USER MOD reduce.3.24.130724 H: found=0, std=0, add=605, rem=0, adj=21 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+ 175:sc= 0 (180deg=0) USER MOD Set 1.2: A 670 MET CE :methyl 173:sc= 0 (180deg=-0.0723) USER MOD Single : A 599 ASN : amide:sc= -1.06 K(o=-1.1,f=0.029) USER MOD Single : A 601 LYS NZ :NH3+ -171:sc= -1.98! (180deg=-2.24!) USER MOD Single : A 602 GLN : amide:sc= -0.259 X(o=-0.26,f=-0.13) USER MOD Single : A 603 SER OG : rot 180:sc= 0 USER MOD Single : A 608 THR OG1 : rot 180:sc= -2.19! USER MOD Single : A 609 CYS SG : rot -147:sc= -8! USER MOD Single : A 613 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 615 THR OG1 : rot 180:sc= 0.00609 USER MOD Single : A 617 TYR OH : rot 180:sc= 0 USER MOD Single : A 618 LYS NZ :NH3+ -109:sc= 0.835 (180deg=-0.509) USER MOD Single : A 622 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 623 GLN : amide:sc= -2.1 K(o=-2.1,f=-0.39) USER MOD Single : A 625 THR OG1 : rot -55:sc= 0.927 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+ -160:sc= 0.479 (180deg=0.336) USER MOD Single : A 629 CYS SG : rot -55:sc= 0.71 USER MOD Single : A 631 GLN : amide:sc= -0.021 K(o=-0.021,f=-0.67) USER MOD Single : A 632 SER OG : rot 180:sc= 0 USER MOD Single : A 636 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 639 THR OG1 : rot 180:sc= 0.0186 USER MOD Single : A 652 SER OG : rot 123:sc= 0.432 USER MOD Single : A 653 LYS NZ :NH3+ 154:sc= -0.0119 (180deg=-0.343) USER MOD Single : A 654 ASN : amide:sc= -0.182 K(o=-0.18,f=-0.82) USER MOD Single : A 658 SER OG : rot 100:sc= -1.25 USER MOD Single : A 661 CYS SG : rot 180:sc= -3.96! USER MOD Single : A 664 TYR OH : rot 180:sc= 0 USER MOD Single : A 665 THR OG1 : rot 124:sc= 0.0695 USER MOD Single : A 667 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 672 ASN : amide:sc= -1.29 X(o=-1.3,f=-1.6) USER MOD Single : A 673 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 61 N ILE A 598 6.836 -6.862 7.887 1.00 0.87 N ATOM 62 CA ILE A 598 5.673 -7.191 7.071 1.00 0.64 C ATOM 63 C ILE A 598 6.064 -8.066 5.886 1.00 0.66 C ATOM 64 O ILE A 598 6.659 -7.591 4.919 1.00 0.79 O ATOM 65 CB ILE A 598 4.969 -5.921 6.548 1.00 0.49 C ATOM 66 CG1 ILE A 598 4.822 -4.886 7.667 1.00 0.69 C ATOM 67 CG2 ILE A 598 3.609 -6.272 5.964 1.00 0.35 C ATOM 68 CD1 ILE A 598 4.146 -5.421 8.913 1.00 0.83 C ATOM 0 HA ILE A 598 4.983 -7.738 7.713 1.00 0.64 H new ATOM 0 HB ILE A 598 5.583 -5.486 5.759 1.00 0.49 H new ATOM 0 HG12 ILE A 598 5.810 -4.511 7.934 1.00 0.69 H new ATOM 0 HG13 ILE A 598 4.250 -4.038 7.291 1.00 0.69 H new ATOM 0 HG21 ILE A 598 3.125 -5.366 5.599 1.00 0.35 H new ATOM 0 HG22 ILE A 598 3.737 -6.972 5.139 1.00 0.35 H new ATOM 0 HG23 ILE A 598 2.989 -6.730 6.735 1.00 0.35 H new ATOM 0 HD11 ILE A 598 4.079 -4.629 9.659 1.00 0.83 H new ATOM 0 HD12 ILE A 598 3.144 -5.769 8.662 1.00 0.83 H new ATOM 0 HD13 ILE A 598 4.728 -6.250 9.315 1.00 0.83 H new ATOM 80 N ASN A 599 5.727 -9.348 5.972 1.00 0.73 N ATOM 81 CA ASN A 599 6.041 -10.296 4.911 1.00 0.83 C ATOM 82 C ASN A 599 5.296 -9.943 3.627 1.00 0.95 C ATOM 83 O ASN A 599 4.068 -9.864 3.610 1.00 1.52 O ATOM 84 CB ASN A 599 5.688 -11.717 5.349 1.00 0.98 C ATOM 85 CG ASN A 599 6.023 -11.971 6.806 1.00 1.45 C ATOM 86 OD1 ASN A 599 7.118 -12.427 7.133 1.00 2.10 O ATOM 87 ND2 ASN A 599 5.077 -11.674 7.691 1.00 2.19 N ATOM 0 H ASN A 599 5.235 -9.755 6.768 1.00 0.73 H new ATOM 0 HA ASN A 599 7.111 -10.241 4.713 1.00 0.83 H new ATOM 0 HB2 ASN A 599 4.624 -11.891 5.188 1.00 0.98 H new ATOM 0 HB3 ASN A 599 6.226 -12.431 4.725 1.00 0.98 H new ATOM 0 HD21 ASN A 599 5.245 -11.822 8.686 1.00 2.19 H new ATOM 0 HD22 ASN A 599 4.183 -11.298 7.375 1.00 2.19 H new ATOM 94 N PHE A 600 6.053 -9.732 2.556 1.00 0.69 N ATOM 95 CA PHE A 600 5.478 -9.386 1.264 1.00 0.82 C ATOM 96 C PHE A 600 5.300 -10.628 0.398 1.00 0.89 C ATOM 97 O PHE A 600 4.763 -10.555 -0.709 1.00 1.04 O ATOM 98 CB PHE A 600 6.378 -8.377 0.550 1.00 0.93 C ATOM 99 CG PHE A 600 5.625 -7.294 -0.169 1.00 1.05 C ATOM 100 CD1 PHE A 600 5.166 -6.179 0.512 1.00 1.38 C ATOM 101 CD2 PHE A 600 5.374 -7.395 -1.528 1.00 1.21 C ATOM 102 CE1 PHE A 600 4.470 -5.184 -0.148 1.00 1.92 C ATOM 103 CE2 PHE A 600 4.679 -6.403 -2.194 1.00 1.63 C ATOM 104 CZ PHE A 600 4.237 -5.286 -1.498 1.00 2.02 C ATOM 0 H PHE A 600 7.071 -9.795 2.559 1.00 0.69 H new ATOM 0 HA PHE A 600 4.497 -8.942 1.431 1.00 0.82 H new ATOM 0 HB2 PHE A 600 7.045 -7.919 1.280 1.00 0.93 H new ATOM 0 HB3 PHE A 600 7.005 -8.907 -0.166 1.00 0.93 H new ATOM 0 HD1 PHE A 600 5.354 -6.086 1.571 1.00 1.38 H new ATOM 0 HD2 PHE A 600 5.725 -8.259 -2.073 1.00 1.21 H new ATOM 0 HE1 PHE A 600 4.109 -4.325 0.398 1.00 1.92 H new ATOM 0 HE2 PHE A 600 4.481 -6.496 -3.252 1.00 1.63 H new ATOM 0 HZ PHE A 600 3.711 -4.499 -2.017 1.00 2.02 H new ATOM 114 N LYS A 601 5.756 -11.768 0.909 1.00 0.87 N ATOM 115 CA LYS A 601 5.652 -13.028 0.184 1.00 1.02 C ATOM 116 C LYS A 601 4.273 -13.652 0.364 1.00 0.99 C ATOM 117 O LYS A 601 3.984 -14.713 -0.189 1.00 1.13 O ATOM 118 CB LYS A 601 6.728 -14.000 0.657 1.00 1.16 C ATOM 119 CG LYS A 601 7.946 -14.027 -0.245 1.00 1.16 C ATOM 120 CD LYS A 601 7.630 -14.666 -1.591 1.00 1.78 C ATOM 121 CE LYS A 601 7.840 -13.695 -2.745 1.00 2.40 C ATOM 122 NZ LYS A 601 8.063 -12.297 -2.278 1.00 3.20 N ATOM 0 H LYS A 601 6.201 -11.844 1.823 1.00 0.87 H new ATOM 0 HA LYS A 601 5.798 -12.819 -0.876 1.00 1.02 H new ATOM 0 HB2 LYS A 601 7.037 -13.727 1.666 1.00 1.16 H new ATOM 0 HB3 LYS A 601 6.304 -15.002 0.714 1.00 1.16 H new ATOM 0 HG2 LYS A 601 8.308 -13.011 -0.400 1.00 1.16 H new ATOM 0 HG3 LYS A 601 8.749 -14.581 0.242 1.00 1.16 H new ATOM 0 HD2 LYS A 601 8.263 -15.542 -1.734 1.00 1.78 H new ATOM 0 HD3 LYS A 601 6.597 -15.015 -1.594 1.00 1.78 H new ATOM 0 HE2 LYS A 601 8.696 -14.018 -3.337 1.00 2.40 H new ATOM 0 HE3 LYS A 601 6.970 -13.722 -3.401 1.00 2.40 H new ATOM 0 HZ1 LYS A 601 8.049 -11.652 -3.094 1.00 3.20 H new ATOM 0 HZ2 LYS A 601 7.311 -12.029 -1.612 1.00 3.20 H new ATOM 0 HZ3 LYS A 601 8.986 -12.233 -1.802 1.00 3.20 H new ATOM 136 N GLN A 602 3.425 -12.986 1.140 1.00 0.85 N ATOM 137 CA GLN A 602 2.076 -13.475 1.395 1.00 0.89 C ATOM 138 C GLN A 602 1.153 -13.157 0.223 1.00 0.98 C ATOM 139 O GLN A 602 1.592 -12.636 -0.802 1.00 1.98 O ATOM 140 CB GLN A 602 1.523 -12.859 2.680 1.00 0.87 C ATOM 141 CG GLN A 602 2.380 -13.137 3.904 1.00 0.78 C ATOM 142 CD GLN A 602 2.585 -14.621 4.145 1.00 0.99 C ATOM 143 OE1 GLN A 602 1.815 -15.257 4.865 1.00 1.25 O ATOM 144 NE2 GLN A 602 3.630 -15.179 3.543 1.00 1.15 N ATOM 0 H GLN A 602 3.649 -12.105 1.603 1.00 0.85 H new ATOM 0 HA GLN A 602 2.123 -14.558 1.512 1.00 0.89 H new ATOM 0 HB2 GLN A 602 1.433 -11.781 2.547 1.00 0.87 H new ATOM 0 HB3 GLN A 602 0.518 -13.244 2.855 1.00 0.87 H new ATOM 0 HG2 GLN A 602 3.350 -12.655 3.782 1.00 0.78 H new ATOM 0 HG3 GLN A 602 1.911 -12.691 4.781 1.00 0.78 H new ATOM 0 HE21 GLN A 602 4.242 -14.613 2.955 1.00 1.15 H new ATOM 0 HE22 GLN A 602 3.820 -16.173 3.669 1.00 1.15 H new ATOM 153 N SER A 603 -0.129 -13.472 0.385 1.00 0.46 N ATOM 154 CA SER A 603 -1.116 -13.219 -0.657 1.00 0.46 C ATOM 155 C SER A 603 -2.057 -12.093 -0.245 1.00 0.42 C ATOM 156 O SER A 603 -2.834 -11.591 -1.058 1.00 0.55 O ATOM 157 CB SER A 603 -1.919 -14.489 -0.948 1.00 0.52 C ATOM 158 OG SER A 603 -1.538 -15.544 -0.083 1.00 1.06 O ATOM 0 H SER A 603 -0.507 -13.903 1.228 1.00 0.46 H new ATOM 0 HA SER A 603 -0.587 -12.918 -1.561 1.00 0.46 H new ATOM 0 HB2 SER A 603 -2.983 -14.285 -0.830 1.00 0.52 H new ATOM 0 HB3 SER A 603 -1.765 -14.791 -1.984 1.00 0.52 H new ATOM 0 HG SER A 603 -2.067 -16.343 -0.289 1.00 1.06 H new ATOM 164 N GLU A 604 -1.980 -11.701 1.023 1.00 0.31 N ATOM 165 CA GLU A 604 -2.823 -10.634 1.548 1.00 0.30 C ATOM 166 C GLU A 604 -2.037 -9.746 2.506 1.00 0.27 C ATOM 167 O GLU A 604 -1.661 -10.173 3.598 1.00 0.38 O ATOM 168 CB GLU A 604 -4.044 -11.222 2.257 1.00 0.35 C ATOM 169 CG GLU A 604 -5.041 -11.870 1.312 1.00 0.51 C ATOM 170 CD GLU A 604 -6.393 -12.106 1.957 1.00 0.82 C ATOM 171 OE1 GLU A 604 -6.435 -12.716 3.045 1.00 1.48 O ATOM 172 OE2 GLU A 604 -7.412 -11.681 1.371 1.00 1.26 O ATOM 0 H GLU A 604 -1.341 -12.107 1.706 1.00 0.31 H new ATOM 0 HA GLU A 604 -3.161 -10.023 0.711 1.00 0.30 H new ATOM 0 HB2 GLU A 604 -3.710 -11.963 2.984 1.00 0.35 H new ATOM 0 HB3 GLU A 604 -4.546 -10.431 2.815 1.00 0.35 H new ATOM 0 HG2 GLU A 604 -5.168 -11.236 0.434 1.00 0.51 H new ATOM 0 HG3 GLU A 604 -4.639 -12.821 0.963 1.00 0.51 H new ATOM 179 N LEU A 605 -1.794 -8.508 2.088 1.00 0.20 N ATOM 180 CA LEU A 605 -1.053 -7.554 2.904 1.00 0.22 C ATOM 181 C LEU A 605 -2.002 -6.610 3.640 1.00 0.19 C ATOM 182 O LEU