USER MOD reduce.3.24.130724 H: found=0, std=0, add=667, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 668 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 59 LYS NZ :NH3+ -119:sc= 0.163 (180deg=0) USER MOD Set 1.2: A 62 THR OG1 : rot 180:sc= 0.179 USER MOD Set 2.1: A 43 TYR OH : rot 30:sc= 0 USER MOD Set 2.2: A 64 MET CE :methyl -151:sc= -0.0267 (180deg=-1.44!) USER MOD Set 3.1: A 33 TYR OH : rot 180:sc= 0.328 USER MOD Set 3.2: A 42 GLN : amide:sc= 0.379 X(o=0.71,f=0.64) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 ASN : amide:sc= 0.492 K(o=0.49,f=-4.6!) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 SER OG : rot -71:sc= 0.591 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ 157:sc= 1.31 (180deg=0.985) USER MOD Single : A 61 ASN :FLIP amide:sc= 0 F(o=-0.56,f=0) USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 77 ASN : amide:sc= 0.501 K(o=0.5,f=0) USER MOD Single : A 78 MET CE :methyl 137:sc= -0.0178 (180deg=-0.103) USER MOD Single : A 80 GLN : amide:sc= -0.0154 K(o=-0.015,f=-0.87) USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD Single : A 84 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 86 HIS : no HD1:sc= -0.109 X(o=-0.11,f=-0.027) USER MOD Single : A 91 LYS NZ :NH3+ 155:sc= 0.934 (180deg=0.546) USER MOD Single : A 93 LYS NZ :NH3+ 160:sc= 1.1 (180deg=0.804) USER MOD ----------------------------------------------------------------- ATOM 174 N LEU A 14 -9.831 8.164 -23.301 1.00 0.00 N ATOM 175 CA LEU A 14 -10.869 8.648 -24.215 1.00 0.00 C ATOM 176 C LEU A 14 -12.078 9.224 -23.453 1.00 0.00 C ATOM 177 O LEU A 14 -13.016 9.730 -24.076 1.00 0.00 O ATOM 178 CB LEU A 14 -11.277 7.487 -25.144 1.00 0.00 C ATOM 179 CG LEU A 14 -10.081 6.809 -25.863 1.00 0.00 C ATOM 180 CD1 LEU A 14 -9.949 5.342 -25.425 1.00 0.00 C ATOM 181 CD2 LEU A 14 -10.237 6.890 -27.387 1.00 0.00 C ATOM 0 HA LEU A 14 -10.474 9.470 -24.812 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -11.810 6.737 -24.560 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -11.974 7.862 -25.893 1.00 0.00 H new ATOM 0 HG LEU A 14 -9.175 7.345 -25.581 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -9.105 4.883 -25.940 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -9.785 5.297 -24.348 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -10.863 4.804 -25.676 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -9.385 6.407 -27.866 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -11.156 6.385 -27.686 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -10.281 7.935 -27.693 1.00 0.00 H new ATOM 193 N LEU A 15 -12.065 9.139 -22.115 1.00 0.00 N ATOM 194 CA LEU A 15 -13.148 9.581 -21.230 1.00 0.00 C ATOM 195 C LEU A 15 -12.963 11.032 -20.753 1.00 0.00 C ATOM 196 O LEU A 15 -12.047 11.750 -21.161 1.00 0.00 O ATOM 197 CB LEU A 15 -13.283 8.618 -20.028 1.00 0.00 C ATOM 198 CG LEU A 15 -13.325 7.109 -20.351 1.00 0.00 C ATOM 199 CD1 LEU A 15 -13.555 6.326 -19.050 1.00 0.00 C ATOM 200 CD2 LEU A 15 -14.417 6.754 -21.371 1.00 0.00 C ATOM 0 H LEU A 15 -11.274 8.748 -21.604 1.00 0.00 H new ATOM 0 HA LEU A 15 -14.071 9.558 -21.809 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -12.447 8.798 -19.352 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -14.193 8.876 -19.486 1.00 0.00 H new ATOM 0 HG LEU A 15 -12.370 6.838 -20.801 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -13.586 5.259 -19.268 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -12.742 6.530 -18.354 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -14.501 6.633 -18.603 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -14.402 5.681 -21.562 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -15.392 7.038 -20.974 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -14.234 7.290 -22.302 1.00 0.00 H new ATOM 212 N SER A 16 -13.844 11.449 -19.851 1.00 0.00 N ATOM 213 CA SER A 16 -13.914 12.772 -19.245 1.00 0.00 C ATOM 214 C SER A 16 -13.372 12.774 -17.803 1.00 0.00 C ATOM 215 O SER A 16 -13.386 11.734 -17.133 1.00 0.00 O ATOM 216 CB SER A 16 -15.389 13.180 -19.251 1.00 0.00 C ATOM 217 OG SER A 16 -15.783 13.683 -20.522 1.00 0.00 O ATOM 0 H SER A 16 -14.576 10.831 -19.501 1.00 0.00 H new ATOM 0 HA SER A 16 -13.298 13.472 -19.809 1.00 0.00 H new ATOM 0 HB2 SER A 16 -16.007 12.321 -18.991 1.00 0.00 H new ATOM 0 HB3 SER A 16 -15.561 13.939 -18.488 1.00 0.00 H new ATOM 0 HG SER A 16 -16.730 13.934 -20.495 1.00 0.00 H new ATOM 223 N PRO A 17 -12.970 13.946 -17.274 1.00 0.00 N ATOM 224 CA PRO A 17 -12.449 14.094 -15.914 1.00 0.00 C ATOM 225 C PRO A 17 -13.461 13.685 -14.836 1.00 0.00 C ATOM 226 O PRO A 17 -13.058 13.259 -13.756 1.00 0.00 O ATOM 227 CB PRO A 17 -12.044 15.569 -15.793 1.00 0.00 C ATOM 228 CG PRO A 17 -12.948 16.273 -16.805 1.00 0.00 C ATOM 229 CD PRO A 17 -13.069 15.244 -17.923 1.00 0.00 C ATOM 0 HA PRO A 17 -11.604 13.426 -15.748 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -12.202 15.947 -14.783 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -10.990 15.716 -16.027 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -13.919 16.521 -16.376 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -12.509 17.206 -17.159 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -14.018 15.347 -18.450 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -12.278 15.374 -18.662 1.00 0.00 H new ATOM 237 N GLU A 18 -14.762 13.751 -15.138 1.00 0.00 N ATOM 238 CA GLU A 18 -15.845 13.330 -14.241 1.00 0.00 C ATOM 239 C GLU A 18 -16.175 11.824 -14.318 1.00 0.00 C ATOM 240 O GLU A 18 -16.896 11.321 -13.458 1.00 0.00 O ATOM 241 CB GLU A 18 -17.092 14.205 -14.472 1.00 0.00 C ATOM 242 CG GLU A 18 -17.690 14.090 -15.882 1.00 0.00 C ATOM 243 CD GLU A 18 -18.933 14.985 -16.021 1.00 0.00 C ATOM 244 OE1 GLU A 18 -20.059 14.518 -15.729 1.00 0.00 O ATOM 245 OE2 GLU A 18 -18.790 16.162 -16.428 1.00 0.00 O ATOM 0 H GLU A 18 -15.099 14.106 -16.033 1.00 0.00 H new ATOM 0 HA GLU A 18 -15.487 13.482 -13.223 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -17.854 13.931 -13.743 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -16.831 15.246 -14.284 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -16.944 14.378 -16.623 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -17.958 13.053 -16.085 1.00 0.00 H new ATOM 252 N GLU A 19 -15.646 11.093 -15.305 1.00 0.00 N ATOM 253 CA GLU A 19 -15.782 9.636 -15.433 1.00 0.00 C ATOM 254 C GLU A 19 -14.683 8.910 -14.646 1.00 0.00 C ATOM 255 O GLU A 19 -14.949 8.024 -13.833 1.00 0.00 O ATOM 256 CB GLU A 19 -15.668 9.228 -16.909 1.00 0.00 C ATOM 257 CG GLU A 19 -16.924 9.499 -17.740 1.00 0.00 C ATOM 258 CD GLU A 19 -18.109 8.608 -17.328 1.00 0.00 C ATOM 259 OE1 GLU A 19 -18.074 7.385 -17.599 1.00 0.00 O ATOM 260 OE2 GLU A 19 -19.092 9.129 -16.750 1.00 0.00 O ATOM 0 H GLU A 19 -15.097 11.508 -16.057 1.00 0.00 H new ATOM 0 HA GLU A 19 -16.757 9.357 -15.034 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -14.829 9.761 -17.357 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -15.435 8.165 -16.962 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -17.207 10.546 -17.633 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -16.700 9.335 -18.794 1.00 0.00 H new ATOM 267 N LEU A 20 -13.436 9.308 -14.895 1.00 0.00 N ATOM 268 CA LEU A 20 -12.217 8.716 -14.334 1.00 0.00 C ATOM 269 C LEU A 20 -12.197 8.850 -12.810 1.00 0.00 C ATOM 270 O LEU A 20 -11.980 7.876 -12.089 1.00 0.00 O ATOM 271 CB LEU A 20 -11.005 9.446 -14.936 1.00 0.00 C ATOM 272 CG LEU A 20 -10.950 9.436 -16.478 1.00 0.00 C ATOM 273 CD1 LEU A 20 -10.209 10.696 -16.931 1.00 0.00 C ATOM 274 CD2 LEU A 20 -10.304 8.153 -17.012 1.00 0.00 C ATOM 0 H LEU A 20 -13.236 10.088 -15.522 1.00 0.00 H new ATOM 0 HA LEU A 20 -12.184 7.654 -14.578 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -11.013 10.480 -14.593 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -10.094 8.989 -14.550 1.00 0.00 H new ATOM 0 HG LEU A 20 -11.959 9.445 -16.890 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -10.155 10.715 -18.020 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -10.743 11.579 -16.579 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -9.200 10.693 -16.518 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -10.283 8.182 -18.101 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -9.286 8.073 -16.631 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -10.883 7.290 -16.683 1.00 0.00 H new ATOM 286 N LYS A 21 -12.487 10.059 -12.319 1.00 0.00 N ATOM 287 CA LYS A 21 -12.639 10.311 -10.876 1.00 0.00 C ATOM 288 C LYS A 21 -13.812 9.521 -10.261 1.00 0.00 C ATOM 289 O LYS A 21 -13.679 9.003 -9.150 1.00 0.00 O ATOM 290 CB LYS A 21 -12.772 11.825 -10.613 1.00 0.00 C ATOM 291 CG LYS A 21 -11.434 12.577 -10.480 1.00 0.00 C ATOM 292 CD LYS A 21 -10.425 12.329 -11.615 1.00 0.00 C ATOM 293 CE LYS A 21 -9.261 13.333 -11.600 1.00 0.00 C ATOM 294 NZ LYS A 21 -8.380 13.173 -10.410 1.00 0.00 N ATOM 0 H LYS A 21 -12.623 10.886 -12.901 1.00 0.00 H new ATOM 0 HA LYS A 21 -11.739 9.950 -10.379 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -13.345 12.272 -11.426 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -13.348 11.972 -9.699 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -11.641 13.646 -10.427 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -10.970 12.295 -9.535 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -10.029 11.317 -11.529 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -10.940 12.389 -12.574 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -8.668 13.209 -12.506 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -9.661 14.347 -11.617 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -7.612 13.874 -10.450 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -8.937 13.318 -9.544 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -7.975 12.215 -10.405 1.00 0.00 H new ATOM 308 N