USER MOD reduce.3.24.130724 H: found=0, std=0, add=546, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 548 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 61 HIS : no HD1:sc= 0.8 K(o=1.9,f=-3.6!) USER MOD Set 1.2: A 65 THR OG1 : rot -67:sc= 1.12 USER MOD Set 2.1: A 41 SER OG : rot -113:sc= 1.28 USER MOD Set 2.2: A 43 SER OG : rot 60:sc= 2.08 USER MOD Single : A 9 GLN : amide:sc= -0.855 X(o=-0.85,f=-1.1) USER MOD Single : A 11 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 25 THR OG1 : rot 180:sc= -0.744 USER MOD Single : A 26 THR OG1 : rot 177:sc= 0.0826 USER MOD Single : A 32 LYS NZ :NH3+ -165:sc= 1.15 (180deg=0.794) USER MOD Single : A 34 LYS NZ :NH3+ 143:sc= 1.24 (180deg=1.09) USER MOD Single : A 39 LYS NZ :NH3+ -141:sc= 0.321 (180deg=-0.665!) USER MOD Single : A 50 GLN : amide:sc= 0.893 K(o=0.89,f=-0.93) USER MOD Single : A 51 LYS NZ :NH3+ 164:sc= 1.23 (180deg=1.14) USER MOD Single : A 54 SER OG : rot 13:sc= 0.454 USER MOD Single : A 58 GLN : amide:sc= -0.916 K(o=-0.92,f=-5.1!) USER MOD Single : A 60 GLN : amide:sc= -0.127 K(o=-0.13,f=-0.99) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 67 CYS SG : rot -78:sc= 0.496 USER MOD Single : A 75 LYS NZ :NH3+ -167:sc= 1.26 (180deg=1.12) USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 GLN : amide:sc= 0.366 K(o=0.37,f=-0.2) USER MOD Single : A 80 TYR OH : rot 30:sc= -0.341 USER MOD ----------------------------------------------------------------- ATOM 134 N GLN A 9 0.236 12.483 -12.140 1.00 0.00 N ATOM 135 CA GLN A 9 0.721 12.025 -10.842 1.00 0.00 C ATOM 136 C GLN A 9 2.181 11.596 -10.919 1.00 0.00 C ATOM 137 O GLN A 9 2.640 11.093 -11.946 1.00 0.00 O ATOM 138 CB GLN A 9 -0.119 10.856 -10.308 1.00 0.00 C ATOM 139 CG GLN A 9 -1.612 11.132 -10.236 1.00 0.00 C ATOM 140 CD GLN A 9 -2.319 10.888 -11.556 1.00 0.00 C ATOM 141 OE1 GLN A 9 -2.459 11.787 -12.384 1.00 0.00 O ATOM 142 NE2 GLN A 9 -2.767 9.660 -11.768 1.00 0.00 N ATOM 0 HA GLN A 9 0.630 12.868 -10.157 1.00 0.00 H new ATOM 0 HB2 GLN A 9 0.046 9.986 -10.944 1.00 0.00 H new ATOM 0 HB3 GLN A 9 0.238 10.595 -9.312 1.00 0.00 H new ATOM 0 HG2 GLN A 9 -2.057 10.499 -9.468 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -1.771 12.166 -9.929 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -2.633 8.939 -11.059 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -3.246 9.435 -12.640 1.00 0.00 H new ATOM 151 N ASP A 10 2.894 11.792 -9.822 1.00 0.00 N ATOM 152 CA ASP A 10 4.280 11.372 -9.724 1.00 0.00 C ATOM 153 C ASP A 10 4.366 9.854 -9.653 1.00 0.00 C ATOM 154 O ASP A 10 3.417 9.185 -9.231 1.00 0.00 O ATOM 155 CB ASP A 10 4.955 12.004 -8.501 1.00 0.00 C ATOM 156 CG ASP A 10 4.185 11.780 -7.215 1.00 0.00 C ATOM 157 OD1 ASP A 10 3.128 12.419 -7.029 1.00 0.00 O ATOM 158 OD2 ASP A 10 4.648 10.983 -6.369 1.00 0.00 O ATOM 0 H ASP A 10 2.531 12.243 -8.982 1.00 0.00 H new ATOM 0 HA ASP A 10 4.806 11.712 -10.616 1.00 0.00 H new ATOM 0 HB2 ASP A 10 5.958 11.591 -8.393 1.00 0.00 H new ATOM 0 HB3 ASP A 10 5.067 13.075 -8.668 1.00 0.00 H new ATOM 163 N ASN A 11 5.492 9.307 -10.080 1.00 0.00 N ATOM 164 CA ASN A 11 5.657 7.864 -10.122 1.00 0.00 C ATOM 165 C ASN A 11 6.594 7.384 -9.023 1.00 0.00 C ATOM 166 O ASN A 11 7.525 8.087 -8.625 1.00 0.00 O ATOM 167 CB ASN A 11 6.166 7.407 -11.497 1.00 0.00 C ATOM 168 CG ASN A 11 7.577 7.874 -11.815 1.00 0.00 C ATOM 169 OD1 ASN A 11 7.779 8.971 -12.331 1.00 0.00 O ATOM 170 ND2 ASN A 11 8.562 7.029 -11.540 1.00 0.00 N ATOM 0 H ASN A 11 6.302 9.838 -10.401 1.00 0.00 H new ATOM 0 HA ASN A 11 4.677 7.417 -9.952 1.00 0.00 H new ATOM 0 HB2 ASN A 11 6.135 6.318 -11.542 1.00 0.00 H new ATOM 0 HB3 ASN A 11 5.489 7.778 -12.266 1.00 0.00 H new ATOM 0 HD21 ASN A 11 9.526 7.281 -11.757 1.00 0.00 H new ATOM 0 HD22 ASN A 11 8.355 6.127 -11.111 1.00 0.00 H new ATOM 177 N PHE A 12 6.317 6.191 -8.526 1.00 0.00 N ATOM 178 CA PHE A 12 7.136 5.565 -7.504 1.00 0.00 C ATOM 179 C PHE A 12 7.775 4.308 -8.064 1.00 0.00 C ATOM 180 O PHE A 12 7.161 3.600 -8.869 1.00 0.00 O ATOM 181 CB PHE A 12 6.282 5.202 -6.286 1.00 0.00 C ATOM 182 CG PHE A 12 5.628 6.382 -5.632 1.00 0.00 C ATOM 183 CD1 PHE A 12 6.328 7.156 -4.724 1.00 0.00 C ATOM 184 CD2 PHE A 12 4.316 6.716 -5.922 1.00 0.00 C ATOM 185 CE1 PHE A 12 5.734 8.245 -4.117 1.00 0.00 C ATOM 186 CE2 PHE A 12 3.715 7.801 -5.318 1.00 0.00 C ATOM 187 CZ PHE A 12 4.425 8.568 -4.414 1.00 0.00 C ATOM 0 H PHE A 12 5.518 5.629 -8.820 1.00 0.00 H new ATOM 0 HA PHE A 12 7.911 6.267 -7.197 1.00 0.00 H new ATOM 0 HB2 PHE A 12 5.511 4.495 -6.592 1.00 0.00 H new ATOM 0 HB3 PHE A 12 6.908 4.693 -5.553 1.00 0.00 H new ATOM 0 HD1 PHE A 12 7.351 6.906 -4.487 1.00 0.00 H new ATOM 0 HD2 PHE A 12 3.757 6.121 -6.629 1.00 0.00 H new ATOM 0 HE1 PHE A 12 6.292 8.843 -3.412 1.00 0.00 H new ATOM 0 HE2 PHE A 12 2.691 8.051 -5.551 1.00 0.00 H new ATOM 0 HZ PHE A 12 3.957 9.418 -3.941 1.00 0.00 H new ATOM 197 N VAL A 13 8.999 4.027 -7.651 1.00 0.00 N ATOM 198 CA VAL A 13 9.658 2.801 -8.057 1.00 0.00 C ATOM 199 C VAL A 13 9.260 1.692 -7.100 1.00 0.00 C ATOM 200 O VAL A 13 9.673 1.680 -5.940 1.00 0.00 O ATOM 201 CB VAL A 13 11.195 2.941 -8.085 1.00 0.00 C ATOM 202 CG1 VAL A 13 11.846 1.641 -8.537 1.00 0.00 C ATOM 203 CG2 VAL A 13 11.611 4.088 -8.991 1.00 0.00 C ATOM 0 H VAL A 13 9.552 4.627 -7.039 1.00 0.00 H new ATOM 0 HA VAL A 13 9.340 2.567 -9.073 1.00 0.00 H new ATOM 0 HB VAL A 13 11.536 3.161 -7.073 1.00 0.00 H new ATOM 0 HG11 VAL A 13 12.929 1.762 -8.550 1.00 0.00 H new ATOM 0 HG12 VAL A 13 11.578 0.841 -7.847 1.00 0.00 H new ATOM 0 HG13 VAL A 13 11.497 1.388 -9.538 1.00 0.00 H new ATOM 0 HG21 VAL A 13 12.698 4.171 -8.998 1.00 0.00 H new ATOM 0 HG22 VAL A 13 11.255 3.899 -10.004 1.00 0.00 H new ATOM 0 HG23 VAL A 13 11.179 5.018 -8.622 1.00 0.00 H new ATOM 213 N VAL A 14 8.421 0.794 -7.578 1.00 0.00 N ATOM 214 CA VAL A 14 7.891 -0.267 -6.748 1.00 0.00 C ATOM 215 C VAL A 14 8.434 -1.615 -7.195 1.00 0.00 C ATOM 216 O VAL A 14 8.008 -2.158 -8.214 1.00 0.00 O ATOM 217 CB VAL A 14 6.351 -0.296 -6.800 1.00 0.00 C ATOM 218 CG1 VAL A 14 5.797 -1.287 -5.792 1.00 0.00 C ATOM 219 CG2 VAL A 14 5.780 1.093 -6.563 1.00 0.00 C ATOM 0 H VAL A 14 8.091 0.779 -8.543 1.00 0.00 H new ATOM 0 HA VAL A 14 8.205 -0.071 -5.723 1.00 0.00 H new ATOM 0 HB VAL A 14 6.049 -0.622 -7.795 1.00 0.00 H new ATOM 0 HG11 VAL A 14 4.708 -1.291 -5.846 1.00 0.00 H new ATOM 0 HG12 VAL A 14 6.175 -2.284 -6.017 1.00 0.00 H new ATOM 0 HG13 VAL A 14 6.109 -0.998 -4.788 1.00 0.00 H new ATOM 0 HG21 VAL A 14 4.692 1.051 -6.604 1.00 0.00 H new ATOM 0 HG22 VAL A 14 6.093 1.453 -5.583 1.00 0.00 H new ATOM 0 HG23 VAL A 14 6.146 1.773 -7.332 1.00 0.00 H new ATOM 229 N LEU A 15 9.385 -2.144 -6.443 1.00 0.00 N ATOM 230 CA LEU A 15 9.966 -3.435 -6.767 1.00 0.00 C ATOM 231 C LEU A 15 9.269 -4.535 -5.982 1.00 0.00 C ATOM 232 O LEU A 15 9.523 -4.724 -4.790 1.00 0.00 O ATOM 233 CB LEU A 15 11.470 -3.439 -6.481 1.00 0.00 C ATOM 234 CG LEU A 15 12.291 -2.451 -7.314 1.00 0.00 C ATOM 235 CD1 LEU A 15 13.762 -2.529 -6.938 1.00 0.00 C ATOM 236 CD2 LEU A 15 12.111 -2.723 -8.799 1.00 0.00 C ATOM 0 H LEU A 15 9.769 -1.702 -5.608 1.00 0.00 H new ATOM 0 HA LEU A 15 9.824 -3.622 -7.831 1.00 0.00 H new ATOM 0 HB2 LEU A 15 11.624 -3.216 -5.425 1.00 0.00 H new ATOM 0 HB3 LEU A 15 11.855 -4.444 -6.654 1.00 0.00 H new ATOM 0 HG LEU A 15 11.931 -1.444 -7.101 1.00 0.00 H new ATOM 0 HD11 LEU A 15 14.330 -1.820 -7.540 1.00 0.00 H new ATOM 0 HD12 LEU A 15 13.881 -2.285 -5.882 1.00 0.00 H new ATOM 0 HD13 LEU A 15 14.131 -3.538 -7.121 1.00 0.00 H new ATOM 0 HD21 LEU A 15 12.702 -2.010 -9.374 1.00 0.00 H new ATOM 0 HD22 LEU A 15 12.442 -3.736 -9.026 1.00 0.00 H new ATOM 0 HD23 LEU A 15 11.059 -2.618 -9.063 1.00 0.00 H new ATOM 248 N GLU A 16 8.378 -5.245 -6.658 1.00 0.00 N ATOM 249 CA GLU A 16 7.587 -6.290 -6.029 1.00 0.00 C ATOM 250 C GLU A 16 8.385 -7.593 -5.987 1.00 0.00 C ATOM 251 O GLU A 16 9.277 -7.805 -6.806 1.00 0.00 O ATOM 252 CB GLU A 16 6.276 -6.476 -6.797 1.00 0.00 C ATOM 253 CG GLU A 16 5.208 -7.233 -6.027 1.00 0.00 C ATOM 254 CD GLU