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 692 THR OG1 : rot -150:sc= 0.542 USER MOD Set 1.2: A 707 GLN : amide:sc= -0.742 K(o=-1.9,f=-0.82) USER MOD Set 1.3: A 715 ASN : amide:sc= -1.74 K(o=-1.9,f=-0.82) USER MOD Set 2.1: A 681 ASN : amide:sc= -0.383 K(o=-0.35,f=-1.8!) USER MOD Set 2.2: A 685 THR OG1 : rot -170:sc= 0.038 USER MOD Set 3.1: A 644 GLN : amide:sc= 0.712 K(o=2,f=-0.15) USER MOD Set 3.2: A 714 TYR OH : rot -30:sc= 1.24 USER MOD Set 4.1: A 640 SER OG : rot 132:sc= -0.899! USER MOD Set 4.2: A 654 ASN : amide:sc= 1.03 K(o=0.13,f=-5.3) USER MOD Single : A 587 THR OG1 : rot 122:sc= 1.23 USER MOD Single : A 591 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 593 THR OG1 : rot -79:sc= 0.996 USER MOD Single : A 597 SER OG : rot 180:sc= 0 USER MOD Single : A 598 GLN : amide:sc= -1.51! K(o=-1.5!,f=-0.7) USER MOD Single : A 602 SER OG : rot 180:sc= 0 USER MOD Single : A 606 THR OG1 : rot 121:sc= 0.0612 USER MOD Single : A 609 THR OG1 : rot 178:sc= 0.207 USER MOD Single : A 610 LYS NZ :NH3+ 180:sc= 1.25 (180deg=1.25) USER MOD Single : A 611 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 614 TYR OH : rot 6:sc= 1.12 USER MOD Single : A 615 LYS NZ :NH3+ -166:sc= 1.19 (180deg=1.11) USER MOD Single : A 618 THR OG1 : rot -46:sc= 1.91 USER MOD Single : A 620 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0181) USER MOD Single : A 621 TYR OH : rot 180:sc= 0 USER MOD Single : A 624 HIS : no HD1:sc= 0.662 K(o=0.66,f=-5.6!) USER MOD Single : A 626 ASN : amide:sc= 1.86 K(o=1.9,f=-7.2!) USER MOD Single : A 632 SER OG : rot 129:sc= 1.29 USER MOD Single : A 646 SER OG : rot 166:sc= 1.8 USER MOD Single : A 648 SER OG : rot 180:sc= 0.0257 USER MOD Single : A 651 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 652 SER OG : rot 161:sc= 1.24 USER MOD Single : A 658 SER OG : rot 170:sc= -0.216 USER MOD Single : A 659 ASN : amide:sc= -1.09! C(o=-1.1!,f=-4.7!) USER MOD Single : A 661 LYS NZ :NH3+ 174:sc= 1.28 (180deg=1.14) USER MOD Single : A 663 SER OG : rot 180:sc= 0 USER MOD Single : A 664 TYR OH : rot 102:sc= -0.686 USER MOD Single : A 665 TYR OH : rot 180:sc= 0 USER MOD Single : A 668 MET CE :methyl -170:sc= -0.243 (180deg=-0.462) USER MOD Single : A 670 GLN : amide:sc= -2.06! C(o=-2.1!,f=-1.6!) USER MOD Single : A 672 THR OG1 : rot 180:sc= 0 USER MOD Single : A 673 TYR OH : rot -178:sc= 1.27 USER MOD Single : A 677 THR OG1 : rot -169:sc= 0.117 USER MOD Single : A 679 TYR OH : rot 150:sc= -4.49! USER MOD Single : A 680 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 683 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 689 THR OG1 : rot -160:sc= -0.961 USER MOD Single : A 706 TYR OH : rot 50:sc= 0.554 USER MOD Single : A 712 SER OG : rot -35:sc= 0.102 USER MOD Single : A 713 THR OG1 : rot 180:sc= 0 USER MOD Single : A 719 TYR OH : rot 30:sc= -0.0208 USER MOD Single : A 720 THR OG1 : rot 125:sc= 0.655 USER MOD Single : A 721 SER OG : rot -120:sc= 1.12 USER MOD Single : A 722 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 114 N ARG A 586 10.984 -10.750 11.367 1.00 24.51 N ATOM 115 CA ARG A 586 10.244 -10.160 10.281 1.00 41.35 C ATOM 116 C ARG A 586 10.949 -10.531 8.990 1.00 71.41 C ATOM 117 O ARG A 586 12.173 -10.415 8.899 1.00 32.43 O ATOM 118 CB ARG A 586 10.196 -8.637 10.453 1.00 54.02 C ATOM 119 CG ARG A 586 9.470 -7.885 9.345 1.00 1.53 C ATOM 120 CD ARG A 586 9.451 -6.386 9.616 1.00 65.22 C ATOM 121 NE ARG A 586 10.803 -5.805 9.690 1.00 21.43 N ATOM 122 CZ ARG A 586 11.070 -4.554 10.099 1.00 4.32 C ATOM 123 NH1 ARG A 586 10.081 -3.726 10.368 1.00 53.45 N ATOM 124 NH2 ARG A 586 12.325 -4.132 10.206 1.00 71.14 N ATOM 0 HA ARG A 586 9.218 -10.527 10.265 1.00 41.35 H new ATOM 0 HB2 ARG A 586 9.712 -8.409 11.403 1.00 54.02 H new ATOM 0 HB3 ARG A 586 11.217 -8.262 10.517 1.00 54.02 H new ATOM 0 HG2 ARG A 586 9.959 -8.078 8.390 1.00 1.53 H new ATOM 0 HG3 ARG A 586 8.448 -8.255 9.260 1.00 1.53 H new ATOM 0 HD2 ARG A 586 8.887 -5.886 8.829 1.00 65.22 H new ATOM 0 HD3 ARG A 586 8.927 -6.197 10.553 1.00 65.22 H new ATOM 0 HE ARG A 586 11.589 -6.392 9.412 1.00 21.43 H new ATOM 0 HH11 ARG A 586 9.115 -4.036 10.266 1.00 53.45 H new ATOM 0 HH12 ARG A 586 10.282 -2.775 10.679 1.00 53.45 H new ATOM 0 HH21 ARG A 586 13.095 -4.760 9.977 1.00 71.14 H new ATOM 0 HH22 ARG A 586 12.518 -3.180 10.517 1.00 71.14 H new ATOM 136 N THR A 587 10.215 -10.994 8.028 1.00 31.51 N ATOM 137 CA THR A 587 10.791 -11.404 6.774 1.00 23.51 C ATOM 138 C THR A 587 10.351 -10.450 5.663 1.00 25.13 C ATOM 139 O THR A 587 9.191 -10.060 5.608 1.00 2.23 O ATOM 140 CB THR A 587 10.346 -12.839 6.435 1.00 42.53 C ATOM 141 OG1 THR A 587 10.681 -13.718 7.528 1.00 72.52 O ATOM 142 CG2 THR A 587 11.035 -13.333 5.177 1.00 21.23 C ATOM 0 H THR A 587 9.202 -11.101 8.083 1.00 31.51 H new ATOM 0 HA THR A 587 11.877 -11.378 6.858 1.00 23.51 H new ATOM 0 HB THR A 587 9.268 -12.835 6.271 1.00 42.53 H new ATOM 0 HG1 THR A 587 9.867 -14.150 7.861 1.00 72.52 H new ATOM 0 HG21 THR A 587 10.706 -14.348 4.957 1.00 21.23 H new ATOM 0 HG22 THR A 587 10.780 -12.680 4.342 1.00 21.23 H new ATOM 0 HG23 THR A 587 12.115 -13.326 5.327 1.00 21.23 H new ATOM 148 N GLU A 588 11.266 -10.050 4.809 1.00 24.40 N ATOM 149 CA GLU A 588 10.912 -9.162 3.723 1.00 50.50 C ATOM 150 C GLU A 588 11.052 -9.827 2.369 1.00 42.50 C ATOM 151 O GLU A 588 11.993 -10.593 2.123 1.00 44.25 O ATOM 152 CB GLU A 588 11.704 -7.841 3.773 1.00 45.50 C ATOM 153 CG GLU A 588 13.219 -7.991 3.723 1.00 21.34 C ATOM 154 CD GLU A 588 13.922 -6.658 3.798 1.00 64.24 C ATOM 155 OE1 GLU A 588 13.792 -5.972 4.838 1.00 55.25 O ATOM 156 OE2 GLU A 588 14.607 -6.259 2.828 1.00 5.13 O ATOM 0 H GLU A 588 12.249 -10.321 4.843 1.00 24.40 H new ATOM 0 HA GLU A 588 9.858 -8.920 3.860 1.00 50.50 H new ATOM 0 HB2 GLU A 588 11.389 -7.215 2.938 1.00 45.50 H new ATOM 0 HB3 GLU A 588 11.437 -7.310 4.687 1.00 45.50 H new ATOM 0 HG2 GLU A 588 13.548 -8.621 4.549 1.00 21.34 H new ATOM 0 HG3 GLU A 588 13.503 -8.499 2.801 1.00 21.34 H new ATOM 163 N GLY A 589 10.106 -9.559 1.520 1.00 73.20 N ATOM 164 CA GLY A 589 10.152 -10.016 0.165 1.00 55.54 C ATOM 165 C GLY A 589 10.612 -8.889 -0.704 1.00 11.12 C ATOM 166 O GLY A 589 10.649 -7.753 -0.247 1.00 51.42 O ATOM 0 H GLY A 589 9.275 -9.014 1.750 1.00 73.20 H new ATOM 0 HA2 GLY A 589 10.830 -10.864 0.075 1.00 55.54 H new ATOM 0 HA3 GLY A 589 9.167 -10.360 -0.152 1.00 55.54 H new ATOM 170 N ASP A 590 10.939 -9.162 -1.931 1.00 2.33 N ATOM 171 CA ASP A 590 11.504 -8.122 -2.786 1.00 1.22 C ATOM 172 C ASP A 590 10.527 -7.500 -3.745 1.00 32.43 C ATOM 173 O ASP A 590 10.275 -6.312 -3.675 1.00 12.00 O ATOM 174 CB ASP A 590 12.762 -8.573 -3.523 1.00 33.52 C ATOM 175 CG ASP A 590 13.931 -8.798 -2.603 1.00 13.23 C ATOM 176 OD1 ASP A 590 14.618 -7.807 -2.237 1.00 42.32 O ATOM 177 OD2 ASP A 590 14.202 -9.965 -2.239 1.00 20.15 O ATOM 0 H ASP A 590 10.833 -10.076 -2.372 1.00 2.33 H new ATOM 0 HA ASP A 590 11.784 -7.339 -2.081 1.00 1.22 H new ATOM 0 HB2 ASP A 590 12.549 -9.495 -4.064 1.00 33.52 H new ATOM 0 HB3 ASP A 590 13.030 -7.822 -4.266 1.00 33.52 H new ATOM 182 N ASN A 591 9.977 -8.276 -4.645 1.00 2.44 N ATOM 183 CA ASN A 591 9.114 -7.698 -5.661 1.00 11.41 C ATOM 184 C ASN A 591 7.649 -8.003 -5.456 1.00 21.54 C ATOM 185 O ASN A 591 7.139 -9.010 -5.957 1.00 11.20 O ATOM 186 CB ASN A 591 9.558 -8.036 -7.100 1.00 65.45 C ATOM 187 CG ASN A 591 10.922 -7.465 -7.470 1.00 33.32 C ATOM 188 OD1 ASN A 591 11.030 -6.338 -7.953 1.00 63.04 O ATOM 189 ND2 ASN A 591 11.961 -8.237 -7.277 1.00 71.24 N ATOM 0 H ASN A 591 10.103 -9.287 -4.702 1.00 2.44 H new ATOM 0 HA ASN A 591 9.230 -6.622 -5.533 1.00 11.41 H new ATOM 0 HB2 ASN A 591 9.583 -9.119 -7.218 1.00 65.45 H new ATOM 0 HB3 ASN A 591 8.813 -7.656 -7.799 1.00 65.45 H new ATOM 0 HD21 ASN A 591 12.894 -7.909 -7.529 1.00 71.24 H new ATOM 0 HD22 ASN A 591 11.838 -9.166 -6.875 1.00 71.24 H new ATOM 195 N CYS A 592 7.005 -7.169 -4.629 1.00 52.01 N ATOM 196 CA CYS A 592 5.540 -7.156 -4.413 1.00 23.31 C ATOM 197 C CYS A 592 5.068 -8.501 -3.832 1.00 2.03 C ATOM 198 O CYS A 592 3.887 -8.857 -3.876 1.00 72.20 O ATOM 199 CB CYS A 592 4.848 -6.843 -5.761 1.00 73.21 C ATOM 200 SG CYS A 592 3.130 -6.234 -5.651 1.00 70.43 S ATOM 0 H CYS A 592 7.494 -6.465 -4.075 1.00 52.01 H new ATOM 0 HA CYS A 592 5.274 -6.386 -3.689 1.00 23.31 H new ATOM 0 HB2 CYS A 592 5.444 -6.099 -6.289 1.00 73.21 H new ATOM 0 HB3 CYS A 592 4.855 -7.747 -6.370 1.00 73.21 H new ATOM 205 N THR A 593 5.999 -9.194 -3.221 1.00 53.22 N ATOM 206 CA THR A 593 5.800 -10.508 -2.695 1.00 34.44 C ATOM 207 C THR A 593 6.575 -10.649 -1.403 1.00 20.53 C ATOM 208 O THR A 593 7.454 -9.833 -1.121 1.00 3.32 O ATOM 209 CB THR A 593 6.317 -11.552 -3.710 1.00 33.53 C ATOM 210 OG1 THR A 593 7.605 -11.144 -4.188 1.00 61.13 O ATOM 211 CG2 THR A 593 5.376 -11.716 -4.888 1.00 21.35 C ATOM 0 H THR A 593 6.944 -8.840 -3.076 1.00 53.22 H new ATOM 0 HA THR A 593 4.738 -10.670 -2.511 1.00 34.44 H new ATOM 0 HB THR A 593 6.381 -12.513 -3.199 1.00 33.53 H new ATOM 0 HG1 THR A 593 7.495 -10.452 -4.874 1.00 61.13 H new ATOM 0 HG21 THR A 593 5.780 -12.459 -5.575 1.00 21.35 H new ATOM 0 HG22 THR A 593 4.400 -12.044 -4.531 1.00 21.35 H new ATOM 0 HG23 THR A 593 5.271 -10.762 -5.406 1.00 21.35 H new ATOM 217 N VAL A 594 6.223 -11.633 -0.619 1.00 53.54 N ATOM 218 CA VAL A 594 6.919 -11.960 0.594 1.00 22.14 C ATOM 219 C VAL A 594 6.766 -13.436 0.892 1.00 45.15 C ATOM 220 O VAL A 594 5.656 -13.982 0.846 1.00 22.31 O ATOM 221 CB VAL A 594 6.487 -11.074 1.810 1.00 43.43 C ATOM 222 CG1 VAL A 594 4.974 -11.074 2.000 1.00 33.13 C ATOM 223 CG2 VAL A 594 7.178 -11.536 3.090 1.00 61.15 C ATOM 0 H VAL A 594 5.427 -12.242 -0.811 1.00 53.54 H new ATOM 0 HA VAL A 594 7.974 -11.738 0.436 1.00 22.14 H new ATOM 0 HB VAL A 594 6.797 -10.052 1.591 1.00 43.43 H new ATOM 0 HG11 VAL A 594 4.714 -10.448 2.854 1.00 33.13 H new ATOM 0 HG12 VAL A 594 4.495 -10.682 1.103 1.00 33.13 H new ATOM 0 HG13 VAL A 594 4.630 -12.093 2.179 1.00 33.13 H new ATOM 0 HG21 VAL A 594 6.863 -10.906 3.922 1.00 61.15 H new ATOM 0 HG22 VAL A 594 6.907 -12.571 3.296 1.00 61.15 H new ATOM 0 HG23 VAL A 594 8.259 -11.461 2.968 1.00 61.15 H new ATOM 229 N PHE A 595 7.874 -14.081 1.138 1.00 43.43 N ATOM 230 CA PHE A 595 7.885 -15.476 1.438 1.00 42.32 C ATOM 231 C PHE A 595 8.810 -15.747 2.604 1.00 34.32 C ATOM 232 O PHE A 595 9.925 -15.206 2.669 1.00 22.10 O ATOM 233 CB PHE A 595 8.275 -16.319 0.196 1.00 35.12 C ATOM 234 CG PHE A 595 9.646 -16.028 -0.380 1.00 14.34 C ATOM 235 CD1 PHE A 595 9.831 -14.999 -1.294 1.00 54.45 C ATOM 236 CD2 PHE A 595 10.746 -16.787 -0.006 1.00 4.42 C ATOM 237 CE1 PHE A 595 11.081 -14.734 -1.817 1.00 23.20 C ATOM 238 CE2 PHE A 595 11.996 -16.527 -0.527 1.00 25.32 C ATOM 239 CZ PHE A 595 12.166 -15.501 -1.434 1.00 62.50 C ATOM 0 H PHE A 595 8.796 -13.646 1.134 1.00 43.43 H new ATOM 0 HA PHE A 595 6.876 -15.777 1.721 1.00 42.32 H new ATOM 0 HB2 PHE A 595 8.229 -17.374 0.465 1.00 35.12 H new ATOM 0 HB3 PHE A 595 7.530 -16.155 -0.582 1.00 35.12 H new ATOM 0 HD1 PHE A 595 8.987 -14.399 -1.599 1.00 54.45 H new ATOM 0 HD2 PHE A 595 10.621 -17.592 0.703 1.00 4.42 H new ATOM 0 HE1 PHE A 595 11.211 -13.928 -2.525 1.00 23.20 H new ATOM 0 HE2 PHE A 595 12.842 -17.126 -0.225 1.00 25.32 H new ATOM 0 HZ PHE A 595 13.144 -15.297 -1.844 1.00 62.50 H new ATOM 249 N ASP A 596 8.349 -16.539 3.507 1.00 52.15 N ATOM 250 CA ASP A 596 9.111 -16.932 4.655 1.00 72.11 C ATOM 251 C ASP A 596 9.628 -18.319 4.443 1.00 50.44 C ATOM 252 O ASP A 596 8.849 -19.259 4.385 1.00 52.15 O ATOM 253 CB ASP A 596 8.219 -16.926 5.913 1.00 11.33 C ATOM 254 CG ASP A 596 7.872 -15.560 6.424 1.00 13.21 C ATOM 255 OD1 ASP A 596 7.028 -14.899 5.829 1.00 41.52 O ATOM 256 OD2 ASP A 596 8.448 -15.166 7.476 1.00 3.04 O ATOM 0 H ASP A 596 7.413 -16.944 3.474 1.00 52.15 H new ATOM 0 HA ASP A 596 9.935 -16.232 4.792 1.00 72.11 H new ATOM 0 HB2 ASP A 596 7.296 -17.462 5.691 1.00 11.33 H new ATOM 0 HB3 ASP A 596 8.726 -17.478 6.705 1.00 11.33 H new ATOM 261 N SER A 597 10.929 -18.455 4.344 1.00 74.31 N ATOM 262 CA SER A 597 11.549 -19.745 4.172 1.00 4.34 C ATOM 263 C SER A 597 11.406 -20.579 5.452 1.00 42.32 C ATOM 264 O SER A 597 11.057 -21.760 5.407 1.00 61.20 O ATOM 265 CB SER A 597 13.026 -19.561 3.801 1.00 65.52 C ATOM 266 OG SER A 597 13.164 -18.758 2.628 1.00 73.14 O ATOM 0 H SER A 597 11.586 -17.675 4.380 1.00 74.31 H new ATOM 0 HA SER A 597 11.050 -20.280 3.364 1.00 4.34 H new ATOM 0 HB2 SER A 597 13.557 -19.094 4.630 1.00 65.52 H new ATOM 0 HB3 SER A 597 13.487 -20.535 3.635 1.00 65.52 H new ATOM 0 HG SER A 597 14.114 -18.654 2.413 1.00 73.14 H new ATOM 272 N GLN A 598 11.615 -19.934 6.598 1.00 70.33 N ATOM 273 CA GLN A 598 11.514 -20.628 7.875 1.00 3.03 C ATOM 274 C GLN A 598 10.094 -20.972 8.293 1.00 72.41 C ATOM 275 O GLN A 598 9.865 -21.924 9.035 1.00 0.34 O ATOM 276 CB GLN A 598 12.334 -19.975 9.013 1.00 13.32 C ATOM 277 CG GLN A 598 12.259 -18.439 9.208 1.00 31.21 C ATOM 278 CD GLN A 598 10.871 -17.866 9.415 1.00 74.45 C ATOM 279 OE1 GLN A 598 10.367 -17.816 10.535 1.00 75.44 O ATOM 280 NE2 GLN A 598 10.296 -17.331 8.366 1.00 52.54 N ATOM 0 H GLN A 598 11.852 -18.944 6.667 1.00 70.33 H new ATOM 0 HA GLN A 598 11.993 -21.588 7.683 1.00 3.03 H new ATOM 0 HB2 GLN A 598 12.026 -20.441 9.949 1.00 13.32 H new ATOM 0 HB3 GLN A 598 13.381 -20.236 8.856 1.00 13.32 H new ATOM 0 HG2 GLN A 598 12.874 -18.171 10.067 1.00 31.21 H new ATOM 0 HG3 GLN A 598 12.703 -17.959 8.336 1.00 31.21 H new ATOM 0 HE21 GLN A 598 10.744 -17.392 7.452 1.00 52.54 H new ATOM 0 HE22 GLN A 598 9.400 -16.853 8.464 1.00 52.54 H new ATOM 288 N ALA A 599 9.157 -20.218 7.820 1.00 31.15 N ATOM 289 CA ALA A 599 7.767 -20.486 8.124 1.00 44.32 C ATOM 290 C ALA A 599 7.107 -21.291 7.012 1.00 43.11 C ATOM 291 O ALA A 599 6.046 -21.881 7.212 1.00 31.14 O ATOM 292 CB ALA A 599 7.011 -19.193 8.368 1.00 2.22 C ATOM 0 H ALA A 599 9.316 -19.408 7.220 1.00 31.15 H new ATOM 0 HA ALA A 599 7.734 -21.082 9.036 1.00 44.32 H new ATOM 0 HB1 ALA A 599 5.969 -19.418 8.595 1.00 2.22 H new ATOM 0 HB2 ALA A 599 7.459 -18.663 9.209 1.00 2.22 H new ATOM 0 HB3 ALA A 599 7.062 -18.568 7.476 1.00 2.22 H new ATOM 298 N GLY A 600 7.751 -21.327 5.846 1.00 4.14 N ATOM 299 CA GLY A 600 7.189 -22.008 4.692 1.00 14.43 C ATOM 300 C GLY A 600 5.874 -21.380 4.315 1.00 52.20 C ATOM 301 O GLY A 600 4.865 -22.071 4.113 1.00 51.13 O ATOM 0 H GLY A 600 8.659 -20.893 5.681 1.00 4.14 H new ATOM 0 HA2 GLY A 600 7.882 -21.952 3.853 1.00 14.43 H new ATOM 0 HA3 GLY A 600 7.046 -23.065 4.917 1.00 14.43 H new ATOM 305 N PHE A 601 5.886 -20.080 4.221 1.00 13.04 N ATOM 306 CA PHE A 601 4.682 -19.305 4.056 1.00 43.30 C ATOM 307 C PHE A 601 4.914 -18.219 3.013 1.00 31.12 C ATOM 308 O PHE A 601 5.994 -17.673 2.949 1.00 24.41 O ATOM 309 CB PHE A 601 4.389 -18.676 5.420 1.00 45.41 C ATOM 310 CG PHE A 601 3.127 -17.912 5.518 1.00 14.53 