USER MOD reduce.3.24.130724 H: found=0, std=0, add=983, rem=0, adj=37 USER MOD reduce.3.24.130724 removed 864 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 644 GLN : amide:sc= 0.239 K(o=-1.4,f=-2) USER MOD Set 1.2: A 679 TYR OH : rot 113:sc= -2.33! USER MOD Set 1.3: A 714 TYR OH : rot 180:sc= 0.707 USER MOD Set 2.1: A 692 THR OG1 : rot -160:sc= 0.577 USER MOD Set 2.2: A 707 GLN : amide:sc= -0.308! C(o=0.93!,f=-8.3!) USER MOD Set 2.3: A 715 ASN : amide:sc= 0.664 K(o=0.93,f=-8.3) USER MOD Set 3.1: A 681 ASN : amide:sc= -1.62! C(o=-1.6!,f=-7.8!) USER MOD Set 3.2: A 685 THR OG1 : rot 180:sc= 0 USER MOD Single : A 587 THR OG1 : rot 135:sc= 1.3 USER MOD Single : A 591 ASN : amide:sc= -0.044 K(o=-0.044,f=-1.2!) USER MOD Single : A 593 THR OG1 : rot -11:sc= 1.1 USER MOD Single : A 597 SER OG : rot 180:sc= 0 USER MOD Single : A 598 GLN : amide:sc= -2! K(o=-2!,f=-0.91) USER MOD Single : A 602 SER OG : rot 180:sc= 0 USER MOD Single : A 606 THR OG1 : rot -27:sc= 0.46 USER MOD Single : A 609 THR OG1 : rot 64:sc= -0.242 USER MOD Single : A 610 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 611 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 614 TYR OH : rot 12:sc= 0.867 USER MOD Single : A 615 LYS NZ :NH3+ 176:sc= 1.01 (180deg=0.995) USER MOD Single : A 618 THR OG1 : rot -42:sc= 1.92 USER MOD Single : A 620 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 621 TYR OH : rot 180:sc= 0 USER MOD Single : A 624 HIS : no HD1:sc= -0.0215 K(o=-0.021,f=-5.8!) USER MOD Single : A 626 ASN : amide:sc= 1.45 K(o=1.5,f=-7!) USER MOD Single : A 632 SER OG : rot 180:sc= 0 USER MOD Single : A 640 SER OG : rot -63:sc= 1.19 USER MOD Single : A 646 SER OG : rot 150:sc= 0.93 USER MOD Single : A 648 SER OG : rot 180:sc= 0 USER MOD Single : A 651 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 652 SER OG : rot 180:sc= 0 USER MOD Single : A 654 ASN : amide:sc= 0.153 K(o=0.15,f=-4.6!) USER MOD Single : A 658 SER OG : rot 147:sc= -0.969 USER MOD Single : A 659 ASN : amide:sc= -0.72! C(o=-0.72!,f=-2.7!) USER MOD Single : A 661 LYS NZ :NH3+ 151:sc= 1.19 (180deg=1.12) USER MOD Single : A 663 SER OG : rot -100:sc= 0.164 USER MOD Single : A 664 TYR OH : rot 180:sc= -0.708 USER MOD Single : A 665 TYR OH : rot 180:sc= 0 USER MOD Single : A 668 MET CE :methyl -177:sc= -0.399 (180deg=-0.473) USER MOD Single : A 670 GLN : amide:sc= -1.66! K(o=-1.7!,f=-1.1) USER MOD Single : A 672 THR OG1 : rot 100:sc= 0 USER MOD Single : A 673 TYR OH : rot -178:sc= 1.27 USER MOD Single : A 677 THR OG1 : rot -150:sc= -0.182 USER MOD Single : A 680 ASN : amide:sc= 0 X(o=0,f=-0.26) USER MOD Single : A 683 LYS NZ :NH3+ 170:sc= -0.0163 (180deg=-0.13) USER MOD Single : A 689 THR OG1 : rot 87:sc= -2.88! USER MOD Single : A 706 TYR OH : rot 73:sc= 0.228 USER MOD Single : A 712 SER OG : rot -22:sc= 0.157 USER MOD Single : A 713 THR OG1 : rot 180:sc= 0 USER MOD Single : A 719 TYR OH : rot 30:sc= 0.123 USER MOD Single : A 720 THR OG1 : rot 92:sc= 1.52 USER MOD Single : A 721 SER OG : rot 180:sc= 0 USER MOD Single : A 722 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 114 N ARG A 586 10.038 -11.257 11.087 1.00 54.45 N ATOM 115 CA ARG A 586 9.623 -10.405 10.007 1.00 20.30 C ATOM 116 C ARG A 586 10.481 -10.694 8.799 1.00 22.14 C ATOM 117 O ARG A 586 11.723 -10.571 8.853 1.00 10.43 O ATOM 118 CB ARG A 586 9.754 -8.921 10.396 1.00 34.42 C ATOM 119 CG ARG A 586 9.500 -7.947 9.249 1.00 24.42 C ATOM 120 CD ARG A 586 9.701 -6.502 9.684 1.00 71.02 C ATOM 121 NE ARG A 586 9.623 -5.577 8.543 1.00 25.30 N ATOM 122 CZ ARG A 586 9.408 -4.256 8.615 1.00 32.15 C ATOM 123 NH1 ARG A 586 9.185 -3.666 9.789 1.00 60.11 N ATOM 124 NH2 ARG A 586 9.404 -3.532 7.502 1.00 31.44 N ATOM 0 HA ARG A 586 8.576 -10.604 9.780 1.00 20.30 H new ATOM 0 HB2 ARG A 586 9.053 -8.705 11.202 1.00 34.42 H new ATOM 0 HB3 ARG A 586 10.756 -8.748 10.790 1.00 34.42 H new ATOM 0 HG2 ARG A 586 10.172 -8.175 8.422 1.00 24.42 H new ATOM 0 HG3 ARG A 586 8.483 -8.078 8.879 1.00 24.42 H new ATOM 0 HD2 ARG A 586 8.944 -6.235 10.422 1.00 71.02 H new ATOM 0 HD3 ARG A 586 10.671 -6.399 10.171 1.00 71.02 H new ATOM 0 HE ARG A 586 9.743 -5.977 7.613 1.00 25.30 H new ATOM 0 HH11 ARG A 586 9.177 -4.221 10.645 1.00 60.11 H new ATOM 0 HH12 ARG A 586 9.023 -2.660 9.831 1.00 60.11 H new ATOM 0 HH21 ARG A 586 9.564 -3.982 6.601 1.00 31.44 H new ATOM 0 HH22 ARG A 586 9.241 -2.526 7.548 1.00 31.44 H new ATOM 136 N THR A 587 9.859 -11.080 7.742 1.00 33.30 N ATOM 137 CA THR A 587 10.561 -11.373 6.542 1.00 53.35 C ATOM 138 C THR A 587 10.317 -10.256 5.526 1.00 31.12 C ATOM 139 O THR A 587 9.192 -9.771 5.401 1.00 11.34 O ATOM 140 CB THR A 587 10.079 -12.703 5.957 1.00 14.13 C ATOM 141 OG1 THR A 587 10.068 -13.700 7.001 1.00 31.24 O ATOM 142 CG2 THR A 587 11.041 -13.147 4.873 1.00 34.43 C ATOM 0 H THR A 587 8.848 -11.202 7.684 1.00 33.30 H new ATOM 0 HA THR A 587 11.626 -11.447 6.764 1.00 53.35 H new ATOM 0 HB THR A 587 9.078 -12.581 5.542 1.00 14.13 H new ATOM 0 HG1 THR A 587 9.231 -14.209 6.959 1.00 31.24 H new ATOM 0 HG21 THR A 587 10.703 -14.094 4.452 1.00 34.43 H new ATOM 0 HG22 THR A 587 11.077 -12.393 4.087 1.00 34.43 H new ATOM 0 HG23 THR A 587 12.036 -13.274 5.299 1.00 34.43 H new ATOM 148 N GLU A 588 11.363 -9.819 4.843 1.00 4.24 N ATOM 149 CA GLU A 588 11.214 -8.807 3.817 1.00 75.20 C ATOM 150 C GLU A 588 11.377 -9.423 2.432 1.00 64.13 C ATOM 151 O GLU A 588 12.316 -10.197 2.182 1.00 24.41 O ATOM 152 CB GLU A 588 12.176 -7.620 4.030 1.00 0.42 C ATOM 153 CG GLU A 588 13.653 -7.985 4.087 1.00 54.54 C ATOM 154 CD GLU A 588 14.541 -6.779 4.262 1.00 52.01 C ATOM 155 OE1 GLU A 588 14.751 -6.347 5.417 1.00 71.32 O ATOM 156 OE2 GLU A 588 15.042 -6.236 3.242 1.00 73.12 O ATOM 0 H GLU A 588 12.318 -10.149 4.981 1.00 4.24 H new ATOM 0 HA GLU A 588 10.204 -8.403 3.892 1.00 75.20 H new ATOM 0 HB2 GLU A 588 12.026 -6.902 3.223 1.00 0.42 H new ATOM 0 HB3 GLU A 588 11.906 -7.117 4.958 1.00 0.42 H new ATOM 0 HG2 GLU A 588 13.821 -8.678 4.911 1.00 54.54 H new ATOM 0 HG3 GLU A 588 13.930 -8.506 3.171 1.00 54.54 H new ATOM 163 N GLY A 589 10.453 -9.120 1.564 1.00 2.12 N ATOM 164 CA GLY A 589 10.479 -9.636 0.228 1.00 41.14 C ATOM 165 C GLY A 589 10.630 -8.549 -0.797 1.00 15.44 C ATOM 166 O GLY A 589 10.812 -7.379 -0.454 1.00 32.03 O ATOM 0 H GLY A 589 9.662 -8.508 1.764 1.00 2.12 H new ATOM 0 HA2 GLY A 589 11.303 -10.343 0.129 1.00 41.14 H new ATOM 0 HA3 GLY A 589 9.560 -10.189 0.036 1.00 41.14 H new ATOM 170 N ASP A 590 10.520 -8.927 -2.038 1.00 25.31 N ATOM 171 CA ASP A 590 10.716 -8.037 -3.164 1.00 71.22 C ATOM 172 C ASP A 590 9.853 -8.536 -4.327 1.00 21.41 C ATOM 173 O ASP A 590 9.224 -9.587 -4.196 1.00 53.21 O ATOM 174 CB ASP A 590 12.223 -8.017 -3.521 1.00 54.05 C ATOM 175 CG ASP A 590 12.580 -7.179 -4.717 1.00 72.44 C ATOM 176 OD1 ASP A 590 12.381 -5.962 -4.672 1.00 64.24 O ATOM 177 OD2 ASP A 590 13.102 -7.730 -5.702 1.00 61.22 O ATOM 0 H ASP A 590 10.287 -9.882 -2.309 1.00 25.31 H new ATOM 0 HA ASP A 590 10.414 -7.016 -2.930 1.00 71.22 H new ATOM 0 HB2 ASP A 590 12.781 -7.650 -2.659 1.00 54.05 H new ATOM 0 HB3 ASP A 590 12.552 -9.040 -3.701 1.00 54.05 H new ATOM 182 N ASN A 591 9.787 -7.778 -5.433 1.00 10.35 N ATOM 183 CA ASN A 591 8.978 -8.149 -6.628 1.00 54.41 C ATOM 184 C ASN A 591 7.493 -8.245 -6.322 1.00 4.32 C ATOM 185 O ASN A 591 6.758 -8.976 -6.996 1.00 52.31 O ATOM 186 CB ASN A 591 9.480 -9.445 -7.316 1.00 52.21 C ATOM 187 CG ASN A 591 10.797 -9.263 -8.049 1.00 25.52 C ATOM 188 OD1 ASN A 591 11.114 -8.165 -8.519 1.00 15.12 O ATOM 189 ND2 ASN A 591 11.552 -10.324 -8.189 1.00 34.42 N ATOM 0 H ASN A 591 10.286 -6.894 -5.534 1.00 10.35 H new ATOM 0 HA ASN A 591 9.118 -7.330 -7.333 1.00 54.41 H new ATOM 0 HB2 ASN A 591 9.595 -10.226 -6.565 1.00 52.21 H new ATOM 0 HB3 ASN A 591 8.724 -9.790 -8.021 1.00 52.21 H new ATOM 0 HD21 ASN A 591 12.433 -10.259 -8.699 1.00 34.42 H new ATOM 0 HD22 ASN A 591 11.259 -11.215 -7.788 1.00 34.42 H new ATOM 195 N CYS A 592 7.052 -7.478 -5.315 1.00 51.03 N ATOM 196 CA CYS A 592 5.636 -7.372 -4.936 1.00 34.32 C ATOM 197 C CYS A 592 5.156 -8.683 -4.296 1.00 33.52 C ATOM 198 O CYS A 592 3.962 -9.025 -4.313 1.00 64.25 O ATOM 199 CB CYS A 592 4.785 -6.988 -6.173 1.00 15.21 C ATOM 200 SG CYS A 592 3.054 -6.560 -5.817 1.00 11.14 S ATOM 0 H CYS A 592 7.672 -6.910 -4.737 1.00 51.03 H new ATOM 0 HA CYS A 592 5.518 -6.584 -4.193 1.00 34.32 H new ATOM 0 HB2 CYS A 592 5.257 -6.141 -6.671 1.00 15.21 H new ATOM 0 HB3 CYS A 592 4.800 -7.820 -6.877 1.00 15.21 H new ATOM 205 N THR A 593 6.079 -9.379 -3.666 1.00 60.42 N ATOM 206 CA THR A 593 5.783 -10.639 -3.048 1.00 10.12 C ATOM 207 C THR A 593 6.485 -10.729 -1.714 1.00 0.11 C ATOM 208 O THR A 593 7.464 -10.013 -1.472 1.00 33.14 O ATOM 209 CB THR A 593 6.218 -11.846 -3.940 1.00 51.20 C ATOM 210 OG1 THR A 593 7.622 -11.765 -4.264 1.00 73.23 O ATOM 211 CG2 THR A 593 5.411 -11.918 -5.228 1.00 2.14 C ATOM 0 H THR A 593 7.050 -9.082 -3.572 1.00 60.42 H new ATOM 0 HA THR A 593 4.703 -10.692 -2.913 1.00 10.12 H new ATOM 0 HB THR A 593 6.028 -12.750 -3.361 1.00 51.20 H new ATOM 0 HG1 THR A 593 7.965 -10.882 -4.012 1.00 73.23 H new ATOM 0 HG21 THR A 593 5.745 -12.771 -5.819 1.00 2.14 H new ATOM 0 HG22 THR A 593 4.354 -12.034 -4.989 1.00 2.14 H new ATOM 0 HG23 THR A 593 5.556 -11.001 -5.800 1.00 2.14 H new ATOM 217 N VAL A 594 5.985 -11.575 -0.863 1.00 32.24 N ATOM 218 CA VAL A 594 6.585 -11.813 0.413 1.00 64.01 C ATOM 219 C VAL A 594 6.547 -13.303 0.720 1.00 23.54 C ATOM 220 O VAL A 594 5.506 -13.958 0.564 1.00 51.25 O ATOM 221 CB VAL A 594 5.917 -10.968 1.548 1.00 21.20 C ATOM 222 CG1 VAL A 594 4.422 -11.252 1.677 1.00 32.13 C ATOM 223 CG2 VAL A 594 6.619 -11.179 2.873 1.00 4.43 C ATOM 0 H VAL A 594 5.143 -12.123 -1.038 1.00 32.24 H new ATOM 0 HA VAL A 594 7.625 -11.488 0.372 1.00 64.01 H new ATOM 0 HB VAL A 594 6.024 -9.921 1.265 1.00 21.20 H new ATOM 0 HG11 VAL A 594 4.004 -10.642 2.478 1.00 32.13 H new ATOM 0 HG12 VAL A 594 3.923 -11.011 0.738 1.00 32.13 H new ATOM 0 HG13 VAL A 594 4.271 -12.307 1.907 1.00 32.13 H new ATOM 0 HG21 VAL A 594 6.133 -10.579 3.642 1.00 4.43 H new ATOM 0 HG22 VAL A 594 6.568 -12.232 3.148 1.00 4.43 H new ATOM 0 HG23 VAL A 594 7.663 -10.878 2.784 1.00 4.43 H new ATOM 229 N PHE A 595 7.677 -13.838 1.072 1.00 42.01 N ATOM 230 CA PHE A 595 7.801 -15.233 1.389 1.00 25.55 C ATOM 231 C PHE A 595 8.629 -15.403 2.640 1.00 70.25 C ATOM 232 O PHE A 595 9.679 -14.791 2.779 1.00 11.02 O ATOM 233 CB PHE A 595 8.390 -16.029 0.198 1.00 41.31 C ATOM 234 CG PHE A 595 9.747 -15.556 -0.289 1.00 41.40 C ATOM 235 CD1 PHE A 595 9.845 -14.537 -1.226 1.00 31.21 C ATOM 236 CD2 PHE A 595 10.916 -16.134 0.189 1.00 10.33 C ATOM 237 CE1 PHE A 595 11.077 -14.103 -1.672 1.00 24.35 C ATOM 238 CE2 PHE A 595 12.151 -15.702 -0.256 1.00 42.32 C ATOM 239 CZ PHE A 595 12.230 -14.687 -1.185 1.00 11.32 C ATOM 0 H PHE A 595 8.549 -13.315 1.149 1.00 42.01 H new ATOM 0 HA PHE A 595 6.808 -15.640 1.579 1.00 25.55 H new ATOM 0 HB2 PHE A 595 8.471 -17.077 0.487 1.00 41.31 H new ATOM 0 HB3 PHE A 595 7.687 -15.981 -0.633 1.00 41.31 H new ATOM 0 HD1 PHE A 595 8.946 -14.078 -1.611 1.00 31.21 H new ATOM 0 HD2 PHE A 595 10.859 -16.930 0.917 1.00 10.33 H new ATOM 0 HE1 PHE A 595 11.139 -13.308 -2.401 1.00 24.35 H new ATOM 0 HE2 PHE A 595 13.053 -16.159 0.124 1.00 42.32 H new ATOM 0 HZ PHE A 595 13.195 -14.348 -1.533 1.00 11.32 H new ATOM 249 N ASP A 596 8.168 -16.222 3.523 1.00 23.44 N ATOM 250 CA ASP A 596 8.821 -16.444 4.790 1.00 62.13 C ATOM 251 C ASP A 596 9.582 -17.724 4.747 1.00 14.33 C ATOM 252 O ASP A 596 8.999 -18.787 4.615 1.00 73.44 O ATOM 253 CB ASP A 596 7.779 -16.522 5.914 1.00 62.51 C ATOM 254 CG ASP A 596 7.045 -15.240 6.111 1.00 43.33 C ATOM 255 OD1 ASP A 596 7.521 -14.407 6.921 1.00 2.34 O ATOM 256 OD2 ASP A 596 6.003 -15.060 5.480 1.00 2.11 O ATOM 0 H ASP A 596 7.317 -16.769 3.394 1.00 23.44 H new ATOM 0 HA ASP A 596 9.502 -15.615 4.982 1.00 62.13 H new ATOM 0 HB2 ASP A 596 7.065 -17.313 5.687 1.00 62.51 H new ATOM 0 HB3 ASP A 596 8.275 -16.798 6.845 1.00 62.51 H new ATOM 261 N SER A 597 10.881 -17.630 4.867 1.00 35.01 N ATOM 262 CA SER A 597 11.746 -18.786 4.839 1.00 50.54 C ATOM 263 C SER A 597 11.534 -19.646 6.093 1.00 71.03 C ATOM 264 O SER A 597 11.430 -20.879 6.016 1.00 21.21 O ATOM 265 CB SER A 597 13.198 -18.320 4.755 1.00 72.40 C ATOM 266 OG SER A 597 13.381 -17.447 3.645 1.00 21.43 O ATOM 0 H SER A 597 11.374 -16.745 4.988 1.00 35.01 H new ATOM 0 HA SER A 597 11.508 -19.395 3.967 1.00 50.54 H new ATOM 0 HB2 SER A 597 13.475 -17.808 5.677 1.00 72.40 H new ATOM 0 HB3 SER A 597 13.857 -19.183 4.659 1.00 72.40 H new ATOM 0 HG SER A 597 14.316 -17.157 3.608 1.00 21.43 H new ATOM 272 N GLN A 598 11.411 -18.987 7.243 1.00 24.50 N ATOM 273 CA GLN A 598 11.222 -19.700 8.488 1.00 32.03 C ATOM 274 C GLN A 598 9.839 -20.306 8.667 1.00 61.31 C ATOM 275 O GLN A 598 9.683 -21.310 9.361 1.00 12.51 O ATOM 276 CB GLN A 598 11.726 -18.938 9.740 1.00 33.25 C ATOM 277 CG GLN A 598 11.385 -17.434 9.898 1.00 12.33 C ATOM 278 CD GLN A 598 9.910 -17.077 9.926 1.00 30.25 C ATOM 279 OE1 GLN A 598 9.289 -17.088 10.977 1.00 45.13 O ATOM 280 NE2 GLN A 598 9.373 -16.673 8.800 1.00 23.22 N ATOM 0 H GLN A 598 11.439 -17.971 7.331 1.00 24.50 H new ATOM 0 HA GLN A 598 11.887 -20.558 8.392 1.00 32.03 H new ATOM 0 HB2 GLN A 598 11.339 -19.456 10.617 1.00 33.25 H new ATOM 0 HB3 GLN A 598 12.812 -19.033 9.767 1.00 33.25 H new ATOM 0 HG2 GLN A 598 11.841 -17.075 10.821 1.00 12.33 H new ATOM 0 HG3 GLN A 598 11.853 -16.889 9.078 1.00 12.33 H new ATOM 0 HE21 GLN A 598 9.924 -16.678 7.942 1.00 23.22 H new ATOM 0 HE22 GLN A 598 8.404 -16.353 8.783 1.00 23.22 H new ATOM 288 N ALA A 599 8.857 -19.711 8.061 1.00 25.34 N ATOM 289 CA ALA A 599 7.502 -20.232 8.145 1.00 13.14 C ATOM 290 C ALA A 599 7.108 -21.066 6.914 1.00 51.45 C ATOM 291 O ALA A 599 6.142 -21.829 6.960 1.00 0.11 O ATOM 292 CB ALA A 599 6.514 -19.103 8.347 1.00 21.42 C ATOM 0 H ALA A 599 8.955 -18.865 7.500 1.00 25.34 H new ATOM 0 HA ALA A 599 7.475 -20.900 9.006 1.00 13.14 H new ATOM 0 HB1 ALA A 599 5.504 -19.509 8.408 1.00 21.42 H new ATOM 0 HB2 ALA A 599 6.749 -18.575 9.271 1.00 21.42 H new ATOM 0 HB3 ALA A 599 6.576 -18.410 7.508 1.00 21.42 H new ATOM 298 N GLY A 600 7.856 -20.923 5.825 1.00 41.31 N ATOM 299 CA GLY A 600 7.506 -21.607 4.574 1.00 54.15 C ATOM 300 C GLY A 600 6.186 -21.071 4.031 1.00 13.15 C ATOM 301 O GLY A 600 5.387 -21.806 3.448 1.00 43.32 O ATOM 0 H GLY A 600 8.698 -20.349 5.777 1.00 41.31 H new ATOM 0 HA2 GLY A 600 8.296 -21.461 3.838 1.00 54.15 H new ATOM 0 HA3 GLY A 600 7.427 -22.680 4.748 1.00 54.15 H new ATOM 305 N PHE A 601 5.992 -19.783 4.210 1.00 71.11 N ATOM 306 CA PHE A 601 4.733 -19.118 3.926 1.00 12.25 C ATOM 307 C PHE A 601 4.927 -18.108 2.789 1.00 61.03 C ATOM 308 O PHE A 601 6.015 -17.574 2.630 1.00 61.43 O ATOM 309 CB PHE A 601 4.304 -18.412 5.217 1.00 4.42 