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 656 LYS NZ :NH3+ 145:sc= -0.241 (180deg=0) USER MOD Set 1.2: A 670 MET CE :methyl -162:sc= -2.28! (180deg=-0.695) USER MOD Set 2.1: A 628 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 639 THR OG1 : rot 180:sc= 0.039 USER MOD Set 3.1: A 615 THR OG1 : rot 180:sc= -0.603 USER MOD Set 3.2: A 631 GLN : amide:sc=-0.00476 X(o=-0.61,f=-0.97) USER MOD Set 4.1: A 609 CYS SG : rot -148:sc= -5.69! USER MOD Set 4.2: A 658 SER OG : rot -76:sc= 0.181 USER MOD Single : A 599 ASN : amide:sc= -0.7 K(o=-0.7,f=0.046) USER MOD Single : A 601 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 602 GLN : amide:sc= -1.92! K(o=-1.9!,f=-0.21) USER MOD Single : A 603 SER OG : rot 180:sc= 0 USER MOD Single : A 608 THR OG1 : rot 180:sc= -0.831 USER MOD Single : A 613 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 617 TYR OH : rot 180:sc= 0 USER MOD Single : A 618 LYS NZ :NH3+ -135:sc= 0.657 (180deg=-1.48) USER MOD Single : A 622 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 623 GLN : amide:sc= -0.36 K(o=-0.36,f=-3.1!) USER MOD Single : A 625 THR OG1 : rot -44:sc= 0.937 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 629 CYS SG : rot 130:sc= 0.0911 USER MOD Single : A 632 SER OG : rot -130:sc= -0.0205 USER MOD Single : A 636 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 652 SER OG : rot 180:sc= 0 USER MOD Single : A 653 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 654 ASN : amide:sc= -0.76 K(o=-0.76,f=-3.9!) USER MOD Single : A 661 CYS SG : rot 170:sc= -3.07! USER MOD Single : A 664 TYR OH : rot 180:sc= 0 USER MOD Single : A 665 THR OG1 : rot 122:sc= 0.454 USER MOD Single : A 667 LYS NZ :NH3+ -172:sc= -0.605 (180deg=-0.724) USER MOD Single : A 672 ASN : amide:sc= -1.55 X(o=-1.6,f=-1.2) USER MOD Single : A 673 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 61 N ILE A 598 6.863 -6.347 7.788 1.00 0.87 N ATOM 62 CA ILE A 598 5.745 -6.738 6.938 1.00 0.64 C ATOM 63 C ILE A 598 6.234 -7.311 5.613 1.00 0.66 C ATOM 64 O ILE A 598 7.031 -6.688 4.912 1.00 0.79 O ATOM 65 CB ILE A 598 4.810 -5.543 6.656 1.00 0.49 C ATOM 66 CG1 ILE A 598 4.471 -4.808 7.957 1.00 0.69 C ATOM 67 CG2 ILE A 598 3.543 -6.013 5.956 1.00 0.35 C ATOM 68 CD1 ILE A 598 3.883 -5.702 9.029 1.00 0.83 C ATOM 0 HA ILE A 598 5.190 -7.505 7.478 1.00 0.64 H new ATOM 0 HB ILE A 598 5.327 -4.846 5.996 1.00 0.49 H new ATOM 0 HG12 ILE A 598 5.375 -4.339 8.344 1.00 0.69 H new ATOM 0 HG13 ILE A 598 3.765 -4.007 7.737 1.00 0.69 H new ATOM 0 HG21 ILE A 598 2.895 -5.158 5.764 1.00 0.35 H new ATOM 0 HG22 ILE A 598 3.805 -6.489 5.011 1.00 0.35 H new ATOM 0 HG23 ILE A 598 3.021 -6.729 6.591 1.00 0.35 H new ATOM 0 HD11 ILE A 598 3.669 -5.110 9.919 1.00 0.83 H new ATOM 0 HD12 ILE A 598 2.960 -6.152 8.662 1.00 0.83 H new ATOM 0 HD13 ILE A 598 4.596 -6.488 9.278 1.00 0.83 H new ATOM 80 N ASN A 599 5.749 -8.502 5.273 1.00 0.73 N ATOM 81 CA ASN A 599 6.134 -9.159 4.029 1.00 0.83 C ATOM 82 C ASN A 599 5.512 -8.451 2.828 1.00 0.95 C ATOM 83 O ASN A 599 5.081 -7.302 2.933 1.00 1.52 O ATOM 84 CB ASN A 599 5.714 -10.629 4.055 1.00 0.98 C ATOM 85 CG ASN A 599 6.066 -11.309 5.364 1.00 1.45 C ATOM 86 OD1 ASN A 599 7.138 -11.896 5.504 1.00 2.10 O ATOM 87 ND2 ASN A 599 5.162 -11.230 6.334 1.00 2.19 N ATOM 0 H ASN A 599 5.089 -9.031 5.842 1.00 0.73 H new ATOM 0 HA ASN A 599 7.218 -9.105 3.934 1.00 0.83 H new ATOM 0 HB2 ASN A 599 4.639 -10.700 3.890 1.00 0.98 H new ATOM 0 HB3 ASN A 599 6.198 -11.157 3.233 1.00 0.98 H new ATOM 0 HD21 ASN A 599 5.344 -11.666 7.238 1.00 2.19 H new ATOM 0 HD22 ASN A 599 4.286 -10.733 6.175 1.00 2.19 H new ATOM 94 N PHE A 600 5.473 -9.133 1.686 1.00 0.69 N ATOM 95 CA PHE A 600 4.909 -8.549 0.475 1.00 0.82 C ATOM 96 C PHE A 600 4.438 -9.623 -0.502 1.00 0.89 C ATOM 97 O PHE A 600 3.928 -9.307 -1.577 1.00 1.04 O ATOM 98 CB PHE A 600 5.943 -7.653 -0.204 1.00 0.93 C ATOM 99 CG PHE A 600 7.223 -8.363 -0.548 1.00 1.05 C ATOM 100 CD1 PHE A 600 8.248 -8.456 0.379 1.00 1.38 C ATOM 101 CD2 PHE A 600 7.398 -8.936 -1.797 1.00 1.21 C ATOM 102 CE1 PHE A 600 9.426 -9.108 0.066 1.00 1.92 C ATOM 103 CE2 PHE A 600 8.575 -9.588 -2.116 1.00 1.63 C ATOM 104 CZ PHE A 600 9.587 -9.679 -1.185 1.00 2.02 C ATOM 0 H PHE A 600 5.823 -10.085 1.575 1.00 0.69 H new ATOM 0 HA PHE A 600 4.043 -7.955 0.766 1.00 0.82 H new ATOM 0 HB2 PHE A 600 5.511 -7.240 -1.115 1.00 0.93 H new ATOM 0 HB3 PHE A 600 6.169 -6.812 0.452 1.00 0.93 H new ATOM 0 HD1 PHE A 600 8.125 -8.014 1.357 1.00 1.38 H new ATOM 0 HD2 PHE A 600 6.607 -8.873 -2.529 1.00 1.21 H new ATOM 0 HE1 PHE A 600 10.219 -9.172 0.796 1.00 1.92 H new ATOM 0 HE2 PHE A 600 8.701 -10.026 -3.095 1.00 1.63 H new ATOM 0 HZ PHE A 600 10.504 -10.195 -1.431 1.00 2.02 H new ATOM 114 N LYS A 601 4.625 -10.889 -0.140 1.00 0.87 N ATOM 115 CA LYS A 601 4.228 -11.993 -1.008 1.00 1.02 C ATOM 116 C LYS A 601 3.249 -12.937 -0.313 1.00 0.99 C ATOM 117 O LYS A 601 2.881 -13.975 -0.864 1.00 1.13 O ATOM 118 CB LYS A 601 5.462 -12.761 -1.483 1.00 1.16 C ATOM 119 CG LYS A 601 5.960 -13.794 -0.488 1.00 1.16 C ATOM 120 CD LYS A 601 5.772 -15.210 -1.012 1.00 1.78 C ATOM 121 CE LYS A 601 6.575 -15.449 -2.282 1.00 2.40 C ATOM 122 NZ LYS A 601 6.660 -16.896 -2.622 1.00 3.20 N ATOM 0 H LYS A 601 5.047 -11.175 0.744 1.00 0.87 H new ATOM 0 HA LYS A 601 3.716 -11.568 -1.871 1.00 1.02 H new ATOM 0 HB2 LYS A 601 5.229 -13.259 -2.424 1.00 1.16 H new ATOM 0 HB3 LYS A 601 6.264 -12.051 -1.688 1.00 1.16 H new ATOM 0 HG2 LYS A 601 7.015 -13.620 -0.279 1.00 1.16 H new ATOM 0 HG3 LYS A 601 5.425 -13.680 0.455 1.00 1.16 H new ATOM 0 HD2 LYS A 601 6.078 -15.925 -0.248 1.00 1.78 H new ATOM 0 HD3 LYS A 601 4.715 -15.388 -1.210 1.00 1.78 H new ATOM 0 HE2 LYS A 601 6.115 -14.908 -3.109 1.00 2.40 H new ATOM 0 HE3 LYS A 601 7.580 -15.046 -2.157 1.00 2.40 H new ATOM 0 HZ1 LYS A 601 7.215 -17.016 -3.493 1.00 3.20 H new ATOM 0 HZ2 LYS A 601 7.122 -17.409 -1.844 1.00 3.20 H new ATOM 0 HZ3 LYS A 601 5.703 -17.275 -2.767 1.00 3.20 H new ATOM 136 N GLN A 602 2.833 -12.577 0.899 1.00 0.85 N ATOM 137 CA GLN A 602 1.898 -13.401 1.666 1.00 0.89 C ATOM 138 C GLN A 602 0.516 -13.451 1.012 1.00 0.98 C ATOM 139 O GLN A 602 -0.432 -13.969 1.603 1.00 1.98 O ATOM 140 CB GLN A 602 1.771 -12.871 3.095 1.00 0.87 C ATOM 141 CG GLN A 602 3.098 -12.758 3.827 1.00 0.78 C ATOM 142 CD GLN A 602 3.914 -14.035 3.770 1.00 0.99 C ATOM 143 OE1 GLN A 602 3.801 -14.897 4.640 1.00 1.25 O ATOM 144 NE2 GLN A 602 4.745 -14.162 2.741 1.00 1.15 N ATOM 0 H GLN A 602 3.127 -11.722 1.372 1.00 0.85 H new ATOM 0 HA GLN A 602 2.300 -14.414 1.686 1.00 0.89 H new ATOM 0 HB2 GLN A 602 1.297 -11.890 3.068 1.00 0.87 H new ATOM 0 HB3 GLN A 602 1.110 -13.529 3.659 1.00 0.87 H new ATOM 0 HG2 GLN A 602 3.678 -11.943 3.394 1.00 0.78 H new ATOM 0 HG3 GLN A 602 2.911 -12.498 4.869 1.00 0.78 H new ATOM 0 HE21 GLN A 602 4.807 -13.422 2.042 1.00 1.15 H new ATOM 0 HE22 GLN A 602 5.320 -14.999 2.651 1.00 1.15 H new ATOM 153 N SER A 603 0.412 -12.910 -0.206 1.00 0.46 N ATOM 154 CA SER A 603 -0.849 -12.889 -0.954 1.00 0.46 C ATOM 155 C SER A 603 -1.828 -11.865 -0.383 1.00 0.42 C ATOM 156 O SER A 603 -2.623 -11.282 -1.121 1.00 0.55 O ATOM 157 CB SER A 603 -1.496 -14.277 -0.978 1.00 0.52 C ATOM 158 OG SER A 603 -1.068 -15.021 -2.105 1.00 1.06 O ATOM 0 H SER A 603 1.193 -12.477 -0.698 1.00 0.46 H new ATOM 0 HA SER A 603 -0.610 -12.595 -1.976 1.00 0.46 H new ATOM 0 HB2 SER A 603 -1.242 -14.816 -0.065 1.00 0.52 H new ATOM 0 HB3 SER A 603 -2.581 -14.175 -0.996 1.00 0.52 H new ATOM 0 HG SER A 603 -1.494 -15.903 -2.096 1.00 1.06 H new ATOM 164 N GLU A 604 -1.769 -11.644 0.927 1.00 0.31 N ATOM 165 CA GLU A 604 -2.654 -10.688 1.580 1.00 0.30 C ATOM 166 C GLU A 604 -1.892 -9.851 2.601 1.00 0.27 C ATOM 167 O GLU A 604 -1.468 -10.356 3.642 1.00 0.38 O ATOM 168 CB GLU A 604 -3.814 -11.415 2.263 1.00 0.35 C ATOM 169 CG GLU A 604 -4.924 -11.820 1.307 1.00 0.51 C ATOM 170 CD GLU A 604 -5.428 -13.227 1.562 1.00 0.82 C ATOM 171 OE1 GLU A 604 -4.871 -14.174 0.968 1.00 1.26 O ATOM 172 OE2 GLU A 604 -6.380 -13.382 2.357 1.00 1.48 O ATOM 0 H GLU A 604 -1.118 -12.114 1.556 1.00 0.31 H new ATOM 0 HA GLU A 604 -3.053 -10.022 0.815 1.00 0.30 H new ATOM 0 HB2 GLU A 604 -3.431 -12.306 2.761 1.00 0.35 H new ATOM 0 HB3 GLU A 604 -4.230 -10.771 3.038 1.00 0.35 H new ATOM 0 HG2 GLU A 604 -5.753 -11.118 1.400 1.00 0.51 H new ATOM 0 HG3 GLU A 604 -4.560 -11.749 0.282 1.00 0.51 H new ATOM 179 N LEU A 605 -1.720 -8.568 2.296 1.00 0.20 N ATOM 180 CA LEU A 605 -1.009 -7.660 3.186 1.00 0.22 C ATOM 181 C LEU A 605 -1.977 -6.688 3.857 1.00 0.19 C ATOM 182 O LEU A 605 -2.772 -6.033 3.186 1.00 