C ATOM 311 CD1 PHE A 601 1.950 -18.565 5.816 1.00 51.41 C ATOM 312 CD2 PHE A 601 3.111 -16.538 5.336 1.00 1.32 C ATOM 313 CE1 PHE A 601 0.778 -17.875 5.932 1.00 64.02 C ATOM 314 CE2 PHE A 601 1.937 -15.848 5.447 1.00 3.34 C ATOM 315 CZ PHE A 601 0.767 -16.518 5.748 1.00 21.11 C ATOM 0 H PHE A 601 6.738 -19.521 4.257 1.00 13.04 H new ATOM 0 HA PHE A 601 3.847 -19.920 3.719 1.00 43.30 H new ATOM 0 HB2 PHE A 601 4.371 -19.468 6.168 1.00 45.41 H new ATOM 0 HB3 PHE A 601 5.214 -18.013 5.678 1.00 45.41 H new ATOM 0 HD1 PHE A 601 1.955 -19.635 5.959 1.00 51.41 H new ATOM 0 HD2 PHE A 601 4.026 -16.013 5.106 1.00 1.32 H new ATOM 0 HE1 PHE A 601 -0.137 -18.397 6.168 1.00 64.02 H new ATOM 0 HE2 PHE A 601 1.924 -14.778 5.299 1.00 3.34 H new ATOM 0 HZ PHE A 601 -0.159 -15.970 5.838 1.00 21.11 H new ATOM 325 N SER A 602 3.927 -17.930 2.182 1.00 41.02 N ATOM 326 CA SER A 602 4.087 -16.878 1.199 1.00 21.03 C ATOM 327 C SER A 602 2.805 -16.049 0.984 1.00 51.05 C ATOM 328 O SER A 602 1.682 -16.579 1.059 1.00 63.14 O ATOM 329 CB SER A 602 4.621 -17.449 -0.128 1.00 61.42 C ATOM 330 OG SER A 602 3.767 -18.466 -0.641 1.00 73.14 O ATOM 0 H SER A 602 3.022 -18.401 2.169 1.00 41.02 H new ATOM 0 HA SER A 602 4.826 -16.184 1.599 1.00 21.03 H new ATOM 0 HB2 SER A 602 4.713 -16.646 -0.860 1.00 61.42 H new ATOM 0 HB3 SER A 602 5.621 -17.856 0.026 1.00 61.42 H new ATOM 0 HG SER A 602 4.133 -18.806 -1.484 1.00 73.14 H new ATOM 336 N PHE A 603 2.989 -14.759 0.737 1.00 60.15 N ATOM 337 CA PHE A 603 1.917 -13.835 0.373 1.00 2.15 C ATOM 338 C PHE A 603 2.356 -12.909 -0.729 1.00 34.44 C ATOM 339 O PHE A 603 3.519 -12.498 -0.789 1.00 20.21 O ATOM 340 CB PHE A 603 1.408 -12.957 1.536 1.00 33.53 C ATOM 341 CG PHE A 603 0.326 -13.535 2.402 1.00 24.31 C ATOM 342 CD1 PHE A 603 -0.744 -14.216 1.846 1.00 50.24 C ATOM 343 CD2 PHE A 603 0.355 -13.357 3.767 1.00 24.41 C ATOM 344 CE1 PHE A 603 -1.754 -14.714 2.640 1.00 33.30 C ATOM 345 CE2 PHE A 603 -0.657 -13.845 4.565 1.00 31.13 C ATOM 346 CZ PHE A 603 -1.710 -14.524 4.000 1.00 30.14 C ATOM 0 H PHE A 603 3.906 -14.314 0.784 1.00 60.15 H new ATOM 0 HA PHE A 603 1.100 -14.483 0.056 1.00 2.15 H new ATOM 0 HB2 PHE A 603 2.258 -12.712 2.173 1.00 33.53 H new ATOM 0 HB3 PHE A 603 1.043 -12.019 1.118 1.00 33.53 H new ATOM 0 HD1 PHE A 603 -0.787 -14.359 0.776 1.00 50.24 H new ATOM 0 HD2 PHE A 603 1.182 -12.828 4.218 1.00 24.41 H new ATOM 0 HE1 PHE A 603 -2.578 -15.252 2.195 1.00 33.30 H new ATOM 0 HE2 PHE A 603 -0.623 -13.694 5.634 1.00 31.13 H new ATOM 0 HZ PHE A 603 -2.503 -14.908 4.625 1.00 30.14 H new ATOM 356 N ASP A 604 1.467 -12.639 -1.630 1.00 34.33 N ATOM 357 CA ASP A 604 1.675 -11.616 -2.611 1.00 71.34 C ATOM 358 C ASP A 604 0.471 -10.707 -2.596 1.00 12.15 C ATOM 359 O ASP A 604 -0.662 -11.172 -2.608 1.00 61.12 O ATOM 360 CB ASP A 604 1.958 -12.173 -4.019 1.00 72.14 C ATOM 361 CG ASP A 604 0.790 -12.842 -4.688 1.00 33.21 C ATOM 362 OD1 ASP A 604 0.496 -14.010 -4.359 1.00 20.05 O ATOM 363 OD2 ASP A 604 0.183 -12.223 -5.591 1.00 72.31 O ATOM 0 H ASP A 604 0.572 -13.122 -1.709 1.00 34.33 H new ATOM 0 HA ASP A 604 2.574 -11.056 -2.352 1.00 71.34 H new ATOM 0 HB2 ASP A 604 2.301 -11.356 -4.654 1.00 72.14 H new ATOM 0 HB3 ASP A 604 2.777 -12.889 -3.951 1.00 72.14 H new ATOM 368 N LEU A 605 0.699 -9.427 -2.536 1.00 40.04 N ATOM 369 CA LEU A 605 -0.402 -8.464 -2.483 1.00 41.53 C ATOM 370 C LEU A 605 -0.544 -7.783 -3.804 1.00 72.04 C ATOM 371 O LEU A 605 -1.153 -6.729 -3.930 1.00 71.40 O ATOM 372 CB LEU A 605 -0.226 -7.453 -1.353 1.00 12.31 C ATOM 373 CG LEU A 605 -0.378 -7.971 0.089 1.00 23.32 C ATOM 374 CD1 LEU A 605 -1.720 -8.651 0.327 1.00 23.34 C ATOM 375 CD2 LEU A 605 0.770 -8.850 0.528 1.00 10.12 C ATOM 0 H LEU A 605 1.630 -9.010 -2.522 1.00 40.04 H new ATOM 0 HA LEU A 605 -1.320 -9.011 -2.268 1.00 41.53 H new ATOM 0 HB2 LEU A 605 0.765 -7.009 -1.449 1.00 12.31 H new ATOM 0 HB3 LEU A 605 -0.950 -6.652 -1.502 1.00 12.31 H new ATOM 0 HG LEU A 605 -0.349 -7.082 0.719 1.00 23.32 H new ATOM 0 HD11 LEU A 605 -1.774 -8.997 1.359 1.00 23.34 H new ATOM 0 HD12 LEU A 605 -2.526 -7.941 0.139 1.00 23.34 H new ATOM 0 HD13 LEU A 605 -1.821 -9.502 -0.347 1.00 23.34 H new ATOM 0 HD21 LEU A 605 0.603 -9.182 1.553 1.00 10.12 H new ATOM 0 HD22 LEU A 605 0.836 -9.718 -0.129 1.00 10.12 H new ATOM 0 HD23 LEU A 605 1.701 -8.285 0.477 1.00 10.12 H new ATOM 383 N THR A 606 -0.021 -8.451 -4.770 1.00 5.45 N ATOM 384 CA THR A 606 -0.038 -8.084 -6.162 1.00 41.52 C ATOM 385 C THR A 606 -1.470 -7.628 -6.651 1.00 53.01 C ATOM 386 O THR A 606 -1.582 -6.615 -7.348 1.00 23.03 O ATOM 387 CB THR A 606 0.413 -9.293 -6.987 1.00 1.43 C ATOM 388 OG1 THR A 606 1.508 -9.935 -6.315 1.00 10.32 O ATOM 389 CG2 THR A 606 0.882 -8.846 -8.343 1.00 3.32 C ATOM 0 H THR A 606 0.467 -9.332 -4.608 1.00 5.45 H new ATOM 0 HA THR A 606 0.635 -7.237 -6.295 1.00 41.52 H new ATOM 0 HB THR A 606 -0.425 -9.981 -7.099 1.00 1.43 H new ATOM 0 HG1 THR A 606 1.268 -10.863 -6.111 1.00 10.32 H new ATOM 0 HG21 THR A 606 1.201 -9.713 -8.922 1.00 3.32 H new ATOM 0 HG22 THR A 606 0.067 -8.343 -8.862 1.00 3.32 H new ATOM 0 HG23 THR A 606 1.720 -8.158 -8.230 1.00 3.32 H new ATOM 395 N PRO A 607 -2.591 -8.376 -6.310 1.00 43.31 N ATOM 396 CA PRO A 607 -3.958 -7.962 -6.692 1.00 1.34 C ATOM 397 C PRO A 607 -4.397 -6.642 -6.039 1.00 64.04 C ATOM 398 O PRO A 607 -5.333 -5.989 -6.510 1.00 63.11 O ATOM 399 CB PRO A 607 -4.845 -9.117 -6.202 1.00 74.53 C ATOM 400 CG PRO A 607 -4.035 -9.819 -5.171 1.00 63.30 C ATOM 401 CD PRO A 607 -2.613 -9.683 -5.603 1.00 64.51 C ATOM 0 HA PRO A 607 -4.024 -7.777 -7.764 1.00 1.34 H new ATOM 0 HB2 PRO A 607 -5.780 -8.745 -5.783 1.00 74.53 H new ATOM 0 HB3 PRO A 607 -5.107 -9.787 -7.021 1.00 74.53 H new ATOM 0 HG2 PRO A 607 -4.188 -9.376 -4.187 1.00 63.30 H new ATOM 0 HG3 PRO A 607 -4.322 -10.868 -5.097 1.00 63.30 H new ATOM 0 HD2 PRO A 607 -1.932 -9.691 -4.752 1.00 64.51 H new ATOM 0 HD3 PRO A 607 -2.313 -10.500 -6.259 1.00 64.51 H new ATOM 409 N LEU A 608 -3.716 -6.239 -4.972 1.00 50.21 N ATOM 410 CA LEU A 608 -4.041 -5.013 -4.285 1.00 43.01 C ATOM 411 C LEU A 608 -3.375 -3.829 -4.966 1.00 43.21 C ATOM 412 O LEU A 608 -3.712 -2.696 -4.700 1.00 51.14 O ATOM 413 CB LEU A 608 -3.627 -5.043 -2.793 1.00 65.11 C ATOM 414 CG LEU A 608 -4.383 -5.973 -1.817 1.00 33.35 C ATOM 415 CD1 LEU A 608 -4.148 -7.428 -2.111 1.00 22.21 C ATOM 416 CD2 LEU A 608 -4.007 -5.651 -0.384 1.00 0.13 C ATOM 0 H LEU A 608 -2.933 -6.753 -4.569 1.00 50.21 H new ATOM 0 HA LEU A 608 -5.125 -4.908 -4.330 1.00 43.01 H new ATOM 0 HB2 LEU A 608 -2.572 -5.313 -2.751 1.00 65.11 H new ATOM 0 HB3 LEU A 608 -3.712 -4.026 -2.409 1.00 65.11 H new ATOM 0 HG LEU A 608 -5.448 -5.789 -1.958 1.00 33.35 H new ATOM 0 HD11 LEU A 608 -4.702 -8.038 -1.397 1.00 22.21 H new ATOM 0 HD12 LEU A 608 -4.488 -7.655 -3.122 1.00 22.21 H new ATOM 0 HD13 LEU A 608 -3.084 -7.649 -2.028 1.00 22.21 H new ATOM 0 HD21 LEU A 608 -4.547 -6.314 0.292 1.00 0.13 H new ATOM 0 HD22 LEU A 608 -2.934 -5.791 -0.249 1.00 0.13 H new ATOM 0 HD23 LEU A 608 -4.269 -4.616 -0.163 1.00 0.13 H new ATOM 424 N THR A 609 -2.434 -4.103 -5.823 1.00 1.03 N ATOM 425 CA THR A 609 -1.728 -3.073 -6.531 1.00 41.33 C ATOM 426 C THR A 609 -2.592 -2.495 -7.666 1.00 65.33 C ATOM 427 O THR A 609 -3.081 -3.232 -8.538 1.00 64.25 O ATOM 428 CB THR A 609 -0.412 -3.633 -7.072 1.00 44.33 C ATOM 429 OG1 THR A 609 0.343 -4.150 -5.967 1.00 70.43 O ATOM 430 CG2 THR A 609 0.389 -2.556 -7.772 1.00 10.12 C ATOM 0 H THR A 609 -2.133 -5.050 -6.052 1.00 1.03 H new ATOM 0 HA THR A 609 -1.506 -2.258 -5.842 1.00 41.33 H new ATOM 0 HB THR A 609 -0.625 -4.419 -7.797 1.00 44.33 H new ATOM 0 HG1 THR A 609 1.177 -4.545 -6.297 1.00 70.43 H new ATOM 0 HG21 THR A 609 1.320 -2.981 -8.147 1.00 10.12 H new ATOM 0 HG22 THR A 609 -0.189 -2.156 -8.605 1.00 10.12 H new ATOM 0 HG23 THR A 609 0.614 -1.754 -7.068 1.00 10.12 H new ATOM 436 N LYS A 610 -2.764 -1.189 -7.654 1.00 61.02 N ATOM 437 CA LYS A 610 -3.603 -0.501 -8.619 1.00 71.34 C ATOM 438 C LYS A 610 -2.770 0.425 -9.465 1.00 35.23 C ATOM 439 O LYS A 610 -1.818 1.013 -8.978 1.00 30.23 O ATOM 440 CB LYS A 610 -4.611 0.390 -7.909 1.00 31.44 C ATOM 441 CG LYS A 610 -5.575 -0.278 -6.964 1.00 4.50 C ATOM 442 CD LYS A 610 -6.475 0.775 -6.309 1.00 70.12 C ATOM 443 CE LYS A 610 -7.407 1.440 -7.282 1.00 43.03 C ATOM 444 NZ LYS A 610 -8.107 2.593 -6.664 1.00 0.01 N ATOM 0 H LYS A 610 -2.325 -0.570 -6.972 1.00 61.02 H new ATOM 0 HA LYS A 610 -4.096 -1.266 -9.218 1.00 71.34 H new ATOM 0 HB2 LYS A 610 -4.059 1.146 -7.350 1.00 31.44 H new ATOM 0 HB3 LYS A 610 -5.191 0.915 -8.668 1.00 31.44 H new ATOM 0 HG2 LYS A 610 -6.183 -1.004 -7.504 1.00 4.50 H new ATOM 0 HG3 LYS A 610 -5.026 -0.827 -6.199 1.00 4.50 H new ATOM 0 HD2 LYS A 610 -7.060 0.304 -5.519 1.00 70.12 H new ATOM 0 HD3 LYS A 610 -5.852 1.534 -5.835 1.00 70.12 H new ATOM 0 HE2 LYS A 610 -6.845 1.778 -8.152 1.00 43.03 H new ATOM 0 HE3 LYS A 610 -8.140 0.716 -7.638 1.00 43.03 H new ATOM 0 HZ1 LYS A 610 -8.742 3.029 -7.363 1.00 0.01 H new ATOM 0 HZ2 LYS A 610 -8.663 2.265 -5.848 1.00 0.01 H new ATOM 0 HZ3 LYS A 610 -7.408 3.294 -6.347 1.00 0.01 H new ATOM 458 N LYS A 611 -3.141 0.582 -10.713 1.00 65.40 N ATOM 459 CA LYS A 611 -2.496 1.571 -11.563 1.00 22.22 C ATOM 460 C LYS A 611 -3.001 2.973 -11.197 1.00 62.12 C ATOM 461 O LYS A 611 -2.377 3.978 -11.506 1.00 32.31 O ATOM 462 CB LYS A 611 -2.757 1.300 -13.047 1.00 20.02 C ATOM 463 CG LYS A 611 -4.232 1.325 -13.445 1.00 53.12 C ATOM 464 CD LYS A 611 -4.413 1.183 -14.945 1.00 51.43 C ATOM 465 CE LYS A 611 -3.809 2.363 -15.696 1.00 35.02 C ATOM 466 NZ LYS A 611 -3.974 2.238 -17.158 1.00 0.34 N ATOM 0 H LYS A 611 -3.880 0.045 -11.166 1.00 65.40 H new ATOM 0 HA LYS A 611 -1.421 1.506 -11.396 1.00 22.22 H new ATOM 0 HB2 LYS A 611 -2.221 2.042 -13.639 1.00 20.02 H new ATOM 0 HB3 LYS A 611 -2.341 0.326 -13.304 1.00 20.02 H new ATOM 0 HG2 LYS A 611 -4.759 0.517 -12.937 1.00 53.12 H new ATOM 0 HG3 LYS A 611 -4.683 2.260 -13.111 1.00 53.12 H new ATOM 0 HD2 LYS A 611 -3.946 0.258 -15.283 1.00 51.43 H new ATOM 0 HD3 LYS A 611 -5.475 1.107 -15.179 1.00 51.43 H new ATOM 0 HE2 LYS A 611 -4.279 3.286 -15.357 1.00 35.02 H new ATOM 0 HE3 LYS A 611 -2.748 2.439 -15.457 1.00 35.02 H new ATOM 0 HZ1 LYS A 611 -3.548 3.063 -17.627 1.00 0.34 H new ATOM 0 HZ2 LYS A 611 -3.504 1.371 -17.488 1.00 0.34 H new ATOM 0 HZ3 LYS A 611 -4.987 2.192 -17.390 1.00 0.34 H new ATOM 480 N ASP A 612 -4.162 3.012 -10.560 1.00 13.52 N ATOM 481 CA ASP A 612 -4.802 4.261 -10.141 1.00 30.34 C ATOM 482 C ASP A 612 -4.394 4.646 -8.721 1.00 63.00 C ATOM 483 O ASP A 612 -4.480 5.815 -8.333 1.00 73.25 O ATOM 484 CB ASP A 612 -6.327 4.109 -10.246 1.00 32.31 C ATOM 485 CG ASP A 612 -7.105 5.311 -9.764 1.00 65.42 C ATOM 486 OD1 ASP A 612 -7.193 6.315 -10.502 1.00 40.15 O ATOM 487 OD2 ASP A 612 -7.660 5.254 -8.647 1.00 12.53 O ATOM 0 H ASP A 612 -4.693 2.176 -10.316 1.00 13.52 H new ATOM 0 HA ASP A 612 -4.471 5.063 -10.801 1.00 30.34 H new ATOM 0 HB2 ASP A 612 -6.590 3.913 -11.285 1.00 32.31 H new ATOM 0 HB3 ASP A 612 -6.634 3.237 -9.669 1.00 32.31 H new ATOM 492 N ALA A 613 -3.915 3.647 -7.971 1.00 20.22 N ATOM 493 CA ALA A 613 -3.506 3.784 -6.566 1.00 54.12 C ATOM 494 C ALA A 613 -4.705 4.021 -5.624 1.00 52.12 C ATOM 495 O ALA A 613 -5.857 4.127 -6.059 1.00 11.15 O ATOM 496 CB ALA A 613 -2.422 4.854 -6.382 1.00 30.54 C ATOM 0 H ALA A 613 -3.798 2.700 -8.331 1.00 20.22 H new ATOM 0 HA ALA A 613 -3.066 2.828 -6.281 1.00 54.12 H new ATOM 0 HB1 ALA A 613 -2.151 4.920 -5.328 1.00 30.54 H new ATOM 0 HB2 ALA A 613 -1.542 4.585 -6.967 1.00 30.54 H new ATOM 0 HB3 ALA A 613 -2.801 5.818 -6.720 1.00 30.54 H new ATOM 502 N TYR A 614 -4.422 4.036 -4.354 1.00 53.53 N ATOM 503 CA TYR A 614 -5.420 4.259 -3.301 1.00 3.31 C ATOM 504 C TYR A 614 -5.304 5.649 -2.744 1.00 11.40 C ATOM 505 O TYR A 614 -4.216 6.222 -2.733 1.00 23.20 O ATOM 506 CB TYR A 614 -5.249 3.243 -2.174 1.00 25.41 C ATOM 507 CG TYR A 614 -5.517 1.845 -2.612 1.00 60.32 C ATOM 508 CD1 TYR A 614 -4.531 1.092 -3.213 1.00 11.24 C ATOM 509 CD2 TYR A 614 -6.775 1.282 -2.456 1.00 25.05 C ATOM 510 CE1 TYR A 614 -4.780 -0.167 -3.639 1.00 25.42 C ATOM 511 CE2 TYR A 614 -7.034 0.003 -2.890 1.00 21.11 C ATOM 512 CZ TYR A 614 -6.032 -0.717 -3.478 1.00 31.34 C ATOM 513 OH TYR A 614 -6.279 -1.985 -3.932 1.00 3.24 O ATOM 0 H TYR A 614 -3.478 3.893 -3.995 1.00 53.53 H new ATOM 0 HA TYR A 614 -6.407 4.136 -3.746 1.00 3.31 H new ATOM 0 HB2 TYR A 614 -4.234 3.308 -1.783 1.00 25.41 H new ATOM 0 HB3 TYR A 614 -5.922 3.498 -1.356 1.00 25.41 H new ATOM 0 HD1 TYR A 614 -3.546 1.514 -3.346 1.00 11.24 H new ATOM 0 HD2 TYR A 614 -7.561 1.855 -1.988 1.00 25.05 H new ATOM 0 HE1 TYR A 614 -3.995 -0.743 -4.107 1.00 25.42 H new ATOM 0 HE2 TYR A 614 -8.017 -0.427 -2.768 1.00 21.11 H new ATOM 0 HH TYR A 614 -5.444 -2.387 -4.250 1.00 3.24 H new ATOM 523 N LYS A 615 -6.411 6.195 -2.286 1.00 61.21 N ATOM 524 CA LYS A 615 -6.423 7.527 -1.750 1.00 74.34 C ATOM 525 C LYS A 615 -6.949 7.587 -0.322 1.00 11.44 C ATOM 526 O LYS A 615 -7.992 7.065 -0.018 1.00 33.40 O ATOM 527 CB LYS A 615 -7.143 8.498 -2.711 1.00 30.02 C ATOM 528 CG LYS A 615 -8.558 8.098 -3.141 1.00 10.01 C ATOM 529 CD LYS A 615 -9.637 8.354 -2.102 1.00 34.31 C ATOM 530 CE LYS A 615 -9.772 9.817 -1.761 1.00 41.21 C ATOM 531 NZ LYS A 615 -10.864 10.026 -0.809 1.00 12.14 N ATOM 0 H LYS A 615 -7.317 5.727 -2.277 1.00 61.21 H new ATOM 0 HA LYS A 615 -5.388 7.861 -1.675 1.00 74.34 H new ATOM 0 HB2 LYS A 615 -7.193 9.477 -2.235 1.00 30.02 H new ATOM 0 HB3 LYS A 615 -6.532 8.610 -3.606 1.00 30.02 H new ATOM 0 HG2 LYS A 615 -8.813 8.642 -4.051 1.00 10.01 H new ATOM 0 HG3 LYS A 615 -8.560 7.037 -3.392 1.00 10.01 H new ATOM 0 HD2 LYS A 615 -10.591 7.981 -2.474 1.00 34.31 H new ATOM 0 HD3 LYS A 615 -9.406 7.793 -1.197 1.00 34.31 H new ATOM 0 HE2 LYS A 615 -8.838 10.185 -1.337 1.00 41.21 H new ATOM 0 HE3 LYS A 615 -9.958 10.392 -2.668 1.00 41.21 H new ATOM 0 HZ1 LYS A 615 -11.099 11.038 -0.767 1.00 12.14 H new ATOM 0 HZ2 LYS A 615 -11.700 9.489 -1.117 1.00 12.14 H new ATOM 0 HZ3 LYS A 615 -10.570 9.699 0.134 1.00 12.14 H new ATOM 545 N VAL A 616 -6.195 8.195 0.535 1.00 2.30 N ATOM 546 CA VAL A 616 -6.580 8.387 1.917 1.00 54.32 C ATOM 547 C VAL A 616 -6.689 9.875 2.122 1.00 3.11 C ATOM 548 O VAL A 616 -5.789 10.595 1.750 1.00 24.43 O ATOM 549 CB VAL A 616 -5.480 7.856 2.879 1.00 11.32 C ATOM 550 CG1 VAL A 616 -5.932 7.908 4.329 1.00 40.32 C ATOM 551 CG2 VAL A 616 -5.019 6.461 2.489 1.00 43.22 C ATOM 0 H VAL A 616 -5.280 8.582 0.303 1.00 2.30 H new ATOM 0 HA VAL A 616 -7.510 7.857 2.123 1.00 54.32 H new ATOM 0 HB VAL A 616 -4.621 8.520 2.782 1.00 11.32 H new ATOM 0 HG11 VAL A 616 -5.137 7.529 4.972 1.00 40.32 H new ATOM 0 HG12 VAL A 616 -6.160 8.938 4.602 1.00 40.32 H new ATOM 0 HG13 VAL A 616 -6.824 7.294 4.454 1.00 40.32 H new ATOM 0 HG21 VAL A 616 -4.250 6.124 3.184 1.00 43.22 H new ATOM 