A 605 -2.841 -5.958 3.022 1.00 0.24 O ATOM 183 CB LEU A 605 -0.092 -6.744 2.025 1.00 0.27 C ATOM 184 CG LEU A 605 1.259 -6.407 2.663 1.00 0.38 C ATOM 185 CD1 LEU A 605 1.087 -5.386 3.778 1.00 1.26 C ATOM 186 CD2 LEU A 605 1.934 -7.666 3.190 1.00 1.04 C ATOM 0 H LEU A 605 -2.100 -8.142 1.187 1.00 0.20 H new ATOM 0 HA LEU A 605 -0.481 -8.113 3.644 1.00 0.22 H new ATOM 0 HB2 LEU A 605 0.089 -7.301 1.106 1.00 0.27 H new ATOM 0 HB3 LEU A 605 -0.583 -5.813 1.742 1.00 0.27 H new ATOM 0 HG LEU A 605 1.899 -5.971 1.895 1.00 0.38 H new ATOM 0 HD11 LEU A 605 2.058 -5.160 4.218 1.00 1.26 H new ATOM 0 HD12 LEU A 605 0.652 -4.473 3.371 1.00 1.26 H new ATOM 0 HD13 LEU A 605 0.427 -5.792 4.545 1.00 1.26 H new ATOM 0 HD21 LEU A 605 2.892 -7.404 3.639 1.00 1.04 H new ATOM 0 HD22 LEU A 605 1.297 -8.133 3.941 1.00 1.04 H new ATOM 0 HD23 LEU A 605 2.097 -8.363 2.368 1.00 1.04 H new ATOM 198 N PRO A 606 -1.885 -6.523 4.977 1.00 0.21 N ATOM 199 CA PRO A 606 -2.741 -5.649 5.783 1.00 0.21 C ATOM 200 C PRO A 606 -2.452 -4.172 5.533 1.00 0.20 C ATOM 201 O PRO A 606 -1.322 -3.715 5.703 1.00 0.34 O ATOM 202 CB PRO A 606 -2.386 -6.028 7.223 1.00 0.28 C ATOM 203 CG PRO A 606 -1.006 -6.582 7.142 1.00 0.44 C ATOM 204 CD PRO A 606 -0.912 -7.262 5.805 1.00 0.33 C ATOM 0 HA PRO A 606 -3.797 -5.779 5.545 1.00 0.21 H new ATOM 0 HB2 PRO A 606 -2.426 -5.160 7.882 1.00 0.28 H new ATOM 0 HB3 PRO A 606 -3.085 -6.763 7.622 1.00 0.28 H new ATOM 0 HG2 PRO A 606 -0.262 -5.791 7.231 1.00 0.44 H new ATOM 0 HG3 PRO A 606 -0.820 -7.287 7.952 1.00 0.44 H new ATOM 0 HD2 PRO A 606 0.095 -7.201 5.393 1.00 0.33 H new ATOM 0 HD3 PRO A 606 -1.164 -8.320 5.874 1.00 0.33 H new ATOM 212 N VAL A 607 -3.480 -3.428 5.134 1.00 0.14 N ATOM 213 CA VAL A 607 -3.334 -2.002 4.868 1.00 0.13 C ATOM 214 C VAL A 607 -4.139 -1.180 5.863 1.00 0.10 C ATOM 215 O VAL A 607 -5.135 -1.653 6.411 1.00 0.11 O ATOM 216 CB VAL A 607 -3.783 -1.631 3.440 1.00 0.18 C ATOM 217 CG1 VAL A 607 -2.581 -1.497 2.519 1.00 0.37 C ATOM 218 CG2 VAL A 607 -4.765 -2.656 2.896 1.00 0.31 C ATOM 0 H VAL A 607 -4.422 -3.790 4.988 1.00 0.14 H new ATOM 0 HA VAL A 607 -2.273 -1.775 4.971 1.00 0.13 H new ATOM 0 HB VAL A 607 -4.291 -0.668 3.484 1.00 0.18 H new ATOM 0 HG11 VAL A 607 -2.918 -1.235 1.516 1.00 0.37 H new ATOM 0 HG12 VAL A 607 -1.920 -0.716 2.895 1.00 0.37 H new ATOM 0 HG13 VAL A 607 -2.042 -2.444 2.485 1.00 0.37 H new ATOM 0 HG21 VAL A 607 -5.066 -2.372 1.888 1.00 0.31 H new ATOM 0 HG22 VAL A 607 -4.290 -3.637 2.870 1.00 0.31 H new ATOM 0 HG23 VAL A 607 -5.644 -2.696 3.540 1.00 0.31 H new ATOM 228 N THR A 608 -3.703 0.052 6.092 1.00 0.11 N ATOM 229 CA THR A 608 -4.388 0.939 7.023 1.00 0.12 C ATOM 230 C THR A 608 -4.377 2.377 6.528 1.00 0.11 C ATOM 231 O THR A 608 -3.373 3.077 6.650 1.00 0.16 O ATOM 232 CB THR A 608 -3.748 0.905 8.419 1.00 0.16 C ATOM 233 OG1 THR A 608 -2.325 1.026 8.310 1.00 0.30 O ATOM 234 CG2 THR A 608 -4.098 -0.380 9.151 1.00 0.34 C ATOM 0 H THR A 608 -2.880 0.459 5.647 1.00 0.11 H new ATOM 0 HA THR A 608 -5.414 0.578 7.087 1.00 0.12 H new ATOM 0 HB THR A 608 -4.142 1.745 8.991 1.00 0.16 H new ATOM 0 HG1 THR A 608 -1.925 1.005 9.205 1.00 0.30 H new ATOM 0 HG21 THR A 608 -3.631 -0.376 10.136 1.00 0.34 H new ATOM 0 HG22 THR A 608 -5.180 -0.452 9.262 1.00 0.34 H new ATOM 0 HG23 THR A 608 -3.734 -1.234 8.580 1.00 0.34 H new ATOM 242 N CYS A 609 -5.499 2.816 5.979 1.00 0.15 N ATOM 243 CA CYS A 609 -5.616 4.177 5.477 1.00 0.17 C ATOM 244 C CYS A 609 -6.509 5.013 6.383 1.00 0.17 C ATOM 245 O CYS A 609 -7.730 4.871 6.368 1.00 0.18 O ATOM 246 CB CYS A 609 -6.175 4.161 4.059 1.00 0.20 C ATOM 247 SG CYS A 609 -6.551 5.800 3.394 1.00 0.67 S ATOM 0 H CYS A 609 -6.341 2.251 5.870 1.00 0.15 H new ATOM 0 HA CYS A 609 -4.624 4.628 5.466 1.00 0.17 H new ATOM 0 HB2 CYS A 609 -5.456 3.671 3.402 1.00 0.20 H new ATOM 0 HB3 CYS A 609 -7.083 3.558 4.045 1.00 0.20 H new ATOM 0 HG CYS A 609 -7.582 5.723 2.606 1.00 0.67 H new ATOM 253 N GLY A 610 -5.894 5.885 7.169 1.00 0.21 N ATOM 254 CA GLY A 610 -6.648 6.731 8.074 1.00 0.23 C ATOM 255 C GLY A 610 -7.473 5.924 9.058 1.00 0.22 C ATOM 256 O GLY A 610 -8.685 6.116 9.161 1.00 0.23 O ATOM 0 H GLY A 610 -4.884 6.023 7.197 1.00 0.21 H new ATOM 0 HA2 GLY A 610 -5.962 7.377 8.622 1.00 0.23 H new ATOM 0 HA3 GLY A 610 -7.306 7.381 7.498 1.00 0.23 H new ATOM 260 N GLU A 611 -6.811 5.013 9.773 1.00 0.25 N ATOM 261 CA GLU A 611 -7.480 4.158 10.755 1.00 0.31 C ATOM 262 C GLU A 611 -8.403 3.155 10.068 1.00 0.28 C ATOM 263 O GLU A 611 -9.032 2.325 10.725 1.00 0.35 O ATOM 264 CB GLU A 611 -8.273 5.002 11.756 1.00 0.37 C ATOM 265 CG GLU A 611 -7.457 6.111 12.398 1.00 1.46 C ATOM 266 CD GLU A 611 -6.894 5.717 13.749 1.00 2.00 C ATOM 267 OE1 GLU A 611 -6.473 4.550 13.900 1.00 2.48 O ATOM 268 OE2 GLU A 611 -6.874 6.574 14.657 1.00 2.54 O ATOM 0 H GLU A 611 -5.808 4.848 9.690 1.00 0.25 H new ATOM 0 HA GLU A 611 -6.711 3.605 11.295 1.00 0.31 H new ATOM 0 HB2 GLU A 611 -9.131 5.442 11.248 1.00 0.37 H new ATOM 0 HB3 GLU A 611 -8.664 4.351 12.538 1.00 0.37 H new ATOM 0 HG2 GLU A 611 -6.638 6.385 11.733 1.00 1.46 H new ATOM 0 HG3 GLU A 611 -8.083 6.996 12.514 1.00 1.46 H new ATOM 275 N VAL A 612 -8.479 3.242 8.744 1.00 0.20 N ATOM 276 CA VAL A 612 -9.325 2.349 7.961 1.00 0.22 C ATOM 277 C VAL A 612 -8.531 1.147 7.454 1.00 0.21 C ATOM 278 O VAL A 612 -7.815 1.241 6.458 1.00 0.30 O ATOM 279 CB VAL A 612 -9.946 3.088 6.760 1.00 0.22 C ATOM 280 CG1 VAL A 612 -10.766 2.136 5.901 1.00 0.27 C ATOM 281 CG2 VAL A 612 -10.798 4.255 7.236 1.00 0.25 C ATOM 0 H VAL A 612 -7.963 3.925 8.189 1.00 0.20 H new ATOM 0 HA VAL A 612 -10.122 2.000 8.618 1.00 0.22 H new ATOM 0 HB VAL A 612 -9.136 3.481 6.146 1.00 0.22 H new ATOM 0 HG11 VAL A 612 -11.194 2.682 5.060 1.00 0.27 H new ATOM 0 HG12 VAL A 612 -10.124 1.338 5.527 1.00 0.27 H new ATOM 0 HG13 VAL A 612 -11.568 1.705 6.500 1.00 0.27 H new ATOM 0 HG21 VAL A 612 -11.229 4.766 6.375 1.00 0.25 H new ATOM 0 HG22 VAL A 612 -11.599 3.884 7.876 1.00 0.25 H new ATOM 0 HG23 VAL A 612 -10.178 4.953 7.799 1.00 0.25 H new ATOM 291 N LYS A 613 -8.660 0.020 8.148 1.00 0.15 N ATOM 292 CA LYS A 613 -7.949 -1.195 7.767 1.00 0.14 C ATOM 293 C LYS A 613 -8.617 -1.880 6.578 1.00 0.15 C ATOM 294 O LYS A 613 -9.814 -1.717 6.342 1.00 0.25 O ATOM 295 CB LYS A 613 -7.875 -2.159 8.951 1.00 0.16 C ATOM 296 CG LYS A 613 -6.499 -2.775 9.146 1.00 0.35 C ATOM 297 CD LYS A 613 -6.560 -3.999 10.041 1.00 0.69 C ATOM 298 CE LYS A 613 -5.512 -3.936 11.141 1.00 1.45 C ATOM 299 NZ LYS A 613 -4.667 -5.162 11.175 1.00 1.76 N ATOM 0 H LYS A 613 -9.249 -0.077 8.975 1.00 0.15 H new ATOM 0 HA LYS A 613 -6.939 -0.911 7.471 1.00 0.14 H new ATOM 0 HB2 LYS A 613 -8.159 -1.628 9.860 1.00 0.16 H new ATOM 0 HB3 LYS A 613 -8.604 -2.956 8.806 1.00 0.16 H new ATOM 0 HG2 LYS A 613 -6.082 -3.051 8.177 1.00 0.35 H new ATOM 0 HG3 LYS A 613 -5.827 -2.036 9.583 1.00 0.35 H new ATOM 0 HD2 LYS A 613 -7.552 -4.077 10.486 1.00 0.69 H new ATOM 0 HD3 LYS A 613 -6.408 -4.897 9.442 1.00 0.69 H new ATOM 0 HE2 LYS A 613 -4.878 -3.062 10.989 1.00 1.45 H new ATOM 0 HE3 LYS A 613 -6.005 -3.808 12.105 1.00 1.45 H new ATOM 0 HZ1 LYS A 613 -3.966 -5.079 11.938 1.00 1.76 H new ATOM 0 HZ2 LYS A 613 -5.268 -5.993 11.346 1.00 1.76 H new ATOM 0 HZ3 LYS A 613 -4.176 -5.271 10.264 1.00 1.76 H new ATOM 313 N GLY A 614 -7.828 -2.651 5.837 1.00 0.13 N ATOM 314 CA GLY A 614 -8.335 -3.361 4.682 1.00 0.14 C ATOM 315 C GLY A 614 -7.409 -4.485 4.261 1.00 0.15 C ATOM 316 O GLY A 614 -6.280 -4.578 4.740 1.00 0.24 O ATOM 0 H GLY A 614 -6.835 -2.796 6.021 1.00 0.13 H new ATOM 0 HA2 GLY A 614 -9.320 -3.768 4.909 1.00 0.14 H new ATOM 0 HA3 GLY A 614 -8.461 -2.664 3.853 1.00 0.14 H new ATOM 320 N THR A 615 -7.887 -5.339 3.367 1.00 0.15 N ATOM 321 CA THR A 615 -7.091 -6.463 2.883 1.00 0.16 C ATOM 322 C THR A 615 -6.560 -6.194 1.479 1.00 0.14 C ATOM 323 O THR A 615 -7.330 -5.970 0.546 1.00 0.17 O ATOM 324 CB THR A 615 -7.905 -7.769 2.873 1.00 0.20 C ATOM 325 OG1 THR A 615 -9.256 -7.510 3.269 1.00 0.44 O ATOM 326 CG2 THR A 615 -7.287 -8.797 3.810 1.00 0.42 C ATOM 0 H THR A 615 -8.821 -5.277 2.961 1.00 0.15 H new ATOM 0 HA THR A 615 -6.253 -6.576 3.571 1.00 0.16 H new ATOM 0 HB THR A 615 -7.895 -8.169 1.859 1.00 0.20 H new ATOM 0 HG1 THR A 615 -9.766 -8.347 3.258 1.00 0.44 H new ATOM 0 HG21 THR A 615 -7.879 -9.712 3.787 1.00 0.42 H new ATOM 0 HG22 THR A 615 -6.268 -9.015 3.490 1.00 0.42 H new ATOM 0 HG23 THR A 615 -7.271 -8.401 4.825 1.00 0.42 H new ATOM 334 N LEU A 616 -5.238 -6.213 1.340 1.00 0.14 N ATOM 335 CA LEU A 616 -4.595 -5.964 0.054 1.00 0.16 C ATOM 336 C LEU A 616 -4.272 -7.271 -0.667 1.00 0.15 C ATOM 337 O LEU A 616 -3.657 -8.171 -0.096 1.00 0.18 O ATOM 338 CB LEU A 616 -3.319 -5.146 0.258 1.00 0.21 C ATOM 339 CG LEU A 616 -2.517 -4.854 -1.009 1.00 0.22 C ATOM 340 CD1 LEU A 616 -1.957 -3.441 -0.967 1.00 0.38 C ATOM 341 CD2 LEU A 616 -1.395 -5.869 -1.169 1.00 0.40 C ATOM 0 H LEU A 616 -4.589 -6.399 2.105 1.00 0.14 H new ATOM 0 HA LEU A 616 -5.289 -5.400 -0.569 1.00 0.16 H new ATOM 0 HB2 LEU A 616 -3.586 -4.198 0.725 1.00 0.21 H new ATOM 0 HB3 LEU A 616 -2.676 -5.677 0.960 1.00 0.21 H new ATOM 0 HG LEU A 616 -3.181 -4.935 -1.869 1.00 0.22 H new ATOM 0 HD11 LEU A 616 -1.388 -3.248 -1.876 1.00 0.38 H new ATOM 0 HD12 LEU A 616 -2.777 -2.727 -0.893 1.00 0.38 H new ATOM 0 HD13 LEU A 616 -1.304 -3.334 -0.101 1.00 0.38 H new ATOM 0 HD21 LEU A 616 -0.832 -5.649 -2.076 1.00 0.40 H new ATOM 0 HD22 LEU A 616 -0.730 -5.815 -0.307 1.00 0.40 H new ATOM 0 HD23 LEU A 616 -1.818 -6.871 -1.239 1.00 0.40 H new ATOM 353 N TYR A 617 -4.688 -7.365 -1.927 1.00 0.14 N ATOM 354 CA TYR A 617 -4.442 -8.558 -2.732 1.00 0.16 C ATOM 355 C TYR A 617 -3.162 -8.407 -3.550 1.00 0.21 C ATOM 356 O TYR A 617 -3.001 -7.439 -4.293 1.00 0.22 O ATOM 357 CB TYR A 617 -5.628 -8.823 -3.662 1.00 0.16 C ATOM 358 CG TYR A 617 -6.752 -9.593 -3.006 1.00 0.20 C ATOM 359 CD1 TYR A 617 -7.623 -8.969 -2.122 1.00 0.29 C ATOM 360 CD2 TYR A 617 -6.942 -10.943 -3.272 1.00 0.31 C ATOM 361 CE1 TYR A 617 -8.653 -9.669 -1.521 1.00 0.34 C ATOM 362 CE2 TYR A 617 -7.969 -11.649 -2.675 1.00 0.37 C ATOM 363 CZ TYR A 617 -8.820 -11.008 -1.801 1.00 0.34 C ATOM 364 OH TYR A 617 -9.844 -11.709 -1.205 1.00 0.43 O ATOM 0 H TYR A 617 -5.198 -6.628 -2.413 1.00 0.14 H new ATOM 0 HA TYR A 617 -4.322 -9.405 -2.057 1.00 0.16 H new ATOM 0 HB2 TYR A 617 -6.015 -7.870 -4.024 1.00 0.16 H new ATOM 0 HB3 TYR A 617 -5.279 -9.378 -4.533 1.00 0.16 H new ATOM 0 HD1 TYR A 617 -7.494 -7.920 -1.900 1.00 0.29 H new ATOM 0 HD2 TYR A 617 -6.277 -11.449 -3.956 1.00 0.31 H new ATOM 0 HE1 TYR A 617 -9.322 -9.169 -0.836 1.00 0.34 H new ATOM 0 HE2 TYR A 617 -8.104 -12.698 -2.892 1.00 0.37 H new ATOM 0 HH TYR A 617 -9.824 -12.640 -1.510 1.00 0.43 H new ATOM 374 N LYS A 618 -2.253 -9.366 -3.404 1.00 0.27 N ATOM 375 CA LYS A 618 -0.985 -9.339 -4.127 1.00 0.34 C ATOM 376 C LYS A 618 -1.194 -9.562 -5.621 1.00 0.33 C ATOM 377 O LYS A 618 -0.473 -9.002 -6.446 1.00 0.37 O ATOM 378 CB LYS A 618 -0.039 -10.405 -3.573 1.00 0.44 C ATOM 379 CG LYS A 618 1.080 -9.841 -2.711 1.00 0.80 C ATOM 380 CD LYS A 618 0.635 -9.671 -1.268 1.00 1.13 C ATOM 381 CE LYS A 618 1.663 -8.901 -0.457 1.00 1.56 C ATOM 382 NZ LYS A 618 1.902 -7.539 -1.009 1.00 2.48 N ATOM 0 H LYS A 618 -2.371 -10.173 -2.791 1.00 0.27 H new ATOM 0 HA LYS A 618 -0.542 -8.353 -3.987 1.00 0.34 H new ATOM 0 HB2 LYS A 618 -0.615 -11.119 -2.984 1.00 0.44 H new ATOM 0 HB3 LYS A 618 0.398 -10.958 -4.405 1.00 0.44 H new ATOM 0 HG2 LYS A 618 1.943 -10.506 -2.751 1.00 0.80 H new ATOM 0 HG3 LYS A 618 1.400 -8.879 -3.111 1.00 0.80 H new ATOM 0 HD2 LYS A 618 -0.320 -9.146 -1.240 1.00 1.13 H new ATOM 0 HD3 LYS A 618 0.474 -10.650 -0.818 1.00 1.13 H new ATOM 0 HE2 LYS A 618 1.323 -8.819 0.575 1.00 1.56 H new ATOM 0 HE3 LYS A 618 2.601 -9.455 -0.441 1.00 1.56 H new ATOM 0 HZ1 LYS A 618 2.846 -7.501 -1.444 1.00 2.48 H new ATOM 0 HZ2 LYS A 618 1.181 -7.324 -1.727 1.00 2.48 H new ATOM 0 HZ3 LYS A 618 1.846 -6.839 -0.242 1.00 2.48 H new ATOM 396 N GLU A 619 -2.177 -10.389 -5.960 1.00 0.31 N ATOM 397 CA GLU A 619 -2.477 -10.694 -7.356 1.00 0.34 C ATOM 398 C GLU A 619 -2.752 -9.425 -8.158 1.00 0.30 C ATOM 399 O GLU A 619 -2.670 -9.428 -9.387 1.00 0.34 O ATOM 400 CB GLU A 619 -3.681 -11.634 -7.446 1.00 0.35 C ATOM 401 CG GLU A 619 -4.968 -11.029 -6.909 1.00 1.04 C ATOM 402 CD GLU A 619 -6.204 -11.766 -7.385 1.00 1.45 C ATOM 403 OE1 GLU A 619 -6.085 -12.960 -7.731 1.00 2.07 O ATOM 404 OE2 GLU A 619 -7.292 -11.152 -7.411 1.00 1.68 O ATOM 0 H GLU A 619 -2.781 -10.861 -5.287 1.00 0.31 H new ATOM 0 HA GLU A 619 -1.602 -11.184 -7.783 1.00 0.34 H new ATOM 0 HB2 GLU A 619 -3.831 -11.920 -8.487 1.00 0.35 H new ATOM 0 HB3 GLU A 619 -3.460 -12.547 -6.893 1.00 0.35 H new ATOM 0 HG2 GLU A 619 -4.942 -11.038 -5.819 1.00 1.04 H new ATOM 0 HG3 GLU A 619 -5.031 -9.986 -7.218 1.00 1.04 H new ATOM 411 N ARG A 620 -3.083 -8.344 -7.459 1.00 0.25 N ATOM 412 CA ARG A 620 -3.374 -7.073 -8.114 1.00 0.25 C ATOM 413 C ARG A 620 -2.372 -5.995 -7.703 1.00 0.27 C ATOM 414 O ARG A 620 -2.127 -5.048 -8.449 1.00 0.29 O ATOM 415 CB ARG A 620 -4.797 -6.621 -7.781 1.00 0.25 C ATOM 416 CG ARG A 620 -5.836 -7.102 -8.781 1.00 0.38 C ATOM 417 CD ARG A 620 -7.239 -7.044 -8.200 1.00 0.55 C ATOM 418 NE ARG A 620 -8.169 -7.907 -8.924 1.00 0.88 N ATOM 419 CZ ARG A 620 -9.077 -7.456 -9.785 1.00 0.95 C ATOM 420 NH1 ARG A 620 -9.177 -6.155 -10.029 1.00 1.77 N ATOM 421 NH2 ARG A 620 -9.884 -8.306 -10.404 1.00 1.17 N ATOM 0 H ARG A 620 -3.156 -8.322 -6.442 1.00 0.25 H new ATOM 0 HA ARG A 620 -3.288 -7.222 -9.190 1.00 0.25 H new ATOM 0 HB2 ARG A 620 -5.063 -6.986 -6.789 1.00 0.25 H new ATOM 0 HB3 ARG A 620 -4.823 -5.532 -7.737 1.00 0.25 H new ATOM 0 HG2 ARG A 620 -5.788 -6.488 -9.680 1.00 0.38 H new ATOM 0 HG3 ARG A 620 -5.607 -8.125 -9.081 1.00 0.38 H new ATOM 0 HD2 ARG A 620 -7.210 -7.342 -7.152 1.00 0.55 H new ATOM 0 HD3 ARG A 620 -7.601 -6.016 -8.229 1.00 0.55 H new ATOM 0 HE ARG A 620 -8.119 -8.912 -8.760 1.00 0.88 H new ATOM 0 HH11 ARG A 620 -8.557 -5.498 -9.556 1.00 1.77 H new ATOM 0 HH12 ARG A 620 -9.874 -5.812 -10.690 1.00 1.77 H new ATOM 0 HH21 ARG A 620 -9.809 -9.306 -10.220 1.00 1.17 H new ATOM 0 HH22 ARG A 620 -10.580 -7.960 -11.064 1.00 1.17 H new ATOM 435 N PHE A 621 -1.801 -6.145 -6.511 1.00 0.31 N ATOM 436 CA PHE A 621 -0.830 -5.181 -6.001 1.00 0.38 C ATOM 437 C PHE A 621 0.480 -5.242 -6.777 1.00 0.33 C ATOM 438 O PHE A 621 1.312 -4.342 -6.670 1.00 0.34 O ATOM 439 CB PHE A 621 -0.562 -5.404 -4.512 1.00 0.53 C ATOM 440 CG PHE A 621 0.011 -4.192 -3.826 1.00 0.75 C ATOM 441 CD1 PHE A 621 -0.532 -2.935 -4.043 1.00 0.87 C ATOM 442 CD2 PHE A 621 1.090 -4.312 -2.963 1.00 0.96 C ATOM 443 CE1 PHE A 621 -0.009 -1.822 -3.412 1.00 1.13 C ATOM 444 CE2 PHE A 621 1.617 -3.201 -2.330 1.00 1.21 C ATOM 445 CZ PHE A 621 1.071 -1.955 -2.561 1.00 1.27 C ATOM 0 H PHE A 621 -1.993 -6.924 -5.881 1.00 0.31 H new ATOM 0 HA PHE A 621 -1.263 -4.190 -6.136 1.00 0.38 H new ATOM 0 HB2 PHE A 621 -1.493 -5.686 -4.020 1.00 0.53 H new ATOM 0 HB3 PHE A 621 0.127 -6.240 -4.394 1.00 0.53 H new ATOM 0 HD1 PHE A 621 -1.372 -2.824 -4.712 1.00 0.87 H new ATOM 0 HD2 PHE A 621 1.524 -5.285 -2.783 1.00 0.96 H new ATOM 0 HE1 PHE A 621 -0.444 -0.849 -3.584 1.00 1.13 H new ATOM 0 HE2 PHE A 621 2.454 -3.308 -1.656 1.00 1.21 H new ATOM 0 HZ PHE A 621 1.488 -1.084 -2.077 1.00 1.27 H new ATOM 455 N LYS A 622 0.667 -6.312 -7.547 1.00 0.33 N ATOM 456 CA LYS A 622 1.887 -6.488 -8.335 1.00 0.39 C ATOM 457 C LYS A 622 2.213 -5.233 -9.145 1.00 0.38 C ATOM 458 O LYS A 622 3.341 -5.061 -9.609 1.00 0.48 O ATOM 459 CB LYS A 622 1.741 -7.688 -9.273 1.00 0.48 C ATOM 460 CG LYS A 622 1.780 -9.028 -8.557 1.00 1.26 C ATOM 461 CD LYS A 622 3.131 -9.273 -7.904 1.00 2.09 C ATOM 462 CE LYS A 622 3.845 -10.459 -8.530 1.00 2.24 C ATOM 463 NZ LYS A 622 4.913 -10.996 -7.642 1.00 2.99 N ATOM 0 H LYS A 622 -0.009 -7.070 -7.643 1.00 0.33 H new ATOM 0 HA LYS A 622 2.709 -6.668 -7.642 1.00 0.39 H new ATOM 0 HB2 LYS A 622 0.799 -7.602 -9.815 1.00 0.48 H new ATOM 0 HB3 LYS A 622 2.539 -7.658 -10.014 1.00 0.48 H new ATOM 0 HG2 LYS A 622 0.997 -9.059 -7.799 1.00 1.26 H new ATOM 0 HG3 LYS A 622 1.568 -9.827 -9.267 1.00 1.26 H new ATOM 0 HD2 LYS A 622 3.750 -8.381 -8.001 1.00 2.09 H new ATOM 0 HD3 LYS A 622 2.994 -9.451 -6.837 1.00 2.09 H new ATOM 0 HE2 LYS A 622 3.122 -11.246 -8.745 1.00 2.24 H new ATOM 0 HE3 LYS A 622 4.282 -10.158 -9.482 1.00 2.24 H new ATOM 0 HZ1 LYS A 622 5.376 -11.804 -8.105 1.00 2.99 H new ATOM 0 HZ2 LYS A 622 5.617 -10.253 -7.457 1.00 2.99 H new ATOM 0 HZ3 LYS A 622 4.493 -11.307 -6.743 1.00 2.99 H new ATOM 477 N GLN A 623 1.225 -4.357 -9.304 1.00 0.35 N ATOM 478 CA GLN A 623 1.413 -3.116 -10.047 1.00 0.46 C ATOM 479 C GLN A 623 1.228 -1.908 -9.132 1.00 0.49 C ATOM 480 O GLN A 623 1.615 -0.790 -9.475 1.00 0.63 O ATOM 481 CB GLN A 623 0.433 -3.042 -11.220 1.00 0.55 C ATOM 482 CG GLN A 623 -0.919 -3.672 -10.925 1.00 0.68 C ATOM 483 CD GLN A 623 -1.083 -5.031 -11.575 1.00 0.92 C ATOM 484 OE1 GLN A 623 -1.587 -5.141 -12.693 1.00 1.48 O ATOM 485 NE2 GLN A 623 -0.656 -6.077 -10.876 1.00 1.27 N ATOM 0 H GLN A 623 0.286 -4.484 -8.928 1.00 0.35 H new ATOM 0 HA GLN A 623 2.430 -3.103 -10.438 1.00 0.46 H new ATOM 0 HB2 GLN A 623 0.286 -1.997 -11.494 1.00 0.55 H new ATOM 0 HB3 