ALA A 22 -14.928 9.351 -10.983 1.00 0.00 N ATOM 309 CA ALA A 22 -16.095 8.598 -10.504 1.00 0.00 C ATOM 310 C ALA A 22 -15.850 7.078 -10.425 1.00 0.00 C ATOM 311 O ALA A 22 -16.381 6.434 -9.522 1.00 0.00 O ATOM 312 CB ALA A 22 -17.310 8.930 -11.375 1.00 0.00 C ATOM 0 H ALA A 22 -15.047 9.734 -11.921 1.00 0.00 H new ATOM 0 HA ALA A 22 -16.289 8.910 -9.478 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -18.176 8.371 -11.020 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -17.518 9.998 -11.317 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -17.102 8.657 -12.409 1.00 0.00 H new ATOM 391 N GLU A 29 -12.815 2.159 -1.618 1.00 0.00 N ATOM 392 CA GLU A 29 -12.028 1.130 -0.941 1.00 0.00 C ATOM 393 C GLU A 29 -10.523 1.365 -1.127 1.00 0.00 C ATOM 394 O GLU A 29 -10.116 2.341 -1.749 1.00 0.00 O ATOM 395 CB GLU A 29 -12.430 -0.246 -1.497 1.00 0.00 C ATOM 396 CG GLU A 29 -12.872 -1.222 -0.396 1.00 0.00 C ATOM 397 CD GLU A 29 -14.121 -0.733 0.358 1.00 0.00 C ATOM 398 OE1 GLU A 29 -15.225 -0.721 -0.232 1.00 0.00 O ATOM 399 OE2 GLU A 29 -14.004 -0.377 1.555 1.00 0.00 O ATOM 0 HA GLU A 29 -12.233 1.173 0.129 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -13.242 -0.121 -2.214 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -11.588 -0.674 -2.040 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -13.078 -2.196 -0.840 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -12.055 -1.360 0.312 1.00 0.00 H new ATOM 406 N TYR A 30 -9.697 0.451 -0.609 1.00 0.00 N ATOM 407 CA TYR A 30 -8.233 0.483 -0.691 1.00 0.00 C ATOM 408 C TYR A 30 -7.602 -0.817 -0.173 1.00 0.00 C ATOM 409 O TYR A 30 -8.140 -1.485 0.716 1.00 0.00 O ATOM 410 CB TYR A 30 -7.658 1.681 0.082 1.00 0.00 C ATOM 411 CG TYR A 30 -7.840 1.574 1.584 1.00 0.00 C ATOM 412 CD1 TYR A 30 -9.120 1.736 2.151 1.00 0.00 C ATOM 413 CD2 TYR A 30 -6.746 1.228 2.400 1.00 0.00 C ATOM 414 CE1 TYR A 30 -9.301 1.583 3.539 1.00 0.00 C ATOM 415 CE2 TYR A 30 -6.922 1.060 3.787 1.00 0.00 C ATOM 416 CZ TYR A 30 -8.198 1.248 4.362 1.00 0.00 C ATOM 417 OH TYR A 30 -8.363 1.095 5.708 1.00 0.00 O ATOM 0 H TYR A 30 -10.043 -0.363 -0.101 1.00 0.00 H new ATOM 0 HA TYR A 30 -7.982 0.588 -1.746 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -6.595 1.772 -0.142 1.00 0.00 H new ATOM 0 HB3 TYR A 30 -8.137 2.595 -0.270 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -9.963 1.978 1.520 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -5.769 1.091 1.961 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -10.279 1.721 3.975 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -6.083 0.788 4.410 1.00 0.00 H new ATOM 0 HH TYR A 30 -7.504 0.865 6.119 1.00 0.00 H new ATOM 427 N ALA A 31 -6.434 -1.146 -0.717 1.00 0.00 N ATOM 428 CA ALA A 31 -5.611 -2.287 -0.331 1.00 0.00 C ATOM 429 C ALA A 31 -4.132 -1.985 -0.595 1.00 0.00 C ATOM 430 O ALA A 31 -3.788 -1.280 -1.545 1.00 0.00 O ATOM 431 CB ALA A 31 -6.094 -3.528 -1.095 1.00 0.00 C ATOM 0 H ALA A 31 -6.018 -0.601 -1.472 1.00 0.00 H new ATOM 0 HA ALA A 31 -5.710 -2.482 0.737 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -5.486 -4.388 -0.814 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -7.137 -3.725 -0.847 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -6.003 -3.354 -2.167 1.00 0.00 H new ATOM 437 N TRP A 32 -3.264 -2.541 0.249 1.00 0.00 N ATOM 438 CA TRP A 32 -1.812 -2.477 0.102 1.00 0.00 C ATOM 439 C TRP A 32 -1.257 -3.840 -0.318 1.00 0.00 C ATOM 440 O TRP A 32 -1.765 -4.885 0.094 1.00 0.00 O ATOM 441 CB TRP A 32 -1.181 -1.996 1.413 1.00 0.00 C ATOM 442 CG TRP A 32 -1.248 -0.522 1.650 1.00 0.00 C ATOM 443 CD1 TRP A 32 -2.326 0.182 2.062 1.00 0.00 C ATOM 444 CD2 TRP A 32 -0.184 0.458 1.457 1.00 0.00 C ATOM 445 NE1 TRP A 32 -2.000 1.521 2.152 1.00 0.00 N ATOM 446 CE2 TRP A 32 -0.677 1.743 1.840 1.00 0.00 C ATOM 447 CE3 TRP A 32 1.149 0.385 0.993 1.00 0.00 C ATOM 448 CZ2 TRP A 32 0.134 2.889 1.810 1.00 0.00 C ATOM 449 CZ3 TRP A 32 1.950 1.538 0.920 1.00 0.00 C ATOM 450 CH2 TRP A 32 1.448 2.777 1.341 1.00 0.00 C ATOM 0 H TRP A 32 -3.560 -3.062 1.075 1.00 0.00 H new ATOM 0 HA TRP A 32 -1.559 -1.763 -0.682 1.00 0.00 H new ATOM 0 HB2 TRP A 32 -1.674 -2.504 2.242 1.00 0.00 H new ATOM 0 HB3 TRP A 32 -0.135 -2.303 1.428 1.00 0.00 H new ATOM 0 HD1 TRP A 32 -3.295 -0.239 2.287 1.00 0.00 H new ATOM 0 HE1 TRP A 32 -2.657 2.255 2.417 1.00 0.00 H new ATOM 0 HE3 TRP A 32 1.557 -0.568 0.691 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 -0.250 3.842 2.144 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 2.958 1.469 0.537 1.00 0.00 H new ATOM 0 HH2 TRP A 32 2.080 3.652 1.303 1.00 0.00 H new ATOM 461 N TYR A 33 -0.180 -3.823 -1.101 1.00 0.00 N ATOM 462 CA TYR A 33 0.484 -5.015 -1.638 1.00 0.00 C ATOM 463 C TYR A 33 2.013 -4.884 -1.581 1.00 0.00 C ATOM 464 O TYR A 33 2.551 -3.778 -1.634 1.00 0.00 O ATOM 465 CB TYR A 33 0.039 -5.253 -3.092 1.00 0.00 C ATOM 466 CG TYR A 33 -1.433 -5.558 -3.307 1.00 0.00 C ATOM 467 CD1 TYR A 33 -2.382 -4.513 -3.312 1.00 0.00 C ATOM 468 CD2 TYR A 33 -1.849 -6.882 -3.548 1.00 0.00 C ATOM 469 CE1 TYR A 33 -3.748 -4.791 -3.511 1.00 0.00 C ATOM 470 CE2 TYR A 33 -3.214 -7.166 -3.748 1.00 0.00 C ATOM 471 CZ TYR A 33 -4.167 -6.121 -3.727 1.00 0.00 C ATOM 472 OH TYR A 33 -5.486 -6.399 -3.917 1.00 0.00 O ATOM 0 H TYR A 33 0.270 -2.954 -1.389 1.00 0.00 H new ATOM 0 HA TYR A 33 0.194 -5.864 -1.020 1.00 0.00 H new ATOM 0 HB2 TYR A 33 0.293 -4.369 -3.676 1.00 0.00 H new ATOM 0 HB3 TYR A 33 0.622 -6.081 -3.496 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -2.058 -3.494 -3.162 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -1.121 -7.679 -3.579 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -4.472 -3.990 -3.498 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -3.534 -8.184 -3.918 1.00 0.00 H new ATOM 0 HH TYR A 33 -5.601 -7.363 -4.052 1.00 0.00 H new ATOM 482 N TYR A 34 2.716 -6.016 -1.537 1.00 0.00 N ATOM 483 CA TYR A 34 4.181 -6.105 -1.628 1.00 0.00 C ATOM 484 C TYR A 34 4.611 -7.237 -2.578 1.00 0.00 C ATOM 485 O TYR A 34 3.912 -8.245 -2.684 1.00 0.00 O ATOM 486 CB TYR A 34 4.786 -6.302 -0.228 1.00 0.00 C ATOM 487 CG TYR A 34 4.531 -7.658 0.409 1.00 0.00 C ATOM 488 CD1 TYR A 34 3.318 -7.912 1.079 1.00 0.00 C ATOM 489 CD2 TYR A 34 5.515 -8.668 0.335 1.00 0.00 C ATOM 490 CE1 TYR A 34 3.080 -9.168 1.666 1.00 0.00 C ATOM 491 CE2 TYR A 34 5.285 -9.923 0.927 1.00 0.00 C ATOM 492 CZ TYR A 34 4.065 -10.180 1.593 1.00 0.00 C ATOM 493 OH TYR A 34 3.848 -11.398 2.163 1.00 0.00 O ATOM 0 H TYR A 34 2.271 -6.928 -1.434 1.00 0.00 H new ATOM 0 HA TYR A 34 4.558 -5.170 -2.042 1.00 0.00 H new ATOM 0 HB2 TYR A 34 5.863 -6.146 -0.291 1.00 0.00 H new ATOM 0 HB3 TYR A 34 4.391 -5.530 0.432 1.00 0.00 H new ATOM 0 HD1 TYR A 34 2.567 -7.138 1.142 1.00 0.00 H new ATOM 0 HD2 TYR A 34 6.446 -8.476 -0.177 1.00 0.00 H new ATOM 0 HE1 TYR A 34 2.145 -9.359 2.172 1.00 0.00 H new ATOM 0 HE2 TYR A 34 6.042 -10.692 0.873 1.00 0.00 H new ATOM 0 HH TYR A 34 4.629 -11.972 2.016 1.00 0.00 H new ATOM 503 N GLU A 35 5.750 -7.088 -3.261 1.00 0.00 N ATOM 504 CA GLU A 35 6.319 -8.161 -4.084 1.00 0.00 C ATOM 505 C GLU A 35 7.025 -9.191 -3.192 1.00 0.00 C ATOM 506 O GLU A 35 8.129 -8.950 -2.698 1.00 0.00 O ATOM 507 CB GLU A 35 7.270 -7.623 -5.167 1.00 0.00 C ATOM 508 CG GLU A 35 6.535 -6.805 -6.235 1.00 0.00 C ATOM 509 CD GLU A 35 7.357 -6.722 -7.530 1.00 0.00 C ATOM 510 OE1 GLU A 35 8.227 -5.829 -7.651 1.00 0.00 O ATOM 511 OE2 GLU A 35 7.146 -7.565 -8.435 1.00 0.00 O ATOM 0 H GLU A 35 6.300 -6.229 -3.260 1.00 0.00 H new ATOM 0 HA GLU A 35 5.496 -8.649 -4.606 1.00 0.00 H new ATOM 0 HB2 GLU A 35 8.034 -7.002 -4.700 1.00 0.00 H new ATOM 0 HB3 GLU A 35 7.784 -8.458 -5.643 1.00 0.00 H new ATOM 0 HG2 GLU A 35 5.567 -7.260 -6.444 1.00 0.00 H new ATOM 0 HG3 GLU A 35 6.341 -5.801 -5.859 1.00 0.00 H new ATOM 518 N GLY A 36 6.368 -10.335 -2.974 1.00 0.00 N ATOM 519 CA GLY A 36 6.852 -11.447 -2.148 1.00 0.00 C ATOM 520 C GLY A 36 7.442 -12.590 -2.977 1.00 0.00 C ATOM 521 O GLY A 36 8.202 -12.362 -3.920 1.00 0.00 O ATOM 0 H GLY A 36 5.452 -10.519 -3.382 1.00 0.00 H new ATOM 0 HA2 GLY A 36 7.610 -11.077 -1.457 1.00 0.00 H new ATOM 0 HA3 GLY A 36 6.029 -11.830 -1.544 1.00 0.00 H new ATOM 525 N ARG A 37 7.102 -13.829 -2.606 1.00 0.00 N ATOM 526 CA ARG A 37 7.674 -15.072 -3.157 1.00 0.00 C ATOM 527 C ARG A 37 7.522 -15.273 -4.677 1.00 0.00 C ATOM 528 O ARG A 37 8.385 -15.900 -5.294 1.00 0.00 O ATOM 529 CB ARG A 37 7.091 -16.285 -2.404 1.00 0.00 C ATOM 530 CG ARG A 37 5.552 -16.322 -2.352 1.00 0.00 C ATOM 531 CD ARG A 37 5.031 -17.655 -1.807 1.00 0.00 C ATOM 532 NE ARG A 37 3.559 -17.650 -1.716 1.00 0.00 N ATOM 533 CZ ARG A 37 2.694 -17.908 -2.692 1.00 0.00 C ATOM 534 NH1 ARG A 37 3.080 -18.216 -3.913 1.00 0.00 N ATOM 535 NH2 ARG A 37 1.403 -17.857 -2.445 1.00 0.00 N ATOM 0 H ARG A 37 6.397 -14.005 -1.890 1.00 0.00 H new ATOM 0 HA ARG A 37 8.749 -14.980 -3.002 1.00 0.00 H new ATOM 0 HB2 ARG A 37 7.448 -17.198 -2.879 1.00 0.00 H new ATOM 0 HB3 ARG A 37 7.477 -16.284 -1.385 1.00 0.00 H new ATOM 0 HG2 ARG A 37 5.190 -15.507 -1.725 1.00 0.00 H new ATOM 0 HG3 ARG A 37 5.151 -16.157 -3.352 1.00 0.00 H new ATOM 0 HD2 ARG A 37 5.356 -18.469 -2.455 1.00 0.00 H new ATOM 0 HD3 ARG A 37 5.459 -17.841 -0.822 1.00 0.00 H new ATOM 0 HE ARG A 37 3.161 -17.424 -0.804 1.00 0.00 H new ATOM 0 HH11 ARG A 37 4.074 -18.263 -4.137 1.00 0.00 H new ATOM 0 HH12 ARG A 37 2.385 -18.407 -4.635 1.00 0.00 H new ATOM 0 HH21 ARG A 37 1.072 -17.621 -1.510 1.00 0.00 H new ATOM 0 HH22 ARG A 37 0.733 -18.054 -3.189 1.00 0.00 H new ATOM 549 N ASN A 38 6.440 -14.765 -5.280 1.00 0.00 N ATOM 550 CA ASN A 38 6.081 -14.994 -6.692 1.00 0.00 C ATOM 551 C ASN A 38 5.416 -13.787 -7.397 1.00 0.00 C ATOM 552 O ASN A 38 5.254 -13.802 -8.620 1.00 0.00 O ATOM 553 CB ASN A 38 5.178 -16.239 -6.810 1.00 0.00 C ATOM 554 CG ASN A 38 5.831 -17.536 -6.355 1.00 0.00 C ATOM 555 OD1 ASN A 