USER MOD reduce.3.24.130724 H: found=0, std=0, add=944, rem=0, adj=38 USER MOD reduce.3.24.130724 removed 830 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 692 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 711 ASN : amide:sc= -2.28! C(o=-3.9!,f=-7.2!) USER MOD Set 1.3: A 715 ASN : amide:sc= -1.64! K(o=-3.9!,f=-7.2) USER MOD Set 2.1: A 644 GLN : amide:sc= -2.21! C(o=-0.97!,f=-1!) USER MOD Set 2.2: A 714 TYR OH : rot -140:sc= 1.24 USER MOD Set 3.1: A 640 SER OG : rot 89:sc= 0.916 USER MOD Set 3.2: A 654 ASN : amide:sc= 1.32 K(o=2.2,f=-5.9!) USER MOD Set 4.1: A 587 THR OG1 : rot 134:sc= 1.43 USER MOD Set 4.2: A 597 SER OG : rot 48:sc= 1.31 USER MOD Set 4.3: A 598 GLN : amide:sc= 0.118 K(o=2.9,f=-2.3) USER MOD Single : A 591 ASN : amide:sc= -0.346 K(o=-0.35,f=-2.9!) USER MOD Single : A 593 THR OG1 : rot 180:sc= 0 USER MOD Single : A 602 SER OG : rot 33:sc= 0.0521 USER MOD Single : A 606 THR OG1 : rot 180:sc= -1.7! USER MOD Single : A 609 THR OG1 : rot -41:sc= 0.831 USER MOD Single : A 610 LYS NZ :NH3+ 165:sc=-0.00776 (180deg=-0.209) USER MOD Single : A 611 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 614 TYR OH : rot 30:sc= 0 USER MOD Single : A 615 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 618 THR OG1 : rot -47:sc= 0.718 USER MOD Single : A 620 LYS NZ :NH3+ -115:sc= 1.11 (180deg=0.507) USER MOD Single : A 621 TYR OH : rot 180:sc= 0 USER MOD Single : A 624 HIS : +bothHN:sc= -2.28! C(o=-2.3!,f=-7.3!) USER MOD Single : A 626 ASN : amide:sc= 1.57 K(o=1.6,f=-7.7!) USER MOD Single : A 632 SER OG : rot 180:sc= 0 USER MOD Single : A 646 SER OG : rot 180:sc= 0.839 USER MOD Single : A 648 SER OG : rot 180:sc= 0 USER MOD Single : A 651 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 652 SER OG : rot 156:sc= 0.321 USER MOD Single : A 658 SER OG : rot 180:sc=0.000982 USER MOD Single : A 659 ASN : amide:sc= -2.21 K(o=-2.2,f=-4.4!) USER MOD Single : A 661 LYS NZ :NH3+ -166:sc= 1.22 (180deg=0.943) USER MOD Single : A 663 SER OG : rot 180:sc= 0 USER MOD Single : A 664 TYR OH : rot 180:sc= 0 USER MOD Single : A 665 TYR OH : rot 180:sc= 0 USER MOD Single : A 668 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 670 GLN :FLIP amide:sc= -0.596 F(o=-2.2,f=-0.6) USER MOD Single : A 672 THR OG1 : rot 180:sc= 0 USER MOD Single : A 673 TYR OH : rot -146:sc= 1.3 USER MOD Single : A 677 THR OG1 : rot 180:sc= -0.185 USER MOD Single : A 679 TYR OH : rot 154:sc= 0.209 USER MOD Single : A 685 THR OG1 : rot 25:sc= 0.182 USER MOD Single : A 689 THR OG1 : rot 83:sc= -0.933 USER MOD Single : A 706 TYR OH : rot 180:sc= -0.147 USER MOD Single : A 707 GLN : amide:sc= -0.225 K(o=-0.22,f=-0.97) USER MOD Single : A 712 SER OG : rot 180:sc= 0 USER MOD Single : A 713 THR OG1 : rot 180:sc= 0 USER MOD Single : A 719 TYR OH : rot 30:sc= -0.149 USER MOD Single : A 720 THR OG1 : rot 111:sc= 0.964 USER MOD Single : A 721 SER OG : rot 180:sc= 0 USER MOD Single : A 722 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 136 N THR A 587 -15.963 -9.071 -0.237 1.00 22.12 N ATOM 137 CA THR A 587 -16.324 -8.941 1.127 1.00 12.44 C ATOM 138 C THR A 587 -15.687 -7.663 1.622 1.00 53.11 C ATOM 139 O THR A 587 -14.471 -7.569 1.691 1.00 13.51 O ATOM 140 CB THR A 587 -15.781 -10.127 1.926 1.00 3.44 C ATOM 141 OG1 THR A 587 -16.258 -11.362 1.347 1.00 22.35 O ATOM 142 CG2 THR A 587 -16.213 -10.039 3.373 1.00 75.44 C ATOM 0 HA THR A 587 -17.407 -8.918 1.245 1.00 12.44 H new ATOM 0 HB THR A 587 -14.692 -10.103 1.888 1.00 3.44 H new ATOM 0 HG1 THR A 587 -15.514 -11.994 1.266 1.00 22.35 H new ATOM 0 HG21 THR A 587 -15.816 -10.892 3.924 1.00 75.44 H new ATOM 0 HG22 THR A 587 -15.833 -9.116 3.811 1.00 75.44 H new ATOM 0 HG23 THR A 587 -17.302 -10.046 3.429 1.00 75.44 H new ATOM 148 N GLU A 588 -16.479 -6.691 1.929 1.00 11.12 N ATOM 149 CA GLU A 588 -15.951 -5.423 2.324 1.00 25.44 C ATOM 150 C GLU A 588 -16.143 -5.232 3.810 1.00 13.23 C ATOM 151 O GLU A 588 -17.232 -5.467 4.346 1.00 42.03 O ATOM 152 CB GLU A 588 -16.632 -4.294 1.537 1.00 65.33 C ATOM 153 CG GLU A 588 -16.005 -2.922 1.736 1.00 5.21 C ATOM 154 CD GLU A 588 -16.764 -1.832 1.025 1.00 11.24 C ATOM 155 OE1 GLU A 588 -16.577 -1.645 -0.211 1.00 44.32 O ATOM 156 OE2 GLU A 588 -17.582 -1.161 1.680 1.00 73.00 O ATOM 0 H GLU A 588 -17.497 -6.748 1.915 1.00 11.12 H new ATOM 0 HA GLU A 588 -14.884 -5.394 2.103 1.00 25.44 H new ATOM 0 HB2 GLU A 588 -16.607 -4.541 0.476 1.00 65.33 H new ATOM 0 HB3 GLU A 588 -17.681 -4.246 1.828 1.00 65.33 H new ATOM 0 HG2 GLU A 588 -15.964 -2.696 2.802 1.00 5.21 H new ATOM 0 HG3 GLU A 588 -14.977 -2.940 1.374 1.00 5.21 H new ATOM 163 N GLY A 589 -15.092 -4.858 4.468 1.00 54.44 N ATOM 164 CA GLY A 589 -15.158 -4.574 5.865 1.00 31.14 C ATOM 165 C GLY A 589 -15.268 -3.096 6.088 1.00 41.23 C ATOM 166 O GLY A 589 -15.473 -2.333 5.135 1.00 24.41 O ATOM 0 H GLY A 589 -14.167 -4.741 4.053 1.00 54.44 H new ATOM 0 HA2 GLY A 589 -16.016 -5.081 6.306 1.00 31.14 H new ATOM 0 HA3 GLY A 589 -14.269 -4.959 6.364 1.00 31.14 H new ATOM 170 N ASP A 590 -15.134 -2.678 7.299 1.00 33.14 N ATOM 171 CA ASP A 590 -15.213 -1.264 7.615 1.00 23.43 C ATOM 172 C ASP A 590 -13.906 -0.806 8.166 1.00 4.30 C ATOM 173 O ASP A 590 -13.364 0.216 7.746 1.00 12.51 O ATOM 174 CB ASP A 590 -16.340 -0.949 8.599 1.00 53.02 C ATOM 175 CG ASP A 590 -16.418 0.535 8.894 1.00 52.24 C ATOM 176 OD1 ASP A 590 -16.979 1.283 8.062 1.00 11.41 O ATOM 177 OD2 ASP A 590 -15.905 0.980 9.940 1.00 71.41 O ATOM 0 H ASP A 590 -14.968 -3.286 8.101 1.00 33.14 H new ATOM 0 HA ASP A 590 -15.438 -0.729 6.692 1.00 23.43 H new ATOM 0 HB2 ASP A 590 -17.290 -1.290 8.188 1.00 53.02 H new ATOM 0 HB3 ASP A 590 -16.179 -1.498 9.527 1.00 53.02 H new ATOM 182 N ASN A 591 -13.398 -1.561 9.097 1.00 65.31 N ATOM 183 CA ASN A 591 -12.107 -1.286 9.665 1.00 4.35 C ATOM 184 C ASN A 591 -11.095 -2.151 8.919 1.00 61.12 C ATOM 185 O ASN A 591 -11.494 -3.008 8.124 1.00 44.54 O ATOM 186 CB ASN A 591 -12.103 -1.598 11.180 1.00 0.44 C ATOM 187 CG ASN A 591 -10.812 -1.178 11.884 1.00 34.14 C ATOM 188 OD1 ASN A 591 -10.153 -0.218 11.487 1.00 61.23 O ATOM 189 ND2 ASN A 591 -10.442 -1.886 12.920 1.00 1.23 N ATOM 0 H ASN A 591 -13.864 -2.382 9.484 1.00 65.31 H new ATOM 0 HA ASN A 591 -11.851 -0.232 9.560 1.00 4.35 H new ATOM 0 HB2 ASN A 591 -12.946 -1.091 11.650 1.00 0.44 H new ATOM 0 HB3 ASN A 591 -12.255 -2.668 11.323 1.00 0.44 H new ATOM 0 HD21 ASN A 591 -9.587 -1.647 13.422 1.00 1.23 H new ATOM 0 HD22 ASN A 591 -11.009 -2.677 13.226 1.00 1.23 H new ATOM 195 N CYS A 592 -9.818 -1.948 9.161 1.00 12.11 N ATOM 196 CA CYS A 592 -8.765 -2.670 8.489 1.00 21.11 C ATOM 197 C CYS A 592 -8.594 -4.143 8.913 1.00 3.41 C ATOM 198 O CYS A 592 -7.463 -4.654 9.019 1.00 42.44 O ATOM 199 CB CYS A 592 -7.489 -1.886 8.607 1.00 10.12 C ATOM 200 SG CYS A 592 -7.206 -1.157 10.256 1.00 15.02 S ATOM 0 H CYS A 592 -9.480 -1.266 9.840 1.00 12.11 H new ATOM 0 HA CYS A 592 -9.059 -2.756 7.443 1.00 21.11 H new ATOM 0 HB2 CYS A 592 -6.651 -2.539 8.363 1.00 10.12 H new ATOM 0 HB3 CYS A 592 -7.497 -1.087 7.866 1.00 10.12 H new ATOM 205 N THR A 593 -9.696 -4.831 9.084 1.00 13.32 N ATOM 206 CA THR A 593 -9.684 -6.244 9.280 1.00 33.43 C ATOM 207 C THR A 593 -10.721 -6.826 8.340 1.00 60.31 C ATOM 208 O THR A 593 -11.773 -6.212 8.120 1.00 11.13 O ATOM 209 CB THR A 593 -10.033 -6.593 10.746 1.00 34.22 C ATOM 210 OG1 THR A 593 -11.237 -5.911 11.139 1.00 53.13 O ATOM 211 CG2 THR A 593 -8.906 -6.201 11.677 1.00 10.44 C ATOM 0 H THR A 593 -10.628 -4.416 9.090 1.00 13.32 H new ATOM 0 HA THR A 593 -8.695 -6.654 9.075 1.00 33.43 H new ATOM 0 HB THR A 593 -10.183 -7.671 10.813 1.00 34.22 H new ATOM 0 HG1 THR A 593 -11.453 -6.138 12.068 1.00 53.13 H new ATOM 0 HG21 THR A 593 -9.175 -6.456 12.702 1.00 10.44 H new ATOM 0 HG22 THR A 593 -7.999 -6.736 11.396 1.00 10.44 H new ATOM 0 HG23 THR A 593 -8.731 -5.128 11.605 1.00 10.44 H new ATOM 217 N VAL A 594 -10.447 -7.962 7.772 1.00 35.21 N ATOM 218 CA VAL A 594 -11.385 -8.533 6.856 1.00 51.41 C ATOM 219 C VAL A 594 -11.659 -10.011 7.135 1.00 73.53 C ATOM 220 O VAL A 594 -10.731 -10.797 7.321 1.00 42.21 O ATOM 221 CB VAL A 594 -10.990 -8.278 5.367 1.00 74.42 C ATOM 222 CG1 VAL A 594 -9.698 -8.982 4.971 1.00 41.44 C ATOM 223 CG2 VAL A 594 -12.136 -8.610 4.421 1.00 52.41 C ATOM 0 H VAL A 594 -9.596 -8.504 7.923 1.00 35.21 H new ATOM 0 HA VAL A 594 -12.327 -8.011 7.025 1.00 51.41 H new ATOM 0 HB VAL A 594 -10.790 -7.210 5.275 1.00 74.42 H new ATOM 0 HG11 VAL A 594 -9.473 -8.769 3.926 1.00 41.44 H new ATOM 0 HG12 VAL A 594 -8.882 -8.624 5.598 1.00 41.44 H new ATOM 0 HG13 VAL A 594 -9.814 -10.057 5.105 1.00 41.44 H new ATOM 0 HG21 VAL A 594 -11.826 -8.421 3.393 1.00 52.41 H new ATOM 0 HG22 VAL A 594 -12.406 -9.660 4.531 1.00 52.41 H new ATOM 0 HG23 VAL A 594 -12.998 -7.987 4.661 1.00 52.41 H new ATOM 229 N PHE A 595 -12.901 -10.376 7.191 1.00 22.53 N ATOM 230 CA PHE A 595 -13.266 -11.760 7.277 1.00 22.01 C ATOM 231 C PHE A 595 -14.121 -12.106 6.098 1.00 43.40 C ATOM 232 O PHE A 595 -15.179 -11.519 5.898 1.00 70.01 O ATOM 233 CB PHE A 595 -13.957 -12.119 8.604 1.00 54.10 C ATOM 234 CG PHE A 595 -14.478 -13.543 8.644 1.00 22.32 C ATOM 235 CD1 PHE A 595 -13.664 -14.604 8.287 1.00 73.44 C ATOM 236 CD2 PHE A 595 -15.785 -13.807 9.003 1.00 70.15 C ATOM 237 CE1 PHE A 595 -14.135 -15.895 8.293 1.00 22.12 C ATOM 238 CE2 PHE A 595 -16.267 -15.100 9.010 1.00 40.14 C ATOM 239 CZ PHE A 595 -15.441 -16.145 8.654 1.00 62.11 C ATOM 0 H PHE A 595 -13.689 -9.729 7.179 1.00 22.53 H new ATOM 0 HA PHE A 595 -12.354 -12.356 7.259 1.00 22.01 H new ATOM 0 HB2 PHE A 595 -13.253 -11.974 9.423 1.00 54.10 H new ATOM 0 HB3 PHE A 595 -14.786 -11.431 8.771 1.00 54.10 H new ATOM 0 HD1 PHE A 595 -12.641 -14.414 7.999 1.00 73.44 H new ATOM 0 HD2 PHE A 595 -16.437 -12.992 9.281 1.00 70.15 H new ATOM 0 HE1 PHE A 595 -13.484 -16.711 8.016 1.00 22.12 H new ATOM 0 HE2 PHE A 595 -17.291 -15.293 9.294 1.00 40.14 H new ATOM 0 HZ PHE A 595 -15.817 -17.157 8.658 1.00 62.11 H new ATOM 249 N ASP A 596 -13.688 -13.070 5.344 1.00 61.41 N ATOM 250 CA ASP A 596 -14.364 -13.434 4.127 1.00 23.41 C ATOM 251 C ASP A 596 -15.126 -14.702 4.338 1.00 30.13 C ATOM 252 O ASP A 596 -14.553 -15.726 4.708 1.00 62.22 O ATOM 253 CB ASP A 596 -13.349 -13.622 3.021 1.00 23.00 C ATOM 254 CG ASP A 596 -13.977 -13.822 1.675 1.00 24.35 C ATOM 255 OD1 ASP A 596 -14.266 -14.958 1.313 1.00 11.40 O ATOM 256 OD2 ASP A 596 -14.181 -12.829 0.958 1.00 60.20 O ATOM 0 H ASP A 596 -12.859 -13.628 5.550 1.00 61.41 H new ATOM 0 HA ASP A 596 -15.058 -12.642 3.845 1.00 23.41 H new ATOM 0 HB2 ASP A 596 -12.695 -12.751 2.984 1.00 23.00 H new ATOM 0 HB3 ASP A 596 -12.722 -14.482 3.254 1.00 23.00 H new ATOM 261 N SER A 597 -16.411 -14.633 4.122 1.00 51.14 N ATOM 262 CA SER A 597 -17.290 -15.752 4.333 1.00 25.32 C ATOM 263 C SER A 597 -17.087 -16.896 3.327 1.00 42.42 C ATOM 264 O SER A 597 -17.391 -18.050 3.626 1.00 65.54 O ATOM 265 CB SER A 597 -18.743 -15.262 4.397 1.00 72.34 C ATOM 266 OG SER A 597 -19.029 -14.343 3.336 1.00 21.41 O ATOM 0 H SER A 597 -16.882 -13.791 3.792 1.00 51.14 H new ATOM 0 HA SER A 597 -17.032 -16.198 5.294 1.00 25.32 H new ATOM 0 HB2 SER A 597 -19.420 -16.114 4.335 1.00 72.34 H new ATOM 0 HB3 SER A 597 -18.925 -14.780 5.358 1.00 72.34 H new ATOM 0 HG SER A 597 -18.703 -14.710 2.488 1.00 21.41 H new ATOM 272 N GLN A 598 -16.555 -16.584 2.155 1.00 60.32 N ATOM 273 CA GLN A 598 -16.327 -17.604 1.140 1.00 4.02 C ATOM 274 C GLN A 598 -15.042 -18.330 1.465 1.00 51.31 C ATOM 275 O GLN A 598 -14.945 -19.555 1.368 1.00 42.31 O ATOM 276 CB GLN A 598 -16.162 -17.009 -0.278 1.00 11.13 C ATOM 277 CG GLN A 598 -17.266 -16.091 -0.819 1.00 51.35 C ATOM 278 CD GLN A 598 -17.365 -14.781 -0.081 1.00 61.12 C ATOM 279 OE1 GLN A 598 -18.125 -14.641 0.872 1.00 40.01 O ATOM 280 NE2 GLN A 598 -16.558 -13.840 -0.466 1.00 15.34 N ATOM 0 H GLN A 598 -16.275 -15.642 1.884 1.00 60.32 H new ATOM 0 HA GLN A 598 -17.197 -18.261 1.146 1.00 4.02 H new ATOM 0 HB2 GLN A 598 -15.227 -16.449 -0.296 1.00 11.13 H new ATOM 0 HB3 GLN A 598 -16.050 -17.839 -0.975 1.00 11.13 H new ATOM 0 HG2 GLN A 598 -17.079 -15.893 -1.874 1.00 51.35 H new ATOM 0 HG3 GLN A 598 -18.223 -16.609 -0.756 1.00 51.35 H new ATOM 0 HE21 GLN A 598 -15.940 -13.993 -1.263 1.00 15.34 H new ATOM 0 HE22 GLN A 598 -16.542 -12.948 0.029 1.00 15.34 H new ATOM 288 N ALA A 599 -14.052 -17.545 1.850 1.00 60.31 N ATOM 289 CA ALA A 599 -12.732 -18.042 2.119 1.00 20.54 C ATOM 290 C ALA A 599 -12.625 -18.660 3.499 1.00 70.01 C ATOM 291 O ALA A 599 -11.783 -19.503 3.732 1.00 11.43 O ATOM 292 CB ALA A 599 -11.764 -16.872 2.010 1.00 11.53 C ATOM 0 H ALA A 599 -14.151 -16.539 1.983 1.00 60.31 H new ATOM 0 HA ALA A 599 -12.496 -18.825 1.398 1.00 20.54 H new ATOM 0 HB1 ALA A 599 -10.750 -17.219 2.210 1.00 11.53 H new ATOM 0 HB2 ALA A 599 -11.813 -16.452 1.005 1.00 11.53 H new ATOM 0 HB3 ALA A 599 -12.035 -16.106 2.737 1.00 11.53 H new ATOM 298 N GLY A 600 -13.510 -18.269 4.393 1.00 55.21 N ATOM 299 CA GLY A 600 -13.520 -18.839 5.737 1.00 31.54 C ATOM 300 C GLY A 600 -12.282 -18.460 6.556 1.00 2.43 C ATOM 301 O GLY A 600 -11.958 -19.110 7.556 1.00 34.31 O ATOM 0 H GLY A 600 -14.228 -17.565 4.222 1.00 55.21 H new ATOM 0 HA2 GLY A 600 -14.414 -18.502 6.262 1.00 31.54 H new ATOM 0 HA3 GLY A 600 -13.583 -19.925 5.665 1.00 31.54 H new ATOM 305 N PHE A 601 -11.597 -17.418 6.141 1.00 22.21 N ATOM 306 CA PHE A 601 -10.416 -16.955 6.839 1.00 70.54 C ATOM 307 C PHE A 601 -10.564 -15.490 7.172 1.00 45.30 C ATOM 308 O PHE A 601 -11.123 -14.714 6.377 1.00 62.33 O ATOM 309 CB PHE A 601 -9.128 -17.162 6.020 1.00 15.54 C ATOM 310 CG PHE A 601 -8.768 -18.589 5.697 1.00 24.20 C ATOM 311 CD1 PHE A 601 -8.259 -19.426 6.671 1.00 74.44 C ATOM 312 CD2 PHE A 601 -8.933 -19.083 4.419 1.00 51.12 C ATOM 313 CE1 PHE A 601 -7.922 -20.734 6.372 1.00 51.22 C ATOM 314 CE2 PHE A 601 -8.597 -20.388 4.112 1.00 20.32 C ATOM 315 CZ PHE A 601 -8.092 -21.215 5.092 1.00 33.43 C ATOM 0 H PHE A 601 -11.840 -16.870 5.316 1.00 22.21 H new ATOM 0 HA PHE A 601 -10.327 -17.548 7.750 1.00 70.54 H new ATOM 0 HB2 PHE A 601 -9.225 -16.613 5.084 1.00 15.54 H new ATOM 0 HB3 PHE A 601 -8.298 -16.715 6.567 1.00 15.54 H new ATOM 0 HD1 PHE A 601 -8.123 -19.055 7.676 1.00 74.44 H new ATOM 0 HD2 PHE A 601 -9.331 -18.440 3.647 1.00 51.12 H new ATOM 0 HE1 PHE A 601 -7.525 -21.379 7.142 1.00 51.22 H new ATOM 0 HE2 PHE A 601 -8.730 -20.759 3.106 1.00 20.32 H new ATOM 0 HZ PHE A 601 -7.830 -22.236 4.858 1.00 33.43 H new ATOM 325 N SER A 