USER MOD reduce.3.24.130724 H: found=0, std=0, add=605, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 607 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 652 SER OG : rot -127:sc= 1.05 USER MOD Set 1.2: A 658 SER OG : rot 75:sc= 2.03 USER MOD Single : A 599 ASN : amide:sc= -1.16! K(o=-1.2!,f=0.018) USER MOD Single : A 601 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 602 GLN : amide:sc= -0.787 X(o=-0.79,f=-0.47) USER MOD Single : A 603 SER OG : rot 180:sc= 0 USER MOD Single : A 608 THR OG1 : rot 180:sc=-0.00451 USER MOD Single : A 609 CYS SG : rot 90:sc= -6.78! USER MOD Single : A 613 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 615 THR OG1 : rot 180:sc= 0 USER MOD Single : A 617 TYR OH : rot 180:sc= 0 USER MOD Single : A 618 LYS NZ :NH3+ -118:sc= -0.126 (180deg=-1.75!) USER MOD Single : A 622 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 623 GLN : amide:sc= -0.386 K(o=-0.39,f=-2.7!) USER MOD Single : A 625 THR OG1 : rot -56:sc= 1.04 USER MOD Single : A 626 SER OG : rot 180:sc= 0 USER MOD Single : A 627 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 628 LYS NZ :NH3+ 150:sc= -0.455 (180deg=-1.53!) USER MOD Single : A 629 CYS SG : rot 180:sc= -1.66! USER MOD Single : A 631 GLN : amide:sc= 0 X(o=0,f=-0.14) USER MOD Single : A 632 SER OG : rot -168:sc= 0.519 USER MOD Single : A 636 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 639 THR OG1 : rot 180:sc= 0.0395 USER MOD Single : A 653 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 654 ASN : amide:sc= -0.786 K(o=-0.79,f=-0.069) USER MOD Single : A 656 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 661 CYS SG : rot -5:sc= -2.05! USER MOD Single : A 664 TYR OH : rot 180:sc= 0 USER MOD Single : A 665 THR OG1 : rot -140:sc= 0 USER MOD Single : A 667 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 670 MET CE :methyl -158:sc= -0.0997 (180deg=-0.66) USER MOD Single : A 672 ASN : amide:sc= -2.09! K(o=-2.1!,f=-1.6) USER MOD Single : A 673 LYS NZ :NH3+ -152:sc= -0.16 (180deg=-0.687) USER MOD ----------------------------------------------------------------- ATOM 61 N ILE A 598 6.959 -6.484 7.642 1.00 0.87 N ATOM 62 CA ILE A 598 5.763 -6.925 6.933 1.00 0.64 C ATOM 63 C ILE A 598 6.123 -7.804 5.739 1.00 0.66 C ATOM 64 O ILE A 598 6.513 -7.306 4.683 1.00 0.79 O ATOM 65 CB ILE A 598 4.923 -5.725 6.448 1.00 0.49 C ATOM 66 CG1 ILE A 598 4.655 -4.745 7.598 1.00 0.69 C ATOM 67 CG2 ILE A 598 3.613 -6.203 5.840 1.00 0.35 C ATOM 68 CD1 ILE A 598 4.224 -5.412 8.889 1.00 0.83 C ATOM 0 HA ILE A 598 5.172 -7.508 7.639 1.00 0.64 H new ATOM 0 HB ILE A 598 5.491 -5.201 5.680 1.00 0.49 H new ATOM 0 HG12 ILE A 598 5.558 -4.165 7.785 1.00 0.69 H new ATOM 0 HG13 ILE A 598 3.882 -4.041 7.289 1.00 0.69 H new ATOM 0 HG21 ILE A 598 3.033 -5.344 5.503 1.00 0.35 H new ATOM 0 HG22 ILE A 598 3.822 -6.855 4.992 1.00 0.35 H new ATOM 0 HG23 ILE A 598 3.044 -6.754 6.589 1.00 0.35 H new ATOM 0 HD11 ILE A 598 4.054 -4.652 9.652 1.00 0.83 H new ATOM 0 HD12 ILE A 598 3.303 -5.969 8.721 1.00 0.83 H new ATOM 0 HD13 ILE A 598 5.005 -6.095 9.224 1.00 0.83 H new ATOM 80 N ASN A 599 5.984 -9.115 5.916 1.00 0.73 N ATOM 81 CA ASN A 599 6.290 -10.070 4.855 1.00 0.83 C ATOM 82 C ASN A 599 5.390 -9.839 3.650 1.00 0.95 C ATOM 83 O ASN A 599 4.190 -10.112 3.696 1.00 1.52 O ATOM 84 CB ASN A 599 6.121 -11.504 5.362 1.00 0.98 C ATOM 85 CG ASN A 599 6.499 -11.652 6.822 1.00 1.45 C ATOM 86 OD1 ASN A 599 7.645 -11.958 7.151 1.00 2.10 O ATOM 87 ND2 ASN A 599 5.533 -11.439 7.708 1.00 2.19 N ATOM 0 H ASN A 599 5.661 -9.541 6.785 1.00 0.73 H new ATOM 0 HA ASN A 599 7.326 -9.921 4.552 1.00 0.83 H new ATOM 0 HB2 ASN A 599 5.085 -11.815 5.225 1.00 0.98 H new ATOM 0 HB3 ASN A 599 6.737 -12.173 4.761 1.00 0.98 H new ATOM 0 HD21 ASN A 599 5.727 -11.527 8.705 1.00 2.19 H new ATOM 0 HD22 ASN A 599 4.597 -11.187 7.391 1.00 2.19 H new ATOM 94 N PHE A 600 5.975 -9.329 2.572 1.00 0.69 N ATOM 95 CA PHE A 600 5.227 -9.053 1.354 1.00 0.82 C ATOM 96 C PHE A 600 5.108 -10.300 0.482 1.00 0.89 C ATOM 97 O PHE A 600 4.484 -10.268 -0.580 1.00 1.04 O ATOM 98 CB PHE A 600 5.890 -7.915 0.573 1.00 0.93 C ATOM 99 CG PHE A 600 7.226 -8.276 -0.016 1.00 1.05 C ATOM 100 CD1 PHE A 600 8.365 -8.293 0.775 1.00 1.38 C ATOM 101 CD2 PHE A 600 7.342 -8.600 -1.357 1.00 1.21 C ATOM 102 CE1 PHE A 600 9.593 -8.628 0.238 1.00 1.92 C ATOM 103 CE2 PHE A 600 8.567 -8.935 -1.900 1.00 1.63 C ATOM 104 CZ PHE A 600 9.696 -8.936 -1.106 1.00 2.02 C ATOM 0 H PHE A 600 6.967 -9.098 2.518 1.00 0.69 H new ATOM 0 HA PHE A 600 4.220 -8.748 1.638 1.00 0.82 H new ATOM 0 HB2 PHE A 600 5.223 -7.602 -0.230 1.00 0.93 H new ATOM 0 HB3 PHE A 600 6.016 -7.058 1.235 1.00 0.93 H new ATOM 0 HD1 PHE A 600 8.291 -8.041 1.823 1.00 1.38 H new ATOM 0 HD2 PHE A 600 6.464 -8.591 -1.986 1.00 1.21 H new ATOM 0 HE1 PHE A 600 10.471 -8.649 0.867 1.00 1.92 H new ATOM 0 HE2 PHE A 600 8.641 -9.196 -2.945 1.00 1.63 H new ATOM 0 HZ PHE A 600 10.658 -9.177 -1.534 1.00 2.02 H new ATOM 114 N LYS A 601 5.708 -11.397 0.934 1.00 0.87 N ATOM 115 CA LYS A 601 5.667 -12.652 0.190 1.00 1.02 C ATOM 116 C LYS A 601 4.327 -13.359 0.374 1.00 0.99 C ATOM 117 O LYS A 601 4.113 -14.449 -0.158 1.00 1.13 O ATOM 118 CB LYS A 601 6.810 -13.569 0.629 1.00 1.16 C ATOM 119 CG LYS A 601 8.201 -13.043 0.284 1.00 1.16 C ATOM 120 CD LYS A 601 8.222 -12.238 -1.011 1.00 1.78 C ATOM 121 CE LYS A 601 8.023 -13.126 -2.229 1.00 2.40 C ATOM 122 NZ LYS A 601 8.865 -12.688 -3.376 1.00 3.20 N ATOM 0 H LYS A 601 6.228 -11.443 1.810 1.00 0.87 H new ATOM 0 HA LYS A 601 5.785 -12.418 -0.868 1.00 1.02 H new ATOM 0 HB2 LYS A 601 6.747 -13.719 1.707 1.00 1.16 H new ATOM 0 HB3 LYS A 601 6.677 -14.545 0.163 1.00 1.16 H new ATOM 0 HG2 LYS A 601 8.562 -12.418 1.101 1.00 1.16 H new ATOM 0 HG3 LYS A 601 8.891 -13.882 0.196 1.00 1.16 H new ATOM 0 HD2 LYS A 601 7.439 -11.480 -0.981 1.00 1.78 H new ATOM 0 HD3 LYS A 601 9.172 -11.711 -1.096 1.00 1.78 H new ATOM 0 HE2 LYS A 601 8.267 -14.157 -1.971 1.00 2.40 H new ATOM 0 HE3 LYS A 601 6.973 -13.111 -2.522 1.00 2.40 H new ATOM 0 HZ1 LYS A 601 8.701 -13.318 -4.187 1.00 3.20 H new ATOM 0 HZ2 LYS A 601 8.614 -11.713 -3.638 1.00 3.20 H new ATOM 0 HZ3 LYS A 601 9.868 -12.726 -3.105 1.00 3.20 H new ATOM 136 N GLN A 602 3.429 -12.733 1.129 1.00 0.85 N ATOM 137 CA GLN A 602 2.111 -13.306 1.380 1.00 0.89 C ATOM 138 C GLN A 602 1.126 -12.905 0.287 1.00 0.98 C ATOM 139 O GLN A 602 1.290 -11.871 -0.361 1.00 1.98 O ATOM 140 CB GLN A 602 1.585 -12.860 2.746 1.00 0.87 C ATOM 141 CG GLN A 602 2.597 -13.013 3.874 1.00 0.78 C ATOM 142 CD GLN A 602 3.513 -14.207 3.686 1.00 0.99 C ATOM 143 OE1 GLN A 602 3.067 -15.354 3.689 1.00 1.25 O ATOM 144 NE2 GLN A 602 4.804 -13.941 3.518 1.00 1.15 N ATOM 0 H GLN A 602 3.590 -11.831 1.577 1.00 0.85 H new ATOM 0 HA GLN A 602 2.210 -14.392 1.375 1.00 0.89 H new ATOM 0 HB2 GLN A 602 1.279 -11.816 2.684 1.00 0.87 H new ATOM 0 HB3 GLN A 602 0.694 -13.439 2.989 1.00 0.87 H new ATOM 0 HG2 GLN A 602 3.199 -12.107 3.941 1.00 0.78 H new ATOM 0 HG3 GLN A 602 2.066 -13.114 4.821 1.00 0.78 H new ATOM 0 HE21 GLN A 602 5.130 -12.975 3.522 1.00 1.15 H new ATOM 0 HE22 GLN A 602 5.469 -14.703 3.385 1.00 1.15 H new ATOM 153 N SER A 603 0.103 -13.731 0.088 1.00 0.46 N ATOM 154 CA SER A 603 -0.908 -13.464 -0.929 1.00 0.46 C ATOM 155 C SER A 603 -1.801 -12.295 -0.525 1.00 0.42 C ATOM 156 O SER A 603 -2.515 -11.734 -1.354 1.00 0.55 O ATOM 157 CB SER A 603 -1.762 -14.711 -1.171 1.00 0.52 C ATOM 158 OG SER A 603 -0.987 -15.763 -1.718 1.00 1.06 O ATOM 0 H SER A 603 -0.047 -14.590 0.617 1.00 0.46 H new ATOM 0 HA SER A 603 -0.391 -13.198 -1.851 1.00 0.46 H new ATOM 0 HB2 SER A 603 -2.210 -15.036 -0.232 1.00 0.52 H new ATOM 0 HB3 SER A 603 -2.581 -14.469 -1.848 1.00 0.52 H new ATOM 0 HG SER A 603 -1.556 -16.548 -1.861 1.00 1.06 H new ATOM 164 N GLU A 604 -1.759 -11.934 0.755 1.00 0.31 N ATOM 165 CA GLU A 604 -2.569 -10.830 1.261 1.00 0.30 C ATOM 166 C GLU A 604 -1.779 -9.969 2.242 1.00 0.27 C ATOM 167 O GLU A 604 -1.337 -10.447 3.287 1.00 0.38 O ATOM 168 CB GLU A 604 -3.835 -11.361 1.940 1.00 0.35 C ATOM 169 CG GLU A 604 -4.587 -12.393 1.113 1.00 0.51 C ATOM 170 CD GLU A 604 -5.765 -12.990 1.858 1.00 0.82 C ATOM 171 OE1 GLU A 604 -6.839 -12.352 1.878 1.00 1.26 O ATOM 172 OE2 GLU A 604 -5.613 -14.094 2.423 1.00 1.48 O ATOM 0 H GLU A 604 -1.175 -12.388 1.458 1.00 0.31 H new ATOM 0 HA GLU A 604 -2.852 -10.210 0.410 1.00 0.30 H new ATOM 0 HB2 GLU A 604 -3.564 -11.804 2.898 1.00 0.35 H new ATOM 0 HB3 GLU A 604 -4.500 -10.524 2.153 1.00 0.35 H new ATOM 0 HG2 GLU A 604 -4.941 -11.928 0.193 1.00 0.51 H new ATOM 0 HG3 GLU A 604 -3.903 -13.191 0.824 1.00 0.51 H new ATOM 179 N