USER MOD reduce.3.24.130724 H: found=0, std=0, add=593, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 592 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 67 THR OG1 : rot 21:sc= 0.235 USER MOD Set 1.2: A 70 SER OG : rot 159:sc= 1.15 USER MOD Set 2.1: A 14 ASN : amide:sc= 2.16 K(o=5.7,f=-8.4!) USER MOD Set 2.2: A 26 GLN : amide:sc= 1.04 K(o=5.7,f=-5.4!) USER MOD Set 2.3: A 28 LYS NZ :NH3+ -112:sc= 2.48 (180deg=0) USER MOD Set 3.1: A 20 GLN : amide:sc= -0.369 X(o=-0.37,f=0) USER MOD Set 3.2: A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 HIS : no HD1:sc= -0.0427 X(o=-0.043,f=-0.48) USER MOD Single : A 16 LYS NZ :NH3+ 157:sc= -0.128 (180deg=-0.645) USER MOD Single : A 22 ASN : amide:sc= 0.496 X(o=0.5,f=0) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ -107:sc= 0.711 (180deg=0.0114) USER MOD Single : A 32 HIS : no HD1:sc=-0.00272 X(o=-0.0027,f=-0.0069) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 MET CE :methyl -166:sc=-0.00284 (180deg=-0.275) USER MOD Single : A 40 ASN : amide:sc= -0.488 K(o=-0.49,f=-1.5!) USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 CYS SG : rot 73:sc= 0.283 USER MOD Single : A 49 SER OG : rot 180:sc= -0.0101 USER MOD Single : A 50 MET CE :methyl -146:sc= -0.21 (180deg=-2.04!) USER MOD Single : A 51 GLN : amide:sc= 0 X(o=0,f=-0.016) USER MOD Single : A 60 GLN : amide:sc= 0.307 X(o=0.31,f=0) USER MOD Single : A 63 ASN : amide:sc= -0.0145 X(o=-0.014,f=-0.45) USER MOD Single : A 65 ASN : amide:sc= 0 X(o=0,f=-0.01) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 78 THR OG1 : rot 54:sc= 0.368 USER MOD Single : A 83 GLN : amide:sc= 0.333 X(o=0.33,f=0) USER MOD Single : A 84 GLN : amide:sc= -0.298 X(o=-0.3,f=0) USER MOD ----------------------------------------------------------------- ATOM 145 N GLU A 11 14.400 -12.909 -5.585 1.00 0.00 N ATOM 146 CA GLU A 11 13.884 -12.681 -4.247 1.00 0.00 C ATOM 147 C GLU A 11 13.150 -11.339 -4.122 1.00 0.00 C ATOM 148 O GLU A 11 13.697 -10.251 -4.317 1.00 0.00 O ATOM 149 CB GLU A 11 14.981 -12.834 -3.165 1.00 0.00 C ATOM 150 CG GLU A 11 14.389 -12.856 -1.735 1.00 0.00 C ATOM 151 CD GLU A 11 15.415 -13.122 -0.652 1.00 0.00 C ATOM 152 OE1 GLU A 11 15.753 -14.311 -0.409 1.00 0.00 O ATOM 153 OE2 GLU A 11 15.823 -12.158 0.040 1.00 0.00 O ATOM 0 HA GLU A 11 13.145 -13.462 -4.069 1.00 0.00 H new ATOM 0 HB2 GLU A 11 15.537 -13.755 -3.341 1.00 0.00 H new ATOM 0 HB3 GLU A 11 15.691 -12.011 -3.250 1.00 0.00 H new ATOM 0 HG2 GLU A 11 13.906 -11.899 -1.537 1.00 0.00 H new ATOM 0 HG3 GLU A 11 13.614 -13.621 -1.684 1.00 0.00 H new ATOM 160 N HIS A 12 11.837 -11.402 -3.840 1.00 0.00 N ATOM 161 CA HIS A 12 10.956 -10.258 -3.804 1.00 0.00 C ATOM 162 C HIS A 12 9.698 -10.681 -3.081 1.00 0.00 C ATOM 163 O HIS A 12 9.538 -11.858 -2.768 1.00 0.00 O ATOM 164 CB HIS A 12 10.608 -9.706 -5.216 1.00 0.00 C ATOM 165 CG HIS A 12 10.160 -10.708 -6.243 1.00 0.00 C ATOM 166 ND1 HIS A 12 9.150 -11.633 -6.074 1.00 0.00 N ATOM 167 CD2 HIS A 12 10.581 -10.849 -7.527 1.00 0.00 C ATOM 168 CE1 HIS A 12 9.012 -12.288 -7.248 1.00 0.00 C ATOM 169 NE2 HIS A 12 9.865 -11.852 -8.161 1.00 0.00 N ATOM 0 H HIS A 12 11.363 -12.280 -3.628 1.00 0.00 H new ATOM 0 HA HIS A 12 11.463 -9.443 -3.288 1.00 0.00 H new ATOM 0 HB2 HIS A 12 9.822 -8.959 -5.105 1.00 0.00 H new ATOM 0 HB3 HIS A 12 11.486 -9.190 -5.605 1.00 0.00 H new ATOM 0 HD2 HIS A 12 11.362 -10.263 -7.988 1.00 0.00 H new ATOM 0 HE1 HIS A 12 8.291 -13.074 -7.421 1.00 0.00 H new ATOM 0 HE2 HIS A 12 9.972 -12.182 -9.120 1.00 0.00 H new ATOM 177 N ILE A 13 8.785 -9.739 -2.790 1.00 0.00 N ATOM 178 CA ILE A 13 7.547 -10.030 -2.089 1.00 0.00 C ATOM 179 C ILE A 13 6.354 -9.568 -2.911 1.00 0.00 C ATOM 180 O ILE A 13 6.429 -8.595 -3.667 1.00 0.00 O ATOM 181 CB ILE A 13 7.510 -9.405 -0.690 1.00 0.00 C ATOM 182 CG1 ILE A 13 7.603 -7.861 -0.706 1.00 0.00 C ATOM 183 CG2 ILE A 13 8.650 -10.029 0.148 1.00 0.00 C ATOM 184 CD1 ILE A 13 7.456 -7.223 0.683 1.00 0.00 C ATOM 0 H ILE A 13 8.896 -8.756 -3.040 1.00 0.00 H new ATOM 0 HA ILE A 13 7.495 -11.111 -1.958 1.00 0.00 H new ATOM 0 HB ILE A 13 6.542 -9.625 -0.241 1.00 0.00 H new ATOM 0 HG12 ILE A 13 8.562 -7.567 -1.132 1.00 0.00 H new ATOM 0 HG13 ILE A 13 6.828 -7.465 -1.363 1.00 0.00 H new ATOM 0 HG21 ILE A 13 8.643 -9.598 1.149 1.00 0.00 H new ATOM 0 HG22 ILE A 13 8.504 -11.107 0.216 1.00 0.00 H new ATOM 0 HG23 ILE A 13 9.608 -9.822 -0.329 1.00 0.00 H new ATOM 0 HD11 ILE A 13 7.531 -6.139 0.595 1.00 0.00 H new ATOM 0 HD12 ILE A 13 6.485 -7.486 1.104 1.00 0.00 H new ATOM 0 HD13 ILE A 13 8.247 -7.590 1.337 1.00 0.00 H new ATOM 196 N ASN A 14 5.210 -10.271 -2.798 1.00 0.00 N ATOM 197 CA ASN A 14 3.950 -9.829 -3.367 1.00 0.00 C ATOM 198 C ASN A 14 3.076 -9.210 -2.282 1.00 0.00 C ATOM 199 O ASN A 14 3.155 -9.570 -1.107 1.00 0.00 O ATOM 200 CB ASN A 14 3.153 -10.989 -4.018 1.00 0.00 C ATOM 201 CG ASN A 14 3.894 -11.630 -5.190 1.00 0.00 C ATOM 202 OD1 ASN A 14 3.526 -11.405 -6.348 1.00 0.00 O ATOM 203 ND2 ASN A 14 4.916 -12.467 -4.925 1.00 0.00 N ATOM 0 H ASN A 14 5.148 -11.162 -2.306 1.00 0.00 H new ATOM 0 HA ASN A 14 4.197 -9.100 -4.138 1.00 0.00 H new ATOM 0 HB2 ASN A 14 2.946 -11.749 -3.265 1.00 0.00 H new ATOM 0 HB3 ASN A 14 2.190 -10.613 -4.364 1.00 0.00 H new ATOM 0 HD21 ASN A 14 5.406 -12.932 -5.689 1.00 0.00 H new ATOM 0 HD22 ASN A 14 5.200 -12.636 -3.960 1.00 0.00 H new ATOM 210 N LEU A 15 2.208 -8.254 -2.662 1.00 0.00 N ATOM 211 CA LEU A 15 1.228 -7.649 -1.771 1.00 0.00 C ATOM 212 C LEU A 15 -0.138 -7.715 -2.434 1.00 0.00 C ATOM 213 O LEU A 15 -0.241 -7.536 -3.647 1.00 0.00 O ATOM 214 CB LEU A 15 1.512 -6.153 -1.457 1.00 0.00 C ATOM 215 CG LEU A 15 2.770 -5.859 -0.611 1.00 0.00 C ATOM 216 CD1 LEU A 15 4.064 -5.800 -1.434 1.00 0.00 C ATOM 217 CD2 LEU A 15 2.598 -4.527 0.136 1.00 0.00 C ATOM 0 H LEU A 15 2.176 -7.882 -3.611 1.00 0.00 H new ATOM 0 HA LEU A 15 1.276 -8.206 -0.835 1.00 0.00 H new ATOM 0 HB2 LEU A 15 1.601 -5.616 -2.401 1.00 0.00 H new ATOM 0 HB3 LEU A 15 0.646 -5.742 -0.937 1.00 0.00 H new ATOM 0 HG LEU A 15 2.867 -6.692 0.086 1.00 0.00 H new ATOM 0 HD11 LEU A 15 4.906 -5.590 -0.774 1.00 0.00 H new ATOM 0 HD12 LEU A 15 4.223 -6.757 -1.931 1.00 0.00 H new ATOM 0 HD13 LEU A 15 3.984 -5.011 -2.182 1.00 0.00 H new ATOM 0 HD21 LEU A 15 3.489 -4.326 0.731 1.00 0.00 H new ATOM 0 HD22 LEU A 15 2.453 -3.722 -0.584 1.00 0.00 H new ATOM 0 HD23 LEU A 15 1.730 -4.587 0.792 1.00 0.00 H new ATOM 229 N LYS A 16 -1.215 -7.960 -1.662 1.00 0.00 N ATOM 230 CA LYS A 16 -2.591 -7.905 -2.120 1.00 0.00 C ATOM 231 C LYS A 16 -3.279 -6.672 -1.541 1.00 0.00 C ATOM 232 O LYS A 16 -3.117 -6.340 -0.369 1.00 0.00 O ATOM 233 CB LYS A 16 -3.407 -9.132 -1.627 1.00 0.00 C ATOM 234 CG LYS A 16 -2.814 -10.520 -1.936 1.00 0.00 C ATOM 235 CD LYS A 16 -2.955 -10.938 -3.409 1.00 0.00 C ATOM 236 CE LYS A 16 -2.710 -12.431 -3.676 1.00 0.00 C ATOM 237 NZ LYS A 16 -3.650 -13.241 -2.885 1.00 0.00 N ATOM 0 H LYS A 16 -1.134 -8.208 -0.676 1.00 0.00 H new ATOM 0 HA LYS A 16 -2.561 -7.884 -3.209 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -3.533 -9.047 -0.548 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -4.402 -9.080 -2.069 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -1.758 -10.522 -1.666 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -3.305 -11.263 -1.308 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -3.957 -10.681 -3.752 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -2.254 -10.356 -4.007 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -2.835 -12.645 -4.737 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -1.684 -12.692 -3.417 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -3.762 -14.175 -3.329 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -3.280 -13.359 -1.920 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -4.573 -12.763 -2.846 1.00 0.00 H new ATOM 251 N VAL A 17 -4.091 -5.974 -2.350 1.00 0.00 N ATOM 252 CA VAL A 17 -4.946 -4.885 -1.901 1.00 0.00 C ATOM 253 C VAL A 17 -6.384 -5.333 -2.064 1.00 0.00 C ATOM 254 O VAL A 17 -6.808 -5.695 -3.165 1.00 0.00 O ATOM 255 CB VAL A 17 -4.729 -3.610 -2.711 1.00 0.00 C ATOM 256 CG1 VAL A 17 -5.639 -2.475 -2.196 1.00 0.00 C ATOM 257 CG2 VAL A 17 -3.250 -3.192 -2.617 1.00 0.00 C ATOM 0 H VAL A 17 -4.167 -6.160 -3.350 1.00 0.00 H new ATOM 0 HA VAL A 17 -4.705 -4.656 -0.863 1.00 0.00 H new ATOM 0 HB VAL A 17 -4.986 -3.803 -3.752 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -5.468 -1.575 -2.787 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -6.683 -2.776 -2.286 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -5.410 -2.271 -1.150 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -3.092 -2.281 -3.195 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -2.989 -3.010 -1.574 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -2.621 -3.988 -3.015 1.00 0.00 H new ATOM 267 N LEU A 18 -7.165 -5.336 -0.967 1.00 0.00 N ATOM 268 CA LEU A 18 -8.539 -5.798 -0.957 1.00 0.00 C ATOM 269 C LEU A 18 -9.482 -4.619 -0.776 1.00 0.00 C ATOM 270 O LEU A 18 -9.443 -3.911 0.228 1.00 0.00 O ATOM 271 CB LEU A 18 -8.816 -6.794 0.206 1.00 0.00 C ATOM 272 CG LEU A 18 -8.224 -8.215 0.055 1.00 0.00 C ATOM 273 CD1 LEU A 18 -6.700 -8.275 0.227 1.00 0.00 C ATOM 274 CD2 LEU A 18 -8.875 -9.146 1.089 1.00 0.00 C ATOM 0 H LEU A 18 -6.841 -5.010 -0.056 1.00 0.00 H new ATOM 0 HA LEU A 18 -8.705 -6.301 -1.910 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -8.428 -6.359 1.127 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -9.895 -6.885 0.327 1.00 0.00 H new ATOM 0 HG LEU A 18 -8.440 -8.531 -0.966 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -6.361 -9.304 0.107 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -6.224 -7.646 -0.525 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -6.432 -7.918 1.221 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -8.461 -10.149 0.987 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -8.675 -8.771 2.093 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -9.952 -9.179 0.922 1.00 0.00 H new ATOM 286 N GLY A 19 -10.392 -4.370 -1.733 1.00 0.00 N ATOM 287 CA GLY A 19 -11.394 -3.322 -1.589 1.00 0.00 C ATOM 288 C GLY A 19 -12.650 -3.789 -0.896 1.00 0.00 C ATOM 289 O GLY A 19 -13.125 -4.906 -1.093 1.00 0.00 O ATOM 0 H GLY A 19 -10.447 -4.885 -2.612 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -10.964 -2.493 -1.027 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -11.653 -2.938 -2.576 1.00 0.00 H new ATOM 293 N GLN A 20 -13.277 -2.922 -0.082 1.00 0.00 N ATOM 294 CA GLN A 20 -14.628 -3.114 0.443 1.00 0.00 C ATOM 295 C GLN A 20 -15.667 -2.909 -0.659 1.00 0.00 C ATOM 296 O GLN A 20 -16.734 -3.519 -0.683 1.00 0.00 O ATOM 297 CB GLN A 20 -14.883 -2.128 1.612 1.00 0.00 C ATOM 298 CG GLN A 20 -16.271 -2.231 2.310 1.00 0.00 C ATOM 299 CD GLN A 20 -16.527 -3.454 3.209 1.00 0.00 C ATOM 300 OE1 GLN A 20 -17.649 -3.618 3.702 1.00 0.00 O ATOM 301 NE2 GLN A 20 -15.502 -4.290 3.472 1.00 0.00 N ATOM 0 H GLN A 20 -12.845 -2.053 0.232 1.00 0.00 H new ATOM 0 HA GLN A 20 -14.718 -4.135 0.813 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -14.109 -2.282 2.364 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -14.764 -1.112 1.235 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -16.411 -1.335 2.914 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -17.038 -2.216 1.536 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -14.589 -4.126 3.049 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -15.640 -5.086 4.094 1.00 0.00 H new ATOM 310 N ASP A 21 -15.309 -2.071 -1.647 1.00 0.00 N ATOM 311 CA ASP A 21 -15.916 -1.919 -2.957 1.00 0.00 C ATOM 312 C ASP A 21 -15.937 -3.214 -3.784 1.00 0.00 C ATOM 313 O ASP A 21 -16.817 -3.413 -4.623 1.00 0.00 O ATOM 314 CB ASP A 21 -15.131 -0.801 -3.699 1.00 0.00 C ATOM 315 CG ASP A 21 -13.641 -0.991 -3.502 1.00 0.00 C ATOM 316 OD1 ASP A 21 -13.023 -1.812 -4.223 1.00 0.00 O ATOM 317 OD2 ASP A 21 -13.089 -0.362 -2.559 1.00 0.00 O ATOM 0 H ASP A 21 -14.521 -1.435 -1.528 1.00 0.00 H new ATOM 0 HA ASP A 21 -16.966 -1.656 -2.826 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -15.371 -0.822 -4.762 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -15.433 0.177 -3.324 1.00 0.00 H new ATOM 322 N ASN A 22 -14.967 -4.109 -3.505 1.00 0.00 N ATOM 323 CA ASN A 22 -14.791 -5.458 -4.006 1.00 0.00 C ATOM 324 C ASN A 22 -13.883 -5.522 -5.231 1.00 0.00 C ATOM 325 O ASN A 22 -13.934 -6.475 -6.010 1.00 0.00 O ATOM 326 CB ASN A 22 -16.131 -6.244 -4.156 1.00 0.00 C ATOM 327 CG ASN A 22 -16.016 -7.715 -3.775 1.00 0.00 C ATOM 328 OD1 ASN A 22 -16.546 -8.127 -2.738 1.00 0.00 O ATOM 329 ND2 ASN A 22 -15.334 -8.526 -4.606 1.00 0.00 N ATOM 0 H ASN A 22 -14.219 -3.864 -2.856 1.00 0.00 H new ATOM 0 HA ASN A 22 -14.250 -5.999 -3.229 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -16.891 -5.773 -3.533 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -16.474 -6.169 -5.188 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -15.241 -9.518 -4.388 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -14.910 -8.148 -5.453 1.00 0.00 H new ATOM 336 N ALA A 23 -12.981 -4.534 -5.403 1.00 0.00 N ATOM 337 CA ALA A 23 -11.855 -4.652 -6.308 1.00 0.00 C ATOM 338 C ALA A 23 -10.672 -5.361 -5.641 1.00 0.00 C ATOM 339 O ALA A 23 -10.499 -5.321 -4.422 1.00 0.00 O ATOM 340 CB ALA A 23 -11.425 -3.253 -6.791 1.00 0.00 C ATOM 0 H ALA A 23 -13.026 -3.641 -4.913 1.00 0.00 H new ATOM 0 HA ALA A 23 -12.169 -5.254 -7.161 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -10.578 -3.347 -7.471 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -12.256 -2.776 -7.310 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -11.136 -2.645 -5.934 1.00 0.00 H new ATOM 346 N VAL A 24 -9.826 -6.058 -6.432 1.00 0.00 N ATOM 347 CA VAL A 24 -8.659 -6.765 -5.918 1.00 0.00 C ATOM 348 C VAL A 24 -7.456 -6.424 -6.784 1.00 0.00 C ATOM 349 O VAL A 24 -7.426 -6.707 -7.983 1.00 0.00 O ATOM 350 CB VAL A 24 -8.822 -8.287 -5.867 1.00 0.00 C ATOM 351 CG1 VAL A 24 -7.599 -8.924 -5.170 1.00 0.00 C ATOM 352 CG2 VAL A 24 -10.099 -8.658 -5.086 1.00 0.00 C ATOM 0 H VAL A 24 -9.943 -6.139 -7.442 1.00 0.00 H new ATOM 0 HA VAL A 24 -8.525 -6.435 -4.888 1.00 0.00 H new ATOM 0 HB VAL A 24 -8.899 -8.663 -6.887 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -7.722 -10.007 -5.137 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -6.694 -8.678 -5.726 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -7.517 -8.537 -4.154 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -10.205 -9.742 -5.056 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -10.029 -8.272 -4.069 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -10.967 -8.222 -5.580 1.00 0.00 H new ATOM 362 N VAL A 25 -6.422 -5.791 -6.203 1.00 0.00 N ATOM 363 CA VAL A 25 -5.223 -5.369 -6.921 1.00 0.00 C ATOM 364 C VAL A 25 -4.030 -6.049 -6.267 1.00 0.00 C ATOM 365 O VAL A 25 -4.068 -6.378 -5.084 1.00 0.00 O ATOM 366 CB VAL A 25 -5.079 -3.841 -6.924 1.00 0.00 C ATOM 367 CG1 VAL A 25 -3.831 -3.365 -7.698 1.00 0.00 C ATOM 368 CG2 VAL A 25 -6.338 -3.221 -7.567 1.00 0.00 C ATOM 0 H VAL A 25 -6.402 -5.559 -5.210 1.00 0.00 H new ATOM 0 HA VAL A 25 -5.288 -5.664 -7.968 1.00 0.00 H new ATOM 0 HB VAL A 25 -4.965 -3.518 -5.889 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -3.778 -2.277 -7.668 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -2.936 -3.785 -7.239 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -3.897 -3.697 -8.734 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -6.246 -2.135 -7.574 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -6.440 -3.583 -8.590 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -7.219 -3.507 -6.992 1.00 0.00 H new ATOM 378 N GLN A 26 -2.930 -6.321 -7.000 1.00 0.00 N ATOM 379 CA GLN A 26 -1.757 -6.920 -6.388 1.00 0.00 C ATOM 380 C GLN A 26 -0.451 -6.415 -6.980 1.00 0.00 C ATOM 381 O GLN A 26 -0.336 -6.150 -8.178 1.00 0.00 O ATOM 382 CB GLN A 26 -1.809 -8.465 -6.436 1.00 0.00 C ATOM 383 CG GLN A 26 -1.945 -9.050 -7.855 1.00 0.00 C ATOM 384 CD GLN A 26 -1.715 -10.554 -7.817 1.00 0.00 C ATOM 385 OE1 GLN A 26 -0.572 -11.011 -7.942 1.00 0.00 O ATOM 386 NE2 GLN A 26 -2.794 -11.340 -7.623 1.00 0.00 N ATOM 0 H GLN A 26 -2.843 -6.134 -7.999 1.00 0.00 H new ATOM 0 HA GLN A 26 -1.779 -6.605 -5.345 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -0.904 -8.862 -5.977 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -2.649 -8.808 -5.832 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -2.936 -8.834 -8.254 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -1.224 -8.579 -8.523 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -3.719 -10.921 -7.525 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -2.685 -12.353 -7.574 1.00 0.00 H new ATOM 395 N PHE A 27 0.576 -6.258 -6.123 1.00 0.00 N ATOM 396 CA PHE A 27 1.833 -5.615 -6.467 1.00 0.00 C ATOM 397 C PHE A 27 3.026 -6.543 -6.297 1.00 0.00 C ATOM 398 O PHE A 27 2.973 -7.532 -5.569 1.00 0.00 O ATOM 399 CB PHE A 27 2.076 -4.358 -5.593 1.00 0.00 C ATOM 400 CG PHE A 27 1.012 -3.315 -5.814 1.00 0.00 C ATOM 401 CD1 PHE A 27 0.748 -2.807 -7.098 1.00 0.00 C ATOM 402 CD2 PHE A 27 0.286 -2.805 -4.723 1.00 0.00 C ATOM 403 CE1 PHE A 27 -0.228 -1.822 -7.291 1.00 0.00 C ATOM 404 CE2 PHE A 27 -0.682 -1.811 -4.911 1.00 0.00 C ATOM 405 CZ PHE A 27 -0.942 -1.321 -6.198 1.00 0.00 C ATOM 0 H PHE A 27 0.542 -6.585 -5.157 1.00 0.00 H new ATOM 0 HA PHE A 27 1.745 -5.337 -7.517 1.00 0.00 H new ATOM 0 HB2 PHE A 27 2.094 -4.643 -4.541 1.00 0.00 H new ATOM 0 HB3 PHE A 27 3.054 -3.936 -5.825 1.00 0.00 H new ATOM 0 HD1 PHE