C ATOM 310 CG PHE A 601 2.971 -17.771 5.182 1.00 45.14 C ATOM 311 CD1 PHE A 601 1.840 -18.504 5.487 1.00 63.23 C ATOM 312 CD2 PHE A 601 2.839 -16.435 4.862 1.00 14.30 C ATOM 313 CE1 PHE A 601 0.602 -17.919 5.468 1.00 61.54 C ATOM 314 CE2 PHE A 601 1.609 -15.852 4.844 1.00 50.55 C ATOM 315 CZ PHE A 601 0.486 -16.592 5.147 1.00 31.11 C ATOM 0 H PHE A 601 6.715 -19.155 4.563 1.00 71.11 H new ATOM 0 HA PHE A 601 3.968 -19.827 3.608 1.00 12.25 H new ATOM 0 HB2 PHE A 601 4.317 -19.139 6.029 1.00 4.42 H new ATOM 0 HB3 PHE A 601 5.047 -17.652 5.458 1.00 4.42 H new ATOM 0 HD1 PHE A 601 1.933 -19.549 5.743 1.00 63.23 H new ATOM 0 HD2 PHE A 601 3.715 -15.850 4.625 1.00 14.30 H new ATOM 0 HE1 PHE A 601 -0.277 -18.500 5.705 1.00 61.54 H new ATOM 0 HE2 PHE A 601 1.513 -14.806 4.592 1.00 50.55 H new ATOM 0 HZ PHE A 601 -0.488 -16.125 5.131 1.00 31.11 H new ATOM 325 N SER A 602 3.908 -17.900 1.958 1.00 71.12 N ATOM 326 CA SER A 602 4.018 -16.936 0.863 1.00 2.32 C ATOM 327 C SER A 602 2.717 -16.135 0.584 1.00 33.42 C ATOM 328 O SER A 602 1.604 -16.656 0.724 1.00 44.32 O ATOM 329 CB SER A 602 4.482 -17.639 -0.408 1.00 52.34 C ATOM 330 OG SER A 602 5.758 -18.231 -0.218 1.00 32.30 O ATOM 0 H SER A 602 3.009 -18.378 2.019 1.00 71.12 H new ATOM 0 HA SER A 602 4.757 -16.202 1.185 1.00 2.32 H new ATOM 0 HB2 SER A 602 3.759 -18.404 -0.690 1.00 52.34 H new ATOM 0 HB3 SER A 602 4.526 -16.924 -1.229 1.00 52.34 H new ATOM 0 HG SER A 602 6.037 -18.678 -1.044 1.00 32.30 H new ATOM 336 N PHE A 603 2.894 -14.868 0.202 1.00 24.32 N ATOM 337 CA PHE A 603 1.822 -13.998 -0.306 1.00 64.11 C ATOM 338 C PHE A 603 2.317 -13.190 -1.497 1.00 71.52 C ATOM 339 O PHE A 603 3.487 -12.774 -1.539 1.00 5.34 O ATOM 340 CB PHE A 603 1.287 -12.982 0.731 1.00 20.03 C ATOM 341 CG PHE A 603 0.318 -13.479 1.763 1.00 2.41 C ATOM 342 CD1 PHE A 603 -0.773 -14.243 1.396 1.00 71.35 C ATOM 343 CD2 PHE A 603 0.457 -13.119 3.088 1.00 23.13 C ATOM 344 CE1 PHE A 603 -1.701 -14.643 2.327 1.00 3.00 C ATOM 345 CE2 PHE A 603 -0.469 -13.522 4.031 1.00 70.21 C ATOM 346 CZ PHE A 603 -1.550 -14.285 3.648 1.00 75.30 C ATOM 0 H PHE A 603 3.803 -14.406 0.236 1.00 24.32 H new ATOM 0 HA PHE A 603 1.013 -14.679 -0.572 1.00 64.11 H new ATOM 0 HB2 PHE A 603 2.143 -12.555 1.254 1.00 20.03 H new ATOM 0 HB3 PHE A 603 0.808 -12.168 0.186 1.00 20.03 H new ATOM 0 HD1 PHE A 603 -0.898 -14.530 0.362 1.00 71.35 H new ATOM 0 HD2 PHE A 603 1.299 -12.515 3.391 1.00 23.13 H new ATOM 0 HE1 PHE A 603 -2.549 -15.238 2.023 1.00 3.00 H new ATOM 0 HE2 PHE A 603 -0.346 -13.239 5.066 1.00 70.21 H new ATOM 0 HZ PHE A 603 -2.277 -14.601 4.381 1.00 75.30 H new ATOM 356 N ASP A 604 1.448 -12.975 -2.456 1.00 4.34 N ATOM 357 CA ASP A 604 1.723 -12.062 -3.549 1.00 63.33 C ATOM 358 C ASP A 604 0.571 -11.092 -3.595 1.00 73.54 C ATOM 359 O ASP A 604 -0.585 -11.492 -3.497 1.00 1.21 O ATOM 360 CB ASP A 604 1.927 -12.761 -4.923 1.00 15.11 C ATOM 361 CG ASP A 604 0.680 -13.360 -5.539 1.00 4.24 C ATOM 362 OD1 ASP A 604 0.392 -14.551 -5.295 1.00 2.32 O ATOM 363 OD2 ASP A 604 0.001 -12.657 -6.317 1.00 24.31 O ATOM 0 H ASP A 604 0.533 -13.424 -2.504 1.00 4.34 H new ATOM 0 HA ASP A 604 2.673 -11.560 -3.364 1.00 63.33 H new ATOM 0 HB2 ASP A 604 2.345 -12.036 -5.622 1.00 15.11 H new ATOM 0 HB3 ASP A 604 2.668 -13.551 -4.803 1.00 15.11 H new ATOM 368 N LEU A 605 0.861 -9.833 -3.699 1.00 72.34 N ATOM 369 CA LEU A 605 -0.189 -8.829 -3.600 1.00 21.34 C ATOM 370 C LEU A 605 -0.278 -8.025 -4.878 1.00 64.41 C ATOM 371 O LEU A 605 -0.789 -6.896 -4.901 1.00 13.21 O ATOM 372 CB LEU A 605 0.094 -7.941 -2.396 1.00 15.10 C ATOM 373 CG LEU A 605 0.242 -8.684 -1.055 1.00 15.22 C ATOM 374 CD1 LEU A 605 0.669 -7.733 0.020 1.00 43.32 C ATOM 375 CD2 LEU A 605 -1.061 -9.393 -0.653 1.00 23.31 C ATOM 0 H LEU A 605 1.800 -9.464 -3.851 1.00 72.34 H new ATOM 0 HA LEU A 605 -1.155 -9.314 -3.461 1.00 21.34 H new ATOM 0 HB2 LEU A 605 1.009 -7.380 -2.585 1.00 15.10 H new ATOM 0 HB3 LEU A 605 -0.713 -7.214 -2.303 1.00 15.10 H new ATOM 0 HG LEU A 605 1.009 -9.448 -1.182 1.00 15.22 H new ATOM 0 HD11 LEU A 605 0.770 -8.271 0.963 1.00 43.32 H new ATOM 0 HD12 LEU A 605 1.627 -7.287 -0.248 1.00 43.32 H new ATOM 0 HD13 LEU A 605 -0.079 -6.947 0.129 1.00 43.32 H new ATOM 0 HD21 LEU A 605 -0.918 -9.906 0.298 1.00 23.31 H new ATOM 0 HD22 LEU A 605 -1.859 -8.658 -0.552 1.00 23.31 H new ATOM 0 HD23 LEU A 605 -1.332 -10.119 -1.420 1.00 23.31 H new ATOM 383 N THR A 606 0.171 -8.633 -5.949 1.00 61.42 N ATOM 384 CA THR A 606 0.136 -8.050 -7.246 1.00 41.24 C ATOM 385 C THR A 606 -1.326 -7.676 -7.701 1.00 74.24 C ATOM 386 O THR A 606 -1.543 -6.556 -8.140 1.00 73.11 O ATOM 387 CB THR A 606 0.838 -8.981 -8.239 1.00 10.14 C ATOM 388 OG1 THR A 606 2.156 -9.262 -7.724 1.00 41.10 O ATOM 389 CG2 THR A 606 0.972 -8.321 -9.587 1.00 40.43 C ATOM 0 H THR A 606 0.578 -9.568 -5.931 1.00 61.42 H new ATOM 0 HA THR A 606 0.675 -7.103 -7.215 1.00 41.24 H new ATOM 0 HB THR A 606 0.254 -9.894 -8.358 1.00 10.14 H new ATOM 0 HG1 THR A 606 2.451 -8.519 -7.157 1.00 41.10 H new ATOM 0 HG21 THR A 606 1.473 -9.000 -10.276 1.00 40.43 H new ATOM 0 HG22 THR A 606 -0.018 -8.078 -9.973 1.00 40.43 H new ATOM 0 HG23 THR A 606 1.558 -7.407 -9.488 1.00 40.43 H new ATOM 395 N PRO A 607 -2.366 -8.579 -7.550 1.00 63.22 N ATOM 396 CA PRO A 607 -3.759 -8.231 -7.922 1.00 13.01 C ATOM 397 C PRO A 607 -4.354 -7.175 -6.984 1.00 1.12 C ATOM 398 O PRO A 607 -5.410 -6.596 -7.259 1.00 0.45 O ATOM 399 CB PRO A 607 -4.533 -9.553 -7.762 1.00 63.24 C ATOM 400 CG PRO A 607 -3.493 -10.615 -7.680 1.00 21.21 C ATOM 401 CD PRO A 607 -2.285 -9.977 -7.064 1.00 72.04 C ATOM 0 HA PRO A 607 -3.809 -7.811 -8.927 1.00 13.01 H new ATOM 0 HB2 PRO A 607 -5.152 -9.539 -6.865 1.00 63.24 H new ATOM 0 HB3 PRO A 607 -5.201 -9.722 -8.607 1.00 63.24 H new ATOM 0 HG2 PRO A 607 -3.840 -11.453 -7.076 1.00 21.21 H new ATOM 0 HG3 PRO A 607 -3.262 -11.010 -8.669 1.00 21.21 H new ATOM 0 HD2 PRO A 607 -2.311 -10.029 -5.976 1.00 72.04 H new ATOM 0 HD3 PRO A 607 -1.364 -10.463 -7.384 1.00 72.04 H new ATOM 409 N LEU A 608 -3.669 -6.930 -5.887 1.00 21.22 N ATOM 410 CA LEU A 608 -4.118 -6.000 -4.882 1.00 11.42 C ATOM 411 C LEU A 608 -3.560 -4.603 -5.265 1.00 21.33 C ATOM 412 O LEU A 608 -4.048 -3.584 -4.839 1.00 1.52 O ATOM 413 CB LEU A 608 -3.568 -6.487 -3.506 1.00 1.21 C ATOM 414 CG LEU A 608 -4.338 -6.122 -2.223 1.00 64.33 C ATOM 415 CD1 LEU A 608 -3.713 -6.823 -1.042 1.00 21.24 C ATOM 416 CD2 LEU A 608 -4.304 -4.665 -1.962 1.00 23.54 C ATOM 0 H LEU A 608 -2.778 -7.376 -5.669 1.00 21.22 H new ATOM 0 HA LEU A 608 -5.204 -5.939 -4.816 1.00 11.42 H new ATOM 0 HB2 LEU A 608 -3.494 -7.574 -3.547 1.00 1.21 H new ATOM 0 HB3 LEU A 608 -2.554 -6.102 -3.402 1.00 1.21 H new ATOM 0 HG LEU A 608 -5.373 -6.434 -2.362 1.00 64.33 H new ATOM 0 HD11 LEU A 608 -4.259 -6.564 -0.135 1.00 21.24 H new ATOM 0 HD12 LEU A 608 -3.755 -7.901 -1.195 1.00 21.24 H new ATOM 0 HD13 LEU A 608 -2.674 -6.511 -0.942 1.00 21.24 H new ATOM 0 HD21 LEU A 608 -4.858 -4.446 -1.049 1.00 23.54 H new ATOM 0 HD22 LEU A 608 -3.270 -4.340 -1.846 1.00 23.54 H new ATOM 0 HD23 LEU A 608 -4.759 -4.135 -2.798 1.00 23.54 H new ATOM 424 N THR A 609 -2.543 -4.599 -6.105 1.00 54.41 N ATOM 425 CA THR A 609 -1.899 -3.383 -6.571 1.00 11.22 C ATOM 426 C THR A 609 -2.776 -2.696 -7.640 1.00 75.33 C ATOM 427 O THR A 609 -3.258 -3.356 -8.565 1.00 41.25 O ATOM 428 CB THR A 609 -0.520 -3.732 -7.185 1.00 61.45 C ATOM 429 OG1 THR A 609 0.274 -4.447 -6.218 1.00 51.34 O ATOM 430 CG2 THR A 609 0.228 -2.482 -7.612 1.00 41.41 C ATOM 0 H THR A 609 -2.134 -5.451 -6.489 1.00 54.41 H new ATOM 0 HA THR A 609 -1.766 -2.705 -5.728 1.00 11.22 H new ATOM 0 HB THR A 609 -0.692 -4.351 -8.066 1.00 61.45 H new ATOM 0 HG1 THR A 609 -0.158 -5.301 -6.008 1.00 51.34 H new ATOM 0 HG21 THR A 609 1.191 -2.762 -8.038 1.00 41.41 H new ATOM 0 HG22 THR A 609 -0.357 -1.945 -8.359 1.00 41.41 H new ATOM 0 HG23 THR A 609 0.388 -1.840 -6.746 1.00 41.41 H new ATOM 436 N LYS A 610 -2.976 -1.397 -7.518 1.00 42.53 N ATOM 437 CA LYS A 610 -3.800 -0.665 -8.473 1.00 4.31 C ATOM 438 C LYS A 610 -2.947 0.238 -9.327 1.00 31.04 C ATOM 439 O LYS A 610 -1.953 0.772 -8.859 1.00 72.42 O ATOM 440 CB LYS A 610 -4.854 0.193 -7.771 1.00 13.40 C ATOM 441 CG LYS A 610 -5.872 -0.579 -6.951 1.00 1.45 C ATOM 442 CD LYS A 610 -6.982 0.342 -6.449 1.00 4.13 C ATOM 443 CE LYS A 610 -8.059 -0.427 -5.687 1.00 70.42 C ATOM 444 NZ LYS A 610 -9.136 0.468 -5.187 1.00 33.41 N ATOM 0 H LYS A 610 -2.582 -0.825 -6.771 1.00 42.53 H new ATOM 0 HA LYS A 610 -4.300 -1.410 -9.092 1.00 4.31 H new ATOM 0 HB2 LYS A 610 -4.346 0.902 -7.117 1.00 13.40 H new ATOM 0 HB3 LYS A 610 -5.384 0.777 -8.523 1.00 13.40 H new ATOM 0 HG2 LYS A 610 -6.302 -1.377 -7.556 1.00 1.45 H new ATOM 0 HG3 LYS A 610 -5.377 -1.054 -6.104 1.00 1.45 H new ATOM 0 HD2 LYS A 610 -6.554 1.106 -5.800 1.00 4.13 H new ATOM 0 HD3 LYS A 610 -7.435 0.859 -7.295 1.00 4.13 H new ATOM 0 HE2 LYS A 610 -8.492 -1.186 -6.339 1.00 70.42 H new ATOM 0 HE3 LYS A 610 -7.604 -0.951 -4.846 1.00 70.42 H new ATOM 0 HZ1 LYS A 610 -9.846 -0.095 -4.676 1.00 33.41 H new ATOM 0 HZ2 LYS A 610 -8.728 1.177 -4.544 1.00 33.41 H new ATOM 0 HZ3 LYS A 610 -9.589 0.949 -5.990 1.00 33.41 H new ATOM 458 N LYS A 611 -3.338 0.413 -10.569 1.00 1.10 N ATOM 459 CA LYS A 611 -2.632 1.318 -11.469 1.00 72.31 C ATOM 460 C LYS A 611 -2.973 2.773 -11.126 1.00 23.33 C ATOM 461 O LYS A 611 -2.225 3.693 -11.446 1.00 75.14 O ATOM 462 CB LYS A 611 -2.983 1.032 -12.943 1.00 20.24 C ATOM 463 CG LYS A 611 -4.451 1.235 -13.286 1.00 41.50 C ATOM 464 CD LYS A 611 -4.737 0.988 -14.754 1.00 72.04 C ATOM 465 CE LYS A 611 -6.206 1.232 -15.068 1.00 40.05 C ATOM 466 NZ LYS A 611 -6.517 0.986 -16.490 1.00 62.33 N ATOM 0 H LYS A 611 -4.141 -0.057 -10.986 1.00 1.10 H new ATOM 0 HA LYS A 611 -1.562 1.154 -11.337 1.00 72.31 H new ATOM 0 HB2 LYS A 611 -2.380 1.679 -13.580 1.00 20.24 H new ATOM 0 HB3 LYS A 611 -2.705 0.004 -13.178 1.00 20.24 H new ATOM 0 HG2 LYS A 611 -5.060 0.563 -12.681 1.00 41.50 H new ATOM 0 HG3 LYS A 611 -4.745 2.252 -13.027 1.00 41.50 H new ATOM 0 HD2 LYS A 611 -4.116 1.643 -15.365 1.00 72.04 H new ATOM 0 HD3 LYS A 611 -4.471 -0.037 -15.013 1.00 72.04 H new ATOM 0 HE2 LYS A 611 -6.822 0.584 -14.445 1.00 40.05 H new ATOM 0 HE3 LYS A 611 -6.465 2.260 -14.813 1.00 40.05 H new ATOM 0 HZ1 LYS A 611 -7.527 1.164 -16.660 1.00 62.33 H new ATOM 0 HZ2 LYS A 611 -5.948 1.622 -17.085 1.00 62.33 H new ATOM 0 HZ3 LYS A 611 -6.294 -0.002 -16.728 1.00 62.33 H new ATOM 480 N ASP A 612 -4.119 2.965 -10.481 1.00 10.13 N ATOM 481 CA ASP A 612 -4.595 4.303 -10.106 1.00 55.11 C ATOM 482 C ASP A 612 -4.183 4.644 -8.704 1.00 71.34 C ATOM 483 O ASP A 612 -4.297 5.791 -8.282 1.00 70.12 O ATOM 484 CB ASP A 612 -6.122 4.411 -10.206 1.00 2.25 C ATOM 485 CG ASP A 612 -6.660 4.317 -11.610 1.00 51.43 C ATOM 486 OD1 ASP A 612 -6.806 3.197 -12.130 1.00 25.21 O ATOM 487 OD2 ASP A 612 -7.004 5.371 -12.200 1.00 35.11 O ATOM 0 H ASP A 612 -4.744 2.208 -10.203 1.00 10.13 H new ATOM 0 HA ASP A 612 -4.142 5.004 -10.807 1.00 55.11 H new ATOM 0 HB2 ASP A 612 -6.571 3.621 -9.604 1.00 2.25 H new ATOM 0 HB3 ASP A 612 -6.437 5.360 -9.772 1.00 2.25 H new ATOM 492 N ALA A 613 -3.709 3.633 -7.984 1.00 70.13 N ATOM 493 CA ALA A 613 -3.279 3.745 -6.586 1.00 75.31 C ATOM 494 C ALA A 613 -4.442 4.021 -5.609 1.00 54.32 C ATOM 495 O ALA A 613 -5.581 4.310 -6.007 1.00 0.32 O ATOM 496 CB ALA A 613 -2.156 4.765 -6.414 1.00 52.41 C ATOM 0 H ALA A 613 -3.609 2.690 -8.360 1.00 70.13 H new ATOM 0 HA ALA A 613 -2.883 2.764 -6.322 1.00 75.31 H new ATOM 0 HB1 ALA A 613 -1.868 4.816 -5.364 1.00 52.41 H new ATOM 0 HB2 ALA A 613 -1.296 4.463 -7.012 1.00 52.41 H new ATOM 0 HB3 ALA A 613 -2.501 5.745 -6.744 1.00 52.41 H new ATOM 502 N TYR A 614 -4.128 3.915 -4.346 1.00 4.30 N ATOM 503 CA TYR A 614 -5.060 4.102 -3.242 1.00 52.03 C ATOM 504 C TYR A 614 -4.943 5.491 -2.664 1.00 41.41 C ATOM 505 O TYR A 614 -3.861 6.078 -2.660 1.00 71.41 O ATOM 506 CB TYR A 614 -4.757 3.076 -2.141 1.00 2.52 C ATOM 507 CG TYR A 614 -5.031 1.663 -2.555 1.00 32.33 C ATOM 508 CD1 TYR A 614 -4.184 0.983 -3.425 1.00 41.10 C ATOM 509 CD2 TYR A 614 -6.150 1.013 -2.098 1.00 3.13 C ATOM 510 CE1 TYR A 614 -4.463 -0.299 -3.824 1.00 33.25 C ATOM 511 CE2 TYR A 614 -6.427 -0.266 -2.482 1.00 43.24 C ATOM 512 CZ TYR A 614 -5.592 -0.916 -3.343 1.00 32.33 C ATOM 513 OH TYR A 614 -5.899 -2.173 -3.742 1.00 41.21 O ATOM 0 H TYR A 614 -3.183 3.688 -4.035 1.00 4.30 H new ATOM 0 HA TYR A 614 -6.073 3.965 -3.621 1.00 52.03 H new ATOM 0 HB2 TYR A 614 -3.711 3.165 -1.849 1.00 2.52 H new ATOM 0 HB3 TYR A 614 -5.355 3.311 -1.260 1.00 2.52 H new ATOM 0 HD1 TYR A 614 -3.294 1.472 -3.791 1.00 41.10 H new ATOM 0 HD2 TYR A 614 -6.822 1.523 -1.423 1.00 3.13 H new ATOM 0 HE1 TYR A 614 -3.805 -0.816 -4.506 1.00 33.25 H new ATOM 0 HE2 TYR A 614 -7.308 -0.764 -2.104 1.00 43.24 H new ATOM 0 HH TYR A 614 -5.133 -2.564 -4.212 1.00 41.21 H new ATOM 523 N LYS A 615 -6.052 6.029 -2.206 1.00 50.44 N ATOM 524 CA LYS A 615 -6.053 7.310 -1.570 1.00 55.34 C ATOM 525 C LYS A 615 -6.672 7.244 -0.230 1.00 13.42 C ATOM 526 O LYS A 615 -7.721 6.628 -0.024 1.00 41.44 O ATOM 527 CB LYS A 615 -6.697 8.473 -2.382 1.00 43.23 C ATOM 528 CG LYS A 615 -8.157 8.284 -2.783 1.00 42.01 C ATOM 529 CD LYS A 615 -8.307 7.927 -4.261 1.00 2.31 C ATOM 530 CE LYS A 615 -7.452 6.760 -4.622 1.00 52.45 C ATOM 531 NZ LYS A 615 -7.586 6.339 -6.029 1.00 22.04 N ATOM 0 H LYS A 615 -6.969 5.587 -2.268 1.00 50.44 H new ATOM 0 HA LYS A 615 -4.994 7.557 -1.495 1.00 55.34 H new ATOM 0 HB2 LYS A 615 -6.619 9.387 -1.793 1.00 43.23 H new ATOM 0 HB3 LYS A 615 -6.110 8.626 -3.287 1.00 43.23 H new ATOM 0 HG2 LYS A 615 -8.600 7.496 -2.174 1.00 42.01 H new ATOM 0 HG3 LYS A 615 -8.711 9.199 -2.574 1.00 42.01 H new ATOM 0 HD2 LYS A 615 -9.350 7.698 -4.479 1.00 2.31 H new ATOM 0 HD3 LYS A 615 -8.034 8.785 -4.875 1.00 2.31 H new ATOM 0 HE2 LYS A 615 -6.410 7.010 -4.425 1.00 52.45 H new ATOM 0 HE3 LYS A 615 -7.707 5.921 -3.975 1.00 52.45 H new ATOM 0 HZ1 LYS A 615 -6.915 5.569 -6.226 1.00 22.04 H new ATOM 0 HZ2 LYS A 615 -8.556 6.006 -6.201 1.00 22.04 H new ATOM 0 HZ3 LYS A 615 -7.381 7.145 -6.654 1.00 22.04 H new ATOM 545 N VAL A 616 -6.010 7.842 0.641 1.00 71.34 N ATOM 546 CA VAL A 616 -6.437 8.027 2.004 1.00 55.45 C ATOM 547 C VAL A 616 -6.673 9.507 2.151 1.00 64.42 C ATOM 548 O VAL A 616 -5.762 10.290 1.957 1.00 40.32 O ATOM 549 CB VAL A 616 -5.327 7.609 3.005 1.00 64.55 C ATOM 550 CG1 VAL A 616 -5.810 7.703 4.448 1.00 13.52 C ATOM 551 CG2 VAL A 616 -4.790 6.226 2.694 1.00 3.21 C ATOM 0 H VAL A 616 -5.097 8.254 0.449 1.00 71.34 H new ATOM 0 HA VAL A 616 -7.320 7.423 2.214 1.00 55.45 H new ATOM 0 HB VAL A 616 -4.504 8.315 2.888 1.00 64.55 H new ATOM 0 HG11 VAL A 616 -5.007 7.403 5.121 1.00 13.52 H new ATOM 0 HG12 VAL A 616 -6.103 8.730 4.668 1.00 13.52 H new ATOM 0 HG13 VAL A 616 -6.666 7.044 4.589 1.00 13.52 H new ATOM 0 