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+ 169:sc= 0 (180deg=0) USER MOD Set 1.2: A 670 MET CE :methyl 154:sc= -0.132 (180deg=-0.661) USER MOD Set 2.1: A 609 CYS SG : rot 57:sc= -4.51! USER MOD Set 2.2: A 658 SER OG : rot -90:sc= -2.62! USER MOD Set 3.1: A 599 ASN : amide:sc= -1.75 K(o=-2.9,f=-1.6!) USER MOD Set 3.2: A 602 GLN : amide:sc= -1.19 K(o=-2.9,f=-1.6) USER MOD Single : A 601 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 603 SER OG : rot 180:sc= 0 USER MOD Single : A 608 THR OG1 : rot 56:sc= -1.8! USER MOD Single : A 613 LYS NZ :NH3+ -135:sc= 0.233 (180deg=-0.158) USER MOD Single : A 615 THR OG1 : rot 180:sc= 0 USER MOD Single : A 617 TYR OH : rot 180:sc= 0 USER MOD Single : A 618 LYS NZ :NH3+ -179:sc= -2.65 (180deg=-2.69) USER MOD Single : A 622 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 623 GLN : amide:sc= -4.84! C(o=-4.8!,f=-2.7!) USER MOD Single : A 625 THR OG1 : rot -35:sc= 0.733 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+ -171:sc= -0.696 (180deg=-1.44!) USER MOD Single : A 629 CYS SG : rot 180:sc= 0.111 USER MOD Single : A 631 GLN : amide:sc= 0 X(o=0,f=-0.0077) USER MOD Single : A 632 SER OG : rot -162:sc= 0.292 USER MOD Single : A 636 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 639 THR OG1 : rot 180:sc= 0.0146 USER MOD Single : A 652 SER OG : rot 170:sc= 0 USER MOD Single : A 653 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.0898) USER MOD Single : A 654 ASN : amide:sc= -0.287 K(o=-0.29,f=-1.8!) USER MOD Single : A 661 CYS SG : rot -50:sc= -1.42 USER MOD Single : A 664 TYR OH : rot 180:sc= 0 USER MOD Single : A 665 THR OG1 : rot 115:sc= -1.36 USER MOD Single : A 667 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 672 ASN : amide:sc= -0.652 X(o=-0.65,f=-0.82) USER MOD Single : A 673 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 61 N ILE A 598 7.150 -6.097 7.402 1.00 0.87 N ATOM 62 CA ILE A 598 6.000 -6.628 6.680 1.00 0.64 C ATOM 63 C ILE A 598 6.436 -7.311 5.387 1.00 0.66 C ATOM 64 O ILE A 598 6.839 -6.653 4.428 1.00 0.79 O ATOM 65 CB ILE A 598 4.975 -5.522 6.355 1.00 0.49 C ATOM 66 CG1 ILE A 598 4.739 -4.633 7.581 1.00 0.69 C ATOM 67 CG2 ILE A 598 3.667 -6.134 5.879 1.00 0.35 C ATOM 68 CD1 ILE A 598 4.386 -5.406 8.835 1.00 0.83 C ATOM 0 HA ILE A 598 5.525 -7.362 7.332 1.00 0.64 H new ATOM 0 HB ILE A 598 5.377 -4.902 5.553 1.00 0.49 H new ATOM 0 HG12 ILE A 598 5.636 -4.043 7.769 1.00 0.69 H new ATOM 0 HG13 ILE A 598 3.936 -3.930 7.360 1.00 0.69 H new ATOM 0 HG21 ILE A 598 2.955 -5.340 5.654 1.00 0.35 H new ATOM 0 HG22 ILE A 598 3.847 -6.725 4.981 1.00 0.35 H new ATOM 0 HG23 ILE A 598 3.260 -6.776 6.660 1.00 0.35 H new ATOM 0 HD11 ILE A 598 4.234 -4.711 9.660 1.00 0.83 H new ATOM 0 HD12 ILE A 598 3.472 -5.975 8.666 1.00 0.83 H new ATOM 0 HD13 ILE A 598 5.198 -6.090 9.082 1.00 0.83 H new ATOM 80 N ASN A 599 6.351 -8.640 5.372 1.00 0.73 N ATOM 81 CA ASN A 599 6.735 -9.422 4.202 1.00 0.83 C ATOM 82 C ASN A 599 5.585 -9.503 3.206 1.00 0.95 C ATOM 83 O ASN A 599 4.509 -10.011 3.524 1.00 1.52 O ATOM 84 CB ASN A 599 7.169 -10.833 4.614 1.00 0.98 C ATOM 85 CG ASN A 599 6.793 -11.168 6.045 1.00 1.45 C ATOM 86 OD1 ASN A 599 7.331 -10.592 6.992 1.00 2.10 O ATOM 87 ND2 ASN A 599 5.868 -12.106 6.210 1.00 2.19 N ATOM 0 H ASN A 599 6.019 -9.197 6.159 1.00 0.73 H new ATOM 0 HA ASN A 599 7.577 -8.921 3.724 1.00 0.83 H new ATOM 0 HB2 ASN A 599 6.711 -11.560 3.943 1.00 0.98 H new ATOM 0 HB3 ASN A 599 8.249 -10.926 4.495 1.00 0.98 H new ATOM 0 HD21 ASN A 599 5.577 -12.375 7.150 1.00 2.19 H new ATOM 0 HD22 ASN A 599 5.449 -12.557 5.397 1.00 2.19 H new ATOM 94 N PHE A 600 5.818 -8.996 2.000 1.00 0.69 N ATOM 95 CA PHE A 600 4.802 -9.003 0.956 1.00 0.82 C ATOM 96 C PHE A 600 4.837 -10.306 0.162 1.00 0.89 C ATOM 97 O PHE A 600 4.039 -10.509 -0.752 1.00 1.04 O ATOM 98 CB PHE A 600 4.997 -7.807 0.021 1.00 0.93 C ATOM 99 CG PHE A 600 6.170 -7.947 -0.910 1.00 1.05 C ATOM 100 CD1 PHE A 600 7.457 -7.694 -0.465 1.00 1.38 C ATOM 101 CD2 PHE A 600 5.983 -8.331 -2.228 1.00 1.21 C ATOM 102 CE1 PHE A 600 8.537 -7.823 -1.318 1.00 1.92 C ATOM 103 CE2 PHE A 600 7.060 -8.461 -3.085 1.00 1.63 C ATOM 104 CZ PHE A 600 8.337 -8.202 -2.631 1.00 2.02 C ATOM 0 H PHE A 600 6.704 -8.574 1.722 1.00 0.69 H new ATOM 0 HA PHE A 600 3.825 -8.925 1.434 1.00 0.82 H new ATOM 0 HB2 PHE A 600 4.091 -7.668 -0.570 1.00 0.93 H new ATOM 0 HB3 PHE A 600 5.127 -6.906 0.621 1.00 0.93 H new ATOM 0 HD1 PHE A 600 7.618 -7.393 0.559 1.00 1.38 H new ATOM 0 HD2 PHE A 600 4.985 -8.531 -2.590 1.00 1.21 H new ATOM 0 HE1 PHE A 600 9.536 -7.628 -0.958 1.00 1.92 H new ATOM 0 HE2 PHE A 600 6.902 -8.765 -4.109 1.00 1.63 H new ATOM 0 HZ PHE A 600 9.179 -8.295 -3.301 1.00 2.02 H new ATOM 114 N LYS A 601 5.771 -11.184 0.513 1.00 0.87 N ATOM 115 CA LYS A 601 5.911 -12.463 -0.170 1.00 1.02 C ATOM 116 C LYS A 601 4.718 -13.377 0.105 1.00 0.99 C ATOM 117 O LYS A 601 4.655 -14.497 -0.403 1.00 1.13 O ATOM 118 CB LYS A 601 7.205 -13.152 0.254 1.00 1.16 C ATOM 119 CG LYS A 601 8.318 -13.023 -0.773 1.00 1.16 C ATOM 120 CD LYS A 601 7.941 -13.682 -2.093 1.00 1.78 C ATOM 121 CE LYS A 601 7.590 -12.650 -3.152 1.00 2.40 C ATOM 122 NZ LYS A 601 7.558 -13.243 -4.517 1.00 3.20 N ATOM 0 H LYS A 601 6.442 -11.032 1.266 1.00 0.87 H new ATOM 0 HA LYS A 601 5.945 -12.265 -1.241 1.00 1.02 H new ATOM 0 HB2 LYS A 601 7.542 -12.728 1.200 1.00 1.16 H new ATOM 0 HB3 LYS A 601 7.005 -14.209 0.432 1.00 1.16 H new ATOM 0 HG2 LYS A 601 8.538 -11.969 -0.942 1.00 1.16 H new ATOM 0 HG3 LYS A 601 9.228 -13.480 -0.384 1.00 1.16 H new ATOM 0 HD2 LYS A 601 8.770 -14.297 -2.444 1.00 1.78 H new ATOM 0 HD3 LYS A 601 7.093 -14.349 -1.938 1.00 1.78 H new ATOM 0 HE2 LYS A 601 6.618 -12.212 -2.924 1.00 2.40 H new ATOM 0 HE3 LYS A 601 8.319 -11.840 -3.125 1.00 2.40 H new ATOM 0 HZ1 LYS A 601 7.315 -12.506 -5.210 1.00 3.20 H new ATOM 0 HZ2 LYS A 601 8.492 -13.639 -4.746 1.00 3.20 H new ATOM 0 HZ3 LYS A 601 6.844 -13.999 -4.551 1.00 3.20 H new ATOM 136 N GLN A 602 3.773 -12.893 0.905 1.00 0.85 N ATOM 137 CA GLN A 602 2.583 -13.670 1.236 1.00 0.89 C ATOM 138 C GLN A 602 1.522 -13.515 0.150 1.00 0.98 C ATOM 139 O GLN A 602 1.836 -13.169 -0.988 1.00 1.98 O ATOM 140 CB GLN A 602 2.017 -13.231 2.591 1.00 0.87 C ATOM 141 CG GLN A 602 3.078 -12.758 3.572 1.00 0.78 C ATOM 142 CD GLN A 602 4.051 -13.856 3.954 1.00 0.99 C ATOM 143 OE1 GLN A 602 3.703 -14.785 4.684 1.00 1.25 O ATOM 144 NE2 GLN A 602 5.280 -13.756 3.460 1.00 1.15 N ATOM 0 H GLN A 602 3.808 -11.969 1.335 1.00 0.85 H new ATOM 0 HA GLN A 602 2.867 -14.720 1.298 1.00 0.89 H new ATOM 0 HB2 GLN A 602 1.298 -12.427 2.431 1.00 0.87 H new ATOM 0 HB3 GLN A 602 1.471 -14.064 3.034 1.00 0.87 H new ATOM 0 HG2 GLN A 602 3.629 -11.926 3.132 1.00 0.78 H new ATOM 0 HG3 GLN A 602 2.593 -12.379 4.471 1.00 0.78 H new ATOM 0 HE21 GLN A 602 5.526 -12.969 2.859 1.00 1.15 H new ATOM 0 HE22 GLN A 602 5.978 -14.466 3.682 1.00 1.15 H new ATOM 153 N SER A 603 0.266 -13.770 0.508 1.00 0.46 N ATOM 154 CA SER A 603 -0.837 -13.655 -0.441 1.00 0.46 C ATOM 155 C SER A 603 -1.694 -12.432 -0.130 1.00 0.42 C ATOM 156 O SER A 603 -2.349 -11.880 -1.015 1.00 0.55 O ATOM 157 CB SER A 603 -1.701 -14.916 -0.411 1.00 0.52 C ATOM 158 OG SER A 603 -1.206 -15.895 -1.309 1.00 1.06 O ATOM 0 H SER A 603 -0.013 -14.057 1.446 1.00 0.46 H new ATOM 0 HA SER A 603 -0.413 -13.539 -1.438 1.00 0.46 H new ATOM 0 HB2 SER A 603 -1.721 -15.323 0.600 1.00 0.52 H new ATOM 0 HB3 SER A 603 -2.728 -14.663 -0.674 1.00 0.52 H new ATOM 0 HG SER A 603 -1.775 -16.692 -1.270 1.00 1.06 H new ATOM 164 N GLU A 604 -1.688 -12.016 1.132 1.00 0.31 N ATOM 165 CA GLU A 604 -2.468 -10.860 1.562 1.00 0.30 C ATOM 166 C GLU A 604 -1.668 -9.989 2.526 1.00 0.27 C ATOM 167 O GLU A 604 -1.111 -10.482 3.507 1.00 0.38 O ATOM 168 CB GLU A 604 -3.769 -11.318 2.227 1.00 0.35 C ATOM 169 CG GLU A 604 -4.677 -12.115 1.304 1.00 0.51 C ATOM 170 CD GLU A 604 -5.867 -12.714 2.030 1.00 0.82 C ATOM 171 OE1 GLU A 604 -6.819 -11.965 2.330 1.00 1.48 O ATOM 172 OE2 GLU A 604 -5.845 -13.934 2.298 1.00 1.26 O ATOM 0 H GLU A 604 -1.151 -12.462 1.876 1.00 0.31 H new ATOM 0 HA GLU A 604 -2.707 -10.265 0.680 1.00 0.30 H new ATOM 0 HB2 GLU A 604 -3.527 -11.926 3.099 1.00 0.35 H new ATOM 0 HB3 GLU A 604 -4.310 -10.443 2.589 1.00 0.35 H new ATOM 0 HG2 GLU A 604 -5.033 -11.467 0.503 1.00 0.51 H new ATOM 0 HG3 GLU A 604 -4.102 -12.914 0.836 1.00 0.51 H new ATOM 179 N LEU A 605 -1.617 -8.691 2.239 1.00 0.20 N ATOM 180 CA LEU A 605 -0.888 -7.749 3.082 1.00 0.22 C ATOM 181 C LEU A 605 -1.849 -6.765 3.748 1.00 0.19 C ATOM 182 O LEU A 605 -2.723 -6.202 3.091 1.00 0.24 O ATOM 183 CB LEU A 