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= -1.5! K(o=-3!,f=-4.1) USER MOD Set 1.3: A 715 ASN : amide:sc= -1.49! K(o=-3!,f=-4.9) USER MOD Set 2.1: A 644 GLN : amide:sc= -1.87! C(o=-1.8!,f=-0.072!) USER MOD Set 2.2: A 714 TYR OH : rot 30:sc= 0.0711 USER MOD Set 3.1: A 640 SER OG : rot 80:sc= 1.25 USER MOD Set 3.2: A 654 ASN : amide:sc= -0.602 K(o=0.65,f=-2.8) USER MOD Set 4.1: A 620 LYS NZ :NH3+ -123:sc= 0.0165 (180deg=0) USER MOD Set 4.2: A 621 TYR OH : rot 30:sc= 0.0149 USER MOD Set 5.1: A 587 THR OG1 : rot -138:sc= 1.47 USER MOD Set 5.2: A 598 GLN : amide:sc= 0.15 K(o=1.6,f=0.72) USER MOD Single : A 591 ASN : amide:sc= -1.95 K(o=-1.9,f=0) USER MOD Single : A 593 THR OG1 : rot 180:sc= 0 USER MOD Single : A 597 SER OG : rot 180:sc= 0.0137 USER MOD Single : A 602 SER OG : rot 180:sc= 0.0101 USER MOD Single : A 606 THR OG1 : rot 180:sc= 0.0256 USER MOD Single : A 609 THR OG1 : rot -45:sc= 1.1 USER MOD Single : A 610 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 611 LYS NZ :NH3+ -138:sc= -0.273! (180deg=-3.68!) USER MOD Single : A 614 TYR OH : rot 23:sc= -1.11 USER MOD Single : A 615 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 618 THR OG1 : rot -67:sc= 1.52 USER MOD Single : A 624 HIS : no HE2:sc= -1.18! C(o=-0.81!,f=-7.3!) USER MOD Single : A 626 ASN : amide:sc= 1.91 K(o=1.9,f=-7.3!) USER MOD Single : A 632 SER OG : rot 180:sc= 0 USER MOD Single : A 646 SER OG : rot -159:sc= -0.0367 USER MOD Single : A 648 SER OG : rot -130:sc= -0.81 USER MOD Single : A 651 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 652 SER OG : rot 174:sc= 0.224 USER MOD Single : A 658 SER OG : rot 180:sc= 0.00803 USER MOD Single : A 659 ASN : amide:sc= -2.77! C(o=-2.8!,f=-9.4!) USER MOD Single : A 661 LYS NZ :NH3+ 169:sc= 1.22 (180deg=1.09) 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 166:sc= -0.209 (180deg=-0.657) USER MOD Single : A 670 GLN : amide:sc= -1.97 K(o=-2,f=-0.27) USER MOD Single : A 672 THR OG1 : rot 180:sc= 0 USER MOD Single : A 673 TYR OH : rot -156:sc= 1.36 USER MOD Single : A 677 THR OG1 : rot 180:sc= -1.85! USER MOD Single : A 679 TYR OH : rot 175:sc= -2.79! USER MOD Single : A 685 THR OG1 : rot 36:sc= 0.135 USER MOD Single : A 689 THR OG1 : rot 77:sc= 0.889 USER MOD Single : A 706 TYR OH : rot 57:sc= 0.411 USER MOD Single : A 707 GLN : amide:sc= -1.11 X(o=-1.1,f=-1.2) 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 180:sc= -0.115 USER MOD Single : A 720 THR OG1 : rot 103:sc= 1.31 USER MOD Single : A 721 SER OG : rot 105:sc= 0.947 USER MOD Single : A 722 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 136 N THR A 587 -16.063 -9.371 -0.693 1.00 44.31 N ATOM 137 CA THR A 587 -16.390 -9.163 0.684 1.00 71.31 C ATOM 138 C THR A 587 -15.836 -7.813 1.122 1.00 4.14 C ATOM 139 O THR A 587 -14.754 -7.433 0.708 1.00 61.53 O ATOM 140 CB THR A 587 -15.711 -10.288 1.485 1.00 71.03 C ATOM 141 OG1 THR A 587 -16.239 -11.547 1.045 1.00 73.14 O ATOM 142 CG2 THR A 587 -15.879 -10.127 2.991 1.00 1.10 C ATOM 0 HA THR A 587 -17.468 -9.173 0.845 1.00 71.31 H new ATOM 0 HB THR A 587 -14.638 -10.240 1.297 1.00 71.03 H new ATOM 0 HG1 THR A 587 -16.395 -12.125 1.821 1.00 73.14 H new ATOM 0 HG21 THR A 587 -15.379 -10.950 3.503 1.00 1.10 H new ATOM 0 HG22 THR A 587 -15.438 -9.182 3.307 1.00 1.10 H new ATOM 0 HG23 THR A 587 -16.940 -10.135 3.242 1.00 1.10 H new ATOM 148 N GLU A 588 -16.575 -7.082 1.911 1.00 65.33 N ATOM 149 CA GLU A 588 -16.110 -5.798 2.364 1.00 41.24 C ATOM 150 C GLU A 588 -16.112 -5.743 3.877 1.00 14.01 C ATOM 151 O GLU A 588 -16.998 -6.301 4.521 1.00 55.30 O ATOM 152 CB GLU A 588 -16.984 -4.680 1.788 1.00 14.21 C ATOM 153 CG GLU A 588 -16.476 -3.277 2.077 1.00 44.14 C ATOM 154 CD GLU A 588 -17.364 -2.210 1.503 1.00 53.11 C ATOM 155 OE1 GLU A 588 -17.215 -1.881 0.309 1.00 1.43 O ATOM 156 OE2 GLU A 588 -18.220 -1.677 2.235 1.00 41.05 O ATOM 0 H GLU A 588 -17.498 -7.351 2.253 1.00 65.33 H new ATOM 0 HA GLU A 588 -15.088 -5.654 2.012 1.00 41.24 H new ATOM 0 HB2 GLU A 588 -17.058 -4.812 0.709 1.00 14.21 H new ATOM 0 HB3 GLU A 588 -17.992 -4.779 2.191 1.00 14.21 H new ATOM 0 HG2 GLU A 588 -16.398 -3.138 3.155 1.00 44.14 H new ATOM 0 HG3 GLU A 588 -15.472 -3.167 1.668 1.00 44.14 H new ATOM 163 N GLY A 589 -15.109 -5.113 4.425 1.00 65.14 N ATOM 164 CA GLY A 589 -15.017 -4.893 5.838 1.00 4.01 C ATOM 165 C GLY A 589 -15.219 -3.429 6.118 1.00 31.45 C ATOM 166 O GLY A 589 -15.615 -2.680 5.221 1.00 51.53 O ATOM 0 H GLY A 589 -14.324 -4.734 3.894 1.00 65.14 H new ATOM 0 HA2 GLY A 589 -15.769 -5.484 6.361 1.00 4.01 H new ATOM 0 HA3 GLY A 589 -14.044 -5.216 6.207 1.00 4.01 H new ATOM 170 N ASP A 590 -14.964 -2.997 7.314 1.00 61.10 N ATOM 171 CA ASP A 590 -15.129 -1.582 7.626 1.00 51.50 C ATOM 172 C ASP A 590 -13.864 -1.016 8.230 1.00 43.02 C ATOM 173 O ASP A 590 -13.487 0.120 7.963 1.00 42.21 O ATOM 174 CB ASP A 590 -16.331 -1.358 8.540 1.00 30.25 C ATOM 175 CG ASP A 590 -16.581 0.101 8.839 1.00 31.33 C ATOM 176 OD1 ASP A 590 -17.203 0.789 8.006 1.00 54.41 O ATOM 177 OD2 ASP A 590 -16.185 0.577 9.925 1.00 73.33 O ATOM 0 H ASP A 590 -14.646 -3.579 8.089 1.00 61.10 H new ATOM 0 HA ASP A 590 -15.322 -1.049 6.695 1.00 51.50 H new ATOM 0 HB2 ASP A 590 -17.219 -1.785 8.074 1.00 30.25 H new ATOM 0 HB3 ASP A 590 -16.173 -1.893 9.476 1.00 30.25 H new ATOM 182 N ASN A 591 -13.231 -1.804 9.056 1.00 22.43 N ATOM 183 CA ASN A 591 -11.940 -1.460 9.619 1.00 25.21 C ATOM 184 C ASN A 591 -10.887 -2.271 8.911 1.00 21.32 C ATOM 185 O ASN A 591 -11.214 -3.095 8.058 1.00 20.43 O ATOM 186 CB ASN A 591 -11.869 -1.728 11.139 1.00 12.20 C ATOM 187 CG ASN A 591 -12.694 -0.773 12.009 1.00 0.01 C ATOM 188 OD1 ASN A 591 -12.334 -0.511 13.150 1.00 62.43 O ATOM 189 ND2 ASN A 591 -13.781 -0.249 11.492 1.00 43.13 N ATOM 0 H ASN A 591 -13.592 -2.707 9.363 1.00 22.43 H new ATOM 0 HA ASN A 591 -11.777 -0.392 9.478 1.00 25.21 H new ATOM 0 HB2 ASN A 591 -12.204 -2.748 11.328 1.00 12.20 H new ATOM 0 HB3 ASN A 591 -10.827 -1.672 11.453 1.00 12.20 H new ATOM 0 HD21 ASN A 591 -14.349 0.394 12.043 1.00 43.13 H new ATOM 0 HD22 ASN A 591 -14.057 -0.485 10.539 1.00 43.13 H new ATOM 195 N CYS A 592 -9.637 -2.070 9.260 1.00 51.45 N ATOM 196 CA CYS A 592 -8.540 -2.788 8.660 1.00 33.03 C ATOM 197 C CYS A 592 -8.364 -4.226 9.173 1.00 43.54 C ATOM 198 O CYS A 592 -7.236 -4.741 9.310 1.00 41.35 O ATOM 199 CB CYS A 592 -7.291 -1.958 8.754 1.00 35.53 C ATOM 200 SG CYS A 592 -7.134 -1.017 10.305 1.00 54.14 S ATOM 0 H CYS A 592 -9.353 -1.399 9.973 1.00 51.45 H new ATOM 0 HA CYS A 592 -8.780 -2.937 7.607 1.00 33.03 H new ATOM 0 HB2 CYS A 592 -6.425 -2.612 8.650 1.00 35.53 H new ATOM 0 HB3 CYS A 592 -7.267 -1.262 7.916 1.00 35.53 H new ATOM 205 N THR A 593 -9.478 -4.873 9.381 1.00 12.24 N ATOM 206 CA THR A 593 -9.542 -6.265 9.650 1.00 34.41 C ATOM 207 C THR A 593 -10.565 -6.791 8.683 1.00 51.12 C ATOM 208 O THR A 593 -11.548 -6.096 8.402 1.00 15.23 O ATOM 209 CB THR A 593 -10.054 -6.523 11.087 1.00 72.12 C ATOM 210 OG1 THR A 593 -11.329 -5.860 11.274 1.00 21.42 O ATOM 211 CG2 THR A 593 -9.059 -6.021 12.116 1.00 40.13 C ATOM 0 H THR A 593 -10.392 -4.421 9.365 1.00 12.24 H new ATOM 0 HA THR A 593 -8.563 -6.735 9.553 1.00 34.41 H new ATOM 0 HB THR A 593 -10.174 -7.598 11.224 1.00 72.12 H new ATOM 0 HG1 THR A 593 -11.653 -6.025 12.184 1.00 21.42 H new ATOM 0 HG21 THR A 593 -9.443 -6.214 13.118 1.00 40.13 H new ATOM 0 HG22 THR A 593 -8.108 -6.538 11.985 1.00 40.13 H new ATOM 0 HG23 THR A 593 -8.910 -4.949 11.985 1.00 40.13 H new ATOM 217 N VAL A 594 -10.376 -7.947 8.167 1.00 53.31 N ATOM 218 CA VAL A 594 -11.346 -8.473 7.271 1.00 24.10 C ATOM 219 C VAL A 594 -11.742 -9.892 7.619 1.00 21.13 C ATOM 220 O VAL A 594 -10.893 -10.782 7.709 1.00 65.13 O ATOM 221 CB VAL A 594 -10.935 -8.312 5.769 1.00 33.31 C ATOM 222 CG1 VAL A 594 -9.659 -9.075 5.424 1.00 12.51 C ATOM 223 CG2 VAL A 594 -12.085 -8.686 4.841 1.00 3.50 C ATOM 0 H VAL A 594 -9.569 -8.545 8.344 1.00 53.31 H new ATOM 0 HA VAL A 594 -12.241 -7.865 7.401 1.00 24.10 H new ATOM 0 HB VAL A 594 -10.710 -7.257 5.614 1.00 33.31 H new ATOM 0 HG11 VAL A 594 -9.421 -8.928 4.371 1.00 12.51 H new ATOM 0 HG12 VAL A 594 -8.837 -8.705 6.037 1.00 12.51 H new ATOM 0 HG13 VAL A 594 -9.807 -10.137 5.618 1.00 12.51 H new ATOM 0 HG21 VAL A 594 -11.770 -8.564 3.804 1.00 3.50 H new ATOM 0 HG22 VAL A 594 -12.370 -9.724 5.014 1.00 3.50 H new ATOM 0 HG23 VAL A 594 -12.938 -8.038 5.040 1.00 3.50 H new ATOM 229 N PHE A 595 -12.997 -10.109 7.860 1.00 24.42 N ATOM 230 CA PHE A 595 -13.468 -11.446 8.037 1.00 51.41 C ATOM 231 C PHE A 595 -14.422 -11.784 6.941 1.00 50.52 C ATOM 232 O PHE A 595 -15.442 -11.105 6.740 1.00 42.40 O ATOM 233 CB PHE A 595 -14.062 -11.729 9.433 1.00 34.35 C ATOM 234 CG PHE A 595 -14.630 -13.136 9.552 1.00 13.02 C ATOM 235 CD1 PHE A 595 -13.898 -14.229 9.114 1.00 12.23 C ATOM 236 CD2 PHE A 595 -15.899 -13.353 10.057 1.00 4.32 C ATOM 237 CE1 PHE A 595 -14.403 -15.502 9.179 1.00 60.13 C ATOM 238 CE2 PHE A 595 -16.417 -14.635 10.125 1.00 53.42 C ATOM 239 CZ PHE A 595 -15.665 -15.711 9.683 1.00 75.44 C ATOM 0 H PHE A 595 -13.709 -9.383 7.938 1.00 24.42 H new ATOM 0 HA PHE A 595 -12.600 -12.103 7.980 1.00 51.41 H new ATOM 0 HB2 PHE A 595 -13.289 -11.588 10.188 1.00 34.35 H new ATOM 0 HB3 PHE A 595 -14.849 -11.004 9.643 1.00 34.35 H new ATOM 0 HD1 PHE A 595 -12.907 -14.074 8.712 1.00 12.23 H new ATOM 0 HD2 PHE A 595 -16.490 -12.517 10.401 1.00 4.32 H new ATOM 0 HE1 PHE A 595 -13.811 -16.338 8.835 1.00 60.13 H new ATOM 0 HE2 PHE A 595 -17.408 -14.796 10.523 1.00 53.42 H new ATOM 0 HZ PHE A 595 -16.069 -16.711 9.734 1.00 75.44 H new ATOM 249 N ASP A 596 -14.091 -12.816 6.240 1.00 41.42 N ATOM 250 CA ASP A 596 -14.839 -13.248 5.115 1.00 31.31 C ATOM 251 C ASP A 596 -15.509 -14.556 5.423 1.00 51.35 C ATOM 252 O ASP A 596 -14.842 -15.545 5.745 1.00 62.14 O ATOM 253 CB ASP A 596 -13.902 -13.409 3.948 1.00 54.11 C ATOM 254 CG ASP A 596 -14.621 -13.710 2.689 1.00 5.24 C ATOM 255 OD1 ASP A 596 -15.852 -13.547 2.651 1.00 20.11 O ATOM 256 OD2 ASP A 596 -13.981 -14.117 1.731 1.00 21.11 O ATOM 0 H ASP A 596 -13.274 -13.393 6.440 1.00 41.42 H new ATOM 0 HA ASP A 596 -15.607 -12.513 4.872 1.00 31.31 H new ATOM 0 HB2 ASP A 596 -13.321 -12.496 3.823 1.00 54.11 H new ATOM 0 HB3 ASP A 596 -13.194 -14.210 4.161 1.00 54.11 H new ATOM 261 N SER A 597 -16.808 -14.564 5.338 1.00 61.23 N ATOM 262 CA SER A 597 -17.590 -15.725 5.627 1.00 21.34 C ATOM 263 C SER A 597 -17.418 -16.821 4.572 1.00 35.31 C ATOM 264 O SER A 597 -17.480 -18.011 4.891 1.00 11.11 O ATOM 265 CB SER A 597 -19.047 -15.329 5.813 1.00 13.33 C ATOM 266 OG SER A 597 -19.496 -14.564 4.718 1.00 43.35 O ATOM 0 H SER A 597 -17.359 -13.751 5.062 1.00 61.23 H new ATOM 0 HA SER A 597 -17.228 -16.158 6.560 1.00 21.34 H new ATOM 0 HB2 SER A 597 -19.662 -16.223 5.916 1.00 13.33 H new ATOM 0 HB3 SER A 597 -19.159 -14.757 6.734 1.00 13.33 H new ATOM 0 HG SER A 597 -20.435 -14.319 4.853 1.00 43.35 H new ATOM 272 N GLN A 598 -17.170 -16.435 3.321 1.00 74.13 N ATOM 273 CA GLN A 598 -17.008 -17.412 2.273 1.00 64.44 C ATOM 274 C GLN A 598 -15.620 -18.028 2.337 1.00 71.31 C ATOM 275 O GLN A 598 -15.433 -19.202 2.006 1.00 3.05 O ATOM 276 CB GLN A 598 -17.224 -16.797 0.896 1.00 60.50 C ATOM 277 CG GLN A 598 -16.248 -15.710 0.583 1.00 5.03 C ATOM 278 CD GLN A 598 -16.375 -15.090 -0.764 1.00 44.02 C ATOM 279 OE1 GLN A 598 -16.796 -15.717 -1.735 1.00 44.43 O ATOM 280 NE2 GLN A 598 -15.994 -13.855 -0.837 1.00 41.43 N ATOM 0 H GLN A 598 -17.080 -15.464 3.022 1.00 74.13 H new ATOM 0 HA GLN A 598 -17.761 -18.185 2.427 1.00 64.44 H new ATOM 0 HB2 GLN A 598 -17.145 -17.577 0.139 1.00 60.50 H new ATOM 0 HB3 GLN A 598 -18.236 -16.397 0.837 1.00 60.50 H new ATOM 0 HG2 GLN A 598 -16.353 -14.927 1.334 1.00 5.03 H new ATOM 0 HG3 GLN A 598 -15.240 -16.113 0.682 1.00 5.03 H new ATOM 0 HE21 GLN A 598 -15.652 -13.377 -0.004 1.00 41.43 H new ATOM 0 HE22 GLN A 598 -16.036 -13.360 -1.728 1.00 41.43 H new ATOM 288 N ALA A 599 -14.637 -17.241 2.759 1.00 11.44 N ATOM 289 CA ALA A 599 -13.286 -17.740 2.824 1.00 4.15 C ATOM 290 C ALA A 599 -13.068 -18.464 4.133 1.00 22.52 C ATOM 291 O ALA A 599 -12.198 -19.330 4.251 1.00 50.11 O ATOM 292 CB ALA A 599 -12.315 -16.585 2.721 1.00 5.10 C ATOM 0 H ALA A 599 -14.755 -16.272 3.055 1.00 11.44 H new ATOM 0 HA ALA A 599 -13.120 -18.432 1.998 1.00 4.15 H new ATOM 0 HB1 ALA A 599 -11.294 -16.963 2.770 1.00 5.10 H new ATOM 0 HB2 ALA A 599 -12.465 -16.067 1.774 1.00 5.10 H new ATOM 0 HB3 ALA A 599 -12.485 -15.892 3.545 1.00 5.10 H new ATOM 298 N GLY A 600 -13.904 -18.128 5.100 1.00 13.34 N ATOM 299 CA GLY A 600 -13.884 -18.775 6.394 1.00 23.31 C ATOM 300 C GLY A 600 -12.703 -18.363 7.252 1.00 71.32 C ATOM 301 O GLY A 600 -12.397 -19.019 8.246 1.00 71.24 O ATOM 0 H GLY A 600 -14.613 -17.400 5.008 1.00 13.34 H new ATOM 0 HA2 GLY A 600 -14.808 -18.542 6.923 1.00 23.31 H new ATOM 0 HA3 GLY A 600 -13.862 -19.855 6.252 1.00 23.31 H new ATOM 305 N PHE A 601 -12.054 -17.269 6.896 1.00 13.02 N ATOM 306 CA PHE A 601 -10.897 -16.806 7.639 1.00 22.12 C ATOM 307 C PHE A 601 -10.929 -15.314 7.857 1.00 11.11 C ATOM 308 O PHE A 601 -11.454 -14.555 7.025 1.00 63.11 O ATOM 309 CB PHE A 601 -9.565 -17.221 6.980 1.00 21.33 C ATOM 310 CG PHE A 601 -9.286 -18.701 6.988 1.00 34.21 C ATOM 311 CD1 PHE A 601 -8.790 -19.314 8.126 1.00 42.23 C ATOM 312 CD2 PHE A 601 -9.506 -19.472 5.862 1.00 0.12 C ATOM 313 CE1 PHE A 601 -8.524 -20.668 8.143 1.00 14.33 C ATOM 314 CE2 PHE A 601 -9.244 -20.829 5.871 1.00 45.02 C ATOM 315 CZ PHE A 601 -8.750 -21.427 7.013 1.00 53.02 C ATOM 0 H PHE A 601 -12.308 -16.686 6.099 1.00 13.02 H new ATOM 0 HA PHE A 601 -10.952 -17.297 8.611 1.00 22.12 H new ATOM 0 HB2 PHE A 601 -9.563 -16.872 5.948 1.00 21.33 H new ATOM 0 HB3 PHE A 601 -8.749 -16.710 7.491 1.00 21.33 H new ATOM 0 HD1 PHE A 601 -8.609 -18.724 9.013 1.00 42.23 H new ATOM 0 HD2 PHE A 601 -9.887 -19.008 4.964 1.00 0.12 H new ATOM 0 HE1 PHE A 601 -8.140 -21.133 9.039 1.00 14.33 H new ATOM 0 HE2 PHE A 601 -9.425 -21.421 4.986 1.00 45.02 H new ATOM 0 HZ PHE A 601 -8.541 -22.487 7.022 1.00 53.02 H new ATOM 325 N SER A 602 -10.406 -14.911 8.981 1.00 63.24 N ATOM 326 CA SER A 602 -10.314 -13.536 9.368 1.00 34.33 C ATOM 327 C SER A 602 -8.857 -13.080 9.303 1.00 43.40 C ATOM 328 O SER A 602 -7.951 -13.806 9.745 1.00 34.42 O ATOM 329 CB SER A 602 -10.885 -13.398 10.773 1.00 12.23 C ATOM 330 OG SER A 602 -10.328 -14.388 11.637 1.00 40.53 O ATOM 0 H