A 16 3.854 -7.185 -6.710 1.00 0.00 C ATOM 255 OE1 GLU A 16 3.507 -6.127 -7.279 1.00 0.00 O ATOM 256 OE2 GLU A 16 3.127 -8.199 -6.675 1.00 0.00 O ATOM 0 H GLU A 16 8.184 -5.114 -7.651 1.00 0.00 H new ATOM 0 HA GLU A 16 7.350 -6.002 -5.005 1.00 0.00 H new ATOM 0 HB2 GLU A 16 5.885 -5.496 -7.070 1.00 0.00 H new ATOM 0 HB3 GLU A 16 6.484 -7.007 -7.726 1.00 0.00 H new ATOM 0 HG2 GLU A 16 5.516 -8.272 -5.911 1.00 0.00 H new ATOM 0 HG3 GLU A 16 5.121 -6.813 -5.025 1.00 0.00 H new ATOM 354 N PHE A 23 7.383 0.610 -12.674 1.00 0.00 N ATOM 355 CA PHE A 23 7.160 1.707 -11.736 1.00 0.00 C ATOM 356 C PHE A 23 5.949 2.535 -12.158 1.00 0.00 C ATOM 357 O PHE A 23 5.769 2.838 -13.338 1.00 0.00 O ATOM 358 CB PHE A 23 8.415 2.581 -11.601 1.00 0.00 C ATOM 359 CG PHE A 23 9.177 2.777 -12.881 1.00 0.00 C ATOM 360 CD1 PHE A 23 10.184 1.894 -13.237 1.00 0.00 C ATOM 361 CD2 PHE A 23 8.894 3.839 -13.721 1.00 0.00 C ATOM 362 CE1 PHE A 23 10.892 2.066 -14.408 1.00 0.00 C ATOM 363 CE2 PHE A 23 9.599 4.015 -14.894 1.00 0.00 C ATOM 364 CZ PHE A 23 10.600 3.127 -15.237 1.00 0.00 C ATOM 0 HA PHE A 23 6.951 1.281 -10.755 1.00 0.00 H new ATOM 0 HB2 PHE A 23 8.123 3.557 -11.213 1.00 0.00 H new ATOM 0 HB3 PHE A 23 9.079 2.131 -10.863 1.00 0.00 H new ATOM 0 HD1 PHE A 23 10.417 1.061 -12.590 1.00 0.00 H new ATOM 0 HD2 PHE A 23 8.114 4.537 -13.456 1.00 0.00 H new ATOM 0 HE1 PHE A 23 11.674 1.370 -14.675 1.00 0.00 H new ATOM 0 HE2 PHE A 23 9.368 4.846 -15.544 1.00 0.00 H new ATOM 0 HZ PHE A 23 11.153 3.264 -16.154 1.00 0.00 H new ATOM 374 N LEU A 24 5.132 2.904 -11.183 1.00 0.00 N ATOM 375 CA LEU A 24 3.796 3.407 -11.461 1.00 0.00 C ATOM 376 C LEU A 24 3.468 4.629 -10.609 1.00 0.00 C ATOM 377 O LEU A 24 4.156 4.918 -9.628 1.00 0.00 O ATOM 378 CB LEU A 24 2.751 2.290 -11.257 1.00 0.00 C ATOM 379 CG LEU A 24 2.713 1.604 -9.872 1.00 0.00 C ATOM 380 CD1 LEU A 24 1.459 0.759 -9.743 1.00 0.00 C ATOM 381 CD2 LEU A 24 3.929 0.714 -9.646 1.00 0.00 C ATOM 0 H LEU A 24 5.371 2.864 -10.192 1.00 0.00 H new ATOM 0 HA LEU A 24 3.765 3.724 -12.503 1.00 0.00 H new ATOM 0 HB2 LEU A 24 1.765 2.710 -11.453 1.00 0.00 H new ATOM 0 HB3 LEU A 24 2.926 1.522 -12.010 1.00 0.00 H new ATOM 0 HG LEU A 24 2.717 2.394 -9.121 1.00 0.00 H new ATOM 0 HD11 LEU A 24 1.442 0.280 -8.764 1.00 0.00 H new ATOM 0 HD12 LEU A 24 0.580 1.394 -9.852 1.00 0.00 H new ATOM 0 HD13 LEU A 24 1.453 -0.005 -10.521 1.00 0.00 H new ATOM 0 HD21 LEU A 24 3.863 0.251 -8.661 1.00 0.00 H new ATOM 0 HD22 LEU A 24 3.959 -0.062 -10.411 1.00 0.00 H new ATOM 0 HD23 LEU A 24 4.836 1.316 -9.704 1.00 0.00 H new ATOM 393 N THR A 25 2.420 5.346 -11.001 1.00 0.00 N ATOM 394 CA THR A 25 2.049 6.598 -10.355 1.00 0.00 C ATOM 395 C THR A 25 1.338 6.364 -9.025 1.00 0.00 C ATOM 396 O THR A 25 0.971 5.235 -8.700 1.00 0.00 O ATOM 397 CB THR A 25 1.142 7.445 -11.273 1.00 0.00 C ATOM 398 OG1 THR A 25 0.000 6.677 -11.679 1.00 0.00 O ATOM 399 CG2 THR A 25 1.906 7.922 -12.501 1.00 0.00 C ATOM 0 H THR A 25 1.808 5.077 -11.771 1.00 0.00 H new ATOM 0 HA THR A 25 2.977 7.137 -10.161 1.00 0.00 H new ATOM 0 HB THR A 25 0.809 8.319 -10.712 1.00 0.00 H new ATOM 0 HG1 THR A 25 -0.571 7.222 -12.260 1.00 0.00 H new ATOM 0 HG21 THR A 25 1.246 8.517 -13.132 1.00 0.00 H new ATOM 0 HG22 THR A 25 2.754 8.531 -12.188 1.00 0.00 H new ATOM 0 HG23 THR A 25 2.266 7.060 -13.063 1.00 0.00 H new ATOM 407 N THR A 26 1.157 7.444 -8.267 1.00 0.00 N ATOM 408 CA THR A 26 0.475 7.406 -6.975 1.00 0.00 C ATOM 409 C THR A 26 -0.865 6.673 -7.058 1.00 0.00 C ATOM 410 O THR A 26 -1.164 5.807 -6.235 1.00 0.00 O ATOM 411 CB THR A 26 0.231 8.840 -6.468 1.00 0.00 C ATOM 412 OG1 THR A 26 1.353 9.664 -6.811 1.00 0.00 O ATOM 413 CG2 THR A 26 0.017 8.859 -4.962 1.00 0.00 C ATOM 0 H THR A 26 1.481 8.374 -8.533 1.00 0.00 H new ATOM 0 HA THR A 26 1.120 6.864 -6.283 1.00 0.00 H new ATOM 0 HB THR A 26 -0.670 9.227 -6.943 1.00 0.00 H new ATOM 0 HG1 THR A 26 1.181 10.586 -6.526 1.00 0.00 H new ATOM 0 HG21 THR A 26 -0.153 9.884 -4.632 1.00 0.00 H new ATOM 0 HG22 THR A 26 -0.850 8.248 -4.710 1.00 0.00 H new ATOM 0 HG23 THR A 26 0.900 8.459 -4.464 1.00 0.00 H new ATOM 421 N ILE A 27 -1.652 7.005 -8.074 1.00 0.00 N ATOM 422 CA ILE A 27 -2.979 6.423 -8.237 1.00 0.00 C ATOM 423 C ILE A 27 -2.884 4.935 -8.553 1.00 0.00 C ATOM 424 O ILE A 27 -3.620 4.124 -7.991 1.00 0.00 O ATOM 425 CB ILE A 27 -3.775 7.148 -9.342 1.00 0.00 C ATOM 426 CG1 ILE A 27 -4.000 8.613 -8.958 1.00 0.00 C ATOM 427 CG2 ILE A 27 -5.103 6.453 -9.603 1.00 0.00 C ATOM 428 CD1 ILE A 27 -4.751 8.807 -7.658 1.00 0.00 C ATOM 0 H ILE A 27 -1.394 7.675 -8.798 1.00 0.00 H new ATOM 0 HA ILE A 27 -3.510 6.548 -7.293 1.00 0.00 H new ATOM 0 HB ILE A 27 -3.192 7.113 -10.262 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -3.033 9.110 -8.883 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -4.550 9.106 -9.759 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -5.644 6.984 -10.386 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -4.920 5.426 -9.921 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -5.698 6.450 -8.689 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -4.867 9.873 -7.461 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -5.734 8.342 -7.733 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -4.193 8.346 -6.843 1.00 0.00 H new ATOM 440 N GLU A 28 -1.964 4.580 -9.438 1.00 0.00 N ATOM 441 CA GLU A 28 -1.740 3.185 -9.782 1.00 0.00 C ATOM 442 C GLU A 28 -1.258 2.413 -8.556 1.00 0.00 C ATOM 443 O GLU A 28 -1.687 1.284 -8.303 1.00 0.00 O ATOM 444 CB GLU A 28 -0.712 3.075 -10.910 1.00 0.00 C ATOM 445 CG GLU A 28 -1.127 3.767 -12.199 1.00 0.00 C ATOM 446 CD GLU A 28 -2.378 3.169 -12.801 1.00 0.00 C ATOM 447 OE1 GLU A 28 -2.269 2.143 -13.504 1.00 0.00 O ATOM 448 OE2 GLU A 28 -3.472 3.721 -12.581 1.00 0.00 O ATOM 0 H GLU A 28 -1.361 5.239 -9.930 1.00 0.00 H new ATOM 0 HA GLU A 28 -2.681 2.754 -10.123 1.00 0.00 H new ATOM 0 HB2 GLU A 28 0.232 3.501 -10.569 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -0.529 2.021 -11.119 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -1.293 4.826 -12.002 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -0.313 3.701 -12.921 1.00 0.00 H new ATOM 455 N LEU A 29 -0.367 3.042 -7.796 1.00 0.00 N ATOM 456 CA LEU A 29 0.150 2.457 -6.568 1.00 0.00 C ATOM 457 C LEU A 29 -0.982 2.218 -5.581 1.00 0.00 C ATOM 458 O LEU A 29 -1.029 1.179 -4.931 1.00 0.00 O ATOM 459 CB LEU A 29 1.213 3.368 -5.952 1.00 0.00 C ATOM 460 CG LEU A 29 1.829 2.868 -4.644 1.00 0.00 C ATOM 461 CD1 LEU A 29 2.550 1.546 -4.860 1.00 0.00 C ATOM 462 CD2 LEU A 29 2.778 3.910 -4.079 1.00 0.00 C ATOM 0 H LEU A 29 0.013 3.963 -8.013 1.00 0.00 H new ATOM 0 HA LEU A 29 0.612 1.498 -6.805 1.00 0.00 H new ATOM 0 HB2 LEU A 29 2.012 3.509 -6.680 1.00 0.00 H new ATOM 0 HB3 LEU A 29 0.769 4.347 -5.773 1.00 0.00 H new ATOM 0 HG LEU A 29 1.027 2.702 -3.924 1.00 0.00 H new ATOM 0 HD11 LEU A 29 2.981 1.208 -3.917 1.00 0.00 H new ATOM 0 HD12 LEU A 29 1.842 0.801 -5.223 1.00 0.00 H new ATOM 0 HD13 LEU A 29 3.344 1.680 -5.594 1.00 0.00 H new ATOM 0 HD21 LEU A 29 3.210 3.542 -3.148 1.00 0.00 H new ATOM 0 HD22 LEU A 29 3.575 4.104 -4.797 1.00 0.00 H new ATOM 0 HD23 LEU A 29 2.231 4.833 -3.886 1.00 0.00 H new ATOM 474 N LEU A 30 -1.894 3.179 -5.484 1.00 0.00 N ATOM 475 CA LEU A 30 -3.077 3.035 -4.644 1.00 0.00 C ATOM 476 C LEU A 30 -3.835 1.761 -4.988 1.00 0.00 C ATOM 477 O LEU A 30 -4.117 0.946 -4.118 1.00 0.00 O ATOM 478 CB LEU A 30 -4.002 4.246 -4.806 1.00 0.00 C ATOM 479 CG LEU A 30 -3.703 5.418 -3.875 1.00 0.00 C ATOM 480 CD1 LEU A 30 -4.532 6.635 -4.256 1.00 0.00 C ATOM 481 CD2 LEU A 30 -3.985 5.018 -2.436 1.00 0.00 C ATOM 0 H LEU A 30 -1.836 4.069 -5.979 1.00 0.00 H new ATOM 0 HA LEU A 30 -2.745 2.976 -3.607 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -3.940 4.596 -5.837 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -5.030 3.923 -4.640 1.00 0.00 H new ATOM 0 HG LEU A 30 -2.650 5.681 -3.973 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -4.303 7.458 -3.579 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -4.297 