605 0.152 -6.987 2.255 1.00 0.27 C ATOM 184 CG LEU A 605 1.456 -6.672 2.989 1.00 0.38 C ATOM 185 CD1 LEU A 605 2.226 -7.950 3.284 1.00 1.26 C ATOM 186 CD2 LEU A 605 2.309 -5.712 2.175 1.00 1.04 C ATOM 0 H LEU A 605 -2.072 -8.268 1.430 1.00 0.20 H new ATOM 0 HA LEU A 605 -0.375 -8.315 3.860 1.00 0.22 H new ATOM 0 HB2 LEU A 605 0.386 -7.571 1.365 1.00 0.27 H new ATOM 0 HB3 LEU A 605 -0.291 -6.051 1.915 1.00 0.27 H new ATOM 0 HG LEU A 605 1.209 -6.193 3.937 1.00 0.38 H new ATOM 0 HD11 LEU A 605 3.151 -7.705 3.807 1.00 1.26 H new ATOM 0 HD12 LEU A 605 1.619 -8.605 3.909 1.00 1.26 H new ATOM 0 HD13 LEU A 605 2.461 -8.457 2.348 1.00 1.26 H new ATOM 0 HD21 LEU A 605 3.233 -5.500 2.714 1.00 1.04 H new ATOM 0 HD22 LEU A 605 2.546 -6.163 1.212 1.00 1.04 H new ATOM 0 HD23 LEU A 605 1.761 -4.784 2.015 1.00 1.04 H new ATOM 198 N PRO A 606 -1.704 -6.547 5.067 1.00 0.21 N ATOM 199 CA PRO A 606 -2.572 -5.630 5.813 1.00 0.21 C ATOM 200 C PRO A 606 -2.319 -4.167 5.462 1.00 0.20 C ATOM 201 O PRO A 606 -1.175 -3.752 5.275 1.00 0.34 O ATOM 202 CB PRO A 606 -2.202 -5.900 7.274 1.00 0.28 C ATOM 203 CG PRO A 606 -0.804 -6.409 7.222 1.00 0.44 C ATOM 204 CD PRO A 606 -0.689 -7.176 5.934 1.00 0.33 C ATOM 0 HA PRO A 606 -3.625 -5.796 5.586 1.00 0.21 H new ATOM 0 HB2 PRO A 606 -2.271 -4.993 7.874 1.00 0.28 H new ATOM 0 HB3 PRO A 606 -2.873 -6.632 7.724 1.00 0.28 H new ATOM 0 HG2 PRO A 606 -0.088 -5.587 7.252 1.00 0.44 H new ATOM 0 HG3 PRO A 606 -0.590 -7.049 8.078 1.00 0.44 H new ATOM 0 HD2 PRO A 606 0.310 -7.095 5.506 1.00 0.33 H new ATOM 0 HD3 PRO A 606 -0.888 -8.238 6.080 1.00 0.33 H new ATOM 212 N VAL A 607 -3.396 -3.391 5.380 1.00 0.14 N ATOM 213 CA VAL A 607 -3.298 -1.971 5.059 1.00 0.13 C ATOM 214 C VAL A 607 -4.171 -1.148 5.997 1.00 0.10 C ATOM 215 O VAL A 607 -5.194 -1.628 6.485 1.00 0.11 O ATOM 216 CB VAL A 607 -3.716 -1.686 3.602 1.00 0.18 C ATOM 217 CG1 VAL A 607 -2.509 -1.738 2.679 1.00 0.37 C ATOM 218 CG2 VAL A 607 -4.785 -2.667 3.147 1.00 0.31 C ATOM 0 H VAL A 607 -4.349 -3.723 5.532 1.00 0.14 H new ATOM 0 HA VAL A 607 -2.253 -1.687 5.184 1.00 0.13 H new ATOM 0 HB VAL A 607 -4.137 -0.681 3.557 1.00 0.18 H new ATOM 0 HG11 VAL A 607 -2.824 -1.534 1.656 1.00 0.37 H new ATOM 0 HG12 VAL A 607 -1.781 -0.989 2.990 1.00 0.37 H new ATOM 0 HG13 VAL A 607 -2.055 -2.728 2.729 1.00 0.37 H new ATOM 0 HG21 VAL A 607 -5.065 -2.448 2.117 1.00 0.31 H new ATOM 0 HG22 VAL A 607 -4.396 -3.683 3.209 1.00 0.31 H new ATOM 0 HG23 VAL A 607 -5.661 -2.574 3.789 1.00 0.31 H new ATOM 228 N THR A 608 -3.760 0.091 6.252 1.00 0.11 N ATOM 229 CA THR A 608 -4.509 0.973 7.142 1.00 0.12 C ATOM 230 C THR A 608 -4.477 2.416 6.657 1.00 0.11 C ATOM 231 O THR A 608 -3.447 3.079 6.731 1.00 0.16 O ATOM 232 CB THR A 608 -3.957 0.932 8.578 1.00 0.16 C ATOM 233 OG1 THR A 608 -2.580 1.325 8.585 1.00 0.30 O ATOM 234 CG2 THR A 608 -4.096 -0.457 9.179 1.00 0.34 C ATOM 0 H THR A 608 -2.916 0.506 5.857 1.00 0.11 H new ATOM 0 HA THR A 608 -5.536 0.608 7.136 1.00 0.12 H new ATOM 0 HB THR A 608 -4.538 1.628 9.183 1.00 0.16 H new ATOM 0 HG1 THR A 608 -2.489 2.207 8.167 1.00 0.30 H new ATOM 0 HG21 THR A 608 -3.698 -0.456 10.194 1.00 0.34 H new ATOM 0 HG22 THR A 608 -5.148 -0.740 9.202 1.00 0.34 H new ATOM 0 HG23 THR A 608 -3.542 -1.173 8.572 1.00 0.34 H new ATOM 242 N CYS A 609 -5.611 2.904 6.172 1.00 0.15 N ATOM 243 CA CYS A 609 -5.699 4.276 5.685 1.00 0.17 C ATOM 244 C CYS A 609 -6.667 5.097 6.530 1.00 0.17 C ATOM 245 O CYS A 609 -7.881 4.978 6.389 1.00 0.18 O ATOM 246 CB CYS A 609 -6.145 4.289 4.228 1.00 0.20 C ATOM 247 SG CYS A 609 -6.474 5.940 3.570 1.00 0.67 S ATOM 0 H CYS A 609 -6.480 2.374 6.105 1.00 0.15 H new ATOM 0 HA CYS A 609 -4.709 4.725 5.763 1.00 0.17 H new ATOM 0 HB2 CYS A 609 -5.375 3.814 3.620 1.00 0.20 H new ATOM 0 HB3 CYS A 609 -7.047 3.684 4.130 1.00 0.20 H new ATOM 0 HG CYS A 609 -5.417 6.683 3.714 1.00 0.67 H new ATOM 253 N GLY A 610 -6.119 5.936 7.398 1.00 0.21 N ATOM 254 CA GLY A 610 -6.946 6.770 8.250 1.00 0.23 C ATOM 255 C GLY A 610 -7.926 5.963 9.076 1.00 0.22 C ATOM 256 O GLY A 610 -9.138 6.159 8.976 1.00 0.23 O ATOM 0 H GLY A 610 -5.114 6.055 7.528 1.00 0.21 H new ATOM 0 HA2 GLY A 610 -6.307 7.351 8.915 1.00 0.23 H new ATOM 0 HA3 GLY A 610 -7.495 7.482 7.634 1.00 0.23 H new ATOM 260 N GLU A 611 -7.397 5.045 9.889 1.00 0.25 N ATOM 261 CA GLU A 611 -8.225 4.191 10.741 1.00 0.31 C ATOM 262 C GLU A 611 -9.039 3.209 9.905 1.00 0.28 C ATOM 263 O GLU A 611 -9.806 2.409 10.441 1.00 0.35 O ATOM 264 CB GLU A 611 -9.162 5.036 11.606 1.00 0.37 C ATOM 265 CG GLU A 611 -8.444 6.089 12.432 1.00 1.46 C ATOM 266 CD GLU A 611 -8.390 5.738 13.906 1.00 2.00 C ATOM 267 OE1 GLU A 611 -8.120 4.561 14.227 1.00 2.48 O ATOM 268 OE2 GLU A 611 -8.618 6.639 14.741 1.00 2.54 O ATOM 0 H GLU A 611 -6.395 4.875 9.974 1.00 0.25 H new ATOM 0 HA GLU A 611 -7.558 3.625 11.391 1.00 0.31 H new ATOM 0 HB2 GLU A 611 -9.892 5.527 10.963 1.00 0.37 H new ATOM 0 HB3 GLU A 611 -9.717 4.378 12.275 1.00 0.37 H new ATOM 0 HG2 GLU A 611 -7.429 6.212 12.054 1.00 1.46 H new ATOM 0 HG3 GLU A 611 -8.948 7.048 12.309 1.00 1.46 H new ATOM 275 N VAL A 612 -8.872 3.285 8.591 1.00 0.20 N ATOM 276 CA VAL A 612 -9.598 2.412 7.674 1.00 0.22 C ATOM 277 C VAL A 612 -8.724 1.252 7.203 1.00 0.21 C ATOM 278 O VAL A 612 -8.003 1.368 6.213 1.00 0.30 O ATOM 279 CB VAL A 612 -10.104 3.199 6.451 1.00 0.22 C ATOM 280 CG1 VAL A 612 -10.832 2.286 5.476 1.00 0.27 C ATOM 281 CG2 VAL A 612 -11.003 4.345 6.892 1.00 0.25 C ATOM 0 H VAL A 612 -8.240 3.943 8.135 1.00 0.20 H new ATOM 0 HA VAL A 612 -10.451 2.010 8.220 1.00 0.22 H new ATOM 0 HB VAL A 612 -9.240 3.617 5.934 1.00 0.22 H new ATOM 0 HG11 VAL A 612 -11.179 2.868 4.622 1.00 0.27 H new ATOM 0 HG12 VAL A 612 -10.153 1.506 5.132 1.00 0.27 H new ATOM 0 HG13 VAL A 612 -11.687 1.829 5.975 1.00 0.27 H new ATOM 0 HG21 VAL A 612 -11.352 4.891 6.016 1.00 0.25 H new ATOM 0 HG22 VAL A 612 -11.859 3.947 7.437 1.00 0.25 H new ATOM 0 HG23 VAL A 612 -10.442 5.019 7.540 1.00 0.25 H new ATOM 291 N LYS A 613 -8.792 0.135 7.921 1.00 0.15 N ATOM 292 CA LYS A 613 -8.004 -1.045 7.581 1.00 0.14 C ATOM 293 C LYS A 613 -8.495 -1.691 6.291 1.00 0.15 C ATOM 294 O LYS A 613 -9.477 -1.250 5.694 1.00 0.25 O ATOM 295 CB LYS A 613 -8.055 -2.063 8.721 1.00 0.16 C ATOM 296 CG LYS A 613 -6.691 -2.613 9.099 1.00 0.35 C ATOM 297 CD LYS A 613 -6.685 -4.132 9.126 1.00 0.69 C ATOM 298 CE LYS A 613 -5.443 -4.694 8.454 1.00 1.45 C ATOM 299 NZ LYS A 613 -5.712 -5.996 7.783 1.00 1.76 N ATOM 0 H LYS A 613 -9.385 0.022 8.743 1.00 0.15 H new ATOM 0 HA LYS A 613 -6.974 -0.722 7.429 1.00 0.14 H new ATOM 0 HB2 LYS A 613 -8.505 -1.595 9.596 1.00 0.16 H new ATOM 0 HB3 LYS A 613 -8.704 -2.889 8.432 1.00 0.16 H new ATOM 0 HG2 LYS A 613 -5.946 -2.259 8.387 1.00 0.35 H new ATOM 0 HG3 LYS A 613 -6.403 -2.231 10.078 1.00 0.35 H new ATOM 0 HD2 LYS A 613 -6.731 -4.479 10.158 1.00 0.69 H new ATOM 0 HD3 LYS A 613 -7.575 -4.510 8.623 1.00 0.69 H new ATOM 0 HE2 LYS A 613 -5.072 -3.978 7.720 1.00 1.45 H new ATOM 0 HE3 LYS A 613 -4.657 -4.825 9.197 1.00 1.45 H new ATOM 0 HZ1 LYS A 613 -4.949 -6.666 8.007 1.00 1.76 H new ATOM 0 HZ2 LYS A 613 -6.618 -6.379 8.119 1.00 1.76 H new ATOM 0 HZ3 LYS A 613 -5.757 -5.853 6.754 1.00 1.76 H new ATOM 313 N GLY A 614 -7.799 -2.744 5.869 1.00 0.13 N ATOM 314 CA GLY A 614 -8.165 -3.447 4.656 1.00 0.14 C ATOM 315 C GLY A 614 -7.196 -4.566 4.329 1.00 0.15 C ATOM 316 O GLY A 614 -6.185 -4.741 5.009 1.00 0.24 O ATOM 0 H GLY A 614 -6.984 -3.123 6.351 1.00 0.13 H new ATOM 0 HA2 GLY A 614 -9.169 -3.858 4.765 1.00 0.14 H new ATOM 0 HA3 GLY A 614 -8.197 -2.742 3.825 1.00 0.14 H new ATOM 320 N THR A 615 -7.507 -5.325 3.286 1.00 0.15 N ATOM 321 CA THR A 615 -6.661 -6.437 2.865 1.00 0.16 C ATOM 322 C THR A 615 -6.159 -6.238 1.439 1.00 0.14 C ATOM 323 O THR A 615 -6.944 -6.011 0.522 1.00 0.17 O ATOM 324 CB THR A 615 -7.410 -7.780 2.951 1.00 0.20 C ATOM 325 OG1 THR A 615 -8.437 -7.707 3.948 1.00 0.44 O ATOM 326 CG2 THR A 615 -6.453 -8.914 3.286 1.00 0.42 C ATOM 0 H THR A 615 -8.341 -5.191 2.714 1.00 0.15 H new ATOM 0 HA THR A 615 -5.811 -6.461 3.547 1.00 0.16 H new ATOM 0 HB THR A 615 -7.861 -7.981 1.979 1.00 0.20 H new ATOM 0 HG1 THR A 615 -8.909 -8.564 3.995 1.00 0.44 H new ATOM 0 HG21 THR A 615 -7.005 -9.852 3.341 1.00 0.42 H new ATOM 0 HG22 THR A 615 -5.690 -8.987 2.511 1.00 0.42 H new ATOM 0 HG23 THR A 615 -5.977 -8.716 4.246 1.00 0.42 H new ATOM 334 N LEU A 616 -4.845 -6.323 1.261 1.00 0.14 N ATOM 335 CA LEU A 616 -4.235 -6.150 -0.053 1.00 0.16 C ATOM 336 C LEU A 616 -4.008 -7.496 -0.737 1.00 0.15 C ATOM 337 O LEU A 616 -3.422 -8.410 -0.155 1.00 0.18 O ATOM 338 CB LEU A 616 -2.909 -5.396 0.073 1.00 0.21 C ATOM 339 CG LEU A 616 -2.194 -5.118 -1.250 1.00 0.22 C ATOM 340 CD1 LEU A 616 -1.602 -3.719 -1.255 1.00 0.38 C ATOM 341 CD2 LEU A 616 -1.113 -6.158 -1.498 1.00 0.40 C ATOM 0 H LEU A 616 -4.180 -6.511 2.012 1.00 0.14 H new ATOM 0 HA LEU A 616 -4.921 -5.567 -0.668 1.00 0.16 H new ATOM 0 HB2 LEU A 616 -3.095 -4.446 0.574 1.00 0.21 H new ATOM 0 HB3 LEU A 616 -2.242 -5.970 0.715 1.00 0.21 H new ATOM 0 HG LEU A 616 -2.925 -5.182 -2.056 1.00 0.22 H new ATOM 0 HD11 LEU A 616 -1.098 -3.541 -2.205 1.00 0.38 H new ATOM 0 HD12 LEU A 616 -2.398 -2.986 -1.124 1.00 0.38 H new ATOM 0 HD13 LEU A 616 -0.885 -3.625 -0.440 1.00 0.38 H new ATOM 0 HD21 LEU A 616 -0.614 -5.946 -2.443 1.00 0.40 H new ATOM 0 HD22 LEU A 616 -0.384 -6.126 -0.688 1.00 0.40 H new ATOM 0 HD23 LEU A 616 -1.565 -7.149 -1.541 1.00 0.40 H new ATOM 353 N TYR A 617 -4.479 -7.609 -1.977 1.00 0.14 N ATOM 354 CA TYR A 617 -4.331 -8.840 -2.748 1.00 0.16 C ATOM 355 C TYR A 617 -3.099 -8.775 -3.650 1.00 0.21 C ATOM 356 O TYR A 617 -2.918 -7.816 -4.400 1.00 0.22 O ATOM 357 CB TYR A 617 -5.588 -9.092 -3.584 1.00 0.16 C ATOM 358 CG TYR A 617 -6.701 -9.769 -2.815 1.00 0.20 C ATOM 359 CD1 TYR A 617 -7.342 -9.118 -1.767 1.00 0.29 C ATOM 360 CD2 TYR A 617 -7.109 -11.057 -3.134 1.00 0.31 C ATOM 361 CE1 TYR A 617 -8.357 -9.734 -1.059 1.00 0.34 C ATOM 362 CE2 TYR A 617 -8.124 -11.679 -2.431 1.00 0.37 C ATOM 363 CZ TYR A 617 -8.744 -11.014 -1.395 1.00 0.34 C ATOM 364 OH TYR A 617 -9.755 -11.629 -0.692 1.00 0.43 O ATOM 0 H TYR A 617 -4.967 -6.861 -2.470 1.00 0.14 H new ATOM 0 HA TYR A 617 -4.197 -9.667 -2.050 1.00 0.16 H new ATOM 0 HB2 TYR A 617 -5.952 -8.141 -3.973 1.00 0.16 H new ATOM 0 HB3 TYR A 617 -5.325 -9.708 -4.444 1.00 0.16 H new ATOM 0 HD1 TYR A 617 -7.042 -8.115 -1.502 1.00 0.29 H new ATOM 0 HD2 TYR A 617 -6.626 -11.582 -3.945 1.00 0.31 H new ATOM 0 HE1 TYR A 617 -8.844 -9.215 -0.247 1.00 0.34 H new ATOM 0 HE2 TYR A 617 -8.430 -12.681 -2.692 1.00 0.37 H new ATOM 0 HH TYR A 617 -9.907 -12.527 -1.055 1.00 0.43 H new ATOM 374 N LYS A 618 -2.254 -9.799 -3.561 1.00 0.27 N ATOM 375 CA LYS A 618 -1.029 -9.862 -4.357 1.00 0.34 C ATOM 376 C LYS A 618 -1.334 -10.011 -5.846 1.00 0.33 C ATOM 377 O LYS A 618 -0.582 -9.524 -6.691 1.00 0.37 O ATOM 378 CB LYS A 618 -0.154 -11.027 -3.892 1.00 0.44 C ATOM 379 CG LYS A 618 0.311 -10.903 -2.451 1.00 0.80 C ATOM 380 CD LYS A 618 1.426 -9.878 -2.311 1.00 1.13 C ATOM 381 CE LYS A 618 1.325 -9.120 -0.997 1.00 1.56 C ATOM 382 NZ LYS A 618 1.624 -7.671 -1.168 1.00 2.48 N ATOM 0 H LYS A 618 -2.395 -10.599 -2.944 1.00 0.27 H new ATOM 0 HA LYS A 618 -0.494 -8.924 -4.211 1.00 0.34 H new ATOM 0 HB2 LYS A 618 -0.711 -11.957 -4.006 1.00 0.44 H new ATOM 0 HB3 LYS A 618 0.719 -11.097 -4.542 1.00 0.44 H new ATOM 0 HG2 LYS A 618 -0.530 -10.616 -1.820 1.00 0.80 H new ATOM 0 HG3 LYS A 618 0.660 -11.873 -2.096 1.00 0.80 H new ATOM 0 HD2 LYS A 618 2.392 -10.380 -2.369 1.00 1.13 H new ATOM 0 HD3 LYS A 618 1.381 -9.174 -3.142 1.00 1.13 H new ATOM 0 HE2 LYS A 618 0.322 -9.238 -0.586 1.00 1.56 H new ATOM 0 HE3 LYS A 618 2.018 -9.551 -0.275 1.00 1.56 H new ATOM 0 HZ1 LYS A 618 1.561 -7.192 -0.247 1.00 2.48 H new ATOM 0 HZ2 LYS A 618 2.584 -7.558 -1.552 1.00 2.48 H new ATOM 0 HZ3 LYS A 618 0.936 -7.250 -1.824 1.00 2.48 H new ATOM 396 N GLU A 619 -2.430 -10.696 -6.162 1.00 0.31 N ATOM 397 CA GLU A 619 -2.824 -10.918 -7.551 1.00 0.34 C ATOM 398 C GLU A 619 -2.919 -9.601 -8.321 1.00 0.30 C ATOM 399 O GLU A 619 -2.885 -9.586 -9.552 1.00 0.34 O ATOM 400 CB GLU A 619 -4.164 -11.653 -7.613 1.00 0.35 C ATOM 401 CG GLU A 619 -5.321 -10.861 -7.025 1.00 1.04 C ATOM 402 CD GLU A 619 -6.630 -11.625 -7.061 1.00 1.45 C ATOM 403 OE1 GLU A 619 -6.621 -12.833 -6.744 1.00 2.07 O ATOM 404 OE2 GLU A 619 -7.665 -11.015 -7.406 1.00 1.68 O ATOM 0 H GLU A 619 -3.062 -11.107 -5.475 1.00 0.31 H new ATOM 0 HA GLU A 619 -2.054 -11.532 -8.019 1.00 0.34 H new ATOM 0 HB2 GLU A 619 -4.390 -11.892 -8.652 1.00 0.35 H new ATOM 0 HB3 GLU A 619 -4.075 -12.600 -7.080 1.00 0.35 H new ATOM 0 HG2 GLU A 619 -5.088 -10.596 -5.994 1.00 1.04 H new ATOM 0 HG3 GLU A 619 -5.434 -9.927 -7.576 1.00 1.04 H new ATOM 411 N ARG A 620 -3.036 -8.500 -7.588 1.00 0.25 N ATOM 412 CA ARG A 620 -3.137 -7.178 -8.194 1.00 0.25 C ATOM 413 C ARG A 620 -2.002 -6.277 -7.715 1.00 0.27 C ATOM 414 O ARG A 620 -1.664 -5.287 -8.365 1.00 0.29 O ATOM 415 CB ARG A 620 -4.491 -6.543 -7.871 1.00 0.25 C ATOM 416 CG ARG A 620 -5.527 -6.737 -8.968 1.00 0.38 C ATOM 417 CD ARG A 620 -6.935 -6.814 -8.399 1.00 0.55 C ATOM 418 NE ARG A 620 -7.951 -6.561 -9.417 1.00 0.88 N ATOM 419 CZ ARG A 620 -8.756 -7.500 -9.909 1.00 0.95 C ATOM 420 NH1 ARG A 620 -8.662 -8.750 -9.475 1.00 1.77 N ATOM 421 NH2 ARG A 620 -9.656 -7.189 -10.832 1.00 1.17 N ATOM 0 H ARG A 620 -3.063 -8.497 -6.568 1.00 0.25 H new ATOM 0 HA ARG A 620 -3.054 -7.291 -9.275 1.00 0.25 H new ATOM 0 HB2 ARG A 620 -4.872 -6.969 -6.943 1.00 0.25 H new ATOM 0 HB3 ARG A 620 -4.351 -5.476 -7.698 1.00 0.25 H new ATOM 0 HG2 ARG A 620 -5.465 -5.912 -9.678 1.00 0.38 H new ATOM 0 HG3 ARG A 620 -5.306 -7.650 -9.520 1.00 0.38 H new ATOM 0 HD2 ARG A 620 -7.096 -7.800 -7.963 1.00 0.55 H new ATOM 0 HD3 ARG A 620 -7.041 -6.088 -7.593 1.00 0.55 H new ATOM 0 HE ARG A 620 -8.049 -5.610 -9.772 1.00 0.88 H new ATOM 0 HH11 ARG A 620 -7.972 -8.992 -8.764 1.00 1.77 H new ATOM 0 HH12 ARG A 620 -9.279 -9.469 -9.853 1.00 1.77 H new ATOM 0 HH21 ARG A 620 -9.733 -6.228 -11.166 1.00 1.17 H new ATOM 0 HH22 ARG A 620 -10.272 -7.910 -11.207 1.00 1.17 H new ATOM 435 N PHE A 621 -1.429 -6.625 -6.567 1.00 0.31 N ATOM 436 CA PHE A 621 -0.335 -5.856 -5.976 1.00 0.38 C ATOM 437 C PHE A 621 0.817 -5.650 -6.961 1.00 0.33 C ATOM 438 O PHE A 621 1.581 -4.691 -6.840 1.00 0.34 O ATOM 439 CB PHE A 621 0.178 -6.566 -4.721 1.00 0.53 C ATOM 440 CG PHE A 621 1.334 -5.872 -4.060 1.00 0.75 C ATOM 441 CD1 PHE A 621 1.179 -4.608 -3.514 1.00 0.87 C ATOM 442 CD2 PHE A 621 2.575 -6.481 -3.986 1.00 0.96 C ATOM 443 CE1 PHE A 621 2.240 -3.965 -2.906 1.00 1.13 C ATOM 444 CE2 PHE A 621 3.641 -5.844 -3.382 1.00 1.21 C ATOM 445 CZ PHE A 621 3.472 -4.591 -2.830 1.00 1.27 C ATOM 0 H PHE A 621 -1.706 -7.442 -6.022 1.00 0.31 H new ATOM 0 HA PHE A 621 -0.726 -4.873 -5.714 1.00 0.38 H new ATOM 0 HB2 PHE A 621 -0.639 -6.653 -4.005 1.00 0.53 H new ATOM 0 HB3 PHE A 621 0.479 -7.580 -4.986 1.00 0.53 H new ATOM 0 HD1 PHE A 621 0.217 -4.119 -3.564 1.00 0.87 H new ATOM 0 HD2 PHE A 621 2.711 -7.467 -4.406 1.00 0.96 H new ATOM 0 HE1 PHE A 621 2.108 -2.977 -2.491 1.00 1.13 H new ATOM 0 HE2 PHE A 621 4.606 -6.326 -3.342 1.00 1.21 H new ATOM 0 HZ PHE A 621 4.299 -4.100 -2.340 1.00 1.27 H new ATOM 455 N LYS A 622 0.942 -6.553 -7.930 1.00 0.33 N ATOM 456 CA LYS A 622 2.010 -6.461 -8.924 1.00 0.39 C ATOM 457 C LYS A 622 1.926 -5.152 -9.707 1.00 0.38 C ATOM 458 O LYS A 622 2.879 -4.755 -10.377 1.00 0.48 O ATOM 459 CB LYS A 622 1.943 -7.648 -9.888 1.00 0.48 C ATOM 460 CG LYS A 622 0.550 -7.913 -10.433 1.00 1.26 C ATOM 461 CD LYS A 622 0.602 -8.672 -11.749 1.00 2.09 C ATOM 462 CE LYS A 622 -0.439 -9.778 -11.796 1.00 2.24 C ATOM 463 NZ LYS A 622 -1.640 -9.378 -12.581 1.00 2.99 N ATOM 0 H LYS A 622 0.321 -7.353 -8.049 1.00 0.33 H new ATOM 0 HA LYS A 622 2.962 -6.482 -8.393 1.00 0.39 H new ATOM 0 HB2 LYS A 622 2.621 -7.467 -10.722 1.00 0.48 H new ATOM 0 HB3 LYS A 622 2.299 -8.542 -9.376 1.00 0.48 H new ATOM 0 HG2 LYS A 622 -0.024 -8.485 -9.704 1.00 1.26 H new ATOM 0 HG3 LYS A 622 0.029 -6.967 -10.578 1.00 1.26 H new ATOM 0 HD2 LYS A 622 0.437 -7.981 -12.576 1.00 2.09 H new ATOM 0 HD3 LYS A 622 1.595 -9.100 -11.884 1.00 2.09 H new ATOM 0 HE2 LYS A 622 0.001 -10.672 -12.237 1.00 2.24 H new ATOM 0 HE3 LYS A 622 -0.739 -10.038 -10.781 1.00 2.24 H new ATOM 0 HZ1 LYS A 622 -2.326 -10.160 -12.589 1.00 2.99 H new ATOM 0 HZ2 LYS A 622 -2.076 -8.540 -12.146 1.00 2.99 H new ATOM 0 HZ3 LYS A 622 -1.358 -9.155 -13.557 1.00 2.99 H new ATOM 477 N GLN A 623 0.778 -4.490 -9.617 1.00 0.35 N ATOM 478 CA GLN A 623 0.559 -3.230 -10.314 1.00 0.46 C ATOM 479 C GLN A 623 0.369 -2.083 -9.324 1.00 0.49 C ATOM 480 O GLN A 623 0.441 -0.910 -9.694 1.00 0.63 O ATOM 481 CB GLN A 623 -0.656 -3.353 -11.230 1.00 0.55 C ATOM 482 CG GLN A 623 -0.818 -4.744 -11.816 1.00 0.68 C ATOM 483 CD GLN A 623 -2.256 -5.076 -12.147 1.00 0.92 C ATOM 484 OE1 GLN A 623 -2.739 -4.781 -13.240 1.00 1.48 O ATOM 485 NE2 GLN A 623 -2.947 -5.692 -11.198 1.00 1.27 N ATOM 0 H GLN A 623 -0.019 -4.808 -9.065 1.00 0.35 H new ATOM 0 HA GLN A 623 1.440 -3.008 -10.917 1.00 0.46 H new ATOM 0 HB2 GLN A 623 -1.554 -3.094 -10.670 1.00 0.55 H new ATOM 0 HB3 GLN A 623 -0.567 -2.631 -12.042 1.00 