USER MOD reduce.3.24.130724 H: found=0, std=0, add=605, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 607 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 609 CYS SG : rot -138:sc= -4.84! USER MOD Set 1.2: A 658 SER OG : rot -100:sc= -0.32 USER MOD Set 2.1: A 599 ASN : amide:sc= -8.33! C(o=-16!,f=-12!) USER MOD Set 2.2: A 602 GLN : amide:sc= -7.68! K(o=-16!,f=-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 180:sc= -1.32 USER MOD Single : A 613 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 615 THR OG1 : rot 180:sc= 0 USER MOD Single : A 617 TYR OH : rot 180:sc= 0 USER MOD Single : A 618 LYS NZ :NH3+ -154:sc= -5.93! (180deg=-9.98!) USER MOD Single : A 622 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 623 GLN : amide:sc= -0.148 X(o=-0.15,f=-0.3) USER MOD Single : A 625 THR OG1 : rot -47:sc= 1.06 USER MOD Single : A 626 SER OG : rot 180:sc= 0 USER MOD Single : A 627 LYS NZ :NH3+ -145:sc= -1.83! (180deg=-4.18!) USER MOD Single : A 628 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 629 CYS SG : rot -51:sc= 1.24 USER MOD Single : A 631 GLN : amide:sc= -0.0212 K(o=-0.021,f=-0.92) 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= 0.0463 USER MOD Single : A 652 SER OG : rot 152:sc= 0.285 USER MOD Single : A 653 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 654 ASN : amide:sc= -0.125 K(o=-0.13,f=-1.8) USER MOD Single : A 656 LYS NZ :NH3+ 163:sc= -0.0137 (180deg=-0.172) USER MOD Single : A 661 CYS SG : rot 160:sc= -1.48 USER MOD Single : A 664 TYR OH : rot 180:sc= 0 USER MOD Single : A 665 THR OG1 : rot 122:sc= -1.27! USER MOD Single : A 667 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 670 MET CE :methyl 162:sc= -0.361 (180deg=-1.82) USER MOD Single : A 672 ASN : amide:sc= -5.09! C(o=-5.1!,f=-2.3!) USER MOD Single : A 673 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 61 N ILE A 598 6.374 -7.105 8.470 1.00 0.87 N ATOM 62 CA ILE A 598 5.513 -6.997 7.299 1.00 0.64 C ATOM 63 C ILE A 598 6.293 -7.215 6.012 1.00 0.66 C ATOM 64 O ILE A 598 6.976 -6.313 5.528 1.00 0.79 O ATOM 65 CB ILE A 598 4.807 -5.627 7.219 1.00 0.49 C ATOM 66 CG1 ILE A 598 4.122 -5.286 8.547 1.00 0.69 C ATOM 67 CG2 ILE A 598 3.803 -5.621 6.076 1.00 0.35 C ATOM 68 CD1 ILE A 598 3.120 -6.324 9.012 1.00 0.83 C ATOM 0 HA ILE A 598 4.760 -7.778 7.409 1.00 0.64 H new ATOM 0 HB ILE A 598 5.559 -4.862 7.026 1.00 0.49 H new ATOM 0 HG12 ILE A 598 4.885 -5.163 9.316 1.00 0.69 H new ATOM 0 HG13 ILE A 598 3.614 -4.327 8.446 1.00 0.69 H new ATOM 0 HG21 ILE A 598 3.311 -4.650 6.029 1.00 0.35 H new ATOM 0 HG22 ILE A 598 4.321 -5.811 5.136 1.00 0.35 H new ATOM 0 HG23 ILE A 598 3.057 -6.398 6.243 1.00 0.35 H new ATOM 0 HD11 ILE A 598 2.681 -6.007 9.958 1.00 0.83 H new ATOM 0 HD12 ILE A 598 2.334 -6.431 8.265 1.00 0.83 H new ATOM 0 HD13 ILE A 598 3.624 -7.281 9.148 1.00 0.83 H new ATOM 80 N ASN A 599 6.178 -8.414 5.456 1.00 0.73 N ATOM 81 CA ASN A 599 6.864 -8.743 4.216 1.00 0.83 C ATOM 82 C ASN A 599 6.049 -8.244 3.019 1.00 0.95 C ATOM 83 O ASN A 599 5.332 -7.249 3.130 1.00 1.52 O ATOM 84 CB ASN A 