GLN A 623 0.875 -3.539 -12.084 1.00 0.55 H new ATOM 0 HG2 GLN A 623 -1.041 -3.772 -9.847 1.00 0.68 H new ATOM 0 HG3 GLN A 623 -1.709 -3.008 -11.275 1.00 0.68 H new ATOM 0 HE21 GLN A 623 -0.244 -5.940 -9.953 1.00 1.27 H new ATOM 0 HE22 GLN A 623 -0.740 -7.017 -11.263 1.00 1.27 H new ATOM 494 N GLY A 624 0.638 -2.145 -7.962 1.00 0.42 N ATOM 495 CA GLY A 624 0.415 -1.074 -7.006 1.00 0.47 C ATOM 496 C GLY A 624 -0.869 -0.310 -7.274 1.00 0.66 C ATOM 497 O GLY A 624 -1.955 -0.891 -7.272 1.00 1.40 O ATOM 0 H GLY A 624 0.310 -3.062 -7.659 1.00 0.42 H new ATOM 0 HA2 GLY A 624 0.382 -1.491 -6.000 1.00 0.47 H new ATOM 0 HA3 GLY A 624 1.258 -0.383 -7.037 1.00 0.47 H new ATOM 501 N THR A 625 -0.742 0.995 -7.496 1.00 0.31 N ATOM 502 CA THR A 625 -1.899 1.848 -7.760 1.00 0.32 C ATOM 503 C THR A 625 -2.419 1.674 -9.190 1.00 0.34 C ATOM 504 O THR A 625 -2.745 2.652 -9.865 1.00 0.61 O ATOM 505 CB THR A 625 -1.560 3.332 -7.519 1.00 0.34 C ATOM 506 OG1 THR A 625 -2.718 4.145 -7.749 1.00 0.91 O ATOM 507 CG2 THR A 625 -0.426 3.787 -8.429 1.00 0.76 C ATOM 0 H THR A 625 0.152 1.487 -7.499 1.00 0.31 H new ATOM 0 HA THR A 625 -2.681 1.539 -7.066 1.00 0.32 H new ATOM 0 HB THR A 625 -1.239 3.442 -6.483 1.00 0.34 H new ATOM 0 HG1 THR A 625 -3.069 3.968 -8.647 1.00 0.91 H new ATOM 0 HG21 THR A 625 -0.206 4.838 -8.239 1.00 0.76 H new ATOM 0 HG22 THR A 625 0.463 3.189 -8.230 1.00 0.76 H new ATOM 0 HG23 THR A 625 -0.722 3.661 -9.470 1.00 0.76 H new ATOM 515 N SER A 626 -2.503 0.427 -9.647 1.00 0.37 N ATOM 516 CA SER A 626 -2.991 0.142 -10.992 1.00 0.37 C ATOM 517 C SER A 626 -4.058 -0.950 -10.969 1.00 0.31 C ATOM 518 O SER A 626 -4.568 -1.351 -12.014 1.00 0.31 O ATOM 519 CB SER A 626 -1.833 -0.282 -11.897 1.00 0.43 C ATOM 520 OG SER A 626 -2.046 0.144 -13.231 1.00 0.92 O ATOM 0 H SER A 626 -2.241 -0.398 -9.108 1.00 0.37 H new ATOM 0 HA SER A 626 -3.440 1.053 -11.387 1.00 0.37 H new ATOM 0 HB2 SER A 626 -0.901 0.140 -11.522 1.00 0.43 H new ATOM 0 HB3 SER A 626 -1.725 -1.366 -11.871 1.00 0.43 H new ATOM 0 HG SER A 626 -1.291 -0.138 -13.789 1.00 0.92 H new ATOM 526 N LYS A 627 -4.391 -1.424 -9.771 1.00 0.30 N ATOM 527 CA LYS A 627 -5.399 -2.468 -9.611 1.00 0.31 C ATOM 528 C LYS A 627 -6.007 -2.435 -8.211 1.00 0.32 C ATOM 529 O LYS A 627 -5.290 -2.354 -7.213 1.00 0.47 O ATOM 530 CB LYS A 627 -4.785 -3.845 -9.875 1.00 0.36 C ATOM 531 CG LYS A 627 -4.818 -4.257 -11.336 1.00 0.41 C ATOM 532 CD LYS A 627 -6.218 -4.665 -11.770 1.00 0.86 C ATOM 533 CE LYS A 627 -6.481 -4.294 -13.221 1.00 1.24 C ATOM 534 NZ LYS A 627 -7.027 -5.441 -13.999 1.00 1.87 N ATOM 0 H LYS A 627 -3.977 -1.101 -8.896 1.00 0.30 H new ATOM 0 HA LYS A 627 -6.191 -2.282 -10.336 1.00 0.31 H new ATOM 0 HB2 LYS A 627 -3.751 -3.844 -9.530 1.00 0.36 H new ATOM 0 HB3 LYS A 627 -5.318 -4.590 -9.284 1.00 0.36 H new ATOM 0 HG2 LYS A 627 -4.470 -3.431 -11.956 1.00 0.41 H new ATOM 0 HG3 LYS A 627 -4.130 -5.087 -11.496 1.00 0.41 H new ATOM 0 HD2 LYS A 627 -6.342 -5.740 -11.640 1.00 0.86 H new ATOM 0 HD3 LYS A 627 -6.955 -4.180 -11.130 1.00 0.86 H new ATOM 0 HE2 LYS A 627 -7.183 -3.461 -13.261 1.00 1.24 H new ATOM 0 HE3 LYS A 627 -5.554 -3.952 -13.682 1.00 1.24 H new ATOM 0 HZ1 LYS A 627 -7.192 -5.146 -14.983 1.00 1.87 H new ATOM 0 HZ2 LYS A 627 -6.346 -6.227 -13.983 1.00 1.87 H new ATOM 0 HZ3 LYS A 627 -7.925 -5.752 -13.575 1.00 1.87 H new ATOM 548 N LYS A 628 -7.333 -2.504 -8.148 1.00 0.28 N ATOM 549 CA LYS A 628 -8.045 -2.488 -6.872 1.00 0.29 C ATOM 550 C LYS A 628 -7.839 -3.797 -6.118 1.00 0.28 C ATOM 551 O LYS A 628 -8.445 -4.816 -6.451 1.00 0.45 O ATOM 552 CB LYS A 628 -9.540 -2.252 -7.100 1.00 0.32 C ATOM 553 CG LYS A 628 -9.840 -1.267 -8.218 1.00 1.00 C ATOM 554 CD LYS A 628 -11.282 -0.790 -8.168 1.00 1.24 C ATOM 555 CE LYS A 628 -11.594 0.158 -9.315 1.00 1.55 C ATOM 556 NZ LYS A 628 -12.634 1.157 -8.941 1.00 2.32 N ATOM 0 H LYS A 628 -7.938 -2.572 -8.966 1.00 0.28 H new ATOM 0 HA LYS A 628 -7.641 -1.673 -6.271 1.00 0.29 H new ATOM 0 HB2 LYS A 628 -10.018 -3.204 -7.329 1.00 0.32 H new ATOM 0 HB3 LYS A 628 -9.986 -1.885 -6.175 1.00 0.32 H new ATOM 0 HG2 LYS A 628 -9.170 -0.411 -8.140 1.00 1.00 H new ATOM 0 HG3 LYS A 628 -9.645 -1.738 -9.181 1.00 1.00 H new ATOM 0 HD2 LYS A 628 -11.952 -1.648 -8.211 1.00 1.24 H new ATOM 0 HD3 LYS A 628 -11.468 -0.288 -7.219 1.00 1.24 H new ATOM 0 HE2 LYS A 628 -10.684 0.677 -9.616 1.00 1.55 H new ATOM 0 HE3 LYS A 628 -11.934 -0.415 -10.178 1.00 1.55 H new ATOM 0 HZ1 LYS A 628 -13.062 1.552 -9.803 1.00 2.32 H new ATOM 0 HZ2 LYS A 628 -13.370 0.695 -8.370 1.00 2.32 H new ATOM 0 HZ3 LYS A 628 -12.197 1.923 -8.389 1.00 2.32 H new ATOM 570 N CYS A 629 -6.975 -3.768 -5.105 1.00 0.18 N ATOM 571 CA CYS A 629 -6.692 -4.960 -4.315 1.00 0.17 C ATOM 572 C CYS A 629 -7.057 -4.761 -2.845 1.00 0.16 C ATOM 573 O CYS A 629 -6.832 -5.645 -2.021 1.00 0.17 O ATOM 574 CB CYS A 629 -5.212 -5.327 -4.434 1.00 0.20 C ATOM 575 SG CYS A 629 -4.114 -3.904 -4.625 1.00 0.33 S ATOM 0 H CYS A 629 -6.462 -2.936 -4.815 1.00 0.18 H new ATOM 0 HA CYS A 629 -7.305 -5.771 -4.708 1.00 0.17 H new ATOM 0 HB2 CYS A 629 -4.914 -5.886 -3.547 1.00 0.20 H new ATOM 0 HB3 CYS A 629 -5.081 -5.991 -5.288 1.00 0.20 H new ATOM 0 HG CYS A 629 -4.492 -3.198 -5.649 1.00 0.33 H new ATOM 581 N ILE A 630 -7.622 -3.602 -2.520 1.00 0.16 N ATOM 582 CA ILE A 630 -8.012 -3.309 -1.142 1.00 0.18 C ATOM 583 C ILE A 630 -9.497 -3.575 -0.919 1.00 0.18 C ATOM 584 O ILE A 630 -10.353 -2.849 -1.421 1.00 0.21 O ATOM 585 CB ILE A 630 -7.687 -1.849 -0.761 1.00 0.21 C ATOM 586 CG1 ILE A 630 -6.176 -1.660 -0.632 1.00 0.22 C ATOM 587 CG2 ILE A 630 -8.381 -1.463 0.540 1.00 0.29 C ATOM 588 CD1 ILE A 630 -5.675 -0.361 -1.224 1.00 0.31 C ATOM 0 H ILE A 630 -7.819 -2.855 -3.185 1.00 0.16 H new ATOM 0 HA ILE A 630 -7.433 -3.975 -0.501 1.00 0.18 H new ATOM 0 HB ILE A 630 -8.057 -1.197 -1.553 1.00 0.21 H new ATOM 0 HG12 ILE A 630 -5.902 -1.698 0.422 1.00 0.22 H new ATOM 0 HG13 ILE A 630 -5.671 -2.492 -1.123 1.00 0.22 H new ATOM 0 HG21 ILE A 630 -8.138 -0.430 0.789 1.00 0.29 H new ATOM 0 HG22 ILE A 630 -9.460 -1.563 0.421 1.00 0.29 H new ATOM 0 HG23 ILE A 630 -8.042 -2.119 1.342 1.00 0.29 H new ATOM 0 HD11 ILE A 630 -4.595 -0.296 -1.096 1.00 0.31 H new ATOM 0 HD12 ILE A 630 -5.917 -0.328 -2.286 1.00 0.31 H new ATOM 0 HD13 ILE A 630 -6.152 0.478 -0.717 1.00 0.31 H new ATOM 600 N GLN A 631 -9.793 -4.623 -0.157 1.00 0.23 N ATOM 601 CA GLN A 631 -11.172 -4.991 0.141 1.00 0.27 C ATOM 602 C GLN A 631 -11.598 -4.451 1.503 1.00 0.29 C ATOM 603 O GLN A 631 -11.007 -4.792 2.527 1.00 0.34 O ATOM 604 CB GLN A 631 -11.330 -6.513 0.109 1.00 0.35 C ATOM 605 CG GLN A 631 -12.767 -6.983 0.271 1.00 0.41 C ATOM 606 CD GLN A 631 -12.894 -8.492 0.219 1.00 0.60 C ATOM 607 OE1 GLN A 631 -11.966 -9.218 0.575 1.00 1.15 O ATOM 608 NE2 GLN A 631 -14.049 -8.974 -0.225 1.00 0.77 N ATOM 0 H GLN A 631 -9.094 -5.234 0.266 1.00 0.23 H new ATOM 0 HA GLN A 631 -11.815 -4.548 -0.620 1.00 0.27 H new ATOM 0 HB2 GLN A 631 -10.938 -6.890 -0.836 1.00 0.35 H new ATOM 0 HB3 GLN A 631 -10.723 -6.949 0.902 1.00 0.35 H new ATOM 0 HG2 GLN A 631 -13.159 -6.621 1.222 1.00 0.41 H new ATOM 0 HG3 GLN A 631 -13.381 -6.543 -0.515 1.00 0.41 H new ATOM 0 HE21 GLN A 631 -14.792 -8.336 -0.510 1.00 0.77 H new ATOM 0 HE22 GLN A 631 -14.193 -9.982 -0.281 1.00 0.77 H new ATOM 617 N SER A 632 -12.628 -3.608 1.505 1.00 0.28 N ATOM 618 CA SER A 632 -13.134 -3.024 2.741 1.00 0.32 C ATOM 619 C SER A 632 -14.199 -3.921 3.365 1.00 0.56 C ATOM 620 O SER A 632 -14.652 -4.884 2.745 1.00 0.83 O ATOM 621 CB SER A 632 -13.712 -1.633 2.474 1.00 0.70 C ATOM 622 OG SER A 632 -15.005 -1.720 1.900 1.00 1.80 O ATOM 0 H SER A 632 -13.127 -3.315 0.665 1.00 0.28 H new ATOM 0 HA SER A 632 -12.303 -2.934 3.441 1.00 0.32 H new ATOM 0 HB2 SER A 632 -13.762 -1.071 3.407 1.00 0.70 H new ATOM 0 HB3 SER A 632 -13.050 -1.083 1.805 1.00 0.70 H new ATOM 0 HG SER A 632 -15.353 -0.818 1.740 1.00 1.80 H new ATOM 677 N LYS A 636 -15.891 -4.562 -0.791 1.00 0.37 N ATOM 678 CA LYS A 636 -15.623 -3.773 -1.988 1.00 0.37 C ATOM 679 C LYS A 636 -14.125 -3.582 -2.195 1.00 0.31 C ATOM 680 O LYS A 636 -13.384 -3.341 -1.243 1.00 0.36 O ATOM 681 CB LYS A 636 -16.310 -2.413 -1.881 1.00 0.51 C ATOM 682 CG LYS A 636 -17.602 -2.323 -2.673 1.00 0.90 C ATOM 683 CD LYS A 636 -17.412 -1.537 -3.960 1.00 0.81 C ATOM 684 CE LYS A 636 -17.952 -0.123 -3.830 1.00 1.13 C ATOM 685 NZ LYS A 636 -19.281 0.027 -4.482 1.00 1.60 N ATOM 0 HA LYS A 636 -16.020 -4.313 -2.847 1.00 0.37 H new ATOM 0 HB2 LYS A 636 -16.521 -2.203 -0.832 1.00 0.51 H new ATOM 0 HB3 LYS A 636 -15.625 -1.640 -2.230 1.00 0.51 H new ATOM 0 HG2 LYS A 636 -17.957 -3.327 -2.907 