0.55 H new ATOM 0 HG2 GLN A 623 -0.214 -4.825 -12.720 1.00 0.68 H new ATOM 0 HG3 GLN A 623 -0.434 -5.479 -11.108 1.00 0.68 H new ATOM 0 HE21 GLN A 623 -2.503 -5.916 -10.308 1.00 1.27 H new ATOM 0 HE22 GLN A 623 -3.923 -5.942 -11.358 1.00 1.27 H new ATOM 494 N GLY A 624 0.133 -2.434 -8.063 1.00 0.42 N ATOM 495 CA GLY A 624 -0.057 -1.433 -7.025 1.00 0.47 C ATOM 496 C GLY A 624 -1.284 -0.569 -7.246 1.00 0.66 C ATOM 497 O GLY A 624 -2.412 -1.062 -7.236 1.00 1.40 O ATOM 0 H GLY A 624 0.070 -3.399 -7.739 1.00 0.42 H new ATOM 0 HA2 GLY A 624 -0.141 -1.932 -6.059 1.00 0.47 H new ATOM 0 HA3 GLY A 624 0.825 -0.795 -6.979 1.00 0.47 H new ATOM 501 N THR A 625 -1.060 0.730 -7.423 1.00 0.31 N ATOM 502 CA THR A 625 -2.147 1.685 -7.625 1.00 0.32 C ATOM 503 C THR A 625 -2.806 1.540 -8.995 1.00 0.34 C ATOM 504 O THR A 625 -3.719 2.295 -9.329 1.00 0.61 O ATOM 505 CB THR A 625 -1.649 3.132 -7.463 1.00 0.34 C ATOM 506 OG1 THR A 625 -2.760 4.036 -7.457 1.00 0.91 O ATOM 507 CG2 THR A 625 -0.690 3.507 -8.585 1.00 0.76 C ATOM 0 H THR A 625 -0.130 1.148 -7.431 1.00 0.31 H new ATOM 0 HA THR A 625 -2.891 1.461 -6.861 1.00 0.32 H new ATOM 0 HB THR A 625 -1.117 3.203 -6.514 1.00 0.34 H new ATOM 0 HG1 THR A 625 -3.450 3.710 -8.072 1.00 0.91 H new ATOM 0 HG21 THR A 625 -0.353 4.534 -8.447 1.00 0.76 H new ATOM 0 HG22 THR A 625 0.170 2.837 -8.568 1.00 0.76 H new ATOM 0 HG23 THR A 625 -1.200 3.418 -9.544 1.00 0.76 H new ATOM 515 N SER A 626 -2.347 0.578 -9.787 1.00 0.37 N ATOM 516 CA SER A 626 -2.910 0.364 -11.114 1.00 0.37 C ATOM 517 C SER A 626 -4.097 -0.590 -11.057 1.00 0.31 C ATOM 518 O SER A 626 -4.688 -0.922 -12.085 1.00 0.31 O ATOM 519 CB SER A 626 -1.843 -0.185 -12.063 1.00 0.43 C ATOM 520 OG SER A 626 -0.786 0.744 -12.236 1.00 0.92 O ATOM 0 H SER A 626 -1.593 -0.061 -9.536 1.00 0.37 H new ATOM 0 HA SER A 626 -3.260 1.325 -11.490 1.00 0.37 H new ATOM 0 HB2 SER A 626 -1.448 -1.121 -11.668 1.00 0.43 H new ATOM 0 HB3 SER A 626 -2.293 -0.412 -13.029 1.00 0.43 H new ATOM 0 HG SER A 626 -0.117 0.368 -12.845 1.00 0.92 H new ATOM 526 N LYS A 627 -4.443 -1.023 -9.849 1.00 0.30 N ATOM 527 CA LYS A 627 -5.559 -1.936 -9.648 1.00 0.31 C ATOM 528 C LYS A 627 -6.074 -1.859 -8.215 1.00 0.32 C ATOM 529 O LYS A 627 -5.380 -1.377 -7.320 1.00 0.47 O ATOM 530 CB LYS A 627 -5.133 -3.369 -9.966 1.00 0.36 C ATOM 531 CG LYS A 627 -5.339 -3.745 -11.420 1.00 0.41 C ATOM 532 CD LYS A 627 -6.749 -4.254 -11.665 1.00 0.86 C ATOM 533 CE LYS A 627 -7.339 -3.675 -12.940 1.00 1.24 C ATOM 534 NZ LYS A 627 -8.820 -3.818 -12.981 1.00 1.87 N ATOM 0 H LYS A 627 -3.962 -0.753 -8.991 1.00 0.30 H new ATOM 0 HA LYS A 627 -6.363 -1.641 -10.322 1.00 0.31 H new ATOM 0 HB2 LYS A 627 -4.081 -3.493 -9.711 1.00 0.36 H new ATOM 0 HB3 LYS A 627 -5.697 -4.057 -9.336 1.00 0.36 H new ATOM 0 HG2 LYS A 627 -5.148 -2.878 -12.052 1.00 0.41 H new ATOM 0 HG3 LYS A 627 -4.619 -4.512 -11.705 1.00 0.41 H new ATOM 0 HD2 LYS A 627 -6.738 -5.342 -11.730 1.00 0.86 H new ATOM 0 HD3 LYS A 627 -7.383 -3.992 -10.818 1.00 0.86 H new ATOM 0 HE2 LYS A 627 -7.074 -2.621 -13.017 1.00 1.24 H new ATOM 0 HE3 LYS A 627 -6.902 -4.177 -13.803 1.00 1.24 H new ATOM 0 HZ1 LYS A 627 -9.184 -3.411 -13.866 1.00 1.87 H new ATOM 0 HZ2 LYS A 627 -9.073 -4.826 -12.934 1.00 1.87 H new ATOM 0 HZ3 LYS A 627 -9.240 -3.317 -12.172 1.00 1.87 H new ATOM 548 N LYS A 628 -7.295 -2.341 -8.005 1.00 0.28 N ATOM 549 CA LYS A 628 -7.903 -2.331 -6.680 1.00 0.29 C ATOM 550 C LYS A 628 -7.696 -3.672 -5.981 1.00 0.28 C ATOM 551 O LYS A 628 -8.396 -4.644 -6.261 1.00 0.45 O ATOM 552 CB LYS A 628 -9.398 -2.020 -6.784 1.00 0.32 C ATOM 553 CG LYS A 628 -10.102 -2.770 -7.903 1.00 1.00 C ATOM 554 CD LYS A 628 -10.898 -1.827 -8.791 1.00 1.24 C ATOM 555 CE LYS A 628 -12.074 -2.532 -9.454 1.00 1.55 C ATOM 556 NZ LYS A 628 -12.011 -4.011 -9.287 1.00 2.32 N ATOM 0 H LYS A 628 -7.882 -2.743 -8.736 1.00 0.28 H new ATOM 0 HA LYS A 628 -7.420 -1.553 -6.089 1.00 0.29 H new ATOM 0 HB2 LYS A 628 -9.878 -2.265 -5.836 1.00 0.32 H new ATOM 0 HB3 LYS A 628 -9.527 -0.949 -6.939 1.00 0.32 H new ATOM 0 HG2 LYS A 628 -9.366 -3.303 -8.504 1.00 1.00 H new ATOM 0 HG3 LYS A 628 -10.769 -3.520 -7.477 1.00 1.00 H new ATOM 0 HD2 LYS A 628 -11.264 -0.990 -8.196 1.00 1.24 H new ATOM 0 HD3 LYS A 628 -10.244 -1.411 -9.558 1.00 1.24 H new ATOM 0 HE2 LYS A 628 -13.006 -2.159 -9.028 1.00 1.55 H new ATOM 0 HE3 LYS A 628 -12.089 -2.288 -10.516 1.00 1.55 H new ATOM 0 HZ1 LYS A 628 -12.740 -4.458 -9.878 1.00 2.32 H new ATOM 0 HZ2 LYS A 628 -11.073 -4.353 -9.577 1.00 2.32 H new ATOM 0 HZ3 LYS A 628 -12.176 -4.255 -8.290 1.00 2.32 H new ATOM 570 N CYS A 629 -6.724 -3.717 -5.075 1.00 0.18 N ATOM 571 CA CYS A 629 -6.423 -4.941 -4.342 1.00 0.17 C ATOM 572 C CYS A 629 -6.752 -4.794 -2.861 1.00 0.16 C ATOM 573 O CYS A 629 -6.506 -5.703 -2.071 1.00 0.17 O ATOM 574 CB CYS A 629 -4.949 -5.312 -4.512 1.00 0.20 C ATOM 575 SG CYS A 629 -3.832 -3.891 -4.557 1.00 0.33 S ATOM 0 H CYS A 629 -6.133 -2.922 -4.832 1.00 0.18 H new ATOM 0 HA CYS A 629 -7.044 -5.737 -4.753 1.00 0.17 H new ATOM 0 HB2 CYS A 629 -4.653 -5.967 -3.693 1.00 0.20 H new ATOM 0 HB3 CYS A 629 -4.833 -5.882 -5.434 1.00 0.20 H new ATOM 0 HG CYS A 629 -2.608 -4.305 -4.701 1.00 0.33 H new ATOM 581 N ILE A 630 -7.312 -3.648 -2.489 1.00 0.16 N ATOM 582 CA ILE A 630 -7.673 -3.397 -1.100 1.00 0.18 C ATOM 583 C ILE A 630 -9.145 -3.707 -0.851 1.00 0.18 C ATOM 584 O ILE A 630 -10.027 -2.932 -1.221 1.00 0.21 O ATOM 585 CB ILE A 630 -7.377 -1.936 -0.696 1.00 0.21 C ATOM 586 CG1 ILE A 630 -5.868 -1.707 -0.617 1.00 0.22 C ATOM 587 CG2 ILE A 630 -8.035 -1.601 0.637 1.00 0.29 C ATOM 588 CD1 ILE A 630 -5.457 -0.279 -0.898 1.00 0.31 C ATOM 0 H ILE A 630 -7.525 -2.882 -3.127 1.00 0.16 H new ATOM 0 HA ILE A 630 -7.062 -4.059 -0.486 1.00 0.18 H new ATOM 0 HB ILE A 630 -7.794 -1.276 -1.457 1.00 0.21 H new ATOM 0 HG12 ILE A 630 -5.518 -1.988 0.376 1.00 0.22 H new ATOM 0 HG13 ILE A 630 -5.371 -2.366 -1.329 1.00 0.22 H new ATOM 0 HG21 ILE A 630 -7.814 -0.567 0.902 1.00 0.29 H new ATOM 0 HG22 ILE A 630 -9.114 -1.731 0.553 1.00 0.29 H new ATOM 0 HG23 ILE A 630 -7.649 -2.265 1.410 1.00 0.29 H new ATOM 0 HD11 ILE A 630 -4.373 -0.191 -0.824 1.00 0.31 H new ATOM 0 HD12 ILE A 630 -5.776 0.001 -1.902 1.00 0.31 H new ATOM 0 HD13 ILE A 630 -5.925 0.384 -0.171 1.00 0.31 H new ATOM 600 N GLN A 631 -9.398 -4.848 -0.219 1.00 0.23 N ATOM 601 CA GLN A 631 -10.758 -5.270 0.088 1.00 0.27 C ATOM 602 C GLN A 631 -11.153 -4.823 1.490 1.00 0.29 C ATOM 603 O GLN A 631 -10.548 -5.238 2.479 1.00 0.34 O ATOM 604 CB GLN A 631 -10.882 -6.791 -0.029 1.00 0.35 C ATOM 605 CG GLN A 631 -12.244 -7.324 0.388 1.00 0.41 C ATOM 606 CD GLN A 631 -12.188 -8.756 0.881 1.00 0.60 C ATOM 607 OE1 GLN A 631 -11.571 -9.050 1.905 1.00 1.15 O ATOM 608 NE2 GLN A 631 -12.834 -9.658 0.149 1.00 0.77 N ATOM 0 H GLN A 631 -8.676 -5.498 0.091 1.00 0.23 H new ATOM 0 HA GLN A 631 -11.432 -4.804 -0.631 1.00 0.27 H new ATOM 0 HB2 GLN A 631 -10.686 -7.085 -1.060 1.00 0.35 H new ATOM 0 HB3 GLN A 631 -10.114 -7.258 0.587 1.00 0.35 H new ATOM 0 HG2 GLN A 631 -12.652 -6.689 1.175 1.00 0.41 H new ATOM 0 HG3 GLN A 631 -12.928 -7.262 -0.458 1.00 0.41 H new ATOM 0 HE21 GLN A 631 -13.333 -9.369 -0.693 1.00 0.77 H new ATOM 0 HE22 GLN A 631 -12.831 -10.639 0.429 1.00 0.77 H new ATOM 617 N SER A 632 -12.172 -3.976 1.567 1.00 0.28 N ATOM 618 CA SER A 632 -12.650 -3.474 2.846 1.00 0.32 C ATOM 619 C SER A 632 -14.170 -3.559 2.927 1.00 0.56 C ATOM 620 O SER A 632 -14.834 -3.859 1.935 1.00 0.83 O ATOM 621 CB SER A 632 -12.195 -2.027 3.056 1.00 0.70 C ATOM 622 OG SER A 632 -11.088 -1.716 2.227 1.00 1.80 O ATOM 0 H SER A 632 -12.683 -3.623 0.758 1.00 0.28 H new ATOM 0 HA SER A 632 -12.225 -4.096 3.634 1.00 0.32 H new ATOM 0 HB2 SER A 632 -13.019 -1.348 2.838 1.00 0.70 H new ATOM 0 HB3 SER A 632 -11.925 -1.875 4.101 1.00 0.70 H new ATOM 0 HG SER A 632 -10.640 -0.914 2.567 1.00 1.80 H new ATOM 677 N LYS A 636 -15.632 -4.987 -0.866 1.00 0.37 N ATOM 678 CA LYS A 636 -15.470 -3.839 -1.750 1.00 0.37 C ATOM 679 C LYS A 636 -13.995 -3.497 -1.925 1.00 0.31 C ATOM 680 O LYS A 636 -13.323 -3.098 -0.975 1.00 0.36 O ATOM 681 CB LYS A 636 -16.227 -2.630 -1.197 1.00 0.51 C ATOM 682 CG LYS A 636 -17.395 -2.190 -2.066 1.00 0.90 C ATOM 683 CD LYS A 636 -16.927 -1.696 -3.426 1.00 0.81 C ATOM 684 CE LYS A 636 -17.566 -2.488 -4.554 1.00 1.13 C ATOM 685 NZ LYS A 636 -17.086 -2.039 -5.888 1.00 1.60 N ATOM 0 HA LYS A 636 -15.883 -4.099 -2.725 1.00 0.37 H new ATOM 0 HB2 LYS A 636 -16.597 -2.869 -0.200 1.00 0.51 H new ATOM 0 HB3 LYS A 636 -15.533 -1.797 -1.088 1.00 0.51 H new ATOM 0 HG2 LYS A 636 -18.085 -3.024 -2.199 1.00 0.90 H new ATOM 