0 HG22 VAL A 616 -5.865 5.775 2.524 1.00 43.22 H new ATOM 0 HG23 VAL A 616 -4.610 6.482 1.479 1.00 43.22 H new ATOM 557 N GLU A 617 -7.756 10.356 2.673 1.00 64.22 N ATOM 558 CA GLU A 617 -7.852 11.781 2.866 1.00 70.21 C ATOM 559 C GLU A 617 -8.124 12.144 4.303 1.00 22.34 C ATOM 560 O GLU A 617 -8.874 11.460 5.012 1.00 62.53 O ATOM 561 CB GLU A 617 -8.875 12.451 1.936 1.00 63.04 C ATOM 562 CG GLU A 617 -10.305 12.006 2.141 1.00 72.33 C ATOM 563 CD GLU A 617 -11.274 12.790 1.305 1.00 20.12 C ATOM 564 OE1 GLU A 617 -11.700 13.877 1.739 1.00 70.54 O ATOM 565 OE2 GLU A 617 -11.638 12.328 0.208 1.00 22.53 O ATOM 0 H GLU A 617 -8.556 9.809 2.992 1.00 64.22 H new ATOM 0 HA GLU A 617 -6.871 12.173 2.596 1.00 70.21 H new ATOM 0 HB2 GLU A 617 -8.821 13.530 2.078 1.00 63.04 H new ATOM 0 HB3 GLU A 617 -8.592 12.251 0.903 1.00 63.04 H new ATOM 0 HG2 GLU A 617 -10.392 10.947 1.896 1.00 72.33 H new ATOM 0 HG3 GLU A 617 -10.568 12.112 3.193 1.00 72.33 H new ATOM 572 N THR A 618 -7.494 13.192 4.719 1.00 64.33 N ATOM 573 CA THR A 618 -7.674 13.765 6.013 1.00 73.10 C ATOM 574 C THR A 618 -7.939 15.238 5.797 1.00 12.54 C ATOM 575 O THR A 618 -8.017 15.682 4.640 1.00 12.12 O ATOM 576 CB THR A 618 -6.402 13.585 6.894 1.00 30.34 C ATOM 577 OG1 THR A 618 -5.254 14.148 6.228 1.00 74.53 O ATOM 578 CG2 THR A 618 -6.143 12.113 7.200 1.00 42.44 C ATOM 0 H THR A 618 -6.814 13.692 4.146 1.00 64.33 H new ATOM 0 HA THR A 618 -8.497 13.275 6.533 1.00 73.10 H new ATOM 0 HB THR A 618 -6.572 14.107 7.835 1.00 30.34 H new ATOM 0 HG1 THR A 618 -5.245 13.859 5.292 1.00 74.53 H new ATOM 0 HG21 THR A 618 -5.249 12.021 7.816 1.00 42.44 H new ATOM 0 HG22 THR A 618 -6.997 11.697 7.735 1.00 42.44 H new ATOM 0 HG23 THR A 618 -5.998 11.567 6.267 1.00 42.44 H new ATOM 584 N ASP A 619 -8.090 15.997 6.859 1.00 42.22 N ATOM 585 CA ASP A 619 -8.250 17.442 6.724 1.00 31.35 C ATOM 586 C ASP A 619 -6.940 18.036 6.269 1.00 12.43 C ATOM 587 O ASP A 619 -6.905 19.036 5.555 1.00 53.32 O ATOM 588 CB ASP A 619 -8.634 18.112 8.055 1.00 2.31 C ATOM 589 CG ASP A 619 -9.961 17.684 8.611 1.00 10.03 C ATOM 590 OD1 ASP A 619 -11.010 18.251 8.204 1.00 14.32 O ATOM 591 OD2 ASP A 619 -9.987 16.801 9.491 1.00 15.44 O ATOM 0 H ASP A 619 -8.106 15.651 7.818 1.00 42.22 H new ATOM 0 HA ASP A 619 -9.049 17.618 6.004 1.00 31.35 H new ATOM 0 HB2 ASP A 619 -7.860 17.897 8.792 1.00 2.31 H new ATOM 0 HB3 ASP A 619 -8.646 19.193 7.912 1.00 2.31 H new ATOM 596 N LYS A 620 -5.869 17.376 6.658 1.00 63.01 N ATOM 597 CA LYS A 620 -4.523 17.845 6.423 1.00 13.53 C ATOM 598 C LYS A 620 -4.038 17.479 5.029 1.00 0.01 C ATOM 599 O LYS A 620 -3.803 18.357 4.188 1.00 54.12 O ATOM 600 CB LYS A 620 -3.580 17.227 7.462 1.00 32.02 C ATOM 601 CG LYS A 620 -3.924 17.554 8.909 1.00 2.32 C ATOM 602 CD LYS A 620 -3.004 16.824 9.897 1.00 45.41 C ATOM 603 CE LYS A 620 -3.141 15.305 9.777 1.00 24.01 C ATOM 604 NZ LYS A 620 -2.326 14.573 10.778 1.00 41.44 N ATOM 0 H LYS A 620 -5.912 16.486 7.154 1.00 63.01 H new ATOM 0 HA LYS A 620 -4.526 18.932 6.509 1.00 13.53 H new ATOM 0 HB2 LYS A 620 -3.584 16.144 7.338 1.00 32.02 H new ATOM 0 HB3 LYS A 620 -2.565 17.567 7.259 1.00 32.02 H new ATOM 0 HG2 LYS A 620 -3.845 18.630 9.066 1.00 2.32 H new ATOM 0 HG3 LYS A 620 -4.960 17.279 9.107 1.00 2.32 H new ATOM 0 HD2 LYS A 620 -1.969 17.112 9.712 1.00 45.41 H new ATOM 0 HD3 LYS A 620 -3.244 17.132 10.915 1.00 45.41 H new ATOM 0 HE2 LYS A 620 -4.189 15.029 9.896 1.00 24.01 H new ATOM 0 HE3 LYS A 620 -2.842 14.996 8.776 1.00 24.01 H new ATOM 0 HZ1 LYS A 620 -2.509 13.553 10.695 1.00 41.44 H new ATOM 0 HZ2 LYS A 620 -1.317 14.759 10.607 1.00 41.44 H new ATOM 0 HZ3 LYS A 620 -2.580 14.894 11.734 1.00 41.44 H new ATOM 618 N TYR A 621 -3.908 16.194 4.772 1.00 52.11 N ATOM 619 CA TYR A 621 -3.330 15.740 3.523 1.00 45.23 C ATOM 620 C TYR A 621 -4.200 14.689 2.888 1.00 61.04 C ATOM 621 O TYR A 621 -5.092 14.115 3.536 1.00 34.03 O ATOM 622 CB TYR A 621 -1.968 15.067 3.776 1.00 54.42 C ATOM 623 CG TYR A 621 -0.982 15.835 4.619 1.00 3.10 C ATOM 624 CD1 TYR A 621 -0.220 16.854 4.086 1.00 15.40 C ATOM 625 CD2 TYR A 621 -0.811 15.520 5.960 1.00 74.22 C ATOM 626 CE1 TYR A 621 0.687 17.542 4.863 1.00 60.15 C ATOM 627 CE2 TYR A 621 0.093 16.198 6.741 1.00 60.45 C ATOM 628 CZ TYR A 621 0.839 17.209 6.189 1.00 1.44 C ATOM 629 OH TYR A 621 1.746 17.890 6.969 1.00 54.14 O ATOM 0 H TYR A 621 -4.193 15.448 5.407 1.00 52.11 H new ATOM 0 HA TYR A 621 -3.231 16.615 2.880 1.00 45.23 H new ATOM 0 HB2 TYR A 621 -2.147 14.104 4.254 1.00 54.42 H new ATOM 0 HB3 TYR A 621 -1.505 14.862 2.811 1.00 54.42 H new ATOM 0 HD1 TYR A 621 -0.336 17.116 3.045 1.00 15.40 H new ATOM 0 HD2 TYR A 621 -1.400 14.727 6.397 1.00 74.22 H new ATOM 0 HE1 TYR A 621 1.276 18.339 4.433 1.00 60.15 H new ATOM 0 HE2 TYR A 621 0.216 15.937 7.782 1.00 60.45 H new ATOM 0 HH TYR A 621 1.728 17.531 7.881 1.00 54.14 H new ATOM 639 N GLU A 622 -3.953 14.449 1.643 1.00 12.54 N ATOM 640 CA GLU A 622 -4.494 13.325 0.974 1.00 11.53 C ATOM 641 C GLU A 622 -3.320 12.457 0.562 1.00 63.00 C ATOM 642 O GLU A 622 -2.347 12.944 -0.015 1.00 43.14 O ATOM 643 CB GLU A 622 -5.380 13.705 -0.229 1.00 64.32 C ATOM 644 CG GLU A 622 -4.709 14.550 -1.292 1.00 13.30 C ATOM 645 CD GLU A 622 -5.588 14.746 -2.494 1.00 0.24 C ATOM 646 OE1 GLU A 622 -6.422 15.674 -2.501 1.00 3.41 O ATOM 647 OE2 GLU A 622 -5.465 13.953 -3.465 1.00 44.43 O ATOM 0 H GLU A 622 -3.361 15.039 1.059 1.00 12.54 H new ATOM 0 HA GLU A 622 -5.165 12.785 1.642 1.00 11.53 H new ATOM 0 HB2 GLU A 622 -5.744 12.789 -0.694 1.00 64.32 H new ATOM 0 HB3 GLU A 622 -6.253 14.243 0.141 1.00 64.32 H new ATOM 0 HG2 GLU A 622 -4.448 15.521 -0.872 1.00 13.30 H new ATOM 0 HG3 GLU A 622 -3.777 14.075 -1.598 1.00 13.30 H new ATOM 654 N PHE A 623 -3.396 11.214 0.869 1.00 43.04 N ATOM 655 CA PHE A 623 -2.310 10.308 0.636 1.00 30.31 C ATOM 656 C PHE A 623 -2.680 9.380 -0.470 1.00 11.43 C ATOM 657 O PHE A 623 -3.828 8.959 -0.573 1.00 20.11 O ATOM 658 CB PHE A 623 -2.027 9.482 1.900 1.00 21.42 C ATOM 659 CG PHE A 623 -1.764 10.297 3.141 1.00 22.11 C ATOM 660 CD1 PHE A 623 -2.815 10.748 3.929 1.00 5.33 C ATOM 661 CD2 PHE A 623 -0.473 10.603 3.521 1.00 61.53 C ATOM 662 CE1 PHE A 623 -2.578 11.486 5.064 1.00 2.10 C ATOM 663 CE2 PHE A 623 -0.231 11.342 4.657 1.00 33.24 C ATOM 664 CZ PHE A 623 -1.284 11.785 5.430 1.00 12.24 C ATOM 0 H PHE A 623 -4.218 10.784 1.294 1.00 43.04 H new ATOM 0 HA PHE A 623 -1.420 10.880 0.373 1.00 30.31 H new ATOM 0 HB2 PHE A 623 -2.877 8.826 2.086 1.00 21.42 H new ATOM 0 HB3 PHE A 623 -1.165 8.841 1.713 1.00 21.42 H new ATOM 0 HD1 PHE A 623 -3.831 10.516 3.646 1.00 5.33 H new ATOM 0 HD2 PHE A 623 0.356 10.259 2.921 1.00 61.53 H new ATOM 0 HE1 PHE A 623 -3.405 11.831 5.668 1.00 2.10 H new ATOM 0 HE2 PHE A 623 0.784 11.575 4.943 1.00 33.24 H new ATOM 0 HZ PHE A 623 -1.094 12.365 6.321 1.00 12.24 H new ATOM 674 N HIS A 624 -1.751 9.091 -1.314 1.00 63.11 N ATOM 675 CA HIS A 624 -1.974 8.147 -2.360 1.00 45.32 C ATOM 676 C HIS A 624 -0.972 7.043 -2.217 1.00 2.23 C ATOM 677 O HIS A 624 0.239 7.291 -2.226 1.00 41.13 O ATOM 678 CB HIS A 624 -1.941 8.805 -3.746 1.00 60.41 C ATOM 679 CG HIS A 624 -3.047 9.820 -3.949 1.00 0.34 C ATOM 680 ND1 HIS A 624 -4.213 9.541 -4.621 1.00 62.42 N ATOM 681 CD2 HIS A 624 -3.154 11.117 -3.551 1.00 73.21 C ATOM 682 CE1 HIS A 624 -4.989 10.606 -4.624 1.00 64.14 C ATOM 683 NE2 HIS A 624 -4.368 11.573 -3.984 1.00 53.43 N ATOM 0 H HIS A 624 -0.817 9.500 -1.301 1.00 63.11 H new ATOM 0 HA HIS A 624 -2.977 7.729 -2.272 1.00 45.32 H new ATOM 0 HB2 HIS A 624 -0.977 9.294 -3.886 1.00 60.41 H new ATOM 0 HB3 HIS A 624 -2.021 8.032 -4.510 1.00 60.41 H new ATOM 0 HD2 HIS A 624 -2.418 11.680 -2.997 1.00 73.21 H new ATOM 0 HE1 HIS A 624 -5.968 10.673 -5.075 1.00 64.14 H new ATOM 0 HE2 HIS A 624 -4.734 12.513 -3.835 1.00 53.43 H new ATOM 692 N ILE A 625 -1.474 5.841 -2.037 1.00 0.31 N ATOM 693 CA ILE A 625 -0.645 4.684 -1.736 1.00 1.13 C ATOM 694 C ILE A 625 -0.912 3.581 -2.742 1.00 3.11 C ATOM 695 O ILE A 625 -2.006 3.487 -3.299 1.00 75.20 O ATOM 696 CB ILE A 625 -0.982 4.141 -0.315 1.00 43.24 C ATOM 697 CG1 ILE A 625 -0.891 5.261 0.713 1.00 51.12 C ATOM 698 CG2 ILE A 625 -0.049 2.988 0.081 1.00 35.00 C ATOM 699 CD1 ILE A 625 -1.231 4.821 2.104 1.00 70.33 C ATOM 0 H ILE A 625 -2.471 5.633 -2.094 1.00 0.31 H new ATOM 0 HA ILE A 625 0.401 4.989 -1.781 1.00 1.13 H new ATOM 0 HB ILE A 625 -2.002 3.757 -0.339 1.00 43.24 H new ATOM 0 HG12 ILE A 625 0.120 5.669 0.706 1.00 51.12 H new ATOM 0 HG13 ILE A 625 -1.563 6.068 0.421 1.00 51.12 H new ATOM 0 HG21 ILE A 625 -0.312 2.633 1.078 1.00 35.00 H new ATOM 0 HG22 ILE A 625 -0.155 2.172 -0.634 1.00 35.00 H new ATOM 0 HG23 ILE A 625 0.983 3.339 0.081 1.00 35.00 H new ATOM 0 HD11 ILE A 625 -1.146 5.668 2.785 1.00 70.33 H new ATOM 0 HD12 ILE A 625 -2.252 4.439 2.126 1.00 70.33 H new ATOM 0 HD13 ILE A 625 -0.543 4.035 2.415 1.00 70.33 H new ATOM 706 N ASN A 626 0.072 2.774 -2.976 1.00 61.03 N ATOM 707 CA ASN A 626 -0.026 1.652 -3.852 1.00 31.12 C ATOM 708 C ASN A 626 0.824 0.581 -3.225 1.00 54.20 C ATOM 709 O ASN A 626 1.673 0.905 -2.428 1.00 43.54 O ATOM 710 CB ASN A 626 0.430 2.033 -5.262 1.00 55.42 C ATOM 711 CG ASN A 626 0.078 1.014 -6.306 1.00 44.40 C ATOM 712 OD1 ASN A 626 -0.855 0.217 -6.132 1.00 51.34 O ATOM 713 ND2 ASN A 626 0.741 1.089 -7.420 1.00 62.41 N ATOM 0 H ASN A 626 0.993 2.881 -2.550 1.00 61.03 H new ATOM 0 HA ASN A 626 -1.049 1.297 -3.972 1.00 31.12 H new ATOM 0 HB2 ASN A 626 -0.019 2.988 -5.534 1.00 55.42 H new ATOM 0 HB3 ASN A 626 1.510 2.178 -5.258 1.00 55.42 H new ATOM 0 HD21 ASN A 626 0.501 0.475 -8.199 1.00 62.41 H new ATOM 0 HD22 ASN A 626 1.502 1.762 -7.516 1.00 62.41 H new ATOM 719 N VAL A 627 0.539 -0.664 -3.480 1.00 53.24 N ATOM 720 CA VAL A 627 1.260 -1.751 -2.810 1.00 74.02 C ATOM 721 C VAL A 627 2.690 -1.921 -3.335 1.00 55.32 C ATOM 722 O VAL A 627 3.644 -2.052 -2.588 1.00 31.24 O ATOM 723 CB VAL A 627 0.468 -3.066 -2.873 1.00 24.43 C ATOM 724 CG1 VAL A 627 1.212 -4.194 -2.166 1.00 63.41 C ATOM 725 CG2 VAL A 627 -0.896 -2.853 -2.245 1.00 30.42 C ATOM 0 H VAL A 627 -0.178 -0.968 -4.138 1.00 53.24 H new ATOM 0 HA VAL A 627 1.353 -1.469 -1.761 1.00 74.02 H new ATOM 0 HB VAL A 627 0.350 -3.358 -3.917 1.00 24.43 H new ATOM 0 HG11 VAL A 627 0.626 -5.111 -2.228 1.00 63.41 H new ATOM 0 HG12 VAL A 627 2.179 -4.348 -2.645 1.00 63.41 H new ATOM 0 HG13 VAL A 627 1.363 -3.930 -1.119 1.00 63.41 H new ATOM 0 HG21 VAL A 627 -1.464 -3.782 -2.286 1.00 30.42 H new ATOM 0 HG22 VAL A 627 -0.774 -2.547 -1.206 1.00 30.42 H new ATOM 0 HG23 VAL A 627 -1.431 -2.076 -2.791 1.00 30.42 H new ATOM 731 N CYS A 628 2.825 -1.898 -4.577 1.00 71.45 N ATOM 732 CA CYS A 628 4.104 -1.994 -5.202 1.00 0.32 C ATOM 733 C CYS A 628 4.116 -1.145 -6.447 1.00 2.30 C ATOM 734 O CYS A 628 3.114 -1.061 -7.164 1.00 65.15 O ATOM 735 CB CYS A 628 4.465 -3.470 -5.499 1.00 43.23 C ATOM 736 SG CYS A 628 3.245 -4.388 -6.520 1.00 64.55 S ATOM 0 H CYS A 628 2.046 -1.810 -5.230 1.00 71.45 H new ATOM 0 HA CYS A 628 4.870 -1.617 -4.524 1.00 0.32 H new ATOM 0 HB2 CYS A 628 5.430 -3.496 -6.005 1.00 43.23 H new ATOM 0 HB3 CYS A 628 4.588 -3.994 -4.551 1.00 43.23 H new ATOM 741 N GLY A 629 5.222 -0.523 -6.710 1.00 3.01 N ATOM 742 CA GLY A 629 5.318 0.325 -7.858 1.00 53.00 C ATOM 743 C GLY A 629 5.048 1.756 -7.483 1.00 33.43 C ATOM 744 O GLY A 629 5.192 2.125 -6.316 1.00 44.11 O ATOM 0 H GLY A 629 6.070 -0.585 -6.147 1.00 3.01 H new ATOM 0 HA2 GLY A 629 6.312 0.240 -8.298 1.00 53.00 H new ATOM 0 HA3 GLY A 629 4.605 0.001 -8.616 1.00 53.00 H new ATOM 748 N PRO A 630 4.694 2.602 -8.434 1.00 21.52 N ATOM 749 CA PRO A 630 4.394 3.980 -8.166 1.00 63.34 C ATOM 750 C PRO A 630 2.909 4.221 -7.924 1.00 52.50 C ATOM 751 O PRO A 630 2.065 3.354 -8.176 1.00 24.14 O ATOM 752 CB PRO A 630 4.846 4.692 -9.452 1.00 31.04 C ATOM 753 CG PRO A 630 4.990 3.612 -10.500 1.00 53.42 C ATOM 754 CD PRO A 630 4.584 2.306 -9.859 1.00 14.54 C ATOM 0 HA PRO A 630 4.888 4.335 -7.261 1.00 63.34 H new ATOM 0 HB2 PRO A 630 4.116 5.440 -9.761 1.00 31.04 H new ATOM 0 HB3 PRO A 630 5.791 5.214 -9.297 1.00 31.04 H new ATOM 0 HG2 PRO A 630 4.361 3.828 -11.363 1.00 53.42 H new ATOM 0 HG3 PRO A 630 6.018 3.560 -10.860 1.00 53.42 H new ATOM 0 HD2 PRO A 630 3.570 2.017 -10.136 1.00 14.54 H new ATOM 0 HD3 PRO A 630 5.241 1.488 -10.155 1.00 14.54 H new ATOM 762 N VAL A 631 2.602 5.388 -7.456 1.00 3.42 N ATOM 763 CA VAL A 631 1.240 5.799 -7.267 1.00 13.34 C ATOM 764 C VAL A 631 0.900 6.808 -8.306 1.00 4.32 C ATOM 765 O VAL A 631 1.733 7.651 -8.672 1.00 64.41 O ATOM 766 CB VAL A 631 0.981 6.434 -5.862 1.00 31.13 C ATOM 767 CG1 VAL A 631 1.180 5.432 -4.788 1.00 23.24 C ATOM 768 CG2 VAL A 631 1.869 7.654 -5.602 1.00 34.12 C ATOM 0 H VAL A 631 3.292 6.091 -7.191 1.00 3.42 H new ATOM 0 HA VAL A 631 0.619 4.906 -7.344 1.00 13.34 H new ATOM 0 HB VAL A 631 -0.056 6.770 -5.857 1.00 31.13 H new ATOM 0 HG11 VAL A 631 0.995 5.896 -3.819 1.00 23.24 H new ATOM 0 HG12 VAL A 631 0.488 4.602 -4.932 1.00 23.24 H new ATOM 0 HG13 VAL A 631 2.204 5.060 -4.822 1.00 23.24 H new ATOM 0 HG21 VAL A 631 1.651 8.059 -4.614 1.00 34.12 H new ATOM 0 HG22 VAL A 631 2.917 7.358 -5.650 1.00 34.12 H new ATOM 0 HG23 VAL A 631 1.672 8.415 -6.357 1.00 34.12 H new ATOM 774 N SER A 632 -0.265 6.713 -8.836 1.00 22.20 N ATOM 775 CA SER A 632 -0.650 7.694 -9.798 1.00 31.32 C ATOM 776 C SER A 632 -1.388 8.835 -9.118 1.00 74.42 C ATOM 777 O SER A 632 -2.363 8.622 -8.383 1.00 50.05 O ATOM 778 CB SER A 632 -1.461 7.047 -10.905 1.00 73.23 C ATOM 779 OG SER A 632 -0.680 6.026 -11.533 1.00 32.11 O ATOM 0 H SER A 632 -0.955 5.990 -8.632 1.00 22.20 H new ATOM 0 HA SER A 632 0.238 8.124 -10.262 1.00 31.32 H new ATOM 0 HB2 SER A 632 -2.377 6.620 -10.497 1.00 73.23 H new ATOM 0 HB3 SER A 632 -1.758 7.796 -11.639 1.00 73.23 H new ATOM 0 HG SER A 632 -1.197 5.194 -11.570 1.00 32.11 H new ATOM 785 N VAL A 633 -0.893 10.044 -9.349 1.00 73.34 N ATOM 786 CA VAL A 633 -1.435 11.280 -8.795 1.00 44.34 C ATOM 787 C VAL A 633 -1.044 12.369 -9.780 1.00 53.52 C ATOM 788 O VAL A 633 -0.071 12.196 -10.512 1.00 52.41 O ATOM 789 CB VAL A 633 -0.781 11.664 -7.412 1.00 55.14 C ATOM 790 CG1 VAL A 633 -1.525 12.804 -6.728 1.00 41.52 C ATOM 791 CG2 VAL A 633 -0.623 10.484 -6.474 1.00 53.30 C ATOM 0 H VAL A 633 -0.079 10.197 -9.945 1.00 73.34 H new ATOM 0 HA VAL A 633 -2.508 11.164 -8.640 1.00 44.34 H new ATOM 0 HB VAL A 633 0.225 12.009 -7.653 1.00 55.14 H new ATOM 0 HG11 VAL A 633 -1.042 13.036 -5.779 1.00 41.52 H new ATOM 0 HG12 VAL A 633 -1.509 13.685 -7.369 1.00 41.52 H new ATOM 0 HG13 VAL A 633 -2.558 12.507 -6.546 1.00 41.52 H new ATOM 0 HG21 VAL A 633 -0.167 10.818 -5.542 1.00 53.30 H new ATOM 0 HG22 VAL A 633 -1.602 10.052 -6.265 1.00 53.30 H new ATOM 0 HG23 VAL A 633 0.014 9.732 -6.940 1.00 53.30 H new ATOM 797 N GLY A 634 -1.763 13.461 -9.807 1.00 24.23 N ATOM 798 CA GLY A 634 -1.418 14.537 -10.703 