1.00 0.90 H new ATOM 0 HG3 LYS A 636 -18.371 -1.847 -2.065 1.00 0.90 H new ATOM 0 HD2 LYS A 636 -16.353 -1.502 -4.214 1.00 0.81 H new ATOM 0 HD3 LYS A 636 -17.919 -2.048 -4.779 1.00 0.81 H new ATOM 0 HE2 LYS A 636 -18.034 0.138 -2.775 1.00 1.13 H new ATOM 0 HE3 LYS A 636 -17.247 0.577 -4.278 1.00 1.13 H new ATOM 0 HZ1 LYS A 636 -19.614 1.006 -4.371 1.00 1.60 H new ATOM 0 HZ2 LYS A 636 -19.198 -0.198 -5.494 1.00 1.60 H new ATOM 0 HZ3 LYS A 636 -19.961 -0.623 -4.038 1.00 1.60 H new ATOM 699 N TRP A 637 -13.686 -3.690 -3.444 1.00 0.25 N ATOM 700 CA TRP A 637 -12.273 -3.529 -3.770 1.00 0.21 C ATOM 701 C TRP A 637 -12.004 -2.132 -4.321 1.00 0.22 C ATOM 702 O TRP A 637 -12.725 -1.651 -5.196 1.00 0.26 O ATOM 703 CB TRP A 637 -11.837 -4.585 -4.793 1.00 0.22 C ATOM 704 CG TRP A 637 -11.962 -6.000 -4.304 1.00 0.27 C ATOM 705 CD1 TRP A 637 -12.770 -6.463 -3.302 1.00 0.38 C ATOM 706 CD2 TRP A 637 -11.254 -7.142 -4.804 1.00 0.33 C ATOM 707 NE1 TRP A 637 -12.606 -7.818 -3.149 1.00 0.42 N ATOM 708 CE2 TRP A 637 -11.681 -8.258 -4.058 1.00 0.39 C ATOM 709 CE3 TRP A 637 -10.300 -7.329 -5.809 1.00 0.46 C ATOM 710 CZ2 TRP A 637 -11.187 -9.541 -4.288 1.00 0.49 C ATOM 711 CZ3 TRP A 637 -9.811 -8.603 -6.034 1.00 0.60 C ATOM 712 CH2 TRP A 637 -10.256 -9.694 -5.277 1.00 0.60 C ATOM 0 H TRP A 637 -14.285 -3.888 -4.245 1.00 0.25 H new ATOM 0 HA TRP A 637 -11.696 -3.662 -2.855 1.00 0.21 H new ATOM 0 HB2 TRP A 637 -12.436 -4.470 -5.696 1.00 0.22 H new ATOM 0 HB3 TRP A 637 -10.800 -4.399 -5.072 1.00 0.22 H new ATOM 0 HD1 TRP A 637 -13.440 -5.851 -2.716 1.00 0.38 H new ATOM 0 HE1 TRP A 637 -13.094 -8.401 -2.469 1.00 0.42 H new ATOM 0 HE3 TRP A 637 -9.951 -6.494 -6.399 1.00 0.46 H new ATOM 0 HZ2 TRP A 637 -11.528 -10.384 -3.705 1.00 0.49 H new ATOM 0 HZ3 TRP A 637 -9.073 -8.759 -6.807 1.00 0.60 H new ATOM 0 HH2 TRP A 637 -9.855 -10.676 -5.479 1.00 0.60 H new ATOM 723 N PHE A 638 -10.956 -1.489 -3.810 1.00 0.24 N ATOM 724 CA PHE A 638 -10.584 -0.149 -4.256 1.00 0.30 C ATOM 725 C PHE A 638 -9.094 -0.078 -4.566 1.00 0.27 C ATOM 726 O PHE A 638 -8.345 -1.014 -4.285 1.00 0.29 O ATOM 727 CB PHE A 638 -10.909 0.900 -3.186 1.00 0.41 C ATOM 728 CG PHE A 638 -12.300 0.823 -2.620 1.00 0.29 C ATOM 729 CD1 PHE A 638 -13.388 0.668 -3.465 1.00 0.76 C ATOM 730 CD2 PHE A 638 -12.522 0.884 -1.253 1.00 0.62 C ATOM 731 CE1 PHE A 638 -14.669 0.579 -2.960 1.00 0.87 C ATOM 732 CE2 PHE A 638 -13.803 0.799 -0.742 1.00 0.69 C ATOM 733 CZ PHE A 638 -14.865 0.716 -1.553 1.00 0.59 C ATOM 0 H PHE A 638 -10.349 -1.875 -3.086 1.00 0.24 H new ATOM 0 HA PHE A 638 -11.160 0.061 -5.157 1.00 0.30 H new ATOM 0 HB2 PHE A 638 -10.195 0.797 -2.369 1.00 0.41 H new ATOM 0 HB3 PHE A 638 -10.762 1.891 -3.615 1.00 0.41 H new ATOM 0 HD1 PHE A 638 -13.231 0.616 -4.532 1.00 0.76 H new ATOM 0 HD2 PHE A 638 -11.685 0.999 -0.580 1.00 0.62 H new ATOM 0 HE1 PHE A 638 -15.508 0.409 -3.618 1.00 0.87 H new ATOM 0 HE2 PHE A 638 -13.950 0.800 0.328 1.00 0.69 H new ATOM 0 HZ PHE A 638 -15.864 0.753 -1.145 1.00 0.59 H new ATOM 743 N THR A 639 -8.669 1.049 -5.123 1.00 0.25 N ATOM 744 CA THR A 639 -7.266 1.265 -5.448 1.00 0.25 C ATOM 745 C THR A 639 -6.641 2.215 -4.430 1.00 0.22 C ATOM 746 O THR A 639 -7.362 2.887 -3.695 1.00 0.21 O ATOM 747 CB THR A 639 -7.101 1.849 -6.864 1.00 0.30 C ATOM 748 OG1 THR A 639 -8.331 2.444 -7.298 1.00 0.37 O ATOM 749 CG2 THR A 639 -6.681 0.769 -7.849 1.00 0.39 C ATOM 0 H THR A 639 -9.280 1.831 -5.360 1.00 0.25 H new ATOM 0 HA THR A 639 -6.761 0.300 -5.415 1.00 0.25 H new ATOM 0 HB THR A 639 -6.322 2.611 -6.829 1.00 0.30 H new ATOM 0 HG1 THR A 639 -8.216 2.814 -8.198 1.00 0.37 H new ATOM 0 HG21 THR A 639 -6.571 1.205 -8.842 1.00 0.39 H new ATOM 0 HG22 THR A 639 -5.730 0.339 -7.534 1.00 0.39 H new ATOM 0 HG23 THR A 639 -7.441 -0.012 -7.878 1.00 0.39 H new ATOM 757 N PRO A 640 -5.297 2.289 -4.359 1.00 0.23 N ATOM 758 CA PRO A 640 -4.608 3.174 -3.411 1.00 0.23 C ATOM 759 C PRO A 640 -5.185 4.590 -3.403 1.00 0.21 C ATOM 760 O PRO A 640 -4.968 5.354 -2.462 1.00 0.22 O ATOM 761 CB PRO A 640 -3.171 3.179 -3.926 1.00 0.27 C ATOM 762 CG PRO A 640 -3.007 1.848 -4.570 1.00 0.30 C ATOM 763 CD PRO A 640 -4.341 1.520 -5.184 1.00 0.27 C ATOM 0 HA PRO A 640 -4.708 2.830 -2.382 1.00 0.23 H new ATOM 0 HB2 PRO A 640 -3.006 3.988 -4.637 1.00 0.27 H new ATOM 0 HB3 PRO A 640 -2.458 3.319 -3.114 1.00 0.27 H new ATOM 0 HG2 PRO A 640 -2.224 1.875 -5.328 1.00 0.30 H new ATOM 0 HG3 PRO A 640 -2.717 1.093 -3.839 1.00 0.30 H new ATOM 0 HD2 PRO A 640 -4.385 1.817 -6.232 1.00 0.27 H new ATOM 0 HD3 PRO A 640 -4.548 0.451 -5.147 1.00 0.27 H new ATOM 771 N ARG A 641 -5.927 4.930 -4.453 1.00 0.20 N ATOM 772 CA ARG A 641 -6.543 6.247 -4.562 1.00 0.21 C ATOM 773 C ARG A 641 -7.942 6.246 -3.945 1.00 0.19 C ATOM 774 O ARG A 641 -8.247 7.062 -3.074 1.00 0.23 O ATOM 775 CB ARG A 641 -6.616 6.669 -6.032 1.00 0.25 C ATOM 776 CG ARG A 641 -7.597 7.799 -6.297 1.00 0.27 C ATOM 777 CD ARG A 641 -6.892 9.031 -6.841 1.00 0.62 C ATOM 778 NE ARG A 641 -6.020 8.709 -7.968 1.00 1.36 N ATOM 779 CZ ARG A 641 -5.669 9.587 -8.903 1.00 1.81 C ATOM 780 NH1 ARG A 641 -6.122 10.832 -8.854 1.00 2.09 N ATOM 781 NH2 ARG A 641 -4.865 9.217 -9.890 1.00 2.60 N ATOM 0 H ARG A 641 -6.116 4.310 -5.241 1.00 0.20 H new ATOM 0 HA ARG A 641 -5.929 6.962 -4.014 1.00 0.21 H new ATOM 0 HB2 ARG A 641 -5.624 6.977 -6.362 1.00 0.25 H new ATOM 0 HB3 ARG A 641 -6.899 5.806 -6.635 1.00 0.25 H new ATOM 0 HG2 ARG A 641 -8.353 7.467 -7.009 1.00 0.27 H new ATOM 0 HG3 ARG A 641 -8.118 8.054 -5.374 1.00 0.27 H new ATOM 0 HD2 ARG A 641 -7.634 9.765 -7.155 1.00 0.62 H new ATOM 0 HD3 ARG A 641 -6.304 9.492 -6.048 1.00 0.62 H new ATOM 0 HE ARG A 641 -5.660 7.757 -8.042 1.00 1.36 H new ATOM 0 HH11 ARG A 641 -6.742 11.120 -8.097 1.00 2.09 H new ATOM 0 HH12 ARG A 641 -5.850 11.502 -9.573 1.00 2.09 H new ATOM 0 HH21 ARG A 641 -4.516 8.259 -9.932 1.00 2.60 H new ATOM 0 HH22 ARG A 641 -4.595 9.890 -10.608 1.00 2.60 H new ATOM 795 N GLU A 642 -8.786 5.323 -4.402 1.00 0.20 N ATOM 796 CA GLU A 642 -10.151 5.215 -3.895 1.00 0.23 C ATOM 797 C GLU A 642 -10.147 4.879 -2.409 1.00 0.23 C ATOM 798 O GLU A 642 -11.098 5.182 -1.688 1.00 0.26 O ATOM 799 CB GLU A 642 -10.925 4.149 -4.671 1.00 0.26 C ATOM 800 CG GLU A 642 -12.205 4.668 -5.306 1.00 0.63 C ATOM 801 CD GLU A 642 -12.862 3.649 -6.216 1.00 0.89 C ATOM 802 OE1 GLU A 642 -13.668 2.837 -5.715 1.00 1.60 O ATOM 803 OE2 GLU A 642 -12.570 3.662 -7.430 1.00 1.33 O ATOM 0 H GLU A 642 -8.548 4.640 -5.122 1.00 0.20 H new ATOM 0 HA GLU A 642 -10.643 6.178 -4.033 1.00 0.23 H new ATOM 0 HB2 GLU A 642 -10.282 3.741 -5.451 1.00 0.26 H new ATOM 0 HB3 GLU A 642 -11.170 3.328 -3.998 1.00 0.26 H new ATOM 0 HG2 GLU A 642 -12.905 4.953 -4.521 1.00 0.63 H new ATOM 0 HG3 GLU A 642 -11.983 5.569 -5.877 1.00 0.63 H new ATOM 810 N PHE A 643 -9.061 4.261 -1.958 1.00 0.22 N ATOM 811 CA PHE A 643 -8.913 3.889 -0.558 1.00 0.23 C ATOM 812 C PHE A 643 -8.538 5.110 0.268 1.00 0.23 C ATOM 813 O PHE A 643 -8.996 5.274 1.399 1.00 0.25 O ATOM 814 CB PHE A 643 -7.848 2.799 -0.407 1.00 0.24 C ATOM 815 CG PHE A 643 -7.884 2.087 0.920 1.00 0.21 C ATOM 816 CD1 PHE A 643 -9.091 1.849 1.557 1.00 0.26 C ATOM 817 CD2 PHE A 643 -6.713 1.662 1.533 1.00 0.27 C ATOM 818 CE1 PHE A 643 -9.132 1.200 2.777 1.00 0.35 C ATOM 819 CE2 PHE A 643 -6.748 1.011 2.752 1.00 0.33 C ATOM 820 CZ PHE A 643 -7.938 0.765 3.367 1.00 0.37 C ATOM 0 H PHE A 643 -8.267 4.007 -2.546 1.00 0.22 H new ATOM 0 HA PHE A 643 -9.864 3.497 -0.196 1.00 0.23 H new ATOM 0 HB2 PHE A 643 -7.977 2.067 -1.204 1.00 0.24 H new ATOM 0 HB3 PHE A 643 -6.863 3.247 -0.541 1.00 0.24 H new ATOM 0 HD1 PHE A 643 -10.011 2.174 1.095 1.00 0.26 H new ATOM 0 HD2 PHE A 643 -5.763 1.842 1.052 1.00 0.27 H new ATOM 0 HE1 PHE A 643 -10.077 1.030 3.271 1.00 0.35 H new ATOM 0 HE2 PHE A 643 -5.827 0.696 3.219 1.00 0.33 H new ATOM 0 HZ PHE A 643 -7.961 0.235 4.308 1.00 0.37 H new ATOM 830 N GLU A 644 -7.711 5.973 -0.316 1.00 0.22 N ATOM 831 CA GLU A 644 -7.282 7.194 0.352 1.00 0.24 C ATOM 832 C GLU A 644 -8.487 8.085 0.633 1.00 0.26 C ATOM 833 O GLU A 644 -8.542 8.775 1.649 1.00 0.29 O ATOM 834 CB GLU A 644 -6.258 7.939 -0.511 1.00 0.25 C ATOM 835 CG GLU A 644 -6.039 9.386 -0.096 1.00 0.33 C ATOM 836 CD GLU A 644 -5.469 10.234 -1.217 1.00 0.65 C ATOM 837 OE1 GLU A 644 -6.245 10.638 -2.108 1.00 1.01 O ATOM 838 OE2 GLU A 644 -4.248 10.496 -1.201 1.00 1.39 O ATOM 0 H GLU A 644 -7.325 5.847 -1.252 1.00 0.22 H new ATOM 0 HA GLU A 644 -6.811 6.931 1.299 1.00 0.24 H new ATOM 0 HB2 GLU A 644 -5.306 7.410 -0.466 1.00 0.25 H new ATOM 0 HB3 GLU A 644 -6.587 7.915 -1.550 1.00 0.25 H new ATOM 0 HG2 GLU A 644 -6.986 9.813 