19 -3.706 7.162 12.392 1.00 0.00 N ATOM 229 CA ASN A 19 -3.469 6.787 13.771 1.00 0.00 C ATOM 230 C ASN A 19 -2.870 5.389 13.834 1.00 0.00 C ATOM 231 O ASN A 19 -1.810 5.188 14.423 1.00 0.00 O ATOM 232 CB ASN A 19 -4.782 6.847 14.547 1.00 0.00 C ATOM 233 CG ASN A 19 -5.676 5.668 14.193 1.00 0.00 C ATOM 234 OD1 ASN A 19 -6.616 5.811 13.414 1.00 0.00 O ATOM 235 ND2 ASN A 19 -5.381 4.499 14.766 1.00 0.00 N ATOM 0 H ASN A 19 -4.591 7.643 12.234 1.00 0.00 H new ATOM 0 HA ASN A 19 -2.762 7.483 14.222 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -4.577 6.844 15.618 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -5.299 7.780 14.324 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -5.946 3.675 14.563 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -4.590 4.430 15.406 1.00 0.00 H new ATOM 242 N ASP A 20 -3.554 4.419 13.221 1.00 0.00 N ATOM 243 CA ASP A 20 -3.089 3.047 13.209 1.00 0.00 C ATOM 244 C ASP A 20 -1.709 2.977 12.571 1.00 0.00 C ATOM 245 O ASP A 20 -1.590 2.718 11.373 1.00 0.00 O ATOM 246 CB ASP A 20 -4.084 2.181 12.442 1.00 0.00 C ATOM 247 CG ASP A 20 -5.377 2.012 13.228 1.00 0.00 C ATOM 248 OD1 ASP A 20 -5.328 1.299 14.253 1.00 0.00 O ATOM 249 OD2 ASP A 20 -6.389 2.600 12.788 1.00 0.00 O ATOM 0 H ASP A 20 -4.434 4.569 12.727 1.00 0.00 H new ATOM 0 HA ASP A 20 -3.015 2.674 14.231 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -4.298 2.636 11.475 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -3.644 1.204 12.244 1.00 0.00 H new ATOM 254 N LEU A 21 -0.668 3.206 13.372 1.00 0.00 N ATOM 255 CA LEU A 21 0.712 3.182 12.886 1.00 0.00 C ATOM 256 C LEU A 21 0.948 2.043 11.891 1.00 0.00 C ATOM 257 O LEU A 21 1.638 2.221 10.887 1.00 0.00 O ATOM 258 CB LEU A 21 1.671 3.046 14.071 1.00 0.00 C ATOM 259 CG LEU A 21 1.666 1.662 14.754 1.00 0.00 C ATOM 260 CD1 LEU A 21 2.808 0.788 14.243 1.00 0.00 C ATOM 261 CD2 LEU A 21 1.749 1.802 16.270 1.00 0.00 C ATOM 0 H LEU A 21 -0.756 3.412 14.367 1.00 0.00 H new ATOM 0 HA LEU A 21 0.898 4.119 12.362 1.00 0.00 H new ATOM 0 HB2 LEU A 21 2.683 3.262 13.728 1.00 0.00 H new ATOM 0 HB3 LEU A 21 1.418 3.803 14.814 1.00 0.00 H new ATOM 0 HG LEU A 21 0.724 1.176 14.500 1.00 0.00 H new ATOM 0 HD11 LEU A 21 2.777 -0.180 14.743 1.00 0.00 H new ATOM 0 HD12 LEU A 21 2.703 0.644 13.168 1.00 0.00 H new ATOM 0 HD13 LEU A 21 3.761 1.275 14.453 1.00 0.00 H new ATOM 0 HD21 LEU A 21 1.744 0.813 16.728 1.00 0.00 H new ATOM 0 HD22 LEU A 21 2.670 2.321 16.538 1.00 0.00 H new ATOM 0 HD23 LEU A 21 0.893 2.373 16.630 1.00 0.00 H new ATOM 273 N HIS A 22 0.370 0.876 12.188 1.00 0.00 N ATOM 274 CA HIS A 22 0.494 -0.307 11.333 1.00 0.00 C ATOM 275 C HIS A 22 0.191 0.055 9.868 1.00 0.00 C ATOM 276 O HIS A 22 1.065 -0.098 9.014 1.00 0.00 O ATOM 277 CB HIS A 22 -0.432 -1.423 11.829 1.00 0.00 C ATOM 278 CG HIS A 22 -0.631 -2.516 10.823 1.00 0.00 C ATOM 279 ND1 HIS A 22 -0.539 -3.855 11.139 1.00 0.00 N ATOM 280 CD2 HIS A 22 -0.907 -2.463 9.498 1.00 0.00 C ATOM 281 CE1 HIS A 22 -0.749 -4.579 10.054 1.00 0.00 C ATOM 282 NE2 HIS A 22 -0.976 -3.758 9.045 1.00 0.00 N ATOM 0 H HIS A 22 -0.195 0.725 13.024 1.00 0.00 H new ATOM 0 HA HIS A 22 1.520 -0.671 11.385 1.00 0.00 H new ATOM 0 HB2 HIS A 22 -0.019 -1.850 12.743 1.00 0.00 H new ATOM 0 HB3 HIS A 22 -1.401 -0.995 12.087 1.00 0.00 H new ATOM 0 HD2 HIS A 22 -1.047 -1.569 8.908 1.00 0.00 H new ATOM 0 HE1 HIS A 22 -0.737 -5.658 10.001 1.00 0.00 H new ATOM 0 HE2 HIS A 22 -1.171 -4.040 8.084 1.00 0.00 H new ATOM 291 N LEU A 23 -1.030 0.512 9.585 1.00 0.00 N ATOM 292 CA LEU A 23 -1.438 0.860 8.225 1.00 0.00 C ATOM 293 C LEU A 23 -0.461 1.837 7.566 1.00 0.00 C ATOM 294 O LEU A 23 0.056 1.582 6.480 1.00 0.00 O ATOM 295 CB LEU A 23 -2.844 1.466 8.250 1.00 0.00 C ATOM 296 CG LEU A 23 -3.752 0.949 9.385 1.00 0.00 C ATOM 297 CD1 LEU A 23 -5.223 1.238 9.094 1.00 0.00 C ATOM 298 CD2 LEU A 23 -3.544 -0.543 9.612 1.00 0.00 C ATOM 0 H LEU A 23 -1.758 0.650 10.286 1.00 0.00 H new ATOM 0 HA LEU A 23 -1.437 -0.055 7.632 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -2.756 2.549 8.339 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -3.329 1.263 7.295 1.00 0.00 H new ATOM 0 HG LEU A 23 -3.473 1.481 10.294 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -5.837 0.861 9.912 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -5.370 2.314 8.995 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -5.514 0.746 8.166 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -4.196 -0.883 10.417 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -3.783 -1.087 8.698 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -2.505 -0.728 9.884 1.00 0.00 H new ATOM 310 N VAL A 24 -0.217 2.963 8.239 1.00 0.00 N ATOM 311 CA VAL A 24 0.683 3.980 7.732 1.00 0.00 C ATOM 312 C VAL A 24 2.028 3.352 7.394 1.00 0.00 C ATOM 313 O VAL A 24 2.573 3.587 6.318 1.00 0.00 O ATOM 314 CB VAL A 24 0.847 5.081 8.774 1.00 0.00 C ATOM 315 CG1 VAL A 24 2.196 5.767 8.583 1.00 0.00 C ATOM 316 CG2 VAL A 24 -0.272 6.105 8.611 1.00 0.00 C ATOM 0 H VAL A 24 -0.637 3.187 9.141 1.00 0.00 H new ATOM 0 HA VAL A 24 0.269 4.419 6.824 1.00 0.00 H new ATOM 0 HB VAL A 24 0.800 4.646 9.772 1.00 0.00 H new ATOM 0 HG11 VAL A 24 2.313 6.554 9.328 1.00 0.00 H new ATOM 0 HG12 VAL A 24 2.996 5.036 8.699 1.00 0.00 H new ATOM 0 HG13 VAL A 24 2.245 6.202 7.585 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -0.156 6.893 9.355 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -0.225 6.540 7.613 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -1.236 5.615 8.748 1.00 0.00 H new ATOM 326 N ASP A 25 2.564 2.551 8.318 1.00 0.00 N ATOM 327 CA ASP A 25 3.840 1.895 8.114 1.00 0.00 C ATOM 328 C ASP A 25 3.913 1.339 6.699 1.00 0.00 C ATOM 329 O ASP A 25 4.933 1.492 6.025 1.00 0.00 O ATOM 330 CB ASP A 25 4.008 0.780 9.142 1.00 0.00 C ATOM 331 CG ASP A 25 5.403 0.177 9.067 1.00 0.00 C ATOM 332 OD1 ASP A 25 6.352 0.889 9.462 1.00 0.00 O ATOM 333 OD2 ASP A 25 5.496 -0.985 8.615 1.00 0.00 O ATOM 0 H ASP A 25 2.125 2.346 9.216 1.00 0.00 H new ATOM 0 HA ASP A 25 4.648 2.615 8.243 1.00 0.00 H new ATOM 0 HB2 ASP A 25 3.831 1.173 10.143 1.00 0.00 H new ATOM 0 HB3 ASP A 25 3.262 0.004 8.968 1.00 0.00 H new ATOM 338 N LEU A 26 2.835 0.698 6.252 1.00 0.00 N ATOM 339 CA LEU A 26 2.776 0.104 4.916 1.00 0.00 C ATOM 340 C LEU A 26 2.978 1.149 3.817 1.00 0.00 C ATOM 341 O LEU A 26 3.840 1.005 2.953 1.00 0.00 O ATOM 342 CB LEU A 26 1.431 -0.601 4.725 1.00 0.00 C ATOM 343 CG LEU A 26 1.117 -1.693 5.770 1.00 0.00 C ATOM 344 CD1 LEU A 26 0.724 -3.006 5.100 1.00 0.00 C ATOM 345 CD2 LEU A 26 2.304 -1.912 6.701 1.00 0.00 C ATOM 0 H LEU A 26 1.983 0.576 6.800 1.00 0.00 H new ATOM 0 HA LEU A 26 3.588 -0.618 4.836 1.00 0.00 H new ATOM 0 HB2 LEU A 26 0.638 0.146 4.752 1.00 0.00 H new ATOM 0 HB3 LEU A 26 1.411 -1.051 3.733 1.00 0.00 H new ATOM 0 HG LEU A 26 0.270 -1.346 6.361 1.00 0.00 H new ATOM 0 HD11 LEU A 26 0.509 -3.754 5.863 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -0.163 -2.850 4.485 1.00 0.00 H new ATOM 0 HD13 LEU A 26 1.544 -3.354 4.472 1.00 0.00 H new ATOM 0 HD21 LEU A 26 2.058 -2.686 7.428 1.00 0.00 H new ATOM 0 HD22 LEU A 26 3.171 -2.224 6.118 1.00 0.00 H new ATOM 0 HD23 LEU A 26 2.533 -0.983 7.223 1.00 0.00 H new ATOM 357 N ALA A 27 2.162 2.205 3.857 1.00 0.00 N ATOM 358 CA ALA A 27 2.238 3.268 2.874 1.00 0.00 C ATOM 359 C ALA A 27 3.610 3.925 2.930 1.00 0.00 C ATOM 360 O ALA A 27 4.260 4.097 1.901 1.00 0.00 O ATOM 361 CB ALA A 27 1.137 4.290 3.146 1.00 0.00 C ATOM 0 H ALA A 27 1.441 2.339 4.566 1.00 0.00 H new ATOM 0 HA ALA A 27 2.095 2.856 1.875 1.00 0.00 H new ATOM 0 HB1 ALA A 27 1.193 5.090 2.408 1.00 0.00 H new ATOM 0 HB2 ALA A 27 0.164 3.803 3.080 1.00 0.00 H new ATOM 0 HB3 ALA A 27 1.267 4.708 4.144 1.00 0.00 H new ATOM 367 N ARG A 28 4.049 4.292 4.136 1.00 0.00 N ATOM 368 CA ARG A 28 5.337 4.929 4.320 1.00 0.00 C ATOM 369 C ARG A 28 6.447 3.982 3.883 1.00 0.00 C ATOM 370 O ARG A 28 7.506 4.423 3.443 1.00 0.00 O ATOM 371 CB ARG A 28 5.506 5.319 5.785 1.00 0.00 C ATOM 372 CG ARG A 28 4.971 6.732 6.000 1.00 0.00 C ATOM 373 CD ARG A 28 6.139 7.708 6.108 1.00 0.00 C ATOM 374 NE ARG A 28 5.663 9.080 6.286 1.00 0.00 N ATOM 375 CZ ARG A 28 6.254 9.952 7.114 1.00 0.00 C ATOM 376 NH1 ARG A 28 7.330 9.581 7.820 1.00 0.00 N ATOM 377 NH2 ARG A 28 5.770 11.196 7.234 1.00 0.00 N ATOM 0 H ARG A 28 3.522 4.154 4.998 1.00 0.00 H new ATOM 0 HA ARG A 28 5.392 5.830 3.709 1.00 0.00 H new ATOM 0 HB2 ARG A 28 4.972 4.615 6.424 1.00 0.00 H new ATOM 0 HB3 ARG A 28 6.558 5.270 6.066 1.00 0.00 H new ATOM 0 HG2 ARG A 28 4.321 7.016 5.172 1.00 0.00 H new ATOM 0 HG3 ARG A 28 4.367 6.769 6.907 1.00 0.00 H new ATOM 0 HD2 ARG A 28 6.774 7.428 6.948 1.00 0.00 H new ATOM 0 HD3 ARG A 28 6.753 7.646 5.210 1.00 0.00 H new ATOM 0 HE ARG A 28 4.846 9.386 5.757 1.00 0.00 H new ATOM 0 HH11 ARG A 28 7.699 8.635 7.727 1.00 0.00 H new ATOM 0 HH12 ARG A 28 7.780 10.245 8.450 1.00 0.00 H new ATOM 0 HH21 ARG A 28 4.952 11.479 6.695 1.00 0.00 H new ATOM 0 HH22 ARG A 28 6.220 11.860 7.864 1.00 0.00 H new ATOM 391 N PHE A 29 6.201 2.675 4.006 1.00 0.00 N ATOM 392 CA PHE A 29 7.178 1.676 3.623 1.00 0.00 C ATOM 393 C PHE A 29 7.367 1.690 2.113 1.00 0.00 C ATOM 394 O PHE A 29 8.495 1.685 1.625 1.00 0.00 O ATOM 395 CB PHE A 29 6.711 0.303 4.098 1.00 0.00 C ATOM 396 CG PHE A 29 7.354 -0.842 3.352 1.00 0.00 C