1.00 5.42 C ATOM 799 C GLY A 634 -0.250 15.360 -10.191 1.00 71.53 C ATOM 800 O GLY A 634 0.577 15.844 -10.970 1.00 5.24 O ATOM 0 H GLY A 634 -2.584 13.629 -9.225 1.00 24.23 H new ATOM 0 HA2 GLY A 634 -1.169 14.126 -11.682 1.00 5.42 H new ATOM 0 HA3 GLY A 634 -2.284 15.185 -10.840 1.00 5.42 H new ATOM 804 N ALA A 635 -0.176 15.511 -8.882 1.00 23.15 N ATOM 805 CA ALA A 635 0.858 16.320 -8.243 1.00 43.51 C ATOM 806 C ALA A 635 2.050 15.485 -7.770 1.00 14.45 C ATOM 807 O ALA A 635 2.909 15.987 -7.036 1.00 32.24 O ATOM 808 CB ALA A 635 0.256 17.072 -7.064 1.00 24.33 C ATOM 0 H ALA A 635 -0.828 15.079 -8.228 1.00 23.15 H new ATOM 0 HA ALA A 635 1.233 17.020 -8.989 1.00 43.51 H new ATOM 0 HB1 ALA A 635 1.027 17.676 -6.586 1.00 24.33 H new ATOM 0 HB2 ALA A 635 -0.546 17.720 -7.417 1.00 24.33 H new ATOM 0 HB3 ALA A 635 -0.144 16.359 -6.344 1.00 24.33 H new ATOM 814 N CYS A 636 2.124 14.243 -8.188 1.00 1.21 N ATOM 815 CA CYS A 636 3.212 13.378 -7.748 1.00 41.22 C ATOM 816 C CYS A 636 3.839 12.677 -8.946 1.00 2.32 C ATOM 817 O CYS A 636 3.128 12.316 -9.892 1.00 22.12 O ATOM 818 CB CYS A 636 2.701 12.343 -6.737 1.00 23.24 C ATOM 819 SG CYS A 636 1.823 13.064 -5.301 1.00 60.13 S ATOM 0 H CYS A 636 1.457 13.806 -8.824 1.00 1.21 H new ATOM 0 HA CYS A 636 3.969 13.992 -7.261 1.00 41.22 H new ATOM 0 HB2 CYS A 636 2.031 11.652 -7.249 1.00 23.24 H new ATOM 0 HB3 CYS A 636 3.546 11.758 -6.375 1.00 23.24 H new ATOM 824 N PRO A 637 5.169 12.490 -8.938 1.00 3.51 N ATOM 825 CA PRO A 637 5.891 11.842 -10.042 1.00 23.43 C ATOM 826 C PRO A 637 5.686 10.313 -10.054 1.00 60.32 C ATOM 827 O PRO A 637 5.409 9.710 -9.009 1.00 13.05 O ATOM 828 CB PRO A 637 7.358 12.170 -9.728 1.00 21.33 C ATOM 829 CG PRO A 637 7.400 12.283 -8.247 1.00 1.42 C ATOM 830 CD PRO A 637 6.091 12.898 -7.844 1.00 53.01 C ATOM 0 HA PRO A 637 5.550 12.188 -11.018 1.00 23.43 H new ATOM 0 HB2 PRO A 637 8.026 11.387 -10.086 1.00 21.33 H new ATOM 0 HB3 PRO A 637 7.669 13.098 -10.207 1.00 21.33 H new ATOM 0 HG2 PRO A 637 7.531 11.305 -7.784 1.00 1.42 H new ATOM 0 HG3 PRO A 637 8.238 12.902 -7.926 1.00 1.42 H new ATOM 0 HD2 PRO A 637 5.754 12.528 -6.875 1.00 53.01 H new ATOM 0 HD3 PRO A 637 6.164 13.983 -7.763 1.00 53.01 H new ATOM 838 N PRO A 638 5.854 9.656 -11.230 1.00 21.13 N ATOM 839 CA PRO A 638 5.691 8.183 -11.376 1.00 41.21 C ATOM 840 C PRO A 638 6.866 7.383 -10.756 1.00 63.23 C ATOM 841 O PRO A 638 7.138 6.235 -11.130 1.00 71.03 O ATOM 842 CB PRO A 638 5.660 7.997 -12.894 1.00 65.30 C ATOM 843 CG PRO A 638 6.483 9.115 -13.420 1.00 33.42 C ATOM 844 CD PRO A 638 6.203 10.290 -12.524 1.00 61.24 C ATOM 0 HA PRO A 638 4.805 7.815 -10.859 1.00 41.21 H new ATOM 0 HB2 PRO A 638 6.071 7.030 -13.184 1.00 65.30 H new ATOM 0 HB3 PRO A 638 4.641 8.039 -13.279 1.00 65.30 H new ATOM 0 HG2 PRO A 638 7.542 8.859 -13.409 1.00 33.42 H new ATOM 0 HG3 PRO A 638 6.220 9.341 -14.454 1.00 33.42 H new ATOM 0 HD2 PRO A 638 7.072 10.941 -12.431 1.00 61.24 H new ATOM 0 HD3 PRO A 638 5.385 10.901 -12.906 1.00 61.24 H new ATOM 852 N ASP A 639 7.538 7.999 -9.820 1.00 72.53 N ATOM 853 CA ASP A 639 8.627 7.377 -9.075 1.00 62.22 C ATOM 854 C ASP A 639 8.247 7.306 -7.626 1.00 52.43 C ATOM 855 O ASP A 639 8.949 6.717 -6.802 1.00 23.15 O ATOM 856 CB ASP A 639 9.920 8.184 -9.196 1.00 52.01 C ATOM 857 CG ASP A 639 10.469 8.242 -10.588 1.00 4.43 C ATOM 858 OD1 ASP A 639 11.252 7.348 -10.958 1.00 70.15 O ATOM 859 OD2 ASP A 639 10.136 9.180 -11.330 1.00 71.33 O ATOM 0 H ASP A 639 7.350 8.962 -9.541 1.00 72.53 H new ATOM 0 HA ASP A 639 8.796 6.382 -9.488 1.00 62.22 H new ATOM 0 HB2 ASP A 639 9.737 9.200 -8.845 1.00 52.01 H new ATOM 0 HB3 ASP A 639 10.672 7.749 -8.537 1.00 52.01 H new ATOM 864 N SER A 640 7.136 7.914 -7.314 1.00 11.42 N ATOM 865 CA SER A 640 6.660 7.968 -5.981 1.00 34.20 C ATOM 866 C SER A 640 5.763 6.779 -5.741 1.00 53.25 C ATOM 867 O SER A 640 4.822 6.557 -6.494 1.00 60.32 O ATOM 868 CB SER A 640 5.880 9.265 -5.788 1.00 60.04 C ATOM 869 OG SER A 640 5.478 9.439 -4.452 1.00 64.42 O ATOM 0 H SER A 640 6.538 8.387 -7.992 1.00 11.42 H new ATOM 0 HA SER A 640 7.490 7.942 -5.275 1.00 34.20 H new ATOM 0 HB2 SER A 640 6.497 10.109 -6.095 1.00 60.04 H new ATOM 0 HB3 SER A 640 5.002 9.261 -6.434 1.00 60.04 H new ATOM 0 HG SER A 640 5.700 10.347 -4.159 1.00 64.42 H new ATOM 875 N GLY A 641 6.067 6.003 -4.726 1.00 34.42 N ATOM 876 CA GLY A 641 5.231 4.873 -4.402 1.00 45.54 C ATOM 877 C GLY A 641 4.304 5.198 -3.248 1.00 32.43 C ATOM 878 O GLY A 641 3.373 4.468 -2.952 1.00 65.23 O ATOM 0 H GLY A 641 6.876 6.131 -4.118 1.00 34.42 H new ATOM 0 HA2 GLY A 641 4.644 4.587 -5.275 1.00 45.54 H new ATOM 0 HA3 GLY A 641 5.854 4.017 -4.143 1.00 45.54 H new ATOM 882 N ALA A 642 4.588 6.300 -2.596 1.00 54.34 N ATOM 883 CA ALA A 642 3.733 6.867 -1.573 1.00 54.22 C ATOM 884 C ALA A 642 3.867 8.379 -1.636 1.00 44.52 C ATOM 885 O ALA A 642 4.979 8.912 -1.510 1.00 14.21 O ATOM 886 CB ALA A 642 4.134 6.361 -0.197 1.00 32.25 C ATOM 0 H ALA A 642 5.437 6.841 -2.763 1.00 54.34 H new ATOM 0 HA ALA A 642 2.699 6.570 -1.746 1.00 54.22 H new ATOM 0 HB1 ALA A 642 3.480 6.799 0.557 1.00 32.25 H new ATOM 0 HB2 ALA A 642 4.045 5.275 -0.168 1.00 32.25 H new ATOM 0 HB3 ALA A 642 5.166 6.646 0.009 1.00 32.25 H new ATOM 892 N CYS A 643 2.764 9.073 -1.806 1.00 52.14 N ATOM 893 CA CYS A 643 2.806 10.525 -1.955 1.00 73.51 C ATOM 894 C CYS A 643 1.608 11.185 -1.301 1.00 64.34 C ATOM 895 O CYS A 643 0.474 10.697 -1.420 1.00 64.01 O ATOM 896 CB CYS A 643 2.875 10.912 -3.431 1.00 20.22 C ATOM 897 SG CYS A 643 3.058 12.705 -3.738 1.00 30.44 S ATOM 0 H CYS A 643 1.829 8.667 -1.845 1.00 52.14 H new ATOM 0 HA CYS A 643 3.705 10.880 -1.452 1.00 73.51 H new ATOM 0 HB2 CYS A 643 3.714 10.390 -3.891 1.00 20.22 H new ATOM 0 HB3 CYS A 643 1.970 10.562 -3.928 1.00 20.22 H new ATOM 902 N GLN A 644 1.858 12.266 -0.592 1.00 51.24 N ATOM 903 CA GLN A 644 0.815 13.008 0.070 1.00 12.04 C ATOM 904 C GLN A 644 0.729 14.400 -0.491 1.00 5.34 C ATOM 905 O GLN A 644 1.751 15.023 -0.805 1.00 2.21 O ATOM 906 CB GLN A 644 1.044 13.085 1.581 1.00 41.22 C ATOM 907 CG GLN A 644 2.348 13.747 1.982 1.00 53.33 C ATOM 908 CD GLN A 644 2.536 13.812 3.474 1.00 42.22 C ATOM 909 OE1 GLN A 644 1.591 13.898 4.227 1.00 54.32 O ATOM 910 NE2 GLN A 644 3.762 13.768 3.904 1.00 52.41 N ATOM 0 H GLN A 644 2.793 12.652 -0.461 1.00 51.24 H new ATOM 0 HA GLN A 644 -0.121 12.479 -0.108 1.00 12.04 H new ATOM 0 HB2 GLN A 644 0.218 13.633 2.034 1.00 41.22 H new ATOM 0 HB3 GLN A 644 1.021 12.076 1.992 1.00 41.22 H new ATOM 0 HG2 GLN A 644 3.179 13.198 1.539 1.00 53.33 H new ATOM 0 HG3 GLN A 644 2.378 14.757 1.572 1.00 53.33 H new ATOM 0 HE21 GLN A 644 4.533 13.695 3.240 1.00 52.41 H new ATOM 0 HE22 GLN A 644 3.953 13.806 4.905 1.00 52.41 H new ATOM 918 N VAL A 645 -0.463 14.874 -0.633 1.00 54.14 N ATOM 919 CA VAL A 645 -0.713 16.205 -1.088 1.00 54.01 C ATOM 920 C VAL A 645 -1.447 16.933 0.022 1.00 52.25 C ATOM 921 O VAL A 645 -2.509 16.480 0.458 1.00 14.42 O ATOM 922 CB VAL A 645 -1.593 16.220 -2.377 1.00 34.21 C ATOM 923 CG1 VAL A 645 -1.792 17.642 -2.897 1.00 40.43 C ATOM 924 CG2 VAL A 645 -1.001 15.325 -3.463 1.00 20.50 C ATOM 0 H VAL A 645 -1.308 14.339 -0.433 1.00 54.14 H new ATOM 0 HA VAL A 645 0.235 16.685 -1.332 1.00 54.01 H new ATOM 0 HB VAL A 645 -2.571 15.821 -2.108 1.00 34.21 H new ATOM 0 HG11 VAL A 645 -2.409 17.618 -3.795 1.00 40.43 H new ATOM 0 HG12 VAL A 645 -2.286 18.243 -2.133 1.00 40.43 H new ATOM 0 HG13 VAL A 645 -0.823 18.082 -3.134 1.00 40.43 H new ATOM 0 HG21 VAL A 645 -1.637 15.357 -4.348 1.00 20.50 H new ATOM 0 HG22 VAL A 645 -0.002 15.678 -3.721 1.00 20.50 H new ATOM 0 HG23 VAL A 645 -0.940 14.300 -3.097 1.00 20.50 H new ATOM 930 N SER A 646 -0.877 18.015 0.514 1.00 42.53 N ATOM 931 CA SER A 646 -1.533 18.793 1.529 1.00 53.20 C ATOM 932 C SER A 646 -2.713 19.455 0.905 1.00 12.53 C ATOM 933 O SER A 646 -2.633 19.963 -0.216 1.00 4.03 O ATOM 934 CB SER A 646 -0.586 19.850 2.131 1.00 61.11 C ATOM 935 OG SER A 646 -1.239 20.649 3.122 1.00 21.42 O ATOM 0 H SER A 646 0.035 18.369 0.225 1.00 42.53 H new ATOM 0 HA SER A 646 -1.843 18.139 2.345 1.00 53.20 H new ATOM 0 HB2 SER A 646 0.276 19.353 2.576 1.00 61.11 H new ATOM 0 HB3 SER A 646 -0.209 20.494 1.337 1.00 61.11 H new ATOM 0 HG SER A 646 -0.568 21.142 3.639 1.00 21.42 H new ATOM 941 N ARG A 647 -3.781 19.479 1.609 1.00 63.45 N ATOM 942 CA ARG A 647 -4.979 20.024 1.076 1.00 43.43 C ATOM 943 C ARG A 647 -4.996 21.511 1.284 1.00 2.34 C ATOM 944 O ARG A 647 -5.464 22.261 0.434 1.00 52.04 O ATOM 945 CB ARG A 647 -6.183 19.344 1.695 1.00 72.43 C ATOM 946 CG ARG A 647 -6.135 17.832 1.539 1.00 41.44 C ATOM 947 CD ARG A 647 -7.375 17.170 2.070 1.00 74.32 C ATOM 948 NE ARG A 647 -8.561 17.530 1.304 1.00 41.52 N ATOM 949 CZ ARG A 647 -9.759 16.973 1.461 1.00 74.53 C ATOM 950 NH1 ARG A 647 -9.970 16.091 2.445 1.00 4.30 N ATOM 951 NH2 ARG A 647 -10.748 17.317 0.656 1.00 0.15 N ATOM 0 H ARG A 647 -3.854 19.126 2.563 1.00 63.45 H new ATOM 0 HA ARG A 647 -5.023 19.841 0.002 1.00 43.43 H new ATOM 0 HB2 ARG A 647 -6.235 19.596 2.754 1.00 72.43 H new ATOM 0 HB3 ARG A 647 -7.092 19.726 1.231 1.00 72.43 H new ATOM 0 HG2 ARG A 647 -6.013 17.580 0.486 1.00 41.44 H new ATOM 0 HG3 ARG A 647 -5.263 17.441 2.063 1.00 41.44 H new ATOM 0 HD2 ARG A 647 -7.245 16.088 2.048 1.00 74.32 H new ATOM 0 HD3 ARG A 647 -7.518 17.453 3.113 1.00 74.32 H new ATOM 0 HE ARG A 647 -8.466 18.260 0.598 1.00 41.52 H new ATOM 0 HH11 ARG A 647 -9.210 15.843 3.079 1.00 4.30 H new ATOM 0 HH12 ARG A 647 -10.890 15.667 2.561 1.00 4.30 H new ATOM 0 HH21 ARG A 647 -10.591 18.005 -0.080 1.00 0.15 H new ATOM 0 HH22 ARG A 647 -11.669 16.894 0.770 1.00 0.15 H new ATOM 963 N SER A 648 -4.462 21.932 2.399 1.00 22.01 N ATOM 964 CA SER A 648 -4.367 23.323 2.717 1.00 44.22 C ATOM 965 C SER A 648 -3.133 24.002 2.083 1.00 73.15 C ATOM 966 O SER A 648 -3.212 25.147 1.645 1.00 23.44 O ATOM 967 CB SER A 648 -4.418 23.507 4.228 1.00 53.33 C ATOM 968 OG SER A 648 -3.533 22.601 4.869 1.00 31.44 O ATOM 0 H SER A 648 -4.080 21.312 3.113 1.00 22.01 H new ATOM 0 HA SER A 648 -5.225 23.829 2.276 1.00 44.22 H new ATOM 0 HB2 SER A 648 -4.148 24.531 4.485 1.00 53.33 H new ATOM 0 HB3 SER A 648 -5.435 23.346 4.586 1.00 53.33 H new ATOM 0 HG SER A 648 -3.576 22.733 5.839 1.00 31.44 H new ATOM 974 N ASP A 649 -1.994 23.298 2.024 1.00 71.23 N ATOM 975 CA ASP A 649 -0.765 23.928 1.474 1.00 5.15 C ATOM 976 C ASP A 649 -0.623 23.655 -0.006 1.00 73.32 C ATOM 977 O ASP A 649 0.206 24.270 -0.671 1.00 25.21 O ATOM 978 CB ASP A 649 0.507 23.374 2.150 1.00 14.35 C ATOM 979 CG ASP A 649 0.544 23.521 3.643 1.00 61.25 C ATOM 980 OD1 ASP A 649 0.891 24.605 4.142 1.00 62.02 O ATOM 981 OD2 ASP A 649 0.254 22.530 4.347 1.00 22.22 O ATOM 0 H ASP A 649 -1.888 22.332 2.334 1.00 71.23 H new ATOM 0 HA ASP A 649 -0.866 24.997 1.664 1.00 5.15 H new ATOM 0 HB2 ASP A 649 0.602 22.317 1.901 1.00 14.35 H new ATOM 0 HB3 ASP A 649 1.375 23.880 1.728 1.00 14.35 H new ATOM 986 N ARG A 650 -1.441 22.736 -0.513 1.00 35.42 N ATOM 987 CA ARG A 650 -1.413 22.277 -1.925 1.00 2.02 C ATOM 988 C ARG A 650 -0.017 21.793 -2.366 1.00 13.44 C ATOM 989 O ARG A 650 0.300 21.758 -3.560 1.00 24.25 O ATOM 990 CB ARG A 650 -1.933 23.350 -2.889 1.00 20.01 C ATOM 991 CG ARG A 650 -3.383 23.753 -2.668 1.00 2.03 C ATOM 992 CD ARG A 650 -4.316 22.543 -2.651 1.00 54.31 C ATOM 993 NE ARG A 650 -4.165 21.671 -3.829 1.00 31.42 N ATOM 994 CZ ARG A 650 -4.784 20.487 -3.978 1.00 3.21 C ATOM 995 NH1 ARG A 650 -5.693 20.087 -3.086 1.00 25.42 N ATOM 996 NH2 ARG A 650 -4.507 19.719 -5.024 1.00 54.32 N ATOM 0 H ARG A 650 -2.159 22.273 0.044 1.00 35.42 H new ATOM 0 HA ARG A 650 -2.087 21.421 -1.969 1.00 2.02 H new ATOM 0 HB2 ARG A 650 -1.306 24.237 -2.797 1.00 20.01 H new ATOM 0 HB3 ARG A 650 -1.823 22.986 -3.910 1.00 20.01 H new ATOM 0 HG2 ARG A 650 -3.470 24.291 -1.724 1.00 2.03 H new ATOM 0 HG3 ARG A 650 -3.693 24.439 -3.456 1.00 2.03 H new ATOM 0 HD2 ARG A 650 -4.126 21.960 -1.750 1.00 54.31 H new ATOM 0 HD3 ARG A 650 -5.348 22.890 -2.595 1.00 54.31 H new ATOM 0 HE ARG A 650 -3.551 21.986 -4.580 1.00 31.42 H new ATOM 0 HH11 ARG A 650 -5.920 20.680 -2.288 1.00 25.42 H new ATOM 0 HH12 ARG A 650 -6.161 19.188 -3.202 1.00 25.42 H new ATOM 0 HH21 ARG A 650 -3.824 20.027 -5.716 1.00 54.32 H new ATOM 0 HH22 ARG A 650 -4.977 18.821 -5.136 1.00 54.32 H new ATOM 1008 N LYS A 651 0.779 21.371 -1.411 1.00 53.35 N ATOM 1009 CA LYS A 651 2.096 20.839 -1.693 1.00 72.31 C ATOM 1010 C LYS A 651 2.051 19.354 -1.658 1.00 15.30 C ATOM 1011 O LYS A 651 1.171 18.772 -1.037 1.00 13.23 O ATOM 1012 CB LYS A 651 3.122 21.316 -0.680 1.00 61.30 C ATOM 1013 CG LYS A 651 3.400 22.786 -0.721 1.00 12.14 C ATOM 1014 CD LYS A 651 4.360 23.184 0.381 1.00 61.13 C ATOM 1015 CE LYS A 651 4.684 24.660 0.335 1.00 31.44 C ATOM 1016 NZ LYS A 651 5.614 25.051 1.417 1.00 53.43 N ATOM 0 H LYS A 651 0.535 21.386 -0.421 1.00 53.35 H new ATOM 0 HA LYS A 651 2.391 21.194 -2.681 1.00 72.31 H new ATOM 0 HB2 LYS A 651 2.776 21.053 0.320 1.00 61.30 H new ATOM 0 HB3 LYS A 651 4.055 20.778 -0.847 1.00 61.30 H new ATOM 0 HG2 LYS A 651 3.821 23.054 -1.690 1.00 12.14 H new ATOM 0 HG3 LYS A 651 2.467 23.340 -0.614 1.00 12.14 H new ATOM 0 HD2 LYS A 651 3.925 22.937 1.349 1.00 61.13 H new ATOM 0 HD3 LYS A 651 5.280 22.607 0.288 1.00 61.13 H new ATOM 0 HE2 LYS A 651 5.126 24.905 -0.631 1.00 31.44 H new ATOM 0 HE3 LYS A 651 3.763 25.237 0.420 1.00 31.44 H new ATOM 0 HZ1 LYS A 651 5.813 26.070 1.353 1.00 53.43 H new ATOM 0 HZ2 LYS A 651 5.182 24.840 2.339 1.00 53.43 H new ATOM 0 HZ3 LYS A 651 6.502 24.518 1.321 1.00 53.43 H new ATOM 1030 N SER A 652 2.992 18.754 -2.279 1.00 34.45 N ATOM 1031 CA SER A 652 3.075 17.329 -2.308 1.00 43.31 C ATOM 1032 C SER A 652 4.465 16.867 -1.898 1.00 73.33 C ATOM 1033 O SER A 652 5.469 17.523 -2.209 1.00 61.54 O ATOM 1034 CB SER A 652 2.653 16.786 -3.690 1.00 25.34 C ATOM 1035 OG SER A 652 3.378 17.408 -4.754 1.00 42.32 O ATOM 0 H SER A 652 3.736 19.232 -2.788 1.00 34.45 H new ATOM 0 HA SER A 652 2.375 16.917 -1.581 1.00 43.31 H new ATOM 0 HB2 SER A 652 2.816 15.709 -3.721 1.00 25.34 H new ATOM 0 HB3 SER A 652 1.585 16.951 -3.834 1.00 25.34 H new ATOM 0 HG SER A 652 3.318 16.853 -5.559 1.00 42.32 H new ATOM 1041 N TRP A 653 4.519 15.784 -1.180 1.00 5.41 N ATOM 1042 CA TRP A 653 5.767 15.219 -0.714 1.00 74.32 C ATOM 1043 C TRP A 653 5.743 13.750 -0.951 1.00 31.43 C ATOM 1044 O TRP A 653 4.686 13.113 -0.825 1.00 72.53 O ATOM 1045 CB TRP A 653 5.953 15.417 0.800 1.00 4.20 C ATOM 1046 CG TRP A 653 6.012 16.825 1.286 1.00 74.51 C ATOM 1047 CD1 TRP A 653 7.125 17.583 1.467 1.00 63.13 C ATOM 1048 CD2 TRP A 653 4.911 17.629 1.677 1.00 21.33 C ATOM 1049 NE1 TRP A 653 6.783 18.812 1.958 1.00 21.32 N ATOM 1050 CE2 TRP A 653 5.421 18.869 2.093 1.00 64.12 C ATOM 1051 CE3 TRP A 653 3.542 17.415 1.715 1.00 62.15 C ATOM 1052 CZ2 TRP A 653 4.598 19.894 2.543 1.00 32.40 