0.24 O ATOM 183 CB LEU A 605 0.058 -6.887 2.409 1.00 0.27 C ATOM 184 CG LEU A 605 1.384 -6.693 3.146 1.00 0.38 C ATOM 185 CD1 LEU A 605 2.038 -8.036 3.435 1.00 1.26 C ATOM 186 CD2 LEU A 605 2.319 -5.809 2.333 1.00 1.04 C ATOM 0 H LEU A 605 -2.064 -8.135 1.439 1.00 0.20 H new ATOM 0 HA LEU A 605 -0.524 -8.252 3.962 1.00 0.22 H new ATOM 0 HB2 LEU A 605 0.254 -7.410 1.473 1.00 0.27 H new ATOM 0 HB3 LEU A 605 -0.342 -5.907 2.149 1.00 0.27 H new ATOM 0 HG LEU A 605 1.180 -6.200 4.096 1.00 0.38 H new ATOM 0 HD11 LEU A 605 2.980 -7.877 3.960 1.00 1.26 H new ATOM 0 HD12 LEU A 605 1.374 -8.638 4.056 1.00 1.26 H new ATOM 0 HD13 LEU A 605 2.229 -8.557 2.497 1.00 1.26 H new ATOM 0 HD21 LEU A 605 3.258 -5.681 2.871 1.00 1.04 H new ATOM 0 HD22 LEU A 605 2.515 -6.277 1.368 1.00 1.04 H new ATOM 0 HD23 LEU A 605 1.855 -4.835 2.176 1.00 1.04 H new ATOM 198 N PRO A 606 -1.924 -6.581 5.196 1.00 0.21 N ATOM 199 CA PRO A 606 -2.806 -5.683 5.947 1.00 0.21 C ATOM 200 C PRO A 606 -2.468 -4.212 5.722 1.00 0.20 C ATOM 201 O PRO A 606 -1.345 -3.776 5.977 1.00 0.34 O ATOM 202 CB PRO A 606 -2.557 -6.072 7.405 1.00 0.28 C ATOM 203 CG PRO A 606 -1.186 -6.653 7.415 1.00 0.44 C ATOM 204 CD PRO A 606 -1.008 -7.325 6.082 1.00 0.33 C ATOM 0 HA PRO A 606 -3.846 -5.785 5.637 1.00 0.21 H new ATOM 0 HB2 PRO A 606 -2.624 -5.205 8.063 1.00 0.28 H new ATOM 0 HB3 PRO A 606 -3.295 -6.794 7.753 1.00 0.28 H new ATOM 0 HG2 PRO A 606 -0.435 -5.877 7.564 1.00 0.44 H new ATOM 0 HG3 PRO A 606 -1.072 -7.368 8.230 1.00 0.44 H new ATOM 0 HD2 PRO A 606 0.024 -7.263 5.736 1.00 0.33 H new ATOM 0 HD3 PRO A 606 -1.266 -8.383 6.128 1.00 0.33 H new ATOM 212 N VAL A 607 -3.451 -3.449 5.250 1.00 0.14 N ATOM 213 CA VAL A 607 -3.264 -2.025 5.000 1.00 0.13 C ATOM 214 C VAL A 607 -4.165 -1.205 5.910 1.00 0.10 C ATOM 215 O VAL A 607 -5.209 -1.683 6.353 1.00 0.11 O ATOM 216 CB VAL A 607 -3.565 -1.657 3.535 1.00 0.18 C ATOM 217 CG1 VAL A 607 -2.329 -1.847 2.669 1.00 0.37 C ATOM 218 CG2 VAL A 607 -4.727 -2.480 3.002 1.00 0.31 C ATOM 0 H VAL A 607 -4.386 -3.795 5.033 1.00 0.14 H new ATOM 0 HA VAL A 607 -2.218 -1.798 5.207 1.00 0.13 H new ATOM 0 HB VAL A 607 -3.848 -0.605 3.499 1.00 0.18 H new ATOM 0 HG11 VAL A 607 -2.563 -1.582 1.638 1.00 0.37 H new ATOM 0 HG12 VAL A 607 -1.526 -1.207 3.035 1.00 0.37 H new ATOM 0 HG13 VAL A 607 -2.011 -2.889 2.712 1.00 0.37 H new ATOM 0 HG21 VAL A 607 -4.923 -2.204 1.966 1.00 0.31 H new ATOM 0 HG22 VAL A 607 -4.477 -3.540 3.054 1.00 0.31 H new ATOM 0 HG23 VAL A 607 -5.616 -2.287 3.603 1.00 0.31 H new ATOM 228 N THR A 608 -3.760 0.027 6.194 1.00 0.11 N ATOM 229 CA THR A 608 -4.545 0.896 7.062 1.00 0.12 C ATOM 230 C THR A 608 -4.491 2.347 6.608 1.00 0.11 C ATOM 231 O THR A 608 -3.492 3.033 6.811 1.00 0.16 O ATOM 232 CB THR A 608 -4.062 0.829 8.519 1.00 0.16 C ATOM 233 OG1 THR A 608 -2.651 1.069 8.580 1.00 0.30 O ATOM 234 CG2 THR A 608 -4.379 -0.523 9.138 1.00 0.34 C ATOM 0 H THR A 608 -2.900 0.444 5.839 1.00 0.11 H new ATOM 0 HA THR A 608 -5.571 0.533 6.999 1.00 0.12 H new ATOM 0 HB THR A 608 -4.587 1.599 9.085 1.00 0.16 H new ATOM 0 HG1 THR A 608 -2.352 1.026 9.512 1.00 0.30 H new ATOM 0 HG21 THR A 608 -4.026 -0.543 10.169 1.00 0.34 H new ATOM 0 HG22 THR A 608 -5.456 -0.688 9.120 1.00 0.34 H new ATOM 0 HG23 THR A 608 -3.882 -1.309 8.569 1.00 0.34 H new ATOM 242 N CYS A 609 -5.577 2.815 6.012 1.00 0.15 N ATOM 243 CA CYS A 609 -5.652 4.196 5.552 1.00 0.17 C ATOM 244 C CYS A 609 -6.574 5.003 6.459 1.00 0.17 C ATOM 245 O CYS A 609 -7.793 4.925 6.344 1.00 0.18 O ATOM 246 CB CYS A 609 -6.161 4.242 4.114 1.00 0.20 C ATOM 247 SG CYS A 609 -6.261 5.908 3.416 1.00 0.67 S ATOM 0 H CYS A 609 -6.416 2.263 5.835 1.00 0.15 H new ATOM 0 HA CYS A 609 -4.654 4.633 5.588 1.00 0.17 H new ATOM 0 HB2 CYS A 609 -5.505 3.637 3.489 1.00 0.20 H new ATOM 0 HB3 CYS A 609 -7.149 3.784 4.075 1.00 0.20 H new ATOM 0 HG CYS A 609 -7.242 5.964 2.565 1.00 0.67 H new ATOM 253 N GLY A 610 -5.985 5.772 7.367 1.00 0.21 N ATOM 254 CA GLY A 610 -6.779 6.566 8.287 1.00 0.23 C ATOM 255 C GLY A 610 -7.672 5.694 9.150 1.00 0.22 C ATOM 256 O GLY A 610 -8.866 5.964 9.289 1.00 0.23 O ATOM 0 H GLY A 610 -4.975 5.860 7.483 1.00 0.21 H new ATOM 0 HA2 GLY A 610 -6.119 7.154 8.924 1.00 0.23 H new ATOM 0 HA3 GLY A 610 -7.391 7.271 7.725 1.00 0.23 H new ATOM 260 N GLU A 611 -7.083 4.633 9.708 1.00 0.25 N ATOM 261 CA GLU A 611 -7.809 3.680 10.551 1.00 0.31 C ATOM 262 C GLU A 611 -8.706 2.793 9.699 1.00 0.28 C ATOM 263 O GLU A 611 -9.336 1.859 10.197 1.00 0.35 O ATOM 264 CB GLU A 611 -8.634 4.405 11.620 1.00 0.37 C ATOM 265 CG GLU A 611 -9.336 3.473 12.594 1.00 1.46 C ATOM 266 CD GLU A 611 -8.568 3.299 13.890 1.00 2.00 C ATOM 267 OE1 GLU A 611 -8.786 4.101 14.821 1.00 2.54 O ATOM 268 OE2 GLU A 611 -7.746 2.362 13.972 1.00 2.48 O ATOM 0 H GLU A 611 -6.095 4.411 9.589 1.00 0.25 H new ATOM 0 HA GLU A 611 -7.076 3.053 11.059 1.00 0.31 H new ATOM 0 HB2 GLU A 611 -7.979 5.073 12.180 1.00 0.37 H new ATOM 0 HB3 GLU A 611 -9.380 5.029 11.128 1.00 0.37 H new ATOM 0 HG2 GLU A 611 -10.329 3.864 12.814 1.00 1.46 H new ATOM 0 HG3 GLU A 611 -9.474 2.499 12.124 1.00 1.46 H new ATOM 275 N VAL A 612 -8.744 3.081 8.405 1.00 0.20 N ATOM 276 CA VAL A 612 -9.549 2.304 7.476 1.00 0.22 C ATOM 277 C VAL A 612 -8.776 1.079 7.004 1.00 0.21 C ATOM 278 O VAL A 612 -8.229 1.057 5.904 1.00 0.30 O ATOM 279 CB VAL A 612 -9.978 3.149 6.261 1.00 0.22 C ATOM 280 CG1 VAL A 612 -10.770 2.311 5.271 1.00 0.27 C ATOM 281 CG2 VAL A 612 -10.784 4.356 6.713 1.00 0.25 C ATOM 0 H VAL A 612 -8.226 3.848 7.976 1.00 0.20 H new ATOM 0 HA VAL A 612 -10.448 1.984 8.004 1.00 0.22 H new ATOM 0 HB VAL A 612 -9.080 3.504 5.756 1.00 0.22 H new ATOM 0 HG11 VAL A 612 -11.062 2.930 4.422 1.00 0.27 H new ATOM 0 HG12 VAL A 612 -10.154 1.482 4.922 1.00 0.27 H new ATOM 0 HG13 VAL A 612 -11.663 1.919 5.758 1.00 0.27 H new ATOM 0 HG21 VAL A 612 -11.079 4.943 5.843 1.00 0.25 H new ATOM 0 HG22 VAL A 612 -11.675 4.021 7.244 1.00 0.25 H new ATOM 0 HG23 VAL A 612 -10.176 4.972 7.376 1.00 0.25 H new ATOM 291 N LYS A 613 -8.721 0.067 7.859 1.00 0.15 N ATOM 292 CA LYS A 613 -8.003 -1.163 7.546 1.00 0.14 C ATOM 293 C LYS A 613 -8.678 -1.936 6.413 1.00 0.15 C ATOM 294 O LYS A 613 -9.862 -1.744 6.134 1.00 0.25 O ATOM 295 CB LYS A 613 -7.894 -2.048 8.787 1.00 0.16 C ATOM 296 CG LYS A 613 -6.730 -3.023 8.729 1.00 0.35 C ATOM 297 CD LYS A 613 -6.831 -4.084 9.813 1.00 0.69 C ATOM 298 CE LYS A 613 -5.466 -4.404 10.402 1.00 1.45 C ATOM 299 NZ LYS A 613 -5.573 -5.196 11.658 1.00 1.76 N ATOM 0 H LYS A 613 -9.166 0.073 8.777 1.00 0.15 H new ATOM 0 HA LYS A 613 -7.003 -0.883 7.215 1.00 0.14 H new ATOM 0 HB2 LYS A 613 -7.785 -1.415 9.668 1.00 0.16 H new ATOM 0 HB3 LYS A 613 -8.822 -2.607 8.909 1.00 0.16 H new ATOM 0 HG2 LYS A 613 -6.706 -3.503 7.751 1.00 0.35 H new ATOM 0 HG3 LYS A 613 -5.793 -2.478 8.840 1.00 0.35 H new ATOM 0 HD2 LYS A 613 -7.498 -3.738 10.603 1.00 0.69 H new ATOM 0 HD3 LYS A 613 -7.272 -4.990 9.398 1.00 0.69 H new ATOM 0 HE2 LYS A 613 -4.877 -4.960 9.672 1.00 1.45 H new ATOM 0 HE3 LYS A 613 -4.931 -3.476 10.603 1.00 1.45 H new ATOM 0 HZ1 LYS A 613 -4.621 -5.393 12.027 1.00 1.76 H new ATOM 0 HZ2 LYS A 613 -6.113 -4.656 12.364 1.00 1.76 H new ATOM 0 HZ3 LYS A 613 -6.060 -6.094 11.462 1.00 1.76 H new ATOM 313 N GLY A 614 -7.909 -2.812 5.770 1.00 0.13 N ATOM 314 CA GLY A 614 -8.420 -3.613 4.678 1.00 0.14 C ATOM 315 C GLY A 614 -7.461 -4.725 4.297 1.00 0.15 C ATOM 316 O GLY A 614 -6.401 -4.873 4.908 1.00 0.24 O ATOM 0 H GLY A 614 -6.928 -2.980 5.993 1.00 0.13 H new ATOM 0 HA2 GLY A 614 -9.381 -4.043 4.961 1.00 0.14 H new ATOM 0 HA3 GLY A 614 -8.599 -2.975 3.812 1.00 0.14 H new ATOM 320 N THR A 615 -7.832 -5.510 3.292 1.00 0.15 N ATOM 321 CA THR A 615 -6.996 -6.616 2.836 1.00 0.16 C ATOM 322 C THR A 615 -6.418 -6.343 1.451 1.00 0.14 C ATOM 323 O THR A 615 -7.155 -6.205 0.477 1.00 0.17 O ATOM 324 CB THR A 615 -7.784 -7.939 2.798 1.00 0.20 C ATOM 325 OG1 THR A 615 -9.189 -7.675 2.889 1.00 0.44 O ATOM 326 CG2 THR A 615 -7.359 -8.853 3.936 1.00 0.42 C ATOM 0 H THR A 615 -8.706 -5.402 2.777 1.00 0.15 H new ATOM 0 HA THR A 615 -6.180 -6.706 3.553 1.00 0.16 H new ATOM 0 HB THR A 615 -7.570 -8.438 1.853 1.00 0.20 H new ATOM 0 HG1 THR A 615 -9.683 -8.521 2.862 1.00 0.44 H new ATOM 0 HG21 THR A 615 -7.929 -9.781 3.889 1.00 0.42 H new ATOM 0 HG22 THR A 615 -6.296 -9.075 3.847 1.00 0.42 H new ATOM 0 HG23 THR A 615 -7.548 -8.359 4.889 1.00 0.42 H new ATOM 334 N LEU A 616 -5.093 -6.266 1.374 1.00 0.14 N ATOM 335 CA LEU A 616 -4.410 -6.007 0.110 1.00 0.16 C ATOM 336 C LEU A 616 -4.081 -7.308 -0.618 1.00 0.15 C ATOM 337 O LEU A 616 -3.464 -8.210 -0.053 1.00 0.18 O