38 5.660 -17.974 -5.224 1.00 0.00 O ATOM 556 ND2 ASN A 38 6.570 -18.199 -7.221 1.00 0.00 N ATOM 0 H ASN A 38 5.772 -14.169 -4.791 1.00 0.00 H new ATOM 0 HA ASN A 38 7.026 -15.151 -7.213 1.00 0.00 H new ATOM 0 HB2 ASN A 38 4.275 -16.075 -6.221 1.00 0.00 H new ATOM 0 HB3 ASN A 38 4.866 -16.349 -7.848 1.00 0.00 H new ATOM 0 HD21 ASN A 38 7.003 -19.082 -6.951 1.00 0.00 H new ATOM 0 HD22 ASN A 38 6.709 -17.829 -8.161 1.00 0.00 H new ATOM 563 N GLY A 39 5.025 -12.747 -6.648 1.00 0.00 N ATOM 564 CA GLY A 39 4.311 -11.565 -7.154 1.00 0.00 C ATOM 565 C GLY A 39 3.716 -10.714 -6.033 1.00 0.00 C ATOM 566 O GLY A 39 4.133 -10.830 -4.879 1.00 0.00 O ATOM 0 H GLY A 39 5.201 -12.703 -5.644 1.00 0.00 H new ATOM 0 HA2 GLY A 39 4.996 -10.956 -7.743 1.00 0.00 H new ATOM 0 HA3 GLY A 39 3.513 -11.886 -7.824 1.00 0.00 H new ATOM 570 N TRP A 40 2.751 -9.858 -6.373 1.00 0.00 N ATOM 571 CA TRP A 40 2.029 -9.017 -5.421 1.00 0.00 C ATOM 572 C TRP A 40 1.139 -9.844 -4.480 1.00 0.00 C ATOM 573 O TRP A 40 0.255 -10.576 -4.931 1.00 0.00 O ATOM 574 CB TRP A 40 1.195 -7.994 -6.201 1.00 0.00 C ATOM 575 CG TRP A 40 1.996 -7.055 -7.045 1.00 0.00 C ATOM 576 CD1 TRP A 40 2.101 -7.098 -8.390 1.00 0.00 C ATOM 577 CD2 TRP A 40 2.842 -5.944 -6.615 1.00 0.00 C ATOM 578 NE1 TRP A 40 2.935 -6.087 -8.823 1.00 0.00 N ATOM 579 CE2 TRP A 40 3.408 -5.329 -7.771 1.00 0.00 C ATOM 580 CE3 TRP A 40 3.190 -5.400 -5.361 1.00 0.00 C ATOM 581 CZ2 TRP A 40 4.250 -4.209 -7.690 1.00 0.00 C ATOM 582 CZ3 TRP A 40 4.042 -4.285 -5.269 1.00 0.00 C ATOM 583 CH2 TRP A 40 4.559 -3.678 -6.426 1.00 0.00 C ATOM 0 H TRP A 40 2.445 -9.728 -7.337 1.00 0.00 H new ATOM 0 HA TRP A 40 2.754 -8.503 -4.790 1.00 0.00 H new ATOM 0 HB2 TRP A 40 0.493 -8.529 -6.841 1.00 0.00 H new ATOM 0 HB3 TRP A 40 0.603 -7.412 -5.494 1.00 0.00 H new ATOM 0 HD1 TRP A 40 1.608 -7.814 -9.030 1.00 0.00 H new ATOM 0 HE1 TRP A 40 3.173 -5.920 -9.801 1.00 0.00 H new ATOM 0 HE3 TRP A 40 2.797 -5.846 -4.459 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 4.655 -3.762 -8.586 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 4.302 -3.891 -4.298 1.00 0.00 H new ATOM 0 HH2 TRP A 40 5.192 -2.806 -6.344 1.00 0.00 H new ATOM 594 N TRP A 41 1.336 -9.666 -3.170 1.00 0.00 N ATOM 595 CA TRP A 41 0.531 -10.271 -2.104 1.00 0.00 C ATOM 596 C TRP A 41 -0.018 -9.182 -1.176 1.00 0.00 C ATOM 597 O TRP A 41 0.681 -8.218 -0.859 1.00 0.00 O ATOM 598 CB TRP A 41 1.379 -11.308 -1.352 1.00 0.00 C ATOM 599 CG TRP A 41 1.861 -12.431 -2.217 1.00 0.00 C ATOM 600 CD1 TRP A 41 3.152 -12.754 -2.447 1.00 0.00 C ATOM 601 CD2 TRP A 41 1.074 -13.339 -3.045 1.00 0.00 C ATOM 602 NE1 TRP A 41 3.221 -13.779 -3.373 1.00 0.00 N ATOM 603 CE2 TRP A 41 1.966 -14.153 -3.803 1.00 0.00 C ATOM 604 CE3 TRP A 41 -0.308 -13.530 -3.258 1.00 0.00 C ATOM 605 CZ2 TRP A 41 1.512 -15.081 -4.752 1.00 0.00 C ATOM 606 CZ3 TRP A 41 -0.775 -14.462 -4.201 1.00 0.00 C ATOM 607 CH2 TRP A 41 0.129 -15.235 -4.952 1.00 0.00 C ATOM 0 H TRP A 41 2.086 -9.076 -2.810 1.00 0.00 H new ATOM 0 HA TRP A 41 -0.328 -10.789 -2.530 1.00 0.00 H new ATOM 0 HB2 TRP A 41 2.240 -10.808 -0.908 1.00 0.00 H new ATOM 0 HB3 TRP A 41 0.791 -11.719 -0.532 1.00 0.00 H new ATOM 0 HD1 TRP A 41 4.003 -12.283 -1.978 1.00 0.00 H new ATOM 0 HE1 TRP A 41 4.090 -14.204 -3.697 1.00 0.00 H new ATOM 0 HE3 TRP A 41 -1.018 -12.951 -2.687 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 2.216 -15.670 -5.322 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 -1.837 -14.586 -4.350 1.00 0.00 H new ATOM 0 HH2 TRP A 41 -0.238 -15.944 -5.679 1.00 0.00 H new ATOM 618 N GLN A 42 -1.289 -9.307 -0.791 1.00 0.00 N ATOM 619 CA GLN A 42 -2.017 -8.277 -0.047 1.00 0.00 C ATOM 620 C GLN A 42 -1.661 -8.322 1.450 1.00 0.00 C ATOM 621 O GLN A 42 -1.598 -9.396 2.054 1.00 0.00 O ATOM 622 CB GLN A 42 -3.528 -8.464 -0.279 1.00 0.00 C ATOM 623 CG GLN A 42 -4.340 -7.206 0.063 1.00 0.00 C ATOM 624 CD GLN A 42 -5.846 -7.467 -0.017 1.00 0.00 C ATOM 625 OE1 GLN A 42 -6.488 -7.876 0.944 1.00 0.00 O ATOM 626 NE2 GLN A 42 -6.479 -7.257 -1.154 1.00 0.00 N ATOM 0 H GLN A 42 -1.849 -10.136 -0.989 1.00 0.00 H new ATOM 0 HA GLN A 42 -1.725 -7.291 -0.409 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -3.701 -8.731 -1.322 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -3.884 -9.297 0.327 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -4.082 -6.868 1.066 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -4.073 -6.402 -0.623 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -5.967 -6.917 -1.968 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -7.481 -7.435 -1.220 1.00 0.00 H new ATOM 635 N TYR A 43 -1.463 -7.152 2.064 1.00 0.00 N ATOM 636 CA TYR A 43 -1.322 -7.001 3.519 1.00 0.00 C ATOM 637 C TYR A 43 -2.636 -7.283 4.280 1.00 0.00 C ATOM 638 O TYR A 43 -3.735 -7.165 3.730 1.00 0.00 O ATOM 639 CB TYR A 43 -0.834 -5.581 3.830 1.00 0.00 C ATOM 640 CG TYR A 43 0.640 -5.335 3.583 1.00 0.00 C ATOM 641 CD1 TYR A 43 1.580 -5.659 4.579 1.00 0.00 C ATOM 642 CD2 TYR A 43 1.066 -4.731 2.389 1.00 0.00 C ATOM 643 CE1 TYR A 43 2.940 -5.352 4.390 1.00 0.00 C ATOM 644 CE2 TYR A 43 2.419 -4.406 2.194 1.00 0.00 C ATOM 645 CZ TYR A 43 3.357 -4.713 3.202 1.00 0.00 C ATOM 646 OH TYR A 43 4.665 -4.397 3.017 1.00 0.00 O ATOM 0 H TYR A 43 -1.395 -6.269 1.559 1.00 0.00 H new ATOM 0 HA TYR A 43 -0.597 -7.740 3.859 1.00 0.00 H new ATOM 0 HB2 TYR A 43 -1.409 -4.877 3.228 1.00 0.00 H new ATOM 0 HB3 TYR A 43 -1.052 -5.360 4.875 1.00 0.00 H new ATOM 0 HD1 TYR A 43 1.257 -6.143 5.489 1.00 0.00 H new ATOM 0 HD2 TYR A 43 0.347 -4.514 1.613 1.00 0.00 H new ATOM 0 HE1 TYR A 43 3.663 -5.604 5.152 1.00 0.00 H new ATOM 0 HE2 TYR A 43 2.738 -3.926 1.281 1.00 0.00 H new ATOM 0 HH TYR A 43 5.228 -5.043 3.493 1.00 0.00 H new ATOM 656 N ASP A 44 -2.531 -7.610 5.573 1.00 0.00 N ATOM 657 CA ASP A 44 -3.691 -7.792 6.461 1.00 0.00 C ATOM 658 C ASP A 44 -4.326 -6.440 6.835 1.00 0.00 C ATOM 659 O ASP A 44 -3.692 -5.388 6.735 1.00 0.00 O ATOM 660 CB ASP A 44 -3.269 -8.599 7.703 1.00 0.00 C ATOM 661 CG ASP A 44 -4.438 -9.370 8.333 1.00 0.00 C ATOM 662 OD1 ASP A 44 -5.340 -8.719 8.908 1.00 0.00 O ATOM 663 OD2 ASP A 44 -4.456 -10.618 8.250 1.00 0.00 O ATOM 0 H ASP A 44 -1.635 -7.757 6.038 1.00 0.00 H new ATOM 0 HA ASP A 44 -4.459 -8.357 5.933 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -2.483 -9.302 7.425 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -2.844 -7.922 8.444 1.00 0.00 H new ATOM 668 N GLU A 45 -5.573 -6.459 7.299 1.00 0.00 N ATOM 669 CA GLU A 45 -6.323 -5.259 7.699 1.00 0.00 C ATOM 670 C GLU A 45 -5.791 -4.611 8.995 1.00 0.00 C ATOM 671 O GLU A 45 -6.004 -3.417 9.219 1.00 0.00 O ATOM 672 CB GLU A 45 -7.829 -5.562 7.786 1.00 0.00 C ATOM 673 CG GLU A 45 -8.200 -6.689 8.760 1.00 0.00 C ATOM 674 CD GLU A 45 -9.725 -6.819 8.896 1.00 0.00 C ATOM 675 OE1 GLU A 45 -10.348 -7.546 8.087 1.00 0.00 O ATOM 676 OE2 GLU A 45 -10.310 -6.200 9.816 1.00 0.00 O ATOM 0 H GLU A 45 -6.105 -7.322 7.412 1.00 0.00 H new ATOM 0 HA GLU A 45 -6.167 -4.516 6.917 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -8.352 -4.654 8.086 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -8.191 -5.825 6.792 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -7.781 -7.632 8.408 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -7.760 -6.490 9.737 1.00 0.00 H new ATOM 683 N ARG A 46 -5.034 -5.360 9.812 1.00 0.00 N ATOM 684 CA ARG A 46 -4.308 -4.825 10.980 1.00 0.00 C ATOM 685 C ARG A 46 -3.129 -3.942 10.558 1.00 0.00 C ATOM 686 O ARG A 46 -2.820 -2.935 11.200 1.00 0.00 O ATOM 687 CB ARG A 46 -3.746 -5.954 11.860 1.00 0.00 C ATOM 688 CG ARG A 46 -4.810 -6.736 12.635 1.00 0.00 C ATOM 689 CD ARG A 46 -5.514 -7.788 11.779 1.00 0.00 C ATOM 690 NE ARG A 46 -6.389 -8.671 12.567 1.00 0.00 N ATOM 691 CZ ARG A 46 -7.079 -9.693 12.073 1.00 0.00 C ATOM 692 NH1 ARG A 46 -7.018 -10.027 10.800 1.00 0.00 N ATOM 693 NH2 ARG A 46 -7.852 -10.403 12.868 1.00 0.00 N ATOM 0 H ARG A 46 -4.906 -6.363 9.681 1.00 0.00 H new ATOM 0 HA ARG A 46 -5.035 -4.236 11.539 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -3.189 -6.647 11.230 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -3.037 -5.528 12.569 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -4.344 -7.224 13.491 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -5.551 -6.040 13.029 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -6.105 -7.289 11.011 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -4.766 -8.391 11.264 1.00 0.00 H new ATOM 0 HE ARG A 46 -6.472 -8.484 13.566 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -6.428 -9.495 10.161 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -7.561 -10.818 10.454 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -7.919 -10.167 13.858 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -8.384 -11.189 12.494 1.00 0.00 H new ATOM 707 N THR A 47 -2.468 -4.365 9.478 1.00 0.00 N ATOM 708 CA THR A 47 -1.186 -3.840 8.980 1.00 0.00 C ATOM 709 C THR A 47 -1.364 -2.761 7.924 1.00 0.00 C ATOM 710 O THR A 47 -0.799 -1.683 8.059 1.00 0.00 O ATOM 711 CB THR A 47 -0.333 -5.000 8.452 1.00 0.00 C ATOM 712 OG1 THR A 47 -0.210 -5.952 9.488 1.00 0.00 O ATOM 713 CG2 THR A 47 1.064 -4.533 8.051 1.00 0.00 C ATOM 0 H THR A 47 -2.827 -5.121 8.895 1.00 0.00 H new ATOM 0 HA THR A 47 -0.673 -3.360 9.813 1.00 0.00 H new ATOM 0 HB THR A 47 -0.816 -5.420 7.570 1.00 0.00 H new ATOM 0 HG1 THR A 47 0.331 -6.707 9.176 1.00 0.00 H new ATOM 0 HG21 THR A 47 1.639 -5.382 7.682 1.00 0.00 H new ATOM 0 HG22 THR A 47 0.985 -3.780 7.267 1.00 0.00 H new ATOM 0 HG23 THR A 47 1.567 -4.103 8.917 1.00 0.00 H new ATOM 721 N SER A 48 -2.174 -3.001 6.898 1.00 0.00 N ATOM 722 CA SER A 48 -2.349 -2.066 5.774 1.00 0.00 C ATOM 723 C SER A 48 -2.919 -0.709 6.197 1.00 0.00 C ATOM 724 O SER A 48 -2.557 0.322 5.623 1.00 0.00 O ATOM 725 CB SER A 48 -3.231 -2.679 4.681 1.00 0.00 C ATOM 726 OG SER A 48 -4.513 -3.058 5.160 1.00 0.00 O ATOM 0 H SER A 48 -2.733 -3.850 6.815 1.00 0.00 H new ATOM 0 HA SER A 48 -1.349 -1.886 5.380 1.00 0.00 H new ATOM 0 HB2 SER A 48 -3.349 -1.961 3.869 1.00 0.00 H new ATOM 0 HB3 SER A 48 -2.731 -3.553 4.264 1.00 0.00 H new ATOM 0 HG SER A 48 -4.427 -3.844 5.739 1.00 0.00 H new ATOM 732 N ARG A 49 -3.726 -0.677 7.266 1.00 0.00 N ATOM 733 CA ARG A 49 -4.223 0.574 7.836 1.00 0.00 C ATOM 734 C ARG A 49 -3.093 1.455 8.376 1.00 0.00 C ATOM 735 O ARG A 49 -3.226 2.673 8.344 1.00 0.00 O ATOM 736 CB ARG A 49 -5.322 0.301 8.875 1.00 0.00 C ATOM 737 CG ARG A 49 -4.837 -0.227 10.239 1.00 0.00 C ATOM 738 CD ARG A 49 -4.306 0.808 11.251 1.00 0.00 C ATOM 739 NE ARG A 49 -5.186 1.983 11.404 1.00 0.00 N ATOM 740 CZ ARG A 49 -4.786 3.235 11.619 1.00 0.00 C ATOM 741 NH1 ARG A 49 -3.538 3.550 11.885 1.00 0.00 N ATOM 742 NH2 ARG A 49 -5.654 4.221 11.572 1.00 0.00 N ATOM 0 H ARG A 49 -4.048 -1.513 7.754 1.00 0.00 H new ATOM 0 HA ARG A 49 -4.680 1.151 7.032 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -5.877 1.224 9.040 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -6.022 -0.421 8.455 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -5.664 -0.762 10.706 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -4.047 -0.956 10.057 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -4.183 0.327 12.221 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -3.318 1.142 10.933 1.00 0.00 H new ATOM 0 HE ARG A 49 -6.191 1.822 11.339 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -2.827 2.820 11.934 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -3.280 4.524 12.042 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -6.635 4.028 11.371 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -5.346 5.179 11.737 1.00 0.00 H new ATOM 756 N GLU A 50 -1.970 0.879 8.829 1.00 0.00 N ATOM 757 CA GLU A 50 -0.841 1.663 9.351 1.00 0.00 C ATOM 758 C GLU A 50 -0.134 2.399 8.205 1.00 0.00 C ATOM 759 O GLU A 50 0.242 3.564 8.330 1.00 0.00 O ATOM 760 CB GLU A 50 0.169 0.763 10.089 1.00 0.00 C ATOM 761 CG GLU A 50 -0.401 -0.016 11.284 1.00 0.00 C ATOM 762 CD GLU A 50 -0.598 0.877 12.520 1.00 0.00 C ATOM 763 OE1 GLU A 50 -1.519 1.726 12.513 1.00 0.00 O ATOM 764 OE2 GLU A 50 0.156 0.724 13.509 1.00 0.00 O ATOM 0 H GLU A 50 -1.819 -0.130 8.844 1.00 0.00 H new ATOM 0 HA GLU A 50 -1.238 2.389 10.060 1.00 0.00 H new ATOM 0 HB2 GLU A 50 0.585 0.051 9.376 1.00 0.00 H new ATOM 0 HB3 GLU A 50 0.995 1.382 10.440 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -1.356 -0.461 11.003 1.00 0.00 H new ATOM 0 HG3 GLU A 50 0.271 -0.837 11.534 1.00 0.00 H new ATOM 771 N LEU A 51 -0.024 1.722 7.057 1.00 0.00 N ATOM 772 CA LEU A 51 0.570 2.225 5.822 1.00 0.00 C ATOM 773 C LEU A 51 -0.303 3.332 5.207 1.00 0.00 C ATOM 774 O LEU A 51 0.206 4.382 4.814 1.00 0.00 O ATOM 775 CB LEU A 51 0.746 1.037 4.852 1.00 0.00 C ATOM 776 CG LEU A 51 1.411 -0.224 5.444 1.00 0.00 C ATOM 777 CD1 LEU A 51 1.436 -1.344 4.400 1.00 0.00 C ATOM 778 CD2 LEU A 51 2.823 0.079 5.947 1.00 0.00 C ATOM 0 H LEU A 51 -0.363 0.765 6.963 1.00 0.00 H new ATOM 0 HA LEU A 51 1.543 2.671 6.028 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -0.235 0.760 4.466 1.00 0.00 H new ATOM 0 HB3 LEU A 51 1.340 1.372 4.002 1.00 0.00 H new ATOM 0 HG LEU A 51 0.820 -0.553 6.299 1.00 0.00 H new ATOM 0 HD11 LEU A 51 1.907 -2.229 4.827 1.00 0.00 H new ATOM 0 HD12 LEU A 51 0.416 -1.585 4.100 1.00 0.00 H new ATOM 0 HD13 LEU A 51 2.003 -1.016 3.528 1.00 0.00 H new ATOM 0 HD21 LEU A 51 3.265 -0.828 6.358 1.00 0.00 H new ATOM 0 HD22 LEU A 51 3.435 0.438 5.119 1.00 0.00 H new ATOM 0 HD23 LEU A 51 2.777 0.844 6.722 1.00 0.00 H new ATOM 790 N GLU A 52 -1.621 3.114 5.189 1.00 0.00 N ATOM 791 CA GLU A 52 -2.628 4.069 4.723 1.00 0.00 C ATOM 792 C GLU A 52 -2.710 5.337 5.598 1.00 0.00 C ATOM 793 O GLU A 52 -2.965 6.432 5.094 1.00 0.00 O ATOM 794 CB GLU A 52 -3.994 3.354 4.689 1.00 0.00 C ATOM 795 CG GLU A 52 -5.092 4.119 3.934 1.00 0.00 C ATOM 796 CD GLU A 52 -4.910 4.146 2.408 1.00 0.00 C ATOM 797 OE1 GLU A 52 -3.977 3.510 1.865 1.00 0.00 O ATOM 798 OE2 GLU A 52 -5.722 4.812 1.728 1.00 0.00 O ATOM 0 H GLU A 52 -2.030 2.236 5.510 1.00 0.00 H new ATOM 0 HA GLU A 52 -2.339 4.408 3.728 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -3.867 2.375 4.227 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -4.326 3.182 5.713 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -6.057 3.668 4.165 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -5.123 5.144 4.303 1.00 0.00 H new ATOM 805 N ASP A 53 -2.478 5.217 6.909 1.00 0.00 N ATOM 806 CA ASP A 53 -2.583 6.325 7.869 1.00 0.00 C ATOM 807 C ASP A 53 -1.326 7.195 7.859 1.00 0.00 C ATOM 808 O ASP A 53 -1.392 8.405 8.022 1.00 0.00 O ATOM 809 CB ASP A 53 -2.799 5.727 9.265 1.00 0.00 C ATOM 810 CG ASP A 53 -3.298 6.703 10.342 1.00 0.00 C ATOM 811 OD1 ASP A 53 -3.931 7.734 10.015 1.00 0.00 O ATOM 812 OD2 ASP A 53 -3.127 6.366 11.537 1.00 0.00 O ATOM 0 H ASP A 53 -2.208 4.334 7.342 1.00 0.00 H new ATOM 0 HA ASP A 53 -3.421 6.964 7.590 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -3.516 4.910 9.182 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -1.858 5.293 9.603 1.00 0.00 H new ATOM 817 N ALA A 54 -0.172 6.573 7.634 1.00 0.00 N ATOM 818 CA ALA A 54 1.143 7.210 7.650 1.00 0.00 C ATOM 819 C ALA A 54 1.289 8.373 6.648 1.00 0.00 C ATOM 820 O ALA A 54 1.668 9.474 7.056 1.00 0.00 O ATOM 821 CB ALA A 54 2.180 6.110 7.439 1.00 0.00 C ATOM 0 H ALA A 54 -0.124 5.575 7.428 1.00 0.00 H new ATOM 0 HA ALA A 54 1.295 7.696 8.614 1.00 0.00 H new ATOM 0 HB1 ALA A 54 3.179 6.546 7.444 1.00 0.00 H new ATOM 0 HB2 ALA A 54 2.100 5.376 8.241 1.00 0.00 H new ATOM 0 HB3 ALA A 54 2.002 5.622 6.481 1.00 0.00 H new ATOM 827 N PHE A 55 0.928 8.179 5.372 1.00 0.00 N ATOM 828 CA PHE A 55 0.954 9.271 4.386 1.00 0.00 C ATOM 829 C PHE A 55 -0.116 10.338 4.663 1.00 0.00 C ATOM 830 O PHE A 55 0.019 11.491 4.256 1.00 0.00 O ATOM 831 CB PHE A 55 0.861 8.723 2.954 1.00 0.00 C ATOM 832 CG PHE A 55 -0.500 8.250 2.485 1.00 0.00 C ATOM 833 CD1 PHE A 55 -1.452 9.184 2.036 1.00 0.00 C ATOM 834 CD2 PHE A 55 -0.790 6.873 2.417 1.00 0.00 C ATOM 835 CE1 PHE A 55 -2.687 8.751 1.523 1.00 0.00 C ATOM 836 CE2 PHE A 55 -2.014 6.443 1.879 1.00 0.00 C ATOM 837 CZ PHE A 55 -2.966 7.377 1.436 1.00 0.00 C ATOM 0 H PHE A 55 0.616 7.282 4.999 1.00 0.00 H new ATOM 0 HA PHE A 55 1.916 9.773 4.488 1.00 0.00 H new ATOM 0 HB2 PHE A 55 1.203 9.500 2.271 1.00 0.00 H new ATOM 0 HB3 PHE A 55 1.558 7.890 2.864 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -1.232 10.240 2.086 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -0.073 6.150 2.778 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -3.420 9.474 1.196 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -2.225 5.386 1.805 1.00 0.00 H new ATOM 0 HZ PHE A 55 -3.908 7.040 1.030 1.00 0.00 H new ATOM 847 N SER A 56 -1.164 9.955 5.390 1.00 0.00 N ATOM 848 CA SER A 56 -2.239 10.849 5.835 1.00 0.00 C ATOM 849 C SER A 56 -1.833 11.693 7.064 1.00 0.00 C ATOM 850 O SER A 56 -2.278 12.834 7.219 1.00 0.00 O ATOM 851 CB SER A 56 -3.496 10.012 6.126 1.00 0.00 C ATOM 852 OG SER A 56 -4.675 10.800 6.023 1.00 0.00 O ATOM 0 H SER A 56 -1.295 8.991 5.695 1.00 0.00 H new ATOM 0 HA SER A 56 -2.448 11.561 5.036 1.00 0.00 H new ATOM 0 HB2 SER A 56 -3.551 9.178 5.426 1.00 0.00 H new ATOM 0 HB3 SER A 56 -3.428 9.584 7.126 1.00 0.00 H new ATOM 0 HG SER A 56 -5.459 10.242 6.211 1.00 0.00 H new ATOM 858 N LYS A 57 -0.928 11.179 7.911 1.00 0.00 N ATOM 859 CA LYS A 57 -0.355 11.887 9.065 1.00 0.00 C ATOM 860 C LYS A 57 0.724 12.897 8.642 1.00 0.00 C ATOM 861 O LYS A 57 0.766 14.013 9.168 1.00 0.00 O ATOM 862 CB LYS A 57 0.249 10.856 10.030 1.00 0.00 C ATOM 863 CG LYS A 57 -0.799 10.073 10.837 1.00 0.00 C ATOM 864 CD LYS A 57 -0.263 8.696 11.257 1.00 0.00 C ATOM 865 CE LYS A 57 1.081 8.749 12.002 1.00 0.00 C ATOM 866 NZ LYS A 57 0.895 8.916 13.469 1.00 0.00 N ATOM 0 H LYS A 57 -0.564 10.232 7.808 1.00 0.00 H new ATOM 0 HA LYS A 57 -1.152 12.447 9.553 1.00 0.00 H new ATOM 0 HB2 LYS A 57 0.856 10.152 9.461 1.00 0.00 H new ATOM 0 HB3 LYS A 57 0.918 11.368 10.721 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -1.079 10.643 11.723 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -1.702 9.948 10.240 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -1.001 8.209 11.894 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -0.150 8.075 10.368 1.00 0.00 H new ATOM 0 HE2 LYS A 57 1.640 7.833 11.809 1.00 0.00 H new ATOM 0 HE3 LYS A 57 1.678 9.575 11.615 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 1.824 8.947 13.935 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 0.384 9.802 13.655 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 0.347 8.115 13.843 1.00 0.00 H new ATOM 880 N GLY A 58 1.591 12.504 7.698 1.00 0.00 N ATOM 881 CA GLY A 58 2.679 13.329 7.155 1.00 0.00 C ATOM 882 C GLY A 58 4.061 12.687 7.259 1.00 0.00 C ATOM 883 O GLY A 58 5.014 13.225 6.695 1.00 0.00 O ATOM 0 H GLY A 58 1.553 11.575 7.279 1.00 0.00 H new ATOM 0 HA2 GLY A 58 2.469 13.545 6.108 1.00 0.00 H new ATOM 0 HA3 GLY A 58 2.693 14.284 7.681 1.00 0.00 H new ATOM 887 N LYS A 59 4.196 11.546 7.949 1.00 0.00 N ATOM 888 CA LYS A 59 5.443 10.772 7.944 1.00 0.00 C ATOM 889 C LYS A 59 5.758 10.181 6.556 1.00 0.00 C ATOM 890 O LYS A 59 4.865 9.857 5.769 1.00 0.00 O ATOM 891 CB LYS A 59 5.437 9.696 9.051 1.00 0.00 C ATOM 892 CG LYS A 59 4.165 8.841 9.073 1.00 0.00 C ATOM 893 CD LYS A 59 4.311 7.555 9.898 1.00 0.00 C ATOM 894 CE LYS A 59 4.805 7.775 11.336 1.00 0.00 C ATOM 895 NZ LYS A 59 4.955 6.485 12.063 1.00 0.00 N ATOM 0 H LYS A 59 3.454 11.139 8.519 1.00 0.00 H new ATOM 0 HA LYS A 59 6.255 11.464 8.169 1.00 0.00 H new ATOM 0 HB2 LYS A 59 6.300 9.044 8.916 1.00 0.00 H new ATOM 0 HB3 LYS A 59 5.554 10.183 10.019 1.00 0.00 H new ATOM 0 HG2 LYS A 59 3.345 9.433 9.479 1.00 