602 -10.094 -15.121 8.325 1.00 15.14 N ATOM 326 CA SER A 602 -10.131 -13.758 8.776 1.00 42.21 C ATOM 327 C SER A 602 -8.715 -13.202 8.797 1.00 10.12 C ATOM 328 O SER A 602 -7.810 -13.847 9.311 1.00 61.34 O ATOM 329 CB SER A 602 -10.776 -13.707 10.160 1.00 53.13 C ATOM 330 OG SER A 602 -10.108 -14.584 11.073 1.00 30.34 O ATOM 0 H SER A 602 -9.667 -15.766 8.990 1.00 15.14 H new ATOM 0 HA SER A 602 -10.727 -13.144 8.100 1.00 42.21 H new ATOM 0 HB2 SER A 602 -10.744 -12.687 10.542 1.00 53.13 H new ATOM 0 HB3 SER A 602 -11.827 -13.987 10.085 1.00 53.13 H new ATOM 0 HG SER A 602 -9.155 -14.626 10.848 1.00 30.34 H new ATOM 336 N PHE A 603 -8.521 -12.037 8.241 1.00 3.04 N ATOM 337 CA PHE A 603 -7.202 -11.468 8.131 1.00 5.32 C ATOM 338 C PHE A 603 -7.135 -10.083 8.762 1.00 25.14 C ATOM 339 O PHE A 603 -7.981 -9.214 8.487 1.00 64.35 O ATOM 340 CB PHE A 603 -6.753 -11.419 6.657 1.00 13.12 C ATOM 341 CG PHE A 603 -6.616 -12.781 5.999 1.00 21.25 C ATOM 342 CD1 PHE A 603 -5.471 -13.529 6.187 1.00 34.42 C ATOM 343 CD2 PHE A 603 -7.623 -13.305 5.191 1.00 12.44 C ATOM 344 CE1 PHE A 603 -5.317 -14.760 5.593 1.00 64.44 C ATOM 345 CE2 PHE A 603 -7.469 -14.544 4.597 1.00 11.10 C ATOM 346 CZ PHE A 603 -6.315 -15.268 4.799 1.00 24.33 C ATOM 0 H PHE A 603 -9.266 -11.458 7.853 1.00 3.04 H new ATOM 0 HA PHE A 603 -6.517 -12.113 8.681 1.00 5.32 H new ATOM 0 HB2 PHE A 603 -7.471 -10.825 6.090 1.00 13.12 H new ATOM 0 HB3 PHE A 603 -5.795 -10.902 6.598 1.00 13.12 H new ATOM 0 HD1 PHE A 603 -4.681 -13.140 6.812 1.00 34.42 H new ATOM 0 HD2 PHE A 603 -8.529 -12.740 5.028 1.00 12.44 H new ATOM 0 HE1 PHE A 603 -4.411 -15.327 5.751 1.00 64.44 H new ATOM 0 HE2 PHE A 603 -8.255 -14.945 3.974 1.00 11.10 H new ATOM 0 HZ PHE A 603 -6.195 -16.235 4.333 1.00 24.33 H new ATOM 356 N ASP A 604 -6.139 -9.883 9.606 1.00 42.34 N ATOM 357 CA ASP A 604 -5.925 -8.605 10.270 1.00 22.04 C ATOM 358 C ASP A 604 -4.755 -7.940 9.618 1.00 14.15 C ATOM 359 O ASP A 604 -3.635 -8.444 9.690 1.00 43.45 O ATOM 360 CB ASP A 604 -5.587 -8.785 11.765 1.00 71.22 C ATOM 361 CG ASP A 604 -6.635 -9.512 12.561 1.00 64.12 C ATOM 362 OD1 ASP A 604 -7.572 -8.865 13.070 1.00 30.52 O ATOM 363 OD2 ASP A 604 -6.525 -10.753 12.699 1.00 51.14 O ATOM 0 H ASP A 604 -5.455 -10.599 9.852 1.00 42.34 H new ATOM 0 HA ASP A 604 -6.839 -8.017 10.188 1.00 22.04 H new ATOM 0 HB2 ASP A 604 -4.645 -9.327 11.848 1.00 71.22 H new ATOM 0 HB3 ASP A 604 -5.429 -7.802 12.209 1.00 71.22 H new ATOM 368 N LEU A 605 -4.981 -6.823 8.987 1.00 53.12 N ATOM 369 CA LEU A 605 -3.897 -6.136 8.318 1.00 64.13 C ATOM 370 C LEU A 605 -3.480 -4.906 9.099 1.00 32.33 C ATOM 371 O LEU A 605 -2.857 -3.987 8.585 1.00 3.34 O ATOM 372 CB LEU A 605 -4.251 -5.833 6.864 1.00 44.31 C ATOM 373 CG LEU A 605 -4.595 -7.073 6.007 1.00 41.05 C ATOM 374 CD1 LEU A 605 -4.772 -6.708 4.567 1.00 61.32 C ATOM 375 CD2 LEU A 605 -3.538 -8.148 6.135 1.00 12.12 C ATOM 0 H LEU A 605 -5.891 -6.368 8.918 1.00 53.12 H new ATOM 0 HA LEU A 605 -3.029 -6.795 8.287 1.00 64.13 H new ATOM 0 HB2 LEU A 605 -5.100 -5.150 6.847 1.00 44.31 H new ATOM 0 HB3 LEU A 605 -3.413 -5.311 6.402 1.00 44.31 H new ATOM 0 HG LEU A 605 -5.538 -7.467 6.387 1.00 41.05 H new ATOM 0 HD11 LEU A 605 -5.013 -7.602 3.992 1.00 61.32 H new ATOM 0 HD12 LEU A 605 -5.583 -5.986 4.472 1.00 61.32 H new ATOM 0 HD13 LEU A 605 -3.849 -6.270 4.187 1.00 61.32 H new ATOM 0 HD21 LEU A 605 -3.813 -9.004 5.519 1.00 12.12 H new ATOM 0 HD22 LEU A 605 -2.577 -7.755 5.802 1.00 12.12 H new ATOM 0 HD23 LEU A 605 -3.461 -8.460 7.176 1.00 12.12 H new ATOM 383 N THR A 606 -3.777 -4.954 10.359 1.00 73.00 N ATOM 384 CA THR A 606 -3.471 -3.917 11.302 1.00 73.40 C ATOM 385 C THR A 606 -1.937 -3.734 11.578 1.00 51.14 C ATOM 386 O THR A 606 -1.487 -2.599 11.707 1.00 74.14 O ATOM 387 CB THR A 606 -4.267 -4.131 12.598 1.00 42.12 C ATOM 388 OG1 THR A 606 -4.130 -5.495 13.012 1.00 13.13 O ATOM 389 CG2 THR A 606 -5.734 -3.827 12.373 1.00 63.31 C ATOM 0 H THR A 606 -4.259 -5.748 10.779 1.00 73.00 H new ATOM 0 HA THR A 606 -3.781 -2.977 10.845 1.00 73.40 H new ATOM 0 HB THR A 606 -3.880 -3.462 13.366 1.00 42.12 H new ATOM 0 HG1 THR A 606 -4.635 -5.638 13.840 1.00 13.13 H new ATOM 0 HG21 THR A 606 -6.284 -3.983 13.301 1.00 63.31 H new ATOM 0 HG22 THR A 606 -5.846 -2.791 12.055 1.00 63.31 H new ATOM 0 HG23 THR A 606 -6.128 -4.488 11.601 1.00 63.31 H new ATOM 395 N PRO A 607 -1.095 -4.834 11.674 1.00 3.55 N ATOM 396 CA PRO A 607 0.369 -4.686 11.853 1.00 12.10 C ATOM 397 C PRO A 607 1.003 -3.979 10.649 1.00 51.52 C ATOM 398 O PRO A 607 2.108 -3.430 10.726 1.00 42.01 O ATOM 399 CB PRO A 607 0.875 -6.134 11.948 1.00 2.01 C ATOM 400 CG PRO A 607 -0.319 -6.929 12.332 1.00 63.32 C ATOM 401 CD PRO A 607 -1.479 -6.267 11.665 1.00 64.41 C ATOM 0 HA PRO A 607 0.622 -4.085 12.726 1.00 12.10 H new ATOM 0 HB2 PRO A 607 1.286 -6.472 10.997 1.00 2.01 H new ATOM 0 HB3 PRO A 607 1.668 -6.228 12.690 1.00 2.01 H new ATOM 0 HG2 PRO A 607 -0.220 -7.965 12.008 1.00 63.32 H new ATOM 0 HG3 PRO A 607 -0.447 -6.945 13.414 1.00 63.32 H new ATOM 0 HD2 PRO A 607 -1.628 -6.639 10.651 1.00 64.41 H new ATOM 0 HD3 PRO A 607 -2.409 -6.439 12.207 1.00 64.41 H new ATOM 409 N LEU A 608 0.279 -4.003 9.545 1.00 45.30 N ATOM 410 CA LEU A 608 0.705 -3.395 8.303 1.00 12.55 C ATOM 411 C LEU A 608 0.519 -1.880 8.346 1.00 44.42 C ATOM 412 O LEU A 608 1.034 -1.164 7.502 1.00 32.22 O ATOM 413 CB LEU A 608 -0.047 -4.002 7.094 1.00 32.23 C ATOM 414 CG LEU A 608 0.253 -5.473 6.702 1.00 52.51 C ATOM 415 CD1 LEU A 608 -0.138 -6.451 7.790 1.00 64.22 C ATOM 416 CD2 LEU A 608 -0.448 -5.817 5.407 1.00 23.22 C ATOM 0 H LEU A 608 -0.635 -4.453 9.488 1.00 45.30 H new ATOM 0 HA LEU A 608 1.767 -3.607 8.179 1.00 12.55 H new ATOM 0 HB2 LEU A 608 -1.116 -3.923 7.294 1.00 32.23 H new ATOM 0 HB3 LEU A 608 0.162 -3.378 6.225 1.00 32.23 H new ATOM 0 HG LEU A 608 1.331 -5.561 6.567 1.00 52.51 H new ATOM 0 HD11 LEU A 608 0.092 -7.466 7.467 1.00 64.22 H new ATOM 0 HD12 LEU A 608 0.418 -6.225 8.700 1.00 64.22 H new ATOM 0 HD13 LEU A 608 -1.207 -6.367 7.988 1.00 64.22 H new ATOM 0 HD21 LEU A 608 -0.232 -6.851 5.140 1.00 23.22 H new ATOM 0 HD22 LEU A 608 -1.524 -5.692 5.531 1.00 23.22 H new ATOM 0 HD23 LEU A 608 -0.095 -5.156 4.615 1.00 23.22 H new ATOM 424 N THR A 609 -0.237 -1.414 9.309 1.00 14.41 N ATOM 425 CA THR A 609 -0.442 0.003 9.515 1.00 53.20 C ATOM 426 C THR A 609 0.790 0.593 10.181 1.00 51.51 C ATOM 427 O THR A 609 1.247 0.093 11.216 1.00 21.31 O ATOM 428 CB THR A 609 -1.674 0.243 10.420 1.00 12.41 C ATOM 429 OG1 THR A 609 -2.809 -0.469 9.892 1.00 55.52 O ATOM 430 CG2 THR A 609 -2.017 1.720 10.499 1.00 63.51 C ATOM 0 H THR A 609 -0.731 -2.007 9.976 1.00 14.41 H new ATOM 0 HA THR A 609 -0.613 0.481 8.550 1.00 53.20 H new ATOM 0 HB THR A 609 -1.432 -0.116 11.420 1.00 12.41 H new ATOM 0 HG1 THR A 609 -2.822 -0.386 8.916 1.00 55.52 H new ATOM 0 HG21 THR A 609 -2.887 1.858 11.142 1.00 63.51 H new ATOM 0 HG22 THR A 609 -1.170 2.269 10.912 1.00 63.51 H new ATOM 0 HG23 THR A 609 -2.241 2.095 9.500 1.00 63.51 H new ATOM 436 N LYS A 610 1.325 1.629 9.598 1.00 1.13 N ATOM 437 CA LYS A 610 2.469 2.281 10.148 1.00 41.15 C ATOM 438 C LYS A 610 2.235 3.779 10.200 1.00 73.24 C ATOM 439 O LYS A 610 1.616 4.352 9.304 1.00 70.02 O ATOM 440 CB LYS A 610 3.716 2.002 9.308 1.00 40.44 C ATOM 441 CG LYS A 610 4.103 0.540 9.171 1.00 45.02 C ATOM 442 CD LYS A 610 5.414 0.386 8.402 1.00 43.53 C ATOM 443 CE LYS A 610 6.626 0.798 9.223 1.00 11.43 C ATOM 444 NZ LYS A 610 6.846 -0.113 10.369 1.00 73.21 N ATOM 0 H LYS A 610 0.978 2.040 8.731 1.00 1.13 H new ATOM 0 HA LYS A 610 2.626 1.892 11.154 1.00 41.15 H new ATOM 0 HB2 LYS A 610 3.559 2.412 8.310 1.00 40.44 H new ATOM 0 HB3 LYS A 610 4.555 2.542 9.746 1.00 40.44 H new ATOM 0 HG2 LYS A 610 4.204 0.093 10.160 1.00 45.02 H new ATOM 0 HG3 LYS A 610 3.310 -0.002 8.656 1.00 45.02 H new ATOM 0 HD2 LYS A 610 5.528 -0.652 8.089 1.00 43.53 H new ATOM 0 HD3 LYS A 610 5.372 0.989 7.495 1.00 43.53 H new ATOM 0 HE2 LYS A 610 7.511 0.804 8.587 1.00 11.43 H new ATOM 0 HE3 LYS A 610 6.489 1.816 9.588 1.00 11.43 H new ATOM 0 HZ1 LYS A 610 7.802 0.035 10.751 1.00 73.21 H new ATOM 0 HZ2 LYS A 610 6.143 0.084 11.109 1.00 73.21 H new ATOM 0 HZ3 LYS A 610 6.748 -1.099 10.053 1.00 73.21 H new ATOM 458 N LYS A 611 2.725 4.403 11.238 1.00 51.22 N ATOM 459 CA LYS A 611 2.631 5.835 11.395 1.00 61.00 C ATOM 460 C LYS A 611 3.563 6.482 10.393 1.00 41.53 C ATOM 461 O LYS A 611 3.233 7.467 9.741 1.00 14.10 O ATOM 462 CB LYS A 611 3.051 6.221 12.807 1.00 5.40 C ATOM 463 CG LYS A 611 2.752 7.665 13.178 1.00 34.22 C ATOM 464 CD LYS A 611 1.253 7.953 13.133 1.00 22.12 C ATOM 465 CE LYS A 611 0.967 9.389 13.509 1.00 33.54 C ATOM 466 NZ LYS A 611 -0.477 9.710 13.470 1.00 2.41 N ATOM 0 H LYS A 611 3.204 3.931 12.005 1.00 51.22 H new ATOM 0 HA LYS A 611 1.607 6.168 11.227 1.00 61.00 H new ATOM 0 HB2 LYS A 611 2.546 5.564 13.516 1.00 5.40 H new ATOM 0 HB3 LYS A 611 4.121 6.045 12.916 1.00 5.40 H new ATOM 0 HG2 LYS A 611 3.134 7.872 14.178 1.00 34.22 H new ATOM 0 HG3 LYS A 611 3.273 8.334 12.493 1.00 34.22 H new ATOM 0 HD2 LYS A 611 0.870 7.752 12.132 1.00 22.12 H new ATOM 0 HD3 LYS A 611 0.729 7.283 13.815 1.00 22.12 H new ATOM 0 HE2 LYS A 611 1.352 9.582 14.510 1.00 33.54 H new ATOM 0 HE3 LYS A 611 1.502 10.052 12.829 1.00 33.54 H new ATOM 0 HZ1 LYS A 611 -0.619 10.705 13.736 1.00 2.41 H new ATOM 0 HZ2 LYS A 611 -0.842 9.553 12.509 1.00 2.41 H new ATOM 0 HZ3 LYS A 611 -0.987 9.097 14.138 1.00 2.41 H new ATOM 480 N ASP A 612 4.724 5.871 10.276 1.00 35.03 N ATOM 481 CA ASP A 612 5.779 6.307 9.358 1.00 21.34 C ATOM 482 C ASP A 612 5.364 6.044 7.913 1.00 42.43 C ATOM 483 O ASP A 612 5.759 6.772 6.987 1.00 34.45 O ATOM 484 CB ASP A 612 7.078 5.568 9.696 1.00 31.25 C ATOM 485 CG ASP A 612 8.219 5.871 8.754 1.00 13.33 C ATOM 486 OD1 ASP A 612 8.838 6.949 8.864 1.00 75.34 O ATOM 487 OD2 ASP A 612 8.552 5.012 7.918 1.00 3.54 O ATOM 0 H ASP A 612 4.974 5.045 10.820 1.00 35.03 H new ATOM 0 HA ASP A 612 5.941 7.379 9.470 1.00 21.34 H new ATOM 0 HB2 ASP A 612 7.379 5.829 10.711 1.00 31.25 H new ATOM 0 HB3 ASP A 612 6.887 4.495 9.686 1.00 31.25 H new ATOM 492 N ALA A 613 4.539 5.003 7.747 1.00 23.24 N ATOM 493 CA ALA A 613 3.957 4.602 6.468 1.00 74.34 C ATOM 494 C ALA A 613 4.976 4.011 5.488 1.00 5.35 C ATOM 495 O ALA A 613 6.176 3.971 5.753 1.00 21.12 O ATOM 496 CB ALA A 613 3.188 5.747 5.850 1.00 30.13 C ATOM 0 H ALA A 613 4.253 4.403 8.521 1.00 23.24 H new ATOM 0 HA ALA A 613 3.262 3.791 6.685 1.00 74.34 H new ATOM 0 HB1 ALA A 613 2.763 5.428 4.898 1.00 30.13 H new ATOM 0 HB2 ALA A 613 2.386 6.051 6.522 1.00 30.13 H new ATOM 0 HB3 ALA A 613 3.860 6.589 5.683 1.00 30.13 H new ATOM 502 N TYR A 614 4.475 3.557 4.361 1.00 65.22 N ATOM 503 CA TYR A 614 5.281 2.909 3.345 1.00 13.43 C ATOM 504 C TYR A 614 5.542 3.845 2.196 1.00 33.45 C ATOM 505 O TYR A 614 4.692 4.680 1.876 1.00 43.33 O ATOM 506 CB TYR A 614 4.565 1.658 2.832 1.00 31.50 C ATOM 507 CG TYR A 614 4.422 0.555 3.859 1.00 24.21 C ATOM 508 CD1 TYR A 614 3.511 0.646 4.910 1.00 34.14 C ATOM 509 CD2 TYR A 614 5.210 -0.584 3.776 1.00 34.31 C ATOM 510 CE1 TYR A 614 3.405 -0.358 5.825 1.00 12.24 C ATOM 511 CE2 TYR A 614 5.101 -1.592 4.697 1.00 4.04 C ATOM 512 CZ TYR A 614 4.196 -1.473 5.718 1.00 60.42 C ATOM 513 OH TYR A 614 4.081 -2.462 6.637 1.00 3.43 O ATOM 0 H TYR A 614 3.486 3.627 4.119 1.00 65.22 H new ATOM 0 HA TYR A 614 6.235 2.627 3.791 1.00 13.43 H new ATOM 0 HB2 TYR A 614 3.573 1.941 2.479 1.00 31.50 H new ATOM 0 HB3 TYR A 614 5.110 1.269 1.972 1.00 31.50 H new ATOM 0 HD1 TYR A 614 2.883 1.520 5.000 1.00 34.14 H new ATOM 0 HD2 TYR A 614 5.923 -0.678 2.970 1.00 34.31 H new ATOM 0 HE1 TYR A 614 2.697 -0.275 6.636 1.00 12.24 H new ATOM 0 HE2 TYR A 614 5.722 -2.472 4.619 1.00 4.04 H new ATOM 0 HH TYR A 614 3.162 -2.487 6.978 1.00 3.43 H new ATOM 523 N LYS A 615 6.698 3.722 1.577 1.00 43.30 N ATOM 524 CA LYS A 615 7.030 4.549 0.448 1.00 52.54 C ATOM 525 C LYS A 615 7.533 3.713 -0.710 1.00 70.00 C ATOM 526 O LYS A 615 8.488 2.941 -0.579 1.00 5.02 O ATOM 527 CB LYS A 615 8.096 5.594 0.783 1.00 21.33 C ATOM 528 CG LYS A 615 8.405 6.515 -0.384 1.00 32.41 C ATOM 529 CD LYS A 615 9.686 7.332 -0.167 1.00 1.34 C ATOM 530 CE LYS A 615 9.679 8.146 1.110 1.00 73.22 C ATOM 531 NZ LYS A 615 10.865 9.012 1.221 1.00 22.00 N ATOM 0 H LYS A 615 7.422 3.054 1.842 1.00 43.30 H new ATOM 0 HA LYS A 615 6.109 5.062 0.172 1.00 52.54 H new ATOM 0 HB2 LYS A 615 7.760 6.190 1.631 1.00 21.33 H new ATOM 0 HB3 LYS A 615 9.010 5.087 1.092 1.00 21.33 H new ATOM 0 HG2 LYS A 615 8.506 5.922 -1.293 1.00 32.41 H new ATOM 0 HG3 LYS A 615 7.567 7.194 -0.538 1.00 32.41 H new ATOM 0 HD2 LYS A 615 10.540 6.655 -0.151 1.00 1.34 H new ATOM 0 HD3 LYS A 615 9.827 8.003 -1.014 1.00 1.34 H new ATOM 0 HE2 LYS A 615 8.778 8.759 1.144 1.00 73.22 H new ATOM 0 HE3 LYS A 615 9.640 7.474 1.967 1.00 73.22 H new ATOM 0 HZ1 LYS A 615 10.819 9.551 2.109 1.00 22.00 H new ATOM 0 HZ2 LYS A 615 11.724 8.426 1.215 1.00 22.00 H new ATOM 0 HZ3 LYS A 615 10.890 9.671 0.417 1.00 22.00 H new ATOM 545 N VAL A 616 6.897 3.875 -1.818 1.00 64.51 N ATOM 546 CA VAL A 616 7.310 3.261 -3.045 1.00 13.10 C ATOM 547 C VAL A 616 7.942 4.358 -3.870 1.00 0.44 C ATOM 548 O VAL A 616 7.374 5.432 -3.997 1.00 32.41 O ATOM 549 CB VAL A 616 6.108 2.705 -3.827 1.00 50.21 C ATOM 550 CG1 VAL A 616 6.560 1.968 -5.080 1.00 73.05 C ATOM 551 CG2 VAL A 616 5.226 1.824 -2.955 1.00 15.25 C ATOM 0 H VAL A 616 6.058 4.448 -1.905 1.00 64.51 H new ATOM 0 HA VAL A 616 7.989 2.434 -2.838 1.00 13.10 H new ATOM 0 HB VAL A 616 5.503 3.556 -4.141 1.00 50.21 H new ATOM 0 HG11 VAL A 616 5.689 1.586 -5.612 1.00 73.05 H new ATOM 0 HG12 VAL A 616 7.109 2.653 -5.727 1.00 73.05 H new ATOM 0 HG13 VAL A 616 7.207 1.137 -4.800 1.00 73.05 H new ATOM 0 HG21 VAL A 616 4.388 1.451 -3.544 1.00 15.25 H new ATOM 0 HG22 VAL A 616 5.809 0.983 -2.580 1.00 15.25 H new ATOM 0 HG23 VAL A 616 4.848 2.406 -2.115 1.00 15.25 H new ATOM 557 N GLU A 617 9.079 4.114 -4.409 1.00 12.25 N ATOM 558 CA GLU A 617 9.795 5.134 -5.148 1.00 41.33 C ATOM 559 C GLU A 617 9.916 4.765 -6.605 1.00 23.04 C ATOM 560 O GLU A 617 10.187 3.604 -6.940 1.00 11.12 O ATOM 561 CB GLU A 617 11.175 5.374 -4.529 1.00 22.32 C ATOM 562 CG GLU A 617 11.112 5.949 -3.122 1.00 12.24 C ATOM 563 CD GLU A 617 12.465 6.091 -2.473 1.00 64.45 C ATOM 564 OE1 GLU A 617 13.246 6.986 -2.873 1.00 11.45 O ATOM 565 OE2 GLU A 617 12.774 5.310 -1.560 1.00 72.44 O ATOM 0 H GLU A 617 9.553 3.212 -4.362 1.00 12.25 H