LEU A 605 -1.613 -8.694 1.900 1.00 0.20 N ATOM 180 CA LEU A 605 -0.885 -7.756 2.748 1.00 0.22 C ATOM 181 C LEU A 605 -1.854 -6.808 3.453 1.00 0.19 C ATOM 182 O LEU A 605 -2.782 -6.293 2.835 1.00 0.24 O ATOM 183 CB LEU A 605 0.116 -6.953 1.914 1.00 0.27 C ATOM 184 CG LEU A 605 1.472 -6.713 2.578 1.00 0.38 C ATOM 185 CD1 LEU A 605 2.218 -8.025 2.750 1.00 1.26 C ATOM 186 CD2 LEU A 605 2.299 -5.730 1.763 1.00 1.04 C ATOM 0 H LEU A 605 -1.975 -8.286 1.038 1.00 0.20 H new ATOM 0 HA LEU A 605 -0.342 -8.326 3.502 1.00 0.22 H new ATOM 0 HB2 LEU A 605 0.279 -7.474 0.970 1.00 0.27 H new ATOM 0 HB3 LEU A 605 -0.328 -5.987 1.673 1.00 0.27 H new ATOM 0 HG LEU A 605 1.302 -6.282 3.565 1.00 0.38 H new ATOM 0 HD11 LEU A 605 3.181 -7.836 3.224 1.00 1.26 H new ATOM 0 HD12 LEU A 605 1.631 -8.698 3.375 1.00 1.26 H new ATOM 0 HD13 LEU A 605 2.378 -8.483 1.774 1.00 1.26 H new ATOM 0 HD21 LEU A 605 3.261 -5.571 2.251 1.00 1.04 H new ATOM 0 HD22 LEU A 605 2.461 -6.132 0.763 1.00 1.04 H new ATOM 0 HD23 LEU A 605 1.768 -4.781 1.690 1.00 1.04 H new ATOM 198 N PRO A 606 -1.659 -6.566 4.761 1.00 0.21 N ATOM 199 CA PRO A 606 -2.533 -5.677 5.532 1.00 0.21 C ATOM 200 C PRO A 606 -2.264 -4.202 5.249 1.00 0.20 C ATOM 201 O PRO A 606 -1.114 -3.782 5.125 1.00 0.34 O ATOM 202 CB PRO A 606 -2.180 -6.018 6.979 1.00 0.28 C ATOM 203 CG PRO A 606 -0.758 -6.456 6.923 1.00 0.44 C ATOM 204 CD PRO A 606 -0.579 -7.137 5.591 1.00 0.33 C ATOM 0 HA PRO A 606 -3.585 -5.821 5.285 1.00 0.21 H new ATOM 0 HB2 PRO A 606 -2.304 -5.154 7.632 1.00 0.28 H new ATOM 0 HB3 PRO A 606 -2.823 -6.807 7.369 1.00 0.28 H new ATOM 0 HG2 PRO A 606 -0.085 -5.604 7.018 1.00 0.44 H new ATOM 0 HG3 PRO A 606 -0.528 -7.137 7.742 1.00 0.44 H new ATOM 0 HD2 PRO A 606 0.404 -6.934 5.166 1.00 0.33 H new ATOM 0 HD3 PRO A 606 -0.670 -8.220 5.679 1.00 0.33 H new ATOM 212 N VAL A 607 -3.337 -3.417 5.157 1.00 0.14 N ATOM 213 CA VAL A 607 -3.223 -1.987 4.898 1.00 0.13 C ATOM 214 C VAL A 607 -4.136 -1.196 5.826 1.00 0.10 C ATOM 215 O VAL A 607 -5.170 -1.697 6.268 1.00 0.11 O ATOM 216 CB VAL A 607 -3.569 -1.641 3.436 1.00 0.18 C ATOM 217 CG1 VAL A 607 -2.355 -1.829 2.541 1.00 0.37 C ATOM 218 CG2 VAL A 607 -4.737 -2.483 2.945 1.00 0.31 C ATOM 0 H VAL A 607 -4.296 -3.751 5.259 1.00 0.14 H new ATOM 0 HA VAL A 607 -2.184 -1.714 5.084 1.00 0.13 H new ATOM 0 HB VAL A 607 -3.866 -0.593 3.393 1.00 0.18 H new ATOM 0 HG11 VAL A 607 -2.619 -1.580 1.513 1.00 0.37 H new ATOM 0 HG12 VAL A 607 -1.550 -1.176 2.878 1.00 0.37 H new ATOM 0 HG13 VAL A 607 -2.024 -2.866 2.590 1.00 0.37 H new ATOM 0 HG21 VAL A 607 -4.964 -2.222 1.911 1.00 0.31 H new ATOM 0 HG22 VAL A 607 -4.474 -3.539 3.004 1.00 0.31 H new ATOM 0 HG23 VAL A 607 -5.611 -2.292 3.568 1.00 0.31 H new ATOM 228 N THR A 608 -3.747 0.040 6.122 1.00 0.11 N ATOM 229 CA THR A 608 -4.533 0.895 7.004 1.00 0.12 C ATOM 230 C THR A 608 -4.478 2.351 6.559 1.00 0.11 C ATOM 231 O THR A 608 -3.477 3.034 6.765 1.00 0.16 O ATOM 232 CB THR A 608 -4.035 0.813 8.456 1.00 0.16 C ATOM 233 OG1 THR A 608 -2.649 0.456 8.482 1.00 0.30 O ATOM 234 CG2 THR A 608 -4.840 -0.200 9.254 1.00 0.34 C ATOM 0 H THR A 608 -2.894 0.471 5.765 1.00 0.11 H new ATOM 0 HA THR A 608 -5.560 0.534 6.950 1.00 0.12 H new ATOM 0 HB THR A 608 -4.166 1.794 8.913 1.00 0.16 H new ATOM 0 HG1 THR A 608 -2.341 0.408 9.411 1.00 0.30 H new ATOM 0 HG21 THR A 608 -4.466 -0.237 10.277 1.00 0.34 H new ATOM 0 HG22 THR A 608 -5.890 0.094 9.262 1.00 0.34 H new ATOM 0 HG23 THR A 608 -4.742 -1.184 8.796 1.00 0.34 H new ATOM 242 N CYS A 609 -5.561 2.824 5.959 1.00 0.15 N ATOM 243 CA CYS A 609 -5.629 4.207 5.499 1.00 0.17 C ATOM 244 C CYS A 609 -6.536 5.035 6.403 1.00 0.17 C ATOM 245 O CYS A 609 -7.758 4.942 6.323 1.00 0.18 O ATOM 246 CB CYS A 609 -6.143 4.262 4.060 1.00 0.20 C ATOM 247 SG CYS A 609 -6.520 5.930 3.475 1.00 0.67 S ATOM 0 H CYS A 609 -6.402 2.275 5.779 1.00 0.15 H new ATOM 0 HA CYS A 609 -4.624 4.626 5.537 1.00 0.17 H new ATOM 0 HB2 CYS A 609 -5.397 3.818 3.402 1.00 0.20 H new ATOM 0 HB3 CYS A 609 -7.041 3.650 3.983 1.00 0.20 H new ATOM 0 HG CYS A 609 -5.460 6.449 2.930 1.00 0.67 H new ATOM 253 N GLY A 610 -5.928 5.847 7.260 1.00 0.21 N ATOM 254 CA GLY A 610 -6.695 6.680 8.168 1.00 0.23 C ATOM 255 C GLY A 610 -7.632 5.868 9.042 1.00 0.22 C ATOM 256 O GLY A 610 -8.846 6.072 9.015 1.00 0.23 O ATOM 0 H GLY A 610 -4.916 5.944 7.343 1.00 0.21 H new ATOM 0 HA2 GLY A 610 -6.013 7.248 8.800 1.00 0.23 H new ATOM 0 HA3 GLY A 610 -7.273 7.403 7.593 1.00 0.23 H new ATOM 260 N GLU A 611 -7.064 4.936 9.809 1.00 0.25 N ATOM 261 CA GLU A 611 -7.844 4.073 10.696 1.00 0.31 C ATOM 262 C GLU A 611 -8.727 3.118 9.898 1.00 0.28 C ATOM 263 O GLU A 611 -9.422 2.276 10.468 1.00 0.35 O ATOM 264 CB GLU A 611 -8.705 4.907 11.648 1.00 0.37 C ATOM 265 CG GLU A 611 -7.913 5.912 12.465 1.00 1.46 C ATOM 266 CD GLU A 611 -8.634 7.238 12.616 1.00 2.00 C ATOM 267 OE1 GLU A 611 -9.535 7.328 13.477 1.00 2.48 O ATOM 268 OE2 GLU A 611 -8.299 8.184 11.874 1.00 2.54 O ATOM 0 H GLU A 611 -6.060 4.759 9.833 1.00 0.25 H new ATOM 0 HA GLU A 611 -7.140 3.484 11.284 1.00 0.31 H new ATOM 0 HB2 GLU A 611 -9.461 5.438 11.069 1.00 0.37 H new ATOM 0 HB3 GLU A 611 -9.234 4.237 12.326 1.00 0.37 H new ATOM 0 HG2 GLU A 611 -7.714 5.496 13.453 1.00 1.46 H new ATOM 0 HG3 GLU A 611 -6.947 6.080 11.990 1.00 1.46 H new ATOM 275 N VAL A 612 -8.693 3.252 8.576 1.00 0.20 N ATOM 276 CA VAL A 612 -9.489 2.401 7.697 1.00 0.22 C ATOM 277 C VAL A 612 -8.667 1.213 7.211 1.00 0.21 C ATOM 278 O VAL A 612 -7.933 1.314 6.229 1.00 0.30 O ATOM 279 CB VAL A 612 -10.009 3.191 6.480 1.00 0.22 C ATOM 280 CG1 VAL A 612 -10.800 2.287 5.547 1.00 0.27 C ATOM 281 CG2 VAL A 612 -10.856 4.370 6.931 1.00 0.25 C ATOM 0 H VAL A 612 -8.122 3.943 8.089 1.00 0.20 H new ATOM 0 HA VAL A 612 -10.341 2.041 8.274 1.00 0.22 H new ATOM 0 HB VAL A 612 -9.150 3.576 5.931 1.00 0.22 H new ATOM 0 HG11 VAL A 612 -11.157 2.866 4.695 1.00 0.27 H new ATOM 0 HG12 VAL A 612 -10.159 1.479 5.193 1.00 0.27 H new ATOM 0 HG13 VAL A 612 -11.651 1.867 6.083 1.00 0.27 H new ATOM 0 HG21 VAL A 612 -11.214 4.916 6.058 1.00 0.25 H new ATOM 0 HG22 VAL A 612 -11.708 4.007 7.507 1.00 0.25 H new ATOM 0 HG23 VAL A 612 -10.254 5.034 7.552 1.00 0.25 H new ATOM 291 N LYS A 613 -8.786 0.089 7.909 1.00 0.15 N ATOM 292 CA LYS A 613 -8.041 -1.113 7.553 1.00 0.14 C ATOM 293 C LYS A 613 -8.670 -1.836 6.367 1.00 0.15 C ATOM 294 O LYS A 613 -9.854 -1.672 6.074 1.00 0.25 O ATOM 295 CB LYS A 613 -7.956 -2.059 8.750 1.00 0.16 C ATOM 296 CG LYS A 613 -6.681 -2.885 8.780 1.00 0.35 C ATOM 297 CD LYS A 613 -6.973 -4.355 9.031 1.00 0.69 C ATOM 298 CE LYS A 613 -7.237 -5.097 7.731 1.00 1.45 C ATOM 299 NZ LYS A 613 -6.927 -6.548 7.848 1.00 1.76 N ATOM 0 H LYS A 613 -9.391 -0.015 8.724 1.00 0.15 H new ATOM 0 HA LYS A 613 -7.037 -0.802 7.264 1.00 0.14 H new ATOM 0 HB2 LYS A 613 -8.024 -1.477 9.669 1.00 0.16 H new ATOM 0 HB3 LYS A 613 -8.814 -2.731 8.734 1.00 0.16 H new ATOM 0 HG2 LYS A 613 -6.153 -2.775 7.833 1.00 0.35 H new ATOM 0 HG3 LYS A 613 -6.020 -2.506 9.559 1.00 0.35 H new ATOM 0 HD2 LYS A 613 -6.129 -4.812 9.548 1.00 0.69 H new ATOM 0 HD3 LYS A 613 -7.838 -4.449 9.688 1.00 0.69 H new ATOM 0 HE2 LYS A 613 -8.282 -4.971 7.446 1.00 1.45 H new ATOM 0 HE3 LYS A 613 -6.635 -4.660 6.935 1.00 1.45 H new ATOM 0 HZ1 LYS A 613 -7.120 -7.019 6.941 1.00 1.76 H new ATOM 0 HZ2 LYS A 613 -5.924 -6.670 8.095 1.00 1.76 H new ATOM 0 HZ3 LYS A 613 -7.520 -6.971 8.590 1.00 1.76 H new ATOM 313 N GLY A 614 -7.854 -2.642 5.697 1.00 0.13 N ATOM 314 CA GLY A 614 -8.310 -3.400 4.550 1.00 0.14 C ATOM 315 C GLY A 614 -7.326 -4.490 4.173 1.00 0.15 C ATOM 316 O GLY A 614 -6.182 -4.483 4.627 1.00 0.24 O ATOM 0 H GLY A 614 -6.872 -2.784 5.933 1.00 0.13 H new ATOM 0 HA2 GLY A 614 -9.280 -3.845 4.770 1.00 0.14 H new ATOM 0 HA3 GLY A 614 -8.452 -2.729 3.703 1.00 0.14 H new ATOM 320 N THR A 615 -7.767 -5.428 3.344 1.00 0.15 N ATOM 321 CA THR A 615 -6.908 -6.524 2.912 1.00 0.16 C ATOM 322 C THR A 615 -6.430 -6.313 1.479 1.00 0.14 C ATOM 323 O THR A 615 -7.232 -6.263 0.548 1.00 0.17 O ATOM 324 CB THR A 615 -7.627 -7.882 3.008 1.00 0.20 C ATOM 325 OG1 THR A 615 -8.551 -7.871 4.102 1.00 0.44 O ATOM 326 CG2 THR A 615 -6.623 -9.011 3.194 1.00 0.42 C ATOM 0 H THR A 615 -8.711 -5.452 2.958 1.00 0.15 H new ATOM 0 HA THR A 615 -6.049 -6.533 3.583 1.00 0.16 H new ATOM 0 HB THR A 615 -8.170 -8.049 2.078 1.00 0.20 H new ATOM 0 HG1 THR A 615 -9.005 -8.738 4.155 1.00 0.44 H new ATOM 0 HG21 THR A 615 -7.152 -9.962 3.259 1.00 0.42 H new ATOM 0 HG22 THR A 615 -5.940 -9.034 2.345 1.00 0.42 H new ATOM 0 HG23 THR A 615 -6.057 -8.847 4.111 1.00 0.42 H new ATOM 334 N LEU A 616 -5.119 -6.187 1.315 1.00 0.14 N ATOM 