A 27 1.304 -3.181 -7.945 1.00 0.00 H new ATOM 0 HD2 PHE A 27 0.477 -3.184 -3.730 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -0.430 -1.449 -8.284 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -1.228 -1.422 -4.064 1.00 0.00 H new ATOM 0 HZ PHE A 27 -1.692 -0.558 -6.345 1.00 0.00 H new ATOM 415 N LYS A 28 4.139 -6.222 -6.997 1.00 0.00 N ATOM 416 CA LYS A 28 5.381 -6.978 -7.001 1.00 0.00 C ATOM 417 C LYS A 28 6.525 -6.046 -6.587 1.00 0.00 C ATOM 418 O LYS A 28 6.803 -5.068 -7.284 1.00 0.00 O ATOM 419 CB LYS A 28 5.693 -7.513 -8.436 1.00 0.00 C ATOM 420 CG LYS A 28 4.502 -8.107 -9.223 1.00 0.00 C ATOM 421 CD LYS A 28 3.896 -9.369 -8.591 1.00 0.00 C ATOM 422 CE LYS A 28 2.651 -9.892 -9.323 1.00 0.00 C ATOM 423 NZ LYS A 28 2.117 -11.068 -8.617 1.00 0.00 N ATOM 0 H LYS A 28 4.182 -5.395 -7.592 1.00 0.00 H new ATOM 0 HA LYS A 28 5.283 -7.817 -6.312 1.00 0.00 H new ATOM 0 HB2 LYS A 28 6.115 -6.696 -9.021 1.00 0.00 H new ATOM 0 HB3 LYS A 28 6.465 -8.279 -8.355 1.00 0.00 H new ATOM 0 HG2 LYS A 28 3.724 -7.348 -9.310 1.00 0.00 H new ATOM 0 HG3 LYS A 28 4.831 -8.343 -10.235 1.00 0.00 H new ATOM 0 HD2 LYS A 28 4.652 -10.154 -8.573 1.00 0.00 H new ATOM 0 HD3 LYS A 28 3.634 -9.155 -7.555 1.00 0.00 H new ATOM 0 HE2 LYS A 28 1.892 -9.111 -9.374 1.00 0.00 H new ATOM 0 HE3 LYS A 28 2.905 -10.157 -10.349 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 2.248 -11.915 -9.206 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 2.622 -11.191 -7.716 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 1.103 -10.930 -8.430 1.00 0.00 H new ATOM 437 N ILE A 29 7.220 -6.280 -5.452 1.00 0.00 N ATOM 438 CA ILE A 29 8.239 -5.335 -4.982 1.00 0.00 C ATOM 439 C ILE A 29 9.443 -6.039 -4.356 1.00 0.00 C ATOM 440 O ILE A 29 9.329 -7.093 -3.731 1.00 0.00 O ATOM 441 CB ILE A 29 7.620 -4.293 -4.041 1.00 0.00 C ATOM 442 CG1 ILE A 29 8.530 -3.067 -3.805 1.00 0.00 C ATOM 443 CG2 ILE A 29 7.190 -4.949 -2.714 1.00 0.00 C ATOM 444 CD1 ILE A 29 7.830 -1.928 -3.055 1.00 0.00 C ATOM 0 H ILE A 29 7.093 -7.100 -4.859 1.00 0.00 H new ATOM 0 HA ILE A 29 8.624 -4.807 -5.854 1.00 0.00 H new ATOM 0 HB ILE A 29 6.731 -3.906 -4.540 1.00 0.00 H new ATOM 0 HG12 ILE A 29 9.409 -3.379 -3.240 1.00 0.00 H new ATOM 0 HG13 ILE A 29 8.884 -2.696 -4.767 1.00 0.00 H new ATOM 0 HG21 ILE A 29 6.753 -4.194 -2.060 1.00 0.00 H new ATOM 0 HG22 ILE A 29 6.452 -5.726 -2.915 1.00 0.00 H new ATOM 0 HG23 ILE A 29 8.060 -5.391 -2.228 1.00 0.00 H new ATOM 0 HD11 ILE A 29 8.525 -1.099 -2.922 1.00 0.00 H new ATOM 0 HD12 ILE A 29 6.967 -1.590 -3.629 1.00 0.00 H new ATOM 0 HD13 ILE A 29 7.500 -2.284 -2.079 1.00 0.00 H new ATOM 456 N LYS A 30 10.676 -5.499 -4.518 1.00 0.00 N ATOM 457 CA LYS A 30 11.850 -6.057 -3.857 1.00 0.00 C ATOM 458 C LYS A 30 11.956 -5.619 -2.402 1.00 0.00 C ATOM 459 O LYS A 30 11.496 -4.552 -2.011 1.00 0.00 O ATOM 460 CB LYS A 30 13.199 -5.685 -4.525 1.00 0.00 C ATOM 461 CG LYS A 30 13.387 -6.161 -5.974 1.00 0.00 C ATOM 462 CD LYS A 30 14.882 -6.394 -6.276 1.00 0.00 C ATOM 463 CE LYS A 30 15.266 -6.408 -7.761 1.00 0.00 C ATOM 464 NZ LYS A 30 15.270 -5.038 -8.308 1.00 0.00 N ATOM 0 H LYS A 30 10.868 -4.683 -5.099 1.00 0.00 H new ATOM 0 HA LYS A 30 11.691 -7.132 -3.941 1.00 0.00 H new ATOM 0 HB2 LYS A 30 13.306 -4.600 -4.503 1.00 0.00 H new ATOM 0 HB3 LYS A 30 14.007 -6.097 -3.920 1.00 0.00 H new ATOM 0 HG2 LYS A 30 12.829 -7.083 -6.135 1.00 0.00 H new ATOM 0 HG3 LYS A 30 12.982 -5.419 -6.662 1.00 0.00 H new ATOM 0 HD2 LYS A 30 15.460 -5.616 -5.777 1.00 0.00 H new ATOM 0 HD3 LYS A 30 15.179 -7.345 -5.834 1.00 0.00 H new ATOM 0 HE2 LYS A 30 16.252 -6.857 -7.883 1.00 0.00 H new ATOM 0 HE3 LYS A 30 14.562 -7.026 -8.319 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 15.532 -5.067 -9.314 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 14.322 -4.622 -8.209 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 15.959 -4.458 -7.787 1.00 0.00 H new ATOM 478 N LYS A 31 12.624 -6.434 -1.564 1.00 0.00 N ATOM 479 CA LYS A 31 12.730 -6.235 -0.126 1.00 0.00 C ATOM 480 C LYS A 31 13.450 -4.947 0.293 1.00 0.00 C ATOM 481 O LYS A 31 13.154 -4.371 1.335 1.00 0.00 O ATOM 482 CB LYS A 31 13.410 -7.480 0.510 1.00 0.00 C ATOM 483 CG LYS A 31 12.640 -8.794 0.250 1.00 0.00 C ATOM 484 CD LYS A 31 13.402 -10.065 0.676 1.00 0.00 C ATOM 485 CE LYS A 31 13.404 -10.366 2.179 1.00 0.00 C ATOM 486 NZ LYS A 31 14.225 -11.556 2.473 1.00 0.00 N ATOM 0 H LYS A 31 13.114 -7.268 -1.888 1.00 0.00 H new ATOM 0 HA LYS A 31 11.713 -6.116 0.247 1.00 0.00 H new ATOM 0 HB2 LYS A 31 14.421 -7.575 0.115 1.00 0.00 H new ATOM 0 HB3 LYS A 31 13.501 -7.327 1.585 1.00 0.00 H new ATOM 0 HG2 LYS A 31 11.690 -8.757 0.783 1.00 0.00 H new ATOM 0 HG3 LYS A 31 12.407 -8.862 -0.813 1.00 0.00 H new ATOM 0 HD2 LYS A 31 12.969 -10.918 0.154 1.00 0.00 H new ATOM 0 HD3 LYS A 31 14.435 -9.977 0.340 1.00 0.00 H new ATOM 0 HE2 LYS A 31 13.792 -9.507 2.726 1.00 0.00 H new ATOM 0 HE3 LYS A 31 12.383 -10.529 2.523 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 13.604 -12.355 2.713 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 14.796 -11.799 1.638 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 14.854 -11.354 3.276 1.00 0.00 H new ATOM 500 N HIS A 32 14.394 -4.441 -0.528 1.00 0.00 N ATOM 501 CA HIS A 32 15.092 -3.190 -0.260 1.00 0.00 C ATOM 502 C HIS A 32 14.328 -1.934 -0.686 1.00 0.00 C ATOM 503 O HIS A 32 14.777 -0.813 -0.443 1.00 0.00 O ATOM 504 CB HIS A 32 16.449 -3.117 -1.010 1.00 0.00 C ATOM 505 CG HIS A 32 17.249 -4.391 -1.047 1.00 0.00 C ATOM 506 ND1 HIS A 32 17.588 -5.000 -2.236 1.00 0.00 N ATOM 507 CD2 HIS A 32 17.922 -5.068 -0.074 1.00 0.00 C ATOM 508 CE1 HIS A 32 18.442 -6.007 -1.940 1.00 0.00 C ATOM 509 NE2 HIS A 32 18.687 -6.077 -0.644 1.00 0.00 N ATOM 0 H HIS A 32 14.686 -4.897 -1.393 1.00 0.00 H new ATOM 0 HA HIS A 32 15.211 -3.201 0.823 1.00 0.00 H new ATOM 0 HB2 HIS A 32 16.259 -2.800 -2.035 1.00 0.00 H new ATOM 0 HB3 HIS A 32 17.058 -2.342 -0.545 1.00 0.00 H new ATOM 0 HD2 HIS A 32 17.868 -4.852 0.983 1.00 0.00 H new ATOM 0 HE1 HIS A 32 18.871 -6.673 -2.674 1.00 0.00 H new ATOM 0 HE2 HIS A 32 19.305 -6.732 -0.165 1.00 0.00 H new ATOM 517 N THR A 33 13.186 -2.069 -1.385 1.00 0.00 N ATOM 518 CA THR A 33 12.471 -0.948 -1.993 1.00 0.00 C ATOM 519 C THR A 33 11.322 -0.515 -1.084 1.00 0.00 C ATOM 520 O THR A 33 10.457 -1.347 -0.809 1.00 0.00 O ATOM 521 CB THR A 33 11.897 -1.302 -3.366 1.00 0.00 C ATOM 522 OG1 THR A 33 12.923 -1.672 -4.286 1.00 0.00 O ATOM 523 CG2 THR A 33 11.153 -0.119 -4.008 1.00 0.00 C ATOM 0 H THR A 33 12.735 -2.971 -1.541 1.00 0.00 H new ATOM 0 HA THR A 33 13.192 -0.141 -2.121 1.00 0.00 H new ATOM 0 HB THR A 33 11.214 -2.131 -3.182 1.00 0.00 H new ATOM 0 HG1 THR A 33 12.521 -1.893 -5.152 1.00 0.00 H new ATOM 0 HG21 THR A 33 10.764 -0.419 -4.981 1.00 0.00 H new ATOM 0 HG22 THR A 33 10.327 0.184 -3.364 1.00 0.00 H new ATOM 0 HG23 THR A 33 11.840 0.718 -4.134 1.00 0.00 H new ATOM 531 N PRO A 34 11.229 0.710 -0.558 1.00 0.00 N ATOM 532 CA PRO A 34 10.210 1.048 0.433 1.00 0.00 C ATOM 533 C PRO A 34 8.838 1.284 -0.185 1.00 0.00 C ATOM 534 O PRO A 34 8.710 1.568 -1.378 1.00 0.00 O ATOM 535 CB PRO A 34 10.766 2.331 1.075 1.00 0.00 C ATOM 536 CG PRO A 34 11.555 3.002 -0.053 1.00 0.00 C ATOM 537 CD PRO A 34 12.176 1.806 -0.777 1.00 0.00 C ATOM 0 HA PRO A 34 10.041 0.240 1.145 1.00 0.00 H new ATOM 0 HB2 PRO A 34 9.965 2.974 1.438 1.00 0.00 H new ATOM 0 HB3 PRO A 34 11.405 2.105 1.929 1.00 0.00 H new ATOM 0 HG2 PRO A 34 10.909 3.584 -0.710 1.00 0.00 H new ATOM 0 HG3 PRO A 34 12.314 3.683 0.332 1.00 0.00 H new ATOM 0 HD2 PRO A 34 12.307 2.010 -1.840 1.00 0.00 H new ATOM 0 HD3 PRO A 34 13.160 1.566 -0.375 1.00 0.00 H new ATOM 545 N LEU A 35 7.777 1.187 0.639 1.00 0.00 N ATOM 546 CA LEU A 35 6.393 1.196 0.200 1.00 0.00 C ATOM 547 C LEU A 35 5.929 2.586 -0.215 1.00 0.00 C ATOM 548 O LEU A 35 5.128 2.751 -1.132 1.00 0.00 O ATOM 549 CB LEU A 35 5.439 0.653 1.299 1.00 0.00 C ATOM 550 CG LEU A 35 5.664 -0.805 1.779 1.00 0.00 C ATOM 551 CD1 LEU A 35 5.758 -1.809 0.619 1.00 0.00 C ATOM 552 CD2 LEU A 35 6.851 -0.971 2.746 1.00 0.00 C ATOM 0 H LEU A 35 7.875 1.099 1.650 1.00 0.00 H new ATOM 0 HA LEU A 35 6.353 0.540 -0.669 1.00 0.00 H new ATOM 0 HB2 LEU A 35 5.515 1.309 2.166 1.00 0.00 H new ATOM 0 HB3 LEU A 35 4.417 0.732 0.928 1.00 0.00 H new ATOM 0 HG LEU A 35 4.765 -1.039 2.350 1.00 0.00 H new ATOM 0 HD11 LEU A 35 5.916 -2.811 1.017 1.00 0.00 H new ATOM 0 HD12 LEU A 35 4.832 -1.788 0.044 1.00 0.00 H new ATOM 0 HD13 LEU A 35 6.593 -1.540 -0.028 1.00 0.00 H new ATOM 0 HD21 LEU A 35 6.941 -2.018 3.035 1.00 0.00 H new ATOM 0 HD22 LEU A 35 7.769 -0.650 2.254 1.00 0.00 H new ATOM 0 HD23 LEU A 35 6.684 -0.363 3.635 1.00 0.00 H new ATOM 564 N ARG A 36 6.461 3.639 0.437 1.00 0.00 N ATOM 565 CA ARG A 36 6.232 5.048 