599 7.104 -10.253 4.131 1.00 0.98 C ATOM 85 CG ASN A 599 5.823 -11.039 3.927 1.00 1.45 C ATOM 86 OD1 ASN A 599 4.725 -10.523 4.131 1.00 2.10 O ATOM 87 ND2 ASN A 599 5.960 -12.296 3.525 1.00 2.19 N ATOM 0 H ASN A 599 5.617 -9.173 5.844 1.00 0.73 H new ATOM 0 HA ASN A 599 7.834 -8.246 4.198 1.00 0.83 H new ATOM 0 HB2 ASN A 599 7.789 -10.462 3.309 1.00 0.98 H new ATOM 0 HB3 ASN A 599 7.591 -10.591 5.045 1.00 0.98 H new ATOM 0 HD21 ASN A 599 5.135 -12.876 3.373 1.00 2.19 H new ATOM 0 HD22 ASN A 599 6.891 -12.683 3.368 1.00 2.19 H new ATOM 94 N PHE A 600 6.156 -8.924 1.880 1.00 0.69 N ATOM 95 CA PHE A 600 5.418 -8.518 0.689 1.00 0.82 C ATOM 96 C PHE A 600 5.040 -9.720 -0.171 1.00 0.89 C ATOM 97 O PHE A 600 4.403 -9.568 -1.214 1.00 1.04 O ATOM 98 CB PHE A 600 6.243 -7.527 -0.135 1.00 0.93 C ATOM 99 CG PHE A 600 7.468 -8.131 -0.762 1.00 1.05 C ATOM 100 CD1 PHE A 600 8.597 -8.392 -0.001 1.00 1.38 C ATOM 101 CD2 PHE A 600 7.493 -8.435 -2.115 1.00 1.21 C ATOM 102 CE1 PHE A 600 9.726 -8.945 -0.576 1.00 1.92 C ATOM 103 CE2 PHE A 600 8.618 -8.988 -2.695 1.00 1.63 C ATOM 104 CZ PHE A 600 9.736 -9.243 -1.925 1.00 2.02 C ATOM 0 H PHE A 600 6.741 -9.751 1.758 1.00 0.69 H new ATOM 0 HA PHE A 600 4.498 -8.035 1.019 1.00 0.82 H new ATOM 0 HB2 PHE A 600 5.613 -7.109 -0.920 1.00 0.93 H new ATOM 0 HB3 PHE A 600 6.545 -6.699 0.506 1.00 0.93 H new ATOM 0 HD1 PHE A 600 8.594 -8.160 1.054 1.00 1.38 H new ATOM 0 HD2 PHE A 600 6.622 -8.237 -2.722 1.00 1.21 H new ATOM 0 HE1 PHE A 600 10.599 -9.144 0.028 1.00 1.92 H new ATOM 0 HE2 PHE A 600 8.623 -9.221 -3.750 1.00 1.63 H new ATOM 0 HZ PHE A 600 10.617 -9.675 -2.377 1.00 2.02 H new ATOM 114 N LYS A 601 5.443 -10.910 0.261 1.00 0.87 N ATOM 115 CA LYS A 601 5.151 -12.125 -0.486 1.00 1.02 C ATOM 116 C LYS A 601 3.843 -12.768 -0.026 1.00 0.99 C ATOM 117 O LYS A 601 3.417 -13.784 -0.575 1.00 1.13 O ATOM 118 CB LYS A 601 6.304 -13.111 -0.336 1.00 1.16 C ATOM 119 CG LYS A 601 6.258 -13.910 0.952 1.00 1.16 C ATOM 120 CD LYS A 601 6.443 -15.385 0.672 1.00 1.78 C ATOM 121 CE LYS A 601 5.113 -16.081 0.433 1.00 2.40 C ATOM 122 NZ LYS A 601 5.024 -16.654 -0.939 1.00 3.20 N ATOM 0 H LYS A 601 5.971 -11.058 1.121 1.00 0.87 H new ATOM 0 HA LYS A 601 5.035 -11.857 -1.536 1.00 1.02 H new ATOM 0 HB2 LYS A 601 6.294 -13.799 -1.181 1.00 1.16 H new ATOM 0 HB3 LYS A 601 7.246 -12.565 -0.381 1.00 1.16 H new ATOM 0 HG2 LYS A 601 7.038 -13.563 1.630 1.00 1.16 H new ATOM 0 HG3 LYS A 601 5.304 -13.747 1.453 1.00 1.16 H new ATOM 0 HD2 LYS A 601 7.083 -15.513 -0.201 1.00 1.78 H new ATOM 0 HD3 LYS A 601 6.954 -15.854 1.513 1.00 1.78 H new ATOM 0 HE2 LYS A 601 4.982 -16.876 1.167 1.00 2.40 H new ATOM 0 HE3 LYS A 601 4.300 -15.371 0.583 1.00 2.40 H new ATOM 0 HZ1 LYS A 601 4.102 -17.120 -1.062 1.00 3.20 H new ATOM 0 HZ2 LYS A 601 5.123 -15.893 -1.640 1.00 3.20 H new ATOM 0 HZ3 LYS A 601 5.784 -17.350 -1.074 1.00 3.20 H new ATOM 136 N GLN A 602 3.206 -12.172 0.978 1.00 0.85 N ATOM 137 CA GLN A 602 1.949 -12.698 1.497 1.00 0.89 C ATOM 138 C GLN A 602 0.787 -12.336 0.579 1.00 0.98 C ATOM 139 O GLN A 602 0.679 -11.200 