0 HG3 LYS A 636 -17.947 -1.397 -1.561 1.00 0.90 H new ATOM 0 HD2 LYS A 636 -17.174 -0.640 -3.536 1.00 0.81 H new ATOM 0 HD3 LYS A 636 -15.842 -1.778 -3.491 1.00 0.81 H new ATOM 0 HE2 LYS A 636 -17.343 -3.547 -4.426 1.00 1.13 H new ATOM 0 HE3 LYS A 636 -18.650 -2.382 -4.504 1.00 1.13 H new ATOM 0 HZ1 LYS A 636 -17.546 -2.604 -6.630 1.00 1.60 H new ATOM 0 HZ2 LYS A 636 -17.321 -1.035 -6.022 1.00 1.60 H new ATOM 0 HZ3 LYS A 636 -16.055 -2.164 -5.946 1.00 1.60 H new ATOM 699 N TRP A 637 -13.494 -3.664 -3.145 1.00 0.25 N ATOM 700 CA TRP A 637 -12.093 -3.382 -3.440 1.00 0.21 C ATOM 701 C TRP A 637 -11.917 -1.950 -3.936 1.00 0.22 C ATOM 702 O TRP A 637 -12.699 -1.464 -4.754 1.00 0.26 O ATOM 703 CB TRP A 637 -11.553 -4.373 -4.482 1.00 0.22 C ATOM 704 CG TRP A 637 -11.772 -5.819 -4.127 1.00 0.27 C ATOM 705 CD1 TRP A 637 -12.496 -6.317 -3.078 1.00 0.38 C ATOM 706 CD2 TRP A 637 -11.254 -6.957 -4.829 1.00 0.33 C ATOM 707 NE1 TRP A 637 -12.463 -7.689 -3.090 1.00 0.42 N ATOM 708 CE2 TRP A 637 -11.707 -8.106 -4.153 1.00 0.39 C ATOM 709 CE3 TRP A 637 -10.454 -7.114 -5.963 1.00 0.46 C ATOM 710 CZ2 TRP A 637 -11.385 -9.394 -4.576 1.00 0.49 C ATOM 711 CZ3 TRP A 637 -10.135 -8.393 -6.381 1.00 0.60 C ATOM 712 CH2 TRP A 637 -10.600 -9.518 -5.689 1.00 0.60 C ATOM 0 H TRP A 637 -14.036 -3.993 -3.944 1.00 0.25 H new ATOM 0 HA TRP A 637 -11.525 -3.497 -2.517 1.00 0.21 H new ATOM 0 HB2 TRP A 637 -12.029 -4.170 -5.441 1.00 0.22 H new ATOM 0 HB3 TRP A 637 -10.485 -4.200 -4.613 1.00 0.22 H new ATOM 0 HD1 TRP A 637 -13.018 -5.717 -2.347 1.00 0.38 H new ATOM 0 HE1 TRP A 637 -12.926 -8.299 -2.417 1.00 0.42 H new ATOM 0 HE3 TRP A 637 -10.091 -6.252 -6.504 1.00 0.46 H new ATOM 0 HZ2 TRP A 637 -11.743 -10.263 -4.044 1.00 0.49 H new ATOM 0 HZ3 TRP A 637 -9.517 -8.526 -7.256 1.00 0.60 H new ATOM 0 HH2 TRP A 637 -10.333 -10.503 -6.041 1.00 0.60 H new ATOM 723 N PHE A 638 -10.884 -1.281 -3.430 1.00 0.24 N ATOM 724 CA PHE A 638 -10.596 0.098 -3.811 1.00 0.30 C ATOM 725 C PHE A 638 -9.136 0.255 -4.220 1.00 0.27 C ATOM 726 O PHE A 638 -8.289 -0.565 -3.866 1.00 0.29 O ATOM 727 CB PHE A 638 -10.888 1.047 -2.644 1.00 0.41 C ATOM 728 CG PHE A 638 -12.341 1.147 -2.272 1.00 0.29 C ATOM 729 CD1 PHE A 638 -12.957 0.138 -1.550 1.00 0.62 C ATOM 730 CD2 PHE A 638 -13.086 2.256 -2.637 1.00 0.76 C ATOM 731 CE1 PHE A 638 -14.289 0.233 -1.199 1.00 0.69 C ATOM 732 CE2 PHE A 638 -14.419 2.357 -2.287 1.00 0.87 C ATOM 733 CZ PHE A 638 -15.022 1.344 -1.568 1.00 0.59 C ATOM 0 H PHE A 638 -10.231 -1.674 -2.753 1.00 0.24 H new ATOM 0 HA PHE A 638 -11.236 0.348 -4.658 1.00 0.30 H new ATOM 0 HB2 PHE A 638 -10.325 0.715 -1.772 1.00 0.41 H new ATOM 0 HB3 PHE A 638 -10.522 2.041 -2.900 1.00 0.41 H new ATOM 0 HD1 PHE A 638 -12.389 -0.733 -1.258 1.00 0.62 H new ATOM 0 HD2 PHE A 638 -12.620 3.050 -3.201 1.00 0.76 H new ATOM 0 HE1 PHE A 638 -14.757 -0.561 -0.636 1.00 0.69 H new ATOM 0 HE2 PHE A 638 -14.989 3.228 -2.576 1.00 0.87 H new ATOM 0 HZ PHE A 638 -16.064 1.420 -1.295 1.00 0.59 H new ATOM 743 N THR A 639 -8.843 1.333 -4.942 1.00 0.25 N ATOM 744 CA THR A 639 -7.480 1.621 -5.370 1.00 0.25 C ATOM 745 C THR A 639 -6.828 2.564 -4.365 1.00 0.22 C ATOM 746 O THR A 639 -7.528 3.274 -3.652 1.00 0.21 O ATOM 747 CB THR A 639 -7.450 2.274 -6.768 1.00 0.30 C ATOM 748 OG1 THR A 639 -8.787 2.495 -7.234 1.00 0.37 O ATOM 749 CG2 THR A 639 -6.700 1.400 -7.765 1.00 0.39 C ATOM 0 H THR A 639 -9.533 2.021 -5.243 1.00 0.25 H new ATOM 0 HA THR A 639 -6.935 0.679 -5.422 1.00 0.25 H new ATOM 0 HB THR A 639 -6.929 3.228 -6.684 1.00 0.30 H new ATOM 0 HG1 THR A 639 -8.760 2.911 -8.121 1.00 0.37 H new ATOM 0 HG21 THR A 639 -6.694 1.884 -8.741 1.00 0.39 H new ATOM 0 HG22 THR A 639 -5.674 1.258 -7.425 1.00 0.39 H new ATOM 0 HG23 THR A 639 -7.194 0.431 -7.843 1.00 0.39 H new ATOM 757 N PRO A 640 -5.485 2.588 -4.279 1.00 0.23 N ATOM 758 CA PRO A 640 -4.775 3.463 -3.336 1.00 0.23 C ATOM 759 C PRO A 640 -5.311 4.895 -3.341 1.00 0.21 C ATOM 760 O PRO A 640 -5.083 5.655 -2.400 1.00 0.22 O ATOM 761 CB PRO A 640 -3.336 3.420 -3.844 1.00 0.27 C ATOM 762 CG PRO A 640 -3.208 2.076 -4.471 1.00 0.30 C ATOM 763 CD PRO A 640 -4.553 1.770 -5.078 1.00 0.27 C ATOM 0 HA PRO A 640 -4.890 3.133 -2.304 1.00 0.23 H new ATOM 0 HB2 PRO A 640 -3.145 4.215 -4.565 1.00 0.27 H new ATOM 0 HB3 PRO A 640 -2.623 3.549 -3.030 1.00 0.27 H new ATOM 0 HG2 PRO A 640 -2.427 2.073 -5.232 1.00 0.30 H new ATOM 0 HG3 PRO A 640 -2.934 1.325 -3.730 1.00 0.30 H new ATOM 0 HD2 PRO A 640 -4.587 2.038 -6.134 1.00 0.27 H new ATOM 0 HD3 PRO A 640 -4.792 0.709 -5.011 1.00 0.27 H new ATOM 771 N ARG A 641 -6.031 5.254 -4.402 1.00 0.20 N ATOM 772 CA ARG A 641 -6.606 6.590 -4.522 1.00 0.21 C ATOM 773 C ARG A 641 -8.008 6.637 -3.913 1.00 0.19 C ATOM 774 O ARG A 641 -8.327 7.538 -3.136 1.00 0.23 O ATOM 775 CB ARG A 641 -6.653 7.015 -5.993 1.00 0.25 C ATOM 776 CG ARG A 641 -7.634 8.142 -6.279 1.00 0.27 C ATOM 777 CD ARG A 641 -7.194 9.444 -5.628 1.00 0.62 C ATOM 778 NE ARG A 641 -7.834 10.606 -6.239 1.00 1.36 N ATOM 779 CZ ARG A 641 -7.299 11.823 -6.244 1.00 1.81 C ATOM 780 NH1 ARG A 641 -6.117 12.033 -5.681 1.00 2.09 N ATOM 781 NH2 ARG A 641 -7.945 12.832 -6.813 1.00 2.60 N ATOM 0 H ARG A 641 -6.229 4.638 -5.190 1.00 0.20 H new ATOM 0 HA ARG A 641 -5.972 7.286 -3.972 1.00 0.21 H new ATOM 0 HB2 ARG A 641 -5.656 7.328 -6.303 1.00 0.25 H new ATOM 0 HB3 ARG A 641 -6.920 6.151 -6.602 1.00 0.25 H new ATOM 0 HG2 ARG A 641 -7.722 8.284 -7.356 1.00 0.27 H new ATOM 0 HG3 ARG A 641 -8.623 7.867 -5.912 1.00 0.27 H new ATOM 0 HD2 ARG A 641 -7.433 9.416 -4.565 1.00 0.62 H new ATOM 0 HD3 ARG A 641 -6.111 9.542 -5.709 1.00 0.62 H new ATOM 0 HE ARG A 641 -8.741 10.477 -6.687 1.00 1.36 H new ATOM 0 HH11 ARG A 641 -5.616 11.260 -5.243 1.00 2.09 H new ATOM 0 HH12 ARG A 641 -5.709 12.968 -5.686 1.00 2.09 H new ATOM 0 HH21 ARG A 641 -8.854 12.675 -7.248 1.00 2.60 H new ATOM 0 HH22 ARG A 641 -7.533 13.765 -6.816 1.00 2.60 H new ATOM 795 N GLU A 642 -8.841 5.660 -4.268 1.00 0.20 N ATOM 796 CA GLU A 642 -10.205 5.593 -3.751 1.00 0.23 C ATOM 797 C GLU A 642 -10.198 5.251 -2.266 1.00 0.23 C ATOM 798 O GLU A 642 -11.126 5.593 -1.531 1.00 0.26 O ATOM 799 CB GLU A 642 -11.019 4.557 -4.527 1.00 0.26 C ATOM 800 CG GLU A 642 -11.647 5.107 -5.797 1.00 0.63 C ATOM 801 CD GLU A 642 -12.843 4.296 -6.257 1.00 0.89 C ATOM 802 OE1 GLU A 642 -12.786 3.051 -6.167 1.00 1.33 O ATOM 803 OE2 GLU A 642 -13.836 4.905 -6.708 1.00 1.60 O ATOM 0 H GLU A 642 -8.595 4.906 -4.910 1.00 0.20 H new ATOM 0 HA GLU A 642 -10.669 6.571 -3.880 1.00 0.23 H new ATOM 0 HB2 GLU A 642 -10.373 3.718 -4.785 1.00 0.26 H new ATOM 0 HB3 GLU A 642 -11.806 4.167 -3.881 1.00 0.26 H new ATOM 0 HG2 GLU A 642 -11.956 6.138 -5.627 1.00 0.63 H new ATOM 0 HG3 GLU A 642 -10.899 5.125 -6.589 1.00 0.63 H new ATOM 810 N PHE A 643 -9.136 4.585 -1.832 1.00 0.22 N ATOM 811 CA PHE A 643 -8.980 4.201 -0.438 1.00 0.23 C ATOM 812 C PHE A 643 -8.526 5.403 0.377 1.00 0.23 C ATOM 813 O PHE A 643 -8.961 5.604 1.511 1.00 0.25 O ATOM 814 CB PHE A 643 -7.962 3.064 -0.316 1.00 0.24 C ATOM 815 CG PHE A 643 -8.097 2.255 0.942 1.00 0.21 C ATOM 816 CD1 PHE A 643 -9.337 1.783 1.342 1.00 0.26 C ATOM 817 CD2 PHE A 643 -6.990 1.970 1.726 1.00 0.27 C ATOM 818 CE1 PHE A 643 -9.470 1.041 2.500 1.00 0.35 C ATOM 819 CE2 PHE A 643 -7.118 1.229 2.885 1.00 0.33 C ATOM 820 CZ PHE A 643 -8.335 0.753 3.268 1.00 0.37 C ATOM 0 H PHE A 643 -8.364 4.298 -2.433 1.00 0.22 H new ATOM 0 HA PHE A 643 -9.939 3.852 -0.054 1.00 0.23 H new ATOM 0 HB2 PHE A 643 -8.068 2.401 -1.175 1.00 0.24 H new ATOM 0 HB3 PHE A 643 -6.957 3.484 -0.360 1.00 0.24 H new ATOM 0 HD1 PHE A 643 -10.209 1.997 0.742 1.00 0.26 H new ATOM 0 HD2 PHE A 643 -6.017 2.331 1.428 1.00 0.27 H new ATOM 0 HE1 PHE A 643 -10.442 0.686 2.810 1.00 0.35 H new ATOM 0 HE2 PHE A 643 -6.247 1.026 3.491 1.00 0.33 H new ATOM 0 HZ PHE A 643 -8.425 0.154 4.162 1.00 0.37 H new ATOM 830 N GLU A 644 -7.658 6.208 -0.227 1.00 0.22 N ATOM 831 CA GLU A 644 -7.148 7.410 0.414 1.00 0.24 C ATOM 832 C GLU A 644 -8.293 8.388 0.655 1.00 0.26 C ATOM 833 O GLU A 644 -8.296 9.137 1.633 1.00 0.29 O ATOM 834 CB GLU A 644 -6.054 8.044 -0.460 1.00 0.25 C ATOM 835 CG GLU A 644 -6.023 9.566 -0.434 1.00 0.33 C ATOM 836 CD GLU A 644 -5.698 10.163 -1.790 1.00 0.65 C ATOM 837 OE1 GLU A 644 -4.687 9.747 -2.394 1.00 1.39 O ATOM 838 OE2 GLU A 644 -6.452 11.047 -2.245 1.00 1.01 O ATOM 0 H GLU A 644 -7.292 6.046 -1.165 1.00 0.22 H new ATOM 0 HA GLU A 644 -6.707 7.153 1.377 1.00 0.24 H new ATOM 0 HB2 GLU A 644 -5.084 7.669 -0.134 1.00 0.25 H new ATOM 0 HB3 GLU A 644 -6.194 7.714 -1.490 1.00 0.25 H new ATOM 0 HG2 GLU A 644 -6.990 9.940 -0.098 