335 CA LEU A 616 -4.520 -5.976 0.001 1.00 0.16 C ATOM 336 C LEU A 616 -4.190 -7.306 -0.671 1.00 0.15 C ATOM 337 O LEU A 616 -3.531 -8.163 -0.084 1.00 0.18 O ATOM 338 CB LEU A 616 -3.255 -5.125 0.130 1.00 0.21 C ATOM 339 CG LEU A 616 -2.509 -4.858 -1.178 1.00 0.22 C ATOM 340 CD1 LEU A 616 -2.010 -3.422 -1.226 1.00 0.38 C ATOM 341 CD2 LEU A 616 -1.351 -5.830 -1.337 1.00 0.40 C ATOM 0 H LEU A 616 -4.446 -6.227 2.080 1.00 0.14 H new ATOM 0 HA LEU A 616 -5.244 -5.450 -0.622 1.00 0.16 H new ATOM 0 HB2 LEU A 616 -3.525 -4.168 0.577 1.00 0.21 H new ATOM 0 HB3 LEU A 616 -2.574 -5.619 0.823 1.00 0.21 H new ATOM 0 HG LEU A 616 -3.202 -5.008 -2.006 1.00 0.22 H new ATOM 0 HD11 LEU A 616 -1.482 -3.252 -2.164 1.00 0.38 H new ATOM 0 HD12 LEU A 616 -2.857 -2.740 -1.157 1.00 0.38 H new ATOM 0 HD13 LEU A 616 -1.333 -3.244 -0.391 1.00 0.38 H new ATOM 0 HD21 LEU A 616 -0.831 -5.626 -2.273 1.00 0.40 H new ATOM 0 HD22 LEU A 616 -0.659 -5.711 -0.504 1.00 0.40 H new ATOM 0 HD23 LEU A 616 -1.732 -6.851 -1.349 1.00 0.40 H new ATOM 353 N TYR A 617 -4.650 -7.468 -1.906 1.00 0.14 N ATOM 354 CA TYR A 617 -4.405 -8.689 -2.664 1.00 0.16 C ATOM 355 C TYR A 617 -3.130 -8.560 -3.494 1.00 0.21 C ATOM 356 O TYR A 617 -2.984 -7.628 -4.283 1.00 0.22 O ATOM 357 CB TYR A 617 -5.599 -8.998 -3.571 1.00 0.16 C ATOM 358 CG TYR A 617 -6.707 -9.757 -2.872 1.00 0.20 C ATOM 359 CD1 TYR A 617 -7.461 -9.159 -1.869 1.00 0.29 C ATOM 360 CD2 TYR A 617 -6.999 -11.071 -3.216 1.00 0.31 C ATOM 361 CE1 TYR A 617 -8.475 -9.850 -1.231 1.00 0.34 C ATOM 362 CE2 TYR A 617 -8.011 -11.767 -2.582 1.00 0.37 C ATOM 363 CZ TYR A 617 -8.742 -11.152 -1.585 1.00 0.34 C ATOM 364 OH TYR A 617 -9.755 -11.844 -0.959 1.00 0.43 O ATOM 0 H TYR A 617 -5.197 -6.766 -2.405 1.00 0.14 H new ATOM 0 HA TYR A 617 -4.276 -9.511 -1.960 1.00 0.16 H new ATOM 0 HB2 TYR A 617 -6.000 -8.063 -3.962 1.00 0.16 H new ATOM 0 HB3 TYR A 617 -5.255 -9.579 -4.426 1.00 0.16 H new ATOM 0 HD1 TYR A 617 -7.252 -8.139 -1.583 1.00 0.29 H new ATOM 0 HD2 TYR A 617 -6.426 -11.557 -3.992 1.00 0.31 H new ATOM 0 HE1 TYR A 617 -9.055 -9.369 -0.457 1.00 0.34 H new ATOM 0 HE2 TYR A 617 -8.229 -12.786 -2.865 1.00 0.37 H new ATOM 0 HH TYR A 617 -9.810 -12.750 -1.329 1.00 0.43 H new ATOM 374 N LYS A 618 -2.205 -9.497 -3.300 1.00 0.27 N ATOM 375 CA LYS A 618 -0.935 -9.486 -4.020 1.00 0.34 C ATOM 376 C LYS A 618 -1.139 -9.741 -5.512 1.00 0.33 C ATOM 377 O LYS A 618 -0.406 -9.209 -6.346 1.00 0.37 O ATOM 378 CB LYS A 618 0.014 -10.538 -3.438 1.00 0.44 C ATOM 379 CG LYS A 618 1.485 -10.233 -3.675 1.00 0.80 C ATOM 380 CD LYS A 618 2.262 -11.489 -4.028 1.00 1.13 C ATOM 381 CE LYS A 618 3.150 -11.930 -2.876 1.00 1.56 C ATOM 382 NZ LYS A 618 4.580 -12.020 -3.280 1.00 2.48 N ATOM 0 H LYS A 618 -2.312 -10.275 -2.649 1.00 0.27 H new ATOM 0 HA LYS A 618 -0.494 -8.496 -3.901 1.00 0.34 H new ATOM 0 HB2 LYS A 618 -0.163 -10.620 -2.366 1.00 0.44 H new ATOM 0 HB3 LYS A 618 -0.222 -11.508 -3.875 1.00 0.44 H new ATOM 0 HG2 LYS A 618 1.582 -9.505 -4.481 1.00 0.80 H new ATOM 0 HG3 LYS A 618 1.912 -9.778 -2.781 1.00 0.80 H new ATOM 0 HD2 LYS A 618 1.567 -12.290 -4.282 1.00 1.13 H new ATOM 0 HD3 LYS A 618 2.873 -11.305 -4.912 1.00 1.13 H new ATOM 0 HE2 LYS A 618 3.050 -11.226 -2.050 1.00 1.56 H new ATOM 0 HE3 LYS A 618 2.814 -12.900 -2.510 1.00 1.56 H new ATOM 0 HZ1 LYS A 618 4.909 -13.001 -3.175 1.00 2.48 H new ATOM 0 HZ2 LYS A 618 4.680 -11.726 -4.272 1.00 2.48 H new ATOM 0 HZ3 LYS A 618 5.152 -11.396 -2.675 1.00 2.48 H new ATOM 396 N GLU A 619 -2.134 -10.561 -5.843 1.00 0.31 N ATOM 397 CA GLU A 619 -2.428 -10.889 -7.238 1.00 0.34 C ATOM 398 C GLU A 619 -2.671 -9.628 -8.065 1.00 0.30 C ATOM 399 O GLU A 619 -2.568 -9.651 -9.293 1.00 0.34 O ATOM 400 CB GLU A 619 -3.644 -11.814 -7.328 1.00 0.35 C ATOM 401 CG GLU A 619 -4.702 -11.545 -6.269 1.00 1.04 C ATOM 402 CD GLU A 619 -5.681 -12.693 -6.121 1.00 1.45 C ATOM 403 OE1 GLU A 619 -6.409 -12.983 -7.094 1.00 1.68 O ATOM 404 OE2 GLU A 619 -5.720 -13.304 -5.033 1.00 2.07 O ATOM 0 H GLU A 619 -2.750 -11.011 -5.166 1.00 0.31 H new ATOM 0 HA GLU A 619 -1.558 -11.404 -7.646 1.00 0.34 H new ATOM 0 HB2 GLU A 619 -4.096 -11.709 -8.314 1.00 0.35 H new ATOM 0 HB3 GLU A 619 -3.309 -12.848 -7.239 1.00 0.35 H new ATOM 0 HG2 GLU A 619 -4.215 -11.362 -5.311 1.00 1.04 H new ATOM 0 HG3 GLU A 619 -5.248 -10.638 -6.528 1.00 1.04 H new ATOM 411 N ARG A 620 -2.988 -8.530 -7.388 1.00 0.25 N ATOM 412 CA ARG A 620 -3.241 -7.260 -8.059 1.00 0.25 C ATOM 413 C ARG A 620 -2.212 -6.214 -7.642 1.00 0.27 C ATOM 414 O ARG A 620 -1.937 -5.268 -8.382 1.00 0.29 O ATOM 415 CB ARG A 620 -4.654 -6.765 -7.746 1.00 0.25 C ATOM 416 CG ARG A 620 -5.717 -7.351 -8.661 1.00 0.38 C ATOM 417 CD ARG A 620 -7.053 -7.489 -7.949 1.00 0.55 C ATOM 418 NE ARG A 620 -8.172 -7.533 -8.889 1.00 0.88 N ATOM 419 CZ ARG A 620 -8.599 -6.479 -9.578 1.00 0.95 C ATOM 420 NH1 ARG A 620 -8.007 -5.300 -9.430 1.00 1.77 N ATOM 421 NH2 ARG A 620 -9.619 -6.603 -10.416 1.00 1.17 N ATOM 0 H ARG A 620 -3.076 -8.494 -6.372 1.00 0.25 H new ATOM 0 HA ARG A 620 -3.154 -7.419 -9.134 1.00 0.25 H new ATOM 0 HB2 ARG A 620 -4.897 -7.014 -6.713 1.00 0.25 H new ATOM 0 HB3 ARG A 620 -4.676 -5.678 -7.826 1.00 0.25 H new ATOM 0 HG2 ARG A 620 -5.835 -6.714 -9.537 1.00 0.38 H new ATOM 0 HG3 ARG A 620 -5.392 -8.328 -9.019 1.00 0.38 H new ATOM 0 HD2 ARG A 620 -7.050 -8.397 -7.346 1.00 0.55 H new ATOM 0 HD3 ARG A 620 -7.187 -6.652 -7.264 1.00 0.55 H new ATOM 0 HE ARG A 620 -8.652 -8.423 -9.024 1.00 0.88 H new ATOM 0 HH11 ARG A 620 -7.222 -5.201 -8.786 1.00 1.77 H new ATOM 0 HH12 ARG A 620 -8.337 -4.493 -9.960 1.00 1.77 H new ATOM 0 HH21 ARG A 620 -10.076 -7.507 -10.532 1.00 1.17 H new ATOM 0 HH22 ARG A 620 -9.946 -5.794 -10.944 1.00 1.17 H new ATOM 435 N PHE A 621 -1.646 -6.394 -6.451 1.00 0.31 N ATOM 436 CA PHE A 621 -0.642 -5.476 -5.922 1.00 0.38 C ATOM 437 C PHE A 621 0.540 -5.343 -6.879 1.00 0.33 C ATOM 438 O PHE A 621 1.288 -4.366 -6.825 1.00 0.34 O ATOM 439 CB PHE A 621 -0.158 -5.961 -4.553 1.00 0.53 C ATOM 440 CG PHE A 621 0.898 -5.085 -3.934 1.00 0.75 C ATOM 441 CD1 PHE A 621 0.629 -3.761 -3.627 1.00 0.87 C ATOM 442 CD2 PHE A 621 2.157 -5.591 -3.657 1.00 0.96 C ATOM 443 CE1 PHE A 621 1.598 -2.958 -3.055 1.00 1.13 C ATOM 444 CE2 PHE A 621 3.131 -4.793 -3.085 1.00 1.21 C ATOM 445 CZ PHE A 621 2.850 -3.474 -2.784 1.00 1.27 C ATOM 0 H PHE A 621 -1.868 -7.173 -5.831 1.00 0.31 H new ATOM 0 HA PHE A 621 -1.102 -4.494 -5.813 1.00 0.38 H new ATOM 0 HB2 PHE A 621 -1.011 -6.019 -3.877 1.00 0.53 H new ATOM 0 HB3 PHE A 621 0.237 -6.972 -4.655 1.00 0.53 H new ATOM 0 HD1 PHE A 621 -0.348 -3.352 -3.837 1.00 0.87 H new ATOM 0 HD2 PHE A 621 2.381 -6.621 -3.891 1.00 0.96 H new ATOM 0 HE1 PHE A 621 1.376 -1.927 -2.820 1.00 1.13 H new ATOM 0 HE2 PHE A 621 4.109 -5.200 -2.874 1.00 1.21 H new ATOM 0 HZ PHE A 621 3.608 -2.848 -2.338 1.00 1.27 H new ATOM 455 N LYS A 622 0.703 -6.335 -7.751 1.00 0.33 N ATOM 456 CA LYS A 622 1.795 -6.340 -8.723 1.00 0.39 C ATOM 457 C LYS A 622 1.821 -5.050 -9.540 1.00 0.38 C ATOM 458 O LYS A 622 2.812 -4.748 -10.205 1.00 0.48 O ATOM 459 CB LYS A 622 1.664 -7.543 -9.661 1.00 0.48 C ATOM 460 CG LYS A 622 0.230 -7.859 -10.054 1.00 1.26 C ATOM 461 CD LYS A 622 0.169 -8.658 -11.345 1.00 2.09 C ATOM 462 CE LYS A 622 0.354 -10.145 -11.088 1.00 2.24 C ATOM 463 NZ LYS A 622 -0.599 -10.969 -11.882 1.00 2.99 N ATOM 0 H LYS A 622 0.091 -7.149 -7.805 1.00 0.33 H new ATOM 0 HA LYS A 622 2.731 -6.412 -8.169 1.00 0.39 H new ATOM 0 HB2 LYS A 622 2.245 -7.354 -10.563 1.00 0.48 H new ATOM 0 HB3 LYS A 622 2.100 -8.418 -9.179 1.00 0.48 H new ATOM 0 HG2 LYS A 622 -0.252 -8.421 -9.254 1.00 1.26 H new ATOM 0 HG3 LYS A 622 -0.329 -6.931 -10.173 1.00 1.26 H new ATOM 0 HD2 LYS A 622 -0.790 -8.489 -11.834 1.00 2.09 H new ATOM 0 HD3 LYS A 622 0.942 -8.307 -12.029 1.00 2.09 H new ATOM 0 HE2 LYS A 622 1.376 -10.432 -11.336 1.00 2.24 H new ATOM 0 HE3 LYS A 622 0.214 -10.350 -10.027 1.00 2.24 H new ATOM 0 HZ1 LYS A 622 -0.440 -11.976 -11.678 1.00 2.99 H new ATOM 0 HZ2 LYS A 622 -1.574 -10.714 -11.627 1.00 2.99 H new ATOM 0 HZ3 LYS A 622 -0.449 -10.793 -12.896 1.00 2.99 H new ATOM 477 N GLN A 623 0.729 -4.294 -9.490 1.00 0.35 N ATOM 478 CA GLN A 623 0.633 -3.040 -10.229 1.00 0.46 C ATOM 479 C GLN A 623 0.460 -1.858 -9.278 1.00 0.49 C ATOM 480 O GLN A 623 0.628 -0.703 -9.669 1.00 0.63 O ATOM 481 CB GLN A 623 -0.535 -3.094 -11.219 1.00 0.55 C ATOM 482 CG GLN A 623 -0.982 -4.508 -11.561 1.00 0.68 C ATOM 483 CD GLN A 623 -0.839 -4.826 -13.038 1.00 0.92 C ATOM 484 OE1 GLN A 623 -0.247 -4.057 -13.797 1.00 1.48 O ATOM 485 NE2 GLN A 623 -1.382 -5.965 -13.452 1.00 1.27 N ATOM 0 H GLN A 623 -0.101 -4.528 -8.946 1.00 0.35 H new ATOM 