0.144 1.00 0.00 C ATOM 566 C ARG A 36 6.357 5.423 -1.324 1.00 0.00 C ATOM 567 O ARG A 36 5.512 6.123 -1.884 1.00 0.00 O ATOM 568 CB ARG A 36 7.233 5.907 0.959 1.00 0.00 C ATOM 569 CG ARG A 36 7.021 7.435 0.885 1.00 0.00 C ATOM 570 CD ARG A 36 5.715 7.895 1.536 1.00 0.00 C ATOM 571 NE ARG A 36 5.708 9.390 1.480 1.00 0.00 N ATOM 572 CZ ARG A 36 5.239 10.160 2.469 1.00 0.00 C ATOM 573 NH1 ARG A 36 4.553 9.664 3.490 1.00 0.00 N ATOM 574 NH2 ARG A 36 5.450 11.469 2.440 1.00 0.00 N ATOM 0 H ARG A 36 7.096 3.510 1.225 1.00 0.00 H new ATOM 0 HA ARG A 36 5.197 5.242 0.424 1.00 0.00 H new ATOM 0 HB2 ARG A 36 7.178 5.602 2.004 1.00 0.00 H new ATOM 0 HB3 ARG A 36 8.242 5.682 0.613 1.00 0.00 H new ATOM 0 HG2 ARG A 36 7.858 7.935 1.372 1.00 0.00 H new ATOM 0 HG3 ARG A 36 7.028 7.746 -0.160 1.00 0.00 H new ATOM 0 HD2 ARG A 36 4.854 7.484 1.008 1.00 0.00 H new ATOM 0 HD3 ARG A 36 5.653 7.546 2.567 1.00 0.00 H new ATOM 0 HE ARG A 36 6.079 9.845 0.646 1.00 0.00 H new ATOM 0 HH11 ARG A 36 4.366 8.663 3.541 1.00 0.00 H new ATOM 0 HH12 ARG A 36 4.212 10.284 4.225 1.00 0.00 H new ATOM 0 HH21 ARG A 36 5.968 11.885 1.666 1.00 0.00 H new ATOM 0 HH22 ARG A 36 5.094 12.060 3.192 1.00 0.00 H new ATOM 588 N LYS A 37 7.410 4.923 -2.002 1.00 0.00 N ATOM 589 CA LYS A 37 7.616 5.177 -3.412 1.00 0.00 C ATOM 590 C LYS A 37 6.554 4.526 -4.284 1.00 0.00 C ATOM 591 O LYS A 37 6.081 5.131 -5.240 1.00 0.00 O ATOM 592 CB LYS A 37 9.022 4.730 -3.874 1.00 0.00 C ATOM 593 CG LYS A 37 9.377 5.067 -5.339 1.00 0.00 C ATOM 594 CD LYS A 37 9.512 6.578 -5.638 1.00 0.00 C ATOM 595 CE LYS A 37 8.258 7.294 -6.165 1.00 0.00 C ATOM 596 NZ LYS A 37 8.527 8.717 -6.456 1.00 0.00 N ATOM 0 H LYS A 37 8.128 4.337 -1.576 1.00 0.00 H new ATOM 0 HA LYS A 37 7.533 6.257 -3.535 1.00 0.00 H new ATOM 0 HB2 LYS A 37 9.764 5.192 -3.223 1.00 0.00 H new ATOM 0 HB3 LYS A 37 9.105 3.652 -3.737 1.00 0.00 H new ATOM 0 HG2 LYS A 37 10.315 4.574 -5.594 1.00 0.00 H new ATOM 0 HG3 LYS A 37 8.610 4.648 -5.990 1.00 0.00 H new ATOM 0 HD2 LYS A 37 9.830 7.078 -4.723 1.00 0.00 H new ATOM 0 HD3 LYS A 37 10.311 6.710 -6.368 1.00 0.00 H new ATOM 0 HE2 LYS A 37 7.907 6.797 -7.069 1.00 0.00 H new ATOM 0 HE3 LYS A 37 7.458 7.217 -5.429 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 7.660 9.169 -6.809 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 8.838 9.196 -5.587 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 9.273 8.789 -7.177 1.00 0.00 H new ATOM 610 N LEU A 38 6.106 3.298 -3.954 1.00 0.00 N ATOM 611 CA LEU A 38 5.010 2.639 -4.648 1.00 0.00 C ATOM 612 C LEU A 38 3.705 3.411 -4.498 1.00 0.00 C ATOM 613 O LEU A 38 3.024 3.702 -5.481 1.00 0.00 O ATOM 614 CB LEU A 38 4.877 1.170 -4.165 1.00 0.00 C ATOM 615 CG LEU A 38 3.903 0.290 -4.983 1.00 0.00 C ATOM 616 CD1 LEU A 38 4.380 -1.169 -4.996 1.00 0.00 C ATOM 617 CD2 LEU A 38 2.459 0.338 -4.458 1.00 0.00 C ATOM 0 H LEU A 38 6.503 2.744 -3.195 1.00 0.00 H new ATOM 0 HA LEU A 38 5.237 2.623 -5.714 1.00 0.00 H new ATOM 0 HB2 LEU A 38 5.864 0.707 -4.186 1.00 0.00 H new ATOM 0 HB3 LEU A 38 4.550 1.175 -3.125 1.00 0.00 H new ATOM 0 HG LEU A 38 3.902 0.700 -5.993 1.00 0.00 H new ATOM 0 HD11 LEU A 38 3.683 -1.774 -5.576 1.00 0.00 H new ATOM 0 HD12 LEU A 38 5.371 -1.224 -5.447 1.00 0.00 H new ATOM 0 HD13 LEU A 38 4.425 -1.546 -3.974 1.00 0.00 H new ATOM 0 HD21 LEU A 38 1.826 -0.300 -5.075 1.00 0.00 H new ATOM 0 HD22 LEU A 38 2.435 -0.015 -3.427 1.00 0.00 H new ATOM 0 HD23 LEU A 38 2.091 1.363 -4.499 1.00 0.00 H new ATOM 629 N MET A 39 3.364 3.821 -3.257 1.00 0.00 N ATOM 630 CA MET A 39 2.225 4.676 -2.959 1.00 0.00 C ATOM 631 C MET A 39 2.229 5.988 -3.738 1.00 0.00 C ATOM 632 O MET A 39 1.304 6.272 -4.493 1.00 0.00 O ATOM 633 CB MET A 39 2.139 4.983 -1.440 1.00 0.00 C ATOM 634 CG MET A 39 1.823 3.750 -0.570 1.00 0.00 C ATOM 635 SD MET A 39 0.223 2.955 -0.926 1.00 0.00 S ATOM 636 CE MET A 39 -0.853 4.265 -0.269 1.00 0.00 C ATOM 0 H MET A 39 3.892 3.554 -2.426 1.00 0.00 H new ATOM 0 HA MET A 39 1.348 4.111 -3.275 1.00 0.00 H new ATOM 0 HB2 MET A 39 3.085 5.414 -1.112 1.00 0.00 H new ATOM 0 HB3 MET A 39 1.371 5.738 -1.275 1.00 0.00 H new ATOM 0 HG2 MET A 39 2.616 3.015 -0.705 1.00 0.00 H new ATOM 0 HG3 MET A 39 1.839 4.048 0.478 1.00 0.00 H new ATOM 0 HE1 MET A 39 -1.868 3.882 -0.159 1.00 0.00 H new ATOM 0 HE2 MET A 39 -0.480 4.589 0.703 1.00 0.00 H new ATOM 0 HE3 MET A 39 -0.857 5.111 -0.956 1.00 0.00 H new ATOM 646 N ASN A 40 3.293 6.811 -3.612 1.00 0.00 N ATOM 647 CA ASN A 40 3.387 8.073 -4.333 1.00 0.00 C ATOM 648 C ASN A 40 3.433 7.911 -5.853 1.00 0.00 C ATOM 649 O ASN A 40 2.843 8.706 -6.576 1.00 0.00 O ATOM 650 CB ASN A 40 4.606 8.922 -3.883 1.00 0.00 C ATOM 651 CG ASN A 40 4.542 9.359 -2.420 1.00 0.00 C ATOM 652 OD1 ASN A 40 5.573 9.430 -1.746 1.00 0.00 O ATOM 653 ND2 ASN A 40 3.348 9.730 -1.914 1.00 0.00 N ATOM 0 H ASN A 40 4.094 6.612 -3.013 1.00 0.00 H new ATOM 0 HA ASN A 40 2.465 8.595 -4.076 1.00 0.00 H new ATOM 0 HB2 ASN A 40 5.518 8.346 -4.042 1.00 0.00 H new ATOM 0 HB3 ASN A 40 4.674 9.807 -4.515 1.00 0.00 H new ATOM 0 HD21 ASN A 40 3.285 10.077 -0.957 1.00 0.00 H new ATOM 0 HD22 ASN A 40 2.508 9.663 -2.488 1.00 0.00 H new ATOM 660 N ALA A 41 4.086 6.857 -6.386 1.00 0.00 N ATOM 661 CA ALA A 41 4.090 6.574 -7.811 1.00 0.00 C ATOM 662 C ALA A 41 2.707 6.272 -8.377 1.00 0.00 C ATOM 663 O ALA A 41 2.311 6.824 -9.401 1.00 0.00 O ATOM 664 CB ALA A 41 5.029 5.394 -8.123 1.00 0.00 C ATOM 0 H ALA A 41 4.620 6.188 -5.831 1.00 0.00 H new ATOM 0 HA ALA A 41 4.445 7.485 -8.293 1.00 0.00 H new ATOM 0 HB1 ALA A 41 5.020 5.195 -9.195 1.00 0.00 H new ATOM 0 HB2 ALA A 41 6.043 5.643 -7.808 1.00 0.00 H new ATOM 0 HB3 ALA A 41 4.690 4.508 -7.587 1.00 0.00 H new ATOM 670 N TYR A 42 1.912 5.411 -7.712 1.00 0.00 N ATOM 671 CA TYR A 42 0.541 5.148 -8.125 1.00 0.00 C ATOM 672 C TYR A 42 -0.381 6.350 -7.939 1.00 0.00 C ATOM 673 O TYR A 42 -1.232 6.603 -8.791 1.00 0.00 O ATOM 674 CB TYR A 42 -0.032 3.866 -7.460 1.00 0.00 C ATOM 675 CG TYR A 42 0.369 2.676 -8.294 1.00 0.00 C ATOM 676 CD1 TYR A 42 -0.330 2.409 -9.484 1.00 0.00 C ATOM 677 CD2 TYR A 42 1.461 1.861 -7.954 1.00 0.00 C ATOM 678 CE1 TYR A 42 0.064 1.361 -10.327 1.00 0.00 C ATOM 679 CE2 TYR A 42 1.861 0.812 -8.798 1.00 0.00 C ATOM 680 CZ TYR A 42 1.165 0.570 -9.989 1.00 0.00 C ATOM 681 OH TYR A 42 1.610 -0.416 -10.893 1.00 0.00 O ATOM 0 H TYR A 42 2.207 4.890 -6.886 1.00 0.00 H new ATOM 0 HA TYR A 42 0.581 4.964 -9.199 1.00 0.00 H new ATOM 0 HB2 TYR A 42 0.350 3.763 -6.444 1.00 0.00 H new ATOM 0 HB3 TYR A 42 -1.118 3.929 -7.388 1.00 0.00 H new ATOM 0 HD1 TYR A 42 -1.180 3.018 -9.752 1.00 0.00 H new ATOM 0 HD2 TYR A 42 1.998 2.043 -7.035 1.00 0.00 H new ATOM 0 HE1 TYR A 42 -0.483 1.165 -11.237 1.00 0.00 H new ATOM 0 HE2 TYR A 42 2.704 0.193 -8.529 1.00 0.00 H new ATOM 0 HH TYR A 42 2.385 -0.881 -10.514 1.00 0.00 H new ATOM 691 N CYS A 43 -0.196 7.172 -6.883 1.00 0.00 N ATOM 692 CA CYS A 43 -0.849 8.474 -6.773 1.00 0.00 C ATOM 693 C CYS A 43 -0.545 9.408 -7.942 1.00 0.00 C ATOM 694 O CYS A 43 -1.462 9.903 -8.587 1.00 0.00 O ATOM 695 CB CYS A 43 -0.479 9.232 -5.474 1.00 0.00 C ATOM 696 SG CYS A 43 -1.054 8.417 -3.951 1.00 0.00 S ATOM 0 H CYS A 43 0.408 6.944 -6.093 1.00 0.00 H new ATOM 0 HA CYS A 43 -1.910 8.223 -6.770 1.00 0.00 H new ATOM 0 HB2 CYS A 43 0.604 9.344 -5.427 1.00 0.00 H new ATOM 0 HB3 CYS A 43 -0.902 10.236 -5.518 1.00 0.00 H new ATOM 0 HG CYS A 43 -0.325 7.366 -3.720 1.00 0.00 H new ATOM 702 N ASP A 44 0.741 9.652 -8.266 1.00 0.00 N ATOM 703 CA ASP A 44 1.151 10.532 -9.353 1.00 0.00 C ATOM 704 C ASP A 44 0.790 10.012 -10.751 1.00 0.00 C ATOM 705 O ASP A 44 0.588 10.786 -11.687 1.00 0.00 O ATOM 706 CB ASP A 44 2.678 10.810 -9.273 1.00 0.00 C ATOM 707 CG ASP A 44 3.014 11.646 -8.061 1.00 0.00 C ATOM 708 OD1 ASP A 44 2.203 12.533 -7.684 1.00 0.00 O ATOM 709 OD2 ASP A 44 4.119 11.470 -7.478 1.00 0.00 O ATOM 0 H ASP A 44 1.526 9.233 -7.767 1.00 0.00 H new ATOM 0 HA ASP A 44 0.588 11.455 -9.216 1.00 0.00 H new ATOM 0 HB2 ASP A 44 3.221 9.866 -9.230 1.00 0.00 H new ATOM 0 HB3 ASP A 44 3.005 11.325 -10.176 1.00 0.00 H new ATOM 714 N ARG A 45 0.690 8.682 -10.940 1.00 0.00 N ATOM 715 CA ARG A 45 0.205 8.071 -12.169 1.00 0.00 C ATOM 716 C ARG A 45 -1.306 8.163 -12.344 1.00 0.00 C ATOM 717 O ARG A 45 -1.788 8.476 -13.434 1.00 0.00 O ATOM 718 CB ARG A 45 0.644 6.588 -12.255 1.00 0.00 C ATOM 719 CG ARG A 45 2.136 6.464 -12.617 1.00 0.00 C ATOM 720 CD ARG A 45 2.700 5.042 -12.568 1.00 0.00 C ATOM 721 NE ARG A 45 4.090 5.154 -13.132 1.00 0.00 N ATOM 722 CZ ARG A 45 4.514 4.309 -14.082 1.00 0.00 C ATOM 723 NH1 ARG A 45 4.140 3.037 -14.078 1.00 0.00 N ATOM 724 NH2 ARG A 45 5.345 4.721 -15.032 1.00 0.00 N ATOM 0 H ARG A 45 0.950 8.002 -10.226 1.00 0.00 H new ATOM 0 HA ARG A 45 0.656 8.645 -12.979 1.00 0.00 H new ATOM 0 HB2 ARG A 45 