0.00 H new ATOM 0 HG3 LYS A 59 3.894 8.579 8.050 1.00 0.00 H new ATOM 0 HD2 LYS A 59 3.347 7.048 9.932 1.00 0.00 H new ATOM 0 HD3 LYS A 59 5.004 6.887 9.387 1.00 0.00 H new ATOM 0 HE2 LYS A 59 5.762 8.297 11.318 1.00 0.00 H new ATOM 0 HE3 LYS A 59 4.103 8.415 11.870 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 4.324 6.477 12.889 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 4.707 5.699 11.429 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 5.940 6.377 12.379 1.00 0.00 H new ATOM 909 N LYS A 60 7.053 10.006 6.272 1.00 0.00 N ATOM 910 CA LYS A 60 7.575 9.486 4.993 1.00 0.00 C ATOM 911 C LYS A 60 7.922 7.983 5.034 1.00 0.00 C ATOM 912 O LYS A 60 8.374 7.416 4.041 1.00 0.00 O ATOM 913 CB LYS A 60 8.741 10.381 4.531 1.00 0.00 C ATOM 914 CG LYS A 60 10.074 10.170 5.264 1.00 0.00 C ATOM 915 CD LYS A 60 11.070 11.290 4.918 1.00 0.00 C ATOM 916 CE LYS A 60 12.451 11.105 5.568 1.00 0.00 C ATOM 917 NZ LYS A 60 13.179 9.918 5.046 1.00 0.00 N ATOM 0 H LYS A 60 7.791 10.227 6.940 1.00 0.00 H new ATOM 0 HA LYS A 60 6.784 9.538 4.245 1.00 0.00 H new ATOM 0 HB2 LYS A 60 8.903 10.214 3.466 1.00 0.00 H new ATOM 0 HB3 LYS A 60 8.444 11.423 4.649 1.00 0.00 H new ATOM 0 HG2 LYS A 60 9.903 10.149 6.340 1.00 0.00 H new ATOM 0 HG3 LYS A 60 10.496 9.204 4.989 1.00 0.00 H new ATOM 0 HD2 LYS A 60 11.190 11.337 3.836 1.00 0.00 H new ATOM 0 HD3 LYS A 60 10.653 12.246 5.234 1.00 0.00 H new ATOM 0 HE2 LYS A 60 13.051 11.998 5.396 1.00 0.00 H new ATOM 0 HE3 LYS A 60 12.330 11.006 6.647 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 14.200 10.043 5.198 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 12.856 9.065 5.546 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 12.990 9.815 4.029 1.00 0.00 H new ATOM 931 N ASN A 61 7.713 7.341 6.185 1.00 0.00 N ATOM 932 CA ASN A 61 7.946 5.917 6.450 1.00 0.00 C ATOM 933 C ASN A 61 7.358 5.540 7.818 1.00 0.00 C ATOM 934 O ASN A 61 7.267 6.389 8.709 1.00 0.00 O ATOM 935 CB ASN A 61 9.442 5.546 6.387 1.00 0.00 C ATOM 936 CG ASN A 61 10.269 6.202 7.486 1.00 0.00 C ATOM 937 OD1 ASN A 61 10.596 7.467 7.307 1.00 0.00 O flip ATOM 938 ND2 ASN A 61 10.600 5.599 8.498 1.00 0.00 N flip ATOM 0 H ASN A 61 7.355 7.829 7.007 1.00 0.00 H new ATOM 0 HA ASN A 61 7.445 5.349 5.666 1.00 0.00 H new ATOM 0 HB2 ASN A 61 9.545 4.463 6.461 1.00 0.00 H new ATOM 0 HB3 ASN A 61 9.842 5.839 5.416 1.00 0.00 H new ATOM 0 HD21 ASN A 61 10.337 4.621 8.618 1.00 0.00 H new ATOM 0 HD22 ASN A 61 11.139 6.075 9.222 1.00 0.00 H new ATOM 945 N THR A 62 6.968 4.276 7.979 1.00 0.00 N ATOM 946 CA THR A 62 6.295 3.737 9.173 1.00 0.00 C ATOM 947 C THR A 62 6.752 2.310 9.466 1.00 0.00 C ATOM 948 O THR A 62 7.491 1.727 8.680 1.00 0.00 O ATOM 949 CB THR A 62 4.777 3.901 9.051 1.00 0.00 C ATOM 950 OG1 THR A 62 4.249 3.859 10.358 1.00 0.00 O ATOM 951 CG2 THR A 62 4.109 2.836 8.179 1.00 0.00 C ATOM 0 H THR A 62 7.115 3.569 7.259 1.00 0.00 H new ATOM 0 HA THR A 62 6.589 4.316 10.049 1.00 0.00 H new ATOM 0 HB THR A 62 4.572 4.849 8.554 1.00 0.00 H new ATOM 0 HG1 THR A 62 3.275 3.963 10.321 1.00 0.00 H new ATOM 0 HG21 THR A 62 3.035 3.018 8.141 1.00 0.00 H new ATOM 0 HG22 THR A 62 4.521 2.880 7.171 1.00 0.00 H new ATOM 0 HG23 THR A 62 4.294 1.849 8.604 1.00 0.00 H new ATOM 959 N GLU A 63 6.341 1.756 10.603 1.00 0.00 N ATOM 960 CA GLU A 63 6.803 0.469 11.127 1.00 0.00 C ATOM 961 C GLU A 63 5.640 -0.504 11.331 1.00 0.00 C ATOM 962 O GLU A 63 4.529 -0.116 11.702 1.00 0.00 O ATOM 963 CB GLU A 63 7.545 0.694 12.451 1.00 0.00 C ATOM 964 CG GLU A 63 8.925 1.309 12.205 1.00 0.00 C ATOM 965 CD GLU A 63 9.679 1.559 13.516 1.00 0.00 C ATOM 966 OE1 GLU A 63 9.292 2.476 14.279 1.00 0.00 O ATOM 967 OE2 GLU A 63 10.683 0.858 13.774 1.00 0.00 O ATOM 0 H GLU A 63 5.653 2.204 11.208 1.00 0.00 H new ATOM 0 HA GLU A 63 7.480 0.024 10.397 1.00 0.00 H new ATOM 0 HB2 GLU A 63 6.959 1.351 13.094 1.00 0.00 H new ATOM 0 HB3 GLU A 63 7.653 -0.254 12.978 1.00 0.00 H new ATOM 0 HG2 GLU A 63 9.511 0.645 11.570 1.00 0.00 H new ATOM 0 HG3 GLU A 63 8.813 2.249 11.665 1.00 0.00 H new ATOM 974 N MET A 64 5.918 -1.789 11.100 1.00 0.00 N ATOM 975 CA MET A 64 4.934 -2.877 11.101 1.00 0.00 C ATOM 976 C MET A 64 5.561 -4.214 11.507 1.00 0.00 C ATOM 977 O MET A 64 6.729 -4.489 11.227 1.00 0.00 O ATOM 978 CB MET A 64 4.257 -2.982 9.722 1.00 0.00 C ATOM 979 CG MET A 64 5.270 -3.059 8.572 1.00 0.00 C ATOM 980 SD MET A 64 4.575 -3.398 6.942 1.00 0.00 S ATOM 981 CE MET A 64 6.126 -3.792 6.100 1.00 0.00 C ATOM 0 H MET A 64 6.864 -2.113 10.901 1.00 0.00 H new ATOM 0 HA MET A 64 4.176 -2.641 11.848 1.00 0.00 H new ATOM 0 HB2 MET A 64 3.620 -3.866 9.700 1.00 0.00 H new ATOM 0 HB3 MET A 64 3.609 -2.119 9.573 1.00 0.00 H new ATOM 0 HG2 MET A 64 5.813 -2.115 8.526 1.00 0.00 H new ATOM 0 HG3 MET A 64 5.999 -3.835 8.805 1.00 0.00 H new ATOM 0 HE1 MET A 64 6.042 -3.536 5.044 1.00 0.00 H new ATOM 0 HE2 MET A 64 6.939 -3.220 6.548 1.00 0.00 H new ATOM 0 HE3 MET A 64 6.334 -4.857 6.200 1.00 0.00 H new ATOM 991 N LEU A 65 4.756 -5.050 12.163 1.00 0.00 N ATOM 992 CA LEU A 65 5.108 -6.393 12.616 1.00 0.00 C ATOM 993 C LEU A 65 4.469 -7.435 11.696 1.00 0.00 C ATOM 994 O LEU A 65 3.325 -7.289 11.260 1.00 0.00 O ATOM 995 CB LEU A 65 4.641 -6.568 14.079 1.00 0.00 C ATOM 996 CG LEU A 65 5.641 -7.249 15.031 1.00 0.00 C ATOM 997 CD1 LEU A 65 6.027 -8.678 14.639 1.00 0.00 C ATOM 998 CD2 LEU A 65 6.887 -6.376 15.202 1.00 0.00 C ATOM 0 H LEU A 65 3.798 -4.797 12.403 1.00 0.00 H new ATOM 0 HA LEU A 65 6.188 -6.534 12.577 1.00 0.00 H new ATOM 0 HB2 LEU A 65 4.399 -5.585 14.482 1.00 0.00 H new ATOM 0 HB3 LEU A 65 3.718 -7.148 14.078 1.00 0.00 H new ATOM 0 HG LEU A 65 5.121 -7.348 15.984 1.00 0.00 H new ATOM 0 HD11 LEU A 65 6.734 -9.076 15.366 1.00 0.00 H new ATOM 0 HD12 LEU A 65 5.135 -9.304 14.620 1.00 0.00 H new ATOM 0 HD13 LEU A 65 6.487 -8.673 13.651 1.00 0.00 H new ATOM 0 HD21 LEU A 65 7.586 -6.869 15.877 1.00 0.00 H new ATOM 0 HD22 LEU A 65 7.363 -6.227 14.233 1.00 0.00 H new ATOM 0 HD23 LEU A 65 6.600 -5.410 15.618 1.00 0.00 H new ATOM 1010 N ILE A 66 5.219 -8.498 11.427 1.00 0.00 N ATOM 1011 CA ILE A 66 4.806 -9.621 10.560 1.00 0.00 C ATOM 1012 C ILE A 66 4.781 -10.959 11.329 1.00 0.00 C ATOM 1013 O ILE A 66 4.591 -10.974 12.545 1.00 0.00 O ATOM 1014 CB ILE A 66 5.644 -9.632 9.262 1.00 0.00 C ATOM 1015 CG1 ILE A 66 7.128 -9.988 9.520 1.00 0.00 C ATOM 1016 CG2 ILE A 66 5.490 -8.285 8.527 1.00 0.00 C ATOM 1017 CD1 ILE A 66 7.585 -11.226 8.736 1.00 0.00 C ATOM 0 H ILE A 66 6.157 -8.616 11.811 1.00 0.00 H new ATOM 0 HA ILE A 66 3.773 -9.475 10.246 1.00 0.00 H new ATOM 0 HB ILE A 66 5.259 -10.423 8.618 1.00 0.00 H new ATOM 0 HG12 ILE A 66 7.754 -9.139 9.247 1.00 0.00 H new ATOM 0 HG13 ILE A 66 7.275 -10.163 10.586 1.00 0.00 H new ATOM 0 HG21 ILE A 66 6.083 -8.299 7.613 1.00 0.00 H new ATOM 0 HG22 ILE A 66 4.441 -8.125 8.276 1.00 0.00 H new ATOM 0 HG23 ILE A 66 5.836 -7.477 9.172 1.00 0.00 H new ATOM 0 HD11 ILE A 66 8.633 -11.429 8.955 1.00 0.00 H new ATOM 0 HD12 ILE A 66 6.980 -12.085 9.027 1.00 0.00 H new ATOM 0 HD13 ILE A 66 7.466 -11.044 7.668 1.00 0.00 H new ATOM 1029 N ALA A 67 4.987 -12.088 10.646 1.00 0.00 N ATOM 1030 CA ALA A 67 5.039 -13.431 11.229 1.00 0.00 C ATOM 1031 C ALA A 67 6.136 -13.654 12.297 1.00 0.00 C ATOM 1032 O ALA A 67 6.066 -14.634 13.044 1.00 0.00 O ATOM 1033 CB ALA A 67 5.243 -14.408 10.062 1.00 0.00 C ATOM 0 H ALA A 67 5.127 -12.092 9.636 1.00 0.00 H new ATOM 0 HA ALA A 67 4.106 -13.589 11.770 1.00 0.00 H new ATOM 0 HB1 ALA A 67 5.289 -15.428 10.445 1.00 0.00 H new ATOM 0 HB2 ALA A 67 4.411 -14.320 9.364 1.00 0.00 H new ATOM 0 HB3 ALA A 67 6.175 -14.171 9.548 1.00 0.00 H new ATOM 1039 N GLY A 68 7.138 -12.765 12.388 1.00 0.00 N ATOM 1040 CA GLY A 68 8.230 -12.861 13.368 1.00 0.00 C ATOM 1041 C GLY A 68 9.288 -11.752 13.333 1.00 0.00 C ATOM 1042 O GLY A 68 10.358 -11.934 13.918 1.00 0.00 O ATOM 0 H GLY A 68 7.213 -11.952 11.777 1.00 0.00 H new ATOM 0 HA2 GLY A 68 7.791 -12.881 14.365 1.00 0.00 H new ATOM 0 HA3 GLY A 68 8.734 -13.816 13.223 1.00 0.00 H new ATOM 1046 N PHE A 69 9.024 -10.627 12.654 1.00 0.00 N ATOM 1047 CA PHE A 69 10.009 -9.578 12.351 1.00 0.00 C ATOM 1048 C PHE A 69 9.365 -8.183 12.268 1.00 0.00 C ATOM 1049 O PHE A 69 8.195 -8.048 11.900 1.00 0.00 O ATOM 1050 CB PHE A 69 10.719 -9.894 11.019 1.00 0.00 C ATOM 1051 CG PHE A 69 11.550 -11.165 10.995 1.00 0.00 C ATOM 1052 CD1 PHE A 69 12.893 -11.133 11.418 1.00 0.00 C ATOM 1053 CD2 PHE A 69 10.991 -12.379 10.546 1.00 0.00 C ATOM 1054 CE1 PHE A 69 13.672 -12.304 11.390 1.00 0.00 C ATOM 1055 CE2 PHE A 69 11.770 -13.549 10.520 1.00 0.00 C ATOM 1056 CZ PHE A 69 13.110 -13.513 10.941 1.00 0.00 C ATOM 0 H PHE A 69 8.095 -10.415 12.290 1.00 0.00 H new ATOM 0 HA PHE A 69 10.730 -9.565 13.168 1.00 0.00 H new ATOM 0 HB2 PHE A 69 9.965 -9.961 10.235 1.00 0.00 H new ATOM 0 HB3 PHE A 69 11.367 -9.055 10.767 1.00 0.00 H new ATOM 0 HD1 PHE A 69 13.326 -10.207 11.765 1.00 0.00 H new ATOM 0 HD2 PHE A 69 9.961 -12.410 10.221 1.00 0.00 H new ATOM 0 HE1 PHE A 69 14.702 -12.275 11.713 1.00 0.00 H new ATOM 0 HE2 PHE A 69 11.338 -14.477 10.176 1.00 0.00 H new ATOM 0 HZ PHE A 69 13.708 -14.412 10.920 1.00 0.00 H new ATOM 1066 N LEU A 70 10.157 -7.147 12.567 1.00 0.00 N ATOM 1067 CA LEU A 70 9.809 -5.742 12.339 1.00 0.00 C ATOM 1068 C LEU A 70 10.319 -5.338 10.951 1.00 0.00 C ATOM 1069 O LEU A 70 11.512 -5.452 10.660 1.00 0.00 O ATOM 1070 CB LEU A 70 10.443 -4.878 13.452 1.00 0.00 C ATOM 1071 CG LEU A 70 9.926 -3.433 13.649 1.00 0.00 C ATOM 1072 CD1 LEU A 70 9.940 -2.555 12.393 1.00 0.00 C ATOM 1073 CD2 LEU A 70 8.516 -3.415 14.250 1.00 0.00 C ATOM 0 H LEU A 70 11.080 -7.267 12.984 1.00 0.00 H new ATOM 0 HA LEU A 70 8.730 -5.592 12.371 1.00 0.00 H new ATOM 0 HB2 LEU A 70 10.315 -5.407 14.396 1.00 0.00 H new ATOM 0 HB3 LEU A 70 11.515 -4.823 13.260 1.00 0.00 H new ATOM 0 HG LEU A 70 10.646 -2.997 14.342 1.00 0.00 