SER A 602 -10.020 -15.553 9.673 1.00 63.24 H new ATOM 0 HA SER A 602 -10.885 -12.901 8.691 1.00 34.33 H new ATOM 0 HB2 SER A 602 -10.670 -12.403 11.163 1.00 12.23 H new ATOM 0 HB3 SER A 602 -11.970 -13.501 10.743 1.00 12.23 H new ATOM 0 HG SER A 602 -10.703 -14.286 12.537 1.00 40.53 H new ATOM 336 N PHE A 603 -8.627 -11.909 8.751 1.00 13.33 N ATOM 337 CA PHE A 603 -7.290 -11.392 8.573 1.00 64.31 C ATOM 338 C PHE A 603 -7.180 -9.961 9.106 1.00 62.32 C ATOM 339 O PHE A 603 -7.894 -9.059 8.656 1.00 12.35 O ATOM 340 CB PHE A 603 -6.910 -11.417 7.070 1.00 74.23 C ATOM 341 CG PHE A 603 -6.889 -12.796 6.442 1.00 24.54 C ATOM 342 CD1 PHE A 603 -8.039 -13.367 5.913 1.00 23.44 C ATOM 343 CD2 PHE A 603 -5.714 -13.514 6.380 1.00 11.21 C ATOM 344 CE1 PHE A 603 -8.002 -14.623 5.341 1.00 44.22 C ATOM 345 CE2 PHE A 603 -5.675 -14.770 5.808 1.00 73.21 C ATOM 346 CZ PHE A 603 -6.820 -15.322 5.288 1.00 30.11 C ATOM 0 H PHE A 603 -9.363 -11.289 8.413 1.00 13.33 H new ATOM 0 HA PHE A 603 -6.603 -12.025 9.135 1.00 64.31 H new ATOM 0 HB2 PHE A 603 -7.616 -10.794 6.521 1.00 74.23 H new ATOM 0 HB3 PHE A 603 -5.926 -10.964 6.951 1.00 74.23 H new ATOM 0 HD1 PHE A 603 -8.971 -12.823 5.949 1.00 23.44 H new ATOM 0 HD2 PHE A 603 -4.809 -13.087 6.786 1.00 11.21 H new ATOM 0 HE1 PHE A 603 -8.904 -15.057 4.934 1.00 44.22 H new ATOM 0 HE2 PHE A 603 -4.745 -15.318 5.770 1.00 73.21 H new ATOM 0 HZ PHE A 603 -6.792 -16.304 4.838 1.00 30.11 H new ATOM 356 N ASP A 604 -6.296 -9.763 10.065 1.00 3.11 N ATOM 357 CA ASP A 604 -6.007 -8.435 10.595 1.00 11.22 C ATOM 358 C ASP A 604 -4.851 -7.897 9.831 1.00 15.51 C ATOM 359 O ASP A 604 -3.747 -8.447 9.897 1.00 3.05 O ATOM 360 CB ASP A 604 -5.595 -8.495 12.088 1.00 14.53 C ATOM 361 CG ASP A 604 -6.671 -8.998 13.029 1.00 72.14 C ATOM 362 OD1 ASP A 604 -6.941 -10.218 13.051 1.00 31.54 O ATOM 363 OD2 ASP A 604 -7.223 -8.197 13.798 1.00 33.31 O ATOM 0 H ASP A 604 -5.757 -10.512 10.500 1.00 3.11 H new ATOM 0 HA ASP A 604 -6.899 -7.815 10.504 1.00 11.22 H new ATOM 0 HB2 ASP A 604 -4.721 -9.139 12.183 1.00 14.53 H new ATOM 0 HB3 ASP A 604 -5.292 -7.497 12.406 1.00 14.53 H new ATOM 368 N LEU A 605 -5.069 -6.842 9.101 1.00 32.12 N ATOM 369 CA LEU A 605 -3.985 -6.219 8.366 1.00 12.33 C ATOM 370 C LEU A 605 -3.591 -4.953 9.076 1.00 73.54 C ATOM 371 O LEU A 605 -2.897 -4.097 8.565 1.00 35.01 O ATOM 372 CB LEU A 605 -4.344 -5.990 6.894 1.00 13.41 C ATOM 373 CG LEU A 605 -4.678 -7.266 6.089 1.00 50.04 C ATOM 374 CD1 LEU A 605 -4.853 -6.952 4.626 1.00 35.24 C ATOM 375 CD2 LEU A 605 -3.612 -8.336 6.269 1.00 42.00 C ATOM 0 H LEU A 605 -5.977 -6.391 8.993 1.00 32.12 H new ATOM 0 HA LEU A 605 -3.126 -6.889 8.344 1.00 12.33 H new ATOM 0 HB2 LEU A 605 -5.199 -5.316 6.846 1.00 13.41 H new ATOM 0 HB3 LEU A 605 -3.511 -5.482 6.409 1.00 13.41 H new ATOM 0 HG LEU A 605 -5.619 -7.655 6.479 1.00 50.04 H new ATOM 0 HD11 LEU A 605 -5.087 -7.868 4.083 1.00 35.24 H new ATOM 0 HD12 LEU A 605 -5.667 -6.238 4.502 1.00 35.24 H new ATOM 0 HD13 LEU A 605 -3.931 -6.523 4.233 1.00 35.24 H new ATOM 0 HD21 LEU A 605 -3.881 -9.219 5.688 1.00 42.00 H new ATOM 0 HD22 LEU A 605 -2.651 -7.954 5.925 1.00 42.00 H new ATOM 0 HD23 LEU A 605 -3.539 -8.604 7.323 1.00 42.00 H new ATOM 383 N THR A 606 -4.030 -4.911 10.290 1.00 64.11 N ATOM 384 CA THR A 606 -3.788 -3.901 11.237 1.00 35.01 C ATOM 385 C THR A 606 -2.253 -3.779 11.578 1.00 62.43 C ATOM 386 O THR A 606 -1.749 -2.679 11.699 1.00 0.14 O ATOM 387 CB THR A 606 -4.601 -4.279 12.467 1.00 33.05 C ATOM 388 OG1 THR A 606 -5.945 -4.577 12.037 1.00 12.03 O ATOM 389 CG2 THR A 606 -4.661 -3.165 13.432 1.00 30.23 C ATOM 0 H THR A 606 -4.618 -5.654 10.667 1.00 64.11 H new ATOM 0 HA THR A 606 -4.081 -2.924 10.852 1.00 35.01 H new ATOM 0 HB THR A 606 -4.131 -5.134 12.952 1.00 33.05 H new ATOM 0 HG1 THR A 606 -6.489 -4.826 12.813 1.00 12.03 H new ATOM 0 HG21 THR A 606 -5.248 -3.466 14.299 1.00 30.23 H new ATOM 0 HG22 THR A 606 -3.652 -2.904 13.750 1.00 30.23 H new ATOM 0 HG23 THR A 606 -5.127 -2.300 12.961 1.00 30.23 H new ATOM 395 N PRO A 607 -1.484 -4.921 11.755 1.00 23.52 N ATOM 396 CA PRO A 607 -0.013 -4.861 11.940 1.00 35.00 C ATOM 397 C PRO A 607 0.701 -4.208 10.742 1.00 44.34 C ATOM 398 O PRO A 607 1.840 -3.758 10.850 1.00 2.02 O ATOM 399 CB PRO A 607 0.410 -6.338 12.065 1.00 41.44 C ATOM 400 CG PRO A 607 -0.749 -7.124 11.560 1.00 71.05 C ATOM 401 CD PRO A 607 -1.966 -6.317 11.880 1.00 31.15 C ATOM 0 HA PRO A 607 0.254 -4.255 12.806 1.00 35.00 H new ATOM 0 HB2 PRO A 607 1.307 -6.541 11.480 1.00 41.44 H new ATOM 0 HB3 PRO A 607 0.639 -6.595 13.099 1.00 41.44 H new ATOM 0 HG2 PRO A 607 -0.666 -7.296 10.487 1.00 71.05 H new ATOM 0 HG3 PRO A 607 -0.794 -8.103 12.037 1.00 71.05 H new ATOM 0 HD2 PRO A 607 -2.782 -6.526 11.188 1.00 31.15 H new ATOM 0 HD3 PRO A 607 -2.337 -6.527 12.883 1.00 31.15 H new ATOM 409 N LEU A 608 0.019 -4.178 9.604 1.00 40.04 N ATOM 410 CA LEU A 608 0.549 -3.594 8.380 1.00 50.32 C ATOM 411 C LEU A 608 0.425 -2.073 8.404 1.00 52.11 C ATOM 412 O LEU A 608 1.028 -1.384 7.598 1.00 63.45 O ATOM 413 CB LEU A 608 -0.157 -4.170 7.126 1.00 42.40 C ATOM 414 CG LEU A 608 0.147 -5.633 6.710 1.00 64.12 C ATOM 415 CD1 LEU A 608 -0.256 -6.636 7.772 1.00 4.22 C ATOM 416 CD2 LEU A 608 -0.541 -5.951 5.396 1.00 53.43 C ATOM 0 H LEU A 608 -0.922 -4.560 9.504 1.00 40.04 H new ATOM 0 HA LEU A 608 1.605 -3.857 8.324 1.00 50.32 H new ATOM 0 HB2 LEU A 608 -1.232 -4.087 7.284 1.00 42.40 H new ATOM 0 HB3 LEU A 608 0.091 -3.527 6.282 1.00 42.40 H new ATOM 0 HG LEU A 608 1.227 -5.718 6.589 1.00 64.12 H new ATOM 0 HD11 LEU A 608 -0.021 -7.644 7.429 1.00 4.22 H new ATOM 0 HD12 LEU A 608 0.289 -6.430 8.693 1.00 4.22 H new ATOM 0 HD13 LEU A 608 -1.327 -6.557 7.959 1.00 4.22 H new ATOM 0 HD21 LEU A 608 -0.323 -6.980 5.111 1.00 53.43 H new ATOM 0 HD22 LEU A 608 -1.618 -5.827 5.510 1.00 53.43 H new ATOM 0 HD23 LEU A 608 -0.177 -5.275 4.622 1.00 53.43 H new ATOM 424 N THR A 609 -0.365 -1.580 9.321 1.00 5.34 N ATOM 425 CA THR A 609 -0.575 -0.164 9.505 1.00 63.33 C ATOM 426 C THR A 609 0.618 0.460 10.221 1.00 22.41 C ATOM 427 O THR A 609 1.036 -0.007 11.288 1.00 31.03 O ATOM 428 CB THR A 609 -1.862 0.062 10.324 1.00 53.01 C ATOM 429 OG1 THR A 609 -2.956 -0.607 9.671 1.00 13.52 O ATOM 430 CG2 THR A 609 -2.188 1.540 10.443 1.00 23.41 C ATOM 0 H THR A 609 -0.891 -2.160 9.974 1.00 5.34 H new ATOM 0 HA THR A 609 -0.679 0.311 8.530 1.00 63.33 H new ATOM 0 HB THR A 609 -1.707 -0.338 11.326 1.00 53.01 H new ATOM 0 HG1 THR A 609 -2.926 -0.421 8.709 1.00 13.52 H new ATOM 0 HG21 THR A 609 -3.101 1.666 11.026 1.00 23.41 H new ATOM 0 HG22 THR A 609 -1.366 2.055 10.940 1.00 23.41 H new ATOM 0 HG23 THR A 609 -2.332 1.962 9.448 1.00 23.41 H new ATOM 436 N LYS A 610 1.169 1.492 9.633 1.00 34.54 N ATOM 437 CA LYS A 610 2.284 2.183 10.208 1.00 40.22 C ATOM 438 C LYS A 610 2.055 3.678 10.161 1.00 42.43 C ATOM 439 O LYS A 610 1.518 4.187 9.201 1.00 32.13 O ATOM 440 CB LYS A 610 3.580 1.843 9.464 1.00 53.24 C ATOM 441 CG LYS A 610 3.995 0.389 9.544 1.00 23.23 C ATOM 442 CD LYS A 610 5.358 0.162 8.916 1.00 4.15 C ATOM 443 CE LYS A 610 5.798 -1.282 9.086 1.00 43.02 C ATOM 444 NZ LYS A 610 7.139 -1.527 8.530 1.00 3.12 N ATOM 0 H LYS A 610 0.853 1.873 8.741 1.00 34.54 H new ATOM 0 HA LYS A 610 2.379 1.862 11.245 1.00 40.22 H new ATOM 0 HB2 LYS A 610 3.463 2.116 8.415 1.00 53.24 H new ATOM 0 HB3 LYS A 610 4.385 2.459 9.865 1.00 53.24 H new ATOM 0 HG2 LYS A 610 4.017 0.073 10.587 1.00 23.23 H new ATOM 0 HG3 LYS A 610 3.253 -0.230 9.039 1.00 23.23 H new ATOM 0 HD2 LYS A 610 5.321 0.413 7.856 1.00 4.15 H new ATOM 0 HD3 LYS A 610 6.090 0.826 9.375 1.00 4.15 H new ATOM 0 HE2 LYS A 610 5.794 -1.538 10.145 1.00 43.02 H new ATOM 0 HE3 LYS A 610 5.079 -1.939 8.597 1.00 43.02 H new ATOM 0 HZ1 LYS A 610 7.396 -2.525 8.669 1.00 3.12 H new ATOM 0 HZ2 LYS A 610 7.138 -1.308 7.513 1.00 3.12 H new ATOM 0 HZ3 LYS A 610 7.832 -0.921 9.014 1.00 3.12 H new ATOM 458 N LYS A 611 2.493 4.376 11.186 1.00 62.24 N ATOM 459 CA LYS A 611 2.363 5.825 11.244 1.00 13.53 C ATOM 460 C LYS A 611 3.253 6.426 10.192 1.00 71.24 C ATOM 461 O LYS A 611 2.863 7.304 9.431 1.00 22.01 O ATOM 462 CB LYS A 611 2.852 6.306 12.594 1.00 1.40 C ATOM 463 CG LYS A 611 2.637 7.788 12.827 1.00 51.12 C ATOM 464 CD LYS A 611 3.184 8.282 14.168 1.00 44.32 C ATOM 465 CE LYS A 611 4.729 8.279 14.264 1.00 32.04 C ATOM 466 NZ LYS A 611 5.377 6.927 14.264 1.00 64.31 N ATOM 0 H LYS A 611 2.947 3.963 12.001 1.00 62.24 H new ATOM 0 HA LYS A 611 1.323 6.113 11.087 1.00 13.53 H new ATOM 0 HB2 LYS A 611 2.340 5.746 13.377 1.00 1.40 H new ATOM 0 HB3 LYS A 611 3.915 6.083 12.686 1.00 1.40 H new ATOM 0 HG2 LYS A 611 3.113 8.347 12.022 1.00 51.12 H new ATOM 0 HG3 LYS A 611 1.570 8.004 12.777 1.00 51.12 H new ATOM 0 HD2 LYS A 611 2.822 9.295 14.344 1.00 44.32 H new ATOM 0 HD3 LYS A 611 2.781 7.657 14.965 1.00 44.32 H new ATOM 0 HE2 LYS A 611 5.128 8.853 13.428 1.00 32.04 H new ATOM 0 HE3 LYS A 611 5.019 8.801 15.176 1.00 32.04 H new ATOM 0 HZ1 LYS A 611 6.142 6.909 14.969 1.00 64.31 H new ATOM 0 HZ2 LYS A 611 4.669 6.203 14.502 1.00 64.31 H new ATOM 0 HZ3 LYS A 611 5.770 6.730 13.321 1.00 64.31 H new ATOM 480 N ASP A 612 4.435 5.880 10.133 1.00 42.43 N ATOM 481 CA ASP A 612 5.469 6.304 9.210 1.00 2.35 C ATOM 482 C ASP A 612 5.143 5.835 7.815 1.00 21.14 C ATOM 483 O ASP A 612 5.735 6.305 6.819 1.00 64.22 O ATOM 484 CB ASP A 612 6.801 5.750 9.673 1.00 71.44 C ATOM 485 CG ASP A 612 7.218 6.317 11.002 1.00 32.34 C ATOM 486 OD1 ASP A 612 6.640 5.922 12.046 1.00 43.03 O ATOM 487 OD2 ASP A 612 8.123 7.185 11.035 1.00 32.44 O ATOM 0 H ASP A 612 4.720 5.109 10.737 1.00 42.43 H new ATOM 0 HA ASP A 612 5.526 7.392 9.191 1.00 2.35 H new ATOM 0 HB2 ASP A 612 6.736 4.664 9.747 1.00 71.44 H new ATOM 0 HB3 ASP A 612 7.565 5.974 8.928 1.00 71.44 H new ATOM 492 N ALA A 613 4.202 4.896 7.756 1.00 24.41 N ATOM 493 CA ALA A 613 3.652 4.365 6.532 1.00 70.32 C ATOM 494 C ALA A 613 4.700 3.693 5.653 1.00 33.15 C ATOM 495 O ALA A 613 5.814 3.392 6.087 1.00 24.14 O ATOM 496 CB ALA A 613 2.941 5.469 5.787 1.00 72.52 C ATOM 0 H ALA A 613 3.794 4.476 8.592 1.00 24.41 H new ATOM 0 HA ALA A 613 2.941 3.582 6.796 1.00 70.32 H new ATOM 0 HB1 ALA A 613 2.524 5.073 4.861 1.00 72.52 H new ATOM 0 HB2 ALA A 613 2.137 5.867 6.406 1.00 72.52 H new ATOM 0 HB3 ALA A 613 3.648 6.265 5.555 1.00 72.52 H new ATOM 502 N TYR A 614 4.311 3.416 4.447 1.00 22.13 N ATOM 503 CA TYR A 614 5.153 2.796 3.471 1.00 64.24 C ATOM 504 C TYR A 614 5.390 3.761 2.339 1.00 30.01 C ATOM 505 O TYR A 614 4.495 4.534 1.980 1.00 34.32 O ATOM 506 CB TYR A 614 4.474 1.528 2.942 1.00 44.42 C ATOM 507 CG TYR A 614 4.319 0.429 3.980 1.00 41.11 C ATOM 508 CD1 TYR A 614 3.466 0.573 5.074 1.00 3.25 C ATOM 509 CD2 TYR A 614 5.039 -0.751 3.871 1.00 50.44 C ATOM 510 CE1 TYR A 614 3.340 -0.406 5.998 1.00 24.13 C ATOM 511 CE2 TYR A 614 4.912 -1.745 4.809 1.00 74.34 C ATOM 512 CZ TYR A 614 4.060 -1.565 5.872 1.00 24.32 C ATOM 513 OH TYR A 614 3.929 -2.539 6.815 1.00 13.23 O ATOM 0 H TYR A 614 3.372 3.621 4.105 1.00 22.13 H new ATOM 0 HA TYR A 614 6.107 2.527 3.923 1.00 64.24 H new ATOM 0 HB2 TYR A 614 3.489 1.790 2.556 1.00 44.42 H new ATOM 0 HB3 TYR A 614 5.053 1.142 2.103 1.00 44.42 H new ATOM 0 HD1 TYR A 614 2.896 1.483 5.185 1.00 3.25 H new ATOM 0 HD2 TYR A 614 5.710 -0.890 3.036 1.00 50.44 H new ATOM 0 HE1 TYR A 614 2.671 -0.274 6.836 1.00 24.13 H new ATOM 0 HE2 TYR A 614 5.477 -2.661 4.712 1.00 74.34 H new ATOM 0 HH TYR A 614 3.072 -2.432 7.279 1.00 13.23 H new ATOM 523 N LYS A 615 6.572 3.748 1.800 1.00 5.02 N ATOM 524 CA LYS A 615 6.889 4.587 0.687 1.00 11.42 C ATOM 525 C LYS A 615 7.458 3.751 -0.428 1.00 74.42 C ATOM 526 O LYS A 615 8.357 2.936 -0.211 1.00 73.14 O ATOM 527 CB LYS A 615 7.904 5.682 1.056 1.00 53.41 C ATOM 528 CG LYS A 615 8.263 6.605 -0.096 1.00 12.04 C ATOM 529 CD LYS A 615 9.567 7.369 0.171 1.00 34.42 C ATOM 530 CE LYS A 615 9.564 8.196 1.449 1.00 34.32 C ATOM 531 NZ LYS A 615 10.857 8.886 1.662 1.00 21.25 N ATOM 0 H LYS A 615 7.340 3.157 2.119 1.00 5.02 H new ATOM 0 HA LYS A 615 5.966 5.074 0.373 1.00 11.42 H new ATOM 0 HB2 LYS A 615 7.498 6.278 1.873 1.00 53.41 H new ATOM 0 HB3 LYS A 615 8.814 5.210 1.427 1.00 53.41 H new ATOM 0 HG2 LYS A 615 8.364 6.022 -1.011 1.00 12.04 H new ATOM 0 HG3 LYS A 615 7.452 7.315 -0.259 1.00 12.04 H new ATOM 0 HD2 LYS A 615 10.389 6.654 0.218 1.00 34.42 H new ATOM 0 HD3 LYS A 615 9.766 8.029 -0.673 1.00 34.42 H new ATOM 0 HE2 LYS A 615 8.762 8.933 1.403 1.00 34.32 H new ATOM 0 HE3 LYS A 615 9.353 7.549 2.300 1.00 34.32 H new ATOM 0 HZ1 LYS A 615 10.815 9.438 2.542 1.00 21.25 H new ATOM 0 HZ2 LYS A 615 11.619 8.182 1.731 1.00 21.25 H new ATOM 0 HZ3 LYS A 615 11.046 9.523 0.862 1.00 21.25 H new ATOM 545 N VAL A 616 6.921 3.928 -1.578 1.00 55.44 N ATOM 546 CA VAL A 616 7.430 3.321 -2.766 1.00 64.14 C ATOM 547 C VAL A 616 8.168 4.417 -3.490 1.00 61.40 C ATOM 548 O VAL A 616 7.643 5.513 -3.632 1.00 50.34 O ATOM 549 CB VAL A 616 6.296 2.807 -3.679 1.00 24.14 C ATOM 550 CG1 VAL A 616 6.853 2.077 -4.903 1.00 1.23 C ATOM 551 CG2 VAL A 616 5.311 1.932 -2.915 1.00 73.20 C ATOM 0 H VAL A 616 6.097 4.510 -1.730 1.00 55.44 H new ATOM 0 HA VAL A 616 8.057 2.466 -2.516 1.00 64.14 H new ATOM 0 HB VAL A 616 5.748 3.679 -4.035 1.00 24.14 H new ATOM 0 HG11 VAL A 616 6.029 1.728 -5.525 1.00 1.23 H new ATOM 0 HG12 VAL A 616 7.479 2.758 -5.479 1.00 1.23 H new ATOM 0 HG13 VAL A 616 7.449 1.224 -4.578 1.00 1.23 H new ATOM 0 HG21 VAL A 616 4.528 1.590 -3.591 1.00 73.20 H new ATOM 0 HG22 VAL A 616 5.835 1.071 -2.501 1.00 73.20 H new ATOM 0 HG23 VAL A 616 4.864 2.509 -2.105 1.00 73.20 H new ATOM 557 N GLU A 617 9.337 4.153 -3.932 1.00 53.40 N ATOM 558 CA GLU A 617 10.137 5.180 -4.559 1.00 14.14 C ATOM 559 C GLU A 617 10.334 4.854 -6.007 1.00 62.22 C ATOM 560 O GLU A 617 10.743 3.740 -6.341 1.00 55.24 O ATOM 561 CB GLU A 617 11.491 5.288 -3.862 1.00 55.41 C ATOM 562 CG GLU A 617 11.404 5.589 -2.379 1.00 43.42 C ATOM 563 CD GLU A 617 12.755 5.662 -1.734 1.00 0.44 C ATOM 564 OE1 GLU A 617 13.321 4.598 -1.398 1.00 21.33 O ATOM 565 OE2 GLU A 617 13.281 6.771 -1.554 1.00 51.01 O ATOM 0 H GLU A 617 9.780 3.236 -3.880 1.00 53.40 H new ATOM 0 HA GLU A 617 9.619 6.135 -4.474 1.00 14.14 H new ATOM 0 HB2 GLU A 617 12.034 4.353 -4.000 1.00 55.41 H new ATOM 0 HB3 GLU A 617 12.075 6.070 -4.347 1.00 55.41 H new ATOM 0 HG2 GLU A 617 10.882 6.535 -2.232 1.00 43.42 H new ATOM 0 HG3 GLU A 617 10.810 4.818 -1.888 