C ATOM 1053 CZ3 TRP A 653 2.728 18.416 2.154 1.00 11.44 C ATOM 1054 CH2 TRP A 653 3.251 19.650 2.568 1.00 13.12 C ATOM 0 H TRP A 653 3.694 15.257 -0.894 1.00 5.41 H new ATOM 0 HA TRP A 653 6.574 15.718 -1.250 1.00 74.32 H new ATOM 0 HB2 TRP A 653 5.133 14.914 1.313 1.00 4.20 H new ATOM 0 HB3 TRP A 653 6.873 14.914 1.099 1.00 4.20 H new ATOM 0 HD1 TRP A 653 8.134 17.261 1.254 1.00 63.13 H new ATOM 0 HE1 TRP A 653 7.435 19.563 2.186 1.00 21.32 H new ATOM 0 HE3 TRP A 653 3.126 16.469 1.401 1.00 62.15 H new ATOM 0 HZ2 TRP A 653 5.004 20.843 2.860 1.00 32.40 H new ATOM 0 HZ3 TRP A 653 1.660 18.256 2.184 1.00 11.44 H new ATOM 0 HH2 TRP A 653 2.579 20.422 2.913 1.00 13.12 H new ATOM 1065 N ASN A 654 6.868 13.197 -1.262 1.00 12.43 N ATOM 1066 CA ASN A 654 6.958 11.778 -1.396 1.00 61.40 C ATOM 1067 C ASN A 654 7.255 11.218 -0.058 1.00 1.31 C ATOM 1068 O ASN A 654 8.054 11.781 0.693 1.00 43.51 O ATOM 1069 CB ASN A 654 8.045 11.328 -2.384 1.00 20.20 C ATOM 1070 CG ASN A 654 7.767 11.716 -3.814 1.00 12.23 C ATOM 1071 OD1 ASN A 654 6.623 11.868 -4.217 1.00 41.33 O ATOM 1072 ND2 ASN A 654 8.799 11.827 -4.591 1.00 73.21 N ATOM 0 H ASN A 654 7.738 13.703 -1.428 1.00 12.43 H new ATOM 0 HA ASN A 654 6.010 11.416 -1.794 1.00 61.40 H new ATOM 0 HB2 ASN A 654 8.999 11.758 -2.080 1.00 20.20 H new ATOM 0 HB3 ASN A 654 8.150 10.245 -2.325 1.00 20.20 H new ATOM 0 HD21 ASN A 654 8.672 12.049 -5.578 1.00 73.21 H new ATOM 0 HD22 ASN A 654 9.737 11.692 -4.215 1.00 73.21 H new ATOM 1078 N LEU A 655 6.605 10.168 0.292 1.00 33.22 N ATOM 1079 CA LEU A 655 6.898 9.551 1.542 1.00 70.04 C ATOM 1080 C LEU A 655 7.675 8.302 1.280 1.00 42.20 C ATOM 1081 O LEU A 655 7.973 7.531 2.177 1.00 13.21 O ATOM 1082 CB LEU A 655 5.669 9.232 2.372 1.00 41.05 C ATOM 1083 CG LEU A 655 4.629 10.330 2.595 1.00 54.11 C ATOM 1084 CD1 LEU A 655 3.734 10.487 1.428 1.00 72.51 C ATOM 1085 CD2 LEU A 655 3.828 10.062 3.808 1.00 55.41 C ATOM 0 H LEU A 655 5.874 9.719 -0.259 1.00 33.22 H new ATOM 0 HA LEU A 655 7.475 10.264 2.130 1.00 70.04 H new ATOM 0 HB2 LEU A 655 5.163 8.388 1.903 1.00 41.05 H new ATOM 0 HB3 LEU A 655 6.010 8.895 3.351 1.00 41.05 H new ATOM 0 HG LEU A 655 5.177 11.262 2.729 1.00 54.11 H new ATOM 0 HD11 LEU A 655 3.010 11.277 1.628 1.00 72.51 H new ATOM 0 HD12 LEU A 655 4.324 10.749 0.550 1.00 72.51 H new ATOM 0 HD13 LEU A 655 3.207 9.550 1.245 1.00 72.51 H new ATOM 0 HD21 LEU A 655 3.096 10.858 3.944 1.00 55.41 H new ATOM 0 HD22 LEU A 655 3.311 9.108 3.700 1.00 55.41 H new ATOM 0 HD23 LEU A 655 4.485 10.022 4.677 1.00 55.41 H new ATOM 1093 N GLY A 656 7.988 8.109 0.032 1.00 41.24 N ATOM 1094 CA GLY A 656 8.774 7.020 -0.345 1.00 41.34 C ATOM 1095 C GLY A 656 8.748 6.782 -1.816 1.00 11.13 C ATOM 1096 O GLY A 656 7.676 6.773 -2.447 1.00 20.12 O ATOM 0 H GLY A 656 7.696 8.713 -0.736 1.00 41.24 H new ATOM 0 HA2 GLY A 656 9.802 7.190 -0.025 1.00 41.34 H new ATOM 0 HA3 GLY A 656 8.423 6.126 0.171 1.00 41.34 H new ATOM 1100 N ARG A 657 9.914 6.634 -2.374 1.00 42.41 N ATOM 1101 CA ARG A 657 10.071 6.286 -3.746 1.00 34.03 C ATOM 1102 C ARG A 657 9.712 4.812 -3.903 1.00 14.22 C ATOM 1103 O ARG A 657 9.965 4.017 -2.989 1.00 51.45 O ATOM 1104 CB ARG A 657 11.507 6.599 -4.190 1.00 50.42 C ATOM 1105 CG ARG A 657 11.910 6.041 -5.536 1.00 14.14 C ATOM 1106 CD ARG A 657 13.237 6.615 -6.015 1.00 35.43 C ATOM 1107 NE ARG A 657 14.313 6.529 -5.009 1.00 3.05 N ATOM 1108 CZ ARG A 657 15.528 5.998 -5.201 1.00 31.24 C ATOM 1109 NH1 ARG A 657 15.790 5.311 -6.305 1.00 25.41 N ATOM 1110 NH2 ARG A 657 16.465 6.128 -4.259 1.00 64.34 N ATOM 0 H ARG A 657 10.795 6.755 -1.875 1.00 42.41 H new ATOM 0 HA ARG A 657 9.409 6.868 -4.387 1.00 34.03 H new ATOM 0 HB2 ARG A 657 11.634 7.681 -4.213 1.00 50.42 H new ATOM 0 HB3 ARG A 657 12.194 6.213 -3.436 1.00 50.42 H new ATOM 0 HG2 ARG A 657 11.986 4.956 -5.471 1.00 14.14 H new ATOM 0 HG3 ARG A 657 11.133 6.262 -6.268 1.00 14.14 H new ATOM 0 HD2 ARG A 657 13.549 6.086 -6.915 1.00 35.43 H new ATOM 0 HD3 ARG A 657 13.093 7.659 -6.293 1.00 35.43 H new ATOM 0 HE ARG A 657 14.114 6.908 -4.083 1.00 3.05 H new ATOM 0 HH11 ARG A 657 15.065 5.185 -7.012 1.00 25.41 H new ATOM 0 HH12 ARG A 657 16.716 4.908 -6.447 1.00 25.41 H new ATOM 0 HH21 ARG A 657 16.255 6.630 -3.396 1.00 64.34 H new ATOM 0 HH22 ARG A 657 17.391 5.725 -4.402 1.00 64.34 H new ATOM 1122 N SER A 658 9.116 4.476 -5.028 1.00 33.22 N ATOM 1123 CA SER A 658 8.601 3.151 -5.316 1.00 15.43 C ATOM 1124 C SER A 658 9.534 2.002 -4.922 1.00 33.23 C ATOM 1125 O SER A 658 10.714 1.935 -5.313 1.00 72.11 O ATOM 1126 CB SER A 658 8.247 3.076 -6.764 1.00 15.24 C ATOM 1127 OG SER A 658 7.280 4.045 -7.067 1.00 25.10 O ATOM 0 H SER A 658 8.972 5.137 -5.791 1.00 33.22 H new ATOM 0 HA SER A 658 7.718 3.014 -4.691 1.00 15.43 H new ATOM 0 HB2 SER A 658 9.137 3.233 -7.374 1.00 15.24 H new ATOM 0 HB3 SER A 658 7.868 2.083 -7.004 1.00 15.24 H new ATOM 0 HG SER A 658 7.168 4.103 -8.039 1.00 25.10 H new ATOM 1133 N ASN A 659 8.984 1.132 -4.136 1.00 23.12 N ATOM 1134 CA ASN A 659 9.603 -0.029 -3.623 1.00 60.24 C ATOM 1135 C ASN A 659 8.576 -1.143 -3.738 1.00 42.22 C ATOM 1136 O ASN A 659 7.387 -0.864 -3.944 1.00 5.40 O ATOM 1137 CB ASN A 659 9.912 0.242 -2.160 1.00 34.40 C ATOM 1138 CG ASN A 659 10.492 -0.915 -1.421 1.00 45.53 C ATOM 1139 OD1 ASN A 659 11.199 -1.751 -1.976 1.00 44.32 O ATOM 1140 ND2 ASN A 659 10.188 -0.988 -0.180 1.00 62.12 N ATOM 0 H ASN A 659 8.020 1.230 -3.818 1.00 23.12 H new ATOM 0 HA ASN A 659 10.519 -0.298 -4.150 1.00 60.24 H new ATOM 0 HB2 ASN A 659 10.607 1.080 -2.099 1.00 34.40 H new ATOM 0 HB3 ASN A 659 8.994 0.552 -1.660 1.00 34.40 H new ATOM 0 HD21 ASN A 659 10.536 -1.762 0.386 1.00 62.12 H new ATOM 0 HD22 ASN A 659 9.597 -0.272 0.243 1.00 62.12 H new ATOM 1146 N ALA A 660 8.996 -2.365 -3.636 1.00 55.04 N ATOM 1147 CA ALA A 660 8.074 -3.460 -3.715 1.00 62.21 C ATOM 1148 C ALA A 660 8.234 -4.400 -2.529 1.00 3.22 C ATOM 1149 O ALA A 660 7.552 -5.427 -2.454 1.00 2.43 O ATOM 1150 CB ALA A 660 8.259 -4.206 -5.025 1.00 54.54 C ATOM 0 H ALA A 660 9.971 -2.632 -3.498 1.00 55.04 H new ATOM 0 HA ALA A 660 7.061 -3.058 -3.682 1.00 62.21 H new ATOM 0 HB1 ALA A 660 7.554 -5.036 -5.074 1.00 54.54 H new ATOM 0 HB2 ALA A 660 8.080 -3.527 -5.859 1.00 54.54 H new ATOM 0 HB3 ALA A 660 9.277 -4.591 -5.084 1.00 54.54 H new ATOM 1156 N LYS A 661 9.135 -4.062 -1.610 1.00 64.23 N ATOM 1157 CA LYS A 661 9.373 -4.896 -0.457 1.00 3.13 C ATOM 1158 C LYS A 661 8.221 -4.950 0.514 1.00 15.22 C ATOM 1159 O LYS A 661 7.794 -3.933 1.082 1.00 24.10 O ATOM 1160 CB LYS A 661 10.646 -4.525 0.274 1.00 5.24 C ATOM 1161 CG LYS A 661 11.908 -4.856 -0.473 1.00 10.45 C ATOM 1162 CD LYS A 661 13.098 -4.549 0.377 1.00 54.21 C ATOM 1163 CE LYS A 661 14.381 -5.061 -0.246 1.00 73.11 C ATOM 1164 NZ LYS A 661 15.533 -4.862 0.649 1.00 52.02 N ATOM 0 H LYS A 661 9.706 -3.217 -1.649 1.00 64.23 H new ATOM 0 HA LYS A 661 9.485 -5.897 -0.874 1.00 3.13 H new ATOM 0 HB2 LYS A 661 10.632 -3.455 0.484 1.00 5.24 H new ATOM 0 HB3 LYS A 661 10.662 -5.038 1.235 1.00 5.24 H new ATOM 0 HG2 LYS A 661 11.911 -5.910 -0.750 1.00 10.45 H new ATOM 0 HG3 LYS A 661 11.954 -4.283 -1.399 1.00 10.45 H new ATOM 0 HD2 LYS A 661 13.171 -3.472 0.525 1.00 54.21 H new ATOM 0 HD3 LYS A 661 12.967 -4.998 1.361 1.00 54.21 H new ATOM 0 HE2 LYS A 661 14.277 -6.121 -0.476 1.00 73.11 H new ATOM 0 HE3 LYS A 661 14.559 -4.546 -1.190 1.00 73.11 H new ATOM 0 HZ1 LYS A 661 16.375 -5.313 0.237 1.00 52.02 H new ATOM 0 HZ2 LYS A 661 15.709 -3.844 0.767 1.00 52.02 H new ATOM 0 HZ3 LYS A 661 15.330 -5.288 1.576 1.00 52.02 H new ATOM 1178 N LEU A 662 7.731 -6.138 0.694 1.00 2.23 N ATOM 1179 CA LEU A 662 6.734 -6.432 1.668 1.00 54.45 C ATOM 1180 C LEU A 662 7.430 -7.037 2.851 1.00 24.25 C ATOM 1181 O LEU A 662 8.237 -7.942 2.692 1.00 62.53 O ATOM 1182 CB LEU A 662 5.736 -7.448 1.111 1.00 13.13 C ATOM 1183 CG LEU A 662 4.833 -6.991 -0.023 1.00 72.44 C ATOM 1184 CD1 LEU A 662 4.033 -8.165 -0.525 1.00 41.21 C ATOM 1185 CD2 LEU A 662 3.901 -5.891 0.449 1.00 20.32 C ATOM 0 H LEU A 662 8.024 -6.950 0.151 1.00 2.23 H new ATOM 0 HA LEU A 662 6.195 -5.525 1.941 1.00 54.45 H new ATOM 0 HB2 LEU A 662 6.297 -8.317 0.766 1.00 13.13 H new ATOM 0 HB3 LEU A 662 5.102 -7.783 1.932 1.00 13.13 H new ATOM 0 HG LEU A 662 5.448 -6.595 -0.831 1.00 72.44 H new ATOM 0 HD11 LEU A 662 3.384 -7.842 -1.339 1.00 41.21 H new ATOM 0 HD12 LEU A 662 4.710 -8.939 -0.887 1.00 41.21 H new ATOM 0 HD13 LEU A 662 3.426 -8.565 0.287 1.00 41.21 H new ATOM 0 HD21 LEU A 662 3.262 -5.576 -0.376 1.00 20.32 H new ATOM 0 HD22 LEU A 662 3.282 -6.264 1.265 1.00 20.32 H new ATOM 0 HD23 LEU A 662 4.488 -5.041 0.798 1.00 20.32 H new ATOM 1193 N SER A 663 7.149 -6.557 4.008 1.00 22.33 N ATOM 1194 CA SER A 663 7.735 -7.090 5.190 1.00 70.33 C ATOM 1195 C SER A 663 6.662 -7.763 6.011 1.00 24.42 C ATOM 1196 O SER A 663 5.645 -7.174 6.306 1.00 1.02 O ATOM 1197 CB SER A 663 8.418 -5.982 5.972 1.00 62.54 C ATOM 1198 OG SER A 663 9.405 -5.342 5.166 1.00 1.13 O ATOM 0 H SER A 663 6.505 -5.782 4.166 1.00 22.33 H new ATOM 0 HA SER A 663 8.492 -7.831 4.933 1.00 70.33 H new ATOM 0 HB2 SER A 663 7.679 -5.252 6.302 1.00 62.54 H new ATOM 0 HB3 SER A 663 8.882 -6.393 6.869 1.00 62.54 H new ATOM 0 HG SER A 663 9.836 -4.629 5.682 1.00 1.13 H new ATOM 1204 N TYR A 664 6.876 -8.974 6.347 1.00 74.14 N ATOM 1205 CA TYR A 664 5.914 -9.715 7.075 1.00 24.24 C ATOM 1206 C TYR A 664 6.385 -9.888 8.491 1.00 74.11 C ATOM 1207 O TYR A 664 7.486 -10.386 8.738 1.00 50.14 O ATOM 1208 CB TYR A 664 5.680 -11.055 6.388 1.00 34.11 C ATOM 1209 CG TYR A 664 4.608 -11.913 6.998 1.00 34.42 C ATOM 1210 CD1 TYR A 664 3.301 -11.471 7.057 1.00 12.32 C ATOM 1211 CD2 TYR A 664 4.894 -13.179 7.468 1.00 61.41 C ATOM 1212 CE1 TYR A 664 2.309 -12.240 7.563 1.00 23.42 C ATOM 1213 CE2 TYR A 664 3.912 -13.980 7.992 1.00 45.34 C ATOM 1214 CZ TYR A 664 2.608 -13.510 8.038 1.00 53.31 C ATOM 1215 OH TYR A 664 1.605 -14.304 8.564 1.00 15.14 O ATOM 0 H TYR A 664 7.729 -9.488 6.125 1.00 74.14 H new ATOM 0 HA TYR A 664 4.964 -9.182 7.100 1.00 24.24 H new ATOM 0 HB2 TYR A 664 5.424 -10.870 5.345 1.00 34.11 H new ATOM 0 HB3 TYR A 664 6.616 -11.614 6.392 1.00 34.11 H new ATOM 0 HD1 TYR A 664 3.064 -10.484 6.689 1.00 12.32 H new ATOM 0 HD2 TYR A 664 5.909 -13.545 7.422 1.00 61.41 H new ATOM 0 HE1 TYR A 664 1.295 -11.870 7.597 1.00 23.42 H new ATOM 0 HE2 TYR A 664 4.151 -14.965 8.364 1.00 45.34 H new ATOM 0 HH TYR A 664 1.340 -14.977 7.903 1.00 15.14 H new ATOM 1225 N TYR A 665 5.571 -9.431 9.409 1.00 60.31 N ATOM 1226 CA TYR A 665 5.847 -9.524 10.819 1.00 54.40 C ATOM 1227 C TYR A 665 5.287 -10.897 11.263 1.00 12.11 C ATOM 1228 O TYR A 665 5.256 -11.814 10.447 1.00 31.11 O ATOM 1229 CB TYR A 665 5.121 -8.332 11.480 1.00 22.32 C ATOM 1230 CG TYR A 665 5.562 -7.961 12.875 1.00 30.00 C ATOM 1231 CD1 TYR A 665 6.884 -7.625 13.132 1.00 54.33 C ATOM 1232 CD2 TYR A 665 4.659 -7.897 13.917 1.00 51.31 C ATOM 1233 CE1 TYR A 665 7.288 -7.242 14.389 1.00 22.03 C ATOM 1234 CE2 TYR A 665 5.055 -7.521 15.184 1.00 1.33 C ATOM 1235 CZ TYR A 665 6.371 -7.193 15.413 1.00 3.42 C ATOM 1236 OH TYR A 665 6.772 -6.804 16.674 1.00 70.01 O ATOM 0 H TYR A 665 4.684 -8.977 9.193 1.00 60.31 H new ATOM 0 HA TYR A 665 6.901 -9.472 11.091 1.00 54.40 H new ATOM 0 HB2 TYR A 665 5.247 -7.459 10.840 1.00 22.32 H new ATOM 0 HB3 TYR A 665 4.055 -8.556 11.508 1.00 22.32 H new ATOM 0 HD1 TYR A 665 7.607 -7.665 12.331 1.00 54.33 H new ATOM 0 HD2 TYR A 665 3.624 -8.146 13.737 1.00 51.31 H new ATOM 0 HE1 TYR A 665 8.320 -6.981 14.571 1.00 22.03 H new ATOM 0 HE2 TYR A 665 4.337 -7.484 15.990 1.00 1.33 H new ATOM 0 HH TYR A 665 6.003 -6.822 17.282 1.00 70.01 H new ATOM 1246 N ASP A 666 4.856 -11.060 12.515 1.00 12.53 N ATOM 1247 CA ASP A 666 4.282 -12.369 12.938 1.00 12.35 C ATOM 1248 C ASP A 666 3.098 -12.740 12.048 1.00 73.04 C ATOM 1249 O ASP A 666 2.910 -13.906 11.681 1.00 14.13 O ATOM 1250 CB ASP A 666 3.868 -12.387 14.429 1.00 62.11 C ATOM 1251 CG ASP A 666 2.752 -11.423 14.775 1.00 60.41 C ATOM 1252 OD1 ASP A 666 3.047 -10.262 15.097 1.00 5.03 O ATOM 1253 OD2 ASP A 666 1.566 -11.825 14.736 1.00 13.35 O ATOM 0 H ASP A 666 4.884 -10.342 13.239 1.00 12.53 H new ATOM 0 HA ASP A 666 5.069 -13.115 12.822 1.00 12.35 H new ATOM 0 HB2 ASP A 666 3.556 -13.397 14.696 1.00 62.11 H new ATOM 0 HB3 ASP A 666 4.740 -12.151 15.039 1.00 62.11 H new ATOM 1258 N GLY A 667 2.331 -11.737 11.682 1.00 1.32 N ATOM 1259 CA GLY A 667 1.231 -11.934 10.784 1.00 20.04 C ATOM 1260 C GLY A 667 0.767 -10.649 10.162 1.00 54.31 C ATOM 1261 O GLY A 667 0.071 -10.661 9.138 1.00 13.32 O ATOM 0 H GLY A 667 2.455 -10.775 11.998 1.00 1.32 H new ATOM 0 HA2 GLY A 667 1.526 -12.630 9.998 1.00 20.04 H new ATOM 0 HA3 GLY A 667 0.403 -12.394 11.323 1.00 20.04 H new ATOM 1265 N MET A 668 1.128 -9.533 10.766 1.00 74.11 N ATOM 1266 CA MET A 668 0.810 -8.261 10.180 1.00 1.53 C ATOM 1267 C MET A 668 1.748 -8.018 9.031 1.00 34.35 C ATOM 1268 O MET A 668 2.973 -8.019 9.203 1.00 51.31 O ATOM 1269 CB MET A 668 0.924 -7.098 11.179 1.00 54.31 C ATOM 1270 CG MET A 668 0.026 -7.199 12.402 1.00 55.44 C ATOM 1271 SD MET A 668 0.073 -5.702 13.430 1.00 62.32 S ATOM 1272 CE MET A 668 1.827 -5.553 13.785 1.00 72.52 C ATOM 0 H MET A 668 1.635 -9.488 11.650 1.00 74.11 H new ATOM 0 HA MET A 668 -0.228 -8.298 9.849 1.00 1.53 H new ATOM 0 HB2 MET A 668 1.959 -7.029 11.514 1.00 54.31 H new ATOM 0 HB3 MET A 668 0.695 -6.169 10.657 1.00 54.31 H new ATOM 0 HG2 MET A 668 -0.999 -7.383 12.081 1.00 55.44 H new ATOM 0 HG3 MET A 668 0.331 -8.057 13.002 1.00 55.44 H new ATOM 0 HE1 MET A 668 1.980 -4.788 14.546 1.00 72.52 H new ATOM 0 HE2 MET A 668 2.207 -6.508 14.148 1.00 72.52 H new ATOM 0 HE3 MET A 668 2.360 -5.272 12.876 1.00 72.52 H new ATOM 1282 N ILE A 669 1.200 -7.867 7.874 1.00 65.31 N ATOM 1283 CA ILE A 669 1.983 -7.562 6.716 1.00 12.12 C ATOM 1284 C ILE A 669 2.239 -6.082 6.721 1.00 70.30 C ATOM 1285 O ILE A 669 1.322 -5.292 6.924 1.00 3.31 O ATOM 1286 CB ILE A 669 1.259 -7.978 5.430 1.00 54.24 C ATOM 1287 CG1 ILE A 669 1.057 -9.453 5.427 1.00 4.12 C ATOM 1288 CG2 ILE A 669 2.055 -7.571 4.188 1.00 23.13 C ATOM 1289 CD1 ILE A 669 0.124 -9.954 4.355 1.00 53.14 C ATOM 0 H ILE A 669 0.199 -7.950 7.699 1.00 65.31 H new ATOM 0 HA ILE A 669 2.921 -8.116 6.745 1.00 12.12 H new ATOM 0 HB ILE A 669 0.296 -7.468 5.402 1.00 54.24 H new ATOM 0 HG12 ILE A 669 2.025 -9.939 5.305 1.00 4.12 H new ATOM 0 HG13 ILE A 669 0.669 -9.756 6.399 1.00 4.12 H new ATOM 0 HG21 ILE A 669 1.515 -7.880 3.293 1.00 23.13 H new ATOM 0 HG22 ILE A 669 2.185 -6.489 4.178 1.00 23.13 H new ATOM 0 HG23 ILE A 669 3.032 -8.054 4.208 1.00 23.13 H new ATOM 0 HD11 ILE A 669 0.036 -11.038 4.427 1.00 53.14 H new ATOM 0 HD12 ILE A 669 -0.858 -9.500 4.486 1.00 53.14 H new ATOM 0 HD13 ILE A 669 0.519 -9.687 3.375 1.00 53.14 H new ATOM 1296 N GLN A 670 3.456 -5.718 6.556 1.00 55.22 N ATOM 1297 CA GLN A 670 