ATOM 338 CB LEU A 616 -3.131 -5.209 0.362 1.00 0.21 C ATOM 339 CG LEU A 616 -2.433 -4.687 -0.892 1.00 0.22 C ATOM 340 CD1 LEU A 616 -2.588 -3.178 -1.000 1.00 0.38 C ATOM 341 CD2 LEU A 616 -0.963 -5.075 -0.877 1.00 0.40 C ATOM 0 H LEU A 616 -4.470 -6.379 2.173 1.00 0.14 H new ATOM 0 HA LEU A 616 -5.079 -5.426 -0.524 1.00 0.16 H new ATOM 0 HB2 LEU A 616 -3.371 -4.362 1.004 1.00 0.21 H new ATOM 0 HB3 LEU A 616 -2.432 -5.838 0.913 1.00 0.21 H new ATOM 0 HG LEU A 616 -2.902 -5.141 -1.765 1.00 0.22 H new ATOM 0 HD11 LEU A 616 -2.084 -2.824 -1.899 1.00 0.38 H new ATOM 0 HD12 LEU A 616 -3.647 -2.924 -1.053 1.00 0.38 H new ATOM 0 HD13 LEU A 616 -2.144 -2.703 -0.125 1.00 0.38 H new ATOM 0 HD21 LEU A 616 -0.478 -4.697 -1.777 1.00 0.40 H new ATOM 0 HD22 LEU A 616 -0.482 -4.646 0.002 1.00 0.40 H new ATOM 0 HD23 LEU A 616 -0.874 -6.161 -0.846 1.00 0.40 H new ATOM 353 N TYR A 617 -4.497 -7.393 -1.879 1.00 0.14 N ATOM 354 CA TYR A 617 -4.251 -8.576 -2.697 1.00 0.16 C ATOM 355 C TYR A 617 -2.990 -8.404 -3.540 1.00 0.21 C ATOM 356 O TYR A 617 -2.845 -7.417 -4.258 1.00 0.22 O ATOM 357 CB TYR A 617 -5.450 -8.847 -3.609 1.00 0.16 C ATOM 358 CG TYR A 617 -6.544 -9.666 -2.959 1.00 0.20 C ATOM 359 CD1 TYR A 617 -7.181 -9.217 -1.808 1.00 0.29 C ATOM 360 CD2 TYR A 617 -6.935 -10.889 -3.490 1.00 0.31 C ATOM 361 CE1 TYR A 617 -8.178 -9.963 -1.208 1.00 0.34 C ATOM 362 CE2 TYR A 617 -7.932 -11.639 -2.895 1.00 0.37 C ATOM 363 CZ TYR A 617 -8.560 -11.171 -1.770 1.00 0.34 C ATOM 364 OH TYR A 617 -9.542 -11.916 -1.159 1.00 0.43 O ATOM 0 H TYR A 617 -5.009 -6.652 -2.358 1.00 0.14 H new ATOM 0 HA TYR A 617 -4.108 -9.425 -2.029 1.00 0.16 H new ATOM 0 HB2 TYR A 617 -5.868 -7.895 -3.935 1.00 0.16 H new ATOM 0 HB3 TYR A 617 -5.104 -9.366 -4.503 1.00 0.16 H new ATOM 0 HD1 TYR A 617 -6.892 -8.270 -1.376 1.00 0.29 H new ATOM 0 HD2 TYR A 617 -6.452 -11.260 -4.382 1.00 0.31 H new ATOM 0 HE1 TYR A 617 -8.656 -9.607 -0.307 1.00 0.34 H new ATOM 0 HE2 TYR A 617 -8.216 -12.592 -3.316 1.00 0.37 H new ATOM 0 HH TYR A 617 -9.699 -12.735 -1.673 1.00 0.43 H new ATOM 374 N LYS A 618 -2.084 -9.371 -3.449 1.00 0.27 N ATOM 375 CA LYS A 618 -0.837 -9.325 -4.207 1.00 0.34 C ATOM 376 C LYS A 618 -1.095 -9.539 -5.694 1.00 0.33 C ATOM 377 O LYS A 618 -0.375 -9.009 -6.541 1.00 0.37 O ATOM 378 CB LYS A 618 0.137 -10.385 -3.691 1.00 0.44 C ATOM 379 CG LYS A 618 1.265 -9.817 -2.848 1.00 0.80 C ATOM 380 CD LYS A 618 0.858 -9.687 -1.390 1.00 1.13 C ATOM 381 CE LYS A 618 0.689 -8.232 -0.985 1.00 1.56 C ATOM 382 NZ LYS A 618 1.908 -7.428 -1.274 1.00 2.48 N ATOM 0 H LYS A 618 -2.189 -10.196 -2.859 1.00 0.27 H new ATOM 0 HA LYS A 618 -0.396 -8.338 -4.071 1.00 0.34 H new ATOM 0 HB2 LYS A 618 -0.415 -11.116 -3.099 1.00 0.44 H new ATOM 0 HB3 LYS A 618 0.563 -10.919 -4.540 1.00 0.44 H new ATOM 0 HG2 LYS A 618 2.140 -10.462 -2.927 1.00 0.80 H new ATOM 0 HG3 LYS A 618 1.554 -8.840 -3.235 1.00 0.80 H new ATOM 0 HD2 LYS A 618 -0.076 -10.223 -1.223 1.00 1.13 H new ATOM 0 HD3 LYS A 618 1.612 -10.156 -0.758 1.00 1.13 H new ATOM 0 HE2 LYS A 618 -0.162 -7.804 -1.516 1.00 1.56 H new ATOM 0 HE3 LYS A 618 0.462 -8.176 0.080 1.00 1.56 H new ATOM 0 HZ1 LYS A 618 2.127 -6.823 -0.457 1.00 2.48 H new ATOM 0 HZ2 LYS A 618 2.709 -8.066 -1.457 1.00 2.48 H new ATOM 0 HZ3 LYS A 618 1.741 -6.833 -2.110 1.00 2.48 H new ATOM 396 N GLU A 619 -2.120 -10.328 -6.004 1.00 0.31 N ATOM 397 CA GLU A 619 -2.473 -10.626 -7.390 1.00 0.34 C ATOM 398 C GLU A 619 -2.731 -9.349 -8.188 1.00 0.30 C ATOM 399 O GLU A 619 -2.678 -9.358 -9.419 1.00 0.34 O ATOM 400 CB GLU A 619 -3.711 -11.525 -7.440 1.00 0.35 C ATOM 401 CG GLU A 619 -4.790 -11.134 -6.444 1.00 1.04 C ATOM 402 CD GLU A 619 -6.151 -10.969 -7.093 1.00 1.45 C ATOM 403 OE1 GLU A 619 -6.644 -11.946 -7.694 1.00 2.07 O ATOM 404 OE2 GLU A 619 -6.724 -9.863 -6.998 1.00 1.68 O ATOM 0 H GLU A 619 -2.723 -10.774 -5.312 1.00 0.31 H new ATOM 0 HA GLU A 619 -1.628 -11.146 -7.842 1.00 0.34 H new ATOM 0 HB2 GLU A 619 -4.130 -11.496 -8.446 1.00 0.35 H new ATOM 0 HB3 GLU A 619 -3.409 -12.555 -7.250 1.00 0.35 H new ATOM 0 HG2 GLU A 619 -4.853 -11.894 -5.665 1.00 1.04 H new ATOM 0 HG3 GLU A 619 -4.508 -10.201 -5.957 1.00 1.04 H new ATOM 411 N ARG A 620 -3.014 -8.256 -7.487 1.00 0.25 N ATOM 412 CA ARG A 620 -3.284 -6.980 -8.143 1.00 0.25 C ATOM 413 C ARG A 620 -2.286 -5.910 -7.705 1.00 0.27 C ATOM 414 O ARG A 620 -2.012 -4.965 -8.446 1.00 0.29 O ATOM 415 CB ARG A 620 -4.712 -6.521 -7.842 1.00 0.25 C ATOM 416 CG ARG A 620 -5.761 -7.187 -8.717 1.00 0.38 C ATOM 417 CD ARG A 620 -7.141 -6.597 -8.480 1.00 0.55 C ATOM 418 NE ARG A 620 -7.778 -6.181 -9.726 1.00 0.88 N ATOM 419 CZ ARG A 620 -9.093 -6.043 -9.876 1.00 0.95 C ATOM 420 NH1 ARG A 620 -9.910 -6.287 -8.859 1.00 1.77 N ATOM 421 NH2 ARG A 620 -9.592 -5.662 -11.043 1.00 1.17 N ATOM 0 H ARG A 620 -3.062 -8.227 -6.469 1.00 0.25 H new ATOM 0 HA ARG A 620 -3.174 -7.126 -9.218 1.00 0.25 H new ATOM 0 HB2 ARG A 620 -4.939 -6.728 -6.796 1.00 0.25 H new ATOM 0 HB3 ARG A 620 -4.773 -5.441 -7.974 1.00 0.25 H new ATOM 0 HG2 ARG A 620 -5.489 -7.069 -9.766 1.00 0.38 H new ATOM 0 HG3 ARG A 620 -5.782 -8.257 -8.511 1.00 0.38 H new ATOM 0 HD2 ARG A 620 -7.769 -7.334 -7.980 1.00 0.55 H new ATOM 0 HD3 ARG A 620 -7.059 -5.741 -7.811 1.00 0.55 H new ATOM 0 HE ARG A 620 -7.180 -5.985 -10.529 1.00 0.88 H new ATOM 0 HH11 ARG A 620 -9.530 -6.581 -7.959 1.00 1.77 H new ATOM 0 HH12 ARG A 620 -10.917 -6.180 -8.977 1.00 1.77 H new ATOM 0 HH21 ARG A 620 -8.968 -5.474 -11.828 1.00 1.17 H new ATOM 0 HH22 ARG A 620 -10.600 -5.557 -11.157 1.00 1.17 H new ATOM 435 N PHE A 621 -1.747 -6.063 -6.500 1.00 0.31 N ATOM 436 CA PHE A 621 -0.780 -5.108 -5.963 1.00 0.38 C ATOM 437 C PHE A 621 0.494 -5.086 -6.801 1.00 0.33 C ATOM 438 O PHE A 621 1.283 -4.143 -6.721 1.00 0.34 O ATOM 439 CB PHE A 621 -0.439 -5.437 -4.509 1.00 0.53 C ATOM 440 CG PHE A 621 0.377 -4.369 -3.832 1.00 0.75 C ATOM 441 CD1 PHE A 621 -0.117 -3.079 -3.704 1.00 0.87 C ATOM 442 CD2 PHE A 621 1.635 -4.654 -3.326 1.00 0.96 C ATOM 443 CE1 PHE A 621 0.629 -2.096 -3.083 1.00 1.13 C ATOM 444 CE2 PHE A 621 2.385 -3.674 -2.704 1.00 1.21 C ATOM 445 CZ PHE A 621 1.881 -2.393 -2.583 1.00 1.27 C ATOM 0 H PHE A 621 -1.963 -6.840 -5.875 1.00 0.31 H new ATOM 0 HA PHE A 621 -1.239 -4.120 -6.002 1.00 0.38 H new ATOM 0 HB2 PHE A 621 -1.364 -5.586 -3.951 1.00 0.53 H new ATOM 0 HB3 PHE A 621 0.109 -6.379 -4.476 1.00 0.53 H new ATOM 0 HD1 PHE A 621 -1.095 -2.841 -4.094 1.00 0.87 H new ATOM 0 HD2 PHE A 621 2.034 -5.653 -3.419 1.00 0.96 H new ATOM 0 HE1 PHE A 621 0.233 -1.096 -2.989 1.00 1.13 H new ATOM 0 HE2 PHE A 621 3.364 -3.909 -2.313 1.00 1.21 H new ATOM 0 HZ PHE A 621 2.466 -1.625 -2.098 1.00 1.27 H new ATOM 455 N LYS A 622 0.696 -6.136 -7.595 1.00 0.33 N ATOM 456 CA LYS A 622 1.881 -6.246 -8.445 1.00 0.39 C ATOM 457 C LYS A 622 2.108 -4.973 -9.261 1.00 0.38 C ATOM 458 O LYS A 622 3.195 -4.756 -9.795 1.00 0.48 O ATOM 459 CB LYS A 622 1.746 -7.447 -9.384 1.00 0.48 C ATOM 460 CG LYS A 622 1.863 -8.788 -8.680 1.00 1.26 C ATOM 461 CD LYS A 622 1.034 -9.857 -9.376 1.00 2.09 C ATOM 462 CE LYS A 622 1.816 -10.529 -10.494 1.00 2.24 C ATOM 463 NZ LYS A 622 1.506 -9.934 -11.822 1.00 2.99 N ATOM 0 H LYS A 622 0.053 -6.925 -7.668 1.00 0.33 H new ATOM 0 HA LYS A 622 2.744 -6.388 -7.794 1.00 0.39 H new ATOM 0 HB2 LYS A 622 0.782 -7.395 -9.890 1.00 0.48 H new ATOM 0 HB3 LYS A 622 2.514 -7.383 -10.155 1.00 0.48 H new ATOM 0 HG2 LYS A 622 2.908 -9.096 -8.654 1.00 1.26 H new ATOM 0 HG3 LYS A 622 1.534 -8.687 -7.646 1.00 1.26 H new ATOM 0 HD2 LYS A 622 0.720 -10.606 -8.649 1.00 2.09 H new ATOM 0 HD3 LYS A 622 0.128 -9.408 -9.783 1.00 2.09 H new ATOM 0 HE2 LYS A 622 2.884 -10.438 -10.296 1.00 2.24 H new ATOM 0 HE3 LYS A 622 1.584 -11.594 -10.510 1.00 2.24 H new ATOM 0 HZ1 LYS A 622 2.059 -10.419 -12.557 1.00 2.99 H new ATOM 0 HZ2 LYS A 622 0.491 -10.043 -12.023 1.00 2.99 H new ATOM 0 HZ3 LYS A 622 1.751 -8.923 -11.815 1.00 2.99 H new ATOM 477 N GLN A 623 1.080 -4.132 -9.352 1.00 0.35 N ATOM 478 CA GLN A 623 1.178 -2.883 -10.100 1.00 0.46 C ATOM 479 C GLN A 623 0.938 -1.680 -9.188 1.00 0.49 C ATOM 480 O GLN A 623 1.269 -0.548 -9.539 1.00 0.63 O ATOM 481 CB GLN A 623 0.173 -2.870 -11.254 1.00 0.55 C ATOM 482 CG GLN A 623 -0.482 -4.218 -11.518 1.00 0.68 C ATOM 483 CD GLN A 623 -0.006 -4.857 -12.809 1.00 0.92 C ATOM 484 OE1 GLN A 623 0.777 -4.270 -13.555 1.00 1.48 O ATOM 485 NE2 GLN A 623 -0.479 -6.069 -13.078 1.00 1.27 N ATOM 0 H GLN A 623 0.171 -4.293 -8.917 1.00 0.35 H new ATOM 0 HA GLN A 623 2.187 -2.814 -10.507 1.00 0.46 H new ATOM 0 HB2 GLN A 623 -0.603 -2.136 -11.038 1.00 0.55 H new ATOM 0 HB3 GLN A 623 0.680 -2.540 -12.161 