new ATOM 0 HA GLU A 617 9.225 6.061 -5.087 1.00 41.33 H new ATOM 0 HB2 GLU A 617 11.723 4.432 -4.505 1.00 22.32 H new ATOM 0 HB3 GLU A 617 11.738 6.055 -5.167 1.00 22.32 H new ATOM 0 HG2 GLU A 617 10.630 6.926 -3.158 1.00 12.24 H new ATOM 0 HG3 GLU A 617 10.486 5.307 -2.503 1.00 12.24 H new ATOM 572 N THR A 618 9.706 5.730 -7.469 1.00 13.01 N ATOM 573 CA THR A 618 9.825 5.518 -8.874 1.00 1.45 C ATOM 574 C THR A 618 10.945 6.420 -9.373 1.00 23.04 C ATOM 575 O THR A 618 11.788 6.855 -8.568 1.00 72.05 O ATOM 576 CB THR A 618 8.490 5.848 -9.598 1.00 75.01 C ATOM 577 OG1 THR A 618 8.145 7.224 -9.409 1.00 63.14 O ATOM 578 CG2 THR A 618 7.355 4.978 -9.073 1.00 31.50 C ATOM 0 H THR A 618 9.448 6.682 -7.207 1.00 13.01 H new ATOM 0 HA THR A 618 10.052 4.473 -9.084 1.00 1.45 H new ATOM 0 HB THR A 618 8.633 5.647 -10.660 1.00 75.01 H new ATOM 0 HG1 THR A 618 8.241 7.458 -8.462 1.00 63.14 H new ATOM 0 HG21 THR A 618 6.432 5.229 -9.596 1.00 31.50 H new ATOM 0 HG22 THR A 618 7.594 3.928 -9.242 1.00 31.50 H new ATOM 0 HG23 THR A 618 7.226 5.154 -8.005 1.00 31.50 H new ATOM 584 N ASP A 619 10.984 6.697 -10.653 1.00 72.13 N ATOM 585 CA ASP A 619 12.017 7.559 -11.190 1.00 44.03 C ATOM 586 C ASP A 619 11.867 8.979 -10.681 1.00 65.35 C ATOM 587 O ASP A 619 12.831 9.594 -10.240 1.00 41.14 O ATOM 588 CB ASP A 619 12.022 7.549 -12.720 1.00 74.34 C ATOM 589 CG ASP A 619 13.075 8.475 -13.296 1.00 35.32 C ATOM 590 OD1 ASP A 619 14.281 8.161 -13.196 1.00 23.43 O ATOM 591 OD2 ASP A 619 12.705 9.519 -13.869 1.00 3.14 O ATOM 0 H ASP A 619 10.319 6.343 -11.341 1.00 72.13 H new ATOM 0 HA ASP A 619 12.972 7.163 -10.844 1.00 44.03 H new ATOM 0 HB2 ASP A 619 12.201 6.534 -13.074 1.00 74.34 H new ATOM 0 HB3 ASP A 619 11.040 7.846 -13.087 1.00 74.34 H new ATOM 596 N LYS A 620 10.656 9.494 -10.709 1.00 51.35 N ATOM 597 CA LYS A 620 10.448 10.886 -10.334 1.00 11.23 C ATOM 598 C LYS A 620 9.378 11.090 -9.293 1.00 52.12 C ATOM 599 O LYS A 620 9.059 12.233 -8.950 1.00 71.43 O ATOM 600 CB LYS A 620 10.132 11.723 -11.568 1.00 35.12 C ATOM 601 CG LYS A 620 11.273 11.868 -12.559 1.00 11.04 C ATOM 602 CD LYS A 620 10.825 12.556 -13.840 1.00 32.20 C ATOM 603 CE LYS A 620 9.886 11.673 -14.655 1.00 13.12 C ATOM 604 NZ LYS A 620 10.584 10.479 -15.193 1.00 62.44 N ATOM 0 H LYS A 620 9.814 8.987 -10.981 1.00 51.35 H new ATOM 0 HA LYS A 620 11.383 11.213 -9.880 1.00 11.23 H new ATOM 0 HB2 LYS A 620 9.280 11.277 -12.082 1.00 35.12 H new ATOM 0 HB3 LYS A 620 9.824 12.717 -11.244 1.00 35.12 H new ATOM 0 HG2 LYS A 620 12.080 12.440 -12.102 1.00 11.04 H new ATOM 0 HG3 LYS A 620 11.675 10.883 -12.797 1.00 11.04 H new ATOM 0 HD2 LYS A 620 10.323 13.492 -13.594 1.00 32.20 H new ATOM 0 HD3 LYS A 620 11.698 12.811 -14.441 1.00 32.20 H new ATOM 0 HE2 LYS A 620 9.051 11.356 -14.030 1.00 13.12 H new ATOM 0 HE3 LYS A 620 9.466 12.251 -15.478 1.00 13.12 H new ATOM 0 HZ1 LYS A 620 10.606 10.528 -16.232 1.00 62.44 H new ATOM 0 HZ2 LYS A 620 11.557 10.452 -14.827 1.00 62.44 H new ATOM 0 HZ3 LYS A 620 10.079 9.619 -14.898 1.00 62.44 H new ATOM 618 N TYR A 621 8.833 10.039 -8.770 1.00 12.11 N ATOM 619 CA TYR A 621 7.755 10.173 -7.816 1.00 71.10 C ATOM 620 C TYR A 621 7.937 9.184 -6.696 1.00 41.40 C ATOM 621 O TYR A 621 8.738 8.247 -6.804 1.00 11.13 O ATOM 622 CB TYR A 621 6.380 9.928 -8.512 1.00 30.31 C ATOM 623 CG TYR A 621 6.075 10.882 -9.664 1.00 54.35 C ATOM 624 CD1 TYR A 621 6.691 10.726 -10.896 1.00 2.54 C ATOM 625 CD2 TYR A 621 5.191 11.930 -9.515 1.00 23.11 C ATOM 626 CE1 TYR A 621 6.445 11.580 -11.937 1.00 24.52 C ATOM 627 CE2 TYR A 621 4.934 12.792 -10.567 1.00 52.44 C ATOM 628 CZ TYR A 621 5.570 12.608 -11.774 1.00 11.32 C ATOM 629 OH TYR A 621 5.329 13.468 -12.827 1.00 75.43 O ATOM 0 H TYR A 621 9.107 9.079 -8.979 1.00 12.11 H new ATOM 0 HA TYR A 621 7.771 11.185 -7.412 1.00 71.10 H new ATOM 0 HB2 TYR A 621 6.354 8.905 -8.888 1.00 30.31 H new ATOM 0 HB3 TYR A 621 5.589 10.014 -7.767 1.00 30.31 H new ATOM 0 HD1 TYR A 621 7.383 9.909 -11.038 1.00 2.54 H new ATOM 0 HD2 TYR A 621 4.694 12.080 -8.568 1.00 23.11 H new ATOM 0 HE1 TYR A 621 6.944 11.438 -12.884 1.00 24.52 H new ATOM 0 HE2 TYR A 621 4.236 13.607 -10.441 1.00 52.44 H new ATOM 0 HH TYR A 621 4.679 14.148 -12.552 1.00 75.43 H new ATOM 639 N GLU A 622 7.266 9.421 -5.622 1.00 41.14 N ATOM 640 CA GLU A 622 7.178 8.463 -4.580 1.00 15.22 C ATOM 641 C GLU A 622 5.738 8.348 -4.241 1.00 70.45 C ATOM 642 O GLU A 622 4.966 9.305 -4.435 1.00 64.01 O ATOM 643 CB GLU A 622 7.939 8.841 -3.293 1.00 43.42 C ATOM 644 CG GLU A 622 7.317 9.993 -2.516 1.00 4.15 C ATOM 645 CD GLU A 622 7.889 10.159 -1.128 1.00 55.30 C ATOM 646 OE1 GLU A 622 8.938 10.805 -0.981 1.00 13.40 O ATOM 647 OE2 GLU A 622 7.289 9.621 -0.145 1.00 12.34 O ATOM 0 H GLU A 622 6.761 10.289 -5.443 1.00 41.14 H new ATOM 0 HA GLU A 622 7.632 7.540 -4.939 1.00 15.22 H new ATOM 0 HB2 GLU A 622 7.991 7.966 -2.645 1.00 43.42 H new ATOM 0 HB3 GLU A 622 8.964 9.105 -3.554 1.00 43.42 H new ATOM 0 HG2 GLU A 622 7.463 10.918 -3.074 1.00 4.15 H new ATOM 0 HG3 GLU A 622 6.242 9.832 -2.441 1.00 4.15 H new ATOM 654 N PHE A 623 5.360 7.230 -3.787 1.00 45.24 N ATOM 655 CA PHE A 623 4.048 7.046 -3.321 1.00 73.51 C ATOM 656 C PHE A 623 4.162 6.634 -1.893 1.00 40.12 C ATOM 657 O PHE A 623 4.813 5.634 -1.583 1.00 11.23 O ATOM 658 CB PHE A 623 3.342 5.956 -4.125 1.00 43.43 C ATOM 659 CG PHE A 623 3.252 6.234 -5.604 1.00 71.00 C ATOM 660 CD1 PHE A 623 4.297 5.903 -6.452 1.00 32.52 C ATOM 661 CD2 PHE A 623 2.126 6.821 -6.147 1.00 12.12 C ATOM 662 CE1 PHE A 623 4.216 6.155 -7.797 1.00 74.34 C ATOM 663 CE2 PHE A 623 2.044 7.074 -7.496 1.00 44.44 C ATOM 664 CZ PHE A 623 3.092 6.741 -8.322 1.00 71.12 C ATOM 0 H PHE A 623 5.955 6.404 -3.725 1.00 45.24 H new ATOM 0 HA PHE A 623 3.464 7.960 -3.427 1.00 73.51 H new ATOM 0 HB2 PHE A 623 3.868 5.013 -3.976 1.00 43.43 H new ATOM 0 HB3 PHE A 623 2.335 5.825 -3.730 1.00 43.43 H new ATOM 0 HD1 PHE A 623 5.186 5.441 -6.048 1.00 32.52 H new ATOM 0 HD2 PHE A 623 1.299 7.085 -5.504 1.00 12.12 H new ATOM 0 HE1 PHE A 623 5.039 5.892 -8.445 1.00 74.34 H new ATOM 0 HE2 PHE A 623 1.157 7.534 -7.907 1.00 44.44 H new ATOM 0 HZ PHE A 623 3.030 6.940 -9.382 1.00 71.12 H new ATOM 674 N HIS A 624 3.568 7.371 -1.032 1.00 4.51 N ATOM 675 CA HIS A 624 3.605 7.051 0.336 1.00 75.41 C ATOM 676 C HIS A 624 2.204 6.658 0.717 1.00 60.54 C ATOM 677 O HIS A 624 1.273 7.443 0.563 1.00 72.21 O ATOM 678 CB HIS A 624 4.044 8.282 1.117 1.00 13.40 C ATOM 679 CG HIS A 624 5.036 7.992 2.180 1.00 22.12 C ATOM 680 ND1 HIS A 624 6.363 8.270 2.038 1.00 75.05 N ATOM 681 CD2 HIS A 624 4.898 7.446 3.398 1.00 24.23 C ATOM 682 CE1 HIS A 624 7.004 7.893 3.123 1.00 50.52 C ATOM 683 NE2 HIS A 624 6.135 7.394 3.967 1.00 73.22 N ATOM 0 H HIS A 624 3.042 8.215 -1.260 1.00 4.51 H new ATOM 0 HA HIS A 624 4.303 6.243 0.552 1.00 75.41 H new ATOM 0 HB2 HIS A 624 4.469 9.008 0.424 1.00 13.40 H new ATOM 0 HB3 HIS A 624 3.167 8.747 1.568 1.00 13.40 H new ATOM 0 HD1 HIS A 624 6.791 8.702 1.219 1.00 75.05 H new ATOM 0 HD2 HIS A 624 3.975 7.109 3.846 1.00 24.23 H new ATOM 0 HE1 HIS A 624 8.067 7.980 3.290 1.00 50.52 H new ATOM 0 HE2 HIS A 624 6.349 7.028 4.895 1.00 73.22 H new ATOM 692 N ILE A 625 2.047 5.486 1.230 1.00 45.40 N ATOM 693 CA ILE A 625 0.733 4.956 1.516 1.00 33.55 C ATOM 694 C ILE A 625 0.775 4.221 2.824 1.00 43.20 C ATOM 695 O ILE A 625 1.852 3.803 3.282 1.00 60.31 O ATOM 696 CB ILE A 625 0.227 3.966 0.402 1.00 31.32 C ATOM 697 CG1 ILE A 625 1.099 2.718 0.376 1.00 31.52 C ATOM 698 CG2 ILE A 625 0.196 4.632 -0.976 1.00 70.43 C ATOM 699 CD1 ILE A 625 0.741 1.714 -0.705 1.00 64.31 C ATOM 0 H ILE A 625 2.816 4.859 1.467 1.00 45.40 H new ATOM 0 HA ILE A 625 0.043 5.799 1.554 1.00 33.55 H new ATOM 0 HB ILE A 625 -0.796 3.680 0.647 1.00 31.32 H new ATOM 0 HG12 ILE A 625 2.138 3.020 0.242 1.00 31.52 H new ATOM 0 HG13 ILE A 625 1.033 2.225 1.346 1.00 31.52 H new ATOM 0 HG21 ILE A 625 -0.159 3.917 -1.718 1.00 70.43 H new ATOM 0 HG22 ILE A 625 -0.475 5.491 -0.950 1.00 70.43 H new ATOM 0 HG23 ILE A 625 1.200 4.964 -1.242 1.00 70.43 H new ATOM 0 HD11 ILE A 625 1.415 0.860 -0.646 1.00 64.31 H new ATOM 0 HD12 ILE A 625 -0.286 1.377 -0.563 1.00 64.31 H new ATOM 0 HD13 ILE A 625 0.836 2.184 -1.684 1.00 64.31 H new ATOM 706 N ASN A 626 -0.338 4.103 3.436 1.00 32.00 N ATOM 707 CA ASN A 626 -0.441 3.372 4.670 1.00 43.32 C ATOM 708 C ASN A 626 -1.671 2.492 4.629 1.00 41.03 C ATOM 709 O ASN A 626 -2.685 2.882 4.062 1.00 62.34 O ATOM 710 CB ASN A 626 -0.555 4.338 5.851 1.00 30.14 C ATOM 711 CG ASN A 626 -0.560 3.624 7.183 1.00 11.05 C ATOM 712 OD1 ASN A 626 0.068 2.578 7.342 1.00 74.30 O ATOM 713 ND2 ASN A 626 -1.275 4.158 8.132 1.00 43.53 N ATOM 0 H ASN A 626 -1.216 4.506 3.108 1.00 32.00 H new ATOM 0 HA ASN A 626 0.453 2.761 4.794 1.00 43.32 H new ATOM 0 HB2 ASN A 626 0.277 5.042 5.823 1.00 30.14 H new ATOM 0 HB3 ASN A 626 -1.470 4.922 5.752 1.00 30.14 H new ATOM 0 HD21 ASN A 626 -1.328 3.708 9.046 1.00 43.53 H new ATOM 0 HD22 ASN A 626 -1.782 5.027 7.961 1.00 43.53 H new ATOM 719 N VAL A 627 -1.574 1.305 5.191 1.00 73.34 N ATOM 720 CA VAL A 627 -2.723 0.439 5.321 1.00 50.25 C ATOM 721 C VAL A 627 -3.488 0.858 6.519 1.00 60.24 C ATOM 722 O VAL A 627 -2.954 0.824 7.612 1.00 72.34 O ATOM 723 CB VAL A 627 -2.345 -1.059 5.486 1.00 61.11 C ATOM 724 CG1 VAL A 627 -3.584 -1.892 5.832 1.00 72.04 C ATOM 725 CG2 VAL A 627 -1.742 -1.579 4.213 1.00 30.22 C ATOM 0 H VAL A 627 -0.707 0.919 5.566 1.00 73.34 H new ATOM 0 HA VAL A 627 -3.304 0.530 4.403 1.00 50.25 H new ATOM 0 HB VAL A 627 -1.621 -1.142 6.297 1.00 61.11 H new ATOM 0 HG11 VAL A 627 -3.299 -2.938 5.944 1.00 72.04 H new ATOM 0 HG12 VAL A 627 -4.016 -1.532 6.766 1.00 72.04 H new ATOM 0 HG13 VAL A 627 -4.320 -1.799 5.033 1.00 72.04 H new ATOM 0 HG21 VAL A 627 -1.480 -2.630 4.337 1.00 30.22 H new ATOM 0 HG22 VAL A 627 -2.463 -1.478 3.401 1.00 30.22 H new ATOM 0 HG23 VAL A 627 -0.845 -1.007 3.975 1.00 30.22 H new ATOM 731 N CYS A 628 -4.718 1.268 6.294 1.00 73.50 N ATOM 732 CA CYS A 628 -5.669 1.665 7.319 1.00 44.11 C ATOM 733 C CYS A 628 -5.352 3.060 7.828 1.00 62.22 C ATOM 734 O CYS A 628 -4.191 3.463 7.928 1.00 72.12 O ATOM 735 CB CYS A 628 -5.630 0.636 8.472 1.00 33.42 C ATOM 736 SG CYS A 628 -6.869 0.792 9.795 1.00 25.31 S ATOM 0 H CYS A 628 -5.102 1.338 5.352 1.00 73.50 H new ATOM 0 HA CYS A 628 -6.673 1.688 6.894 1.00 44.11 H new ATOM 0 HB2 CYS A 628 -5.729 -0.358 8.036 1.00 33.42 H new ATOM 0 HB3 CYS A 628 -4.643 0.686 8.931 1.00 33.42 H new ATOM 741 N GLY A 629 -6.387 3.775 8.152 1.00 32.23 N ATOM 742 CA GLY A 629 -6.246 5.078 8.717 1.00 62.41 C ATOM 743 C GLY A 629 -5.666 6.059 7.738 1.00 74.15 C ATOM 744 O GLY A 629 -5.905 5.971 6.525 1.00 51.13 O ATOM 0 H GLY A 629 -7.352 3.469 8.031 1.00 32.23 H new ATOM 0 HA2 GLY A 629 -7.220 5.434 9.053 1.00 62.41 H new ATOM 0 HA3 GLY A 629 -5.606 5.024 9.597 1.00 62.41 H new ATOM 748 N PRO A 630 -4.954 7.024 8.243 1.00 44.21 N ATOM 749 CA PRO A 630 -4.284 8.013 7.463 1.00 74.51 C ATOM 750 C PRO A 630 -2.787 7.704 7.277 1.00 71.05 C ATOM 751 O PRO A 630 -2.238 6.751 7.860 1.00 73.11 O ATOM 752 CB PRO A 630 -4.445 9.258 8.334 1.00 4.41 C ATOM 753 CG PRO A 630 -4.914 8.758 9.685 1.00 33.02 C ATOM 754 CD PRO A 630 -4.790 7.288 9.651 1.00 22.40 C ATOM 0 HA PRO A 630 -4.687 8.093 6.453 1.00 74.51 H new ATOM 0 HB2 PRO A 630 -3.502 9.798 8.423 1.00 4.41 H new ATOM 0 HB3 PRO A 630 -5.168 9.948 7.900 1.00 4.41 H new ATOM 0 HG2 PRO A 630 -4.309 9.180 10.487 1.00 33.02 H new ATOM 0 HG3 PRO A 630 -5.945 9.057 9.873 1.00 33.02 H new ATOM 0 HD2 PRO A 630 -3.824 6.948 10.023 1.00 22.40 H new ATOM 0 HD3 PRO A 630 -5.554 6.797 10.253 1.00 22.40 H new ATOM 762 N VAL A 631 -2.144 8.508 6.482 1.00 63.32 N ATOM 763 CA VAL A 631 -0.742 8.401 6.246 1.00 43.11 C ATOM 764 C VAL A 631 -0.082 9.641 6.832 1.00 22.10 C ATOM 765 O VAL A 631 -0.615 10.760 6.705 1.00 24.41 O ATOM 766 CB VAL A 631 -0.422 8.273 4.715 1.00 11.43 C ATOM 767 CG1 VAL A 631 -0.731 9.522 3.910 1.00 51.51 C ATOM 768 CG2 VAL A 631 0.976 7.793 4.470 1.00 40.25 C ATOM 0 H VAL A 631 -2.592 9.269 5.972 1.00 63.32 H new ATOM 0 HA VAL A 631 -0.356 7.499 6.720 1.00 43.11 H new ATOM 0 HB VAL A 631 -1.108 7.510 4.347 1.00 11.43 H new ATOM 0 HG11 VAL A 631 -0.482 9.351 2.863 1.00 51.51 H new ATOM 0 HG12 VAL A 631 -1.792 9.758 3.997 1.00 51.51 H new ATOM 0 HG13 VAL A 631 -0.142 10.356 4.292 1.00 51.51 H new ATOM 0 HG21 VAL A 631 1.153 7.720 3.397 1.00 40.25 H new ATOM 0 HG22 VAL A 631 1.684 8.497 4.907 1.00 40.25 H new ATOM 0 HG23 VAL A 631 1.110 6.813 4.928 1.00 40.25 H new ATOM 774 N SER A 632 1.006 9.472 7.518 1.00 11.04 N ATOM 775 CA SER A 632 1.662 10.605 8.073 1.00 44.45 C ATOM 776 C SER A 632 2.879 10.971 7.237 1.00 53.22 C ATOM 777 O SER A 632 4.005 10.502 7.478 1.00 70.44 O ATOM 778 CB SER A 632 2.005 10.388 9.555 1.00 74.35 C ATOM 779 OG SER A 632 2.542 11.559 10.151 1.00 22.22 O ATOM 0 H SER A 632 1.450 8.573 7.703 1.00 11.04 H new ATOM 0 HA SER A 632 0.978 11.453 8.043 1.00 44.45 H new ATOM 0 HB2 SER A 632 1.108 10.085 10.095 1.00 74.35 H new ATOM 0 HB3 SER A 632 2.723 9.573 9.646 1.00 74.35 H new ATOM 0 HG SER A 632 2.746 11.382 11.093 1.00 22.22 H new ATOM 785 N VAL A 633 2.628 11.711 6.185 1.00 51.03 N ATOM 786 CA VAL A 633 3.684 12.211 5.333 1.00 41.42 C ATOM 787 C VAL A 633 3.658 13.732 5.427 1.00 55.14 C ATOM 788 O VAL A 633 2.601 14.319 5.665 1.00 44.24 O ATOM 789 CB VAL A 633 3.452 11.814 3.846 1.00 1.12 C ATOM 790 CG1 VAL A 633 4.717 11.946 3.031 1.00 3.11 C ATOM 791 CG2 VAL A 633 2.901 10.434 3.730 1.00 22.11 C ATOM 0 H VAL A 633 1.689 11.984 5.894 1.00 51.03 H new ATOM 0 HA VAL A 633 4.636 11.789 5.656 1.00 41.42 H new ATOM 0 HB VAL A 633 2.716 12.510 3.443 1.00 1.12 H new ATOM 0 HG11 VAL A 633 4.516 11.660 1.998 1.00 3.11 H new ATOM 0 HG12 VAL A 633 5.063 12.979 3.061 1.00 3.11 H new ATOM 0 HG13 VAL A 633 5.486 11.294 3.445 1.00 3.11 H new ATOM 0 HG21 VAL A 633 2.751 10.189 2.678 1.00 22.11 H new ATOM 0 HG22 VAL A 633 3.601 9.724 4.172 1.00 22.11 H new ATOM 0 HG23 VAL A 633 1.947 10.378 4.255 1.00 22.11 H new ATOM 797 N GLY A 634 4.784 14.365 5.225 1.00 4.20 N ATOM 798 CA GLY A 634 4.838 15.810 5.300 1.00 12.05 C ATOM 799 C GLY A 634 4.539 16.463 3.963 1.00 3.21 C ATOM 800 O GLY A 634 4.772 17.667 3.776 1.00 41.03 O ATOM 0 H GLY A 634 5.672 13.912 5.009 1.00 4.20 H new ATOM 0 HA2 GLY A 634 4.121 16.161 6.043 1.00 12.05 H new ATOM 0 HA3 GLY A 634 5.827 16.118 5.640 1.00 12.05 H new ATOM 804 N ALA A 635 4.026 15.679 3.032 1.00 34.32 N ATOM 805 CA