0.457 6.096 -11.301 1.00 0.00 H new ATOM 0 HB3 ARG A 45 0.042 6.072 -13.003 1.00 0.00 H new ATOM 0 HG2 ARG A 45 2.285 6.863 -13.620 1.00 0.00 H new ATOM 0 HG3 ARG A 45 2.712 7.090 -11.936 1.00 0.00 H new ATOM 0 HD2 ARG A 45 2.718 4.660 -11.547 1.00 0.00 H new ATOM 0 HD3 ARG A 45 2.090 4.355 -13.155 1.00 0.00 H new ATOM 0 HE ARG A 45 4.717 5.881 -12.788 1.00 0.00 H new ATOM 0 HH11 ARG A 45 3.521 2.690 -13.345 1.00 0.00 H new ATOM 0 HH12 ARG A 45 4.471 2.406 -14.808 1.00 0.00 H new ATOM 0 HH21 ARG A 45 5.667 5.689 -15.043 1.00 0.00 H new ATOM 0 HH22 ARG A 45 5.662 4.070 -15.750 1.00 0.00 H new ATOM 738 N ALA A 46 -2.090 7.871 -11.289 1.00 0.00 N ATOM 739 CA ALA A 46 -3.538 7.887 -11.346 1.00 0.00 C ATOM 740 C ALA A 46 -4.143 9.277 -11.170 1.00 0.00 C ATOM 741 O ALA A 46 -5.010 9.693 -11.936 1.00 0.00 O ATOM 742 CB ALA A 46 -4.093 6.939 -10.265 1.00 0.00 C ATOM 0 H ALA A 46 -1.720 7.617 -10.373 1.00 0.00 H new ATOM 0 HA ALA A 46 -3.821 7.555 -12.345 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -5.182 6.945 -10.301 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -3.729 5.928 -10.446 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -3.760 7.273 -9.282 1.00 0.00 H new ATOM 748 N GLY A 47 -3.707 10.034 -10.141 1.00 0.00 N ATOM 749 CA GLY A 47 -4.236 11.350 -9.790 1.00 0.00 C ATOM 750 C GLY A 47 -5.254 11.323 -8.685 1.00 0.00 C ATOM 751 O GLY A 47 -5.975 12.296 -8.458 1.00 0.00 O ATOM 0 H GLY A 47 -2.957 9.730 -9.520 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -3.409 11.996 -9.493 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -4.687 11.797 -10.676 1.00 0.00 H new ATOM 755 N LEU A 48 -5.324 10.193 -7.964 1.00 0.00 N ATOM 756 CA LEU A 48 -6.210 9.967 -6.838 1.00 0.00 C ATOM 757 C LEU A 48 -5.752 10.691 -5.572 1.00 0.00 C ATOM 758 O LEU A 48 -4.883 11.564 -5.593 1.00 0.00 O ATOM 759 CB LEU A 48 -6.430 8.439 -6.626 1.00 0.00 C ATOM 760 CG LEU A 48 -5.168 7.559 -6.442 1.00 0.00 C ATOM 761 CD1 LEU A 48 -4.537 7.648 -5.044 1.00 0.00 C ATOM 762 CD2 LEU A 48 -5.514 6.092 -6.740 1.00 0.00 C ATOM 0 H LEU A 48 -4.735 9.385 -8.168 1.00 0.00 H new ATOM 0 HA LEU A 48 -7.178 10.409 -7.075 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -7.064 8.308 -5.749 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -6.987 8.056 -7.482 1.00 0.00 H new ATOM 0 HG LEU A 48 -4.429 7.946 -7.144 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -3.660 7.003 -4.999 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -4.241 8.678 -4.843 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -5.262 7.327 -4.296 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -4.625 5.475 -6.610 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -6.293 5.756 -6.055 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -5.870 6.003 -7.766 1.00 0.00 H new ATOM 774 N SER A 49 -6.354 10.400 -4.405 1.00 0.00 N ATOM 775 CA SER A 49 -5.975 11.097 -3.183 1.00 0.00 C ATOM 776 C SER A 49 -6.225 10.226 -1.978 1.00 0.00 C ATOM 777 O SER A 49 -7.055 9.323 -1.993 1.00 0.00 O ATOM 778 CB SER A 49 -6.725 12.441 -2.981 1.00 0.00 C ATOM 779 OG SER A 49 -6.568 13.276 -4.129 1.00 0.00 O ATOM 0 H SER A 49 -7.088 9.701 -4.292 1.00 0.00 H new ATOM 0 HA SER A 49 -4.913 11.319 -3.289 1.00 0.00 H new ATOM 0 HB2 SER A 49 -7.784 12.251 -2.804 1.00 0.00 H new ATOM 0 HB3 SER A 49 -6.340 12.950 -2.098 1.00 0.00 H new ATOM 0 HG SER A 49 -7.047 14.119 -3.988 1.00 0.00 H new ATOM 785 N MET A 50 -5.512 10.487 -0.868 1.00 0.00 N ATOM 786 CA MET A 50 -5.578 9.696 0.345 1.00 0.00 C ATOM 787 C MET A 50 -6.904 9.853 1.077 1.00 0.00 C ATOM 788 O MET A 50 -7.434 8.905 1.648 1.00 0.00 O ATOM 789 CB MET A 50 -4.400 10.078 1.275 1.00 0.00 C ATOM 790 CG MET A 50 -4.062 9.061 2.388 1.00 0.00 C ATOM 791 SD MET A 50 -2.884 7.752 1.910 1.00 0.00 S ATOM 792 CE MET A 50 -4.025 6.591 1.105 1.00 0.00 C ATOM 0 H MET A 50 -4.865 11.272 -0.801 1.00 0.00 H new ATOM 0 HA MET A 50 -5.502 8.647 0.059 1.00 0.00 H new ATOM 0 HB2 MET A 50 -3.511 10.225 0.662 1.00 0.00 H new ATOM 0 HB3 MET A 50 -4.627 11.036 1.742 1.00 0.00 H new ATOM 0 HG2 MET A 50 -3.653 9.602 3.241 1.00 0.00 H new ATOM 0 HG3 MET A 50 -4.987 8.591 2.722 1.00 0.00 H new ATOM 0 HE1 MET A 50 -3.692 5.569 1.286 1.00 0.00 H new ATOM 0 HE2 MET A 50 -5.027 6.723 1.513 1.00 0.00 H new ATOM 0 HE3 MET A 50 -4.042 6.783 0.032 1.00 0.00 H new ATOM 802 N GLN A 51 -7.513 11.055 1.040 1.00 0.00 N ATOM 803 CA GLN A 51 -8.788 11.350 1.691 1.00 0.00 C ATOM 804 C GLN A 51 -10.022 10.604 1.157 1.00 0.00 C ATOM 805 O GLN A 51 -11.092 10.655 1.760 1.00 0.00 O ATOM 806 CB GLN A 51 -9.068 12.876 1.652 1.00 0.00 C ATOM 807 CG GLN A 51 -7.991 13.750 2.348 1.00 0.00 C ATOM 808 CD GLN A 51 -7.895 13.485 3.851 1.00 0.00 C ATOM 809 OE1 GLN A 51 -8.898 13.469 4.571 1.00 0.00 O ATOM 810 NE2 GLN A 51 -6.656 13.307 4.355 1.00 0.00 N ATOM 0 H GLN A 51 -7.119 11.856 0.546 1.00 0.00 H new ATOM 0 HA GLN A 51 -8.650 10.982 2.708 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -9.154 13.189 0.612 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -10.032 13.067 2.123 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -7.022 13.560 1.887 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -8.221 14.803 2.183 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -5.846 13.325 3.735 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -6.530 13.154 5.356 1.00 0.00 H new ATOM 819 N VAL A 52 -9.917 9.874 0.023 1.00 0.00 N ATOM 820 CA VAL A 52 -10.978 8.991 -0.461 1.00 0.00 C ATOM 821 C VAL A 52 -10.610 7.516 -0.304 1.00 0.00 C ATOM 822 O VAL A 52 -11.427 6.625 -0.539 1.00 0.00 O ATOM 823 CB VAL A 52 -11.389 9.275 -1.906 1.00 0.00 C ATOM 824 CG1 VAL A 52 -12.016 10.683 -1.973 1.00 0.00 C ATOM 825 CG2 VAL A 52 -10.204 9.153 -2.883 1.00 0.00 C ATOM 0 H VAL A 52 -9.091 9.888 -0.575 1.00 0.00 H new ATOM 0 HA VAL A 52 -11.839 9.208 0.171 1.00 0.00 H new ATOM 0 HB VAL A 52 -12.119 8.527 -2.215 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -12.314 10.900 -2.999 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -12.891 10.723 -1.324 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -11.286 11.422 -1.643 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -10.545 9.364 -3.897 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -9.429 9.867 -2.605 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -9.799 8.142 -2.839 1.00 0.00 H new ATOM 835 N VAL A 53 -9.365 7.217 0.120 1.00 0.00 N ATOM 836 CA VAL A 53 -8.851 5.870 0.328 1.00 0.00 C ATOM 837 C VAL A 53 -8.673 5.657 1.819 1.00 0.00 C ATOM 838 O VAL A 53 -7.757 6.189 2.442 1.00 0.00 O ATOM 839 CB VAL A 53 -7.499 5.674 -0.363 1.00 0.00 C ATOM 840 CG1 VAL A 53 -6.916 4.271 -0.093 1.00 0.00 C ATOM 841 CG2 VAL A 53 -7.661 5.877 -1.883 1.00 0.00 C ATOM 0 H VAL A 53 -8.676 7.939 0.331 1.00 0.00 H new ATOM 0 HA VAL A 53 -9.556 5.155 -0.096 1.00 0.00 H new ATOM 0 HB VAL A 53 -6.807 6.411 0.045 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -5.957 4.172 -0.601 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -6.775 4.136 0.979 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -7.604 3.513 -0.467 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -6.698 5.737 -2.373 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -8.375 5.152 -2.273 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -8.025 6.886 -2.079 1.00 0.00 H new ATOM 851 N ARG A 54 -9.564 4.908 2.490 1.00 0.00 N ATOM 852 CA ARG A 54 -9.389 4.594 3.904 1.00 0.00 C ATOM 853 C ARG A 54 -8.749 3.221 4.017 1.00 0.00 C ATOM 854 O ARG A 54 -9.388 2.199 3.788 1.00 0.00 O ATOM 855 CB ARG A 54 -10.732 4.677 4.677 1.00 0.00 C ATOM 856 CG ARG A 54 -11.120 6.077 5.223 1.00 0.00 C ATOM 857 CD ARG A 54 -11.263 7.228 4.210 1.00 0.00 C ATOM 858 NE ARG A 54 -9.897 7.762 3.888 1.00 0.00 N ATOM 859 CZ ARG A 54 -9.174 8.543 4.693 1.00 0.00 C ATOM 860 NH1 ARG A 54 -9.655 9.152 5.763 1.00 0.00 N ATOM 861 NH2 ARG A 54 -7.890 8.726 4.411 1.00 0.00 N ATOM 0 H ARG A 54 -10.407 4.514 2.072 1.00 0.00 H new ATOM 0 HA ARG A 54 -8.733 5.332 4.365 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -11.529 4.333 4.018 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -10.689 3.982 5.515 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -12.067 5.979 5.754 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -10.371 6.369 5.959 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -11.753 6.874 3.303 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -11.890 8.019 4.623 1.00 0.00 H new ATOM 0 HE ARG A 54 -9.492 7.509 2.987 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -10.636 9.038 6.017 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -9.045 9.736 6.335 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -7.478 8.274 3.595 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -7.316 