1.00 0.33 H new ATOM 0 HG3 GLU A 644 -5.282 9.899 0.293 1.00 0.33 H new ATOM 845 N ILE A 645 -9.271 8.366 -0.247 1.00 0.27 N ATOM 846 CA ILE A 645 -10.434 9.239 -0.143 1.00 0.31 C ATOM 847 C ILE A 645 -11.352 8.794 0.996 1.00 0.31 C ATOM 848 O ILE A 645 -11.888 9.621 1.731 1.00 0.35 O ATOM 849 CB ILE A 645 -11.228 9.264 -1.468 1.00 0.36 C ATOM 850 CG1 ILE A 645 -10.549 10.197 -2.473 1.00 0.44 C ATOM 851 CG2 ILE A 645 -12.671 9.692 -1.234 1.00 0.43 C ATOM 852 CD1 ILE A 645 -11.030 10.011 -3.895 1.00 0.51 C ATOM 0 H ILE A 645 -9.280 7.750 -1.060 1.00 0.27 H new ATOM 0 HA ILE A 645 -10.070 10.244 0.069 1.00 0.31 H new ATOM 0 HB ILE A 645 -11.240 8.254 -1.877 1.00 0.36 H new ATOM 0 HG12 ILE A 645 -10.723 11.230 -2.172 1.00 0.44 H new ATOM 0 HG13 ILE A 645 -9.472 10.032 -2.438 1.00 0.44 H new ATOM 0 HG21 ILE A 645 -13.206 9.701 -2.183 1.00 0.43 H new ATOM 0 HG22 ILE A 645 -13.152 8.991 -0.552 1.00 0.43 H new ATOM 0 HG23 ILE A 645 -12.688 10.691 -0.799 1.00 0.43 H new ATOM 0 HD11 ILE A 645 -10.505 10.706 -4.551 1.00 0.51 H new ATOM 0 HD12 ILE A 645 -10.831 8.988 -4.216 1.00 0.51 H new ATOM 0 HD13 ILE A 645 -12.101 10.205 -3.945 1.00 0.51 H new ATOM 864 N GLU A 646 -11.530 7.484 1.134 1.00 0.30 N ATOM 865 CA GLU A 646 -12.385 6.937 2.180 1.00 0.33 C ATOM 866 C GLU A 646 -11.711 7.029 3.549 1.00 0.27 C ATOM 867 O GLU A 646 -12.383 7.101 4.577 1.00 0.29 O ATOM 868 CB GLU A 646 -12.739 5.480 1.870 1.00 0.41 C ATOM 869 CG GLU A 646 -14.180 5.121 2.192 1.00 0.70 C ATOM 870 CD GLU A 646 -15.136 5.452 1.062 1.00 1.38 C ATOM 871 OE1 GLU A 646 -14.825 6.365 0.270 1.00 1.99 O ATOM 872 OE2 GLU A 646 -16.196 4.797 0.968 1.00 1.90 O ATOM 0 H GLU A 646 -11.094 6.783 0.535 1.00 0.30 H new ATOM 0 HA GLU A 646 -13.299 7.530 2.208 1.00 0.33 H new ATOM 0 HB2 GLU A 646 -12.553 5.287 0.814 1.00 0.41 H new ATOM 0 HB3 GLU A 646 -12.076 4.826 2.435 1.00 0.41 H new ATOM 0 HG2 GLU A 646 -14.243 4.056 2.415 1.00 0.70 H new ATOM 0 HG3 GLU A 646 -14.490 5.653 3.091 1.00 0.70 H new ATOM 879 N GLY A 647 -10.380 7.019 3.552 1.00 0.23 N ATOM 880 CA GLY A 647 -9.639 7.093 4.800 1.00 0.25 C ATOM 881 C GLY A 647 -9.232 8.508 5.170 1.00 0.28 C ATOM 882 O GLY A 647 -9.711 9.059 6.160 1.00 0.65 O ATOM 0 H GLY A 647 -9.802 6.961 2.713 1.00 0.23 H new ATOM 0 HA2 GLY A 647 -10.248 6.675 5.602 1.00 0.25 H new ATOM 0 HA3 GLY A 647 -8.746 6.473 4.722 1.00 0.25 H new ATOM 886 N ASP A 648 -8.331 9.089 4.382 1.00 0.46 N ATOM 887 CA ASP A 648 -7.843 10.442 4.643 1.00 0.53 C ATOM 888 C ASP A 648 -8.688 11.499 3.932 1.00 0.61 C ATOM 889 O ASP A 648 -8.217 12.606 3.672 1.00 1.12 O ATOM 890 CB ASP A 648 -6.384 10.567 4.205 1.00 0.61 C ATOM 891 CG ASP A 648 -5.452 10.846 5.369 1.00 1.01 C ATOM 892 OD1 ASP A 648 -5.667 11.856 6.072 1.00 1.46 O ATOM 893 OD2 ASP A 648 -4.509 10.055 5.577 1.00 1.40 O ATOM 0 H ASP A 648 -7.924 8.646 3.559 1.00 0.46 H new ATOM 0 HA ASP A 648 -7.921 10.618 5.716 1.00 0.53 H new ATOM 0 HB2 ASP A 648 -6.076 9.646 3.709 1.00 0.61 H new ATOM 0 HB3 ASP A 648 -6.295 11.369 3.472 1.00 0.61 H new ATOM 898 N ARG A 649 -9.936 11.154 3.629 1.00 0.57 N ATOM 899 CA ARG A 649 -10.853 12.076 2.957 1.00 0.66 C ATOM 900 C ARG A 649 -10.332 12.494 1.581 1.00 0.72 C ATOM 901 O ARG A 649 -10.929 13.343 0.919 1.00 0.89 O ATOM 902 CB ARG A 649 -11.091 13.316 3.823 1.00 0.76 C ATOM 903 CG ARG A 649 -12.493 13.890 3.689 1.00 0.97 C ATOM 904 CD ARG A 649 -13.473 13.181 4.609 1.00 1.41 C ATOM 905 NE ARG A 649 -14.012 14.077 5.629 1.00 1.88 N ATOM 906 CZ ARG A 649 -15.076 13.793 6.373 1.00 2.63 C ATOM 907 NH1 ARG A 649 -15.716 12.643 6.211 1.00 2.98 N ATOM 908 NH2 ARG A 649 -15.503 14.660 7.282 1.00 3.19 N ATOM 0 H ARG A 649 -10.339 10.240 3.838 1.00 0.57 H new ATOM 0 HA ARG A 649 -11.796 11.549 2.812 1.00 0.66 H new ATOM 0 HB2 ARG A 649 -10.910 13.060 4.867 1.00 0.76 H new ATOM 0 HB3 ARG A 649 -10.366 14.083 3.552 1.00 0.76 H new ATOM 0 HG2 ARG A 649 -12.476 14.954 3.924 1.00 0.97 H new ATOM 0 HG3 ARG A 649 -12.829 13.797 2.656 1.00 0.97 H new ATOM 0 HD2 ARG A 649 -14.292 12.769 4.019 1.00 1.41 H new ATOM 0 HD3 ARG A 649 -12.974 12.341 5.092 1.00 1.41 H new ATOM 0 HE ARG A 649 -13.545 14.971 5.779 1.00 1.88 H new ATOM 0 HH11 ARG A 649 -15.392 11.973 5.514 1.00 2.98 H new ATOM 0 HH12 ARG A 649 -16.532 12.428 6.784 1.00 2.98 H new ATOM 0 HH21 ARG A 649 -15.015 15.546 7.411 1.00 3.19 H new ATOM 0 HH22 ARG A 649 -16.320 14.440 7.852 1.00 3.19 H new ATOM 922 N GLY A 650 -9.227 11.891 1.153 1.00 0.76 N ATOM 923 CA GLY A 650 -8.661 12.217 -0.146 1.00 0.89 C ATOM 924 C GLY A 650 -7.813 13.475 -0.124 1.00 0.90 C ATOM 925 O GLY A 650 -6.935 13.652 -0.968 1.00 1.02 O ATOM 0 H GLY A 650 -8.714 11.184 1.680 1.00 0.76 H new ATOM 0 HA2 GLY A 650 -8.052 11.381 -0.491 1.00 0.89 H new ATOM 0 HA3 GLY A 650 -9.469 12.342 -0.867 1.00 0.89 H new ATOM 929 N ALA A 651 -8.081 14.354 0.838 1.00 0.85 N ATOM 930 CA ALA A 651 -7.339 15.604 0.961 1.00 0.93 C ATOM 931 C ALA A 651 -5.851 15.349 1.180 1.00 0.91 C ATOM 932 O ALA A 651 -5.029 16.257 1.046 1.00 1.04 O ATOM 933 CB ALA A 651 -7.903 16.442 2.098 1.00 0.99 C ATOM 0 H ALA A 651 -8.806 14.223 1.543 1.00 0.85 H new ATOM 0 HA ALA A 651 -7.450 16.152 0.026 1.00 0.93 H new ATOM 0 HB1 ALA A 651 -7.340 17.372 2.179 1.00 0.99 H new ATOM 0 HB2 ALA A 651 -8.950 16.668 1.898 1.00 0.99 H new ATOM 0 HB3 ALA A 651 -7.823 15.887 3.033 1.00 0.99 H new ATOM 939 N SER A 652 -5.510 14.109 1.517 1.00 0.82 N ATOM 940 CA SER A 652 -4.121 13.733 1.755 1.00 0.89 C ATOM 941 C SER A 652 -3.292 13.857 0.480 1.00 1.07 C ATOM 942 O SER A 652 -2.062 13.878 0.531 1.00 1.98 O ATOM 943 CB SER A 652 -4.047 12.301 2.287 1.00 0.80 C ATOM 944 OG SER A 652 -3.170 12.214 3.396 1.00 1.30 O ATOM 0 H SER A 652 -6.178 13.347 1.632 1.00 0.82 H new ATOM 0 HA SER A 652 -3.709 14.415 2.499 1.00 0.89 H new ATOM 0 HB2 SER A 652 -5.042 11.966 2.579 1.00 0.80 H new ATOM 0 HB3 SER A 652 -3.706 11.633 1.496 1.00 0.80 H new ATOM 0 HG SER A 652 -3.261 11.334 3.817 1.00 1.30 H new ATOM 950 N LYS A 653 -3.976 13.939 -0.660 1.00 0.61 N ATOM 951 CA LYS A 653 -3.315 14.063 -1.958 1.00 0.69 C ATOM 952 C LYS A 653 -2.462 12.831 -2.261 1.00 0.53 C ATOM 953 O LYS A 653 -2.905 11.919 -2.959 1.00 0.60 O ATOM 954 CB LYS A 653 -2.459 15.332 -2.006 1.00 0.94 C ATOM 955 CG LYS A 653 -1.977 15.692 -3.402 1.00 1.24 C ATOM 956 CD LYS A 653 -3.108 16.237 -4.259 1.00 1.67 C ATOM 957 CE LYS A 653 -2.663 17.439 -5.076 1.00 2.12 C ATOM 958 NZ LYS A 653 -1.497 17.120 -5.946 1.00 2.50 N ATOM 0 H LYS A 653 -4.995 13.922 -0.711 1.00 0.61 H new ATOM 0 HA LYS A 653 -4.088 14.135 -2.723 1.00 0.69 H new ATOM 0 HB2 LYS A 653 -3.037 16.165 -1.605 1.00 0.94 H new ATOM 0 HB3 LYS A 653 -1.594 15.201 -1.355 1.00 0.94 H new ATOM 0 HG2 LYS A 653 -1.181 16.434 -3.333 1.00 1.24 H new ATOM 0 HG3 LYS A 653 -1.550 14.810 -3.879 1.00 1.24 H new ATOM 0 HD2 LYS A 653 -3.468 15.455 -4.928 1.00 1.67 H new ATOM 0 HD3 LYS A 653 -3.945 16.520 -3.621 1.00 1.67 H new ATOM 0 HE2 LYS A 653 -3.492 17.785 -5.693 1.00 2.12 H new ATOM 0 HE3 LYS A 653 -2.402 18.257 -4.405 1.00 2.12 H new ATOM 0 HZ1 LYS A 653 -1.331 17.906 -6.606 1.00 2.50 H new ATOM 0 HZ2 LYS A 653 -0.652 16.979 -5.356 1.00 2.50 H new ATOM 0 HZ3 LYS A 653 -1.693 16.252 -6.484 1.00 2.50 H new ATOM 972 N ASN A 654 -1.240 12.807 -1.733 1.00 0.43 N ATOM 973 CA ASN A 654 -0.337 11.683 -1.950 1.00 0.36 C ATOM 974 C ASN A 654 -0.897 10.412 -1.319 1.00 0.31 C ATOM 975 O ASN A 654 -1.078 10.339 -0.104 1.00 0.36 O ATOM 976 CB ASN A 654 1.044 11.992 -1.368 1.00 0.46 C ATOM 977 CG ASN A 654 2.136 11.968 -2.421 1.00 0.85 C ATOM 978 OD1 ASN A 654 1.868 12.112 -3.613 1.00 1.63 O ATOM 979 ND2 ASN A 654 3.377 11.787 -1.983 1.00 1.50 N ATOM 0 H ASN A 654 -0.855 13.552 -1.153 1.00 0.43 H new ATOM 0 HA ASN A 654 -0.241 11.524 -3.024 1.00 0.36 H new ATOM 0 HB2 ASN A 654 1.023 12.973 -0.893 1.00 0.46 H new ATOM 0 HB3 ASN A 654 1.278 11.265 -0.590 1.00 0.46 H new ATOM 0 HD21 ASN A 654 4.153 11.763 -2.645 1.00 1.50 H new ATOM 0 HD22 ASN A 654 3.554 11.672 -0.985 1.00 1.50 H new ATOM 986 N TRP A 655 -1.173 9.417 -2.154 1.00 0.29 N ATOM 987 CA TRP A 655 -1.719 8.151 -1.680 1.00 0.30 C ATOM 988 C TRP A 655 -0.627 7.262 -1.093 1.00 0.29 C ATOM 989 O TRP A 655 -0.909 6.361 -0.304 1.00 0.32 O ATOM 990 CB TRP A 655 -2.434 7.419 -2.820 1.00 0.33 C ATOM 991 CG TRP A 655 -1.611 7.301 -4.068 1.00 0.34 C ATOM 992 CD1 TRP A 655 -1.685 8.097 -5.174 1.00 0.36 C ATOM 993 CD2 TRP A 655 -0.591 6.330 -4.340 1.00 0.37 C ATOM 994 NE1 TRP A 655 -0.774 7.683 -6.116 1.00 0.39 N ATOM 995 CE2 TRP A 655 -0.091 6.601 -5.628 1.00 0.40 C ATOM 996 CE3 TRP A 655 -0.051 5.259 -3.621 1.00 0.40 C ATOM 997 CZ2 TRP