0 HA GLN A 623 1.561 -2.902 -10.783 1.00 0.46 H new ATOM 0 HB2 GLN A 623 -1.380 -2.546 -10.801 1.00 0.55 H new ATOM 0 HB3 GLN A 623 -0.246 -2.582 -12.137 1.00 0.55 H new ATOM 0 HG2 GLN A 623 -0.395 -5.220 -10.982 1.00 0.68 H new ATOM 0 HG3 GLN A 623 -2.023 -4.637 -11.265 1.00 0.68 H new ATOM 0 HE21 GLN A 623 -1.863 -6.572 -12.788 1.00 1.27 H new ATOM 0 HE22 GLN A 623 -1.318 -6.233 -14.434 1.00 1.27 H new ATOM 494 N GLY A 624 0.126 -2.158 -8.026 1.00 0.42 N ATOM 495 CA GLY A 624 -0.062 -1.113 -7.034 1.00 0.47 C ATOM 496 C GLY A 624 -1.271 -0.245 -7.320 1.00 0.66 C ATOM 497 O GLY A 624 -2.405 -0.726 -7.310 1.00 1.40 O ATOM 0 H GLY A 624 -0.018 -3.107 -7.680 1.00 0.42 H new ATOM 0 HA2 GLY A 624 -0.171 -1.568 -6.049 1.00 0.47 H new ATOM 0 HA3 GLY A 624 0.829 -0.487 -6.999 1.00 0.47 H new ATOM 501 N THR A 625 -1.028 1.041 -7.562 1.00 0.31 N ATOM 502 CA THR A 625 -2.103 1.990 -7.843 1.00 0.32 C ATOM 503 C THR A 625 -2.668 1.817 -9.255 1.00 0.34 C ATOM 504 O THR A 625 -2.984 2.797 -9.932 1.00 0.61 O ATOM 505 CB THR A 625 -1.625 3.445 -7.660 1.00 0.34 C ATOM 506 OG1 THR A 625 -2.713 4.352 -7.879 1.00 0.91 O ATOM 507 CG2 THR A 625 -0.485 3.771 -8.616 1.00 0.76 C ATOM 0 H THR A 625 -0.094 1.451 -7.569 1.00 0.31 H new ATOM 0 HA THR A 625 -2.896 1.778 -7.126 1.00 0.32 H new ATOM 0 HB THR A 625 -1.261 3.555 -6.638 1.00 0.34 H new ATOM 0 HG1 THR A 625 -3.097 4.194 -8.767 1.00 0.91 H new ATOM 0 HG21 THR A 625 -0.168 4.803 -8.465 1.00 0.76 H new ATOM 0 HG22 THR A 625 0.354 3.102 -8.424 1.00 0.76 H new ATOM 0 HG23 THR A 625 -0.824 3.642 -9.644 1.00 0.76 H new ATOM 515 N SER A 626 -2.805 0.570 -9.695 1.00 0.37 N ATOM 516 CA SER A 626 -3.344 0.286 -11.020 1.00 0.37 C ATOM 517 C SER A 626 -4.333 -0.878 -10.972 1.00 0.31 C ATOM 518 O SER A 626 -4.884 -1.276 -11.998 1.00 0.31 O ATOM 519 CB SER A 626 -2.212 -0.031 -11.997 1.00 0.43 C ATOM 520 OG SER A 626 -1.531 1.148 -12.390 1.00 0.92 O ATOM 0 H SER A 626 -2.551 -0.257 -9.155 1.00 0.37 H new ATOM 0 HA SER A 626 -3.875 1.173 -11.365 1.00 0.37 H new ATOM 0 HB2 SER A 626 -1.509 -0.722 -11.532 1.00 0.43 H new ATOM 0 HB3 SER A 626 -2.616 -0.531 -12.877 1.00 0.43 H new ATOM 0 HG SER A 626 -0.811 0.917 -13.013 1.00 0.92 H new ATOM 526 N LYS A 627 -4.558 -1.415 -9.773 1.00 0.30 N ATOM 527 CA LYS A 627 -5.484 -2.529 -9.588 1.00 0.31 C ATOM 528 C LYS A 627 -6.079 -2.519 -8.182 1.00 0.32 C ATOM 529 O LYS A 627 -5.351 -2.463 -7.190 1.00 0.47 O ATOM 530 CB LYS A 627 -4.773 -3.862 -9.837 1.00 0.36 C ATOM 531 CG LYS A 627 -4.460 -4.120 -11.301 1.00 0.41 C ATOM 532 CD LYS A 627 -4.914 -5.504 -11.734 1.00 0.86 C ATOM 533 CE LYS A 627 -5.705 -5.450 -13.031 1.00 1.24 C ATOM 534 NZ LYS A 627 -4.954 -6.056 -14.165 1.00 1.87 N ATOM 0 H LYS A 627 -4.110 -1.095 -8.914 1.00 0.30 H new ATOM 0 HA LYS A 627 -6.293 -2.413 -10.309 1.00 0.31 H new ATOM 0 HB2 LYS A 627 -3.844 -3.881 -9.267 1.00 0.36 H new ATOM 0 HB3 LYS A 627 -5.396 -4.673 -9.459 1.00 0.36 H new ATOM 0 HG2 LYS A 627 -4.950 -3.366 -11.917 1.00 0.41 H new ATOM 0 HG3 LYS A 627 -3.388 -4.019 -11.468 1.00 0.41 H new ATOM 0 HD2 LYS A 627 -4.045 -6.149 -11.863 1.00 0.86 H new ATOM 0 HD3 LYS A 627 -5.528 -5.949 -10.950 1.00 0.86 H new ATOM 0 HE2 LYS A 627 -6.652 -5.974 -12.901 1.00 1.24 H new ATOM 0 HE3 LYS A 627 -5.945 -4.413 -13.267 1.00 1.24 H new ATOM 0 HZ1 LYS A 627 -5.527 -5.999 -15.031 1.00 1.87 H new ATOM 0 HZ2 LYS A 627 -4.062 -5.540 -14.306 1.00 1.87 H new ATOM 0 HZ3 LYS A 627 -4.747 -7.053 -13.951 1.00 1.87 H new ATOM 548 N LYS A 628 -7.406 -2.576 -8.104 1.00 0.28 N ATOM 549 CA LYS A 628 -8.101 -2.574 -6.820 1.00 0.29 C ATOM 550 C LYS A 628 -7.901 -3.901 -6.092 1.00 0.28 C ATOM 551 O LYS A 628 -8.498 -4.915 -6.453 1.00 0.45 O ATOM 552 CB LYS A 628 -9.594 -2.305 -7.020 1.00 0.32 C ATOM 553 CG LYS A 628 -10.234 -3.170 -8.093 1.00 1.00 C ATOM 554 CD LYS A 628 -10.820 -2.329 -9.217 1.00 1.24 C ATOM 555 CE LYS A 628 -12.097 -1.628 -8.783 1.00 1.55 C ATOM 556 NZ LYS A 628 -11.827 -0.275 -8.226 1.00 2.32 N ATOM 0 H LYS A 628 -8.022 -2.624 -8.916 1.00 0.28 H new ATOM 0 HA LYS A 628 -7.678 -1.777 -6.208 1.00 0.29 H new ATOM 0 HB2 LYS A 628 -10.113 -2.470 -6.076 1.00 0.32 H new ATOM 0 HB3 LYS A 628 -9.733 -1.256 -7.281 1.00 0.32 H new ATOM 0 HG2 LYS A 628 -9.490 -3.855 -8.500 1.00 1.00 H new ATOM 0 HG3 LYS A 628 -11.019 -3.781 -7.648 1.00 1.00 H new ATOM 0 HD2 LYS A 628 -10.088 -1.588 -9.537 1.00 1.24 H new ATOM 0 HD3 LYS A 628 -11.028 -2.965 -10.078 1.00 1.24 H new ATOM 0 HE2 LYS A 628 -12.771 -1.542 -9.635 1.00 1.55 H new ATOM 0 HE3 LYS A 628 -12.607 -2.234 -8.034 1.00 1.55 H new ATOM 0 HZ1 LYS A 628 -12.641 0.345 -8.411 1.00 2.32 H new ATOM 0 HZ2 LYS A 628 -11.672 -0.347 -7.200 1.00 2.32 H new ATOM 0 HZ3 LYS A 628 -10.979 0.123 -8.677 1.00 2.32 H new ATOM 570 N CYS A 629 -7.052 -3.889 -5.069 1.00 0.18 N ATOM 571 CA CYS A 629 -6.775 -5.096 -4.299 1.00 0.17 C ATOM 572 C CYS A 629 -7.065 -4.888 -2.816 1.00 0.16 C ATOM 573 O CYS A 629 -6.846 -5.785 -2.002 1.00 0.17 O ATOM 574 CB CYS A 629 -5.316 -5.515 -4.487 1.00 0.20 C ATOM 575 SG CYS A 629 -4.127 -4.178 -4.229 1.00 0.33 S ATOM 0 H CYS A 629 -6.546 -3.061 -4.755 1.00 0.18 H new ATOM 0 HA CYS A 629 -7.431 -5.885 -4.666 1.00 0.17 H new ATOM 0 HB2 CYS A 629 -5.090 -6.327 -3.795 1.00 0.20 H new ATOM 0 HB3 CYS A 629 -5.189 -5.910 -5.495 1.00 0.20 H new ATOM 0 HG CYS A 629 -2.921 -4.629 -4.408 1.00 0.33 H new ATOM 581 N ILE A 630 -7.561 -3.706 -2.467 1.00 0.16 N ATOM 582 CA ILE A 630 -7.879 -3.395 -1.078 1.00 0.18 C ATOM 583 C ILE A 630 -9.358 -3.624 -0.787 1.00 0.18 C ATOM 584 O ILE A 630 -10.215 -2.866 -1.242 1.00 0.21 O ATOM 585 CB ILE A 630 -7.504 -1.938 -0.730 1.00 0.21 C ATOM 586 CG1 ILE A 630 -5.985 -1.798 -0.622 1.00 0.22 C ATOM 587 CG2 ILE A 630 -8.170 -1.505 0.569 1.00 0.29 C ATOM 588 CD1 ILE A 630 -5.432 -0.600 -1.362 1.00 0.31 C ATOM 0 H ILE A 630 -7.751 -2.950 -3.124 1.00 0.16 H new ATOM 0 HA ILE A 630 -7.288 -4.068 -0.456 1.00 0.18 H new ATOM 0 HB ILE A 630 -7.862 -1.289 -1.529 1.00 0.21 H new ATOM 0 HG12 ILE A 630 -5.709 -1.723 0.430 1.00 0.22 H new ATOM 0 HG13 ILE A 630 -5.517 -2.702 -1.011 1.00 0.22 H new ATOM 0 HG21 ILE A 630 -7.892 -0.476 0.795 1.00 0.29 H new ATOM 0 HG22 ILE A 630 -9.253 -1.574 0.463 1.00 0.29 H new ATOM 0 HG23 ILE A 630 -7.843 -2.155 1.380 1.00 0.29 H new ATOM 0 HD11 ILE A 630 -4.349 -0.565 -1.241 1.00 0.31 H new ATOM 0 HD12 ILE A 630 -5.676 -0.682 -2.421 1.00 0.31 H new ATOM 0 HD13 ILE A 630 -5.872 0.312 -0.958 1.00 0.31 H new ATOM 600 N GLN A 631 -9.650 -4.672 -0.023 1.00 0.23 N ATOM 601 CA GLN A 631 -11.023 -5.002 0.333 1.00 0.27 C ATOM 602 C GLN A 631 -11.396 -4.396 1.682 1.00 0.29 C ATOM 603 O GLN A 631 -10.805 -4.729 2.710 1.00 0.34 O ATOM 604 CB GLN A 631 -11.214 -6.520 0.372 1.00 0.35 C ATOM 605 CG GLN A 631 -12.636 -6.946 0.701 1.00 0.41 C ATOM 606 CD GLN A 631 -12.719 -8.380 1.184 1.00 0.60 C ATOM 607 OE1 GLN A 631 -12.012 -8.779 2.110 1.00 1.15 O ATOM 608 NE2 GLN A 631 -13.588 -9.164 0.557 1.00 0.77 N ATOM 0 H GLN A 631 -8.951 -5.308 0.362 1.00 0.23 H new ATOM 0 HA GLN A 631 -11.679 -4.581 -0.429 1.00 0.27 H new ATOM 0 HB2 GLN A 631 -10.933 -6.938 -0.594 1.00 0.35 H new ATOM 0 HB3 GLN A 631 -10.536 -6.944 1.112 1.00 0.35 H new ATOM 0 HG2 GLN A 631 -13.041 -6.285 1.467 1.00 0.41 H new ATOM 0 HG3 GLN A 631 -13.260 -6.828 -0.185 1.00 0.41 H new ATOM 0 HE21 GLN A 631 -14.154 -8.791 -0.205 1.00 0.77 H new ATOM 0 HE22 GLN A 631 -13.690 -10.139 0.838 1.00 0.77 H new ATOM 617 N SER A 632 -12.381 -3.506 1.667 1.00 0.28 N ATOM 618 CA SER A 632 -12.841 -2.850 2.884 1.00 0.32 C ATOM 619 C SER A 632 -14.365 -2.800 2.924 1.00 0.56 C ATOM 620 O SER A 632 -15.029 -3.139 1.943 1.00 0.83 O ATOM 621 CB SER A 632 -12.271 -1.434 2.970 1.00 0.70 C ATOM 622 OG SER A 632 -11.082 -1.315 2.208 1.00 1.80 O ATOM 0 H SER A 632 -12.878 -3.222 0.823 1.00 0.28 H new ATOM 0 HA SER A 632 -12.488 -3.428 3.739 1.00 0.32 H new ATOM 0 HB2 SER A 632 -13.010 -0.719 2.610 1.00 0.70 H new ATOM 0 HB3 SER A 632 -12.066 -1.184 4.011 1.00 0.70 H new ATOM 0 HG SER A 632 -10.637 -0.470 2.426 1.00 1.80 H new ATOM 677 N LYS A 636 -15.985 -4.467 -0.792 1.00 0.37 N ATOM 678 CA LYS A 636 -15.706 -3.434 -1.783 1.00 0.37 C ATOM 679 C LYS A 636 -14.203 -3.224 -1.943 1.00 0.31 C ATOM 680 O LYS A 636 -13.511 -2.876 -0.986 1.00 0.36 O ATOM 681 CB LYS A 636 -16.381 -2.122 -1.381 1.00 0.51 C ATOM 682 CG LYS A 636 -17.497 -1.700 -2.323 1.00 0.90 C ATOM 683 CD LYS A 636 -16.976 -0.809 -3.438 1.00 0.81 C ATOM 684 CE LYS A 636 -17.212 -1.430 -4.806 1.00 1.13 C ATOM 685 NZ LYS A 636 -18.657 -1.456 -5.161 1.00 1.60 N ATOM 0 HA LYS A 636 -16.109 -3.763 -2.741 1.00 0.37 H new ATOM 0 HB2 LYS A 636 -16.786 -2.225 -0.374 1.00 0.51 