0.119 1.00 1.98 O ATOM 140 CB GLN A 602 1.685 -12.168 2.908 1.00 0.87 C ATOM 141 CG GLN A 602 2.624 -12.735 3.961 1.00 0.78 C ATOM 142 CD GLN A 602 2.885 -14.218 3.776 1.00 0.99 C ATOM 143 OE1 GLN A 602 2.158 -15.059 4.306 1.00 1.25 O ATOM 144 NE2 GLN A 602 3.926 -14.544 3.021 1.00 1.15 N ATOM 0 H GLN A 602 3.538 -11.329 1.446 1.00 0.85 H new ATOM 0 HA GLN A 602 2.033 -13.784 1.538 1.00 0.89 H new ATOM 0 HB2 GLN A 602 1.775 -11.082 2.901 1.00 0.87 H new ATOM 0 HB3 GLN A 602 0.657 -12.401 3.187 1.00 0.87 H new ATOM 0 HG2 GLN A 602 3.571 -12.196 3.925 1.00 0.78 H new ATOM 0 HG3 GLN A 602 2.198 -12.566 4.950 1.00 0.78 H new ATOM 0 HE21 GLN A 602 4.501 -13.813 2.602 1.00 1.15 H new ATOM 0 HE22 GLN A 602 4.152 -15.526 2.860 1.00 1.15 H new ATOM 153 N SER A 603 -0.078 -13.311 0.320 1.00 0.46 N ATOM 154 CA SER A 603 -1.234 -13.102 -0.545 1.00 0.46 C ATOM 155 C SER A 603 -2.167 -12.040 0.030 1.00 0.42 C ATOM 156 O SER A 603 -3.095 -11.590 -0.641 1.00 0.55 O ATOM 157 CB SER A 603 -1.995 -14.415 -0.735 1.00 0.52 C ATOM 158 OG SER A 603 -2.573 -14.851 0.483 1.00 1.06 O ATOM 0 H SER A 603 -0.000 -14.255 0.697 1.00 0.46 H new ATOM 0 HA SER A 603 -0.872 -12.752 -1.512 1.00 0.46 H new ATOM 0 HB2 SER A 603 -2.775 -14.281 -1.484 1.00 0.52 H new ATOM 0 HB3 SER A 603 -1.317 -15.180 -1.114 1.00 0.52 H new ATOM 0 HG SER A 603 -3.055 -15.691 0.334 1.00 1.06 H new ATOM 164 N GLU A 604 -1.915 -11.641 1.273 1.00 0.31 N ATOM 165 CA GLU A 604 -2.732 -10.631 1.932 1.00 0.30 C ATOM 166 C GLU A 604 -1.870 -9.674 2.747 1.00 0.27 C ATOM 167 O GLU A 604 -1.367 -10.028 3.813 1.00 0.38 O ATOM 168 CB GLU A 604 -3.770 -11.295 2.838 1.00 0.35 C ATOM 169 CG GLU A 604 -4.829 -12.075 2.079 1.00 0.51 C ATOM 170 CD GLU A 604 -5.773 -12.822 3.000 1.00 0.82 C ATOM 171 OE1 GLU A 604 -6.643 -12.170 3.614 1.00 1.48 O ATOM 172 OE2 GLU A 604 -5.642 -14.060 3.105 1.00 1.26 O ATOM 0 H GLU A 604 -1.151 -12.003 1.843 1.00 0.31 H new ATOM 0 HA GLU A 604 -3.245 -10.059 1.159 1.00 0.30 H new ATOM 0 HB2 GLU A 604 -3.261 -11.967 3.528 1.00 0.35 H new ATOM 0 HB3 GLU A 604 -4.257 -10.529 3.441 1.00 0.35 H new ATOM 0 HG2 GLU A 604 -5.402 -11.390 1.455 1.00 0.51 H new ATOM 0 HG3 GLU A 604 -4.343 -12.785 1.410 1.00 0.51 H new ATOM 179 N LEU A 605 -1.708 -8.457 2.238 1.00 0.20 N ATOM 180 CA LEU A 605 -0.913 -7.443 2.916 1.00 0.22 C ATOM 181 C LEU A 605 -1.818 -6.454 3.647 1.00 0.19 C ATOM 182 O LEU A 605 -2.515 -5.657 3.019 1.00 0.24 O ATOM 183 CB LEU A 605 -0.028 -6.702 1.909 1.00 0.27 C ATOM 184 CG LEU A 605 1.293 -6.167 2.468 1.00 0.38 C ATOM 185 CD1 LEU A 605 2.095 -7.285 3.120 1.00 1.26 C ATOM 186 CD2 LEU A 605 2.106 -5.502 1.367 1.00 1.04 C ATOM 0 H LEU A 605 -2.118 -8.150 1.356 1.00 0.20 H new ATOM 0 HA LEU A 605 -0.275 -7.938 3.649 1.00 0.22 H new ATOM 0 HB2 LEU A 605 0.193 -7.375 1.081 1.00 0.27 H new ATOM 0 HB3 LEU A 605 -0.595 -5.866 1.498 1.00 0.27 H new ATOM 0 HG LEU A 605 1.065 -5.421 3.230 1.00 0.38 H new ATOM 0 HD11 LEU A 605 3.030 -6.882 3.510 1.00 1.26 H new ATOM 0 HD12 LEU A 605 1.518 -7.719 3.937 1.00 1.26 H new ATOM 0 HD13 LEU A 605 2.313 -8.056 