6.930 -5.279 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -5.592 6.390 -4.184 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -3.770 5.858 -1.776 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -5.033 4.737 -2.335 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -3.354 4.172 -2.163 1.00 0.00 H new ATOM 493 N GLU A 31 -4.134 1.593 -6.265 1.00 0.00 N ATOM 494 CA GLU A 31 -4.882 0.436 -6.741 1.00 0.00 C ATOM 495 C GLU A 31 -4.176 -0.872 -6.383 1.00 0.00 C ATOM 496 O GLU A 31 -4.821 -1.847 -5.992 1.00 0.00 O ATOM 497 CB GLU A 31 -5.074 0.552 -8.248 1.00 0.00 C ATOM 498 CG GLU A 31 -5.914 1.753 -8.645 1.00 0.00 C ATOM 499 CD GLU A 31 -7.396 1.465 -8.602 1.00 0.00 C ATOM 500 OE1 GLU A 31 -7.934 0.960 -9.609 1.00 0.00 O ATOM 501 OE2 GLU A 31 -8.033 1.743 -7.569 1.00 0.00 O ATOM 0 H GLU A 31 -3.868 2.249 -6.999 1.00 0.00 H new ATOM 0 HA GLU A 31 -5.855 0.420 -6.250 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -4.099 0.622 -8.729 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -5.549 -0.356 -8.620 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -5.690 2.585 -7.978 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -5.638 2.068 -9.651 1.00 0.00 H new ATOM 508 N LYS A 32 -2.852 -0.884 -6.505 1.00 0.00 N ATOM 509 CA LYS A 32 -2.060 -2.049 -6.128 1.00 0.00 C ATOM 510 C LYS A 32 -2.076 -2.244 -4.612 1.00 0.00 C ATOM 511 O LYS A 32 -2.410 -3.324 -4.123 1.00 0.00 O ATOM 512 CB LYS A 32 -0.618 -1.901 -6.632 1.00 0.00 C ATOM 513 CG LYS A 32 0.321 -2.988 -6.128 1.00 0.00 C ATOM 514 CD LYS A 32 1.723 -2.837 -6.702 1.00 0.00 C ATOM 515 CE LYS A 32 1.788 -3.247 -8.164 1.00 0.00 C ATOM 516 NZ LYS A 32 1.547 -4.703 -8.346 1.00 0.00 N ATOM 0 H LYS A 32 -2.306 -0.100 -6.862 1.00 0.00 H new ATOM 0 HA LYS A 32 -2.503 -2.930 -6.593 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -0.621 -1.912 -7.722 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -0.233 -0.929 -6.324 1.00 0.00 H new ATOM 0 HG2 LYS A 32 0.368 -2.951 -5.040 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -0.078 -3.966 -6.397 1.00 0.00 H new ATOM 0 HD2 LYS A 32 2.046 -1.801 -6.602 1.00 0.00 H new ATOM 0 HD3 LYS A 32 2.419 -3.445 -6.124 1.00 0.00 H new ATOM 0 HE2 LYS A 32 1.048 -2.683 -8.732 1.00 0.00 H new ATOM 0 HE3 LYS A 32 2.766 -2.988 -8.570 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 1.845 -4.988 -9.301 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 2.093 -5.236 -7.639 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 0.534 -4.905 -8.225 1.00 0.00 H new ATOM 530 N LEU A 33 -1.737 -1.184 -3.879 1.00 0.00 N ATOM 531 CA LEU A 33 -1.663 -1.236 -2.420 1.00 0.00 C ATOM 532 C LEU A 33 -2.971 -1.708 -1.807 1.00 0.00 C ATOM 533 O LEU A 33 -2.968 -2.566 -0.933 1.00 0.00 O ATOM 534 CB LEU A 33 -1.305 0.134 -1.839 1.00 0.00 C ATOM 535 CG LEU A 33 0.143 0.579 -2.043 1.00 0.00 C ATOM 536 CD1 LEU A 33 0.354 1.971 -1.476 1.00 0.00 C ATOM 537 CD2 LEU A 33 1.105 -0.404 -1.394 1.00 0.00 C ATOM 0 H LEU A 33 -1.508 -0.273 -4.276 1.00 0.00 H new ATOM 0 HA LEU A 33 -0.880 -1.953 -2.171 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -1.962 0.881 -2.285 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -1.515 0.122 -0.770 1.00 0.00 H new ATOM 0 HG LEU A 33 0.345 0.602 -3.114 1.00 0.00 H new ATOM 0 HD11 LEU A 33 1.390 2.273 -1.629 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -0.308 2.674 -1.982 1.00 0.00 H new ATOM 0 HD13 LEU A 33 0.131 1.967 -0.409 1.00 0.00 H new ATOM 0 HD21 LEU A 33 2.130 -0.068 -1.551 1.00 0.00 H new ATOM 0 HD22 LEU A 33 0.902 -0.460 -0.325 1.00 0.00 H new ATOM 0 HD23 LEU A 33 0.974 -1.390 -1.840 1.00 0.00 H new ATOM 549 N LYS A 34 -4.081 -1.148 -2.275 1.00 0.00 N ATOM 550 CA LYS A 34 -5.395 -1.490 -1.740 1.00 0.00 C ATOM 551 C LYS A 34 -5.667 -2.986 -1.872 1.00 0.00 C ATOM 552 O LYS A 34 -6.170 -3.614 -0.943 1.00 0.00 O ATOM 553 CB LYS A 34 -6.494 -0.683 -2.446 1.00 0.00 C ATOM 554 CG LYS A 34 -6.361 0.822 -2.250 1.00 0.00 C ATOM 555 CD LYS A 34 -7.473 1.595 -2.943 1.00 0.00 C ATOM 556 CE LYS A 34 -7.622 1.191 -4.392 1.00 0.00 C ATOM 557 NZ LYS A 34 -8.737 1.915 -5.052 1.00 0.00 N ATOM 0 H LYS A 34 -4.098 -0.455 -3.024 1.00 0.00 H new ATOM 0 HA LYS A 34 -5.402 -1.234 -0.680 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -6.470 -0.906 -3.513 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -7.467 -1.006 -2.075 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -6.373 1.050 -1.184 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -5.397 1.153 -2.636 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -8.414 1.425 -2.420 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -7.264 2.663 -2.884 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -6.692 1.393 -4.923 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -7.798 0.117 -4.454 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -8.474 2.136 -6.034 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -9.589 1.319 -5.048 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -8.930 2.798 -4.538 1.00 0.00 H new ATOM 571 N GLY A 35 -5.292 -3.557 -3.011 1.00 0.00 N ATOM 572 CA GLY A 35 -5.505 -4.974 -3.238 1.00 0.00 C ATOM 573 C GLY A 35 -4.624 -5.840 -2.358 1.00 0.00 C ATOM 574 O GLY A 35 -5.096 -6.792 -1.725 1.00 0.00 O ATOM 0 H GLY A 35 -4.844 -3.063 -3.782 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -6.551 -5.216 -3.050 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -5.307 -5.205 -4.285 1.00 0.00 H new ATOM 578 N GLU A 36 -3.345 -5.498 -2.299 1.00 0.00 N ATOM 579 CA GLU A 36 -2.385 -6.255 -1.505 1.00 0.00 C ATOM 580 C GLU A 36 -2.662 -6.067 -0.016 1.00 0.00 C ATOM 581 O GLU A 36 -2.218 -6.854 0.819 1.00 0.00 O ATOM 582 CB GLU A 36 -0.953 -5.828 -1.838 1.00 0.00 C ATOM 583 CG GLU A 36 -0.640 -5.833 -3.330 1.00 0.00 C ATOM 584 CD GLU A 36 -1.059 -7.118 -4.018 1.00 0.00 C ATOM 585 OE1 GLU A 36 -0.265 -8.081 -4.044 1.00 0.00 O ATOM 586 OE2 GLU A 36 -2.194 -7.176 -4.533 1.00 0.00 O ATOM 0 H GLU A 36 -2.946 -4.699 -2.792 1.00 0.00 H new ATOM 0 HA GLU A 36 -2.494 -7.312 -1.750 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -0.782 -4.826 -1.444 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -0.257 -6.495 -1.328 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -1.145 -4.992 -3.805 1.00 0.00 H new ATOM 0 HG3 GLU A 36 0.430 -5.683 -3.472 1.00 0.00 H new ATOM 593 N LEU A 37 -3.395 -5.013 0.304 1.00 0.00 N ATOM 594 CA LEU A 37 -3.771 -4.718 1.676 1.00 0.00 C ATOM 595 C LEU A 37 -5.028 -5.487 2.083 1.00 0.00 C ATOM 596 O LEU A 37 -5.097 -6.035 3.181 1.00 0.00 O ATOM 597 CB LEU A 37 -4.000 -3.215 1.833 1.00 0.00 C ATOM 598 CG LEU A 37 -4.417 -2.747 3.221 1.00 0.00 C ATOM 599 CD1 LEU A 37 -3.375 -3.132 4.257 1.00 0.00 C ATOM 600 CD2 LEU A 37 -4.631 -1.244 3.212 1.00 0.00 C ATOM 0 H LEU A 37 -3.745 -4.340 -0.378 1.00 0.00 H new ATOM 0 HA LEU A 37 -2.959 -5.034 2.331 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -3.082 -2.696 1.556 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -4.766 -2.908 1.122 1.00 0.00 H new ATOM 0 HG LEU A 37 -5.353 -3.237 3.490 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -3.695 -2.787 5.240 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -3.260 -4.216 4.272 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -2.421 -2.670 4.003 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -4.929 -0.913 4.207 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -3.704 -0.746 2.927 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -5.413 -0.992 2.496 1.00 0.00 H new ATOM 612 N GLU A 38 -6.015 -5.537 1.191 1.00 0.00 N ATOM 613 CA GLU A 38 -7.288 -6.183 1.500 1.00 0.00 C ATOM 614 C GLU A 38 -7.137 -7.699 1.584 1.00 0.00 C ATOM 615 O GLU A 38 -7.964 -8.376 2.195 1.00 0.00 O ATOM 616 CB GLU A 38 -8.366 -5.787 0.476 1.00 0.00 C ATOM 617 CG GLU A 38 -8.022 -6.107 -0.971 1.00 0.00 C ATOM 618 CD GLU A 38 -8.674 -7.379 -1.470 1.00 0.00 C ATOM 619 OE1 GLU A 38 -9.833 -7.310 -1.931 1.00 0.00 O ATOM 620 OE2 GLU A 38 -8.034 -8.448 -1.420 1.00 