1.00 43.42 H new ATOM 572 N THR A 618 10.042 5.796 -6.877 1.00 4.23 N ATOM 573 CA THR A 618 10.199 5.553 -8.263 1.00 3.22 C ATOM 574 C THR A 618 11.160 6.595 -8.791 1.00 41.42 C ATOM 575 O THR A 618 11.818 7.296 -7.983 1.00 14.21 O ATOM 576 CB THR A 618 8.831 5.594 -9.031 1.00 11.22 C ATOM 577 OG1 THR A 618 8.300 6.919 -9.059 1.00 41.32 O ATOM 578 CG2 THR A 618 7.803 4.695 -8.349 1.00 30.21 C ATOM 0 H THR A 618 9.698 6.725 -6.635 1.00 4.23 H new ATOM 0 HA THR A 618 10.592 4.549 -8.422 1.00 3.22 H new ATOM 0 HB THR A 618 9.023 5.247 -10.046 1.00 11.22 H new ATOM 0 HG1 THR A 618 8.051 7.191 -8.151 1.00 41.32 H new ATOM 0 HG21 THR A 618 6.862 4.738 -8.897 1.00 30.21 H new ATOM 0 HG22 THR A 618 8.169 3.668 -8.336 1.00 30.21 H new ATOM 0 HG23 THR A 618 7.643 5.036 -7.326 1.00 30.21 H new ATOM 584 N ASP A 619 11.249 6.726 -10.094 1.00 31.31 N ATOM 585 CA ASP A 619 12.189 7.652 -10.704 1.00 54.01 C ATOM 586 C ASP A 619 11.924 9.062 -10.286 1.00 15.33 C ATOM 587 O ASP A 619 12.841 9.791 -9.928 1.00 12.55 O ATOM 588 CB ASP A 619 12.194 7.558 -12.234 1.00 11.11 C ATOM 589 CG ASP A 619 12.780 6.269 -12.758 1.00 5.21 C ATOM 590 OD1 ASP A 619 14.017 6.168 -12.871 1.00 34.15 O ATOM 591 OD2 ASP A 619 12.010 5.331 -13.066 1.00 73.20 O ATOM 0 H ASP A 619 10.681 6.202 -10.760 1.00 31.31 H new ATOM 0 HA ASP A 619 13.175 7.357 -10.345 1.00 54.01 H new ATOM 0 HB2 ASP A 619 11.172 7.658 -12.599 1.00 11.11 H new ATOM 0 HB3 ASP A 619 12.761 8.396 -12.639 1.00 11.11 H new ATOM 596 N LYS A 620 10.678 9.458 -10.307 1.00 34.10 N ATOM 597 CA LYS A 620 10.365 10.820 -9.966 1.00 13.31 C ATOM 598 C LYS A 620 9.350 10.938 -8.856 1.00 52.02 C ATOM 599 O LYS A 620 9.201 12.007 -8.260 1.00 31.04 O ATOM 600 CB LYS A 620 9.864 11.593 -11.181 1.00 65.01 C ATOM 601 CG LYS A 620 10.811 11.639 -12.375 1.00 71.42 C ATOM 602 CD LYS A 620 10.246 12.525 -13.487 1.00 70.04 C ATOM 603 CE LYS A 620 8.906 12.011 -14.004 1.00 41.34 C ATOM 604 NZ LYS A 620 8.317 12.915 -15.012 1.00 52.32 N ATOM 0 H LYS A 620 9.880 8.872 -10.551 1.00 34.10 H new ATOM 0 HA LYS A 620 11.300 11.252 -9.610 1.00 13.31 H new ATOM 0 HB2 LYS A 620 8.922 11.152 -11.506 1.00 65.01 H new ATOM 0 HB3 LYS A 620 9.648 12.616 -10.873 1.00 65.01 H new ATOM 0 HG2 LYS A 620 11.782 12.020 -12.059 1.00 71.42 H new ATOM 0 HG3 LYS A 620 10.972 10.630 -12.755 1.00 71.42 H new ATOM 0 HD2 LYS A 620 10.124 13.542 -13.113 1.00 70.04 H new ATOM 0 HD3 LYS A 620 10.958 12.571 -14.311 1.00 70.04 H new ATOM 0 HE2 LYS A 620 9.041 11.021 -14.440 1.00 41.34 H new ATOM 0 HE3 LYS A 620 8.214 11.899 -13.169 1.00 41.34 H new ATOM 0 HZ1 LYS A 620 7.371 13.213 -14.700 1.00 52.32 H new ATOM 0 HZ2 LYS A 620 8.924 13.752 -15.125 1.00 52.32 H new ATOM 0 HZ3 LYS A 620 8.241 12.418 -15.922 1.00 52.32 H new ATOM 618 N TYR A 621 8.656 9.893 -8.564 1.00 54.45 N ATOM 619 CA TYR A 621 7.586 10.010 -7.613 1.00 31.11 C ATOM 620 C TYR A 621 7.751 9.025 -6.497 1.00 74.41 C ATOM 621 O TYR A 621 8.254 7.929 -6.701 1.00 14.42 O ATOM 622 CB TYR A 621 6.245 9.773 -8.335 1.00 12.34 C ATOM 623 CG TYR A 621 6.088 10.644 -9.563 1.00 70.51 C ATOM 624 CD1 TYR A 621 5.978 12.019 -9.452 1.00 2.35 C ATOM 625 CD2 TYR A 621 6.112 10.092 -10.832 1.00 40.13 C ATOM 626 CE1 TYR A 621 5.889 12.823 -10.578 1.00 42.51 C ATOM 627 CE2 TYR A 621 6.028 10.885 -11.957 1.00 60.21 C ATOM 628 CZ TYR A 621 5.920 12.248 -11.824 1.00 3.51 C ATOM 629 OH TYR A 621 5.844 13.037 -12.946 1.00 65.34 O ATOM 0 H TYR A 621 8.799 8.962 -8.956 1.00 54.45 H new ATOM 0 HA TYR A 621 7.603 11.011 -7.181 1.00 31.11 H new ATOM 0 HB2 TYR A 621 6.172 8.725 -8.625 1.00 12.34 H new ATOM 0 HB3 TYR A 621 5.424 9.971 -7.645 1.00 12.34 H new ATOM 0 HD1 TYR A 621 5.961 12.473 -8.472 1.00 2.35 H new ATOM 0 HD2 TYR A 621 6.198 9.021 -10.943 1.00 40.13 H new ATOM 0 HE1 TYR A 621 5.796 13.894 -10.475 1.00 42.51 H new ATOM 0 HE2 TYR A 621 6.047 10.436 -12.939 1.00 60.21 H new ATOM 0 HH TYR A 621 6.239 13.914 -12.757 1.00 65.34 H new ATOM 639 N GLU A 622 7.380 9.405 -5.336 1.00 53.44 N ATOM 640 CA GLU A 622 7.319 8.475 -4.274 1.00 14.55 C ATOM 641 C GLU A 622 5.880 8.320 -3.977 1.00 30.55 C ATOM 642 O GLU A 622 5.109 9.284 -4.098 1.00 45.23 O ATOM 643 CB GLU A 622 8.045 8.923 -2.981 1.00 3.00 C ATOM 644 CG GLU A 622 7.387 10.092 -2.266 1.00 4.22 C ATOM 645 CD GLU A 622 7.935 10.339 -0.871 1.00 75.54 C ATOM 646 OE1 GLU A 622 8.997 10.972 -0.739 1.00 44.41 O ATOM 647 OE2 GLU A 622 7.282 9.910 0.131 1.00 1.23 O ATOM 0 H GLU A 622 7.112 10.359 -5.094 1.00 53.44 H new ATOM 0 HA GLU A 622 7.822 7.559 -4.583 1.00 14.55 H new ATOM 0 HB2 GLU A 622 8.098 8.077 -2.296 1.00 3.00 H new ATOM 0 HB3 GLU A 622 9.071 9.196 -3.230 1.00 3.00 H new ATOM 0 HG2 GLU A 622 7.519 10.994 -2.864 1.00 4.22 H new ATOM 0 HG3 GLU A 622 6.315 9.909 -2.199 1.00 4.22 H new ATOM 654 N PHE A 623 5.491 7.170 -3.651 1.00 52.44 N ATOM 655 CA PHE A 623 4.160 6.978 -3.276 1.00 21.10 C ATOM 656 C PHE A 623 4.184 6.586 -1.851 1.00 32.14 C ATOM 657 O PHE A 623 4.815 5.604 -1.484 1.00 63.34 O ATOM 658 CB PHE A 623 3.504 5.888 -4.128 1.00 13.14 C ATOM 659 CG PHE A 623 3.474 6.186 -5.613 1.00 2.05 C ATOM 660 CD1 PHE A 623 4.567 5.900 -6.417 1.00 44.41 C ATOM 661 CD2 PHE A 623 2.355 6.748 -6.200 1.00 74.12 C ATOM 662 CE1 PHE A 623 4.541 6.169 -7.766 1.00 63.55 C ATOM 663 CE2 PHE A 623 2.328 7.017 -7.549 1.00 50.12 C ATOM 664 CZ PHE A 623 3.424 6.728 -8.332 1.00 32.24 C ATOM 0 H PHE A 623 6.077 6.335 -3.634 1.00 52.44 H new ATOM 0 HA PHE A 623 3.575 7.885 -3.426 1.00 21.10 H new ATOM 0 HB2 PHE A 623 4.036 4.950 -3.969 1.00 13.14 H new ATOM 0 HB3 PHE A 623 2.482 5.738 -3.780 1.00 13.14 H new ATOM 0 HD1 PHE A 623 5.451 5.460 -5.978 1.00 44.41 H new ATOM 0 HD2 PHE A 623 1.492 6.978 -5.592 1.00 74.12 H new ATOM 0 HE1 PHE A 623 5.400 5.940 -8.379 1.00 63.55 H new ATOM 0 HE2 PHE A 623 1.447 7.455 -7.994 1.00 50.12 H new ATOM 0 HZ PHE A 623 3.404 6.941 -9.390 1.00 32.24 H new ATOM 674 N HIS A 624 3.535 7.328 -1.052 1.00 50.04 N ATOM 675 CA HIS A 624 3.514 7.054 0.322 1.00 0.41 C ATOM 676 C HIS A 624 2.122 6.639 0.669 1.00 42.01 C ATOM 677 O HIS A 624 1.181 7.391 0.456 1.00 3.43 O ATOM 678 CB HIS A 624 3.876 8.324 1.069 1.00 34.11 C ATOM 679 CG HIS A 624 4.798 8.092 2.186 1.00 2.40 C ATOM 680 ND1 HIS A 624 6.103 8.468 2.134 1.00 40.24 N ATOM 681 CD2 HIS A 624 4.619 7.505 3.386 1.00 30.04 C ATOM 682 CE1 HIS A 624 6.695 8.114 3.241 1.00 40.31 C ATOM 683 NE2 HIS A 624 5.819 7.532 4.026 1.00 53.44 N ATOM 0 H HIS A 624 2.999 8.149 -1.334 1.00 50.04 H new ATOM 0 HA HIS A 624 4.221 6.268 0.588 1.00 0.41 H new ATOM 0 HB2 HIS A 624 4.328 9.031 0.373 1.00 34.11 H new ATOM 0 HB3 HIS A 624 2.965 8.788 1.448 1.00 34.11 H new ATOM 0 HD1 HIS A 624 6.549 8.950 1.353 1.00 40.24 H new ATOM 0 HD2 HIS A 624 3.697 7.091 3.767 1.00 30.04 H new ATOM 0 HE1 HIS A 624 7.737 8.274 3.474 1.00 40.31 H new ATOM 692 N ILE A 625 1.982 5.482 1.220 1.00 10.13 N ATOM 693 CA ILE A 625 0.678 4.959 1.518 1.00 71.45 C ATOM 694 C ILE A 625 0.737 4.223 2.817 1.00 41.10 C ATOM 695 O ILE A 625 1.809 3.775 3.245 1.00 24.24 O ATOM 696 CB ILE A 625 0.159 3.969 0.412 1.00 51.42 C ATOM 697 CG1 ILE A 625 1.030 2.720 0.369 1.00 72.15 C ATOM 698 CG2 ILE A 625 0.094 4.632 -0.962 1.00 10.25 C ATOM 699 CD1 ILE A 625 0.677 1.727 -0.724 1.00 13.12 C ATOM 0 H ILE A 625 2.757 4.870 1.478 1.00 10.13 H new ATOM 0 HA ILE A 625 -0.010 5.803 1.564 1.00 71.45 H new ATOM 0 HB ILE A 625 -0.858 3.680 0.678 1.00 51.42 H new ATOM 0 HG12 ILE A 625 2.069 3.024 0.240 1.00 72.15 H new ATOM 0 HG13 ILE A 625 0.963 2.215 1.333 1.00 72.15 H new ATOM 0 HG21 ILE A 625 -0.269 3.913 -1.696 1.00 10.25 H new ATOM 0 HG22 ILE A 625 -0.584 5.485 -0.923 1.00 10.25 H new ATOM 0 HG23 ILE A 625 1.089 4.972 -1.249 1.00 10.25 H new ATOM 0 HD11 ILE A 625 1.353 0.873 -0.672 1.00 13.12 H new ATOM 0 HD12 ILE A 625 -0.349 1.386 -0.588 1.00 13.12 H new ATOM 0 HD13 ILE A 625 0.774 2.208 -1.697 1.00 13.12 H new ATOM 706 N ASN A 626 -0.356 4.130 3.447 1.00 53.42 N ATOM 707 CA ASN A 626 -0.465 3.378 4.663 1.00 64.11 C ATOM 708 C ASN A 626 -1.699 2.514 4.599 1.00 32.33 C ATOM 709 O ASN A 626 -2.697 2.918 4.018 1.00 52.41 O ATOM 710 CB ASN A 626 -0.567 4.322 5.857 1.00 34.12 C ATOM 711 CG ASN A 626 -0.633 3.590 7.178 1.00 13.24 C ATOM 712 OD1 ASN A 626 -0.070 2.495 7.334 1.00 42.00 O ATOM 713 ND2 ASN A 626 -1.303 4.171 8.128 1.00 43.12 N ATOM 0 H ASN A 626 -1.225 4.572 3.147 1.00 53.42 H new ATOM 0 HA ASN A 626 0.421 2.754 4.781 1.00 64.11 H new ATOM 0 HB2 ASN A 626 0.294 4.991 5.860 1.00 34.12 H new ATOM 0 HB3 ASN A 626 -1.455 4.945 5.747 1.00 34.12 H new ATOM 0 HD21 ASN A 626 -1.381 3.727 9.043 1.00 43.12 H new ATOM 0 HD22 ASN A 626 -1.751 5.071 7.959 1.00 43.12 H new ATOM 719 N VAL A 627 -1.621 1.325 5.151 1.00 30.45 N ATOM 720 CA VAL A 627 -2.772 0.468 5.248 1.00 74.32 C ATOM 721 C VAL A 627 -3.560 0.909 6.425 1.00 41.43 C ATOM 722 O VAL A 627 -3.046 0.905 7.523 1.00 64.32 O ATOM 723 CB VAL A 627 -2.395 -1.028 5.445 1.00 35.05 C ATOM 724 CG1 VAL A 627 -3.642 -1.876 5.687 1.00 11.12 C ATOM 725 CG2 VAL A 627 -1.680 -1.543 4.233 1.00 14.24 C ATOM 0 H VAL A 627 -0.765 0.931 5.541 1.00 30.45 H new ATOM 0 HA VAL A 627 -3.331 0.543 4.316 1.00 74.32 H new ATOM 0 HB VAL A 627 -1.743 -1.099 6.316 1.00 35.05 H new ATOM 0 HG11 VAL A 627 -3.353 -2.918 5.822 1.00 11.12 H new ATOM 0 HG12 VAL A 627 -4.154 -1.523 6.582 1.00 11.12 H new ATOM 0 HG13 VAL A 627 -4.310 -1.793 4.830 1.00 11.12 H new ATOM 0 HG21 VAL A 627 -1.421 -2.591 4.382 1.00 14.24 H new ATOM 0 HG22 VAL A 627 -2.328 -1.449 3.361 1.00 14.24 H new ATOM 0 HG23 VAL A 627 -0.771 -0.963 4.073 1.00 14.24 H new ATOM 731 N CYS A 628 -4.781 1.320 6.166 1.00 63.23 N ATOM 732 CA CYS A 628 -5.755 1.748 7.157 1.00 62.30 C ATOM 733 C CYS A 628 -5.440 3.162 7.639 1.00 52.42 C ATOM 734 O CYS A 628 -4.277 3.551 7.813 1.00 13.40 O ATOM 735 CB CYS A 628 -5.732 0.747 8.340 1.00 72.24 C ATOM 736 SG CYS A 628 -7.016 0.899 9.626 1.00 74.42 S ATOM 0 H CYS A 628 -5.144 1.369 5.214 1.00 63.23 H new ATOM 0 HA CYS A 628 -6.750 1.764 6.713 1.00 62.30 H new ATOM 0 HB2 CYS A 628 -5.794 -0.259 7.925 1.00 72.24 H new ATOM 0 HB3 CYS A 628 -4.761 0.831 8.828 1.00 72.24 H new ATOM 741 N GLY A 629 -6.482 3.896 7.891 1.00 20.02 N ATOM 742 CA GLY A 629 -6.363 5.226 8.403 1.00 40.24 C ATOM 743 C GLY A 629 -5.705 6.149 7.413 1.00 44.44 C ATOM 744 O GLY A 629 -5.833 5.974 6.194 1.00 11.21 O ATOM 0 H GLY A 629 -7.443 3.586 7.746 1.00 20.02 H new ATOM 0 HA2 GLY A 629 -7.352 5.608 8.655 1.00 40.24 H new ATOM 0 HA3 GLY A 629 -5.783 5.210 9.326 1.00 40.24 H new ATOM 748 N PRO A 630 -5.056 7.164 7.912 1.00 62.22 N ATOM 749 CA PRO A 630 -4.284 8.082 7.108 1.00 10.45 C ATOM 750 C PRO A 630 -2.803 7.705 7.021 1.00 64.33 C ATOM 751 O PRO A 630 -2.358 6.691 7.577 1.00 32.13 O ATOM 752 CB PRO A 630 -4.408 9.349 7.902 1.00 63.31 C ATOM 753 CG PRO A 630 -4.428 8.892 9.326 1.00 51.11 C ATOM 754 CD PRO A 630 -5.070 7.553 9.332 1.00 25.04 C ATOM 0 HA PRO A 630 -4.635 8.120 6.077 1.00 10.45 H new ATOM 0 HB2 PRO A 630 -3.571 10.021 7.712 1.00 63.31 H new ATOM 0 HB3 PRO A 630 -5.318 9.892 7.646 1.00 63.31 H new ATOM 0 HG2 PRO A 630 -3.417 8.839 9.730 1.00 51.11 H new ATOM 0 HG3 PRO A 630 -4.985 9.591 9.950 1.00 51.11 H new ATOM 0 HD2 PRO A 630 -4.517 6.845 9.949 1.00 25.04 H new ATOM 0 HD3 PRO A 630 -6.085 7.595 9.727 1.00 25.04 H new ATOM 762 N VAL A 631 -2.060 8.532 6.336 1.00 63.32 N ATOM 763 CA VAL A 631 -0.644 8.402 6.239 1.00 55.40 C ATOM 764 C VAL A 631 -0.008 9.579 6.973 1.00 63.23 C ATOM 765 O VAL A 631 -0.388 10.747 6.756 1.00 21.35 O ATOM 766 CB VAL A 631 -0.177 8.355 4.733 1.00 43.21 C ATOM 767 CG1 VAL A 631 -0.573 9.583 3.940 1.00 64.12 C ATOM 768 CG2 VAL A 631 1.296 8.112 4.610 1.00 71.13 C ATOM 0 H VAL A 631 -2.436 9.329 5.822 1.00 63.32 H new ATOM 0 HA VAL A 631 -0.328 7.464 6.696 1.00 55.40 H new ATOM 0 HB VAL A 631 -0.708 7.509 4.298 1.00 43.21 H new ATOM 0 HG11 VAL A 631 -0.220 9.483 2.914 1.00 64.12 H new ATOM 0 HG12 VAL A 631 -1.658 9.683 3.942 1.00 64.12 H new ATOM 0 HG13 VAL A 631 -0.126 10.468 4.393 1.00 64.12 H new ATOM 0 HG21 VAL A 631 1.574 8.087 3.556 1.00 71.13 H new ATOM 0 HG22 VAL A 631 1.840 8.913 5.110 1.00 71.13 H new ATOM 0 HG23 VAL A 631 1.547 7.158 5.074 1.00 71.13 H new ATOM 774 N SER A 632 0.925 9.306 7.842 1.00 23.14 N ATOM 775 CA SER A 632 1.559 10.365 8.544 1.00 10.54 C ATOM 776 C SER A 632 2.858 10.699 7.856 1.00 74.32 C ATOM 777 O SER A 632 3.925 10.167 8.181 1.00 73.21 O ATOM 778 CB SER A 632 1.750 10.043 10.037 1.00 20.33 C ATOM 779 OG SER A 632 2.272 11.154 10.759 1.00 71.40 O ATOM 0 H SER A 632 1.254 8.369 8.073 1.00 23.14 H new ATOM 0 HA SER A 632 0.913 11.243 8.521 1.00 10.54 H new ATOM 0 HB2 SER A 632 0.794 9.746 10.469 1.00 20.33 H new ATOM 0 HB3 SER A 632 2.425 9.193 10.141 1.00 20.33 H new ATOM 0 HG SER A 632 2.377 10.911 11.702 1.00 71.40 H new ATOM 785 N VAL A 633 2.741 11.490 6.826 1.00 75.23 N ATOM 786 CA VAL A 633 3.877 11.952 6.105 1.00 20.21 C ATOM 787 C VAL A 633 3.749 13.444 5.856 1.00 70.03 C ATOM 788 O VAL A 633 2.642 13.954 5.676 1.00 14.05 O ATOM 789 CB VAL A 633 4.079 11.162 4.769 1.00 54.31 C ATOM 790 CG1 VAL A 633 2.948 11.326 3.786 1.00 10.44 C ATOM 791 CG2 VAL A 633 5.422 11.428 4.134 1.00 21.43 C ATOM 0 H VAL A 633 1.848 11.829 6.468 1.00 75.23 H new ATOM 0 HA VAL A 633 4.767 11.771 6.708 1.00 20.21 H new ATOM 0 HB VAL A 633 4.065 10.112 5.061 1.00 54.31 H new ATOM 0 HG11 VAL A 633 3.161 10.749 2.886 1.00 10.44 H new ATOM 0 HG12 VAL A 633 2.021 10.969 4.235 1.00 10.44 H new ATOM 0 HG13 VAL A 633 2.843 12.379 3.525 1.00 10.44 H new ATOM 0 HG21 VAL A 633 5.508 10.855 3.211 1.00 21.43 H new ATOM 0 HG22 VAL A 633 5.515 12.491 3.911 1.00 21.43 H new ATOM 0 HG23 VAL A 633 6.214 11.131 4.821 1.00 21.43 H new ATOM 797 N GLY A 634 4.869 14.137 5.833 1.00 11.10 N ATOM 798 CA GLY A 634 4.875 15.576 5.641 1.00 64.43 C ATOM 799 C GLY A 634 4.587 15.974 4.209 1.00 54.30 C ATOM 800 O GLY A 634 4.618 17.156 3.866 1.00 63.34 O ATOM 0 H GLY A 634 5.795 13.724 5.946 1.00 11.10 H new ATOM 0 HA2 GLY A 634 4.132 16.029 6.297 1.00 64.43 H new ATOM 0 HA3 GLY A 634 5.846 15.974 5.937 1.00 64.43 H new ATOM 804 N ALA A 635 4.331 14.990 3.377 1.00 1.32 N ATOM 805 CA ALA A 635 3.984 15.216 2.004 1.00 43.44 C ATOM 806 C ALA A 635 2.522 15.624 1.896 1.00 53.01 C ATOM 807 O ALA A 635 2.196 16.585 1.215 1.00 50.20 O ATOM 808 CB ALA A 635 4.261 13.973 1.173 1.00 73.21 C ATOM 0 H ALA A 635 4.360 14.005 3.642 1.00 1.32 H new ATOM 0 HA ALA A 