3.839 -4.348 6.600 1.00 54.21 C ATOM 1298 C GLN A 670 4.558 -3.940 5.325 1.00 64.51 C ATOM 1299 O GLN A 670 5.597 -4.487 4.972 1.00 71.30 O ATOM 1300 CB GLN A 670 4.689 -4.074 7.840 1.00 20.45 C ATOM 1301 CG GLN A 670 3.973 -4.457 9.131 1.00 74.03 C ATOM 1302 CD GLN A 670 4.756 -4.142 10.373 1.00 35.32 C ATOM 1303 OE1 GLN A 670 5.543 -4.953 10.860 1.00 51.32 O ATOM 1304 NE2 GLN A 670 4.526 -2.979 10.912 1.00 22.13 N ATOM 0 H GLN A 670 4.226 -6.365 6.385 1.00 55.22 H new ATOM 0 HA GLN A 670 2.938 -3.738 6.669 1.00 54.21 H new ATOM 0 HB2 GLN A 670 5.623 -4.630 7.767 1.00 20.45 H new ATOM 0 HB3 GLN A 670 4.950 -3.016 7.872 1.00 20.45 H new ATOM 0 HG2 GLN A 670 3.016 -3.936 9.174 1.00 74.03 H new ATOM 0 HG3 GLN A 670 3.754 -5.525 9.111 1.00 74.03 H new ATOM 0 HE21 GLN A 670 3.865 -2.336 10.475 1.00 22.13 H new ATOM 0 HE22 GLN A 670 5.007 -2.711 11.771 1.00 22.13 H new ATOM 1312 N LEU A 671 3.987 -3.003 4.642 1.00 14.13 N ATOM 1313 CA LEU A 671 4.555 -2.472 3.410 1.00 15.41 C ATOM 1314 C LEU A 671 5.316 -1.245 3.790 1.00 73.42 C ATOM 1315 O LEU A 671 4.777 -0.380 4.462 1.00 21.24 O ATOM 1316 CB LEU A 671 3.441 -2.122 2.407 1.00 35.33 C ATOM 1317 CG LEU A 671 3.854 -1.466 1.070 1.00 54.13 C ATOM 1318 CD1 LEU A 671 4.705 -2.386 0.212 1.00 52.35 C ATOM 1319 CD2 LEU A 671 2.629 -1.037 0.301 1.00 55.45 C ATOM 0 H LEU A 671 3.104 -2.569 4.912 1.00 14.13 H new ATOM 0 HA LEU A 671 5.202 -3.206 2.929 1.00 15.41 H new ATOM 0 HB2 LEU A 671 2.898 -3.039 2.176 1.00 35.33 H new ATOM 0 HB3 LEU A 671 2.740 -1.453 2.906 1.00 35.33 H new ATOM 0 HG LEU A 671 4.461 -0.594 1.315 1.00 54.13 H new ATOM 0 HD11 LEU A 671 4.968 -1.878 -0.716 1.00 52.35 H new ATOM 0 HD12 LEU A 671 5.614 -2.649 0.752 1.00 52.35 H new ATOM 0 HD13 LEU A 671 4.144 -3.292 -0.017 1.00 52.35 H new ATOM 0 HD21 LEU A 671 2.932 -0.576 -0.639 1.00 55.45 H new ATOM 0 HD22 LEU A 671 2.006 -1.907 0.094 1.00 55.45 H new ATOM 0 HD23 LEU A 671 2.062 -0.317 0.892 1.00 55.45 H new ATOM 1327 N THR A 672 6.543 -1.162 3.403 1.00 71.40 N ATOM 1328 CA THR A 672 7.361 -0.067 3.832 1.00 70.52 C ATOM 1329 C THR A 672 7.940 0.706 2.656 1.00 32.24 C ATOM 1330 O THR A 672 8.654 0.155 1.823 1.00 22.24 O ATOM 1331 CB THR A 672 8.501 -0.571 4.748 1.00 12.35 C ATOM 1332 OG1 THR A 672 7.928 -1.323 5.833 1.00 22.21 O ATOM 1333 CG2 THR A 672 9.289 0.602 5.326 1.00 42.54 C ATOM 0 H THR A 672 7.006 -1.835 2.792 1.00 71.40 H new ATOM 0 HA THR A 672 6.722 0.614 4.394 1.00 70.52 H new ATOM 0 HB THR A 672 9.175 -1.193 4.160 1.00 12.35 H new ATOM 0 HG1 THR A 672 8.643 -1.649 6.419 1.00 22.21 H new ATOM 0 HG21 THR A 672 10.086 0.225 5.967 1.00 42.54 H new ATOM 0 HG22 THR A 672 9.723 1.185 4.513 1.00 42.54 H new ATOM 0 HG23 THR A 672 8.622 1.235 5.911 1.00 42.54 H new ATOM 1339 N TYR A 673 7.598 1.957 2.585 1.00 70.02 N ATOM 1340 CA TYR A 673 8.168 2.850 1.619 1.00 31.31 C ATOM 1341 C TYR A 673 9.100 3.808 2.290 1.00 34.02 C ATOM 1342 O TYR A 673 8.751 4.416 3.299 1.00 35.14 O ATOM 1343 CB TYR A 673 7.118 3.632 0.836 1.00 12.21 C ATOM 1344 CG TYR A 673 6.345 2.829 -0.164 1.00 2.24 C ATOM 1345 CD1 TYR A 673 7.008 2.091 -1.116 1.00 73.41 C ATOM 1346 CD2 TYR A 673 4.966 2.848 -0.193 1.00 22.34 C ATOM 1347 CE1 TYR A 673 6.328 1.388 -2.072 1.00 34.34 C ATOM 1348 CE2 TYR A 673 4.275 2.138 -1.148 1.00 10.35 C ATOM 1349 CZ TYR A 673 4.971 1.407 -2.091 1.00 41.25 C ATOM 1350 OH TYR A 673 4.302 0.716 -3.072 1.00 72.02 O ATOM 0 H TYR A 673 6.910 2.391 3.200 1.00 70.02 H new ATOM 0 HA TYR A 673 8.710 2.229 0.906 1.00 31.31 H new ATOM 0 HB2 TYR A 673 6.417 4.077 1.542 1.00 12.21 H new ATOM 0 HB3 TYR A 673 7.611 4.453 0.316 1.00 12.21 H new ATOM 0 HD1 TYR A 673 8.088 2.066 -1.109 1.00 73.41 H new ATOM 0 HD2 TYR A 673 4.423 3.426 0.541 1.00 22.34 H new ATOM 0 HE1 TYR A 673 6.871 0.818 -2.812 1.00 34.34 H new ATOM 0 HE2 TYR A 673 3.195 2.152 -1.160 1.00 10.35 H new ATOM 0 HH TYR A 673 3.337 0.852 -2.968 1.00 72.02 H new ATOM 1360 N ARG A 674 10.275 3.911 1.751 1.00 1.21 N ATOM 1361 CA ARG A 674 11.287 4.823 2.214 1.00 11.00 C ATOM 1362 C ARG A 674 11.801 5.627 1.050 1.00 3.01 C ATOM 1363 O ARG A 674 11.296 5.465 -0.065 1.00 44.41 O ATOM 1364 CB ARG A 674 12.432 4.119 2.940 1.00 32.02 C ATOM 1365 CG ARG A 674 12.040 3.509 4.270 1.00 74.14 C ATOM 1366 CD ARG A 674 13.254 2.984 5.009 1.00 73.21 C ATOM 1367 NE ARG A 674 14.273 4.033 5.172 1.00 11.21 N ATOM 1368 CZ ARG A 674 14.666 4.571 6.332 1.00 45.12 C ATOM 1369 NH1 ARG A 674 14.076 4.239 7.479 1.00 23.30 N ATOM 1370 NH2 ARG A 674 15.641 5.459 6.339 1.00 50.51 N ATOM 0 H ARG A 674 10.570 3.348 0.953 1.00 1.21 H new ATOM 0 HA ARG A 674 10.828 5.486 2.947 1.00 11.00 H new ATOM 0 HB2 ARG A 674 12.828 3.334 2.296 1.00 32.02 H new ATOM 0 HB3 ARG A 674 13.238 4.834 3.104 1.00 32.02 H new ATOM 0 HG2 ARG A 674 11.534 4.256 4.881 1.00 74.14 H new ATOM 0 HG3 ARG A 674 11.331 2.697 4.106 1.00 74.14 H new ATOM 0 HD2 ARG A 674 12.954 2.610 5.988 1.00 73.21 H new ATOM 0 HD3 ARG A 674 13.679 2.142 4.463 1.00 73.21 H new ATOM 0 HE ARG A 674 14.720 4.381 4.324 1.00 11.21 H new ATOM 0 HH11 ARG A 674 13.311 3.564 7.482 1.00 23.30 H new ATOM 0 HH12 ARG A 674 14.389 4.659 8.354 1.00 23.30 H new ATOM 0 HH21 ARG A 674 16.089 5.731 5.464 1.00 50.51 H new ATOM 0 HH22 ARG A 674 15.947 5.874 7.219 1.00 50.51 H new ATOM 1382 N ASP A 675 12.777 6.511 1.318 1.00 12.23 N ATOM 1383 CA ASP A 675 13.384 7.426 0.312 1.00 22.22 C ATOM 1384 C ASP A 675 12.466 8.638 0.124 1.00 51.42 C ATOM 1385 O ASP A 675 12.543 9.375 -0.854 1.00 33.01 O ATOM 1386 CB ASP A 675 13.660 6.688 -1.035 1.00 43.30 C ATOM 1387 CG ASP A 675 14.545 7.452 -1.986 1.00 51.43 C ATOM 1388 OD1 ASP A 675 15.783 7.335 -1.874 1.00 43.23 O ATOM 1389 OD2 ASP A 675 14.029 8.131 -2.891 1.00 62.12 O ATOM 0 H ASP A 675 13.178 6.619 2.250 1.00 12.23 H new ATOM 0 HA ASP A 675 14.352 7.772 0.674 1.00 22.22 H new ATOM 0 HB2 ASP A 675 14.122 5.724 -0.821 1.00 43.30 H new ATOM 0 HB3 ASP A 675 12.709 6.483 -1.526 1.00 43.30 H new ATOM 1394 N GLY A 676 11.611 8.846 1.110 1.00 34.11 N ATOM 1395 CA GLY A 676 10.707 9.962 1.104 1.00 31.13 C ATOM 1396 C GLY A 676 11.408 11.294 1.287 1.00 2.42 C ATOM 1397 O GLY A 676 12.628 11.352 1.485 1.00 53.02 O ATOM 0 H GLY A 676 11.531 8.244 1.930 1.00 34.11 H new ATOM 0 HA2 GLY A 676 10.158 9.973 0.162 1.00 31.13 H new ATOM 0 HA3 GLY A 676 9.973 9.832 1.899 1.00 31.13 H new ATOM 1401 N THR A 677 10.648 12.352 1.227 1.00 74.52 N ATOM 1402 CA THR A 677 11.162 13.683 1.382 1.00 52.42 C ATOM 1403 C THR A 677 11.515 13.912 2.866 1.00 32.33 C ATOM 1404 O THR A 677 10.643 13.784 3.739 1.00 54.12 O ATOM 1405 CB THR A 677 10.085 14.704 0.946 1.00 30.23 C ATOM 1406 OG1 THR A 677 9.562 14.325 -0.342 1.00 23.43 O ATOM 1407 CG2 THR A 677 10.674 16.105 0.843 1.00 72.44 C ATOM 0 H THR A 677 9.641 12.313 1.067 1.00 74.52 H new ATOM 0 HA THR A 677 12.052 13.811 0.765 1.00 52.42 H new ATOM 0 HB THR A 677 9.292 14.708 1.694 1.00 30.23 H new ATOM 0 HG1 THR A 677 9.012 15.053 -0.699 1.00 23.43 H new ATOM 0 HG21 THR A 677 9.897 16.805 0.535 1.00 72.44 H new ATOM 0 HG22 THR A 677 11.069 16.406 1.813 1.00 72.44 H new ATOM 0 HG23 THR A 677 11.478 16.108 0.107 1.00 72.44 H new ATOM 1413 N PRO A 678 12.785 14.209 3.176 1.00 4.31 N ATOM 1414 CA PRO A 678 13.230 14.429 4.549 1.00 2.35 C ATOM 1415 C PRO A 678 12.755 15.747 5.123 1.00 25.34 C ATOM 1416 O PRO A 678 12.486 16.704 4.386 1.00 42.42 O ATOM 1417 CB PRO A 678 14.768 14.420 4.458 1.00 22.22 C ATOM 1418 CG PRO A 678 15.091 13.991 3.061 1.00 33.21 C ATOM 1419 CD PRO A 678 13.899 14.348 2.225 1.00 14.22 C ATOM 0 HA PRO A 678 12.824 13.665 5.212 1.00 2.35 H new ATOM 0 HB2 PRO A 678 15.178 15.408 4.668 1.00 22.22 H new ATOM 0 HB3 PRO A 678 15.199 13.734 5.187 1.00 22.22 H new ATOM 0 HG2 PRO A 678 15.986 14.495 2.697 1.00 33.21 H new ATOM 0 HG3 PRO A 678 15.289 12.920 3.019 1.00 33.21 H new ATOM 0 HD2 PRO A 678 13.970 15.361 1.830 1.00 14.22 H new ATOM 0 HD3 PRO A 678 13.788 13.680 1.371 1.00 14.22 H new ATOM 1427 N TYR A 679 12.625 15.782 6.426 1.00 31.23 N ATOM 1428 CA TYR A 679 12.267 16.984 7.121 1.00 34.13 C ATOM 1429 C TYR A 679 13.133 17.264 8.322 1.00 31.45 C ATOM 1430 O TYR A 679 14.112 16.538 8.564 1.00 11.22 O ATOM 1431 CB TYR A 679 10.778 17.117 7.407 1.00 71.22 C ATOM 1432 CG TYR A 679 10.062 15.911 7.926 1.00 35.13 C ATOM 1433 CD1 TYR A 679 10.075 15.536 9.263 1.00 40.34 C ATOM 1434 CD2 TYR A 679 9.314 15.189 7.065 1.00 24.11 C ATOM 1435 CE1 TYR A 679 9.340 14.443 9.687 1.00 33.11 C ATOM 1436 CE2 TYR A 679 8.573 14.121 7.468 1.00 15.51 C ATOM 1437 CZ TYR A 679 8.584 13.748 8.766 1.00 33.22 C ATOM 1438 OH TYR A 679 7.830 12.690 9.149 1.00 63.01 O ATOM 0 H TYR A 679 12.766 14.974 7.032 1.00 31.23 H new ATOM 0 HA TYR A 679 12.485 17.784 6.413 1.00 34.13 H new ATOM 0 HB2 TYR A 679 10.645 17.923 8.129 1.00 71.22 H new ATOM 0 HB3 TYR A 679 10.286 17.430 6.486 1.00 71.22 H new ATOM 0 HD1 TYR A 679 10.661 16.099 9.974 1.00 40.34 H new ATOM 0 HD2 TYR A 679 9.303 15.468 6.022 1.00 24.11 H new ATOM 0 HE1 TYR A 679 9.358 14.139 10.723 1.00 33.11 H new ATOM 0 HE2 TYR A 679 7.978 13.573 6.752 1.00 15.51 H new ATOM 0 HH TYR A 679 7.045 12.620 8.566 1.00 63.01 H new ATOM 1448 N ASN A 680 12.777 18.337 9.049 1.00 21.22 N ATOM 1449 CA ASN A 680 13.548 18.882 10.178 1.00 4.30 C ATOM 1450 C ASN A 680 13.925 17.880 11.250 1.00 2.13 C ATOM 1451 O ASN A 680 13.203 17.670 12.233 1.00 72.44 O ATOM 1452 CB ASN A 680 12.886 20.124 10.806 1.00 15.42 C ATOM 1453 CG ASN A 680 12.793 21.296 9.848 1.00 10.32 C ATOM 1454 OD1 ASN A 680 13.720 22.107 9.750 1.00 41.35 O ATOM 1455 ND2 ASN A 680 11.672 21.424 9.172 1.00 71.50 N ATOM 0 H ASN A 680 11.923 18.862 8.862 1.00 21.22 H new ATOM 0 HA ASN A 680 14.487 19.183 9.714 1.00 4.30 H new ATOM 0 HB2 ASN A 680 11.885 19.861 11.148 1.00 15.42 H new ATOM 0 HB3 ASN A 680 13.454 20.426 11.686 1.00 15.42 H new ATOM 0 HD21 ASN A 680 11.545 22.214 8.540 1.00 71.50 H new ATOM 0 HD22 ASN A 680 10.930 20.733 9.280 1.00 71.50 H new ATOM 1461 N ASN A 681 15.043 17.261 11.022 1.00 43.42 N ATOM 1462 CA ASN A 681 15.696 16.349 11.922 1.00 30.42 C ATOM 1463 C ASN A 681 17.153 16.662 11.813 1.00 33.23 C ATOM 1464 O ASN A 681 17.583 17.166 10.768 1.00 65.31 O ATOM 1465 CB ASN A 681 15.490 14.861 11.534 1.00 34.21 C ATOM 1466 CG ASN A 681 14.085 14.299 11.727 1.00 21.50 C ATOM 1467 OD1 ASN A 681 13.086 14.978 11.605 1.00 3.13 O ATOM 1468 ND2 ASN A 681 14.024 13.035 12.027 1.00 61.12 N ATOM 0 H ASN A 681 15.558 17.384 10.150 1.00 43.42 H new ATOM 0 HA ASN A 681 15.286 16.471 12.924 1.00 30.42 H new ATOM 0 HB2 ASN A 681 15.766 14.740 10.486 1.00 34.21 H new ATOM 0 HB3 ASN A 681 16.183 14.256 12.118 1.00 34.21 H new ATOM 0 HD21 ASN A 681 13.118 12.587 12.167 1.00 61.12 H new ATOM 0 HD22 ASN A 681 14.882 12.492 12.122 1.00 61.12 H new ATOM 1474 N GLU A 682 17.920 16.364 12.837 1.00 62.42 N ATOM 1475 CA GLU A 682 19.353 16.657 12.824 1.00 1.42 C ATOM 1476 C GLU A 682 20.083 15.956 11.672 1.00 55.51 C ATOM 1477 O GLU A 682 20.985 16.522 11.064 1.00 54.12 O ATOM 1478 CB GLU A 682 20.005 16.323 14.157 1.00 72.42 C ATOM 1479 CG GLU A 682 19.562 17.206 15.312 1.00 74.14 C ATOM 1480 CD GLU A 682 20.287 16.877 16.595 1.00 12.22 C ATOM 1481 OE1 GLU A 682 21.481 17.225 16.725 1.00 4.42 O ATOM 1482 OE2 GLU A 682 19.680 16.267 17.503 1.00 74.24 O ATOM 0 H GLU A 682 17.586 15.920 13.692 1.00 62.42 H new ATOM 0 HA GLU A 682 19.445 17.731 12.660 1.00 1.42 H new ATOM 0 HB2 GLU A 682 19.785 15.284 14.405 1.00 72.42 H new ATOM 0 HB3 GLU A 682 21.087 16.403 14.049 1.00 72.42 H new ATOM 0 HG2 GLU A 682 19.737 18.251 15.056 1.00 74.14 H new ATOM 0 HG3 GLU A 682 18.489 17.091 15.464 1.00 74.14 H new ATOM 1489 N LYS A 683 19.692 14.736 11.384 1.00 34.52 N ATOM 1490 CA LYS A 683 20.287 13.971 10.289 1.00 60.45 C ATOM 1491 C LYS A 683 19.433 14.069 9.032 1.00 0.22 C ATOM 1492 O LYS A 683 19.778 13.505 8.000 1.00 53.44 O ATOM 1493 CB LYS A 683 20.408 12.511 10.698 1.00 54.35 C ATOM 1494 CG LYS A 683 21.247 12.296 11.939 1.00 75.44 C ATOM 1495 CD LYS A 683 21.313 10.836 12.303 1.00 3.14 C ATOM 1496 CE LYS A 683 22.077 10.633 13.590 1.00 24.33 C ATOM 1497 NZ LYS A 683 22.150 9.207 13.965 1.00 64.33 N ATOM 0 H LYS A 683 18.959 14.240 11.892 1.00 34.52 H new ATOM 0 HA LYS A 683 21.273 14.384 10.076 1.00 60.45 H new ATOM 0 HB2 LYS A 683 19.410 12.107 10.870 1.00 54.35 H new ATOM 0 HB3 LYS A 683 20.843 11.946 9.873 1.00 54.35 H new ATOM 0 HG2 LYS A 683 22.254 12.678 11.772 1.00 75.44 H new ATOM 0 HG3 LYS A 683 20.825 12.862 12.769 1.00 75.44 H new ATOM 0 HD2 LYS A 683 20.304 10.438 12.408 1.00 3.14 H new ATOM 0 HD3 LYS A 683 21.793 10.278 11.499 1.00 3.14 H new ATOM 0 HE2 LYS A 683 23.085 11.032 13.481 1.00 24.33 H new ATOM 0 HE3 LYS A 683 21.596 11.195 14.391 1.00 24.33 H new ATOM 0 HZ1 LYS A 683 22.682 9.108 14.853 1.00 64.33 H new ATOM 0 HZ2 LYS A 683 21.188 8.832 14.094 1.00 64.33 H new ATOM 0 HZ3 LYS A 683 22.631 8.674 13.212 1.00 64.33 H new ATOM 1511 N ARG A 684 18.335 14.818 9.137 1.00 44.40 N ATOM 1512 CA ARG A 684 17.315 14.941 8.083 1.00 11.22 C ATOM 1513 C ARG A 684 16.801 13.586 7.662 1.00 30.22 C ATOM 1514 O ARG A 684 17.336 12.941 6.764 1.00 3.03 O ATOM 1515 CB ARG A 684 17.734 15.772 6.852 1.00 20.53 C ATOM 1516 CG ARG A 684 18.081 17.227 7.136 1.00 13.23 C ATOM 1517 CD ARG A 684 19.437 17.370 7.814 1.00 5.32 C ATOM 1518 NE ARG A 684 20.494 16.762 6.995 1.00 63.32 N ATOM 1519 CZ ARG A 684 21.772 16.607 7.356 1.00 61.20 C ATOM 1520 NH1 ARG A 684 22.211 17.071 8.524 1.00 23.42 N ATOM 1521 NH2 ARG A 684 22.608 15.983 6.541 1.00 10.44 N ATOM 0 H ARG A 684 18.121 15.368 9.969 1.00 44.40 H new ATOM 0 HA ARG A 684 16.511 15.512 8.548 1.00 11.22 H new ATOM 0 HB2 ARG A 684 18.597 15.294 6.388 1.00 20.53 H new ATOM 0 HB3 ARG A 684 16.924 15.745 6.123 1.00 20.53 H new ATOM 0 HG2 ARG A 684 18.082 17.788 6.202 1.00 13.23 H new ATOM 0 HG3 ARG A 684 17.311 17.666 7.770 1.00 13.23 H new ATOM 0 HD2 ARG A 684 19.658 18.425 7.977 1.00 5.32 H new ATOM 0 HD3 ARG A 684 19.411 16.894 8.794 1.00 5.32 H new ATOM 0 HE ARG A 684 20.229 16.428 6.068 1.00 63.32 H new ATOM 0 HH11 ARG A 684 21.570 17.551 9.155 1.00 23.42 H new ATOM 0 HH12 ARG A 684 23.188 16.946 8.787 1.00 23.42 H new ATOM 0 HH21 ARG A 684 22.275 15.625 5.646 1.00 10.44 H new ATOM 0 HH22 ARG A 684 23.585 15.860 6.808 1.00 10.44 H new ATOM 1533 N THR A 685 15.795 13.160 8.327 1.00 41.41 N ATOM 1534 CA THR A 685 15.227 11.861 8.101 1.00 73.03 C ATOM 1535 C THR A 685 14.210 11.896 6.969 1.00 11.32 C ATOM 1536 O THR A 685 13.249 12.687 7.016 1.00 41.01 O ATOM 1537 CB THR A 685 14.557 11.337 9.394 1.00 53.21 C ATOM 1538 OG1 THR A 685 15.550 11.186 10.431 1.00 64.44 O ATOM 1539 CG2 THR A 685 13.840 10.010 9.169 1.00 11.23 C ATOM 0 H THR A 685 15.328 13.700 9.055 1.00 41.41 H new ATOM 0 HA THR A 685 16.034 11.187 7.816 1.00 73.03 H new ATOM 0 HB THR A 685 13.809 12.069 9.698 1.00 53.21 H new ATOM 0 HG1 THR A 685 15.158 10.709 