1.00 0.55 H new ATOM 0 HG2 GLN A 623 -0.271 -4.889 -10.686 1.00 0.68 H new ATOM 0 HG3 GLN A 623 -1.564 -4.090 -11.558 1.00 0.68 H new ATOM 0 HE21 GLN A 623 -1.127 -6.519 -12.431 1.00 1.27 H new ATOM 0 HE22 GLN A 623 -0.194 -6.550 -13.931 1.00 1.27 H new ATOM 494 N GLY A 624 0.369 -1.939 -8.014 1.00 0.42 N ATOM 495 CA GLY A 624 0.103 -0.872 -7.062 1.00 0.47 C ATOM 496 C GLY A 624 -1.212 -0.160 -7.322 1.00 0.66 C ATOM 497 O GLY A 624 -2.270 -0.788 -7.352 1.00 1.40 O ATOM 0 H GLY A 624 0.087 -2.869 -7.704 1.00 0.42 H new ATOM 0 HA2 GLY A 624 0.092 -1.286 -6.054 1.00 0.47 H new ATOM 0 HA3 GLY A 624 0.916 -0.147 -7.100 1.00 0.47 H new ATOM 501 N THR A 625 -1.142 1.158 -7.493 1.00 0.31 N ATOM 502 CA THR A 625 -2.330 1.971 -7.735 1.00 0.32 C ATOM 503 C THR A 625 -2.923 1.742 -9.127 1.00 0.34 C ATOM 504 O THR A 625 -3.710 2.556 -9.611 1.00 0.61 O ATOM 505 CB THR A 625 -2.019 3.471 -7.565 1.00 0.34 C ATOM 506 OG1 THR A 625 -3.231 4.233 -7.611 1.00 0.91 O ATOM 507 CG2 THR A 625 -1.068 3.957 -8.649 1.00 0.76 C ATOM 0 H THR A 625 -0.270 1.687 -7.468 1.00 0.31 H new ATOM 0 HA THR A 625 -3.065 1.659 -6.993 1.00 0.32 H new ATOM 0 HB THR A 625 -1.539 3.609 -6.596 1.00 0.34 H new ATOM 0 HG1 THR A 625 -3.795 3.906 -8.342 1.00 0.91 H new ATOM 0 HG21 THR A 625 -0.865 5.018 -8.506 1.00 0.76 H new ATOM 0 HG22 THR A 625 -0.134 3.398 -8.591 1.00 0.76 H new ATOM 0 HG23 THR A 625 -1.523 3.803 -9.628 1.00 0.76 H new ATOM 515 N SER A 626 -2.557 0.636 -9.767 1.00 0.37 N ATOM 516 CA SER A 626 -3.073 0.325 -11.096 1.00 0.37 C ATOM 517 C SER A 626 -4.202 -0.699 -11.015 1.00 0.31 C ATOM 518 O SER A 626 -4.778 -1.083 -12.032 1.00 0.31 O ATOM 519 CB SER A 626 -1.953 -0.204 -11.991 1.00 0.43 C ATOM 520 OG SER A 626 -0.897 0.733 -12.093 1.00 0.92 O ATOM 0 H SER A 626 -1.909 -0.056 -9.390 1.00 0.37 H new ATOM 0 HA SER A 626 -3.469 1.244 -11.528 1.00 0.37 H new ATOM 0 HB2 SER A 626 -1.573 -1.142 -11.587 1.00 0.43 H new ATOM 0 HB3 SER A 626 -2.348 -0.421 -12.983 1.00 0.43 H new ATOM 0 HG SER A 626 -0.192 0.370 -12.669 1.00 0.92 H new ATOM 526 N LYS A 627 -4.516 -1.127 -9.794 1.00 0.30 N ATOM 527 CA LYS A 627 -5.576 -2.099 -9.563 1.00 0.31 C ATOM 528 C LYS A 627 -6.079 -2.028 -8.126 1.00 0.32 C ATOM 529 O LYS A 627 -5.340 -1.655 -7.215 1.00 0.47 O ATOM 530 CB LYS A 627 -5.084 -3.510 -9.871 1.00 0.36 C ATOM 531 CG LYS A 627 -5.240 -3.877 -11.330 1.00 0.41 C ATOM 532 CD LYS A 627 -3.930 -4.348 -11.929 1.00 0.86 C ATOM 533 CE LYS A 627 -4.035 -4.518 -13.436 1.00 1.24 C ATOM 534 NZ LYS A 627 -4.849 -5.709 -13.804 1.00 1.87 N ATOM 0 H LYS A 627 -4.046 -0.812 -8.945 1.00 0.30 H new ATOM 0 HA LYS A 627 -6.402 -1.857 -10.231 1.00 0.31 H new ATOM 0 HB2 LYS A 627 -4.034 -3.594 -9.590 1.00 0.36 H new ATOM 0 HB3 LYS A 627 -5.636 -4.224 -9.260 1.00 0.36 H new ATOM 0 HG2 LYS A 627 -5.990 -4.662 -11.430 1.00 0.41 H new ATOM 0 HG3 LYS A 627 -5.606 -3.014 -11.886 1.00 0.41 H new ATOM 0 HD2 LYS A 627 -3.144 -3.630 -11.697 1.00 0.86 H new ATOM 0 HD3 LYS A 627 -3.641 -5.295 -11.474 1.00 0.86 H new ATOM 0 HE2 LYS A 627 -4.481 -3.624 -13.872 1.00 1.24 H new ATOM 0 HE3 LYS A 627 -3.036 -4.615 -13.861 1.00 1.24 H new ATOM 0 HZ1 LYS A 627 -4.897 -5.790 -14.840 1.00 1.87 H new ATOM 0 HZ2 LYS A 627 -4.410 -6.565 -13.409 1.00 1.87 H new ATOM 0 HZ3 LYS A 627 -5.810 -5.605 -13.420 1.00 1.87 H new ATOM 548 N LYS A 628 -7.341 -2.394 -7.933 1.00 0.28 N ATOM 549 CA LYS A 628 -7.950 -2.381 -6.608 1.00 0.29 C ATOM 550 C LYS A 628 -7.787 -3.737 -5.930 1.00 0.28 C ATOM 551 O LYS A 628 -8.500 -4.687 -6.247 1.00 0.45 O ATOM 552 CB LYS A 628 -9.432 -2.015 -6.699 1.00 0.32 C ATOM 553 CG LYS A 628 -10.068 -2.380 -8.026 1.00 1.00 C ATOM 554 CD LYS A 628 -10.281 -1.155 -8.900 1.00 1.24 C ATOM 555 CE LYS A 628 -11.737 -0.717 -8.897 1.00 1.55 C ATOM 556 NZ LYS A 628 -11.920 0.598 -8.222 1.00 2.32 N ATOM 0 H LYS A 628 -7.964 -2.704 -8.679 1.00 0.28 H new ATOM 0 HA LYS A 628 -7.441 -1.626 -6.009 1.00 0.29 H new ATOM 0 HB2 LYS A 628 -9.972 -2.518 -5.897 1.00 0.32 H new ATOM 0 HB3 LYS A 628 -9.544 -0.943 -6.535 1.00 0.32 H new ATOM 0 HG2 LYS A 628 -9.434 -3.095 -8.550 1.00 1.00 H new ATOM 0 HG3 LYS A 628 -11.024 -2.872 -7.849 1.00 1.00 H new ATOM 0 HD2 LYS A 628 -9.653 -0.338 -8.544 1.00 1.24 H new ATOM 0 HD3 LYS A 628 -9.968 -1.376 -9.921 1.00 1.24 H new ATOM 0 HE2 LYS A 628 -12.099 -0.652 -9.923 1.00 1.55 H new ATOM 0 HE3 LYS A 628 -12.342 -1.471 -8.393 1.00 1.55 H new ATOM 0 HZ1 LYS A 628 -12.926 0.861 -8.241 1.00 2.32 H new ATOM 0 HZ2 LYS A 628 -11.599 0.529 -7.235 1.00 2.32 H new ATOM 0 HZ3 LYS A 628 -11.363 1.323 -8.718 1.00 2.32 H new ATOM 570 N CYS A 629 -6.834 -3.823 -5.007 1.00 0.18 N ATOM 571 CA CYS A 629 -6.571 -5.071 -4.299 1.00 0.17 C ATOM 572 C CYS A 629 -6.931 -4.966 -2.820 1.00 0.16 C ATOM 573 O CYS A 629 -6.741 -5.914 -2.061 1.00 0.17 O ATOM 574 CB CYS A 629 -5.096 -5.451 -4.447 1.00 0.20 C ATOM 575 SG CYS A 629 -4.003 -4.048 -4.774 1.00 0.33 S ATOM 0 H CYS A 629 -6.233 -3.046 -4.733 1.00 0.18 H new ATOM 0 HA CYS A 629 -7.198 -5.845 -4.742 1.00 0.17 H new ATOM 0 HB2 CYS A 629 -4.767 -5.950 -3.535 1.00 0.20 H new ATOM 0 HB3 CYS A 629 -4.997 -6.172 -5.258 1.00 0.20 H new ATOM 0 HG CYS A 629 -3.000 -4.078 -3.948 1.00 0.33 H new ATOM 581 N ILE A 630 -7.456 -3.815 -2.413 1.00 0.16 N ATOM 582 CA ILE A 630 -7.838 -3.607 -1.019 1.00 0.18 C ATOM 583 C ILE A 630 -9.321 -3.887 -0.803 1.00 0.18 C ATOM 584 O ILE A 630 -10.180 -3.154 -1.291 1.00 0.21 O ATOM 585 CB ILE A 630 -7.516 -2.171 -0.551 1.00 0.21 C ATOM 586 CG1 ILE A 630 -6.004 -1.979 -0.431 1.00 0.22 C ATOM 587 CG2 ILE A 630 -8.193 -1.877 0.779 1.00 0.29 C ATOM 588 CD1 ILE A 630 -5.530 -0.614 -0.880 1.00 0.31 C ATOM 0 H ILE A 630 -7.626 -3.016 -3.024 1.00 0.16 H new ATOM 0 HA ILE A 630 -7.253 -4.310 -0.426 1.00 0.18 H new ATOM 0 HB ILE A 630 -7.900 -1.472 -1.294 1.00 0.21 H new ATOM 0 HG12 ILE A 630 -5.707 -2.134 0.606 1.00 0.22 H new ATOM 0 HG13 ILE A 630 -5.501 -2.743 -1.024 1.00 0.22 H new ATOM 0 HG21 ILE A 630 -7.954 -0.861 1.092 1.00 0.29 H new ATOM 0 HG22 ILE A 630 -9.273 -1.978 0.668 1.00 0.29 H new ATOM 0 HG23 ILE A 630 -7.838 -2.581 1.531 1.00 0.29 H new ATOM 0 HD11 ILE A 630 -4.448 -0.549 -0.767 1.00 0.31 H new ATOM 0 HD12 ILE A 630 -5.795 -0.463 -1.926 1.00 0.31 H new ATOM 0 HD13 ILE A 630 -6.005 0.155 -0.271 1.00 0.31 H new ATOM 600 N GLN A 631 -9.613 -4.947 -0.057 1.00 0.23 N ATOM 601 CA GLN A 631 -10.990 -5.320 0.236 1.00 0.27 C ATOM 602 C GLN A 631 -11.426 -4.740 1.576 1.00 0.29 C ATOM 603 O GLN A 631 -10.911 -5.124 2.627 1.00 0.34 O ATOM 604 CB GLN A 631 -11.135 -6.843 0.251 1.00 0.35 C ATOM 605 CG GLN A 631 -12.561 -7.317 0.485 1.00 0.41 C ATOM 606 CD GLN A 631 -12.624 -8.629 1.243 1.00 0.60 C ATOM 607 OE1 GLN A 631 -12.058 -8.760 2.330 1.00 1.15 O ATOM 608 NE2 GLN A 631 -13.313 -9.611 0.672 1.00 0.77 N ATOM 0 H GLN A 631 -8.913 -5.563 0.356 1.00 0.23 H new ATOM 0 HA GLN A 631 -11.631 -4.913 -0.546 1.00 0.27 H new ATOM 0 HB2 GLN A 631 -10.779 -7.243 -0.699 1.00 0.35 H new ATOM 0 HB3 GLN A 631 -10.492 -7.253 1.030 1.00 0.35 H new ATOM 0 HG2 GLN A 631 -13.107 -6.554 1.041 1.00 0.41 H new ATOM 0 HG3 GLN A 631 -13.064 -7.432 -0.475 1.00 0.41 H new ATOM 0 HE21 GLN A 631 -13.766 -9.459 -0.229 1.00 0.77 H new ATOM 0 HE22 GLN A 631 -13.389 -10.517 1.135 1.00 0.77 H new ATOM 617 N SER A 632 -12.375 -3.812 1.530 1.00 0.28 N ATOM 618 CA SER A 632 -12.882 -3.174 2.736 1.00 0.32 C ATOM 619 C SER A 632 -14.407 -3.254 2.785 1.00 0.56 C ATOM 620 O SER A 632 -15.040 -3.682 1.820 1.00 0.83 O ATOM 621 CB SER A 632 -12.436 -1.712 2.788 1.00 0.70 C ATOM 622 OG SER A 632 -11.025 -1.612 2.886 1.00 1.80 O ATOM 0 H SER A 632 -12.809 -3.485 0.667 1.00 0.28 H new ATOM 0 HA SER A 632 -12.476 -3.701 3.600 1.00 0.32 H new ATOM 0 HB2 SER A 632 -12.779 -1.192 1.894 1.00 0.70 H new ATOM 0 HB3 SER A 632 -12.899 -1.217 3.642 1.00 0.70 H new ATOM 0 HG SER A 632 -10.790 -1.006 3.619 1.00 1.80 H new ATOM 677 N LYS A 636 -15.902 -5.049 -0.909 1.00 0.37 N ATOM 678 CA LYS A 636 -15.687 -4.015 -1.915 1.00 0.37 C ATOM 679 C LYS A 636 -14.205 -3.685 -2.042 1.00 0.31 C ATOM 680 O LYS A 636 -13.557 -3.309 -1.067 1.00 0.36 O ATOM 681 CB LYS A 636 -16.480 -2.754 -1.570 1.00 0.51 C ATOM 682 CG LYS A 636 -17.577 -2.434 -2.573 1.00 0.90 C ATOM 683 CD LYS A 636 -17.095 -1.460 -3.636 1.00 0.81 C ATOM 684 CE LYS A 636 -16.968 -2.134 -4.992 1.00 1.13 C ATOM 685 NZ LYS A 636 -17.269 -1.197 -6.109 1.00 1.60 N ATOM 0 HA LYS A 636 -16.040 -4.398 -2.873 1.00 0.37 H new ATOM 0 HB2 LYS A 636 -16.925 -2.873 -0.582 1.00 0.51 H new ATOM 0 HB3 LYS A 636 -15.795 -1.908 -1.511 1.00 0.51 H new ATOM 0 HG2 LYS A 636 -17.916 -3.354 -3.049 1.00 0.90 H new ATOM 