635 4.599 16.027 1.614 1.00 43.44 H new ATOM 0 HB1 ALA A 635 3.992 14.163 0.134 1.00 73.21 H new ATOM 0 HB2 ALA A 635 5.320 13.723 1.234 1.00 73.21 H new ATOM 0 HB3 ALA A 635 3.670 13.141 1.555 1.00 73.21 H new ATOM 814 N CYS A 636 1.647 14.913 2.592 1.00 10.22 N ATOM 815 CA CYS A 636 0.218 15.241 2.529 1.00 4.12 C ATOM 816 C CYS A 636 -0.419 15.335 3.902 1.00 71.43 C ATOM 817 O CYS A 636 0.019 14.656 4.837 1.00 15.03 O ATOM 818 CB CYS A 636 -0.558 14.263 1.639 1.00 71.53 C ATOM 819 SG CYS A 636 -0.167 14.386 -0.134 1.00 4.40 S ATOM 0 H CYS A 636 1.885 14.125 3.194 1.00 10.22 H new ATOM 0 HA CYS A 636 0.159 16.230 2.074 1.00 4.12 H new ATOM 0 HB2 CYS A 636 -0.354 13.246 1.974 1.00 71.53 H new ATOM 0 HB3 CYS A 636 -1.626 14.435 1.776 1.00 71.53 H new ATOM 824 N PRO A 637 -1.461 16.209 4.040 1.00 1.02 N ATOM 825 CA PRO A 637 -2.212 16.400 5.290 1.00 63.42 C ATOM 826 C PRO A 637 -2.696 15.078 5.908 1.00 43.20 C ATOM 827 O PRO A 637 -2.901 14.085 5.196 1.00 41.21 O ATOM 828 CB PRO A 637 -3.421 17.226 4.845 1.00 25.13 C ATOM 829 CG PRO A 637 -2.931 18.005 3.688 1.00 12.23 C ATOM 830 CD PRO A 637 -1.976 17.100 2.967 1.00 62.11 C ATOM 0 HA PRO A 637 -1.595 16.867 6.057 1.00 63.42 H new ATOM 0 HB2 PRO A 637 -4.258 16.586 4.567 1.00 25.13 H new ATOM 0 HB3 PRO A 637 -3.771 17.880 5.644 1.00 25.13 H new ATOM 0 HG2 PRO A 637 -3.755 18.303 3.039 1.00 12.23 H new ATOM 0 HG3 PRO A 637 -2.435 18.919 4.013 1.00 12.23 H new ATOM 0 HD2 PRO A 637 -2.476 16.534 2.181 1.00 62.11 H new ATOM 0 HD3 PRO A 637 -1.172 17.662 2.492 1.00 62.11 H new ATOM 838 N PRO A 638 -2.894 15.055 7.247 1.00 72.32 N ATOM 839 CA PRO A 638 -3.360 13.865 8.001 1.00 12.22 C ATOM 840 C PRO A 638 -4.681 13.270 7.482 1.00 14.42 C ATOM 841 O PRO A 638 -5.079 12.200 7.900 1.00 62.32 O ATOM 842 CB PRO A 638 -3.543 14.385 9.427 1.00 72.51 C ATOM 843 CG PRO A 638 -2.635 15.555 9.513 1.00 75.33 C ATOM 844 CD PRO A 638 -2.661 16.196 8.160 1.00 15.34 C ATOM 0 HA PRO A 638 -2.643 13.049 7.907 1.00 12.22 H new ATOM 0 HB2 PRO A 638 -4.578 14.671 9.616 1.00 72.51 H new ATOM 0 HB3 PRO A 638 -3.282 13.625 10.164 1.00 72.51 H new ATOM 0 HG2 PRO A 638 -2.968 16.252 10.282 1.00 75.33 H new ATOM 0 HG3 PRO A 638 -1.624 15.246 9.779 1.00 75.33 H new ATOM 0 HD2 PRO A 638 -3.453 16.941 8.083 1.00 15.34 H new ATOM 0 HD3 PRO A 638 -1.723 16.704 7.938 1.00 15.34 H new ATOM 852 N ASP A 639 -5.369 13.983 6.611 1.00 33.33 N ATOM 853 CA ASP A 639 -6.620 13.479 6.037 1.00 50.50 C ATOM 854 C ASP A 639 -6.360 12.553 4.873 1.00 64.34 C ATOM 855 O ASP A 639 -7.279 11.940 4.351 1.00 61.45 O ATOM 856 CB ASP A 639 -7.529 14.610 5.567 1.00 11.54 C ATOM 857 CG ASP A 639 -7.961 15.507 6.680 1.00 1.21 C ATOM 858 OD1 ASP A 639 -8.856 15.113 7.458 1.00 62.34 O ATOM 859 OD2 ASP A 639 -7.394 16.618 6.820 1.00 42.01 O ATOM 0 H ASP A 639 -5.092 14.908 6.282 1.00 33.33 H new ATOM 0 HA ASP A 639 -7.119 12.930 6.836 1.00 50.50 H new ATOM 0 HB2 ASP A 639 -7.007 15.200 4.813 1.00 11.54 H new ATOM 0 HB3 ASP A 639 -8.410 14.185 5.086 1.00 11.54 H new ATOM 864 N SER A 640 -5.126 12.458 4.459 1.00 53.31 N ATOM 865 CA SER A 640 -4.768 11.624 3.347 1.00 52.41 C ATOM 866 C SER A 640 -4.246 10.283 3.848 1.00 71.23 C ATOM 867 O SER A 640 -3.554 10.230 4.862 1.00 21.41 O ATOM 868 CB SER A 640 -3.711 12.334 2.484 1.00 41.22 C ATOM 869 OG SER A 640 -3.341 11.564 1.354 1.00 72.41 O ATOM 0 H SER A 640 -4.343 12.956 4.882 1.00 53.31 H new ATOM 0 HA SER A 640 -5.650 11.440 2.734 1.00 52.41 H new ATOM 0 HB2 SER A 640 -4.100 13.297 2.154 1.00 41.22 H new ATOM 0 HB3 SER A 640 -2.827 12.538 3.089 1.00 41.22 H new ATOM 0 HG SER A 640 -4.023 11.658 0.657 1.00 72.41 H new ATOM 875 N GLY A 641 -4.611 9.215 3.154 1.00 3.42 N ATOM 876 CA GLY A 641 -4.134 7.882 3.486 1.00 13.34 C ATOM 877 C GLY A 641 -3.114 7.399 2.477 1.00 32.42 C ATOM 878 O GLY A 641 -2.312 6.494 2.757 1.00 4.32 O ATOM 0 H GLY A 641 -5.240 9.247 2.352 1.00 3.42 H new ATOM 0 HA2 GLY A 641 -3.690 7.889 4.481 1.00 13.34 H new ATOM 0 HA3 GLY A 641 -4.975 7.189 3.517 1.00 13.34 H new ATOM 882 N ALA A 642 -3.136 8.008 1.310 1.00 2.55 N ATOM 883 CA ALA A 642 -2.211 7.692 0.253 1.00 3.04 C ATOM 884 C ALA A 642 -1.844 8.976 -0.473 1.00 22.14 C ATOM 885 O ALA A 642 -2.714 9.708 -0.959 1.00 34.10 O ATOM 886 CB ALA A 642 -2.811 6.666 -0.691 1.00 62.43 C ATOM 0 H ALA A 642 -3.803 8.741 1.071 1.00 2.55 H new ATOM 0 HA ALA A 642 -1.305 7.250 0.669 1.00 3.04 H new ATOM 0 HB1 ALA A 642 -2.098 6.440 -1.483 1.00 62.43 H new ATOM 0 HB2 ALA A 642 -3.042 5.755 -0.139 1.00 62.43 H new ATOM 0 HB3 ALA A 642 -3.725 7.066 -1.129 1.00 62.43 H new ATOM 892 N CYS A 643 -0.576 9.242 -0.539 1.00 70.13 N ATOM 893 CA CYS A 643 -0.068 10.472 -1.076 1.00 64.13 C ATOM 894 C CYS A 643 1.171 10.262 -1.913 1.00 24.23 C ATOM 895 O CYS A 643 2.063 9.521 -1.525 1.00 65.30 O ATOM 896 CB CYS A 643 0.266 11.414 0.070 1.00 41.22 C ATOM 897 SG CYS A 643 1.163 12.916 -0.433 1.00 60.13 S ATOM 0 H CYS A 643 0.149 8.601 -0.216 1.00 70.13 H new ATOM 0 HA CYS A 643 -0.839 10.895 -1.720 1.00 64.13 H new ATOM 0 HB2 CYS A 643 -0.659 11.706 0.566 1.00 41.22 H new ATOM 0 HB3 CYS A 643 0.865 10.876 0.805 1.00 41.22 H new ATOM 902 N GLN A 644 1.225 10.891 -3.055 1.00 24.41 N ATOM 903 CA GLN A 644 2.434 10.891 -3.837 1.00 62.44 C ATOM 904 C GLN A 644 2.994 12.274 -3.902 1.00 22.23 C ATOM 905 O GLN A 644 2.249 13.243 -3.951 1.00 41.41 O ATOM 906 CB GLN A 644 2.272 10.394 -5.256 1.00 23.40 C ATOM 907 CG GLN A 644 1.222 11.093 -6.076 1.00 2.02 C ATOM 908 CD GLN A 644 1.323 10.751 -7.551 1.00 24.13 C ATOM 909 OE1 GLN A 644 2.403 10.451 -8.061 1.00 62.42 O ATOM 910 NE2 GLN A 644 0.237 10.838 -8.251 1.00 50.43 N ATOM 0 H GLN A 644 0.448 11.410 -3.465 1.00 24.41 H new ATOM 0 HA GLN A 644 3.100 10.195 -3.326 1.00 62.44 H new ATOM 0 HB2 GLN A 644 3.230 10.491 -5.767 1.00 23.40 H new ATOM 0 HB3 GLN A 644 2.034 9.331 -5.224 1.00 23.40 H new ATOM 0 HG2 GLN A 644 0.234 10.818 -5.708 1.00 2.02 H new ATOM 0 HG3 GLN A 644 1.321 12.171 -5.947 1.00 2.02 H new ATOM 0 HE21 GLN A 644 -0.642 11.089 -7.799 1.00 50.43 H new ATOM 0 HE22 GLN A 644 0.261 10.656 -9.254 1.00 50.43 H new ATOM 918 N VAL A 645 4.275 12.366 -3.904 1.00 53.43 N ATOM 919 CA VAL A 645 4.940 13.618 -4.046 1.00 54.40 C ATOM 920 C VAL A 645 6.070 13.449 -5.031 1.00 60.11 C ATOM 921 O VAL A 645 6.764 12.413 -5.036 1.00 75.33 O ATOM 922 CB VAL A 645 5.429 14.224 -2.676 1.00 22.23 C ATOM 923 CG1 VAL A 645 6.379 13.306 -1.953 1.00 30.04 C ATOM 924 CG2 VAL A 645 6.060 15.602 -2.861 1.00 55.23 C ATOM 0 H VAL A 645 4.902 11.567 -3.806 1.00 53.43 H new ATOM 0 HA VAL A 645 4.226 14.348 -4.427 1.00 54.40 H new ATOM 0 HB VAL A 645 4.539 14.335 -2.057 1.00 22.23 H new ATOM 0 HG11 VAL A 645 6.688 13.767 -1.015 1.00 30.04 H new ATOM 0 HG12 VAL A 645 5.882 12.359 -1.745 1.00 30.04 H new ATOM 0 HG13 VAL A 645 7.256 13.127 -2.575 1.00 30.04 H new ATOM 0 HG21 VAL A 645 6.384 15.986 -1.894 1.00 55.23 H new ATOM 0 HG22 VAL A 645 6.919 15.522 -3.527 1.00 55.23 H new ATOM 0 HG23 VAL A 645 5.327 16.282 -3.295 1.00 55.23 H new ATOM 930 N SER A 646 6.221 14.396 -5.897 1.00 42.24 N ATOM 931 CA SER A 646 7.243 14.338 -6.858 1.00 70.00 C ATOM 932 C SER A 646 8.524 14.849 -6.275 1.00 73.31 C ATOM 933 O SER A 646 8.600 15.971 -5.796 1.00 22.43 O ATOM 934 CB SER A 646 6.857 15.104 -8.130 1.00 21.14 C ATOM 935 OG SER A 646 6.541 16.463 -7.871 1.00 24.33 O ATOM 0 H SER A 646 5.633 15.228 -5.949 1.00 42.24 H new ATOM 0 HA SER A 646 7.389 13.297 -7.147 1.00 70.00 H new ATOM 0 HB2 SER A 646 7.680 15.055 -8.843 1.00 21.14 H new ATOM 0 HB3 SER A 646 6.001 14.618 -8.597 1.00 21.14 H new ATOM 0 HG SER A 646 5.997 16.818 -8.605 1.00 24.33 H new ATOM 941 N ARG A 647 9.524 14.021 -6.300 1.00 31.12 N ATOM 942 CA ARG A 647 10.838 14.397 -5.832 1.00 61.42 C ATOM 943 C ARG A 647 11.434 15.395 -6.833 1.00 52.24 C ATOM 944 O ARG A 647 12.359 16.142 -6.538 1.00 64.23 O ATOM 945 CB ARG A 647 11.696 13.126 -5.666 1.00 14.23 C ATOM 946 CG ARG A 647 12.010 12.385 -6.954 1.00 62.25 C ATOM 947 CD ARG A 647 12.407 10.940 -6.682 1.00 73.15 C ATOM 948 NE ARG A 647 13.523 10.814 -5.750 1.00 23.20 N ATOM 949 CZ ARG A 647 13.981 9.654 -5.253 1.00 50.11 C ATOM 950 NH1 ARG A 647 13.507 8.484 -5.704 1.00 31.23 N ATOM 951 NH2 ARG A 647 14.935 9.666 -4.338 1.00 14.44 N ATOM 0 H ARG A 647 9.459 13.063 -6.644 1.00 31.12 H new ATOM 0 HA ARG A 647 10.799 14.883 -4.857 1.00 61.42 H new ATOM 0 HB2 ARG A 647 12.635 13.401 -5.186 1.00 14.23 H new ATOM 0 HB3 ARG A 647 11.180 12.444 -4.990 1.00 14.23 H new ATOM 0 HG2 ARG A 647 11.140 12.407 -7.610 1.00 62.25 H new ATOM 0 HG3 ARG A 647 12.818 12.893 -7.480 1.00 62.25 H new ATOM 0 HD2 ARG A 647 11.547 10.403 -6.283 1.00 73.15 H new ATOM 0 HD3 ARG A 647 12.673 10.460 -7.624 1.00 73.15 H new ATOM 0 HE ARG A 647 13.990 11.671 -5.454 1.00 23.20 H new ATOM 0 HH11 ARG A 647 12.792 8.470 -6.431 1.00 31.23 H new ATOM 0 HH12 ARG A 647 13.861 7.608 -5.320 1.00 31.23 H new ATOM 0 HH21 ARG A 647 15.319 10.553 -4.013 1.00 14.44 H new ATOM 0 HH22 ARG A 647 15.287 8.788 -3.957 1.00 14.44 H new ATOM 963 N SER A 648 10.839 15.392 -8.013 1.00 35.44 N ATOM 964 CA SER A 648 11.215 16.225 -9.102 1.00 55.52 C ATOM 965 C SER A 648 10.656 17.661 -8.990 1.00 42.33 C ATOM 966 O SER A 648 11.412 18.640 -9.090 1.00 3.01 O ATOM 967 CB SER A 648 10.631 15.558 -10.339 1.00 62.54 C ATOM 968 OG SER A 648 11.150 14.264 -10.468 1.00 75.10 O ATOM 0 H SER A 648 10.053 14.780 -8.230 1.00 35.44 H new ATOM 0 HA SER A 648 12.300 16.327 -9.130 1.00 55.52 H new ATOM 0 HB2 SER A 648 9.544 15.518 -10.264 1.00 62.54 H new ATOM 0 HB3 SER A 648 10.868 16.145 -11.226 1.00 62.54 H new ATOM 0 HG SER A 648 11.483 14.135 -11.381 1.00 75.10 H new ATOM 974 N ASP A 649 9.353 17.796 -8.759 1.00 72.22 N ATOM 975 CA ASP A 649 8.738 19.133 -8.759 1.00 32.15 C ATOM 976 C ASP A 649 8.383 19.604 -7.344 1.00 64.20 C ATOM 977 O ASP A 649 8.198 20.791 -7.098 1.00 12.13 O ATOM 978 CB ASP A 649 7.508 19.156 -9.674 1.00 3.30 C ATOM 979 CG ASP A 649 7.073 20.556 -10.095 1.00 11.34 C ATOM 980 OD1 ASP A 649 6.605 21.341 -9.264 1.00 35.11 O ATOM 981 OD2 ASP A 649 7.220 20.884 -11.289 1.00 53.34 O ATOM 0 H ASP A 649 8.712 17.024 -8.574 1.00 72.22 H new ATOM 0 HA ASP A 649 9.475 19.835 -9.149 1.00 32.15 H new ATOM 0 HB2 ASP A 649 7.722 18.569 -10.567 1.00 3.30 H new ATOM 0 HB3 ASP A 649 6.679 18.668 -9.163 1.00 3.30 H new ATOM 986 N ARG A 650 8.343 18.653 -6.420 1.00 33.22 N ATOM 987 CA ARG A 650 7.894 18.847 -5.008 1.00 72.13 C ATOM 988 C ARG A 650 6.380 19.023 -4.928 1.00 13.12 C ATOM 989 O ARG A 650 5.845 19.507 -3.935 1.00 42.32 O ATOM 990 CB ARG A 650 8.630 19.989 -4.246 1.00 42.23 C ATOM 991 CG ARG A 650 10.104 19.726 -3.884 1.00 4.00 C ATOM 992 CD ARG A 650 11.020 19.648 -5.093 1.00 34.03 C ATOM 993 NE ARG A 650 11.020 20.899 -5.865 1.00 25.23 N ATOM 994 CZ ARG A 650 12.044 21.351 -6.590 1.00 51.34 C ATOM 995 NH1 ARG A 650 13.205 20.694 -6.600 1.00 41.33 N ATOM 996 NH2 ARG A 650 11.909 22.471 -7.285 1.00 21.51 N ATOM 0 H ARG A 650 8.625 17.693 -6.616 1.00 33.22 H new ATOM 0 HA ARG A 650 8.174 17.928 -4.492 1.00 72.13 H new ATOM 0 HB2 ARG A 650 8.583 20.892 -4.854 1.00 42.23 H new ATOM 0 HB3 ARG A 650 8.083 20.195 -3.326 1.00 42.23 H new ATOM 0 HG2 ARG A 650 10.455 20.519 -3.223 1.00 4.00 H new ATOM 0 HG3 ARG A 650 10.172 18.792 -3.326 1.00 4.00 H new ATOM 0 HD2 ARG A 650 12.035 19.424 -4.765 1.00 34.03 H new ATOM 0 HD3 ARG A 650 10.704 18.826 -5.735 1.00 34.03 H new ATOM 0 HE ARG A 650 10.172 21.465 -5.845 1.00 25.23 H new ATOM 0 HH11 ARG A 650 13.313 19.841 -6.051 1.00 41.33 H new ATOM 0 HH12 ARG A 650 13.985 21.045 -7.156 1.00 41.33 H new ATOM 0 HH21 ARG A 650 11.026 22.981 -7.263 1.00 21.51 H new ATOM 0 HH22 ARG A 650 12.688 22.823 -7.842 1.00 21.51 H new ATOM 1008 N LYS A 651 5.709 18.553 -5.956 1.00 21.12 N ATOM 1009 CA LYS A 651 4.249 18.562 -6.038 1.00 3.34 C ATOM 1010 C LYS A 651 3.726 17.332 -5.330 1.00 60.52 C ATOM 1011 O LYS A 651 4.286 16.258 -5.508 1.00 34.42 O ATOM 1012 CB LYS A 651 3.826 18.396 -7.490 1.00 31.03 C ATOM 1013 CG LYS A 651 4.133 19.496 -8.458 1.00 41.34 C ATOM 1014 CD LYS A 651 3.192 20.656 -8.309 1.00 70.13 C ATOM 1015 CE LYS A 651 3.355 21.615 -9.467 1.00 15.43 C ATOM 1016 NZ LYS A 651 2.482 22.802 -9.352 1.00 52.43 N ATOM 0 H LYS A 651 6.161 18.146 -6.775 1.00 21.12 H new ATOM 0 HA LYS A 651 3.874 19.491 -5.608 1.00 3.34 H new ATOM 0 HB2 LYS A 651 4.290 17.485 -7.867 1.00 31.03 H new ATOM 0 HB3 LYS A 651 2.748 18.235 -7.504 1.00 31.03 H new ATOM 0 HG2 LYS A 651 5.157 19.838 -8.305 1.00 41.34 H new ATOM 0 HG3 LYS A 651 4.074 19.110 -9.476 1.00 41.34 H new ATOM 0 HD2 LYS A 651 2.164 20.296 -8.268 1.00 70.13 H new ATOM 0 HD3 LYS A 651 3.387 21.173 -7.369 1.00 70.13 H new ATOM 0 HE2 LYS A 651 4.395 21.938 -9.522 1.00 15.43 H new ATOM 0 HE3 LYS A 651 3.133 21.094 -10.399 1.00 15.43 H new ATOM 0 HZ1 LYS A 651 2.634 23.425 -10.171 1.00 52.43 H new ATOM 0 HZ2 LYS A 651 1.487 22.500 -9.326 1.00 52.43 H new ATOM 0 HZ3 LYS A 651 2.710 23.317 -8.478 1.00 52.43 H new ATOM 1030 N SER A 652 2.680 17.452 -4.564 1.00 3.41 N ATOM 1031 CA SER A 652 2.096 16.274 -3.990 1.00 72.43 C ATOM 1032 C SER A 652 0.641 16.164 -4.348 1.00 40.20 C ATOM 1033 O SER A 652 -0.068 17.171 -4.465 1.00 14.42 O ATOM 1034 CB SER A 652 2.329 16.162 -2.491 1.00 3.32 C ATOM 1035 OG SER A 652 1.808 17.287 -1.796 1.00 32.14 O ATOM 0 H SER A 652 2.222 18.332 -4.326 1.00 3.41 H new ATOM 0 HA SER A 652 2.613 15.421 -4.429 1.00 72.43 H new ATOM 0 HB2 SER A 652 1.860 15.252 -2.116 1.00 3.32 H new ATOM 0 HB3 SER A 652 3.397 16.074 -2.294 1.00 3.32 H new ATOM 0 HG SER A 652 1.892 17.143 -0.830 1.00 32.14 H new ATOM 1041 N TRP A 653 0.203 14.961 -4.546 1.00 5.10 N ATOM 1042 CA TRP A 653 -1.134 14.693 -4.951 1.00 73.41 C ATOM 1043 C TRP A 653 -1.791 13.749 -3.966 1.00 41.40 C ATOM 1044 O TRP A 653 -1.131 12.880 -3.383 1.00 72.13 O ATOM 1045 CB TRP A 653 -1.149 14.102 -6.373 1.00 54.44 C ATOM 1046 CG TRP A 653 -0.560 15.026 -7.413 1.00 13.13 C ATOM 1047 CD1 TRP A 653 -1.211 16.009 -8.083 1.00 23.41 C ATOM 1048 CD2 TRP A 653 0.802 15.057 -7.897 1.00 1.32 C ATOM 1049 NE1 TRP A 653 -0.352 16.644 -8.944 1.00 21.34 N ATOM 1050 CE2 TRP A 653 0.876 16.080 -8.852 1.00 54.51 C ATOM 1051 CE3 TRP A 653 1.958 14.321 -7.617 1.00 40.52 C ATOM 1052 CZ2 TRP A 653 2.046 16.388 -9.526 1.00 63.54 C ATOM 1053 CZ3 TRP A 653 3.119 14.625 -8.281 1.00 1.43 C ATOM 1054 CH2 TRP A 653 3.156 15.653 -9.229 1.00 15.11 C ATOM 0 H TRP A 653 0.777 