2.381 1.00 1.26 H new ATOM 0 HD21 LEU A 605 3.042 -5.127 1.782 1.00 1.04 H new ATOM 0 HD22 LEU A 605 2.321 -6.229 0.584 1.00 1.04 H new ATOM 0 HD23 LEU A 605 1.538 -4.673 0.946 1.00 1.04 H new ATOM 198 N PRO A 606 -1.825 -6.493 4.993 1.00 0.21 N ATOM 199 CA PRO A 606 -2.657 -5.598 5.803 1.00 0.21 C ATOM 200 C PRO A 606 -2.315 -4.129 5.584 1.00 0.20 C ATOM 201 O PRO A 606 -1.183 -3.702 5.809 1.00 0.34 O ATOM 202 CB PRO A 606 -2.347 -6.011 7.247 1.00 0.28 C ATOM 203 CG PRO A 606 -1.050 -6.742 7.173 1.00 0.44 C ATOM 204 CD PRO A 606 -1.030 -7.410 5.829 1.00 0.33 C ATOM 0 HA PRO A 606 -3.712 -5.687 5.543 1.00 0.21 H new ATOM 0 HB2 PRO A 606 -2.272 -5.140 7.898 1.00 0.28 H new ATOM 0 HB3 PRO A 606 -3.135 -6.646 7.653 1.00 0.28 H new ATOM 0 HG2 PRO A 606 -0.209 -6.057 7.281 1.00 0.44 H new ATOM 0 HG3 PRO A 606 -0.969 -7.476 7.975 1.00 0.44 H new ATOM 0 HD2 PRO A 606 -0.014 -7.524 5.450 1.00 0.33 H new ATOM 0 HD3 PRO A 606 -1.470 -8.406 5.867 1.00 0.33 H new ATOM 212 N VAL A 607 -3.308 -3.359 5.149 1.00 0.14 N ATOM 213 CA VAL A 607 -3.128 -1.935 4.904 1.00 0.13 C ATOM 214 C VAL A 607 -4.044 -1.122 5.809 1.00 0.10 C ATOM 215 O VAL A 607 -5.097 -1.601 6.227 1.00 0.11 O ATOM 216 CB VAL A 607 -3.410 -1.565 3.433 1.00 0.18 C ATOM 217 CG1 VAL A 607 -2.114 -1.492 2.642 1.00 0.37 C ATOM 218 CG2 VAL A 607 -4.373 -2.559 2.800 1.00 0.31 C ATOM 0 H VAL A 607 -4.250 -3.701 4.959 1.00 0.14 H new ATOM 0 HA VAL A 607 -2.086 -1.701 5.123 1.00 0.13 H new ATOM 0 HB VAL A 607 -3.879 -0.581 3.413 1.00 0.18 H new ATOM 0 HG11 VAL A 607 -2.334 -1.230 1.607 1.00 0.37 H new ATOM 0 HG12 VAL A 607 -1.464 -0.734 3.078 1.00 0.37 H new ATOM 0 HG13 VAL A 607 -1.614 -2.460 2.673 1.00 0.37 H new ATOM 0 HG21 VAL A 607 -4.557 -2.278 1.763 1.00 0.31 H new ATOM 0 HG22 VAL A 607 -3.939 -3.558 2.833 1.00 0.31 H new ATOM 0 HG23 VAL A 607 -5.314 -2.554 3.350 1.00 0.31 H new ATOM 228 N THR A 608 -3.638 0.103 6.118 1.00 0.11 N ATOM 229 CA THR A 608 -4.430 0.966 6.983 1.00 0.12 C ATOM 230 C THR A 608 -4.372 2.420 6.534 1.00 0.11 C ATOM 231 O THR A 608 -3.373 3.103 6.748 1.00 0.16 O ATOM 232 CB THR A 608 -3.952 0.892 8.441 1.00 0.16 C ATOM 233 OG1 THR A 608 -2.527 1.030 8.500 1.00 0.30 O ATOM 234 CG2 THR A 608 -4.366 -0.421 9.087 1.00 0.34 C ATOM 0 H THR A 608 -2.769 0.519 5.784 1.00 0.11 H new ATOM 0 HA THR A 608 -5.456 0.605 6.914 1.00 0.12 H new ATOM 0 HB THR A 608 -4.419 1.709 8.990 1.00 0.16 H new ATOM 0 HG1 THR A 608 -2.232 0.983 9.433 1.00 0.30 H new ATOM 0 HG21 THR A 608 -4.014 -0.446 10.118 1.00 0.34 H new ATOM 0 HG22 THR A 608 -5.452 -0.507 9.072 1.00 0.34 H new ATOM 0 HG23 THR A 608 -3.928 -1.252 8.534 1.00 0.34 H new ATOM 242 N CYS A 609 -5.451 2.893 5.924 1.00 0.15 N ATOM 243 CA CYS A 609 -5.516 4.273 5.461 1.00 0.17 C ATOM 244 C CYS A 609 -6.504 5.081 6.295 1.00 0.17 C ATOM 245 O CYS A 609 -7.715 4.943 6.144 1.00 0.18 O ATOM 246 CB CYS A 609 -5.924 4.316 3.991 1.00 0.20 C ATOM 247 SG CYS A 609 -6.268 5.979 3.369 1.00 0.67 S ATOM 0 H CYS A 609 -6.290 2.344 5.739 1.00 0.15 H new ATOM 0 HA CYS A 609 -4.526 4.715 5.573 1.00 0.17 H new ATOM 0 