0.232 1.00 0.33 H new ATOM 0 HG3 GLU A 644 -5.362 9.417 0.758 1.00 0.33 H new ATOM 845 N ILE A 645 -9.451 8.056 -0.281 1.00 0.27 N ATOM 846 CA ILE A 645 -10.665 8.851 -0.145 1.00 0.31 C ATOM 847 C ILE A 645 -11.504 8.370 1.038 1.00 0.31 C ATOM 848 O ILE A 645 -12.040 9.177 1.798 1.00 0.35 O ATOM 849 CB ILE A 645 -11.510 8.795 -1.439 1.00 0.36 C ATOM 850 CG1 ILE A 645 -10.989 9.813 -2.456 1.00 0.44 C ATOM 851 CG2 ILE A 645 -12.982 9.047 -1.143 1.00 0.43 C ATOM 852 CD1 ILE A 645 -11.134 9.360 -3.892 1.00 0.51 C ATOM 0 H ILE A 645 -9.414 7.488 -1.127 1.00 0.27 H new ATOM 0 HA ILE A 645 -10.363 9.883 0.034 1.00 0.31 H new ATOM 0 HB ILE A 645 -11.418 7.795 -1.862 1.00 0.36 H new ATOM 0 HG12 ILE A 645 -11.525 10.753 -2.324 1.00 0.44 H new ATOM 0 HG13 ILE A 645 -9.937 10.014 -2.251 1.00 0.44 H new ATOM 0 HG21 ILE A 645 -13.553 9.002 -2.071 1.00 0.43 H new ATOM 0 HG22 ILE A 645 -13.350 8.287 -0.453 1.00 0.43 H new ATOM 0 HG23 ILE A 645 -13.099 10.033 -0.693 1.00 0.43 H new ATOM 0 HD11 ILE A 645 -10.745 10.130 -4.558 1.00 0.51 H new ATOM 0 HD12 ILE A 645 -10.575 8.436 -4.040 1.00 0.51 H new ATOM 0 HD13 ILE A 645 -12.187 9.187 -4.114 1.00 0.51 H new ATOM 864 N GLU A 646 -11.613 7.052 1.187 1.00 0.30 N ATOM 865 CA GLU A 646 -12.388 6.466 2.275 1.00 0.33 C ATOM 866 C GLU A 646 -11.652 6.592 3.606 1.00 0.27 C ATOM 867 O GLU A 646 -12.275 6.666 4.666 1.00 0.29 O ATOM 868 CB GLU A 646 -12.685 4.995 1.981 1.00 0.41 C ATOM 869 CG GLU A 646 -13.835 4.435 2.800 1.00 0.70 C ATOM 870 CD GLU A 646 -15.075 4.176 1.967 1.00 1.38 C ATOM 871 OE1 GLU A 646 -14.932 3.914 0.754 1.00 1.99 O ATOM 872 OE2 GLU A 646 -16.189 4.235 2.527 1.00 1.90 O ATOM 0 H GLU A 646 -11.174 6.371 0.568 1.00 0.30 H new ATOM 0 HA GLU A 646 -13.327 7.014 2.351 1.00 0.33 H new ATOM 0 HB2 GLU A 646 -12.916 4.884 0.922 1.00 0.41 H new ATOM 0 HB3 GLU A 646 -11.789 4.405 2.176 1.00 0.41 H new ATOM 0 HG2 GLU A 646 -13.520 3.505 3.273 1.00 0.70 H new ATOM 0 HG3 GLU A 646 -14.079 5.133 3.601 1.00 0.70 H new ATOM 879 N GLY A 647 -10.325 6.616 3.544 1.00 0.23 N ATOM 880 CA GLY A 647 -9.527 6.733 4.750 1.00 0.25 C ATOM 881 C GLY A 647 -9.215 8.172 5.104 1.00 0.28 C ATOM 882 O GLY A 647 -8.694 8.456 6.183 1.00 0.65 O ATOM 0 H GLY A 647 -9.788 6.556 2.679 1.00 0.23 H new ATOM 0 HA2 GLY A 647 -10.058 6.266 5.579 1.00 0.25 H new ATOM 0 HA3 GLY A 647 -8.594 6.184 4.619 1.00 0.25 H new ATOM 886 N ASP A 648 -9.533 9.085 4.192 1.00 0.46 N ATOM 887 CA ASP A 648 -9.283 10.503 4.410 1.00 0.53 C ATOM 888 C ASP A 648 -10.353 11.353 3.731 1.00 0.61 C ATOM 889 O ASP A 648 -11.276 11.838 4.387 1.00 1.12 O ATOM 890 CB ASP A 648 -7.895 10.883 3.891 1.00 0.61 C ATOM 891 CG ASP A 648 -7.093 11.677 4.904 1.00 1.01 C ATOM 892 OD1 ASP A 648 -7.710 12.369 5.741 1.00 1.46 O ATOM 893 OD2 ASP A 648 -5.846 11.608 4.860 1.00 1.40 O ATOM 0 H ASP A 648 -9.965 8.867 3.294 1.00 0.46 H new ATOM 0 HA ASP A 648 -9.323 10.696 5.482 1.00 0.53 H new ATOM 0 HB2 ASP A 648 -7.348 9.977 3.629 1.00 0.61 H new ATOM 0 HB3 ASP A 648 -8.000 11.468 2.977 1.00 0.61 H new ATOM 898 N ARG A 649 -10.228 11.521 2.414 1.00 0.57 N ATOM 899 CA ARG A 649 -11.190 12.309 1.644 1.00 0.66 C ATOM 900 C ARG A 649 -10.790 12.381 0.175 1.00 0.72 C ATOM 901 O ARG A 649 -11.645 12.445 -0.709 1.00 0.89 O ATOM 902 CB ARG A 649 -11.306 13.726 2.213 1.00 0.76 C ATOM 903 CG ARG A 649 -12.731 14.260 2.236 1.00 0.97 C ATOM 904 CD ARG A 649 -13.216 14.618 0.840 1.00 1.41 C ATOM 905 NE ARG A 649 -14.237 15.663 0.863 1.00 1.88 N ATOM 906 CZ ARG A 649 -15.284 15.689 0.043 1.00 2.63 C ATOM 907 NH1 ARG A 649 -15.446 14.735 -0.864 1.00 2.98 N ATOM 908 NH2 ARG A 649 -16.169 16.672 0.129 1.00 3.19 N ATOM 0 H ARG A 649 -9.471 11.122 1.859 1.00 0.57 H new ATOM 0 HA ARG A 649 -12.157 11.812 1.719 1.00 0.66 H new ATOM 0 HB2 ARG A 649 -10.908 13.735 3.228 1.00 0.76 H new ATOM 0 HB3 ARG A 649 -10.685 14.398 1.621 1.00 0.76 H new ATOM 0 HG2 ARG A 649 -13.394 13.512 2.672 1.00 0.97 H new ATOM 0 HG3 ARG A 649 -12.780 15.141 2.876 1.00 0.97 H new ATOM 0 HD2 ARG A 649 -12.371 14.951 0.238 1.00 1.41 H new ATOM 0 HD3 ARG A 649 -13.620 13.728 0.358 1.00 1.41 H new ATOM 0 HE ARG A 649 -14.142 16.415 1.546 1.00 1.88 H new ATOM 0 HH11 ARG A 649 -14.766 13.978 -0.935 1.00 2.98 H new ATOM 0 HH12 ARG A 649 -16.250 14.759 -1.491 1.00 2.98 H new ATOM 0 HH21 ARG A 649 -16.047 17.409 0.824 1.00 3.19 H new ATOM 0 HH22 ARG A 649 -16.972 16.692 -0.500 1.00 3.19 H new ATOM 922 N GLY A 650 -9.488 12.379 -0.076 1.00 0.76 N ATOM 923 CA GLY A 650 -8.994 12.455 -1.437 1.00 0.89 C ATOM 924 C GLY A 650 -8.057 13.627 -1.634 1.00 0.90 C ATOM 925 O GLY A 650 -7.187 13.598 -2.504 1.00 1.02 O ATOM 0 H GLY A 650 -8.763 12.326 0.640 1.00 0.76 H new ATOM 0 HA2 GLY A 650 -8.475 11.530 -1.687 1.00 0.89 H new ATOM 0 HA3 GLY A 650 -9.836 12.544 -2.124 1.00 0.89 H new ATOM 929 N ALA A 651 -8.232 14.660 -0.814 1.00 0.85 N ATOM 930 CA ALA A 651 -7.394 15.848 -0.890 1.00 0.93 C ATOM 931 C ALA A 651 -5.986 15.545 -0.396 1.00 0.91 C ATOM 932 O ALA A 651 -5.072 16.356 -0.553 1.00 1.04 O ATOM 933 CB ALA A 651 -8.010 16.980 -0.081 1.00 0.99 C ATOM 0 H ALA A 651 -8.948 14.696 -0.089 1.00 0.85 H new ATOM 0 HA ALA A 651 -7.330 16.159 -1.933 1.00 0.93 H new ATOM 0 HB1 ALA A 651 -7.373 17.862 -0.146 1.00 0.99 H new ATOM 0 HB2 ALA A 651 -8.998 17.215 -0.478 1.00 0.99 H new ATOM 0 HB3 ALA A 651 -8.101 16.675 0.961 1.00 0.99 H new ATOM 939 N SER A 652 -5.819 14.368 0.203 1.00 0.82 N ATOM 940 CA SER A 652 -4.521 13.949 0.725 1.00 0.89 C ATOM 941 C SER A 652 -3.458 13.960 -0.371 1.00 1.07 C ATOM 942 O SER A 652 -2.261 13.996 -0.084 1.00 1.98 O ATOM 943 CB SER A 652 -4.623 12.552 1.335 1.00 0.80 C ATOM 944 OG SER A 652 -4.049 12.517 2.630 1.00 1.30 O ATOM 0 H SER A 652 -6.567 13.688 0.339 1.00 0.82 H new ATOM 0 HA SER A 652 -4.224 14.658 1.498 1.00 0.89 H new ATOM 0 HB2 SER A 652 -5.669 12.251 1.389 1.00 0.80 H new ATOM 0 HB3 SER A 652 -4.118 11.833 0.690 1.00 0.80 H new ATOM 0 HG SER A 652 -4.719 12.210 3.276 1.00 1.30 H new ATOM 950 N LYS A 653 -3.907 13.928 -1.625 1.00 0.61 N ATOM 951 CA LYS A 653 -3.003 13.934 -2.773 1.00 0.69 C ATOM 952 C LYS A 653 -2.127 12.683 -2.790 1.00 0.53 C ATOM 953 O LYS A 653 -2.447 11.701 -3.460 1.00 0.60 O ATOM 954 CB LYS A 653 -2.126 15.190 -2.761 1.00 0.94 C ATOM 955 CG LYS A 653 -1.196 15.295 -3.961 1.00 1.24 C ATOM 956 CD LYS A 653 -1.878 15.975 -5.137 1.00 1.67 C ATOM 957 CE LYS A 653 -1.046 17.131 -5.670 1.00 2.12 C ATOM 958 NZ LYS A 653 0.323 16.698 -6.064 1.00 2.50 N ATOM 0 H LYS A 653 -4.896 13.898 -1.872 1.00 0.61 H new ATOM 0 HA LYS A 653 -3.612 13.938 -3.677 1.00 0.69 H new ATOM 0 HB2 LYS A 653 -2.768 16.071 -2.731 1.00 0.94 H new ATOM 0 HB3 LYS A 653 -1.530 15.198 -1.848 1.00 0.94 H new ATOM 0 HG2 LYS A 653 -0.304 15.856 -3.683 1.00 1.24 H new ATOM 0 HG3 LYS A 653 -0.867 14.299 -4.256 1.00 1.24 H new ATOM 0 HD2 LYS A 653 -2.045 15.248 -5.932 1.00 1.67 H new ATOM 0 HD3 LYS A 653 -2.857 16.341 -4.829 1.00 1.67 H new ATOM 0 HE2 LYS A 653 -1.548 17.573 -6.531 1.00 2.12 H new ATOM 0 HE3 LYS A 653 -0.975 17.908 -4.909 1.00 2.12 H new ATOM 0 HZ1 LYS A 653 0.694 17.341 -6.792 1.00 2.50 H new ATOM 0 HZ2 LYS A 653 0.947 16.720 -5.232 1.00 2.50 H new ATOM 0 HZ3 LYS A 653 0.285 15.730 -6.443 1.00 2.50 H new ATOM 972 N ASN A 654 -1.022 12.727 -2.051 1.00 0.43 N ATOM 973 CA ASN A 654 -0.101 11.597 -1.985 1.00 0.36 C ATOM 974 C ASN A 654 -0.751 10.400 -1.297 1.00 0.31 C ATOM 975 O ASN A 654 -0.849 10.352 -0.070 1.00 0.36 O ATOM 976 CB ASN A 654 1.177 11.996 -1.244 1.00 0.46 C ATOM 977 CG ASN A 654 1.813 13.249 -1.818 1.00 0.85 C ATOM 978 OD1 ASN A 654 1.585 13.600 -2.976 1.00 1.63 O ATOM 979 ND2 ASN A 654 2.616 13.929 -1.009 1.00 1.50 N ATOM 0 H ASN A 654 -0.743 13.532 -1.490 1.00 0.43 H new ATOM 0 HA ASN A 654 0.153 11.310 -3.005 1.00 0.36 H new ATOM 0 HB2 ASN A 654 0.947 12.159 -0.191 1.00 0.46 H new ATOM 0 HB3 ASN A 654 1.892 11.175 -1.291 1.00 0.46 H new ATOM 0 HD21 ASN A 654 3.072 14.779 -1.340 1.00 1.50 H new ATOM 0 HD22 ASN A 654 2.777 13.602 -0.056 1.00 1.50 H new ATOM 986 N TRP A 655 -1.193 9.434 -2.098 1.00 0.29 N ATOM 987 CA TRP A 655 -1.833 8.233 -1.575 1.00 0.30 C ATOM 988 C TRP A 655 -0.815 7.325 -0.892 1.00 0.29 C ATOM 989 O TRP A 655 -1.172 6.490 -0.060 1.00 0.32 O ATOM 990 CB TRP A 655 -2.528 7.471 -2.706 1.00 0.33 C ATOM 991 CG TRP A 655 -1.621 7.174 -3.862 1.00 0.34 C ATOM 992 CD1 TRP A 655 -1.507 7.889 -5.020 1.00 0.36 C ATOM 993 CD2 TRP A 655 -0.700 6.082 -3.972 1.00 0.37 C ATOM 994 NE1 TRP A 655 -0.568 7.311 -5.841 1.00 0.39 N ATOM 995 CE2 TRP A 655 -0.060 6.200 -5.220 1.00 0.40 C ATOM 996 CE3 TRP A 655 -0.353 5.017 -3.136 1.00 0.40 C ATOM 