HG21 VAL A 616 -4.015 5.966 3.415 1.00 3.21 H new ATOM 0 HG22 VAL A 616 -5.600 5.499 2.754 1.00 3.21 H new ATOM 0 HG23 VAL A 616 -4.369 6.217 1.689 1.00 3.21 H new ATOM 557 N GLU A 617 -7.855 9.900 2.461 1.00 73.02 N ATOM 558 CA GLU A 617 -8.162 11.304 2.497 1.00 54.12 C ATOM 559 C GLU A 617 -8.469 11.788 3.895 1.00 43.15 C ATOM 560 O GLU A 617 -9.258 11.183 4.618 1.00 30.55 O ATOM 561 CB GLU A 617 -9.325 11.624 1.555 1.00 44.22 C ATOM 562 CG GLU A 617 -9.056 11.260 0.102 1.00 32.41 C ATOM 563 CD GLU A 617 -10.221 11.569 -0.799 1.00 41.03 C ATOM 564 OE1 GLU A 617 -11.140 10.719 -0.916 1.00 73.20 O ATOM 565 OE2 GLU A 617 -10.238 12.651 -1.413 1.00 54.34 O ATOM 0 H GLU A 617 -8.631 9.281 2.695 1.00 73.02 H new ATOM 0 HA GLU A 617 -7.272 11.835 2.159 1.00 54.12 H new ATOM 0 HB2 GLU A 617 -10.213 11.091 1.895 1.00 44.22 H new ATOM 0 HB3 GLU A 617 -9.549 12.689 1.618 1.00 44.22 H new ATOM 0 HG2 GLU A 617 -8.178 11.803 -0.248 1.00 32.41 H new ATOM 0 HG3 GLU A 617 -8.822 10.198 0.035 1.00 32.41 H new ATOM 572 N THR A 618 -7.838 12.869 4.263 1.00 32.11 N ATOM 573 CA THR A 618 -8.092 13.547 5.504 1.00 32.23 C ATOM 574 C THR A 618 -8.351 14.998 5.133 1.00 73.03 C ATOM 575 O THR A 618 -8.265 15.349 3.940 1.00 32.21 O ATOM 576 CB THR A 618 -6.880 13.459 6.503 1.00 5.32 C ATOM 577 OG1 THR A 618 -5.730 14.104 5.952 1.00 62.24 O ATOM 578 CG2 THR A 618 -6.522 12.007 6.819 1.00 61.22 C ATOM 0 H THR A 618 -7.116 13.313 3.695 1.00 32.11 H new ATOM 0 HA THR A 618 -8.935 13.084 6.017 1.00 32.23 H new ATOM 0 HB THR A 618 -7.183 13.959 7.423 1.00 5.32 H new ATOM 0 HG1 THR A 618 -5.649 13.873 5.003 1.00 62.24 H new ATOM 0 HG21 THR A 618 -5.681 11.982 7.512 1.00 61.22 H new ATOM 0 HG22 THR A 618 -7.380 11.511 7.272 1.00 61.22 H new ATOM 0 HG23 THR A 618 -6.249 11.491 5.898 1.00 61.22 H new ATOM 584 N ASP A 619 -8.662 15.832 6.080 1.00 24.32 N ATOM 585 CA ASP A 619 -8.928 17.230 5.766 1.00 52.15 C ATOM 586 C ASP A 619 -7.662 17.975 5.439 1.00 25.31 C ATOM 587 O ASP A 619 -7.656 18.855 4.584 1.00 52.13 O ATOM 588 CB ASP A 619 -9.706 17.935 6.873 1.00 11.45 C ATOM 589 CG ASP A 619 -11.092 17.380 7.036 1.00 12.25 C ATOM 590 OD1 ASP A 619 -11.268 16.412 7.816 1.00 62.41 O ATOM 591 OD2 ASP A 619 -12.030 17.893 6.386 1.00 34.32 O ATOM 0 H ASP A 619 -8.741 15.587 7.067 1.00 24.32 H new ATOM 0 HA ASP A 619 -9.559 17.233 4.877 1.00 52.15 H new ATOM 0 HB2 ASP A 619 -9.165 17.837 7.814 1.00 11.45 H new ATOM 0 HB3 ASP A 619 -9.767 19.000 6.650 1.00 11.45 H new ATOM 596 N LYS A 620 -6.583 17.612 6.093 1.00 64.01 N ATOM 597 CA LYS A 620 -5.317 18.270 5.857 1.00 5.24 C ATOM 598 C LYS A 620 -4.587 17.689 4.659 1.00 4.24 C ATOM 599 O LYS A 620 -4.107 18.437 3.806 1.00 12.23 O ATOM 600 CB LYS A 620 -4.418 18.217 7.093 1.00 74.32 C ATOM 601 CG LYS A 620 -4.975 18.941 8.307 1.00 64.10 C ATOM 602 CD LYS A 620 -4.040 18.838 9.508 1.00 13.41 C ATOM 603 CE LYS A 620 -2.688 19.500 9.248 1.00 53.22 C ATOM 604 NZ LYS A 620 -1.786 19.383 10.410 1.00 45.43 N ATOM 0 H LYS A 620 -6.555 16.868 6.790 1.00 64.01 H new ATOM 0 HA LYS A 620 -5.548 19.313 5.639 1.00 5.24 H new ATOM 0 HB2 LYS A 620 -4.244 17.174 7.356 1.00 74.32 H new ATOM 0 HB3 LYS A 620 -3.449 18.648 6.841 1.00 74.32 H new ATOM 0 HG2 LYS A 620 -5.137 19.991 8.061 1.00 64.10 H new ATOM 0 HG3 LYS A 620 -5.947 18.521 8.566 1.00 64.10 H new ATOM 0 HD2 LYS A 620 -4.510 19.305 10.373 1.00 13.41 H new ATOM 0 HD3 LYS A 620 -3.886 17.788 9.757 1.00 13.41 H new ATOM 0 HE2 LYS A 620 -2.220 19.040 8.377 1.00 53.22 H new ATOM 0 HE3 LYS A 620 -2.839 20.553 9.010 1.00 53.22 H new ATOM 0 HZ1 LYS A 620 -0.879 19.844 10.194 1.00 45.43 H new ATOM 0 HZ2 LYS A 620 -2.221 19.844 11.235 1.00 45.43 H new ATOM 0 HZ3 LYS A 620 -1.621 18.378 10.622 1.00 45.43 H new ATOM 618 N TYR A 621 -4.509 16.367 4.571 1.00 15.45 N ATOM 619 CA TYR A 621 -3.735 15.742 3.497 1.00 41.12 C ATOM 620 C TYR A 621 -4.508 14.608 2.865 1.00 41.15 C ATOM 621 O TYR A 621 -5.530 14.168 3.375 1.00 40.35 O ATOM 622 CB TYR A 621 -2.438 15.119 4.052 1.00 23.41 C ATOM 623 CG TYR A 621 -1.622 15.996 4.959 1.00 63.30 C ATOM 624 CD1 TYR A 621 -0.818 17.006 4.461 1.00 60.35 C ATOM 625 CD2 TYR A 621 -1.664 15.802 6.332 1.00 55.41 C ATOM 626 CE1 TYR A 621 -0.076 17.803 5.307 1.00 73.23 C ATOM 627 CE2 TYR A 621 -0.934 16.587 7.185 1.00 42.21 C ATOM 628 CZ TYR A 621 -0.139 17.591 6.671 1.00 21.15 C ATOM 629 OH TYR A 621 0.594 18.381 7.521 1.00 0.54 O ATOM 0 H TYR A 621 -4.960 15.716 5.213 1.00 15.45 H new ATOM 0 HA TYR A 621 -3.520 16.525 2.770 1.00 41.12 H new ATOM 0 HB2 TYR A 621 -2.698 14.211 4.595 1.00 23.41 H new ATOM 0 HB3 TYR A 621 -1.813 14.819 3.211 1.00 23.41 H new ATOM 0 HD1 TYR A 621 -0.771 17.172 3.395 1.00 60.35 H new ATOM 0 HD2 TYR A 621 -2.285 15.016 6.737 1.00 55.41 H new ATOM 0 HE1 TYR A 621 0.550 18.587 4.907 1.00 73.23 H new ATOM 0 HE2 TYR A 621 -0.980 16.421 8.251 1.00 42.21 H new ATOM 0 HH TYR A 621 0.435 18.101 8.447 1.00 0.54 H new ATOM 639 N GLU A 622 -4.026 14.155 1.771 1.00 14.43 N ATOM 640 CA GLU A 622 -4.489 12.955 1.173 1.00 21.42 C ATOM 641 C GLU A 622 -3.288 12.131 0.795 1.00 34.21 C ATOM 642 O GLU A 622 -2.345 12.633 0.181 1.00 64.24 O ATOM 643 CB GLU A 622 -5.427 13.192 -0.001 1.00 64.34 C ATOM 644 CG GLU A 622 -4.877 14.059 -1.094 1.00 22.34 C ATOM 645 CD GLU A 622 -5.837 14.169 -2.219 1.00 23.42 C ATOM 646 OE1 GLU A 622 -6.833 14.902 -2.093 1.00 1.11 O ATOM 647 OE2 GLU A 622 -5.636 13.491 -3.245 1.00 51.14 O ATOM 0 H GLU A 622 -3.280 14.617 1.251 1.00 14.43 H new ATOM 0 HA GLU A 622 -5.098 12.410 1.894 1.00 21.42 H new ATOM 0 HB2 GLU A 622 -5.700 12.227 -0.428 1.00 64.34 H new ATOM 0 HB3 GLU A 622 -6.344 13.646 0.374 1.00 64.34 H new ATOM 0 HG2 GLU A 622 -4.658 15.051 -0.700 1.00 22.34 H new ATOM 0 HG3 GLU A 622 -3.936 13.644 -1.454 1.00 22.34 H new ATOM 654 N PHE A 623 -3.316 10.903 1.149 1.00 15.01 N ATOM 655 CA PHE A 623 -2.176 10.060 0.996 1.00 72.10 C ATOM 656 C PHE A 623 -2.438 9.089 -0.106 1.00 32.30 C ATOM 657 O PHE A 623 -3.460 8.417 -0.120 1.00 73.01 O ATOM 658 CB PHE A 623 -1.921 9.286 2.303 1.00 55.22 C ATOM 659 CG PHE A 623 -1.833 10.157 3.540 1.00 10.32 C ATOM 660 CD1 PHE A 623 -2.983 10.562 4.209 1.00 23.21 C ATOM 661 CD2 PHE A 623 -0.612 10.568 4.027 1.00 4.24 C ATOM 662 CE1 PHE A 623 -2.906 11.355 5.331 1.00 52.01 C ATOM 663 CE2 PHE A 623 -0.530 11.363 5.150 1.00 13.34 C ATOM 664 CZ PHE A 623 -1.677 11.758 5.802 1.00 63.30 C ATOM 0 H PHE A 623 -4.131 10.444 1.556 1.00 15.01 H new ATOM 0 HA PHE A 623 -1.302 10.667 0.761 1.00 72.10 H new ATOM 0 HB2 PHE A 623 -2.721 8.559 2.442 1.00 55.22 H new ATOM 0 HB3 PHE A 623 -0.993 8.724 2.203 1.00 55.22 H new ATOM 0 HD1 PHE A 623 -3.950 10.250 3.843 1.00 23.21 H new ATOM 0 HD2 PHE A 623 0.293 10.263 3.522 1.00 4.24 H new ATOM 0 HE1 PHE A 623 -3.808 11.660 5.841 1.00 52.01 H new ATOM 0 HE2 PHE A 623 0.435 11.677 5.519 1.00 13.34 H new ATOM 0 HZ PHE A 623 -1.612 12.382 6.681 1.00 63.30 H new ATOM 674 N HIS A 624 -1.561 9.045 -1.047 1.00 54.21 N ATOM 675 CA HIS A 624 -1.686 8.121 -2.118 1.00 12.33 C ATOM 676 C HIS A 624 -0.657 7.053 -1.957 1.00 75.52 C ATOM 677 O HIS A 624 0.542 7.331 -1.932 1.00 60.34 O ATOM 678 CB HIS A 624 -1.592 8.814 -3.476 1.00 4.34 C ATOM 679 CG HIS A 624 -2.744 9.743 -3.751 1.00 33.52 C ATOM 680 ND1 HIS A 624 -3.875 9.339 -4.403 1.00 0.53 N ATOM 681 CD2 HIS A 624 -2.938 11.056 -3.452 1.00 71.35 C ATOM 682 CE1 HIS A 624 -4.722 10.339 -4.501 1.00 4.24 C ATOM 683 NE2 HIS A 624 -4.180 11.397 -3.934 1.00 71.31 N ATOM 0 H HIS A 624 -0.739 9.647 -1.096 1.00 54.21 H new ATOM 0 HA HIS A 624 -2.675 7.663 -2.086 1.00 12.33 H new ATOM 0 HB2 HIS A 624 -0.660 9.377 -3.525 1.00 4.34 H new ATOM 0 HB3 HIS A 624 -1.549 8.058 -4.260 1.00 4.34 H new ATOM 0 HD2 HIS A 624 -2.248 11.706 -2.935 1.00 71.35 H new ATOM 0 HE1 HIS A 624 -5.696 10.300 -4.967 1.00 4.24 H new ATOM 0 HE2 HIS A 624 -4.611 12.319 -3.864 1.00 71.31 H new ATOM 692 N ILE A 625 -1.125 5.843 -1.823 1.00 3.43 N ATOM 693 CA ILE A 625 -0.277 4.699 -1.572 1.00 31.15 C ATOM 694 C ILE A 625 -0.667 3.613 -2.549 1.00 35.04 C ATOM 695 O ILE A 625 -1.782 3.605 -3.048 1.00 32.32 O ATOM 696 CB ILE A 625 -0.503 4.153 -0.127 1.00 71.11 C ATOM 697 CG1 ILE A 625 -0.399 5.281 0.899 1.00 21.01 C ATOM 698 CG2 ILE A 625 0.508 3.048 0.210 1.00 3.44 C ATOM 699 CD1 ILE A 625 -0.632 4.832 2.318 1.00 55.44 C ATOM 0 H ILE A 625 -2.117 5.615 -1.885 1.00 3.43 H new ATOM 0 HA ILE A 625 0.767 4.991 -1.684 1.00 31.15 H new ATOM 0 HB ILE A 625 -1.506 3.729 -0.087 1.00 71.11 H new ATOM 0 HG12 ILE A 625 0.590 5.734 0.828 1.00 21.01 H new ATOM 0 HG13 ILE A 625 -1.124 6.056 0.649 1.00 21.01 H new ATOM 0 HG21 ILE A 625 0.327 2.686 1.222 1.00 3.44 H new ATOM 0 HG22 ILE A 625 0.396 2.225 -0.495 1.00 3.44 H new ATOM 0 HG23 ILE A 625 1.520 3.448 0.143 1.00 3.44 H new ATOM 0 HD11 ILE A 625 -0.542 5.686 2.989 1.00 55.44 H new ATOM 0 HD12 ILE A 625 -1.631 4.405 2.405 1.00 55.44 H new ATOM 0 HD13 ILE A 625 0.109 4.079 2.588 1.00 55.44 H new ATOM 706 N ASN A 626 0.226 2.739 -2.840 1.00 35.21 N ATOM 707 CA ASN A 626 -0.057 1.636 -3.695 1.00 52.10 C ATOM 708 C ASN A 626 0.658 0.456 -3.121 1.00 1.21 C ATOM 709 O ASN A 626 1.612 0.643 -2.398 1.00 41.14 O ATOM 710 CB ASN A 626 0.345 1.937 -5.139 1.00 2.34 C ATOM 711 CG ASN A 626 -0.164 0.915 -6.126 1.00 13.22 C ATOM 712 OD1 ASN A 626 -1.163 0.213 -5.870 1.00 22.21 O ATOM 713 ND2 ASN A 626 0.445 0.874 -7.270 1.00 52.31 N ATOM 0 H ASN A 626 1.184 2.766 -2.490 1.00 35.21 H new ATOM 0 HA ASN A 626 -1.126 1.429 -3.741 1.00 52.10 H new ATOM 0 HB2 ASN A 626 -0.034 2.920 -5.417 1.00 2.34 H new ATOM 0 HB3 ASN A 626 1.432 1.984 -5.204 1.00 2.34 H new ATOM 0 HD21 ASN A 626 0.110 0.250 -8.004 1.00 52.31 H new ATOM 0 HD22 ASN A 626 1.259 1.466 -7.436 1.00 52.31 H new ATOM 719 N VAL A 627 0.166 -0.726 -3.368 1.00 4.34 N ATOM 720 CA VAL A 627 0.704 -1.946 -2.749 1.00 52.00 C ATOM 721 C VAL A 627 2.147 -2.207 -3.150 1.00 20.51 C ATOM 722 O VAL A 627 2.974 -2.632 -2.355 1.00 32.51 O ATOM 723 CB VAL A 627 -0.135 -3.162 -3.144 1.00 55.25 C ATOM 724 CG1 VAL A 627 0.298 -4.402 -2.384 1.00 53.43 C ATOM 725 CG2 VAL A 627 -1.584 -2.878 -2.927 1.00 22.32 C ATOM 0 H VAL A 627 -0.618 -0.891 -4.000 1.00 4.34 H new ATOM 0 HA VAL A 627 0.664 -1.789 -1.671 1.00 52.00 H new ATOM 0 HB VAL A 627 0.025 -3.359 -4.204 1.00 55.25 H new ATOM 0 HG11 VAL A 627 -0.318 -5.248 -2.688 1.00 53.43 H new ATOM 0 HG12 VAL A 627 1.344 -4.617 -2.604 1.00 53.43 H new ATOM 0 HG13 VAL A 627 0.180 -4.233 -1.314 1.00 53.43 H new ATOM 0 HG21 VAL A 627 -2.172 -3.750 -3.211 1.00 22.32 H new ATOM 0 HG22 VAL A 627 -1.757 -2.651 -1.875 1.00 22.32 H new ATOM 0 HG23 VAL A 627 -1.883 -2.025 -3.536 1.00 22.32 H new ATOM 731 N CYS A 628 2.416 -1.960 -4.355 1.00 40.32 N ATOM 732 CA CYS A 628 3.693 -2.204 -4.915 1.00 55.55 C ATOM 733 C CYS A 628 3.965 -1.145 -5.949 1.00 75.05 C ATOM 734 O CYS A 628 3.036 -0.687 -6.629 1.00 13.32 O ATOM 735 CB CYS A 628 3.707 -3.590 -5.599 1.00 75.41 C ATOM 736 SG CYS A 628 3.242 -5.006 -4.528 1.00 74.14 S ATOM 0 H CYS A 628 1.742 -1.569 -5.014 1.00 40.32 H new ATOM 0 HA CYS A 628 4.452 -2.182 -4.133 1.00 55.55 H new ATOM 0 HB2 CYS A 628 3.027 -3.562 -6.450 1.00 75.41 H new ATOM 0 HB3 CYS A 628 4.706 -3.770 -5.995 1.00 75.41 H new ATOM 741 N GLY A 629 5.194 -0.734 -6.055 1.00 11.53 N ATOM 742 CA GLY A 629 5.576 0.157 -7.113 1.00 71.34 C ATOM 743 C GLY A 629 5.187 1.593 -6.861 1.00 24.11 C ATOM 744 O GLY A 629 5.252 2.061 -5.724 1.00 2.45 O ATOM 0 H GLY A 629 5.949 -1.000 -5.423 1.00 11.53 H new ATOM 0 HA2 GLY A 629 6.656 0.101 -7.253 1.00 71.34 H new ATOM 0 HA3 GLY A 629 5.116 -0.178 -8.043 1.00 71.34 H new ATOM 748 N PRO A 630 4.808 2.327 -7.907 1.00 70.43 N ATOM 749 CA PRO A 630 4.469 3.719 -7.801 1.00 62.53 C ATOM 750 C PRO A 630 2.988 3.977 -7.632 1.00 13.22 C ATOM 751 O PRO A 630 2.140 3.086 -7.812 1.00 43.42 O ATOM 752 CB PRO A 630 4.939 4.270 -9.140 1.00 3.45 C ATOM 753 CG PRO A 630 4.756 3.141 -10.108 1.00 51.23 C ATOM 754 CD PRO A 630 4.700 1.860 -9.298 1.00 44.41 C ATOM 0 HA PRO A 630 4.923 4.175 -6.921 1.00 62.53 H new ATOM 0 HB2 PRO A 630 4.355 5.142 -9.435 1.00 3.45 H new ATOM 0 HB3 PRO A 630 5.981 4.585 -9.093 1.00 3.45 H new ATOM 0 HG2 PRO A 630 3.840 3.273 -10.684 1.00 51.23 H new ATOM 0 HG3 PRO A 630 5.579 3.109 -10.822 1.00 51.23 H new ATOM 0 HD2 PRO A 630 3.770 1.318 -9.468 1.00 44.41 H new ATOM 0 HD3 PRO A 630 5.515 1.184 -9.559 1.00 44.41 H new ATOM 762 N VAL A 631 2.686 5.189 -7.295 1.00 20.31 N ATOM 763 CA VAL A 631 1.333 5.643 -7.173 1.00 11.54 C ATOM 764 C VAL A 631 1.014 6.593 -8.308 1.00 63.52 C ATOM 765 O VAL A 631 1.835 7.443 -8.664 1.00 5.14 O ATOM 766 CB VAL A 631 1.078 6.369 -5.812 1.00 50.31 C ATOM 767 CG1 VAL A 631 1.260 5.419 -4.679 1.00 44.35 C ATOM 768 CG2 VAL A 631 2.004 7.569 -5.619 1.00 71.41 C ATOM 0 H VAL A 631 3.383 5.906 -7.093 1.00 20.31 H new ATOM 0 HA VAL A 631 0.687 4.766 -7.213 1.00 11.54 H new ATOM 0 HB VAL A 631 0.051 6.734 -5.831 1.00 50.31 H new ATOM 0 HG11 VAL A 631 1.080 5.937 -3.737 1.00 44.35 H new ATOM 0 HG12 VAL A 631 0.556 4.593 -4.780 1.00 44.35 H new ATOM 0 HG13 VAL A 631 2.278 5.030 -4.690 1.00 44.35 H new ATOM 0 HG21 VAL A 631 1.791 8.042 -4.661 1.00 71.41 H new ATOM 0 HG22 VAL A 631 3.041 7.235 -5.636 1.00 71.41 H new ATOM 0 HG23 VAL A 631 1.841 8.287 -6.423 1.00 71.41 H new ATOM 774 N SER A 632 -0.139 6.437 -8.908 1.00 4.21 N ATOM 775 CA SER A 632 -0.513 7.363 -9.928 1.00 41.31 C ATOM 776 C SER A 632 -1.204 8.521 -9.245 1.00 14.14 C ATOM 777 O SER A 632 -2.174 8.327 -8.498 1.00 72.43 O ATOM 778 CB SER A 632 -1.452 6.693 -10.934 1.00 54.13 C ATOM 779 OG SER A 632 -1.771 7.555 -12.025 1.00 62.45 O ATOM 0 H SER A 632 -0.813 5.697 -8.711 1.00 4.21 H new ATOM 0 HA SER A 632 0.362 7.709 -10.479 1.00 41.31 H new ATOM 0 HB2 SER A 632 -0.986 5.784 -11.315 1.00 54.13 H new ATOM 0 HB3 SER A 632 -2.370 6.393 -10.429 1.00 54.13 H new ATOM 0 HG SER A 632 -2.371 7.090 -12.645 1.00 62.45 H new ATOM 785 N VAL A 633 -0.716 9.717 -9.491 1.00 51.12 N ATOM 786 CA VAL A 633 -1.234 10.928 -8.876 1.00 31.32 C ATOM 787 C VAL A 633 -0.935 12.067 -9.824 1.00 1.12 C ATOM 788 O VAL A 633 0.042 11.999 -10.577 1.00 75.33 O ATOM 789 CB VAL A 633 -0.517 11.258 -7.505 1.00 24.42 C ATOM 790 CG1 VAL A 633 -1.164 12.430 -6.789 1.00 74.05 C ATOM 791 CG2 VAL A 633 -0.426 10.068 -6.572 1.00 21.31 C ATOM 0 H VAL A 633 0.061 9.882 -10.131 1.00 51.12 H new ATOM 0 HA VAL A 633 -2.298 10.792 -8.682 1.00 31.32 H new ATOM 0 HB VAL A 633 0.501 11.534 -7.779 1.00 24.42 H new ATOM 0 HG11 VAL A 633 -0.638 12.620 -5.853 1.00 74.05 H new ATOM 0 HG12 VAL A 633 -1.111 13.317 -7.421 1.00 74.05 H new ATOM 0 HG13 VAL A 633 -2.208 12.196 -6.578 1.00 74.05 H new ATOM 0 HG21 VAL A 633 0.077 10.365 -5.651 1.00 21.31 H new ATOM 0 HG22 VAL A 633 -1.429 9.711 -6.339 1.00 21.31 H new ATOM 0 HG23 VAL A 633 0.140 9.271 -7.053 1.00 21.31 H new ATOM 797 N GLY A 634 -1.749 13.091 -9.805 1.00 1.11 N ATOM 798 