ALA A 635 3.710 16.176 1.704 1.00 73.14 C ATOM 806 C ALA A 635 2.211 16.400 1.542 1.00 14.15 C ATOM 807 O ALA A 635 1.778 17.180 0.706 1.00 23.41 O ATOM 808 CB ALA A 635 4.223 15.212 0.644 1.00 72.32 C ATOM 0 H ALA A 635 3.818 14.690 3.172 1.00 34.32 H new ATOM 0 HA ALA A 635 4.207 17.137 1.575 1.00 73.14 H new ATOM 0 HB1 ALA A 635 3.979 15.597 -0.346 1.00 72.32 H new ATOM 0 HB2 ALA A 635 5.304 15.110 0.738 1.00 72.32 H new ATOM 0 HB3 ALA A 635 3.753 14.238 0.780 1.00 72.32 H new ATOM 814 N CYS A 636 1.430 15.733 2.354 1.00 42.34 N ATOM 815 CA CYS A 636 -0.012 15.836 2.276 1.00 13.35 C ATOM 816 C CYS A 636 -0.604 15.960 3.663 1.00 64.12 C ATOM 817 O CYS A 636 0.033 15.553 4.642 1.00 24.10 O ATOM 818 CB CYS A 636 -0.607 14.618 1.543 1.00 62.54 C ATOM 819 SG CYS A 636 -0.095 14.464 -0.197 1.00 34.33 S ATOM 0 H CYS A 636 1.769 15.107 3.084 1.00 42.34 H new ATOM 0 HA CYS A 636 -0.263 16.731 1.708 1.00 13.35 H new ATOM 0 HB2 CYS A 636 -0.318 13.712 2.076 1.00 62.54 H new ATOM 0 HB3 CYS A 636 -1.694 14.679 1.585 1.00 62.54 H new ATOM 824 N PRO A 637 -1.813 16.550 3.776 1.00 54.32 N ATOM 825 CA PRO A 637 -2.529 16.703 5.055 1.00 65.33 C ATOM 826 C PRO A 637 -2.722 15.356 5.798 1.00 11.22 C ATOM 827 O PRO A 637 -2.796 14.292 5.162 1.00 64.14 O ATOM 828 CB PRO A 637 -3.896 17.270 4.630 1.00 13.14 C ATOM 829 CG PRO A 637 -3.976 17.057 3.160 1.00 64.00 C ATOM 830 CD PRO A 637 -2.578 17.145 2.669 1.00 13.10 C ATOM 0 HA PRO A 637 -1.978 17.336 5.751 1.00 65.33 H new ATOM 0 HB2 PRO A 637 -4.710 16.760 5.145 1.00 13.14 H new ATOM 0 HB3 PRO A 637 -3.976 18.328 4.878 1.00 13.14 H new ATOM 0 HG2 PRO A 637 -4.413 16.086 2.928 1.00 64.00 H new ATOM 0 HG3 PRO A 637 -4.606 17.811 2.688 1.00 64.00 H new ATOM 0 HD2 PRO A 637 -2.439 16.595 1.738 1.00 13.10 H new ATOM 0 HD3 PRO A 637 -2.279 18.176 2.477 1.00 13.10 H new ATOM 838 N PRO A 638 -2.821 15.388 7.152 1.00 41.31 N ATOM 839 CA PRO A 638 -2.970 14.179 7.981 1.00 14.33 C ATOM 840 C PRO A 638 -4.239 13.388 7.682 1.00 12.31 C ATOM 841 O PRO A 638 -4.315 12.221 8.003 1.00 63.54 O ATOM 842 CB PRO A 638 -3.011 14.714 9.416 1.00 21.53 C ATOM 843 CG PRO A 638 -2.385 16.054 9.332 1.00 51.00 C ATOM 844 CD PRO A 638 -2.770 16.597 7.993 1.00 20.13 C ATOM 0 HA PRO A 638 -2.156 13.480 7.790 1.00 14.33 H new ATOM 0 HB2 PRO A 638 -4.034 14.777 9.787 1.00 21.53 H new ATOM 0 HB3 PRO A 638 -2.464 14.063 10.098 1.00 21.53 H new ATOM 0 HG2 PRO A 638 -2.738 16.702 10.134 1.00 51.00 H new ATOM 0 HG3 PRO A 638 -1.302 15.987 9.431 1.00 51.00 H new ATOM 0 HD2 PRO A 638 -3.732 17.108 8.025 1.00 20.13 H new ATOM 0 HD3 PRO A 638 -2.039 17.316 7.623 1.00 20.13 H new ATOM 852 N ASP A 639 -5.227 14.027 7.058 1.00 4.20 N ATOM 853 CA ASP A 639 -6.486 13.345 6.704 1.00 32.23 C ATOM 854 C ASP A 639 -6.348 12.506 5.450 1.00 1.41 C ATOM 855 O ASP A 639 -7.310 11.903 4.993 1.00 32.33 O ATOM 856 CB ASP A 639 -7.667 14.315 6.542 1.00 21.45 C ATOM 857 CG ASP A 639 -8.108 14.958 7.831 1.00 34.40 C ATOM 858 OD1 ASP A 639 -8.813 14.308 8.622 1.00 21.11 O ATOM 859 OD2 ASP A 639 -7.783 16.144 8.067 1.00 41.12 O ATOM 0 H ASP A 639 -5.188 15.009 6.786 1.00 4.20 H new ATOM 0 HA ASP A 639 -6.700 12.688 7.547 1.00 32.23 H new ATOM 0 HB2 ASP A 639 -7.389 15.096 5.834 1.00 21.45 H new ATOM 0 HB3 ASP A 639 -8.510 13.777 6.108 1.00 21.45 H new ATOM 864 N SER A 640 -5.173 12.475 4.884 1.00 63.50 N ATOM 865 CA SER A 640 -4.935 11.668 3.727 1.00 75.11 C ATOM 866 C SER A 640 -4.390 10.307 4.162 1.00 61.45 C ATOM 867 O SER A 640 -3.673 10.220 5.150 1.00 13.43 O ATOM 868 CB SER A 640 -3.969 12.382 2.770 1.00 23.41 C ATOM 869 OG SER A 640 -3.744 11.627 1.598 1.00 33.22 O ATOM 0 H SER A 640 -4.364 13.003 5.210 1.00 63.50 H new ATOM 0 HA SER A 640 -5.870 11.509 3.190 1.00 75.11 H new ATOM 0 HB2 SER A 640 -4.376 13.357 2.503 1.00 23.41 H new ATOM 0 HB3 SER A 640 -3.020 12.560 3.276 1.00 23.41 H new ATOM 0 HG SER A 640 -4.421 11.855 0.927 1.00 33.22 H new ATOM 875 N GLY A 641 -4.761 9.258 3.440 1.00 15.14 N ATOM 876 CA GLY A 641 -4.305 7.909 3.747 1.00 41.44 C ATOM 877 C GLY A 641 -3.246 7.434 2.773 1.00 63.43 C ATOM 878 O GLY A 641 -2.571 6.421 3.007 1.00 63.14 O ATOM 0 H GLY A 641 -5.381 9.317 2.632 1.00 15.14 H new ATOM 0 HA2 GLY A 641 -3.904 7.883 4.760 1.00 41.44 H new ATOM 0 HA3 GLY A 641 -5.153 7.225 3.723 1.00 41.44 H new ATOM 882 N ALA A 642 -3.087 8.174 1.693 1.00 15.13 N ATOM 883 CA ALA A 642 -2.107 7.882 0.671 1.00 14.43 C ATOM 884 C ALA A 642 -1.747 9.171 -0.040 1.00 13.40 C ATOM 885 O ALA A 642 -2.620 9.932 -0.449 1.00 71.34 O ATOM 886 CB ALA A 642 -2.646 6.848 -0.300 1.00 41.11 C ATOM 0 H ALA A 642 -3.644 9.006 1.500 1.00 15.13 H new ATOM 0 HA ALA A 642 -1.209 7.463 1.125 1.00 14.43 H new ATOM 0 HB1 ALA A 642 -1.896 6.640 -1.063 1.00 41.11 H new ATOM 0 HB2 ALA A 642 -2.880 5.930 0.239 1.00 41.11 H new ATOM 0 HB3 ALA A 642 -3.550 7.231 -0.775 1.00 41.11 H new ATOM 892 N CYS A 643 -0.480 9.407 -0.180 1.00 23.34 N ATOM 893 CA CYS A 643 0.021 10.640 -0.728 1.00 35.54 C ATOM 894 C CYS A 643 1.181 10.392 -1.659 1.00 32.31 C ATOM 895 O CYS A 643 2.078 9.614 -1.349 1.00 51.41 O ATOM 896 CB CYS A 643 0.473 11.553 0.411 1.00 73.13 C ATOM 897 SG CYS A 643 1.349 13.060 -0.133 1.00 24.41 S ATOM 0 H CYS A 643 0.249 8.744 0.085 1.00 23.34 H new ATOM 0 HA CYS A 643 -0.780 11.113 -1.296 1.00 35.54 H new ATOM 0 HB2 CYS A 643 -0.400 11.845 0.994 1.00 73.13 H new ATOM 0 HB3 CYS A 643 1.126 10.988 1.076 1.00 73.13 H new ATOM 902 N GLN A 644 1.164 11.031 -2.793 1.00 12.03 N ATOM 903 CA GLN A 644 2.274 10.952 -3.699 1.00 20.01 C ATOM 904 C GLN A 644 2.890 12.301 -3.877 1.00 0.31 C ATOM 905 O GLN A 644 2.191 13.308 -3.892 1.00 72.20 O ATOM 906 CB GLN A 644 1.903 10.424 -5.058 1.00 60.53 C ATOM 907 CG GLN A 644 0.786 11.163 -5.739 1.00 0.53 C ATOM 908 CD GLN A 644 0.621 10.760 -7.187 1.00 52.55 C ATOM 909 OE1 GLN A 644 1.577 10.365 -7.855 1.00 51.33 O ATOM 910 NE2 GLN A 644 -0.568 10.888 -7.691 1.00 22.15 N ATOM 0 H GLN A 644 0.391 11.615 -3.113 1.00 12.03 H new ATOM 0 HA GLN A 644 2.976 10.251 -3.247 1.00 20.01 H new ATOM 0 HB2 GLN A 644 2.785 10.457 -5.698 1.00 60.53 H new ATOM 0 HB3 GLN A 644 1.620 9.376 -4.960 1.00 60.53 H new ATOM 0 HG2 GLN A 644 -0.146 10.977 -5.205 1.00 0.53 H new ATOM 0 HG3 GLN A 644 0.977 12.235 -5.683 1.00 0.53 H new ATOM 0 HE21 GLN A 644 -1.337 11.218 -7.107 1.00 22.15 H new ATOM 0 HE22 GLN A 644 -0.734 10.658 -8.671 1.00 22.15 H new ATOM 918 N VAL A 645 4.170 12.323 -4.016 1.00 12.42 N ATOM 919 CA VAL A 645 4.876 13.531 -4.240 1.00 42.42 C ATOM 920 C VAL A 645 5.920 13.325 -5.316 1.00 5.14 C ATOM 921 O VAL A 645 6.633 12.311 -5.337 1.00 51.11 O ATOM 922 CB VAL A 645 5.481 14.164 -2.927 1.00 41.11 C ATOM 923 CG1 VAL A 645 6.439 13.234 -2.230 1.00 21.01 C ATOM 924 CG2 VAL A 645 6.154 15.508 -3.205 1.00 34.14 C ATOM 0 H VAL A 645 4.760 11.492 -3.977 1.00 12.42 H new ATOM 0 HA VAL A 645 4.154 14.269 -4.590 1.00 42.42 H new ATOM 0 HB VAL A 645 4.638 14.333 -2.257 1.00 41.11 H new ATOM 0 HG11 VAL A 645 6.827 13.717 -1.333 1.00 21.01 H new ATOM 0 HG12 VAL A 645 5.919 12.317 -1.953 1.00 21.01 H new ATOM 0 HG13 VAL A 645 7.265 12.994 -2.899 1.00 21.01 H new ATOM 0 HG21 VAL A 645 6.558 15.912 -2.277 1.00 34.14 H new ATOM 0 HG22 VAL A 645 6.963 15.368 -3.922 1.00 34.14 H new ATOM 0 HG23 VAL A 645 5.422 16.204 -3.615 1.00 34.14 H new ATOM 930 N SER A 646 5.953 14.234 -6.230 1.00 41.44 N ATOM 931 CA SER A 646 6.913 14.247 -7.256 1.00 23.44 C ATOM 932 C SER A 646 8.220 14.674 -6.662 1.00 41.01 C ATOM 933 O SER A 646 8.353 15.795 -6.201 1.00 51.32 O ATOM 934 CB SER A 646 6.494 15.230 -8.355 1.00 44.24 C ATOM 935 OG SER A 646 7.486 15.336 -9.366 1.00 15.31 O ATOM 0 H SER A 646 5.289 15.007 -6.276 1.00 41.44 H new ATOM 0 HA SER A 646 7.004 13.255 -7.699 1.00 23.44 H new ATOM 0 HB2 SER A 646 5.554 14.902 -8.799 1.00 44.24 H new ATOM 0 HB3 SER A 646 6.314 16.212 -7.917 1.00 44.24 H new ATOM 0 HG SER A 646 7.188 15.969 -10.052 1.00 15.31 H new ATOM 941 N ARG A 647 9.166 13.788 -6.642 1.00 42.13 N ATOM 942 CA ARG A 647 10.474 14.117 -6.138 1.00 64.40 C ATOM 943 C ARG A 647 11.158 15.053 -7.130 1.00 3.41 C ATOM 944 O ARG A 647 12.105 15.744 -6.804 1.00 60.33 O ATOM 945 CB ARG A 647 11.293 12.839 -5.885 1.00 34.22 C ATOM 946 CG ARG A 647 11.661 12.055 -7.124 1.00 12.21 C ATOM 947 CD ARG A 647 12.211 10.685 -6.768 1.00 34.54 C ATOM 948 NE ARG A 647 13.422 10.742 -5.958 1.00 54.43 N ATOM 949 CZ ARG A 647 13.816 9.775 -5.112 1.00 55.23 C ATOM 950 NH1 ARG A 647 13.012 8.735 -4.858 1.00 63.24 N ATOM 951 NH2 ARG A 647 14.995 9.864 -4.508 1.00 40.34 N ATOM 0 H ARG A 647 9.062 12.827 -6.968 1.00 42.13 H new ATOM 0 HA ARG A 647 10.391 14.628 -5.179 1.00 64.40 H new ATOM 0 HB2 ARG A 647 12.209 13.112 -5.361 1.00 34.22 H new ATOM 0 HB3 ARG A 647 10.726 12.189 -5.218 1.00 34.22 H new ATOM 0 HG2 ARG A 647 10.783 11.942 -7.760 1.00 12.21 H new ATOM 0 HG3 ARG A 647 12.403 12.608 -7.700 1.00 12.21 H new ATOM 0 HD2 ARG A 647 11.448 10.124 -6.229 1.00 34.54 H new ATOM 0 HD3 ARG A 647 12.422 10.136 -7.686 1.00 34.54 H new ATOM 0 HE ARG A 647 14.010 11.572 -6.039 1.00 54.43 H new ATOM 0 HH11 ARG A 647 12.098 8.675 -5.307 1.00 63.24 H new ATOM 0 HH12 ARG A 647 13.313 8.002 -4.216 1.00 63.24 H new ATOM 0 HH21 ARG A 647 15.600 10.665 -4.686 1.00 40.34 H new ATOM 0 HH22 ARG A 647 15.296 9.131 -3.866 1.00 40.34 H new ATOM 963 N SER A 648 10.637 15.060 -8.357 1.00 12.10 N ATOM 964 CA SER A 648 11.166 15.885 -9.392 1.00 12.34 C ATOM 965 C SER A 648 10.633 17.346 -9.296 1.00 41.54 C ATOM 966 O SER A 648 11.418 18.292 -9.273 1.00 71.21 O ATOM 967 CB SER A 648 10.795 15.268 -10.751 1.00 31.24 C ATOM 968 OG SER A 648 11.411 15.945 -11.828 1.00 61.22 O ATOM 0 H SER A 648 9.840 14.489 -8.640 1.00 12.10 H new ATOM 0 HA SER A 648 12.249 15.933 -9.283 1.00 12.34 H new ATOM 0 HB2 SER A 648 11.091 14.219 -10.766 1.00 31.24 H new ATOM 0 HB3 SER A 648 9.713 15.295 -10.878 1.00 31.24 H new ATOM 0 HG SER A 648 11.151 15.521 -12.672 1.00 61.22 H new ATOM 974 N ASP A 649 9.307 17.527 -9.187 1.00 55.23 N ATOM 975 CA ASP A 649 8.729 18.906 -9.198 1.00 51.23 C ATOM 976 C ASP A 649 8.296 19.366 -7.806 1.00 1.04 C ATOM 977 O ASP A 649 8.058 20.536 -7.581 1.00 51.35 O ATOM 978 CB ASP A 649 7.544 19.011 -10.186 1.00 63.11 C ATOM 979 CG ASP A 649 7.078 20.457 -10.434 1.00 1.40 C ATOM 980 OD1 ASP A 649 6.289 21.001 -9.642 1.00 75.21 O ATOM 981 OD2 ASP A 649 7.510 21.064 -11.435 1.00 33.40 O ATOM 0 H ASP A 649 8.625 16.774 -9.093 1.00 55.23 H new ATOM 0 HA ASP A 649 9.525 19.571 -9.533 1.00 51.23 H new ATOM 0 HB2 ASP A 649 7.833 18.563 -11.137 1.00 63.11 H new ATOM 0 HB3 ASP A 649 6.707 18.429 -9.800 1.00 63.11 H new ATOM 986 N ARG A 650 8.232 18.429 -6.886 1.00 41.20 N ATOM 987 CA ARG A 650 7.743 18.653 -5.495 1.00 40.22 C ATOM 988 C ARG A 650 6.223 18.841 -5.463 1.00 74.33 C ATOM 989 O ARG A 650 5.650 19.304 -4.481 1.00 41.11 O ATOM 990 CB ARG A 650 8.469 19.815 -4.755 1.00 54.35 C ATOM 991 CG ARG A 650 9.927 19.552 -4.332 1.00 3.01 C ATOM 992 CD ARG A 650 10.884 19.313 -5.499 1.00 63.41 C ATOM 993 NE ARG A 650 12.256 19.114 -5.017 1.00 11.13 N ATOM 994 CZ ARG A 650 13.311 18.743 -5.751 1.00 11.25 C ATOM 995 NH1 ARG A 650 13.189 18.509 -7.051 1.00 32.53 N ATOM 996 NH2 ARG A 650 14.495 18.614 -5.172 1.00 40.33 N ATOM 0 H ARG A 650 8.517 17.466 -7.061 1.00 41.20 H new ATOM 0 HA ARG A 650 7.993 17.746 -4.944 1.00 40.22 H new ATOM 0 HB2 ARG A 650 8.453 20.693 -5.400 1.00 54.35 H new ATOM 0 HB3 ARG A 650 7.894 20.064 -3.863 1.00 54.35 H new ATOM 0 HG2 ARG A 650 10.284 20.403 -3.752 1.00 3.01 H new ATOM 0 HG3 ARG A 650 9.951 18.684 -3.673 1.00 3.01 H new ATOM 0 HD2 ARG A 650 10.563 18.439 -6.065 1.00 63.41 H new ATOM 0 HD3 ARG A 650 10.853 20.163 -6.180 1.00 63.41 H new ATOM 0 HE ARG A 650 12.421 19.275 -4.023 1.00 11.13 H new ATOM 0 HH11 ARG A 650 12.281 18.611 -7.505 1.00 32.53 H new ATOM 0 HH12 ARG A 650 14.003 18.227 -7.597 1.00 32.53 H new ATOM 0 HH21 ARG A 650 14.597 18.797 -4.174 1.00 40.33 H new ATOM 0 HH22 ARG A 650 15.305 18.332 -5.724 1.00 40.33 H new ATOM 1008 N LYS A 651 5.584 18.413 -6.530 1.00 43.24 N ATOM 1009 CA LYS A 651 4.130 18.365 -6.630 1.00 31.11 C ATOM 1010 C LYS A 651 3.635 17.210 -5.803 1.00 2.41 C ATOM 1011 O LYS A 651 4.219 16.154 -5.849 1.00 32.01 O ATOM 1012 CB LYS A 651 3.744 18.057 -8.063 1.00 1.14 C ATOM 1013 CG LYS A 651 3.959 19.127 -9.081 1.00 41.41 C ATOM 1014 CD LYS A 651 2.894 20.198 -9.000 1.00 63.33 C ATOM 1015 CE LYS A 651 3.010 21.145 -10.166 1.00 72.20 C ATOM 1016 NZ LYS A 651 1.957 22.181 -10.154 1.00 1.23 N ATOM 0 H LYS A 651 6.061 18.082 -7.368 1.00 43.24 H new ATOM 0 HA LYS A 651 3.711 19.315 -6.299 1.00 31.11 H new ATOM 0 HB2 LYS A 651 4.302 17.175 -8.379 1.00 1.14 H new ATOM 0 HB3 LYS A 651 2.688 17.788 -8.076 1.00 1.14 H new ATOM 0 HG2 LYS A 651 4.940 19.578 -8.934 1.00 41.41 H new ATOM 0 HG3 LYS A 651 3.957 18.686 -10.078 1.00 41.41 H new ATOM 0 HD2 LYS A 651 1.906 19.737 -8.995 1.00 63.33 H new ATOM 0 HD3 LYS A 651 2.994 20.749 -8.065 1.00 63.33 H new ATOM 0 HE2 LYS A 651 3.989 21.625 -10.146 1.00 72.20 H new ATOM 0 HE3 LYS A 651 2.951 20.581 -11.097 1.00 72.20 H new ATOM 0 HZ1 LYS A 651 2.078 22.808 -10.975 1.00 1.23 H new ATOM 0 HZ2 LYS A 651 1.023 21.727 -10.200 1.00 1.23 H new ATOM 0 HZ3 LYS A 651 2.028 22.738 -9.279 1.00 1.23 H new ATOM 1030 N SER A 652 2.594 17.386 -5.079 1.00 35.32 N ATOM 1031 CA SER A 652 2.040 16.292 -4.338 1.00 75.12 C ATOM 1032 C SER A 652 0.553 16.226 -4.524 1.00 72.44 C ATOM 1033 O SER A 652 -0.114 17.263 -4.664 1.00 3.34 O ATOM 1034 CB SER A 652 2.430 16.352 -2.879 1.00 41.22 C ATOM 1035 OG SER A 652 2.084 17.613 -2.316 1.00 34.24 O ATOM 0 H SER A 652 2.101 18.273 -4.976 1.00 35.32 H new ATOM 0 HA SER A 652 2.462 15.368 -4.733 1.00 75.12 H new ATOM 0 HB2 SER A 652 1.929 15.554 -2.331 1.00 41.22 H new ATOM 0 HB3 SER A 652 3.502 16.185 -2.777 1.00 41.22 H new ATOM 0 HG SER A 652 1.974 17.519 -1.347 1.00 34.24 H new ATOM 1041 N TRP A 653 0.042 15.028 -4.545 1.00 41.43 N ATOM 1042 CA TRP A 653 -1.349 14.793 -4.793 1.00 11.31 C ATOM 1043 C TRP A 653 -1.902 13.853 -3.750 1.00 72.35 C ATOM 1044 O TRP A 653 -1.158 13.048 -3.163 1.00 62.24 O ATOM 1045 CB TRP A 653 -1.548 14.198 -6.198 1.00 31.50 C ATOM 1046 CG TRP A 653 -1.015 15.071 -7.305 1.00 71.43 C ATOM 1047 CD1 TRP A 653 -1.647 16.115 -7.911 1.00 34.51 C ATOM 1048 CD2 TRP A 653 0.270 14.962 -7.934 1.00 11.40 C ATOM 1049 NE1 TRP A 653 -0.823 16.664 -8.875 1.00 52.14 N ATOM 1050 CE2 TRP A 653 0.350 15.968 -8.905 1.00 54.34 C ATOM 1051 CE3 TRP A 653 