HB2 CYS A 609 -5.129 3.873 3.391 1.00 0.20 H new ATOM 0 HB3 CYS A 609 -6.811 3.697 3.853 1.00 0.20 H new ATOM 0 HG CYS A 609 -7.323 5.949 2.609 1.00 0.67 H new ATOM 253 N GLY A 610 -5.976 5.925 7.171 1.00 0.21 N ATOM 254 CA GLY A 610 -6.824 6.744 8.018 1.00 0.23 C ATOM 255 C GLY A 610 -7.737 5.914 8.895 1.00 0.22 C ATOM 256 O GLY A 610 -8.958 6.067 8.848 1.00 0.23 O ATOM 0 H GLY A 610 -4.974 6.058 7.311 1.00 0.21 H new ATOM 0 HA2 GLY A 610 -6.200 7.379 8.646 1.00 0.23 H new ATOM 0 HA3 GLY A 610 -7.426 7.405 7.394 1.00 0.23 H new ATOM 260 N GLU A 611 -7.142 5.024 9.692 1.00 0.25 N ATOM 261 CA GLU A 611 -7.902 4.151 10.586 1.00 0.31 C ATOM 262 C GLU A 611 -8.738 3.150 9.795 1.00 0.28 C ATOM 263 O GLU A 611 -9.437 2.316 10.371 1.00 0.35 O ATOM 264 CB GLU A 611 -8.809 4.974 11.503 1.00 0.37 C ATOM 265 CG GLU A 611 -8.074 6.055 12.279 1.00 1.46 C ATOM 266 CD GLU A 611 -7.935 5.723 13.752 1.00 2.00 C ATOM 267 OE1 GLU A 611 -8.895 5.172 14.330 1.00 2.48 O ATOM 268 OE2 GLU A 611 -6.865 6.015 14.327 1.00 2.54 O ATOM 0 H GLU A 611 -6.132 4.889 9.736 1.00 0.25 H new ATOM 0 HA GLU A 611 -7.187 3.600 11.197 1.00 0.31 H new ATOM 0 HB2 GLU A 611 -9.592 5.438 10.903 1.00 0.37 H new ATOM 0 HB3 GLU A 611 -9.302 4.305 12.208 1.00 0.37 H new ATOM 0 HG2 GLU A 611 -7.083 6.197 11.847 1.00 1.46 H new ATOM 0 HG3 GLU A 611 -8.607 7.000 12.172 1.00 1.46 H new ATOM 275 N VAL A 612 -8.667 3.244 8.472 1.00 0.20 N ATOM 276 CA VAL A 612 -9.422 2.356 7.594 1.00 0.22 C ATOM 277 C VAL A 612 -8.564 1.183 7.127 1.00 0.21 C ATOM 278 O VAL A 612 -7.805 1.301 6.166 1.00 0.30 O ATOM 279 CB VAL A 612 -9.954 3.118 6.365 1.00 0.22 C ATOM 280 CG1 VAL A 612 -10.651 2.174 5.396 1.00 0.27 C ATOM 281 CG2 VAL A 612 -10.893 4.234 6.797 1.00 0.25 C ATOM 0 H VAL A 612 -8.092 3.929 7.982 1.00 0.20 H new ATOM 0 HA VAL A 612 -10.264 1.972 8.170 1.00 0.22 H new ATOM 0 HB VAL A 612 -9.104 3.562 5.847 1.00 0.22 H new ATOM 0 HG11 VAL A 612 -11.017 2.738 4.538 1.00 0.27 H new ATOM 0 HG12 VAL A 612 -9.946 1.415 5.057 1.00 0.27 H new ATOM 0 HG13 VAL A 612 -11.490 1.692 5.898 1.00 0.27 H new ATOM 0 HG21 VAL A 612 -11.260 4.762 5.917 1.00 0.25 H new ATOM 0 HG22 VAL A 612 -11.736 3.810 7.343 1.00 0.25 H new ATOM 0 HG23 VAL A 612 -10.357 4.931 7.441 1.00 0.25 H new ATOM 291 N LYS A 613 -8.691 0.051 7.812 1.00 0.15 N ATOM 292 CA LYS A 613 -7.926 -1.140 7.466 1.00 0.14 C ATOM 293 C LYS A 613 -8.464 -1.791 6.196 1.00 0.15 C ATOM 294 O LYS A 613 -9.539 -1.436 5.710 1.00 0.25 O ATOM 295 CB LYS A 613 -7.959 -2.143 8.618 1.00 0.16 C ATOM 296 CG LYS A 613 -6.663 -2.919 8.780 1.00 0.35 C ATOM 297 CD LYS A 613 -6.880 -4.219 9.532 1.00 0.69 C ATOM 298 CE LYS A 613 -6.905 -3.988 11.030 1.00 1.45 C ATOM 299 NZ LYS A 613 -7.745 -4.995 11.737 1.00 1.76 N ATOM 0 H LYS A 613 -9.316 -0.066 8.609 1.00 0.15 H new ATOM 0 HA LYS A 613 -6.895 -0.835 7.284 1.00 0.14 H new ATOM 0 HB2 LYS A 613 -8.175 -1.613 9.546 1.00 0.16 H new ATOM 0 HB3 LYS A 613 -8.776 -2.845 8.455 1.00 0.16 H new ATOM 0 HG2 LYS A 613 -6.241 -3.132 7.798 1.00 0.35 H new ATOM 0 HG3 LYS A 613 -5.936 -2.307 9.313 1.00 0.35 H