CA GLY A 634 -1.495 14.234 -10.628 1.00 32.31 C ATOM 799 C GLY A 634 -0.326 15.051 -10.107 1.00 23.44 C ATOM 800 O GLY A 634 0.572 15.420 -10.865 1.00 54.30 O ATOM 0 H GLY A 634 -2.589 13.152 -9.229 1.00 1.11 H new ATOM 0 HA2 GLY A 634 -1.287 13.910 -11.648 1.00 32.31 H new ATOM 0 HA3 GLY A 634 -2.387 14.859 -10.668 1.00 32.31 H new ATOM 804 N ALA A 635 -0.321 15.291 -8.808 1.00 2.00 N ATOM 805 CA ALA A 635 0.696 16.122 -8.162 1.00 41.42 C ATOM 806 C ALA A 635 1.878 15.313 -7.587 1.00 51.25 C ATOM 807 O ALA A 635 2.663 15.840 -6.803 1.00 42.43 O ATOM 808 CB ALA A 635 0.050 16.955 -7.063 1.00 23.54 C ATOM 0 H ALA A 635 -1.020 14.918 -8.165 1.00 2.00 H new ATOM 0 HA ALA A 635 1.114 16.767 -8.935 1.00 41.42 H new ATOM 0 HB1 ALA A 635 0.808 17.574 -6.582 1.00 23.54 H new ATOM 0 HB2 ALA A 635 -0.719 17.594 -7.496 1.00 23.54 H new ATOM 0 HB3 ALA A 635 -0.402 16.294 -6.323 1.00 23.54 H new ATOM 814 N CYS A 636 2.029 14.067 -7.979 1.00 33.44 N ATOM 815 CA CYS A 636 3.153 13.268 -7.474 1.00 2.34 C ATOM 816 C CYS A 636 3.818 12.516 -8.616 1.00 72.04 C ATOM 817 O CYS A 636 3.139 12.099 -9.556 1.00 3.12 O ATOM 818 CB CYS A 636 2.706 12.298 -6.366 1.00 21.24 C ATOM 819 SG CYS A 636 1.914 13.111 -4.935 1.00 45.23 S ATOM 0 H CYS A 636 1.411 13.583 -8.630 1.00 33.44 H new ATOM 0 HA CYS A 636 3.880 13.951 -7.033 1.00 2.34 H new ATOM 0 HB2 CYS A 636 2.009 11.575 -6.791 1.00 21.24 H new ATOM 0 HB3 CYS A 636 3.573 11.738 -6.017 1.00 21.24 H new ATOM 824 N PRO A 637 5.158 12.345 -8.568 1.00 12.45 N ATOM 825 CA PRO A 637 5.909 11.681 -9.641 1.00 31.23 C ATOM 826 C PRO A 637 5.580 10.183 -9.754 1.00 13.10 C ATOM 827 O PRO A 637 5.341 9.507 -8.741 1.00 13.52 O ATOM 828 CB PRO A 637 7.374 11.872 -9.223 1.00 44.44 C ATOM 829 CG PRO A 637 7.329 12.049 -7.744 1.00 61.15 C ATOM 830 CD PRO A 637 6.046 12.769 -7.456 1.00 54.34 C ATOM 0 HA PRO A 637 5.668 12.099 -10.618 1.00 31.23 H new ATOM 0 HB2 PRO A 637 7.980 11.009 -9.500 1.00 44.44 H new ATOM 0 HB3 PRO A 637 7.815 12.741 -9.712 1.00 44.44 H new ATOM 0 HG2 PRO A 637 7.360 11.086 -7.234 1.00 61.15 H new ATOM 0 HG3 PRO A 637 8.187 12.623 -7.393 1.00 61.15 H new ATOM 0 HD2 PRO A 637 5.637 12.489 -6.485 1.00 54.34 H new ATOM 0 HD3 PRO A 637 6.186 13.850 -7.443 1.00 54.34 H new ATOM 838 N PRO A 638 5.607 9.632 -10.983 1.00 54.51 N ATOM 839 CA PRO A 638 5.283 8.204 -11.251 1.00 12.44 C ATOM 840 C PRO A 638 6.390 7.233 -10.780 1.00 73.41 C ATOM 841 O PRO A 638 6.500 6.111 -11.268 1.00 12.20 O ATOM 842 CB PRO A 638 5.159 8.165 -12.778 1.00 13.31 C ATOM 843 CG PRO A 638 6.055 9.254 -13.251 1.00 33.43 C ATOM 844 CD PRO A 638 5.944 10.352 -12.232 1.00 1.21 C ATOM 0 HA PRO A 638 4.390 7.884 -10.715 1.00 12.44 H new ATOM 0 HB2 PRO A 638 5.465 7.198 -13.177 1.00 13.31 H new ATOM 0 HB3 PRO A 638 4.130 8.330 -13.097 1.00 13.31 H new ATOM 0 HG2 PRO A 638 7.084 8.904 -13.337 1.00 33.43 H new ATOM 0 HG3 PRO A 638 5.755 9.606 -14.238 1.00 33.43 H new ATOM 0 HD2 PRO A 638 6.878 10.906 -12.136 1.00 1.21 H new ATOM 0 HD3 PRO A 638 5.171 11.072 -12.501 1.00 1.21 H new ATOM 852 N ASP A 639 7.189 7.676 -9.833 1.00 25.23 N ATOM 853 CA ASP A 639 8.233 6.851 -9.259 1.00 52.52 C ATOM 854 C ASP A 639 8.182 6.978 -7.730 1.00 10.15 C ATOM 855 O ASP A 639 9.045 6.488 -6.997 1.00 62.41 O ATOM 856 CB ASP A 639 9.605 7.233 -9.832 1.00 5.42 C ATOM 857 CG ASP A 639 10.726 6.292 -9.407 1.00 52.50 C ATOM 858 OD1 ASP A 639 10.737 5.113 -9.842 1.00 50.24 O ATOM 859 OD2 ASP A 639 11.611 6.707 -8.660 1.00 70.24 O ATOM 0 H ASP A 639 7.134 8.615 -9.439 1.00 25.23 H new ATOM 0 HA ASP A 639 8.070 5.806 -9.522 1.00 52.52 H new ATOM 0 HB2 ASP A 639 9.545 7.245 -10.920 1.00 5.42 H new ATOM 0 HB3 ASP A 639 9.853 8.246 -9.515 1.00 5.42 H new ATOM 864 N SER A 640 7.139 7.635 -7.248 1.00 24.43 N ATOM 865 CA SER A 640 6.893 7.699 -5.835 1.00 23.55 C ATOM 866 C SER A 640 5.890 6.616 -5.514 1.00 22.04 C ATOM 867 O SER A 640 4.930 6.426 -6.263 1.00 45.52 O ATOM 868 CB SER A 640 6.394 9.098 -5.395 1.00 11.14 C ATOM 869 OG SER A 640 5.194 9.494 -6.056 1.00 33.33 O ATOM 0 H SER A 640 6.455 8.128 -7.822 1.00 24.43 H new ATOM 0 HA SER A 640 7.818 7.538 -5.281 1.00 23.55 H new ATOM 0 HB2 SER A 640 6.225 9.096 -4.318 1.00 11.14 H new ATOM 0 HB3 SER A 640 7.172 9.835 -5.594 1.00 11.14 H new ATOM 0 HG SER A 640 5.359 9.565 -7.019 1.00 33.33 H new ATOM 875 N GLY A 641 6.113 5.880 -4.462 1.00 15.32 N ATOM 876 CA GLY A 641 5.222 4.781 -4.158 1.00 45.12 C ATOM 877 C GLY A 641 4.305 5.103 -3.013 1.00 41.54 C ATOM 878 O GLY A 641 3.425 4.319 -2.655 1.00 2.43 O ATOM 0 H GLY A 641 6.885 6.011 -3.809 1.00 15.32 H new ATOM 0 HA2 GLY A 641 4.630 4.539 -5.040 1.00 45.12 H new ATOM 0 HA3 GLY A 641 5.808 3.895 -3.915 1.00 45.12 H new ATOM 882 N ALA A 642 4.529 6.250 -2.439 1.00 65.32 N ATOM 883 CA ALA A 642 3.696 6.804 -1.414 1.00 32.22 C ATOM 884 C ALA A 642 3.873 8.309 -1.459 1.00 64.32 C ATOM 885 O ALA A 642 4.992 8.801 -1.396 1.00 41.40 O ATOM 886 CB ALA A 642 4.079 6.247 -0.047 1.00 43.03 C ATOM 0 H ALA A 642 5.323 6.844 -2.680 1.00 65.32 H new ATOM 0 HA ALA A 642 2.652 6.539 -1.580 1.00 32.22 H new ATOM 0 HB1 ALA A 642 3.434 6.681 0.717 1.00 43.03 H new ATOM 0 HB2 ALA A 642 3.960 5.163 -0.049 1.00 43.03 H new ATOM 0 HB3 ALA A 642 5.117 6.498 0.170 1.00 43.03 H new ATOM 892 N CYS A 643 2.803 9.036 -1.605 1.00 32.40 N ATOM 893 CA CYS A 643 2.892 10.485 -1.698 1.00 3.31 C ATOM 894 C CYS A 643 1.692 11.145 -1.038 1.00 70.00 C ATOM 895 O CYS A 643 0.557 10.697 -1.220 1.00 4.31 O ATOM 896 CB CYS A 643 2.993 10.914 -3.161 1.00 32.43 C ATOM 897 SG CYS A 643 3.171 12.711 -3.403 1.00 62.11 S ATOM 0 H CYS A 643 1.856 8.661 -1.663 1.00 32.40 H new ATOM 0 HA CYS A 643 3.791 10.807 -1.172 1.00 3.31 H new ATOM 0 HB2 CYS A 643 3.846 10.411 -3.617 1.00 32.43 H new ATOM 0 HB3 CYS A 643 2.102 10.574 -3.690 1.00 32.43 H new ATOM 902 N GLN A 644 1.928 12.188 -0.261 1.00 30.12 N ATOM 903 CA GLN A 644 0.838 12.896 0.372 1.00 24.41 C ATOM 904 C GLN A 644 0.661 14.257 -0.255 1.00 62.33 C ATOM 905 O GLN A 644 1.637 14.999 -0.456 1.00 1.11 O ATOM 906 CB GLN A 644 1.001 13.024 1.901 1.00 41.14 C ATOM 907 CG GLN A 644 2.221 13.793 2.376 1.00 15.53 C ATOM 908 CD GLN A 644 2.260 13.920 3.888 1.00 44.14 C ATOM 909 OE1 GLN A 644 1.234 13.943 4.540 1.00 34.32 O ATOM 910 NE2 GLN A 644 3.440 14.038 4.445 1.00 61.14 N ATOM 0 H GLN A 644 2.856 12.558 -0.057 1.00 30.12 H new ATOM 0 HA GLN A 644 -0.058 12.298 0.206 1.00 24.41 H new ATOM 0 HB2 GLN A 644 0.111 13.509 2.302 1.00 41.14 H new ATOM 0 HB3 GLN A 644 1.038 12.022 2.328 1.00 41.14 H new ATOM 0 HG2 GLN A 644 3.124 13.289 2.031 1.00 15.53 H new ATOM 0 HG3 GLN A 644 2.220 14.787 1.929 1.00 15.53 H new ATOM 0 HE21 GLN A 644 4.281 14.014 3.868 1.00 61.14 H new ATOM 0 HE22 GLN A 644 3.518 14.153 5.455 1.00 61.14 H new ATOM 918 N VAL A 645 -0.551 14.565 -0.585 1.00 14.22 N ATOM 919 CA VAL A 645 -0.886 15.833 -1.147 1.00 53.34 C ATOM 920 C VAL A 645 -1.679 16.597 -0.114 1.00 15.01 C ATOM 921 O VAL A 645 -2.702 16.112 0.369 1.00 31.04 O ATOM 922 CB VAL A 645 -1.732 15.686 -2.447 1.00 1.42 C ATOM 923 CG1 VAL A 645 -2.056 17.050 -3.049 1.00 1.02 C ATOM 924 CG2 VAL A 645 -1.016 14.811 -3.467 1.00 31.30 C ATOM 0 H VAL A 645 -1.346 13.936 -0.471 1.00 14.22 H new ATOM 0 HA VAL A 645 0.031 16.358 -1.415 1.00 53.34 H new ATOM 0 HB VAL A 645 -2.670 15.201 -2.178 1.00 1.42 H new ATOM 0 HG11 VAL A 645 -2.647 16.917 -3.955 1.00 1.02 H new ATOM 0 HG12 VAL A 645 -2.623 17.640 -2.329 1.00 1.02 H new ATOM 0 HG13 VAL A 645 -1.129 17.569 -3.293 1.00 1.02 H new ATOM 0 HG21 VAL A 645 -1.628 14.724 -4.365 1.00 31.30 H new ATOM 0 HG22 VAL A 645 -0.057 15.261 -3.723 1.00 31.30 H new ATOM 0 HG23 VAL A 645 -0.850 13.820 -3.044 1.00 31.30 H new ATOM 930 N SER A 646 -1.201 17.742 0.257 1.00 44.12 N ATOM 931 CA SER A 646 -1.885 18.554 1.195 1.00 52.44 C ATOM 932 C SER A 646 -3.073 19.182 0.519 1.00 74.12 C ATOM 933 O SER A 646 -3.007 19.586 -0.640 1.00 11.11 O ATOM 934 CB SER A 646 -0.956 19.631 1.766 1.00 11.54 C ATOM 935 OG SER A 646 -1.642 20.481 2.676 1.00 24.44 O ATOM 0 H SER A 646 -0.324 18.135 -0.086 1.00 44.12 H new ATOM 0 HA SER A 646 -2.222 17.937 2.028 1.00 52.44 H new ATOM 0 HB2 SER A 646 -0.115 19.157 2.272 1.00 11.54 H new ATOM 0 HB3 SER A 646 -0.543 20.226 0.951 1.00 11.54 H new ATOM 0 HG SER A 646 -1.015 20.809 3.353 1.00 24.44 H new ATOM 941 N ARG A 647 -4.141 19.250 1.226 1.00 32.24 N ATOM 942 CA ARG A 647 -5.345 19.821 0.724 1.00 31.20 C ATOM 943 C ARG A 647 -5.479 21.233 1.246 1.00 25.40 C ATOM 944 O ARG A 647 -6.063 22.099 0.588 1.00 1.41 O ATOM 945 CB ARG A 647 -6.531 18.933 1.108 1.00 71.44 C ATOM 946 CG ARG A 647 -6.413 17.542 0.497 1.00 65.43 C ATOM 947 CD ARG A 647 -7.474 16.571 0.978 1.00 42.41 C ATOM 948 NE ARG A 647 -8.853 16.973 0.656 1.00 34.33 N ATOM 949 CZ ARG A 647 -9.737 16.158 0.056 1.00 50.43 C ATOM 950 NH1 ARG A 647 -9.304 15.078 -0.603 1.00 25.01 N ATOM 951 NH2 ARG A 647 -11.025 16.463 0.047 1.00 74.25 N ATOM 0 H ARG A 647 -4.209 18.907 2.184 1.00 32.24 H new ATOM 0 HA ARG A 647 -5.324 19.875 -0.364 1.00 31.20 H new ATOM 0 HB2 ARG A 647 -6.588 18.850 2.193 1.00 71.44 H new ATOM 0 HB3 ARG A 647 -7.458 19.400 0.775 1.00 71.44 H new ATOM 0 HG2 ARG A 647 -6.475 17.625 -0.588 1.00 65.43 H new ATOM 0 HG3 ARG A 647 -5.429 17.135 0.730 1.00 65.43 H new ATOM 0 HD2 ARG A 647 -7.281 15.593 0.538 1.00 42.41 H new ATOM 0 HD3 ARG A 647 -7.384 16.458 2.058 1.00 42.41 H new ATOM 0 HE ARG A 647 -9.152 17.917 0.900 1.00 34.33 H new ATOM 0 HH11 ARG A 647 -8.305 14.875 -0.649 1.00 25.01 H new ATOM 0 HH12 ARG A 647 -9.972 14.457 -1.060 1.00 25.01 H new ATOM 0 HH21 ARG A 647 -11.350 17.319 0.497 1.00 74.25 H new ATOM 0 HH22 ARG A 647 -11.693 15.842 -0.409 1.00 74.25 H new ATOM 963 N SER A 648 -4.897 21.470 2.417 1.00 31.14 N ATOM 964 CA SER A 648 -4.912 22.780 3.019 1.00 62.11 C ATOM 965 C SER A 648 -3.793 23.674 2.440 1.00 23.11 C ATOM 966 O SER A 648 -4.017 24.845 2.157 1.00 62.33 O ATOM 967 CB SER A 648 -4.762 22.646 4.531 1.00 61.34 C ATOM 968 OG SER A 648 -5.785 21.808 5.067 1.00 50.34 O ATOM 0 H SER A 648 -4.408 20.761 2.964 1.00 31.14 H new ATOM 0 HA SER A 648 -5.865 23.258 2.791 1.00 62.11 H new ATOM 0 HB2 SER A 648 -3.783 22.230 4.769 1.00 61.34 H new ATOM 0 HB3 SER A 648 -4.812 23.631 4.995 1.00 61.34 H new ATOM 0 HG SER A 648 -5.671 21.733 6.037 1.00 50.34 H new ATOM 974 N ASP A 649 -2.600 23.107 2.243 1.00 62.10 N ATOM 975 CA ASP A 649 -1.458 23.883 1.707 1.00 1.51 C ATOM 976 C ASP A 649 -1.229 23.588 0.246 1.00 3.43 C ATOM 977 O ASP A 649 -0.444 24.269 -0.418 1.00 42.32 O ATOM 978 CB ASP A 649 -0.147 23.579 2.469 1.00 33.44 C ATOM 979 CG ASP A 649 -0.119 24.066 3.898 1.00 11.34 C ATOM 980 OD1 ASP A 649 -0.519 23.320 4.810 1.00 23.03 O ATOM 981 OD2 ASP A 649 0.331 25.202 4.134 1.00 24.05 O ATOM 0 H ASP A 649 -2.392 22.128 2.441 1.00 62.10 H new ATOM 0 HA ASP A 649 -1.720 24.933 1.838 1.00 1.51 H new ATOM 0 HB2 ASP A 649 0.019 22.502 2.464 1.00 33.44 H new ATOM 0 HB3 ASP A 649 0.684 24.032 1.929 1.00 33.44 H new ATOM 986 N ARG A 650 -1.923 22.568 -0.254 1.00 35.42 N ATOM 987 CA ARG A 650 -1.780 22.074 -1.634 1.00 3.31 C ATOM 988 C ARG A 650 -0.334 21.740 -2.015 1.00 62.54 C ATOM 989 O ARG A 650 0.025 21.700 -3.197 1.00 4.44 O ATOM 990 CB ARG A 650 -2.419 23.029 -2.611 1.00 25.55 C ATOM 991 CG ARG A 650 -3.919 23.090 -2.463 1.00 52.22 C ATOM 992 CD ARG A 650 -4.522 24.075 -3.418 1.00 35.00 C ATOM 993 NE ARG A 650 -4.180 23.773 -4.813 1.00 22.01 N ATOM 994 CZ ARG A 650 -4.912 24.100 -5.881 1.00 5.03 C ATOM 995 NH1 ARG A 650 -6.102 24.682 -5.735 1.00 71.43 N ATOM 996 NH2 ARG A 650 -4.454 23.822 -7.093 1.00 45.03 N ATOM 0 H ARG A 650 -2.612 22.050 0.291 1.00 35.42 H new ATOM 0 HA ARG A 650 -2.315 21.125 -1.685 1.00 3.31 H new ATOM 0 HB2 ARG A 650 -2.002 24.026 -2.465 1.00 25.55 H new ATOM 0 HB3 ARG A 650 -2.170 22.725 -3.627 1.00 25.55 H new ATOM 0 HG2 ARG A 650 -4.344 22.102 -2.640 1.00 52.22 H new ATOM 0 HG3 ARG A 650 -4.174 23.369 -1.441 1.00 52.22 H new ATOM 0 HD2 ARG A 650 -5.606 24.074 -3.303 1.00 35.00 H new ATOM 0 HD3 ARG A 650 -4.176 25.078 -3.170 1.00 35.00 H new ATOM 0 HE ARG A 650 -3.309 23.270 -4.981 1.00 22.01 H new ATOM 0 HH11 ARG A 650 -6.461 24.881 -4.801 1.00 71.43 H new ATOM 0 HH12 ARG A 650 -6.654 24.928 -6.557 1.00 71.43 H new ATOM 0 HH21 ARG A 650 -3.550 23.362 -7.204 1.00 45.03 H new ATOM 0 HH22 ARG A 650 -5.005 24.068 -7.915 1.00 45.03 H new ATOM 1008 N LYS A 651 0.468 21.440 -1.016 1.00 42.52 N ATOM 1009 CA LYS A 651 1.827 21.015 -1.228 1.00 54.32 C ATOM 1010 C LYS A 651 1.867 19.524 -1.267 1.00 61.50 C ATOM 1011 O LYS A 651 0.940 18.869 -0.820 1.00 14.11 O ATOM 1012 CB LYS A 651 2.749 21.523 -0.134 1.00 64.42 C ATOM 1013 CG LYS A 651 2.861 23.017 -0.078 1.00 3.42 C ATOM 1014 CD LYS A 651 3.758 23.462 1.060 1.00 63.22 C ATOM 1015 CE LYS A 651 3.857 24.975 1.133 1.00 54.30 C ATOM 1016 NZ LYS A 651 4.779 25.418 2.200 1.00 73.41 N ATOM 0 H LYS A 651 0.192 21.485 -0.035 1.00 42.52 H new ATOM 0 HA LYS A 651 2.175 21.430 -2.174 1.00 54.32 H new ATOM 0 HB2 LYS A 651 2.389 21.159 0.828 1.00 64.42 H new ATOM 0 HB3 LYS A 651 3.742 21.100 -0.284 1.00 64.42 H new ATOM 0 HG2 LYS A 651 3.257 23.389 -1.023 1.00 3.42 H new ATOM 0 HG3 LYS A 651 1.870 23.453 0.046 1.00 3.42 H new ATOM 0 HD2 LYS A 651 3.370 23.076 2.003 1.00 63.22 H new ATOM 0 HD3 LYS A 651 4.753 23.037 0.927 1.00 63.22 H new ATOM 0 HE2 LYS A 651 4.200 25.363 0.174 1.00 54.30 H new ATOM 0 HE3 LYS A 651 2.867 25.395 1.311 1.00 54.30 H new ATOM 0 HZ1 LYS A 651 4.818 26.457 2.216 1.00 73.41 H new ATOM 0 HZ2 LYS A 651 4.439 25.070 3.119 1.00 73.41 H new ATOM 0 HZ3 LYS A 651 5.730 25.039 2.017 1.00 73.41 H new ATOM 1030 N SER A 652 2.905 18.998 -1.769 1.00 72.33 N ATOM 1031 CA SER A 652 3.028 17.576 -1.886 1.00 52.45 C ATOM 1032 C SER A 652 4.398 17.109 -1.429 1.00 3.52 C ATOM 1033 O SER A 652 5.408 17.797 -1.636 1.00 43.23 O ATOM 1034 CB SER A 652 2.715 17.142 -3.323 1.00 40.44 C ATOM 1035 OG SER A 652 3.490 17.888 -4.259 1.00 54.45 O ATOM 0 H SER A 652 3.706 19.526 -2.117 1.00 72.33 H new ATOM 0 HA SER A 652 2.301 17.099 -1.228 1.00 52.45 H new ATOM 0 HB2 SER A 652 2.922 16.078 -3.439 1.00 40.44 H new ATOM 0 HB3 SER A 652 1.654 17.285 -3.527 1.00 40.44 H new ATOM 0 HG SER A 652 3.276 17.594 -5.169 1.00 54.45 H new ATOM 1041 N TRP A 653 4.433 15.971 -0.778 1.00 53.43 N ATOM 1042 CA TRP A 653 5.672 15.411 -0.280 1.00 61.13 C ATOM 1043 C TRP A 653 5.659 13.943 -0.509 1.00 40.45 C ATOM 1044 O TRP A 653 4.628 13.272 -0.349 1.00 24.24 O ATOM 1045 CB TRP A 653 5.867 15.677 1.221 1.00 0.42 C ATOM 1046 CG TRP A 653 5.821 17.109 1.648 1.00 73.14 C ATOM 1047 CD1 TRP A 653 6.852 17.998 1.682 1.00 51.01 C ATOM 1048 CD2 TRP A 653 4.672 17.804 2.125 1.00 21.41 C ATOM 1049 NE1 TRP A 653 6.404 19.208 2.147 1.00 73.12 N ATOM 1050 CE2 TRP A 653 5.065 19.111 2.426 1.00 22.24 C ATOM 1051 CE3 TRP A 653 3.345 17.439 2.321 1.00 54.45 C ATOM 1052 CZ2 TRP A 653 