ATOM 397 CD1 PHE A 29 8.733 -0.836 3.111 1.00 0.00 C ATOM 398 CD2 PHE A 29 6.570 -1.913 2.905 1.00 0.00 C ATOM 399 CE1 PHE A 29 9.328 -1.899 2.422 1.00 0.00 C ATOM 400 CE2 PHE A 29 7.166 -2.976 2.216 1.00 0.00 C ATOM 401 CZ PHE A 29 8.545 -2.968 1.974 1.00 0.00 C ATOM 0 H PHE A 29 5.328 2.292 4.370 1.00 0.00 H new ATOM 0 HA PHE A 29 8.137 1.901 4.090 1.00 0.00 H new ATOM 0 HB2 PHE A 29 6.929 0.202 5.161 1.00 0.00 H new ATOM 0 HB3 PHE A 29 5.629 0.237 3.986 1.00 0.00 H new ATOM 0 HD1 PHE A 29 9.338 -0.011 3.457 1.00 0.00 H new ATOM 0 HD2 PHE A 29 5.506 -1.919 3.092 1.00 0.00 H new ATOM 0 HE1 PHE A 29 10.392 -1.894 2.236 1.00 0.00 H new ATOM 0 HE2 PHE A 29 6.562 -3.802 1.871 1.00 0.00 H new ATOM 0 HZ PHE A 29 9.004 -3.787 1.441 1.00 0.00 H new ATOM 411 N ALA A 30 6.257 1.708 1.372 1.00 0.00 N ATOM 412 CA ALA A 30 6.304 1.721 -0.077 1.00 0.00 C ATOM 413 C ALA A 30 7.222 2.840 -0.552 1.00 0.00 C ATOM 414 O ALA A 30 8.285 2.577 -1.112 1.00 0.00 O ATOM 415 CB ALA A 30 4.895 1.907 -0.630 1.00 0.00 C ATOM 0 H ALA A 30 5.314 1.714 1.761 1.00 0.00 H new ATOM 0 HA ALA A 30 6.700 0.773 -0.441 1.00 0.00 H new ATOM 0 HB1 ALA A 30 4.930 1.917 -1.719 1.00 0.00 H new ATOM 0 HB2 ALA A 30 4.261 1.086 -0.295 1.00 0.00 H new ATOM 0 HB3 ALA A 30 4.485 2.851 -0.272 1.00 0.00 H new ATOM 421 N VAL A 31 6.809 4.089 -0.328 1.00 0.00 N ATOM 422 CA VAL A 31 7.593 5.238 -0.732 1.00 0.00 C ATOM 423 C VAL A 31 9.056 5.012 -0.383 1.00 0.00 C ATOM 424 O VAL A 31 9.942 5.330 -1.173 1.00 0.00 O ATOM 425 CB VAL A 31 7.057 6.487 -0.039 1.00 0.00 C ATOM 426 CG1 VAL A 31 7.527 7.729 -0.793 1.00 0.00 C ATOM 427 CG2 VAL A 31 5.532 6.448 -0.025 1.00 0.00 C ATOM 0 H VAL A 31 5.930 4.322 0.134 1.00 0.00 H new ATOM 0 HA VAL A 31 7.515 5.376 -1.810 1.00 0.00 H new ATOM 0 HB VAL A 31 7.428 6.521 0.985 1.00 0.00 H new ATOM 0 HG11 VAL A 31 7.144 8.622 -0.298 1.00 0.00 H new ATOM 0 HG12 VAL A 31 8.617 7.758 -0.802 1.00 0.00 H new ATOM 0 HG13 VAL A 31 7.156 7.695 -1.817 1.00 0.00 H new ATOM 0 HG21 VAL A 31 5.150 7.341 0.470 1.00 0.00 H new ATOM 0 HG22 VAL A 31 5.160 6.413 -1.049 1.00 0.00 H new ATOM 0 HG23 VAL A 31 5.196 5.562 0.514 1.00 0.00 H new ATOM 437 N THR A 32 9.309 4.461 0.806 1.00 0.00 N ATOM 438 CA THR A 32 10.663 4.195 1.249 1.00 0.00 C ATOM 439 C THR A 32 11.334 3.207 0.307 1.00 0.00 C ATOM 440 O THR A 32 12.276 3.558 -0.401 1.00 0.00 O ATOM 441 CB THR A 32 10.633 3.648 2.674 1.00 0.00 C ATOM 442 OG1 THR A 32 10.365 4.698 3.575 1.00 0.00 O ATOM 443 CG2 THR A 32 11.984 3.023 3.007 1.00 0.00 C ATOM 0 H THR A 32 8.587 4.193 1.474 1.00 0.00 H new ATOM 0 HA THR A 32 11.239 5.120 1.240 1.00 0.00 H new ATOM 0 HB THR A 32 9.853 2.891 2.757 1.00 0.00 H new ATOM 0 HG1 THR A 32 9.396 4.793 3.688 1.00 0.00 H new ATOM 0 HG21 THR A 32 11.963 2.632 4.024 1.00 0.00 H new ATOM 0 HG22 THR A 32 12.191 2.211 2.310 1.00 0.00 H new ATOM 0 HG23 THR A 32 12.765 3.779 2.925 1.00 0.00 H new ATOM 451 N GLU A 33 10.844 1.965 0.298 1.00 0.00 N ATOM 452 CA GLU A 33 11.396 0.934 -0.558 1.00 0.00 C ATOM 453 C GLU A 33 11.679 1.503 -1.942 1.00 0.00 C ATOM 454 O GLU A 33 12.783 1.340 -2.461 1.00 0.00 O ATOM 455 CB GLU A 33 10.416 -0.233 -0.645 1.00 0.00 C ATOM 456 CG GLU A 33 11.021 -1.343 -1.498 1.00 0.00 C ATOM 457 CD GLU A 33 9.932 -2.211 -2.111 1.00 0.00 C ATOM 458 OE1 GLU A 33 9.078 -1.634 -2.818 1.00 0.00 O ATOM 459 OE2 GLU A 33 9.974 -3.435 -1.862 1.00 0.00 O ATOM 0 H GLU A 33 10.064 1.657 0.879 1.00 0.00 H new ATOM 0 HA GLU A 33 12.335 0.575 -0.137 1.00 0.00 H new ATOM 0 HB2 GLU A 33 10.192 -0.608 0.353 1.00 0.00 H new ATOM 0 HB3 GLU A 33 9.474 0.101 -1.079 1.00 0.00 H new ATOM 0 HG2 GLU A 33 11.633 -0.908 -2.288 1.00 0.00 H new ATOM 0 HG3 GLU A 33 11.681 -1.958 -0.887 1.00 0.00 H new ATOM 466 N HIS A 34 10.680 2.170 -2.529 1.00 0.00 N ATOM 467 CA HIS A 34 10.813 2.784 -3.852 1.00 0.00 C ATOM 468 C HIS A 34 11.978 3.791 -3.863 1.00 0.00 C ATOM 469 O HIS A 34 12.829 3.723 -4.747 1.00 0.00 O ATOM 470 CB HIS A 34 9.497 3.456 -4.262 1.00 0.00 C ATOM 471 CG HIS A 34 9.469 3.868 -5.702 1.00 0.00 C ATOM 472 ND1 HIS A 34 8.355 3.723 -6.502 1.00 0.00 N ATOM 473 CD2 HIS A 34 10.427 4.411 -6.490 1.00 0.00 C ATOM 474 CE1 HIS A 34 8.629 4.159 -7.720 1.00 0.00 C ATOM 475 NE2 HIS A 34 9.878 4.583 -7.737 1.00 0.00 N ATOM 0 H HIS A 34 9.762 2.298 -2.103 1.00 0.00 H new ATOM 0 HA HIS A 34 11.036 2.004 -4.580 1.00 0.00 H new ATOM 0 HB2 HIS A 34 8.671 2.771 -4.071 1.00 0.00 H new ATOM 0 HB3 HIS A 34 9.334 4.334 -3.636 1.00 0.00 H new ATOM 0 HD1 HIS A 34 7.459 3.339 -6.201 1.00 0.00 H new ATOM 0 HD2 HIS A 34 11.435 4.662 -6.193 1.00 0.00 H new ATOM 0 HE1 HIS A 34 7.947 4.167 -8.557 1.00 0.00 H new ATOM 484 N ASN A 35 12.001 4.718 -2.903 1.00 0.00 N ATOM 485 CA ASN A 35 13.046 5.720 -2.835 1.00 0.00 C ATOM 486 C ASN A 35 14.403 5.045 -2.691 1.00 0.00 C ATOM 487 O ASN A 35 15.434 5.644 -2.989 1.00 0.00 O ATOM 488 CB ASN A 35 12.779 6.652 -1.657 1.00 0.00 C ATOM 489 CG ASN A 35 11.678 7.649 -1.992 1.00 0.00 C ATOM 490 OD1 ASN A 35 11.543 8.673 -1.327 1.00 0.00 O ATOM 491 ND2 ASN A 35 10.893 7.348 -3.029 1.00 0.00 N ATOM 0 H ASN A 35 11.302 4.789 -2.164 1.00 0.00 H new ATOM 0 HA ASN A 35 13.051 6.307 -3.753 1.00 0.00 H new ATOM 0 HB2 ASN A 35 12.492 6.067 -0.783 1.00 0.00 H new ATOM 0 HB3 ASN A 35 13.693 7.187 -1.397 1.00 0.00 H new ATOM 0 HD21 ASN A 35 10.141 7.981 -3.300 1.00 0.00 H new ATOM 0 HD22 ASN A 35 11.045 6.485 -3.550 1.00 0.00 H new ATOM 498 N LYS A 36 14.399 3.790 -2.235 1.00 0.00 N ATOM 499 CA LYS A 36 15.627 3.041 -2.055 1.00 0.00 C ATOM 500 C LYS A 36 16.134 2.545 -3.401 1.00 0.00 C ATOM 501 O LYS A 36 17.308 2.706 -3.724 1.00 0.00 O ATOM 502 CB LYS A 36 15.373 1.870 -1.109 1.00 0.00 C ATOM 503 CG LYS A 36 16.706 1.294 -0.644 1.00 0.00 C ATOM 504 CD LYS A 36 17.122 0.156 -1.572 1.00 0.00 C ATOM 505 CE LYS A 36 18.239 -0.652 -0.920 1.00 0.00 C ATOM 506 NZ LYS A 36 18.309 -2.008 -1.484 1.00 0.00 N ATOM 0 H LYS A 36 13.553 3.278 -1.986 1.00 0.00 H new ATOM 0 HA LYS A 36 16.389 3.687 -1.619 1.00 0.00 H new ATOM 0 HB2 LYS A 36 14.789 2.202 -0.251 1.00 0.00 H new ATOM 0 HB3 LYS A 36 14.789 1.101 -1.614 1.00 0.00 H new ATOM 0 HG2 LYS A 36 17.469 2.072 -0.641 1.00 0.00 H new ATOM 0 HG3 LYS A 36 16.619 0.929 0.379 1.00 0.00 H new ATOM 0 HD2 LYS A 36 16.268 -0.488 -1.780 1.00 0.00 H new ATOM 0 HD3 LYS A 36 17.460 0.557 -2.528 1.00 0.00 H new ATOM 0 HE2 LYS A 36 19.192 -0.144 -1.066 1.00 0.00 H new ATOM 0 HE3 LYS A 36 18.070 -0.710 0.155 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 18.464 -2.695 -0.719 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 17.417 -2.228 -1.971 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 19.096 -2.062 -2.162 1.00 0.00 H new ATOM 520 N LYS A 37 15.242 1.941 -4.189 1.00 0.00 N ATOM 521 CA LYS A 37 15.601 1.425 -5.495 1.00 0.00 C ATOM 522 C LYS A 37 15.449 2.520 -6.543 1.00 0.00 C ATOM 523 O LYS A 37 15.642 2.275 -7.732 1.00 0.00 O ATOM 524 CB LYS A 37 14.716 0.228 -5.830 1.00 0.00 C ATOM 525 CG LYS A 37 15.592 -0.947 -6.254 1.00 0.00 C ATOM 526 CD LYS A 37 16.209 -1.595 -5.017 1.00 0.00 C ATOM 527 CE LYS A 37 17.723 -1.675 -5.187 1.00 0.00 C ATOM 528 NZ LYS A 37 18.249 -2.935 -4.638 1.00 0.00 N ATOM 0 H LYS A 37 14.264 1.801 -3.936 1.00 0.00 H new ATOM 0 HA LYS A 37 16.641 1.099 -5.488 1.00 0.00 H new ATOM 0 HB2 LYS A 37 14.114 -0.047 -4.964 1.00 0.00 H new ATOM 0 HB3 LYS A 37 14.023 0.487 -6.631 1.00 0.00 H new ATOM 0 HG2 LYS A 37 14.998 -1.678 -6.802 1.00 0.00 H new ATOM 0 HG3 LYS A 37 16.377 -0.604 -6.928 1.00 0.00 H new ATOM 0 HD2 LYS A 37 15.962 -1.015 -4.128 1.00 0.00 H new ATOM 0 HD3 LYS A 37 15.795 -2.593 -4.871 1.00 0.00 H new ATOM 0 HE2 LYS A 37 17.978 -1.600 -6.244 1.00 0.00 H new ATOM 0 HE3 LYS A 37 18.194 -0.830 -4.684 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 19.219 -2.786 -4.295 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 17.647 -3.248 -3.850 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 18.252 -3.663 -5.381 1.00 0.00 H new ATOM 542 N ALA A 38 15.101 3.728 -6.098 1.00 0.00 N ATOM 543 CA ALA A 38 14.923 4.852 -6.996 1.00 0.00 C ATOM 544 C ALA A 38 15.653 6.070 -6.448 1.00 0.00 C ATOM 545 O ALA A 38 15.408 7.192 -6.884 1.00 0.00 O ATOM 546 CB ALA A 38 13.434 5.141 -7.158 1.00 0.00 C ATOM 0 H ALA A 38 14.938 3.946 -5.115 1.00 0.00 H new ATOM 0 HA ALA A 38 15.341 4.612 -7.974 1.00 0.00 H new ATOM 0 HB1 ALA A 38 13.299 5.986 -7.833 1.00 0.00 H new ATOM 0 HB2 ALA A 38 12.936 4.264 -7.571 1.00 0.00 H new ATOM 0 HB3 ALA A 38 13.002 5.380 -6.186 1.00 0.00 H new ATOM 552 N ASN A 39 16.554 5.846 -5.489 1.00 0.00 N ATOM 553 CA ASN A 39 17.313 6.925 -4.888 1.00 0.00 C ATOM 554 C ASN A 39 16.390 8.091 -4.563 1.00 0.00 C ATOM 555 O ASN A 39 16.793 9.249 -4.652 1.00 0.00 O ATOM 556 CB ASN A 39 18.418 7.361 -5.847 1.00 0.00 C ATOM 557 CG ASN A 39 19.720 6.633 -5.543 1.00 0.00 C ATOM 558 OD1 ASN A 39 20.639 7.214 -4.972 1.00 0.00 O ATOM 559 ND2 ASN A 39 19.794 5.355 -5.924 1.00 0.00 N ATOM 0 H ASN A 39 16.770 4.921 -5.117 1.00 0.00 H new ATOM 0 HA ASN A 39 17.768 6.581 -3.959 1.00 0.00 H new ATOM 0 HB2 ASN A 39 18.115 7.158 -6.874 1.00 0.00 H new ATOM 0 HB3 ASN A 39 18.571 8.437 -5.767 1.00 0.00 H new ATOM 0 HD21 ASN A 39 20.642 4.817 -5.743 1.00 0.00 H new ATOM 0 HD22 ASN A 39 19.003 4.917 -6.396 1.00 0.00 H new ATOM 566 N SER A 40 15.149 7.781 -4.186 1.00 0.00 N ATOM 