14.126 -4.428 1.00 5.10 H new ATOM 0 HA TRP A 653 -1.699 15.625 -4.964 1.00 73.41 H new ATOM 0 HB2 TRP A 653 -0.593 13.164 -6.375 1.00 54.44 H new ATOM 0 HB3 TRP A 653 -2.176 13.864 -6.649 1.00 54.44 H new ATOM 0 HD1 TRP A 653 -2.255 16.256 -7.957 1.00 23.41 H new ATOM 0 HE1 TRP A 653 -0.600 17.420 -9.558 1.00 21.34 H new ATOM 0 HE3 TRP A 653 1.937 13.524 -6.888 1.00 40.52 H new ATOM 0 HZ2 TRP A 653 2.078 17.180 -10.259 1.00 63.54 H new ATOM 0 HZ3 TRP A 653 4.017 14.063 -8.069 1.00 1.43 H new ATOM 0 HH2 TRP A 653 4.084 15.870 -9.737 1.00 15.11 H new ATOM 1065 N ASN A 654 -3.079 13.905 -3.797 1.00 64.23 N ATOM 1066 CA ASN A 654 -3.827 13.098 -2.858 1.00 55.11 C ATOM 1067 C ASN A 654 -4.421 11.948 -3.602 1.00 15.14 C ATOM 1068 O ASN A 654 -5.246 12.140 -4.502 1.00 13.35 O ATOM 1069 CB ASN A 654 -4.944 13.930 -2.225 1.00 60.14 C ATOM 1070 CG ASN A 654 -5.692 13.227 -1.120 1.00 73.43 C ATOM 1071 OD1 ASN A 654 -5.185 12.317 -0.480 1.00 2.22 O ATOM 1072 ND2 ASN A 654 -6.873 13.693 -0.848 1.00 73.43 N ATOM 0 H ASN A 654 -3.640 14.591 -4.302 1.00 64.23 H new ATOM 0 HA ASN A 654 -3.168 12.741 -2.067 1.00 55.11 H new ATOM 0 HB2 ASN A 654 -4.515 14.851 -1.829 1.00 60.14 H new ATOM 0 HB3 ASN A 654 -5.652 14.217 -3.002 1.00 60.14 H new ATOM 0 HD21 ASN A 654 -7.412 13.299 -0.077 1.00 73.43 H new ATOM 0 HD22 ASN A 654 -7.262 14.454 -1.405 1.00 73.43 H new ATOM 1078 N LEU A 655 -4.000 10.766 -3.245 1.00 43.43 N ATOM 1079 CA LEU A 655 -4.410 9.565 -3.934 1.00 24.11 C ATOM 1080 C LEU A 655 -5.493 8.863 -3.152 1.00 11.42 C ATOM 1081 O LEU A 655 -5.829 7.713 -3.421 1.00 45.24 O ATOM 1082 CB LEU A 655 -3.211 8.639 -4.113 1.00 70.22 C ATOM 1083 CG LEU A 655 -2.000 9.227 -4.830 1.00 2.31 C ATOM 1084 CD1 LEU A 655 -0.919 8.172 -4.993 1.00 15.43 C ATOM 1085 CD2 LEU A 655 -2.397 9.813 -6.172 1.00 43.40 C ATOM 0 H LEU A 655 -3.361 10.604 -2.467 1.00 43.43 H new ATOM 0 HA LEU A 655 -4.803 9.834 -4.914 1.00 24.11 H new ATOM 0 HB2 LEU A 655 -2.892 8.299 -3.128 1.00 70.22 H new ATOM 0 HB3 LEU A 655 -3.539 7.758 -4.664 1.00 70.22 H new ATOM 0 HG LEU A 655 -1.598 10.037 -4.221 1.00 2.31 H new ATOM 0 HD11 LEU A 655 -0.061 8.606 -5.506 1.00 15.43 H new ATOM 0 HD12 LEU A 655 -0.611 7.812 -4.011 1.00 15.43 H new ATOM 0 HD13 LEU A 655 -1.309 7.339 -5.578 1.00 15.43 H new ATOM 0 HD21 LEU A 655 -1.516 10.226 -6.664 1.00 43.40 H new ATOM 0 HD22 LEU A 655 -2.828 9.031 -6.797 1.00 43.40 H new ATOM 0 HD23 LEU A 655 -3.132 10.603 -6.021 1.00 43.40 H new ATOM 1093 N GLY A 656 -6.016 9.540 -2.178 1.00 51.44 N ATOM 1094 CA GLY A 656 -7.077 8.996 -1.421 1.00 40.30 C ATOM 1095 C GLY A 656 -7.017 9.427 -0.001 1.00 63.54 C ATOM 1096 O GLY A 656 -5.955 9.365 0.638 1.00 35.11 O ATOM 0 H GLY A 656 -5.718 10.473 -1.895 1.00 51.44 H new ATOM 0 HA2 GLY A 656 -8.028 9.304 -1.855 1.00 40.30 H new ATOM 0 HA3 GLY A 656 -7.040 7.908 -1.473 1.00 40.30 H new ATOM 1100 N ARG A 657 -8.137 9.886 0.507 1.00 5.00 N ATOM 1101 CA ARG A 657 -8.224 10.287 1.873 1.00 75.50 C ATOM 1102 C ARG A 657 -8.189 9.070 2.775 1.00 31.03 C ATOM 1103 O ARG A 657 -8.316 7.934 2.295 1.00 41.23 O ATOM 1104 CB ARG A 657 -9.483 11.097 2.133 1.00 52.54 C ATOM 1105 CG ARG A 657 -9.576 12.382 1.343 1.00 54.21 C ATOM 1106 CD ARG A 657 -10.813 13.176 1.726 1.00 65.10 C ATOM 1107 NE ARG A 657 -10.830 13.513 3.157 1.00 1.53 N ATOM 1108 CZ ARG A 657 -11.016 14.747 3.656 1.00 71.22 C ATOM 1109 NH1 ARG A 657 -11.146 15.793 2.841 1.00 35.51 N ATOM 1110 NH2 ARG A 657 -11.060 14.929 4.970 1.00 24.24 N ATOM 0 H ARG A 657 -9.004 9.988 -0.020 1.00 5.00 H new ATOM 0 HA ARG A 657 -7.366 10.922 2.093 1.00 75.50 H new ATOM 0 HB2 ARG A 657 -10.351 10.480 1.902 1.00 52.54 H new ATOM 0 HB3 ARG A 657 -9.534 11.334 3.196 1.00 52.54 H new ATOM 0 HG2 ARG A 657 -8.685 12.985 1.519 1.00 54.21 H new ATOM 0 HG3 ARG A 657 -9.602 12.155 0.277 1.00 54.21 H new ATOM 0 HD2 ARG A 657 -10.852 14.092 1.137 1.00 65.10 H new ATOM 0 HD3 ARG A 657 -11.705 12.600 1.479 1.00 65.10 H new ATOM 0 HE ARG A 657 -10.690 12.752 3.822 1.00 1.53 H new ATOM 0 HH11 ARG A 657 -11.105 15.660 1.830 1.00 35.51 H new ATOM 0 HH12 ARG A 657 -11.287 16.726 3.228 1.00 35.51 H new ATOM 0 HH21 ARG A 657 -10.953 14.133 5.599 1.00 24.24 H new ATOM 0 HH22 ARG A 657 -11.201 15.865 5.351 1.00 24.24 H new ATOM 1122 N SER A 658 -8.042 9.313 4.048 1.00 65.03 N ATOM 1123 CA SER A 658 -7.961 8.283 5.057 1.00 13.41 C ATOM 1124 C SER A 658 -9.183 7.368 5.021 1.00 53.54 C ATOM 1125 O SER A 658 -10.332 7.835 4.891 1.00 12.11 O ATOM 1126 CB SER A 658 -7.827 8.962 6.407 1.00 24.31 C ATOM 1127 OG SER A 658 -8.825 9.963 6.559 1.00 2.02 O ATOM 0 H SER A 658 -7.973 10.258 4.427 1.00 65.03 H new ATOM 0 HA SER A 658 -7.094 7.649 4.868 1.00 13.41 H new ATOM 0 HB2 SER A 658 -7.919 8.224 7.203 1.00 24.31 H new ATOM 0 HB3 SER A 658 -6.837 9.409 6.500 1.00 24.31 H new ATOM 0 HG SER A 658 -8.728 10.392 7.435 1.00 2.02 H new ATOM 1133 N ASN A 659 -8.938 6.073 5.112 1.00 0.03 N ATOM 1134 CA ASN A 659 -9.990 5.095 5.001 1.00 51.35 C ATOM 1135 C ASN A 659 -9.498 3.770 5.572 1.00 32.04 C ATOM 1136 O ASN A 659 -8.297 3.568 5.707 1.00 71.22 O ATOM 1137 CB ASN A 659 -10.373 4.941 3.526 1.00 43.23 C ATOM 1138 CG ASN A 659 -11.605 4.118 3.319 1.00 43.32 C ATOM 1139 OD1 ASN A 659 -12.482 4.081 4.160 1.00 51.11 O ATOM 1140 ND2 ASN A 659 -11.673 3.463 2.212 1.00 52.32 N ATOM 0 H ASN A 659 -8.010 5.678 5.264 1.00 0.03 H new ATOM 0 HA ASN A 659 -10.869 5.414 5.561 1.00 51.35 H new ATOM 0 HB2 ASN A 659 -10.527 5.929 3.092 1.00 43.23 H new ATOM 0 HB3 ASN A 659 -9.543 4.483 2.988 1.00 43.23 H new ATOM 0 HD21 ASN A 659 -12.488 2.883 2.012 1.00 52.32 H new ATOM 0 HD22 ASN A 659 -10.912 3.525 1.535 1.00 52.32 H new ATOM 1146 N ALA A 660 -10.401 2.889 5.929 1.00 24.43 N ATOM 1147 CA ALA A 660 -10.015 1.607 6.490 1.00 22.13 C ATOM 1148 C ALA A 660 -10.804 0.468 5.880 1.00 54.41 C ATOM 1149 O ALA A 660 -10.739 -0.649 6.366 1.00 31.15 O ATOM 1150 CB ALA A 660 -10.225 1.615 8.002 1.00 50.14 C ATOM 0 H ALA A 660 -11.407 3.031 5.843 1.00 24.43 H new ATOM 0 HA ALA A 660 -8.961 1.452 6.261 1.00 22.13 H new ATOM 0 HB1 ALA A 660 -9.933 0.649 8.415 1.00 50.14 H new ATOM 0 HB2 ALA A 660 -9.616 2.400 8.450 1.00 50.14 H new ATOM 0 HB3 ALA A 660 -11.276 1.801 8.222 1.00 50.14 H new ATOM 1156 N LYS A 661 -11.509 0.726 4.800 1.00 20.12 N ATOM 1157 CA LYS A 661 -12.397 -0.296 4.260 1.00 14.04 C ATOM 1158 C LYS A 661 -11.616 -1.330 3.448 1.00 75.25 C ATOM 1159 O LYS A 661 -11.197 -1.063 2.313 1.00 4.31 O ATOM 1160 CB LYS A 661 -13.503 0.305 3.378 1.00 22.12 C ATOM 1161 CG LYS A 661 -14.136 1.563 3.904 1.00 50.40 C ATOM 1162 CD LYS A 661 -14.668 1.426 5.305 1.00 53.44 C ATOM 1163 CE LYS A 661 -15.280 2.729 5.716 1.00 60.21 C ATOM 1164 NZ LYS A 661 -15.699 2.772 7.120 1.00 20.21 N ATOM 0 H LYS A 661 -11.492 1.607 4.286 1.00 20.12 H new ATOM 0 HA LYS A 661 -12.864 -0.781 5.117 1.00 14.04 H new ATOM 0 HB2 LYS A 661 -13.085 0.513 2.393 1.00 22.12 H new ATOM 0 HB3 LYS A 661 -14.283 -0.444 3.242 1.00 22.12 H new ATOM 0 HG2 LYS A 661 -13.401 2.368 3.880 1.00 50.40 H new ATOM 0 HG3 LYS A 661 -14.951 1.855 3.241 1.00 50.40 H new ATOM 0 HD2 LYS A 661 -15.410 0.629 5.351 1.00 53.44 H new ATOM 0 HD3 LYS A 661 -13.865 1.153 5.989 1.00 53.44 H new ATOM 0 HE2 LYS A 661 -14.562 3.529 5.537 1.00 60.21 H new ATOM 0 HE3 LYS A 661 -16.144 2.929 5.083 1.00 60.21 H new ATOM 0 HZ1 LYS A 661 -15.938 3.750 7.381 1.00 20.21 H new ATOM 0 HZ2 LYS A 661 -16.533 2.165 7.252 1.00 20.21 H new ATOM 0 HZ3 LYS A 661 -14.924 2.432 7.724 1.00 20.21 H new ATOM 1178 N LEU A 662 -11.391 -2.478 4.038 1.00 34.53 N ATOM 1179 CA LEU A 662 -10.766 -3.571 3.329 1.00 73.34 C ATOM 1180 C LEU A 662 -11.810 -4.333 2.567 1.00 11.40 C ATOM 1181 O LEU A 662 -12.970 -4.381 2.956 1.00 2.15 O ATOM 1182 CB LEU A 662 -10.045 -4.552 4.278 1.00 30.12 C ATOM 1183 CG LEU A 662 -8.792 -4.062 5.001 1.00 14.00 C ATOM 1184 CD1 LEU A 662 -8.280 -5.154 5.918 1.00 72.55 C ATOM 1185 CD2 LEU A 662 -7.707 -3.705 4.002 1.00 22.11 C ATOM 0 H LEU A 662 -11.631 -2.681 5.008 1.00 34.53 H new ATOM 0 HA LEU A 662 -10.024 -3.137 2.659 1.00 73.34 H new ATOM 0 HB2 LEU A 662 -10.762 -4.873 5.034 1.00 30.12 H new ATOM 0 HB3 LEU A 662 -9.773 -5.436 3.701 1.00 30.12 H new ATOM 0 HG LEU A 662 -9.048 -3.175 5.580 1.00 14.00 H new ATOM 0 HD11 LEU A 662 -7.386 -4.806 6.435 1.00 72.55 H new ATOM 0 HD12 LEU A 662 -9.048 -5.404 6.650 1.00 72.55 H new ATOM 0 HD13 LEU A 662 -8.038 -6.039 5.330 1.00 72.55 H new ATOM 0 HD21 LEU A 662 -6.822 -3.358 4.535 1.00 22.11 H new ATOM 0 HD22 LEU A 662 -7.453 -4.585 3.411 1.00 22.11 H new ATOM 0 HD23 LEU A 662 -8.066 -2.915 3.342 1.00 22.11 H new ATOM 1193 N SER A 663 -11.423 -4.883 1.484 1.00 50.32 N ATOM 1194 CA SER A 663 -12.264 -5.725 0.726 1.00 24.40 C ATOM 1195 C SER A 663 -11.524 -7.010 0.451 1.00 75.41 C ATOM 1196 O SER A 663 -10.345 -6.992 0.152 1.00 73.43 O ATOM 1197 CB SER A 663 -12.679 -5.040 -0.580 1.00 55.31 C ATOM 1198 OG SER A 663 -13.375 -3.826 -0.305 1.00 32.32 O ATOM 0 H SER A 663 -10.491 -4.759 1.089 1.00 50.32 H new ATOM 0 HA SER A 663 -13.176 -5.940 1.282 1.00 24.40 H new ATOM 0 HB2 SER A 663 -11.797 -4.832 -1.185 1.00 55.31 H new ATOM 0 HB3 SER A 663 -13.315 -5.707 -1.162 1.00 55.31 H new ATOM 0 HG SER A 663 -13.633 -3.398 -1.148 1.00 32.32 H new ATOM 1204 N TYR A 664 -12.185 -8.097 0.575 1.00 22.11 N ATOM 1205 CA TYR A 664 -11.575 -9.345 0.311 1.00 62.11 C ATOM 1206 C TYR A 664 -12.279 -9.890 -0.901 1.00 71.31 C ATOM 1207 O TYR A 664 -13.484 -10.089 -0.892 1.00 25.11 O ATOM 1208 CB TYR A 664 -11.748 -10.297 1.531 1.00 53.32 C ATOM 1209 CG TYR A 664 -10.912 -11.575 1.509 1.00 44.43 C ATOM 1210 CD1 TYR A 664 -10.509 -12.159 0.321 1.00 53.02 C ATOM 1211 CD2 TYR A 664 -10.537 -12.196 2.694 1.00 22.03 C ATOM 1212 CE1 TYR A 664 -9.763 -13.307 0.297 1.00 60.24 C ATOM 1213 CE2 TYR A 664 -9.785 -13.355 2.677 1.00 71.12 C ATOM 1214 CZ TYR A 664 -9.402 -13.906 1.473 1.00 14.31 C ATOM 1215 OH TYR A 664 -8.642 -15.056 1.444 1.00 31.13 O ATOM 0 H TYR A 664 -13.162 -8.149 0.862 1.00 22.11 H new ATOM 0 HA TYR A 664 -10.503 -9.248 0.137 1.00 62.11 H new ATOM 0 HB2 TYR A 664 -11.503 -9.742 2.437 1.00 53.32 H new ATOM 0 HB3 TYR A 664 -12.799 -10.576 1.602 1.00 53.32 H new ATOM 0 HD1 TYR A 664 -10.791 -11.696 -0.613 1.00 53.02 H new ATOM 0 HD2 TYR A 664 -10.837 -11.768 3.639 1.00 22.03 H new ATOM 0 HE1 TYR A 664 -9.461 -13.738 -0.646 1.00 60.24 H new ATOM 0 HE2 TYR A 664 -9.498 -13.828 3.605 1.00 71.12 H new ATOM 0 HH TYR A 664 -8.469 -15.357 2.360 1.00 31.13 H new ATOM 1225 N TYR A 665 -11.547 -10.096 -1.924 1.00 22.10 N ATOM 1226 CA TYR A 665 -12.071 -10.633 -3.123 1.00 5.20 C ATOM 1227 C TYR A 665 -11.527 -12.012 -3.206 1.00 53.11 C ATOM 1228 O TYR A 665 -10.393 -12.219 -2.812 1.00 43.11 O ATOM 1229 CB TYR A 665 -11.602 -9.794 -4.310 1.00 51.11 C ATOM 1230 CG TYR A 665 -12.269 -10.174 -5.587 1.00 61.55 C ATOM 1231 CD1 TYR A 665 -13.603 -9.898 -5.765 1.00 11.24 C ATOM 1232 CD2 TYR A 665 -11.585 -10.813 -6.605 1.00 52.41 C ATOM 1233 CE1 TYR A 665 -14.253 -10.236 -6.911 1.00 64.11 C ATOM 1234 CE2 TYR A 665 -12.229 -11.160 -7.771 1.00 5.01 C ATOM 1235 CZ TYR A 665 -13.570 -10.869 -7.920 1.00 31.55 C ATOM 1236 OH TYR A 665 -14.230 -11.206 -9.088 1.00 62.33 O ATOM 0 H TYR A 665 -10.548 -9.894 -1.957 1.00 22.10 H new ATOM 0 HA TYR A 665 -13.161 -10.633 -3.138 1.00 5.20 H new ATOM 0 HB2 TYR A 665 -11.796 -8.741 -4.104 1.00 51.11 H new ATOM 0 HB3 TYR A 665 -10.523 -9.904 -4.423 1.00 51.11 H new ATOM 0 HD1 TYR A 665 -14.148 -9.401 -4.976 1.00 11.24 H new ATOM 0 HD2 TYR A 665 -10.536 -11.042 -6.484 1.00 52.41 H new ATOM 0 HE1 TYR A 665 -15.302 -10.007 -7.027 1.00 64.11 H new ATOM 0 HE2 TYR A 665 -11.689 -11.656 -8.564 1.00 5.01 H new ATOM 0 HH TYR A 665 -13.605 -11.647 -9.701 1.00 62.33 H new ATOM 1246 N ASP A 666 -12.314 -12.964 -3.644 1.00 70.34 N ATOM 1247 CA ASP A 666 -11.830 -14.339 -3.705 1.00 65.41 C ATOM 1248 C ASP A 666 -10.529 -14.383 -4.510 1.00 33.52 C ATOM 1249 O ASP A 666 -10.503 -14.036 -5.701 1.00 73.44 O ATOM 1250 CB ASP A 666 -12.889 -15.236 -4.340 1.00 45.10 C ATOM 1251 CG ASP A 666 -12.536 -16.700 -4.272 1.00 23.53 C ATOM 1252 OD1 ASP A 666 -11.865 -17.214 -5.186 1.00 75.25 O ATOM 1253 OD2 ASP A 666 -12.941 -17.371 -3.297 1.00 20.53 O ATOM 0 H ASP A 666 -13.274 -12.827 -3.960 1.00 70.34 H new ATOM 0 HA ASP A 666 -11.633 -14.704 -2.697 1.00 65.41 H new ATOM 0 HB2 ASP A 666 -13.843 -15.074 -3.839 1.00 45.10 H new ATOM 0 HB3 ASP A 666 -13.024 -14.948 -5.383 1.00 45.10 H new ATOM 1258 N GLY A 667 -9.464 -14.791 -3.854 1.00 64.24 N ATOM 1259 CA GLY A 667 -8.175 -14.798 -4.473 1.00 25.52 C ATOM 1260 C GLY A 667 -7.213 -13.745 -3.888 1.00 23.33 C ATOM 1261 O GLY A 667 -6.023 -14.021 -3.743 1.00 62.24 O ATOM 0 H GLY A 667 -9.475 -15.121 -2.889 1.00 64.24 H new ATOM 0 HA2 GLY A 667 -7.731 -15.787 -4.362 1.00 25.52 H new ATOM 0 HA3 GLY A 667 -8.292 -14.620 -5.542 1.00 25.52 H new ATOM 1265 N MET A 668 -7.714 -12.537 -3.566 1.00 74.34 N ATOM 1266 CA MET A 668 -6.843 -11.445 -3.053 1.00 60.22 C ATOM 1267 C MET A 668 -7.606 -10.398 -2.237 1.00 2.22 C ATOM 1268 O MET A 668 -8.772 -10.118 -2.486 1.00 23.43 O ATOM 1269 CB MET A 668 -6.115 -10.742 -4.200 1.00 61.31 C ATOM 1270 CG MET A 668 -7.068 -10.156 -5.249 1.00 14.55 C ATOM 1271 SD MET A 668 -6.233 -9.447 -6.683 1.00 23.43 S ATOM 1272 CE MET A 668 -5.381 -10.882 -7.338 1.00 72.20 C ATOM 0 H MET A 668 -8.700 -12.288 -3.648 1.00 74.34 H new ATOM 0 HA MET A 668 -6.126 -11.928 -2.390 1.00 60.22 H new ATOM 0 HB2 MET A 668 -5.496 -9.942 -3.793 1.00 61.31 H new ATOM 0 HB3 MET A 668 -5.443 -11.451 -4.684 1.00 61.31 H new ATOM 0 HG2 MET A 668 -7.746 -10.939 -5.587 1.00 14.55 H new ATOM 0 HG3 MET A 668 -7.679 -9.385 -4.780 1.00 14.55 H new ATOM 0 HE1 MET A 668 -5.030 -10.667 -8.347 1.00 72.20 H new ATOM 0 HE2 MET A 668 -4.530 -11.122 -6.701 1.00 72.20 H new ATOM 0 HE3 MET A 668 -6.065 -11.730 -7.365 1.00 72.20 H new ATOM 1282 N ILE A 669 -6.930 -9.807 -1.290 1.00 72.10 N ATOM 1283 CA ILE A 669 -7.501 -8.737 -0.501 1.00 71.52 C ATOM 1284 C ILE A 669 -7.175 -7.407 -1.204 1.00 41.13 C ATOM 1285 O ILE A 669 -6.099 -7.255 -1.755 1.00 24.53 O ATOM 1286 CB ILE A 669 -6.980 -8.710 1.004 1.00 22.21 C ATOM 1287 CG1 ILE A 669 -7.348 -9.997 1.798 1.00 73.45 C ATOM 1288 CG2 ILE A 669 -7.491 -7.485 1.756 1.00 52.22 C ATOM 1289 CD1 ILE A 669 -6.601 -11.256 1.392 1.00 4.24 C ATOM 0 H ILE A 669 -5.971 -10.048 -1.040 1.00 72.10 H new ATOM 0 HA ILE A 669 -8.577 -8.900 -0.435 1.00 