A 655 0.922 5.841 -6.209 1.00 0.46 C ATOM 998 CZ3 TRP A 655 0.954 4.506 -4.199 1.00 0.46 C ATOM 999 CH2 TRP A 655 1.431 4.801 -5.482 1.00 0.49 C ATOM 0 H TRP A 655 -1.028 9.462 -3.163 1.00 0.29 H new ATOM 0 HA TRP A 655 -2.438 8.373 -0.891 1.00 0.30 H new ATOM 0 HB2 TRP A 655 -2.711 6.420 -2.482 1.00 0.33 H new ATOM 0 HB3 TRP A 655 -3.360 7.945 -3.054 1.00 0.33 H new ATOM 0 HD1 TRP A 655 -2.361 8.931 -5.292 1.00 0.36 H new ATOM 0 HE1 TRP A 655 -0.630 8.112 -7.030 1.00 0.39 H new ATOM 0 HE3 TRP A 655 -0.413 5.024 -2.631 1.00 0.40 H new ATOM 0 HZ2 TRP A 655 1.292 6.065 -7.199 1.00 0.46 H new ATOM 0 HZ3 TRP A 655 1.378 3.677 -3.652 1.00 0.46 H new ATOM 0 HH2 TRP A 655 2.217 4.194 -5.906 1.00 0.49 H new ATOM 1010 N LYS A 656 0.620 7.517 -1.483 1.00 0.28 N ATOM 1011 CA LYS A 656 1.744 6.729 -0.989 1.00 0.31 C ATOM 1012 C LYS A 656 1.910 6.902 0.516 1.00 0.25 C ATOM 1013 O LYS A 656 2.501 6.060 1.185 1.00 0.26 O ATOM 1014 CB LYS A 656 3.037 7.133 -1.701 1.00 0.43 C ATOM 1015 CG LYS A 656 2.896 7.247 -3.209 1.00 0.42 C ATOM 1016 CD LYS A 656 3.976 8.136 -3.802 1.00 0.81 C ATOM 1017 CE LYS A 656 4.043 8.000 -5.315 1.00 0.81 C ATOM 1018 NZ LYS A 656 5.395 8.329 -5.843 1.00 1.34 N ATOM 0 H LYS A 656 0.876 8.258 -2.135 1.00 0.28 H new ATOM 0 HA LYS A 656 1.534 5.680 -1.199 1.00 0.31 H new ATOM 0 HB2 LYS A 656 3.376 8.090 -1.304 1.00 0.43 H new ATOM 0 HB3 LYS A 656 3.811 6.401 -1.472 1.00 0.43 H new ATOM 0 HG2 LYS A 656 2.953 6.255 -3.657 1.00 0.42 H new ATOM 0 HG3 LYS A 656 1.914 7.652 -3.454 1.00 0.42 H new ATOM 0 HD2 LYS A 656 3.779 9.175 -3.538 1.00 0.81 H new ATOM 0 HD3 LYS A 656 4.942 7.875 -3.369 1.00 0.81 H new ATOM 0 HE2 LYS A 656 3.780 6.981 -5.600 1.00 0.81 H new ATOM 0 HE3 LYS A 656 3.305 8.659 -5.772 1.00 0.81 H new ATOM 0 HZ1 LYS A 656 5.455 8.048 -6.843 1.00 1.34 H new ATOM 0 HZ2 LYS A 656 5.560 9.352 -5.760 1.00 1.34 H new ATOM 0 HZ3 LYS A 656 6.116 7.817 -5.296 1.00 1.34 H new ATOM 1032 N LEU A 657 1.380 7.999 1.044 1.00 0.24 N ATOM 1033 CA LEU A 657 1.467 8.280 2.473 1.00 0.27 C ATOM 1034 C LEU A 657 0.087 8.253 3.118 1.00 0.26 C ATOM 1035 O LEU A 657 -0.044 8.002 4.316 1.00 0.33 O ATOM 1036 CB LEU A 657 2.127 9.640 2.709 1.00 0.36 C ATOM 1037 CG LEU A 657 3.646 9.662 2.530 1.00 0.39 C ATOM 1038 CD1 LEU A 657 4.139 11.085 2.315 1.00 0.52 C ATOM 1039 CD2 LEU A 657 4.332 9.033 3.735 1.00 0.50 C ATOM 0 H LEU A 657 0.885 8.709 0.504 1.00 0.24 H new ATOM 0 HA LEU A 657 2.078 7.503 2.933 1.00 0.27 H new ATOM 0 HB2 LEU A 657 1.685 10.365 2.025 1.00 0.36 H new ATOM 0 HB3 LEU A 657 1.891 9.971 3.720 1.00 0.36 H new ATOM 0 HG LEU A 657 3.898 9.077 1.646 1.00 0.39 H new ATOM 0 HD11 LEU A 657 5.222 11.080 2.190 1.00 0.52 H new ATOM 0 HD12 LEU A 657 3.672 11.501 1.422 1.00 0.52 H new ATOM 0 HD13 LEU A 657 3.877 11.695 3.179 1.00 0.52 H new ATOM 0 HD21 LEU A 657 5.412 9.056 3.592 1.00 0.50 H new ATOM 0 HD22 LEU A 657 4.073 9.592 4.634 1.00 0.50 H new ATOM 0 HD23 LEU A 657 4.003 8.000 3.843 1.00 0.50 H new ATOM 1051 N SER A 658 -0.939 8.517 2.316 1.00 0.24 N ATOM 1052 CA SER A 658 -2.312 8.529 2.804 1.00 0.29 C ATOM 1053 C SER A 658 -2.711 7.169 3.373 1.00 0.25 C ATOM 1054 O SER A 658 -3.565 7.082 4.255 1.00 0.30 O ATOM 1055 CB SER A 658 -3.270 8.919 1.678 1.00 0.34 C ATOM 1056 OG SER A 658 -4.570 9.165 2.180 1.00 1.18 O ATOM 0 H SER A 658 -0.844 8.726 1.322 1.00 0.24 H new ATOM 0 HA SER A 658 -2.374 9.266 3.604 1.00 0.29 H new ATOM 0 HB2 SER A 658 -2.898 9.809 1.171 1.00 0.34 H new ATOM 0 HB3 SER A 658 -3.308 8.122 0.936 1.00 0.34 H new ATOM 0 HG SER A 658 -5.087 8.333 2.170 1.00 1.18 H new ATOM 1062 N ILE A 659 -2.090 6.109 2.861 1.00 0.18 N ATOM 1063 CA ILE A 659 -2.388 4.756 3.318 1.00 0.15 C ATOM 1064 C ILE A 659 -1.143 4.070 3.870 1.00 0.13 C ATOM 1065 O ILE A 659 -0.041 4.254 3.356 1.00 0.13 O ATOM 1066 CB ILE A 659 -2.965 3.894 2.178 1.00 0.17 C ATOM 1067 CG1 ILE A 659 -4.087 4.643 1.459 1.00 0.20 C ATOM 1068 CG2 ILE A 659 -3.470 2.565 2.722 1.00 0.18 C ATOM 1069 CD1 ILE A 659 -4.431 4.058 0.107 1.00 0.27 C ATOM 0 H ILE A 659 -1.379 6.162 2.131 1.00 0.18 H new ATOM 0 HA ILE A 659 -3.130 4.850 4.111 1.00 0.15 H new ATOM 0 HB ILE A 659 -2.171 3.692 1.459 1.00 0.17 H new ATOM 0 HG12 ILE A 659 -4.978 4.637 2.087 1.00 0.20 H new ATOM 0 HG13 ILE A 659 -3.794 5.685 1.332 1.00 0.20 H new ATOM 0 HG21 ILE A 659 -3.874 1.968 1.905 1.00 0.18 H new ATOM 0 HG22 ILE A 659 -2.646 2.027 3.191 1.00 0.18 H new ATOM 0 HG23 ILE A 659 -4.252 2.747 3.460 1.00 0.18 H new ATOM 0 HD11 ILE A 659 -5.234 4.638 -0.347 1.00 0.27 H new ATOM 0 HD12 ILE A 659 -3.552 4.089 -0.537 1.00 0.27 H new ATOM 0 HD13 ILE A 659 -4.755 3.024 0.229 1.00 0.27 H new ATOM 1081 N ARG A 660 -1.331 3.268 4.915 1.00 0.17 N ATOM 1082 CA ARG A 660 -0.231 2.540 5.537 1.00 0.17 C ATOM 1083 C ARG A 660 -0.288 1.062 5.157 1.00 0.20 C ATOM 1084 O ARG A 660 -1.310 0.580 4.670 1.00 0.20 O ATOM 1085 CB ARG A 660 -0.276 2.686 7.063 1.00 0.19 C ATOM 1086 CG ARG A 660 -0.796 4.035 7.543 1.00 0.18 C ATOM 1087 CD ARG A 660 -0.420 4.286 8.996 1.00 0.32 C ATOM 1088 NE ARG A 660 -0.708 5.657 9.408 1.00 0.66 N ATOM 1089 CZ ARG A 660 -0.937 6.017 10.669 1.00 1.09 C ATOM 1090 NH1 ARG A 660 -0.916 5.110 11.637 1.00 1.74 N ATOM 1091 NH2 ARG A 660 -1.188 7.286 10.962 1.00 1.43 N ATOM 0 H ARG A 660 -2.239 3.106 5.350 1.00 0.17 H new ATOM 0 HA ARG A 660 0.704 2.965 5.173 1.00 0.17 H new ATOM 0 HB2 ARG A 660 -0.907 1.898 7.474 1.00 0.19 H new ATOM 0 HB3 ARG A 660 0.727 2.532 7.462 1.00 0.19 H new ATOM 0 HG2 ARG A 660 -0.388 4.828 6.917 1.00 0.18 H new ATOM 0 HG3 ARG A 660 -1.880 4.069 7.434 1.00 0.18 H new ATOM 0 HD2 ARG A 660 -0.966 3.593 9.636 1.00 0.32 H new ATOM 0 HD3 ARG A 660 0.641 4.081 9.136 1.00 0.32 H new ATOM 0 HE ARG A 660 -0.735 6.380 8.689 1.00 0.66 H new ATOM 0 HH11 ARG A 660 -0.724 4.133 11.416 1.00 1.74 H new ATOM 0 HH12 ARG A 660 -1.092 5.390 12.602 1.00 1.74 H new ATOM 0 HH21 ARG A 660 -1.206 7.987 10.221 1.00 1.43 H new ATOM 0 HH22 ARG A 660 -1.363 7.561 11.928 1.00 1.43 H new ATOM 1105 N CYS A 661 0.811 0.349 5.378 1.00 0.25 N ATOM 1106 CA CYS A 661 0.874 -1.073 5.054 1.00 0.29 C ATOM 1107 C CYS A 661 1.528 -1.864 6.183 1.00 0.33 C ATOM 1108 O CYS A 661 2.754 -1.929 6.277 1.00 0.36 O ATOM 1109 CB CYS A 661 1.654 -1.282 3.756 1.00 0.33 C ATOM 1110 SG CYS A 661 0.868 -2.422 2.595 1.00 1.57 S ATOM 0 H CYS A 661 1.668 0.730 5.779 1.00 0.25 H new ATOM 0 HA CYS A 661 -0.146 -1.436 4.926 1.00 0.29 H new ATOM 0 HB2 CYS A 661 1.788 -0.317 3.266 1.00 0.33 H new ATOM 0 HB3 CYS A 661 2.648 -1.657 3.999 1.00 0.33 H new ATOM 0 HG CYS A 661 0.547 -3.519 3.214 1.00 1.57 H new ATOM 1116 N GLY A 662 0.701 -2.465 7.035 1.00 0.36 N ATOM 1117 CA GLY A 662 1.213 -3.246 8.151 1.00 0.42 C ATOM 1118 C GLY A 662 2.064 -2.421 9.100 1.00 0.38 C ATOM 1119 O GLY A 662 2.604 -2.945 10.074 1.00 0.54 O ATOM 0 H GLY A 662 -0.316 -2.425 6.973 1.00 0.36 H new ATOM 0 HA2 GLY A 662 0.377 -3.678 8.701 1.00 0.42 H new ATOM 0 HA3 GLY A 662 1.805 -4.077 7.767 1.00 0.42 H new ATOM 1123 N GLY A 663 2.184 -1.130 8.809 1.00 0.34 N ATOM 1124 CA GLY A 663 2.976 -0.245 9.642 1.00 0.29 C ATOM 1125 C GLY A 663 3.473 0.964 8.876 1.00 0.23 C ATOM 1126 O GLY A 663 3.173 2.102 9.238 1.00 0.27 O ATOM 0 H GLY A 663 1.744 -0.679 8.007 1.00 0.34 H new ATOM 0 HA2 GLY A 663 2.378 0.085 10.491 1.00 0.29 H new ATOM 0 HA3 GLY A 663 3.827 -0.793 10.046 1.00 0.29 H new ATOM 1130 N TYR A 664 4.233 0.717 7.812 1.00 0.20 N ATOM 1131 CA TYR A 664 4.769 1.794 6.989 1.00 0.17 C ATOM 1132 C TYR A 664 3.939 1.973 5.722 1.00 0.15 C ATOM 1133 O TYR A 664 3.504 0.996 5.110 1.00 0.17 O ATOM 1134 CB TYR A 664 6.227 1.507 6.626 1.00 0.22 C ATOM 1135 CG TYR A 664 7.138 1.380 7.827 1.00 0.31 C ATOM 1136 CD1 TYR A 664 7.575 2.506 8.513 1.00 0.45 C ATOM 1137 CD2 TYR A 664 7.559 0.133 8.275 1.00 0.48 C ATOM 1138 CE1 TYR A 664 8.408 2.394 9.610 1.00 0.59 C ATOM 1139 CE2 TYR A 664 8.391 0.013 9.372 1.00 0.61 C ATOM 1140 CZ TYR A 664 8.812 1.147 10.036 1.00 0.62 C ATOM 1141 OH TYR A 664 9.641 1.032 11.129 1.00 0.78 O ATOM 0 H TYR A 664 4.491 -0.220 7.501 1.00 0.20 H new ATOM 0 HA TYR A 664 4.722 2.719 7.564 1.00 0.17 H new ATOM 0 HB2 TYR A 664 6.273 0.585 6.047 1.00 0.22 H new ATOM 0 HB3 TYR A 664 6.596 2.306 5.983 1.00 0.22 H new ATOM 0 HD1 TYR A 664 7.259 3.485 8.184 1.00 0.45 H new ATOM 0 HD2 TYR A 664 7.231 -0.756 7.757 1.00 0.48 H new ATOM 0 HE1 TYR A 664 8.741 3.279 10.131 1.00 0.59 H new ATOM 0 HE2 TYR A 664 8.710 -0.963 9.708 1.00 0.61 H new ATOM 0 HH TYR A 664 9.830 0.085 11.298 1.00 0.78 H new ATOM 1151 N THR A 665 3.723 3.225 5.333 1.00 0.14 N ATOM 1152 CA THR A 665 2.943 3.538 4.141 1.00 0.14 C ATOM 1153 C THR A 