567 CA SER A 40 14.176 8.801 -3.848 1.00 0.00 C ATOM 568 C SER A 40 13.747 9.543 -5.106 1.00 0.00 C ATOM 569 O SER A 40 14.512 9.631 -6.068 1.00 0.00 O ATOM 570 CB SER A 40 14.783 9.765 -2.833 1.00 0.00 C ATOM 571 OG SER A 40 15.601 9.047 -1.935 1.00 0.00 O ATOM 0 H SER A 40 14.800 6.826 -4.109 1.00 0.00 H new ATOM 0 HA SER A 40 13.295 8.336 -3.407 1.00 0.00 H new ATOM 0 HB2 SER A 40 15.369 10.528 -3.345 1.00 0.00 H new ATOM 0 HB3 SER A 40 13.993 10.282 -2.288 1.00 0.00 H new ATOM 0 HG SER A 40 15.993 9.665 -1.284 1.00 0.00 H new ATOM 577 N LEU A 41 12.526 10.076 -5.097 1.00 0.00 N ATOM 578 CA LEU A 41 11.983 10.806 -6.243 1.00 0.00 C ATOM 579 C LEU A 41 10.824 11.721 -5.842 1.00 0.00 C ATOM 580 O LEU A 41 10.716 12.852 -6.317 1.00 0.00 O ATOM 581 CB LEU A 41 11.520 9.813 -7.312 1.00 0.00 C ATOM 582 CG LEU A 41 10.016 9.467 -7.267 1.00 0.00 C ATOM 583 CD1 LEU A 41 9.561 8.801 -8.562 1.00 0.00 C ATOM 584 CD2 LEU A 41 9.701 8.569 -6.075 1.00 0.00 C ATOM 0 H LEU A 41 11.889 10.015 -4.302 1.00 0.00 H new ATOM 0 HA LEU A 41 12.776 11.439 -6.642 1.00 0.00 H new ATOM 0 HB2 LEU A 41 11.755 10.223 -8.294 1.00 0.00 H new ATOM 0 HB3 LEU A 41 12.094 8.892 -7.205 1.00 0.00 H new ATOM 0 HG LEU A 41 9.468 10.402 -7.154 1.00 0.00 H new ATOM 0 HD11 LEU A 41 8.498 8.570 -8.498 1.00 0.00 H new ATOM 0 HD12 LEU A 41 9.736 9.476 -9.399 1.00 0.00 H new ATOM 0 HD13 LEU A 41 10.124 7.880 -8.715 1.00 0.00 H new ATOM 0 HD21 LEU A 41 8.636 8.339 -6.064 1.00 0.00 H new ATOM 0 HD22 LEU A 41 10.271 7.644 -6.156 1.00 0.00 H new ATOM 0 HD23 LEU A 41 9.971 9.082 -5.152 1.00 0.00 H new ATOM 596 N LEU A 42 9.956 11.213 -4.967 1.00 0.00 N ATOM 597 CA LEU A 42 8.787 11.961 -4.502 1.00 0.00 C ATOM 598 C LEU A 42 8.921 12.377 -3.034 1.00 0.00 C ATOM 599 O LEU A 42 9.954 12.164 -2.405 1.00 0.00 O ATOM 600 CB LEU A 42 7.527 11.115 -4.693 1.00 0.00 C ATOM 601 CG LEU A 42 6.829 11.291 -6.058 1.00 0.00 C ATOM 602 CD1 LEU A 42 6.700 9.957 -6.790 1.00 0.00 C ATOM 603 CD2 LEU A 42 5.457 11.932 -5.890 1.00 0.00 C ATOM 0 H LEU A 42 10.041 10.280 -4.563 1.00 0.00 H new ATOM 0 HA LEU A 42 8.715 12.873 -5.095 1.00 0.00 H new ATOM 0 HB2 LEU A 42 7.790 10.065 -4.568 1.00 0.00 H new ATOM 0 HB3 LEU A 42 6.817 11.362 -3.903 1.00 0.00 H new ATOM 0 HG LEU A 42 7.451 11.953 -6.660 1.00 0.00 H new ATOM 0 HD11 LEU A 42 6.204 10.114 -7.748 1.00 0.00 H new ATOM 0 HD12 LEU A 42 7.692 9.537 -6.959 1.00 0.00 H new ATOM 0 HD13 LEU A 42 6.112 9.266 -6.186 1.00 0.00 H new ATOM 0 HD21 LEU A 42 4.986 12.045 -6.867 1.00 0.00 H new ATOM 0 HD22 LEU A 42 4.834 11.299 -5.258 1.00 0.00 H new ATOM 0 HD23 LEU A 42 5.568 12.912 -5.425 1.00 0.00 H new ATOM 615 N GLU A 43 7.856 12.979 -2.498 1.00 0.00 N ATOM 616 CA GLU A 43 7.847 13.427 -1.121 1.00 0.00 C ATOM 617 C GLU A 43 6.496 13.131 -0.486 1.00 0.00 C ATOM 618 O GLU A 43 5.586 13.957 -0.540 1.00 0.00 O ATOM 619 CB GLU A 43 8.153 14.921 -1.071 1.00 0.00 C ATOM 620 CG GLU A 43 8.705 15.283 0.304 1.00 0.00 C ATOM 621 CD GLU A 43 9.674 16.452 0.210 1.00 0.00 C ATOM 622 OE1 GLU A 43 9.235 17.514 -0.279 1.00 0.00 O ATOM 623 OE2 GLU A 43 10.836 16.262 0.631 1.00 0.00 O ATOM 0 H GLU A 43 6.991 13.163 -3.006 1.00 0.00 H new ATOM 0 HA GLU A 43 8.612 12.893 -0.558 1.00 0.00 H new ATOM 0 HB2 GLU A 43 8.876 15.181 -1.844 1.00 0.00 H new ATOM 0 HB3 GLU A 43 7.249 15.495 -1.274 1.00 0.00 H new ATOM 0 HG2 GLU A 43 7.884 15.539 0.974 1.00 0.00 H new ATOM 0 HG3 GLU A 43 9.211 14.420 0.736 1.00 0.00 H new ATOM 630 N PHE A 44 6.365 11.947 0.117 1.00 0.00 N ATOM 631 CA PHE A 44 5.129 11.550 0.758 1.00 0.00 C ATOM 632 C PHE A 44 4.568 12.712 1.564 1.00 0.00 C ATOM 633 O PHE A 44 5.288 13.343 2.335 1.00 0.00 O ATOM 634 CB PHE A 44 5.387 10.344 1.656 1.00 0.00 C ATOM 635 CG PHE A 44 4.272 10.072 2.637 1.00 0.00 C ATOM 636 CD1 PHE A 44 4.064 10.938 3.717 1.00 0.00 C ATOM 637 CD2 PHE A 44 3.449 8.952 2.468 1.00 0.00 C ATOM 638 CE1 PHE A 44 3.031 10.685 4.628 1.00 0.00 C ATOM 639 CE2 PHE A 44 2.416 8.699 3.379 1.00 0.00 C ATOM 640 CZ PHE A 44 2.207 9.566 4.459 1.00 0.00 C ATOM 0 H PHE A 44 7.108 11.251 0.170 1.00 0.00 H new ATOM 0 HA PHE A 44 4.396 11.273 0.001 1.00 0.00 H new ATOM 0 HB2 PHE A 44 5.534 9.462 1.033 1.00 0.00 H new ATOM 0 HB3 PHE A 44 6.314 10.503 2.207 1.00 0.00 H new ATOM 0 HD1 PHE A 44 4.700 11.801 3.848 1.00 0.00 H new ATOM 0 HD2 PHE A 44 3.611 8.283 1.635 1.00 0.00 H new ATOM 0 HE1 PHE A 44 2.870 11.353 5.461 1.00 0.00 H new ATOM 0 HE2 PHE A 44 1.781 7.835 3.249 1.00 0.00 H new ATOM 0 HZ PHE A 44 1.410 9.371 5.161 1.00 0.00 H new ATOM 650 N GLU A 45 3.275 12.996 1.385 1.00 0.00 N ATOM 651 CA GLU A 45 2.627 14.079 2.096 1.00 0.00 C ATOM 652 C GLU A 45 1.842 13.528 3.277 1.00 0.00 C ATOM 653 O GLU A 45 1.987 14.004 4.402 1.00 0.00 O ATOM 654 CB GLU A 45 1.707 14.835 1.141 1.00 0.00 C ATOM 655 CG GLU A 45 0.737 15.698 1.944 1.00 0.00 C ATOM 656 CD GLU A 45 0.711 17.123 1.411 1.00 0.00 C ATOM 657 OE1 GLU A 45 1.677 17.859 1.712 1.00 0.00 O ATOM 658 OE2 GLU A 45 -0.274 17.451 0.716 1.00 0.00 O ATOM 0 H GLU A 45 2.663 12.484 0.750 1.00 0.00 H new ATOM 0 HA GLU A 45 3.380 14.768 2.478 1.00 0.00 H new ATOM 0 HB2 GLU A 45 2.296 15.460 0.470 1.00 0.00 H new ATOM 0 HB3 GLU A 45 1.154 14.131 0.518 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -0.264 15.269 1.896 1.00 0.00 H new ATOM 0 HG3 GLU A 45 1.031 15.703 2.994 1.00 0.00 H new ATOM 665 N LYS A 46 1.005 12.519 3.020 1.00 0.00 N ATOM 666 CA LYS A 46 0.204 11.908 4.061 1.00 0.00 C ATOM 667 C LYS A 46 -0.601 10.752 3.484 1.00 0.00 C ATOM 668 O LYS A 46 -0.434 10.400 2.315 1.00 0.00 O ATOM 669 CB LYS A 46 -0.721 12.957 4.671 1.00 0.00 C ATOM 670 CG LYS A 46 -1.733 13.414 3.624 1.00 0.00 C ATOM 671 CD LYS A 46 -2.724 14.384 4.262 1.00 0.00 C ATOM 672 CE LYS A 46 -4.114 14.148 3.678 1.00 0.00 C ATOM 673 NZ LYS A 46 -4.767 12.996 4.319 1.00 0.00 N ATOM 0 H LYS A 46 0.871 12.113 2.094 1.00 0.00 H new ATOM 0 HA LYS A 46 0.856 11.516 4.842 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -1.239 12.542 5.536 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -0.139 13.808 5.026 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -1.219 13.897 2.793 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -2.262 12.554 3.215 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -2.743 14.243 5.343 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -2.411 15.412 4.080 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -4.726 15.040 3.815 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -4.037 13.976 2.604 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -5.689 12.825 3.870 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -4.168 12.153 4.211 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -4.906 13.194 5.330 1.00 0.00 H new ATOM 687 N LEU A 47 -1.471 10.163 4.303 1.00 0.00 N ATOM 688 CA LEU A 47 -2.300 9.033 3.882 1.00 0.00 C ATOM 689 C LEU A 47 -3.792 9.371 3.923 1.00 0.00 C ATOM 690 O LEU A 47 -4.248 10.133 4.773 1.00 0.00 O ATOM 691 CB LEU A 47 -2.013 7.825 4.778 1.00 0.00 C ATOM 692 CG LEU A 47 -3.106 6.735 4.766 1.00 0.00 C ATOM 693 CD1 LEU A 47 -2.968 5.826 3.548 1.00 0.00 C ATOM 694 CD2 LEU A 47 -3.067 5.909 6.045 1.00 0.00 C ATOM 0 H LEU A 47 -1.621 10.452 5.270 1.00 0.00 H new ATOM 0 HA LEU A 47 -2.046 8.798 2.848 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -1.069 7.377 4.468 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -1.879 8.174 5.802 1.00 0.00 H new ATOM 0 HG LEU A 47 -4.070 7.240 4.708 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -3.752 5.069 3.568 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -3.060 6.420 2.639 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -1.993 5.339 3.566 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -3.847 5.148 6.011 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -2.094 5.427 6.137 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -3.232 6.560 6.904 1.00 0.00 H new ATOM 706 N VAL A 48 -4.548 8.795 2.985 1.00 0.00 N ATOM 707 CA VAL A 48 -5.975 9.029 2.902 1.00 0.00 C ATOM 708 C VAL A 48 -6.726 7.868 3.539 1.00 0.00 C ATOM 709 O VAL A 48 -7.428 8.049 4.531 1.00 0.00 O ATOM 710 CB VAL A 48 -6.378 9.197 1.440 1.00 0.00 C ATOM 711 CG1 VAL A 48 -7.740 9.881 1.363 1.00 0.00 C ATOM 712 CG2 VAL A 48 -5.339 10.053 0.721 1.00 0.00 C ATOM 0 H VAL A 48 -4.185 8.161 2.273 1.00 0.00 H new ATOM 0 HA VAL A 48 -6.230 9.941 3.442 1.00 0.00 H new ATOM 0 HB VAL A 48 -6.435 8.218 0.964 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -8.028 10.001 0.319 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -8.483 9.271 1.877 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -7.683 10.860 1.839 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -5.626 10.173 -0.324 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -5.282 11.032 1.197 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -4.365 9.566 0.776 1.00 0.00 H new ATOM 722 N SER A 49 -6.576 6.672 2.965 1.00 0.00 N ATOM 723 CA SER A 49 -7.237 5.490 3.480 1.00 0.00 C ATOM 724 C SER A 49 -6.491 4.242 3.028 1.00 0.00 C ATOM 725 O SER A 49 -5.464 4.337 2.360 1.00 0.00 O ATOM 726 CB SER A 49 -8.682 5.464 2.990 1.00 0.00 C ATOM 727 OG SER A 49 -9.505 6.134 3.918 1.00 0.00 O ATOM 0 H SER A 49 -5.999 6.505 2.141 1.00 0.00 H new ATOM 0 HA SER A 49 -7.236 5.513 4.570 1.00 0.00 H new ATOM 0 HB2 SER A 49 -8.754 