11.192 1.00 64.44 H new ATOM 0 HG21 THR A 685 13.385 9.680 10.103 1.00 11.23 H new ATOM 0 HG22 THR A 685 13.065 10.139 8.413 1.00 11.23 H new ATOM 0 HG23 THR A 685 14.557 9.262 8.830 1.00 11.23 H new ATOM 1545 N PRO A 686 14.427 11.084 5.910 1.00 23.11 N ATOM 1546 CA PRO A 686 13.454 10.925 4.850 1.00 0.22 C ATOM 1547 C PRO A 686 12.219 10.283 5.429 1.00 4.42 C ATOM 1548 O PRO A 686 12.317 9.280 6.150 1.00 12.12 O ATOM 1549 CB PRO A 686 14.134 9.971 3.851 1.00 24.11 C ATOM 1550 CG PRO A 686 15.578 9.998 4.207 1.00 70.22 C ATOM 1551 CD PRO A 686 15.632 10.268 5.678 1.00 31.35 C ATOM 0 HA PRO A 686 13.159 11.864 4.381 1.00 0.22 H new ATOM 0 HB2 PRO A 686 13.728 8.963 3.930 1.00 24.11 H new ATOM 0 HB3 PRO A 686 13.976 10.298 2.824 1.00 24.11 H new ATOM 0 HG2 PRO A 686 16.058 9.049 3.966 1.00 70.22 H new ATOM 0 HG3 PRO A 686 16.104 10.772 3.648 1.00 70.22 H new ATOM 0 HD2 PRO A 686 15.613 9.346 6.259 1.00 31.35 H new ATOM 0 HD3 PRO A 686 16.541 10.801 5.957 1.00 31.35 H new ATOM 1559 N ARG A 687 11.076 10.858 5.164 1.00 54.41 N ATOM 1560 CA ARG A 687 9.856 10.341 5.729 1.00 63.52 C ATOM 1561 C ARG A 687 9.528 8.999 5.094 1.00 71.52 C ATOM 1562 O ARG A 687 9.953 8.721 3.964 1.00 74.01 O ATOM 1563 CB ARG A 687 8.719 11.341 5.564 1.00 51.32 C ATOM 1564 CG ARG A 687 8.151 11.461 4.174 1.00 63.13 C ATOM 1565 CD ARG A 687 7.209 12.649 4.070 1.00 61.43 C ATOM 1566 NE ARG A 687 7.946 13.914 4.125 1.00 31.41 N ATOM 1567 CZ ARG A 687 7.433 15.125 4.421 1.00 62.41 C ATOM 1568 NH1 ARG A 687 6.238 15.234 4.983 1.00 11.22 N ATOM 1569 NH2 ARG A 687 8.178 16.214 4.246 1.00 22.33 N ATOM 0 H ARG A 687 10.963 11.677 4.566 1.00 54.41 H new ATOM 0 HA ARG A 687 9.990 10.186 6.800 1.00 63.52 H new ATOM 0 HB2 ARG A 687 7.913 11.062 6.243 1.00 51.32 H new ATOM 0 HB3 ARG A 687 9.075 12.323 5.877 1.00 51.32 H new ATOM 0 HG2 ARG A 687 8.962 11.572 3.454 1.00 63.13 H new ATOM 0 HG3 ARG A 687 7.618 10.546 3.915 1.00 63.13 H new ATOM 0 HD2 ARG A 687 6.648 12.592 3.137 1.00 61.43 H new ATOM 0 HD3 ARG A 687 6.482 12.613 4.881 1.00 61.43 H new ATOM 0 HE ARG A 687 8.944 13.875 3.919 1.00 31.41 H new ATOM 0 HH11 ARG A 687 5.696 14.396 5.196 1.00 11.22 H new ATOM 0 HH12 ARG A 687 5.860 16.156 5.203 1.00 11.22 H new ATOM 0 HH21 ARG A 687 9.130 16.129 3.890 1.00 22.33 H new ATOM 0 HH22 ARG A 687 7.797 17.134 4.468 1.00 22.33 H new ATOM 1581 N ALA A 688 8.808 8.187 5.807 1.00 33.25 N ATOM 1582 CA ALA A 688 8.504 6.856 5.355 1.00 75.41 C ATOM 1583 C ALA A 688 7.030 6.547 5.530 1.00 25.00 C ATOM 1584 O ALA A 688 6.337 7.206 6.300 1.00 74.31 O ATOM 1585 CB ALA A 688 9.352 5.845 6.118 1.00 65.21 C ATOM 0 H ALA A 688 8.414 8.424 6.717 1.00 33.25 H new ATOM 0 HA ALA A 688 8.738 6.789 4.292 1.00 75.41 H new ATOM 0 HB1 ALA A 688 9.118 4.838 5.772 1.00 65.21 H new ATOM 0 HB2 ALA A 688 10.408 6.052 5.945 1.00 65.21 H new ATOM 0 HB3 ALA A 688 9.137 5.921 7.184 1.00 65.21 H new ATOM 1591 N THR A 689 6.563 5.568 4.805 1.00 23.42 N ATOM 1592 CA THR A 689 5.192 5.104 4.882 1.00 24.02 C ATOM 1593 C THR A 689 5.172 3.612 5.142 1.00 51.40 C ATOM 1594 O THR A 689 5.859 2.852 4.461 1.00 73.13 O ATOM 1595 CB THR A 689 4.454 5.391 3.561 1.00 34.34 C ATOM 1596 OG1 THR A 689 4.438 6.777 3.343 1.00 14.40 O ATOM 1597 CG2 THR A 689 3.027 4.874 3.580 1.00 2.32 C ATOM 0 H THR A 689 7.130 5.056 4.129 1.00 23.42 H new ATOM 0 HA THR A 689 4.693 5.631 5.695 1.00 24.02 H new ATOM 0 HB THR A 689 4.983 4.875 2.760 1.00 34.34 H new ATOM 0 HG1 THR A 689 3.726 7.000 2.707 1.00 14.40 H new ATOM 0 HG21 THR A 689 2.546 5.099 2.628 1.00 2.32 H new ATOM 0 HG22 THR A 689 3.033 3.795 3.738 1.00 2.32 H new ATOM 0 HG23 THR A 689 2.476 5.356 4.388 1.00 2.32 H new ATOM 1603 N LEU A 690 4.416 3.190 6.120 1.00 22.31 N ATOM 1604 CA LEU A 690 4.288 1.823 6.394 1.00 12.31 C ATOM 1605 C LEU A 690 2.827 1.440 6.522 1.00 30.22 C ATOM 1606 O LEU A 690 2.094 1.987 7.351 1.00 13.43 O ATOM 1607 CB LEU A 690 5.126 1.425 7.626 1.00 13.02 C ATOM 1608 CG LEU A 690 5.069 -0.050 8.036 1.00 15.33 C ATOM 1609 CD1 LEU A 690 6.262 -0.398 8.874 1.00 74.31 C ATOM 1610 CD2 LEU A 690 3.827 -0.347 8.849 1.00 63.13 C ATOM 0 H LEU A 690 3.880 3.801 6.737 1.00 22.31 H new ATOM 0 HA LEU A 690 4.690 1.255 5.555 1.00 12.31 H new ATOM 0 HB2 LEU A 690 6.166 1.686 7.432 1.00 13.02 H new ATOM 0 HB3 LEU A 690 4.798 2.029 8.472 1.00 13.02 H new ATOM 0 HG LEU A 690 5.055 -0.641 7.120 1.00 15.33 H new ATOM 0 HD11 LEU A 690 6.212 -1.449 9.160 1.00 74.31 H new ATOM 0 HD12 LEU A 690 7.173 -0.221 8.302 1.00 74.31 H new ATOM 0 HD13 LEU A 690 6.270 0.222 9.770 1.00 74.31 H new ATOM 0 HD21 LEU A 690 3.816 -1.402 9.124 1.00 63.13 H new ATOM 0 HD22 LEU A 690 3.828 0.264 9.752 1.00 63.13 H new ATOM 0 HD23 LEU A 690 2.941 -0.117 8.257 1.00 63.13 H new ATOM 1618 N ILE A 691 2.419 0.512 5.710 1.00 5.33 N ATOM 1619 CA ILE A 691 1.070 0.007 5.726 1.00 71.45 C ATOM 1620 C ILE A 691 1.052 -1.239 6.584 1.00 31.41 C ATOM 1621 O ILE A 691 1.908 -2.096 6.432 1.00 61.11 O ATOM 1622 CB ILE A 691 0.542 -0.419 4.305 1.00 41.11 C ATOM 1623 CG1 ILE A 691 0.490 0.715 3.266 1.00 64.04 C ATOM 1624 CG2 ILE A 691 -0.826 -1.045 4.414 1.00 24.42 C ATOM 1625 CD1 ILE A 691 1.818 1.349 2.904 1.00 74.14 C ATOM 0 H ILE A 691 3.017 0.076 5.008 1.00 5.33 H new ATOM 0 HA ILE A 691 0.434 0.809 6.100 1.00 71.45 H new ATOM 0 HB ILE A 691 1.276 -1.138 3.942 1.00 41.11 H new ATOM 0 HG12 ILE A 691 0.036 0.325 2.355 1.00 64.04 H new ATOM 0 HG13 ILE A 691 -0.171 1.495 3.643 1.00 64.04 H new ATOM 0 HG21 ILE A 691 -1.174 -1.333 3.422 1.00 24.42 H new ATOM 0 HG22 ILE A 691 -0.772 -1.928 5.050 1.00 24.42 H new ATOM 0 HG23 ILE A 691 -1.521 -0.327 4.848 1.00 24.42 H new ATOM 0 HD11 ILE A 691 1.657 2.134 2.165 1.00 74.14 H new ATOM 0 HD12 ILE A 691 2.271 1.779 3.797 1.00 74.14 H new ATOM 0 HD13 ILE A 691 2.482 0.591 2.489 1.00 74.14 H new ATOM 1632 N THR A 692 0.123 -1.322 7.473 1.00 4.52 N ATOM 1633 CA THR A 692 -0.056 -2.485 8.273 1.00 23.31 C ATOM 1634 C THR A 692 -1.348 -3.172 7.805 1.00 45.53 C ATOM 1635 O THR A 692 -2.437 -2.597 7.926 1.00 53.22 O ATOM 1636 CB THR A 692 -0.173 -2.074 9.751 1.00 15.51 C ATOM 1637 OG1 THR A 692 0.964 -1.251 10.075 1.00 60.41 O ATOM 1638 CG2 THR A 692 -0.172 -3.299 10.655 1.00 63.12 C ATOM 0 H THR A 692 -0.543 -0.574 7.668 1.00 4.52 H new ATOM 0 HA THR A 692 0.789 -3.166 8.173 1.00 23.31 H new ATOM 0 HB THR A 692 -1.107 -1.534 9.904 1.00 15.51 H new ATOM 0 HG1 THR A 692 1.190 -1.363 11.022 1.00 60.41 H new ATOM 0 HG21 THR A 692 -0.256 -2.984 11.695 1.00 63.12 H new ATOM 0 HG22 THR A 692 -1.017 -3.939 10.401 1.00 63.12 H new ATOM 0 HG23 THR A 692 0.757 -3.852 10.517 1.00 63.12 H new ATOM 1644 N PHE A 693 -1.222 -4.355 7.231 1.00 11.44 N ATOM 1645 CA PHE A 693 -2.380 -5.076 6.731 1.00 5.14 C ATOM 1646 C PHE A 693 -2.956 -5.947 7.825 1.00 11.23 C ATOM 1647 O PHE A 693 -2.299 -6.880 8.307 1.00 4.41 O ATOM 1648 CB PHE A 693 -2.030 -5.977 5.509 1.00 54.45 C ATOM 1649 CG PHE A 693 -1.455 -5.253 4.306 1.00 12.35 C ATOM 1650 CD1 PHE A 693 -0.104 -4.981 4.228 1.00 41.31 C ATOM 1651 CD2 PHE A 693 -2.272 -4.835 3.266 1.00 14.35 C ATOM 1652 CE1 PHE A 693 0.427 -4.303 3.143 1.00 34.42 C ATOM 1653 CE2 PHE A 693 -1.740 -4.161 2.176 1.00 34.42 C ATOM 1654 CZ PHE A 693 -0.395 -3.895 2.120 1.00 43.44 C ATOM 0 H PHE A 693 -0.332 -4.836 7.099 1.00 11.44 H new ATOM 0 HA PHE A 693 -3.107 -4.330 6.410 1.00 5.14 H new ATOM 0 HB2 PHE A 693 -1.315 -6.734 5.831 1.00 54.45 H new ATOM 0 HB3 PHE A 693 -2.932 -6.503 5.197 1.00 54.45 H new ATOM 0 HD1 PHE A 693 0.550 -5.302 5.026 1.00 41.31 H new ATOM 0 HD2 PHE A 693 -3.332 -5.036 3.305 1.00 14.35 H new ATOM 0 HE1 PHE A 693 1.486 -4.095 3.101 1.00 34.42 H new ATOM 0 HE2 PHE A 693 -2.386 -3.845 1.370 1.00 34.42 H new ATOM 0 HZ PHE A 693 0.017 -3.366 1.273 1.00 43.44 H new ATOM 1664 N LEU A 694 -4.159 -5.628 8.218 1.00 2.31 N ATOM 1665 CA LEU A 694 -4.897 -6.411 9.169 1.00 70.44 C ATOM 1666 C LEU A 694 -5.927 -7.167 8.390 1.00 4.32 C ATOM 1667 O LEU A 694 -6.325 -6.728 7.295 1.00 74.02 O ATOM 1668 CB LEU A 694 -5.594 -5.554 10.263 1.00 64.53 C ATOM 1669 CG LEU A 694 -4.705 -4.755 11.244 1.00 30.55 C ATOM 1670 CD1 LEU A 694 -3.992 -3.601 10.564 1.00 42.40 C ATOM 1671 CD2 LEU A 694 -5.524 -4.256 12.415 1.00 41.45 C ATOM 0 H LEU A 694 -4.660 -4.806 7.882 1.00 2.31 H new ATOM 0 HA LEU A 694 -4.207 -7.066 9.700 1.00 70.44 H new ATOM 0 HB2 LEU A 694 -6.254 -4.847 9.761 1.00 64.53 H new ATOM 0 HB3 LEU A 694 -6.227 -6.218 10.852 1.00 64.53 H new ATOM 0 HG LEU A 694 -3.937 -5.436 11.611 1.00 30.55 H new ATOM 0 HD11 LEU A 694 -3.380 -3.070 11.294 1.00 42.40 H new ATOM 0 HD12 LEU A 694 -3.355 -3.986 9.768 1.00 42.40 H new ATOM 0 HD13 LEU A 694 -4.728 -2.917 10.141 1.00 42.40 H new ATOM 0 HD21 LEU A 694 -4.882 -3.696 13.095 1.00 41.45 H new ATOM 0 HD22 LEU A 694 -6.321 -3.608 12.051 1.00 41.45 H new ATOM 0 HD23 LEU A 694 -5.959 -5.105 12.943 1.00 41.45 H new ATOM 1679 N CYS A 695 -6.387 -8.251 8.903 1.00 2.53 N ATOM 1680 CA CYS A 695 -7.282 -9.044 8.145 1.00 50.11 C ATOM 1681 C CYS A 695 -8.704 -8.946 8.627 1.00 54.33 C ATOM 1682 O CYS A 695 -9.077 -9.489 9.672 1.00 12.42 O ATOM 1683 CB CYS A 695 -6.835 -10.492 8.077 1.00 64.10 C ATOM 1684 SG CYS A 695 -7.890 -11.520 7.013 1.00 31.21 S ATOM 0 H CYS A 695 -6.162 -8.605 9.833 1.00 2.53 H new ATOM 0 HA CYS A 695 -7.259 -8.634 7.135 1.00 50.11 H new ATOM 0 HB2 CYS A 695 -5.810 -10.532 7.708 1.00 64.10 H new ATOM 0 HB3 CYS A 695 -6.828 -10.911 9.083 1.00 64.10 H new ATOM 1689 N ASP A 696 -9.474 -8.209 7.892 1.00 2.51 N ATOM 1690 CA ASP A 696 -10.896 -8.132 8.097 1.00 72.45 C ATOM 1691 C ASP A 696 -11.481 -9.184 7.168 1.00 14.31 C ATOM 1692 O ASP A 696 -11.206 -9.157 5.975 1.00 52.41 O ATOM 1693 CB ASP A 696 -11.401 -6.729 7.727 1.00 54.35 C ATOM 1694 CG ASP A 696 -12.864 -6.520 8.036 1.00 41.12 C ATOM 1695 OD1 ASP A 696 -13.721 -6.803 7.179 1.00 54.13 O ATOM 1696 OD2 ASP A 696 -13.178 -6.056 9.155 1.00 13.44 O ATOM 0 H ASP A 696 -9.134 -7.634 7.121 1.00 2.51 H new ATOM 0 HA ASP A 696 -11.183 -8.307 9.134 1.00 72.45 H new ATOM 0 HB2 ASP A 696 -10.813 -5.985 8.265 1.00 54.35 H new ATOM 0 HB3 ASP A 696 -11.234 -6.559 6.663 1.00 54.35 H new ATOM 1745 N GLY A 700 -12.740 -8.105 0.629 1.00 13.34 N ATOM 1746 CA GLY A 700 -12.460 -6.801 0.108 1.00 52.33 C ATOM 1747 C GLY A 700 -10.983 -6.603 -0.036 1.00 14.13 C ATOM 1748 O GLY A 700 -10.203 -7.196 0.717 1.00 71.31 O ATOM 0 HA2 GLY A 700 -12.946 -6.677 -0.860 1.00 52.33 H new ATOM 0 HA3 GLY A 700 -12.872 -6.041 0.772 1.00 52.33 H new ATOM 1752 N VAL A 701 -10.585 -5.778 -0.982 1.00 13.21 N ATOM 1753 CA VAL A 701 -9.176 -5.537 -1.248 1.00 74.41 C ATOM 1754 C VAL A 701 -8.561 -4.735 -0.109 1.00 13.00 C ATOM 1755 O VAL A 701 -7.370 -4.842 0.189 1.00 43.31 O ATOM 1756 CB VAL A 701 -8.975 -4.810 -2.600 1.00 1.35 C ATOM 1757 CG1 VAL A 701 -9.517 -3.389 -2.590 1.00 52.22 C ATOM 1758 CG2 VAL A 701 -7.540 -4.870 -3.071 1.00 1.45 C ATOM 0 H VAL A 701 -11.221 -5.257 -1.586 1.00 13.21 H new ATOM 0 HA VAL A 701 -8.671 -6.501 -1.315 1.00 74.41 H new ATOM 0 HB VAL A 701 -9.571 -5.357 -3.331 1.00 1.35 H new ATOM 0 HG11 VAL A 701 -9.348 -2.928 -3.563 1.00 52.22 H new ATOM 0 HG12 VAL A 701 -10.586 -3.409 -2.378 1.00 52.22 H new ATOM 0 HG13 VAL A 701 -9.005 -2.810 -1.821 1.00 52.22 H new ATOM 0 HG21 VAL A 701 -7.447 -4.347 -4.023 1.00 1.45 H new ATOM 0 HG22 VAL A 701 -6.894 -4.396 -2.332 1.00 1.45 H new ATOM 0 HG23 VAL A 701 -7.242 -5.911 -3.198 1.00 1.45 H new ATOM 1764 N GLY A 702 -9.389 -3.973 0.524 1.00 43.13 N ATOM 1765 CA GLY A 702 -8.989 -3.206 1.654 1.00 72.34 C ATOM 1766 C GLY A 702 -8.784 -1.754 1.341 1.00 33.30 C ATOM 1767 O GLY A 702 -8.367 -1.394 0.239 1.00 13.05 O ATOM 0 H GLY A 702 -10.371 -3.865 0.269 1.00 43.13 H new ATOM 0 HA2 GLY A 702 -9.745 -3.300 2.434 1.00 72.34 H new ATOM 0 HA3 GLY A 702 -8.063 -3.618 2.056 1.00 72.34 H new ATOM 1771 N PHE A 703 -9.089 -0.927 2.298 1.00 32.35 N ATOM 1772 CA PHE A 703 -8.902 0.486 2.170 1.00 12.22 C ATOM 1773 C PHE A 703 -7.886 0.944 3.214 1.00 32.42 C ATOM 1774 O PHE A 703 -8.007 0.586 4.393 1.00 60.33 O ATOM 1775 CB PHE A 703 -10.242 1.225 2.350 1.00 35.30 C ATOM 1776 CG PHE A 703 -10.138 2.705 2.133 1.00 75.24 C ATOM 1777 CD1 PHE A 703 -10.028 3.206 0.854 1.00 63.54 C ATOM 1778 CD2 PHE A 703 -10.127 3.594 3.201 1.00 53.10 C ATOM 1779 CE1 PHE A 703 -9.912 4.554 0.633 1.00 31.42 C ATOM 1780 CE2 PHE A 703 -10.007 4.954 2.981 1.00 0.24 C ATOM 1781 CZ PHE A 703 -9.898 5.428 1.686 1.00 65.25 C ATOM 0 H PHE A 703 -9.477 -1.218 3.195 1.00 32.35 H new ATOM 0 HA PHE A 703 -8.527 0.719 1.173 1.00 12.22 H new ATOM 0 HB2 PHE A 703 -10.972 0.813 1.653 1.00 35.30 H new ATOM 0 HB3 PHE A 703 -10.620 1.038 3.355 1.00 35.30 H new ATOM 0 HD1 PHE A 703 -10.033 2.527 0.014 1.00 63.54 H new ATOM 0 HD2 PHE A 703 -10.213 3.220 4.211 1.00 53.10 H new ATOM 0 HE1 PHE A 703 -9.831 4.928 -0.377 1.00 31.42 H new ATOM 0 HE2 PHE A 703 -9.998 5.641 3.814 1.00 0.24 H new ATOM 0 HZ PHE A 703 -9.802 6.489 1.506 1.00 65.25 H new ATOM 1791 N PRO A 704 -6.852 1.690 2.799 1.00 63.52 N ATOM 1792 CA PRO A 704 -5.851 2.203 3.716 1.00 14.44 C ATOM 1793 C PRO A 704 -6.311 3.472 4.454 1.00 2.45 C ATOM 1794 O PRO A 704 -6.936 4.358 3.878 1.00 51.42 O ATOM 1795 CB PRO A 704 -4.663 2.515 2.809 1.00 62.25 C ATOM 1796 CG PRO A 704 -5.262 2.818 1.476 1.00 13.30 C ATOM 1797 CD PRO A 704 -6.568 2.064 1.399 1.00 21.42 C ATOM 0 HA PRO A 704 -5.628 1.487 4.507 1.00 14.44 H new ATOM 0 HB2 PRO A 704 -4.091 3.363 3.186 1.00 62.25 H new ATOM 0 HB3 PRO A 704 -3.978 1.669 2.751 1.00 62.25 H new ATOM 0 HG2 PRO A 704 -5.428 3.889 1.362 1.00 13.30 H new ATOM 0 HG3 PRO A 704 -4.592 2.512 0.673 1.00 13.30 H new ATOM 0 HD2 PRO A 704 -7.362 2.684 0.983 1.00 21.42 H new ATOM 0 HD3 PRO A 704 -6.483 1.184 0.761 1.00 21.42 H new ATOM 1805 N GLU A 705 -6.015 3.525 5.723 1.00 4.41 N ATOM 1806 CA GLU A 705 -6.331 4.652 6.563 1.00 72.41 C ATOM 1807 C GLU A 705 -5.087 5.129 7.286 1.00 72.45 C ATOM 1808 O GLU A 705 -4.199 4.351 7.548 1.00 41.21 O ATOM 1809 CB GLU A 705 -7.397 4.273 7.559 1.00 52.32 C ATOM 1810 CG GLU A 705 -8.733 3.931 6.936 1.00 72.23 C ATOM 1811 CD GLU A 705 -9.783 3.740 7.980 1.00 3.22 C ATOM 1812 OE1 GLU A 705 -9.882 2.654 8.553 1.00 42.13 O ATOM 1813 OE2 GLU A 705 -10.506 4.702 8.275 1.00 35.03 O ATOM 0 H GLU A 705 -5.537 2.770 6.215 1.00 4.41 H new ATOM 0 HA GLU A 705 -6.706 5.462 5.938 1.00 72.41 H new ATOM 0 HB2 GLU A 705 -7.049 3.418 8.139 1.00 52.32 H new ATOM 0 HB3 GLU A 705 -7.535 5.098 8.258 1.00 52.32 H new ATOM 0 HG2 GLU A 705 -9.034 4.727 6.255 1.00 72.23 H new ATOM 0 HG3 GLU A 705 -8.638 3.022 6.342 1.00 72.23 H new ATOM 1820 N TYR A 706 -5.043 6.381 7.624 1.00 3.50 N ATOM 1821 CA TYR A 706 -3.857 6.980 8.216 1.00 61.12 C ATOM 1822 C TYR A 706 -3.929 7.033 9.746 1.00 40.13 C ATOM 1823 O TYR A 706 -4.927 7.471 10.311 1.00 61.43 O ATOM 1824 CB TYR A 706 -3.684 8.389 7.624 1.00 13.30 C ATOM 1825 CG TYR A 706 -2.505 9.191 8.132 