0.00 O ATOM 0 H GLU A 38 -5.958 -5.140 0.253 1.00 0.00 H new ATOM 0 HA GLU A 38 -7.610 -5.832 2.481 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -9.296 -6.294 0.734 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -8.552 -4.717 0.562 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -8.331 -5.275 -1.604 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -6.940 -6.198 -1.069 1.00 0.00 H new ATOM 627 N LYS A 39 -6.079 -8.236 0.976 1.00 0.00 N ATOM 628 CA LYS A 39 -5.795 -9.663 1.093 1.00 0.00 C ATOM 629 C LYS A 39 -5.160 -9.973 2.453 1.00 0.00 C ATOM 630 O LYS A 39 -4.986 -11.136 2.820 1.00 0.00 O ATOM 631 CB LYS A 39 -4.887 -10.142 -0.047 1.00 0.00 C ATOM 632 CG LYS A 39 -3.507 -9.507 -0.044 1.00 0.00 C ATOM 633 CD LYS A 39 -2.679 -9.940 -1.248 1.00 0.00 C ATOM 634 CE LYS A 39 -3.355 -9.559 -2.557 1.00 0.00 C ATOM 635 NZ LYS A 39 -2.492 -9.821 -3.740 1.00 0.00 N ATOM 0 H LYS A 39 -5.415 -7.712 0.406 1.00 0.00 H new ATOM 0 HA LYS A 39 -6.740 -10.202 1.018 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -4.778 -11.225 0.019 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -5.372 -9.928 -0.999 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -3.607 -8.422 -0.044 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -2.984 -9.779 0.873 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -1.693 -9.477 -1.198 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -2.526 -11.019 -1.217 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -4.285 -10.118 -2.658 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -3.620 -8.502 -2.531 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -2.606 -9.051 -4.430 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -1.498 -9.873 -3.440 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -2.769 -10.722 -4.179 1.00 0.00 H new ATOM 649 N ILE A 40 -4.826 -8.925 3.197 1.00 0.00 N ATOM 650 CA ILE A 40 -4.285 -9.069 4.540 1.00 0.00 C ATOM 651 C ILE A 40 -5.409 -8.957 5.561 1.00 0.00 C ATOM 652 O ILE A 40 -6.355 -8.189 5.377 1.00 0.00 O ATOM 653 CB ILE A 40 -3.200 -8.000 4.834 1.00 0.00 C ATOM 654 CG1 ILE A 40 -1.984 -8.235 3.942 1.00 0.00 C ATOM 655 CG2 ILE A 40 -2.788 -8.015 6.303 1.00 0.00 C ATOM 656 CD1 ILE A 40 -0.902 -7.194 4.106 1.00 0.00 C ATOM 0 H ILE A 40 -4.922 -7.958 2.887 1.00 0.00 H new ATOM 0 HA ILE A 40 -3.817 -10.051 4.612 1.00 0.00 H new ATOM 0 HB ILE A 40 -3.622 -7.019 4.617 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -1.567 -9.218 4.162 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -2.306 -8.251 2.901 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -2.027 -7.254 6.475 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -3.657 -7.806 6.927 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -2.386 -8.995 6.558 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -0.070 -7.426 3.441 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -1.302 -6.211 3.857 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -0.552 -7.193 5.138 1.00 0.00 H new ATOM 668 N SER A 41 -5.323 -9.746 6.621 1.00 0.00 N ATOM 669 CA SER A 41 -6.318 -9.706 7.676 1.00 0.00 C ATOM 670 C SER A 41 -6.249 -8.368 8.411 1.00 0.00 C ATOM 671 O SER A 41 -5.163 -7.882 8.739 1.00 0.00 O ATOM 672 CB SER A 41 -6.104 -10.870 8.650 1.00 0.00 C ATOM 673 OG SER A 41 -7.158 -10.953 9.594 1.00 0.00 O ATOM 0 H SER A 41 -4.573 -10.421 6.771 1.00 0.00 H new ATOM 0 HA SER A 41 -7.309 -9.807 7.233 1.00 0.00 H new ATOM 0 HB2 SER A 41 -6.037 -11.805 8.093 1.00 0.00 H new ATOM 0 HB3 SER A 41 -5.156 -10.741 9.171 1.00 0.00 H new ATOM 0 HG SER A 41 -6.814 -10.743 10.487 1.00 0.00 H new ATOM 679 N PHE A 42 -7.410 -7.780 8.668 1.00 0.00 N ATOM 680 CA PHE A 42 -7.486 -6.483 9.333 1.00 0.00 C ATOM 681 C PHE A 42 -7.023 -6.575 10.783 1.00 0.00 C ATOM 682 O PHE A 42 -6.833 -5.559 11.448 1.00 0.00 O ATOM 683 CB PHE A 42 -8.907 -5.922 9.266 1.00 0.00 C ATOM 684 CG PHE A 42 -9.316 -5.478 7.888 1.00 0.00 C ATOM 685 CD1 PHE A 42 -9.919 -6.360 7.007 1.00 0.00 C ATOM 686 CD2 PHE A 42 -9.093 -4.174 7.477 1.00 0.00 C ATOM 687 CE1 PHE A 42 -10.292 -5.951 5.741 1.00 0.00 C ATOM 688 CE2 PHE A 42 -9.465 -3.759 6.213 1.00 0.00 C ATOM 689 CZ PHE A 42 -10.063 -4.648 5.344 1.00 0.00 C ATOM 0 H PHE A 42 -8.316 -8.181 8.426 1.00 0.00 H new ATOM 0 HA PHE A 42 -6.816 -5.803 8.806 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -9.605 -6.682 9.616 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -8.987 -5.077 9.950 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -10.100 -7.380 7.313 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -8.623 -3.474 8.152 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -10.762 -6.649 5.063 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -9.288 -2.739 5.905 1.00 0.00 H new ATOM 0 HZ PHE A 42 -10.352 -4.326 4.355 1.00 0.00 H new ATOM 699 N SER A 43 -6.846 -7.793 11.268 1.00 0.00 N ATOM 700 CA SER A 43 -6.331 -8.019 12.609 1.00 0.00 C ATOM 701 C SER A 43 -4.807 -7.951 12.626 1.00 0.00 C ATOM 702 O SER A 43 -4.191 -7.846 13.685 1.00 0.00 O ATOM 703 CB SER A 43 -6.795 -9.388 13.104 1.00 0.00 C ATOM 704 OG SER A 43 -6.465 -10.409 12.168 1.00 0.00 O ATOM 0 H SER A 43 -7.053 -8.646 10.749 1.00 0.00 H new ATOM 0 HA SER A 43 -6.713 -7.239 13.267 1.00 0.00 H new ATOM 0 HB2 SER A 43 -6.331 -9.607 14.065 1.00 0.00 H new ATOM 0 HB3 SER A 43 -7.873 -9.374 13.267 1.00 0.00 H new ATOM 0 HG SER A 43 -5.494 -10.428 12.034 1.00 0.00 H new ATOM 710 N ASP A 44 -4.206 -8.003 11.446 1.00 0.00 N ATOM 711 CA ASP A 44 -2.759 -8.122 11.335 1.00 0.00 C ATOM 712 C ASP A 44 -2.130 -6.845 10.794 1.00 0.00 C ATOM 713 O ASP A 44 -1.045 -6.452 11.228 1.00 0.00 O ATOM 714 CB ASP A 44 -2.396 -9.312 10.440 1.00 0.00 C ATOM 715 CG ASP A 44 -2.814 -10.641 11.044 1.00 0.00 C ATOM 716 OD1 ASP A 44 -4.031 -10.937 11.065 1.00 0.00 O ATOM 717 OD2 ASP A 44 -1.931 -11.397 11.500 1.00 0.00 O ATOM 0 H ASP A 44 -4.697 -7.965 10.553 1.00 0.00 H new ATOM 0 HA ASP A 44 -2.360 -8.289 12.336 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -2.875 -9.191 9.468 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -1.320 -9.317 10.267 1.00 0.00 H new ATOM 722 N LEU A 45 -2.805 -6.201 9.847 1.00 0.00 N ATOM 723 CA LEU A 45 -2.310 -4.956 9.269 1.00 0.00 C ATOM 724 C LEU A 45 -2.223 -3.852 10.330 1.00 0.00 C ATOM 725 O LEU A 45 -2.937 -3.896 11.333 1.00 0.00 O ATOM 726 CB LEU A 45 -3.187 -4.534 8.073 1.00 0.00 C ATOM 727 CG LEU A 45 -4.706 -4.600 8.283 1.00 0.00 C ATOM 728 CD1 LEU A 45 -5.208 -3.412 9.090 1.00 0.00 C ATOM 729 CD2 LEU A 45 -5.418 -4.669 6.939 1.00 0.00 C ATOM 0 H LEU A 45 -3.695 -6.520 9.464 1.00 0.00 H new ATOM 0 HA LEU A 45 -1.299 -5.123 8.898 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -2.924 -3.512 7.800 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -2.932 -5.166 7.223 1.00 0.00 H new ATOM 0 HG LEU A 45 -4.929 -5.503 8.851 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -6.287 -3.490 9.220 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -4.724 -3.405 10.067 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -4.972 -2.488 8.562 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -6.495 -4.716 7.100 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -5.177 -3.782 6.353 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -5.093 -5.559 6.400 1.00 0.00 H new ATOM 741 N PRO A 46 -1.318 -2.870 10.130 1.00 0.00 N ATOM 742 CA PRO A 46 -1.080 -1.772 11.083 1.00 0.00 C ATOM 743 C PRO A 46 -2.358 -1.140 11.631 1.00 0.00 C ATOM 744 O PRO A 46 -3.357 -1.005 10.919 1.00 0.00 O ATOM 745 CB PRO A 46 -0.305 -0.756 10.247 1.00 0.00 C ATOM 746 CG PRO A 46 0.450 -1.586 9.271 1.00 0.00 C ATOM 747 CD PRO A 46 -0.436 -2.758 8.950 1.00 0.00 C ATOM 0 HA PRO A 46 -0.558 -2.127 11.972 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -0.976 -0.060 9.743 1.00 0.00 H new ATOM 0 HB3 PRO A 46 0.366 -0.160 10.866 1.00 0.00 H new ATOM 0 HG2 PRO A 46 0.683 -1.016 8.372 1.00 0.00 H new ATOM 0 HG3 PRO A 46 1.399 -1.918 9.693 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -1.008 -2.588 8.038 1.00 0.00 H new ATOM 0 HD3 PRO A 46 0.145 -3.668 8.797 1.00 0.00 H new ATOM 755 N LEU A 47 -2.300 -0.730 12.894 1.00 0.00 N ATOM 756 CA LEU A 47 -3.452 -0.158 13.586 1.00 0.00 C ATOM 757 C LEU A 47 -3.947 1.102 12.885 1.00 0.00 C ATOM 758 O LEU A 47 -5.134 1.413 12.925 1.00 0.00 O ATOM 759 CB LEU A 47 -3.096 0.161 15.040 1.00 0.00 C ATOM 760 CG LEU A 47 -4.261 0.648 15.905 1.00 0.00 C ATOM 761 CD1 LEU A 47 -5.295 -0.452 16.087 1.00 0.00 C ATOM 762 CD2 LEU A 47 -3.757 1.126 17.254 1.00 0.00 C ATOM 0 H LEU A 47 -1.457 -0.784 13.466 1.00 0.00 H new ATOM 0 HA LEU A 47 -4.253 -0.897 13.567 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -2.673 -0.733 15.498 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -2.316 0.922 15.048 1.00 0.00 H new ATOM 0 HG LEU A 47 -4.737 1.485 15.394 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -6.114 -0.083 16.705 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -5.682 -0.752 15.113 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -4.831 -1.310 16.573 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -4.598 1.469 17.856 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -3.255 0.305 17.766 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -3.055 1.948 17.110 1.00 0.00 H new ATOM 774 N GLU A 48 -3.031 1.827 12.248 1.00 0.00 N ATOM 775 CA GLU A 48 -3.390 2.991 11.434 1.00 0.00 C ATOM 776 C GLU A 48 -4.474 2.627 10.421 1.00 0.00 C ATOM 777 O GLU A 48 -5.454 3.357 10.233 1.00 0.00 O ATOM 778 CB GLU A 48 -2.156 3.512 10.690 1.00 0.00 C ATOM 779 CG GLU A 48 -1.098 4.109 11.598 1.00 0.00 C ATOM 780 CD GLU A 48 -1.558 5.392 12.253 1.00 0.00 C ATOM 781 OE1 GLU A 48 -2.176 5.324 13.335 1.00 0.00 O ATOM 782 OE2 GLU A 48 -1.300 6.472 11.682 1.00 0.00 O ATOM 0 H GLU A 48 -2.031 1.630 12.279 1.00 0.00 H new ATOM 0 HA GLU A 48 -3.772 3.767 12.098 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -1.714 2.693 10.122 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -2.470 4.267 9.969 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -0.834 3.385 12.369 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -0.194 4.303 11.020 1.00 0.00 H new ATOM 789 N LEU A 49 -4.308 1.470 9.803 1.00 0.00 N ATOM 790 CA LEU A 49 -5.207 1.019 8.755 1.00 0.00 C ATOM 791 C LEU A 49 -6.484 0.463 9.371 1.00 0.00 C ATOM 792 O LEU A 49 -7.500 0.325 8.704 1.00 0.00 O ATOM 793 CB LEU A 49 -4.511 -0.041 7.902 1.00 0.00 C ATOM 794 CG LEU A 49 -3.093 0.327 7.454 1.00 0.00 C ATOM 795 CD1 LEU A 49 -2.482 -0.796 6.639 1.00 0.00 C ATOM 796 CD2 LEU A 49 -3.100 1.622 6.655 1.00 0.00 C ATOM 0 H LEU A 49 -3.550 0.820 10.012 1.00 0.00 H new ATOM 0 HA LEU A 49 -5.472 1.861 8.116 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -4.469 -0.972 8.467 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -5.119 -0.232 7.018 1.00 0.00 H new ATOM 0 HG LEU A 49 -2.483 0.477 8.345 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -1.475 -0.515 6.330 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -2.437 -1.702 7.244 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -3.094 -0.980 5.756 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -2.083 1.865 6.347 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -3.728 1.501 5.772 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -3.494 2.429 7.273 1.00 0.00 H new ATOM 808 N GLN A 50 -6.417 0.159 10.661 1.00 0.00 N ATOM 809 CA GLN A 50 -7.582 -0.304 11.402 1.00 0.00 C ATOM 810 C GLN A 50 -8.431 0.889 11.832 1.00 0.00 C ATOM 811 O GLN A 50 -9.609 0.747 12.171 1.00 0.00 O ATOM 812 CB GLN A 50 -7.156 -1.105 12.630 1.00 0.00 C ATOM 813 CG GLN A 50 -6.274 -2.292 12.302 1.00 0.00 C ATOM 814 CD GLN A 50 -5.890 -3.082 13.533 1.00 0.00 C ATOM 815 OE1 GLN A 50 -6.646 -3.150 14.505 1.00 0.00 O ATOM 816 NE2 GLN A 50 -4.715 -3.688 13.500 1.00 0.00 N ATOM 0 H GLN A 50 -5.564 0.225 11.217 1.00 0.00 H new ATOM 0 HA GLN A 50 -8.171 -0.951 10.752 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -6.624 -0.446 13.317 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -8.046 -1.457 13.151 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -6.794 -2.946 11.602 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -5.371 -1.943 11.801 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -4.121 -3.605 12.675 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -4.403 -4.239 14.300 1.00 0.00 H new ATOM 825 N LYS A 51 -7.815 2.064 11.828 1.00 0.00 N ATOM 826 CA LYS A 51 -8.510 3.298 12.169 1.00 0.00 C ATOM 827 C LYS A 51 -9.249 3.829 10.952 1.00 0.00 C ATOM 828 O LYS A 51 -10.325 4.413 11.067 1.00 0.00 O ATOM 829 CB LYS A 51 -7.518 4.350 12.669 1.00 0.00 C ATOM 830 CG LYS A 51 -6.704 3.896 13.866 1.00 0.00 C ATOM 831 CD LYS A 51 -5.588 4.875 14.179 1.00 0.00 C ATOM 832 CE LYS A 51 -4.698 4.362 15.299 1.00 0.00 C ATOM 833 NZ LYS A 51 -3.567 5.284 15.578 1.00 0.00 N ATOM 0 H LYS A 51 -6.831 2.188 11.591 1.00 0.00 H new ATOM 0 HA LYS A 51 -9.226 3.085 12.963 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -6.840 4.613 11.857 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -8.064 5.256 12.934 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -7.356 3.795 14.734 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -6.281 2.911 13.668 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -4.989 5.044 13.284 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -6.015 5.837 14.463 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -5.292 4.233 16.204 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -4.308 3.380 15.031 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -3.149 5.051 16.502 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -2.845 5.183 14.836 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -3.914 6.264 15.592 1.00 0.00 H new ATOM 847 N LEU A 52 -8.658 3.624 9.786 1.00 0.00 N ATOM 848 CA LEU A 52 -9.274 4.040 8.534 1.00 0.00 C ATOM 849 C LEU A 52 -10.237 2.965 8.035 1.00 0.00 C ATOM 850 O LEU A 52 -9.919 1.778 8.052 1.00 0.00 O ATOM 851 CB LEU A 52 -8.190 4.321 7.492 1.00 0.00 C ATOM 852 CG LEU A 52 -7.146 5.354 7.921 1.00 0.00 C ATOM 853 CD1 LEU A 52 -6.019 5.433 6.906 1.00 0.00 C ATOM 854 CD2 LEU A 52 -7.796 6.720 8.107 1.00 0.00 C ATOM 0 H LEU A 52 -7.750 3.171 9.679 1.00 0.00 H new ATOM 0 HA LEU A 52 -9.843 4.955 8.702 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -7.681 3.387 7.255 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -8.667 4.666 6.575 1.00 0.00 H new ATOM 0 HG LEU A 52 -6.723 5.039 8.875 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -5.288 6.173 7.231 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -5.536 4.459 6.822 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -6.423 5.723 5.936 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -7.040 7.444 8.412 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -8.246 7.040 7.167 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -8.567 6.655 8.875 1.00 0.00 H new ATOM 866 N ASP A 53 -11.420 3.384 7.609 1.00 0.00 N ATOM 867 CA ASP A 53 -12.448 2.449 7.165 1.00 0.00 C ATOM 868 C ASP A 53 -12.361 2.203 5.660 1.00 0.00 C ATOM 869 O ASP A 53 -12.680 1.115 5.178 1.00 0.00 O ATOM 870 CB ASP A 53 -13.840 2.984 7.522 1.00 0.00 C ATOM 871 CG ASP A 53 -14.203 4.244 6.760 1.00 0.00 C ATOM 872 OD1 ASP A 53 -13.867 5.348 7.237 1.00 0.00 O ATOM 873 OD2 ASP A 53 -14.826 4.137 5.682 1.00 0.00 O ATOM 0 H ASP A 53 -11.693 4.365 7.561 1.00 0.00 H new ATOM 0 HA ASP A 53 -12.281 1.502 7.677 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -14.583 2.214 7.315 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -13.882 3.188 8.592 1.00 0.00 H new ATOM 878 N SER A 54 -11.916 3.206 4.920 1.00 0.00 N ATOM 879 CA SER A 54 -11.875 3.112 3.471 1.00 0.00 C ATOM 880 C SER A 54 -10.520 2.591 2.999 1.00 0.00 C ATOM 881 O SER A 54 -9.474 2.993 3.517 1.00 0.00 O ATOM 882 CB SER A 54 -12.181 4.478 2.855 1.00 0.00 C ATOM 883 OG SER A 54 -13.408 4.994 3.355 1.00 0.00 O ATOM 0 H SER A 54 -11.579 4.092 5.298 1.00 0.00 H new ATOM 0 HA SER A 54 -12.634 2.402 