9.318 5.011 1.00 0.00 H new ATOM 875 N PHE A 55 -7.442 3.182 4.326 1.00 0.00 N ATOM 876 CA PHE A 55 -6.630 1.977 4.313 1.00 0.00 C ATOM 877 C PHE A 55 -6.325 1.495 5.728 1.00 0.00 C ATOM 878 O PHE A 55 -6.026 2.295 6.615 1.00 0.00 O ATOM 879 CB PHE A 55 -5.314 2.185 3.492 1.00 0.00 C ATOM 880 CG PHE A 55 -4.369 3.217 4.079 1.00 0.00 C ATOM 881 CD1 PHE A 55 -4.646 4.595 4.009 1.00 0.00 C ATOM 882 CD2 PHE A 55 -3.181 2.803 4.709 1.00 0.00 C ATOM 883 CE1 PHE A 55 -3.776 5.530 4.587 1.00 0.00 C ATOM 884 CE2 PHE A 55 -2.293 3.738 5.261 1.00 0.00 C ATOM 885 CZ PHE A 55 -2.597 5.103 5.203 1.00 0.00 C ATOM 0 H PHE A 55 -6.918 4.014 4.597 1.00 0.00 H new ATOM 0 HA PHE A 55 -7.210 1.199 3.817 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -4.791 1.231 3.418 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -5.576 2.485 2.477 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -5.538 4.936 3.505 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -2.949 1.750 4.768 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -4.018 6.582 4.556 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -1.378 3.406 5.729 1.00 0.00 H new ATOM 0 HZ PHE A 55 -1.920 5.826 5.634 1.00 0.00 H new ATOM 895 N ARG A 56 -6.389 0.176 5.983 1.00 0.00 N ATOM 896 CA ARG A 56 -6.014 -0.375 7.273 1.00 0.00 C ATOM 897 C ARG A 56 -5.308 -1.716 7.122 1.00 0.00 C ATOM 898 O ARG A 56 -5.641 -2.529 6.263 1.00 0.00 O ATOM 899 CB ARG A 56 -7.248 -0.621 8.180 1.00 0.00 C ATOM 900 CG ARG A 56 -7.973 0.648 8.684 1.00 0.00 C ATOM 901 CD ARG A 56 -9.140 0.402 9.658 1.00 0.00 C ATOM 902 NE ARG A 56 -10.319 -0.130 8.896 1.00 0.00 N ATOM 903 CZ ARG A 56 -10.590 -1.419 8.663 1.00 0.00 C ATOM 904 NH1 ARG A 56 -9.759 -2.383 9.025 1.00 0.00 N ATOM 905 NH2 ARG A 56 -11.679 -1.733 7.975 1.00 0.00 N ATOM 0 H ARG A 56 -6.699 -0.519 5.304 1.00 0.00 H new ATOM 0 HA ARG A 56 -5.352 0.364 7.724 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -7.964 -1.232 7.630 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -6.930 -1.203 9.045 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -7.243 1.292 9.174 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -8.352 1.196 7.821 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -8.841 -0.307 10.430 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -9.408 1.329 10.164 1.00 0.00 H new ATOM 0 HE ARG A 56 -10.975 0.555 8.521 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -8.884 -2.152 9.496 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -9.993 -3.357 8.834 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -12.296 -0.996 7.632 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -11.900 -2.711 7.789 1.00 0.00 H new ATOM 919 N PHE A 57 -4.337 -1.989 8.014 1.00 0.00 N ATOM 920 CA PHE A 57 -3.687 -3.279 8.166 1.00 0.00 C ATOM 921 C PHE A 57 -4.127 -3.828 9.517 1.00 0.00 C ATOM 922 O PHE A 57 -3.992 -3.151 10.531 1.00 0.00 O ATOM 923 CB PHE A 57 -2.138 -3.117 8.114 1.00 0.00 C ATOM 924 CG PHE A 57 -1.429 -4.421 8.379 1.00 0.00 C ATOM 925 CD1 PHE A 57 -1.234 -5.349 7.348 1.00 0.00 C ATOM 926 CD2 PHE A 57 -1.016 -4.751 9.682 1.00 0.00 C ATOM 927 CE1 PHE A 57 -0.663 -6.600 7.616 1.00 0.00 C ATOM 928 CE2 PHE A 57 -0.451 -6.003 9.956 1.00 0.00 C ATOM 929 CZ PHE A 57 -0.281 -6.930 8.921 1.00 0.00 C ATOM 0 H PHE A 57 -3.981 -1.287 8.663 1.00 0.00 H new ATOM 0 HA PHE A 57 -3.964 -3.959 7.360 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -1.845 -2.736 7.135 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -1.825 -2.377 8.851 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -1.526 -5.098 6.339 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -1.136 -4.032 10.479 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -0.518 -7.310 6.815 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -0.148 -6.252 10.962 1.00 0.00 H new ATOM 0 HZ PHE A 57 0.145 -7.900 9.130 1.00 0.00 H new ATOM 939 N ASP A 58 -4.686 -5.058 9.572 1.00 0.00 N ATOM 940 CA ASP A 58 -5.121 -5.718 10.803 1.00 0.00 C ATOM 941 C ASP A 58 -6.016 -4.846 11.710 1.00 0.00 C ATOM 942 O ASP A 58 -5.886 -4.801 12.933 1.00 0.00 O ATOM 943 CB ASP A 58 -3.867 -6.311 11.523 1.00 0.00 C ATOM 944 CG ASP A 58 -4.218 -7.237 12.661 1.00 0.00 C ATOM 945 OD1 ASP A 58 -5.200 -8.011 12.532 1.00 0.00 O ATOM 946 OD2 ASP A 58 -3.531 -7.200 13.715 1.00 0.00 O ATOM 0 H ASP A 58 -4.846 -5.624 8.738 1.00 0.00 H new ATOM 0 HA ASP A 58 -5.790 -6.537 10.537 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -3.261 -6.852 10.796 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -3.254 -5.494 11.904 1.00 0.00 H new ATOM 951 N GLY A 59 -6.953 -4.078 11.114 1.00 0.00 N ATOM 952 CA GLY A 59 -7.796 -3.153 11.871 1.00 0.00 C ATOM 953 C GLY A 59 -7.169 -1.823 12.229 1.00 0.00 C ATOM 954 O GLY A 59 -7.829 -0.956 12.792 1.00 0.00 O ATOM 0 H GLY A 59 -7.138 -4.087 10.111 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -8.700 -2.962 11.293 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -8.105 -3.646 12.793 1.00 0.00 H new ATOM 958 N GLN A 60 -5.875 -1.619 11.938 1.00 0.00 N ATOM 959 CA GLN A 60 -5.063 -0.548 12.487 1.00 0.00 C ATOM 960 C GLN A 60 -4.419 0.303 11.384 1.00 0.00 C ATOM 961 O GLN A 60 -4.372 -0.127 10.227 1.00 0.00 O ATOM 962 CB GLN A 60 -3.973 -1.210 13.376 1.00 0.00 C ATOM 963 CG GLN A 60 -4.573 -1.891 14.633 1.00 0.00 C ATOM 964 CD GLN A 60 -3.653 -2.949 15.239 1.00 0.00 C ATOM 965 OE1 GLN A 60 -3.097 -2.783 16.326 1.00 0.00 O ATOM 966 NE2 GLN A 60 -3.533 -4.106 14.552 1.00 0.00 N ATOM 0 H GLN A 60 -5.359 -2.219 11.294 1.00 0.00 H new ATOM 0 HA GLN A 60 -5.687 0.129 13.070 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -3.429 -1.950 12.789 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -3.251 -0.454 13.685 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -4.786 -1.130 15.384 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -5.524 -2.353 14.369 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -4.004 -4.217 13.654 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -2.971 -4.868 14.931 1.00 0.00 H new ATOM 975 N PRO A 61 -3.925 1.518 11.643 1.00 0.00 N ATOM 976 CA PRO A 61 -3.148 2.274 10.663 1.00 0.00 C ATOM 977 C PRO A 61 -1.720 1.755 10.559 1.00 0.00 C ATOM 978 O PRO A 61 -1.252 1.051 11.455 1.00 0.00 O ATOM 979 CB PRO A 61 -3.188 3.706 11.229 1.00 0.00 C ATOM 980 CG PRO A 61 -3.286 3.524 12.744 1.00 0.00 C ATOM 981 CD PRO A 61 -4.164 2.280 12.874 1.00 0.00 C ATOM 0 HA PRO A 61 -3.545 2.199 9.651 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -2.293 4.265 10.955 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -4.042 4.261 10.841 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -2.306 3.378 13.199 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -3.736 4.391 13.228 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -3.897 1.699 13.756 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -5.216 2.548 12.975 1.00 0.00 H new ATOM 989 N ILE A 62 -1.002 2.098 9.475 1.00 0.00 N ATOM 990 CA ILE A 62 0.333 1.586 9.209 1.00 0.00 C ATOM 991 C ILE A 62 1.139 2.651 8.470 1.00 0.00 C ATOM 992 O ILE A 62 0.569 3.524 7.817 1.00 0.00 O ATOM 993 CB ILE A 62 0.265 0.260 8.439 1.00 0.00 C ATOM 994 CG1 ILE A 62 1.633 -0.458 8.356 1.00 0.00 C ATOM 995 CG2 ILE A 62 -0.385 0.461 7.048 1.00 0.00 C ATOM 996 CD1 ILE A 62 1.519 -1.926 7.928 1.00 0.00 C ATOM 0 H ILE A 62 -1.343 2.742 8.762 1.00 0.00 H new ATOM 0 HA ILE A 62 0.841 1.369 10.149 1.00 0.00 H new ATOM 0 HB ILE A 62 -0.379 -0.410 9.009 1.00 0.00 H new ATOM 0 HG12 ILE A 62 2.272 0.071 7.649 1.00 0.00 H new ATOM 0 HG13 ILE A 62 2.123 -0.407 9.328 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -0.422 -0.493 6.522 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -1.397 0.846 7.172 1.00 0.00 H new ATOM 0 HG23 ILE A 62 0.206 1.172 6.470 1.00 0.00 H new ATOM 0 HD11 ILE A 62 2.513 -2.372 7.889 1.00 0.00 H new ATOM 0 HD12 ILE A 62 0.906 -2.468 8.648 1.00 0.00 H new ATOM 0 HD13 ILE A 62 1.057 -1.983 6.942 1.00 0.00 H new ATOM 1008 N ASN A 63 2.488 2.634 8.574 1.00 0.00 N ATOM 1009 CA ASN A 63 3.364 3.555 7.865 1.00 0.00 C ATOM 1010 C ASN A 63 4.036 2.879 6.680 1.00 0.00 C ATOM 1011 O ASN A 63 4.277 1.676 6.661 1.00 0.00 O ATOM 1012 CB ASN A 63 4.470 4.133 8.782 1.00 0.00 C ATOM 1013 CG ASN A 63 3.840 5.088 9.785 1.00 0.00 C ATOM 1014 OD1 ASN A 63 3.061 5.974 9.415 1.00 0.00 O ATOM 1015 ND2 ASN A 63 4.208 4.944 11.074 1.00 0.00 N ATOM 0 H ASN A 63 2.990 1.968 9.162 1.00 0.00 H new ATOM 0 HA ASN A 63 2.725 4.367 7.519 1.00 0.00 H new ATOM 0 HB2 ASN A 63 4.985 3.326 9.304 1.00 0.00 H new ATOM 0 HB3 ASN A 63 5.218 4.655 8.185 1.00 0.00 H new ATOM 0 HD21 ASN A 63 3.841 5.579 11.783 1.00 0.00 H new ATOM 0 HD22 ASN A 63 4.853 4.200 11.340 1.00 0.00 H new ATOM 1022 N GLU A 64 4.350 3.678 5.649 1.00 