H new ATOM 0 HD11 LEU A 70 9.559 -1.564 12.638 1.00 0.00 H new ATOM 0 HD12 LEU A 70 10.961 -2.470 12.020 1.00 0.00 H new ATOM 0 HD13 LEU A 70 9.310 -3.006 11.626 1.00 0.00 H new ATOM 0 HD21 LEU A 70 8.186 -2.383 14.374 1.00 0.00 H new ATOM 0 HD22 LEU A 70 7.830 -3.938 13.584 1.00 0.00 H new ATOM 0 HD23 LEU A 70 8.528 -3.911 15.221 1.00 0.00 H new ATOM 1085 N TYR A 71 9.421 -4.819 10.122 1.00 0.00 N ATOM 1086 CA TYR A 71 9.743 -4.190 8.839 1.00 0.00 C ATOM 1087 C TYR A 71 9.340 -2.706 8.819 1.00 0.00 C ATOM 1088 O TYR A 71 8.269 -2.322 9.293 1.00 0.00 O ATOM 1089 CB TYR A 71 9.095 -4.969 7.684 1.00 0.00 C ATOM 1090 CG TYR A 71 9.539 -6.415 7.501 1.00 0.00 C ATOM 1091 CD1 TYR A 71 10.878 -6.808 7.707 1.00 0.00 C ATOM 1092 CD2 TYR A 71 8.593 -7.383 7.111 1.00 0.00 C ATOM 1093 CE1 TYR A 71 11.251 -8.157 7.568 1.00 0.00 C ATOM 1094 CE2 TYR A 71 8.959 -8.733 6.977 1.00 0.00 C ATOM 1095 CZ TYR A 71 10.296 -9.126 7.205 1.00 0.00 C ATOM 1096 OH TYR A 71 10.683 -10.426 7.090 1.00 0.00 O ATOM 0 H TYR A 71 8.422 -4.822 10.325 1.00 0.00 H new ATOM 0 HA TYR A 71 10.824 -4.224 8.706 1.00 0.00 H new ATOM 0 HB2 TYR A 71 8.015 -4.961 7.831 1.00 0.00 H new ATOM 0 HB3 TYR A 71 9.294 -4.432 6.757 1.00 0.00 H new ATOM 0 HD1 TYR A 71 11.620 -6.070 7.973 1.00 0.00 H new ATOM 0 HD2 TYR A 71 7.574 -7.084 6.913 1.00 0.00 H new ATOM 0 HE1 TYR A 71 12.276 -8.451 7.741 1.00 0.00 H new ATOM 0 HE2 TYR A 71 8.219 -9.469 6.700 1.00 0.00 H new ATOM 0 HH TYR A 71 9.913 -10.975 6.834 1.00 0.00 H new ATOM 1106 N VAL A 72 10.213 -1.877 8.254 1.00 0.00 N ATOM 1107 CA VAL A 72 10.003 -0.451 7.994 1.00 0.00 C ATOM 1108 C VAL A 72 9.462 -0.327 6.572 1.00 0.00 C ATOM 1109 O VAL A 72 10.103 -0.791 5.633 1.00 0.00 O ATOM 1110 CB VAL A 72 11.316 0.359 8.125 1.00 0.00 C ATOM 1111 CG1 VAL A 72 11.061 1.869 7.974 1.00 0.00 C ATOM 1112 CG2 VAL A 72 12.030 0.095 9.458 1.00 0.00 C ATOM 0 H VAL A 72 11.133 -2.195 7.949 1.00 0.00 H new ATOM 0 HA VAL A 72 9.305 -0.047 8.727 1.00 0.00 H new ATOM 0 HB VAL A 72 11.963 0.021 7.316 1.00 0.00 H new ATOM 0 HG11 VAL A 72 12.003 2.409 8.071 1.00 0.00 H new ATOM 0 HG12 VAL A 72 10.628 2.069 6.994 1.00 0.00 H new ATOM 0 HG13 VAL A 72 10.371 2.201 8.750 1.00 0.00 H new ATOM 0 HG21 VAL A 72 12.945 0.685 9.504 1.00 0.00 H new ATOM 0 HG22 VAL A 72 11.376 0.376 10.283 1.00 0.00 H new ATOM 0 HG23 VAL A 72 12.277 -0.964 9.535 1.00 0.00 H new ATOM 1122 N ALA A 73 8.288 0.280 6.416 1.00 0.00 N ATOM 1123 CA ALA A 73 7.654 0.567 5.133 1.00 0.00 C ATOM 1124 C ALA A 73 7.875 2.041 4.765 1.00 0.00 C ATOM 1125 O ALA A 73 7.459 2.943 5.489 1.00 0.00 O ATOM 1126 CB ALA A 73 6.170 0.209 5.242 1.00 0.00 C ATOM 0 H ALA A 73 7.732 0.597 7.210 1.00 0.00 H new ATOM 0 HA ALA A 73 8.094 -0.029 4.334 1.00 0.00 H new ATOM 0 HB1 ALA A 73 5.675 0.416 4.293 1.00 0.00 H new ATOM 0 HB2 ALA A 73 6.068 -0.849 5.482 1.00 0.00 H new ATOM 0 HB3 ALA A 73 5.709 0.805 6.029 1.00 0.00 H new ATOM 1132 N ASP A 74 8.544 2.279 3.641 1.00 0.00 N ATOM 1133 CA ASP A 74 8.989 3.583 3.159 1.00 0.00 C ATOM 1134 C ASP A 74 8.084 4.094 2.030 1.00 0.00 C ATOM 1135 O ASP A 74 8.007 3.487 0.960 1.00 0.00 O ATOM 1136 CB ASP A 74 10.450 3.452 2.704 1.00 0.00 C ATOM 1137 CG ASP A 74 10.994 4.775 2.156 1.00 0.00 C ATOM 1138 OD1 ASP A 74 11.340 5.660 2.968 1.00 0.00 O ATOM 1139 OD2 ASP A 74 11.049 4.921 0.914 1.00 0.00 O ATOM 0 H ASP A 74 8.805 1.525 3.006 1.00 0.00 H new ATOM 0 HA ASP A 74 8.924 4.320 3.960 1.00 0.00 H new ATOM 0 HB2 ASP A 74 11.064 3.126 3.543 1.00 0.00 H new ATOM 0 HB3 ASP A 74 10.524 2.682 1.936 1.00 0.00 H new ATOM 1144 N LEU A 75 7.418 5.230 2.279 1.00 0.00 N ATOM 1145 CA LEU A 75 6.522 5.912 1.343 1.00 0.00 C ATOM 1146 C LEU A 75 7.274 6.703 0.256 1.00 0.00 C ATOM 1147 O LEU A 75 6.693 6.967 -0.794 1.00 0.00 O ATOM 1148 CB LEU A 75 5.594 6.853 2.147 1.00 0.00 C ATOM 1149 CG LEU A 75 4.457 6.148 2.920 1.00 0.00 C ATOM 1150 CD1 LEU A 75 3.955 7.012 4.086 1.00 0.00 C ATOM 1151 CD2 LEU A 75 3.306 5.861 1.960 1.00 0.00 C ATOM 0 H LEU A 75 7.493 5.715 3.173 1.00 0.00 H new ATOM 0 HA LEU A 75 5.943 5.152 0.818 1.00 0.00 H new ATOM 0 HB2 LEU A 75 6.200 7.416 2.857 1.00 0.00 H new ATOM 0 HB3 LEU A 75 5.152 7.576 1.461 1.00 0.00 H new ATOM 0 HG LEU A 75 4.844 5.217 3.335 1.00 0.00 H new ATOM 0 HD11 LEU A 75 3.155 6.488 4.609 1.00 0.00 H new ATOM 0 HD12 LEU A 75 4.776 7.204 4.777 1.00 0.00 H new ATOM 0 HD13 LEU A 75 3.576 7.959 3.701 1.00 0.00 H new ATOM 0 HD21 LEU A 75 2.499 5.363 2.498 1.00 0.00 H new ATOM 0 HD22 LEU A 75 2.939 6.798 1.541 1.00 0.00 H new ATOM 0 HD23 LEU A 75 3.657 5.216 1.154 1.00 0.00 H new ATOM 1163 N GLU A 76 8.547 7.061 0.477 1.00 0.00 N ATOM 1164 CA GLU A 76 9.339 7.846 -0.482 1.00 0.00 C ATOM 1165 C GLU A 76 9.631 7.069 -1.774 1.00 0.00 C ATOM 1166 O GLU A 76 9.410 7.563 -2.881 1.00 0.00 O ATOM 1167 CB GLU A 76 10.689 8.267 0.119 1.00 0.00 C ATOM 1168 CG GLU A 76 10.605 9.145 1.366 1.00 0.00 C ATOM 1169 CD GLU A 76 11.902 9.945 1.553 1.00 0.00 C ATOM 1170 OE1 GLU A 76 12.038 11.030 0.942 1.00 0.00 O ATOM 1171 OE2 GLU A 76 12.783 9.508 2.329 1.00 0.00 O ATOM 0 H GLU A 76 9.057 6.815 1.325 1.00 0.00 H new ATOM 0 HA GLU A 76 8.733 8.722 -0.713 1.00 0.00 H new ATOM 0 HB2 GLU A 76 11.254 7.368 0.366 1.00 0.00 H new ATOM 0 HB3 GLU A 76 11.256 8.801 -0.643 1.00 0.00 H new ATOM 0 HG2 GLU A 76 9.760 9.828 1.280 1.00 0.00 H new ATOM 0 HG3 GLU A 76 10.425 8.524 2.243 1.00 0.00 H new ATOM 1178 N ASN A 77 10.148 5.850 -1.623 1.00 0.00 N ATOM 1179 CA ASN A 77 10.575 4.956 -2.703 1.00 0.00 C ATOM 1180 C ASN A 77 9.538 3.848 -2.979 1.00 0.00 C ATOM 1181 O ASN A 77 9.677 3.091 -3.941 1.00 0.00 O ATOM 1182 CB ASN A 77 11.935 4.348 -2.316 1.00 0.00 C ATOM 1183 CG ASN A 77 13.028 5.394 -2.085 1.00 0.00 C ATOM 1184 OD1 ASN A 77 13.837 5.672 -2.963 1.00 0.00 O ATOM 1185 ND2 ASN A 77 13.098 5.993 -0.907 1.00 0.00 N ATOM 0 H ASN A 77 10.288 5.438 -0.701 1.00 0.00 H new ATOM 0 HA ASN A 77 10.666 5.530 -3.625 1.00 0.00 H new ATOM 0 HB2 ASN A 77 11.814 3.754 -1.410 1.00 0.00 H new ATOM 0 HB3 ASN A 77 12.256 3.666 -3.103 1.00 0.00 H new ATOM 0 HD21 ASN A 77 13.825 6.686 -0.730 1.00 0.00 H new ATOM 0 HD22 ASN A 77 12.425 5.762 -0.176 1.00 0.00 H new ATOM 1192 N MET A 78 8.521 3.739 -2.111 1.00 0.00 N ATOM 1193 CA MET A 78 7.513 2.665 -2.061 1.00 0.00 C ATOM 1194 C MET A 78 8.171 1.281 -1.924 1.00 0.00 C ATOM 1195 O MET A 78 8.023 0.416 -2.789 1.00 0.00 O ATOM 1196 CB MET A 78 6.527 2.733 -3.242 1.00 0.00 C ATOM 1197 CG MET A 78 5.778 4.070 -3.366 1.00 0.00 C ATOM 1198 SD MET A 78 3.983 3.961 -3.130 1.00 0.00 S ATOM 1199 CE MET A 78 3.941 3.727 -1.339 1.00 0.00 C ATOM 0 H MET A 78 8.370 4.437 -1.383 1.00 0.00 H new ATOM 0 HA MET A 78 6.918 2.825 -1.162 1.00 0.00 H new ATOM 0 HB2 MET A 78 7.073 2.549 -4.167 1.00 0.00 H new ATOM 0 HB3 MET A 78 5.798 1.930 -3.138 1.00 0.00 H new ATOM 0 HG2 MET A 78 6.185 4.768 -2.634 1.00 0.00 H new ATOM 0 HG3 MET A 78 5.976 4.491 -4.352 1.00 0.00 H new ATOM 0 HE1 MET A 78 3.152 4.344 -0.910 1.00 0.00 H new ATOM 0 HE2 MET A 78 3.745 2.679 -1.114 1.00 0.00 H new ATOM 0 HE3 MET A 78 4.901 4.017 -0.912 1.00 0.00 H new ATOM 1209 N VAL A 79 8.873 1.049 -0.814 1.00 0.00 N ATOM 1210 CA VAL A 79 9.550 -0.232 -0.498 1.00 0.00 C ATOM 1211 C VAL A 79 9.387 -0.598 0.980 1.00 0.00 C ATOM 1212 O VAL A 79 8.929 0.221 1.771 1.00 0.00 O ATOM 1213 CB VAL A 79 11.057 -0.226 -0.872 1.00 0.00 C ATOM 1214 CG1 VAL A 79 11.292 -0.066 -2.381 1.00 0.00 C ATOM 1215 CG2 VAL A 79 11.836 0.841 -0.091 1.00 0.00 C ATOM 0 H VAL A 79 8.996 1.754 -0.087 1.00 0.00 H new ATOM 0 HA VAL A 79 9.060 -0.987 -1.112 1.00 0.00 H new ATOM 0 HB VAL A 79 11.439 -1.206 -0.585 1.00 0.00 H new ATOM 0 HG11 VAL A 79 12.363 -0.069 -2.585 1.00 0.00 H new ATOM 0 HG12 VAL A 79 10.820 -0.892 -2.912 1.00 0.00 H new ATOM 0 HG13 VAL A 79 10.861 0.876 -2.718 1.00 0.00 H new ATOM 0 HG21 VAL A 79 12.886 0.811 -0.383 1.00 0.00 H new ATOM 0 HG22 VAL A 79 11.426 1.826 -0.313 1.00 0.00 H new ATOM 0 HG23 VAL A 79 11.751 0.644 0.978 1.00 0.00 H new ATOM 1225 N GLN A 80 9.796 -1.805 1.370 1.00 0.00 N ATOM 1226 CA GLN A 80 9.804 -2.259 2.763 1.00 0.00 C ATOM 1227 C GLN A 80 11.006 -3.166 3.057 1.00 0.00 C ATOM 1228 O GLN A 80 11.411 -3.950 2.199 1.00 0.00 O ATOM 1229 CB GLN A 80 8.450 -2.898 3.114 1.00 0.00 C ATOM 1230 CG GLN A 80 8.134 -4.190 2.329 1.00 0.00 C ATOM 1231 CD GLN A 80 8.526 -5.500 3.013 1.00 0.00 C ATOM 1232 OE1 GLN A 80 9.015 -5.561 4.132 1.00 0.00 O ATOM 1233 NE2 GLN A 80 8.254 -6.617 2.368 1.00 0.00 N ATOM 0 H GLN A 80 10.138 -2.509 0.715 1.00 0.00 H new ATOM 0 HA GLN A 80 9.931 -1.398 3.419 1.00 0.00 H new ATOM 0 HB2 GLN A 80 8.433 -3.122 4.181 1.00 0.00 H new ATOM 0 HB3 GLN A 80 7.659 -2.171 2.928 1.00 0.00 H new ATOM 0 HG2 GLN A 80 7.064 -4.215 2.125 1.00 0.00 H new ATOM 0 HG3 GLN A 80 8.641 -4.140 1.365 1.00 0.00 H new ATOM 0 HE21 GLN A 80 7.846 -6.580 1.434 1.00 0.00 H new ATOM 0 HE22 GLN A 80 8.452 -7.518 2.803 1.00 0.00 H new ATOM 1242 N TYR A 81 11.588 -3.017 4.253 1.00 0.00 N ATOM 1243 CA TYR A 81 12.869 -3.611 4.671 1.00 0.00 C ATOM 1244 C TYR A 81 13.029 -3.745 6.200 1.00 0.00 C ATOM 1245 O TYR A 81 12.290 -3.121 6.964 1.00 0.00 O ATOM 1246 CB TYR A 81 14.020 -2.771 4.087 1.00 0.00 C ATOM 1247 CG TYR A 81 13.927 -1.262 4.246 1.00 0.00 C ATOM 1248 CD1 TYR A 81 14.094 -0.649 5.504 1.00 0.00 C ATOM 1249 CD2 TYR A 81 13.714 -0.459 3.109 1.00 0.00 C ATOM 1250 CE1 TYR A 81 14.043 0.751 5.625 1.00 0.00 C ATOM 1251 CE2 TYR A 81 13.687 0.942 3.214 1.00 0.00 C ATOM 1252 CZ TYR A 81 13.842 1.554 4.480 1.00 0.00 C ATOM 1253 OH TYR A 81 13.806 2.911 4.602 1.00 0.00 O ATOM 0 H TYR A 81 11.162 -2.455 4.990 1.00 0.00 H new ATOM 0 HA TYR A 81 12.891 -4.630 4.284 1.00 0.00 H new ATOM 0 HB2 TYR A 81 14.949 -3.103 4.550 1.00 0.00 H new ATOM 0 HB3 TYR A 81 14.096 -2.995 3.023 1.00 0.00 H new ATOM 0 HD1 TYR A 81 14.262 -1.258 6.380 1.00 0.00 H new ATOM 0 HD2 TYR A 81 13.570 -0.925 2.146 1.00 0.00 H new