3.142 1.00 0.00 H new ATOM 0 HB2 SER A 54 -11.371 5.172 3.079 1.00 0.00 H new ATOM 0 HB3 SER A 54 -12.234 4.389 1.770 1.00 0.00 H new ATOM 0 HG SER A 54 -13.693 4.467 4.130 1.00 0.00 H new ATOM 889 N LEU A 55 -10.552 1.700 2.013 1.00 0.00 N ATOM 890 CA LEU A 55 -9.345 1.054 1.500 1.00 0.00 C ATOM 891 C LEU A 55 -8.374 2.074 0.883 1.00 0.00 C ATOM 892 O LEU A 55 -7.180 2.042 1.186 1.00 0.00 O ATOM 893 CB LEU A 55 -9.718 -0.032 0.476 1.00 0.00 C ATOM 894 CG LEU A 55 -8.669 -1.123 0.266 1.00 0.00 C ATOM 895 CD1 LEU A 55 -8.308 -1.776 1.594 1.00 0.00 C ATOM 896 CD2 LEU A 55 -9.184 -2.163 -0.720 1.00 0.00 C ATOM 0 H LEU A 55 -11.410 1.405 1.548 1.00 0.00 H new ATOM 0 HA LEU A 55 -8.833 0.585 2.340 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -10.648 -0.503 0.794 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -9.915 0.448 -0.482 1.00 0.00 H new ATOM 0 HG LEU A 55 -7.769 -0.669 -0.147 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -7.560 -2.551 1.427 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -7.906 -1.023 2.272 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -9.200 -2.222 2.035 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -8.428 -2.935 -0.862 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -10.096 -2.615 -0.329 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -9.397 -1.684 -1.676 1.00 0.00 H new ATOM 908 N PRO A 56 -8.854 2.994 0.005 1.00 0.00 N ATOM 909 CA PRO A 56 -8.008 4.052 -0.562 1.00 0.00 C ATOM 910 C PRO A 56 -7.328 4.887 0.517 1.00 0.00 C ATOM 911 O PRO A 56 -6.168 5.270 0.379 1.00 0.00 O ATOM 912 CB PRO A 56 -8.981 4.922 -1.371 1.00 0.00 C ATOM 913 CG PRO A 56 -10.345 4.507 -0.933 1.00 0.00 C ATOM 914 CD PRO A 56 -10.225 3.068 -0.533 1.00 0.00 C ATOM 0 HA PRO A 56 -7.199 3.635 -1.162 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -8.813 5.982 -1.179 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -8.849 4.767 -2.442 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -10.690 5.117 -0.099 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -11.069 4.630 -1.739 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -10.969 2.792 0.215 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -10.363 2.399 -1.382 1.00 0.00 H new ATOM 922 N ALA A 57 -8.054 5.148 1.599 1.00 0.00 N ATOM 923 CA ALA A 57 -7.521 5.927 2.707 1.00 0.00 C ATOM 924 C ALA A 57 -6.365 5.190 3.374 1.00 0.00 C ATOM 925 O ALA A 57 -5.316 5.776 3.644 1.00 0.00 O ATOM 926 CB ALA A 57 -8.617 6.232 3.719 1.00 0.00 C ATOM 0 H ALA A 57 -9.014 4.830 1.731 1.00 0.00 H new ATOM 0 HA ALA A 57 -7.143 6.871 2.314 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -8.201 6.815 4.541 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -9.411 6.801 3.235 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -9.025 5.298 4.106 1.00 0.00 H new ATOM 932 N GLN A 58 -6.562 3.898 3.622 1.00 0.00 N ATOM 933 CA GLN A 58 -5.531 3.067 4.232 1.00 0.00 C ATOM 934 C GLN A 58 -4.270 3.052 3.373 1.00 0.00 C ATOM 935 O GLN A 58 -3.170 3.323 3.861 1.00 0.00 O ATOM 936 CB GLN A 58 -6.038 1.637 4.429 1.00 0.00 C ATOM 937 CG GLN A 58 -7.180 1.516 5.424 1.00 0.00 C ATOM 938 CD GLN A 58 -7.692 0.096 5.546 1.00 0.00 C ATOM 939 OE1 GLN A 58 -6.952 -0.863 5.344 1.00 0.00 O ATOM 940 NE2 GLN A 58 -8.959 -0.051 5.893 1.00 0.00 N ATOM 0 H GLN A 58 -7.429 3.404 3.409 1.00 0.00 H new ATOM 0 HA GLN A 58 -5.289 3.494 5.205 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -6.365 1.243 3.467 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -5.210 1.012 4.764 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -6.845 1.864 6.401 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -7.997 2.169 5.116 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -9.543 0.770 6.052 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -9.353 -0.986 6.001 1.00 0.00 H new ATOM 949 N ALA A 59 -4.445 2.759 2.091 1.00 0.00 N ATOM 950 CA ALA A 59 -3.325 2.669 1.164 1.00 0.00 C ATOM 951 C ALA A 59 -2.588 4.000 1.040 1.00 0.00 C ATOM 952 O ALA A 59 -1.359 4.035 0.990 1.00 0.00 O ATOM 953 CB ALA A 59 -3.810 2.201 -0.196 1.00 0.00 C ATOM 0 H ALA A 59 -5.356 2.579 1.668 1.00 0.00 H new ATOM 0 HA ALA A 59 -2.619 1.940 1.561 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -2.965 2.137 -0.881 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -4.274 1.219 -0.099 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -4.540 2.910 -0.586 1.00 0.00 H new ATOM 959 N GLN A 60 -3.337 5.094 0.999 1.00 0.00 N ATOM 960 CA GLN A 60 -2.736 6.416 0.894 1.00 0.00 C ATOM 961 C GLN A 60 -1.949 6.752 2.157 1.00 0.00 C ATOM 962 O GLN A 60 -0.886 7.364 2.085 1.00 0.00 O ATOM 963 CB GLN A 60 -3.803 7.484 0.635 1.00 0.00 C ATOM 964 CG GLN A 60 -3.241 8.898 0.564 1.00 0.00 C ATOM 965 CD GLN A 60 -2.215 9.078 -0.541 1.00 0.00 C ATOM 966 OE1 GLN A 60 -2.297 8.453 -1.598 1.00 0.00 O ATOM 967 NE2 GLN A 60 -1.232 9.931 -0.294 1.00 0.00 N ATOM 0 H GLN A 60 -4.356 5.092 1.037 1.00 0.00 H new ATOM 0 HA GLN A 60 -2.049 6.405 0.048 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -4.314 7.257 -0.301 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -4.552 7.438 1.426 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -4.060 9.600 0.409 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -2.783 9.149 1.521 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -1.201 10.429 0.595 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -0.507 10.089 -0.993 1.00 0.00 H new ATOM 976 N HIS A 61 -2.458 6.323 3.308 1.00 0.00 N ATOM 977 CA HIS A 61 -1.788 6.578 4.580 1.00 0.00 C ATOM 978 C HIS A 61 -0.448 5.852 4.616 1.00 0.00 C ATOM 979 O HIS A 61 0.486 6.272 5.295 1.00 0.00 O ATOM 980 CB HIS A 61 -2.673 6.136 5.747 1.00 0.00 C ATOM 981 CG HIS A 61 -2.251 6.672 7.080 1.00 0.00 C ATOM 982 ND1 HIS A 61 -2.483 7.969 7.467 1.00 0.00 N ATOM 983 CD2 HIS A 61 -1.641 6.074 8.133 1.00 0.00 C ATOM 984 CE1 HIS A 61 -2.038 8.151 8.695 1.00 0.00 C ATOM 985 NE2 HIS A 61 -1.525 7.016 9.125 1.00 0.00 N ATOM 0 H HIS A 61 -3.329 5.799 3.387 1.00 0.00 H new ATOM 0 HA HIS A 61 -1.608 7.649 4.677 1.00 0.00 H new ATOM 0 HB2 HIS A 61 -3.698 6.451 5.550 1.00 0.00 H new ATOM 0 HB3 HIS A 61 -2.678 5.047 5.792 1.00 0.00 H new ATOM 0 HD2 HIS A 61 -1.308 5.048 8.182 1.00 0.00 H new ATOM 0 HE1 HIS A 61 -2.086 9.074 9.254 1.00 0.00 H new ATOM 0 HE2 HIS A 61 -1.110 6.862 10.044 1.00 0.00 H new ATOM 994 N LEU A 62 -0.358 4.756 3.881 1.00 0.00 N ATOM 995 CA LEU A 62 0.915 4.087 3.685 1.00 0.00 C ATOM 996 C LEU A 62 1.850 5.010 2.910 1.00 0.00 C ATOM 997 O LEU A 62 2.967 5.300 3.341 1.00 0.00 O ATOM 998 CB LEU A 62 0.726 2.769 2.924 1.00 0.00 C ATOM 999 CG LEU A 62 -0.104 1.702 3.642 1.00 0.00 C ATOM 1000 CD1 LEU A 62 -0.363 0.520 2.718 1.00 0.00 C ATOM 1001 CD2 LEU A 62 0.607 1.241 4.903 1.00 0.00 C ATOM 0 H LEU A 62 -1.148 4.313 3.412 1.00 0.00 H new ATOM 0 HA LEU A 62 1.349 3.856 4.658 1.00 0.00 H new ATOM 0 HB2 LEU A 62 0.253 2.988 1.967 1.00 0.00 H new ATOM 0 HB3 LEU A 62 1.709 2.352 2.706 1.00 0.00 H new ATOM 0 HG LEU A 62 -1.062 2.139 3.923 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -0.954 -0.230 3.243 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -0.908 0.859 1.837 1.00 0.00 H new ATOM 0 HD13 LEU A 62 0.587 0.083 2.411 1.00 0.00 H new ATOM 0 HD21 LEU A 62 0.005 0.482 5.403 1.00 0.00 H new ATOM 0 HD22 LEU A 62 1.577 0.819 4.640 1.00 0.00 H new ATOM 0 HD23 LEU A 62 0.749 2.090 5.571 1.00 0.00 H new ATOM 1013 N ILE A 63 1.357 5.510 1.788 1.00 0.00 N ATOM 1014 CA ILE A 63 2.132 6.378 0.915 1.00 0.00 C ATOM 1015 C ILE A 63 2.579 7.651 1.636 1.00 0.00 C ATOM 1016 O ILE A 63 3.685 8.146 1.403 1.00 0.00 O ATOM 1017 CB ILE A 63 1.322 6.768 -0.341 1.00 0.00 C ATOM 1018 CG1 ILE A 63 0.800 5.514 -1.048 1.00 0.00 C ATOM 1019 CG2 ILE A 63 2.173 7.598 -1.294 1.00 0.00 C ATOM 1020 CD1 ILE A 63 -0.101 5.809 -2.230 1.00 0.00 C ATOM 0 H ILE A 63 0.410 5.326 1.457 1.00 0.00 H new ATOM 0 HA ILE A 63 3.016 5.814 0.617 1.00 0.00 H new ATOM 0 HB ILE A 63 0.471 7.372 -0.027 1.00 0.00 H new ATOM 0 HG12 ILE