1.357 14.112 -7.758 1.00 31.52 C ATOM 1052 CZ2 TRP A 653 1.474 16.139 -9.697 1.00 41.15 C ATOM 1053 CZ3 TRP A 653 2.467 14.273 -8.532 1.00 3.21 C ATOM 1054 CH2 TRP A 653 2.524 15.284 -9.499 1.00 73.42 C ATOM 0 H TRP A 653 0.586 14.180 -4.389 1.00 41.43 H new ATOM 0 HA TRP A 653 -1.882 15.742 -4.738 1.00 11.31 H new ATOM 0 HB2 TRP A 653 -1.057 13.226 -6.245 1.00 31.50 H new ATOM 0 HB3 TRP A 653 -2.612 14.026 -6.363 1.00 31.50 H new ATOM 0 HD1 TRP A 653 -2.642 16.461 -7.674 1.00 34.51 H new ATOM 0 HE1 TRP A 653 -1.054 17.461 -9.468 1.00 52.14 H new ATOM 0 HE3 TRP A 653 1.322 13.330 -7.014 1.00 31.52 H new ATOM 0 HZ2 TRP A 653 1.520 16.918 -10.443 1.00 41.15 H new ATOM 0 HZ3 TRP A 653 3.312 13.614 -8.398 1.00 3.21 H new ATOM 0 HH2 TRP A 653 3.414 15.391 -10.101 1.00 73.42 H new ATOM 1065 N ASN A 654 -3.188 13.916 -3.556 1.00 22.55 N ATOM 1066 CA ASN A 654 -3.859 13.125 -2.552 1.00 75.31 C ATOM 1067 C ASN A 654 -4.375 11.885 -3.237 1.00 52.04 C ATOM 1068 O ASN A 654 -5.054 11.982 -4.261 1.00 23.30 O ATOM 1069 CB ASN A 654 -5.055 13.913 -2.022 1.00 44.44 C ATOM 1070 CG ASN A 654 -5.675 13.360 -0.753 1.00 23.11 C ATOM 1071 OD1 ASN A 654 -5.627 12.169 -0.466 1.00 21.14 O ATOM 1072 ND2 ASN A 654 -6.283 14.234 0.006 1.00 5.23 N ATOM 0 H ASN A 654 -3.810 14.521 -4.092 1.00 22.55 H new ATOM 0 HA ASN A 654 -3.184 12.878 -1.732 1.00 75.31 H new ATOM 0 HB2 ASN A 654 -4.741 14.940 -1.837 1.00 44.44 H new ATOM 0 HB3 ASN A 654 -5.820 13.948 -2.797 1.00 44.44 H new ATOM 0 HD21 ASN A 654 -6.737 13.932 0.868 1.00 5.23 H new ATOM 0 HD22 ASN A 654 -6.303 15.217 -0.264 1.00 5.23 H new ATOM 1078 N LEU A 655 -4.049 10.741 -2.702 1.00 4.24 N ATOM 1079 CA LEU A 655 -4.436 9.478 -3.299 1.00 44.04 C ATOM 1080 C LEU A 655 -5.515 8.802 -2.481 1.00 50.10 C ATOM 1081 O LEU A 655 -5.726 7.578 -2.571 1.00 52.12 O ATOM 1082 CB LEU A 655 -3.223 8.579 -3.428 1.00 53.22 C ATOM 1083 CG LEU A 655 -2.098 9.112 -4.288 1.00 2.54 C ATOM 1084 CD1 LEU A 655 -0.961 8.118 -4.355 1.00 42.25 C ATOM 1085 CD2 LEU A 655 -2.607 9.434 -5.670 1.00 73.42 C ATOM 0 H LEU A 655 -3.509 10.650 -1.842 1.00 4.24 H new ATOM 0 HA LEU A 655 -4.842 9.671 -4.292 1.00 44.04 H new ATOM 0 HB2 LEU A 655 -2.831 8.384 -2.430 1.00 53.22 H new ATOM 0 HB3 LEU A 655 -3.546 7.621 -3.837 1.00 53.22 H new ATOM 0 HG LEU A 655 -1.719 10.029 -3.836 1.00 2.54 H new ATOM 0 HD11 LEU A 655 -0.162 8.520 -4.978 1.00 42.25 H new ATOM 0 HD12 LEU A 655 -0.580 7.933 -3.351 1.00 42.25 H new ATOM 0 HD13 LEU A 655 -1.320 7.183 -4.785 1.00 42.25 H new ATOM 0 HD21 LEU A 655 -1.788 9.817 -6.279 1.00 73.42 H new ATOM 0 HD22 LEU A 655 -3.010 8.531 -6.129 1.00 73.42 H new ATOM 0 HD23 LEU A 655 -3.392 10.187 -5.602 1.00 73.42 H new ATOM 1093 N GLY A 656 -6.189 9.586 -1.698 1.00 75.33 N ATOM 1094 CA GLY A 656 -7.273 9.093 -0.936 1.00 0.22 C ATOM 1095 C GLY A 656 -7.200 9.535 0.481 1.00 41.01 C ATOM 1096 O GLY A 656 -6.134 9.499 1.094 1.00 21.12 O ATOM 0 H GLY A 656 -5.997 10.580 -1.575 1.00 75.33 H new ATOM 0 HA2 GLY A 656 -8.210 9.434 -1.375 1.00 0.22 H new ATOM 0 HA3 GLY A 656 -7.280 8.004 -0.977 1.00 0.22 H new ATOM 1100 N ARG A 657 -8.318 9.979 1.013 1.00 15.02 N ATOM 1101 CA ARG A 657 -8.379 10.362 2.386 1.00 33.22 C ATOM 1102 C ARG A 657 -8.394 9.131 3.274 1.00 55.21 C ATOM 1103 O ARG A 657 -8.571 8.006 2.770 1.00 13.52 O ATOM 1104 CB ARG A 657 -9.576 11.270 2.663 1.00 34.23 C ATOM 1105 CG ARG A 657 -9.467 12.649 2.028 1.00 3.22 C ATOM 1106 CD ARG A 657 -10.651 13.529 2.392 1.00 31.30 C ATOM 1107 NE ARG A 657 -11.915 13.054 1.814 1.00 74.54 N ATOM 1108 CZ ARG A 657 -13.085 13.014 2.461 1.00 52.20 C ATOM 1109 NH1 ARG A 657 -13.169 13.366 3.740 1.00 41.25 N ATOM 1110 NH2 ARG A 657 -14.169 12.623 1.821 1.00 0.30 N ATOM 0 H ARG A 657 -9.196 10.080 0.503 1.00 15.02 H new ATOM 0 HA ARG A 657 -7.485 10.940 2.620 1.00 33.22 H new ATOM 0 HB2 ARG A 657 -10.480 10.783 2.298 1.00 34.23 H new ATOM 0 HB3 ARG A 657 -9.690 11.386 3.741 1.00 34.23 H new ATOM 0 HG2 ARG A 657 -8.544 13.128 2.354 1.00 3.22 H new ATOM 0 HG3 ARG A 657 -9.408 12.547 0.944 1.00 3.22 H new ATOM 0 HD2 ARG A 657 -10.746 13.571 3.477 1.00 31.30 H new ATOM 0 HD3 ARG A 657 -10.460 14.546 2.050 1.00 31.30 H new ATOM 0 HE ARG A 657 -11.899 12.730 0.847 1.00 74.54 H new ATOM 0 HH11 ARG A 657 -12.335 13.672 4.241 1.00 41.25 H new ATOM 0 HH12 ARG A 657 -14.068 13.331 4.221 1.00 41.25 H new ATOM 0 HH21 ARG A 657 -14.112 12.353 0.839 1.00 0.30 H new ATOM 0 HH22 ARG A 657 -15.065 12.590 2.308 1.00 0.30 H new ATOM 1122 N SER A 658 -8.227 9.344 4.561 1.00 23.24 N ATOM 1123 CA SER A 658 -8.159 8.277 5.539 1.00 44.42 C ATOM 1124 C SER A 658 -9.394 7.385 5.499 1.00 33.33 C ATOM 1125 O SER A 658 -10.540 7.868 5.416 1.00 34.41 O ATOM 1126 CB SER A 658 -7.937 8.870 6.926 1.00 44.14 C ATOM 1127 OG SER A 658 -8.877 9.897 7.199 1.00 34.50 O ATOM 0 H SER A 658 -8.133 10.276 4.965 1.00 23.24 H new ATOM 0 HA SER A 658 -7.313 7.635 5.291 1.00 44.42 H new ATOM 0 HB2 SER A 658 -8.022 8.086 7.678 1.00 44.14 H new ATOM 0 HB3 SER A 658 -6.926 9.270 6.996 1.00 44.14 H new ATOM 0 HG SER A 658 -8.714 10.260 8.095 1.00 34.50 H new ATOM 1133 N ASN A 659 -9.157 6.092 5.537 1.00 25.41 N ATOM 1134 CA ASN A 659 -10.201 5.112 5.381 1.00 41.14 C ATOM 1135 C ASN A 659 -9.643 3.780 5.863 1.00 10.33 C ATOM 1136 O ASN A 659 -8.446 3.700 6.146 1.00 22.12 O ATOM 1137 CB ASN A 659 -10.529 5.034 3.895 1.00 55.32 C ATOM 1138 CG ASN A 659 -11.784 4.290 3.572 1.00 34.41 C ATOM 1139 OD1 ASN A 659 -12.732 4.270 4.343 1.00 51.02 O ATOM 1140 ND2 ASN A 659 -11.795 3.676 2.436 1.00 52.53 N ATOM 0 H ASN A 659 -8.229 5.692 5.678 1.00 25.41 H new ATOM 0 HA ASN A 659 -11.099 5.364 5.945 1.00 41.14 H new ATOM 0 HB2 ASN A 659 -10.611 6.047 3.501 1.00 55.32 H new ATOM 0 HB3 ASN A 659 -9.697 4.557 3.377 1.00 55.32 H new ATOM 0 HD21 ASN A 659 -12.619 3.146 2.150 1.00 52.53 H new ATOM 0 HD22 ASN A 659 -10.980 3.721 1.824 1.00 52.53 H new ATOM 1146 N ALA A 660 -10.457 2.754 5.981 1.00 15.42 N ATOM 1147 CA ALA A 660 -9.942 1.473 6.437 1.00 53.12 C ATOM 1148 C ALA A 660 -10.642 0.325 5.738 1.00 74.03 C ATOM 1149 O ALA A 660 -10.529 -0.821 6.152 1.00 51.05 O ATOM 1150 CB ALA A 660 -10.104 1.360 7.948 1.00 35.55 C ATOM 0 H ALA A 660 -11.456 2.774 5.774 1.00 15.42 H new ATOM 0 HA ALA A 660 -8.882 1.416 6.188 1.00 53.12 H new ATOM 0 HB1 ALA A 660 -9.717 0.398 8.285 1.00 35.55 H new ATOM 0 HB2 ALA A 660 -9.552 2.164 8.434 1.00 35.55 H new ATOM 0 HB3 ALA A 660 -11.160 1.437 8.207 1.00 35.55 H new ATOM 1156 N LYS A 661 -11.313 0.634 4.645 1.00 21.13 N ATOM 1157 CA LYS A 661 -12.122 -0.345 3.935 1.00 52.42 C ATOM 1158 C LYS A 661 -11.289 -1.441 3.272 1.00 41.41 C ATOM 1159 O LYS A 661 -10.716 -1.235 2.191 1.00 74.32 O ATOM 1160 CB LYS A 661 -12.981 0.329 2.864 1.00 61.31 C ATOM 1161 CG LYS A 661 -13.916 1.400 3.359 1.00 65.02 C ATOM 1162 CD LYS A 661 -14.909 0.872 4.347 1.00 44.12 C ATOM 1163 CE LYS A 661 -15.946 1.918 4.627 1.00 33.24 C ATOM 1164 NZ LYS A 661 -17.059 1.414 5.446 1.00 45.40 N ATOM 0 H LYS A 661 -11.315 1.563 4.224 1.00 21.13 H new ATOM 0 HA LYS A 661 -12.754 -0.809 4.692 1.00 52.42 H new ATOM 0 HB2 LYS A 661 -12.320 0.766 2.116 1.00 61.31 H new ATOM 0 HB3 LYS A 661 -13.570 -0.438 2.360 1.00 61.31 H new ATOM 0 HG2 LYS A 661 -13.337 2.200 3.820 1.00 65.02 H new ATOM 0 HG3 LYS A 661 -14.446 1.837 2.512 1.00 65.02 H new ATOM 0 HD2 LYS A 661 -15.383 -0.028 3.956 1.00 44.12 H new ATOM 0 HD3 LYS A 661 -14.403 0.590 5.271 1.00 44.12 H new ATOM 0 HE2 LYS A 661 -15.478 2.760 5.137 1.00 33.24 H new ATOM 0 HE3 LYS A 661 -16.338 2.296 3.683 1.00 33.24 H new ATOM 0 HZ1 LYS A 661 -17.849 2.090 5.412 1.00 45.40 H new ATOM 0 HZ2 LYS A 661 -17.374 0.495 5.076 1.00 45.40 H new ATOM 0 HZ3 LYS A 661 -16.742 1.301 6.430 1.00 45.40 H new ATOM 1178 N LEU A 662 -11.193 -2.576 3.925 1.00 72.21 N ATOM 1179 CA LEU A 662 -10.595 -3.730 3.308 1.00 35.01 C ATOM 1180 C LEU A 662 -11.651 -4.510 2.605 1.00 1.43 C ATOM 1181 O LEU A 662 -12.735 -4.723 3.134 1.00 62.11 O ATOM 1182 CB LEU A 662 -9.876 -4.655 4.292 1.00 23.14 C ATOM 1183 CG LEU A 662 -8.584 -4.164 4.921 1.00 73.33 C ATOM 1184 CD1 LEU A 662 -8.039 -5.241 5.818 1.00 33.11 C ATOM 1185 CD2 LEU A 662 -7.555 -3.832 3.856 1.00 70.04 C ATOM 0 H LEU A 662 -11.521 -2.722 4.880 1.00 72.21 H new ATOM 0 HA LEU A 662 -9.841 -3.354 2.617 1.00 35.01 H new ATOM 0 HB2 LEU A 662 -10.571 -4.890 5.098 1.00 23.14 H new ATOM 0 HB3 LEU A 662 -9.661 -5.590 3.775 1.00 23.14 H new ATOM 0 HG LEU A 662 -8.793 -3.260 5.493 1.00 73.33 H new ATOM 0 HD11 LEU A 662 -7.111 -4.899 6.275 1.00 33.11 H new ATOM 0 HD12 LEU A 662 -8.766 -5.467 6.598 1.00 33.11 H new ATOM 0 HD13 LEU A 662 -7.845 -6.139 5.232 1.00 33.11 H new ATOM 0 HD21 LEU A 662 -6.639 -3.483 4.332 1.00 70.04 H new ATOM 0 HD22 LEU A 662 -7.341 -4.724 3.267 1.00 70.04 H new ATOM 0 HD23 LEU A 662 -7.946 -3.051 3.204 1.00 70.04 H new ATOM 1193 N SER A 663 -11.357 -4.910 1.436 1.00 65.42 N ATOM 1194 CA SER A 663 -12.231 -5.705 0.664 1.00 22.23 C ATOM 1195 C SER A 663 -11.530 -6.990 0.340 1.00 51.22 C ATOM 1196 O SER A 663 -10.331 -7.000 0.111 1.00 5.11 O ATOM 1197 CB SER A 663 -12.601 -4.976 -0.624 1.00 62.41 C ATOM 1198 OG SER A 663 -13.201 -3.723 -0.341 1.00 14.52 O ATOM 0 H SER A 663 -10.476 -4.690 0.971 1.00 65.42 H new ATOM 0 HA SER A 663 -13.147 -5.905 1.221 1.00 22.23 H new ATOM 0 HB2 SER A 663 -11.709 -4.827 -1.232 1.00 62.41 H new ATOM 0 HB3 SER A 663 -13.287 -5.588 -1.209 1.00 62.41 H new ATOM 0 HG SER A 663 -13.429 -3.272 -1.181 1.00 14.52 H new ATOM 1204 N TYR A 664 -12.236 -8.051 0.337 1.00 21.31 N ATOM 1205 CA TYR A 664 -11.657 -9.285 -0.016 1.00 34.13 C ATOM 1206 C TYR A 664 -12.301 -9.673 -1.309 1.00 53.43 C ATOM 1207 O TYR A 664 -13.524 -9.822 -1.389 1.00 31.14 O ATOM 1208 CB TYR A 664 -11.953 -10.339 1.062 1.00 65.22 C ATOM 1209 CG TYR A 664 -11.066 -11.575 1.029 1.00 43.34 C ATOM 1210 CD1 TYR A 664 -10.867 -12.313 -0.133 1.00 22.34 C ATOM 1211 CD2 TYR A 664 -10.420 -11.988 2.178 1.00 12.33 C ATOM 1212 CE1 TYR A 664 -10.052 -13.428 -0.143 1.00 12.03 C ATOM 1213 CE2 TYR A 664 -9.606 -13.099 2.177 1.00 41.33 C ATOM 1214 CZ TYR A 664 -9.424 -13.817 1.015 1.00 74.50 C ATOM 1215 OH TYR A 664 -8.600 -14.933 1.017 1.00 1.43 O ATOM 0 H TYR A 664 -13.226 -8.090 0.578 1.00 21.31 H new ATOM 0 HA TYR A 664 -10.573 -9.213 -0.108 1.00 34.13 H new ATOM 0 HB2 TYR A 664 -11.856 -9.870 2.041 1.00 65.22 H new ATOM 0 HB3 TYR A 664 -12.991 -10.655 0.961 1.00 65.22 H new ATOM 0 HD1 TYR A 664 -11.359 -12.008 -1.045 1.00 22.34 H new ATOM 0 HD2 TYR A 664 -10.556 -11.430 3.093 1.00 12.33 H new ATOM 0 HE1 TYR A 664 -9.910 -13.990 -1.054 1.00 12.03 H new ATOM 0 HE2 TYR A 664 -9.111 -13.407 3.086 1.00 41.33 H new ATOM 0 HH TYR A 664 -8.234 -15.068 1.916 1.00 1.43 H new ATOM 1225 N TYR A 665 -11.501 -9.801 -2.292 1.00 50.31 N ATOM 1226 CA TYR A 665 -11.913 -10.139 -3.599 1.00 65.31 C ATOM 1227 C TYR A 665 -11.530 -11.568 -3.788 1.00 35.23 C ATOM 1228 O TYR A 665 -10.516 -11.979 -3.241 1.00 72.52 O ATOM 1229 CB TYR A 665 -11.157 -9.259 -4.589 1.00 70.43 C ATOM 1230 CG TYR A 665 -11.662 -9.381 -5.981 1.00 42.23 C ATOM 1231 CD1 TYR A 665 -12.835 -8.766 -6.331 1.00 63.04 C ATOM 1232 CD2 TYR A 665 -10.981 -10.103 -6.943 1.00 34.45 C ATOM 1233 CE1 TYR A 665 -13.332 -8.853 -7.590 1.00 54.41 C ATOM 1234 CE2 TYR A 665 -11.468 -10.204 -8.221 1.00 74.42 C ATOM 1235 CZ TYR A 665 -12.650 -9.575 -8.543 1.00 21.11 C ATOM 1236 OH TYR A 665 -13.152 -9.666 -9.825 1.00 33.14 O ATOM 0 H TYR A 665 -10.493 -9.667 -2.207 1.00 50.31 H new ATOM 0 HA TYR A 665 -12.982 -9.994 -3.753 1.00 65.31 H new ATOM 0 HB2 TYR A 665 -11.231 -8.219 -4.272 1.00 70.43 H new ATOM 0 HB3 TYR A 665 -10.100 -9.524 -4.568 1.00 70.43 H new ATOM 0 HD1 TYR A 665 -13.376 -8.199 -5.588 1.00 63.04 H new ATOM 0 HD2 TYR A 665 -10.054 -10.594 -6.685 1.00 34.45 H new ATOM 0 HE1 TYR A 665 -14.258 -8.358 -7.843 1.00 54.41 H new ATOM 0 HE2 TYR A 665 -10.930 -10.771 -8.967 1.00 74.42 H new ATOM 0 HH TYR A 665 -12.550 -10.210 -10.374 1.00 33.14 H new ATOM 1246 N ASP A 666 -12.350 -12.351 -4.462 1.00 41.33 N ATOM 1247 CA ASP A 666 -11.993 -13.751 -4.693 1.00 70.52 C ATOM 1248 C ASP A 666 -10.590 -13.813 -5.286 1.00 12.50 C ATOM 1249 O ASP A 666 -10.336 -13.290 -6.377 1.00 0.33 O ATOM 1250 CB ASP A 666 -13.002 -14.403 -5.651 1.00 50.55 C ATOM 1251 CG ASP A 666 -12.705 -15.861 -5.949 1.00 0.01 C ATOM 1252 OD1 ASP A 666 -13.070 -16.732 -5.132 1.00 42.14 O ATOM 1253 OD2 ASP A 666 -12.130 -16.166 -7.004 1.00 4.12 O ATOM 0 H ASP A 666 -13.246 -12.060 -4.853 1.00 41.33 H new ATOM 0 HA ASP A 666 -12.015 -14.295 -3.748 1.00 70.52 H new ATOM 0 HB2 ASP A 666 -14.001 -14.325 -5.221 1.00 50.55 H new ATOM 0 HB3 ASP A 666 -13.014 -13.845 -6.587 1.00 50.55 H new ATOM 1258 N GLY A 667 -9.687 -14.439 -4.558 1.00 11.52 N ATOM 1259 CA GLY A 667 -8.320 -14.503 -4.984 1.00 14.24 C ATOM 1260 C GLY A 667 -7.365 -13.624 -4.144 1.00 43.34 C ATOM 1261 O GLY A 667 -6.327 -14.121 -3.666 1.00 51.44 O ATOM 0 H GLY A 667 -9.883 -14.906 -3.673 1.00 11.52 H new ATOM 0 HA2 GLY A 667 -7.982 -15.538 -4.937 1.00 14.24 H new ATOM 0 HA3 GLY A 667 -8.259 -14.195 -6.028 1.00 14.24 H new ATOM 1265 N MET A 668 -7.698 -12.324 -3.953 1.00 52.31 N ATOM 1266 CA MET A 668 -6.782 -11.384 -3.244 1.00 34.13 C ATOM 1267 C MET A 668 -7.553 -10.375 -2.395 1.00 62.44 C ATOM 1268 O MET A 668 -8.717 -10.107 -2.628 1.00 11.02 O ATOM 1269 CB MET A 668 -5.895 -10.544 -4.210 1.00 52.15 C ATOM 1270 CG MET A 668 -5.061 -11.306 -5.238 1.00 51.33 C ATOM 1271 SD MET A 668 -6.038 -11.989 -6.602 1.00 54.44 S ATOM 1272 CE MET A 668 -4.761 -12.805 -7.549 1.00 73.03 C ATOM 0 H MET A 668 -8.572 -11.905 -4.270 1.00 52.31 H new ATOM 0 HA MET A 668 -6.157 -12.032 -2.630 1.00 34.13 H new ATOM 0 HB2 MET A 668 -6.544 -9.853 -4.748 1.00 52.15 H new ATOM 0 HB3 MET A 668 -5.217 -9.941 -3.606 1.00 52.15 H new ATOM 0 HG2 MET A 668 -4.302 -10.638 -5.645 1.00 51.33 H new ATOM 0 HG3 MET A 668 -4.535 -12.118 -4.737 1.00 51.33 H new ATOM 0 HE1 MET A 668 -5.204 -13.277 -8.426 1.00 73.03 H new ATOM 0 HE2 MET A 668 -4.019 -12.072 -7.867 1.00 73.03 H new ATOM 0 HE3 MET A 668 -4.280 -13.564 -6.933 1.00 73.03 H new ATOM 1282 N ILE A 669 -6.874 -9.788 -1.444 1.00 63.11 N ATOM 1283 CA ILE A 669 -7.461 -8.757 -0.609 1.00 62.23 C ATOM 1284 C ILE A 669 -7.127 -7.397 -1.241 1.00 2.53 C ATOM 1285 O ILE A 669 -6.034 -7.212 -1.749 1.00 43.53 O ATOM 1286 CB ILE A 669 -6.954 -8.803 0.898 1.00 33.33 C ATOM 1287 CG1 ILE A 669 -7.310 -10.136 1.615 1.00 52.24 C ATOM 1288 CG2 ILE A 669 -7.500 -7.633 1.709 1.00 4.12 