71.52 H new ATOM 0 HB ILE A 669 -5.893 -8.661 0.934 1.00 22.21 H new ATOM 0 HG12 ILE A 669 -7.165 -9.814 2.857 1.00 73.45 H new ATOM 0 HG13 ILE A 669 -8.417 -10.178 1.686 1.00 73.45 H new ATOM 0 HG21 ILE A 669 -7.114 -7.502 2.779 1.00 52.22 H new ATOM 0 HG22 ILE A 669 -7.144 -6.580 1.257 1.00 52.22 H new ATOM 0 HG23 ILE A 669 -8.581 -7.496 1.771 1.00 52.22 H new ATOM 0 HD11 ILE A 669 -6.934 -12.091 2.008 1.00 4.24 H new ATOM 0 HD12 ILE A 669 -6.801 -11.476 0.343 1.00 4.24 H new ATOM 0 HD13 ILE A 669 -5.531 -11.105 1.533 1.00 4.24 H new ATOM 1296 N GLN A 670 -8.112 -6.500 -1.242 1.00 61.14 N ATOM 1297 CA GLN A 670 -7.922 -5.197 -1.858 1.00 73.10 C ATOM 1298 C GLN A 670 -8.451 -4.099 -0.944 1.00 23.21 C ATOM 1299 O GLN A 670 -9.469 -4.270 -0.298 1.00 72.13 O ATOM 1300 CB GLN A 670 -8.607 -5.134 -3.235 1.00 72.11 C ATOM 1301 CG GLN A 670 -7.940 -5.989 -4.319 1.00 42.21 C ATOM 1302 CD GLN A 670 -8.737 -6.058 -5.608 1.00 55.30 C ATOM 1303 OE1 GLN A 670 -8.681 -7.046 -6.332 1.00 73.43 O ATOM 1304 NE2 GLN A 670 -9.484 -5.030 -5.906 1.00 74.50 N ATOM 0 H GLN A 670 -9.041 -6.637 -0.845 1.00 61.14 H new ATOM 0 HA GLN A 670 -6.854 -5.041 -2.007 1.00 73.10 H new ATOM 0 HB2 GLN A 670 -9.643 -5.453 -3.126 1.00 72.11 H new ATOM 0 HB3 GLN A 670 -8.626 -4.097 -3.570 1.00 72.11 H new ATOM 0 HG2 GLN A 670 -6.951 -5.584 -4.533 1.00 42.21 H new ATOM 0 HG3 GLN A 670 -7.794 -6.999 -3.936 1.00 42.21 H new ATOM 0 HE21 GLN A 670 -9.511 -4.222 -5.284 1.00 74.50 H new ATOM 0 HE22 GLN A 670 -10.041 -5.035 -6.760 1.00 74.50 H new ATOM 1312 N LEU A 671 -7.755 -3.000 -0.880 1.00 21.03 N ATOM 1313 CA LEU A 671 -8.177 -1.881 -0.057 1.00 21.33 C ATOM 1314 C LEU A 671 -8.385 -0.695 -0.983 1.00 23.53 C ATOM 1315 O LEU A 671 -7.484 -0.337 -1.750 1.00 35.13 O ATOM 1316 CB LEU A 671 -7.082 -1.567 1.014 1.00 0.42 C ATOM 1317 CG LEU A 671 -7.441 -0.625 2.215 1.00 21.14 C ATOM 1318 CD1 LEU A 671 -6.259 -0.499 3.153 1.00 10.40 C ATOM 1319 CD2 LEU A 671 -7.875 0.756 1.776 1.00 43.55 C ATOM 0 H LEU A 671 -6.885 -2.846 -1.389 1.00 21.03 H new ATOM 0 HA LEU A 671 -9.101 -2.109 0.475 1.00 21.33 H new ATOM 0 HB2 LEU A 671 -6.747 -2.517 1.430 1.00 0.42 H new ATOM 0 HB3 LEU A 671 -6.230 -1.128 0.495 1.00 0.42 H new ATOM 0 HG LEU A 671 -8.286 -1.087 2.726 1.00 21.14 H new ATOM 0 HD11 LEU A 671 -6.521 0.158 3.983 1.00 10.40 H new ATOM 0 HD12 LEU A 671 -5.994 -1.483 3.539 1.00 10.40 H new ATOM 0 HD13 LEU A 671 -5.409 -0.080 2.614 1.00 10.40 H new ATOM 0 HD21 LEU A 671 -8.110 1.360 2.653 1.00 43.55 H new ATOM 0 HD22 LEU A 671 -7.069 1.229 1.215 1.00 43.55 H new ATOM 0 HD23 LEU A 671 -8.759 0.676 1.144 1.00 43.55 H new ATOM 1327 N THR A 672 -9.550 -0.110 -0.921 1.00 5.14 N ATOM 1328 CA THR A 672 -9.882 1.021 -1.749 1.00 14.30 C ATOM 1329 C THR A 672 -9.828 2.297 -0.911 1.00 72.14 C ATOM 1330 O THR A 672 -10.400 2.349 0.160 1.00 44.43 O ATOM 1331 CB THR A 672 -11.322 0.871 -2.305 1.00 1.34 C ATOM 1332 OG1 THR A 672 -11.474 -0.417 -2.933 1.00 64.21 O ATOM 1333 CG2 THR A 672 -11.619 1.961 -3.330 1.00 43.43 C ATOM 0 H THR A 672 -10.299 -0.404 -0.294 1.00 5.14 H new ATOM 0 HA THR A 672 -9.169 1.071 -2.572 1.00 14.30 H new ATOM 0 HB THR A 672 -12.020 0.963 -1.473 1.00 1.34 H new ATOM 0 HG1 THR A 672 -12.386 -0.506 -3.280 1.00 64.21 H new ATOM 0 HG21 THR A 672 -12.634 1.838 -3.708 1.00 43.43 H new ATOM 0 HG22 THR A 672 -11.523 2.939 -2.859 1.00 43.43 H new ATOM 0 HG23 THR A 672 -10.912 1.885 -4.157 1.00 43.43 H new ATOM 1339 N TYR A 673 -9.120 3.292 -1.365 1.00 31.12 N ATOM 1340 CA TYR A 673 -9.119 4.566 -0.688 1.00 21.14 C ATOM 1341 C TYR A 673 -10.099 5.540 -1.289 1.00 71.14 C ATOM 1342 O TYR A 673 -10.653 5.292 -2.365 1.00 52.00 O ATOM 1343 CB TYR A 673 -7.723 5.158 -0.509 1.00 73.12 C ATOM 1344 CG TYR A 673 -7.016 4.588 0.688 1.00 54.34 C ATOM 1345 CD1 TYR A 673 -7.412 4.980 1.938 1.00 71.01 C ATOM 1346 CD2 TYR A 673 -5.987 3.659 0.586 1.00 1.54 C ATOM 1347 CE1 TYR A 673 -6.841 4.481 3.066 1.00 31.33 C ATOM 1348 CE2 TYR A 673 -5.389 3.149 1.738 1.00 23.22 C ATOM 1349 CZ TYR A 673 -5.843 3.577 2.980 1.00 51.21 C ATOM 1350 OH TYR A 673 -5.310 3.078 4.134 1.00 72.21 O ATOM 0 H TYR A 673 -8.535 3.250 -2.200 1.00 31.12 H new ATOM 0 HA TYR A 673 -9.473 4.363 0.323 1.00 21.14 H new ATOM 0 HB2 TYR A 673 -7.131 4.967 -1.404 1.00 73.12 H new ATOM 0 HB3 TYR A 673 -7.800 6.240 -0.403 1.00 73.12 H new ATOM 0 HD1 TYR A 673 -8.203 5.709 2.031 1.00 71.01 H new ATOM 0 HD2 TYR A 673 -5.650 3.332 -0.387 1.00 1.54 H new ATOM 0 HE1 TYR A 673 -7.187 4.809 4.035 1.00 31.33 H new ATOM 0 HE2 TYR A 673 -4.585 2.432 1.666 1.00 23.22 H new ATOM 0 HH TYR A 673 -4.399 2.760 3.963 1.00 72.21 H new ATOM 1360 N ARG A 674 -10.320 6.643 -0.587 1.00 21.31 N ATOM 1361 CA ARG A 674 -11.318 7.622 -0.988 1.00 42.23 C ATOM 1362 C ARG A 674 -10.923 8.385 -2.243 1.00 22.44 C ATOM 1363 O ARG A 674 -9.822 8.238 -2.756 1.00 24.45 O ATOM 1364 CB ARG A 674 -11.630 8.608 0.140 1.00 25.31 C ATOM 1365 CG ARG A 674 -12.169 7.975 1.421 1.00 0.43 C ATOM 1366 CD ARG A 674 -13.448 7.177 1.179 1.00 51.52 C ATOM 1367 NE ARG A 674 -14.001 6.638 2.429 1.00 22.31 N ATOM 1368 CZ ARG A 674 -14.963 5.707 2.513 1.00 34.50 C ATOM 1369 NH1 ARG A 674 -15.435 5.116 1.425 1.00 65.04 N ATOM 1370 NH2 ARG A 674 -15.438 5.354 3.697 1.00 43.24 N ATOM 0 H ARG A 674 -9.818 6.882 0.268 1.00 21.31 H new ATOM 0 HA ARG A 674 -12.217 7.049 -1.215 1.00 42.23 H new ATOM 0 HB2 ARG A 674 -10.722 9.161 0.380 1.00 25.31 H new ATOM 0 HB3 ARG A 674 -12.358 9.333 -0.223 1.00 25.31 H new ATOM 0 HG2 ARG A 674 -11.410 7.320 1.847 1.00 0.43 H new ATOM 0 HG3 ARG A 674 -12.364 8.756 2.155 1.00 0.43 H new ATOM 0 HD2 ARG A 674 -14.190 7.816 0.700 1.00 51.52 H new ATOM 0 HD3 ARG A 674 -13.240 6.358 0.491 1.00 51.52 H new ATOM 0 HE ARG A 674 -13.623 7.001 3.304 1.00 22.31 H new ATOM 0 HH11 ARG A 674 -15.067 5.367 0.508 1.00 65.04 H new ATOM 0 HH12 ARG A 674 -16.167 4.410 1.505 1.00 65.04 H new ATOM 0 HH21 ARG A 674 -15.073 5.790 4.544 1.00 43.24 H new ATOM 0 HH22 ARG A 674 -16.170 4.646 3.763 1.00 43.24 H new ATOM 1382 N ASP A 675 -11.840 9.224 -2.678 1.00 2.54 N ATOM 1383 CA ASP A 675 -11.739 10.038 -3.896 1.00 10.23 C ATOM 1384 C ASP A 675 -10.469 10.909 -3.949 1.00 74.45 C ATOM 1385 O ASP A 675 -9.885 11.088 -5.002 1.00 51.14 O ATOM 1386 CB ASP A 675 -12.992 10.914 -4.004 1.00 12.34 C ATOM 1387 CG ASP A 675 -13.183 11.817 -2.812 1.00 23.10 C ATOM 1388 OD1 ASP A 675 -13.605 11.324 -1.743 1.00 73.13 O ATOM 1389 OD2 ASP A 675 -12.915 13.023 -2.917 1.00 30.20 O ATOM 0 H ASP A 675 -12.717 9.372 -2.179 1.00 2.54 H new ATOM 0 HA ASP A 675 -11.666 9.357 -4.744 1.00 10.23 H new ATOM 0 HB2 ASP A 675 -12.927 11.522 -4.907 1.00 12.34 H new ATOM 0 HB3 ASP A 675 -13.868 10.274 -4.112 1.00 12.34 H new ATOM 1394 N GLY A 676 -10.080 11.463 -2.821 1.00 55.32 N ATOM 1395 CA GLY A 676 -8.831 12.204 -2.742 1.00 61.25 C ATOM 1396 C GLY A 676 -8.801 13.472 -3.597 1.00 24.11 C ATOM 1397 O GLY A 676 -9.613 14.390 -3.401 1.00 62.50 O ATOM 0 H GLY A 676 -10.605 11.417 -1.948 1.00 55.32 H new ATOM 0 HA2 GLY A 676 -8.647 12.475 -1.702 1.00 61.25 H new ATOM 0 HA3 GLY A 676 -8.014 11.552 -3.050 1.00 61.25 H new ATOM 1401 N THR A 677 -7.871 13.531 -4.518 1.00 23.23 N ATOM 1402 CA THR A 677 -7.727 14.662 -5.395 1.00 60.21 C ATOM 1403 C THR A 677 -7.851 14.226 -6.867 1.00 53.20 C ATOM 1404 O THR A 677 -7.124 13.343 -7.316 1.00 20.04 O ATOM 1405 CB THR A 677 -6.381 15.397 -5.149 1.00 1.23 C ATOM 1406 OG1 THR A 677 -6.385 15.970 -3.824 1.00 62.41 O ATOM 1407 CG2 THR A 677 -6.135 16.500 -6.176 1.00 22.22 C ATOM 0 H THR A 677 -7.189 12.790 -4.680 1.00 23.23 H new ATOM 0 HA THR A 677 -8.533 15.362 -5.175 1.00 60.21 H new ATOM 0 HB THR A 677 -5.579 14.665 -5.247 1.00 1.23 H new ATOM 0 HG1 THR A 677 -5.536 16.433 -3.665 1.00 62.41 H new ATOM 0 HG21 THR A 677 -5.183 16.987 -5.966 1.00 22.22 H new ATOM 0 HG22 THR A 677 -6.108 16.067 -7.176 1.00 22.22 H new ATOM 0 HG23 THR A 677 -6.938 17.235 -6.121 1.00 22.22 H new ATOM 1413 N PRO A 678 -8.775 14.828 -7.627 1.00 1.51 N ATOM 1414 CA PRO A 678 -9.007 14.480 -9.015 1.00 63.43 C ATOM 1415 C PRO A 678 -7.948 15.024 -9.965 1.00 2.12 C ATOM 1416 O PRO A 678 -7.229 15.986 -9.644 1.00 5.34 O ATOM 1417 CB PRO A 678 -10.367 15.088 -9.322 1.00 22.30 C ATOM 1418 CG PRO A 678 -10.393 16.309 -8.480 1.00 65.05 C ATOM 1419 CD PRO A 678 -9.687 15.921 -7.197 1.00 15.34 C ATOM 0 HA PRO A 678 -8.965 13.400 -9.158 1.00 63.43 H new ATOM 0 HB2 PRO A 678 -10.471 15.327 -10.380 1.00 22.30 H new ATOM 0 HB3 PRO A 678 -11.179 14.407 -9.068 1.00 22.30 H new ATOM 0 HG2 PRO A 678 -9.886 17.138 -8.973 1.00 65.05 H new ATOM 0 HG3 PRO A 678 -11.416 16.631 -8.285 1.00 65.05 H new ATOM 0 HD2 PRO A 678 -9.137 16.760 -6.771 1.00 15.34 H new ATOM 0 HD3 PRO A 678 -10.391 15.582 -6.437 1.00 15.34 H new ATOM 1427 N TYR A 679 -7.814 14.350 -11.100 1.00 53.34 N ATOM 1428 CA TYR A 679 -6.925 14.772 -12.199 1.00 2.53 C ATOM 1429 C TYR A 679 -7.270 16.198 -12.655 1.00 13.23 C ATOM 1430 O TYR A 679 -8.256 16.810 -12.220 1.00 24.44 O ATOM 1431 CB TYR A 679 -7.137 13.909 -13.459 1.00 64.30 C ATOM 1432 CG TYR A 679 -6.836 12.437 -13.416 1.00 71.51 C ATOM 1433 CD1 TYR A 679 -7.643 11.560 -12.726 1.00 52.22 C ATOM 1434 CD2 TYR A 679 -5.778 11.917 -14.143 1.00 71.31 C ATOM 1435 CE1 TYR A 679 -7.414 10.212 -12.752 1.00 11.25 C ATOM 1436 CE2 TYR A 679 -5.533 10.567 -14.165 1.00 62.02 C ATOM 1437 CZ TYR A 679 -6.361 9.720 -13.467 1.00 24.10 C ATOM 1438 OH TYR A 679 -6.151 8.382 -13.511 1.00 23.44 O ATOM 0 H TYR A 679 -8.320 13.486 -11.295 1.00 53.34 H new ATOM 0 HA TYR A 679 -5.910 14.685 -11.811 1.00 2.53 H new ATOM 0 HB2 TYR A 679 -8.180 14.019 -13.757 1.00 64.30 H new ATOM 0 HB3 TYR A 679 -6.531 14.342 -14.255 1.00 64.30 H new ATOM 0 HD1 TYR A 679 -8.474 11.945 -12.153 1.00 52.22 H new ATOM 0 HD2 TYR A 679 -5.137 12.584 -14.701 1.00 71.31 H new ATOM 0 HE1 TYR A 679 -8.063 9.540 -12.210 1.00 11.25 H new ATOM 0 HE2 TYR A 679 -4.698 10.174 -14.725 1.00 62.02 H new ATOM 0 HH TYR A 679 -5.412 8.187 -14.125 1.00 23.44 H new ATOM 1533 N THR A 685 -11.718 13.536 -12.479 1.00 54.21 N ATOM 1534 CA THR A 685 -11.760 12.188 -11.998 1.00 34.44 C ATOM 1535 C THR A 685 -10.905 12.030 -10.737 1.00 44.41 C ATOM 1536 O THR A 685 -9.707 12.294 -10.769 1.00 64.23 O ATOM 1537 CB THR A 685 -11.241 11.241 -13.085 1.00 40.32 C ATOM 1538 OG1 THR A 685 -12.031 11.405 -14.278 1.00 72.31 O ATOM 1539 CG2 THR A 685 -11.317 9.813 -12.610 1.00 10.21 C ATOM 0 HA THR A 685 -12.793 11.942 -11.750 1.00 34.44 H new ATOM 0 HB THR A 685 -10.200 11.480 -13.303 1.00 40.32 H new ATOM 0 HG1 THR A 685 -12.283 12.347 -14.376 1.00 72.31 H new ATOM 0 HG21 THR A 685 -10.946 9.150 -13.391 1.00 10.21 H new ATOM 0 HG22 THR A 685 -10.708 9.695 -11.714 1.00 10.21 H new ATOM 0 HG23 THR A 685 -12.352 9.560 -12.381 1.00 10.21 H new ATOM 1545 N PRO A 686 -11.514 11.619 -9.616 1.00 42.01 N ATOM 1546 CA PRO A 686 -10.807 11.433 -8.345 1.00 45.34 C ATOM 1547 C PRO A 686 -9.750 10.324 -8.407 1.00 33.23 C ATOM 1548 O PRO A 686 -10.064 9.155 -8.710 1.00 61.11 O ATOM 1549 CB PRO A 686 -11.918 11.043 -7.363 1.00 20.41 C ATOM 1550 CG PRO A 686 -13.040 10.556 -8.203 1.00 71.01 C ATOM 1551 CD PRO A 686 -12.949 11.302 -9.495 1.00 72.53 C ATOM 0 HA PRO A 686 -10.260 12.333 -8.063 1.00 45.34 H new ATOM 0 HB2 PRO A 686 -11.579 10.269 -6.675 1.00 20.41 H new ATOM 0 HB3 PRO A 686 -12.223 11.896 -6.757 1.00 20.41 H new ATOM 0 HG2 PRO A 686 -12.964 9.481 -8.368 1.00 71.01 H new ATOM 0 HG3 PRO A 686 -13.998 10.737 -7.716 1.00 71.01 H new ATOM 0 HD2 PRO A 686 -13.297 10.697 -10.332 1.00 72.53 H new ATOM 0 HD3 PRO A 686 -13.559 12.205 -9.479 1.00 72.53 H new ATOM 1559 N ARG A 687 -8.506 10.694 -8.137 1.00 14.25 N ATOM 1560 CA ARG A 687 -7.423 9.739 -8.081 1.00 75.21 C ATOM 1561 C ARG A 687 -7.537 8.973 -6.792 1.00 13.22 C ATOM 1562 O ARG A 687 -7.509 9.564 -5.713 1.00 30.33 O ATOM 1563 CB ARG A 687 -6.066 10.444 -8.102 1.00 72.24 C ATOM 1564 CG ARG A 687 -5.710 11.189 -9.377 1.00 50.14 C ATOM 1565 CD ARG A 687 -4.413 11.947 -9.155 1.00 14.52 C ATOM 1566 NE ARG A 687 -3.891 12.628 -10.351 1.00 15.11 N ATOM 1567 CZ ARG A 687 -3.573 13.938 -10.388 1.00 12.15 C ATOM 1568 NH1 ARG A 687 -4.067 14.771 -9.475 1.00 63.45 N ATOM 1569 NH2 ARG A 687 -2.818 14.419 -11.372 1.00 52.31 N ATOM 0 H ARG A 687 -8.227 11.658 -7.953 1.00 14.25 H new ATOM 0 HA ARG A 687 -7.490 9.080 -8.947 1.00 75.21 H new ATOM 0 HB2 ARG A 687 -6.036 11.152 -7.273 1.00 72.24 H new ATOM 0 HB3 ARG A 687 -5.292 9.700 -7.914 1.00 72.24 H new ATOM 0 HG2 ARG A 687 -5.601 10.489 -10.205 1.00 50.14 H new ATOM 0 HG3 ARG A 687 -6.509 11.879 -9.646 1.00 50.14 H new ATOM 0 HD2 ARG A 687 -4.569 12.687 -8.370 1.00 14.52 H new ATOM 0 HD3 ARG A 687 -3.658 11.251 -8.790 1.00 14.52 H new ATOM 0 HE ARG A 687 -3.762 12.078 -11.200 1.00 15.11 H new ATOM 0 HH11 ARG A 687 -4.687 14.419 -8.746 1.00 63.45 H new ATOM 0 HH12 ARG A 687 -3.825 15.762 -9.505 1.00 63.45 H new ATOM 0 HH21 ARG A 687 -2.476 13.796 -12.104 1.00 52.31 H new ATOM 0 HH22 ARG A 687 -2.581 15.411 -11.395 1.00 52.31 H new ATOM 1581 N ALA A 688 -7.631 7.687 -6.887 1.00 54.31 N ATOM 1582 CA ALA A 688 -7.794 6.879 -5.714 1.00 72.04 C ATOM 1583 C ALA A 688 -6.756 5.798 -5.712 1.00 33.51 C ATOM 1584 O ALA A 688 -6.091 5.578 -6.723 1.00 51.41 O ATOM 1585 CB ALA A 688 -9.200 6.284 -5.668 1.00 15.04 C ATOM 0 H ALA A 688 -7.598 7.169 -7.765 1.00 54.31 H new ATOM 0 HA ALA A 688 -7.665 7.497 -4.825 1.00 72.04 H new ATOM 0 HB1 ALA A 688 -9.308 5.673 -4.772 1.00 15.04 H new ATOM 0 HB2 ALA A 688 -9.935 7.089 -5.649 1.00 15.04 H new ATOM 0 HB3 ALA A 688 -9.362 5.665 -6.550 1.00 15.04 H new ATOM 1591 N THR A 689 -6.592 5.155 -4.598 1.00 72.35 N ATOM 1592 CA THR A 689 -5.621 4.111 -4.459 1.00 52.25 C ATOM 1593 C THR A 689 -6.307 2.788 -4.170 1.00 13.55 C ATOM 1594 O THR A 689 -7.241 2.721 -3.363 1.00 52.42 O ATOM 1595 CB THR A 689 -4.633 4.448 -3.324 1.00 43.32 C ATOM 1596 OG1 THR A 689 -4.020 5.697 -3.610 1.00 35.24 O ATOM 1597 CG2 THR A 689 -3.550 3.389 -3.189 1.00 12.12 C ATOM 0 H THR A 689 -7.131 5.340 -3.752 1.00 72.35 H new ATOM 0 HA THR A 689 -5.069 4.025 -5.395 1.00 52.25 H new ATOM 0 HB THR A 689 -5.188 4.487 -2.387 1.00 43.32 H new ATOM 0 HG1 THR A 689 -4.644 6.423 -3.401 1.00 35.24 H new ATOM 0 HG21 THR A 689 -2.873 3.662 -2.379 1.00 12.12 H new ATOM 0 HG22 THR A 689 -4.009 2.425 -2.969 1.00 12.12 H new ATOM 0 HG23 THR A 689 -2.990 3.320 -4.122 1.00 12.12 H new ATOM 1603 N LEU A 690 -5.870 1.765 -4.845 