A 63 1.648 4.921 -1.389 1.00 0.00 H new ATOM 0 HG13 ILE A 63 0.253 4.904 -0.329 1.00 0.00 H new ATOM 0 HG21 ILE A 63 1.584 7.862 -2.172 1.00 0.00 H new ATOM 0 HG22 ILE A 63 2.501 8.507 -0.790 1.00 0.00 H new ATOM 0 HG23 ILE A 63 3.044 7.019 -1.602 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -0.431 4.872 -2.679 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -0.969 6.375 -1.893 1.00 0.00 H new ATOM 0 HD13 ILE A 63 0.448 6.392 -2.969 1.00 0.00 H new ATOM 1032 N ASP A 64 1.734 8.181 2.515 1.00 0.00 N ATOM 1033 CA ASP A 64 2.039 9.452 3.162 1.00 0.00 C ATOM 1034 C ASP A 64 2.884 9.299 4.430 1.00 0.00 C ATOM 1035 O ASP A 64 3.728 10.154 4.702 1.00 0.00 O ATOM 1036 CB ASP A 64 0.770 10.282 3.456 1.00 0.00 C ATOM 1037 CG ASP A 64 -0.267 9.600 4.332 1.00 0.00 C ATOM 1038 OD1 ASP A 64 0.071 9.141 5.443 1.00 0.00 O ATOM 1039 OD2 ASP A 64 -1.445 9.558 3.921 1.00 0.00 O ATOM 0 H ASP A 64 0.848 7.759 2.792 1.00 0.00 H new ATOM 0 HA ASP A 64 2.643 9.999 2.438 1.00 0.00 H new ATOM 0 HB2 ASP A 64 1.069 11.214 3.935 1.00 0.00 H new ATOM 0 HB3 ASP A 64 0.302 10.547 2.508 1.00 0.00 H new ATOM 1044 N THR A 65 2.696 8.235 5.202 1.00 0.00 N ATOM 1045 CA THR A 65 3.404 8.133 6.478 1.00 0.00 C ATOM 1046 C THR A 65 4.150 6.814 6.698 1.00 0.00 C ATOM 1047 O THR A 65 5.235 6.818 7.279 1.00 0.00 O ATOM 1048 CB THR A 65 2.454 8.377 7.668 1.00 0.00 C ATOM 1049 OG1 THR A 65 1.207 7.705 7.454 1.00 0.00 O ATOM 1050 CG2 THR A 65 2.207 9.864 7.874 1.00 0.00 C ATOM 0 H THR A 65 2.081 7.452 4.980 1.00 0.00 H new ATOM 0 HA THR A 65 4.161 8.915 6.425 1.00 0.00 H new ATOM 0 HB THR A 65 2.929 7.978 8.564 1.00 0.00 H new ATOM 0 HG1 THR A 65 0.734 8.124 6.705 1.00 0.00 H new ATOM 0 HG21 THR A 65 1.534 10.007 8.719 1.00 0.00 H new ATOM 0 HG22 THR A 65 3.154 10.366 8.075 1.00 0.00 H new ATOM 0 HG23 THR A 65 1.756 10.286 6.976 1.00 0.00 H new ATOM 1058 N SER A 66 3.605 5.685 6.251 1.00 0.00 N ATOM 1059 CA SER A 66 4.179 4.396 6.642 1.00 0.00 C ATOM 1060 C SER A 66 4.455 3.489 5.450 1.00 0.00 C ATOM 1061 O SER A 66 3.556 3.150 4.690 1.00 0.00 O ATOM 1062 CB SER A 66 3.232 3.695 7.614 1.00 0.00 C ATOM 1063 OG SER A 66 2.964 4.518 8.739 1.00 0.00 O ATOM 0 H SER A 66 2.792 5.632 5.637 1.00 0.00 H new ATOM 0 HA SER A 66 5.138 4.597 7.119 1.00 0.00 H new ATOM 0 HB2 SER A 66 2.299 3.450 7.107 1.00 0.00 H new ATOM 0 HB3 SER A 66 3.673 2.754 7.943 1.00 0.00 H new ATOM 0 HG SER A 66 2.354 4.051 9.348 1.00 0.00 H new ATOM 1069 N CYS A 67 5.693 3.041 5.328 1.00 0.00 N ATOM 1070 CA CYS A 67 6.060 2.164 4.237 1.00 0.00 C ATOM 1071 C CYS A 67 6.510 0.810 4.771 1.00 0.00 C ATOM 1072 O CYS A 67 7.634 0.654 5.248 1.00 0.00 O ATOM 1073 CB CYS A 67 7.160 2.808 3.392 1.00 0.00 C ATOM 1074 SG CYS A 67 6.702 4.426 2.721 1.00 0.00 S ATOM 0 H CYS A 67 6.454 3.270 5.968 1.00 0.00 H new ATOM 0 HA CYS A 67 5.187 2.005 3.604 1.00 0.00 H new ATOM 0 HB2 CYS A 67 8.058 2.917 4.001 1.00 0.00 H new ATOM 0 HB3 CYS A 67 7.412 2.140 2.568 1.00 0.00 H new ATOM 0 HG CYS A 67 5.928 4.265 1.689 1.00 0.00 H new ATOM 1080 N GLU A 68 5.608 -0.158 4.685 1.00 0.00 N ATOM 1081 CA GLU A 68 5.864 -1.525 5.115 1.00 0.00 C ATOM 1082 C GLU A 68 4.671 -2.377 4.703 1.00 0.00 C ATOM 1083 O GLU A 68 3.546 -2.117 5.134 1.00 0.00 O ATOM 1084 CB GLU A 68 6.074 -1.581 6.639 1.00 0.00 C ATOM 1085 CG GLU A 68 6.718 -2.867 7.151 1.00 0.00 C ATOM 1086 CD GLU A 68 5.773 -4.051 7.164 1.00 0.00 C ATOM 1087 OE1 GLU A 68 4.999 -4.187 8.133 1.00 0.00 O ATOM 1088 OE2 GLU A 68 5.803 -4.855 6.213 1.00 0.00 O ATOM 0 H GLU A 68 4.670 -0.015 4.311 1.00 0.00 H new ATOM 0 HA GLU A 68 6.772 -1.904 4.647 1.00 0.00 H new ATOM 0 HB2 GLU A 68 6.696 -0.737 6.937 1.00 0.00 H new ATOM 0 HB3 GLU A 68 5.109 -1.455 7.129 1.00 0.00 H new ATOM 0 HG2 GLU A 68 7.579 -3.106 6.527 1.00 0.00 H new ATOM 0 HG3 GLU A 68 7.092 -2.700 8.161 1.00 0.00 H new ATOM 1095 N LEU A 69 4.900 -3.365 3.855 1.00 0.00 N ATOM 1096 CA LEU A 69 3.812 -4.195 3.367 1.00 0.00 C ATOM 1097 C LEU A 69 4.326 -5.542 2.881 1.00 0.00 C ATOM 1098 O LEU A 69 5.044 -5.620 1.879 1.00 0.00 O ATOM 1099 CB LEU A 69 3.064 -3.490 2.229 1.00 0.00 C ATOM 1100 CG LEU A 69 1.789 -4.193 1.755 1.00 0.00 C ATOM 1101 CD1 LEU A 69 0.757 -4.232 2.870 1.00 0.00 C ATOM 1102 CD2 LEU A 69 1.218 -3.499 0.529 1.00 0.00 C ATOM 0 H LEU A 69 5.821 -3.611 3.493 1.00 0.00 H new ATOM 0 HA LEU A 69 3.126 -4.362 4.198 1.00 0.00 H new ATOM 0 HB2 LEU A 69 2.805 -2.483 2.555 1.00 0.00 H new ATOM 0 HB3 LEU A 69 3.740 -3.387 1.380 1.00 0.00 H new ATOM 0 HG LEU A 69 2.044 -5.217 1.483 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -0.143 -4.735 2.516 1.00 0.00 H new ATOM 0 HD12 LEU A 69 1.164 -4.774 3.723 1.00 0.00 H new ATOM 0 HD13 LEU A 69 0.509 -3.214 3.172 1.00 0.00 H new ATOM 0 HD21 LEU A 69 0.312 -4.014 0.208 1.00 0.00 H new ATOM 0 HD22 LEU A 69 0.979 -2.464 0.775 1.00 0.00 H new ATOM 0 HD23 LEU A 69 1.952 -3.520 -0.276 1.00 0.00 H new ATOM 1114 N ASP A 70 3.974 -6.591 3.606 1.00 0.00 N ATOM 1115 CA ASP A 70 4.224 -7.949 3.155 1.00 0.00 C ATOM 1116 C ASP A 70 2.952 -8.485 2.517 1.00 0.00 C ATOM 1117 O ASP A 70 1.922 -8.607 3.180 1.00 0.00 O ATOM 1118 CB ASP A 70 4.657 -8.848 4.316 1.00 0.00 C ATOM 1119 CG ASP A 70 5.102 -10.229 3.861 1.00 0.00 C ATOM 1120 OD1 ASP A 70 4.246 -11.022 3.413 1.00 0.00 O ATOM 1121 OD2 ASP A 70 6.304 -10.536 3.981 1.00 0.00 O ATOM 0 H ASP A 70 3.512 -6.527 4.513 1.00 0.00 H new ATOM 0 HA ASP A 70 5.036 -7.944 2.428 1.00 0.00 H new ATOM 0 HB2 ASP A 70 5.474 -8.368 4.855 1.00 0.00 H new ATOM 0 HB3 ASP A 70 3.829 -8.951 5.017 1.00 0.00 H new ATOM 1126 N VAL A 71 3.029 -8.803 1.238 1.00 0.00 N ATOM 1127 CA VAL A 71 1.849 -9.155 0.462 1.00 0.00 C ATOM 1128 C VAL A 71 1.513 -10.636 0.588 1.00 0.00 C ATOM 1129 O VAL A 71 0.589 -11.131 -0.065 1.00 0.00 O ATOM 1130 CB VAL A 71 2.026 -8.793 -1.031 1.00 0.00 C ATOM 1131 CG1 VAL A 71 2.292 -7.304 -1.186 1.00 0.00 C ATOM 1132 CG2 VAL A 71 3.153 -9.602 -1.662 1.00 0.00 C ATOM 0 H VAL A 71 3.901 -8.825 0.710 1.00 0.00 H new ATOM 0 HA VAL A 71 1.023 -8.574 0.872 1.00 0.00 H new ATOM 0 HB VAL A 71 1.101 -9.041 -1.551 1.00 0.00 H new ATOM 0 HG11 VAL A 71 2.414 -7.064 -2.242 1.00 0.00 H new ATOM 0 HG12 VAL A 71 1.452 -6.740 -0.781 1.00 0.00 H new ATOM 0 HG13 VAL A 71 3.201 -7.039 -0.646 1.00 0.00 H new ATOM 0 HG21 VAL A 71 3.255 -9.327 -2.712 1.00 0.00 H new ATOM 0 HG22 VAL A 71 4.087 -9.394 -1.140 1.00 0.00 H new ATOM 0 HG23 VAL A 71 2.924 -10.665 -1.586 1.00 0.00 H new ATOM 1142 N GLY A 72 2.256 -11.342 1.427 1.00 0.00 N ATOM 1143 CA GLY A 72 1.964 -12.736 1.659 1.00 0.00 C ATOM 1144 C GLY A 72 3.193 -13.618 1.634 1.00 0.00 C ATOM 1145 O GLY A 72 3.810 -13.802 0.584 1.00 0.00 O ATOM 0 H GLY A 72 3.052 -10.974 1.948 1.00 0.00 H new ATOM 0 HA2 GLY A 72 1.470 -12.841 2.625 1.00 0.00 H new ATOM 0 HA3 GLY A 72 1.261 -13.083 0.902 1.00 0.00 H new ATOM 1149 N ALA A 73 3.541 -14.148 2.800 1.00 0.00 N ATOM 1150 CA ALA A 73 4.603 -15.140 2.944 1.00 0.00 C ATOM 1151 C ALA A 73 5.947 -14.655 2.404 1.00 0.00 C ATOM 1152 O ALA A 73 6.411 -15.110 1.357 1.00 0.00 O ATOM 1153 CB ALA A 73 4.204 -16.449 2.279 1.00 0.00 C ATOM 0 H ALA A 73 3.091 -13.900 3.681 1.00 0.00 H new ATOM 0 HA ALA A 73 4.735 -15.304 4.013 1.00 0.00 H new ATOM 0 HB1 ALA A 73 5.007 -17.176 2.396 1.00 0.00 H new ATOM 0 HB2 ALA A 73 3.296 -16.832 2.746 1.00 0.00 H new ATOM 0 HB3 ALA A 73 4.022 -16.277 1.218 1.00 0.00 H new ATOM 1159 N GLY A 74 6.548 -13.708 3.110 1.00 0.00 N ATOM 1160 CA GLY A 74 7.903 -13.292 2.809 1.00 0.00 C ATOM 1161 C GLY A 74 8.028 -12.532 1.505 1.00 0.00 C ATOM 1162 O GLY A 74 9.121 -12.428 0.945 1.00 0.00 O ATOM 0 H GLY A 74 6.117 -13.216 3.893 1.00 0.00 H new ATOM 0 HA2 GLY A 74 8.271 -12.666 3.622 1.00 0.00 H new ATOM 0 HA3 GLY A 74 8.544 -14.172 2.770 1.00 0.00 H new ATOM 1166 N LYS A 75 6.921 -12.007 1.011 1.00 0.00 N ATOM 1167 CA LYS A 75 6.946 -11.209 -0.204 1.00 0.00 C ATOM 1168 C LYS A 75 6.559 -9.780 0.117 1.00 0.00 C ATOM 1169 O LYS A 75 5.467 -9.521 0.607 1.00 0.00 O ATOM 1170 CB LYS A 75 6.010 -11.787 -1.269 1.00 0.00 C ATOM 1171 CG LYS A 