C ATOM 1289 CD1 ILE A 669 -6.577 -11.369 1.118 1.00 44.02 C ATOM 0 H ILE A 669 -5.902 -10.005 -1.222 1.00 63.11 H new ATOM 0 HA ILE A 669 -8.537 -8.924 -0.564 1.00 62.23 H new ATOM 0 HB ILE A 669 -5.868 -8.730 0.843 1.00 33.33 H new ATOM 0 HG12 ILE A 669 -7.107 -10.020 2.680 1.00 52.24 H new ATOM 0 HG13 ILE A 669 -8.382 -10.307 1.512 1.00 52.24 H new ATOM 0 HG21 ILE A 669 -7.133 -7.697 2.733 1.00 4.12 H new ATOM 0 HG22 ILE A 669 -7.169 -6.695 1.263 1.00 4.12 H new ATOM 0 HG23 ILE A 669 -8.589 -7.669 1.711 1.00 4.12 H new ATOM 0 HD11 ILE A 669 -6.902 -12.240 1.687 1.00 44.02 H new ATOM 0 HD12 ILE A 669 -6.798 -11.523 0.062 1.00 44.02 H new ATOM 0 HD13 ILE A 669 -5.504 -11.231 1.247 1.00 44.02 H new ATOM 1296 N GLN A 670 -8.069 -6.491 -1.254 1.00 13.32 N ATOM 1297 CA GLN A 670 -7.881 -5.171 -1.834 1.00 41.41 C ATOM 1298 C GLN A 670 -8.370 -4.085 -0.886 1.00 34.54 C ATOM 1299 O GLN A 670 -9.354 -4.263 -0.198 1.00 25.24 O ATOM 1300 CB GLN A 670 -8.589 -5.062 -3.196 1.00 13.14 C ATOM 1301 CG GLN A 670 -7.919 -5.852 -4.324 1.00 21.44 C ATOM 1302 CD GLN A 670 -8.714 -5.852 -5.616 1.00 24.30 C ATOM 1303 OE1 GLN A 670 -9.494 -4.819 -5.843 1.00 44.23 O flip ATOM 1304 NE2 GLN A 670 -8.637 -6.788 -6.400 1.00 22.52 N flip ATOM 0 H GLN A 670 -8.998 -6.641 -0.861 1.00 13.32 H new ATOM 0 HA GLN A 670 -6.813 -5.026 -1.994 1.00 41.41 H new ATOM 0 HB2 GLN A 670 -9.616 -5.410 -3.086 1.00 13.14 H new ATOM 0 HB3 GLN A 670 -8.637 -4.012 -3.484 1.00 13.14 H new ATOM 0 HG2 GLN A 670 -6.931 -5.432 -4.514 1.00 21.44 H new ATOM 0 HG3 GLN A 670 -7.770 -6.881 -3.998 1.00 21.44 H new ATOM 0 HE21 GLN A 670 -8.022 -7.576 -6.195 1.00 22.52 H new ATOM 0 HE22 GLN A 670 -9.188 -6.781 -7.259 1.00 22.52 H new ATOM 1312 N LEU A 671 -7.673 -2.982 -0.841 1.00 21.11 N ATOM 1313 CA LEU A 671 -8.060 -1.872 0.014 1.00 4.04 C ATOM 1314 C LEU A 671 -8.311 -0.674 -0.883 1.00 25.32 C ATOM 1315 O LEU A 671 -7.451 -0.311 -1.693 1.00 33.21 O ATOM 1316 CB LEU A 671 -6.923 -1.570 1.041 1.00 54.04 C ATOM 1317 CG LEU A 671 -7.235 -0.645 2.267 1.00 61.35 C ATOM 1318 CD1 LEU A 671 -6.016 -0.526 3.156 1.00 64.31 C ATOM 1319 CD2 LEU A 671 -7.704 0.738 1.866 1.00 12.15 C ATOM 0 H LEU A 671 -6.827 -2.819 -1.387 1.00 21.11 H new ATOM 0 HA LEU A 671 -8.960 -2.110 0.581 1.00 4.04 H new ATOM 0 HB2 LEU A 671 -6.569 -2.524 1.430 1.00 54.04 H new ATOM 0 HB3 LEU A 671 -6.094 -1.122 0.493 1.00 54.04 H new ATOM 0 HG LEU A 671 -8.054 -1.118 2.809 1.00 61.35 H new ATOM 0 HD11 LEU A 671 -6.246 0.119 4.004 1.00 64.31 H new ATOM 0 HD12 LEU A 671 -5.732 -1.514 3.518 1.00 64.31 H new ATOM 0 HD13 LEU A 671 -5.191 -0.097 2.587 1.00 64.31 H new ATOM 0 HD21 LEU A 671 -7.903 1.328 2.760 1.00 12.15 H new ATOM 0 HD22 LEU A 671 -6.931 1.227 1.273 1.00 12.15 H new ATOM 0 HD23 LEU A 671 -8.616 0.656 1.275 1.00 12.15 H new ATOM 1327 N THR A 672 -9.472 -0.084 -0.748 1.00 44.42 N ATOM 1328 CA THR A 672 -9.854 1.064 -1.529 1.00 70.40 C ATOM 1329 C THR A 672 -9.862 2.327 -0.647 1.00 34.22 C ATOM 1330 O THR A 672 -10.469 2.337 0.421 1.00 75.32 O ATOM 1331 CB THR A 672 -11.276 0.854 -2.115 1.00 21.23 C ATOM 1332 OG1 THR A 672 -11.312 -0.349 -2.904 1.00 65.35 O ATOM 1333 CG2 THR A 672 -11.694 2.039 -2.977 1.00 21.54 C ATOM 0 H THR A 672 -10.185 -0.391 -0.086 1.00 44.42 H new ATOM 0 HA THR A 672 -9.134 1.188 -2.338 1.00 70.40 H new ATOM 0 HB THR A 672 -11.974 0.767 -1.282 1.00 21.23 H new ATOM 0 HG1 THR A 672 -12.213 -0.474 -3.268 1.00 65.35 H new ATOM 0 HG21 THR A 672 -12.694 1.865 -3.375 1.00 21.54 H new ATOM 0 HG22 THR A 672 -11.697 2.946 -2.372 1.00 21.54 H new ATOM 0 HG23 THR A 672 -10.991 2.155 -3.802 1.00 21.54 H new ATOM 1339 N TYR A 673 -9.179 3.372 -1.076 1.00 25.14 N ATOM 1340 CA TYR A 673 -9.212 4.632 -0.350 1.00 12.35 C ATOM 1341 C TYR A 673 -10.231 5.614 -0.887 1.00 40.13 C ATOM 1342 O TYR A 673 -10.838 5.394 -1.936 1.00 73.30 O ATOM 1343 CB TYR A 673 -7.835 5.267 -0.155 1.00 30.00 C ATOM 1344 CG TYR A 673 -7.105 4.688 1.021 1.00 74.32 C ATOM 1345 CD1 TYR A 673 -7.515 5.021 2.290 1.00 34.10 C ATOM 1346 CD2 TYR A 673 -6.036 3.811 0.884 1.00 22.52 C ATOM 1347 CE1 TYR A 673 -6.914 4.511 3.398 1.00 2.42 C ATOM 1348 CE2 TYR A 673 -5.409 3.291 2.012 1.00 42.51 C ATOM 1349 CZ TYR A 673 -5.871 3.653 3.271 1.00 63.11 C ATOM 1350 OH TYR A 673 -5.300 3.140 4.398 1.00 51.42 O ATOM 0 H TYR A 673 -8.599 3.376 -1.915 1.00 25.14 H new ATOM 0 HA TYR A 673 -9.556 4.360 0.648 1.00 12.35 H new ATOM 0 HB2 TYR A 673 -7.240 5.123 -1.057 1.00 30.00 H new ATOM 0 HB3 TYR A 673 -7.949 6.342 -0.016 1.00 30.00 H new ATOM 0 HD1 TYR A 673 -8.339 5.708 2.411 1.00 34.10 H new ATOM 0 HD2 TYR A 673 -5.691 3.532 -0.101 1.00 22.52 H new ATOM 0 HE1 TYR A 673 -7.267 4.789 4.380 1.00 2.42 H new ATOM 0 HE2 TYR A 673 -4.573 2.614 1.910 1.00 42.51 H new ATOM 0 HH TYR A 673 -4.339 3.018 4.251 1.00 51.42 H new ATOM 1360 N ARG A 674 -10.420 6.692 -0.138 1.00 62.30 N ATOM 1361 CA ARG A 674 -11.428 7.710 -0.427 1.00 72.10 C ATOM 1362 C ARG A 674 -11.069 8.614 -1.589 1.00 25.24 C ATOM 1363 O ARG A 674 -10.013 8.494 -2.180 1.00 72.41 O ATOM 1364 CB ARG A 674 -11.738 8.546 0.809 1.00 33.21 C ATOM 1365 CG ARG A 674 -12.356 7.770 1.946 1.00 33.24 C ATOM 1366 CD ARG A 674 -13.663 7.110 1.529 1.00 41.52 C ATOM 1367 NE ARG A 674 -14.338 6.451 2.643 1.00 23.23 N ATOM 1368 CZ ARG A 674 -15.449 5.717 2.524 1.00 14.31 C ATOM 1369 NH1 ARG A 674 -15.981 5.501 1.317 1.00 44.10 N ATOM 1370 NH2 ARG A 674 -16.019 5.191 3.610 1.00 22.42 N ATOM 0 H ARG A 674 -9.872 6.889 0.699 1.00 62.30 H new ATOM 0 HA ARG A 674 -12.319 7.157 -0.725 1.00 72.10 H new ATOM 0 HB2 ARG A 674 -10.816 9.009 1.160 1.00 33.21 H new ATOM 0 HB3 ARG A 674 -12.413 9.354 0.527 1.00 33.21 H new ATOM 0 HG2 ARG A 674 -11.656 7.008 2.290 1.00 33.24 H new ATOM 0 HG3 ARG A 674 -12.538 8.439 2.787 1.00 33.24 H new ATOM 0 HD2 ARG A 674 -14.326 7.862 1.101 1.00 41.52 H new ATOM 0 HD3 ARG A 674 -13.463 6.379 0.746 1.00 41.52 H new ATOM 0 HE ARG A 674 -13.935 6.558 3.574 1.00 23.23 H new ATOM 0 HH11 ARG A 674 -15.539 5.896 0.487 1.00 44.10 H new ATOM 0 HH12 ARG A 674 -16.829 4.941 1.226 1.00 44.10 H new ATOM 0 HH21 ARG A 674 -15.607 5.349 4.530 1.00 22.42 H new ATOM 0 HH22 ARG A 674 -16.867 4.631 3.520 1.00 22.42 H new ATOM 1382 N ASP A 675 -11.988 9.525 -1.876 1.00 65.10 N ATOM 1383 CA ASP A 675 -11.912 10.483 -2.982 1.00 33.12 C ATOM 1384 C ASP A 675 -10.609 11.298 -3.012 1.00 14.30 C ATOM 1385 O ASP A 675 -10.040 11.496 -4.067 1.00 43.34 O ATOM 1386 CB ASP A 675 -13.116 11.439 -2.888 1.00 21.22 C ATOM 1387 CG ASP A 675 -13.205 12.130 -1.530 1.00 54.14 C ATOM 1388 OD1 ASP A 675 -13.694 11.496 -0.567 1.00 2.45 O ATOM 1389 OD2 ASP A 675 -12.758 13.277 -1.395 1.00 45.24 O ATOM 0 H ASP A 675 -12.842 9.625 -1.327 1.00 65.10 H new ATOM 0 HA ASP A 675 -11.928 9.906 -3.907 1.00 33.12 H new ATOM 0 HB2 ASP A 675 -13.040 12.193 -3.672 1.00 21.22 H new ATOM 0 HB3 ASP A 675 -14.035 10.881 -3.070 1.00 21.22 H new ATOM 1394 N GLY A 676 -10.133 11.730 -1.859 1.00 24.34 N ATOM 1395 CA GLY A 676 -8.899 12.509 -1.810 1.00 11.55 C ATOM 1396 C GLY A 676 -8.952 13.753 -2.696 1.00 44.01 C ATOM 1397 O GLY A 676 -9.643 14.724 -2.381 1.00 14.24 O ATOM 0 H GLY A 676 -10.571 11.561 -0.953 1.00 24.34 H new ATOM 0 HA2 GLY A 676 -8.704 12.809 -0.780 1.00 11.55 H new ATOM 0 HA3 GLY A 676 -8.065 11.881 -2.122 1.00 11.55 H new ATOM 1401 N THR A 677 -8.252 13.693 -3.798 1.00 43.30 N ATOM 1402 CA THR A 677 -8.176 14.765 -4.747 1.00 63.41 C ATOM 1403 C THR A 677 -8.354 14.205 -6.176 1.00 25.35 C ATOM 1404 O THR A 677 -7.583 13.347 -6.602 1.00 1.42 O ATOM 1405 CB THR A 677 -6.806 15.490 -4.608 1.00 60.14 C ATOM 1406 OG1 THR A 677 -6.730 16.117 -3.321 1.00 1.43 O ATOM 1407 CG2 THR A 677 -6.582 16.525 -5.704 1.00 4.43 C ATOM 0 H THR A 677 -7.706 12.874 -4.065 1.00 43.30 H new ATOM 0 HA THR A 677 -8.971 15.485 -4.553 1.00 63.41 H new ATOM 0 HB THR A 677 -6.022 14.740 -4.711 1.00 60.14 H new ATOM 0 HG1 THR A 677 -5.867 16.573 -3.230 1.00 1.43 H new ATOM 0 HG21 THR A 677 -5.612 17.002 -5.561 1.00 4.43 H new ATOM 0 HG22 THR A 677 -6.606 16.035 -6.677 1.00 4.43 H new ATOM 0 HG23 THR A 677 -7.368 17.279 -5.658 1.00 4.43 H new ATOM 1413 N PRO A 678 -9.389 14.649 -6.923 1.00 21.42 N ATOM 1414 CA PRO A 678 -9.624 14.198 -8.276 1.00 64.52 C ATOM 1415 C PRO A 678 -8.720 14.900 -9.263 1.00 22.41 C ATOM 1416 O PRO A 678 -8.217 15.997 -8.988 1.00 13.41 O ATOM 1417 CB PRO A 678 -11.083 14.528 -8.521 1.00 73.14 C ATOM 1418 CG PRO A 678 -11.283 15.770 -7.764 1.00 25.34 C ATOM 1419 CD PRO A 678 -10.417 15.631 -6.513 1.00 52.51 C ATOM 0 HA PRO A 678 -9.409 13.137 -8.405 1.00 64.52 H new ATOM 0 HB2 PRO A 678 -11.291 14.666 -9.582 1.00 73.14 H new ATOM 0 HB3 PRO A 678 -11.740 13.732 -8.169 1.00 73.14 H new ATOM 0 HG2 PRO A 678 -10.987 16.639 -8.351 1.00 25.34 H new ATOM 0 HG3 PRO A 678 -12.332 15.905 -7.502 1.00 25.34 H new ATOM 0 HD2 PRO A 678 -9.972 16.583 -6.223 1.00 52.51 H new ATOM 0 HD3 PRO A 678 -10.995 15.277 -5.660 1.00 52.51 H new ATOM 1427 N TYR A 679 -8.476 14.241 -10.374 1.00 33.32 N ATOM 1428 CA TYR A 679 -7.569 14.731 -11.410 1.00 53.14 C ATOM 1429 C TYR A 679 -7.917 16.129 -11.921 1.00 3.43 C ATOM 1430 O TYR A 679 -7.452 17.145 -11.385 1.00 1.53 O ATOM 1431 CB TYR A 679 -7.497 13.771 -12.617 1.00 53.41 C ATOM 1432 CG TYR A 679 -6.984 12.406 -12.308 1.00 10.21 C ATOM 1433 CD1 TYR A 679 -5.633 12.145 -12.338 1.00 71.51 C ATOM 1434 CD2 TYR A 679 -7.849 11.376 -11.993 1.00 64.41 C ATOM 1435 CE1 TYR A 679 -5.146 10.896 -12.059 1.00 43.23 C ATOM 1436 CE2 TYR A 679 -7.385 10.120 -11.710 1.00 3.10 C ATOM 1437 CZ TYR A 679 -6.017 9.882 -11.743 1.00 2.02 C ATOM 1438 OH TYR A 679 -5.520 8.643 -11.452 1.00 62.02 O ATOM 0 H TYR A 679 -8.901 13.340 -10.594 1.00 33.32 H new ATOM 0 HA TYR A 679 -6.598 14.782 -10.917 1.00 53.14 H new ATOM 0 HB2 TYR A 679 -8.494 13.679 -13.048 1.00 53.41 H new ATOM 0 HB3 TYR A 679 -6.860 14.218 -13.380 1.00 53.41 H new ATOM 0 HD1 TYR A 679 -4.945 12.939 -12.586 1.00 71.51 H new ATOM 0 HD2 TYR A 679 -8.912 11.566 -11.970 1.00 64.41 H new ATOM 0 HE1 TYR A 679 -4.083 10.709 -12.087 1.00 43.23 H new ATOM 0 HE2 TYR A 679 -8.073 9.325 -11.464 1.00 3.10 H new ATOM 0 HH TYR A 679 -6.149 8.167 -10.870 1.00 62.02 H new ATOM 1533 N THR A 685 -12.922 12.457 -11.291 1.00 14.33 N ATOM 1534 CA THR A 685 -12.433 11.205 -10.817 1.00 23.24 C ATOM 1535 C THR A 685 -11.373 11.375 -9.768 1.00 64.54 C ATOM 1536 O THR A 685 -10.305 11.956 -10.030 1.00 4.12 O ATOM 1537 CB THR A 685 -11.897 10.348 -11.949 1.00 70.54 C ATOM 1538 OG1 THR A 685 -12.903 10.238 -12.952 1.00 33.25 O ATOM 1539 CG2 THR A 685 -11.596 8.975 -11.424 1.00 1.41 C ATOM 0 HA THR A 685 -13.285 10.697 -10.365 1.00 23.24 H new ATOM 0 HB THR A 685 -10.994 10.798 -12.361 1.00 70.54 H new ATOM 0 HG1 THR A 685 -13.507 11.007 -12.895 1.00 33.25 H new ATOM 0 HG21 THR A 685 -11.210 8.353 -12.232 1.00 1.41 H new ATOM 0 HG22 THR A 685 -10.851 9.044 -10.632 1.00 1.41 H new ATOM 0 HG23 THR A 685 -12.508 8.529 -11.027 1.00 1.41 H new ATOM 1545 N PRO A 686 -11.646 10.864 -8.578 1.00 13.22 N ATOM 1546 CA PRO A 686 -10.744 10.958 -7.459 1.00 62.43 C ATOM 1547 C PRO A 686 -9.509 10.103 -7.668 1.00 65.45 C ATOM 1548 O PRO A 686 -9.614 8.949 -8.114 1.00 33.51 O ATOM 1549 CB PRO A 686 -11.571 10.395 -6.304 1.00 33.43 C ATOM 1550 CG PRO A 686 -12.564 9.499 -6.924 1.00 61.31 C ATOM 1551 CD PRO A 686 -12.882 10.108 -8.236 1.00 63.33 C ATOM 0 HA PRO A 686 -10.384 11.974 -7.297 1.00 62.43 H new ATOM 0 HB2 PRO A 686 -10.941 9.853 -5.599 1.00 33.43 H new ATOM 0 HB3 PRO A 686 -12.059 11.194 -5.746 1.00 33.43 H new ATOM 0 HG2 PRO A 686 -12.163 8.493 -7.045 1.00 61.31 H new ATOM 0 HG3 PRO A 686 -13.457 9.414 -6.304 1.00 61.31 H new ATOM 0 HD2 PRO A 686 -13.109 9.350 -8.986 1.00 63.33 H new ATOM 0 HD3 PRO A 686 -13.750 10.765 -8.174 1.00 63.33 H new ATOM 1559 N ARG A 687 -8.343 10.653 -7.387 1.00 64.24 N ATOM 1560 CA ARG A 687 -7.155 9.847 -7.433 1.00 55.14 C ATOM 1561 C ARG A 687 -7.191 9.001 -6.200 1.00 31.13 C ATOM 1562 O ARG A 687 -7.158 9.529 -5.089 1.00 2.34 O ATOM 1563 CB ARG A 687 -5.866 10.680 -7.428 1.00 73.14 C ATOM 1564 CG ARG A 687 -5.702 11.670 -8.562 1.00 22.43 C ATOM 1565 CD ARG A 687 -4.315 12.293 -8.505 1.00 15.45 C ATOM 1566 NE ARG A 687 -4.102 13.340 -9.519 1.00 63.45 N ATOM 1567 CZ ARG A 687 -2.973 13.487 -10.255 1.00 43.34 C ATOM 1568 NH1 ARG A 687 -2.041 12.525 -10.277 1.00 72.32 N ATOM 1569 NH2 ARG A 687 -2.817 14.556 -11.010 1.00 63.01 N ATOM 0 H ARG A 687 -8.201 11.630 -7.131 1.00 64.24 H new ATOM 0 HA ARG A 687 -7.143 9.269 -8.357 1.00 55.14 H new ATOM 0 HB2 ARG A 687 -5.816 11.227 -6.487 1.00 73.14 H new ATOM 0 HB3 ARG A 687 -5.017 9.997 -7.445 1.00 73.14 H new ATOM 0 HG2 ARG A 687 -5.846 11.168 -9.519 1.00 22.43 H new ATOM 0 HG3 ARG A 687 -6.463 12.447 -8.492 1.00 22.43 H new ATOM 0 HD2 ARG A 687 -4.157 12.719 -7.514 1.00 15.45 H new ATOM 0 HD3 ARG A 687 -3.568 11.511 -8.639 1.00 15.45 H new ATOM 0 HE ARG A 687 -4.860 14.003 -9.679 1.00 63.45 H new ATOM 0 HH11 ARG A 687 -2.177 11.671 -9.736 1.00 72.32 H new ATOM 0 HH12 ARG A 687 -1.196 12.647 -10.834 1.00 72.32 H new ATOM 0 HH21 ARG A 687 -3.545 15.270 -11.039 1.00 63.01 H new ATOM 0 HH22 ARG A 687 -1.969 14.669 -11.565 1.00 63.01 H new ATOM 1581 N ALA A 688 -7.283 7.721 -6.365 1.00 63.01 N ATOM 1582 CA ALA A 688 -7.407 6.872 -5.225 1.00 15.51 C ATOM 1583 C ALA A 688 -6.394 5.786 -5.284 1.00 42.22 C ATOM 1584 O ALA A 688 -5.767 5.572 -6.321 1.00 54.31 O ATOM 1585 CB ALA A 688 -8.819 6.303 -5.126 1.00 24.51 C ATOM 0 H ALA A 688 -7.275 7.245 -7.267 1.00 63.01 H new ATOM 0 HA ALA A 688 -7.225 7.462 -4.327 1.00 15.51 H new ATOM 0 HB1 ALA A 688 -8.891 5.659 -4.250 1.00 24.51 H new ATOM 0 HB2 ALA A 688 -9.535 7.120 -5.036 1.00 24.51 H new ATOM 0 HB3 ALA A 688 -9.041 5.723 -6.022 1.00 24.51 H new ATOM 1591 N THR A 689 -6.218 5.120 -4.191 1.00 25.11 N ATOM 1592 CA THR A 689 -5.283 4.052 -4.091 1.00 44.10 C ATOM 1593 C THR A 689 -6.022 2.745 -3.870 1.00 31.31 C ATOM 1594 O THR A 689 -6.950 2.675 -3.043 1.00 2.45 O ATOM 1595 CB THR A 689 -4.330 4.312 -2.908 1.00 15.20 C ATOM 1596 OG1 THR A 689 -3.691 5.565 -3.104 1.00 52.34 O ATOM 1597 CG2 THR A 689 -3.272 3.228 -2.789 1.00 41.11 C ATOM 0 H THR A 689 -6.729 5.307 -3.328 1.00 25.11 H new ATOM 0 HA THR A 689 -4.707 3.988 -5.014 1.00 44.10 H new ATOM 0 HB THR A 689 -4.916 4.312 -1.989 1.00 15.20 H new ATOM 0 HG1 THR A 689 -4.277 6.284 -2.788 1.00 52.34 H new ATOM 0 HG21 THR A 689 -2.620 3.447 -1.944 1.00 41.11 H new ATOM 0 HG22 THR A 689 -3.755 2.263 -2.634 1.00 41.11 