0 HG3 LYS A 636 -18.435 -2.010 -2.052 1.00 0.90 H new ATOM 0 HD2 LYS A 636 -17.791 -0.624 -3.708 1.00 0.81 H new ATOM 0 HD3 LYS A 636 -16.130 -1.047 -3.342 1.00 0.81 H new ATOM 0 HE2 LYS A 636 -15.958 -2.526 -5.109 1.00 1.13 H new ATOM 0 HE3 LYS A 636 -17.647 -2.985 -5.039 1.00 1.13 H new ATOM 0 HZ1 LYS A 636 -17.171 -1.696 -7.016 1.00 1.60 H new ATOM 0 HZ2 LYS A 636 -18.242 -0.842 -6.012 1.00 1.60 H new ATOM 0 HZ3 LYS A 636 -16.605 -0.397 -6.080 1.00 1.60 H new ATOM 699 N TRP A 637 -13.672 -3.839 -3.249 1.00 0.25 N ATOM 700 CA TRP A 637 -12.263 -3.567 -3.499 1.00 0.21 C ATOM 701 C TRP A 637 -12.059 -2.128 -3.960 1.00 0.22 C ATOM 702 O TRP A 637 -12.817 -1.615 -4.784 1.00 0.26 O ATOM 703 CB TRP A 637 -11.708 -4.545 -4.541 1.00 0.22 C ATOM 704 CG TRP A 637 -11.812 -5.987 -4.128 1.00 0.27 C ATOM 705 CD1 TRP A 637 -12.639 -6.518 -3.177 1.00 0.38 C ATOM 706 CD2 TRP A 637 -11.058 -7.086 -4.657 1.00 0.33 C ATOM 707 NE1 TRP A 637 -12.446 -7.872 -3.083 1.00 0.42 N ATOM 708 CE2 TRP A 637 -11.480 -8.246 -3.980 1.00 0.39 C ATOM 709 CE3 TRP A 637 -10.068 -7.201 -5.636 1.00 0.46 C ATOM 710 CZ2 TRP A 637 -10.947 -9.503 -4.252 1.00 0.49 C ATOM 711 CZ3 TRP A 637 -9.539 -8.449 -5.904 1.00 0.60 C ATOM 712 CH2 TRP A 637 -9.979 -9.586 -5.216 1.00 0.60 C ATOM 0 H TRP A 637 -14.194 -4.150 -4.068 1.00 0.25 H new ATOM 0 HA TRP A 637 -11.719 -3.704 -2.564 1.00 0.21 H new ATOM 0 HB2 TRP A 637 -12.244 -4.405 -5.480 1.00 0.22 H new ATOM 0 HB3 TRP A 637 -10.662 -4.305 -4.732 1.00 0.22 H new ATOM 0 HD1 TRP A 637 -13.343 -5.952 -2.585 1.00 0.38 H new ATOM 0 HE1 TRP A 637 -12.941 -8.499 -2.449 1.00 0.42 H new ATOM 0 HE3 TRP A 637 -9.722 -6.330 -6.174 1.00 0.46 H new ATOM 0 HZ2 TRP A 637 -11.285 -10.381 -3.722 1.00 0.49 H new ATOM 0 HZ3 TRP A 637 -8.772 -8.549 -6.658 1.00 0.60 H new ATOM 0 HH2 TRP A 637 -9.546 -10.547 -5.450 1.00 0.60 H new ATOM 723 N PHE A 638 -11.035 -1.480 -3.415 1.00 0.24 N ATOM 724 CA PHE A 638 -10.731 -0.096 -3.758 1.00 0.30 C ATOM 725 C PHE A 638 -9.269 0.061 -4.164 1.00 0.27 C ATOM 726 O PHE A 638 -8.409 -0.710 -3.738 1.00 0.29 O ATOM 727 CB PHE A 638 -11.026 0.822 -2.569 1.00 0.41 C ATOM 728 CG PHE A 638 -12.489 1.050 -2.318 1.00 0.29 C ATOM 729 CD1 PHE A 638 -13.266 0.058 -1.744 1.00 0.62 C ATOM 730 CD2 PHE A 638 -13.089 2.251 -2.664 1.00 0.76 C ATOM 731 CE1 PHE A 638 -14.613 0.257 -1.517 1.00 0.69 C ATOM 732 CE2 PHE A 638 -14.437 2.457 -2.440 1.00 0.87 C ATOM 733 CZ PHE A 638 -15.192 1.484 -1.840 1.00 0.59 C ATOM 0 H PHE A 638 -10.400 -1.893 -2.732 1.00 0.24 H new ATOM 0 HA PHE A 638 -11.362 0.183 -4.602 1.00 0.30 H new ATOM 0 HB2 PHE A 638 -10.577 0.393 -1.673 1.00 0.41 H new ATOM 0 HB3 PHE A 638 -10.543 1.784 -2.738 1.00 0.41 H new ATOM 0 HD1 PHE A 638 -12.812 -0.883 -1.470 1.00 0.62 H new ATOM 0 HD2 PHE A 638 -12.496 3.034 -3.113 1.00 0.76 H new ATOM 0 HE1 PHE A 638 -15.215 -0.533 -1.092 1.00 0.69 H new ATOM 0 HE2 PHE A 638 -14.897 3.388 -2.739 1.00 0.87 H new ATOM 0 HZ PHE A 638 -16.233 1.667 -1.618 1.00 0.59 H new ATOM 743 N THR A 639 -8.997 1.079 -4.974 1.00 0.25 N ATOM 744 CA THR A 639 -7.639 1.360 -5.423 1.00 0.25 C ATOM 745 C THR A 639 -6.952 2.302 -4.438 1.00 0.22 C ATOM 746 O THR A 639 -7.624 3.043 -3.730 1.00 0.21 O ATOM 747 CB THR A 639 -7.636 2.002 -6.826 1.00 0.30 C ATOM 748 OG1 THR A 639 -8.981 2.202 -7.274 1.00 0.37 O ATOM 749 CG2 THR A 639 -6.890 1.130 -7.824 1.00 0.39 C ATOM 0 H THR A 639 -9.701 1.724 -5.333 1.00 0.25 H new ATOM 0 HA THR A 639 -7.099 0.414 -5.473 1.00 0.25 H new ATOM 0 HB THR A 639 -7.126 2.963 -6.758 1.00 0.30 H new ATOM 0 HG1 THR A 639 -8.972 2.611 -8.164 1.00 0.37 H new ATOM 0 HG21 THR A 639 -6.903 1.606 -8.804 1.00 0.39 H new ATOM 0 HG22 THR A 639 -5.858 1.003 -7.496 1.00 0.39 H new ATOM 0 HG23 THR A 639 -7.373 0.155 -7.888 1.00 0.39 H new ATOM 757 N PRO A 640 -5.606 2.288 -4.368 1.00 0.23 N ATOM 758 CA PRO A 640 -4.858 3.155 -3.448 1.00 0.23 C ATOM 759 C PRO A 640 -5.318 4.611 -3.506 1.00 0.21 C ATOM 760 O PRO A 640 -5.085 5.382 -2.575 1.00 0.22 O ATOM 761 CB PRO A 640 -3.418 3.021 -3.937 1.00 0.27 C ATOM 762 CG PRO A 640 -3.360 1.657 -4.532 1.00 0.30 C ATOM 763 CD PRO A 640 -4.707 1.429 -5.165 1.00 0.27 C ATOM 0 HA PRO A 640 -4.999 2.864 -2.407 1.00 0.23 H new ATOM 0 HB2 PRO A 640 -3.174 3.787 -4.673 1.00 0.27 H new ATOM 0 HB3 PRO A 640 -2.707 3.129 -3.118 1.00 0.27 H new ATOM 0 HG2 PRO A 640 -2.563 1.587 -5.272 1.00 0.30 H new ATOM 0 HG3 PRO A 640 -3.154 0.906 -3.769 1.00 0.30 H new ATOM 0 HD2 PRO A 640 -4.710 1.711 -6.218 1.00 0.27 H new ATOM 0 HD3 PRO A 640 -5.003 0.381 -5.115 1.00 0.27 H new ATOM 771 N ARG A 641 -5.982 4.977 -4.599 1.00 0.20 N ATOM 772 CA ARG A 641 -6.483 6.336 -4.771 1.00 0.21 C ATOM 773 C ARG A 641 -7.842 6.495 -4.091 1.00 0.19 C ATOM 774 O ARG A 641 -8.047 7.413 -3.296 1.00 0.23 O ATOM 775 CB ARG A 641 -6.588 6.673 -6.263 1.00 0.25 C ATOM 776 CG ARG A 641 -7.663 7.699 -6.596 1.00 0.27 C ATOM 777 CD ARG A 641 -7.232 9.106 -6.216 1.00 0.62 C ATOM 778 NE ARG A 641 -7.468 10.060 -7.296 1.00 1.36 N ATOM 779 CZ ARG A 641 -6.500 10.727 -7.916 1.00 1.81 C ATOM 780 NH1 ARG A 641 -5.235 10.550 -7.560 1.00 2.09 N ATOM 781 NH2 ARG A 641 -6.797 11.573 -8.894 1.00 2.60 N ATOM 0 H ARG A 641 -6.185 4.351 -5.378 1.00 0.20 H new ATOM 0 HA ARG A 641 -5.783 7.029 -4.304 1.00 0.21 H new ATOM 0 HB2 ARG A 641 -5.624 7.048 -6.608 1.00 0.25 H new ATOM 0 HB3 ARG A 641 -6.791 5.757 -6.818 1.00 0.25 H new ATOM 0 HG2 ARG A 641 -7.884 7.661 -7.663 1.00 0.27 H new ATOM 0 HG3 ARG A 641 -8.584 7.446 -6.070 1.00 0.27 H new ATOM 0 HD2 ARG A 641 -7.775 9.424 -5.326 1.00 0.62 H new ATOM 0 HD3 ARG A 641 -6.173 9.104 -5.959 1.00 0.62 H new ATOM 0 HE ARG A 641 -8.430 10.224 -7.591 1.00 1.36 H new ATOM 0 HH11 ARG A 641 -5.003 9.901 -6.809 1.00 2.09 H new ATOM 0 HH12 ARG A 641 -4.494 11.063 -8.038 1.00 2.09 H new ATOM 0 HH21 ARG A 641 -7.769 11.712 -9.171 1.00 2.60 H new ATOM 0 HH22 ARG A 641 -6.053 12.084 -9.369 1.00 2.60 H new ATOM 795 N GLU A 642 -8.765 5.589 -4.403 1.00 0.20 N ATOM 796 CA GLU A 642 -10.102 5.622 -3.819 1.00 0.23 C ATOM 797 C GLU A 642 -10.042 5.310 -2.328 1.00 0.23 C ATOM 798 O GLU A 642 -10.929 5.688 -1.563 1.00 0.26 O ATOM 799 CB GLU A 642 -11.020 4.625 -4.528 1.00 0.26 C ATOM 800 CG GLU A 642 -11.981 5.277 -5.509 1.00 0.63 C ATOM 801 CD GLU A 642 -12.466 4.316 -6.577 1.00 0.89 C ATOM 802 OE1 GLU A 642 -13.481 3.630 -6.340 1.00 1.60 O ATOM 803 OE2 GLU A 642 -11.828 4.251 -7.649 1.00 1.33 O ATOM 0 H GLU A 642 -8.611 4.822 -5.058 1.00 0.20 H new ATOM 0 HA GLU A 642 -10.508 6.625 -3.949 1.00 0.23 H new ATOM 0 HB2 GLU A 642 -10.409 3.896 -5.060 1.00 0.26 H new ATOM 0 HB3 GLU A 642 -11.593 4.076 -3.781 1.00 0.26 H new ATOM 0 HG2 GLU A 642 -12.839 5.671 -4.964 1.00 0.63 H new ATOM 0 HG3 GLU A 642 -11.489 6.125 -5.985 1.00 0.63 H new ATOM 810 N PHE A 643 -8.981 4.620 -1.927 1.00 0.22 N ATOM 811 CA PHE A 643 -8.779 4.250 -0.534 1.00 0.23 C ATOM 812 C PHE A 643 -8.279 5.449 0.256 1.00 0.23 C ATOM 813 O PHE A 643 -8.667 5.657 1.405 1.00 0.25 O ATOM 814 CB PHE A 643 -7.780 3.094 -0.429 1.00 0.24 C ATOM 815 CG PHE A 643 -7.975 2.235 0.788 1.00 0.21 C ATOM 816 CD1 PHE A 643 -9.237 1.781 1.139 1.00 0.26 C ATOM 817 CD2 PHE A 643 -6.895 1.878 1.580 1.00 0.27 C ATOM 818 CE1 PHE A 643 -9.418 0.989 2.256 1.00 0.35 C ATOM 819 CE2 PHE A 643 -7.070 1.087 2.699 1.00 0.33 C ATOM 820 CZ PHE A 643 -8.334 0.643 3.037 1.00 0.37 C ATOM 0 H PHE A 643 -8.242 4.304 -2.555 1.00 0.22 H new ATOM 0 HA PHE A 643 -9.732 3.924 -0.117 1.00 0.23 H new ATOM 0 HB2 PHE A 643 -7.864 2.471 -1.320 1.00 0.24 H new ATOM 0 HB3 PHE A 643 -6.768 3.500 -0.418 1.00 0.24 H new ATOM 0 HD1 PHE A 643 -10.089 2.050 0.532 1.00 0.26 H new ATOM 0 HD2 PHE A 643 -5.905 2.222 1.319 1.00 0.27 H new ATOM 0 HE1 PHE A 643 -10.406 0.641 2.518 1.00 0.35 H new ATOM 0 HE2 PHE A 643 -6.220 0.816 3.308 1.00 0.33 H new ATOM 0 HZ PHE A 643 -8.474 0.025 3.912 1.00 0.37 H new ATOM 830 N GLU A 644 -7.428 6.247 -0.380 1.00 0.22 N ATOM 831 CA GLU A 644 -6.887 7.444 0.245 1.00 0.24 C ATOM 832 C GLU A 644 -8.005 8.458 0.454 1.00 0.26 C ATOM 833 O GLU A 644 -7.988 9.241 1.403 1.00 0.29 O ATOM 834 CB GLU A 644 -5.777 8.042 -0.629 1.00 0.25 C ATOM 835 CG GLU A 644 -5.553 9.532 -0.418 1.00 0.33 C ATOM 836 CD GLU A 644 -6.232 10.381 -1.475 1.00 0.65 C ATOM 837 OE1 GLU A 644 -5.696 10.472 -2.599 1.00 1.39 O ATOM 838 OE2 GLU A 644 -7.300 10.956 -1.178 1.00 1.01 O ATOM 0 H GLU A 644 -7.098 6.084 -1.331 1.00 0.22 H new ATOM 0 HA GLU A 644 -6.458 7.183 1.213 1.00 0.24 H new ATOM 0 HB2 GLU A 644 -4.846 7.513 -0.426 1.00 0.25 H new ATOM 0 HB3 GLU A 644 -6.021 7.867 -1.677 1.00 0.25 H new ATOM 0 HG2 GLU A 644 -5.927 9.816 0.566 1.00 