5.941 2.013 1.00 0.00 H new ATOM 0 HB3 SER A 49 -9.017 4.434 2.868 1.00 0.00 H new ATOM 0 HG SER A 49 -8.988 6.835 4.367 1.00 0.00 H new ATOM 733 N VAL A 50 -7.012 3.069 3.395 1.00 0.00 N ATOM 734 CA VAL A 50 -6.397 1.810 3.028 1.00 0.00 C ATOM 735 C VAL A 50 -7.418 0.687 3.137 1.00 0.00 C ATOM 736 O VAL A 50 -8.158 0.610 4.116 1.00 0.00 O ATOM 737 CB VAL A 50 -5.201 1.545 3.937 1.00 0.00 C ATOM 738 CG1 VAL A 50 -5.622 1.713 5.394 1.00 0.00 C ATOM 739 CG2 VAL A 50 -4.699 0.122 3.714 1.00 0.00 C ATOM 0 H VAL A 50 -7.863 2.974 3.949 1.00 0.00 H new ATOM 0 HA VAL A 50 -6.048 1.858 1.996 1.00 0.00 H new ATOM 0 HB VAL A 50 -4.405 2.252 3.705 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -4.768 1.524 6.044 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -5.981 2.730 5.554 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -6.418 1.006 5.626 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -3.844 -0.068 4.363 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -5.495 -0.585 3.946 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -4.398 0.001 2.673 1.00 0.00 H new ATOM 749 N LYS A 51 -7.458 -0.187 2.128 1.00 0.00 N ATOM 750 CA LYS A 51 -8.385 -1.300 2.118 1.00 0.00 C ATOM 751 C LYS A 51 -7.672 -2.573 2.546 1.00 0.00 C ATOM 752 O LYS A 51 -6.471 -2.559 2.807 1.00 0.00 O ATOM 753 CB LYS A 51 -8.976 -1.454 0.719 1.00 0.00 C ATOM 754 CG LYS A 51 -10.245 -0.614 0.607 1.00 0.00 C ATOM 755 CD LYS A 51 -10.415 -0.140 -0.833 1.00 0.00 C ATOM 756 CE LYS A 51 -11.717 0.648 -0.959 1.00 0.00 C ATOM 757 NZ LYS A 51 -12.878 -0.254 -1.001 1.00 0.00 N ATOM 0 H LYS A 51 -6.853 -0.137 1.308 1.00 0.00 H new ATOM 0 HA LYS A 51 -9.195 -1.110 2.823 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -8.251 -1.138 -0.031 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -9.202 -2.502 0.522 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -11.111 -1.201 0.913 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -10.188 0.242 1.279 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -9.570 0.484 -1.124 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -10.428 -0.995 -1.509 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -11.815 1.333 -0.117 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -11.692 1.256 -1.863 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -13.746 0.303 -1.138 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -12.769 -0.924 -1.789 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -12.942 -0.780 -0.106 1.00 0.00 H new ATOM 771 N GLN A 52 -8.416 -3.680 2.618 1.00 0.00 N ATOM 772 CA GLN A 52 -7.854 -4.955 3.014 1.00 0.00 C ATOM 773 C GLN A 52 -8.519 -6.079 2.233 1.00 0.00 C ATOM 774 O GLN A 52 -9.741 -6.109 2.103 1.00 0.00 O ATOM 775 CB GLN A 52 -8.049 -5.151 4.514 1.00 0.00 C ATOM 776 CG GLN A 52 -9.536 -5.074 4.849 1.00 0.00 C ATOM 777 CD GLN A 52 -9.775 -5.348 6.328 1.00 0.00 C ATOM 778 OE1 GLN A 52 -10.648 -4.738 6.941 1.00 0.00 O ATOM 779 NE2 GLN A 52 -8.994 -6.268 6.899 1.00 0.00 N ATOM 0 H GLN A 52 -9.413 -3.709 2.404 1.00 0.00 H new ATOM 0 HA GLN A 52 -6.787 -4.970 2.794 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -7.646 -6.116 4.821 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -7.501 -4.387 5.066 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -9.920 -4.087 4.591 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -10.086 -5.797 4.247 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -8.283 -6.747 6.347 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -9.108 -6.492 7.888 1.00 0.00 H new ATOM 788 N GLN A 53 -7.711 -7.005 1.711 1.00 0.00 N ATOM 789 CA GLN A 53 -8.224 -8.123 0.946 1.00 0.00 C ATOM 790 C GLN A 53 -7.631 -9.423 1.469 1.00 0.00 C ATOM 791 O GLN A 53 -6.453 -9.474 1.818 1.00 0.00 O ATOM 792 CB GLN A 53 -7.883 -7.928 -0.528 1.00 0.00 C ATOM 793 CG GLN A 53 -8.103 -9.237 -1.280 1.00 0.00 C ATOM 794 CD GLN A 53 -8.370 -8.978 -2.756 1.00 0.00 C ATOM 795 OE1 GLN A 53 -7.950 -9.754 -3.611 1.00 0.00 O ATOM 796 NE2 GLN A 53 -9.071 -7.881 -3.053 1.00 0.00 N ATOM 0 H GLN A 53 -6.696 -6.994 1.810 1.00 0.00 H new ATOM 0 HA GLN A 53 -9.308 -8.174 1.052 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -8.506 -7.142 -0.955 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -6.847 -7.606 -0.633 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -7.226 -9.875 -1.172 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -8.944 -9.775 -0.843 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -9.398 -7.267 -2.307 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -9.279 -7.657 -4.026 1.00 0.00 H new ATOM 805 N VAL A 54 -8.450 -10.476 1.523 1.00 0.00 N ATOM 806 CA VAL A 54 -8.004 -11.769 2.002 1.00 0.00 C ATOM 807 C VAL A 54 -7.792 -12.709 0.824 1.00 0.00 C ATOM 808 O VAL A 54 -8.693 -12.900 0.009 1.00 0.00 O ATOM 809 CB VAL A 54 -9.039 -12.337 2.968 1.00 0.00 C ATOM 810 CG1 VAL A 54 -10.437 -12.133 2.393 1.00 0.00 C ATOM 811 CG2 VAL A 54 -8.783 -13.827 3.168 1.00 0.00 C ATOM 0 H VAL A 54 -9.429 -10.449 1.237 1.00 0.00 H new ATOM 0 HA VAL A 54 -7.056 -11.660 2.529 1.00 0.00 H new ATOM 0 HB VAL A 54 -8.963 -11.824 3.926 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -11.177 -12.539 3.083 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -10.620 -11.068 2.250 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -10.515 -12.646 1.435 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -9.522 -14.234 3.858 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -8.860 -14.341 2.210 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -7.784 -13.973 3.579 1.00 0.00 H new ATOM 821 N VAL A 55 -6.596 -13.297 0.734 1.00 0.00 N ATOM 822 CA VAL A 55 -6.273 -14.213 -0.341 1.00 0.00 C ATOM 823 C VAL A 55 -5.162 -15.154 0.101 1.00 0.00 C ATOM 824 O VAL A 55 -5.331 -15.913 1.053 1.00 0.00 O ATOM 825 CB VAL A 55 -5.851 -13.420 -1.574 1.00 0.00 C ATOM 826 CG1 VAL A 55 -6.963 -12.448 -1.960 1.00 0.00 C ATOM 827 CG2 VAL A 55 -4.578 -12.637 -1.265 1.00 0.00 C ATOM 0 H VAL A 55 -5.838 -13.148 1.400 1.00 0.00 H new ATOM 0 HA VAL A 55 -7.150 -14.810 -0.592 1.00 0.00 H new ATOM 0 HB VAL A 55 -5.665 -14.107 -2.400 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -6.661 -11.881 -2.841 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -7.873 -13.006 -2.181 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -7.150 -11.762 -1.134 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -4.276 -12.070 -2.146 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -4.764 -11.951 -0.439 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -3.783 -13.330 -0.989 1.00 0.00 H new ATOM 837 N ALA A 56 -4.024 -15.103 -0.592 1.00 0.00 N ATOM 838 CA ALA A 56 -2.892 -15.950 -0.269 1.00 0.00 C ATOM 839 C ALA A 56 -2.138 -15.372 0.920 1.00 0.00 C ATOM 840 O ALA A 56 -0.999 -15.748 1.180 1.00 0.00 O ATOM 841 CB ALA A 56 -1.978 -16.063 -1.486 1.00 0.00 C ATOM 0 H ALA A 56 -3.869 -14.478 -1.383 1.00 0.00 H new ATOM 0 HA ALA A 56 -3.243 -16.947 -0.001 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -1.127 -16.699 -1.244 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -2.532 -16.498 -2.318 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -1.622 -15.072 -1.767 1.00 0.00 H new ATOM 847 N GLY A 57 -2.780 -14.451 1.644 1.00 0.00 N ATOM 848 CA GLY A 57 -2.165 -13.828 2.800 1.00 0.00 C ATOM 849 C GLY A 57 -3.009 -12.656 3.278 1.00 0.00 C ATOM 850 O GLY A 57 -4.221 -12.784 3.443 1.00 0.00 O ATOM 0 H GLY A 57 -3.726 -14.126 1.443 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -2.058 -14.559 3.602 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -1.162 -13.484 2.546 1.00 0.00 H new ATOM 854 N THR A 58 -2.365 -11.508 3.503 1.00 0.00 N ATOM 855 CA THR A 58 -3.060 -10.322 3.961 1.00 0.00 C ATOM 856 C THR A 58 -2.719 -9.142 3.062 1.00 0.00 C ATOM 857 O THR A 58 -1.624 -8.584 3.153 1.00 0.00 O ATOM 858 CB THR A 58 -2.668 -10.031 5.407 1.00 0.00 C ATOM 859 OG1 THR A 58 -3.035 -11.122 6.222 1.00 0.00 O ATOM 860 CG2 THR A 58 -3.387 -8.773 5.885 1.00 0.00 C ATOM 0 H THR A 58 -1.361 -11.384 3.372 1.00 0.00 H new ATOM 0 HA THR A 58 -4.136 -10.487 3.915 1.00 0.00 H new ATOM 0 HB THR A 58 -1.590 -9.879 5.468 1.00 0.00 H new ATOM 0 HG1 THR A 58 -2.782 -10.936 7.150 1.00 0.00 H new ATOM 0 HG21 THR A 58 -3.108 -8.564 6.918 1.00 0.00 H new ATOM 0 HG22 THR A 58 -3.103 -7.930 5.255 1.00 0.00 H new ATOM 0 HG23 THR A 58 -4.465 -8.925 5.824 1.00 0.00 H new ATOM 868 N LEU A 59 -3.657 -8.763 2.195 1.00 0.00 N ATOM 869 CA LEU A 59 -3.459 -7.653 1.264 1.00 0.00 C ATOM 870 C LEU A 59 -4.124 -6.365 1.759 1.00 0.00 C ATOM 871 O LEU A 59 -5.161 -6.399 2.416 1.00 0.00 O ATOM 872 CB LEU A 59 -4.014 -8.030 -0.113 1.00 0.00 C ATOM 873 CG LEU A 59 -3.292 -7.370 -1.306 1.00 0.00 C ATOM 874 CD1 LEU A 59 -3.576 -5.872 -1.366 1.00 0.00 C ATOM 875 CD2 LEU A 59 -1.789 -7.618 -1.237 1.00 0.00 C ATOM 0 H LEU A 59 -4.569 -9.213 2.118 1.00 0.00 H new ATOM 0 HA LEU A 59 -2.388 -7.464 1.194 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -3.959 -9.113 -0.227 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -5.069 -7.759 -0.150 1.00 0.00 H new ATOM 0 HG LEU A 59 -3.679 -7.827 -2.216 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -3.053 -5.436 -2.217 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -4.648 -5.709 -1.477 