1.00 44.01 N ATOM 1604 CA LEU A 690 -6.363 0.449 -4.654 1.00 41.32 C ATOM 1605 C LEU A 690 -5.153 -0.411 -4.345 1.00 13.11 C ATOM 1606 O LEU A 690 -4.254 -0.574 -5.178 1.00 65.21 O ATOM 1607 CB LEU A 690 -7.089 -0.034 -5.941 1.00 43.33 C ATOM 1608 CG LEU A 690 -7.942 -1.339 -5.882 1.00 62.52 C ATOM 1609 CD1 LEU A 690 -7.128 -2.569 -5.538 1.00 30.23 C ATOM 1610 CD2 LEU A 690 -9.095 -1.181 -4.916 1.00 35.30 C ATOM 0 H LEU A 690 -5.144 1.833 -5.558 1.00 44.01 H new ATOM 0 HA LEU A 690 -7.089 0.395 -3.843 1.00 41.32 H new ATOM 0 HB2 LEU A 690 -7.743 0.772 -6.272 1.00 43.33 H new ATOM 0 HB3 LEU A 690 -6.333 -0.169 -6.714 1.00 43.33 H new ATOM 0 HG LEU A 690 -8.333 -1.495 -6.887 1.00 62.52 H new ATOM 0 HD11 LEU A 690 -7.780 -3.442 -5.513 1.00 30.23 H new ATOM 0 HD12 LEU A 690 -6.354 -2.716 -6.292 1.00 30.23 H new ATOM 0 HD13 LEU A 690 -6.663 -2.436 -4.561 1.00 30.23 H new ATOM 0 HD21 LEU A 690 -9.677 -2.102 -4.890 1.00 35.30 H new ATOM 0 HD22 LEU A 690 -8.708 -0.968 -3.919 1.00 35.30 H new ATOM 0 HD23 LEU A 690 -9.732 -0.359 -5.241 1.00 35.30 H new ATOM 1618 N ILE A 691 -5.114 -0.939 -3.174 1.00 71.23 N ATOM 1619 CA ILE A 691 -4.004 -1.749 -2.767 1.00 23.32 C ATOM 1620 C ILE A 691 -4.417 -3.192 -2.863 1.00 65.23 C ATOM 1621 O ILE A 691 -5.406 -3.596 -2.273 1.00 22.45 O ATOM 1622 CB ILE A 691 -3.566 -1.412 -1.322 1.00 73.44 C ATOM 1623 CG1 ILE A 691 -3.229 0.083 -1.217 1.00 24.42 C ATOM 1624 CG2 ILE A 691 -2.348 -2.254 -0.932 1.00 33.10 C ATOM 1625 CD1 ILE A 691 -2.902 0.551 0.187 1.00 71.05 C ATOM 0 H ILE A 691 -5.842 -0.827 -2.469 1.00 71.23 H new ATOM 0 HA ILE A 691 -3.153 -1.553 -3.419 1.00 23.32 H new ATOM 0 HB ILE A 691 -4.384 -1.642 -0.639 1.00 73.44 H new ATOM 0 HG12 ILE A 691 -2.380 0.299 -1.866 1.00 24.42 H new ATOM 0 HG13 ILE A 691 -4.073 0.661 -1.593 1.00 24.42 H new ATOM 0 HG21 ILE A 691 -2.048 -2.009 0.087 1.00 33.10 H new ATOM 0 HG22 ILE A 691 -2.603 -3.312 -0.991 1.00 33.10 H new ATOM 0 HG23 ILE A 691 -1.525 -2.041 -1.614 1.00 33.10 H new ATOM 0 HD11 ILE A 691 -2.676 1.617 0.172 1.00 71.05 H new ATOM 0 HD12 ILE A 691 -3.757 0.370 0.839 1.00 71.05 H new ATOM 0 HD13 ILE A 691 -2.038 0.002 0.561 1.00 71.05 H new ATOM 1632 N THR A 692 -3.694 -3.936 -3.634 1.00 2.52 N ATOM 1633 CA THR A 692 -3.978 -5.314 -3.869 1.00 14.00 C ATOM 1634 C THR A 692 -2.988 -6.162 -3.089 1.00 35.31 C ATOM 1635 O THR A 692 -1.791 -6.005 -3.237 1.00 42.43 O ATOM 1636 CB THR A 692 -3.802 -5.585 -5.344 1.00 52.21 C ATOM 1637 OG1 THR A 692 -4.549 -4.596 -6.081 1.00 64.53 O ATOM 1638 CG2 THR A 692 -4.297 -6.962 -5.708 1.00 3.13 C ATOM 0 H THR A 692 -2.870 -3.595 -4.130 1.00 2.52 H new ATOM 0 HA THR A 692 -4.994 -5.554 -3.555 1.00 14.00 H new ATOM 0 HB THR A 692 -2.742 -5.532 -5.591 1.00 52.21 H new ATOM 0 HG1 THR A 692 -4.444 -4.756 -7.042 1.00 64.53 H new ATOM 0 HG21 THR A 692 -4.157 -7.128 -6.776 1.00 3.13 H new ATOM 0 HG22 THR A 692 -3.736 -7.710 -5.148 1.00 3.13 H new ATOM 0 HG23 THR A 692 -5.356 -7.044 -5.463 1.00 3.13 H new ATOM 1644 N PHE A 693 -3.488 -7.037 -2.285 1.00 22.24 N ATOM 1645 CA PHE A 693 -2.682 -7.860 -1.424 1.00 14.22 C ATOM 1646 C PHE A 693 -2.542 -9.247 -1.992 1.00 32.44 C ATOM 1647 O PHE A 693 -3.538 -9.920 -2.270 1.00 41.20 O ATOM 1648 CB PHE A 693 -3.340 -7.934 -0.074 1.00 13.31 C ATOM 1649 CG PHE A 693 -3.450 -6.586 0.624 1.00 52.41 C ATOM 1650 CD1 PHE A 693 -4.437 -5.682 0.278 1.00 24.41 C ATOM 1651 CD2 PHE A 693 -2.574 -6.241 1.636 1.00 23.12 C ATOM 1652 CE1 PHE A 693 -4.549 -4.477 0.916 1.00 4.31 C ATOM 1653 CE2 PHE A 693 -2.680 -5.029 2.275 1.00 52.15 C ATOM 1654 CZ PHE A 693 -3.671 -4.150 1.913 1.00 15.22 C ATOM 0 H PHE A 693 -4.490 -7.210 -2.200 1.00 22.24 H new ATOM 0 HA PHE A 693 -1.687 -7.422 -1.338 1.00 14.22 H new ATOM 0 HB2 PHE A 693 -4.338 -8.357 -0.188 1.00 13.31 H new ATOM 0 HB3 PHE A 693 -2.774 -8.617 0.560 1.00 13.31 H new ATOM 0 HD1 PHE A 693 -5.132 -5.931 -0.510 1.00 24.41 H new ATOM 0 HD2 PHE A 693 -1.797 -6.932 1.928 1.00 23.12 H new ATOM 0 HE1 PHE A 693 -5.329 -3.785 0.633 1.00 4.31 H new ATOM 0 HE2 PHE A 693 -1.986 -4.768 3.060 1.00 52.15 H new ATOM 0 HZ PHE A 693 -3.757 -3.198 2.416 1.00 15.22 H new ATOM 1664 N LEU A 694 -1.321 -9.670 -2.152 1.00 74.40 N ATOM 1665 CA LEU A 694 -1.018 -10.959 -2.717 1.00 14.23 C ATOM 1666 C LEU A 694 -0.362 -11.842 -1.693 1.00 42.41 C ATOM 1667 O LEU A 694 0.347 -11.360 -0.790 1.00 65.24 O ATOM 1668 CB LEU A 694 -0.100 -10.839 -3.953 1.00 5.04 C ATOM 1669 CG LEU A 694 -0.668 -10.177 -5.228 1.00 23.41 C ATOM 1670 CD1 LEU A 694 -1.875 -10.934 -5.751 1.00 2.52 C ATOM 1671 CD2 LEU A 694 -1.015 -8.721 -5.015 1.00 23.20 C ATOM 0 H LEU A 694 -0.498 -9.127 -1.892 1.00 74.40 H new ATOM 0 HA LEU A 694 -1.962 -11.403 -3.032 1.00 14.23 H new ATOM 0 HB2 LEU A 694 0.787 -10.279 -3.655 1.00 5.04 H new ATOM 0 HB3 LEU A 694 0.231 -11.843 -4.219 1.00 5.04 H new ATOM 0 HG LEU A 694 0.123 -10.220 -5.976 1.00 23.41 H new ATOM 0 HD11 LEU A 694 -2.251 -10.443 -6.649 1.00 2.52 H new ATOM 0 HD12 LEU A 694 -1.587 -11.957 -5.991 1.00 2.52 H new ATOM 0 HD13 LEU A 694 -2.655 -10.946 -4.990 1.00 2.52 H new ATOM 0 HD21 LEU A 694 -1.410 -8.302 -5.940 1.00 23.20 H new ATOM 0 HD22 LEU A 694 -1.766 -8.637 -4.229 1.00 23.20 H new ATOM 0 HD23 LEU A 694 -0.120 -8.173 -4.721 1.00 23.20 H new ATOM 1679 N CYS A 695 -0.587 -13.112 -1.838 1.00 72.23 N ATOM 1680 CA CYS A 695 -0.048 -14.101 -0.960 1.00 22.10 C ATOM 1681 C CYS A 695 1.339 -14.491 -1.405 1.00 73.30 C ATOM 1682 O CYS A 695 1.512 -15.194 -2.408 1.00 50.02 O ATOM 1683 CB CYS A 695 -0.960 -15.337 -0.923 1.00 2.12 C ATOM 1684 SG CYS A 695 -0.329 -16.747 0.062 1.00 31.31 S ATOM 0 H CYS A 695 -1.163 -13.496 -2.587 1.00 72.23 H new ATOM 0 HA CYS A 695 0.010 -13.681 0.044 1.00 22.10 H new ATOM 0 HB2 CYS A 695 -1.930 -15.041 -0.523 1.00 2.12 H new ATOM 0 HB3 CYS A 695 -1.127 -15.675 -1.946 1.00 2.12 H new ATOM 1745 N GLY A 700 6.705 -10.802 4.889 1.00 52.22 N ATOM 1746 CA GLY A 700 6.506 -10.540 6.275 1.00 30.02 C ATOM 1747 C GLY A 700 5.303 -9.687 6.430 1.00 10.11 C ATOM 1748 O GLY A 700 4.194 -10.100 6.047 1.00 61.41 O ATOM 0 HA2 GLY A 700 6.380 -11.474 6.822 1.00 30.02 H new ATOM 0 HA3 GLY A 700 7.380 -10.041 6.694 1.00 30.02 H new ATOM 1752 N VAL A 701 5.504 -8.484 6.926 1.00 15.44 N ATOM 1753 CA VAL A 701 4.428 -7.529 7.053 1.00 71.32 C ATOM 1754 C VAL A 701 3.958 -7.156 5.649 1.00 22.15 C ATOM 1755 O VAL A 701 2.770 -6.921 5.396 1.00 53.33 O ATOM 1756 CB VAL A 701 4.877 -6.265 7.852 1.00 71.15 C ATOM 1757 CG1 VAL A 701 5.945 -5.441 7.125 1.00 64.31 C ATOM 1758 CG2 VAL A 701 3.694 -5.418 8.274 1.00 23.11 C ATOM 0 H VAL A 701 6.410 -8.145 7.249 1.00 15.44 H new ATOM 0 HA VAL A 701 3.607 -7.974 7.615 1.00 71.32 H new ATOM 0 HB VAL A 701 5.354 -6.634 8.760 1.00 71.15 H new ATOM 0 HG11 VAL A 701 6.214 -4.577 7.733 1.00 64.31 H new ATOM 0 HG12 VAL A 701 6.829 -6.057 6.959 1.00 64.31 H new ATOM 0 HG13 VAL A 701 5.553 -5.102 6.166 1.00 64.31 H new ATOM 0 HG21 VAL A 701 4.048 -4.548 8.827 1.00 23.11 H new ATOM 0 HG22 VAL A 701 3.149 -5.088 7.390 1.00 23.11 H new ATOM 0 HG23 VAL A 701 3.033 -6.007 8.909 1.00 23.11 H new ATOM 1764 N GLY A 702 4.893 -7.174 4.738 1.00 23.42 N ATOM 1765 CA GLY A 702 4.598 -6.924 3.399 1.00 52.42 C ATOM 1766 C GLY A 702 5.133 -5.622 2.913 1.00 71.15 C ATOM 1767 O GLY A 702 5.269 -4.664 3.669 1.00 74.21 O ATOM 0 H GLY A 702 5.877 -7.366 4.929 1.00 23.42 H new ATOM 0 HA2 GLY A 702 5.007 -7.728 2.787 1.00 52.42 H new ATOM 0 HA3 GLY A 702 3.517 -6.938 3.263 1.00 52.42 H new ATOM 1771 N PHE A 703 5.464 -5.612 1.675 1.00 63.44 N ATOM 1772 CA PHE A 703 5.976 -4.444 0.998 1.00 41.51 C ATOM 1773 C PHE A 703 5.136 -4.168 -0.252 1.00 13.52 C ATOM 1774 O PHE A 703 4.858 -5.091 -1.035 1.00 42.10 O ATOM 1775 CB PHE A 703 7.451 -4.650 0.603 1.00 31.12 C ATOM 1776 CG PHE A 703 8.382 -4.902 1.765 1.00 31.33 C ATOM 1777 CD1 PHE A 703 8.620 -6.191 2.218 1.00 74.15 C ATOM 1778 CD2 PHE A 703 9.018 -3.850 2.401 1.00 33.23 C ATOM 1779 CE1 PHE A 703 9.471 -6.423 3.279 1.00 71.44 C ATOM 1780 CE2 PHE A 703 9.872 -4.078 3.463 1.00 25.52 C ATOM 1781 CZ PHE A 703 10.099 -5.365 3.902 1.00 34.44 C ATOM 0 H PHE A 703 5.390 -6.432 1.073 1.00 63.44 H new ATOM 0 HA PHE A 703 5.916 -3.591 1.674 1.00 41.51 H new ATOM 0 HB2 PHE A 703 7.515 -5.492 -0.086 1.00 31.12 H new ATOM 0 HB3 PHE A 703 7.796 -3.768 0.062 1.00 31.12 H new ATOM 0 HD1 PHE A 703 8.133 -7.024 1.734 1.00 74.15 H new ATOM 0 HD2 PHE A 703 8.845 -2.839 2.063 1.00 33.23 H new ATOM 0 HE1 PHE A 703 9.645 -7.432 3.621 1.00 71.44 H new ATOM 0 HE2 PHE A 703 10.362 -3.248 3.949 1.00 25.52 H new ATOM 0 HZ PHE A 703 10.767 -5.544 4.732 1.00 34.44 H new ATOM 1791 N PRO A 704 4.670 -2.924 -0.427 1.00 64.30 N ATOM 1792 CA PRO A 704 3.908 -2.529 -1.611 1.00 40.34 C ATOM 1793 C PRO A 704 4.800 -2.188 -2.818 1.00 63.13 C ATOM 1794 O PRO A 704 5.879 -1.605 -2.680 1.00 1.01 O ATOM 1795 CB PRO A 704 3.175 -1.276 -1.141 1.00 72.53 C ATOM 1796 CG PRO A 704 4.085 -0.669 -0.127 1.00 72.43 C ATOM 1797 CD PRO A 704 4.806 -1.816 0.538 1.00 64.22 C ATOM 0 HA PRO A 704 3.261 -3.335 -1.959 1.00 40.34 H new ATOM 0 HB2 PRO A 704 2.989 -0.591 -1.968 1.00 72.53 H new ATOM 0 HB3 PRO A 704 2.206 -1.522 -0.708 1.00 72.53 H new ATOM 0 HG2 PRO A 704 4.792 0.013 -0.599 1.00 72.43 H new ATOM 0 HG3 PRO A 704 3.521 -0.089 0.603 1.00 72.43 H new ATOM 0 HD2 PRO A 704 5.852 -1.576 0.726 1.00 64.22 H new ATOM 0 HD3 PRO A 704 4.358 -2.066 1.500 1.00 64.22 H new ATOM 1805 N GLU A 705 4.330 -2.548 -3.981 1.00 61.55 N ATOM 1806 CA GLU A 705 4.995 -2.270 -5.228 1.00 15.20 C ATOM 1807 C GLU A 705 4.017 -1.548 -6.143 1.00 41.15 C ATOM 1808 O GLU A 705 2.861 -1.963 -6.271 1.00 31.55 O ATOM 1809 CB GLU A 705 5.454 -3.592 -5.872 1.00 54.20 C ATOM 1810 CG GLU A 705 6.163 -3.442 -7.214 1.00 44.30 C ATOM 1811 CD GLU A 705 7.425 -2.620 -7.117 1.00 62.11 C ATOM 1812 OE1 GLU A 705 8.497 -3.197 -6.821 1.00 1.11 O ATOM 1813 OE2 GLU A 705 7.366 -1.388 -7.340 1.00 65.22 O ATOM 0 H GLU A 705 3.452 -3.055 -4.092 1.00 61.55 H new ATOM 0 HA GLU A 705 5.871 -1.644 -5.061 1.00 15.20 H new ATOM 0 HB2 GLU A 705 6.123 -4.103 -5.180 1.00 54.20 H new ATOM 0 HB3 GLU A 705 4.584 -4.234 -6.007 1.00 54.20 H new ATOM 0 HG2 GLU A 705 6.407 -4.430 -7.604 1.00 44.30 H new ATOM 0 HG3 GLU A 705 5.485 -2.976 -7.929 1.00 44.30 H new ATOM 1820 N TYR A 706 4.454 -0.484 -6.758 1.00 14.24 N ATOM 1821 CA TYR A 706 3.592 0.274 -7.635 1.00 45.42 C ATOM 1822 C TYR A 706 3.534 -0.365 -8.999 1.00 45.21 C ATOM 1823 O TYR A 706 4.560 -0.539 -9.658 1.00 61.51 O ATOM 1824 CB TYR A 706 4.021 1.751 -7.719 1.00 40.41 C ATOM 1825 CG TYR A 706 3.222 2.570 -8.710 1.00 70.14 C ATOM 1826 CD1 TYR A 706 1.850 2.732 -8.569 1.00 22.42 C ATOM 1827 CD2 TYR A 706 3.846 3.190 -9.781 1.00 31.05 C ATOM 1828 CE1 TYR A 706 1.129 3.482 -9.459 1.00 43.11 C ATOM 1829 CE2 TYR A 706 3.132 3.943 -10.678 1.00 55.35 C ATOM 1830 CZ TYR A 706 1.777 4.092 -10.518 1.00 22.40 C ATOM 1831 OH TYR A 706 1.067 4.850 -11.415 1.00 51.51 O ATOM 0 H TYR A 706 5.402 -0.118 -6.671 1.00 14.24 H new ATOM 0 HA TYR A 706 2.587 0.262 -7.212 1.00 45.42 H new ATOM 0 HB2 TYR A 706 3.927 2.202 -6.731 1.00 40.41 H new ATOM 0 HB3 TYR A 706 5.075 1.797 -7.992 1.00 40.41 H new ATOM 0 HD1 TYR A 706 1.342 2.258 -7.742 1.00 22.42 H new ATOM 0 HD2 TYR A 706 4.912 3.078 -9.911 1.00 31.05 H new ATOM 0 HE1 TYR A 706 0.062 3.597 -9.335 1.00 43.11 H new ATOM 0 HE2 TYR A 706 3.635 4.417 -11.508 1.00 55.35 H new ATOM 0 HH TYR A 706 0.595 5.564 -10.938 1.00 51.51 H new ATOM 1841 N GLN A 707 2.346 -0.740 -9.410 1.00 45.43 N ATOM 1842 CA GLN A 707 2.172 -1.346 -10.699 1.00 63.53 C ATOM 1843 C GLN A 707 1.995 -0.298 -11.760 1.00 22.04 C ATOM 1844 O GLN A 707 2.969 0.141 -12.361 1.00 62.40 O ATOM 1845 CB GLN A 707 1.045 -2.382 -10.683 1.00 4.42 C ATOM 1846 CG GLN A 707 1.373 -3.556 -9.784 1.00 44.53 C ATOM 1847 CD GLN A 707 2.652 -4.251 -10.227 1.00 62.24 C ATOM 1848 OE1 GLN A 707 2.973 -4.291 -11.410 1.00 35.24 O ATOM 1849 NE2 GLN A 707 3.400 -4.758 -9.292 1.00 53.42 N ATOM 0 H GLN A 707 1.489 -0.634 -8.867 1.00 45.43 H new ATOM 0 HA GLN A 707 3.080 -1.895 -10.950 1.00 63.53 H new ATOM 0 HB2 GLN A 707 0.123 -1.911 -10.343 1.00 4.42 H new ATOM 0 HB3 GLN A 707 0.866 -2.740 -11.697 1.00 4.42 H new ATOM 0 HG2 GLN A 707 1.482 -3.210 -8.756 1.00 44.53 H new ATOM 0 HG3 GLN A 707 0.547 -4.267 -9.795 1.00 44.53 H new ATOM 0 HE21 GLN A 707 3.103 -4.707 -8.318 1.00 53.42 H new ATOM 0 HE22 GLN A 707 4.284 -5.206 -9.533 1.00 53.42 H new ATOM 1857 N GLU A 708 0.783 0.150 -11.954 1.00 70.03 N ATOM 1858 CA GLU A 708 0.524 1.187 -12.908 1.00 12.34 C ATOM 1859 C GLU A 708 -0.823 1.792 -12.671 1.00 72.24 C ATOM 1860 O GLU A 708 -1.800 1.085 -12.396 1.00 50.41 O ATOM 1861 CB GLU A 708 0.623 0.678 -14.368 1.00 42.12 C ATOM 1862 CG GLU A 708 -0.350 -0.436 -14.733 1.00 5.14 C ATOM 1863 CD GLU A 708 -0.249 -0.835 -16.183 1.00 12.01 C ATOM 1864 OE1 GLU A 708 0.586 -1.704 -16.510 1.00 20.11 O ATOM 1865 OE2 GLU A 708 -1.005 -0.291 -17.020 1.00 73.23 O ATOM 0 H GLU A 708 -0.042 -0.191 -11.460 1.00 70.03 H new ATOM 0 HA GLU A 708 1.293 1.947 -12.770 1.00 12.34 H new ATOM 0 HB2 GLU A 708 0.457 1.519 -15.041 1.00 42.12 H new ATOM 0 HB3 GLU A 708 1.639 0.324 -14.545 1.00 42.12 H new ATOM 0 HG2 GLU A 708 -0.155 -1.305 -14.105 1.00 5.14 H new ATOM 0 HG3 GLU A 708 -1.368 -0.110 -14.519 1.00 5.14 H new ATOM 1872 N GLU A 709 -0.871 3.084 -12.675 1.00 44.10 N ATOM 1873 CA GLU A 709 -2.121 3.751 -12.679 1.00 24.43 C ATOM 1874 C GLU A 709 -2.536 3.834 -14.127 1.00 22.03 C ATOM 1875 O GLU A 709 -1.768 4.299 -14.982 1.00 44.43 O ATOM 1876 CB GLU A 709 -2.001 5.127 -12.009 1.00 24.31 C ATOM 1877 CG GLU A 709 -3.307 5.906 -11.802 1.00 12.33 C ATOM 1878 CD GLU A 709 -3.898 6.485 -13.052 1.00 70.24 C ATOM 1879 OE1 GLU A 709 -3.470 7.598 -13.451 1.00 33.23 O ATOM 1880 OE2 GLU A 709 -4.799 5.871 -13.646 1.00 63.42 O ATOM 0 H GLU A 709 -0.054 3.695 -12.676 1.00 44.10 H new ATOM 0 HA GLU A 709 -2.879 3.220 -12.103 1.00 24.43 H new ATOM 0 HB2 GLU A 709 -1.527 4.993 -11.037 1.00 24.31 H new ATOM 0 HB3 GLU A 709 -1.329 5.741 -12.609 1.00 24.31 H new ATOM 0 HG2 GLU A 709 -4.040 5.243 -11.343 1.00 12.33 H new ATOM 0 HG3 GLU A 709 -3.123 6.715 -11.095 1.00 12.33 H new ATOM 1887 N ASP A 710 -3.707 3.380 -14.394 1.00 40.15 N ATOM 1888 CA ASP A 710 -4.215 3.298 -15.748 1.00 63.11 C ATOM 1889 C ASP A 710 -5.715 3.249 -15.692 1.00 40.20 C ATOM 1890 O ASP A 710 -6.422 3.828 -16.514 1.00 0.42 O ATOM 1891 CB ASP A 710 -3.681 2.019 -16.385 