0.33 H new ATOM 0 HG3 GLU A 644 -4.483 9.739 -0.424 1.00 0.33 H new ATOM 845 N ILE A 645 -8.974 8.429 -0.453 1.00 0.27 N ATOM 846 CA ILE A 645 -10.114 9.332 -0.402 1.00 0.31 C ATOM 847 C ILE A 645 -11.060 8.977 0.746 1.00 0.31 C ATOM 848 O ILE A 645 -11.550 9.859 1.452 1.00 0.35 O ATOM 849 CB ILE A 645 -10.887 9.296 -1.736 1.00 0.36 C ATOM 850 CG1 ILE A 645 -10.053 9.940 -2.845 1.00 0.44 C ATOM 851 CG2 ILE A 645 -12.234 9.991 -1.604 1.00 0.43 C ATOM 852 CD1 ILE A 645 -10.547 9.625 -4.240 1.00 0.51 C ATOM 0 H ILE A 645 -8.991 7.781 -1.241 1.00 0.27 H new ATOM 0 HA ILE A 645 -9.728 10.337 -0.231 1.00 0.31 H new ATOM 0 HB ILE A 645 -11.073 8.255 -1.998 1.00 0.36 H new ATOM 0 HG12 ILE A 645 -10.052 11.021 -2.705 1.00 0.44 H new ATOM 0 HG13 ILE A 645 -9.020 9.605 -2.751 1.00 0.44 H new ATOM 0 HG21 ILE A 645 -12.759 9.952 -2.558 1.00 0.43 H new ATOM 0 HG22 ILE A 645 -12.829 9.489 -0.841 1.00 0.43 H new ATOM 0 HG23 ILE A 645 -12.080 11.031 -1.317 1.00 0.43 H new ATOM 0 HD11 ILE A 645 -9.906 10.116 -4.972 1.00 0.51 H new ATOM 0 HD12 ILE A 645 -10.522 8.547 -4.400 1.00 0.51 H new ATOM 0 HD13 ILE A 645 -11.570 9.985 -4.354 1.00 0.51 H new ATOM 864 N GLU A 646 -11.320 7.684 0.923 1.00 0.30 N ATOM 865 CA GLU A 646 -12.215 7.218 1.980 1.00 0.33 C ATOM 866 C GLU A 646 -11.501 7.154 3.329 1.00 0.27 C ATOM 867 O GLU A 646 -12.124 7.324 4.377 1.00 0.29 O ATOM 868 CB GLU A 646 -12.779 5.843 1.621 1.00 0.41 C ATOM 869 CG GLU A 646 -14.121 5.546 2.272 1.00 0.70 C ATOM 870 CD GLU A 646 -15.285 5.716 1.314 1.00 1.38 C ATOM 871 OE1 GLU A 646 -15.313 6.733 0.589 1.00 1.90 O ATOM 872 OE2 GLU A 646 -16.168 4.833 1.289 1.00 1.99 O ATOM 0 H GLU A 646 -10.924 6.940 0.348 1.00 0.30 H new ATOM 0 HA GLU A 646 -13.033 7.934 2.066 1.00 0.33 H new ATOM 0 HB2 GLU A 646 -12.887 5.775 0.538 1.00 0.41 H new ATOM 0 HB3 GLU A 646 -12.063 5.077 1.918 1.00 0.41 H new ATOM 0 HG2 GLU A 646 -14.117 4.526 2.655 1.00 0.70 H new ATOM 0 HG3 GLU A 646 -14.260 6.207 3.127 1.00 0.70 H new ATOM 879 N GLY A 647 -10.196 6.908 3.296 1.00 0.23 N ATOM 880 CA GLY A 647 -9.421 6.828 4.521 1.00 0.25 C ATOM 881 C GLY A 647 -9.092 8.196 5.084 1.00 0.28 C ATOM 882 O GLY A 647 -9.070 8.386 6.299 1.00 0.65 O ATOM 0 H GLY A 647 -9.660 6.762 2.441 1.00 0.23 H new ATOM 0 HA2 GLY A 647 -9.977 6.256 5.264 1.00 0.25 H new ATOM 0 HA3 GLY A 647 -8.496 6.285 4.328 1.00 0.25 H new ATOM 886 N ASP A 648 -8.837 9.149 4.193 1.00 0.46 N ATOM 887 CA ASP A 648 -8.507 10.510 4.601 1.00 0.53 C ATOM 888 C ASP A 648 -9.726 11.421 4.495 1.00 0.61 C ATOM 889 O ASP A 648 -10.336 11.773 5.505 1.00 1.12 O ATOM 890 CB ASP A 648 -7.366 11.064 3.747 1.00 0.61 C ATOM 891 CG ASP A 648 -7.013 12.493 4.113 1.00 1.01 C ATOM 892 OD1 ASP A 648 -7.658 13.419 3.577 1.00 1.46 O ATOM 893 OD2 ASP A 648 -6.093 12.686 4.934 1.00 1.40 O ATOM 0 H ASP A 648 -8.853 9.004 3.184 1.00 0.46 H new ATOM 0 HA ASP A 648 -8.187 10.480 5.642 1.00 0.53 H new ATOM 0 HB2 ASP A 648 -6.486 10.433 3.867 1.00 0.61 H new ATOM 0 HB3 ASP A 648 -7.648 11.020 2.695 1.00 0.61 H new ATOM 898 N ARG A 649 -10.079 11.797 3.265 1.00 0.57 N ATOM 899 CA ARG A 649 -11.229 12.668 3.032 1.00 0.66 C ATOM 900 C ARG A 649 -11.490 12.857 1.541 1.00 0.72 C ATOM 901 O ARG A 649 -12.633 13.046 1.123 1.00 0.89 O ATOM 902 CB ARG A 649 -11.014 14.031 3.697 1.00 0.76 C ATOM 903 CG ARG A 649 -12.306 14.719 4.110 1.00 0.97 C ATOM 904 CD ARG A 649 -13.084 13.892 5.123 1.00 1.41 C ATOM 905 NE ARG A 649 -13.000 14.451 6.470 1.00 1.88 N ATOM 906 CZ ARG A 649 -13.934 14.275 7.401 1.00 2.63 C ATOM 907 NH1 ARG A 649 -15.023 13.567 7.129 1.00 2.98 N ATOM 908 NH2 ARG A 649 -13.780 14.809 8.605 1.00 3.19 N ATOM 0 H ARG A 649 -9.586 11.513 2.418 1.00 0.57 H new ATOM 0 HA ARG A 649 -12.101 12.186 3.475 1.00 0.66 H new ATOM 0 HB2 ARG A 649 -10.384 13.901 4.577 1.00 0.76 H new ATOM 0 HB3 ARG A 649 -10.471 14.679 3.010 1.00 0.76 H new ATOM 0 HG2 ARG A 649 -12.078 15.696 4.536 1.00 0.97 H new ATOM 0 HG3 ARG A 649 -12.924 14.892 3.229 1.00 0.97 H new ATOM 0 HD2 ARG A 649 -14.129 13.836 4.819 1.00 1.41 H new ATOM 0 HD3 ARG A 649 -12.699 12.872 5.130 1.00 1.41 H new ATOM 0 HE ARG A 649 -12.179 15.007 6.710 1.00 1.88 H new ATOM 0 HH11 ARG A 649 -15.146 13.156 6.204 1.00 2.98 H new ATOM 0 HH12 ARG A 649 -15.737 13.434 7.845 1.00 2.98 H new ATOM 0 HH21 ARG A 649 -12.945 15.355 8.818 1.00 3.19 H new ATOM 0 HH22 ARG A 649 -14.496 14.674 9.318 1.00 3.19 H new ATOM 922 N GLY A 650 -10.429 12.808 0.746 1.00 0.76 N ATOM 923 CA GLY A 650 -10.569 12.982 -0.688 1.00 0.89 C ATOM 924 C GLY A 650 -9.845 14.213 -1.191 1.00 0.90 C ATOM 925 O GLY A 650 -9.453 14.279 -2.357 1.00 1.02 O ATOM 0 H GLY A 650 -9.474 12.651 1.068 1.00 0.76 H new ATOM 0 HA2 GLY A 650 -10.180 12.101 -1.198 1.00 0.89 H new ATOM 0 HA3 GLY A 650 -11.627 13.056 -0.941 1.00 0.89 H new ATOM 929 N ALA A 651 -9.666 15.191 -0.308 1.00 0.85 N ATOM 930 CA ALA A 651 -8.981 16.426 -0.662 1.00 0.93 C ATOM 931 C ALA A 651 -7.475 16.210 -0.730 1.00 0.91 C ATOM 932 O ALA A 651 -6.721 17.121 -1.075 1.00 1.04 O ATOM 933 CB ALA A 651 -9.315 17.523 0.339 1.00 0.99 C ATOM 0 H ALA A 651 -9.987 15.150 0.659 1.00 0.85 H new ATOM 0 HA ALA A 651 -9.325 16.736 -1.648 1.00 0.93 H new ATOM 0 HB1 ALA A 651 -8.795 18.440 0.061 1.00 0.99 H new ATOM 0 HB2 ALA A 651 -10.390 17.701 0.339 1.00 0.99 H new ATOM 0 HB3 ALA A 651 -8.999 17.215 1.336 1.00 0.99 H new ATOM 939 N SER A 652 -7.042 14.997 -0.399 1.00 0.82 N ATOM 940 CA SER A 652 -5.628 14.660 -0.423 1.00 0.89 C ATOM 941 C SER A 652 -5.135 14.509 -1.858 1.00 1.07 C ATOM 942 O SER A 652 -5.615 15.189 -2.766 1.00 1.98 O ATOM 943 CB SER A 652 -5.381 13.368 0.362 1.00 0.80 C ATOM 944 OG SER A 652 -4.983 13.647 1.693 1.00 1.30 O ATOM 0 H SER A 652 -7.653 14.233 -0.111 1.00 0.82 H new ATOM 0 HA SER A 652 -5.071 15.471 0.047 1.00 0.89 H new ATOM 0 HB2 SER A 652 -6.289 12.765 0.370 1.00 0.80 H new ATOM 0 HB3 SER A 652 -4.611 12.779 -0.135 1.00 0.80 H new ATOM 0 HG SER A 652 -4.833 12.806 2.173 1.00 1.30 H new ATOM 950 N LYS A 653 -4.175 13.611 -2.054 1.00 0.61 N ATOM 951 CA LYS A 653 -3.608 13.360 -3.373 1.00 0.69 C ATOM 952 C LYS A 653 -2.560 12.255 -3.305 1.00 0.53 C ATOM 953 O LYS A 653 -2.599 11.297 -4.078 1.00 0.60 O ATOM 954 CB LYS A 653 -2.977 14.635 -3.939 1.00 0.94 C ATOM 955 CG LYS A 653 -3.117 14.765 -5.446 1.00 1.24 C ATOM 956 CD LYS A 653 -1.961 14.097 -6.171 1.00 1.67 C ATOM 957 CE LYS A 653 -2.454 13.159 -7.260 1.00 2.12 C ATOM 958 NZ LYS A 653 -1.327 12.513 -7.987 1.00 2.50 N ATOM 0 H LYS A 653 -3.772 13.042 -1.310 1.00 0.61 H new ATOM 0 HA LYS A 653 -4.416 13.042 -4.032 1.00 0.69 H new ATOM 0 HB2 LYS A 653 -3.438 15.501 -3.464 1.00 0.94 H new ATOM 0 HB3 LYS A 653 -1.919 14.654 -3.678 1.00 0.94 H new ATOM 0 HG2 LYS A 653 -4.057 14.315 -5.765 1.00 1.24 H new ATOM 0 HG3 LYS A 653 -3.159 15.819 -5.719 1.00 1.24 H new ATOM 0 HD2 LYS A 653 -1.317 14.859 -6.610 1.00 1.67 H new ATOM 0 HD3 LYS A 653 -1.355 13.540 -5.456 1.00 1.67 H new ATOM 0 HE2 LYS A 653 -3.089 12.391 -6.818 1.00 2.12 H new ATOM 0 HE3 LYS A 653 -3.071 13.715 -7.966 1.00 2.12 H new ATOM 0 HZ1 LYS A 653 -1.705 11.881 -8.722 1.00 2.50 H new ATOM 0 HZ2 LYS A 653 -0.735 13.244 -8.430 1.00 2.50 H new ATOM 0 HZ3 LYS A 653 -0.753 11.962 -7.318 1.00 2.50 H new ATOM 972 N ASN A 654 -1.622 12.398 -2.371 1.00 0.43 N ATOM 973 CA ASN A 654 -0.558 11.417 -2.196 1.00 0.36 C ATOM 974 C ASN A 654 -1.057 10.201 -1.423 1.00 0.31 C ATOM 975 O ASN A 654 -1.200 10.243 -0.201 1.00 0.36 O ATOM 976 CB ASN A 654 0.631 12.049 -1.471 1.00 0.46 C ATOM 977 CG ASN A 654 1.915 11.270 -1.680 1.00 0.85 C ATOM 978 OD1 ASN A 654 2.155 10.256 -1.024 1.00 1.63 O ATOM 979 ND2 ASN A 654 2.750 11.741 -2.599 1.00 1.50 N ATOM 0 H ASN A 654 -1.579 13.185 -1.724 1.00 0.43 H new ATOM 0 HA ASN A 654 -0.237 11.086 -3.184 1.00 0.36 H new ATOM 0 HB2 ASN A 654 0.767 13.071 -1.825 1.00 0.46 H new ATOM 0 HB3 ASN A 654 0.414 12.107 -0.404 1.00 0.46 H new ATOM 0 HD21 ASN A 654 3.630 11.259 -2.784 1.00 1.50 H new ATOM 0 HD22 ASN A 654 2.512 12.585 -3.120 1.00 1.50 H new ATOM 986 N TRP A 655 -1.320 9.120 -2.148 1.00 0.29 N ATOM 987 CA TRP A 655 -1.806 7.886 -1.541 1.00 0.30 C ATOM 988 C TRP A 655 -0.663 7.092 -0.917 1.00 0.29 C ATOM 989 O TRP A 655 -0.884 6.250 -0.045 1.00 0.32 O ATOM 990 CB TRP A 655 -2.520 7.025 -2.586 1.00 0.33 C ATOM 991 CG TRP A 655 -1.710 6.799 -3.827 1.00 0.34 C ATOM 992 CD1 TRP A 655 -1.787 7.502 -4.994 1.00 0.36 C ATOM 993 CD2 TRP A 655 -0.701 5.800 -4.025 1.00 0.37 C ATOM 994 NE1 TRP A 655 -0.888 7.003 -5.905 1.00 0.39 N ATOM 995 CE2 TRP A 655 -0.210 5.958 -5.335 1.00 0.40 C ATOM 996 CE3 TRP A 655 -0.165 4.787 -3.223 1.00 0.40 C ATOM 997 CZ2 