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -3.230 -5.399 -0.447 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -1.302 -7.143 -2.089 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -1.393 -7.198 -0.312 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -1.596 -8.690 -1.261 1.00 0.00 H new ATOM 887 N TYR A 60 -3.506 -5.227 1.436 1.00 0.00 N ATOM 888 CA TYR A 60 -4.022 -3.936 1.844 1.00 0.00 C ATOM 889 C TYR A 60 -3.755 -2.905 0.758 1.00 0.00 C ATOM 890 O TYR A 60 -2.619 -2.743 0.316 1.00 0.00 O ATOM 891 CB TYR A 60 -3.364 -3.520 3.158 1.00 0.00 C ATOM 892 CG TYR A 60 -3.692 -4.438 4.312 1.00 0.00 C ATOM 893 CD1 TYR A 60 -5.024 -4.637 4.692 1.00 0.00 C ATOM 894 CD2 TYR A 60 -2.663 -5.088 5.003 1.00 0.00 C ATOM 895 CE1 TYR A 60 -5.328 -5.486 5.762 1.00 0.00 C ATOM 896 CE2 TYR A 60 -2.965 -5.937 6.073 1.00 0.00 C ATOM 897 CZ TYR A 60 -4.299 -6.136 6.454 1.00 0.00 C ATOM 898 OH TYR A 60 -4.593 -6.964 7.497 1.00 0.00 O ATOM 0 H TYR A 60 -2.645 -5.182 0.891 1.00 0.00 H new ATOM 0 HA TYR A 60 -5.099 -4.002 1.995 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -2.283 -3.493 3.021 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -3.679 -2.507 3.409 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -5.818 -4.135 4.159 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -1.635 -4.934 4.710 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -6.356 -5.640 6.054 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -2.171 -6.439 6.605 1.00 0.00 H new ATOM 0 HH TYR A 60 -5.473 -7.371 7.354 1.00 0.00 H new ATOM 908 N TYR A 61 -4.806 -2.206 0.326 1.00 0.00 N ATOM 909 CA TYR A 61 -4.679 -1.197 -0.706 1.00 0.00 C ATOM 910 C TYR A 61 -4.631 0.186 -0.074 1.00 0.00 C ATOM 911 O TYR A 61 -5.669 0.789 0.189 1.00 0.00 O ATOM 912 CB TYR A 61 -5.856 -1.309 -1.672 1.00 0.00 C ATOM 913 CG TYR A 61 -6.053 -2.701 -2.224 1.00 0.00 C ATOM 914 CD1 TYR A 61 -5.350 -3.109 -3.363 1.00 0.00 C ATOM 915 CD2 TYR A 61 -6.939 -3.584 -1.595 1.00 0.00 C ATOM 916 CE1 TYR A 61 -5.533 -4.399 -3.875 1.00 0.00 C ATOM 917 CE2 TYR A 61 -7.123 -4.874 -2.105 1.00 0.00 C ATOM 918 CZ TYR A 61 -6.419 -5.282 -3.246 1.00 0.00 C ATOM 919 OH TYR A 61 -6.599 -6.540 -3.743 1.00 0.00 O ATOM 0 H TYR A 61 -5.754 -2.327 0.681 1.00 0.00 H new ATOM 0 HA TYR A 61 -3.753 -1.353 -1.260 1.00 0.00 H new ATOM 0 HB2 TYR A 61 -6.767 -0.998 -1.160 1.00 0.00 H new ATOM 0 HB3 TYR A 61 -5.703 -0.617 -2.500 1.00 0.00 H new ATOM 0 HD1 TYR A 61 -4.666 -2.428 -3.847 1.00 0.00 H new ATOM 0 HD2 TYR A 61 -7.481 -3.269 -0.715 1.00 0.00 H new ATOM 0 HE1 TYR A 61 -4.991 -4.713 -4.755 1.00 0.00 H new ATOM 0 HE2 TYR A 61 -7.807 -5.555 -1.620 1.00 0.00 H new ATOM 0 HH TYR A 61 -6.348 -7.199 -3.063 1.00 0.00 H new ATOM 929 N PHE A 62 -3.419 0.690 0.170 1.00 0.00 N ATOM 930 CA PHE A 62 -3.243 1.997 0.770 1.00 0.00 C ATOM 931 C PHE A 62 -3.380 3.076 -0.295 1.00 0.00 C ATOM 932 O PHE A 62 -2.803 2.965 -1.374 1.00 0.00 O ATOM 933 CB PHE A 62 -1.873 2.068 1.439 1.00 0.00 C ATOM 934 CG PHE A 62 -1.717 1.109 2.596 1.00 0.00 C ATOM 935 CD1 PHE A 62 -1.293 -0.205 2.363 1.00 0.00 C ATOM 936 CD2 PHE A 62 -1.994 1.534 3.900 1.00 0.00 C ATOM 937 CE1 PHE A 62 -1.146 -1.093 3.436 1.00 0.00 C ATOM 938 CE2 PHE A 62 -1.847 0.646 4.972 1.00 0.00 C ATOM 939 CZ PHE A 62 -1.424 -0.667 4.740 1.00 0.00 C ATOM 0 H PHE A 62 -2.548 0.204 -0.043 1.00 0.00 H new ATOM 0 HA PHE A 62 -4.011 2.161 1.526 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -1.103 1.857 0.696 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -1.703 3.084 1.794 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -1.079 -0.533 1.357 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -2.321 2.547 4.079 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -0.818 -2.106 3.257 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -2.060 0.975 5.978 1.00 0.00 H new ATOM 0 HZ PHE A 62 -1.312 -1.352 5.567 1.00 0.00 H new ATOM 949 N THR A 63 -4.148 4.124 0.012 1.00 0.00 N ATOM 950 CA THR A 63 -4.353 5.215 -0.919 1.00 0.00 C ATOM 951 C THR A 63 -3.838 6.515 -0.317 1.00 0.00 C ATOM 952 O THR A 63 -4.611 7.304 0.223 1.00 0.00 O ATOM 953 CB THR A 63 -5.839 5.326 -1.251 1.00 0.00 C ATOM 954 OG1 THR A 63 -6.545 4.296 -0.595 1.00 0.00 O ATOM 955 CG2 THR A 63 -6.034 5.196 -2.759 1.00 0.00 C ATOM 0 H THR A 63 -4.635 4.232 0.902 1.00 0.00 H new ATOM 0 HA THR A 63 -3.800 5.021 -1.838 1.00 0.00 H new ATOM 0 HB THR A 63 -6.215 6.293 -0.918 1.00 0.00 H new ATOM 0 HG1 THR A 63 -7.499 4.368 -0.806 1.00 0.00 H new ATOM 0 HG21 THR A 63 -7.095 5.275 -2.997 1.00 0.00 H new ATOM 0 HG22 THR A 63 -5.488 5.991 -3.266 1.00 0.00 H new ATOM 0 HG23 THR A 63 -5.659 4.228 -3.092 1.00 0.00 H new ATOM 963 N ILE A 64 -2.524 6.736 -0.414 1.00 0.00 N ATOM 964 CA ILE A 64 -1.909 7.937 0.116 1.00 0.00 C ATOM 965 C ILE A 64 -1.669 8.932 -1.008 1.00 0.00 C ATOM 966 O ILE A 64 -1.920 8.629 -2.172 1.00 0.00 O ATOM 967 CB ILE A 64 -0.596 7.572 0.806 1.00 0.00 C ATOM 968 CG1 ILE A 64 0.465 7.269 -0.247 1.00 0.00 C ATOM 969 CG2 ILE A 64 -0.808 6.341 1.684 1.00 0.00 C ATOM 970 CD1 ILE A 64 1.827 7.139 0.428 1.00 0.00 C ATOM 0 H ILE A 64 -1.871 6.091 -0.858 1.00 0.00 H new ATOM 0 HA ILE A 64 -2.573 8.399 0.847 1.00 0.00 H new ATOM 0 HB ILE A 64 -0.266 8.407 1.424 1.00 0.00 H new ATOM 0 HG12 ILE A 64 0.218 6.347 -0.773 1.00 0.00 H new ATOM 0 HG13 ILE A 64 0.491 8.064 -0.992 1.00 0.00 H new ATOM 0 HG21 ILE A 64 0.129 6.080 2.177 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -1.566 6.557 2.437 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -1.138 5.506 1.066 1.00 0.00 H new ATOM 0 HD11 ILE A 64 2.586 6.922 -0.323 1.00 0.00 H new ATOM 0 HD12 ILE A 64 2.073 8.073 0.934 1.00 0.00 H new ATOM 0 HD13 ILE A 64 1.796 6.329 1.157 1.00 0.00 H new ATOM 982 N GLU A 65 -1.181 10.125 -0.659 1.00 0.00 N ATOM 983 CA GLU A 65 -0.910 11.155 -1.642 1.00 0.00 C ATOM 984 C GLU A 65 0.506 11.683 -1.465 1.00 0.00 C ATOM 985 O GLU A 65 0.878 12.118 -0.377 1.00 0.00 O ATOM 986 CB GLU A 65 -1.930 12.280 -1.491 1.00 0.00 C ATOM 987 CG GLU A 65 -1.295 13.603 -1.911 1.00 0.00 C ATOM 988 CD GLU A 65 -2.331 14.533 -2.524 1.00 0.00 C ATOM 989 OE1 GLU A 65 -3.125 14.033 -3.350 1.00 0.00 O ATOM 990 OE2 GLU A 65 -2.311 15.727 -2.155 1.00 0.00 O ATOM 0 H GLU A 65 -0.968 10.394 0.302 1.00 0.00 H new ATOM 0 HA GLU A 65 -0.994 10.736 -2.645 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -2.807 12.075 -2.104 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -2.271 12.340 -0.457 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -0.837 14.082 -1.045 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -0.498 13.416 -2.630 1.00 0.00 H new ATOM 997 N VAL A 66 1.296 11.645 -2.540 1.00 0.00 N ATOM 998 CA VAL A 66 2.665 12.118 -2.502 1.00 0.00 C ATOM 999 C VAL A 66 2.895 13.121 -3.624 1.00 0.00 C ATOM 1000 O VAL A 66 2.187 13.106 -4.627 1.00 0.00 O ATOM 1001 CB VAL A 66 3.617 10.932 -2.632 1.00 0.00 C ATOM 1002 CG1 VAL A 66 3.170 9.815 -1.692 1.00 0.00 C ATOM 1003 CG2 VAL A 66 3.599 10.423 -4.071 1.00 0.00 C ATOM 0 H VAL A 66 1.001 11.288 -3.449 1.00 0.00 H new ATOM 0 HA VAL A 66 2.856 12.616 -1.551 1.00 0.00 H new ATOM 0 HB VAL A 66 4.627 11.245 -2.369 1.00 0.00 H new ATOM 0 HG11 VAL A 66 3.850 8.968 -1.785 1.00 0.00 H new ATOM 0 HG12 VAL A 66 3.181 10.178 -0.664 1.00 0.00 H new ATOM 0 HG13 VAL A 66 2.160 9.500 -1.955 1.00 0.00 H new ATOM 0 HG21 VAL A 66 4.278 9.576 -4.166 1.00 0.00 H new ATOM 0 HG22 VAL A 66 2.589 10.109 -4.333 1.00 0.00 H new ATOM 0 HG23 VAL A 66 3.917 11.220 -4.743 1.00 0.00 H new ATOM 1013 N LYS A 67 3.890 13.994 -3.450 1.00 0.00 N ATOM 1014 CA LYS A 67 4.207 14.996 -4.448 1.00 0.00 C ATOM 1015 C LYS A 67 5.664 14.867 -4.869 1.00 0.00 C ATOM 1016 O LYS A 67 6.557 14.828 -4.024 1.00 0.00 O ATOM 1017 CB LYS A 67 3.931 16.384 -3.878 1.00 0.00 C ATOM 1018 CG LYS A 67 4.709 16.564 -2.576 1.00 0.00 C ATOM 1019 CD LYS A 67 3.732 16.654 -1.409 1.00 0.00 C ATOM 1020 CE LYS A 67 4.348 17.497 -0.295 1.00 0.00 C ATOM 1021 NZ LYS A 67 4.723 16.659 0.855 1.00 0.00 N ATOM 0 H LYS A 67 4.486 14.020 -2.623 1.00 0.00 H new ATOM 0 HA LYS A 67 3.582 14.846 -5.328 1.00 0.00 H new ATOM 0 HB2 LYS A 67 4.223 17.149 -4.597 1.00 0.00 H new ATOM 0 HB3 LYS A 67 2.863 16.509 -3.696 1.00 0.00 H new ATOM 0 HG2 LYS A 67 5.392 15.727 -2.429 1.00 0.00 H new ATOM 0 HG3 LYS A 67 5.318 17.467 -2.625 1.00 0.00 H new ATOM 0 HD2 LYS A 67 2.793 17.099 -1.740 1.00 0.00 H new ATOM 0 HD3 LYS A 67 3.499 15.656 -1.038 1.00 0.00 H new ATOM 0 HE2 LYS A 67 5.228 18.018 -0.672 1.00 0.00 H new ATOM 0 HE3 LYS A 67 3.638 18.260 0.023 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 5.551 17.072 1.330 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 3.928 16.611 1.524 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 4.956 15.701 0.525 1.00 0.00 H new ATOM 1035 N GLU A 68 5.903 14.798 -6.180 1.00 0.00 N ATOM 1036 CA GLU A 68 7.248 14.674 -6.704 1.00 0.00 C ATOM 1037 C GLU A 68 7.897 16.047 -6.804 1.00 0.00 C ATOM 1038 O GLU A 68 7.378 17.024 -6.266 1.00 0.00 O ATOM 1039 CB GLU A 68 7.199 13.999 -8.072 1.00 0.00 C ATOM 1040 CG GLU A 68 8.565 13.395 -8.390 1.00 0.00 C ATOM 1041 CD GLU A 68 8.958 13.673 -9.834 1.00 0.00 C ATOM 1042 OE1 GLU A 68 8.980 14.869 -10.197 1.00 0.00 O ATOM 1043 OE2 GLU A 68 9.228 12.684 -10.549 1.00 0.00 O ATOM 0 H GLU A 68 5.174 14.827 -6.893 1.00 0.00 H