1.00 42.02 C ATOM 1892 CG ASP A 710 -4.129 1.820 -17.797 1.00 25.01 C ATOM 1893 OD1 ASP A 710 -3.551 2.452 -18.710 1.00 71.23 O ATOM 1894 OD2 ASP A 710 -5.044 1.003 -18.030 1.00 13.23 O ATOM 0 H ASP A 710 -4.359 3.047 -13.684 1.00 40.15 H new ATOM 0 HA ASP A 710 -3.899 4.160 -16.335 1.00 63.11 H new ATOM 0 HB2 ASP A 710 -2.591 2.037 -16.358 1.00 42.02 H new ATOM 0 HB3 ASP A 710 -4.001 1.165 -15.788 1.00 42.02 H new ATOM 1899 N ASN A 711 -6.183 2.564 -14.689 1.00 24.42 N ATOM 1900 CA ASN A 711 -7.593 2.381 -14.405 1.00 62.02 C ATOM 1901 C ASN A 711 -8.167 3.530 -13.558 1.00 14.23 C ATOM 1902 O ASN A 711 -9.196 3.366 -12.897 1.00 15.33 O ATOM 1903 CB ASN A 711 -7.777 1.009 -13.721 1.00 14.01 C ATOM 1904 CG ASN A 711 -6.837 0.800 -12.540 1.00 14.54 C ATOM 1905 OD1 ASN A 711 -5.693 0.387 -12.728 1.00 41.40 O ATOM 1906 ND2 ASN A 711 -7.298 1.021 -11.342 1.00 43.23 N ATOM 0 H ASN A 711 -5.576 2.096 -14.015 1.00 24.42 H new ATOM 0 HA ASN A 711 -8.155 2.399 -15.339 1.00 62.02 H new ATOM 0 HB2 ASN A 711 -8.808 0.916 -13.379 1.00 14.01 H new ATOM 0 HB3 ASN A 711 -7.612 0.219 -14.454 1.00 14.01 H new ATOM 0 HD21 ASN A 711 -6.706 0.852 -10.529 1.00 43.23 H new ATOM 0 HD22 ASN A 711 -8.251 1.363 -11.217 1.00 43.23 H new ATOM 1912 N SER A 712 -7.488 4.709 -13.600 1.00 55.44 N ATOM 1913 CA SER A 712 -7.924 5.945 -12.894 1.00 12.12 C ATOM 1914 C SER A 712 -7.718 5.837 -11.376 1.00 21.41 C ATOM 1915 O SER A 712 -8.036 6.741 -10.605 1.00 72.45 O ATOM 1916 CB SER A 712 -9.367 6.322 -13.267 1.00 72.23 C ATOM 1917 OG SER A 712 -9.487 6.475 -14.684 1.00 42.32 O ATOM 0 H SER A 712 -6.622 4.829 -14.125 1.00 55.44 H new ATOM 0 HA SER A 712 -7.286 6.762 -13.232 1.00 12.12 H new ATOM 0 HB2 SER A 712 -10.054 5.551 -12.918 1.00 72.23 H new ATOM 0 HB3 SER A 712 -9.649 7.250 -12.769 1.00 72.23 H new ATOM 0 HG SER A 712 -10.410 6.713 -14.910 1.00 42.32 H new ATOM 1923 N THR A 713 -7.199 4.729 -10.977 1.00 72.21 N ATOM 1924 CA THR A 713 -6.944 4.411 -9.630 1.00 63.24 C ATOM 1925 C THR A 713 -5.546 3.807 -9.564 1.00 43.13 C ATOM 1926 O THR A 713 -5.163 3.033 -10.448 1.00 31.41 O ATOM 1927 CB THR A 713 -8.002 3.388 -9.155 1.00 63.43 C ATOM 1928 OG1 THR A 713 -9.310 3.930 -9.395 1.00 30.11 O ATOM 1929 CG2 THR A 713 -7.862 3.069 -7.680 1.00 32.21 C ATOM 0 H THR A 713 -6.929 3.986 -11.622 1.00 72.21 H new ATOM 0 HA THR A 713 -6.999 5.291 -8.988 1.00 63.24 H new ATOM 0 HB THR A 713 -7.852 2.463 -9.712 1.00 63.43 H new ATOM 0 HG1 THR A 713 -9.989 3.289 -9.099 1.00 30.11 H new ATOM 0 HG21 THR A 713 -8.625 2.347 -7.390 1.00 32.21 H new ATOM 0 HG22 THR A 713 -6.874 2.649 -7.491 1.00 32.21 H new ATOM 0 HG23 THR A 713 -7.986 3.982 -7.097 1.00 32.21 H new ATOM 1935 N TYR A 714 -4.786 4.185 -8.577 1.00 72.23 N ATOM 1936 CA TYR A 714 -3.454 3.680 -8.419 1.00 54.21 C ATOM 1937 C TYR A 714 -3.494 2.332 -7.766 1.00 33.20 C ATOM 1938 O TYR A 714 -3.956 2.197 -6.647 1.00 73.43 O ATOM 1939 CB TYR A 714 -2.599 4.651 -7.579 1.00 34.32 C ATOM 1940 CG TYR A 714 -2.279 5.957 -8.275 1.00 11.34 C ATOM 1941 CD1 TYR A 714 -3.239 6.949 -8.444 1.00 44.44 C ATOM 1942 CD2 TYR A 714 -1.010 6.190 -8.774 1.00 64.32 C ATOM 1943 CE1 TYR A 714 -2.935 8.126 -9.100 1.00 44.34 C ATOM 1944 CE2 TYR A 714 -0.697 7.361 -9.423 1.00 0.53 C ATOM 1945 CZ TYR A 714 -1.656 8.322 -9.587 1.00 53.44 C ATOM 1946 OH TYR A 714 -1.343 9.487 -10.250 1.00 1.55 O ATOM 0 H TYR A 714 -5.072 4.851 -7.860 1.00 72.23 H new ATOM 0 HA TYR A 714 -2.999 3.587 -9.405 1.00 54.21 H new ATOM 0 HB2 TYR A 714 -3.124 4.867 -6.648 1.00 34.32 H new ATOM 0 HB3 TYR A 714 -1.665 4.157 -7.311 1.00 34.32 H new ATOM 0 HD1 TYR A 714 -4.236 6.797 -8.057 1.00 44.44 H new ATOM 0 HD2 TYR A 714 -0.248 5.435 -8.651 1.00 64.32 H new ATOM 0 HE1 TYR A 714 -3.690 8.887 -9.231 1.00 44.34 H new ATOM 0 HE2 TYR A 714 0.302 7.521 -9.802 1.00 0.53 H new ATOM 0 HH TYR A 714 -1.896 10.219 -9.905 1.00 1.55 H new ATOM 1956 N ASN A 715 -3.015 1.349 -8.460 1.00 43.20 N ATOM 1957 CA ASN A 715 -2.936 0.011 -7.928 1.00 25.52 C ATOM 1958 C ASN A 715 -1.558 -0.319 -7.481 1.00 34.15 C ATOM 1959 O ASN A 715 -0.568 -0.181 -8.232 1.00 22.15 O ATOM 1960 CB ASN A 715 -3.405 -1.034 -8.941 1.00 74.05 C ATOM 1961 CG ASN A 715 -4.916 -1.212 -8.985 1.00 53.12 C ATOM 1962 OD1 ASN A 715 -5.618 -0.508 -9.700 1.00 21.34 O ATOM 1963 ND2 ASN A 715 -5.428 -2.198 -8.248 1.00 21.51 N ATOM 0 H ASN A 715 -2.665 1.444 -9.413 1.00 43.20 H new ATOM 0 HA ASN A 715 -3.603 -0.015 -7.067 1.00 25.52 H new ATOM 0 HB2 ASN A 715 -3.053 -0.749 -9.932 1.00 74.05 H new ATOM 0 HB3 ASN A 715 -2.943 -1.992 -8.702 1.00 74.05 H new ATOM 0 HD21 ASN A 715 -6.431 -2.383 -8.270 1.00 21.51 H new ATOM 0 HD22 ASN A 715 -4.817 -2.767 -7.662 1.00 21.51 H new ATOM 1969 N PHE A 716 -1.484 -0.742 -6.266 1.00 3.13 N ATOM 1970 CA PHE A 716 -0.272 -1.191 -5.689 1.00 71.31 C ATOM 1971 C PHE A 716 -0.401 -2.632 -5.392 1.00 31.25 C ATOM 1972 O PHE A 716 -1.471 -3.102 -5.002 1.00 34.11 O ATOM 1973 CB PHE A 716 0.074 -0.427 -4.409 1.00 40.42 C ATOM 1974 CG PHE A 716 0.387 1.016 -4.632 1.00 31.03 C ATOM 1975 CD1 PHE A 716 -0.619 1.951 -4.781 1.00 54.24 C ATOM 1976 CD2 PHE A 716 1.698 1.432 -4.706 1.00 15.24 C ATOM 1977 CE1 PHE A 716 -0.317 3.277 -4.996 1.00 25.41 C ATOM 1978 CE2 PHE A 716 2.002 2.750 -4.923 1.00 23.24 C ATOM 1979 CZ PHE A 716 0.995 3.673 -5.070 1.00 54.25 C ATOM 0 H PHE A 716 -2.284 -0.785 -5.635 1.00 3.13 H new ATOM 0 HA PHE A 716 0.536 -1.012 -6.398 1.00 71.31 H new ATOM 0 HB2 PHE A 716 -0.762 -0.504 -3.714 1.00 40.42 H new ATOM 0 HB3 PHE A 716 0.930 -0.905 -3.932 1.00 40.42 H new ATOM 0 HD1 PHE A 716 -1.652 1.639 -4.728 1.00 54.24 H new ATOM 0 HD2 PHE A 716 2.495 0.712 -4.592 1.00 15.24 H new ATOM 0 HE1 PHE A 716 -1.109 4.003 -5.106 1.00 25.41 H new ATOM 0 HE2 PHE A 716 3.034 3.064 -4.979 1.00 23.24 H new ATOM 0 HZ PHE A 716 1.236 4.711 -5.244 1.00 54.25 H new ATOM 1989 N ARG A 717 0.647 -3.325 -5.581 1.00 43.14 N ATOM 1990 CA ARG A 717 0.686 -4.705 -5.322 1.00 3.04 C ATOM 1991 C ARG A 717 1.436 -4.906 -4.040 1.00 52.25 C ATOM 1992 O ARG A 717 2.598 -4.567 -3.943 1.00 32.23 O ATOM 1993 CB ARG A 717 1.382 -5.407 -6.474 1.00 21.11 C ATOM 1994 CG ARG A 717 1.561 -6.875 -6.269 1.00 34.13 C ATOM 1995 CD ARG A 717 2.178 -7.532 -7.471 1.00 41.10 C ATOM 1996 NE ARG A 717 1.345 -7.438 -8.648 1.00 64.11 N ATOM 1997 CZ ARG A 717 1.765 -7.711 -9.889 1.00 73.31 C ATOM 1998 NH1 ARG A 717 3.020 -8.121 -10.097 1.00 33.25 N ATOM 1999 NH2 ARG A 717 0.938 -7.580 -10.917 1.00 2.04 N ATOM 0 H ARG A 717 1.525 -2.940 -5.929 1.00 43.14 H new ATOM 0 HA ARG A 717 -0.317 -5.121 -5.227 1.00 3.04 H new ATOM 0 HB2 ARG A 717 0.807 -5.245 -7.386 1.00 21.11 H new ATOM 0 HB3 ARG A 717 2.359 -4.950 -6.628 1.00 21.11 H new ATOM 0 HG2 ARG A 717 2.192 -7.047 -5.397 1.00 34.13 H new ATOM 0 HG3 ARG A 717 0.595 -7.334 -6.059 1.00 34.13 H new ATOM 0 HD2 ARG A 717 3.144 -7.070 -7.677 1.00 41.10 H new ATOM 0 HD3 ARG A 717 2.368 -8.582 -7.248 1.00 41.10 H new ATOM 0 HE ARG A 717 0.376 -7.145 -8.525 1.00 64.11 H new ATOM 0 HH11 ARG A 717 3.659 -8.226 -9.309 1.00 33.25 H new ATOM 0 HH12 ARG A 717 3.338 -8.329 -11.044 1.00 33.25 H new ATOM 0 HH21 ARG A 717 -0.022 -7.270 -10.763 1.00 2.04 H new ATOM 0 HH22 ARG A 717 1.261 -7.789 -11.862 1.00 2.04 H new ATOM 2011 N TRP A 718 0.778 -5.430 -3.079 1.00 23.04 N ATOM 2012 CA TRP A 718 1.340 -5.610 -1.790 1.00 3.13 C ATOM 2013 C TRP A 718 1.599 -7.082 -1.590 1.00 15.43 C ATOM 2014 O TRP A 718 0.665 -7.885 -1.582 1.00 42.52 O ATOM 2015 CB TRP A 718 0.335 -5.113 -0.733 1.00 34.13 C ATOM 2016 CG TRP A 718 0.904 -4.947 0.641 1.00 43.30 C ATOM 2017 CD1 TRP A 718 1.389 -5.915 1.452 1.00 54.04 C ATOM 2018 CD2 TRP A 718 1.008 -3.726 1.373 1.00 24.14 C ATOM 2019 NE1 TRP A 718 1.811 -5.369 2.636 1.00 74.42 N ATOM 2020 CE2 TRP A 718 1.590 -4.030 2.608 1.00 61.14 C ATOM 2021 CE3 TRP A 718 0.673 -2.401 1.095 1.00 25.05 C ATOM 2022 CZ2 TRP A 718 1.846 -3.066 3.564 1.00 1.33 C ATOM 2023 CZ3 TRP A 718 0.926 -1.443 2.050 1.00 75.43 C ATOM 2024 CH2 TRP A 718 1.509 -1.782 3.269 1.00 4.43 C ATOM 0 H TRP A 718 -0.186 -5.754 -3.163 1.00 23.04 H new ATOM 0 HA TRP A 718 2.271 -5.051 -1.694 1.00 3.13 H new ATOM 0 HB2 TRP A 718 -0.073 -4.157 -1.061 1.00 34.13 H new ATOM 0 HB3 TRP A 718 -0.497 -5.815 -0.684 1.00 34.13 H new ATOM 0 HD1 TRP A 718 1.437 -6.965 1.203 1.00 54.04 H new ATOM 0 HE1 TRP A 718 2.224 -5.885 3.413 1.00 74.42 H new ATOM 0 HE3 TRP A 718 0.224 -2.132 0.150 1.00 25.05 H new ATOM 0 HZ2 TRP A 718 2.297 -3.323 4.511 1.00 1.33 H new ATOM 0 HZ3 TRP A 718 0.669 -0.413 1.852 1.00 75.43 H new ATOM 0 HH2 TRP A 718 1.698 -1.007 3.997 1.00 4.43 H new ATOM 2035 N TYR A 719 2.835 -7.447 -1.455 1.00 61.40 N ATOM 2036 CA TYR A 719 3.156 -8.819 -1.180 1.00 60.12 C ATOM 2037 C TYR A 719 3.221 -8.970 0.314 1.00 62.14 C ATOM 2038 O TYR A 719 4.087 -8.384 0.945 1.00 20.23 O ATOM 2039 CB TYR A 719 4.504 -9.221 -1.785 1.00 63.20 C ATOM 2040 CG TYR A 719 4.595 -9.111 -3.289 1.00 33.10 C ATOM 2041 CD1 TYR A 719 3.870 -9.960 -4.111 1.00 40.11 C ATOM 2042 CD2 TYR A 719 5.417 -8.163 -3.889 1.00 5.10 C ATOM 2043 CE1 TYR A 719 3.960 -9.870 -5.483 1.00 70.02 C ATOM 2044 CE2 TYR A 719 5.515 -8.073 -5.264 1.00 53.15 C ATOM 2045 CZ TYR A 719 4.783 -8.928 -6.054 1.00 73.33 C ATOM 2046 OH TYR A 719 4.885 -8.854 -7.435 1.00 12.24 O ATOM 0 H TYR A 719 3.637 -6.821 -1.529 1.00 61.40 H new ATOM 0 HA TYR A 719 2.396 -9.463 -1.622 1.00 60.12 H new ATOM 0 HB2 TYR A 719 5.282 -8.598 -1.344 1.00 63.20 H new ATOM 0 HB3 TYR A 719 4.720 -10.250 -1.499 1.00 63.20 H new ATOM 0 HD1 TYR A 719 3.224 -10.704 -3.669 1.00 40.11 H new ATOM 0 HD2 TYR A 719 5.988 -7.486 -3.270 1.00 5.10 H new ATOM 0 HE1 TYR A 719 3.386 -10.538 -6.108 1.00 70.02 H new ATOM 0 HE2 TYR A 719 6.162 -7.336 -5.716 1.00 53.15 H new ATOM 0 HH TYR A 719 5.506 -8.136 -7.679 1.00 12.24 H new ATOM 2056 N THR A 720 2.308 -9.705 0.887 1.00 55.44 N ATOM 2057 CA THR A 720 2.289 -9.866 2.315 1.00 3.21 C ATOM 2058 C THR A 720 2.022 -11.299 2.703 1.00 23.34 C ATOM 2059 O THR A 720 1.225 -12.001 2.070 1.00 54.23 O ATOM 2060 CB THR A 720 1.272 -8.914 3.029 1.00 25.54 C ATOM 2061 OG1 THR A 720 1.321 -9.111 4.455 1.00 15.22 O ATOM 2062 CG2 THR A 720 -0.151 -9.143 2.542 1.00 43.42 C ATOM 0 H THR A 720 1.569 -10.201 0.389 1.00 55.44 H new ATOM 0 HA THR A 720 3.285 -9.585 2.658 1.00 3.21 H new ATOM 0 HB THR A 720 1.559 -7.891 2.785 1.00 25.54 H new ATOM 0 HG1 THR A 720 1.820 -8.377 4.870 1.00 15.22 H new ATOM 0 HG21 THR A 720 -0.827 -8.464 3.061 1.00 43.42 H new ATOM 0 HG22 THR A 720 -0.203 -8.957 1.469 1.00 43.42 H new ATOM 0 HG23 THR A 720 -0.444 -10.173 2.746 1.00 43.42 H new ATOM 2068 N SER A 721 2.700 -11.726 3.727 1.00 70.34 N ATOM 2069 CA SER A 721 2.542 -13.033 4.268 1.00 11.30 C ATOM 2070 C SER A 721 1.171 -13.150 4.971 1.00 53.42 C ATOM 2071 O SER A 721 0.621 -14.249 5.125 1.00 71.35 O ATOM 2072 CB SER A 721 3.706 -13.318 5.196 1.00 31.52 C ATOM 2073 OG SER A 721 4.937 -13.159 4.472 1.00 61.23 O ATOM 0 H SER A 721 3.392 -11.159 4.216 1.00 70.34 H new ATOM 0 HA SER A 721 2.552 -13.785 3.479 1.00 11.30 H new ATOM 0 HB2 SER A 721 3.681 -12.639 6.049 1.00 31.52 H new ATOM 0 HB3 SER A 721 3.631 -14.331 5.592 1.00 31.52 H new ATOM 0 HG SER A 721 5.364 -12.317 4.734 1.00 61.23 H new ATOM 2079 N TYR A 722 0.615 -11.995 5.382 1.00 21.13 N ATOM 2080 CA TYR A 722 -0.685 -11.948 6.021 1.00 5.12 C ATOM 2081 C TYR A 722 -1.826 -12.233 5.062 1.00 15.42 C ATOM 2082 O TYR A 722 -2.941 -12.489 5.489 1.00 53.13 O ATOM 2083 CB TYR A 722 -0.905 -10.631 6.759 1.00 54.42 C ATOM 2084 CG TYR A 722 -0.047 -10.497 7.993 1.00 53.24 C ATOM 2085 CD1 TYR A 722 -0.519 -10.948 9.212 1.00 44.52 C ATOM 2086 CD2 TYR A 722 1.226 -9.947 7.946 1.00 11.23 C ATOM 2087 CE1 TYR A 722 0.239 -10.861 10.352 1.00 32.22 C ATOM 2088 CE2 TYR A 722 1.996 -9.852 9.091 1.00 1.55 C ATOM 2089 CZ TYR A 722 1.492 -10.314 10.292 1.00 72.30 C ATOM 2090 OH TYR A 722 2.252 -10.239 11.435 1.00 71.40 O ATOM 0 H TYR A 722 1.061 -11.084 5.275 1.00 21.13 H new ATOM 0 HA TYR A 722 -0.686 -12.752 6.757 1.00 5.12 H new ATOM 0 HB2 TYR A 722 -0.692 -9.802 6.084 1.00 54.42 H new ATOM 0 HB3 TYR A 722 -1.954 -10.550 7.042 1.00 54.42 H new ATOM 0 HD1 TYR A 722 -1.508 -11.379 9.268 1.00 44.52 H new ATOM 0 HD2 TYR A 722 1.620 -9.590 7.006 1.00 11.23 H new ATOM 0 HE1 TYR A 722 -0.151 -11.222 11.292 1.00 32.22 H new ATOM 0 HE2 TYR A 722 2.985 -9.420 9.047 1.00 1.55 H new ATOM 0 HH TYR A 722 3.116 -9.827 11.227 1.00 71.40 H new ATOM 2100 N ALA A 723 -1.548 -12.214 3.772 1.00 41.33 N ATOM 2101 CA ALA A 723 -2.573 -12.524 2.783 1.00 1.13 C ATOM 2102 C ALA A 723 -2.618 -14.024 2.540 1.00 55.23 C ATOM 2103 O ALA A 723 -3.375 -14.515 1.707 1.00 30.33 O ATOM 2104 CB ALA A 723 -2.318 -11.780 1.481 1.00 30.41 C ATOM 0 H ALA A 723 -0.632 -11.990 3.383 1.00 41.33 H new ATOM 0 HA ALA A 723 -3.538 -12.197 3.170 1.00 1.13 H new ATOM 0 HB1 ALA A 723 -3.097 -12.029 0.761 1.00 30.41 H new ATOM 0 HB2 ALA A 723 -2.327 -10.706 1.668 1.00 30.41 H new ATOM 0 HB3 ALA A 723 -1.347 -12.071 1.080 1.00 30.41 H new ATOM 2110 N CYS A 724 -1.812 -14.740 3.285 1.00 52.35 N ATOM 2111 CA CYS A 724 -1.732 -16.167 3.167 1.00 64.44 C ATOM 2112 C CYS A 724 -2.378 -16.832 4.372 1.00 2.32 C ATOM 2113 O CYS A 724 -2.056 -16.497 5.516 1.00 64.10 O ATOM 2114 CB CYS A 724 -0.269 -16.591 3.073 1.00 5.11 C ATOM 2115 SG CYS A 724 0.607 -15.890 1.644 1.00 13.34 S ATOM 0 H CYS A 724 -1.192 -14.344 3.992 1.00 52.35 H new ATOM 0 HA CYS A 724 -2.261 -16.477 2.266 1.00 64.44 H new ATOM 0 HB2 CYS A 724 0.246 -16.291 3.986 1.00 5.11 H new ATOM 0 HB3 CYS A 724 -0.218 -17.679 3.021 1.00 5.11 H new ATOM 2120 N PRO A 725 -3.332 -17.747 4.142 1.00 62.12 N ATOM 2121 CA PRO A 725 -3.957 -18.511 5.195 1.00 74.24 C ATOM 2122 C PRO A 725 -3.192 -19.805 5.443 1.00 2.53 C ATOM 2123 O PRO A 725 -3.417 -20.792 4.712 1.00 39.09 O ATOM 2124 CB PRO A 725 -5.366 -18.815 4.641 1.00 74.24 C ATOM 2125 CG PRO A 725 -5.336 -18.420 3.185 1.00 55.52 C ATOM 2126 CD PRO A 725 -3.911 -18.090 2.839 1.00 4.44 C ATOM 2127 OXT PRO A 725 -2.336 -19.840 6.341 1.00 39.09 O ATOM 0 HA PRO A 725 -3.980 -17.980 6.146 1.00 74.24 H new ATOM 0 HB2 PRO A 725 -5.610 -19.871 4.753 1.00 74.24 H new ATOM 0 HB3 PRO A 725 -6.127 -18.253 5.182 1.00 74.24 H new ATOM 0 HG2 PRO A 725 -5.705 -19.233 2.559 1.00 55.52 H new ATOM 0 HG3 PRO A 725 -5.983 -17.561 3.007 1.00 55.52 H new ATOM 0 HD2 PRO A 725 -3.400 -18.936 2.379 1.00 4.44 H new ATOM 0 HD3 PRO A 725 -3.847 -17.259 2.137 1.00 4.44 H new