4.173 20.058 2.917 1.00 53.30 C ATOM 1053 CZ3 TRP A 653 2.462 18.366 2.803 1.00 11.25 C ATOM 1054 CH2 TRP A 653 2.875 19.667 3.098 1.00 44.32 C ATOM 0 H TRP A 653 3.607 15.406 -0.578 1.00 53.43 H new ATOM 0 HA TRP A 653 6.494 15.888 -0.813 1.00 61.13 H new ATOM 0 HB2 TRP A 653 5.099 15.131 1.769 1.00 0.42 H new ATOM 0 HB3 TRP A 653 6.829 15.261 1.521 1.00 0.42 H new ATOM 0 HD1 TRP A 653 7.869 17.783 1.387 1.00 51.01 H new ATOM 0 HE1 TRP A 653 6.975 20.045 2.266 1.00 73.12 H new ATOM 0 HE3 TRP A 653 3.015 16.436 2.095 1.00 54.45 H new ATOM 0 HZ2 TRP A 653 4.493 21.064 3.147 1.00 53.30 H new ATOM 0 HZ3 TRP A 653 1.430 18.088 2.958 1.00 11.25 H new ATOM 0 HH2 TRP A 653 2.156 20.378 3.476 1.00 44.32 H new ATOM 1065 N ASN A 654 6.793 13.443 -0.806 1.00 11.23 N ATOM 1066 CA ASN A 654 6.974 12.079 -1.149 1.00 5.24 C ATOM 1067 C ASN A 654 7.190 11.292 0.136 1.00 40.30 C ATOM 1068 O ASN A 654 8.084 11.582 0.898 1.00 33.03 O ATOM 1069 CB ASN A 654 8.195 12.031 -2.040 1.00 73.10 C ATOM 1070 CG ASN A 654 8.407 10.760 -2.777 1.00 3.01 C ATOM 1071 OD1 ASN A 654 8.066 9.674 -2.328 1.00 13.13 O ATOM 1072 ND2 ASN A 654 8.946 10.914 -3.945 1.00 15.44 N ATOM 0 H ASN A 654 7.656 13.987 -0.819 1.00 11.23 H new ATOM 0 HA ASN A 654 6.117 11.648 -1.667 1.00 5.24 H new ATOM 0 HB2 ASN A 654 8.125 12.842 -2.765 1.00 73.10 H new ATOM 0 HB3 ASN A 654 9.076 12.226 -1.428 1.00 73.10 H new ATOM 0 HD21 ASN A 654 9.106 10.104 -4.544 1.00 15.44 H new ATOM 0 HD22 ASN A 654 9.210 11.845 -4.266 1.00 15.44 H new ATOM 1078 N LEU A 655 6.348 10.334 0.373 1.00 5.21 N ATOM 1079 CA LEU A 655 6.355 9.532 1.598 1.00 51.54 C ATOM 1080 C LEU A 655 7.240 8.331 1.459 1.00 52.34 C ATOM 1081 O LEU A 655 7.515 7.635 2.439 1.00 62.13 O ATOM 1082 CB LEU A 655 4.943 9.102 1.903 1.00 20.51 C ATOM 1083 CG LEU A 655 3.987 10.171 2.370 1.00 51.32 C ATOM 1084 CD1 LEU A 655 2.580 9.684 2.174 1.00 32.41 C ATOM 1085 CD2 LEU A 655 4.177 10.409 3.842 1.00 35.44 C ATOM 0 H LEU A 655 5.613 10.067 -0.282 1.00 5.21 H new ATOM 0 HA LEU A 655 6.749 10.137 2.414 1.00 51.54 H new ATOM 0 HB2 LEU A 655 4.527 8.644 1.005 1.00 20.51 H new ATOM 0 HB3 LEU A 655 4.983 8.326 2.667 1.00 20.51 H new ATOM 0 HG LEU A 655 4.172 11.086 1.806 1.00 51.32 H new ATOM 0 HD11 LEU A 655 1.880 10.450 2.509 1.00 32.41 H new ATOM 0 HD12 LEU A 655 2.411 9.475 1.118 1.00 32.41 H new ATOM 0 HD13 LEU A 655 2.426 8.774 2.753 1.00 32.41 H new ATOM 0 HD21 LEU A 655 3.485 11.182 4.178 1.00 35.44 H new ATOM 0 HD22 LEU A 655 3.983 9.486 4.388 1.00 35.44 H new ATOM 0 HD23 LEU A 655 5.201 10.732 4.029 1.00 35.44 H new ATOM 1093 N GLY A 656 7.673 8.094 0.265 1.00 12.41 N ATOM 1094 CA GLY A 656 8.540 7.015 0.009 1.00 65.22 C ATOM 1095 C GLY A 656 8.589 6.702 -1.449 1.00 1.11 C ATOM 1096 O GLY A 656 7.553 6.711 -2.146 1.00 70.22 O ATOM 0 H GLY A 656 7.430 8.649 -0.555 1.00 12.41 H new ATOM 0 HA2 GLY A 656 9.541 7.256 0.367 1.00 65.22 H new ATOM 0 HA3 GLY A 656 8.207 6.137 0.562 1.00 65.22 H new ATOM 1100 N ARG A 657 9.761 6.432 -1.921 1.00 34.21 N ATOM 1101 CA ARG A 657 9.978 6.155 -3.300 1.00 54.34 C ATOM 1102 C ARG A 657 9.549 4.722 -3.565 1.00 34.52 C ATOM 1103 O ARG A 657 9.634 3.881 -2.669 1.00 61.02 O ATOM 1104 CB ARG A 657 11.447 6.392 -3.648 1.00 24.45 C ATOM 1105 CG ARG A 657 11.755 6.330 -5.122 1.00 32.31 C ATOM 1106 CD ARG A 657 13.202 6.665 -5.393 1.00 52.34 C ATOM 1107 NE ARG A 657 13.491 6.682 -6.819 1.00 1.21 N ATOM 1108 CZ ARG A 657 14.668 6.969 -7.365 1.00 22.23 C ATOM 1109 NH1 ARG A 657 15.696 7.318 -6.605 1.00 53.31 N ATOM 1110 NH2 ARG A 657 14.808 6.916 -8.678 1.00 61.43 N ATOM 0 H ARG A 657 10.606 6.397 -1.351 1.00 34.21 H new ATOM 0 HA ARG A 657 9.390 6.819 -3.934 1.00 54.34 H new ATOM 0 HB2 ARG A 657 11.745 7.369 -3.268 1.00 24.45 H new ATOM 0 HB3 ARG A 657 12.055 5.650 -3.131 1.00 24.45 H new ATOM 0 HG2 ARG A 657 11.533 5.332 -5.501 1.00 32.31 H new ATOM 0 HG3 ARG A 657 11.111 7.026 -5.660 1.00 32.31 H new ATOM 0 HD2 ARG A 657 13.437 7.638 -4.962 1.00 52.34 H new ATOM 0 HD3 ARG A 657 13.843 5.934 -4.900 1.00 52.34 H new ATOM 0 HE ARG A 657 12.725 6.454 -7.453 1.00 1.21 H new ATOM 0 HH11 ARG A 657 15.588 7.368 -5.592 1.00 53.31 H new ATOM 0 HH12 ARG A 657 16.596 7.537 -7.033 1.00 53.31 H new ATOM 0 HH21 ARG A 657 14.016 6.656 -9.265 1.00 61.43 H new ATOM 0 HH22 ARG A 657 15.708 7.135 -9.104 1.00 61.43 H new ATOM 1122 N SER A 658 9.064 4.466 -4.763 1.00 63.11 N ATOM 1123 CA SER A 658 8.523 3.178 -5.135 1.00 23.25 C ATOM 1124 C SER A 658 9.438 2.015 -4.806 1.00 2.31 C ATOM 1125 O SER A 658 10.615 1.997 -5.179 1.00 10.33 O ATOM 1126 CB SER A 658 8.213 3.183 -6.600 1.00 62.44 C ATOM 1127 OG SER A 658 7.291 4.187 -6.889 1.00 12.12 O ATOM 0 H SER A 658 9.035 5.156 -5.514 1.00 63.11 H new ATOM 0 HA SER A 658 7.619 3.029 -4.544 1.00 23.25 H new ATOM 0 HB2 SER A 658 9.127 3.341 -7.173 1.00 62.44 H new ATOM 0 HB3 SER A 658 7.813 2.214 -6.899 1.00 62.44 H new ATOM 0 HG SER A 658 7.469 4.547 -7.783 1.00 12.12 H new ATOM 1133 N ASN A 659 8.890 1.076 -4.088 1.00 54.22 N ATOM 1134 CA ASN A 659 9.558 -0.137 -3.750 1.00 21.23 C ATOM 1135 C ASN A 659 8.533 -1.210 -3.472 1.00 53.12 C ATOM 1136 O ASN A 659 7.520 -0.956 -2.840 1.00 61.13 O ATOM 1137 CB ASN A 659 10.603 0.032 -2.589 1.00 1.22 C ATOM 1138 CG ASN A 659 10.090 0.546 -1.227 1.00 40.31 C ATOM 1139 OD1 ASN A 659 10.824 1.231 -0.504 1.00 21.51 O ATOM 1140 ND2 ASN A 659 8.879 0.229 -0.860 1.00 63.34 N ATOM 0 H ASN A 659 7.943 1.140 -3.715 1.00 54.22 H new ATOM 0 HA ASN A 659 10.159 -0.446 -4.605 1.00 21.23 H new ATOM 0 HB2 ASN A 659 11.079 -0.934 -2.424 1.00 1.22 H new ATOM 0 HB3 ASN A 659 11.379 0.715 -2.934 1.00 1.22 H new ATOM 0 HD21 ASN A 659 8.519 0.547 0.040 1.00 63.34 H new ATOM 0 HD22 ASN A 659 8.292 -0.337 -1.473 1.00 63.34 H new ATOM 1146 N ALA A 660 8.771 -2.384 -3.959 1.00 31.33 N ATOM 1147 CA ALA A 660 7.843 -3.484 -3.788 1.00 74.24 C ATOM 1148 C ALA A 660 8.353 -4.432 -2.709 1.00 11.43 C ATOM 1149 O ALA A 660 8.234 -5.660 -2.820 1.00 32.14 O ATOM 1150 CB ALA A 660 7.654 -4.202 -5.119 1.00 72.22 C ATOM 0 H ALA A 660 9.610 -2.620 -4.488 1.00 31.33 H new ATOM 0 HA ALA A 660 6.874 -3.104 -3.465 1.00 74.24 H new ATOM 0 HB1 ALA A 660 6.956 -5.029 -4.990 1.00 72.22 H new ATOM 0 HB2 ALA A 660 7.257 -3.504 -5.856 1.00 72.22 H new ATOM 0 HB3 ALA A 660 8.614 -4.587 -5.464 1.00 72.22 H new ATOM 1156 N LYS A 661 8.913 -3.845 -1.668 1.00 64.51 N ATOM 1157 CA LYS A 661 9.372 -4.579 -0.509 1.00 72.04 C ATOM 1158 C LYS A 661 8.232 -4.832 0.460 1.00 1.31 C ATOM 1159 O LYS A 661 7.782 -3.927 1.182 1.00 31.44 O ATOM 1160 CB LYS A 661 10.540 -3.861 0.208 1.00 44.54 C ATOM 1161 CG LYS A 661 11.950 -4.163 -0.325 1.00 21.23 C ATOM 1162 CD LYS A 661 12.147 -3.859 -1.802 1.00 4.01 C ATOM 1163 CE LYS A 661 13.576 -4.196 -2.206 1.00 52.44 C ATOM 1164 NZ LYS A 661 13.834 -4.026 -3.647 1.00 22.42 N ATOM 0 H LYS A 661 9.062 -2.838 -1.605 1.00 64.51 H new ATOM 0 HA LYS A 661 9.746 -5.538 -0.868 1.00 72.04 H new ATOM 0 HB2 LYS A 661 10.372 -2.786 0.144 1.00 44.54 H new ATOM 0 HB3 LYS A 661 10.509 -4.126 1.265 1.00 44.54 H new ATOM 0 HG2 LYS A 661 12.673 -3.586 0.251 1.00 21.23 H new ATOM 0 HG3 LYS A 661 12.172 -5.216 -0.151 1.00 21.23 H new ATOM 0 HD2 LYS A 661 11.443 -4.438 -2.400 1.00 4.01 H new ATOM 0 HD3 LYS A 661 11.941 -2.807 -1.998 1.00 4.01 H new ATOM 0 HE2 LYS A 661 14.263 -3.563 -1.645 1.00 52.44 H new ATOM 0 HE3 LYS A 661 13.791 -5.227 -1.925 1.00 52.44 H new ATOM 0 HZ1 LYS A 661 14.835 -3.784 -3.794 1.00 22.42 H new ATOM 0 HZ2 LYS A 661 13.615 -4.912 -4.146 1.00 22.42 H new ATOM 0 HZ3 LYS A 661 13.235 -3.262 -4.019 1.00 22.42 H new ATOM 1178 N LEU A 662 7.756 -6.045 0.452 1.00 40.34 N ATOM 1179 CA LEU A 662 6.713 -6.469 1.352 1.00 42.30 C ATOM 1180 C LEU A 662 7.334 -7.136 2.546 1.00 5.40 C ATOM 1181 O LEU A 662 8.201 -7.969 2.401 1.00 72.33 O ATOM 1182 CB LEU A 662 5.728 -7.464 0.674 1.00 21.53 C ATOM 1183 CG LEU A 662 4.732 -6.931 -0.373 1.00 74.43 C ATOM 1184 CD1 LEU A 662 3.832 -5.889 0.219 1.00 74.15 C ATOM 1185 CD2 LEU A 662 5.421 -6.404 -1.601 1.00 53.11 C ATOM 0 H LEU A 662 8.081 -6.775 -0.182 1.00 40.34 H new ATOM 0 HA LEU A 662 6.149 -5.585 1.649 1.00 42.30 H new ATOM 0 HB2 LEU A 662 6.323 -8.242 0.196 1.00 21.53 H new ATOM 0 HB3 LEU A 662 5.150 -7.944 1.463 1.00 21.53 H new ATOM 0 HG LEU A 662 4.121 -7.778 -0.685 1.00 74.43 H new ATOM 0 HD11 LEU A 662 3.140 -5.531 -0.543 1.00 74.15 H new ATOM 0 HD12 LEU A 662 3.269 -6.322 1.046 1.00 74.15 H new ATOM 0 HD13 LEU A 662 4.432 -5.056 0.585 1.00 74.15 H new ATOM 0 HD21 LEU A 662 4.676 -6.040 -2.308 1.00 53.11 H new ATOM 0 HD22 LEU A 662 6.086 -5.587 -1.322 1.00 53.11 H new ATOM 0 HD23 LEU A 662 6.001 -7.202 -2.064 1.00 53.11 H new ATOM 1193 N SER A 663 6.924 -6.761 3.702 1.00 54.32 N ATOM 1194 CA SER A 663 7.392 -7.389 4.895 1.00 50.24 C ATOM 1195 C SER A 663 6.242 -8.129 5.529 1.00 52.33 C ATOM 1196 O SER A 663 5.100 -7.716 5.407 1.00 24.41 O ATOM 1197 CB SER A 663 7.934 -6.348 5.861 1.00 61.40 C ATOM 1198 OG SER A 663 8.983 -5.596 5.270 1.00 12.22 O ATOM 0 H SER A 663 6.253 -6.008 3.854 1.00 54.32 H new ATOM 0 HA SER A 663 8.197 -8.084 4.654 1.00 50.24 H new ATOM 0 HB2 SER A 663 7.130 -5.678 6.166 1.00 61.40 H new ATOM 0 HB3 SER A 663 8.299 -6.840 6.763 1.00 61.40 H new ATOM 0 HG SER A 663 9.847 -5.940 5.580 1.00 12.22 H new ATOM 1204 N TYR A 664 6.518 -9.211 6.159 1.00 31.12 N ATOM 1205 CA TYR A 664 5.496 -9.934 6.838 1.00 13.24 C ATOM 1206 C TYR A 664 5.920 -10.155 8.253 1.00 30.51 C ATOM 1207 O TYR A 664 7.021 -10.629 8.512 1.00 41.14 O ATOM 1208 CB TYR A 664 5.191 -11.243 6.120 1.00 53.15 C ATOM 1209 CG TYR A 664 4.018 -12.023 6.667 1.00 13.44 C ATOM 1210 CD1 TYR A 664 2.734 -11.491 6.654 1.00 42.13 C ATOM 1211 CD2 TYR A 664 4.186 -13.299 7.141 1.00 1.54 C ATOM 1212 CE1 TYR A 664 1.661 -12.199 7.094 1.00 35.22 C ATOM 1213 CE2 TYR A 664 3.121 -14.034 7.600 1.00 61.32 C ATOM 1214 CZ TYR A 664 1.850 -13.485 7.573 1.00 53.21 C ATOM 1215 OH TYR A 664 0.768 -14.220 8.027 1.00 71.35 O ATOM 0 H TYR A 664 7.449 -9.622 6.221 1.00 31.12 H new ATOM 0 HA TYR A 664 4.571 -9.358 6.839 1.00 13.24 H new ATOM 0 HB2 TYR A 664 5.003 -11.026 5.069 1.00 53.15 H new ATOM 0 HB3 TYR A 664 6.078 -11.876 6.161 1.00 53.15 H new ATOM 0 HD1 TYR A 664 2.585 -10.487 6.284 1.00 42.13 H new ATOM 0 HD2 TYR A 664 5.175 -13.734 7.153 1.00 1.54 H new ATOM 0 HE1 TYR A 664 0.673 -11.764 7.071 1.00 35.22 H new ATOM 0 HE2 TYR A 664 3.274 -15.034 7.980 1.00 61.32 H new ATOM 0 HH TYR A 664 1.074 -15.101 8.327 1.00 71.35 H new ATOM 1225 N TYR A 665 5.075 -9.745 9.153 1.00 32.41 N ATOM 1226 CA TYR A 665 5.317 -9.861 10.567 1.00 21.22 C ATOM 1227 C TYR A 665 4.626 -11.164 11.019 1.00 52.20 C ATOM 1228 O TYR A 665 4.371 -12.009 10.177 1.00 32.41 O ATOM 1229 CB TYR A 665 4.702 -8.610 11.217 1.00 1.13 C ATOM 1230 CG TYR A 665 5.205 -8.262 12.595 1.00 53.04 C ATOM 1231 CD1 TYR A 665 6.552 -8.031 12.810 1.00 52.33 C ATOM 1232 CD2 TYR A 665 4.340 -8.114 13.659 1.00 11.12 C ATOM 1233 CE1 TYR A 665 7.021 -7.666 14.047 1.00 2.33 C ATOM 1234 CE2 TYR A 665 4.802 -7.753 14.908 1.00 62.33 C ATOM 1235 CZ TYR A 665 6.145 -7.531 15.092 1.00 14.12 C ATOM 1236 OH TYR A 665 6.618 -7.152 16.328 1.00 51.24 O ATOM 0 H TYR A 665 4.180 -9.312 8.924 1.00 32.41 H new ATOM 0 HA TYR A 665 6.370 -9.912 10.844 1.00 21.22 H new ATOM 0 HB2 TYR A 665 4.883 -7.759 10.561 1.00 1.13 H new ATOM 0 HB3 TYR A 665 3.622 -8.747 11.271 1.00 1.13 H new ATOM 0 HD1 TYR A 665 7.247 -8.140 11.990 1.00 52.33 H new ATOM 0 HD2 TYR A 665 3.284 -8.283 13.512 1.00 11.12 H new ATOM 0 HE1 TYR A 665 8.075 -7.486 14.196 1.00 2.33 H new ATOM 0 HE2 TYR A 665 4.114 -7.646 15.734 1.00 62.33 H new ATOM 0 HH TYR A 665 5.872 -7.100 16.962 1.00 51.24 H new ATOM 1246 N ASP A 666 4.305 -11.315 12.325 1.00 32.31 N ATOM 1247 CA ASP A 666 3.634 -12.561 12.857 1.00 12.34 C ATOM 1248 C ASP A 666 2.460 -12.985 11.982 1.00 20.21 C ATOM 1249 O ASP A 666 2.179 -14.172 11.821 1.00 5.11 O ATOM 1250 CB ASP A 666 3.100 -12.358 14.270 1.00 71.42 C ATOM 1251 CG ASP A 666 4.143 -11.996 15.285 1.00 21.44 C ATOM 1252 OD1 ASP A 666 4.417 -10.796 15.443 1.00 22.23 O ATOM 1253 OD2 ASP A 666 4.660 -12.899 15.983 1.00 61.12 O ATOM 0 H ASP A 666 4.490 -10.608 13.036 1.00 32.31 H new ATOM 0 HA ASP A 666 4.403 -13.333 12.856 1.00 12.34 H new ATOM 0 HB2 ASP A 666 2.344 -11.573 14.249 1.00 71.42 H new ATOM 0 HB3 ASP A 666 2.601 -13.273 14.591 1.00 71.42 H new ATOM 1258 N GLY A 667 1.762 -12.010 11.462 1.00 72.10 N ATOM 1259 CA GLY A 667 0.706 -12.265 10.527 1.00 53.32 C ATOM 1260 C GLY A 667 0.094 -11.004 10.056 1.00 55.22 C ATOM 1261 O GLY A 667 -1.096 -10.926 9.804 1.00 64.44 O ATOM 0 H GLY A 667 1.910 -11.024 11.675 1.00 72.10 H new ATOM 0 HA2 GLY A 667 1.097 -12.823 9.676 1.00 53.32 H new ATOM 0 HA3 GLY A 667 -0.055 -12.889 10.995 1.00 53.32 H new ATOM 1265 N MET A 668 0.915 -10.010 9.944 1.00 54.11 N ATOM 1266 CA MET A 668 0.507 -8.734 9.459 1.00 1.54 C ATOM 1267 C MET A 668 1.466 -8.344 8.394 1.00 11.22 C ATOM 1268 O MET A 668 2.677 -8.324 8.628 1.00 5.42 O ATOM 1269 CB MET A 668 0.490 -7.665 10.574 1.00 10.42 C ATOM 1270 CG MET A 668 -0.492 -7.946 11.707 1.00 20.55 C ATOM 1271 SD MET A 668 -0.536 -6.637 12.961 1.00 73.20 S ATOM 1272 CE MET A 668 1.148 -6.639 13.561 1.00 53.55 C ATOM 0 H MET A 668 1.903 -10.064 10.191 1.00 54.11 H new ATOM 0 HA MET A 668 -0.512 -8.799 9.077 1.00 1.54 H new ATOM 0 HB2 MET A 668 1.493 -7.579 10.993 1.00 10.42 H new ATOM 0 HB3 MET A 668 0.246 -6.700 10.130 1.00 10.42 H new ATOM 0 HG2 MET A 668 -1.491 -8.073 11.289 1.00 20.55 H new ATOM 0 HG3 MET A 668 -0.224 -8.888 12.185 1.00 20.55 H new ATOM 0 HE1 MET A 668 1.246 -5.918 14.373 1.00 53.55 H new ATOM 0 HE2 MET A 668 1.403 -7.634 13.926 1.00 53.55 H new ATOM 0 HE3 MET A 668 1.823 -6.366 12.750 1.00 53.55 H new ATOM 1282 N ILE A 669 0.963 -8.104 7.231 1.00 24.42 N ATOM 1283 CA ILE A 669 1.783 -7.685 6.133 1.00 65.10 C ATOM 1284 C ILE A 669 2.125 -6.219 6.328 1.00 34.01 C ATOM 1285 O ILE A 669 1.263 -5.407 6.615 1.00 44.04 O ATOM 1286 CB ILE A 669 1.060 -7.905 4.779 1.00 53.34 C ATOM 1287 CG1 ILE A 669 0.865 -9.386 4.527 1.00 33.54 C ATOM 1288 CG2 ILE A 669 1.830 -7.266 3.631 1.00 23.32 C ATOM 1289 CD1 ILE A 669 -0.069 -9.719 3.386 1.00 51.54 C ATOM 0 H ILE A 669 -0.029 -8.191 7.009 1.00 24.42 H new ATOM 0 HA ILE A 669 2.695 -8.281 6.109 1.00 65.10 H new ATOM 0 HB ILE A 669 0.084 -7.423 4.833 1.00 53.34 H new ATOM 0 HG12 ILE A 669 1.837 -9.837 4.325 1.00 33.54 H new ATOM 0 HG13 ILE A 669 0.482 -9.848 5.437 1.00 33.54 H new ATOM 0 HG21 ILE A 669 1.297 -7.438 2.696 1.00 23.32 H new ATOM 0 HG22 ILE A 669 1.920 -6.194 3.806 1.00 23.32 H new ATOM 0 HG23 ILE A 669 2.824 -7.708 3.569 1.00 23.32 H new ATOM 0 HD11 ILE A 669 -0.145 -10.801 3.282 1.00 51.54 H new ATOM 0 HD12 ILE A 669 -1.056 -9.304 3.590 1.00 51.54 H new ATOM 0 HD13 ILE A 669 0.320 -9.293 2.461 1.00 51.54 H new ATOM 1296 N GLN A 670 3.358 -5.904 6.229 1.00 