TRP A 655 0.792 5.144 -5.859 1.00 0.46 C ATOM 998 CZ3 TRP A 655 0.829 3.979 -3.745 1.00 0.46 C ATOM 999 CH2 TRP A 655 1.298 4.162 -5.051 1.00 0.49 C ATOM 0 H TRP A 655 -1.204 9.073 -3.160 1.00 0.29 H new ATOM 0 HA TRP A 655 -2.509 8.157 -0.754 1.00 0.30 H new ATOM 0 HB2 TRP A 655 -2.768 6.061 -2.143 1.00 0.33 H new ATOM 0 HB3 TRP A 655 -3.461 7.503 -2.858 1.00 0.33 H new ATOM 0 HD1 TRP A 655 -2.457 8.330 -5.175 1.00 0.36 H new ATOM 0 HE1 TRP A 655 -0.748 7.354 -6.852 1.00 0.39 H new ATOM 0 HE3 TRP A 655 -0.521 4.638 -2.214 1.00 0.40 H new ATOM 0 HZ2 TRP A 655 1.156 5.283 -6.866 1.00 0.46 H new ATOM 0 HZ3 TRP A 655 1.250 3.194 -3.135 1.00 0.46 H new ATOM 0 HH2 TRP A 655 2.075 3.515 -5.429 1.00 0.49 H new ATOM 1010 N LYS A 656 0.558 7.357 -1.373 1.00 0.28 N ATOM 1011 CA LYS A 656 1.732 6.656 -0.863 1.00 0.31 C ATOM 1012 C LYS A 656 1.942 6.942 0.621 1.00 0.25 C ATOM 1013 O LYS A 656 2.618 6.188 1.317 1.00 0.26 O ATOM 1014 CB LYS A 656 2.977 7.067 -1.652 1.00 0.43 C ATOM 1015 CG LYS A 656 2.780 7.043 -3.159 1.00 0.42 C ATOM 1016 CD LYS A 656 4.100 7.187 -3.899 1.00 0.81 C ATOM 1017 CE LYS A 656 3.963 6.794 -5.361 1.00 0.81 C ATOM 1018 NZ LYS A 656 5.214 7.049 -6.126 1.00 1.34 N ATOM 0 H LYS A 656 0.760 8.051 -2.093 1.00 0.28 H new ATOM 0 HA LYS A 656 1.564 5.586 -0.986 1.00 0.31 H new ATOM 0 HB2 LYS A 656 3.273 8.071 -1.349 1.00 0.43 H new ATOM 0 HB3 LYS A 656 3.799 6.400 -1.391 1.00 0.43 H new ATOM 0 HG2 LYS A 656 2.300 6.108 -3.449 1.00 0.42 H new ATOM 0 HG3 LYS A 656 2.108 7.850 -3.452 1.00 0.42 H new ATOM 0 HD2 LYS A 656 4.447 8.218 -3.829 1.00 0.81 H new ATOM 0 HD3 LYS A 656 4.856 6.563 -3.422 1.00 0.81 H new ATOM 0 HE2 LYS A 656 3.705 5.737 -5.430 1.00 0.81 H new ATOM 0 HE3 LYS A 656 3.142 7.352 -5.811 1.00 0.81 H new ATOM 0 HZ1 LYS A 656 5.336 6.311 -6.848 1.00 1.34 H new ATOM 0 HZ2 LYS A 656 5.155 7.979 -6.588 1.00 1.34 H new ATOM 0 HZ3 LYS A 656 6.027 7.036 -5.477 1.00 1.34 H new ATOM 1032 N LEU A 657 1.363 8.035 1.099 1.00 0.24 N ATOM 1033 CA LEU A 657 1.497 8.417 2.502 1.00 0.27 C ATOM 1034 C LEU A 657 0.158 8.340 3.232 1.00 0.26 C ATOM 1035 O LEU A 657 0.117 8.161 4.449 1.00 0.33 O ATOM 1036 CB LEU A 657 2.064 9.834 2.611 1.00 0.36 C ATOM 1037 CG LEU A 657 3.474 10.013 2.047 1.00 0.39 C ATOM 1038 CD1 LEU A 657 3.664 11.429 1.525 1.00 0.52 C ATOM 1039 CD2 LEU A 657 4.516 9.690 3.108 1.00 0.50 C ATOM 0 H LEU A 657 0.797 8.673 0.539 1.00 0.24 H new ATOM 0 HA LEU A 657 2.183 7.713 2.974 1.00 0.27 H new ATOM 0 HB2 LEU A 657 1.392 10.518 2.093 1.00 0.36 H new ATOM 0 HB3 LEU A 657 2.069 10.127 3.661 1.00 0.36 H new ATOM 0 HG LEU A 657 3.603 9.321 1.215 1.00 0.39 H new ATOM 0 HD11 LEU A 657 4.673 11.538 1.128 1.00 0.52 H new ATOM 0 HD12 LEU A 657 2.940 11.626 0.735 1.00 0.52 H new ATOM 0 HD13 LEU A 657 3.516 12.140 2.338 1.00 0.52 H new ATOM 0 HD21 LEU A 657 5.514 9.822 2.690 1.00 0.50 H new ATOM 0 HD22 LEU A 657 4.388 10.358 3.959 1.00 0.50 H new ATOM 0 HD23 LEU A 657 4.394 8.658 3.435 1.00 0.50 H new ATOM 1051 N SER A 658 -0.932 8.490 2.487 1.00 0.24 N ATOM 1052 CA SER A 658 -2.269 8.450 3.071 1.00 0.29 C ATOM 1053 C SER A 658 -2.623 7.053 3.572 1.00 0.25 C ATOM 1054 O SER A 658 -3.387 6.904 4.526 1.00 0.30 O ATOM 1055 CB SER A 658 -3.309 8.912 2.050 1.00 0.34 C ATOM 1056 OG SER A 658 -4.610 8.913 2.611 1.00 1.18 O ATOM 0 H SER A 658 -0.917 8.640 1.478 1.00 0.24 H new ATOM 0 HA SER A 658 -2.273 9.127 3.925 1.00 0.29 H new ATOM 0 HB2 SER A 658 -3.060 9.914 1.700 1.00 0.34 H new ATOM 0 HB3 SER A 658 -3.285 8.256 1.180 1.00 0.34 H new ATOM 0 HG SER A 658 -4.946 7.994 2.660 1.00 1.18 H new ATOM 1062 N ILE A 659 -2.069 6.031 2.928 1.00 0.18 N ATOM 1063 CA ILE A 659 -2.337 4.652 3.319 1.00 0.15 C ATOM 1064 C ILE A 659 -1.093 3.992 3.900 1.00 0.13 C ATOM 1065 O ILE A 659 0.015 4.206 3.417 1.00 0.13 O ATOM 1066 CB ILE A 659 -2.833 3.811 2.128 1.00 0.17 C ATOM 1067 CG1 ILE A 659 -3.877 4.585 1.319 1.00 0.20 C ATOM 1068 CG2 ILE A 659 -3.405 2.489 2.620 1.00 0.18 C ATOM 1069 CD1 ILE A 659 -4.264 3.904 0.024 1.00 0.27 C ATOM 0 H ILE A 659 -1.434 6.131 2.136 1.00 0.18 H new ATOM 0 HA ILE A 659 -3.118 4.691 4.079 1.00 0.15 H new ATOM 0 HB ILE A 659 -1.987 3.600 1.474 1.00 0.17 H new ATOM 0 HG12 ILE A 659 -4.770 4.722 1.929 1.00 0.20 H new ATOM 0 HG13 ILE A 659 -3.488 5.579 1.096 1.00 0.20 H new ATOM 0 HG21 ILE A 659 -3.752 1.904 1.769 1.00 0.18 H new ATOM 0 HG22 ILE A 659 -2.632 1.934 3.151 1.00 0.18 H new ATOM 0 HG23 ILE A 659 -4.241 2.682 3.293 1.00 0.18 H new ATOM 0 HD11 ILE A 659 -5.007 4.508 -0.497 1.00 0.27 H new ATOM 0 HD12 ILE A 659 -3.381 3.792 -0.606 1.00 0.27 H new ATOM 0 HD13 ILE A 659 -4.683 2.921 0.241 1.00 0.27 H new ATOM 1081 N ARG A 660 -1.291 3.182 4.937 1.00 0.17 N ATOM 1082 CA ARG A 660 -0.189 2.480 5.584 1.00 0.17 C ATOM 1083 C ARG A 660 -0.249 0.987 5.278 1.00 0.20 C ATOM 1084 O ARG A 660 -1.270 0.481 4.812 1.00 0.20 O ATOM 1085 CB ARG A 660 -0.224 2.703 7.100 1.00 0.19 C ATOM 1086 CG ARG A 660 -0.807 4.049 7.511 1.00 0.18 C ATOM 1087 CD ARG A 660 -0.457 4.391 8.950 1.00 0.32 C ATOM 1088 NE ARG A 660 -1.540 5.105 9.622 1.00 0.66 N ATOM 1089 CZ ARG A 660 -1.556 6.422 9.800 1.00 1.09 C ATOM 1090 NH1 ARG A 660 -0.550 7.166 9.361 1.00 1.74 N ATOM 1091 NH2 ARG A 660 -2.580 6.996 10.418 1.00 1.43 N ATOM 0 H ARG A 660 -2.206 2.996 5.347 1.00 0.17 H new ATOM 0 HA ARG A 660 0.745 2.882 5.191 1.00 0.17 H new ATOM 0 HB2 ARG A 660 -0.810 1.908 7.561 1.00 0.19 H new ATOM 0 HB3 ARG A 660 0.789 2.621 7.493 1.00 0.19 H new ATOM 0 HG2 ARG A 660 -0.429 4.828 6.849 1.00 0.18 H new ATOM 0 HG3 ARG A 660 -1.890 4.029 7.394 1.00 0.18 H new ATOM 0 HD2 ARG A 660 -0.233 3.475 9.496 1.00 0.32 H new ATOM 0 HD3 ARG A 660 0.446 5.002 8.968 1.00 0.32 H new ATOM 0 HE ARG A 660 -2.328 4.562 9.974 1.00 0.66 H new ATOM 0 HH11 ARG A 660 0.239 6.728 8.885 1.00 1.74 H new ATOM 0 HH12 ARG A 660 -0.565 8.177 9.499 1.00 1.74 H new ATOM 0 HH21 ARG A 660 -3.355 6.427 10.757 1.00 1.43 H new ATOM 0 HH22 ARG A 660 -2.592 8.007 10.554 1.00 1.43 H new ATOM 1105 N CYS A 661 0.849 0.286 5.539 1.00 0.25 N ATOM 1106 CA CYS A 661 0.914 -1.151 5.290 1.00 0.29 C ATOM 1107 C CYS A 661 1.642 -1.866 6.423 1.00 0.33 C ATOM 1108 O CYS A 661 2.873 -1.880 6.471 1.00 0.36 O ATOM 1109 CB CYS A 661 1.621 -1.426 3.962 1.00 0.33 C ATOM 1110 SG CYS A 661 0.910 -2.795 3.021 1.00 1.57 S ATOM 0 H CYS A 661 1.705 0.688 5.922 1.00 0.25 H new ATOM 0 HA CYS A 661 -0.105 -1.533 5.238 1.00 0.29 H new ATOM 0 HB2 CYS A 661 1.589 -0.524 3.351 1.00 0.33 H new ATOM 0 HB3 CYS A 661 2.671 -1.641 4.159 1.00 0.33 H new ATOM 0 HG CYS A 661 1.428 -2.817 1.829 1.00 1.57 H new ATOM 1116 N GLY A 662 0.873 -2.461 7.333 1.00 0.36 N ATOM 1117 CA GLY A 662 1.459 -3.172 8.457 1.00 0.42 C ATOM 1118 C GLY A 662 2.363 -2.289 9.297 1.00 0.38 C ATOM 1119 O GLY A 662 3.092 -2.778 10.160 1.00 0.54 O ATOM 0 H GLY A 662 -0.147 -2.463 7.311 1.00 0.36 H new ATOM 0 HA2 GLY A 662 0.663 -3.572 9.085 1.00 0.42 H new ATOM 0 HA3 GLY A 662 2.031 -4.023 8.086 1.00 0.42 H new ATOM 1123 N GLY A 663 2.315 -0.987 9.037 1.00 0.34 N ATOM 1124 CA GLY A 663 3.139 -0.047 9.773 1.00 0.29 C ATOM 1125 C GLY A 663 3.646 1.079 8.895 1.00 0.23 C ATOM 1126 O GLY A 663 3.351 2.249 9.144 1.00 0.27 O ATOM 0 H GLY A 663 1.717 -0.565 8.326 1.00 0.34 H new ATOM 0 HA2 GLY A 663 2.562 0.370 10.599 1.00 0.29 H new ATOM 0 HA3 GLY A 663 3.987 -0.574 10.210 1.00 0.29 H new ATOM 1130 N TYR A 664 4.404 0.727 7.860 1.00 0.20 N ATOM 1131 CA TYR A 664 4.947 1.717 6.939 1.00 0.17 C ATOM 1132 C TYR A 664 4.040 1.877 5.723 1.00 0.15 C ATOM 1133 O TYR A 664 3.504 0.898 5.204 1.00 0.17 O ATOM 1134 CB TYR A 664 6.352 1.311 6.485 1.00 0.22 C ATOM 1135 CG TYR A 664 7.268 0.905 7.618 1.00 0.31 C ATOM 1136 CD1 TYR A 664 7.794 1.854 8.484 1.00 0.45 C ATOM 1137 CD2 TYR A 664 7.601 -0.428 7.823 1.00 0.48 C ATOM 1138 CE1 TYR A 664 8.630 1.487 9.522 1.00 0.59 C ATOM 1139 CE2 TYR A 664 8.435 -0.803 8.859 1.00 0.61 C ATOM 1140 CZ TYR A 664 8.958 0.159 9.697 1.00 0.62 C ATOM 1141 OH TYR A 664 9.777 -0.212 10.738 1.00 0.78 O ATOM 0 H TYR A 664 4.655 -0.237 7.639 1.00 0.20 H new ATOM 0 HA TYR A 664 5.004 2.671 7.463 1.00 0.17 H new ATOM 0 HB2 TYR A 664 6.271 0.482 5.782 1.00 0.22 H new ATOM 0 HB3 TYR A 664 6.804 2.144 5.946 1.00 0.22 H new ATOM 0 HD1 TYR A 664 7.546 2.896 8.345 1.00 0.45 H new ATOM 0 HD2 TYR A 664 7.202 -1.183 7.162 1.00 0.48 H new ATOM 0 HE1 TYR A 664 9.024 2.236 10.192 1.00 0.59 H new ATOM 0 HE2 TYR A 664 8.676 -1.845 9.012 1.00 0.61 H new ATOM 0 HH TYR A 664 9.909 -1.183 10.721 1.00 0.78 H new ATOM 1151 N THR A 665 3.873 3.116 5.273 1.00 0.14 N ATOM 1152 CA THR A 665 3.033 3.407 4.117 1.00 0.14 C ATOM 1153 C THR A 