H new ATOM 0 HB3 LYS A 636 -15.630 -1.333 -1.344 1.00 0.51 H new ATOM 0 HG2 LYS A 636 -17.967 -2.585 -2.752 1.00 0.90 H new ATOM 0 HG3 LYS A 636 -18.267 -1.171 -1.762 1.00 0.90 H new ATOM 0 HD2 LYS A 636 -17.468 0.162 -3.389 1.00 0.81 H new ATOM 0 HD3 LYS A 636 -15.910 -0.633 -3.296 1.00 0.81 H new ATOM 0 HE2 LYS A 636 -16.663 -0.866 -5.560 1.00 1.13 H new ATOM 0 HE3 LYS A 636 -16.817 -2.446 -4.817 1.00 1.13 H new ATOM 0 HZ1 LYS A 636 -18.776 -1.887 -6.100 1.00 1.60 H new ATOM 0 HZ2 LYS A 636 -19.178 -2.015 -4.455 1.00 1.60 H new ATOM 0 HZ3 LYS A 636 -19.028 -0.485 -5.176 1.00 1.60 H new ATOM 699 N TRP A 637 -13.703 -3.447 -3.156 1.00 0.25 N ATOM 700 CA TRP A 637 -12.278 -3.293 -3.437 1.00 0.21 C ATOM 701 C TRP A 637 -11.984 -1.947 -4.093 1.00 0.22 C ATOM 702 O TRP A 637 -12.689 -1.528 -5.011 1.00 0.26 O ATOM 703 CB TRP A 637 -11.781 -4.418 -4.355 1.00 0.22 C ATOM 704 CG TRP A 637 -12.093 -5.808 -3.874 1.00 0.27 C ATOM 705 CD1 TRP A 637 -12.861 -6.169 -2.800 1.00 0.38 C ATOM 706 CD2 TRP A 637 -11.635 -7.031 -4.462 1.00 0.33 C ATOM 707 NE1 TRP A 637 -12.907 -7.538 -2.690 1.00 0.42 N ATOM 708 CE2 TRP A 637 -12.161 -8.089 -3.699 1.00 0.39 C ATOM 709 CE3 TRP A 637 -10.828 -7.331 -5.564 1.00 0.46 C ATOM 710 CZ2 TRP A 637 -11.909 -9.424 -4.003 1.00 0.49 C ATOM 711 CZ3 TRP A 637 -10.578 -8.656 -5.865 1.00 0.60 C ATOM 712 CH2 TRP A 637 -11.115 -9.689 -5.087 1.00 0.60 C ATOM 0 H TRP A 637 -14.263 -3.734 -3.959 1.00 0.25 H new ATOM 0 HA TRP A 637 -11.754 -3.343 -2.483 1.00 0.21 H new ATOM 0 HB2 TRP A 637 -12.221 -4.283 -5.343 1.00 0.22 H new ATOM 0 HB3 TRP A 637 -10.701 -4.323 -4.472 1.00 0.22 H new ATOM 0 HD1 TRP A 637 -13.359 -5.478 -2.135 1.00 0.38 H new ATOM 0 HE1 TRP A 637 -13.414 -8.059 -1.974 1.00 0.42 H new ATOM 0 HE3 TRP A 637 -10.408 -6.541 -6.169 1.00 0.46 H new ATOM 0 HZ2 TRP A 637 -12.325 -10.222 -3.406 1.00 0.49 H new ATOM 0 HZ3 TRP A 637 -9.958 -8.899 -6.715 1.00 0.60 H new ATOM 0 HH2 TRP A 637 -10.899 -10.715 -5.347 1.00 0.60 H new ATOM 723 N PHE A 638 -10.927 -1.284 -3.632 1.00 0.24 N ATOM 724 CA PHE A 638 -10.526 0.002 -4.192 1.00 0.30 C ATOM 725 C PHE A 638 -9.030 0.028 -4.470 1.00 0.27 C ATOM 726 O PHE A 638 -8.292 -0.868 -4.061 1.00 0.29 O ATOM 727 CB PHE A 638 -10.867 1.163 -3.251 1.00 0.41 C ATOM 728 CG PHE A 638 -11.944 0.871 -2.247 1.00 0.29 C ATOM 729 CD1 PHE A 638 -13.265 0.754 -2.642 1.00 0.76 C ATOM 730 CD2 PHE A 638 -11.633 0.731 -0.905 1.00 0.62 C ATOM 731 CE1 PHE A 638 -14.258 0.501 -1.716 1.00 0.87 C ATOM 732 CE2 PHE A 638 -12.620 0.476 0.026 1.00 0.69 C ATOM 733 CZ PHE A 638 -13.935 0.362 -0.380 1.00 0.59 C ATOM 0 H PHE A 638 -10.333 -1.616 -2.872 1.00 0.24 H new ATOM 0 HA PHE A 638 -11.080 0.124 -5.122 1.00 0.30 H new ATOM 0 HB2 PHE A 638 -9.963 1.455 -2.717 1.00 0.41 H new ATOM 0 HB3 PHE A 638 -11.174 2.019 -3.851 1.00 0.41 H new ATOM 0 HD1 PHE A 638 -13.522 0.862 -3.685 1.00 0.76 H new ATOM 0 HD2 PHE A 638 -10.606 0.822 -0.583 1.00 0.62 H new ATOM 0 HE1 PHE A 638 -15.286 0.412 -2.036 1.00 0.87 H new ATOM 0 HE2 PHE A 638 -12.364 0.366 1.069 1.00 0.69 H new ATOM 0 HZ PHE A 638 -14.710 0.164 0.346 1.00 0.59 H new ATOM 743 N THR A 639 -8.590 1.079 -5.149 1.00 0.25 N ATOM 744 CA THR A 639 -7.182 1.258 -5.468 1.00 0.25 C ATOM 745 C THR A 639 -6.553 2.237 -4.481 1.00 0.22 C ATOM 746 O THR A 639 -7.270 2.945 -3.781 1.00 0.21 O ATOM 747 CB THR A 639 -6.998 1.795 -6.900 1.00 0.30 C ATOM 748 OG1 THR A 639 -8.108 2.629 -7.257 1.00 0.37 O ATOM 749 CG2 THR A 639 -6.875 0.655 -7.898 1.00 0.39 C ATOM 0 H THR A 639 -9.195 1.826 -5.491 1.00 0.25 H new ATOM 0 HA THR A 639 -6.693 0.286 -5.397 1.00 0.25 H new ATOM 0 HB THR A 639 -6.078 2.380 -6.927 1.00 0.30 H new ATOM 0 HG1 THR A 639 -7.983 2.968 -8.168 1.00 0.37 H new ATOM 0 HG21 THR A 639 -6.746 1.062 -8.901 1.00 0.39 H new ATOM 0 HG22 THR A 639 -6.013 0.039 -7.643 1.00 0.39 H new ATOM 0 HG23 THR A 639 -7.778 0.045 -7.867 1.00 0.39 H new ATOM 757 N PRO A 640 -5.208 2.297 -4.401 1.00 0.23 N ATOM 758 CA PRO A 640 -4.515 3.210 -3.483 1.00 0.23 C ATOM 759 C PRO A 640 -5.090 4.628 -3.519 1.00 0.21 C ATOM 760 O PRO A 640 -4.867 5.422 -2.605 1.00 0.22 O ATOM 761 CB PRO A 640 -3.080 3.194 -4.003 1.00 0.27 C ATOM 762 CG PRO A 640 -2.920 1.837 -4.593 1.00 0.30 C ATOM 763 CD PRO A 640 -4.258 1.483 -5.187 1.00 0.27 C ATOM 0 HA PRO A 640 -4.612 2.900 -2.442 1.00 0.23 H new ATOM 0 HB2 PRO A 640 -2.918 3.973 -4.747 1.00 0.27 H new ATOM 0 HB3 PRO A 640 -2.363 3.366 -3.200 1.00 0.27 H new ATOM 0 HG2 PRO A 640 -2.141 1.832 -5.355 1.00 0.30 H new ATOM 0 HG3 PRO A 640 -2.627 1.113 -3.833 1.00 0.30 H new ATOM 0 HD2 PRO A 640 -4.303 1.726 -6.249 1.00 0.27 H new ATOM 0 HD3 PRO A 640 -4.469 0.418 -5.095 1.00 0.27 H new ATOM 771 N ARG A 641 -5.835 4.936 -4.577 1.00 0.20 N ATOM 772 CA ARG A 641 -6.451 6.250 -4.731 1.00 0.21 C ATOM 773 C ARG A 641 -7.841 6.276 -4.090 1.00 0.19 C ATOM 774 O ARG A 641 -8.082 7.020 -3.138 1.00 0.23 O ATOM 775 CB ARG A 641 -6.546 6.615 -6.216 1.00 0.25 C ATOM 776 CG ARG A 641 -7.495 7.766 -6.510 1.00 0.27 C ATOM 777 CD ARG A 641 -6.964 9.080 -5.965 1.00 0.62 C ATOM 778 NE ARG A 641 -8.007 10.098 -5.878 1.00 1.36 N ATOM 779 CZ ARG A 641 -7.763 11.392 -5.698 1.00 1.81 C ATOM 780 NH1 ARG A 641 -6.515 11.826 -5.586 1.00 2.09 N ATOM 781 NH2 ARG A 641 -8.769 12.254 -5.631 1.00 2.60 N ATOM 0 H ARG A 641 -6.027 4.290 -5.343 1.00 0.20 H new ATOM 0 HA ARG A 641 -5.827 6.985 -4.224 1.00 0.21 H new ATOM 0 HB2 ARG A 641 -5.552 6.875 -6.580 1.00 0.25 H new ATOM 0 HB3 ARG A 641 -6.871 5.738 -6.775 1.00 0.25 H new ATOM 0 HG2 ARG A 641 -7.643 7.851 -7.587 1.00 0.27 H new ATOM 0 HG3 ARG A 641 -8.470 7.556 -6.070 1.00 0.27 H new ATOM 0 HD2 ARG A 641 -6.535 8.915 -4.977 1.00 0.62 H new ATOM 0 HD3 ARG A 641 -6.159 9.440 -6.606 1.00 0.62 H new ATOM 0 HE ARG A 641 -8.979 9.799 -5.960 1.00 1.36 H new ATOM 0 HH11 ARG A 641 -5.739 11.166 -5.638 1.00 2.09 H new ATOM 0 HH12 ARG A 641 -6.331 12.820 -5.448 1.00 2.09 H new ATOM 0 HH21 ARG A 641 -9.730 11.924 -5.718 1.00 2.60 H new ATOM 0 HH22 ARG A 641 -8.581 13.247 -5.493 1.00 2.60 H new ATOM 795 N GLU A 642 -8.750 5.461 -4.622 1.00 0.20 N ATOM 796 CA GLU A 642 -10.118 5.388 -4.110 1.00 0.23 C ATOM 797 C GLU A 642 -10.136 5.002 -2.634 1.00 0.23 C ATOM 798 O GLU A 642 -11.082 5.314 -1.910 1.00 0.26 O ATOM 799 CB GLU A 642 -10.933 4.377 -4.919 1.00 0.26 C ATOM 800 CG GLU A 642 -11.765 5.010 -6.023 1.00 0.63 C ATOM 801 CD GLU A 642 -11.503 4.387 -7.381 1.00 0.89 C ATOM 802 OE1 GLU A 642 -11.642 3.152 -7.505 1.00 1.60 O ATOM 803 OE2 GLU A 642 -11.156 5.133 -8.320 1.00 1.33 O ATOM 0 H GLU A 642 -8.564 4.840 -5.410 1.00 0.20 H new ATOM 0 HA GLU A 642 -10.565 6.377 -4.211 1.00 0.23 H new ATOM 0 HB2 GLU A 642 -10.255 3.646 -5.360 1.00 0.26 H new ATOM 0 HB3 GLU A 642 -11.594 3.832 -4.244 1.00 0.26 H new ATOM 0 HG2 GLU A 642 -12.823 4.909 -5.779 1.00 0.63 H new ATOM 0 HG3 GLU A 642 -11.549 6.077 -6.069 1.00 0.63 H new ATOM 810 N PHE A 643 -9.080 4.328 -2.194 1.00 0.22 N ATOM 811 CA PHE A 643 -8.964 3.900 -0.804 1.00 0.23 C ATOM 812 C PHE A 643 -8.529 5.066 0.071 1.00 0.23 C ATOM 813 O PHE A 643 -9.015 5.235 1.190 1.00 0.25 O ATOM 814 CB PHE A 643 -7.962 2.749 -0.686 1.00 0.24 C ATOM 815 CG PHE A 643 -7.923 2.110 0.675 1.00 0.21 C ATOM 816 CD1 PHE A 643 -9.099 1.813 1.346 1.00 0.26 C ATOM 817 CD2 PHE A 643 -6.714 1.808 1.285 1.00 0.27 C ATOM 818 CE1 PHE A 643 -9.071 1.228 2.598 1.00 0.35 C ATOM 819 CE2 PHE A 643 -6.680 1.222 2.536 1.00 0.33 C ATOM 820 CZ PHE A 643 -7.842 0.924 3.189 1.00 0.37 C ATOM 0 H PHE A 643 -8.289 4.065 -2.782 1.00 0.22 H new ATOM 0 HA PHE A 643 -9.939 3.551 -0.464 1.00 0.23 H new ATOM 0 HB2 PHE A 643 -8.209 1.988 -1.426 1.00 0.24 H new ATOM 0 HB3 PHE A 643 -6.967 3.120 -0.931 1.00 0.24 H new ATOM 0 HD1 PHE A 643 -10.049 2.041 0.885 1.00 0.26 H new ATOM 0 HD2 PHE A 643 -5.789 2.034 0.776 1.00 0.27 H new ATOM 0 HE1 PHE A 643 -9.993 1.007 3.116 1.00 0.35 H new ATOM 0 HE2 PHE A 643 -5.730 0.999 2.999 1.00 0.33 H new ATOM 0 HZ PHE A 643 -7.811 0.454 4.161 1.00 0.37 H new ATOM 830 N GLU A 644 -7.620 5.878 -0.458 1.00 0.22 N ATOM 831 CA GLU A 644 -7.126 7.045 0.259 1.00 0.24 C ATOM 832 C GLU A 644 -8.283 7.982 0.578 1.00 0.26 C ATOM 833 O GLU A 644 -8.300 8.641 1.618 1.00 0.29 O ATOM 834 CB GLU A 644 -6.070 7.768 -0.581 1.00 0.25 C ATOM 835 CG GLU A 644 -5.723 9.158 -0.073 1.00 0.33 C ATOM 836 CD GLU A 644 -5.908 10.226 -1.134 1.00 0.65 C ATOM 837 OE1 GLU A 644 -5.176 10.191 -2.145 1.00 1.39 O ATOM 838 OE2 GLU A 644 -6.786 11.096 -0.953 1.00 1.01 O ATOM 0 H GLU A 644 -7.210 5.748 -1.383 1.00 0.22 H new ATOM 0 HA GLU A 644 -6.666 6.723 1.193 1.00 0.24 H new ATOM 0 HB2 GLU A 644 -5.163 7.164 -0.605 1.00 0.25 H new ATOM 0 HB3 