3.13 N ATOM 1297 CA GLN A 670 3.793 -4.556 6.400 1.00 35.14 C ATOM 1298 C GLN A 670 4.448 -4.083 5.138 1.00 44.43 C ATOM 1299 O GLN A 670 5.396 -4.683 4.648 1.00 14.00 O ATOM 1300 CB GLN A 670 4.725 -4.417 7.598 1.00 75.11 C ATOM 1301 CG GLN A 670 4.111 -4.941 8.879 1.00 71.23 C ATOM 1302 CD GLN A 670 4.978 -4.715 10.082 1.00 54.01 C ATOM 1303 OE1 GLN A 670 5.825 -5.538 10.424 1.00 54.15 O ATOM 1304 NE2 GLN A 670 4.754 -3.623 10.752 1.00 21.21 N ATOM 0 H GLN A 670 4.105 -6.569 6.027 1.00 3.13 H new ATOM 0 HA GLN A 670 2.926 -3.929 6.605 1.00 35.14 H new ATOM 0 HB2 GLN A 670 5.651 -4.955 7.397 1.00 75.11 H new ATOM 0 HB3 GLN A 670 4.988 -3.367 7.729 1.00 75.11 H new ATOM 0 HG2 GLN A 670 3.147 -4.457 9.037 1.00 71.23 H new ATOM 0 HG3 GLN A 670 3.919 -6.009 8.773 1.00 71.23 H new ATOM 0 HE21 GLN A 670 4.042 -2.966 10.433 1.00 21.21 H new ATOM 0 HE22 GLN A 670 5.291 -3.423 11.596 1.00 21.21 H new ATOM 1312 N LEU A 671 3.941 -3.035 4.616 1.00 32.43 N ATOM 1313 CA LEU A 671 4.417 -2.499 3.364 1.00 3.24 C ATOM 1314 C LEU A 671 5.243 -1.290 3.744 1.00 63.34 C ATOM 1315 O LEU A 671 4.734 -0.386 4.400 1.00 15.12 O ATOM 1316 CB LEU A 671 3.206 -2.059 2.539 1.00 21.13 C ATOM 1317 CG LEU A 671 3.280 -2.141 0.998 1.00 34.13 C ATOM 1318 CD1 LEU A 671 2.083 -1.482 0.383 1.00 51.21 C ATOM 1319 CD2 LEU A 671 4.558 -1.593 0.389 1.00 71.54 C ATOM 0 H LEU A 671 3.176 -2.506 5.035 1.00 32.43 H new ATOM 0 HA LEU A 671 4.995 -3.217 2.782 1.00 3.24 H new ATOM 0 HB2 LEU A 671 2.354 -2.658 2.860 1.00 21.13 H new ATOM 0 HB3 LEU A 671 2.986 -1.025 2.803 1.00 21.13 H new ATOM 0 HG LEU A 671 3.286 -3.206 0.766 1.00 34.13 H new ATOM 0 HD11 LEU A 671 2.149 -1.548 -0.703 1.00 51.21 H new ATOM 0 HD12 LEU A 671 1.177 -1.984 0.722 1.00 51.21 H new ATOM 0 HD13 LEU A 671 2.051 -0.434 0.682 1.00 51.21 H new ATOM 0 HD21 LEU A 671 4.517 -1.694 -0.696 1.00 71.54 H new ATOM 0 HD22 LEU A 671 4.664 -0.540 0.652 1.00 71.54 H new ATOM 0 HD23 LEU A 671 5.412 -2.150 0.773 1.00 71.54 H new ATOM 1327 N THR A 672 6.491 -1.269 3.389 1.00 1.44 N ATOM 1328 CA THR A 672 7.351 -0.199 3.836 1.00 64.31 C ATOM 1329 C THR A 672 7.925 0.603 2.666 1.00 42.54 C ATOM 1330 O THR A 672 8.665 0.077 1.855 1.00 45.13 O ATOM 1331 CB THR A 672 8.503 -0.769 4.697 1.00 25.03 C ATOM 1332 OG1 THR A 672 7.938 -1.581 5.741 1.00 42.41 O ATOM 1333 CG2 THR A 672 9.320 0.358 5.329 1.00 25.03 C ATOM 0 H THR A 672 6.940 -1.969 2.798 1.00 1.44 H new ATOM 0 HA THR A 672 6.744 0.479 4.436 1.00 64.31 H new ATOM 0 HB THR A 672 9.162 -1.360 4.061 1.00 25.03 H new ATOM 0 HG1 THR A 672 8.000 -2.526 5.490 1.00 42.41 H new ATOM 0 HG21 THR A 672 10.124 -0.068 5.929 1.00 25.03 H new ATOM 0 HG22 THR A 672 9.746 0.983 4.544 1.00 25.03 H new ATOM 0 HG23 THR A 672 8.674 0.963 5.965 1.00 25.03 H new ATOM 1339 N TYR A 673 7.558 1.861 2.584 1.00 10.10 N ATOM 1340 CA TYR A 673 8.110 2.767 1.599 1.00 51.34 C ATOM 1341 C TYR A 673 9.151 3.638 2.217 1.00 71.41 C ATOM 1342 O TYR A 673 8.859 4.414 3.122 1.00 74.44 O ATOM 1343 CB TYR A 673 7.037 3.619 0.928 1.00 54.41 C ATOM 1344 CG TYR A 673 6.231 2.849 -0.045 1.00 50.34 C ATOM 1345 CD1 TYR A 673 6.720 2.637 -1.316 1.00 51.33 C ATOM 1346 CD2 TYR A 673 5.009 2.311 0.290 1.00 63.43 C ATOM 1347 CE1 TYR A 673 6.030 1.909 -2.228 1.00 4.45 C ATOM 1348 CE2 TYR A 673 4.295 1.583 -0.623 1.00 23.31 C ATOM 1349 CZ TYR A 673 4.821 1.382 -1.895 1.00 73.01 C ATOM 1350 OH TYR A 673 4.152 0.621 -2.816 1.00 71.23 O ATOM 0 H TYR A 673 6.866 2.288 3.200 1.00 10.10 H new ATOM 0 HA TYR A 673 8.568 2.155 0.823 1.00 51.34 H new ATOM 0 HB2 TYR A 673 6.379 4.037 1.690 1.00 54.41 H new ATOM 0 HB3 TYR A 673 7.510 4.459 0.420 1.00 54.41 H new ATOM 0 HD1 TYR A 673 7.675 3.060 -1.592 1.00 51.33 H new ATOM 0 HD2 TYR A 673 4.610 2.465 1.282 1.00 63.43 H new ATOM 0 HE1 TYR A 673 6.438 1.748 -3.215 1.00 4.45 H new ATOM 0 HE2 TYR A 673 3.333 1.169 -0.359 1.00 23.31 H new ATOM 0 HH TYR A 673 3.290 0.340 -2.444 1.00 71.23 H new ATOM 1360 N ARG A 674 10.361 3.485 1.759 1.00 72.31 N ATOM 1361 CA ARG A 674 11.473 4.271 2.246 1.00 41.25 C ATOM 1362 C ARG A 674 11.795 5.363 1.253 1.00 72.42 C ATOM 1363 O ARG A 674 11.190 5.426 0.186 1.00 63.22 O ATOM 1364 CB ARG A 674 12.703 3.388 2.432 1.00 1.42 C ATOM 1365 CG ARG A 674 12.539 2.270 3.442 1.00 21.33 C ATOM 1366 CD ARG A 674 13.809 1.450 3.528 1.00 24.22 C ATOM 1367 NE ARG A 674 14.959 2.270 3.928 1.00 73.13 N ATOM 1368 CZ ARG A 674 16.171 2.228 3.351 1.00 75.31 C ATOM 1369 NH1 ARG A 674 16.400 1.405 2.318 1.00 71.42 N ATOM 1370 NH2 ARG A 674 17.149 3.007 3.806 1.00 4.00 N ATOM 0 H ARG A 674 10.611 2.811 1.035 1.00 72.31 H new ATOM 0 HA ARG A 674 11.198 4.710 3.205 1.00 41.25 H new ATOM 0 HB2 ARG A 674 12.968 2.952 1.469 1.00 1.42 H new ATOM 0 HB3 ARG A 674 13.540 4.016 2.739 1.00 1.42 H new ATOM 0 HG2 ARG A 674 12.300 2.687 4.420 1.00 21.33 H new ATOM 0 HG3 ARG A 674 11.704 1.631 3.155 1.00 21.33 H new ATOM 0 HD2 ARG A 674 13.672 0.641 4.245 1.00 24.22 H new ATOM 0 HD3 ARG A 674 14.010 0.988 2.561 1.00 24.22 H new ATOM 0 HE ARG A 674 14.828 2.921 4.702 1.00 73.13 H new ATOM 0 HH11 ARG A 674 15.652 0.807 1.967 1.00 71.42 H new ATOM 0 HH12 ARG A 674 17.322 1.377 1.883 1.00 71.42 H new ATOM 0 HH21 ARG A 674 16.977 3.635 4.592 1.00 4.00 H new ATOM 0 HH22 ARG A 674 18.070 2.977 3.369 1.00 4.00 H new ATOM 1382 N ASP A 675 12.754 6.214 1.604 1.00 51.25 N ATOM 1383 CA ASP A 675 13.235 7.305 0.735 1.00 23.34 C ATOM 1384 C ASP A 675 12.216 8.405 0.561 1.00 42.33 C ATOM 1385 O ASP A 675 12.151 9.046 -0.497 1.00 53.43 O ATOM 1386 CB ASP A 675 13.733 6.798 -0.633 1.00 2.02 C ATOM 1387 CG ASP A 675 14.971 5.956 -0.532 1.00 2.22 C ATOM 1388 OD1 ASP A 675 16.085 6.533 -0.437 1.00 21.44 O ATOM 1389 OD2 ASP A 675 14.871 4.714 -0.570 1.00 2.44 O ATOM 0 H ASP A 675 13.229 6.173 2.506 1.00 51.25 H new ATOM 0 HA ASP A 675 14.091 7.734 1.257 1.00 23.34 H new ATOM 0 HB2 ASP A 675 12.943 6.217 -1.108 1.00 2.02 H new ATOM 0 HB3 ASP A 675 13.933 7.652 -1.280 1.00 2.02 H new ATOM 1394 N GLY A 676 11.442 8.647 1.598 1.00 34.35 N ATOM 1395 CA GLY A 676 10.536 9.766 1.595 1.00 34.53 C ATOM 1396 C GLY A 676 11.294 11.101 1.606 1.00 31.22 C ATOM 1397 O GLY A 676 12.510 11.126 1.758 1.00 24.23 O ATOM 0 H GLY A 676 11.425 8.084 2.448 1.00 34.35 H new ATOM 0 HA2 GLY A 676 9.897 9.716 0.713 1.00 34.53 H new ATOM 0 HA3 GLY A 676 9.883 9.710 2.466 1.00 34.53 H new ATOM 1401 N THR A 677 10.592 12.187 1.460 1.00 51.25 N ATOM 1402 CA THR A 677 11.203 13.497 1.458 1.00 2.44 C ATOM 1403 C THR A 677 11.650 13.833 2.891 1.00 22.34 C ATOM 1404 O THR A 677 10.853 13.699 3.836 1.00 61.00 O ATOM 1405 CB THR A 677 10.172 14.551 0.992 1.00 43.13 C ATOM 1406 OG1 THR A 677 9.606 14.144 -0.252 1.00 71.01 O ATOM 1407 CG2 THR A 677 10.814 15.915 0.818 1.00 31.45 C ATOM 0 H THR A 677 9.579 12.196 1.339 1.00 51.25 H new ATOM 0 HA THR A 677 12.058 13.504 0.782 1.00 2.44 H new ATOM 0 HB THR A 677 9.399 14.627 1.757 1.00 43.13 H new ATOM 0 HG1 THR A 677 9.354 14.936 -0.772 1.00 71.01 H new ATOM 0 HG21 THR A 677 10.062 16.632 0.490 1.00 31.45 H new ATOM 0 HG22 THR A 677 11.237 16.242 1.768 1.00 31.45 H new ATOM 0 HG23 THR A 677 11.605 15.852 0.071 1.00 31.45 H new ATOM 1413 N PRO A 678 12.915 14.213 3.086 1.00 70.42 N ATOM 1414 CA PRO A 678 13.434 14.555 4.402 1.00 72.43 C ATOM 1415 C PRO A 678 12.828 15.827 4.958 1.00 11.23 C ATOM 1416 O PRO A 678 12.564 16.783 4.210 1.00 3.31 O ATOM 1417 CB PRO A 678 14.942 14.731 4.184 1.00 33.14 C ATOM 1418 CG PRO A 678 15.216 14.151 2.843 1.00 11.25 C ATOM 1419 CD PRO A 678 13.959 14.324 2.052 1.00 13.30 C ATOM 0 HA PRO A 678 13.191 13.782 5.131 1.00 72.43 H new ATOM 0 HB2 PRO A 678 15.225 15.783 4.222 1.00 33.14 H new ATOM 0 HB3 PRO A 678 15.514 14.219 4.958 1.00 33.14 H new ATOM 0 HG2 PRO A 678 16.052 14.659 2.362 1.00 11.25 H new ATOM 0 HG3 PRO A 678 15.485 13.098 2.922 1.00 11.25 H new ATOM 0 HD2 PRO A 678 13.928 15.289 1.545 1.00 13.30 H new ATOM 0 HD3 PRO A 678 13.853 13.557 1.285 1.00 13.30 H new ATOM 1427 N TYR A 679 12.594 15.830 6.273 1.00 53.31 N ATOM 1428 CA TYR A 679 12.051 16.985 6.944 1.00 11.02 C ATOM 1429 C TYR A 679 12.243 16.972 8.475 1.00 75.41 C ATOM 1430 O TYR A 679 12.072 18.006 9.127 1.00 61.33 O ATOM 1431 CB TYR A 679 10.583 17.171 6.610 1.00 53.15 C ATOM 1432 CG TYR A 679 9.664 16.038 6.999 1.00 15.22 C ATOM 1433 CD1 TYR A 679 9.291 15.866 8.304 1.00 10.52 C ATOM 1434 CD2 TYR A 679 9.139 15.193 6.054 1.00 14.35 C ATOM 1435 CE1 TYR A 679 8.421 14.875 8.673 1.00 73.23 C ATOM 1436 CE2 TYR A 679 8.244 14.195 6.403 1.00 43.40 C ATOM 1437 CZ TYR A 679 7.896 14.046 7.720 1.00 54.30 C ATOM 1438 OH TYR A 679 7.023 13.073 8.079 1.00 62.10 O ATOM 0 H TYR A 679 12.777 15.035 6.885 1.00 53.31 H new ATOM 0 HA TYR A 679 12.626 17.831 6.566 1.00 11.02 H new ATOM 0 HB2 TYR A 679 10.233 18.080 7.099 1.00 53.15 H new ATOM 0 HB3 TYR A 679 10.493 17.332 5.536 1.00 53.15 H new ATOM 0 HD1 TYR A 679 9.691 16.526 9.059 1.00 10.52 H new ATOM 0 HD2 TYR A 679 9.429 15.308 5.020 1.00 14.35 H new ATOM 0 HE1 TYR A 679 8.151 14.749 9.711 1.00 73.23 H new ATOM 0 HE2 TYR A 679 7.827 13.544 5.649 1.00 43.40 H new ATOM 0 HH TYR A 679 6.137 13.277 7.713 1.00 62.10 H new ATOM 1448 N ASN A 680 12.606 15.824 9.037 1.00 4.15 N ATOM 1449 CA ASN A 680 12.669 15.665 10.503 1.00 74.44 C ATOM 1450 C ASN A 680 13.851 16.407 11.135 1.00 60.22 C ATOM 1451 O ASN A 680 13.668 17.268 11.994 1.00 43.33 O ATOM 1452 CB ASN A 680 12.727 14.170 10.885 1.00 21.45 C ATOM 1453 CG ASN A 680 12.749 13.930 12.403 1.00 44.01 C ATOM 1454 OD1 ASN A 680 12.184 14.696 13.186 1.00 41.10 O ATOM 1455 ND2 ASN A 680 13.411 12.881 12.824 1.00 73.42 N ATOM 0 H ASN A 680 12.862 14.988 8.511 1.00 4.15 H new ATOM 0 HA ASN A 680 11.758 16.112 10.899 1.00 74.44 H new ATOM 0 HB2 ASN A 680 11.865 13.659 10.456 1.00 21.45 H new ATOM 0 HB3 ASN A 680 13.616 13.723 10.441 1.00 21.45 H new ATOM 0 HD21 ASN A 680 13.468 12.681 13.823 1.00 73.42 H new ATOM 0 HD22 ASN A 680 13.869 12.264 12.153 1.00 73.42 H new ATOM 1461 N ASN A 681 15.041 16.083 10.704 1.00 25.12 N ATOM 1462 CA ASN A 681 16.251 16.629 11.310 1.00 31.24 C ATOM 1463 C ASN A 681 17.062 17.425 10.294 1.00 34.23 C ATOM 1464 O ASN A 681 16.803 17.359 9.091 1.00 71.40 O ATOM 1465 CB ASN A 681 17.119 15.483 11.870 1.00 5.24 C ATOM 1466 CG ASN A 681 17.661 14.567 10.788 1.00 72.35 C ATOM 1467 OD1 ASN A 681 17.054 14.401 9.746 1.00 30.50 O ATOM 1468 ND2 ASN A 681 18.792 13.971 11.028 1.00 60.24 N ATOM 0 H ASN A 681 15.211 15.440 9.931 1.00 25.12 H new ATOM 0 HA ASN A 681 15.953 17.297 12.118 1.00 31.24 H new ATOM 0 HB2 ASN A 681 17.952 15.906 12.431 1.00 5.24 H new ATOM 0 HB3 ASN A 681 16.527 14.896 12.572 1.00 5.24 H new ATOM 0 HD21 ASN A 681 19.195 13.343 10.333 1.00 60.24 H new ATOM 0 HD22 ASN A 681 19.276 14.132 11.912 1.00 60.24 H new ATOM 1474 N GLU A 682 18.058 18.143 10.782 1.00 13.42 N ATOM 1475 CA GLU A 682 18.950 18.951 9.948 1.00 2.30 C ATOM 1476 C GLU A 682 19.806 18.071 9.038 1.00 63.14 C ATOM 1477 O GLU A 682 20.158 18.453 7.922 1.00 33.43 O ATOM 1478 CB GLU A 682 19.880 19.768 10.835 1.00 33.51 C ATOM 1479 CG GLU A 682 19.197 20.760 11.751 1.00 65.01 C ATOM 1480 CD GLU A 682 20.192 21.466 12.627 1.00 45.51 C ATOM 1481 OE1 GLU A 682 20.997 22.254 12.101 1.00 10.05 O ATOM 1482 OE2 GLU A 682 20.200 21.233 13.857 1.00 53.14 O ATOM 0 H GLU A 682 18.278 18.186 11.777 1.00 13.42 H new ATOM 0 HA GLU A 682 18.330 19.604 9.334 1.00 2.30 H new ATOM 0 HB2 GLU A 682 20.469 19.082 11.444 1.00 33.51 H new ATOM 0 HB3 GLU A 682 20.580 20.309 10.198 1.00 33.51 H new ATOM 0 HG2 GLU A 682 18.650 21.491 11.156 1.00 65.01 H new ATOM 0 HG3 GLU A 682 18.466 20.242 12.371 1.00 65.01 H new ATOM 1489 N LYS A 683 20.104 16.875 9.506 1.00 65.31 N ATOM 1490 CA LYS A 683 21.008 15.963 8.808 1.00 22.52 C ATOM 1491 C LYS A 683 20.297 15.192 7.690 1.00 74.44 C ATOM 1492 O LYS A 683 20.893 14.332 7.052 1.00 4.43 O ATOM 1493 CB LYS A 683 21.701 14.974 9.794 1.00 4.34 C ATOM 1494 CG LYS A 683 22.629 15.612 10.859 1.00 10.52 C ATOM 1495 CD LYS A 683 21.873 16.487 11.858 1.00 63.31 C ATOM 1496 CE LYS A 683 22.796 17.122 12.885 1.00 13.21 C ATOM 1497 NZ LYS A 683 23.814 18.005 12.273 1.00 14.00 N ATOM 0 H LYS A 683 19.730 16.502 10.379 1.00 65.31 H new ATOM 0 HA LYS A 683 21.778 16.583 8.348 1.00 22.52 H new ATOM 0 HB2 LYS A 683 20.927 14.405 10.310 1.00 4.34 H new ATOM 0 HB3 LYS A 683 22.286 14.262 9.212 1.00 4.34 H new ATOM 0 HG2 LYS A 683 23.152 14.822 11.398 1.00 10.52 H new ATOM 0 HG3 LYS A 683 23.388 16.213 10.359 1.00 10.52 H new ATOM 0 HD2 LYS A 683 21.339 17.270 11.320 1.00 63.31 H new ATOM 0 HD3 LYS A 683 21.123 15.884 12.371 1.00 63.31 H new ATOM 0 HE2 LYS A 683 22.201 17.698 13.594 1.00 13.21 H new ATOM 0 HE3 LYS A 683 23.296 16.337 13.452 1.00 13.21 H new ATOM 0 HZ1 LYS A 683 24.303 18.540 13.019 1.00 14.00 H new ATOM 0 HZ2 LYS A 683 24.504 17.429 11.750 1.00 14.00 H new ATOM 0 HZ3 LYS A 683 23.351 18.668 11.619 1.00 14.00 H new ATOM 1511 N ARG A 684 19.028 15.524 7.469 1.00 64.01 N ATOM 1512 CA ARG A 684 18.186 14.895 6.447 1.00 12.10 C ATOM 1513 C ARG A 684 17.826 13.453 6.698 1.00 5.20 C ATOM 1514 O ARG A 684 18.625 12.540 6.495 1.00 45.00 O ATOM 1515 CB ARG A 684 18.663 15.090 5.012 1.00 23.22 C ATOM 1516 CG ARG A 684 18.389 16.454 4.443 1.00 21.00 C ATOM 1517 CD ARG A 684 18.711 16.485 2.971 1.00 64.44 C ATOM 1518 NE ARG A 684 18.208 17.693 2.330 1.00 71.11 N ATOM 1519 CZ ARG A 684 17.803 17.751 1.053 1.00 31.14 C ATOM 1520 NH1 ARG A 684 17.930 16.681 0.258 1.00 53.05 N ATOM 1521 NH2 ARG A 684 17.282 18.870 0.573 1.00 41.10 N ATOM 0 H ARG A 684 18.545 16.248 8.001 1.00 64.01 H new ATOM 0 HA ARG A 684 17.263 15.464 6.557 1.00 12.10 H new ATOM 0 HB2 ARG A 684 19.736 14.902 4.971 1.00 23.22 H new ATOM 0 HB3 ARG A 684 18.184 14.343 4.379 1.00 23.22 H new ATOM 0 HG2 ARG A 684 17.342 16.716 4.598 1.00 21.00 H new ATOM 0 HG3 ARG A 684 18.986 17.200 4.968 1.00 21.00 H new ATOM 0 HD2 ARG A 684 19.791 16.424 2.834 1.00 64.44 H new ATOM 0 HD3 ARG A 684 18.278 15.610 2.486 1.00 64.44 H new ATOM 0 HE ARG A 684 18.161 18.546 2.887 1.00 71.11 H new ATOM 0 HH11 ARG A 684 18.336 15.819 0.623 1.00 53.05 H new ATOM 0 HH12 ARG A 684 17.621 16.728 -0.713 1.00 53.05 H new ATOM 0 HH21 ARG A 684 17.189 19.688 1.175 1.00 41.10 H new ATOM 0 HH22 ARG A 684 16.974 18.914 -0.398 1.00 41.10 H new ATOM 1533 N THR A 685 16.637 13.263 7.161 1.00 43.10 N ATOM 1534 CA THR A 685 16.062 11.971 7.322 1.00 54.03 C ATOM 1535 C THR A 685 14.898 11.797 6.361 1.00 23.12 C ATOM 1536 O THR A 685 13.870 12.498 6.472 1.00 71.24 O ATOM 1537 CB THR A 685 15.589 11.760 8.792 1.00 42.12 C ATOM 1538 OG1 THR A 685 16.708 11.469 9.650 1.00 61.11 O ATOM 1539 CG2 THR A 685 14.489 10.699 8.933 1.00 13.23 C ATOM 0 H THR A 685 16.021 14.024 7.446 1.00 43.10 H new ATOM 0 HA THR A 685 16.821 11.221 7.097 1.00 54.03 H new ATOM 0 HB THR A 685 15.138 12.700 9.109 1.00 42.12 H new ATOM 0 HG1 THR A 685 16.391 