H new ATOM 0 HG23 THR A 689 -2.681 3.195 -3.704 1.00 41.11 H new ATOM 1603 N LEU A 690 -5.650 1.744 -4.626 1.00 12.54 N ATOM 1604 CA LEU A 690 -6.180 0.435 -4.477 1.00 53.05 C ATOM 1605 C LEU A 690 -4.995 -0.470 -4.234 1.00 60.40 C ATOM 1606 O LEU A 690 -4.119 -0.624 -5.091 1.00 34.52 O ATOM 1607 CB LEU A 690 -6.971 0.019 -5.752 1.00 22.31 C ATOM 1608 CG LEU A 690 -7.808 -1.303 -5.724 1.00 32.44 C ATOM 1609 CD1 LEU A 690 -6.952 -2.537 -5.562 1.00 53.41 C ATOM 1610 CD2 LEU A 690 -8.848 -1.253 -4.631 1.00 45.15 C ATOM 0 H LEU A 690 -4.959 1.829 -5.371 1.00 12.54 H new ATOM 0 HA LEU A 690 -6.886 0.375 -3.648 1.00 53.05 H new ATOM 0 HB2 LEU A 690 -7.651 0.834 -5.999 1.00 22.31 H new ATOM 0 HB3 LEU A 690 -6.257 -0.060 -6.572 1.00 22.31 H new ATOM 0 HG LEU A 690 -8.300 -1.376 -6.694 1.00 32.44 H new ATOM 0 HD11 LEU A 690 -7.588 -3.422 -5.550 1.00 53.41 H new ATOM 0 HD12 LEU A 690 -6.251 -2.606 -6.394 1.00 53.41 H new ATOM 0 HD13 LEU A 690 -6.398 -2.475 -4.625 1.00 53.41 H new ATOM 0 HD21 LEU A 690 -9.419 -2.182 -4.629 1.00 45.15 H new ATOM 0 HD22 LEU A 690 -8.356 -1.127 -3.666 1.00 45.15 H new ATOM 0 HD23 LEU A 690 -9.521 -0.414 -4.807 1.00 45.15 H new ATOM 1618 N ILE A 691 -4.951 -1.044 -3.090 1.00 54.45 N ATOM 1619 CA ILE A 691 -3.862 -1.906 -2.743 1.00 54.12 C ATOM 1620 C ILE A 691 -4.325 -3.336 -2.873 1.00 15.13 C ATOM 1621 O ILE A 691 -5.325 -3.715 -2.291 1.00 1.41 O ATOM 1622 CB ILE A 691 -3.386 -1.631 -1.300 1.00 53.12 C ATOM 1623 CG1 ILE A 691 -3.004 -0.153 -1.156 1.00 35.40 C ATOM 1624 CG2 ILE A 691 -2.188 -2.518 -0.964 1.00 35.13 C ATOM 1625 CD1 ILE A 691 -2.657 0.267 0.259 1.00 35.53 C ATOM 0 H ILE A 691 -5.660 -0.937 -2.364 1.00 54.45 H new ATOM 0 HA ILE A 691 -3.022 -1.721 -3.413 1.00 54.12 H new ATOM 0 HB ILE A 691 -4.195 -1.860 -0.607 1.00 53.12 H new ATOM 0 HG12 ILE A 691 -2.152 0.055 -1.803 1.00 35.40 H new ATOM 0 HG13 ILE A 691 -3.832 0.460 -1.512 1.00 35.40 H new ATOM 0 HG21 ILE A 691 -1.860 -2.316 0.056 1.00 35.13 H new ATOM 0 HG22 ILE A 691 -2.475 -3.566 -1.052 1.00 35.13 H new ATOM 0 HG23 ILE A 691 -1.373 -2.306 -1.656 1.00 35.13 H new ATOM 0 HD11 ILE A 691 -2.399 1.326 0.271 1.00 35.53 H new ATOM 0 HD12 ILE A 691 -3.514 0.095 0.910 1.00 35.53 H new ATOM 0 HD13 ILE A 691 -1.808 -0.317 0.614 1.00 35.53 H new ATOM 1632 N THR A 692 -3.633 -4.094 -3.669 1.00 0.21 N ATOM 1633 CA THR A 692 -3.954 -5.457 -3.901 1.00 51.24 C ATOM 1634 C THR A 692 -2.940 -6.311 -3.162 1.00 11.01 C ATOM 1635 O THR A 692 -1.745 -6.262 -3.443 1.00 61.20 O ATOM 1636 CB THR A 692 -3.861 -5.732 -5.392 1.00 42.10 C ATOM 1637 OG1 THR A 692 -4.627 -4.724 -6.082 1.00 64.14 O ATOM 1638 CG2 THR A 692 -4.411 -7.107 -5.741 1.00 60.14 C ATOM 0 H THR A 692 -2.814 -3.769 -4.183 1.00 0.21 H new ATOM 0 HA THR A 692 -4.961 -5.685 -3.552 1.00 51.24 H new ATOM 0 HB THR A 692 -2.814 -5.706 -5.692 1.00 42.10 H new ATOM 0 HG1 THR A 692 -4.579 -4.881 -7.048 1.00 64.14 H new ATOM 0 HG21 THR A 692 -4.329 -7.270 -6.816 1.00 60.14 H new ATOM 0 HG22 THR A 692 -3.841 -7.872 -5.213 1.00 60.14 H new ATOM 0 HG23 THR A 692 -5.458 -7.166 -5.444 1.00 60.14 H new ATOM 1644 N PHE A 693 -3.408 -7.065 -2.241 1.00 71.34 N ATOM 1645 CA PHE A 693 -2.573 -7.858 -1.399 1.00 50.13 C ATOM 1646 C PHE A 693 -2.416 -9.226 -1.984 1.00 34.41 C ATOM 1647 O PHE A 693 -3.402 -9.887 -2.323 1.00 23.33 O ATOM 1648 CB PHE A 693 -3.189 -7.946 -0.025 1.00 22.33 C ATOM 1649 CG PHE A 693 -3.315 -6.610 0.678 1.00 11.43 C ATOM 1650 CD1 PHE A 693 -4.290 -5.698 0.304 1.00 72.53 C ATOM 1651 CD2 PHE A 693 -2.469 -6.278 1.715 1.00 45.40 C ATOM 1652 CE1 PHE A 693 -4.415 -4.499 0.945 1.00 14.12 C ATOM 1653 CE2 PHE A 693 -2.588 -5.070 2.359 1.00 60.42 C ATOM 1654 CZ PHE A 693 -3.564 -4.183 1.972 1.00 1.31 C ATOM 0 H PHE A 693 -4.404 -7.156 -2.040 1.00 71.34 H new ATOM 0 HA PHE A 693 -1.589 -7.396 -1.321 1.00 50.13 H new ATOM 0 HB2 PHE A 693 -4.178 -8.396 -0.109 1.00 22.33 H new ATOM 0 HB3 PHE A 693 -2.586 -8.614 0.590 1.00 22.33 H new ATOM 0 HD1 PHE A 693 -4.961 -5.940 -0.507 1.00 72.53 H new ATOM 0 HD2 PHE A 693 -1.704 -6.975 2.024 1.00 45.40 H new ATOM 0 HE1 PHE A 693 -5.182 -3.801 0.644 1.00 14.12 H new ATOM 0 HE2 PHE A 693 -1.917 -4.818 3.167 1.00 60.42 H new ATOM 0 HZ PHE A 693 -3.661 -3.234 2.479 1.00 1.31 H new ATOM 1664 N LEU A 694 -1.201 -9.645 -2.102 1.00 23.12 N ATOM 1665 CA LEU A 694 -0.892 -10.897 -2.697 1.00 23.40 C ATOM 1666 C LEU A 694 -0.294 -11.809 -1.674 1.00 24.44 C ATOM 1667 O LEU A 694 0.361 -11.359 -0.714 1.00 2.13 O ATOM 1668 CB LEU A 694 0.092 -10.704 -3.849 1.00 11.31 C ATOM 1669 CG LEU A 694 -0.346 -9.727 -4.933 1.00 21.42 C ATOM 1670 CD1 LEU A 694 0.728 -9.570 -5.987 1.00 13.32 C ATOM 1671 CD2 LEU A 694 -1.656 -10.155 -5.566 1.00 44.54 C ATOM 0 H LEU A 694 -0.387 -9.120 -1.784 1.00 23.12 H new ATOM 0 HA LEU A 694 -1.810 -11.339 -3.084 1.00 23.40 H new ATOM 0 HB2 LEU A 694 1.042 -10.361 -3.438 1.00 11.31 H new ATOM 0 HB3 LEU A 694 0.276 -11.673 -4.312 1.00 11.31 H new ATOM 0 HG LEU A 694 -0.504 -8.759 -4.458 1.00 21.42 H new ATOM 0 HD11 LEU A 694 0.390 -8.868 -6.749 1.00 13.32 H new ATOM 0 HD12 LEU A 694 1.640 -9.192 -5.524 1.00 13.32 H new ATOM 0 HD13 LEU A 694 0.929 -10.537 -6.449 1.00 13.32 H new ATOM 0 HD21 LEU A 694 -1.940 -9.437 -6.335 1.00 44.54 H new ATOM 0 HD22 LEU A 694 -1.538 -11.141 -6.016 1.00 44.54 H new ATOM 0 HD23 LEU A 694 -2.433 -10.196 -4.803 1.00 44.54 H new ATOM 1679 N CYS A 695 -0.522 -13.060 -1.863 1.00 15.52 N ATOM 1680 CA CYS A 695 -0.003 -14.073 -0.996 1.00 23.53 C ATOM 1681 C CYS A 695 1.475 -14.271 -1.197 1.00 13.42 C ATOM 1682 O CYS A 695 1.944 -14.552 -2.310 1.00 53.52 O ATOM 1683 CB CYS A 695 -0.755 -15.414 -1.149 1.00 53.00 C ATOM 1684 SG CYS A 695 0.147 -16.861 -0.447 1.00 71.21 S ATOM 0 H CYS A 695 -1.083 -13.421 -2.635 1.00 15.52 H new ATOM 0 HA CYS A 695 -0.164 -13.719 0.022 1.00 23.53 H new ATOM 0 HB2 CYS A 695 -1.726 -15.332 -0.661 1.00 53.00 H new ATOM 0 HB3 CYS A 695 -0.944 -15.595 -2.207 1.00 53.00 H new ATOM 1745 N GLY A 700 6.933 -11.010 5.797 1.00 52.25 N ATOM 1746 CA GLY A 700 6.979 -10.208 6.964 1.00 70.14 C ATOM 1747 C GLY A 700 5.754 -9.380 7.011 1.00 31.22 C ATOM 1748 O GLY A 700 4.648 -9.902 6.795 1.00 44.00 O ATOM 0 HA2 GLY A 700 7.047 -10.835 7.853 1.00 70.14 H new ATOM 0 HA3 GLY A 700 7.865 -9.574 6.953 1.00 70.14 H new ATOM 1752 N VAL A 701 5.917 -8.104 7.225 1.00 61.30 N ATOM 1753 CA VAL A 701 4.795 -7.209 7.260 1.00 35.34 C ATOM 1754 C VAL A 701 4.335 -6.943 5.829 1.00 25.13 C ATOM 1755 O VAL A 701 3.135 -6.785 5.548 1.00 1.22 O ATOM 1756 CB VAL A 701 5.140 -5.888 8.003 1.00 15.15 C ATOM 1757 CG1 VAL A 701 6.171 -5.032 7.271 1.00 14.41 C ATOM 1758 CG2 VAL A 701 3.898 -5.108 8.368 1.00 51.44 C ATOM 0 H VAL A 701 6.822 -7.659 7.379 1.00 61.30 H new ATOM 0 HA VAL A 701 3.983 -7.673 7.820 1.00 35.34 H new ATOM 0 HB VAL A 701 5.620 -6.184 8.936 1.00 15.15 H new ATOM 0 HG11 VAL A 701 6.365 -4.126 7.845 1.00 14.41 H new ATOM 0 HG12 VAL A 701 7.097 -5.595 7.158 1.00 14.41 H new ATOM 0 HG13 VAL A 701 5.788 -4.763 6.287 1.00 14.41 H new ATOM 0 HG21 VAL A 701 4.183 -4.192 8.886 1.00 51.44 H new ATOM 0 HG22 VAL A 701 3.347 -4.857 7.462 1.00 51.44 H new ATOM 0 HG23 VAL A 701 3.267 -5.712 9.020 1.00 51.44 H new ATOM 1764 N GLY A 702 5.285 -6.950 4.929 1.00 21.03 N ATOM 1765 CA GLY A 702 4.994 -6.791 3.568 1.00 34.43 C ATOM 1766 C GLY A 702 5.552 -5.533 2.981 1.00 10.35 C ATOM 1767 O GLY A 702 5.760 -4.532 3.670 1.00 1.15 O ATOM 0 H GLY A 702 6.276 -7.068 5.142 1.00 21.03 H new ATOM 0 HA2 GLY A 702 5.389 -7.645 3.018 1.00 34.43 H new ATOM 0 HA3 GLY A 702 3.912 -6.797 3.433 1.00 34.43 H new ATOM 1771 N PHE A 703 5.819 -5.611 1.729 1.00 42.34 N ATOM 1772 CA PHE A 703 6.281 -4.493 0.929 1.00 50.35 C ATOM 1773 C PHE A 703 5.337 -4.260 -0.256 1.00 22.44 C ATOM 1774 O PHE A 703 5.062 -5.191 -1.031 1.00 1.24 O ATOM 1775 CB PHE A 703 7.710 -4.718 0.397 1.00 20.14 C ATOM 1776 CG PHE A 703 8.803 -4.730 1.435 1.00 65.22 C ATOM 1777 CD1 PHE A 703 9.416 -3.547 1.823 1.00 64.45 C ATOM 1778 CD2 PHE A 703 9.234 -5.914 2.002 1.00 70.51 C ATOM 1779 CE1 PHE A 703 10.430 -3.546 2.759 1.00 33.44 C ATOM 1780 CE2 PHE A 703 10.253 -5.920 2.938 1.00 72.22 C ATOM 1781 CZ PHE A 703 10.849 -4.735 3.318 1.00 50.34 C ATOM 0 H PHE A 703 5.725 -6.476 1.197 1.00 42.34 H new ATOM 0 HA PHE A 703 6.289 -3.617 1.578 1.00 50.35 H new ATOM 0 HB2 PHE A 703 7.733 -5.667 -0.138 1.00 20.14 H new ATOM 0 HB3 PHE A 703 7.934 -3.937 -0.330 1.00 20.14 H new ATOM 0 HD1 PHE A 703 9.095 -2.613 1.386 1.00 64.45 H new ATOM 0 HD2 PHE A 703 8.770 -6.845 1.711 1.00 70.51 H new ATOM 0 HE1 PHE A 703 10.894 -2.616 3.053 1.00 33.44 H new ATOM 0 HE2 PHE A 703 10.582 -6.853 3.371 1.00 72.22 H new ATOM 0 HZ PHE A 703 11.642 -4.739 4.051 1.00 50.34 H new ATOM 1791 N PRO A 704 4.789 -3.041 -0.384 1.00 51.32 N ATOM 1792 CA PRO A 704 3.952 -2.668 -1.523 1.00 42.02 C ATOM 1793 C PRO A 704 4.789 -2.227 -2.736 1.00 32.42 C ATOM 1794 O PRO A 704 5.889 -1.664 -2.581 1.00 42.34 O ATOM 1795 CB PRO A 704 3.157 -1.482 -0.986 1.00 2.24 C ATOM 1796 CG PRO A 704 4.067 -0.837 0.006 1.00 52.30 C ATOM 1797 CD PRO A 704 4.907 -1.943 0.597 1.00 4.41 C ATOM 0 HA PRO A 704 3.340 -3.499 -1.875 1.00 42.02 H new ATOM 0 HB2 PRO A 704 2.888 -0.791 -1.785 1.00 2.24 H new ATOM 0 HB3 PRO A 704 2.227 -1.807 -0.519 1.00 2.24 H new ATOM 0 HG2 PRO A 704 4.695 -0.087 -0.474 1.00 52.30 H new ATOM 0 HG3 PRO A 704 3.496 -0.326 0.782 1.00 52.30 H new ATOM 0 HD2 PRO A 704 5.944 -1.632 0.726 1.00 4.41 H new ATOM 0 HD3 PRO A 704 4.540 -2.243 1.578 1.00 4.41 H new ATOM 1805 N GLU A 705 4.290 -2.499 -3.921 1.00 2.22 N ATOM 1806 CA GLU A 705 4.945 -2.091 -5.140 1.00 65.31 C ATOM 1807 C GLU A 705 3.939 -1.415 -6.063 1.00 61.20 C ATOM 1808 O GLU A 705 2.803 -1.893 -6.208 1.00 12.32 O ATOM 1809 CB GLU A 705 5.567 -3.306 -5.834 1.00 22.44 C ATOM 1810 CG GLU A 705 6.350 -2.962 -7.087 1.00 13.10 C ATOM 1811 CD GLU A 705 7.470 -1.993 -6.803 1.00 4.43 C ATOM 1812 OE1 GLU A 705 8.588 -2.444 -6.466 1.00 44.21 O ATOM 1813 OE2 GLU A 705 7.251 -0.772 -6.898 1.00 30.24 O ATOM 0 H GLU A 705 3.419 -3.009 -4.065 1.00 2.22 H new ATOM 0 HA GLU A 705 5.738 -1.383 -4.900 1.00 65.31 H new ATOM 0 HB2 GLU A 705 6.228 -3.815 -5.132 1.00 22.44 H new ATOM 0 HB3 GLU A 705 4.776 -4.009 -6.093 1.00 22.44 H new ATOM 0 HG2 GLU A 705 6.760 -3.874 -7.520 1.00 13.10 H new ATOM 0 HG3 GLU A 705 5.677 -2.532 -7.829 1.00 13.10 H new ATOM 1820 N TYR A 706 4.349 -0.327 -6.684 1.00 2.21 N ATOM 1821 CA TYR A 706 3.487 0.421 -7.575 1.00 72.34 C ATOM 1822 C TYR A 706 3.418 -0.239 -8.924 1.00 44.55 C ATOM 1823 O TYR A 706 4.432 -0.418 -9.601 1.00 54.42 O ATOM 1824 CB TYR A 706 3.932 1.887 -7.700 1.00 72.01 C ATOM 1825 CG TYR A 706 3.133 2.688 -8.706 1.00 64.22 C ATOM 1826 CD1 TYR A 706 1.763 2.870 -8.559 1.00 62.34 C ATOM 1827 CD2 TYR A 706 3.750 3.253 -9.809 1.00 51.25 C ATOM 1828 CE1 TYR A 706 1.042 3.590 -9.476 1.00 44.02 C ATOM 1829 CE2 TYR A 706 3.039 3.975 -10.729 1.00 32.11 C ATOM 1830 CZ TYR A 706 1.688 4.143 -10.565 1.00 4.53 C ATOM 1831 OH TYR A 706 0.979 4.873 -11.483 1.00 0.21 O ATOM 0 H TYR A 706 5.287 0.062 -6.585 1.00 2.21 H new ATOM 0 HA TYR A 706 2.487 0.423 -7.142 1.00 72.34 H new ATOM 0 HB2 TYR A 706 3.852 2.365 -6.724 1.00 72.01 H new ATOM 0 HB3 TYR A 706 4.984 1.914 -7.983 1.00 72.01 H new ATOM 0 HD1 TYR A 706 1.258 2.437 -7.708 1.00 62.34 H new ATOM 0 HD2 TYR A 706 4.813 3.121 -9.946 1.00 51.25 H new ATOM 0 HE1 TYR A 706 -0.022 3.724 -9.348 1.00 44.02 H new ATOM 0 HE2 TYR A 706 3.540 4.411 -11.581 1.00 32.11 H new ATOM 0 HH TYR A 706 1.584 5.191 -12.185 1.00 0.21 H new ATOM 1841 N GLN A 707 2.229 -0.613 -9.315 1.00 51.21 N ATOM 1842 CA GLN A 707 2.051 -1.267 -10.567 1.00 60.30 C ATOM 1843 C GLN A 707 1.478 -0.363 -11.620 1.00 61.45 C ATOM 1844 O GLN A 707 2.213 0.128 -12.478 1.00 20.42 O ATOM 1845 CB GLN A 707 1.256 -2.560 -10.414 1.00 23.34 C ATOM 1846 CG GLN A 707 2.021 -3.605 -9.633 1.00 61.13 C ATOM 1847 CD GLN A 707 3.297 -4.027 -10.360 1.00 35.23 C ATOM 1848 OE1 GLN A 707 3.348 -4.036 -11.591 1.00 72.14 O ATOM 1849 NE2 GLN A 707 4.331 -4.337 -9.621 1.00 50.34 N ATOM 0 H GLN A 707 1.373 -0.472 -8.778 1.00 51.21 H new ATOM 0 HA GLN A 707 3.044 -1.540 -10.923 1.00 60.30 H new ATOM 0 HB2 GLN A 707 0.313 -2.349 -9.910 1.00 23.34 H new ATOM 0 HB3 GLN A 707 1.009 -2.953 -11.400 1.00 23.34 H new ATOM 0 HG2 GLN A 707 2.275 -3.211 -8.649 1.00 61.13 H new ATOM 0 HG3 GLN A 707 1.387 -4.477 -9.473 1.00 61.13 H new ATOM 0 HE21 GLN A 707 4.255 -4.319 -8.604 1.00 50.34 H new ATOM 0 HE22 GLN A 707 5.214 -4.596 -10.062 1.00 50.34 H new ATOM 1857 N GLU A 708 0.204 -0.079 -11.545 1.00 64.42 N ATOM 1858 CA GLU A 708 -0.409 0.657 -12.610 1.00 21.12 C ATOM 1859 C GLU A 708 -1.490 1.604 -12.165 1.00 5.24 C ATOM 1860 O GLU A 708 -2.450 1.221 -11.491 1.00 2.11 O ATOM 1861 CB GLU A 708 -1.000 -0.313 -13.636 1.00 24.04 C ATOM 1862 CG GLU A 708 -2.012 -1.288 -13.031 1.00 14.42 C ATOM 1863 CD GLU A 708 -2.662 -2.191 -14.030 1.00 44.15 C ATOM 1864 OE1 GLU A 708 -3.647 -1.778 -14.670 1.00 52.10 O ATOM 1865 OE2 GLU A 708 -2.227 -3.344 -14.169 1.00 54.24 O ATOM 0 H GLU A 708 -0.414 -0.340 -10.776 1.00 64.42 H new ATOM 0 HA GLU A 708 0.385 1.265 -13.043 1.00 21.12 H new ATOM 0 HB2 GLU A 708 -1.484 0.257 -14.429 1.00 24.04 H new ATOM 0 HB3 GLU A 708 -0.192 -0.879 -14.099 1.00 24.04 H new ATOM 0 HG2 GLU A 708 -1.509 -1.897 -12.280 1.00 14.42 H new ATOM 0 HG3 GLU A 708 -2.785 -0.719 -12.515 1.00 14.42 H new ATOM 1872 N GLU A 709 -1.285 2.845 -12.432 1.00 53.14 N ATOM 1873 CA GLU A 709 -2.392 3.756 -12.461 1.00 53.42 C ATOM 1874 C GLU A 709 -2.899 3.672 -13.887 1.00 31.32 C ATOM 1875 O GLU A 709 -2.114 3.819 -14.825 1.00 71.13 O ATOM 1876 CB GLU A 709 -1.982 5.184 -12.074 1.00 44.00 C ATOM 1877 CG GLU A 709 -3.132 6.201 -11.935 1.00 62.55 C ATOM 1878 CD GLU A 709 -3.811 6.569 -13.240 1.00 62.31 C ATOM 1879 OE1 GLU A 709 -3.206 7.312 -14.035 1.00 55.31 O ATOM 1880 OE2 GLU A 709 -4.959 6.141 -13.477 1.00 21.21 O ATOM 0 H GLU A 709 -0.374 3.257 -12.633 1.00 53.14 H new ATOM 0 HA GLU A 709 -3.160 3.495 -11.733 1.00 53.42 H new ATOM 0 HB2 GLU A 709 -1.443 5.143 -11.127 1.00 44.00 H new ATOM 0 HB3 GLU A 709 -1.283 5.556 -12.823 1.00 44.00 H new ATOM 0 HG2 GLU A 709 -3.879 5.794 -11.254 1.00 62.55 H new ATOM 0 HG3 GLU A 709 -2.743 7.109 -11.475 1.00 62.55 H new ATOM 1887 N ASP A 710 -4.147 3.430 -14.051 1.00 25.24 N ATOM 1888 CA ASP A 710 -4.730 3.260 -15.379 1.00 21.52 C ATOM 1889 C ASP A 710 -6.218 3.359 -15.288 1.00 51.22 C ATOM 1890 O ASP A 710 -6.871 4.053 -16.068 1.00 34.11 O ATOM 1891 CB ASP A 710 -4.309 1.907 -15.965 1.00 72.04 C ATOM 1892 CG ASP A 710 -5.057 1.529 -17.215 1.00 74.14 C ATOM 1893 OD1 ASP A 710 -4.680 1.973 -18.320 1.00 3.03 O ATOM 1894 OD2 ASP A 710 -6.022 0.761 -17.113 1.00 74.01 O ATOM 0 H ASP A 710 -4.814 3.340 -13.285 1.00 25.24 H new ATOM 0 HA ASP A 710 -4.368 4.047 -16.041 1.00 21.52 H new ATOM 0 HB2 ASP A 710 -3.242 1.933 -16.185 1.00 72.04 H new ATOM 0 HB3 ASP A 710 -4.461 1.133 -15.213 1.00 72.04 H new ATOM 1899 N ASN A 711 -6.744 2.704 -14.292 1.00 42.51 N ATOM 1900 CA ASN A 711 -8.171 2.689 -14.018 1.00 12.25 C ATOM 1901 C ASN A 711 -8.572 3.897 -13.163 1.00 14.10 C ATOM 1902 O ASN A 711 -9.599 3.874 -12.483 1.00 44.15 O ATOM 1903 CB ASN A 711 -8.547 1.377 -13.303 1.00 50.33 C ATOM 1904 CG ASN A 711 -7.778 1.155 -12.018 1.00 53.33 C ATOM 1905 OD1 ASN A 711 -8.190 1.589 -10.959 1.00 5.44 O ATOM 1906 ND2 ASN A 711 -6.665 0.455 -12.103 1.00 54.54 N ATOM 0 H ASN A 711 -6.194 2.154 -13.632 1.00 42.51 H new ATOM 0 HA ASN A 711 -8.711 2.750 -14.963 1.00 12.25 H new ATOM 0 HB2 ASN A 711 -9.615 1.384 -13.083 1.00 50.33 H new ATOM 0 HB3 ASN A 711 -8.366 0.539 -13.976 1.00 50.33 H new ATOM 0 HD21 ASN A 711 -6.119 0.261 -11.264 1.00 54.54 H new ATOM 0 HD22 ASN A 711 -6.350 0.107 -13.008 1.00 54.54 H new ATOM 1912 N SER A 712 -7.744 4.963 -13.218 1.00 23.02 N ATOM 1913 CA SER A 712 -7.957 6.221 -12.487 1.00 1.34 C ATOM 1914 C SER A 712 -7.683 6.064 -10.975 1.00 52.03 C ATOM 1915 O SER A 712 -7.799 7.003 -10.193 1.00 21.35 O ATOM 1916 CB SER A 712 -9.341 6.801 -12.773 1.00 31.34 C ATOM 1917 OG SER A 712 -9.532 6.988 -14.182 1.00 63.03 O ATOM 0 H SER A 712 -6.895 4.968 -13.783 1.00 23.02 H new ATOM 0 HA SER A 712 -7.228 6.943 -12.855 1.00 1.34 H new ATOM 0 HB2 SER A 712 -10.108 6.133 -12.383 1.00 31.34 H new ATOM 0 HB3 SER A 712 -9.455 7.754 -12.256 1.00 31.34 H new ATOM 0 HG SER A 712 -10.425 7.358 -14.345 1.00 63.03 H new ATOM 1923 N THR A 713 -7.321 4.881 -10.605 1.00 12.43 N ATOM 1924 CA THR A 713 -6.970 4.536 -9.286 1.00 21.44 C ATOM 1925 C THR A 713 -5.588 3.896 -9.352 1.00 1.55 C ATOM 1926 O THR A 713 -5.273 3.177 -10.317 1.00 20.53 O ATOM 1927 CB THR A 713 -8.008 3.541 -8.720 1.00 5.14 C ATOM 1928 OG1 THR A 713 -9.320 4.132 -8.794 1.00 34.52 O ATOM 1929 CG2 THR A 713 -7.711 3.170 -7.283 1.00 34.34 C ATOM 0 H THR A 713 -7.262 4.096 -11.254 1.00 12.43 H new ATOM 0 HA THR A 713 -6.955 5.408 -8.632 1.00 21.44 H new ATOM 0 HB THR A 713 -7.960 2.631 -9.318 1.00 5.14 H new ATOM 0 HG1 THR A 713 -9.982 3.504 -8.438 1.00 34.52 H new ATOM 0 HG21 THR A 713 -8.465 2.469 -6.925 1.00 34.34 H new ATOM 0 HG22 THR A 713 -6.727 2.706 -7.223 1.00 34.34 H new ATOM 0 HG23 THR A 713 -7.727 4.068 -6.665 1.00 34.34 H new ATOM 1935 N TYR A 714 -4.772 4.186 -8.389 1.00 71.44 N ATOM 1936 CA TYR A 714 -3.430 3.688 -8.334 1.00 25.14 C ATOM 1937 C TYR A 714 -3.418 2.324 -7.685 1.00 52.51 C ATOM 1938 O TYR A 714 -3.823 2.176 -6.544 1.00 13.55 O ATOM 1939 CB TYR A 714 -2.534 4.663 -7.547 1.00 54.43 C ATOM 1940 CG TYR A 714 -2.347 6.026 -8.201 1.00 44.24 C ATOM 1941 CD1 TYR A 714 -3.377 6.963 -8.239 1.00 62.21 C ATOM 1942 CD2 TYR A 714 -1.133 6.377 -8.766 1.00 42.22 C ATOM 1943 CE1 TYR A 714 -3.194 8.203 -8.827 1.00 43.04 C ATOM 1944 CE2 TYR A 714 -0.942 7.610 -9.354 1.00 62.42 C ATOM 1945 CZ TYR A 714 -1.973 8.518 -9.381 1.00 2.10 C ATOM 1946 OH TYR A 714 -1.778 9.758 -9.967 1.00 35.55 O ATOM 0 H TYR A 714 -5.022 4.786 -7.603 1.00 71.44 H new ATOM 0 HA TYR A 714 -3.040 3.601 -9.348 1.00 25.14 H new ATOM 0 HB2 TYR A 714 -2.961 4.807 -6.555 1.00 54.43 H new ATOM 0 HB3 TYR A 714 -1.555 4.204 -7.409 1.00 54.43 H new ATOM 0 HD1 TYR A 714 -4.334 6.718 -7.803 1.00 62.21 H new ATOM 0 HD2 TYR A 714 -0.317 5.670 -8.746 1.00 42.22 H new ATOM 0 HE1 TYR A 714 -4.003 8.918 -8.851 1.00 43.04 H new ATOM 0 HE2 TYR A 714 0.013 7.861 -9.791 1.00 62.42 H new ATOM 0 HH TYR A 714 -1.245 9.654 -10.783 1.00 35.55 H new ATOM 1956 N ASN A 715 -2.958 1.344 -8.411 1.00 13.54 N ATOM 1957 CA ASN A 715 -2.874 -0.020 -7.897 1.00 2.32 C ATOM 1958 C ASN A 715 -1.484 -0.362 -7.464 1.00 64.13 C ATOM 1959 O ASN A 715 -0.497 -0.181 -8.210 1.00 64.54 O ATOM 1960 CB ASN A 715 -3.321 -1.051 -8.934 1.00 41.01 C ATOM 1961 CG ASN A 715 -4.825 -1.250 -9.031 1.00 64.14 C ATOM 1962 OD1 ASN A 715 -5.513 -0.537 -9.757 1.00 44.24 O ATOM 1963 ND2 ASN A 715 -5.344 -2.259 -8.334 1.00 32.40 N ATOM 0 H ASN A 715 -2.630 1.453 -9.371 1.00 13.54 H new ATOM 0 HA ASN A 715 -3.545 -0.056 -7.039 1.00 2.32 H new ATOM 0 HB2 ASN A 715 -2.945 -0.748 -9.911 1.00 41.01 H new ATOM 0 HB3 ASN A 715 -2.857 -2.008 -8.697 1.00 41.01 H new ATOM 0 HD21 ASN A 715 -6.342 -2.460 -8.394 1.00 32.40 H new ATOM 0 HD22 ASN A 715 -4.743 -2.831 -7.741 1.00 32.40 H new ATOM 1969 N PHE A 716 -1.409 -0.840 -6.264 1.00 1.44 N ATOM 1970 CA PHE A 716 -0.194 -1.294 -5.664 1.00 2.52 C ATOM 1971 C PHE A 716 -0.370 -2.729 -5.281 1.00 1.35 C ATOM 1972 O PHE A 716 -1.454 -3.125 -4.877 1.00 71.53 O ATOM 1973 CB PHE A 716 0.119 -0.484 -4.396 1.00 61.10 C ATOM 1974 CG PHE A 716 0.389 0.969 -4.630 1.00 22.54 C ATOM 1975 CD1 PHE A 716 -0.648 1.868 -4.801 1.00 21.32 C ATOM 1976 CD2 PHE A 716 1.682 1.434 -4.673 1.00 12.14 C ATOM 1977 CE1 PHE A 716 -0.393 3.202 -5.012 1.00 34.35 C ATOM 1978 CE2 PHE A 716 1.942 2.764 -4.884 1.00 10.33 C ATOM 1979 CZ PHE A 716 0.901 3.650 -5.054 1.00 11.50 C ATOM 0 H PHE A 716 -2.220 -0.929 -5.652 1.00 1.44 H new ATOM 0 HA PHE A 716 0.625 -1.171 -6.373 1.00 2.52 H new ATOM 0 HB2 PHE A 716 -0.720 -0.577 -3.706 1.00 61.10 H new ATOM 0 HB3 PHE A 716 0.986 -0.926 -3.905 1.00 61.10 H new ATOM 0 HD1 PHE A 716 -1.669 1.518 -4.768 1.00 21.32 H new ATOM 0 HD2 PHE A 716 2.502 0.744 -4.539 1.00 12.14 H new ATOM 0 HE1 PHE A 716 -1.211 3.895 -5.144 1.00 34.35 H new ATOM 0 HE2 PHE A 716 2.962 3.116 -4.917 1.00 10.33 H new ATOM 0 HZ PHE A 716 1.105 4.697 -5.220 1.00 11.50 H new ATOM 1989 N ARG A 717 0.657 -3.506 -5.418 1.00 61.31 N ATOM 1990 CA ARG A 717 0.601 -4.873 -4.976 1.00 3.14 C ATOM 1991 C ARG A 717 1.373 -4.998 -3.704 1.00 14.24 C ATOM 1992 O ARG A 717 2.447 -4.434 -3.575 1.00 4.21 O ATOM 1993 CB ARG A 717 1.116 -5.857 -6.021 1.00 42.25 C ATOM 1994 CG ARG A 717 2.534 -5.623 -6.490 1.00 12.32 C ATOM 1995 CD ARG A 717 2.988 -6.718 -7.447 1.00 21.33 C ATOM 1996 NE ARG A 717 2.085 -6.868 -8.589 1.00 11.20 N ATOM 1997 CZ ARG A 717 2.427 -7.340 -9.795 1.00 13.30 C ATOM 1998 NH1 ARG A 717 3.671 -7.734 -10.035 1.00 1.32 N ATOM 1999 NH2 ARG A 717 1.513 -7.418 -10.759 1.00 65.33 N ATOM 0 H ARG A 717 1.546 -3.223 -5.831 1.00 61.31 H new ATOM 0 HA ARG A 717 -0.445 -5.133 -4.811 1.00 3.14 H new ATOM 0 HB2 ARG A 717 1.049 -6.865 -5.611 1.00 42.25 H new ATOM 0 HB3 ARG A 717 0.455 -5.821 -6.887 1.00 42.25 H new ATOM 0 HG2 ARG A 717 2.600 -4.654 -6.985 1.00 12.32 H new ATOM 0 HG3 ARG A 717 3.203 -5.588 -5.630 1.00 12.32 H new ATOM 0 HD2 ARG A 717 3.991 -6.489 -7.807 1.00 21.33 H new ATOM 0 HD3 ARG A 717 3.050 -7.664 -6.909 1.00 21.33 H new ATOM 0 HE ARG A 717 1.113 -6.590 -8.455 1.00 11.20 H new ATOM 0 HH11 ARG A 717 4.375 -7.679 -9.299 1.00 1.32 H new ATOM 0 HH12 ARG A 717 3.924 -8.092 -10.956 1.00 1.32 H new ATOM 0 HH21 ARG A 717 0.555 -7.119 -10.579 1.00 65.33 H new ATOM 0 HH22 ARG A 717 1.771 -7.777 -11.678 1.00 65.33 H new ATOM 2011 N TRP A 718 0.837 -5.699 -2.776 1.00 51.53 N ATOM 2012 CA TRP A 718 1.448 -5.821 -1.497 1.00 12.31 C ATOM 2013 C TRP A 718 1.733 -7.285 -1.227 1.00 4.02 C ATOM 2014 O TRP A 718 0.815 -8.095 -1.161 1.00 14.00 O ATOM 2015 CB TRP A 718 0.480 -5.276 -0.446 1.00 31.43 C ATOM 2016 CG TRP A 718 1.082 -5.015 0.897 1.00 70.41 C ATOM 2017 CD1 TRP A 718 1.663 -5.909 1.734 1.00 43.24 C ATOM 2018 CD2 TRP A 718 1.119 -3.761 1.564 1.00 22.33 C ATOM 2019 NE1 TRP A 718 2.080 -5.282 2.878 1.00 10.21 N ATOM 2020 CE2 TRP A 718 1.755 -3.963 2.794 1.00 32.02 C ATOM 2021 CE3 TRP A 718 0.682 -2.479 1.232 1.00 11.22 C ATOM 2022 CZ2 TRP A 718 1.963 -2.940 3.690 1.00 75.22 C ATOM 2023 CZ3 TRP A 718 0.888 -1.463 2.128 1.00 53.54 C ATOM 2024 CH2 TRP A 718 1.524 -1.699 3.342 1.00 45.11 C ATOM 0 H TRP A 718 -0.041 -6.208 -2.877 1.00 51.53 H new ATOM 0 HA TRP A 718 2.383 -5.261 -1.461 1.00 12.31 H new ATOM 0 HB2 TRP A 718 0.048 -4.348 -0.820 1.00 31.43 H new ATOM 0 HB3 TRP A 718 -0.340 -5.984 -0.328 1.00 31.43 H new ATOM 0 HD1 TRP A 718 1.780 -6.963 1.529 1.00 43.24 H new ATOM 0 HE1 TRP A 718 2.555 -5.729 3.662 1.00 10.21 H new ATOM 0 HE3 TRP A 718 0.191 -2.291 0.288 1.00 11.22 H new ATOM 0 HZ2 TRP A 718 2.456 -3.115 4.635 1.00 75.22 H new ATOM 0 HZ3 TRP A 718 0.552 -0.465 1.888 1.00 53.54 H new ATOM 0 HH2 TRP A 718 1.674 -0.877 4.026 1.00 45.11 H new ATOM 2035 N TYR A 719 2.984 -7.628 -1.100 1.00 43.00 N ATOM 2036 CA TYR A 719 3.349 -8.990 -0.783 1.00 53.32 C ATOM 2037 C TYR A 719 3.458 -9.142 0.705 1.00 71.15 C ATOM 2038 O TYR A 719 4.403 -8.653 1.315 1.00 31.31 O ATOM 2039 CB TYR A 719 4.658 -9.399 -1.453 1.00 35.24 C ATOM 2040 CG TYR A 719 4.593 -9.463 -2.958 1.00 32.33 C ATOM 2041 CD1 TYR A 719 4.148 -10.612 -3.595 1.00 42.41 C ATOM 2042 CD2 TYR A 719 4.975 -8.383 -3.743 1.00 2.40 C ATOM 2043 CE1 TYR A 719 4.086 -10.687 -4.970 1.00 21.03 C ATOM 2044 CE2 TYR A 719 4.915 -8.453 -5.120 1.00 74.42 C ATOM 2045 CZ TYR A 719 4.470 -9.608 -5.726 1.00 63.10 C ATOM 2046 OH TYR A 719 4.407 -9.675 -7.099 1.00 32.53 O ATOM 0 H TYR A 719 3.771 -6.988 -1.210 1.00 43.00 H new ATOM 0 HA TYR A 719 2.570 -9.649 -1.167 1.00 53.32 H new ATOM 0 HB2 TYR A 719 5.436 -8.692 -1.165 1.00 35.24 H new ATOM 0 HB3 TYR A 719 4.957 -10.376 -1.072 1.00 35.24 H new ATOM 0 HD1 TYR A 719 3.845 -11.463 -3.003 1.00 42.41 H new ATOM 0 HD2 TYR A 719 5.323 -7.477 -3.270 1.00 2.40 H new ATOM 0 HE1 TYR A 719 3.737 -11.590 -5.450 1.00 21.03 H new ATOM 0 HE2 TYR A 719 5.215 -7.607 -5.720 1.00 74.42 H new ATOM 0 HH TYR A 719 3.681 -10.278 -7.364 1.00 32.53 H new ATOM 2056 N THR A 720 2.476 -9.772 1.294 1.00 51.55 N ATOM 2057 CA THR A 720 2.440 -9.940 2.714 1.00 42.41 C ATOM 2058 C THR A 720 1.931 -11.320 3.080 1.00 21.22 C ATOM 2059 O THR A 720 1.046 -11.875 2.409 1.00 2.33 O ATOM 2060 CB THR A 720 1.591 -8.844 3.422 1.00 44.13 C ATOM 2061 OG1 THR A 720 1.639 -9.024 4.843 1.00 12.25 O ATOM 2062 CG2 THR A 720 0.139 -8.873 2.958 1.00 64.21 C ATOM 0 H THR A 720 1.683 -10.181 0.800 1.00 51.55 H new ATOM 0 HA THR A 720 3.465 -9.833 3.069 1.00 42.41 H new ATOM 0 HB THR A 720 2.017 -7.876 3.157 1.00 44.13 H new ATOM 0 HG1 THR A 720 2.150 -8.292 5.248 1.00 12.25 H new ATOM 0 HG21 THR A 720 -0.423 -8.094 3.473 1.00 64.21 H new ATOM 0 HG22 THR A 720 0.097 -8.700 1.883 1.00 64.21 H new ATOM 0 HG23 THR A 720 -0.296 -9.846 3.186 1.00 64.21 H new ATOM 2068 N SER A 721 2.506 -11.884 4.109 1.00 64.05 N ATOM 2069 CA SER A 721 2.091 -13.169 4.596 1.00 21.15 C ATOM 2070 C SER A 721 0.696 -13.043 5.250 1.00 23.15 C ATOM 2071 O SER A 721 -0.087 -14.002 5.268 1.00 73.41 O ATOM 2072 CB SER A 721 3.135 -13.697 5.590 1.00 63.24 C ATOM 2073 OG SER A 721 2.850 -15.010 6.028 1.00 55.31 O ATOM 0 H SER A 721 3.275 -11.464 4.632 1.00 64.05 H new ATOM 0 HA SER A 721 2.016 -13.881 3.774 1.00 21.15 H new ATOM 0 HB2 SER A 721 4.119 -13.679 5.122 1.00 63.24 H new ATOM 0 HB3 SER A 721 3.180 -13.032 6.452 1.00 63.24 H new ATOM 0 HG SER A 721 3.542 -15.303 6.657 1.00 55.31 H new ATOM 2079 N TYR A 722 0.368 -11.820 5.716 1.00 10.24 N ATOM 2080 CA TYR A 722 -0.896 -11.542 6.385 1.00 45.41 C ATOM 2081 C TYR A 722 -2.089 -11.627 5.445 1.00 41.04 C ATOM 2082 O TYR A 722 -3.224 -11.595 5.891 1.00 53.24 O ATOM 2083 CB TYR A 722 -0.875 -10.168 7.053 1.00 0.11 C ATOM 2084 CG TYR A 722 0.102 -10.034 8.210 1.00 44.23 C ATOM 2085 CD1 TYR A 722 1.447 -9.752 8.000 1.00 73.01 C ATOM 2086 CD2 TYR A 722 -0.337 -10.183 9.519 1.00 32.01 C ATOM 2087 CE1 TYR A 722 2.321 -9.625 9.062 1.00 50.53 C ATOM 2088 CE2 TYR A 722 0.531 -10.053 10.583 1.00 44.24 C ATOM 2089 CZ TYR A 722 1.858 -9.776 10.350 1.00 33.21 C ATOM 2090 OH TYR A 722 2.728 -9.641 11.413 1.00 33.54 O ATOM 0 H TYR A 722 0.978 -11.007 5.634 1.00 10.24 H new ATOM 0 HA TYR A 722 -1.011 -12.316 7.144 1.00 45.41 H new ATOM 0 HB2 TYR A 722 -0.630 -9.418 6.301 1.00 0.11 H new ATOM 0 HB3 TYR A 722 -1.878 -9.941 7.415 1.00 0.11 H new ATOM 0 HD1 TYR A 722 1.814 -9.630 6.992 1.00 73.01 H new ATOM 0 HD2 TYR A 722 -1.377 -10.405 9.707 1.00 32.01 H new ATOM 0 HE1 TYR A 722 3.364 -9.408 8.883 1.00 50.53 H new ATOM 0 HE2 TYR A 722 0.170 -10.168 11.594 1.00 44.24 H new ATOM 0 HH TYR A 722 2.242 -9.776 12.253 1.00 33.54 H new ATOM 2100 N ALA A 723 -1.834 -11.698 4.153 1.00 33.42 N ATOM 2101 CA ALA A 723 -2.906 -11.772 3.173 1.00 51.33 C ATOM 2102 C ALA A 723 -3.050 -13.181 2.631 1.00 32.40 C ATOM 2103 O ALA A 723 -3.856 -13.432 1.734 1.00 31.41 O ATOM 2104 CB ALA A 723 -2.639 -10.812 2.030 1.00 42.10 C ATOM 0 H ALA A 723 -0.895 -11.706 3.755 1.00 33.42 H new ATOM 0 HA ALA A 723 -3.835 -11.494 3.670 1.00 51.33 H new ATOM 0 HB1 ALA A 723 -3.449 -10.877 1.303 1.00 42.10 H new ATOM 0 HB2 ALA A 723 -2.579 -9.794 2.416 1.00 42.10 H new ATOM 0 HB3 ALA A 723 -1.697 -11.073 1.548 1.00 42.10 H new ATOM 2110 N CYS A 724 -2.294 -14.095 3.172 1.00 23.42 N ATOM 2111 CA CYS A 724 -2.306 -15.437 2.671 1.00 51.01 C ATOM 2112 C CYS A 724 -2.740 -16.408 3.778 1.00 65.00 C ATOM 2113 O CYS A 724 -2.343 -16.234 4.938 1.00 22.35 O ATOM 2114 CB CYS A 724 -0.915 -15.791 2.163 1.00 72.55 C ATOM 2115 SG CYS A 724 -0.825 -17.359 1.256 1.00 12.33 S ATOM 0 H CYS A 724 -1.664 -13.934 3.958 1.00 23.42 H new ATOM 0 HA CYS A 724 -3.018 -15.517 1.850 1.00 51.01 H new ATOM 0 HB2 CYS A 724 -0.564 -14.989 1.514 1.00 72.55 H new ATOM 0 HB3 CYS A 724 -0.232 -15.836 3.011 1.00 72.55 H new ATOM 2120 N PRO A 725 -3.585 -17.422 3.455 1.00 12.41 N ATOM 2121 CA PRO A 725 -4.046 -18.406 4.429 1.00 61.35 C ATOM 2122 C PRO A 725 -2.989 -19.479 4.700 1.00 60.33 C ATOM 2123 O PRO A 725 -2.933 -20.484 3.947 1.00 37.48 O ATOM 2124 CB PRO A 725 -5.289 -19.037 3.765 1.00 65.41 C ATOM 2125 CG PRO A 725 -5.469 -18.330 2.454 1.00 3.03 C ATOM 2126 CD PRO A 725 -4.158 -17.685 2.129 1.00 20.12 C ATOM 2127 OXT PRO A 725 -2.202 -19.325 5.650 1.00 37.48 O ATOM 0 HA PRO A 725 -4.258 -17.949 5.396 1.00 61.35 H new ATOM 0 HB2 PRO A 725 -5.148 -20.107 3.614 1.00 65.41 H new ATOM 0 HB3 PRO A 725 -6.170 -18.917 4.396 1.00 65.41 H new ATOM 0 HG2 PRO A 725 -5.759 -19.032 1.672 1.00 3.03 H new ATOM 0 HG3 PRO A 725 -6.261 -17.584 2.522 1.00 3.03 H new ATOM 0 HD2 PRO A 725 -3.521 -18.341 1.536 1.00 20.12 H new ATOM 0 HD3 PRO A 725 -4.290 -16.767 1.557 1.00 20.12 H new