0.00 N ATOM 1023 CA GLU A 64 4.821 3.261 4.349 1.00 0.00 C ATOM 1024 C GLU A 64 6.256 3.709 4.078 1.00 0.00 C ATOM 1025 O GLU A 64 6.939 3.173 3.209 1.00 0.00 O ATOM 1026 CB GLU A 64 3.858 3.812 3.252 1.00 0.00 C ATOM 1027 CG GLU A 64 2.898 4.971 3.669 1.00 0.00 C ATOM 1028 CD GLU A 64 3.557 6.283 4.067 1.00 0.00 C ATOM 1029 OE1 GLU A 64 4.280 6.323 5.096 1.00 0.00 O ATOM 1030 OE2 GLU A 64 3.316 7.299 3.366 1.00 0.00 O ATOM 0 H GLU A 64 4.272 4.692 5.720 1.00 0.00 H new ATOM 0 HA GLU A 64 4.826 2.171 4.326 1.00 0.00 H new ATOM 0 HB2 GLU A 64 4.462 4.158 2.413 1.00 0.00 H new ATOM 0 HB3 GLU A 64 3.251 2.984 2.887 1.00 0.00 H new ATOM 0 HG2 GLU A 64 2.219 5.167 2.840 1.00 0.00 H new ATOM 0 HG3 GLU A 64 2.289 4.627 4.505 1.00 0.00 H new ATOM 1037 N ASN A 65 6.771 4.715 4.812 1.00 0.00 N ATOM 1038 CA ASN A 65 8.164 5.149 4.738 1.00 0.00 C ATOM 1039 C ASN A 65 9.155 4.112 5.287 1.00 0.00 C ATOM 1040 O ASN A 65 10.327 4.092 4.914 1.00 0.00 O ATOM 1041 CB ASN A 65 8.306 6.518 5.463 1.00 0.00 C ATOM 1042 CG ASN A 65 9.596 7.248 5.084 1.00 0.00 C ATOM 1043 OD1 ASN A 65 9.887 7.480 3.908 1.00 0.00 O ATOM 1044 ND2 ASN A 65 10.393 7.649 6.097 1.00 0.00 N ATOM 0 H ASN A 65 6.216 5.251 5.480 1.00 0.00 H new ATOM 0 HA ASN A 65 8.425 5.260 3.686 1.00 0.00 H new ATOM 0 HB2 ASN A 65 7.450 7.147 5.217 1.00 0.00 H new ATOM 0 HB3 ASN A 65 8.285 6.359 6.541 1.00 0.00 H new ATOM 0 HD21 ASN A 65 11.256 8.155 5.897 1.00 0.00 H new ATOM 0 HD22 ASN A 65 10.132 7.446 7.062 1.00 0.00 H new ATOM 1051 N ASP A 66 8.691 3.210 6.173 1.00 0.00 N ATOM 1052 CA ASP A 66 9.484 2.154 6.766 1.00 0.00 C ATOM 1053 C ASP A 66 9.773 1.001 5.780 1.00 0.00 C ATOM 1054 O ASP A 66 9.281 0.937 4.653 1.00 0.00 O ATOM 1055 CB ASP A 66 8.749 1.690 8.059 1.00 0.00 C ATOM 1056 CG ASP A 66 9.616 1.030 9.105 1.00 0.00 C ATOM 1057 OD1 ASP A 66 10.745 0.555 8.826 1.00 0.00 O ATOM 1058 OD2 ASP A 66 9.173 1.015 10.280 1.00 0.00 O ATOM 0 H ASP A 66 7.723 3.209 6.495 1.00 0.00 H new ATOM 0 HA ASP A 66 10.474 2.529 7.026 1.00 0.00 H new ATOM 0 HB2 ASP A 66 8.264 2.556 8.510 1.00 0.00 H new ATOM 0 HB3 ASP A 66 7.960 0.994 7.776 1.00 0.00 H new ATOM 1063 N THR A 67 10.625 0.061 6.201 1.00 0.00 N ATOM 1064 CA THR A 67 11.077 -1.090 5.438 1.00 0.00 C ATOM 1065 C THR A 67 10.149 -2.276 5.649 1.00 0.00 C ATOM 1066 O THR A 67 9.677 -2.464 6.770 1.00 0.00 O ATOM 1067 CB THR A 67 12.470 -1.551 5.854 1.00 0.00 C ATOM 1068 OG1 THR A 67 12.614 -1.644 7.269 1.00 0.00 O ATOM 1069 CG2 THR A 67 13.500 -0.512 5.389 1.00 0.00 C ATOM 0 H THR A 67 11.036 0.091 7.134 1.00 0.00 H new ATOM 0 HA THR A 67 11.086 -0.768 4.397 1.00 0.00 H new ATOM 0 HB THR A 67 12.622 -2.533 5.406 1.00 0.00 H new ATOM 0 HG1 THR A 67 11.729 -1.715 7.684 1.00 0.00 H new ATOM 0 HG21 THR A 67 14.499 -0.834 5.682 1.00 0.00 H new ATOM 0 HG22 THR A 67 13.454 -0.414 4.304 1.00 0.00 H new ATOM 0 HG23 THR A 67 13.279 0.451 5.850 1.00 0.00 H new ATOM 1077 N PRO A 68 9.866 -3.156 4.685 1.00 0.00 N ATOM 1078 CA PRO A 68 8.834 -4.187 4.845 1.00 0.00 C ATOM 1079 C PRO A 68 9.225 -5.299 5.812 1.00 0.00 C ATOM 1080 O PRO A 68 8.389 -6.132 6.147 1.00 0.00 O ATOM 1081 CB PRO A 68 8.632 -4.719 3.413 1.00 0.00 C ATOM 1082 CG PRO A 68 9.954 -4.424 2.696 1.00 0.00 C ATOM 1083 CD PRO A 68 10.379 -3.092 3.313 1.00 0.00 C ATOM 0 HA PRO A 68 7.925 -3.779 5.288 1.00 0.00 H new ATOM 0 HB2 PRO A 68 8.413 -5.787 3.415 1.00 0.00 H new ATOM 0 HB3 PRO A 68 7.796 -4.223 2.921 1.00 0.00 H new ATOM 0 HG2 PRO A 68 10.693 -5.206 2.871 1.00 0.00 H new ATOM 0 HG3 PRO A 68 9.821 -4.347 1.617 1.00 0.00 H new ATOM 0 HD2 PRO A 68 11.462 -2.973 3.297 1.00 0.00 H new ATOM 0 HD3 PRO A 68 9.957 -2.247 2.768 1.00 0.00 H new ATOM 1091 N THR A 69 10.476 -5.331 6.312 1.00 0.00 N ATOM 1092 CA THR A 69 10.903 -6.285 7.333 1.00 0.00 C ATOM 1093 C THR A 69 10.354 -5.952 8.712 1.00 0.00 C ATOM 1094 O THR A 69 10.187 -6.834 9.549 1.00 0.00 O ATOM 1095 CB THR A 69 12.424 -6.431 7.411 1.00 0.00 C ATOM 1096 OG1 THR A 69 12.820 -7.601 8.114 1.00 0.00 O ATOM 1097 CG2 THR A 69 13.132 -5.236 8.065 1.00 0.00 C ATOM 0 H THR A 69 11.213 -4.692 6.014 1.00 0.00 H new ATOM 0 HA THR A 69 10.484 -7.240 7.015 1.00 0.00 H new ATOM 0 HB THR A 69 12.729 -6.492 6.366 1.00 0.00 H new ATOM 0 HG1 THR A 69 13.798 -7.653 8.137 1.00 0.00 H new ATOM 0 HG21 THR A 69 14.207 -5.415 8.083 1.00 0.00 H new ATOM 0 HG22 THR A 69 12.924 -4.332 7.492 1.00 0.00 H new ATOM 0 HG23 THR A 69 12.768 -5.111 9.085 1.00 0.00 H new ATOM 1105 N SER A 70 10.044 -4.663 8.978 1.00 0.00 N ATOM 1106 CA SER A 70 9.725 -4.111 10.294 1.00 0.00 C ATOM 1107 C SER A 70 8.409 -4.599 10.879 1.00 0.00 C ATOM 1108 O SER A 70 8.156 -4.496 12.078 1.00 0.00 O ATOM 1109 CB SER A 70 9.662 -2.559 10.235 1.00 0.00 C ATOM 1110 OG SER A 70 10.826 -2.037 9.586 1.00 0.00 O ATOM 0 H SER A 70 10.011 -3.957 8.243 1.00 0.00 H new ATOM 0 HA SER A 70 10.529 -4.462 10.941 1.00 0.00 H new ATOM 0 HB2 SER A 70 8.767 -2.245 9.698 1.00 0.00 H new ATOM 0 HB3 SER A 70 9.587 -2.153 11.244 1.00 0.00 H new ATOM 0 HG SER A 70 10.640 -1.132 9.258 1.00 0.00 H new ATOM 1116 N LEU A 71 7.534 -5.143 10.013 1.00 0.00 N ATOM 1117 CA LEU A 71 6.223 -5.660 10.354 1.00 0.00 C ATOM 1118 C LEU A 71 6.239 -7.152 10.702 1.00 0.00 C ATOM 1119 O LEU A 71 5.323 -7.671 11.335 1.00 0.00 O ATOM 1120 CB LEU A 71 5.311 -5.403 9.128 1.00 0.00 C ATOM 1121 CG LEU A 71 3.797 -5.561 9.362 1.00 0.00 C ATOM 1122 CD1 LEU A 71 3.254 -4.521 10.354 1.00 0.00 C ATOM 1123 CD2 LEU A 71 3.056 -5.450 8.023 1.00 0.00 C ATOM 0 H LEU A 71 7.743 -5.232 9.019 1.00 0.00 H new ATOM 0 HA LEU A 71 5.858 -5.155 11.248 1.00 0.00 H new ATOM 0 HB2 LEU A 71 5.498 -4.391 8.768 1.00 0.00 H new ATOM 0 HB3 LEU A 71 5.608 -6.085 8.331 1.00 0.00 H new ATOM 0 HG LEU A 71 3.628 -6.545 9.800 1.00 0.00 H new ATOM 0 HD11 LEU A 71 2.183 -4.671 10.488 1.00 0.00 H new ATOM 0 HD12 LEU A 71 3.759 -4.635 11.313 1.00 0.00 H new ATOM 0 HD13 LEU A 71 3.434 -3.519 9.965 1.00 0.00 H new ATOM 0 HD21 LEU A 71 1.985 -5.562 8.190 1.00 0.00 H new ATOM 0 HD22 LEU A 71 3.254 -4.475 7.577 1.00 0.00 H new ATOM 0 HD23 LEU A 71 3.402 -6.234 7.349 1.00 0.00 H new ATOM 1135 N GLU A 72 7.298 -7.877 10.278 1.00 0.00 N ATOM 1136 CA GLU A 72 7.492 -9.312 10.468 1.00 0.00 C ATOM 1137 C GLU A 72 6.466 -10.262 9.839 1.00 0.00 C ATOM 1138 O GLU A 72 6.261 -11.370 10.326 1.00 0.00 O ATOM 1139 CB GLU A 72 7.722 -9.722 11.947 1.00 0.00 C ATOM 1140 CG GLU A 72 8.901 -9.003 12.638 1.00 0.00 C ATOM 1141 CD GLU A 72 9.334 -9.779 13.866 1.00 0.00 C ATOM 1142 OE1 GLU A 72 8.527 -9.949 14.817 1.00 0.00 O ATOM 1143 OE2 GLU A 72 10.488 -10.284 13.876 1.00 0.00 O ATOM 0 H GLU A 72 8.071 -7.447 9.771 1.00 0.00 H new ATOM 0 HA GLU A 72 8.406 -9.450 9.891 1.00 0.00 H new ATOM 0 HB2 GLU A 72 6.811 -9.523 12.511 1.00 0.00 H new ATOM 0 HB3 GLU A 72 7.894 -10.797 11.990 1.00 0.00 H new ATOM 0 HG2 GLU A 72 9.737 -8.908 11.944 1.00 0.00 H new ATOM 0 HG3 GLU A 72 8.606 -7.993 12.922 1.00 0.00 H new ATOM 1150 N MET A 73 5.817 -9.908 8.711 1.00 0.00 N ATOM 1151 CA MET A 73 4.881 -10.823 8.064 1.00 0.00 C ATOM 1152 C MET A 73 5.567 -11.934 7.269 1.00 0.00 C ATOM 1153 O MET A 73 5.545 -13.083 7.705 1.00 0.00 O ATOM 1154 CB MET A 73 3.849 -10.066 7.192 1.00 0.00 C ATOM 1155 CG MET A 73 2.835 -9.251 8.024 1.00 0.00 C ATOM 1156 SD MET A 73 1.796 -10.263 9.132 1.00 0.00 S ATOM 1157 CE MET A 73 2.532 -9.681 10.689 1.00 0.00 C ATOM 0 H MET A 73 5.927 -9.009 8.243 1.00 0.00 H new ATOM 0 HA MET A 73 4.344 -11.316 8.875 1.00 0.00 H new ATOM 0 HB2 MET A 73 4.377 -9.395 6.515 1.00 0.00 H new ATOM 0 HB3 MET A 73 3.309 -10.783 6.573 1.00 0.00 H new ATOM 0 HG2 MET A 73 3.377 -8.518 8.621 1.00 0.00 H new ATOM 0 HG3 MET A 73 2.189 -8.694 7.345 1.00 0.00 H new ATOM 0 HE1 MET A 73 2.044 -10.175 11.529 1.00 0.00 H new ATOM 0 HE2 MET A 73 3.596 -9.916 10.699 1.00 0.00 H new ATOM 0 HE3 MET A 73 2.398 -8.603 10.774 1.00 0.00 H new ATOM 1167 N GLU A 74 6.173 -11.580 6.107 1.00 0.00 N ATOM 1168 CA GLU A 74 6.951 -12.392 5.168 1.00 0.00 C ATOM 1169 C GLU A 74 6.678 -11.850 3.771 1.00 0.00 C ATOM 1170 O GLU A 74 7.128 -10.755 3.444 1.00 0.00 O ATOM 1171 CB GLU A 74 6.785 -13.934 5.274 1.00 0.00 C ATOM 1172 CG GLU A 74 7.736 -14.775 4.397 1.00 0.00 C ATOM 1173 CD GLU A 74 7.773 -16.236 4.820 1.00 0.00 C ATOM 1174 OE1 GLU A 74 7.074 -16.639 5.780 1.00 0.00 O ATOM 1175 OE2 GLU A 74 8.542 -16.995 4.164 1.00 0.00 O ATOM 0 H GLU A 74 6.116 -10.615 5.781 1.00 0.00 H new ATOM 0 HA GLU A 74 8.002 -12.287 5.436 1.00 0.00 H new ATOM 0 HB2 GLU A 74 6.929 -14.225 6.315 1.00 0.00 H new ATOM 0 HB3 GLU A 74 5.758 -14.189 5.011 1.00 0.00 H new ATOM 0 HG2 GLU A 74 7.420 -14.709 3.356 1.00 0.00 H new ATOM 0 HG3 GLU A 74 8.741 -14.358 4.452 1.00 0.00 H new ATOM 1182 N GLU A 75 5.896 -12.551 2.927 1.00 0.00 N ATOM 1183 CA GLU A 75 5.265 -11.949 1.768 1.00 0.00 C