665 3.682 2.899 2.832 1.00 0.16 C ATOM 1154 O THR A 665 4.745 2.283 2.872 1.00 0.23 O ATOM 1155 CB THR A 665 2.776 4.919 3.989 1.00 0.16 C ATOM 1156 OG1 THR A 665 4.003 5.602 3.707 1.00 0.21 O ATOM 1157 CG2 THR A 665 2.164 5.473 5.268 1.00 0.26 C ATOM 0 H THR A 665 4.310 3.937 5.693 1.00 0.14 H new ATOM 0 HA THR A 665 2.083 2.894 4.268 1.00 0.14 H new ATOM 0 HB THR A 665 2.075 5.079 3.170 1.00 0.16 H new ATOM 0 HG1 THR A 665 3.915 6.098 2.867 1.00 0.21 H new ATOM 0 HG21 THR A 665 1.991 6.543 5.155 1.00 0.26 H new ATOM 0 HG22 THR A 665 1.217 4.971 5.465 1.00 0.26 H new ATOM 0 HG23 THR A 665 2.846 5.302 6.101 1.00 0.26 H new ATOM 1165 N LEU A 666 3.046 3.166 1.692 1.00 0.16 N ATOM 1166 CA LEU A 666 3.584 2.736 0.404 1.00 0.19 C ATOM 1167 C LEU A 666 4.811 3.567 0.053 1.00 0.21 C ATOM 1168 O LEU A 666 5.712 3.100 -0.643 1.00 0.24 O ATOM 1169 CB LEU A 666 2.538 2.857 -0.712 1.00 0.21 C ATOM 1170 CG LEU A 666 1.272 2.005 -0.547 1.00 0.20 C ATOM 1171 CD1 LEU A 666 1.610 0.562 -0.195 1.00 0.20 C ATOM 1172 CD2 LEU A 666 0.370 2.610 0.513 1.00 0.25 C ATOM 0 H LEU A 666 2.164 3.675 1.635 1.00 0.16 H new ATOM 0 HA LEU A 666 3.863 1.686 0.491 1.00 0.19 H new ATOM 0 HB2 LEU A 666 2.240 3.902 -0.791 1.00 0.21 H new ATOM 0 HB3 LEU A 666 3.011 2.588 -1.656 1.00 0.21 H new ATOM 0 HG LEU A 666 0.747 1.998 -1.502 1.00 0.20 H new ATOM 0 HD11 LEU A 666 0.689 -0.011 -0.086 1.00 0.20 H new ATOM 0 HD12 LEU A 666 2.217 0.126 -0.989 1.00 0.20 H new ATOM 0 HD13 LEU A 666 2.166 0.537 0.742 1.00 0.20 H new ATOM 0 HD21 LEU A 666 -0.525 1.998 0.622 1.00 0.25 H new ATOM 0 HD22 LEU A 666 0.901 2.648 1.464 1.00 0.25 H new ATOM 0 HD23 LEU A 666 0.085 3.619 0.216 1.00 0.25 H new ATOM 1184 N LYS A 667 4.838 4.800 0.551 1.00 0.20 N ATOM 1185 CA LYS A 667 5.957 5.698 0.308 1.00 0.23 C ATOM 1186 C LYS A 667 7.227 5.102 0.902 1.00 0.24 C ATOM 1187 O LYS A 667 8.292 5.114 0.284 1.00 0.29 O ATOM 1188 CB LYS A 667 5.680 7.072 0.921 1.00 0.25 C ATOM 1189 CG LYS A 667 6.675 8.140 0.497 1.00 0.42 C ATOM 1190 CD LYS A 667 6.194 8.893 -0.732 1.00 1.05 C ATOM 1191 CE LYS A 667 7.305 9.058 -1.755 1.00 1.68 C ATOM 1192 NZ LYS A 667 6.898 8.569 -3.101 1.00 2.05 N ATOM 0 H LYS A 667 4.095 5.198 1.126 1.00 0.20 H new ATOM 0 HA LYS A 667 6.088 5.822 -0.767 1.00 0.23 H new ATOM 0 HB2 LYS A 667 4.676 7.390 0.640 1.00 0.25 H new ATOM 0 HB3 LYS A 667 5.694 6.985 2.007 1.00 0.25 H new ATOM 0 HG2 LYS A 667 6.829 8.841 1.317 1.00 0.42 H new ATOM 0 HG3 LYS A 667 7.639 7.677 0.287 1.00 0.42 H new ATOM 0 HD2 LYS A 667 5.359 8.358 -1.184 1.00 1.05 H new ATOM 0 HD3 LYS A 667 5.822 9.874 -0.436 1.00 1.05 H new ATOM 0 HE2 LYS A 667 7.585 10.109 -1.820 1.00 1.68 H new ATOM 0 HE3 LYS A 667 8.188 8.513 -1.423 1.00 1.68 H new ATOM 0 HZ1 LYS A 667 7.722 8.572 -3.735 1.00 2.05 H new ATOM 0 HZ2 LYS A 667 6.527 7.601 -3.021 1.00 2.05 H new ATOM 0 HZ3 LYS A 667 6.160 9.192 -3.488 1.00 2.05 H new ATOM 1206 N VAL A 668 7.090 4.556 2.105 1.00 0.25 N ATOM 1207 CA VAL A 668 8.203 3.926 2.795 1.00 0.30 C ATOM 1208 C VAL A 668 8.415 2.516 2.260 1.00 0.30 C ATOM 1209 O VAL A 668 9.545 2.034 2.174 1.00 0.38 O ATOM 1210 CB VAL A 668 7.960 3.865 4.316 1.00 0.34 C ATOM 1211 CG1 VAL A 668 9.140 3.220 5.025 1.00 0.44 C ATOM 1212 CG2 VAL A 668 7.695 5.258 4.871 1.00 0.47 C ATOM 0 H VAL A 668 6.212 4.539 2.623 1.00 0.25 H new ATOM 0 HA VAL A 668 9.092 4.529 2.613 1.00 0.30 H new ATOM 0 HB VAL A 668 7.078 3.250 4.497 1.00 0.34 H new ATOM 0 HG11 VAL A 668 8.947 3.187 6.097 1.00 0.44 H new ATOM 0 HG12 VAL A 668 9.279 2.206 4.651 1.00 0.44 H new ATOM 0 HG13 VAL A 668 10.041 3.804 4.836 1.00 0.44 H new ATOM 0 HG21 VAL A 668 7.526 5.195 5.946 1.00 0.47 H new ATOM 0 HG22 VAL A 668 8.556 5.897 4.676 1.00 0.47 H new ATOM 0 HG23 VAL A 668 6.813 5.680 4.389 1.00 0.47 H new ATOM 1222 N LEU A 669 7.313 1.862 1.895 1.00 0.26 N ATOM 1223 CA LEU A 669 7.368 0.508 1.359 1.00 0.32 C ATOM 1224 C LEU A 669 8.125 0.492 0.039 1.00 0.38 C ATOM 1225 O LEU A 669 8.798 -0.485 -0.291 1.00 0.47 O ATOM 1226 CB LEU A 669 5.954 -0.038 1.152 1.00 0.36 C ATOM 1227 CG LEU A 669 5.580 -1.229 2.035 1.00 0.34 C ATOM 1228 CD1 LEU A 669 5.468 -0.801 3.490 1.00 0.36 C ATOM 1229 CD2 LEU A 669 4.278 -1.854 1.560 1.00 0.38 C ATOM 0 H LEU A 669 6.372 2.250 1.962 1.00 0.26 H new ATOM 0 HA LEU A 669 7.892 -0.125 2.075 1.00 0.32 H new ATOM 0 HB2 LEU A 669 5.241 0.766 1.333 1.00 0.36 H new ATOM 0 HB3 LEU A 669 5.844 -0.332 0.108 1.00 0.36 H new ATOM 0 HG LEU A 669 6.369 -1.977 1.958 1.00 0.34 H new ATOM 0 HD11 LEU A 669 5.201 -1.662 4.103 1.00 0.36 H new ATOM 0 HD12 LEU A 669 6.424 -0.399 3.826 1.00 0.36 H new ATOM 0 HD13 LEU A 669 4.698 -0.035 3.586 1.00 0.36 H new ATOM 0 HD21 LEU A 669 4.026 -2.700 2.199 1.00 0.38 H new ATOM 0 HD22 LEU A 669 3.480 -1.113 1.608 1.00 0.38 H new ATOM 0 HD23 LEU A 669 4.393 -2.197 0.532 1.00 0.38 H new ATOM 1241 N MET A 670 8.031 1.592 -0.704 1.00 0.36 N ATOM 1242 CA MET A 670 8.733 1.703 -1.977 1.00 0.44 C ATOM 1243 C MET A 670 10.169 2.140 -1.733 1.00 0.47 C ATOM 1244 O MET A 670 11.020 2.056 -2.617 1.00 0.55 O ATOM 1245 CB MET A 670 8.026 2.689 -2.912 1.00 0.48 C ATOM 1246 CG MET A 670 8.181 4.146 -2.512 1.00 0.45 C ATOM 1247 SD MET A 670 7.929 5.280 -3.894 1.00 0.71 S ATOM 1248 CE MET A 670 6.581 4.483 -4.768 1.00 0.70 C ATOM 0 H MET A 670 7.480 2.412 -0.448 1.00 0.36 H new ATOM 0 HA MET A 670 8.732 0.726 -2.461 1.00 0.44 H new ATOM 0 HB2 MET A 670 8.415 2.558 -3.922 1.00 0.48 H new ATOM 0 HB3 MET A 670 6.964 2.444 -2.945 1.00 0.48 H new ATOM 0 HG2 MET A 670 7.468 4.379 -1.722 1.00 0.45 H new ATOM 0 HG3 MET A 670 9.177 4.301 -2.098 1.00 0.45 H new ATOM 0 HE1 MET A 670 6.527 4.871 -5.785 1.00 0.70 H new ATOM 0 HE2 MET A 670 6.753 3.407 -4.799 1.00 0.70 H new ATOM 0 HE3 MET A 670 5.643 4.686 -4.252 1.00 0.70 H new ATOM 1258 N GLU A 671 10.428 2.592 -0.510 1.00 0.42 N ATOM 1259 CA GLU A 671 11.759 3.028 -0.116 1.00 0.47 C ATOM 1260 C GLU A 671 12.536 1.861 0.484 1.00 0.51 C ATOM 1261 O GLU A 671 13.767 1.845 0.464 1.00 0.59 O ATOM 1262 CB GLU A 671 11.668 4.172 0.896 1.00 0.45 C ATOM 1263 CG GLU A 671 12.968 4.944 1.061 1.00 0.88 C ATOM 1264 CD GLU A 671 13.673 4.627 2.365 1.00 1.56 C ATOM 1265 OE1 GLU A 671 13.701 3.439 2.750 1.00 2.39 O ATOM 1266 OE2 GLU A 671 14.197 5.565 3.000 1.00 1.90 O ATOM 0 H GLU A 671 9.727 2.665 0.228 1.00 0.42 H new ATOM 0 HA GLU A 671 12.284 3.386 -1.002 1.00 0.47 H new ATOM 0 HB2 GLU A 671 10.883 4.861 0.583 1.00 0.45 H new ATOM 0 HB3 GLU A 671 11.370 3.767 1.863 1.00 0.45 H new ATOM 0 HG2 GLU A 671 13.632 4.713 0.228 1.00 0.88 H new ATOM 0 HG3 GLU A 671 12.760 6.013 1.015 1.00 0.88 H new ATOM 1273 N ASN A 672 11.802 0.886 1.016 1.00 0.47 N ATOM 1274 CA ASN A 672 12.412 -0.287 1.623 1.00 0.53 C ATOM 1275 C ASN A 672 12.672 -1.368 0.575 1.00 0.60 C ATOM 1276 O ASN A 672 13.809 -1.560 0.146 1.00 0.72 O ATOM 1277 CB ASN A 672 11.514 -0.837 2.736 1.00 0.50 C ATOM 1278 CG ASN A 672 11.340 0.140 3.884 1.00 0.82 C ATOM 1279 OD1 ASN A 672 12.208 0.973 4.144 1.00 1.54 O ATOM 1280 ND2 ASN A 672 10.210 0.041 4.577 1.00 0.62 N ATOM 0 H ASN A 672 10.782 0.889 1.037 1.00 0.47 H new ATOM 0 HA ASN A 672 13.368 0.011 2.054 1.00 0.53 H new ATOM 0 HB2 ASN A 672 10.536 -1.082 2.321 1.00 0.50 H new ATOM 0 HB3 ASN A 672 11.940 -1.765 3.116 1.00 0.50 H new ATOM 0 HD21 ASN A 672 10.035 0.671 5.360 1.00 0.62 H new ATOM 0 HD22 ASN A 672 9.518 -0.665 4.326 1.00 0.62 H new ATOM 1287 N LYS A 673 11.606 -2.062 0.164 1.00 0.59 N ATOM 1288 CA LYS A 673 11.708 -3.127 -0.840 1.00 0.69 C ATOM 1289 C LYS A 673 10.394 -3.897 -0.976 1.00 0.68 C ATOM 1290 O LYS A 673 10.191 -4.622 -1.950 1.00 0.95 O ATOM 1291 CB LYS A 673 12.831 -4.106 -0.480 1.00 0.87 C ATOM 1292 CG LYS A 673 12.700 -4.700 0.914 1.00 0.94 C ATOM 1293 CD LYS A 673 13.892 -4.344 1.787 1.00 1.46 C ATOM 1294 CE LYS A 673 13.555 -4.467 3.264 1.00 1.87 C ATOM 1295 NZ LYS A 673 14.650 -3.952 4.130 1.00 2.62 N ATOM 0 H LYS A 673 10.660 -1.905 0.512 1.00 0.59 H new ATOM 0 HA LYS A 673 11.933 -2.649 -1.793 1.00 0.69 H new ATOM 0 HB2 LYS A 673 12.844 -4.915 -1.210 1.00 0.87 H new ATOM 0 HB3 LYS A 673 13.789 -3.591 -0.558 1.00 0.87 H new ATOM 0 HG2 LYS A 673 11.785 -4.336 1.381 1.00 0.94 H new ATOM 0 HG3 LYS A 673 12.612 -5.784 0.842 1.00 0.94 H new ATOM 0 HD2 LYS A 673 14.729 -5.000 1.548 1.00 1.46 H new ATOM 0 HD3 LYS A 673 14.213 -3.325 1.569 1.00 1.46 H new ATOM 0 HE2 LYS A 673 12.638 -3.917 3.474 1.00 1.87 H new ATOM 0 HE3 LYS A 673 13.362 -5.512 3.506 1.00 1.87 H new ATOM 0 HZ1 LYS A 673 14.380 -4.054 5.129 1.00 2.62 H new ATOM 0 HZ2 LYS A 673 15.519 -4.493 3.949 1.00 2.62 H new ATOM 0 HZ3 LYS A 673 14.817 -2.948 3.918 1.00 2.62 H new