new ATOM 0 HA GLU A 68 7.847 14.062 -6.030 1.00 0.00 H new ATOM 0 HB2 GLU A 68 6.435 13.222 -8.079 1.00 0.00 H new ATOM 0 HB3 GLU A 68 6.923 14.724 -8.838 1.00 0.00 H new ATOM 0 HG2 GLU A 68 9.316 13.810 -7.718 1.00 0.00 H new ATOM 0 HG3 GLU A 68 8.541 12.319 -8.216 1.00 0.00 H new ATOM 1050 N GLY A 69 9.036 16.122 -7.496 1.00 0.00 N ATOM 1051 CA GLY A 69 9.746 17.373 -7.661 1.00 0.00 C ATOM 1052 C GLY A 69 8.762 18.509 -7.907 1.00 0.00 C ATOM 1053 O GLY A 69 8.766 19.507 -7.190 1.00 0.00 O ATOM 0 H GLY A 69 9.480 15.323 -7.949 1.00 0.00 H new ATOM 0 HA2 GLY A 69 10.339 17.583 -6.771 1.00 0.00 H new ATOM 0 HA3 GLY A 69 10.441 17.297 -8.497 1.00 0.00 H new ATOM 1057 N ASP A 70 7.916 18.354 -8.929 1.00 0.00 N ATOM 1058 CA ASP A 70 6.933 19.363 -9.267 1.00 0.00 C ATOM 1059 C ASP A 70 5.591 18.702 -9.545 1.00 0.00 C ATOM 1060 O ASP A 70 4.790 19.221 -10.319 1.00 0.00 O ATOM 1061 CB ASP A 70 7.410 20.150 -10.484 1.00 0.00 C ATOM 1062 CG ASP A 70 8.580 21.054 -10.123 1.00 0.00 C ATOM 1063 OD1 ASP A 70 9.725 20.559 -10.201 1.00 0.00 O ATOM 1064 OD2 ASP A 70 8.307 22.223 -9.774 1.00 0.00 O ATOM 0 H ASP A 70 7.900 17.533 -9.533 1.00 0.00 H new ATOM 0 HA ASP A 70 6.811 20.052 -8.431 1.00 0.00 H new ATOM 0 HB2 ASP A 70 7.708 19.460 -11.274 1.00 0.00 H new ATOM 0 HB3 ASP A 70 6.590 20.750 -10.878 1.00 0.00 H new ATOM 1069 N ALA A 71 5.347 17.552 -8.912 1.00 0.00 N ATOM 1070 CA ALA A 71 4.106 16.827 -9.094 1.00 0.00 C ATOM 1071 C ALA A 71 3.417 16.637 -7.751 1.00 0.00 C ATOM 1072 O ALA A 71 3.989 16.946 -6.708 1.00 0.00 O ATOM 1073 CB ALA A 71 4.397 15.479 -9.748 1.00 0.00 C ATOM 0 H ALA A 71 6.002 17.108 -8.268 1.00 0.00 H new ATOM 0 HA ALA A 71 3.440 17.396 -9.743 1.00 0.00 H new ATOM 0 HB1 ALA A 71 3.464 14.932 -9.886 1.00 0.00 H new ATOM 0 HB2 ALA A 71 4.870 15.639 -10.717 1.00 0.00 H new ATOM 0 HB3 ALA A 71 5.065 14.901 -9.109 1.00 0.00 H new ATOM 1079 N LYS A 72 2.183 16.128 -7.778 1.00 0.00 N ATOM 1080 CA LYS A 72 1.424 15.900 -6.565 1.00 0.00 C ATOM 1081 C LYS A 72 0.132 15.165 -6.891 1.00 0.00 C ATOM 1082 O LYS A 72 -0.727 15.694 -7.592 1.00 0.00 O ATOM 1083 CB LYS A 72 1.130 17.238 -5.892 1.00 0.00 C ATOM 1084 CG LYS A 72 0.370 18.138 -6.863 1.00 0.00 C ATOM 1085 CD LYS A 72 0.579 19.598 -6.472 1.00 0.00 C ATOM 1086 CE LYS A 72 -0.295 20.489 -7.351 1.00 0.00 C ATOM 1087 NZ LYS A 72 -1.473 20.969 -6.609 1.00 0.00 N ATOM 0 H LYS A 72 1.694 15.868 -8.635 1.00 0.00 H new ATOM 0 HA LYS A 72 2.005 15.282 -5.880 1.00 0.00 H new ATOM 0 HB2 LYS A 72 0.542 17.081 -4.988 1.00 0.00 H new ATOM 0 HB3 LYS A 72 2.061 17.717 -5.588 1.00 0.00 H new ATOM 0 HG2 LYS A 72 0.720 17.969 -7.882 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -0.692 17.894 -6.846 1.00 0.00 H new ATOM 0 HD2 LYS A 72 0.326 19.744 -5.422 1.00 0.00 H new ATOM 0 HD3 LYS A 72 1.628 19.870 -6.588 1.00 0.00 H new ATOM 0 HE2 LYS A 72 0.287 21.339 -7.706 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -0.617 19.934 -8.232 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -2.051 21.572 -7.228 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -2.039 20.156 -6.292 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -1.162 21.518 -5.782 1.00 0.00 H new ATOM 1101 N LYS A 73 -0.002 13.938 -6.380 1.00 0.00 N ATOM 1102 CA LYS A 73 -1.187 13.138 -6.619 1.00 0.00 C ATOM 1103 C LYS A 73 -1.296 12.047 -5.563 1.00 0.00 C ATOM 1104 O LYS A 73 -0.756 12.188 -4.464 1.00 0.00 O ATOM 1105 CB LYS A 73 -1.114 12.531 -8.017 1.00 0.00 C ATOM 1106 CG LYS A 73 0.270 11.930 -8.241 1.00 0.00 C ATOM 1107 CD LYS A 73 0.842 12.443 -9.559 1.00 0.00 C ATOM 1108 CE LYS A 73 0.488 11.469 -10.679 1.00 0.00 C ATOM 1109 NZ LYS A 73 1.702 10.908 -11.293 1.00 0.00 N ATOM 0 H LYS A 73 0.702 13.484 -5.798 1.00 0.00 H new ATOM 0 HA LYS A 73 -2.075 13.767 -6.555 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -1.878 11.762 -8.131 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -1.316 13.295 -8.768 1.00 0.00 H new ATOM 0 HG2 LYS A 73 0.932 12.197 -7.417 1.00 0.00 H new ATOM 0 HG3 LYS A 73 0.207 10.842 -8.259 1.00 0.00 H new ATOM 0 HD2 LYS A 73 0.441 13.432 -9.782 1.00 0.00 H new ATOM 0 HD3 LYS A 73 1.924 12.548 -9.482 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -0.129 10.663 -10.283 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -0.104 11.981 -11.437 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 1.435 10.249 -12.052 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 2.278 11.678 -11.690 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 2.253 10.400 -10.572 1.00 0.00 H new ATOM 1123 N LEU A 74 -1.994 10.963 -5.897 1.00 0.00 N ATOM 1124 CA LEU A 74 -2.190 9.844 -4.974 1.00 0.00 C ATOM 1125 C LEU A 74 -1.663 8.527 -5.551 1.00 0.00 C ATOM 1126 O LEU A 74 -1.854 8.227 -6.728 1.00 0.00 O ATOM 1127 CB LEU A 74 -3.677 9.708 -4.639 1.00 0.00 C ATOM 1128 CG LEU A 74 -4.101 8.316 -4.124 1.00 0.00 C ATOM 1129 CD1 LEU A 74 -4.933 8.427 -2.849 1.00 0.00 C ATOM 1130 CD2 LEU A 74 -4.875 7.553 -5.192 1.00 0.00 C ATOM 0 H LEU A 74 -2.437 10.835 -6.807 1.00 0.00 H new ATOM 0 HA LEU A 74 -1.623 10.056 -4.068 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -3.935 10.452 -3.886 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -4.259 9.942 -5.531 1.00 0.00 H new ATOM 0 HG LEU A 74 -3.191 7.762 -3.891 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -5.216 7.430 -2.511 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -4.346 8.920 -2.074 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -5.831 9.011 -3.050 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -5.162 6.576 -4.805 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -5.770 8.113 -5.463 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -4.247 7.424 -6.074 1.00 0.00 H new ATOM 1142 N TYR A 75 -0.990 7.745 -4.704 1.00 0.00 N ATOM 1143 CA TYR A 75 -0.430 6.474 -5.119 1.00 0.00 C ATOM 1144 C TYR A 75 -1.039 5.349 -4.294 1.00 0.00 C ATOM 1145 O TYR A 75 -1.045 5.409 -3.067 1.00 0.00 O ATOM 1146 CB TYR A 75 1.086 6.510 -4.953 1.00 0.00 C ATOM 1147 CG TYR A 75 1.756 7.596 -5.760 1.00 0.00 C ATOM 1148 CD1 TYR A 75 1.354 8.928 -5.609 1.00 0.00 C ATOM 1149 CD2 TYR A 75 2.779 7.270 -6.658 1.00 0.00 C ATOM 1150 CE1 TYR A 75 1.975 9.936 -6.358 1.00 0.00 C ATOM 1151 CE2 TYR A 75 3.400 8.278 -7.406 1.00 0.00 C ATOM 1152 CZ TYR A 75 2.998 9.610 -7.257 1.00 0.00 C ATOM 1153 OH TYR A 75 3.603 10.591 -7.986 1.00 0.00 O ATOM 0 H TYR A 75 -0.824 7.978 -3.725 1.00 0.00 H new ATOM 0 HA TYR A 75 -0.662 6.293 -6.169 1.00 0.00 H new ATOM 0 HB2 TYR A 75 1.325 6.652 -3.899 1.00 0.00 H new ATOM 0 HB3 TYR A 75 1.498 5.544 -5.246 1.00 0.00 H new ATOM 0 HD1 TYR A 75 0.565 9.179 -4.915 1.00 0.00 H new ATOM 0 HD2 TYR A 75 3.089 6.242 -6.774 1.00 0.00 H new ATOM 0 HE1 TYR A 75 1.665 10.964 -6.242 1.00 0.00 H new ATOM 0 HE2 TYR A 75 4.190 8.027 -8.098 1.00 0.00 H new ATOM 0 HH TYR A 75 3.194 11.456 -7.773 1.00 0.00 H new ATOM 1163 N GLU A 76 -1.549 4.319 -4.973 1.00 0.00 N ATOM 1164 CA GLU A 76 -2.154 3.188 -4.299 1.00 0.00 C ATOM 1165 C GLU A 76 -1.076 2.204 -3.865 1.00 0.00 C ATOM 1166 O GLU A 76 -0.659 1.351 -4.645 1.00 0.00 O ATOM 1167 CB GLU A 76 -3.154 2.515 -5.235 1.00 0.00 C ATOM 1168 CG GLU A 76 -3.745 3.556 -6.182 1.00 0.00 C ATOM 1169 CD GLU A 76 -5.250 3.375 -6.317 1.00 0.00 C ATOM 1170 OE1 GLU A 76 -5.919 3.376 -5.262 1.00 0.00 O ATOM 1171 OE2 GLU A 76 -5.703 3.239 -7.474 1.00 0.00 O ATOM 0 H GLU A 76 -1.551 4.253 -5.991 1.00 0.00 H new ATOM 0 HA GLU A 76 -2.681 3.532 -3.409 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -2.661 1.727 -5.805 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -3.948 2.042 -4.657 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -3.527 4.557 -5.810 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -3.275 3.471 -7.162 1.00 0.00 H new ATOM 1178 N ALA A 77 -0.625 2.327 -2.614 1.00 0.00 N ATOM 1179 CA ALA A 77 0.400 1.453 -2.082 1.00 0.00 C ATOM 1180 C ALA A 77 -0.222 0.132 -1.650 1.00 0.00 C ATOM 1181 O ALA A 77 -0.993 0.090 -0.694 1.00 0.00 O ATOM 1182 CB ALA A 77 1.090 2.136 -0.904 1.00 0.00 C ATOM 0 H ALA A 77 -0.961 3.030 -1.955 1.00 0.00 H new ATOM 0 HA ALA A 77 1.143 1.248 -2.852 1.00 0.00 H new ATOM 0 HB1 ALA A 77 1.862 1.479 -0.503 1.00 0.00 H new ATOM 0 HB2 ALA A 77 1.546 3.068 -1.240 1.00 0.00 H new ATOM 0 HB3 ALA A 77 0.356 2.350 -0.127 1.00 0.00 H new ATOM 1188 N LYS A 78 0.115 -0.948 -2.358 1.00 0.00 N ATOM 1189 CA LYS A 78 -0.412 -2.260 -2.045 1.00 0.00 C ATOM 1190 C LYS A 78 0.680 -3.123 -1.427 1.00 0.00 C ATOM 1191 O LYS A 78 1.681 -3.421 -2.075 1.00 0.00 O ATOM 1192 CB LYS A 78 -0.956 -2.907 -3.315 1.00 0.00 C ATOM 1193 CG LYS A 78 -1.438 -4.321 -3.002 1.00 0.00 C ATOM 1194 CD LYS A 78 -0.664 -5.322 -3.855 1.00 0.00 C ATOM 1195 CE LYS A 78 -1.570 -6.501 -4.201 1.00 0.00 C ATOM 1196 NZ LYS A 78 -1.484 -6.830 -5.633 1.00 0.00 N ATOM 0 H LYS A 78 0.754 -0.930 -3.153 1.00 0.00 H new ATOM 0 HA LYS A 78 -1.224 -2.165 -1.324 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -1.777 -2.312 -3.716 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -0.181 -2.937 -4.081 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -1.294 -4.540 -1.944 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -2.506 -4.405 -3.202 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -0.309 -4.842 -4.767 1.00 0.00 H new ATOM 0 