ATOM 0 HE1 TYR A 81 14.158 1.213 6.594 1.00 0.00 H new ATOM 0 HE2 TYR A 81 13.548 1.549 2.332 1.00 0.00 H new ATOM 0 HH TYR A 81 13.661 3.315 3.721 1.00 0.00 H new ATOM 1263 N ARG A 82 14.031 -4.503 6.667 1.00 0.00 N ATOM 1264 CA ARG A 82 14.423 -4.563 8.090 1.00 0.00 C ATOM 1265 C ARG A 82 15.122 -3.274 8.540 1.00 0.00 C ATOM 1266 O ARG A 82 15.922 -2.717 7.788 1.00 0.00 O ATOM 1267 CB ARG A 82 15.354 -5.765 8.341 1.00 0.00 C ATOM 1268 CG ARG A 82 14.588 -7.090 8.250 1.00 0.00 C ATOM 1269 CD ARG A 82 15.460 -8.303 8.600 1.00 0.00 C ATOM 1270 NE ARG A 82 16.583 -8.468 7.664 1.00 0.00 N ATOM 1271 CZ ARG A 82 16.547 -9.019 6.456 1.00 0.00 C ATOM 1272 NH1 ARG A 82 15.431 -9.461 5.921 1.00 0.00 N ATOM 1273 NH2 ARG A 82 17.653 -9.130 5.762 1.00 0.00 N ATOM 0 H ARG A 82 14.600 -5.099 6.065 1.00 0.00 H new ATOM 0 HA ARG A 82 13.509 -4.679 8.673 1.00 0.00 H new ATOM 0 HB2 ARG A 82 16.164 -5.759 7.611 1.00 0.00 H new ATOM 0 HB3 ARG A 82 15.812 -5.674 9.326 1.00 0.00 H new ATOM 0 HG2 ARG A 82 13.732 -7.057 8.923 1.00 0.00 H new ATOM 0 HG3 ARG A 82 14.195 -7.209 7.240 1.00 0.00 H new ATOM 0 HD2 ARG A 82 15.847 -8.190 9.613 1.00 0.00 H new ATOM 0 HD3 ARG A 82 14.847 -9.204 8.592 1.00 0.00 H new ATOM 0 HE ARG A 82 17.489 -8.121 7.977 1.00 0.00 H new ATOM 0 HH11 ARG A 82 14.554 -9.387 6.436 1.00 0.00 H new ATOM 0 HH12 ARG A 82 15.442 -9.878 4.990 1.00 0.00 H new ATOM 0 HH21 ARG A 82 18.534 -8.794 6.150 1.00 0.00 H new ATOM 0 HH22 ARG A 82 17.632 -9.552 4.834 1.00 0.00 H new ATOM 1287 N ARG A 83 14.887 -2.843 9.790 1.00 0.00 N ATOM 1288 CA ARG A 83 15.456 -1.614 10.390 1.00 0.00 C ATOM 1289 C ARG A 83 16.973 -1.439 10.179 1.00 0.00 C ATOM 1290 O ARG A 83 17.434 -0.321 9.956 1.00 0.00 O ATOM 1291 CB ARG A 83 15.174 -1.591 11.907 1.00 0.00 C ATOM 1292 CG ARG A 83 13.724 -1.226 12.265 1.00 0.00 C ATOM 1293 CD ARG A 83 13.448 -1.312 13.777 1.00 0.00 C ATOM 1294 NE ARG A 83 14.398 -0.510 14.576 1.00 0.00 N ATOM 1295 CZ ARG A 83 14.292 0.772 14.915 1.00 0.00 C ATOM 1296 NH1 ARG A 83 13.233 1.501 14.638 1.00 0.00 N ATOM 1297 NH2 ARG A 83 15.282 1.351 15.560 1.00 0.00 N ATOM 0 H ARG A 83 14.280 -3.351 10.433 1.00 0.00 H new ATOM 0 HA ARG A 83 14.966 -0.790 9.872 1.00 0.00 H new ATOM 0 HB2 ARG A 83 15.405 -2.571 12.325 1.00 0.00 H new ATOM 0 HB3 ARG A 83 15.846 -0.876 12.381 1.00 0.00 H new ATOM 0 HG2 ARG A 83 13.511 -0.215 11.918 1.00 0.00 H new ATOM 0 HG3 ARG A 83 13.044 -1.894 11.737 1.00 0.00 H new ATOM 0 HD2 ARG A 83 12.432 -0.970 13.977 1.00 0.00 H new ATOM 0 HD3 ARG A 83 13.502 -2.354 14.094 1.00 0.00 H new ATOM 0 HE ARG A 83 15.232 -0.996 14.906 1.00 0.00 H new ATOM 0 HH11 ARG A 83 12.444 1.087 14.141 1.00 0.00 H new ATOM 0 HH12 ARG A 83 13.200 2.481 14.920 1.00 0.00 H new ATOM 0 HH21 ARG A 83 16.119 0.817 15.795 1.00 0.00 H new ATOM 0 HH22 ARG A 83 15.212 2.333 15.825 1.00 0.00 H new ATOM 1311 N ASN A 84 17.738 -2.535 10.244 1.00 0.00 N ATOM 1312 CA ASN A 84 19.203 -2.532 10.107 1.00 0.00 C ATOM 1313 C ASN A 84 19.725 -2.923 8.703 1.00 0.00 C ATOM 1314 O ASN A 84 20.920 -2.762 8.441 1.00 0.00 O ATOM 1315 CB ASN A 84 19.803 -3.424 11.205 1.00 0.00 C ATOM 1316 CG ASN A 84 19.569 -2.844 12.596 1.00 0.00 C ATOM 1317 OD1 ASN A 84 20.070 -1.780 12.941 1.00 0.00 O ATOM 1318 ND2 ASN A 84 18.791 -3.512 13.429 1.00 0.00 N ATOM 0 H ASN A 84 17.351 -3.467 10.396 1.00 0.00 H new ATOM 0 HA ASN A 84 19.534 -1.501 10.230 1.00 0.00 H new ATOM 0 HB2 ASN A 84 19.361 -4.419 11.147 1.00 0.00 H new ATOM 0 HB3 ASN A 84 20.873 -3.540 11.035 1.00 0.00 H new ATOM 0 HD21 ASN A 84 18.606 -3.142 14.362 1.00 0.00 H new ATOM 0 HD22 ASN A 84 18.375 -4.397 13.140 1.00 0.00 H new ATOM 1325 N GLU A 85 18.861 -3.392 7.788 1.00 0.00 N ATOM 1326 CA GLU A 85 19.229 -3.779 6.418 1.00 0.00 C ATOM 1327 C GLU A 85 18.431 -2.993 5.376 1.00 0.00 C ATOM 1328 O GLU A 85 17.523 -3.501 4.720 1.00 0.00 O ATOM 1329 CB GLU A 85 19.122 -5.292 6.174 1.00 0.00 C ATOM 1330 CG GLU A 85 20.240 -6.082 6.850 1.00 0.00 C ATOM 1331 CD GLU A 85 19.923 -6.465 8.301 1.00 0.00 C ATOM 1332 OE1 GLU A 85 18.950 -7.224 8.515 1.00 0.00 O ATOM 1333 OE2 GLU A 85 20.664 -6.048 9.221 1.00 0.00 O ATOM 0 H GLU A 85 17.868 -3.515 7.985 1.00 0.00 H new ATOM 0 HA GLU A 85 20.281 -3.519 6.303 1.00 0.00 H new ATOM 0 HB2 GLU A 85 18.159 -5.647 6.541 1.00 0.00 H new ATOM 0 HB3 GLU A 85 19.145 -5.485 5.101 1.00 0.00 H new ATOM 0 HG2 GLU A 85 20.432 -6.989 6.276 1.00 0.00 H new ATOM 0 HG3 GLU A 85 21.156 -5.491 6.830 1.00 0.00 H new ATOM 1340 N HIS A 86 18.856 -1.754 5.153 1.00 0.00 N ATOM 1341 CA HIS A 86 18.330 -0.893 4.084 1.00 0.00 C ATOM 1342 C HIS A 86 18.668 -1.425 2.668 1.00 0.00 C ATOM 1343 O HIS A 86 18.042 -1.023 1.684 1.00 0.00 O ATOM 1344 CB HIS A 86 18.841 0.540 4.310 1.00 0.00 C ATOM 1345 CG HIS A 86 18.285 1.177 5.560 1.00 0.00 C ATOM 1346 ND1 HIS A 86 17.241 2.102 5.596 1.00 0.00 N ATOM 1347 CD2 HIS A 86 18.686 0.913 6.839 1.00 0.00 C ATOM 1348 CE1 HIS A 86 17.025 2.357 6.898 1.00 0.00 C ATOM 1349 NE2 HIS A 86 17.876 1.655 7.667 1.00 0.00 N ATOM 0 H HIS A 86 19.583 -1.308 5.712 1.00 0.00 H new ATOM 0 HA HIS A 86 17.241 -0.896 4.131 1.00 0.00 H new ATOM 0 HB2 HIS A 86 19.929 0.526 4.370 1.00 0.00 H new ATOM 0 HB3 HIS A 86 18.577 1.153 3.449 1.00 0.00 H new ATOM 0 HD2 HIS A 86 19.484 0.251 7.141 1.00 0.00 H new ATOM 0 HE1 HIS A 86 16.272 3.033 7.275 1.00 0.00 H new ATOM 0 HE2 HIS A 86 17.914 1.670 8.686 1.00 0.00 H new ATOM 1357 N GLY A 87 19.624 -2.365 2.573 1.00 0.00 N ATOM 1358 CA GLY A 87 20.009 -3.077 1.347 1.00 0.00 C ATOM 1359 C GLY A 87 19.187 -4.343 1.065 1.00 0.00 C ATOM 1360 O GLY A 87 19.357 -4.933 -0.002 1.00 0.00 O ATOM 0 H GLY A 87 20.170 -2.660 3.382 1.00 0.00 H new ATOM 0 HA2 GLY A 87 19.910 -2.398 0.500 1.00 0.00 H new ATOM 0 HA3 GLY A 87 21.062 -3.350 1.415 1.00 0.00 H new ATOM 1364 N ARG A 88 18.298 -4.756 1.982 1.00 0.00 N ATOM 1365 CA ARG A 88 17.397 -5.909 1.822 1.00 0.00 C ATOM 1366 C ARG A 88 15.947 -5.438 1.863 1.00 0.00 C ATOM 1367 O ARG A 88 15.310 -5.390 2.917 1.00 0.00 O ATOM 1368 CB ARG A 88 17.698 -7.001 2.865 1.00 0.00 C ATOM 1369 CG ARG A 88 19.085 -7.640 2.673 1.00 0.00 C ATOM 1370 CD ARG A 88 19.257 -8.322 1.308 1.00 0.00 C ATOM 1371 NE ARG A 88 18.341 -9.462 1.128 1.00 0.00 N ATOM 1372 CZ ARG A 88 17.938 -9.971 -0.030 1.00 0.00 C ATOM 1373 NH1 ARG A 88 18.379 -9.510 -1.185 1.00 0.00 N ATOM 1374 NH2 ARG A 88 17.079 -10.963 -0.061 1.00 0.00 N ATOM 0 H ARG A 88 18.183 -4.285 2.879 1.00 0.00 H new ATOM 0 HA ARG A 88 17.568 -6.368 0.848 1.00 0.00 H new ATOM 0 HB2 ARG A 88 17.636 -6.570 3.864 1.00 0.00 H new ATOM 0 HB3 ARG A 88 16.934 -7.776 2.804 1.00 0.00 H new ATOM 0 HG2 ARG A 88 19.850 -6.872 2.786 1.00 0.00 H new ATOM 0 HG3 ARG A 88 19.251 -8.374 3.461 1.00 0.00 H new ATOM 0 HD2 ARG A 88 19.084 -7.593 0.517 1.00 0.00 H new ATOM 0 HD3 ARG A 88 20.286 -8.667 1.205 1.00 0.00 H new ATOM 0 HE ARG A 88 17.982 -9.903 1.975 1.00 0.00 H new ATOM 0 HH11 ARG A 88 19.049 -8.741 -1.205 1.00 0.00 H new ATOM 0 HH12 ARG A 88 18.050 -9.923 -2.058 1.00 0.00 H new ATOM 0 HH21 ARG A 88 16.715 -11.350 0.810 1.00 0.00 H new ATOM 0 HH22 ARG A 88 16.776 -11.347 -0.956 1.00 0.00 H new ATOM 1388 N ARG A 89 15.462 -5.075 0.673 1.00 0.00 N ATOM 1389 CA ARG A 89 14.179 -4.389 0.451 1.00 0.00 C ATOM 1390 C ARG A 89 13.341 -5.019 -0.667 1.00 0.00 C ATOM 1391 O ARG A 89 13.880 -5.559 -1.636 1.00 0.00 O ATOM 1392 CB ARG A 89 14.395 -2.876 0.241 1.00 0.00 C ATOM 1393 CG ARG A 89 15.093 -2.480 -1.069 1.00 0.00 C ATOM 1394 CD ARG A 89 15.484 -1.000 -1.052 1.00 0.00 C ATOM 1395 NE ARG A 89 16.050 -0.579 -2.345 1.00 0.00 N ATOM 1396 CZ ARG A 89 16.472 0.642 -2.655 1.00 0.00 C ATOM 1397 NH1 ARG A 89 16.449 1.633 -1.786 1.00 0.00 N ATOM 1398 NH2 ARG A 89 16.931 0.886 -3.865 1.00 0.00 N ATOM 0 H ARG A 89 15.967 -5.255 -0.195 1.00 0.00 H new ATOM 0 HA ARG A 89 13.589 -4.520 1.358 1.00 0.00 H new ATOM 0 HB2 ARG A 89 13.425 -2.380 0.279 1.00 0.00 H new ATOM 0 HB3 ARG A 89 14.982 -2.492 1.075 1.00 0.00 H new ATOM 0 HG2 ARG A 89 15.982 -3.094 -1.212 1.00 0.00 H new ATOM 0 HG3 ARG A 89 14.431 -2.676 -1.912 1.00 0.00 H new ATOM 0 HD2 ARG A 89 14.608 -0.393 -0.822 1.00 0.00 H new ATOM 0 HD3 ARG A 89 16.212 -0.823 -0.260 1.00 0.00 H new ATOM 0 HE ARG A 89 16.125 -1.292 -3.071 1.00 0.00 H new ATOM 0 HH11 ARG A 89 16.099 1.475 -0.841 1.00 0.00 H new ATOM 0 HH12 ARG A 89 16.781 2.558 -2.059 1.00 0.00 H new ATOM 0 HH21 ARG A 89 16.961 0.139 -4.559 1.00 0.00 H new ATOM 0 HH22 ARG A 89 17.256 1.822 -4.108 1.00 0.00 H new ATOM 1412 N ARG A 90 12.018 -4.907 -0.525 1.00 0.00 N ATOM 1413 CA ARG A 90 10.991 -5.376 -1.467 1.00 0.00 C ATOM 1414 C ARG A 90 10.066 -4.218 -1.844 1.00 0.00 C ATOM 1415 O ARG A 90 9.706 -3.414 -0.988 1.00 0.00 O ATOM 1416 CB ARG A 90 10.166 -6.501 -0.815 1.00 0.00 C ATOM 1417 CG ARG A 90 10.949 -7.814 -0.684 1.00 0.00 C ATOM 1418 CD ARG A 90 10.106 -8.885 0.023 1.00 0.00 C ATOM 1419 NE ARG A 90 10.751 -10.204 -0.030 1.00 0.00 N ATOM 1420 CZ ARG A 90 10.820 -11.034 -1.059 1.00 0.00 C ATOM 1421 NH1 ARG A 90 10.251 -10.792 -2.222 1.00 0.00 N ATOM 1422 NH2 ARG A 90 11.488 -12.148 -0.887 1.00 0.00 N ATOM 0 H ARG A 90 11.608 -4.462 0.296 1.00 0.00 H new ATOM 0 HA ARG A 90 11.477 -5.756 -2.366 1.00 0.00 H new ATOM 0 HB2 ARG A 90 9.838 -6.179 0.173 1.00 0.00 H new ATOM 0 HB3 ARG A 90 9.268 -6.677 -1.407 1.00 0.00 H new ATOM 0 HG2 ARG A 90 11.241 -8.169 -1.673 1.00 0.00 H new ATOM 0 HG3 ARG A 90 11.868 -7.640 -0.124 1.00 0.00 H new ATOM 0 HD2 ARG A 90 9.949 -8.598 1.063 1.00 0.00 H new ATOM 0 HD3 ARG A 90 9.123 -8.941 -0.444 1.00 0.00 H new ATOM 0 HE ARG A 90 11.200 -10.518 0.830 1.00 0.00 H new ATOM 0 HH11 ARG A 90 9.725 -9.929 -2.363 1.00 0.00 H new ATOM 0 HH12 ARG A 90 10.336 -11.467 -2.982 1.00 0.00 H new ATOM 0 HH21 ARG A 90 11.928 -12.345 0.012 1.00 0.00 H new ATOM 0 HH22 ARG A 90 11.568 -12.818 -1.652 1.00 0.00 H new ATOM 1436 N LYS A 91 9.666 -4.136 -3.113 1.00 0.00 N ATOM 1437 CA LYS