ATOM 1184 C GLU A 75 3.772 -12.167 1.875 1.00 0.00 C ATOM 1185 O GLU A 75 3.302 -12.946 2.706 1.00 0.00 O ATOM 1186 CB GLU A 75 5.804 -12.437 0.392 1.00 0.00 C ATOM 1187 CG GLU A 75 5.414 -13.861 -0.096 1.00 0.00 C ATOM 1188 CD GLU A 75 5.501 -13.956 -1.612 1.00 0.00 C ATOM 1189 OE1 GLU A 75 4.825 -13.130 -2.284 1.00 0.00 O ATOM 1190 OE2 GLU A 75 6.202 -14.841 -2.165 1.00 0.00 O ATOM 0 H GLU A 75 5.693 -13.544 3.041 1.00 0.00 H new ATOM 0 HA GLU A 75 5.515 -10.888 1.785 1.00 0.00 H new ATOM 0 HB2 GLU A 75 5.473 -11.725 -0.365 1.00 0.00 H new ATOM 0 HB3 GLU A 75 6.892 -12.385 0.425 1.00 0.00 H new ATOM 0 HG2 GLU A 75 6.075 -14.599 0.358 1.00 0.00 H new ATOM 0 HG3 GLU A 75 4.401 -14.097 0.230 1.00 0.00 H new ATOM 1197 N GLY A 76 2.969 -11.478 1.042 1.00 0.00 N ATOM 1198 CA GLY A 76 1.518 -11.585 1.094 1.00 0.00 C ATOM 1199 C GLY A 76 0.896 -10.697 2.129 1.00 0.00 C ATOM 1200 O GLY A 76 0.270 -11.166 3.076 1.00 0.00 O ATOM 0 H GLY A 76 3.314 -10.840 0.324 1.00 0.00 H new ATOM 0 HA2 GLY A 76 1.107 -11.335 0.116 1.00 0.00 H new ATOM 0 HA3 GLY A 76 1.244 -12.620 1.300 1.00 0.00 H new ATOM 1204 N ASP A 77 1.010 -9.370 1.937 1.00 0.00 N ATOM 1205 CA ASP A 77 0.178 -8.411 2.638 1.00 0.00 C ATOM 1206 C ASP A 77 -1.249 -8.502 2.093 1.00 0.00 C ATOM 1207 O ASP A 77 -1.473 -8.937 0.963 1.00 0.00 O ATOM 1208 CB ASP A 77 0.760 -6.979 2.484 1.00 0.00 C ATOM 1209 CG ASP A 77 0.055 -5.946 3.354 1.00 0.00 C ATOM 1210 OD1 ASP A 77 -0.685 -6.354 4.286 1.00 0.00 O ATOM 1211 OD2 ASP A 77 0.228 -4.738 3.066 1.00 0.00 O ATOM 0 H ASP A 77 1.680 -8.948 1.294 1.00 0.00 H new ATOM 0 HA ASP A 77 0.160 -8.639 3.704 1.00 0.00 H new ATOM 0 HB2 ASP A 77 1.820 -6.996 2.738 1.00 0.00 H new ATOM 0 HB3 ASP A 77 0.687 -6.675 1.440 1.00 0.00 H new ATOM 1216 N THR A 78 -2.235 -8.114 2.908 1.00 0.00 N ATOM 1217 CA THR A 78 -3.654 -8.165 2.593 1.00 0.00 C ATOM 1218 C THR A 78 -4.286 -6.908 3.139 1.00 0.00 C ATOM 1219 O THR A 78 -5.106 -6.945 4.062 1.00 0.00 O ATOM 1220 CB THR A 78 -4.411 -9.380 3.154 1.00 0.00 C ATOM 1221 OG1 THR A 78 -4.261 -9.508 4.563 1.00 0.00 O ATOM 1222 CG2 THR A 78 -3.883 -10.677 2.526 1.00 0.00 C ATOM 0 H THR A 78 -2.052 -7.742 3.840 1.00 0.00 H new ATOM 0 HA THR A 78 -3.728 -8.254 1.509 1.00 0.00 H new ATOM 0 HB THR A 78 -5.462 -9.218 2.913 1.00 0.00 H new ATOM 0 HG1 THR A 78 -4.523 -8.669 4.997 1.00 0.00 H new ATOM 0 HG21 THR A 78 -4.429 -11.527 2.934 1.00 0.00 H new ATOM 0 HG22 THR A 78 -4.022 -10.641 1.445 1.00 0.00 H new ATOM 0 HG23 THR A 78 -2.822 -10.785 2.752 1.00 0.00 H new ATOM 1230 N ILE A 79 -3.907 -5.742 2.601 1.00 0.00 N ATOM 1231 CA ILE A 79 -4.335 -4.460 3.129 1.00 0.00 C ATOM 1232 C ILE A 79 -5.744 -4.101 2.656 1.00 0.00 C ATOM 1233 O ILE A 79 -6.074 -4.169 1.469 1.00 0.00 O ATOM 1234 CB ILE A 79 -3.289 -3.380 2.850 1.00 0.00 C ATOM 1235 CG1 ILE A 79 -3.507 -2.129 3.730 1.00 0.00 C ATOM 1236 CG2 ILE A 79 -3.189 -3.052 1.343 1.00 0.00 C ATOM 1237 CD1 ILE A 79 -2.314 -1.167 3.699 1.00 0.00 C ATOM 0 H ILE A 79 -3.295 -5.671 1.788 1.00 0.00 H new ATOM 0 HA ILE A 79 -4.408 -4.533 4.214 1.00 0.00 H new ATOM 0 HB ILE A 79 -2.317 -3.783 3.135 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -4.400 -1.604 3.392 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -3.690 -2.441 4.758 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -2.435 -2.280 1.188 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -2.908 -3.950 0.793 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -4.154 -2.694 0.984 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -2.524 -0.307 4.335 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -1.424 -1.680 4.063 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -2.145 -0.829 2.676 1.00 0.00 H new ATOM 1249 N GLU A 80 -6.656 -3.755 3.596 1.00 0.00 N ATOM 1250 CA GLU A 80 -8.049 -3.511 3.264 1.00 0.00 C ATOM 1251 C GLU A 80 -8.317 -2.032 3.024 1.00 0.00 C ATOM 1252 O GLU A 80 -7.892 -1.150 3.773 1.00 0.00 O ATOM 1253 CB GLU A 80 -9.055 -4.120 4.281 1.00 0.00 C ATOM 1254 CG GLU A 80 -8.996 -3.527 5.705 1.00 0.00 C ATOM 1255 CD GLU A 80 -10.001 -4.149 6.653 1.00 0.00 C ATOM 1256 OE1 GLU A 80 -11.234 -3.945 6.496 1.00 0.00 O ATOM 1257 OE2 GLU A 80 -9.574 -4.737 7.680 1.00 0.00 O ATOM 0 H GLU A 80 -6.436 -3.643 4.586 1.00 0.00 H new ATOM 0 HA GLU A 80 -8.224 -4.043 2.329 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -10.064 -3.987 3.892 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -8.876 -5.193 4.345 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -7.993 -3.665 6.108 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -9.173 -2.453 5.652 1.00 0.00 H new ATOM 1264 N VAL A 81 -9.015 -1.736 1.914 1.00 0.00 N ATOM 1265 CA VAL A 81 -9.312 -0.396 1.449 1.00 0.00 C ATOM 1266 C VAL A 81 -10.810 -0.141 1.453 1.00 0.00 C ATOM 1267 O VAL A 81 -11.610 -0.849 0.845 1.00 0.00 O ATOM 1268 CB VAL A 81 -8.737 -0.151 0.054 1.00 0.00 C ATOM 1269 CG1 VAL A 81 -9.233 1.179 -0.551 1.00 0.00 C ATOM 1270 CG2 VAL A 81 -7.198 -0.145 0.163 1.00 0.00 C ATOM 0 H VAL A 81 -9.396 -2.459 1.303 1.00 0.00 H new ATOM 0 HA VAL A 81 -8.838 0.302 2.139 1.00 0.00 H new ATOM 0 HB VAL A 81 -9.075 -0.945 -0.612 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -8.799 1.312 -1.542 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -10.320 1.160 -0.630 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -8.930 2.006 0.091 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -6.764 0.028 -0.822 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -6.884 0.648 0.842 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -6.857 -1.107 0.546 1.00 0.00 H new ATOM 1280 N TYR A 82 -11.238 0.923 2.152 1.00 0.00 N ATOM 1281 CA TYR A 82 -12.587 1.440 2.096 1.00 0.00 C ATOM 1282 C TYR A 82 -12.586 2.685 1.210 1.00 0.00 C ATOM 1283 O TYR A 82 -12.141 3.762 1.612 1.00 0.00 O ATOM 1284 CB TYR A 82 -13.115 1.797 3.520 1.00 0.00 C ATOM 1285 CG TYR A 82 -13.676 0.607 4.270 1.00 0.00 C ATOM 1286 CD1 TYR A 82 -12.944 -0.582 4.469 1.00 0.00 C ATOM 1287 CD2 TYR A 82 -14.967 0.693 4.825 1.00 0.00 C ATOM 1288 CE1 TYR A 82 -13.506 -1.667 5.158 1.00 0.00 C ATOM 1289 CE2 TYR A 82 -15.516 -0.379 5.543 1.00 0.00 C ATOM 1290 CZ TYR A 82 -14.790 -1.564 5.698 1.00 0.00 C ATOM 1291 OH TYR A 82 -15.369 -2.653 6.379 1.00 0.00 O ATOM 0 H TYR A 82 -10.631 1.449 2.781 1.00 0.00 H new ATOM 0 HA TYR A 82 -13.248 0.678 1.683 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -12.303 2.233 4.102 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -13.889 2.559 3.432 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -11.937 -0.658 4.086 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -15.543 1.598 4.696 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -12.945 -2.583 5.271 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -16.501 -0.289 5.977 1.00 0.00 H new ATOM 0 HH TYR A 82 -16.265 -2.406 6.689 1.00 0.00 H new ATOM 1301 N GLN A 83 -13.084 2.571 -0.039 1.00 0.00 N ATOM 1302 CA GLN A 83 -13.314 3.713 -0.910 1.00 0.00 C ATOM 1303 C GLN A 83 -14.625 4.417 -0.578 1.00 0.00 C ATOM 1304 O GLN A 83 -15.612 3.794 -0.181 1.00 0.00 O ATOM 1305 CB GLN A 83 -13.333 3.288 -2.397 1.00 0.00 C ATOM 1306 CG GLN A 83 -11.932 2.957 -2.965 1.00 0.00 C ATOM 1307 CD GLN A 83 -11.310 4.087 -3.783 1.00 0.00 C ATOM 1308 OE1 GLN A 83 -10.990 3.903 -4.961 1.00 0.00 O ATOM 1309 NE2 GLN A 83 -11.120 5.288 -3.192 1.00 0.00 N ATOM 0 H GLN A 83 -13.334 1.677 -0.461 1.00 0.00 H new ATOM 0 HA GLN A 83 -12.488 4.405 -0.742 1.00 0.00 H new ATOM 0 HB2 GLN A 83 -13.976 2.415 -2.509 1.00 0.00 H new ATOM 0 HB3 GLN A 83 -13.776 4.089 -2.989 1.00 0.00 H new ATOM 0 HG2 GLN A 83 -11.265 2.711 -2.139 1.00 0.00 H new ATOM 0 HG3 GLN A 83 -12.006 2.068 -3.591 1.00 0.00 H new ATOM 0 HE21 GLN A 83 -11.389 5.425 -2.218 1.00 0.00 H new ATOM 0 HE22 GLN A 83 -10.707 6.057 -3.720 1.00 0.00 H new ATOM 1318 N GLN A 84 -14.665 5.756 -0.706 1.00 0.00 N ATOM 1319 CA GLN A 84 -15.816 6.545 -0.311 1.00 0.00 C ATOM 1320 C GLN A 84 -16.193 7.553 -1.387 1.00 0.00 C ATOM 1321 O GLN A 84 -15.327 8.129 -2.041 1.00 0.00 O ATOM 1322 CB GLN A 84 -15.502 7.244 1.043 1.00 0.00 C ATOM 1323 CG GLN A 84 -16.692 7.352 2.032 1.00 0.00 C ATOM 1324 CD GLN A 84 -17.073 6.062 2.775 1.00 0.00 C ATOM 1325 OE1 GLN A 84 -17.766 6.103 3.797 1.00 0.00 O ATOM 1326 NE2 GLN A 84 -16.639 4.875 2.304 1.00 0.00 N ATOM 0 H GLN A 84 -13.896 6.308 -1.086 1.00 0.00 H new ATOM 0 HA GLN A 84 -16.678 5.890 -0.185 1.00 0.00 H new ATOM 0 HB2 GLN A 84 -14.694 6.701 1.533 1.00 0.00 H new ATOM 0 HB3 GLN A 84 -15.132 8.248 0.836 1.00 0.00 H new ATOM 0 HG2 GLN A 84 -16.455 8.117 2.772 1.00 0.00 H new ATOM 0 HG3 GLN A 84 -17.565 7.701 1.481 1.00 0.00 H new ATOM 0 HE21 GLN A 84 -16.067 4.839 1.460 1.00 0.00 H new ATOM 0 HE22 GLN A 84 -16.883 4.013 2.791 1.00 0.00 H new