HD3 LYS A 78 0.216 -5.672 -3.316 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -1.285 -7.369 -3.607 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -2.601 -6.261 -3.941 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -2.109 -7.634 -5.843 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -1.778 -6.007 -6.197 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -0.504 -7.081 -5.873 1.00 0.00 H new ATOM 1210 N VAL A 79 0.484 -3.525 -0.170 1.00 0.00 N ATOM 1211 CA VAL A 79 1.450 -4.350 0.530 1.00 0.00 C ATOM 1212 C VAL A 79 0.858 -5.727 0.788 1.00 0.00 C ATOM 1213 O VAL A 79 -0.358 -5.902 0.743 1.00 0.00 O ATOM 1214 CB VAL A 79 1.841 -3.673 1.840 1.00 0.00 C ATOM 1215 CG1 VAL A 79 2.697 -4.626 2.668 1.00 0.00 C ATOM 1216 CG2 VAL A 79 2.635 -2.404 1.540 1.00 0.00 C ATOM 0 H VAL A 79 -0.342 -3.287 0.380 1.00 0.00 H new ATOM 0 HA VAL A 79 2.345 -4.470 -0.081 1.00 0.00 H new ATOM 0 HB VAL A 79 0.942 -3.414 2.399 1.00 0.00 H new ATOM 0 HG11 VAL A 79 2.977 -4.143 3.604 1.00 0.00 H new ATOM 0 HG12 VAL A 79 2.130 -5.532 2.882 1.00 0.00 H new ATOM 0 HG13 VAL A 79 3.597 -4.885 2.110 1.00 0.00 H new ATOM 0 HG21 VAL A 79 2.915 -1.920 2.476 1.00 0.00 H new ATOM 0 HG22 VAL A 79 3.535 -2.661 0.982 1.00 0.00 H new ATOM 0 HG23 VAL A 79 2.023 -1.723 0.948 1.00 0.00 H new ATOM 1226 N TRP A 80 1.722 -6.708 1.061 1.00 0.00 N ATOM 1227 CA TRP A 80 1.277 -8.062 1.328 1.00 0.00 C ATOM 1228 C TRP A 80 2.051 -8.639 2.504 1.00 0.00 C ATOM 1229 O TRP A 80 3.166 -9.129 2.339 1.00 0.00 O ATOM 1230 CB TRP A 80 1.476 -8.915 0.079 1.00 0.00 C ATOM 1231 CG TRP A 80 0.755 -10.225 0.091 1.00 0.00 C ATOM 1232 CD1 TRP A 80 -0.375 -10.488 0.783 1.00 0.00 C ATOM 1233 CD2 TRP A 80 1.090 -11.463 -0.609 1.00 0.00 C ATOM 1234 NE1 TRP A 80 -0.759 -11.794 0.562 1.00 0.00 N ATOM 1235 CE2 TRP A 80 0.111 -12.442 -0.290 1.00 0.00 C ATOM 1236 CE3 TRP A 80 2.122 -11.858 -1.479 1.00 0.00 C ATOM 1237 CZ2 TRP A 80 0.152 -13.740 -0.805 1.00 0.00 C ATOM 1238 CZ3 TRP A 80 2.173 -13.158 -2.002 1.00 0.00 C ATOM 1239 CH2 TRP A 80 1.192 -14.100 -1.669 1.00 0.00 C ATOM 0 H TRP A 80 2.733 -6.581 1.101 1.00 0.00 H new ATOM 0 HA TRP A 80 0.218 -8.057 1.585 1.00 0.00 H new ATOM 0 HB2 TRP A 80 1.148 -8.344 -0.790 1.00 0.00 H new ATOM 0 HB3 TRP A 80 2.542 -9.104 -0.048 1.00 0.00 H new ATOM 0 HD1 TRP A 80 -0.898 -9.783 1.413 1.00 0.00 H new ATOM 0 HE1 TRP A 80 -1.584 -12.227 0.977 1.00 0.00 H new ATOM 0 HE3 TRP A 80 2.889 -11.147 -1.749 1.00 0.00 H new ATOM 0 HZ2 TRP A 80 -0.610 -14.457 -0.539 1.00 0.00 H new ATOM 0 HZ3 TRP A 80 2.977 -13.435 -2.668 1.00 0.00 H new ATOM 0 HH2 TRP A 80 1.238 -15.099 -2.077 1.00 0.00 H new ATOM 1250 N GLU A 81 1.453 -8.580 3.697 1.00 0.00 N ATOM 1251 CA GLU A 81 2.088 -9.097 4.893 1.00 0.00 C ATOM 1252 C GLU A 81 1.355 -10.341 5.373 1.00 0.00 C ATOM 1253 O GLU A 81 0.263 -10.645 4.898 1.00 0.00 O ATOM 1254 CB GLU A 81 2.089 -8.019 5.973 1.00 0.00 C ATOM 1255 CG GLU A 81 0.746 -7.297 5.973 1.00 0.00 C ATOM 1256 CD GLU A 81 -0.116 -7.753 7.143 1.00 0.00 C ATOM 1257 OE1 GLU A 81 -0.586 -8.910 7.084 1.00 0.00 O ATOM 1258 OE2 GLU A 81 -0.288 -6.936 8.073 1.00 0.00 O ATOM 0 H GLU A 81 0.529 -8.177 3.851 1.00 0.00 H new ATOM 0 HA GLU A 81 3.119 -9.372 4.671 1.00 0.00 H new ATOM 0 HB2 GLU A 81 2.273 -8.468 6.949 1.00 0.00 H new ATOM 0 HB3 GLU A 81 2.896 -7.309 5.792 1.00 0.00 H new ATOM 0 HG2 GLU A 81 0.907 -6.221 6.033 1.00 0.00 H new ATOM 0 HG3 GLU A 81 0.225 -7.490 5.035 1.00 0.00 H new ATOM 1265 N LYS A 82 1.958 -11.061 6.322 1.00 0.00 N ATOM 1266 CA LYS A 82 1.362 -12.265 6.862 1.00 0.00 C ATOM 1267 C LYS A 82 1.700 -12.394 8.340 1.00 0.00 C ATOM 1268 O LYS A 82 2.866 -12.545 8.702 1.00 0.00 O ATOM 1269 CB LYS A 82 1.867 -13.477 6.084 1.00 0.00 C ATOM 1270 CG LYS A 82 1.917 -13.140 4.597 1.00 0.00 C ATOM 1271 CD LYS A 82 2.725 -14.205 3.860 1.00 0.00 C ATOM 1272 CE LYS A 82 1.971 -14.641 2.608 1.00 0.00 C ATOM 1273 NZ LYS A 82 2.868 -15.317 1.659 1.00 0.00 N ATOM 0 H LYS A 82 2.863 -10.822 6.728 1.00 0.00 H new ATOM 0 HA LYS A 82 0.278 -12.212 6.762 1.00 0.00 H new ATOM 0 HB2 LYS A 82 2.858 -13.762 6.437 1.00 0.00 H new ATOM 0 HB3 LYS A 82 1.211 -14.331 6.253 1.00 0.00 H new ATOM 0 HG2 LYS A 82 0.907 -13.089 4.191 1.00 0.00 H new ATOM 0 HG3 LYS A 82 2.369 -12.159 4.451 1.00 0.00 H new ATOM 0 HD2 LYS A 82 3.704 -13.810 3.589 1.00 0.00 H new ATOM 0 HD3 LYS A 82 2.896 -15.062 4.511 1.00 0.00 H new ATOM 0 HE2 LYS A 82 1.157 -15.311 2.885 1.00 0.00 H new ATOM 0 HE3 LYS A 82 1.519 -13.772 2.130 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 2.330 -15.603 0.816 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 3.630 -14.667 1.379 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 3.279 -16.159 2.110 1.00 0.00 H new ATOM 1287 N PRO A 83 0.677 -12.332 9.195 1.00 0.00 N ATOM 1288 CA PRO A 83 0.808 -12.437 10.633 1.00 0.00 C ATOM 1289 C PRO A 83 1.131 -13.875 11.013 1.00 0.00 C ATOM 1290 O PRO A 83 2.009 -14.119 11.838 1.00 0.00 O ATOM 1291 CB PRO A 83 -0.555 -12.019 11.182 1.00 0.00 C ATOM 1292 CG PRO A 83 -1.513 -12.444 10.068 1.00 0.00 C ATOM 1293 CD PRO A 83 -0.704 -12.155 8.804 1.00 0.00 C ATOM 0 HA PRO A 83 1.609 -11.815 11.032 1.00 0.00 H new ATOM 0 HB2 PRO A 83 -0.782 -12.519 12.124 1.00 0.00 H new ATOM 0 HB3 PRO A 83 -0.604 -10.946 11.370 1.00 0.00 H new ATOM 0 HG2 PRO A 83 -1.782 -13.497 10.145 1.00 0.00 H new ATOM 0 HG3 PRO A 83 -2.442 -11.875 10.093 1.00 0.00 H new ATOM 0 HD2 PRO A 83 -0.976 -12.835 7.997 1.00 0.00 H new ATOM 0 HD3 PRO A 83 -0.885 -11.143 8.442 1.00 0.00 H new ATOM 1301 N TRP A 84 0.418 -14.828 10.409 1.00 0.00 N ATOM 1302 CA TRP A 84 0.635 -16.234 10.689 1.00 0.00 C ATOM 1303 C TRP A 84 2.125 -16.547 10.645 1.00 0.00 C ATOM 1304 O TRP A 84 2.554 -17.605 11.098 1.00 0.00 O ATOM 1305 CB TRP A 84 -0.125 -17.078 9.671 1.00 0.00 C ATOM 1306 CG TRP A 84 0.480 -17.111 8.304 1.00 0.00 C ATOM 1307 CD1 TRP A 84 1.510 -17.898 7.925 1.00 0.00 C ATOM 1308 CD2 TRP A 84 0.113 -16.338 7.120 1.00 0.00 C ATOM 1309 NE1 TRP A 84 1.805 -17.666 6.598 1.00 0.00 N ATOM 1310 CE2 TRP A 84 0.972 -16.711 6.052 1.00 0.00 C ATOM 1311 CE3 TRP A 84 -0.858 -15.359 6.840 1.00 0.00 C ATOM 1312 CZ2 TRP A 84 0.875 -16.146 4.777 1.00 0.00 C ATOM 1313 CZ3 TRP A 84 -0.964 -14.786 5.565 1.00 0.00 C ATOM 1314 CH2 TRP A 84 -0.101 -15.175 4.534 1.00 0.00 C ATOM 0 H TRP A 84 -0.314 -14.643 9.723 1.00 0.00 H new ATOM 0 HA TRP A 84 0.265 -16.470 11.686 1.00 0.00 H new ATOM 0 HB2 TRP A 84 -0.194 -18.099 10.047 1.00 0.00 H new ATOM 0 HB3 TRP A 84 -1.143 -16.697 9.593 1.00 0.00 H new ATOM 0 HD1 TRP A 84 2.024 -18.601 8.563 1.00 0.00 H new ATOM 0 HE1 TRP A 84 2.547 -18.141 6.084 1.00 0.00 H new ATOM 0 HE3 TRP A 84 -1.534 -15.043 7.621 1.00 0.00 H new ATOM 0 HZ2 TRP A 84 1.546 -16.456 3.989 1.00 0.00 H new ATOM 0 HZ3 TRP A 84 -1.719 -14.037 5.376 1.00 0.00 H new ATOM 0 HH2 TRP A 84 -0.189 -14.727 3.555 1.00 0.00 H new ATOM 1325 N MET A 85 2.912 -15.620 10.096 1.00 0.00 N ATOM 1326 CA MET A 85 4.346 -15.803 9.993 1.00 0.00 C ATOM 1327 C MET A 85 5.047 -14.454 10.076 1.00 0.00 C ATOM 1328 O MET A 85 6.242 -14.353 9.805 1.00 0.00 O ATOM 1329 CB MET A 85 4.677 -16.503 8.679 1.00 0.00 C ATOM 1330 CG MET A 85 4.332 -15.582 7.511 1.00 0.00 C ATOM 1331 SD MET A 85 4.527 -16.354 5.886 1.00 0.00 S ATOM 1332 CE MET A 85 6.300 -16.713 5.947 1.00 0.00 C ATOM 0 H MET A 85 2.572 -14.736 9.718 1.00 0.00 H new ATOM 0 HA MET A 85 4.696 -16.423 10.818 1.00 0.00 H new ATOM 0 HB2 MET A 85 5.735 -16.764 8.650 1.00 0.00 H new ATOM 0 HB3 MET A 85 4.117 -17.434 8.599 1.00 0.00 H new ATOM 0 HG2 MET A 85 3.302 -15.243 7.620 1.00 0.00 H new ATOM 0 HG3 MET A 85 4.966 -14.696 7.560 1.00 0.00 H new ATOM 0 HE1 MET A 85 6.663 -16.927 4.942 1.00 0.00 H new ATOM 0 HE2 MET A 85 6.832 -15.851 6.349 1.00 0.00 H new ATOM 0 HE3 MET A 85 6.474 -17.578 6.587 1.00 0.00 H new ATOM 1342 N ASP A 86 4.299 -13.414 10.452 1.00 0.00 N ATOM 1343 CA ASP A 86 4.848 -12.079 10.568 1.00 0.00 C ATOM 1344 C ASP A 86 5.780 -11.802 9.396 1.00 0.00 C ATOM 1345 O ASP A 86 6.993 -11.964 9.513 1.00 0.00 O ATOM 1346 CB ASP A 86 5.593 -11.949 11.893 1.00 0.00 C ATOM 1347 CG ASP A 86 4.801 -11.108 12.883 1.00 0.00 C ATOM 1348 OD1 ASP A 86 4.792 -9.871 12.697 1.00 0.00 O ATOM 1349 OD2 ASP A 86 4.217 -11.715 13.807 1.00 0.00 O ATOM 0 H ASP A 86 3.307 -13.481 10.680 1.00 0.00 H new ATOM 0 HA ASP A 86 4.041 -11.346 10.547 1.00 0.00 H new ATOM 0 HB2 ASP A 86 5.772 -12.939 12.313 1.00 0.00 H new ATOM 0 HB3 ASP A 86 6.569 -11.494 11.723 1.00 0.00 H new ATOM 1354 N PHE A 87 5.210 -11.383 8.264 1.00 0.00 N ATOM 1355 CA PHE A 87 5.992 -11.087 7.080 1.00 0.00 C ATOM 1356 C PHE A 87 5.412 -9.874 6.368 1.00 0.00 C ATOM 1357 O PHE A 87 4.436 -9.286 6.830 1.00 0.00 O ATOM 1358 CB PHE A 87 5.999 -12.304 6.160 1.00 0.00 C ATOM 1359 CG PHE A 87 6.498 -12.004 4.767 1.00 0.00 C ATOM 1360 CD1 PHE A 87 7.873 -11.977 4.506 1.00 0.00 C ATOM 1361 CD2 PHE A 87 5.585 -11.753 3.735 1.00 0.00 C ATOM 1362 CE1 PHE A 87 8.334 -11.700 3.213 1.00 0.00 C ATOM 1363 CE2 PHE A 87 6.046 -11.476 2.443 1.00 0.00 C ATOM 1364 CZ PHE A 87 7.421 -11.450 2.182 1.00 0.00 C ATOM 0 H PHE A 87 4.206 -11.243 8.151 1.00 0.00 H new ATOM 0 HA PHE A 87 7.019 -10.858 7.365 1.00 0.00 H new ATOM 0 HB2 PHE A 87 6.624 -13.080 6.602 1.00 0.00 H new ATOM 0 HB3 PHE A 87 4.988 -12.707 6.096 1.00 0.00 H new ATOM 0 HD1 PHE A 87 8.578 -12.170 5.301 1.00 0.00 H new ATOM 0 HD2 PHE A 87 4.524 -11.773 3.936 1.00 0.00 H new ATOM 0 HE1 PHE A 87 9.395 -11.679 3.011 1.00 0.00 H new ATOM 0 HE2 PHE A 87 5.341 -11.282 1.648 1.00 0.00 H new ATOM 0 HZ PHE A 87 7.777 -11.237 1.185 1.00 0.00 H new ATOM 1374 N LYS A 88 6.015 -9.499 5.238 1.00 0.00 N ATOM 1375 CA LYS A 88 5.557 -8.360 4.469 1.00 0.00 C ATOM 1376 C LYS A 88 6.416 -8.195 3.224 1.00 0.00 C ATOM 1377 O LYS A 88 7.594 -8.549 3.226 1.00 0.00 O ATOM 1378 CB LYS A 88 5.615 -7.106 5.336 1.00 0.00 C ATOM 1379 CG LYS A 88 7.060 -6.836 5.744 1.00 0.00 C ATOM 1380 CD LYS A 88 7.286 -5.331 5.853 1.00 0.00 C ATOM 1381 CE LYS A 88 8.335 -5.052 6.927 1.00 0.00 C ATOM 1382 NZ LYS A 88 9.193 -3.919 6.543 1.00 0.00 N ATOM 0 H LYS A 88 6.825 -9.976 4.841 1.00 0.00 H new ATOM 0 HA LYS A 88 4.526 -8.522 4.154 1.00 0.00 H new ATOM 0 HB2 LYS A 88 5.215 -6.253 4.788 1.00 0.00 H new ATOM 0 HB3 LYS A 88 4.994 -7.235 6.222 1.00 0.00 H new ATOM 0 HG2 LYS A 88 7.275 -7.317 6.698 1.00 0.00 H new ATOM 0 HG3 LYS A 88 7.742 -7.265 5.010 1.00 0.00 H new ATOM 0 HD2 LYS A 88 7.616 -4.931 4.894 1.00 0.00 H new ATOM 0 HD3 LYS A 88 6.351 -4.829 6.103 1.00 0.00 H new ATOM 0 HE2 LYS A 88 7.842 -4.835 7.875 1.00 0.00 H new ATOM 0 HE3 LYS A 88 8.947 -5.940 7.082 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 9.898 -3.749 7.289 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 9.679 -4.139 5.650 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 8.609 -3.068 6.418 1.00 0.00 H new ATOM 1396 N GLU A 89 5.824 -7.654 2.157 1.00 0.00 N ATOM 1397 CA GLU A 89 6.538 -7.444 0.913 1.00 0.00 C ATOM 1398 C GLU A 89 5.775 -6.463 0.035 1.00 0.00 C ATOM 1399 O GLU A 89 4.643 -6.737 -0.366 1.00 0.00 O ATOM 1400 CB GLU A 89 6.720 -8.781 0.201 1.00 0.00 C ATOM 1401 CG GLU A 89 7.727 -8.622 -0.933 1.00 0.00 C ATOM 1402 CD GLU A 89 9.078 -9.209 -0.548 1.00 0.00 C ATOM 1403 OE1 GLU A 89 9.842 -8.482 0.124 1.00 0.00 O ATOM 1404 OE2 GLU A 89 9.320 -10.374 -0.931 1.00 0.00 O ATOM 0 H GLU A 89 4.849 -7.355 2.138 1.00 0.00 H new ATOM 0 HA GLU A 89 7.521 -7.021 1.121 1.00 0.00 H new ATOM 0 HB2 GLU A 89 7.067 -9.536 0.906 1.00 0.00 H new ATOM 0 HB3 GLU A 89 5.765 -9.128 -0.193 1.00 0.00 H new ATOM 0 HG2 GLU A 89 7.353 -9.118 -1.829 1.00 0.00 H new ATOM 0 HG3 GLU A 89 7.841 -7.566 -1.177 1.00 0.00 H new ATOM 1411 N LEU A 90 6.396 -5.323 -0.264 1.00 0.00 N ATOM 1412 CA LEU A 90 5.775 -4.287 -1.090 1.00 0.00 C ATOM 1413 C LEU A 90 5.520 -4.771 -2.519 1.00 0.00 C ATOM 1414 O LEU A 90 6.415 -5.290 -3.183 1.00 0.00 O ATOM 1415 CB LEU A 90 6.666 -3.043 -1.111 1.00 0.00 C ATOM 1416 CG LEU A 90 5.983 -1.766 -1.644 1.00 0.00 C ATOM 1417 CD1 LEU A 90 5.226 -2.042 -2.940 1.00 0.00 C ATOM 1418 CD2 LEU A 90 5.042 -1.175 -0.601 1.00 0.00 C ATOM 0 H LEU A 90 7.336 -5.092 0.056 1.00 0.00 H new ATOM 0 HA LEU A 90 4.808 -4.044 -0.649 1.00 0.00 H new ATOM 0 HB2 LEU A 90 7.023 -2.852 -0.099 1.00 0.00 H new ATOM 0 HB3 LEU A 90 7.543 -3.252 -1.724 1.00 0.00 H new ATOM 0 HG LEU A 90 6.768 -1.040 -1.855 1.00 0.00 H new ATOM 0 HD11 LEU A 90 4.756 -1.123 -3.290 1.00 0.00 H new ATOM 0 HD12 LEU A 90 5.921 -2.405 -3.697 1.00 0.00 H new ATOM 0 HD13 LEU A 90 4.459 -2.796 -2.760 1.00 0.00 H new ATOM 0 HD21 LEU A 90 4.573 -0.276 -1.001 1.00 0.00 H new ATOM 0 HD22 LEU A 90 4.272 -1.905 -0.351 1.00 0.00 H new ATOM 0 HD23 LEU A 90 5.607 -0.921 0.296 1.00 0.00 H new ATOM 1430 N GLN A 91 4.281 -4.597 -2.984 1.00 0.00 N ATOM 1431 CA GLN A 91 3.899 -5.015 -4.318 1.00 0.00 C ATOM 1432 C GLN A 91 4.022 -3.842 -5.280 1.00 0.00 C ATOM 1433 O GLN A 91 4.523 -3.997 -6.391 1.00 0.00 O ATOM 1434 CB GLN A 91 2.469 -5.547 -4.293 1.00 0.00 C ATOM 1435 CG GLN A 91 2.445 -6.911 -3.611 1.00 0.00 C ATOM 1436 CD GLN A 91 2.556 -8.032 -4.634 1.00 0.00 C ATOM 1437 OE1 GLN A 91 2.986 -7.805 -5.763 1.00 0.00 O ATOM 1438 NE2 GLN A 91 2.166 -9.246 -4.237 1.00 0.00 N ATOM 0 H GLN A 91 3.528 -4.167 -2.447 1.00 0.00 H new ATOM 0 HA GLN A 91 4.562 -5.810 -4.659 1.00 0.00 H new ATOM 0 HB2 GLN A 91 1.820 -4.851 -3.761 1.00 0.00 H new ATOM 0 HB3 GLN A 91 2.083 -5.630 -5.309 1.00 0.00 H new ATOM 0 HG2 GLN A 91 3.267 -6.980 -2.899 1.00 0.00 H new ATOM 0 HG3 GLN A 91 1.521 -7.022 -3.043 1.00 0.00 H new ATOM 0 HE21 GLN A 91 1.816 -9.385 -3.289 1.00 0.00 H new ATOM 0 HE22 GLN A 91 2.218 -10.035 -4.882 1.00 0.00 H new ATOM 1447 N GLU A 92 3.561 -2.665 -4.851 1.00 0.00 N ATOM 1448 CA GLU A 92 3.623 -1.475 -5.676 1.00 0.00 C ATOM 1449 C GLU A 92 2.734 -0.387 -5.087 1.00 0.00 C ATOM 1450 O GLU A 92 1.673 -0.677 -4.539 1.00 0.00 O ATOM 1451 CB GLU A 92 3.187 -1.819 -7.097 1.00 0.00 C ATOM 1452 CG GLU A 92 4.406 -1.830 -8.015 1.00 0.00 C ATOM 1453 CD GLU A 92 4.190 -2.769 -9.193 1.00 0.00 C ATOM 1454 OE1 GLU A 92 3.600 -2.301 -10.190 1.00 0.00 O ATOM 1455 OE2 GLU A 92 4.619 -3.936 -9.074 1.00 0.00 O ATOM 0 H GLU A 92 3.141 -2.519 -3.933 1.00 0.00 H new ATOM 0 HA GLU A 92 4.647 -1.102 -5.703 1.00 0.00 H new ATOM 0 HB2 GLU A 92 2.698 -2.793 -7.113 1.00 0.00 H new ATOM 0 HB3 GLU A 92 2.458 -1.090 -7.452 1.00 0.00 H new ATOM 0 HG2 GLU A 92 4.601 -0.821 -8.380 1.00 0.00 H new ATOM 0 HG3 GLU A 92 5.287 -2.141 -7.453 1.00 0.00 H new ATOM 1462 N PHE A 93 3.172 0.868 -5.204 1.00 0.00 N ATOM 1463 CA PHE A 93 2.416 1.990 -4.685 1.00 0.00 C ATOM 1464 C PHE A 93 2.413 3.125 -5.700 1.00 0.00 C ATOM 1465 O PHE A 93 3.357 3.909 -5.760 1.00 0.00 O ATOM 1466 CB PHE A 93 3.028 2.446 -3.363 1.00 0.00 C ATOM 1467 CG PHE A 93 4.093 3.505 -3.526 1.00 0.00 C ATOM 1468 CD1 PHE A 93 5.326 3.173 -4.099 1.00 0.00 C ATOM 1469 CD2 PHE A 93 3.847 4.816 -3.102 1.00 0.00 C ATOM 1470 CE1 PHE A 93 6.316 4.154 -4.247 1.00 0.00 C ATOM 1471 CE2 PHE A 93 4.836 5.796 -3.251 1.00 0.00 C ATOM 1472 CZ PHE A 93 6.070 5.465 -3.824 1.00 0.00 C ATOM 0 H PHE A 93 4.050 1.125 -5.656 1.00 0.00 H new ATOM 0 HA PHE A 93 1.384 1.688 -4.507 1.00 0.00 H new ATOM 0 HB2 PHE A 93 2.237 2.833 -2.720 1.00 0.00 H new ATOM 0 HB3 PHE A 93 3.459 1.584 -2.855 1.00 0.00 H new ATOM 0 HD1 PHE A 93 5.514 2.161 -4.427 1.00 0.00 H new ATOM 0 HD2 PHE A 93 2.895 5.072 -2.660 1.00 0.00 H new ATOM 0 HE1 PHE A 93 7.268 3.898 -4.687 1.00 0.00 H new ATOM 0 HE2 PHE A 93 4.647 6.808 -2.924 1.00 0.00 H new ATOM 0 HZ PHE A 93 6.832 6.222 -3.939 1.00 0.00 H new ATOM 1482 N LYS A 94 1.347 3.210 -6.498 1.00 0.00 N ATOM 1483 CA LYS A 94 1.229 4.247 -7.504 1.00 0.00 C ATOM 1484 C LYS A 94 -0.230 4.412 -7.907 1.00 0.00 C ATOM 1485 O LYS A 94 -1.077 3.605 -7.531 1.00 0.00 O ATOM 1486 CB LYS A 94 2.085 3.882 -8.713 1.00 0.00 C ATOM 1487 CG LYS A 94 3.336 4.755 -8.731 1.00 0.00 C ATOM 1488 CD LYS A 94 4.331 4.199 -9.746 1.00 0.00 C ATOM 1489 CE LYS A 94 5.335 3.298 -9.033 1.00 0.00 C ATOM 1490 NZ LYS A 94 4.653 2.203 -8.325 1.00 0.00 N ATOM 0 H LYS A 94 0.555 2.568 -6.461 1.00 0.00 H new ATOM 0 HA LYS A 94 1.583 5.195 -7.097 1.00 0.00 H new ATOM 0 HB2 LYS A 94 2.364 2.829 -8.670 1.00 0.00 H new ATOM 0 HB3 LYS A 94 1.516 4.024 -9.632 1.00 0.00 H new ATOM 0 HG2 LYS A 94 3.073 5.781 -8.989 1.00 0.00 H new ATOM 0 HG3 LYS A 94 3.788 4.781 -7.740 1.00 0.00 H new ATOM 0 HD2 LYS A 94 3.804 3.636 -10.517 1.00 0.00 H new ATOM 0 HD3 LYS A 94 4.851 5.016 -10.247 1.00 0.00 H new ATOM 0 HE2 LYS A 94 6.037 2.885 -9.758 1.00 0.00 H new ATOM 0 HE3 LYS A 94 5.918 3.887 -8.324 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 5.358 1.522 -7.978 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 4.119 2.589 -7.520 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 3.999 1.723 -8.976 1.00 0.00 H new ATOM 1504 N PRO A 95 -0.521 5.463 -8.678 1.00 0.00 N ATOM 1505 CA PRO A 95 -1.849 5.779 -9.158 1.00 0.00 C ATOM 1506 C PRO A 95 -2.249 4.786 -10.240 1.00 0.00 C ATOM 1507 O PRO A 95 -3.356 4.856 -10.771 1.00 0.00 O ATOM 1508 CB PRO A 95 -1.733 7.192 -9.727 1.00 0.00 C ATOM 1509 CG PRO A 95 -0.281 7.247 -10.202 1.00 0.00 C ATOM 1510 CD PRO A 95 0.450 6.431 -9.138 1.00 0.00 C ATOM 0 HA PRO A 95 -2.608 5.723 -8.378 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -2.433 7.357 -10.546 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -1.941 7.950 -8.972 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -0.163 6.815 -11.196 1.00 0.00 H new ATOM 0 HG3 PRO A 95 0.090 8.271 -10.253 1.00 0.00 H new ATOM 0 HD2 PRO A 95 1.331 5.941 -9.552 1.00 0.00 H new ATOM 0 HD3 PRO A 95 0.793 7.065 -8.321 1.00 0.00 H new ATOM 1518 N VAL A 96 -1.345 3.861 -10.568 1.00 0.00 N ATOM 1519 CA VAL A 96 -1.605 2.862 -11.584 1.00 0.00 C ATOM 1520 C VAL A 96 -2.051 3.541 -12.871 1.00 0.00 C ATOM 1521 O VAL A 96 -3.230 3.505 -13.219 1.00 0.00 O ATOM 1522 CB VAL A 96 -2.676 1.896 -11.083 1.00 0.00 C ATOM 1523 CG1 VAL A 96 -2.983 0.869 -12.169 1.00 0.00 C ATOM 1524 CG2 VAL A 96 -2.170 1.180 -9.835 1.00 0.00 C ATOM 0 H VAL A 96 -0.423 3.790 -10.137 1.00 0.00 H new ATOM 0 HA VAL A 96 -0.694 2.300 -11.790 1.00 0.00 H new ATOM 0 HB VAL A 96 -3.582 2.451 -10.842 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -3.748 0.179 -11.812 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -3.344 1.380 -13.062 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -2.077 0.313 -12.411 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -2.934 0.490 -9.476 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -1.264 0.624 -10.076 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -1.950 1.913 -9.059 1.00 0.00 H new