GLU A 644 -6.428 7.846 -1.608 1.00 0.25 H new ATOM 0 HG2 GLU A 644 -6.348 9.393 0.788 1.00 0.33 H new ATOM 0 HG3 GLU A 644 -4.689 9.168 0.272 1.00 0.33 H new ATOM 845 N ILE A 645 -9.252 8.023 -0.329 1.00 0.27 N ATOM 846 CA ILE A 645 -10.429 8.863 -0.165 1.00 0.31 C ATOM 847 C ILE A 645 -11.272 8.394 1.020 1.00 0.31 C ATOM 848 O ILE A 645 -11.782 9.206 1.791 1.00 0.35 O ATOM 849 CB ILE A 645 -11.287 8.856 -1.449 1.00 0.36 C ATOM 850 CG1 ILE A 645 -10.666 9.778 -2.499 1.00 0.44 C ATOM 851 CG2 ILE A 645 -12.720 9.272 -1.153 1.00 0.43 C ATOM 852 CD1 ILE A 645 -10.886 9.312 -3.920 1.00 0.51 C ATOM 0 H ILE A 645 -9.243 7.479 -1.192 1.00 0.27 H new ATOM 0 HA ILE A 645 -10.087 9.880 0.028 1.00 0.31 H new ATOM 0 HB ILE A 645 -11.310 7.839 -1.841 1.00 0.36 H new ATOM 0 HG12 ILE A 645 -11.084 10.778 -2.385 1.00 0.44 H new ATOM 0 HG13 ILE A 645 -9.595 9.857 -2.313 1.00 0.44 H new ATOM 0 HG21 ILE A 645 -13.301 9.258 -2.075 1.00 0.43 H new ATOM 0 HG22 ILE A 645 -13.160 8.578 -0.437 1.00 0.43 H new ATOM 0 HG23 ILE A 645 -12.728 10.279 -0.735 1.00 0.43 H new ATOM 0 HD11 ILE A 645 -10.418 10.014 -4.610 1.00 0.51 H new ATOM 0 HD12 ILE A 645 -10.443 8.325 -4.052 1.00 0.51 H new ATOM 0 HD13 ILE A 645 -11.955 9.260 -4.125 1.00 0.51 H new ATOM 864 N GLU A 646 -11.411 7.078 1.158 1.00 0.30 N ATOM 865 CA GLU A 646 -12.191 6.498 2.247 1.00 0.33 C ATOM 866 C GLU A 646 -11.521 6.746 3.595 1.00 0.27 C ATOM 867 O GLU A 646 -12.191 6.823 4.626 1.00 0.29 O ATOM 868 CB GLU A 646 -12.372 4.996 2.023 1.00 0.41 C ATOM 869 CG GLU A 646 -13.622 4.429 2.674 1.00 0.70 C ATOM 870 CD GLU A 646 -14.494 3.667 1.695 1.00 1.38 C ATOM 871 OE1 GLU A 646 -14.854 4.244 0.647 1.00 1.90 O ATOM 872 OE2 GLU A 646 -14.818 2.494 1.976 1.00 1.99 O ATOM 0 H GLU A 646 -10.993 6.393 0.529 1.00 0.30 H new ATOM 0 HA GLU A 646 -13.168 6.981 2.257 1.00 0.33 H new ATOM 0 HB2 GLU A 646 -12.410 4.799 0.952 1.00 0.41 H new ATOM 0 HB3 GLU A 646 -11.500 4.471 2.413 1.00 0.41 H new ATOM 0 HG2 GLU A 646 -13.334 3.766 3.490 1.00 0.70 H new ATOM 0 HG3 GLU A 646 -14.200 5.242 3.113 1.00 0.70 H new ATOM 879 N GLY A 647 -10.196 6.869 3.583 1.00 0.23 N ATOM 880 CA GLY A 647 -9.460 7.103 4.812 1.00 0.25 C ATOM 881 C GLY A 647 -9.207 8.574 5.071 1.00 0.28 C ATOM 882 O GLY A 647 -8.737 8.950 6.145 1.00 0.65 O ATOM 0 H GLY A 647 -9.620 6.811 2.743 1.00 0.23 H new ATOM 0 HA2 GLY A 647 -10.016 6.681 5.649 1.00 0.25 H new ATOM 0 HA3 GLY A 647 -8.506 6.577 4.765 1.00 0.25 H new ATOM 886 N ASP A 648 -9.521 9.407 4.087 1.00 0.46 N ATOM 887 CA ASP A 648 -9.326 10.846 4.213 1.00 0.53 C ATOM 888 C ASP A 648 -10.464 11.612 3.545 1.00 0.61 C ATOM 889 O ASP A 648 -11.372 12.099 4.220 1.00 1.12 O ATOM 890 CB ASP A 648 -7.986 11.257 3.599 1.00 0.61 C ATOM 891 CG ASP A 648 -7.000 11.751 4.640 1.00 1.01 C ATOM 892 OD1 ASP A 648 -7.328 12.721 5.355 1.00 1.46 O ATOM 893 OD2 ASP A 648 -5.899 11.170 4.739 1.00 1.40 O ATOM 0 H ASP A 648 -9.912 9.111 3.193 1.00 0.46 H new ATOM 0 HA ASP A 648 -9.322 11.094 5.274 1.00 0.53 H new ATOM 0 HB2 ASP A 648 -7.556 10.407 3.070 1.00 0.61 H new ATOM 0 HB3 ASP A 648 -8.153 12.041 2.860 1.00 0.61 H new ATOM 898 N ARG A 649 -10.409 11.707 2.216 1.00 0.57 N ATOM 899 CA ARG A 649 -11.434 12.411 1.447 1.00 0.66 C ATOM 900 C ARG A 649 -11.069 12.462 -0.032 1.00 0.72 C ATOM 901 O ARG A 649 -11.915 12.248 -0.901 1.00 0.89 O ATOM 902 CB ARG A 649 -11.627 13.836 1.975 1.00 0.76 C ATOM 903 CG ARG A 649 -12.780 14.577 1.318 1.00 0.97 C ATOM 904 CD ARG A 649 -14.110 14.226 1.967 1.00 1.41 C ATOM 905 NE ARG A 649 -14.948 15.404 2.176 1.00 1.88 N ATOM 906 CZ ARG A 649 -16.269 15.408 2.015 1.00 2.63 C ATOM 907 NH1 ARG A 649 -16.899 14.299 1.650 1.00 2.98 N ATOM 908 NH2 ARG A 649 -16.959 16.521 2.222 1.00 3.19 N ATOM 0 H ARG A 649 -9.663 11.304 1.649 1.00 0.57 H new ATOM 0 HA ARG A 649 -12.367 11.859 1.561 1.00 0.66 H new ATOM 0 HB2 ARG A 649 -11.798 13.796 3.051 1.00 0.76 H new ATOM 0 HB3 ARG A 649 -10.707 14.400 1.819 1.00 0.76 H new ATOM 0 HG2 ARG A 649 -12.611 15.651 1.390 1.00 0.97 H new ATOM 0 HG3 ARG A 649 -12.815 14.330 0.257 1.00 0.97 H new ATOM 0 HD2 ARG A 649 -14.641 13.511 1.339 1.00 1.41 H new ATOM 0 HD3 ARG A 649 -13.928 13.737 2.924 1.00 1.41 H new ATOM 0 HE ARG A 649 -14.495 16.272 2.461 1.00 1.88 H new ATOM 0 HH11 ARG A 649 -16.371 13.441 1.492 1.00 2.98 H new ATOM 0 HH12 ARG A 649 -17.912 14.305 1.527 1.00 2.98 H new ATOM 0 HH21 ARG A 649 -16.477 17.375 2.505 1.00 3.19 H new ATOM 0 HH22 ARG A 649 -17.971 16.524 2.098 1.00 3.19 H new ATOM 922 N GLY A 650 -9.804 12.756 -0.309 1.00 0.76 N ATOM 923 CA GLY A 650 -9.342 12.842 -1.681 1.00 0.89 C ATOM 924 C GLY A 650 -8.340 13.960 -1.871 1.00 0.90 C ATOM 925 O GLY A 650 -7.496 13.905 -2.767 1.00 1.02 O ATOM 0 H GLY A 650 -9.088 12.937 0.395 1.00 0.76 H new ATOM 0 HA2 GLY A 650 -8.888 11.895 -1.971 1.00 0.89 H new ATOM 0 HA3 GLY A 650 -10.194 13.002 -2.341 1.00 0.89 H new ATOM 929 N ALA A 651 -8.428 14.973 -1.016 1.00 0.85 N ATOM 930 CA ALA A 651 -7.521 16.109 -1.080 1.00 0.93 C ATOM 931 C ALA A 651 -6.133 15.715 -0.590 1.00 0.91 C ATOM 932 O ALA A 651 -5.166 16.456 -0.771 1.00 1.04 O ATOM 933 CB ALA A 651 -8.065 17.269 -0.260 1.00 0.99 C ATOM 0 H ALA A 651 -9.121 15.029 -0.269 1.00 0.85 H new ATOM 0 HA ALA A 651 -7.440 16.427 -2.119 1.00 0.93 H new ATOM 0 HB1 ALA A 651 -7.375 18.111 -0.318 1.00 0.99 H new ATOM 0 HB2 ALA A 651 -9.037 17.568 -0.653 1.00 0.99 H new ATOM 0 HB3 ALA A 651 -8.174 16.960 0.780 1.00 0.99 H new ATOM 939 N SER A 652 -6.044 14.539 0.029 1.00 0.82 N ATOM 940 CA SER A 652 -4.773 14.040 0.544 1.00 0.89 C ATOM 941 C SER A 652 -3.719 14.001 -0.559 1.00 1.07 C ATOM 942 O SER A 652 -2.527 14.164 -0.295 1.00 1.98 O ATOM 943 CB SER A 652 -4.955 12.644 1.142 1.00 0.80 C ATOM 944 OG SER A 652 -4.375 12.561 2.432 1.00 1.30 O ATOM 0 H SER A 652 -6.836 13.916 0.185 1.00 0.82 H new ATOM 0 HA SER A 652 -4.432 14.720 1.325 1.00 0.89 H new ATOM 0 HB2 SER A 652 -6.017 12.406 1.202 1.00 0.80 H new ATOM 0 HB3 SER A 652 -4.499 11.902 0.487 1.00 0.80 H new ATOM 0 HG SER A 652 -3.766 11.794 2.468 1.00 1.30 H new ATOM 950 N LYS A 653 -4.175 13.791 -1.792 1.00 0.61 N ATOM 951 CA LYS A 653 -3.290 13.733 -2.954 1.00 0.69 C ATOM 952 C LYS A 653 -2.314 12.562 -2.859 1.00 0.53 C ATOM 953 O LYS A 653 -2.528 11.516 -3.475 1.00 0.60 O ATOM 954 CB LYS A 653 -2.525 15.051 -3.112 1.00 0.94 C ATOM 955 CG LYS A 653 -1.982 15.275 -4.514 1.00 1.24 C ATOM 956 CD LYS A 653 -3.062 15.789 -5.452 1.00 1.67 C ATOM 957 CE LYS A 653 -3.464 14.735 -6.472 1.00 2.12 C ATOM 958 NZ LYS A 653 -4.655 15.155 -7.261 1.00 2.50 N ATOM 0 H LYS A 653 -5.162 13.657 -2.013 1.00 0.61 H new ATOM 0 HA LYS A 653 -3.913 13.577 -3.835 1.00 0.69 H new ATOM 0 HB2 LYS A 653 -3.185 15.878 -2.851 1.00 0.94 H new ATOM 0 HB3 LYS A 653 -1.697 15.068 -2.404 1.00 0.94 H new ATOM 0 HG2 LYS A 653 -1.160 15.990 -4.477 1.00 1.24 H new ATOM 0 HG3 LYS A 653 -1.576 14.341 -4.902 1.00 1.24 H new ATOM 0 HD2 LYS A 653 -3.936 16.088 -4.873 1.00 1.67 H new ATOM 0 HD3 LYS A 653 -2.703 16.679 -5.969 1.00 1.67 H new ATOM 0 HE2 LYS A 653 -2.629 14.545 -7.147 1.00 2.12 H new ATOM 0 HE3 LYS A 653 -3.679 13.797 -5.960 1.00 2.12 H new ATOM 0 HZ1 LYS A 653 -4.898 14.411 -7.945 1.00 2.50 H new ATOM 0 HZ2 LYS A 653 -5.459 15.312 -6.620 1.00 2.50 H new ATOM 0 HZ3 LYS A 653 -4.441 16.036 -7.770 1.00 2.50 H new ATOM 972 N ASN A 654 -1.242 12.740 -2.093 1.00 0.43 N ATOM 973 CA ASN A 654 -0.237 11.696 -1.927 1.00 0.36 C ATOM 974 C ASN A 654 -0.808 10.498 -1.177 1.00 0.31 C ATOM 975 O ASN A 654 -0.820 10.471 0.054 1.00 0.36 O ATOM 976 CB ASN A 654 0.981 12.245 -1.185 1.00 0.46 C ATOM 977 CG ASN A 654 2.273 11.591 -1.635 1.00 0.85 C ATOM 978 OD1 ASN A 654 2.902 12.032 -2.597 1.00 1.63 O ATOM 979 ND2 ASN A 654 2.673 10.532 -0.940 1.00 1.50 N ATOM 0 H ASN A 654 -1.047 13.598 -1.577 1.00 0.43 H new ATOM 0 HA ASN A 654 0.069 11.364 -2.919 1.00 0.36 H new ATOM 0 HB2 ASN A 654 1.046 13.321 -1.345 1.00 0.46 H new ATOM 0 HB3 ASN A 654 0.852 12.089 -0.114 1.00 0.46 H new ATOM 0 HD21 ASN A 654 3.534 10.049 -1.197 1.00 1.50 H new ATOM 0 HD22 ASN A 654 2.119 10.202 -0.150 1.00 1.50 H new ATOM 986 N TRP A 655 -1.272 9.505 -1.928 1.00 0.29 N ATOM 987 CA TRP A 655 -1.838 8.297 -1.340 1.00 0.30 C ATOM 988 C TRP A 655 -0.743 7.440 -0.714 1.00 0.29 C ATOM 989 O TRP A 655 -1.010 6.601 0.147 1.00 0.32 O ATOM 990 CB TRP A 655 -2.590 7.491 -2.401 1.00 0.33 C ATOM 991 CG TRP A 655 -1.834 7.349 -3.688 1.00 0.34 C ATOM 992 CD1 TRP A 655 -1.963 8.126 -4.803 1.00 0.36 C ATOM 993 CD2 TRP A 655 -0.832 6.371 -3.994 1.00 0.37 C ATOM 994 NE1 TRP A 655 -1.104 7.693 -5.783 1.00 0.39 N ATOM 995 CE2 TRP A 655 -0.399 6.616 -5.311 1.00 0.40 C ATOM 996 