997 CZ2 TRP A 655 0.906 5.293 -5.651 1.00 0.46 C ATOM 998 CZ3 TRP A 655 0.605 4.117 -3.564 1.00 0.46 C ATOM 999 CH2 TRP A 655 1.226 4.261 -4.811 1.00 0.49 C ATOM 0 H TRP A 655 -1.119 9.461 -3.115 1.00 0.29 H new ATOM 0 HA TRP A 655 -2.574 8.539 -0.837 1.00 0.30 H new ATOM 0 HB2 TRP A 655 -2.925 6.535 -2.314 1.00 0.33 H new ATOM 0 HB3 TRP A 655 -3.378 8.054 -3.060 1.00 0.33 H new ATOM 0 HD1 TRP A 655 -2.072 8.779 -5.256 1.00 0.36 H new ATOM 0 HE1 TRP A 655 -0.294 7.653 -6.762 1.00 0.39 H new ATOM 0 HE3 TRP A 655 -0.825 4.899 -2.172 1.00 0.40 H new ATOM 0 HZ2 TRP A 655 1.385 5.400 -6.613 1.00 0.46 H new ATOM 0 HZ3 TRP A 655 0.879 3.289 -2.926 1.00 0.46 H new ATOM 0 HH2 TRP A 655 1.973 3.543 -5.116 1.00 0.49 H new ATOM 1010 N LYS A 656 0.452 7.490 -1.258 1.00 0.28 N ATOM 1011 CA LYS A 656 1.527 6.680 -0.689 1.00 0.31 C ATOM 1012 C LYS A 656 1.816 7.087 0.751 1.00 0.25 C ATOM 1013 O LYS A 656 2.441 6.339 1.501 1.00 0.26 O ATOM 1014 CB LYS A 656 2.800 6.813 -1.531 1.00 0.43 C ATOM 1015 CG LYS A 656 2.545 7.223 -2.973 1.00 0.42 C ATOM 1016 CD LYS A 656 3.109 8.603 -3.268 1.00 0.81 C ATOM 1017 CE LYS A 656 3.772 8.653 -4.634 1.00 0.81 C ATOM 1018 NZ LYS A 656 5.256 8.693 -4.531 1.00 1.34 N ATOM 0 H LYS A 656 0.761 8.177 -1.946 1.00 0.28 H new ATOM 0 HA LYS A 656 1.201 5.640 -0.696 1.00 0.31 H new ATOM 0 HB2 LYS A 656 3.457 7.548 -1.065 1.00 0.43 H new ATOM 0 HB3 LYS A 656 3.330 5.861 -1.523 1.00 0.43 H new ATOM 0 HG2 LYS A 656 2.996 6.493 -3.645 1.00 0.42 H new ATOM 0 HG3 LYS A 656 1.473 7.217 -3.170 1.00 0.42 H new ATOM 0 HD2 LYS A 656 2.309 9.341 -3.224 1.00 0.81 H new ATOM 0 HD3 LYS A 656 3.834 8.873 -2.500 1.00 0.81 H new ATOM 0 HE2 LYS A 656 3.472 7.781 -5.215 1.00 0.81 H new ATOM 0 HE3 LYS A 656 3.422 9.532 -5.175 1.00 0.81 H new ATOM 0 HZ1 LYS A 656 5.672 8.641 -5.483 1.00 1.34 H new ATOM 0 HZ2 LYS A 656 5.548 9.580 -4.073 1.00 1.34 H new ATOM 0 HZ3 LYS A 656 5.587 7.886 -3.964 1.00 1.34 H new ATOM 1032 N LEU A 657 1.365 8.277 1.126 1.00 0.24 N ATOM 1033 CA LEU A 657 1.580 8.788 2.476 1.00 0.27 C ATOM 1034 C LEU A 657 0.304 8.705 3.310 1.00 0.26 C ATOM 1035 O LEU A 657 0.361 8.655 4.539 1.00 0.33 O ATOM 1036 CB LEU A 657 2.073 10.235 2.421 1.00 0.36 C ATOM 1037 CG LEU A 657 3.592 10.400 2.336 1.00 0.39 C ATOM 1038 CD1 LEU A 657 3.952 11.787 1.824 1.00 0.52 C ATOM 1039 CD2 LEU A 657 4.231 10.146 3.694 1.00 0.50 C ATOM 0 H LEU A 657 0.847 8.908 0.514 1.00 0.24 H new ATOM 0 HA LEU A 657 2.339 8.167 2.952 1.00 0.27 H new ATOM 0 HB2 LEU A 657 1.621 10.724 1.558 1.00 0.36 H new ATOM 0 HB3 LEU A 657 1.715 10.758 3.308 1.00 0.36 H new ATOM 0 HG LEU A 657 3.980 9.665 1.631 1.00 0.39 H new ATOM 0 HD11 LEU A 657 5.036 11.885 1.771 1.00 0.52 H new ATOM 0 HD12 LEU A 657 3.525 11.930 0.831 1.00 0.52 H new ATOM 0 HD13 LEU A 657 3.553 12.540 2.503 1.00 0.52 H new ATOM 0 HD21 LEU A 657 5.311 10.267 3.616 1.00 0.50 H new ATOM 0 HD22 LEU A 657 3.837 10.857 4.420 1.00 0.50 H new ATOM 0 HD23 LEU A 657 4.002 9.131 4.020 1.00 0.50 H new ATOM 1051 N SER A 658 -0.843 8.706 2.639 1.00 0.24 N ATOM 1052 CA SER A 658 -2.130 8.646 3.326 1.00 0.29 C ATOM 1053 C SER A 658 -2.475 7.224 3.766 1.00 0.25 C ATOM 1054 O SER A 658 -3.185 7.030 4.753 1.00 0.30 O ATOM 1055 CB SER A 658 -3.237 9.191 2.421 1.00 0.34 C ATOM 1056 OG SER A 658 -3.619 8.233 1.448 1.00 1.18 O ATOM 0 H SER A 658 -0.909 8.748 1.622 1.00 0.24 H new ATOM 0 HA SER A 658 -2.052 9.263 4.221 1.00 0.29 H new ATOM 0 HB2 SER A 658 -4.102 9.466 3.025 1.00 0.34 H new ATOM 0 HB3 SER A 658 -2.892 10.099 1.926 1.00 0.34 H new ATOM 0 HG SER A 658 -4.442 7.785 1.735 1.00 1.18 H new ATOM 1062 N ILE A 659 -1.979 6.231 3.032 1.00 0.18 N ATOM 1063 CA ILE A 659 -2.253 4.834 3.361 1.00 0.15 C ATOM 1064 C ILE A 659 -1.006 4.127 3.882 1.00 0.13 C ATOM 1065 O ILE A 659 0.110 4.424 3.460 1.00 0.13 O ATOM 1066 CB ILE A 659 -2.790 4.059 2.141 1.00 0.17 C ATOM 1067 CG1 ILE A 659 -3.882 4.868 1.437 1.00 0.20 C ATOM 1068 CG2 ILE A 659 -3.323 2.698 2.570 1.00 0.18 C ATOM 1069 CD1 ILE A 659 -4.447 4.187 0.209 1.00 0.27 C ATOM 0 H ILE A 659 -1.389 6.366 2.211 1.00 0.18 H new ATOM 0 HA ILE A 659 -3.013 4.846 4.142 1.00 0.15 H new ATOM 0 HB ILE A 659 -1.971 3.901 1.439 1.00 0.17 H new ATOM 0 HG12 ILE A 659 -4.692 5.058 2.141 1.00 0.20 H new ATOM 0 HG13 ILE A 659 -3.475 5.838 1.149 1.00 0.20 H new ATOM 0 HG21 ILE A 659 -3.699 2.163 1.698 1.00 0.18 H new ATOM 0 HG22 ILE A 659 -2.521 2.122 3.031 1.00 0.18 H new ATOM 0 HG23 ILE A 659 -4.132 2.834 3.288 1.00 0.18 H new ATOM 0 HD11 ILE A 659 -5.215 4.819 -0.237 1.00 0.27 H new ATOM 0 HD12 ILE A 659 -3.649 4.021 -0.515 1.00 0.27 H new ATOM 0 HD13 ILE A 659 -4.884 3.230 0.493 1.00 0.27 H new ATOM 1081 N ARG A 660 -1.211 3.186 4.800 1.00 0.17 N ATOM 1082 CA ARG A 660 -0.110 2.428 5.382 1.00 0.17 C ATOM 1083 C ARG A 660 -0.230 0.947 5.035 1.00 0.20 C ATOM 1084 O ARG A 660 -1.285 0.485 4.604 1.00 0.20 O ATOM 1085 CB ARG A 660 -0.079 2.602 6.904 1.00 0.19 C ATOM 1086 CG ARG A 660 -0.589 3.953 7.378 1.00 0.18 C ATOM 1087 CD ARG A 660 0.163 4.427 8.611 1.00 0.32 C ATOM 1088 NE ARG A 660 0.018 5.864 8.823 1.00 0.66 N ATOM 1089 CZ ARG A 660 0.705 6.549 9.734 1.00 1.09 C ATOM 1090 NH1 ARG A 660 1.582 5.928 10.513 1.00 1.74 N ATOM 1091 NH2 ARG A 660 0.516 7.854 9.866 1.00 1.43 N ATOM 0 H ARG A 660 -2.132 2.931 5.157 1.00 0.17 H new ATOM 0 HA ARG A 660 0.820 2.813 4.963 1.00 0.17 H new ATOM 0 HB2 ARG A 660 -0.680 1.816 7.362 1.00 0.19 H new ATOM 0 HB3 ARG A 660 0.944 2.467 7.255 1.00 0.19 H new ATOM 0 HG2 ARG A 660 -0.479 4.686 6.579 1.00 0.18 H new ATOM 0 HG3 ARG A 660 -1.653 3.884 7.603 1.00 0.18 H new ATOM 0 HD2 ARG A 660 -0.205 3.893 9.487 1.00 0.32 H new ATOM 0 HD3 ARG A 660 1.220 4.181 8.508 1.00 0.32 H new ATOM 0 HE ARG A 660 -0.647 6.372 8.240 1.00 0.66 H new ATOM 0 HH11 ARG A 660 1.731 4.924 10.414 1.00 1.74 H new ATOM 0 HH12 ARG A 660 2.107 6.455 11.211 1.00 1.74 H new ATOM 0 HH21 ARG A 660 -0.157 8.335 9.269 1.00 1.43 H new ATOM 0 HH22 ARG A 660 1.043 8.378 10.565 1.00 1.43 H new ATOM 1105 N CYS A 661 0.857 0.209 5.228 1.00 0.25 N ATOM 1106 CA CYS A 661 0.871 -1.221 4.939 1.00 0.29 C ATOM 1107 C CYS A 661 1.532 -1.992 6.076 1.00 0.33 C ATOM 1108 O CYS A 661 2.756 -2.119 6.120 1.00 0.36 O ATOM 1109 CB CYS A 661 1.620 -1.486 3.631 1.00 0.33 C ATOM 1110 SG CYS A 661 0.627 -2.292 2.355 1.00 1.57 S ATOM 0 H CYS A 661 1.740 0.576 5.583 1.00 0.25 H new ATOM 0 HA CYS A 661 -0.160 -1.561 4.838 1.00 0.29 H new ATOM 0 HB2 CYS A 661 1.992 -0.539 3.241 1.00 0.33 H new ATOM 0 HB3 CYS A 661 2.490 -2.107 3.844 1.00 0.33 H new ATOM 0 HG CYS A 661 1.350 -2.469 1.290 1.00 1.57 H new ATOM 1116 N GLY A 662 0.716 -2.507 6.992 1.00 0.36 N ATOM 1117 CA GLY A 662 1.244 -3.257 8.118 1.00 0.42 C ATOM 1118 C GLY A 662 1.894 -2.364 9.160 1.00 0.38 C ATOM 1119 O GLY A 662 1.863 -2.666 10.353 1.00 0.54 O ATOM 0 H GLY A 662 -0.300 -2.418 6.974 1.00 0.36 H new ATOM 0 HA2 GLY A 662 0.437 -3.824 8.583 1.00 0.42 H new ATOM 0 HA3 GLY A 662 1.975 -3.980 7.757 1.00 0.42 H new ATOM 1123 N GLY A 663 2.484 -1.262 8.706 1.00 0.34 N ATOM 1124 CA GLY A 663 3.138 -0.333 9.606 1.00 0.29 C ATOM 1125 C GLY A 663 3.673 0.884 8.877 1.00 0.23 C ATOM 1126 O GLY A 663 3.447 2.018 9.299 1.00 0.27 O ATOM 0 H GLY A 663 2.520 -0.996 7.722 1.00 0.34 H new ATOM 0 HA2 GLY A 663 2.433 -0.015 10.374 1.00 0.29 H new ATOM 0 HA3 GLY A 663 3.957 -0.839 10.116 1.00 0.29 H new ATOM 1130 N TYR A 664 4.379 0.646 7.774 1.00 0.20 N ATOM 1131 CA TYR A 664 4.942 1.729 6.977 1.00 0.17 C ATOM 1132 C TYR A 664 4.099 1.976 5.730 1.00 0.15 C ATOM 1133 O TYR A 664 3.618 1.035 5.098 1.00 0.17 O ATOM 1134 CB TYR A 664 6.384 1.404 6.580 1.00 0.22 C ATOM 1135 CG TYR A 664 7.247 0.970 7.744 1.00 0.31 C ATOM 1136 CD1 TYR A 664 7.300 -0.360 8.140 1.00 0.48 C ATOM 1137 CD2 TYR A 664 8.010 1.894 8.449 1.00 0.45 C ATOM 1138 CE1 TYR A 664 8.085 -0.759 9.204 1.00 0.61 C ATOM 1139 CE2 TYR A 664 8.799 1.503 9.515 1.00 0.59 C ATOM 1140 CZ TYR A 664 8.833 0.177 9.888 1.00 0.62 C ATOM 1141 OH TYR A 664 9.615 -0.216 10.950 1.00 0.78 O ATOM 0 H TYR A 664 4.574 -0.288 7.413 1.00 0.20 H new ATOM 0 HA TYR A 664 4.938 2.635 7.583 1.00 0.17 H new ATOM 0 HB2 TYR A 664 6.376 0.614 5.829 1.00 0.22 H new ATOM 0 HB3 TYR A 664 6.831 2.282 6.114 1.00 0.22 H new ATOM 0 HD1 TYR A 664 6.717 -1.096 7.606 1.00 0.48 H new ATOM 0 HD2 TYR A 664 7.986 2.934 8.159 1.00 0.45 H new ATOM 0 HE1 TYR A 664 8.113 -1.798 9.499 1.00 0.61 H new ATOM 0 HE2 TYR A 664 9.386 2.233 10.053 1.00 0.59 H new ATOM 0 HH TYR A 664 10.078 0.564 11.321 1.00 0.78 H new ATOM 1151 N THR A 665 3.922 3.247 5.385 1.00 0.14 N ATOM 1152 CA THR A 665 3.136 3.623 4.216 1.00 0.14 C ATOM 1153 C THR