11.341 10.569 1.00 61.11 H new ATOM 0 HG21 THR A 685 14.208 10.604 9.982 1.00 13.23 H new ATOM 0 HG22 THR A 685 13.618 10.998 8.349 1.00 13.23 H new ATOM 0 HG23 THR A 685 14.859 9.741 8.568 1.00 13.23 H new ATOM 1545 N PRO A 686 15.041 10.888 5.388 1.00 42.01 N ATOM 1546 CA PRO A 686 13.956 10.528 4.515 1.00 12.24 C ATOM 1547 C PRO A 686 13.009 9.675 5.308 1.00 52.14 C ATOM 1548 O PRO A 686 13.407 8.612 5.812 1.00 52.04 O ATOM 1549 CB PRO A 686 14.626 9.680 3.411 1.00 13.32 C ATOM 1550 CG PRO A 686 16.091 9.845 3.607 1.00 30.01 C ATOM 1551 CD PRO A 686 16.282 10.169 5.053 1.00 15.12 C ATOM 0 HA PRO A 686 13.410 11.377 4.103 1.00 12.24 H new ATOM 0 HB2 PRO A 686 14.336 8.632 3.492 1.00 13.32 H new ATOM 0 HB3 PRO A 686 14.323 10.018 2.420 1.00 13.32 H new ATOM 0 HG2 PRO A 686 16.625 8.934 3.338 1.00 30.01 H new ATOM 0 HG3 PRO A 686 16.481 10.642 2.974 1.00 30.01 H new ATOM 0 HD2 PRO A 686 16.405 9.270 5.657 1.00 15.12 H new ATOM 0 HD3 PRO A 686 17.165 10.787 5.217 1.00 15.12 H new ATOM 1559 N ARG A 687 11.780 10.108 5.449 1.00 24.44 N ATOM 1560 CA ARG A 687 10.883 9.366 6.293 1.00 71.33 C ATOM 1561 C ARG A 687 10.352 8.146 5.564 1.00 52.02 C ATOM 1562 O ARG A 687 10.588 7.978 4.357 1.00 24.41 O ATOM 1563 CB ARG A 687 9.740 10.224 6.896 1.00 54.14 C ATOM 1564 CG ARG A 687 8.516 10.495 6.018 1.00 54.32 C ATOM 1565 CD ARG A 687 8.794 11.337 4.812 1.00 11.04 C ATOM 1566 NE ARG A 687 7.538 11.639 4.117 1.00 12.44 N ATOM 1567 CZ ARG A 687 7.254 12.769 3.452 1.00 5.31 C ATOM 1568 NH1 ARG A 687 8.158 13.735 3.336 1.00 72.14 N ATOM 1569 NH2 ARG A 687 6.057 12.925 2.896 1.00 51.43 N ATOM 0 H ARG A 687 11.390 10.940 5.007 1.00 24.44 H new ATOM 0 HA ARG A 687 11.468 9.031 7.150 1.00 71.33 H new ATOM 0 HB2 ARG A 687 9.397 9.734 7.807 1.00 54.14 H new ATOM 0 HB3 ARG A 687 10.161 11.185 7.190 1.00 54.14 H new ATOM 0 HG2 ARG A 687 8.099 9.542 5.692 1.00 54.32 H new ATOM 0 HG3 ARG A 687 7.753 10.987 6.621 1.00 54.32 H new ATOM 0 HD2 ARG A 687 9.288 12.262 5.109 1.00 11.04 H new ATOM 0 HD3 ARG A 687 9.475 10.814 4.141 1.00 11.04 H new ATOM 0 HE ARG A 687 6.812 10.923 4.142 1.00 12.44 H new ATOM 0 HH11 ARG A 687 9.081 13.623 3.755 1.00 72.14 H new ATOM 0 HH12 ARG A 687 7.929 14.589 2.828 1.00 72.14 H new ATOM 0 HH21 ARG A 687 5.358 12.187 2.976 1.00 51.43 H new ATOM 0 HH22 ARG A 687 5.838 13.783 2.390 1.00 51.43 H new ATOM 1581 N ALA A 688 9.646 7.330 6.268 1.00 72.23 N ATOM 1582 CA ALA A 688 9.143 6.119 5.731 1.00 31.14 C ATOM 1583 C ALA A 688 7.667 5.989 6.011 1.00 61.22 C ATOM 1584 O ALA A 688 7.141 6.556 6.983 1.00 52.12 O ATOM 1585 CB ALA A 688 9.902 4.928 6.309 1.00 34.10 C ATOM 0 H ALA A 688 9.400 7.490 7.245 1.00 72.23 H new ATOM 0 HA ALA A 688 9.288 6.133 4.651 1.00 31.14 H new ATOM 0 HB1 ALA A 688 9.505 4.004 5.888 1.00 34.10 H new ATOM 0 HB2 ALA A 688 10.960 5.015 6.060 1.00 34.10 H new ATOM 0 HB3 ALA A 688 9.784 4.913 7.393 1.00 34.10 H new ATOM 1591 N THR A 689 7.020 5.269 5.167 1.00 65.14 N ATOM 1592 CA THR A 689 5.626 4.994 5.279 1.00 43.52 C ATOM 1593 C THR A 689 5.434 3.495 5.387 1.00 61.24 C ATOM 1594 O THR A 689 5.811 2.747 4.480 1.00 1.53 O ATOM 1595 CB THR A 689 4.925 5.514 4.018 1.00 12.34 C ATOM 1596 OG1 THR A 689 5.137 6.918 3.920 1.00 40.22 O ATOM 1597 CG2 THR A 689 3.434 5.201 4.008 1.00 2.54 C ATOM 0 H THR A 689 7.457 4.839 4.352 1.00 65.14 H new ATOM 0 HA THR A 689 5.207 5.480 6.160 1.00 43.52 H new ATOM 0 HB THR A 689 5.355 5.004 3.156 1.00 12.34 H new ATOM 0 HG1 THR A 689 5.981 7.090 3.452 1.00 40.22 H new ATOM 0 HG21 THR A 689 2.986 5.591 3.094 1.00 2.54 H new ATOM 0 HG22 THR A 689 3.289 4.122 4.051 1.00 2.54 H new ATOM 0 HG23 THR A 689 2.959 5.666 4.872 1.00 2.54 H new ATOM 1603 N LEU A 690 4.890 3.050 6.493 1.00 71.03 N ATOM 1604 CA LEU A 690 4.680 1.680 6.700 1.00 41.45 C ATOM 1605 C LEU A 690 3.216 1.395 6.885 1.00 13.03 C ATOM 1606 O LEU A 690 2.567 1.877 7.837 1.00 72.15 O ATOM 1607 CB LEU A 690 5.561 1.142 7.853 1.00 61.12 C ATOM 1608 CG LEU A 690 5.415 -0.352 8.189 1.00 54.54 C ATOM 1609 CD1 LEU A 690 6.638 -0.844 8.913 1.00 65.42 C ATOM 1610 CD2 LEU A 690 4.206 -0.604 9.077 1.00 31.53 C ATOM 0 H LEU A 690 4.588 3.647 7.263 1.00 71.03 H new ATOM 0 HA LEU A 690 4.995 1.136 5.810 1.00 41.45 H new ATOM 0 HB2 LEU A 690 6.604 1.335 7.604 1.00 61.12 H new ATOM 0 HB3 LEU A 690 5.336 1.717 8.751 1.00 61.12 H new ATOM 0 HG LEU A 690 5.289 -0.885 7.246 1.00 54.54 H new ATOM 0 HD11 LEU A 690 6.522 -1.903 9.145 1.00 65.42 H new ATOM 0 HD12 LEU A 690 7.515 -0.705 8.281 1.00 65.42 H new ATOM 0 HD13 LEU A 690 6.764 -0.281 9.838 1.00 65.42 H new ATOM 0 HD21 LEU A 690 4.131 -1.669 9.296 1.00 31.53 H new ATOM 0 HD22 LEU A 690 4.317 -0.049 10.009 1.00 31.53 H new ATOM 0 HD23 LEU A 690 3.303 -0.275 8.564 1.00 31.53 H new ATOM 1618 N ILE A 691 2.700 0.622 5.993 1.00 35.35 N ATOM 1619 CA ILE A 691 1.338 0.233 6.032 1.00 32.51 C ATOM 1620 C ILE A 691 1.258 -1.110 6.741 1.00 23.12 C ATOM 1621 O ILE A 691 2.073 -1.994 6.486 1.00 63.44 O ATOM 1622 CB ILE A 691 0.696 0.055 4.618 1.00 4.33 C ATOM 1623 CG1 ILE A 691 0.791 1.308 3.709 1.00 2.22 C ATOM 1624 CG2 ILE A 691 -0.747 -0.308 4.788 1.00 34.05 C ATOM 1625 CD1 ILE A 691 2.179 1.665 3.209 1.00 55.14 C ATOM 0 H ILE A 691 3.222 0.238 5.205 1.00 35.35 H new ATOM 0 HA ILE A 691 0.792 1.026 6.543 1.00 32.51 H new ATOM 0 HB ILE A 691 1.264 -0.730 4.119 1.00 4.33 H new ATOM 0 HG12 ILE A 691 0.144 1.156 2.845 1.00 2.22 H new ATOM 0 HG13 ILE A 691 0.394 2.162 4.258 1.00 2.22 H new ATOM 0 HG21 ILE A 691 -1.208 -0.435 3.809 1.00 34.05 H new ATOM 0 HG22 ILE A 691 -0.824 -1.239 5.349 1.00 34.05 H new ATOM 0 HG23 ILE A 691 -1.261 0.486 5.330 1.00 34.05 H new ATOM 0 HD11 ILE A 691 2.123 2.556 2.584 1.00 55.14 H new ATOM 0 HD12 ILE A 691 2.833 1.858 4.059 1.00 55.14 H new ATOM 0 HD13 ILE A 691 2.579 0.837 2.624 1.00 55.14 H new ATOM 1632 N THR A 692 0.323 -1.244 7.623 1.00 63.31 N ATOM 1633 CA THR A 692 0.100 -2.468 8.310 1.00 22.24 C ATOM 1634 C THR A 692 -1.191 -3.090 7.767 1.00 53.14 C ATOM 1635 O THR A 692 -2.262 -2.480 7.829 1.00 65.33 O ATOM 1636 CB THR A 692 -0.032 -2.193 9.817 1.00 54.50 C ATOM 1637 OG1 THR A 692 1.115 -1.422 10.223 1.00 22.41 O ATOM 1638 CG2 THR A 692 -0.058 -3.501 10.606 1.00 63.22 C ATOM 0 H THR A 692 -0.315 -0.494 7.889 1.00 63.31 H new ATOM 0 HA THR A 692 0.934 -3.153 8.156 1.00 22.24 H new ATOM 0 HB THR A 692 -0.961 -1.657 10.012 1.00 54.50 H new ATOM 0 HG1 THR A 692 1.233 -1.497 11.193 1.00 22.41 H new ATOM 0 HG21 THR A 692 -0.152 -3.282 11.670 1.00 63.22 H new ATOM 0 HG22 THR A 692 -0.907 -4.104 10.283 1.00 63.22 H new ATOM 0 HG23 THR A 692 0.866 -4.051 10.429 1.00 63.22 H new ATOM 1644 N PHE A 693 -1.063 -4.250 7.198 1.00 11.13 N ATOM 1645 CA PHE A 693 -2.164 -4.986 6.625 1.00 71.11 C ATOM 1646 C PHE A 693 -2.789 -5.884 7.662 1.00 72.52 C ATOM 1647 O PHE A 693 -2.139 -6.801 8.181 1.00 23.42 O ATOM 1648 CB PHE A 693 -1.669 -5.853 5.467 1.00 2.44 C ATOM 1649 CG PHE A 693 -1.300 -5.139 4.171 1.00 33.30 C ATOM 1650 CD1 PHE A 693 -0.852 -3.827 4.153 1.00 24.11 C ATOM 1651 CD2 PHE A 693 -1.419 -5.804 2.963 1.00 50.20 C ATOM 1652 CE1 PHE A 693 -0.542 -3.198 2.953 1.00 13.34 C ATOM 1653 CE2 PHE A 693 -1.106 -5.170 1.768 1.00 52.33 C ATOM 1654 CZ PHE A 693 -0.674 -3.866 1.773 1.00 43.01 C ATOM 0 H PHE A 693 -0.167 -4.730 7.114 1.00 11.13 H new ATOM 0 HA PHE A 693 -2.902 -4.269 6.265 1.00 71.11 H new ATOM 0 HB2 PHE A 693 -0.794 -6.406 5.809 1.00 2.44 H new ATOM 0 HB3 PHE A 693 -2.442 -6.587 5.240 1.00 2.44 H new ATOM 0 HD1 PHE A 693 -0.743 -3.288 5.082 1.00 24.11 H new ATOM 0 HD2 PHE A 693 -1.760 -6.829 2.950 1.00 50.20 H new ATOM 0 HE1 PHE A 693 -0.195 -2.175 2.956 1.00 13.34 H new ATOM 0 HE2 PHE A 693 -1.202 -5.703 0.833 1.00 52.33 H new ATOM 0 HZ PHE A 693 -0.439 -3.371 0.842 1.00 43.01 H new ATOM 1664 N LEU A 694 -4.020 -5.620 7.965 1.00 2.10 N ATOM 1665 CA LEU A 694 -4.772 -6.418 8.881 1.00 2.52 C ATOM 1666 C LEU A 694 -5.814 -7.161 8.100 1.00 43.14 C ATOM 1667 O LEU A 694 -6.263 -6.690 7.045 1.00 41.51 O ATOM 1668 CB LEU A 694 -5.485 -5.569 9.960 1.00 12.12 C ATOM 1669 CG LEU A 694 -4.628 -4.724 10.916 1.00 5.32 C ATOM 1670 CD1 LEU A 694 -3.556 -5.552 11.583 1.00 44.22 C ATOM 1671 CD2 LEU A 694 -4.061 -3.478 10.252 1.00 71.42 C ATOM 0 H LEU A 694 -4.539 -4.832 7.577 1.00 2.10 H new ATOM 0 HA LEU A 694 -4.081 -7.089 9.391 1.00 2.52 H new ATOM 0 HB2 LEU A 694 -6.174 -4.895 9.450 1.00 12.12 H new ATOM 0 HB3 LEU A 694 -6.090 -6.244 10.566 1.00 12.12 H new ATOM 0 HG LEU A 694 -5.296 -4.369 11.701 1.00 5.32 H new ATOM 0 HD11 LEU A 694 -2.971 -4.920 12.251 1.00 44.22 H new ATOM 0 HD12 LEU A 694 -4.020 -6.354 12.157 1.00 44.22 H new ATOM 0 HD13 LEU A 694 -2.902 -5.980 10.824 1.00 44.22 H new ATOM 0 HD21 LEU A 694 -3.465 -2.920 10.974 1.00 71.42 H new ATOM 0 HD22 LEU A 694 -3.433 -3.768 9.410 1.00 71.42 H new ATOM 0 HD23 LEU A 694 -4.879 -2.852 9.896 1.00 71.42 H new ATOM 1679 N CYS A 695 -6.204 -8.291 8.589 1.00 64.45 N ATOM 1680 CA CYS A 695 -7.238 -9.056 7.945 1.00 22.22 C ATOM 1681 C CYS A 695 -8.508 -8.945 8.795 1.00 13.32 C ATOM 1682 O CYS A 695 -9.389 -9.812 8.787 1.00 24.40 O ATOM 1683 CB CYS A 695 -6.779 -10.515 7.759 1.00 3.01 C ATOM 1684 SG CYS A 695 -7.900 -11.544 6.761 1.00 1.24 S ATOM 0 H CYS A 695 -5.825 -8.713 9.437 1.00 64.45 H new ATOM 0 HA CYS A 695 -7.450 -8.669 6.948 1.00 22.22 H new ATOM 0 HB2 CYS A 695 -5.795 -10.515 7.291 1.00 3.01 H new ATOM 0 HB3 CYS A 695 -6.665 -10.974 8.741 1.00 3.01 H new ATOM 1689 N ASP A 696 -8.602 -7.824 9.491 1.00 20.21 N ATOM 1690 CA ASP A 696 -9.738 -7.519 10.349 1.00 60.14 C ATOM 1691 C ASP A 696 -10.813 -6.912 9.499 1.00 43.21 C ATOM 1692 O ASP A 696 -10.613 -5.816 8.952 1.00 52.14 O ATOM 1693 CB ASP A 696 -9.327 -6.524 11.444 1.00 63.32 C ATOM 1694 CG ASP A 696 -10.460 -6.175 12.395 1.00 71.45 C ATOM 1695 OD1 ASP A 696 -10.629 -6.883 13.411 1.00 52.24 O ATOM 1696 OD2 ASP A 696 -11.187 -5.175 12.156 1.00 31.15 O ATOM 0 H ASP A 696 -7.889 -7.095 9.477 1.00 20.21 H new ATOM 0 HA ASP A 696 -10.095 -8.431 10.828 1.00 60.14 H new ATOM 0 HB2 ASP A 696 -8.499 -6.944 12.015 1.00 63.32 H new ATOM 0 HB3 ASP A 696 -8.960 -5.610 10.976 1.00 63.32 H new ATOM 1745 N GLY A 700 -12.574 -6.755 1.095 1.00 54.04 N ATOM 1746 CA GLY A 700 -12.237 -7.116 -0.241 1.00 55.15 C ATOM 1747 C GLY A 700 -10.776 -6.912 -0.524 1.00 71.24 C ATOM 1748 O GLY A 700 -9.917 -7.561 0.104 1.00 72.43 O ATOM 0 HA2 GLY A 700 -12.498 -8.161 -0.412 1.00 55.15 H new ATOM 0 HA3 GLY A 700 -12.828 -6.522 -0.938 1.00 55.15 H new ATOM 1752 N VAL A 701 -10.485 -5.984 -1.413 1.00 64.22 N ATOM 1753 CA VAL A 701 -9.126 -5.746 -1.870 1.00 10.14 C ATOM 1754 C VAL A 701 -8.248 -5.125 -0.765 1.00 43.33 C ATOM 1755 O VAL A 701 -7.094 -5.509 -0.594 1.00 11.12 O ATOM 1756 CB VAL A 701 -9.099 -4.884 -3.162 1.00 24.30 C ATOM 1757 CG1 VAL A 701 -7.688 -4.742 -3.694 1.00 51.14 C ATOM 1758 CG2 VAL A 701 -10.004 -5.488 -4.231 1.00 63.44 C ATOM 0 H VAL A 701 -11.181 -5.373 -1.840 1.00 64.22 H new ATOM 0 HA VAL A 701 -8.699 -6.719 -2.114 1.00 10.14 H new ATOM 0 HB VAL A 701 -9.471 -3.892 -2.907 1.00 24.30 H new ATOM 0 HG11 VAL A 701 -7.700 -4.134 -4.599 1.00 51.14 H new ATOM 0 HG12 VAL A 701 -7.062 -4.262 -2.942 1.00 51.14 H new ATOM 0 HG13 VAL A 701 -7.285 -5.728 -3.925 1.00 51.14 H new ATOM 0 HG21 VAL A 701 -9.971 -4.869 -5.128 1.00 63.44 H new ATOM 0 HG22 VAL A 701 -9.661 -6.494 -4.472 1.00 63.44 H new ATOM 0 HG23 VAL A 701 -11.027 -5.533 -3.859 1.00 63.44 H new ATOM 1764 N GLY A 702 -8.803 -4.215 -0.001 1.00 3.21 N ATOM 1765 CA GLY A 702 -8.052 -3.615 1.067 1.00 34.15 C ATOM 1766 C GLY A 702 -8.019 -2.118 0.992 1.00 2.02 C ATOM 1767 O GLY A 702 -7.631 -1.559 -0.021 1.00 42.41 O ATOM 0 H GLY A 702 -9.761 -3.879 -0.099 1.00 3.21 H new ATOM 0 HA2 GLY A 702 -8.484 -3.916 2.021 1.00 34.15 H new ATOM 0 HA3 GLY A 702 -7.031 -3.997 1.045 1.00 34.15 H new ATOM 1771 N PHE A 703 -8.439 -1.470 2.046 1.00 21.25 N ATOM 1772 CA PHE A 703 -8.420 -0.025 2.101 1.00 23.50 C ATOM 1773 C PHE A 703 -7.493 0.440 3.232 1.00 43.11 C ATOM 1774 O PHE A 703 -7.548 -0.122 4.336 1.00 13.51 O ATOM 1775 CB PHE A 703 -9.841 0.527 2.301 1.00 22.14 C ATOM 1776 CG PHE A 703 -9.908 2.028 2.266 1.00 50.21 C ATOM 1777 CD1 PHE A 703 -9.927 2.694 1.059 1.00 51.34 C ATOM 1778 CD2 PHE A 703 -9.939 2.769 3.434 1.00 3.33 C ATOM 1779 CE1 PHE A 703 -9.973 4.067 1.013 1.00 24.21 C ATOM 1780 CE2 PHE A 703 -9.987 4.144 3.389 1.00 33.54 C ATOM 1781 CZ PHE A 703 -10.003 4.793 2.172 1.00 32.43 C ATOM 0 H PHE A 703 -8.802 -1.920 2.886 1.00 21.25 H new ATOM 0 HA PHE A 703 -8.040 0.360 1.155 1.00 23.50 H new ATOM 0 HB2 PHE A 703 -10.492 0.123 1.526 1.00 22.14 H new ATOM 0 HB3 PHE A 703 -10.228 0.175 3.257 1.00 22.14 H new ATOM 0 HD1 PHE A 703 -9.905 2.130 0.138 1.00 51.34 H new ATOM 0 HD2 PHE A 703 -9.925 2.265 4.389 1.00 3.33 H new ATOM 0 HE1 PHE A 703 -9.985 4.574 0.059 1.00 24.21 H new ATOM 0 HE2 PHE A 703 -10.012 4.714 4.306 1.00 33.54 H new ATOM 0 HZ PHE A 703 -10.039 5.872 2.134 1.00 32.43 H new ATOM 1791 N PRO A 704 -6.599 1.427 2.971 1.00 12.51 N ATOM 1792 CA PRO A 704 -5.713 1.973 3.987 1.00 13.43 C ATOM 1793 C PRO A 704 -6.272 3.227 4.701 1.00 24.12 C ATOM 1794 O PRO A 704 -6.824 4.128 4.078 1.00 24.40 O ATOM 1795 CB PRO A 704 -4.472 2.346 3.183 1.00 20.51 C ATOM 1796 CG PRO A 704 -4.965 2.638 1.789 1.00 3.22 C ATOM 1797 CD PRO A 704 -6.356 2.046 1.658 1.00 71.34 C ATOM 0 HA PRO A 704 -5.548 1.257 4.792 1.00 13.43 H new ATOM 0 HB2 PRO A 704 -3.973 3.215 3.612 1.00 20.51 H new ATOM 0 HB3 PRO A 704 -3.747 1.532 3.180 1.00 20.51 H new ATOM 0 HG2 PRO A 704 -4.988 3.713 1.609 1.00 3.22 H new ATOM 0 HG3 PRO A 704 -4.294 2.205 1.047 1.00 3.22 H new ATOM 0 HD2 PRO A 704 -7.098 2.813 1.434 1.00 71.34 H new ATOM 0 HD3 PRO A 704 -6.404 1.311 0.854 1.00 71.34 H new ATOM 1805 N GLU A 705 -6.100 3.251 6.000 1.00 62.22 N ATOM 1806 CA GLU A 705 -6.476 4.359 6.862 1.00 24.45 C ATOM 1807 C GLU A 705 -5.276 4.887 7.625 1.00 62.20 C ATOM 1808 O GLU A 705 -4.537 4.118 8.238 1.00 41.32 O ATOM 1809 CB GLU A 705 -7.545 3.906 7.849 1.00 12.32 C ATOM 1810 CG GLU A 705 -8.965 3.975 7.321 1.00 62.44 C ATOM 1811 CD GLU A 705 -9.404 5.413 7.099 1.00 71.14 C ATOM 1812 OE1 GLU A 705 -9.672 6.124 8.094 1.00 71.53 O ATOM 1813 OE2 GLU A 705 -9.495 5.860 5.955 1.00 23.30 O ATOM 0 H GLU A 705 -5.680 2.474 6.510 1.00 62.22 H new ATOM 0 HA GLU A 705 -6.868 5.160 6.235 1.00 24.45 H new ATOM 0 HB2 GLU A 705 -7.333 2.880 8.148 1.00 12.32 H new ATOM 0 HB3 GLU A 705 -7.475 4.520 8.747 1.00 12.32 H new ATOM 0 HG2 GLU A 705 -9.034 3.423 6.384 1.00 62.44 H new ATOM 0 HG3 GLU A 705 -9.641 3.491 8.026 1.00 62.44 H new ATOM 1820 N TYR A 706 -5.076 6.187 7.587 1.00 61.01 N ATOM 1821 CA TYR A 706 -3.986 6.808 8.315 1.00 2.15 C ATOM 1822 C TYR A 706 -4.360 6.928 9.789 1.00 22.35 C ATOM 1823 O TYR A 706 -5.535 7.151 10.114 1.00 75.22 O ATOM 1824 CB TYR A 706 -3.636 8.191 7.723 1.00 15.54 C ATOM 1825 CG TYR A 706 -2.466 