75 6.359 -13.211 -1.682 1.00 0.00 C ATOM 1172 CD LYS A 75 5.677 -13.605 -2.982 1.00 0.00 C ATOM 1173 CE LYS A 75 4.160 -13.588 -2.863 1.00 0.00 C ATOM 1174 NZ LYS A 75 3.653 -14.630 -1.929 1.00 0.00 N ATOM 0 H LYS A 75 5.997 -12.117 1.429 1.00 0.00 H new ATOM 0 HA LYS A 75 7.958 -11.228 -0.607 1.00 0.00 H new ATOM 0 HB2 LYS A 75 4.988 -11.768 -0.891 1.00 0.00 H new ATOM 0 HB3 LYS A 75 6.036 -11.146 -2.150 1.00 0.00 H new ATOM 0 HG2 LYS A 75 7.439 -13.302 -1.796 1.00 0.00 H new ATOM 0 HG3 LYS A 75 6.063 -13.901 -0.892 1.00 0.00 H new ATOM 0 HD2 LYS A 75 5.985 -12.922 -3.774 1.00 0.00 H new ATOM 0 HD3 LYS A 75 6.006 -14.602 -3.275 1.00 0.00 H new ATOM 0 HE2 LYS A 75 3.836 -12.606 -2.518 1.00 0.00 H new ATOM 0 HE3 LYS A 75 3.719 -13.741 -3.848 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 2.624 -14.729 -2.045 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 4.114 -15.538 -2.139 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 3.866 -14.352 -0.950 1.00 0.00 H new ATOM 1188 N TYR A 76 7.451 -8.850 -0.167 1.00 0.00 N ATOM 1189 CA TYR A 76 7.253 -7.467 0.230 1.00 0.00 C ATOM 1190 C TYR A 76 6.922 -6.580 -0.958 1.00 0.00 C ATOM 1191 O TYR A 76 7.329 -6.849 -2.092 1.00 0.00 O ATOM 1192 CB TYR A 76 8.501 -6.927 0.929 1.00 0.00 C ATOM 1193 CG TYR A 76 8.851 -7.654 2.207 1.00 0.00 C ATOM 1194 CD1 TYR A 76 9.666 -8.779 2.188 1.00 0.00 C ATOM 1195 CD2 TYR A 76 8.370 -7.213 3.435 1.00 0.00 C ATOM 1196 CE1 TYR A 76 9.990 -9.443 3.352 1.00 0.00 C ATOM 1197 CE2 TYR A 76 8.693 -7.874 4.604 1.00 0.00 C ATOM 1198 CZ TYR A 76 9.503 -8.987 4.558 1.00 0.00 C ATOM 1199 OH TYR A 76 9.827 -9.650 5.720 1.00 0.00 O ATOM 0 H TYR A 76 8.320 -9.026 -0.671 1.00 0.00 H new ATOM 0 HA TYR A 76 6.408 -7.450 0.918 1.00 0.00 H new ATOM 0 HB2 TYR A 76 9.346 -6.991 0.243 1.00 0.00 H new ATOM 0 HB3 TYR A 76 8.352 -5.871 1.153 1.00 0.00 H new ATOM 0 HD1 TYR A 76 10.052 -9.139 1.246 1.00 0.00 H new ATOM 0 HD2 TYR A 76 7.734 -6.341 3.475 1.00 0.00 H new ATOM 0 HE1 TYR A 76 10.623 -10.317 3.319 1.00 0.00 H new ATOM 0 HE2 TYR A 76 8.312 -7.520 5.550 1.00 0.00 H new ATOM 0 HH TYR A 76 9.405 -9.201 6.482 1.00 0.00 H new ATOM 1209 N LEU A 77 6.174 -5.528 -0.681 1.00 0.00 N ATOM 1210 CA LEU A 77 5.883 -4.508 -1.663 1.00 0.00 C ATOM 1211 C LEU A 77 6.425 -3.176 -1.159 1.00 0.00 C ATOM 1212 O LEU A 77 5.941 -2.642 -0.161 1.00 0.00 O ATOM 1213 CB LEU A 77 4.372 -4.416 -1.890 1.00 0.00 C ATOM 1214 CG LEU A 77 3.937 -3.528 -3.053 1.00 0.00 C ATOM 1215 CD1 LEU A 77 4.435 -4.096 -4.368 1.00 0.00 C ATOM 1216 CD2 LEU A 77 2.425 -3.390 -3.076 1.00 0.00 C ATOM 0 H LEU A 77 5.752 -5.359 0.232 1.00 0.00 H new ATOM 0 HA LEU A 77 6.357 -4.760 -2.612 1.00 0.00 H new ATOM 0 HB2 LEU A 77 3.985 -5.421 -2.058 1.00 0.00 H new ATOM 0 HB3 LEU A 77 3.907 -4.044 -0.977 1.00 0.00 H new ATOM 0 HG LEU A 77 4.374 -2.539 -2.915 1.00 0.00 H new ATOM 0 HD11 LEU A 77 4.116 -3.451 -5.187 1.00 0.00 H new ATOM 0 HD12 LEU A 77 5.524 -4.151 -4.352 1.00 0.00 H new ATOM 0 HD13 LEU A 77 4.024 -5.095 -4.512 1.00 0.00 H new ATOM 0 HD21 LEU A 77 2.130 -2.754 -3.911 1.00 0.00 H new ATOM 0 HD22 LEU A 77 1.972 -4.374 -3.192 1.00 0.00 H new ATOM 0 HD23 LEU A 77 2.086 -2.942 -2.142 1.00 0.00 H new ATOM 1228 N GLN A 78 7.445 -2.658 -1.824 1.00 0.00 N ATOM 1229 CA GLN A 78 8.088 -1.425 -1.389 1.00 0.00 C ATOM 1230 C GLN A 78 8.112 -0.395 -2.506 1.00 0.00 C ATOM 1231 O GLN A 78 8.467 -0.704 -3.646 1.00 0.00 O ATOM 1232 CB GLN A 78 9.510 -1.703 -0.895 1.00 0.00 C ATOM 1233 CG GLN A 78 9.563 -2.438 0.437 1.00 0.00 C ATOM 1234 CD GLN A 78 9.005 -1.610 1.582 1.00 0.00 C ATOM 1235 OE1 GLN A 78 9.736 -0.882 2.252 1.00 0.00 O ATOM 1236 NE2 GLN A 78 7.703 -1.701 1.807 1.00 0.00 N ATOM 0 H GLN A 78 7.846 -3.070 -2.666 1.00 0.00 H new ATOM 0 HA GLN A 78 7.504 -1.019 -0.564 1.00 0.00 H new ATOM 0 HB2 GLN A 78 10.037 -2.292 -1.646 1.00 0.00 H new ATOM 0 HB3 GLN A 78 10.043 -0.757 -0.799 1.00 0.00 H new ATOM 0 HG2 GLN A 78 9.000 -3.368 0.358 1.00 0.00 H new ATOM 0 HG3 GLN A 78 10.596 -2.708 0.658 1.00 0.00 H new ATOM 0 HE21 GLN A 78 7.128 -2.315 1.231 1.00 0.00 H new ATOM 0 HE22 GLN A 78 7.276 -1.157 2.556 1.00 0.00 H new ATOM 1245 N TRP A 79 7.729 0.824 -2.168 1.00 0.00 N ATOM 1246 CA TRP A 79 7.688 1.907 -3.128 1.00 0.00 C ATOM 1247 C TRP A 79 8.635 3.023 -2.703 1.00 0.00 C ATOM 1248 O TRP A 79 8.534 3.549 -1.594 1.00 0.00 O ATOM 1249 CB TRP A 79 6.250 2.434 -3.276 1.00 0.00 C ATOM 1250 CG TRP A 79 5.630 2.931 -1.993 1.00 0.00 C ATOM 1251 CD1 TRP A 79 5.524 4.231 -1.582 1.00 0.00 C ATOM 1252 CD2 TRP A 79 5.028 2.139 -0.956 1.00 0.00 C ATOM 1253 NE1 TRP A 79 4.901 4.293 -0.358 1.00 0.00 N ATOM 1254 CE2 TRP A 79 4.586 3.024 0.046 1.00 0.00 C ATOM 1255 CE3 TRP A 79 4.822 0.768 -0.781 1.00 0.00 C ATOM 1256 CZ2 TRP A 79 3.952 2.581 1.207 1.00 0.00 C ATOM 1257 CZ3 TRP A 79 4.193 0.330 0.369 1.00 0.00 C ATOM 1258 CH2 TRP A 79 3.763 1.233 1.349 1.00 0.00 C ATOM 0 H TRP A 79 7.440 1.087 -1.226 1.00 0.00 H new ATOM 0 HA TRP A 79 8.015 1.532 -4.098 1.00 0.00 H new ATOM 0 HB2 TRP A 79 6.247 3.245 -4.004 1.00 0.00 H new ATOM 0 HB3 TRP A 79 5.625 1.639 -3.682 1.00 0.00 H new ATOM 0 HD1 TRP A 79 5.879 5.086 -2.139 1.00 0.00 H new ATOM 0 HE1 TRP A 79 4.705 5.147 0.165 1.00 0.00 H new ATOM 0 HE3 TRP A 79 5.149 0.063 -1.531 1.00 0.00 H new ATOM 0 HZ2 TRP A 79 3.623 3.276 1.965 1.00 0.00 H new ATOM 0 HZ3 TRP A 79 4.030 -0.728 0.514 1.00 0.00 H new ATOM 0 HH2 TRP A 79 3.272 0.858 2.235 1.00 0.00 H new ATOM 1269 N TYR A 80 9.581 3.358 -3.566 1.00 0.00 N ATOM 1270 CA TYR A 80 10.502 4.444 -3.274 1.00 0.00 C ATOM 1271 C TYR A 80 10.024 5.712 -3.952 1.00 0.00 C ATOM 1272 O TYR A 80 9.844 5.736 -5.174 1.00 0.00 O ATOM 1273 CB TYR A 80 11.921 4.138 -3.765 1.00 0.00 C ATOM 1274 CG TYR A 80 12.296 2.674 -3.746 1.00 0.00 C ATOM 1275 CD1 TYR A 80 12.446 1.976 -2.553 1.00 0.00 C ATOM 1276 CD2 TYR A 80 12.510 1.996 -4.933 1.00 0.00 C ATOM 1277 CE1 TYR A 80 12.796 0.638 -2.555 1.00 0.00 C ATOM 1278 CE2 TYR A 80 12.856 0.663 -4.944 1.00 0.00 C ATOM 1279 CZ TYR A 80 13.000 -0.013 -3.753 1.00 0.00 C ATOM 1280 OH TYR A 80 13.352 -1.344 -3.764 1.00 0.00 O ATOM 0 H TYR A 80 9.730 2.899 -4.465 1.00 0.00 H new ATOM 0 HA TYR A 80 10.528 4.567 -2.191 1.00 0.00 H new ATOM 0 HB2 TYR A 80 12.027 4.513 -4.783 1.00 0.00 H new ATOM 0 HB3 TYR A 80 12.631 4.689 -3.147 1.00 0.00 H new ATOM 0 HD1 TYR A 80 12.287 2.485 -1.614 1.00 0.00 H new ATOM 0 HD2 TYR A 80 12.404 2.523 -5.870 1.00 0.00 H new ATOM 0 HE1 TYR A 80 12.909 0.106 -1.622 1.00 0.00 H new ATOM 0 HE2 TYR A 80 13.014 0.151 -5.882 1.00 0.00 H new ATOM 0 HH TYR A 80 12.972 -1.789 -2.978 1.00 0.00 H new ATOM 1290 N ALA A 81 9.798 6.756 -3.173 1.00 0.00 N ATOM 1291 CA ALA A 81 9.484 8.041 -3.753 1.00 0.00 C ATOM 1292 C ALA A 81 10.747 8.646 -4.322 1.00 0.00 C ATOM 1293 O ALA A 81 11.672 9.005 -3.589 1.00 0.00 O ATOM 1294 CB ALA A 81 8.848 8.970 -2.732 1.00 0.00 C ATOM 0 H ALA A 81 9.826 6.737 -2.154 1.00 0.00 H new ATOM 0 HA ALA A 81 8.756 7.901 -4.552 1.00 0.00 H new ATOM 0 HB1 ALA A 81 8.624 9.928 -3.201 1.00 0.00 H new ATOM 0 HB2 ALA A 81 7.926 8.524 -2.359 1.00 0.00 H new ATOM 0 HB3 ALA A 81 9.537 9.125 -1.902 1.00 0.00 H new ATOM 1300 N VAL A 82 10.786 8.736 -5.635 1.00 0.00 N ATOM 1301 CA VAL A 82 11.932 9.276 -6.324 1.00 0.00 C ATOM 1302 C VAL A 82 11.507 10.458 -7.173 1.00 0.00 C ATOM 1303 O VAL A 82 10.554 10.373 -7.951 1.00 0.00 O ATOM 1304 CB VAL A 82 12.634 8.205 -7.190 1.00 0.00 C ATOM 1305 CG1 VAL A 82 13.375 7.212 -6.305 1.00 0.00 C ATOM 1306 CG2 VAL A 82 11.631 7.472 -8.071 1.00 0.00 C ATOM 0 H VAL A 82 10.028 8.438 -6.249 1.00 0.00 H new ATOM 0 HA VAL A 82 12.653 9.610 -5.578 1.00 0.00 H new ATOM 0 HB VAL A 82 13.352 8.710 -7.836 1.00 0.00 H new ATOM 0 HG11 VAL A 82 13.864 6.464 -6.928 1.00 0.00 H new ATOM 0 HG12 VAL A 82 14.125 7.739 -5.715 1.00 0.00 H new ATOM 0 HG13 VAL A 82 12.667 6.721 -5.637 1.00 0.00 H new ATOM 0 HG21 VAL A 82 12.151 6.724 -8.670 1.00 0.00 H new ATOM 0 HG22 VAL A 82 10.887 6.981 -7.444 1.00 0.00 H new ATOM 0 HG23 VAL A 82 11.137 8.185 -8.731 1.00 0.00 H new