A 665 3.820 3.185 2.928 1.00 0.16 C ATOM 1154 O THR A 665 5.009 2.869 2.930 1.00 0.23 O ATOM 1155 CB THR A 665 2.906 5.146 4.168 1.00 0.16 C ATOM 1156 OG1 THR A 665 4.138 5.819 3.883 1.00 0.21 O ATOM 1157 CG2 THR A 665 2.340 5.651 5.487 1.00 0.26 C ATOM 0 H THR A 665 4.313 4.036 5.900 1.00 0.14 H new ATOM 0 HA THR A 665 2.175 3.116 4.302 1.00 0.14 H new ATOM 0 HB THR A 665 2.186 5.357 3.378 1.00 0.16 H new ATOM 0 HG1 THR A 665 4.028 6.379 3.086 1.00 0.21 H new ATOM 0 HG21 THR A 665 2.186 6.729 5.428 1.00 0.26 H new ATOM 0 HG22 THR A 665 1.388 5.159 5.687 1.00 0.26 H new ATOM 0 HG23 THR A 665 3.040 5.428 6.292 1.00 0.26 H new ATOM 1165 N LEU A 666 3.066 3.169 1.828 1.00 0.16 N ATOM 1166 CA LEU A 666 3.616 2.773 0.536 1.00 0.19 C ATOM 1167 C LEU A 666 4.824 3.630 0.190 1.00 0.21 C ATOM 1168 O LEU A 666 5.726 3.190 -0.517 1.00 0.24 O ATOM 1169 CB LEU A 666 2.561 2.886 -0.572 1.00 0.21 C ATOM 1170 CG LEU A 666 1.391 1.898 -0.481 1.00 0.20 C ATOM 1171 CD1 LEU A 666 1.868 0.514 -0.058 1.00 0.20 C ATOM 1172 CD2 LEU A 666 0.347 2.414 0.492 1.00 0.25 C ATOM 0 H LEU A 666 2.079 3.424 1.808 1.00 0.16 H new ATOM 0 HA LEU A 666 3.926 1.731 0.610 1.00 0.19 H new ATOM 0 HB2 LEU A 666 2.158 3.899 -0.563 1.00 0.21 H new ATOM 0 HB3 LEU A 666 3.055 2.748 -1.534 1.00 0.21 H new ATOM 0 HG LEU A 666 0.944 1.811 -1.471 1.00 0.20 H new ATOM 0 HD11 LEU A 666 1.016 -0.163 -0.003 1.00 0.20 H new ATOM 0 HD12 LEU A 666 2.584 0.137 -0.788 1.00 0.20 H new ATOM 0 HD13 LEU A 666 2.346 0.577 0.920 1.00 0.20 H new ATOM 0 HD21 LEU A 666 -0.479 1.705 0.549 1.00 0.25 H new ATOM 0 HD22 LEU A 666 0.795 2.529 1.479 1.00 0.25 H new ATOM 0 HD23 LEU A 666 -0.026 3.379 0.148 1.00 0.25 H new ATOM 1184 N LYS A 667 4.839 4.856 0.707 1.00 0.20 N ATOM 1185 CA LYS A 667 5.948 5.771 0.466 1.00 0.23 C ATOM 1186 C LYS A 667 7.238 5.173 1.013 1.00 0.24 C ATOM 1187 O LYS A 667 8.280 5.189 0.355 1.00 0.29 O ATOM 1188 CB LYS A 667 5.675 7.120 1.132 1.00 0.25 C ATOM 1189 CG LYS A 667 6.385 8.286 0.464 1.00 0.42 C ATOM 1190 CD LYS A 667 7.177 9.104 1.471 1.00 1.05 C ATOM 1191 CE LYS A 667 8.671 9.017 1.205 1.00 1.68 C ATOM 1192 NZ LYS A 667 9.136 10.088 0.282 1.00 2.05 N ATOM 0 H LYS A 667 4.097 5.237 1.294 1.00 0.20 H new ATOM 0 HA LYS A 667 6.052 5.925 -0.608 1.00 0.23 H new ATOM 0 HB2 LYS A 667 4.601 7.308 1.125 1.00 0.25 H new ATOM 0 HB3 LYS A 667 5.983 7.069 2.176 1.00 0.25 H new ATOM 0 HG2 LYS A 667 7.055 7.911 -0.310 1.00 0.42 H new ATOM 0 HG3 LYS A 667 5.653 8.925 -0.030 1.00 0.42 H new ATOM 0 HD2 LYS A 667 6.858 10.145 1.427 1.00 1.05 H new ATOM 0 HD3 LYS A 667 6.964 8.748 2.479 1.00 1.05 H new ATOM 0 HE2 LYS A 667 9.212 9.091 2.148 1.00 1.68 H new ATOM 0 HE3 LYS A 667 8.907 8.042 0.778 1.00 1.68 H new ATOM 0 HZ1 LYS A 667 10.160 9.992 0.127 1.00 2.05 H new ATOM 0 HZ2 LYS A 667 8.639 10.002 -0.627 1.00 2.05 H new ATOM 0 HZ3 LYS A 667 8.935 11.019 0.700 1.00 2.05 H new ATOM 1206 N VAL A 668 7.151 4.630 2.221 1.00 0.25 N ATOM 1207 CA VAL A 668 8.297 4.008 2.866 1.00 0.30 C ATOM 1208 C VAL A 668 8.557 2.625 2.278 1.00 0.30 C ATOM 1209 O VAL A 668 9.705 2.213 2.121 1.00 0.38 O ATOM 1210 CB VAL A 668 8.091 3.881 4.389 1.00 0.34 C ATOM 1211 CG1 VAL A 668 9.274 3.177 5.036 1.00 0.44 C ATOM 1212 CG2 VAL A 668 7.871 5.250 5.015 1.00 0.47 C ATOM 0 H VAL A 668 6.294 4.609 2.774 1.00 0.25 H new ATOM 0 HA VAL A 668 9.158 4.652 2.684 1.00 0.30 H new ATOM 0 HB VAL A 668 7.200 3.278 4.564 1.00 0.34 H new ATOM 0 HG11 VAL A 668 9.107 3.098 6.110 1.00 0.44 H new ATOM 0 HG12 VAL A 668 9.380 2.179 4.611 1.00 0.44 H new ATOM 0 HG13 VAL A 668 10.183 3.749 4.851 1.00 0.44 H new ATOM 0 HG21 VAL A 668 7.728 5.140 6.090 1.00 0.47 H new ATOM 0 HG22 VAL A 668 8.741 5.880 4.828 1.00 0.47 H new ATOM 0 HG23 VAL A 668 6.987 5.713 4.577 1.00 0.47 H new ATOM 1222 N LEU A 669 7.479 1.914 1.951 1.00 0.26 N ATOM 1223 CA LEU A 669 7.590 0.578 1.378 1.00 0.32 C ATOM 1224 C LEU A 669 8.204 0.640 -0.014 1.00 0.38 C ATOM 1225 O LEU A 669 8.887 -0.290 -0.443 1.00 0.47 O ATOM 1226 CB LEU A 669 6.213 -0.085 1.313 1.00 0.36 C ATOM 1227 CG LEU A 669 5.998 -1.235 2.298 1.00 0.34 C ATOM 1228 CD1 LEU A 669 5.940 -0.713 3.726 1.00 0.36 C ATOM 1229 CD2 LEU A 669 4.726 -1.994 1.955 1.00 0.38 C ATOM 0 H LEU A 669 6.521 2.242 2.074 1.00 0.26 H new ATOM 0 HA LEU A 669 8.241 -0.017 2.018 1.00 0.32 H new ATOM 0 HB2 LEU A 669 5.453 0.675 1.494 1.00 0.36 H new ATOM 0 HB3 LEU A 669 6.055 -0.459 0.302 1.00 0.36 H new ATOM 0 HG LEU A 669 6.842 -1.920 2.219 1.00 0.34 H new ATOM 0 HD11 LEU A 669 5.787 -1.546 4.412 1.00 0.36 H new ATOM 0 HD12 LEU A 669 6.877 -0.211 3.968 1.00 0.36 H new ATOM 0 HD13 LEU A 669 5.115 -0.007 3.822 1.00 0.36 H new ATOM 0 HD21 LEU A 669 4.586 -2.809 2.665 1.00 0.38 H new ATOM 0 HD22 LEU A 669 3.873 -1.317 2.007 1.00 0.38 H new ATOM 0 HD23 LEU A 669 4.805 -2.400 0.947 1.00 0.38 H new ATOM 1241 N MET A 670 7.970 1.749 -0.708 1.00 0.36 N ATOM 1242 CA MET A 670 8.518 1.935 -2.046 1.00 0.44 C ATOM 1243 C MET A 670 9.964 2.408 -1.952 1.00 0.47 C ATOM 1244 O MET A 670 10.696 2.421 -2.941 1.00 0.55 O ATOM 1245 CB MET A 670 7.677 2.937 -2.842 1.00 0.48 C ATOM 1246 CG MET A 670 7.944 4.390 -2.487 1.00 0.45 C ATOM 1247 SD MET A 670 7.665 5.508 -3.876 1.00 0.71 S ATOM 1248 CE MET A 670 5.928 5.217 -4.201 1.00 0.70 C ATOM 0 H MET A 670 7.407 2.529 -0.368 1.00 0.36 H new ATOM 0 HA MET A 670 8.491 0.980 -2.571 1.00 0.44 H new ATOM 0 HB2 MET A 670 7.869 2.793 -3.905 1.00 0.48 H new ATOM 0 HB3 MET A 670 6.621 2.722 -2.677 1.00 0.48 H new ATOM 0 HG2 MET A 670 7.301 4.681 -1.657 1.00 0.45 H new ATOM 0 HG3 MET A 670 8.974 4.493 -2.144 1.00 0.45 H new ATOM 0 HE1 MET A 670 5.575 5.925 -4.951 1.00 0.70 H new ATOM 0 HE2 MET A 670 5.792 4.200 -4.569 1.00 0.70 H new ATOM 0 HE3 MET A 670 5.359 5.349 -3.281 1.00 0.70 H new ATOM 1258 N GLU A 671 10.361 2.787 -0.741 1.00 0.42 N ATOM 1259 CA GLU A 671 11.714 3.256 -0.482 1.00 0.47 C ATOM 1260 C GLU A 671 12.550 2.152 0.164 1.00 0.51 C ATOM 1261 O GLU A 671 13.779 2.164 0.086 1.00 0.59 O ATOM 1262 CB GLU A 671 11.682 4.490 0.424 1.00 0.45 C ATOM 1263 CG GLU A 671 13.054 5.078 0.709 1.00 0.88 C ATOM 1264 CD GLU A 671 13.233 5.457 2.167 1.00 1.56 C ATOM 1265 OE1 GLU A 671 13.649 4.586 2.960 1.00 2.39 O ATOM 1266 OE2 GLU A 671 12.954 6.624 2.514 1.00 1.90 O ATOM 0 H GLU A 671 9.758 2.777 0.081 1.00 0.42 H new ATOM 0 HA GLU A 671 12.173 3.528 -1.433 1.00 0.47 H new ATOM 0 HB2 GLU A 671 11.059 5.254 -0.041 1.00 0.45 H new ATOM 0 HB3 GLU A 671 11.208 4.223 1.369 1.00 0.45 H new ATOM 0 HG2 GLU A 671 13.821 4.356 0.428 1.00 0.88 H new ATOM 0 HG3 GLU A 671 13.204 5.960 0.087 1.00 0.88 H new ATOM 1273 N ASN A 672 11.873 1.198 0.802 1.00 0.47 N ATOM 1274 CA ASN A 672 12.551 0.091 1.461 1.00 0.53 C ATOM 1275 C ASN A 672 13.023 -0.935 0.439 1.00 0.60 C ATOM 1276 O ASN A 672 14.213 -1.011 0.130 1.00 0.72 O ATOM 1277 CB ASN A 672 11.617 -0.579 2.476 1.00 0.50 C ATOM 1278 CG ASN A 672 11.289 0.319 3.653 1.00 0.82 C ATOM 1279 OD1 ASN A 672 11.926 1.352 3.859 1.00 1.54 O ATOM 1280 ND2 ASN A 672 10.288 -0.076 4.434 1.00 0.62 N ATOM 0 H ASN A 672 10.856 1.173 0.874 1.00 0.47 H new ATOM 0 HA ASN A 672 13.420 0.489 1.985 1.00 0.53 H new ATOM 0 HB2 ASN A 672 10.692 -0.868 1.977 1.00 0.50 H new ATOM 0 HB3 ASN A 672 12.082 -1.495 2.842 1.00 0.50 H new ATOM 0 HD21 ASN A 672 10.020 0.485 5.243 1.00 0.62 H new ATOM 0 HD22 ASN A 672 9.788 -0.940 4.224 1.00 0.62 H new ATOM 1287 N LYS A 673 12.073 -1.714 -0.081 1.00 0.59 N ATOM 1288 CA LYS A 673 12.363 -2.750 -1.078 1.00 0.69 C ATOM 1289 C LYS A 673 11.159 -3.666 -1.282 1.00 0.68 C ATOM 1290 O LYS A 673 11.314 -4.850 -1.581 1.00 0.95 O ATOM 1291 CB LYS A 673 13.570 -3.592 -0.651 1.00 0.87 C ATOM 1292 CG LYS A 673 13.448 -4.170 0.750 1.00 0.94 C ATOM 1293 CD LYS A 673 14.738 -4.847 1.185 1.00 1.46 C ATOM 1294 CE LYS A 673 15.175 -4.379 2.562 1.00 1.87 C ATOM 1295 NZ LYS A 673 16.486 -4.964 2.956 1.00 2.62 N ATOM 0 H LYS A 673 11.088 -1.647 0.174 1.00 0.59 H new ATOM 0 HA LYS A 673 12.589 -2.245 -2.017 1.00 0.69 H new ATOM 0 HB2 LYS A 673 13.701 -4.409 -1.361 1.00 0.87 H new ATOM 0 HB3 LYS A 673 14.468 -2.976 -0.703 1.00 0.87 H new ATOM 0 HG2 LYS A 673 13.198 -3.375 1.453 1.00 0.94 H new ATOM 0 HG3 LYS A 673 12.630 -4.890 0.778 1.00 0.94 H new ATOM 0 HD2 LYS A 673 14.598 -5.928 1.194 1.00 1.46 H new ATOM 0 HD3 LYS A 673 15.524 -4.634 0.461 1.00 1.46 H new ATOM 0 HE2 LYS A 673 15.245 -3.291 2.571 1.00 1.87 H new ATOM 0 HE3 LYS A 673 14.419 -4.655 3.297 1.00 1.87 H new ATOM 0 HZ1 LYS A 673 16.749 -4.620 3.902 1.00 2.62 H new ATOM 0 HZ2 LYS A 673 16.412 -6.001 2.973 1.00 2.62 H new ATOM 0 HZ3 LYS A 673 17.213 -4.680 2.269 1.00 2.62 H new