CE3 TRP A 655 -0.259 5.313 -3.283 1.00 0.40 C ATOM 997 CZ2 TRP A 655 0.580 5.842 -5.930 1.00 0.46 C ATOM 998 CZ3 TRP A 655 0.713 4.546 -3.899 1.00 0.46 C ATOM 999 CH2 TRP A 655 1.124 4.813 -5.211 1.00 0.49 C ATOM 0 H TRP A 655 -1.267 9.513 -2.948 1.00 0.29 H new ATOM 0 HA TRP A 655 -2.538 8.593 -0.559 1.00 0.30 H new ATOM 0 HB2 TRP A 655 -2.809 6.499 -2.006 1.00 0.33 H new ATOM 0 HB3 TRP A 655 -3.547 7.973 -2.602 1.00 0.33 H new ATOM 0 HD1 TRP A 655 -2.642 8.960 -4.900 1.00 0.36 H new ATOM 0 HE1 TRP A 655 -1.006 8.105 -6.711 1.00 0.39 H new ATOM 0 HE3 TRP A 655 -0.570 5.098 -2.271 1.00 0.40 H new ATOM 0 HZ2 TRP A 655 0.898 6.047 -6.941 1.00 0.46 H new ATOM 0 HZ3 TRP A 655 1.163 3.726 -3.359 1.00 0.46 H new ATOM 0 HH2 TRP A 655 1.885 4.195 -5.664 1.00 0.49 H new ATOM 1010 N LYS A 656 0.490 7.658 -1.159 1.00 0.28 N ATOM 1011 CA LYS A 656 1.636 6.910 -0.653 1.00 0.31 C ATOM 1012 C LYS A 656 1.885 7.214 0.822 1.00 0.25 C ATOM 1013 O LYS A 656 2.585 6.470 1.506 1.00 0.26 O ATOM 1014 CB LYS A 656 2.890 7.241 -1.468 1.00 0.43 C ATOM 1015 CG LYS A 656 2.623 7.445 -2.951 1.00 0.42 C ATOM 1016 CD LYS A 656 3.915 7.612 -3.731 1.00 0.81 C ATOM 1017 CE LYS A 656 3.659 8.156 -5.128 1.00 0.81 C ATOM 1018 NZ LYS A 656 4.873 8.799 -5.703 1.00 1.34 N ATOM 0 H LYS A 656 0.722 8.349 -1.872 1.00 0.28 H new ATOM 0 HA LYS A 656 1.411 5.848 -0.753 1.00 0.31 H new ATOM 0 HB2 LYS A 656 3.347 8.144 -1.063 1.00 0.43 H new ATOM 0 HB3 LYS A 656 3.614 6.435 -1.346 1.00 0.43 H new ATOM 0 HG2 LYS A 656 2.068 6.592 -3.343 1.00 0.42 H new ATOM 0 HG3 LYS A 656 1.996 8.325 -3.091 1.00 0.42 H new ATOM 0 HD2 LYS A 656 4.581 8.287 -3.193 1.00 0.81 H new ATOM 0 HD3 LYS A 656 4.425 6.651 -3.802 1.00 0.81 H new ATOM 0 HE2 LYS A 656 3.334 7.345 -5.780 1.00 0.81 H new ATOM 0 HE3 LYS A 656 2.846 8.881 -5.092 1.00 0.81 H new ATOM 0 HZ1 LYS A 656 4.658 9.157 -6.655 1.00 1.34 H new ATOM 0 HZ2 LYS A 656 5.169 9.589 -5.095 1.00 1.34 H new ATOM 0 HZ3 LYS A 656 5.641 8.101 -5.761 1.00 1.34 H new ATOM 1032 N LEU A 657 1.312 8.312 1.304 1.00 0.24 N ATOM 1033 CA LEU A 657 1.481 8.711 2.698 1.00 0.27 C ATOM 1034 C LEU A 657 0.170 8.598 3.473 1.00 0.26 C ATOM 1035 O LEU A 657 0.172 8.438 4.694 1.00 0.33 O ATOM 1036 CB LEU A 657 2.007 10.146 2.780 1.00 0.36 C ATOM 1037 CG LEU A 657 3.492 10.316 2.455 1.00 0.39 C ATOM 1038 CD1 LEU A 657 3.827 11.784 2.234 1.00 0.52 C ATOM 1039 CD2 LEU A 657 4.350 9.736 3.570 1.00 0.50 C ATOM 0 H LEU A 657 0.728 8.940 0.752 1.00 0.24 H new ATOM 0 HA LEU A 657 2.205 8.033 3.150 1.00 0.27 H new ATOM 0 HB2 LEU A 657 1.429 10.767 2.096 1.00 0.36 H new ATOM 0 HB3 LEU A 657 1.826 10.525 3.786 1.00 0.36 H new ATOM 0 HG LEU A 657 3.707 9.773 1.535 1.00 0.39 H new ATOM 0 HD11 LEU A 657 4.888 11.885 2.004 1.00 0.52 H new ATOM 0 HD12 LEU A 657 3.237 12.171 1.403 1.00 0.52 H new ATOM 0 HD13 LEU A 657 3.596 12.350 3.137 1.00 0.52 H new ATOM 0 HD21 LEU A 657 5.404 9.865 3.323 1.00 0.50 H new ATOM 0 HD22 LEU A 657 4.130 10.253 4.504 1.00 0.50 H new ATOM 0 HD23 LEU A 657 4.131 8.674 3.683 1.00 0.50 H new ATOM 1051 N SER A 658 -0.947 8.694 2.757 1.00 0.24 N ATOM 1052 CA SER A 658 -2.265 8.617 3.380 1.00 0.29 C ATOM 1053 C SER A 658 -2.607 7.190 3.805 1.00 0.25 C ATOM 1054 O SER A 658 -3.357 6.984 4.760 1.00 0.30 O ATOM 1055 CB SER A 658 -3.332 9.142 2.421 1.00 0.34 C ATOM 1056 OG SER A 658 -2.900 10.329 1.778 1.00 1.18 O ATOM 0 H SER A 658 -0.966 8.825 1.746 1.00 0.24 H new ATOM 0 HA SER A 658 -2.243 9.237 4.276 1.00 0.29 H new ATOM 0 HB2 SER A 658 -3.559 8.382 1.674 1.00 0.34 H new ATOM 0 HB3 SER A 658 -4.254 9.336 2.969 1.00 0.34 H new ATOM 0 HG SER A 658 -2.240 10.106 1.089 1.00 1.18 H new ATOM 1062 N ILE A 659 -2.060 6.206 3.094 1.00 0.18 N ATOM 1063 CA ILE A 659 -2.322 4.805 3.411 1.00 0.15 C ATOM 1064 C ILE A 659 -1.079 4.116 3.956 1.00 0.13 C ATOM 1065 O ILE A 659 0.034 4.381 3.507 1.00 0.13 O ATOM 1066 CB ILE A 659 -2.811 4.025 2.175 1.00 0.17 C ATOM 1067 CG1 ILE A 659 -3.893 4.813 1.437 1.00 0.20 C ATOM 1068 CG2 ILE A 659 -3.329 2.654 2.588 1.00 0.18 C ATOM 1069 CD1 ILE A 659 -4.194 4.275 0.055 1.00 0.27 C ATOM 0 H ILE A 659 -1.437 6.352 2.300 1.00 0.18 H new ATOM 0 HA ILE A 659 -3.103 4.804 4.171 1.00 0.15 H new ATOM 0 HB ILE A 659 -1.970 3.885 1.496 1.00 0.17 H new ATOM 0 HG12 ILE A 659 -4.808 4.802 2.030 1.00 0.20 H new ATOM 0 HG13 ILE A 659 -3.580 5.854 1.353 1.00 0.20 H new ATOM 0 HG21 ILE A 659 -3.671 2.113 1.706 1.00 0.18 H new ATOM 0 HG22 ILE A 659 -2.528 2.093 3.070 1.00 0.18 H new ATOM 0 HG23 ILE A 659 -4.159 2.773 3.285 1.00 0.18 H new ATOM 0 HD11 ILE A 659 -4.971 4.882 -0.411 1.00 0.27 H new ATOM 0 HD12 ILE A 659 -3.291 4.312 -0.554 1.00 0.27 H new ATOM 0 HD13 ILE A 659 -4.538 3.244 0.133 1.00 0.27 H new ATOM 1081 N ARG A 660 -1.279 3.222 4.918 1.00 0.17 N ATOM 1082 CA ARG A 660 -0.177 2.482 5.523 1.00 0.17 C ATOM 1083 C ARG A 660 -0.270 1.001 5.169 1.00 0.20 C ATOM 1084 O ARG A 660 -1.305 0.532 4.695 1.00 0.20 O ATOM 1085 CB ARG A 660 -0.176 2.657 7.044 1.00 0.19 C ATOM 1086 CG ARG A 660 -0.751 3.987 7.509 1.00 0.18 C ATOM 1087 CD ARG A 660 -0.377 4.279 8.954 1.00 0.32 C ATOM 1088 NE ARG A 660 -0.162 5.704 9.188 1.00 0.66 N ATOM 1089 CZ ARG A 660 0.272 6.204 10.341 1.00 1.09 C ATOM 1090 NH1 ARG A 660 0.539 5.397 11.359 1.00 1.74 N ATOM 1091 NH2 ARG A 660 0.443 7.511 10.475 1.00 1.43 N ATOM 0 H ARG A 660 -2.198 2.991 5.297 1.00 0.17 H new ATOM 0 HA ARG A 660 0.756 2.882 5.126 1.00 0.17 H new ATOM 0 HB2 ARG A 660 -0.749 1.847 7.494 1.00 0.19 H new ATOM 0 HB3 ARG A 660 0.847 2.566 7.410 1.00 0.19 H new ATOM 0 HG2 ARG A 660 -0.384 4.788 6.868 1.00 0.18 H new ATOM 0 HG3 ARG A 660 -1.836 3.971 7.409 1.00 0.18 H new ATOM 0 HD2 ARG A 660 -1.168 3.919 9.613 1.00 0.32 H new ATOM 0 HD3 ARG A 660 0.528 3.729 9.212 1.00 0.32 H new ATOM 0 HE ARG A 660 -0.356 6.352 8.424 1.00 0.66 H new ATOM 0 HH11 ARG A 660 0.412 4.390 11.259 1.00 1.74 H new ATOM 0 HH12 ARG A 660 0.872 5.783 12.242 1.00 1.74 H new ATOM 0 HH21 ARG A 660 0.242 8.134 9.693 1.00 1.43 H new ATOM 0 HH22 ARG A 660 0.776 7.894 11.360 1.00 1.43 H new ATOM 1105 N CYS A 661 0.815 0.267 5.397 1.00 0.25 N ATOM 1106 CA CYS A 661 0.843 -1.160 5.098 1.00 0.29 C ATOM 1107 C CYS A 661 1.551 -1.936 6.204 1.00 0.33 C ATOM 1108 O CYS A 661 2.780 -2.003 6.238 1.00 0.36 O ATOM 1109 CB CYS A 661 1.542 -1.406 3.761 1.00 0.33 C ATOM 1110 SG CYS A 661 0.880 -2.806 2.827 1.00 1.57 S ATOM 0 H CYS A 661 1.683 0.635 5.786 1.00 0.25 H new ATOM 0 HA CYS A 661 -0.186 -1.512 5.035 1.00 0.29 H new ATOM 0 HB2 CYS A 661 1.463 -0.506 3.151 1.00 0.33 H new ATOM 0 HB3 CYS A 661 2.603 -1.575 3.944 1.00 0.33 H new ATOM 0 HG CYS A 661 -0.019 -3.417 3.540 1.00 1.57 H new ATOM 1116 N GLY A 662 0.767 -2.524 7.106 1.00 0.36 N ATOM 1117 CA GLY A 662 1.334 -3.293 8.203 1.00 0.42 C ATOM 1118 C GLY A 662 2.175 -2.449 9.145 1.00 0.38 C ATOM 1119 O GLY A 662 2.637 -2.935 10.179 1.00 0.54 O ATOM 0 H GLY A 662 -0.252 -2.481 7.097 1.00 0.36 H new ATOM 0 HA2 GLY A 662 0.527 -3.762 8.766 1.00 0.42 H new ATOM 0 HA3 GLY A 662 1.948 -4.097 7.797 1.00 0.42 H new ATOM 1123 N GLY A 663 2.378 -1.186 8.788 1.00 0.34 N ATOM 1124 CA GLY A 663 3.170 -0.294 9.610 1.00 0.29 C ATOM 1125 C GLY A 663 3.645 0.922 8.841 1.00 0.23 C ATOM 1126 O GLY A 663 3.326 2.055 9.198 1.00 0.27 O ATOM 0 H GLY A 663 2.005 -0.763 7.938 1.00 0.34 H new ATOM 0 HA2 GLY A 663 2.579 0.028 10.467 1.00 0.29 H new ATOM 0 HA3 GLY A 663 4.032 -0.833 10.002 1.00 0.29 H new ATOM 1130 N TYR A 664 4.407 0.684 7.777 1.00 0.20 N ATOM 1131 CA TYR A 664 4.924 1.767 6.950 1.00 0.17 C ATOM 1132 C TYR A 664 4.039 1.986 5.729 1.00 0.15 C ATOM 1133 O TYR A 664 3.549 1.031 5.124 1.00 0.17 O ATOM 1134 CB TYR A 664 6.356 1.464 6.505 1.00 0.22 C ATOM 1135 CG TYR A 664 7.290 1.119 7.644 1.00 0.31 C ATOM 1136 CD1 TYR A 664 7.572 2.047 8.639 1.00 0.45 C ATOM 1137 CD2 TYR A 664 7.889 -0.133 7.725 1.00 0.48 C ATOM 1138 CE1 TYR A 664 8.424 1.737 9.681 1.00 0.59 C ATOM 1139 CE2 TYR A 664 8.742 -0.450 8.765 1.00 0.61 C ATOM 1140 CZ TYR A 664 9.007 0.481 9.737 1.00 0.62 C ATOM 1141 OH TYR A 664 9.856 0.178 10.777 1.00 0.78 O ATOM 0 H TYR A 664 4.679 -0.249 7.468 1.00 0.20 H new ATOM 0 HA TYR A 664 4.923 2.678 7.549 1.00 0.17 H new ATOM 0 HB2 TYR A 664 6.339 0.635 5.798 1.00 0.22 H new ATOM 0 HB3 TYR A 664 6.752 2.329 5.972 1.00 0.22 H new ATOM 0 HD1 TYR A 664 7.118 3.026 8.597 1.00 0.45 H new ATOM 0 HD2 TYR A 664 7.684 -0.870 6.963 1.00 0.48 H new ATOM 0 HE1 TYR A 664 8.634 2.469 10.447 1.00 0.59 H new ATOM 0 HE2 TYR A 664 9.199 -1.428 8.812 1.00 0.61 H new ATOM 0 HH TYR A 664 10.183 -0.740 10.676 1.00 0.78 H new ATOM 1151 N THR A 665 3.842 3.249 5.368 1.00 0.14 N ATOM 1152 CA THR A 665 3.020 3.599 4.215 1.00 