8.881 8.412 1.00 24.23 C ATOM 1826 CD1 TYR A 706 -1.285 8.192 8.691 1.00 63.00 C ATOM 1827 CD2 TYR A 706 -2.548 10.201 8.798 1.00 3.24 C ATOM 1828 CE1 TYR A 706 -0.230 8.805 9.333 1.00 23.01 C ATOM 1829 CE2 TYR A 706 -1.498 10.825 9.438 1.00 54.10 C ATOM 1830 CZ TYR A 706 -0.336 10.124 9.705 1.00 42.13 C ATOM 1831 OH TYR A 706 0.720 10.741 10.369 1.00 4.42 O ATOM 0 H TYR A 706 -5.656 6.838 7.058 1.00 61.01 H new ATOM 0 HA TYR A 706 -3.100 6.180 8.222 1.00 2.15 H new ATOM 0 HB2 TYR A 706 -3.403 8.074 6.665 1.00 15.54 H new ATOM 0 HB3 TYR A 706 -4.513 8.835 7.787 1.00 15.54 H new ATOM 0 HD1 TYR A 706 -1.195 7.156 8.398 1.00 63.00 H new ATOM 0 HD2 TYR A 706 -3.451 10.757 8.596 1.00 3.24 H new ATOM 0 HE1 TYR A 706 0.674 8.252 9.542 1.00 23.01 H new ATOM 0 HE2 TYR A 706 -1.583 11.861 9.731 1.00 54.10 H new ATOM 0 HH TYR A 706 1.452 10.905 9.738 1.00 4.42 H new ATOM 1841 N GLN A 707 -3.378 6.732 10.665 1.00 13.21 N ATOM 1842 CA GLN A 707 -3.579 6.818 12.109 1.00 62.41 C ATOM 1843 C GLN A 707 -4.141 8.189 12.543 1.00 14.54 C ATOM 1844 O GLN A 707 -5.318 8.287 12.895 1.00 3.33 O ATOM 1845 CB GLN A 707 -2.281 6.472 12.861 1.00 75.12 C ATOM 1846 CG GLN A 707 -1.775 5.055 12.638 1.00 64.45 C ATOM 1847 CD GLN A 707 -2.721 3.965 13.122 1.00 5.14 C ATOM 1848 OE1 GLN A 707 -3.943 4.118 13.134 1.00 52.44 O ATOM 1849 NE2 GLN A 707 -2.165 2.855 13.505 1.00 31.41 N ATOM 0 H GLN A 707 -2.420 6.509 10.394 1.00 13.21 H new ATOM 0 HA GLN A 707 -4.334 6.079 12.377 1.00 62.41 H new ATOM 0 HB2 GLN A 707 -1.503 7.173 12.557 1.00 75.12 H new ATOM 0 HB3 GLN A 707 -2.445 6.621 13.928 1.00 75.12 H new ATOM 0 HG2 GLN A 707 -1.590 4.912 11.573 1.00 64.45 H new ATOM 0 HG3 GLN A 707 -0.818 4.940 13.146 1.00 64.45 H new ATOM 0 HE21 GLN A 707 -1.150 2.759 13.483 1.00 31.41 H new ATOM 0 HE22 GLN A 707 -2.744 2.079 13.827 1.00 31.41 H new ATOM 1912 N SER A 712 6.732 11.426 11.602 1.00 42.24 N ATOM 1913 CA SER A 712 7.449 11.012 10.382 1.00 43.12 C ATOM 1914 C SER A 712 7.225 9.546 9.947 1.00 31.31 C ATOM 1915 O SER A 712 7.488 9.195 8.795 1.00 54.31 O ATOM 1916 CB SER A 712 8.954 11.300 10.554 1.00 0.34 C ATOM 1917 OG SER A 712 9.436 10.728 11.766 1.00 42.40 O ATOM 0 HA SER A 712 7.024 11.605 9.572 1.00 43.12 H new ATOM 0 HB2 SER A 712 9.507 10.893 9.708 1.00 0.34 H new ATOM 0 HB3 SER A 712 9.126 12.376 10.559 1.00 0.34 H new ATOM 0 HG SER A 712 8.686 10.585 12.381 1.00 42.40 H new ATOM 1923 N THR A 713 6.769 8.702 10.819 1.00 2.12 N ATOM 1924 CA THR A 713 6.568 7.329 10.462 1.00 3.24 C ATOM 1925 C THR A 713 5.091 7.079 10.267 1.00 43.21 C ATOM 1926 O THR A 713 4.359 6.698 11.203 1.00 60.20 O ATOM 1927 CB THR A 713 7.174 6.351 11.492 1.00 14.40 C ATOM 1928 OG1 THR A 713 8.563 6.680 11.696 1.00 54.23 O ATOM 1929 CG2 THR A 713 7.087 4.914 10.985 1.00 63.14 C ATOM 0 H THR A 713 6.529 8.937 11.782 1.00 2.12 H new ATOM 0 HA THR A 713 7.096 7.140 9.528 1.00 3.24 H new ATOM 0 HB THR A 713 6.616 6.438 12.424 1.00 14.40 H new ATOM 0 HG1 THR A 713 8.953 6.063 12.350 1.00 54.23 H new ATOM 0 HG21 THR A 713 7.519 4.240 11.725 1.00 63.14 H new ATOM 0 HG22 THR A 713 6.043 4.649 10.819 1.00 63.14 H new ATOM 0 HG23 THR A 713 7.637 4.825 10.048 1.00 63.14 H new ATOM 1935 N TYR A 714 4.653 7.354 9.067 1.00 2.01 N ATOM 1936 CA TYR A 714 3.273 7.258 8.711 1.00 62.15 C ATOM 1937 C TYR A 714 2.797 5.818 8.745 1.00 35.40 C ATOM 1938 O TYR A 714 3.225 4.984 7.936 1.00 23.33 O ATOM 1939 CB TYR A 714 3.023 7.903 7.345 1.00 53.44 C ATOM 1940 CG TYR A 714 3.259 9.407 7.313 1.00 42.34 C ATOM 1941 CD1 TYR A 714 4.538 9.950 7.190 1.00 11.21 C ATOM 1942 CD2 TYR A 714 2.192 10.283 7.410 1.00 3.21 C ATOM 1943 CE1 TYR A 714 4.725 11.319 7.166 1.00 74.32 C ATOM 1944 CE2 TYR A 714 2.376 11.648 7.386 1.00 12.20 C ATOM 1945 CZ TYR A 714 3.639 12.161 7.267 1.00 33.42 C ATOM 1946 OH TYR A 714 3.822 13.532 7.235 1.00 54.14 O ATOM 0 H TYR A 714 5.258 7.655 8.303 1.00 2.01 H new ATOM 0 HA TYR A 714 2.690 7.807 9.450 1.00 62.15 H new ATOM 0 HB2 TYR A 714 3.671 7.429 6.608 1.00 53.44 H new ATOM 0 HB3 TYR A 714 1.995 7.701 7.043 1.00 53.44 H new ATOM 0 HD1 TYR A 714 5.392 9.293 7.113 1.00 11.21 H new ATOM 0 HD2 TYR A 714 1.192 9.887 7.507 1.00 3.21 H new ATOM 0 HE1 TYR A 714 5.720 11.728 7.068 1.00 74.32 H new ATOM 0 HE2 TYR A 714 1.527 12.311 7.461 1.00 12.20 H new ATOM 0 HH TYR A 714 2.954 13.980 7.317 1.00 54.14 H new ATOM 1956 N ASN A 715 1.943 5.524 9.702 1.00 54.32 N ATOM 1957 CA ASN A 715 1.401 4.191 9.855 1.00 23.11 C ATOM 1958 C ASN A 715 0.014 4.153 9.253 1.00 63.51 C ATOM 1959 O ASN A 715 -0.800 5.059 9.489 1.00 0.13 O ATOM 1960 CB ASN A 715 1.289 3.801 11.333 1.00 22.24 C ATOM 1961 CG ASN A 715 0.942 2.317 11.545 1.00 15.42 C ATOM 1962 OD1 ASN A 715 0.266 1.962 12.507 1.00 71.03 O ATOM 1963 ND2 ASN A 715 1.431 1.446 10.672 1.00 72.34 N ATOM 0 H ASN A 715 1.607 6.197 10.391 1.00 54.32 H new ATOM 0 HA ASN A 715 2.071 3.493 9.354 1.00 23.11 H new ATOM 0 HB2 ASN A 715 2.232 4.022 11.833 1.00 22.24 H new ATOM 0 HB3 ASN A 715 0.525 4.417 11.808 1.00 22.24 H new ATOM 0 HD21 ASN A 715 1.249 0.449 10.789 1.00 72.34 H new ATOM 0 HD22 ASN A 715 1.989 1.773 9.883 1.00 72.34 H new ATOM 1969 N PHE A 716 -0.257 3.141 8.486 1.00 2.51 N ATOM 1970 CA PHE A 716 -1.554 2.982 7.880 1.00 32.53 C ATOM 1971 C PHE A 716 -2.159 1.655 8.221 1.00 71.45 C ATOM 1972 O PHE A 716 -1.478 0.641 8.227 1.00 11.44 O ATOM 1973 CB PHE A 716 -1.489 3.157 6.362 1.00 44.52 C ATOM 1974 CG PHE A 716 -1.212 4.559 5.937 1.00 73.45 C ATOM 1975 CD1 PHE A 716 0.078 5.062 5.917 1.00 42.50 C ATOM 1976 CD2 PHE A 716 -2.249 5.382 5.563 1.00 4.12 C ATOM 1977 CE1 PHE A 716 0.313 6.362 5.535 1.00 70.44 C ATOM 1978 CE2 PHE A 716 -2.016 6.674 5.177 1.00 10.33 C ATOM 1979 CZ PHE A 716 -0.737 7.165 5.166 1.00 4.14 C ATOM 0 H PHE A 716 0.409 2.402 8.260 1.00 2.51 H new ATOM 0 HA PHE A 716 -2.193 3.765 8.288 1.00 32.53 H new ATOM 0 HB2 PHE A 716 -0.713 2.504 5.962 1.00 44.52 H new ATOM 0 HB3 PHE A 716 -2.434 2.833 5.926 1.00 44.52 H new ATOM 0 HD1 PHE A 716 0.905 4.429 6.203 1.00 42.50 H new ATOM 0 HD2 PHE A 716 -3.260 5.003 5.574 1.00 4.12 H new ATOM 0 HE1 PHE A 716 1.321 6.750 5.525 1.00 70.44 H new ATOM 0 HE2 PHE A 716 -2.840 7.306 4.881 1.00 10.33 H new ATOM 0 HZ PHE A 716 -0.555 8.186 4.866 1.00 4.14 H new ATOM 1989 N ARG A 717 -3.420 1.677 8.527 1.00 61.32 N ATOM 1990 CA ARG A 717 -4.176 0.487 8.785 1.00 71.52 C ATOM 1991 C ARG A 717 -4.921 0.103 7.535 1.00 11.32 C ATOM 1992 O ARG A 717 -5.869 0.758 7.136 1.00 64.33 O ATOM 1993 CB ARG A 717 -5.136 0.678 9.954 1.00 41.01 C ATOM 1994 CG ARG A 717 -4.456 0.805 11.305 1.00 41.40 C ATOM 1995 CD ARG A 717 -5.471 1.039 12.410 1.00 15.30 C ATOM 1996 NE ARG A 717 -6.121 2.358 12.302 1.00 31.44 N ATOM 1997 CZ ARG A 717 -7.451 2.573 12.276 1.00 20.15 C ATOM 1998 NH1 ARG A 717 -8.304 1.555 12.197 1.00 3.13 N ATOM 1999 NH2 ARG A 717 -7.918 3.808 12.299 1.00 24.41 N ATOM 0 H ARG A 717 -3.963 2.537 8.606 1.00 61.32 H new ATOM 0 HA ARG A 717 -3.492 -0.315 9.064 1.00 71.52 H new ATOM 0 HB2 ARG A 717 -5.734 1.572 9.776 1.00 41.01 H new ATOM 0 HB3 ARG A 717 -5.825 -0.166 9.985 1.00 41.01 H new ATOM 0 HG2 ARG A 717 -3.887 -0.101 11.516 1.00 41.40 H new ATOM 0 HG3 ARG A 717 -3.744 1.630 11.281 1.00 41.40 H new ATOM 0 HD2 ARG A 717 -6.231 0.258 12.374 1.00 15.30 H new ATOM 0 HD3 ARG A 717 -4.976 0.958 13.378 1.00 15.30 H new ATOM 0 HE ARG A 717 -5.514 3.175 12.242 1.00 31.44 H new ATOM 0 HH11 ARG A 717 -7.954 0.598 12.155 1.00 3.13 H new ATOM 0 HH12 ARG A 717 -9.308 1.732 12.178 1.00 3.13 H new ATOM 0 HH21 ARG A 717 -7.272 4.597 12.336 1.00 24.41 H new ATOM 0 HH22 ARG A 717 -8.924 3.973 12.279 1.00 24.41 H new ATOM 2011 N TRP A 718 -4.454 -0.914 6.917 1.00 53.40 N ATOM 2012 CA TRP A 718 -4.985 -1.414 5.678 1.00 44.41 C ATOM 2013 C TRP A 718 -5.743 -2.689 5.986 1.00 34.01 C ATOM 2014 O TRP A 718 -5.163 -3.655 6.465 1.00 3.14 O ATOM 2015 CB TRP A 718 -3.793 -1.701 4.764 1.00 31.24 C ATOM 2016 CG TRP A 718 -4.058 -2.106 3.339 1.00 71.14 C ATOM 2017 CD1 TRP A 718 -4.782 -3.170 2.893 1.00 64.44 C ATOM 2018 CD2 TRP A 718 -3.497 -1.489 2.165 1.00 33.10 C ATOM 2019 NE1 TRP A 718 -4.726 -3.234 1.523 1.00 5.31 N ATOM 2020 CE2 TRP A 718 -3.943 -2.218 1.060 1.00 33.13 C ATOM 2021 CE3 TRP A 718 -2.663 -0.376 1.943 1.00 63.25 C ATOM 2022 CZ2 TRP A 718 -3.584 -1.886 -0.236 1.00 33.02 C ATOM 2023 CZ3 TRP A 718 -2.314 -0.058 0.660 1.00 35.23 C ATOM 2024 CH2 TRP A 718 -2.770 -0.808 -0.408 1.00 32.10 C ATOM 0 H TRP A 718 -3.660 -1.453 7.262 1.00 53.40 H new ATOM 0 HA TRP A 718 -5.658 -0.707 5.193 1.00 44.41 H new ATOM 0 HB2 TRP A 718 -3.169 -0.807 4.743 1.00 31.24 H new ATOM 0 HB3 TRP A 718 -3.203 -2.491 5.228 1.00 31.24 H new ATOM 0 HD1 TRP A 718 -5.321 -3.861 3.524 1.00 64.44 H new ATOM 0 HE1 TRP A 718 -5.195 -3.930 0.944 1.00 5.31 H new ATOM 0 HE3 TRP A 718 -2.305 0.216 2.772 1.00 63.25 H new ATOM 0 HZ2 TRP A 718 -3.937 -2.461 -1.079 1.00 33.02 H new ATOM 0 HZ3 TRP A 718 -1.673 0.792 0.478 1.00 35.23 H new ATOM 0 HH2 TRP A 718 -2.472 -0.531 -1.408 1.00 32.10 H new ATOM 2035 N TYR A 719 -7.018 -2.681 5.757 1.00 34.22 N ATOM 2036 CA TYR A 719 -7.834 -3.842 6.047 1.00 51.23 C ATOM 2037 C TYR A 719 -8.150 -4.592 4.776 1.00 12.33 C ATOM 2038 O TYR A 719 -8.909 -4.113 3.934 1.00 2.31 O ATOM 2039 CB TYR A 719 -9.094 -3.435 6.801 1.00 53.22 C ATOM 2040 CG TYR A 719 -8.789 -2.802 8.143 1.00 42.13 C ATOM 2041 CD1 TYR A 719 -8.535 -3.593 9.247 1.00 53.03 C ATOM 2042 CD2 TYR A 719 -8.749 -1.422 8.303 1.00 52.45 C ATOM 2043 CE1 TYR A 719 -8.254 -3.040 10.475 1.00 74.10 C ATOM 2044 CE2 TYR A 719 -8.466 -0.858 9.533 1.00 21.23 C ATOM 2045 CZ TYR A 719 -8.221 -1.679 10.617 1.00 12.32 C ATOM 2046 OH TYR A 719 -7.934 -1.132 11.848 1.00 30.23 O ATOM 0 H TYR A 719 -7.528 -1.887 5.369 1.00 34.22 H new ATOM 0 HA TYR A 719 -7.275 -4.518 6.694 1.00 51.23 H new ATOM 0 HB2 TYR A 719 -9.666 -2.733 6.194 1.00 53.22 H new ATOM 0 HB3 TYR A 719 -9.723 -4.313 6.952 1.00 53.22 H new ATOM 0 HD1 TYR A 719 -8.558 -4.668 9.144 1.00 53.03 H new ATOM 0 HD2 TYR A 719 -8.942 -0.782 7.455 1.00 52.45 H new ATOM 0 HE1 TYR A 719 -8.060 -3.678 11.325 1.00 74.10 H new ATOM 0 HE2 TYR A 719 -8.437 0.216 9.646 1.00 21.23 H new ATOM 0 HH TYR A 719 -7.345 -1.737 12.345 1.00 30.23 H new ATOM 2056 N THR A 720 -7.542 -5.748 4.630 1.00 13.11 N ATOM 2057 CA THR A 720 -7.653 -6.527 3.418 1.00 14.30 C ATOM 2058 C THR A 720 -7.912 -8.006 3.686 1.00 41.25 C ATOM 2059 O THR A 720 -7.399 -8.578 4.651 1.00 43.15 O ATOM 2060 CB THR A 720 -6.408 -6.360 2.507 1.00 11.20 C ATOM 2061 OG1 THR A 720 -6.524 -7.189 1.348 1.00 72.31 O ATOM 2062 CG2 THR A 720 -5.130 -6.700 3.235 1.00 12.14 C ATOM 0 H THR A 720 -6.957 -6.174 5.348 1.00 13.11 H new ATOM 0 HA THR A 720 -8.523 -6.131 2.894 1.00 14.30 H new ATOM 0 HB THR A 720 -6.366 -5.312 2.210 1.00 11.20 H new ATOM 0 HG1 THR A 720 -6.938 -6.679 0.621 1.00 72.31 H new ATOM 0 HG21 THR A 720 -4.282 -6.570 2.562 1.00 12.14 H new ATOM 0 HG22 THR A 720 -5.015 -6.041 4.095 1.00 12.14 H new ATOM 0 HG23 THR A 720 -5.169 -7.735 3.574 1.00 12.14 H new ATOM 2068 N SER A 721 -8.710 -8.615 2.822 1.00 72.23 N ATOM 2069 CA SER A 721 -8.993 -10.032 2.890 1.00 2.45 C ATOM 2070 C SER A 721 -7.719 -10.816 2.481 1.00 12.22 C ATOM 2071 O SER A 721 -7.504 -11.965 2.894 1.00 44.21 O ATOM 2072 CB SER A 721 -10.172 -10.373 1.956 1.00 42.03 C ATOM 2073 OG SER A 721 -10.576 -11.726 2.089 1.00 3.45 O ATOM 0 H SER A 721 -9.179 -8.135 2.054 1.00 72.23 H new ATOM 0 HA SER A 721 -9.273 -10.312 3.905 1.00 2.45 H new ATOM 0 HB2 SER A 721 -11.014 -9.719 2.180 1.00 42.03 H new ATOM 0 HB3 SER A 721 -9.885 -10.180 0.923 1.00 42.03 H new ATOM 0 HG SER A 721 -11.326 -11.905 1.483 1.00 3.45 H new ATOM 2079 N TYR A 722 -6.862 -10.155 1.690 1.00 15.31 N ATOM 2080 CA TYR A 722 -5.613 -10.738 1.199 1.00 62.54 C ATOM 2081 C TYR A 722 -4.582 -10.957 2.307 1.00 1.44 C ATOM 2082 O TYR A 722 -3.567 -11.617 2.090 1.00 43.14 O ATOM 2083 CB TYR A 722 -4.998 -9.899 0.082 1.00 15.10 C ATOM 2084 CG TYR A 722 -5.733 -9.932 -1.242 1.00 42.11 C ATOM 2085 CD1 TYR A 722 -6.742 -9.027 -1.546 1.00 4.42 C ATOM 2086 CD2 TYR A 722 -5.387 -10.866 -2.203 1.00 34.43 C ATOM 2087 CE1 TYR A 722 -7.378 -9.064 -2.776 1.00 43.13 C ATOM 2088 CE2 TYR A 722 -6.016 -10.911 -3.421 1.00 55.45 C ATOM 2089 CZ TYR A 722 -7.007 -10.011 -3.706 1.00 64.02 C ATOM 2090 OH TYR A 722 -7.627 -10.054 -4.928 1.00 24.10 O ATOM 0 H TYR A 722 -7.019 -9.198 1.374 1.00 15.31 H new ATOM 0 HA TYR A 722 -5.884 -11.715 0.800 1.00 62.54 H new ATOM 0 HB2 TYR A 722 -4.940 -8.864 0.419 1.00 15.10 H new ATOM 0 HB3 TYR A 722 -3.975 -10.239 -0.082 1.00 15.10 H new ATOM 0 HD1 TYR A 722 -7.034 -8.287 -0.816 1.00 4.42 H new ATOM 0 HD2 TYR A 722 -4.603 -11.577 -1.989 1.00 34.43 H new ATOM 0 HE1 TYR A 722 -8.160 -8.355 -3.005 1.00 43.13 H new ATOM 0 HE2 TYR A 722 -5.731 -11.653 -4.152 1.00 55.45 H new ATOM 0 HH TYR A 722 -7.245 -10.780 -5.463 1.00 24.10 H new ATOM 2100 N ALA A 723 -4.829 -10.395 3.485 1.00 25.01 N ATOM 2101 CA ALA A 723 -3.922 -10.578 4.612 1.00 5.24 C ATOM 2102 C ALA A 723 -4.153 -11.951 5.261 1.00 54.15 C ATOM 2103 O ALA A 723 -3.429 -12.363 6.166 1.00 65.24 O ATOM 2104 CB ALA A 723 -4.064 -9.443 5.613 1.00 4.22 C ATOM 0 H ALA A 723 -5.643 -9.813 3.684 1.00 25.01 H new ATOM 0 HA ALA A 723 -2.895 -10.552 4.247 1.00 5.24 H new ATOM 0 HB1 ALA A 723 -3.377 -9.603 6.444 1.00 4.22 H new ATOM 0 HB2 ALA A 723 -3.830 -8.497 5.126 1.00 4.22 H new ATOM 0 HB3 ALA A 723 -5.087 -9.415 5.988 1.00 4.22 H new ATOM 2110 N CYS A 724 -5.162 -12.636 4.786 1.00 43.24 N ATOM 2111 CA CYS A 724 -5.447 -13.999 5.188 1.00 31.50 C ATOM 2112 C CYS A 724 -5.209 -14.895 3.991 1.00 22.20 C ATOM 2113 O CYS A 724 -5.468 -14.469 2.865 1.00 71.24 O ATOM 2114 CB CYS A 724 -6.906 -14.180 5.649 1.00 2.33 C ATOM 2115 SG CYS A 724 -7.323 -13.407 7.243 1.00 43.11 S ATOM 0 H CYS A 724 -5.819 -12.263 4.101 1.00 43.24 H new ATOM 0 HA CYS A 724 -4.799 -14.251 6.028 1.00 31.50 H new ATOM 0 HB2 CYS A 724 -7.565 -13.771 4.883 1.00 2.33 H new ATOM 0 HB3 CYS A 724 -7.118 -15.247 5.715 1.00 2.33 H new ATOM 2120 N PRO A 725 -4.683 -16.114 4.179 1.00 25.35 N ATOM 2121 CA PRO A 725 -4.497 -17.058 3.079 1.00 3.43 C ATOM 2122 C PRO A 725 -5.841 -17.585 2.572 1.00 44.43 C ATOM 2123 O PRO A 725 -6.440 -16.954 1.665 1.00 37.00 O ATOM 2124 CB PRO A 725 -3.673 -18.204 3.703 1.00 63.22 C ATOM 2125 CG PRO A 725 -3.205 -17.686 5.021 1.00 14.40 C ATOM 2126 CD PRO A 725 -4.207 -16.663 5.450 1.00 71.40 C ATOM 2127 OXT PRO A 725 -6.315 -18.620 3.082 1.00 37.00 O ATOM 0 HA PRO A 725 -4.006 -16.599 2.220 1.00 3.43 H new ATOM 0 HB2 PRO A 725 -4.279 -19.101 3.827 1.00 63.22 H new ATOM 0 HB3 PRO A 725 -2.831 -18.474 3.066 1.00 63.22 H new ATOM 0 HG2 PRO A 725 -3.134 -18.491 5.752 1.00 14.40 H new ATOM 0 HG3 PRO A 725 -2.212 -17.245 4.935 1.00 14.40 H new ATOM 0 HD2 PRO A 725 -5.018 -17.109 6.026 1.00 71.40 H new ATOM 0 HD3 PRO A 725 -3.756 -15.895 6.078 1.00 71.40 H new