665 3.629 3.020 2.880 1.00 0.16 C ATOM 1154 O THR A 665 4.796 2.635 2.916 1.00 0.23 O ATOM 1155 CB THR A 665 2.725 5.056 4.002 1.00 0.16 C ATOM 1156 OG1 THR A 665 3.971 5.711 3.736 1.00 0.21 O ATOM 1157 CG2 THR A 665 2.106 5.630 5.269 1.00 0.26 C ATOM 0 H THR A 665 4.079 4.043 5.828 1.00 0.14 H new ATOM 0 HA THR A 665 1.978 3.044 4.255 1.00 0.14 H new ATOM 0 HB THR A 665 2.042 5.227 3.170 1.00 0.16 H new ATOM 0 HG1 THR A 665 3.948 6.106 2.839 1.00 0.21 H new ATOM 0 HG21 THR A 665 1.961 6.704 5.149 1.00 0.26 H new ATOM 0 HG22 THR A 665 1.144 5.152 5.453 1.00 0.26 H new ATOM 0 HG23 THR A 665 2.770 5.446 6.114 1.00 0.26 H new ATOM 1165 N LEU A 666 2.897 3.018 1.765 1.00 0.16 N ATOM 1166 CA LEU A 666 3.448 2.552 0.495 1.00 0.19 C ATOM 1167 C LEU A 666 4.675 3.369 0.123 1.00 0.21 C ATOM 1168 O LEU A 666 5.575 2.881 -0.556 1.00 0.24 O ATOM 1169 CB LEU A 666 2.407 2.637 -0.628 1.00 0.21 C ATOM 1170 CG LEU A 666 1.208 1.691 -0.494 1.00 0.20 C ATOM 1171 CD1 LEU A 666 1.656 0.290 -0.098 1.00 0.20 C ATOM 1172 CD2 LEU A 666 0.226 2.239 0.525 1.00 0.25 C ATOM 0 H LEU A 666 1.928 3.332 1.717 1.00 0.16 H new ATOM 0 HA LEU A 666 3.733 1.507 0.618 1.00 0.19 H new ATOM 0 HB2 LEU A 666 2.035 3.661 -0.678 1.00 0.21 H new ATOM 0 HB3 LEU A 666 2.904 2.432 -1.576 1.00 0.21 H new ATOM 0 HG LEU A 666 0.715 1.624 -1.464 1.00 0.20 H new ATOM 0 HD11 LEU A 666 0.785 -0.359 -0.010 1.00 0.20 H new ATOM 0 HD12 LEU A 666 2.328 -0.106 -0.859 1.00 0.20 H new ATOM 0 HD13 LEU A 666 2.176 0.331 0.859 1.00 0.20 H new ATOM 0 HD21 LEU A 666 -0.623 1.561 0.614 1.00 0.25 H new ATOM 0 HD22 LEU A 666 0.719 2.332 1.493 1.00 0.25 H new ATOM 0 HD23 LEU A 666 -0.125 3.219 0.202 1.00 0.25 H new ATOM 1184 N LYS A 667 4.707 4.615 0.582 1.00 0.20 N ATOM 1185 CA LYS A 667 5.829 5.499 0.311 1.00 0.23 C ATOM 1186 C LYS A 667 7.088 4.942 0.956 1.00 0.24 C ATOM 1187 O LYS A 667 8.179 5.004 0.388 1.00 0.29 O ATOM 1188 CB LYS A 667 5.549 6.905 0.840 1.00 0.25 C ATOM 1189 CG LYS A 667 6.154 8.003 -0.018 1.00 0.42 C ATOM 1190 CD LYS A 667 6.919 9.012 0.821 1.00 1.05 C ATOM 1191 CE LYS A 667 8.347 8.558 1.067 1.00 1.68 C ATOM 1192 NZ LYS A 667 9.243 8.893 -0.076 1.00 2.05 N ATOM 0 H LYS A 667 3.966 5.034 1.144 1.00 0.20 H new ATOM 0 HA LYS A 667 5.972 5.560 -0.768 1.00 0.23 H new ATOM 0 HB2 LYS A 667 4.471 7.054 0.901 1.00 0.25 H new ATOM 0 HB3 LYS A 667 5.941 6.989 1.854 1.00 0.25 H new ATOM 0 HG2 LYS A 667 6.823 7.561 -0.756 1.00 0.42 H new ATOM 0 HG3 LYS A 667 5.363 8.512 -0.569 1.00 0.42 H new ATOM 0 HD2 LYS A 667 6.924 9.978 0.316 1.00 1.05 H new ATOM 0 HD3 LYS A 667 6.411 9.154 1.775 1.00 1.05 H new ATOM 0 HE2 LYS A 667 8.726 9.028 1.975 1.00 1.68 H new ATOM 0 HE3 LYS A 667 8.361 7.481 1.236 1.00 1.68 H new ATOM 0 HZ1 LYS A 667 10.208 8.566 0.132 1.00 2.05 H new ATOM 0 HZ2 LYS A 667 8.897 8.424 -0.937 1.00 2.05 H new ATOM 0 HZ3 LYS A 667 9.250 9.923 -0.221 1.00 2.05 H new ATOM 1206 N VAL A 668 6.923 4.385 2.150 1.00 0.25 N ATOM 1207 CA VAL A 668 8.036 3.800 2.876 1.00 0.30 C ATOM 1208 C VAL A 668 8.368 2.424 2.319 1.00 0.30 C ATOM 1209 O VAL A 668 9.536 2.054 2.207 1.00 0.38 O ATOM 1210 CB VAL A 668 7.735 3.677 4.381 1.00 0.34 C ATOM 1211 CG1 VAL A 668 9.022 3.483 5.168 1.00 0.44 C ATOM 1212 CG2 VAL A 668 6.977 4.897 4.879 1.00 0.47 C ATOM 0 H VAL A 668 6.027 4.328 2.634 1.00 0.25 H new ATOM 0 HA VAL A 668 8.889 4.467 2.748 1.00 0.30 H new ATOM 0 HB VAL A 668 7.105 2.801 4.535 1.00 0.34 H new ATOM 0 HG11 VAL A 668 8.790 3.398 6.230 1.00 0.44 H new ATOM 0 HG12 VAL A 668 9.521 2.574 4.832 1.00 0.44 H new ATOM 0 HG13 VAL A 668 9.679 4.338 5.008 1.00 0.44 H new ATOM 0 HG21 VAL A 668 6.774 4.790 5.945 1.00 0.47 H new ATOM 0 HG22 VAL A 668 7.577 5.791 4.712 1.00 0.47 H new ATOM 0 HG23 VAL A 668 6.035 4.986 4.338 1.00 0.47 H new ATOM 1222 N LEU A 669 7.330 1.673 1.962 1.00 0.26 N ATOM 1223 CA LEU A 669 7.513 0.339 1.407 1.00 0.32 C ATOM 1224 C LEU A 669 8.167 0.427 0.036 1.00 0.38 C ATOM 1225 O LEU A 669 8.905 -0.472 -0.370 1.00 0.47 O ATOM 1226 CB LEU A 669 6.172 -0.383 1.298 1.00 0.36 C ATOM 1227 CG LEU A 669 5.871 -1.368 2.429 1.00 0.34 C ATOM 1228 CD1 LEU A 669 5.762 -0.636 3.758 1.00 0.36 C ATOM 1229 CD2 LEU A 669 4.595 -2.139 2.135 1.00 0.38 C ATOM 0 H LEU A 669 6.357 1.966 2.047 1.00 0.26 H new ATOM 0 HA LEU A 669 8.162 -0.227 2.075 1.00 0.32 H new ATOM 0 HB2 LEU A 669 5.377 0.362 1.265 1.00 0.36 H new ATOM 0 HB3 LEU A 669 6.143 -0.922 0.351 1.00 0.36 H new ATOM 0 HG LEU A 669 6.694 -2.079 2.497 1.00 0.34 H new ATOM 0 HD11 LEU A 669 5.548 -1.352 4.551 1.00 0.36 H new ATOM 0 HD12 LEU A 669 6.702 -0.128 3.972 1.00 0.36 H new ATOM 0 HD13 LEU A 669 4.958 0.098 3.704 1.00 0.36 H new ATOM 0 HD21 LEU A 669 4.395 -2.836 2.949 1.00 0.38 H new ATOM 0 HD22 LEU A 669 3.762 -1.442 2.041 1.00 0.38 H new ATOM 0 HD23 LEU A 669 4.711 -2.693 1.204 1.00 0.38 H new ATOM 1241 N MET A 670 7.909 1.526 -0.665 1.00 0.36 N ATOM 1242 CA MET A 670 8.496 1.737 -1.981 1.00 0.44 C ATOM 1243 C MET A 670 9.913 2.270 -1.828 1.00 0.47 C ATOM 1244 O MET A 670 10.678 2.329 -2.789 1.00 0.55 O ATOM 1245 CB MET A 670 7.643 2.700 -2.817 1.00 0.48 C ATOM 1246 CG MET A 670 7.713 4.151 -2.365 1.00 0.45 C ATOM 1247 SD MET A 670 8.185 5.279 -3.693 1.00 0.71 S ATOM 1248 CE MET A 670 6.945 4.910 -4.933 1.00 0.70 C ATOM 0 H MET A 670 7.301 2.280 -0.345 1.00 0.36 H new ATOM 0 HA MET A 670 8.528 0.783 -2.507 1.00 0.44 H new ATOM 0 HB2 MET A 670 7.962 2.640 -3.857 1.00 0.48 H new ATOM 0 HB3 MET A 670 6.605 2.371 -2.783 1.00 0.48 H new ATOM 0 HG2 MET A 670 6.743 4.450 -1.969 1.00 0.45 H new ATOM 0 HG3 MET A 670 8.431 4.238 -1.549 1.00 0.45 H new ATOM 0 HE1 MET A 670 6.801 5.780 -5.574 1.00 0.70 H new ATOM 0 HE2 MET A 670 7.275 4.065 -5.537 1.00 0.70 H new ATOM 0 HE3 MET A 670 6.004 4.661 -4.443 1.00 0.70 H new ATOM 1258 N GLU A 671 10.254 2.646 -0.599 1.00 0.42 N ATOM 1259 CA GLU A 671 11.579 3.165 -0.290 1.00 0.47 C ATOM 1260 C GLU A 671 12.480 2.053 0.241 1.00 0.51 C ATOM 1261 O GLU A 671 13.703 2.125 0.123 1.00 0.59 O ATOM 1262 CB GLU A 671 11.483 4.295 0.737 1.00 0.45 C ATOM 1263 CG GLU A 671 12.824 4.927 1.075 1.00 0.88 C ATOM 1264 CD GLU A 671 12.950 5.276 2.545 1.00 1.56 C ATOM 1265 OE1 GLU A 671 12.930 4.347 3.380 1.00 1.90 O ATOM 1266 OE2 GLU A 671 13.070 6.478 2.861 1.00 2.39 O ATOM 0 H GLU A 671 9.625 2.600 0.203 1.00 0.42 H new ATOM 0 HA GLU A 671 12.014 3.559 -1.208 1.00 0.47 H new ATOM 0 HB2 GLU A 671 10.814 5.066 0.355 1.00 0.45 H new ATOM 0 HB3 GLU A 671 11.033 3.907 1.651 1.00 0.45 H new ATOM 0 HG2 GLU A 671 13.625 4.241 0.798 1.00 0.88 H new ATOM 0 HG3 GLU A 671 12.957 5.830 0.478 1.00 0.88 H new ATOM 1273 N ASN A 672 11.869 1.025 0.829 1.00 0.47 N ATOM 1274 CA ASN A 672 12.623 -0.093 1.376 1.00 0.53 C ATOM 1275 C ASN A 672 12.998 -1.086 0.277 1.00 0.60 C ATOM 1276 O ASN A 672 14.156 -1.141 -0.138 1.00 0.72 O ATOM 1277 CB ASN A 672 11.821 -0.796 2.482 1.00 0.50 C ATOM 1278 CG ASN A 672 11.270 0.175 3.509 1.00 0.82 C ATOM 1279 OD1 ASN A 672 11.901 1.182 3.831 1.00 1.54 O ATOM 1280 ND2 ASN A 672 10.085 -0.127 4.030 1.00 0.62 N ATOM 0 H ASN A 672 10.858 0.947 0.937 1.00 0.47 H new ATOM 0 HA ASN A 672 13.542 0.299 1.810 1.00 0.53 H new ATOM 0 HB2 ASN A 672 10.997 -1.350 2.032 1.00 0.50 H new ATOM 0 HB3 ASN A 672 12.459 -1.524 2.982 1.00 0.50 H new ATOM 0 HD21 ASN A 672 9.663 0.487 4.727 1.00 0.62 H new ATOM 0 HD22 ASN A 672 9.598 -0.973 3.733 1.00 0.62 H new ATOM 1287 N LYS A 673 12.007 -1.854 -0.194 1.00 0.59 N ATOM 1288 CA LYS A 673 12.214 -2.850 -1.254 1.00 0.69 C ATOM 1289 C LYS A 673 11.052 -3.839 -1.306 1.00 0.68 C ATOM 1290 O LYS A 673 11.240 -5.009 -1.644 1.00 0.95 O ATOM 1291 CB LYS A 673 13.519 -3.626 -1.041 1.00 0.87 C ATOM 1292 CG LYS A 673 13.625 -4.283 0.326 1.00 0.94 C ATOM 1293 CD LYS A 673 14.726 -5.329 0.356 1.00 1.46 C ATOM 1294 CE LYS A 673 14.156 -6.735 0.439 1.00 1.87 C ATOM 1295 NZ LYS A 673 15.217 -7.773 0.319 1.00 2.62 N ATOM 0 H LYS A 673 11.046 -1.804 0.145 1.00 0.59 H new ATOM 0 HA LYS A 673 12.272 -2.307 -2.197 1.00 0.69 H new ATOM 0 HB2 LYS A 673 13.604 -4.393 -1.810 1.00 0.87 H new ATOM 0 HB3 LYS A 673 14.361 -2.946 -1.174 1.00 0.87 H new ATOM 0 HG2 LYS A 673 13.823 -3.523 1.082 1.00 0.94 H new ATOM 0 HG3 LYS A 673 12.673 -4.748 0.583 1.00 0.94 H new ATOM 0 HD2 LYS A 673 15.341 -5.237 -0.539 1.00 1.46 H new ATOM 0 HD3 LYS A 673 15.378 -5.148 1.211 1.00 1.46 H new ATOM 0 HE2 LYS A 673 13.633 -6.859 1.387 1.00 1.87 H new ATOM 0 HE3 LYS A 673 13.420 -6.875 -0.352 1.00 1.87 H new ATOM 0 HZ1 LYS A 673 14.787 -8.718 0.381 1.00 2.62 H new ATOM 0 HZ2 LYS A 673 15.700 -7.671 -0.596 1.00 2.62 H new ATOM 0 HZ3 LYS A 673 15.906 -7.656 1.089 1.00 2.62 H new