1.00 45.32 C ATOM 1826 CD1 TYR A 706 -1.223 8.663 8.150 1.00 42.03 C ATOM 1827 CD2 TYR A 706 -2.681 10.490 8.577 1.00 20.45 C ATOM 1828 CE1 TYR A 706 -0.159 9.408 8.598 1.00 13.22 C ATOM 1829 CE2 TYR A 706 -1.619 11.246 9.019 1.00 62.21 C ATOM 1830 CZ TYR A 706 -0.362 10.704 9.030 1.00 4.15 C ATOM 1831 OH TYR A 706 0.704 11.462 9.459 1.00 22.13 O ATOM 0 H TYR A 706 -5.822 7.028 7.503 1.00 3.50 H new ATOM 0 HA TYR A 706 -2.993 6.359 7.978 1.00 61.12 H new ATOM 0 HB2 TYR A 706 -3.594 8.296 6.542 1.00 13.30 H new ATOM 0 HB3 TYR A 706 -4.594 8.956 7.820 1.00 13.30 H new ATOM 0 HD1 TYR A 706 -1.059 7.652 7.807 1.00 42.03 H new ATOM 0 HD2 TYR A 706 -3.672 10.919 8.577 1.00 20.45 H new ATOM 0 HE1 TYR A 706 0.833 8.981 8.612 1.00 13.22 H new ATOM 0 HE2 TYR A 706 -1.776 12.260 9.355 1.00 62.21 H new ATOM 0 HH TYR A 706 1.422 11.424 8.793 1.00 22.13 H new ATOM 1841 N GLN A 707 -2.876 6.554 10.401 1.00 43.43 N ATOM 1842 CA GLN A 707 -2.750 6.679 11.841 1.00 14.41 C ATOM 1843 C GLN A 707 -1.452 7.398 12.167 1.00 13.15 C ATOM 1844 O GLN A 707 -0.347 6.863 11.974 1.00 24.25 O ATOM 1845 CB GLN A 707 -2.876 5.323 12.612 1.00 15.13 C ATOM 1846 CG GLN A 707 -1.854 4.252 12.311 1.00 60.44 C ATOM 1847 CD GLN A 707 -2.099 2.959 13.100 1.00 61.33 C ATOM 1848 OE1 GLN A 707 -3.234 2.599 13.409 1.00 72.32 O ATOM 1849 NE2 GLN A 707 -1.042 2.279 13.460 1.00 73.21 N ATOM 0 H GLN A 707 -2.097 6.074 9.951 1.00 43.43 H new ATOM 0 HA GLN A 707 -3.596 7.269 12.192 1.00 14.41 H new ATOM 0 HB2 GLN A 707 -2.833 5.538 13.680 1.00 15.13 H new ATOM 0 HB3 GLN A 707 -3.865 4.911 12.409 1.00 15.13 H new ATOM 0 HG2 GLN A 707 -1.870 4.030 11.244 1.00 60.44 H new ATOM 0 HG3 GLN A 707 -0.858 4.631 12.543 1.00 60.44 H new ATOM 0 HE21 GLN A 707 -0.112 2.600 13.190 1.00 73.21 H new ATOM 0 HE22 GLN A 707 -1.147 1.427 14.011 1.00 73.21 H new ATOM 1912 N SER A 712 7.750 10.376 12.018 1.00 23.21 N ATOM 1913 CA SER A 712 8.369 10.352 10.694 1.00 65.23 C ATOM 1914 C SER A 712 7.974 9.151 9.827 1.00 23.01 C ATOM 1915 O SER A 712 8.146 9.163 8.598 1.00 1.11 O ATOM 1916 CB SER A 712 9.894 10.556 10.787 1.00 55.31 C ATOM 1917 OG SER A 712 10.493 9.632 11.697 1.00 33.52 O ATOM 0 HA SER A 712 7.955 11.205 10.156 1.00 65.23 H new ATOM 0 HB2 SER A 712 10.339 10.435 9.799 1.00 55.31 H new ATOM 0 HB3 SER A 712 10.106 11.575 11.110 1.00 55.31 H new ATOM 0 HG SER A 712 9.881 9.465 12.444 1.00 33.52 H new ATOM 1923 N THR A 713 7.462 8.130 10.444 1.00 33.43 N ATOM 1924 CA THR A 713 7.005 6.986 9.729 1.00 62.33 C ATOM 1925 C THR A 713 5.474 6.956 9.751 1.00 41.32 C ATOM 1926 O THR A 713 4.861 6.636 10.763 1.00 72.12 O ATOM 1927 CB THR A 713 7.600 5.693 10.333 1.00 62.21 C ATOM 1928 OG1 THR A 713 9.040 5.823 10.362 1.00 0.32 O ATOM 1929 CG2 THR A 713 7.225 4.474 9.494 1.00 4.14 C ATOM 0 H THR A 713 7.351 8.070 11.456 1.00 33.43 H new ATOM 0 HA THR A 713 7.341 7.046 8.694 1.00 62.33 H new ATOM 0 HB THR A 713 7.201 5.554 11.338 1.00 62.21 H new ATOM 0 HG1 THR A 713 9.434 5.011 10.744 1.00 0.32 H new ATOM 0 HG21 THR A 713 7.656 3.578 9.941 1.00 4.14 H new ATOM 0 HG22 THR A 713 6.140 4.376 9.459 1.00 4.14 H new ATOM 0 HG23 THR A 713 7.611 4.596 8.482 1.00 4.14 H new ATOM 1935 N TYR A 714 4.883 7.336 8.645 1.00 71.21 N ATOM 1936 CA TYR A 714 3.441 7.400 8.500 1.00 44.44 C ATOM 1937 C TYR A 714 2.873 5.984 8.522 1.00 1.42 C ATOM 1938 O TYR A 714 3.225 5.151 7.677 1.00 72.21 O ATOM 1939 CB TYR A 714 3.075 8.105 7.177 1.00 25.52 C ATOM 1940 CG TYR A 714 3.497 9.582 7.062 1.00 53.04 C ATOM 1941 CD1 TYR A 714 4.835 9.973 7.118 1.00 53.41 C ATOM 1942 CD2 TYR A 714 2.547 10.581 6.878 1.00 70.53 C ATOM 1943 CE1 TYR A 714 5.201 11.300 6.997 1.00 64.42 C ATOM 1944 CE2 TYR A 714 2.911 11.911 6.750 1.00 14.20 C ATOM 1945 CZ TYR A 714 4.238 12.261 6.813 1.00 72.14 C ATOM 1946 OH TYR A 714 4.609 13.587 6.656 1.00 51.32 O ATOM 0 H TYR A 714 5.393 7.614 7.806 1.00 71.21 H new ATOM 0 HA TYR A 714 3.014 7.972 9.324 1.00 44.44 H new ATOM 0 HB2 TYR A 714 3.530 7.552 6.355 1.00 25.52 H new ATOM 0 HB3 TYR A 714 1.995 8.044 7.042 1.00 25.52 H new ATOM 0 HD1 TYR A 714 5.600 9.224 7.259 1.00 53.41 H new ATOM 0 HD2 TYR A 714 1.502 10.313 6.834 1.00 70.53 H new ATOM 0 HE1 TYR A 714 6.243 11.581 7.047 1.00 64.42 H new ATOM 0 HE2 TYR A 714 2.156 12.669 6.601 1.00 14.20 H new ATOM 0 HH TYR A 714 5.439 13.755 7.149 1.00 51.32 H new ATOM 1956 N ASN A 715 2.017 5.699 9.484 1.00 13.25 N ATOM 1957 CA ASN A 715 1.490 4.357 9.633 1.00 53.24 C ATOM 1958 C ASN A 715 0.109 4.304 9.008 1.00 24.43 C ATOM 1959 O ASN A 715 -0.733 5.169 9.263 1.00 71.05 O ATOM 1960 CB ASN A 715 1.344 3.993 11.112 1.00 34.04 C ATOM 1961 CG ASN A 715 1.489 2.487 11.421 1.00 54.42 C ATOM 1962 OD1 ASN A 715 1.940 2.119 12.506 1.00 30.14 O ATOM 1963 ND2 ASN A 715 1.120 1.620 10.497 1.00 52.53 N ATOM 0 H ASN A 715 1.674 6.373 10.169 1.00 13.25 H new ATOM 0 HA ASN A 715 2.176 3.660 9.151 1.00 53.24 H new ATOM 0 HB2 ASN A 715 2.093 4.541 11.683 1.00 34.04 H new ATOM 0 HB3 ASN A 715 0.368 4.330 11.461 1.00 34.04 H new ATOM 0 HD21 ASN A 715 1.205 0.619 10.674 1.00 52.53 H new ATOM 0 HD22 ASN A 715 0.749 1.951 9.606 1.00 52.53 H new ATOM 1969 N PHE A 716 -0.124 3.322 8.192 1.00 14.23 N ATOM 1970 CA PHE A 716 -1.409 3.148 7.576 1.00 42.41 C ATOM 1971 C PHE A 716 -2.079 1.850 7.975 1.00 20.43 C ATOM 1972 O PHE A 716 -1.429 0.818 8.111 1.00 25.45 O ATOM 1973 CB PHE A 716 -1.308 3.299 6.061 1.00 3.34 C ATOM 1974 CG PHE A 716 -1.087 4.724 5.640 1.00 61.31 C ATOM 1975 CD1 PHE A 716 0.185 5.266 5.596 1.00 62.43 C ATOM 1976 CD2 PHE A 716 -2.161 5.526 5.301 1.00 71.32 C ATOM 1977 CE1 PHE A 716 0.379 6.579 5.216 1.00 13.50 C ATOM 1978 CE2 PHE A 716 -1.972 6.837 4.919 1.00 45.25 C ATOM 1979 CZ PHE A 716 -0.701 7.362 4.879 1.00 71.13 C ATOM 0 H PHE A 716 0.568 2.619 7.933 1.00 14.23 H new ATOM 0 HA PHE A 716 -2.055 3.942 7.950 1.00 42.41 H new ATOM 0 HB2 PHE A 716 -0.489 2.683 5.691 1.00 3.34 H new ATOM 0 HB3 PHE A 716 -2.222 2.924 5.600 1.00 3.34 H new ATOM 0 HD1 PHE A 716 1.035 4.656 5.862 1.00 62.43 H new ATOM 0 HD2 PHE A 716 -3.161 5.120 5.336 1.00 71.32 H new ATOM 0 HE1 PHE A 716 1.377 6.991 5.183 1.00 13.50 H new ATOM 0 HE2 PHE A 716 -2.820 7.450 4.652 1.00 45.25 H new ATOM 0 HZ PHE A 716 -0.551 8.390 4.583 1.00 71.13 H new ATOM 1989 N ARG A 717 -3.375 1.931 8.185 1.00 24.45 N ATOM 1990 CA ARG A 717 -4.203 0.797 8.528 1.00 73.14 C ATOM 1991 C ARG A 717 -4.845 0.307 7.282 1.00 42.41 C ATOM 1992 O ARG A 717 -5.524 1.053 6.610 1.00 14.11 O ATOM 1993 CB ARG A 717 -5.321 1.194 9.487 1.00 22.20 C ATOM 1994 CG ARG A 717 -4.860 1.828 10.757 1.00 10.42 C ATOM 1995 CD ARG A 717 -6.037 2.146 11.687 1.00 31.02 C ATOM 1996 NE ARG A 717 -7.067 3.014 11.058 1.00 3.11 N ATOM 1997 CZ ARG A 717 -7.809 3.935 11.726 1.00 71.53 C ATOM 1998 NH1 ARG A 717 -7.574 4.172 13.014 1.00 5.30 N ATOM 1999 NH2 ARG A 717 -8.778 4.611 11.094 1.00 74.14 N ATOM 0 H ARG A 717 -3.893 2.807 8.120 1.00 24.45 H new ATOM 0 HA ARG A 717 -3.577 0.041 9.002 1.00 73.14 H new ATOM 0 HB2 ARG A 717 -5.992 1.884 8.975 1.00 22.20 H new ATOM 0 HB3 ARG A 717 -5.904 0.306 9.731 1.00 22.20 H new ATOM 0 HG2 ARG A 717 -4.163 1.162 11.265 1.00 10.42 H new ATOM 0 HG3 ARG A 717 -4.316 2.745 10.530 1.00 10.42 H new ATOM 0 HD2 ARG A 717 -6.503 1.213 12.004 1.00 31.02 H new ATOM 0 HD3 ARG A 717 -5.659 2.635 12.585 1.00 31.02 H new ATOM 0 HE ARG A 717 -7.228 2.911 10.056 1.00 3.11 H new ATOM 0 HH11 ARG A 717 -6.836 3.662 13.500 1.00 5.30 H new ATOM 0 HH12 ARG A 717 -8.131 4.864 13.515 1.00 5.30 H new ATOM 0 HH21 ARG A 717 -8.962 4.435 10.106 1.00 74.14 H new ATOM 0 HH22 ARG A 717 -9.332 5.301 11.601 1.00 74.14 H new ATOM 2011 N TRP A 718 -4.634 -0.893 6.973 1.00 50.51 N ATOM 2012 CA TRP A 718 -5.218 -1.475 5.797 1.00 43.25 C ATOM 2013 C TRP A 718 -5.945 -2.729 6.226 1.00 30.14 C ATOM 2014 O TRP A 718 -5.329 -3.671 6.704 1.00 52.35 O ATOM 2015 CB TRP A 718 -4.120 -1.809 4.784 1.00 60.44 C ATOM 2016 CG TRP A 718 -4.593 -2.153 3.394 1.00 32.21 C ATOM 2017 CD1 TRP A 718 -5.505 -3.100 3.033 1.00 44.12 C ATOM 2018 CD2 TRP A 718 -4.118 -1.573 2.166 1.00 31.11 C ATOM 2019 NE1 TRP A 718 -5.646 -3.127 1.670 1.00 34.21 N ATOM 2020 CE2 TRP A 718 -4.806 -2.206 1.116 1.00 14.10 C ATOM 2021 CE3 TRP A 718 -3.181 -0.575 1.853 1.00 14.30 C ATOM 2022 CZ2 TRP A 718 -4.593 -1.880 -0.215 1.00 72.44 C ATOM 2023 CZ3 TRP A 718 -2.975 -0.256 0.530 1.00 33.04 C ATOM 2024 CH2 TRP A 718 -3.674 -0.907 -0.486 1.00 61.22 C ATOM 0 H TRP A 718 -4.050 -1.529 7.516 1.00 50.51 H new ATOM 0 HA TRP A 718 -5.912 -0.782 5.321 1.00 43.25 H new ATOM 0 HB2 TRP A 718 -3.443 -0.958 4.717 1.00 60.44 H new ATOM 0 HB3 TRP A 718 -3.540 -2.648 5.168 1.00 60.44 H new ATOM 0 HD1 TRP A 718 -6.039 -3.737 3.722 1.00 44.12 H new ATOM 0 HE1 TRP A 718 -6.278 -3.738 1.153 1.00 34.21 H new ATOM 0 HE3 TRP A 718 -2.633 -0.068 2.634 1.00 14.30 H new ATOM 0 HZ2 TRP A 718 -5.133 -2.377 -1.007 1.00 72.44 H new ATOM 0 HZ3 TRP A 718 -2.260 0.512 0.274 1.00 33.04 H new ATOM 0 HH2 TRP A 718 -3.484 -0.635 -1.514 1.00 61.22 H new ATOM 2035 N TYR A 719 -7.233 -2.724 6.102 1.00 33.01 N ATOM 2036 CA TYR A 719 -8.021 -3.873 6.477 1.00 12.33 C ATOM 2037 C TYR A 719 -8.394 -4.635 5.243 1.00 2.33 C ATOM 2038 O TYR A 719 -9.182 -4.164 4.448 1.00 75.12 O ATOM 2039 CB TYR A 719 -9.271 -3.433 7.243 1.00 34.31 C ATOM 2040 CG TYR A 719 -8.951 -2.718 8.532 1.00 75.43 C ATOM 2041 CD1 TYR A 719 -8.747 -3.431 9.694 1.00 55.53 C ATOM 2042 CD2 TYR A 719 -8.843 -1.333 8.583 1.00 21.21 C ATOM 2043 CE1 TYR A 719 -8.445 -2.792 10.878 1.00 50.22 C ATOM 2044 CE2 TYR A 719 -8.541 -0.685 9.764 1.00 13.11 C ATOM 2045 CZ TYR A 719 -8.342 -1.425 10.910 1.00 31.03 C ATOM 2046 OH TYR A 719 -8.026 -0.789 12.094 1.00 2.43 O ATOM 0 H TYR A 719 -7.772 -1.936 5.743 1.00 33.01 H new ATOM 0 HA TYR A 719 -7.437 -4.519 7.133 1.00 12.33 H new ATOM 0 HB2 TYR A 719 -9.867 -2.777 6.608 1.00 34.31 H new ATOM 0 HB3 TYR A 719 -9.883 -4.308 7.462 1.00 34.31 H new ATOM 0 HD1 TYR A 719 -8.825 -4.508 9.677 1.00 55.53 H new ATOM 0 HD2 TYR A 719 -8.998 -0.755 7.684 1.00 21.21 H new ATOM 0 HE1 TYR A 719 -8.290 -3.367 11.779 1.00 50.22 H new ATOM 0 HE2 TYR A 719 -8.461 0.392 9.790 1.00 13.11 H new ATOM 0 HH TYR A 719 -7.467 -1.378 12.643 1.00 2.43 H new ATOM 2056 N THR A 720 -7.796 -5.776 5.060 1.00 4.10 N ATOM 2057 CA THR A 720 -8.032 -6.572 3.879 1.00 31.32 C ATOM 2058 C THR A 720 -8.226 -8.054 4.206 1.00 4.23 C ATOM 2059 O THR A 720 -7.589 -8.587 5.120 1.00 41.21 O ATOM 2060 CB THR A 720 -6.909 -6.380 2.825 1.00 73.30 C ATOM 2061 OG1 THR A 720 -7.154 -7.180 1.673 1.00 23.30 O ATOM 2062 CG2 THR A 720 -5.549 -6.711 3.386 1.00 74.05 C ATOM 0 H THR A 720 -7.133 -6.184 5.719 1.00 4.10 H new ATOM 0 HA THR A 720 -8.965 -6.212 3.446 1.00 31.32 H new ATOM 0 HB THR A 720 -6.916 -5.327 2.543 1.00 73.30 H new ATOM 0 HG1 THR A 720 -7.161 -6.611 0.875 1.00 23.30 H new ATOM 0 HG21 THR A 720 -4.792 -6.563 2.616 1.00 74.05 H new ATOM 0 HG22 THR A 720 -5.337 -6.059 4.233 1.00 74.05 H new ATOM 0 HG23 THR A 720 -5.534 -7.750 3.715 1.00 74.05 H new ATOM 2068 N SER A 721 -9.114 -8.700 3.477 1.00 73.24 N ATOM 2069 CA SER A 721 -9.350 -10.123 3.609 1.00 1.34 C ATOM 2070 C SER A 721 -8.157 -10.919 3.052 1.00 42.23 C ATOM 2071 O SER A 721 -7.898 -12.069 3.452 1.00 63.04 O ATOM 2072 CB SER A 721 -10.667 -10.495 2.918 1.00 5.20 C ATOM 2073 OG SER A 721 -10.716 -9.973 1.591 1.00 34.35 O ATOM 0 H SER A 721 -9.696 -8.249 2.771 1.00 73.24 H new ATOM 0 HA SER A 721 -9.443 -10.382 4.664 1.00 1.34 H new ATOM 0 HB2 SER A 721 -10.773 -11.579 2.890 1.00 5.20 H new ATOM 0 HB3 SER A 721 -11.506 -10.108 3.496 1.00 5.20 H new ATOM 0 HG SER A 721 -11.483 -9.369 1.505 1.00 34.35 H new ATOM 2079 N TYR A 722 -7.422 -10.281 2.142 1.00 32.14 N ATOM 2080 CA TYR A 722 -6.254 -10.874 1.493 1.00 23.43 C ATOM 2081 C TYR A 722 -5.106 -11.128 2.486 1.00 51.15 C ATOM 2082 O TYR A 722 -4.147 -11.828 2.171 1.00 53.32 O ATOM 2083 CB TYR A 722 -5.764 -9.975 0.347 1.00 64.34 C ATOM 2084 CG TYR A 722 -6.727 -9.862 -0.823 1.00 2.02 C ATOM 2085 CD1 TYR A 722 -7.862 -9.071 -0.751 1.00 15.30 C ATOM 2086 CD2 TYR A 722 -6.486 -10.544 -2.000 1.00 13.41 C ATOM 2087 CE1 TYR A 722 -8.728 -8.966 -1.818 1.00 22.12 C ATOM 2088 CE2 TYR A 722 -7.345 -10.444 -3.073 1.00 23.22 C ATOM 2089 CZ TYR A 722 -8.468 -9.652 -2.977 1.00 21.24 C ATOM 2090 OH TYR A 722 -9.335 -9.542 -4.050 1.00 62.05 O ATOM 0 H TYR A 722 -7.622 -9.330 1.832 1.00 32.14 H new ATOM 0 HA TYR A 722 -6.565 -11.839 1.092 1.00 23.43 H new ATOM 0 HB2 TYR A 722 -5.573 -8.977 0.742 1.00 64.34 H new ATOM 0 HB3 TYR A 722 -4.812 -10.361 -0.018 1.00 64.34 H new ATOM 0 HD1 TYR A 722 -8.072 -8.527 0.158 1.00 15.30 H new ATOM 0 HD2 TYR A 722 -5.608 -11.167 -2.081 1.00 13.41 H new ATOM 0 HE1 TYR A 722 -9.609 -8.345 -1.742 1.00 22.12 H new ATOM 0 HE2 TYR A 722 -7.139 -10.984 -3.985 1.00 23.22 H new ATOM 0 HH TYR A 722 -9.006 -10.089 -4.794 1.00 62.05 H new ATOM 2100 N ALA A 723 -5.211 -10.555 3.685 1.00 40.23 N ATOM 2101 CA ALA A 723 -4.191 -10.727 4.713 1.00 74.20 C ATOM 2102 C ALA A 723 -4.368 -12.047 5.497 1.00 14.51 C ATOM 2103 O ALA A 723 -3.576 -12.353 6.399 1.00 23.35 O ATOM 2104 CB ALA A 723 -4.171 -9.528 5.651 1.00 21.24 C ATOM 0 H ALA A 723 -5.995 -9.967 3.966 1.00 40.23 H new ATOM 0 HA ALA A 723 -3.227 -10.789 4.209 1.00 74.20 H new ATOM 0 HB1 ALA A 723 -3.404 -9.674 6.412 1.00 21.24 H new ATOM 0 HB2 ALA A 723 -3.951 -8.625 5.082 1.00 21.24 H new ATOM 0 HB3 ALA A 723 -5.144 -9.426 6.132 1.00 21.24 H new ATOM 2110 N CYS A 724 -5.396 -12.810 5.163 1.00 14.20 N ATOM 2111 CA CYS A 724 -5.613 -14.121 5.775 1.00 12.20 C ATOM 2112 C CYS A 724 -5.269 -15.220 4.798 1.00 54.12 C ATOM 2113 O CYS A 724 -5.667 -15.158 3.634 1.00 71.30 O ATOM 2114 CB CYS A 724 -7.064 -14.325 6.246 1.00 72.35 C ATOM 2115 SG CYS A 724 -7.555 -13.371 7.712 1.00 60.43 S ATOM 0 H CYS A 724 -6.097 -12.548 4.470 1.00 14.20 H new ATOM 0 HA CYS A 724 -4.962 -14.162 6.648 1.00 12.20 H new ATOM 0 HB2 CYS A 724 -7.733 -14.066 5.425 1.00 72.35 H new ATOM 0 HB3 CYS A 724 -7.213 -15.384 6.457 1.00 72.35 H new ATOM 2120 N PRO A 725 -4.509 -16.230 5.235 1.00 42.14 N ATOM 2121 CA PRO A 725 -4.180 -17.359 4.403 1.00 14.45 C ATOM 2122 C PRO A 725 -5.266 -18.438 4.493 1.00 13.01 C ATOM 2123 O PRO A 725 -6.268 -18.338 3.760 1.00 37.37 O ATOM 2124 CB PRO A 725 -2.857 -17.853 4.992 1.00 1.14 C ATOM 2125 CG PRO A 725 -2.881 -17.443 6.438 1.00 62.55 C ATOM 2126 CD PRO A 725 -3.898 -16.334 6.578 1.00 72.45 C ATOM 2127 OXT PRO A 725 -5.144 -19.367 5.327 1.00 37.37 O ATOM 0 HA PRO A 725 -4.105 -17.108 3.345 1.00 14.45 H new ATOM 0 HB2 PRO A 725 -2.763 -18.934 4.893 1.00 1.14 H new ATOM 0 HB3 PRO A 725 -2.007 -17.410 4.473 1.00 1.14 H new ATOM 0 HG2 PRO A 725 -3.146 -18.289 7.072 1.00 62.55 H new ATOM 0 HG3 PRO A 725 -1.896 -17.102 6.757 1.00 62.55 H new ATOM 0 HD2 PRO A 725 -4.643 -16.571 7.337 1.00 72.45 H new ATOM 0 HD3 PRO A 725 -3.427 -15.397 6.875 1.00 72.45 H new