0.14 C ATOM 1153 C THR A 665 3.707 3.190 2.920 1.00 0.16 C ATOM 1154 O THR A 665 4.893 2.870 2.920 1.00 0.23 O ATOM 1155 CB THR A 665 2.734 5.111 4.177 1.00 0.16 C ATOM 1156 OG1 THR A 665 3.940 5.833 3.903 1.00 0.21 O ATOM 1157 CG2 THR A 665 2.144 5.583 5.499 1.00 0.26 C ATOM 0 H THR A 665 4.241 4.049 5.858 1.00 0.14 H new ATOM 0 HA THR A 665 2.077 3.061 4.312 1.00 0.14 H new ATOM 0 HB THR A 665 2.010 5.301 3.384 1.00 0.16 H new ATOM 0 HG1 THR A 665 3.968 6.644 4.452 1.00 0.21 H new ATOM 0 HG21 THR A 665 1.950 6.654 5.449 1.00 0.26 H new ATOM 0 HG22 THR A 665 1.211 5.054 5.690 1.00 0.26 H new ATOM 0 HG23 THR A 665 2.849 5.379 6.305 1.00 0.26 H new ATOM 1165 N LEU A 666 2.964 3.204 1.815 1.00 0.16 N ATOM 1166 CA LEU A 666 3.527 2.837 0.518 1.00 0.19 C ATOM 1167 C LEU A 666 4.751 3.689 0.209 1.00 0.21 C ATOM 1168 O LEU A 666 5.637 3.271 -0.529 1.00 0.24 O ATOM 1169 CB LEU A 666 2.494 2.994 -0.605 1.00 0.21 C ATOM 1170 CG LEU A 666 1.298 2.034 -0.556 1.00 0.20 C ATOM 1171 CD1 LEU A 666 1.725 0.640 -0.110 1.00 0.20 C ATOM 1172 CD2 LEU A 666 0.227 2.583 0.371 1.00 0.25 C ATOM 0 H LEU A 666 1.978 3.464 1.791 1.00 0.16 H new ATOM 0 HA LEU A 666 3.820 1.789 0.572 1.00 0.19 H new ATOM 0 HB2 LEU A 666 2.116 4.016 -0.584 1.00 0.21 H new ATOM 0 HB3 LEU A 666 3.002 2.862 -1.560 1.00 0.21 H new ATOM 0 HG LEU A 666 0.888 1.950 -1.563 1.00 0.20 H new ATOM 0 HD11 LEU A 666 0.855 -0.017 -0.085 1.00 0.20 H new ATOM 0 HD12 LEU A 666 2.460 0.243 -0.811 1.00 0.20 H new ATOM 0 HD13 LEU A 666 2.166 0.696 0.885 1.00 0.20 H new ATOM 0 HD21 LEU A 666 -0.618 1.895 0.399 1.00 0.25 H new ATOM 0 HD22 LEU A 666 0.637 2.695 1.375 1.00 0.25 H new ATOM 0 HD23 LEU A 666 -0.108 3.554 0.005 1.00 0.25 H new ATOM 1184 N LYS A 667 4.789 4.886 0.783 1.00 0.20 N ATOM 1185 CA LYS A 667 5.906 5.801 0.577 1.00 0.23 C ATOM 1186 C LYS A 667 7.215 5.137 0.990 1.00 0.24 C ATOM 1187 O LYS A 667 8.168 5.066 0.211 1.00 0.29 O ATOM 1188 CB LYS A 667 5.691 7.081 1.386 1.00 0.25 C ATOM 1189 CG LYS A 667 6.105 8.346 0.654 1.00 0.42 C ATOM 1190 CD LYS A 667 7.475 8.824 1.105 1.00 1.05 C ATOM 1191 CE LYS A 667 8.157 9.652 0.028 1.00 1.68 C ATOM 1192 NZ LYS A 667 9.630 9.440 0.015 1.00 2.05 N ATOM 0 H LYS A 667 4.058 5.246 1.396 1.00 0.20 H new ATOM 0 HA LYS A 667 5.960 6.055 -0.482 1.00 0.23 H new ATOM 0 HB2 LYS A 667 4.638 7.157 1.656 1.00 0.25 H new ATOM 0 HB3 LYS A 667 6.254 7.010 2.317 1.00 0.25 H new ATOM 0 HG2 LYS A 667 6.118 8.159 -0.420 1.00 0.42 H new ATOM 0 HG3 LYS A 667 5.368 9.129 0.832 1.00 0.42 H new ATOM 0 HD2 LYS A 667 7.374 9.418 2.013 1.00 1.05 H new ATOM 0 HD3 LYS A 667 8.098 7.965 1.354 1.00 1.05 H new ATOM 0 HE2 LYS A 667 7.744 9.391 -0.946 1.00 1.68 H new ATOM 0 HE3 LYS A 667 7.944 10.708 0.192 1.00 1.68 H new ATOM 0 HZ1 LYS A 667 10.058 10.022 -0.733 1.00 2.05 H new ATOM 0 HZ2 LYS A 667 10.028 9.713 0.936 1.00 2.05 H new ATOM 0 HZ3 LYS A 667 9.835 8.437 -0.167 1.00 2.05 H new ATOM 1206 N VAL A 668 7.246 4.641 2.220 1.00 0.25 N ATOM 1207 CA VAL A 668 8.426 3.971 2.746 1.00 0.30 C ATOM 1208 C VAL A 668 8.516 2.543 2.216 1.00 0.30 C ATOM 1209 O VAL A 668 9.605 2.036 1.952 1.00 0.38 O ATOM 1210 CB VAL A 668 8.413 3.943 4.287 1.00 0.34 C ATOM 1211 CG1 VAL A 668 9.628 3.202 4.822 1.00 0.44 C ATOM 1212 CG2 VAL A 668 8.354 5.357 4.845 1.00 0.47 C ATOM 0 H VAL A 668 6.464 4.691 2.873 1.00 0.25 H new ATOM 0 HA VAL A 668 9.296 4.536 2.413 1.00 0.30 H new ATOM 0 HB VAL A 668 7.521 3.409 4.613 1.00 0.34 H new ATOM 0 HG11 VAL A 668 9.599 3.194 5.912 1.00 0.44 H new ATOM 0 HG12 VAL A 668 9.621 2.177 4.451 1.00 0.44 H new ATOM 0 HG13 VAL A 668 10.536 3.703 4.487 1.00 0.44 H new ATOM 0 HG21 VAL A 668 8.346 5.318 5.934 1.00 0.47 H new ATOM 0 HG22 VAL A 668 9.226 5.918 4.509 1.00 0.47 H new ATOM 0 HG23 VAL A 668 7.448 5.850 4.492 1.00 0.47 H new ATOM 1222 N LEU A 669 7.361 1.902 2.066 1.00 0.26 N ATOM 1223 CA LEU A 669 7.299 0.532 1.569 1.00 0.32 C ATOM 1224 C LEU A 669 7.820 0.449 0.141 1.00 0.38 C ATOM 1225 O LEU A 669 8.352 -0.581 -0.276 1.00 0.47 O ATOM 1226 CB LEU A 669 5.863 0.015 1.631 1.00 0.36 C ATOM 1227 CG LEU A 669 5.670 -1.272 2.430 1.00 0.34 C ATOM 1228 CD1 LEU A 669 5.584 -0.968 3.918 1.00 0.36 C ATOM 1229 CD2 LEU A 669 4.423 -2.004 1.962 1.00 0.38 C ATOM 0 H LEU A 669 6.452 2.311 2.282 1.00 0.26 H new ATOM 0 HA LEU A 669 7.931 -0.090 2.203 1.00 0.32 H new ATOM 0 HB2 LEU A 669 5.233 0.791 2.065 1.00 0.36 H new ATOM 0 HB3 LEU A 669 5.509 -0.151 0.613 1.00 0.36 H new ATOM 0 HG LEU A 669 6.533 -1.917 2.261 1.00 0.34 H new ATOM 0 HD11 LEU A 669 5.446 -1.897 4.472 1.00 0.36 H new ATOM 0 HD12 LEU A 669 6.504 -0.484 4.244 1.00 0.36 H new ATOM 0 HD13 LEU A 669 4.739 -0.305 4.106 1.00 0.36 H new ATOM 0 HD21 LEU A 669 4.299 -2.919 2.541 1.00 0.38 H new ATOM 0 HD22 LEU A 669 3.551 -1.365 2.103 1.00 0.38 H new ATOM 0 HD23 LEU A 669 4.523 -2.254 0.906 1.00 0.38 H new ATOM 1241 N MET A 670 7.678 1.540 -0.605 1.00 0.36 N ATOM 1242 CA MET A 670 8.153 1.579 -1.982 1.00 0.44 C ATOM 1243 C MET A 670 9.625 1.962 -2.014 1.00 0.47 C ATOM 1244 O MET A 670 10.305 1.797 -3.028 1.00 0.55 O ATOM 1245 CB MET A 670 7.327 2.564 -2.815 1.00 0.48 C ATOM 1246 CG MET A 670 7.742 4.016 -2.639 1.00 0.45 C ATOM 1247 SD MET A 670 6.458 5.178 -3.148 1.00 0.71 S ATOM 1248 CE MET A 670 5.923 4.452 -4.698 1.00 0.70 C ATOM 0 H MET A 670 7.241 2.403 -0.281 1.00 0.36 H new ATOM 0 HA MET A 670 8.036 0.586 -2.417 1.00 0.44 H new ATOM 0 HB2 MET A 670 7.414 2.296 -3.868 1.00 0.48 H new ATOM 0 HB3 MET A 670 6.276 2.461 -2.545 1.00 0.48 H new ATOM 0 HG2 MET A 670 7.992 4.193 -1.593 1.00 0.45 H new ATOM 0 HG3 MET A 670 8.646 4.204 -3.219 1.00 0.45 H new ATOM 0 HE1 MET A 670 5.443 5.215 -5.311 1.00 0.70 H new ATOM 0 HE2 MET A 670 6.786 4.050 -5.229 1.00 0.70 H new ATOM 0 HE3 MET A 670 5.214 3.649 -4.498 1.00 0.70 H new ATOM 1258 N GLU A 671 10.108 2.463 -0.884 1.00 0.42 N ATOM 1259 CA GLU A 671 11.499 2.865 -0.749 1.00 0.47 C ATOM 1260 C GLU A 671 12.324 1.732 -0.144 1.00 0.51 C ATOM 1261 O GLU A 671 13.545 1.690 -0.297 1.00 0.59 O ATOM 1262 CB GLU A 671 11.612 4.118 0.121 1.00 0.45 C ATOM 1263 CG GLU A 671 12.228 5.306 -0.602 1.00 0.88 C ATOM 1264 CD GLU A 671 13.134 6.131 0.293 1.00 1.56 C ATOM 1265 OE1 GLU A 671 13.648 5.577 1.287 1.00 1.90 O ATOM 1266 OE2 GLU A 671 13.328 7.329 -0.001 1.00 2.39 O ATOM 0 H GLU A 671 9.550 2.601 -0.042 1.00 0.42 H new ATOM 0 HA GLU A 671 11.888 3.092 -1.741 1.00 0.47 H new ATOM 0 HB2 GLU A 671 10.619 4.394 0.477 1.00 0.45 H new ATOM 0 HB3 GLU A 671 12.213 3.887 1.001 1.00 0.45 H new ATOM 0 HG2 GLU A 671 12.799 4.948 -1.459 1.00 0.88 H new ATOM 0 HG3 GLU A 671 11.433 5.941 -0.991 1.00 0.88 H new ATOM 1273 N ASN A 672 11.648 0.816 0.550 1.00 0.47 N ATOM 1274 CA ASN A 672 12.317 -0.312 1.181 1.00 0.53 C ATOM 1275 C ASN A 672 12.627 -1.400 0.160 1.00 0.60 C ATOM 1276 O ASN A 672 13.775 -1.558 -0.260 1.00 0.72 O ATOM 1277 CB ASN A 672 11.450 -0.887 2.307 1.00 0.50 C ATOM 1278 CG ASN A 672 11.261 0.082 3.457 1.00 0.82 C ATOM 1279 OD1 ASN A 672 12.091 0.961 3.689 1.00 1.54 O ATOM 1280 ND2 ASN A 672 10.160 -0.077 4.188 1.00 0.62 N ATOM 0 H ASN A 672 10.637 0.837 0.687 1.00 0.47 H new ATOM 0 HA ASN A 672 13.256 0.047 1.603 1.00 0.53 H new ATOM 0 HB2 ASN A 672 10.475 -1.161 1.905 1.00 0.50 H new ATOM 0 HB3 ASN A 672 11.909 -1.802 2.681 1.00 0.50 H new ATOM 0 HD21 ASN A 672 9.977 0.544 4.977 1.00 0.62 H new ATOM 0 HD22 ASN A 672 9.499 -0.819 3.960 1.00 0.62 H new ATOM 1287 N LYS A 673 11.590 -2.144 -0.233 1.00 0.59 N ATOM 1288 CA LYS A 673 11.729 -3.232 -1.205 1.00 0.69 C ATOM 1289 C LYS A 673 10.445 -4.054 -1.299 1.00 0.68 C ATOM 1290 O LYS A 673 10.235 -4.785 -2.268 1.00 0.95 O ATOM 1291 CB LYS A 673 12.888 -4.156 -0.815 1.00 0.87 C ATOM 1292 CG LYS A 673 12.745 -4.754 0.576 1.00 0.94 C ATOM 1293 CD LYS A 673 13.730 -4.133 1.553 1.00 1.46 C ATOM 1294 CE LYS A 673 14.912 -5.053 1.815 1.00 1.87 C ATOM 1295 NZ LYS A 673 14.489 -6.340 2.432 1.00 2.62 N ATOM 0 H LYS A 673 10.638 -2.011 0.110 1.00 0.59 H new ATOM 0 HA LYS A 673 11.932 -2.780 -2.176 1.00 0.69 H new ATOM 0 HB2 LYS A 673 12.959 -4.964 -1.544 1.00 0.87 H new ATOM 0 HB3 LYS A 673 13.822 -3.596 -0.867 1.00 0.87 H new ATOM 0 HG2 LYS A 673 11.728 -4.601 0.936 1.00 0.94 H new ATOM 0 HG3 LYS A 673 12.908 -5.831 0.529 1.00 0.94 H new ATOM 0 HD2 LYS A 673 14.088 -3.183 1.156 1.00 1.46 H new ATOM 0 HD3 LYS A 673 13.223 -3.914 2.493 1.00 1.46 H new ATOM 0 HE2 LYS A 673 15.431 -5.253 0.877 1.00 1.87 H new ATOM 0 HE3 LYS A 673 15.623 -4.552 2.472 1.00 1.87 H new ATOM 0 HZ1 LYS A 673 15.265 -6.719 3.011 1.00 2.62 H new ATOM 0 HZ2 LYS A 673 13.655 -6.180 3.033 1.00 2.62 H new ATOM 0 HZ3 LYS A 673 14.250 -7.022 1.684 1.00 2.62 H new