A 91 8.697 -3.148 -3.614 1.00 0.00 C ATOM 1438 C LYS A 91 7.309 -3.301 -2.962 1.00 0.00 C ATOM 1439 O LYS A 91 6.833 -4.423 -2.767 1.00 0.00 O ATOM 1440 CB LYS A 91 8.596 -3.293 -5.149 1.00 0.00 C ATOM 1441 CG LYS A 91 9.414 -2.257 -5.943 1.00 0.00 C ATOM 1442 CD LYS A 91 8.787 -0.853 -5.927 1.00 0.00 C ATOM 1443 CE LYS A 91 7.471 -0.773 -6.721 1.00 0.00 C ATOM 1444 NZ LYS A 91 6.595 0.330 -6.240 1.00 0.00 N ATOM 0 H LYS A 91 10.010 -4.764 -3.839 1.00 0.00 H new ATOM 0 HA LYS A 91 9.051 -2.152 -3.349 1.00 0.00 H new ATOM 0 HB2 LYS A 91 8.929 -4.292 -5.430 1.00 0.00 H new ATOM 0 HB3 LYS A 91 7.549 -3.212 -5.441 1.00 0.00 H new ATOM 0 HG2 LYS A 91 10.421 -2.203 -5.529 1.00 0.00 H new ATOM 0 HG3 LYS A 91 9.511 -2.593 -6.975 1.00 0.00 H new ATOM 0 HD2 LYS A 91 8.601 -0.556 -4.895 1.00 0.00 H new ATOM 0 HD3 LYS A 91 9.499 -0.139 -6.341 1.00 0.00 H new ATOM 0 HE2 LYS A 91 7.694 -0.624 -7.778 1.00 0.00 H new ATOM 0 HE3 LYS A 91 6.939 -1.721 -6.638 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 5.961 0.630 -7.008 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 6.029 -0.003 -5.434 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 7.182 1.135 -5.942 1.00 0.00 H new ATOM 1458 N ILE A 92 6.631 -2.178 -2.697 1.00 0.00 N ATOM 1459 CA ILE A 92 5.218 -2.126 -2.265 1.00 0.00 C ATOM 1460 C ILE A 92 4.392 -1.211 -3.184 1.00 0.00 C ATOM 1461 O ILE A 92 4.952 -0.450 -3.980 1.00 0.00 O ATOM 1462 CB ILE A 92 5.075 -1.767 -0.761 1.00 0.00 C ATOM 1463 CG1 ILE A 92 5.338 -0.275 -0.503 1.00 0.00 C ATOM 1464 CG2 ILE A 92 5.967 -2.662 0.111 1.00 0.00 C ATOM 1465 CD1 ILE A 92 5.330 0.167 0.963 1.00 0.00 C ATOM 0 H ILE A 92 7.055 -1.254 -2.777 1.00 0.00 H new ATOM 0 HA ILE A 92 4.804 -3.129 -2.365 1.00 0.00 H new ATOM 0 HB ILE A 92 4.041 -1.959 -0.476 1.00 0.00 H new ATOM 0 HG12 ILE A 92 6.306 -0.018 -0.934 1.00 0.00 H new ATOM 0 HG13 ILE A 92 4.586 0.304 -1.040 1.00 0.00 H new ATOM 0 HG21 ILE A 92 5.845 -2.387 1.159 1.00 0.00 H new ATOM 0 HG22 ILE A 92 5.681 -3.705 -0.026 1.00 0.00 H new ATOM 0 HG23 ILE A 92 7.009 -2.531 -0.180 1.00 0.00 H new ATOM 0 HD11 ILE A 92 5.527 1.238 1.021 1.00 0.00 H new ATOM 0 HD12 ILE A 92 4.356 -0.048 1.402 1.00 0.00 H new ATOM 0 HD13 ILE A 92 6.102 -0.374 1.510 1.00 0.00 H new ATOM 1477 N LYS A 93 3.065 -1.280 -3.069 1.00 0.00 N ATOM 1478 CA LYS A 93 2.104 -0.422 -3.776 1.00 0.00 C ATOM 1479 C LYS A 93 0.750 -0.298 -3.049 1.00 0.00 C ATOM 1480 O LYS A 93 0.433 -1.093 -2.160 1.00 0.00 O ATOM 1481 CB LYS A 93 1.896 -0.913 -5.231 1.00 0.00 C ATOM 1482 CG LYS A 93 1.074 -2.213 -5.338 1.00 0.00 C ATOM 1483 CD LYS A 93 0.599 -2.488 -6.769 1.00 0.00 C ATOM 1484 CE LYS A 93 -0.237 -3.778 -6.797 1.00 0.00 C ATOM 1485 NZ LYS A 93 -1.057 -3.882 -8.031 1.00 0.00 N ATOM 0 H LYS A 93 2.610 -1.959 -2.459 1.00 0.00 H new ATOM 0 HA LYS A 93 2.540 0.577 -3.793 1.00 0.00 H new ATOM 0 HB2 LYS A 93 1.396 -0.130 -5.801 1.00 0.00 H new ATOM 0 HB3 LYS A 93 2.870 -1.071 -5.694 1.00 0.00 H new ATOM 0 HG2 LYS A 93 1.678 -3.051 -4.991 1.00 0.00 H new ATOM 0 HG3 LYS A 93 0.210 -2.148 -4.677 1.00 0.00 H new ATOM 0 HD2 LYS A 93 0.005 -1.650 -7.133 1.00 0.00 H new ATOM 0 HD3 LYS A 93 1.456 -2.584 -7.435 1.00 0.00 H new ATOM 0 HE2 LYS A 93 0.425 -4.641 -6.728 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -0.890 -3.806 -5.924 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -1.332 -4.873 -8.182 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -1.911 -3.297 -7.931 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -0.503 -3.548 -8.845 1.00 0.00 H new ATOM 1499 N ARG A 94 -0.061 0.666 -3.499 1.00 0.00 N ATOM 1500 CA ARG A 94 -1.486 0.806 -3.167 1.00 0.00 C ATOM 1501 C ARG A 94 -2.340 0.389 -4.373 1.00 0.00 C ATOM 1502 O ARG A 94 -1.924 0.544 -5.523 1.00 0.00 O ATOM 1503 CB ARG A 94 -1.822 2.258 -2.789 1.00 0.00 C ATOM 1504 CG ARG A 94 -1.249 2.653 -1.422 1.00 0.00 C ATOM 1505 CD ARG A 94 -1.612 4.090 -1.022 1.00 0.00 C ATOM 1506 NE ARG A 94 -3.044 4.249 -0.706 1.00 0.00 N ATOM 1507 CZ ARG A 94 -3.994 4.761 -1.475 1.00 0.00 C ATOM 1508 NH1 ARG A 94 -3.773 5.159 -2.713 1.00 0.00 N ATOM 1509 NH2 ARG A 94 -5.207 4.889 -0.992 1.00 0.00 N ATOM 0 H ARG A 94 0.268 1.398 -4.128 1.00 0.00 H new ATOM 0 HA ARG A 94 -1.703 0.163 -2.314 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -1.429 2.930 -3.552 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -2.904 2.387 -2.777 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -1.621 1.964 -0.664 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -0.164 2.549 -1.443 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -1.018 4.382 -0.156 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -1.346 4.767 -1.834 1.00 0.00 H new ATOM 0 HE ARG A 94 -3.339 3.926 0.216 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -2.839 5.079 -3.116 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -4.536 5.547 -3.268 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -5.409 4.596 -0.036 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -5.948 5.281 -1.572 1.00 0.00 H new ATOM 1523 N ASP A 95 -3.551 -0.089 -4.112 1.00 0.00 N ATOM 1524 CA ASP A 95 -4.579 -0.399 -5.109 1.00 0.00 C ATOM 1525 C ASP A 95 -5.992 -0.229 -4.521 1.00 0.00 C ATOM 1526 O ASP A 95 -6.153 0.078 -3.339 1.00 0.00 O ATOM 1527 CB ASP A 95 -4.374 -1.822 -5.670 1.00 0.00 C ATOM 1528 CG ASP A 95 -4.424 -1.845 -7.202 1.00 0.00 C ATOM 1529 OD1 ASP A 95 -5.452 -1.395 -7.762 1.00 0.00 O ATOM 1530 OD2 ASP A 95 -3.443 -2.319 -7.826 1.00 0.00 O ATOM 0 H ASP A 95 -3.861 -0.281 -3.159 1.00 0.00 H new ATOM 0 HA ASP A 95 -4.481 0.308 -5.933 1.00 0.00 H new ATOM 0 HB2 ASP A 95 -3.413 -2.210 -5.332 1.00 0.00 H new ATOM 0 HB3 ASP A 95 -5.143 -2.484 -5.272 1.00 0.00 H new ATOM 1535 N ILE A 96 -7.019 -0.434 -5.349 1.00 0.00 N ATOM 1536 CA ILE A 96 -8.434 -0.217 -5.012 1.00 0.00 C ATOM 1537 C ILE A 96 -9.253 -1.462 -5.360 1.00 0.00 C ATOM 1538 O ILE A 96 -9.088 -2.067 -6.421 1.00 0.00 O ATOM 1539 CB ILE A 96 -8.989 1.014 -5.765 1.00 0.00 C ATOM 1540 CG1 ILE A 96 -8.157 2.291 -5.528 1.00 0.00 C ATOM 1541 CG2 ILE A 96 -10.466 1.286 -5.386 1.00 0.00 C ATOM 1542 CD1 ILE A 96 -8.233 2.810 -4.094 1.00 0.00 C ATOM 0 H ILE A 96 -6.888 -0.766 -6.304 1.00 0.00 H new ATOM 0 HA ILE A 96 -8.511 -0.030 -3.941 1.00 0.00 H new ATOM 0 HB ILE A 96 -8.923 0.766 -6.824 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -7.116 2.088 -5.778 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -8.502 3.071 -6.207 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -10.827 2.158 -5.932 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -11.074 0.419 -5.644 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -10.538 1.473 -4.315 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -7.624 3.709 -4.000 1.00 0.00 H new ATOM 0 HD12 ILE A 96 -9.268 3.045 -3.846 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -7.861 2.047 -3.411 1.00 0.00 H new ATOM 1554 N ILE A 97 -10.163 -1.821 -4.459 1.00 0.00 N ATOM 1555 CA ILE A 97 -11.128 -2.919 -4.652 1.00 0.00 C ATOM 1556 C ILE A 97 -12.409 -2.413 -5.335 1.00 0.00 C ATOM 1557 O ILE A 97 -12.911 -1.339 -5.006 1.00 0.00 O ATOM 1558 CB ILE A 97 -11.460 -3.601 -3.313 1.00 0.00 C ATOM 1559 CG1 ILE A 97 -10.218 -4.158 -2.594 1.00 0.00 C ATOM 1560 CG2 ILE A 97 -12.479 -4.731 -3.517 1.00 0.00 C ATOM 1561 CD1 ILE A 97 -9.537 -3.127 -1.689 1.00 0.00 C ATOM 0 H ILE A 97 -10.259 -1.355 -3.557 1.00 0.00 H new ATOM 0 HA ILE A 97 -10.665 -3.659 -5.305 1.00 0.00 H new ATOM 0 HB ILE A 97 -11.886 -2.824 -2.677 1.00 0.00 H new ATOM 0 HG12 ILE A 97 -10.508 -5.022 -1.996 1.00 0.00 H new ATOM 0 HG13 ILE A 97 -9.502 -4.510 -3.337 1.00 0.00 H new ATOM 0 HG21 ILE A 97 -12.700 -5.200 -2.558 1.00 0.00 H new ATOM 0 HG22 ILE A 97 -13.396 -4.322 -3.940 1.00 0.00 H new ATOM 0 HG23 ILE A 97 -12.066 -5.475 -4.198 1.00 0.00 H new ATOM 0 HD11 ILE A 97 -8.669 -3.580 -1.211 1.00 0.00 H new ATOM 0 HD12 ILE A 97 -9.218 -2.273 -2.286 1.00 0.00 H new ATOM 0 HD13 ILE A 97 -10.239 -2.793 -0.925 1.00 0.00 H new ATOM 1573 N ASP A 98 -12.967 -3.224 -6.240 1.00 0.00 N ATOM 1574 CA ASP A 98 -14.180 -2.905 -7.016 1.00 0.00 C ATOM 1575 C ASP A 98 -15.471 -3.609 -6.534 1.00 0.00 C ATOM 1576 O ASP A 98 -16.566 -3.152 -6.858 1.00 0.00 O ATOM 1577 CB ASP A 98 -13.888 -3.193 -8.497 1.00 0.00 C ATOM 1578 CG ASP A 98 -14.979 -2.666 -9.446 1.00 0.00 C ATOM 1579 OD1 ASP A 98 -15.114 -1.427 -9.580 1.00 0.00 O ATOM 1580 OD2 ASP A 98 -15.656 -3.495 -10.102 1.00 0.00 O ATOM 0 H ASP A 98 -12.582 -4.142 -6.462 1.00 0.00 H new ATOM 0 HA ASP A 98 -14.399 -1.849 -6.861 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -12.933 -2.742 -8.766 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -13.783 -4.269 -8.637 1.00 0.00 H new ATOM 1585 N ILE A 99 -15.338 -4.677 -5.728 1.00 0.00 N ATOM 1586 CA ILE A 99 -16.397 -5.429 -5.003 1.00 0.00 C ATOM 1587 C ILE A 99 -17.265 -6.317 -5.945 1.00 0.00 C ATOM 1588 O ILE A 99 -17.801 -5.817 -6.941 1.00 0.00 O ATOM 1589 CB ILE A 99 -17.273 -4.500 -4.114 1.00 0.00 C ATOM 1590 CG1 ILE A 99 -16.455 -3.594 -3.159 1.00 0.00 C ATOM 1591 CG2 ILE A 99 -18.321 -5.283 -3.301 1.00 0.00 C ATOM 1592 CD1 ILE A 99 -15.736 -4.330 -2.018 1.00 0.00 C ATOM 0 H ILE A 99 -14.416 -5.075 -5.547 1.00 0.00 H new ATOM 0 HA ILE A 99 -15.873 -6.113 -4.335 1.00 0.00 H new ATOM 0 HB ILE A 99 -17.784 -3.852 -4.826 1.00 0.00 H new ATOM 0 HG12 ILE A 99 -15.713 -3.051 -3.745 1.00 0.00 H new ATOM 0 HG13 ILE A 99 -17.125 -2.851 -2.726 1.00 0.00 H new ATOM 0 HG21 ILE A 99 -18.906 -4.589 -2.697 1.00 0.00 H new ATOM 0 HG22 ILE A 99 -18.983 -5.819 -3.981 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -17.817 -5.996 -2.648 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -15.192 -3.610 -1.406 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -16.469 -4.850 -1.401 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -15.036 -5.053 -2.436 1.00 0.00 H new