new ATOM 0 HD2 LYS A 613 -7.819 -4.673 9.216 1.00 0.69 H new ATOM 0 HD3 LYS A 613 -6.086 -4.923 9.283 1.00 0.69 H new ATOM 0 HE2 LYS A 613 -5.888 -4.027 11.420 1.00 1.45 H new ATOM 0 HE3 LYS A 613 -7.287 -2.988 11.236 1.00 1.45 H new ATOM 0 HZ1 LYS A 613 -7.734 -4.800 12.759 1.00 1.76 H new ATOM 0 HZ2 LYS A 613 -8.722 -4.941 11.384 1.00 1.76 H new ATOM 0 HZ3 LYS A 613 -7.366 -5.948 11.562 1.00 1.76 H new ATOM 313 N GLY A 614 -7.707 -2.747 5.669 1.00 0.13 N ATOM 314 CA GLY A 614 -8.114 -3.443 4.462 1.00 0.14 C ATOM 315 C GLY A 614 -7.133 -4.530 4.071 1.00 0.15 C ATOM 316 O GLY A 614 -5.992 -4.539 4.532 1.00 0.24 O ATOM 0 H GLY A 614 -6.815 -3.053 6.058 1.00 0.13 H new ATOM 0 HA2 GLY A 614 -9.100 -3.883 4.613 1.00 0.14 H new ATOM 0 HA3 GLY A 614 -8.206 -2.727 3.645 1.00 0.14 H new ATOM 320 N THR A 615 -7.578 -5.450 3.223 1.00 0.15 N ATOM 321 CA THR A 615 -6.731 -6.550 2.773 1.00 0.16 C ATOM 322 C THR A 615 -6.219 -6.310 1.355 1.00 0.14 C ATOM 323 O THR A 615 -7.002 -6.224 0.412 1.00 0.17 O ATOM 324 CB THR A 615 -7.484 -7.891 2.814 1.00 0.20 C ATOM 325 OG1 THR A 615 -8.781 -7.708 3.390 1.00 0.44 O ATOM 326 CG2 THR A 615 -6.709 -8.924 3.620 1.00 0.42 C ATOM 0 H THR A 615 -8.520 -5.457 2.833 1.00 0.15 H new ATOM 0 HA THR A 615 -5.884 -6.595 3.458 1.00 0.16 H new ATOM 0 HB THR A 615 -7.588 -8.254 1.791 1.00 0.20 H new ATOM 0 HG1 THR A 615 -9.254 -8.566 3.411 1.00 0.44 H new ATOM 0 HG21 THR A 615 -7.262 -9.863 3.634 1.00 0.42 H new ATOM 0 HG22 THR A 615 -5.733 -9.084 3.163 1.00 0.42 H new ATOM 0 HG23 THR A 615 -6.577 -8.565 4.641 1.00 0.42 H new ATOM 334 N LEU A 616 -4.900 -6.203 1.217 1.00 0.14 N ATOM 335 CA LEU A 616 -4.280 -5.973 -0.086 1.00 0.16 C ATOM 336 C LEU A 616 -3.935 -7.297 -0.765 1.00 0.15 C ATOM 337 O LEU A 616 -3.222 -8.127 -0.203 1.00 0.18 O ATOM 338 CB LEU A 616 -3.022 -5.118 0.077 1.00 0.21 C ATOM 339 CG LEU A 616 -2.335 -4.712 -1.227 1.00 0.22 C ATOM 340 CD1 LEU A 616 -2.185 -3.200 -1.303 1.00 0.38 C ATOM 341 CD2 LEU A 616 -0.980 -5.390 -1.344 1.00 0.40 C ATOM 0 H LEU A 616 -4.239 -6.272 1.991 1.00 0.14 H new ATOM 0 HA LEU A 616 -4.992 -5.442 -0.718 1.00 0.16 H new ATOM 0 HB2 LEU A 616 -3.286 -4.214 0.626 1.00 0.21 H new ATOM 0 HB3 LEU A 616 -2.307 -5.666 0.690 1.00 0.21 H new ATOM 0 HG LEU A 616 -2.957 -5.036 -2.062 1.00 0.22 H new ATOM 0 HD11 LEU A 616 -1.694 -2.930 -2.238 1.00 0.38 H new ATOM 0 HD12 LEU A 616 -3.170 -2.734 -1.262 1.00 0.38 H new ATOM 0 HD13 LEU A 616 -1.584 -2.851 -0.463 1.00 0.38 H new ATOM 0 HD21 LEU A 616 -0.503 -5.091 -2.277 1.00 0.40 H new ATOM 0 HD22 LEU A 616 -0.351 -5.094 -0.504 1.00 0.40 H new ATOM 0 HD23 LEU A 616 -1.112 -6.472 -1.334 1.00 0.40 H new ATOM 353 N TYR A 617 -4.453 -7.492 -1.974 1.00 0.14 N ATOM 354 CA TYR A 617 -4.207 -8.719 -2.728 1.00 0.16 C ATOM 355 C TYR A 617 -3.051 -8.544 -3.711 1.00 0.21 C ATOM 356 O TYR A 617 -2.999 -7.568 -4.454 1.00 0.22 O ATOM 357 CB TYR A 617 -5.473 -9.138 -3.479 1.00 0.16 C ATOM 358 CG TYR A 617 -6.420 -9.971 -2.645 1.00 0.20 C ATOM 359 CD1 TYR A 617 -7.159 -9.396 -1.619 1.00 0.29 C ATOM 360 CD2 TYR A 617 -6.572 -11.330 -2.882 1.00 0.31 C ATOM 361 CE1 TYR A 617 -8.025 -10.154 -0.854 1.00 0.34 C ATOM 362 CE2 TYR A 617 -7.437 -12.095 -2.121 1.00 0.37 C ATOM 363 CZ TYR A 617 -8.160 -11.502 -1.108 1.00 0.34 C ATOM 364 OH TYR A 617 -9.022 -12.260 -0.347 1.00 0.43 O ATOM 0 H TYR A 617 -5.047 -6.816 -2.454 1.00 0.14 H new ATOM 0 HA TYR A 617 -3.933 -9.500 -2.019 1.00 0.16 H new ATOM 0 HB2 TYR A 617 -5.994 -8.245 -3.823 1.00 0.16 H new ATOM 0 HB3 TYR A 617 -5.189 -9.704 -4.367 1.00 0.16 H new ATOM 0 HD1 TYR A 617 -7.055 -8.340 -1.416 1.00 0.29 H new ATOM 0 HD2 TYR A 617 -6.006 -11.798 -3.674 1.00 0.31 H new ATOM 0 HE1 TYR A 617 -8.594 -9.692 -0.060 1.00 0.34 H new ATOM 0 HE2 TYR A 617 -7.546 -13.151 -2.319 1.00 0.37 H new ATOM 0 HH TYR A 617 -9.000 -13.190 -0.656 1.00 0.43 H new ATOM 374 N LYS A 618 -2.125 -9.500 -3.702 1.00 0.27 N ATOM 375 CA LYS A 618 -0.963 -9.458 -4.586 1.00 0.34 C ATOM 376 C LYS A 618 -1.368 -9.631 -6.048 1.00 0.33 C ATOM 377 O LYS A 618 -0.728 -9.081 -6.944 1.00 0.37 O ATOM 378 CB LYS A 618 0.038 -10.551 -4.200 1.00 0.44 C ATOM 379 CG LYS A 618 0.555 -10.428 -2.776 1.00 0.80 C ATOM 380 CD LYS A 618 1.598 -9.329 -2.656 1.00 1.13 C ATOM 381 CE LYS A 618 1.460 -8.568 -1.346 1.00 1.56 C ATOM 382 NZ LYS A 618 0.039 -8.424 -0.929 1.00 2.48 N ATOM 0 H LYS A 618 -2.157 -10.316 -3.090 1.00 0.27 H new ATOM 0 HA LYS A 618 -0.497 -8.479 -4.471 1.00 0.34 H new ATOM 0 HB2 LYS A 618 -0.435 -11.525 -4.323 1.00 0.44 H new ATOM 0 HB3 LYS A 618 0.883 -10.518 -4.888 1.00 0.44 H new ATOM 0 HG2 LYS A 618 -0.276 -10.218 -2.103 1.00 0.80 H new ATOM 0 HG3 LYS A 618 0.988 -11.378 -2.461 1.00 0.80 H new ATOM 0 HD2 LYS A 618 2.595 -9.764 -2.722 1.00 1.13 H new ATOM 0 HD3 LYS A 618 1.496 -8.637 -3.492 1.00 1.13 H new ATOM 0 HE2 LYS A 618 2.016 -9.088 -0.565 1.00 1.56 H new ATOM 0 HE3 LYS A 618 1.908 -7.580 -1.452 1.00 1.56 H new ATOM 0 HZ1 LYS A 618 -0.063 -7.580 -0.331 1.00 2.48 H new ATOM 0 HZ2 LYS A 618 -0.562 -8.326 -1.772 1.00 2.48 H new ATOM 0 HZ3 LYS A 618 -0.252 -9.266 -0.392 1.00 2.48 H new ATOM 396 N GLU A 619 -2.423 -10.405 -6.282 1.00 0.31 N ATOM 397 CA GLU A 619 -2.906 -10.658 -7.639 1.00 0.34 C ATOM 398 C GLU A 619 -3.167 -9.353 -8.388 1.00 0.30 C ATOM 399 O GLU A 619 -3.230 -9.335 -9.617 1.00 0.34 O ATOM 400 CB GLU A 619 -4.180 -11.507 -7.601 1.00 0.35 C ATOM 401 CG GLU A 619 -5.420 -10.735 -7.179 1.00 1.04 C ATOM 402 CD GLU A 619 -6.614 -11.014 -8.072 1.00 1.45 C ATOM 403 OE1 GLU A 619 -6.402 -11.417 -9.236 1.00 1.68 O ATOM 404 OE2 GLU A 619 -7.760 -10.831 -7.610 1.00 2.07 O ATOM 0 H GLU A 619 -2.961 -10.869 -5.550 1.00 0.31 H new ATOM 0 HA GLU A 619 -2.129 -11.205 -8.173 1.00 0.34 H new ATOM 0 HB2 GLU A 619 -4.349 -11.936 -8.589 1.00 0.35 H new ATOM 0 HB3 GLU A 619 -4.030 -12.339 -6.913 1.00 0.35 H new ATOM 0 HG2 GLU A 619 -5.672 -10.994 -6.151 1.00 1.04 H new ATOM 0 HG3 GLU A 619 -5.201 -9.667 -7.194 1.00 1.04 H new ATOM 411 N ARG A 620 -3.317 -8.266 -7.640 1.00 0.25 N ATOM 412 CA ARG A 620 -3.572 -6.957 -8.229 1.00 0.25 C ATOM 413 C ARG A 620 -2.516 -5.947 -7.785 1.00 0.27 C ATOM 414 O ARG A 620 -2.243 -4.972 -8.486 1.00 0.29 O ATOM 415 CB ARG A 620 -4.967 -6.467 -7.841 1.00 0.25 C ATOM 416 CG ARG A 620 -6.082 -7.396 -8.288 1.00 0.38 C ATOM 417 CD ARG A 620 -7.410 -6.667 -8.388 1.00 0.55 C ATOM 418 NE ARG A 620 -8.366 -7.384 -9.225 1.00 0.88 N ATOM 419 CZ ARG A 620 -9.510 -6.860 -9.655 1.00 0.95 C ATOM 420 NH1 ARG A 620 -9.840 -5.618 -9.329 1.00 1.77 N ATOM 421 NH2 ARG A 620 -10.326 -7.581 -10.412 1.00 1.17 N ATOM 0 H ARG A 620 -3.266 -8.266 -6.621 1.00 0.25 H new ATOM 0 HA ARG A 620 -3.519 -7.053 -9.313 1.00 0.25 H new ATOM 0 HB2 ARG A 620 -5.014 -6.350 -6.758 1.00 0.25 H new ATOM 0 HB3 ARG A 620 -5.131 -5.481 -8.275 1.00 0.25 H new ATOM 0 HG2 ARG A 620 -5.830 -7.829 -9.256 1.00 0.38 H new ATOM 0 HG3 ARG A 620 -6.172 -8.223 -7.583 1.00 0.38 H new ATOM 0 HD2 ARG A 620 -7.828 -6.537 -7.390 1.00 0.55 H new ATOM 0 HD3 ARG A 620 -7.246 -5.670 -8.797 1.00 0.55 H new ATOM 0 HE ARG A 620 -8.144 -8.342 -9.496 1.00 0.88 H new ATOM 0 HH11 ARG A 620 -9.215 -5.061 -8.746 1.00 1.77 H new ATOM 0 HH12 ARG A 620 -10.718 -5.220 -9.661 1.00 1.77 H new ATOM 0 HH21 ARG A 620 -10.076 -8.537 -10.664 1.00 1.17 H new ATOM 0 HH22 ARG A 620 -11.204 -7.179 -10.742 1.00 1.17 H new ATOM 435 N PHE A 621 -1.924 -6.193 -6.620 1.00 0.31 N ATOM 436 CA PHE A 621 -0.891 -5.315 -6.076 1.00 0.38 C ATOM 437 C PHE A 621 0.282 -5.201 -7.045 1.00 0.33 C ATOM 438 O PHE A 621 1.067 -4.252 -6.979 1.00 0.34 O ATOM 439 CB PHE A 621 -0.408 -5.843 -4.721 1.00 0.53 C ATOM 440 CG PHE A 621 0.839 -5.173 -4.212 1.00 0.75 C ATOM 441 CD1 PHE A 621 0.836 -3.822 -3.902 1.00 0.87 C ATOM 442 CD2 PHE A 621 2.012 -5.892 -4.044 1.00 0.96 C ATOM 443 CE1 PHE A 621 1.979 -3.201 -3.434 1.00 1.13 C ATOM 444 CE2 PHE A 621 3.158 -5.277 -3.576 1.00 1.21 C ATOM 445 CZ PHE A 621 3.146 -3.939 -3.270 1.00 1.27 C ATOM 0 H PHE A 621 -2.143 -6.997 -6.032 1.00 0.31 H new ATOM 0 HA PHE A 621 -1.320 -4.323 -5.936 1.00 0.38 H new ATOM 0 HB2 PHE A 621 -1.203 -5.712 -3.987 1.00 0.53 H new ATOM 0 HB3 PHE A 621 -0.224 -6.914 -4.805 1.00 0.53 H new ATOM 0 HD1 PHE A 621 -0.070 -3.248 -4.028 1.00 0.87 H new ATOM 0 HD2 PHE A 621 2.031 -6.945 -4.282 1.00 0.96 H new ATOM 0 HE1 PHE A 621 1.966 -2.147 -3.197 1.00 1.13 H new ATOM 0 HE2 PHE A 621 4.065 -5.850 -3.451 1.00 1.21 H new ATOM 0 HZ PHE A 621 4.042 -3.460 -2.902 1.00 1.27 H new ATOM 455 N LYS A 622 0.394 -6.178 -7.941 1.00 0.33 N ATOM 456 CA LYS A 622 1.466 -6.207 -8.933 1.00 0.39 C ATOM 457 C LYS A 622 1.595 -4.866 -9.660 1.00 0.38 C ATOM 458 O LYS A 622 2.604 -4.603 -10.314 1.00 0.48 O ATOM 459 CB LYS A 622 1.213 -7.325 -9.946 1.00 0.48 C ATOM 460 CG LYS A 622 1.371 -8.724 -9.370 1.00 1.26 C ATOM 461 CD LYS A 622 0.361 -9.691 -9.969 1.00 2.09 C ATOM 462 CE LYS A 622 0.822 -10.214 -11.321 1.00 2.24 C ATOM 463 NZ LYS A 622 0.413 -11.629 -11.538 1.00 2.99 N ATOM 0 H LYS A 622 -0.250 -6.967 -8.000 1.00 0.33 H new ATOM 0 HA LYS A 622 2.402 -6.396 -8.407 1.00 0.39 H new ATOM 0 HB2 LYS A 622 0.205 -7.219 -10.346 1.00 0.48 H new ATOM 0 HB3 LYS A 622 1.902 -7.207 -10.783 1.00 0.48 H new ATOM 0 HG2 LYS A 622 2.381 -9.086 -9.562 1.00 1.26 H new ATOM 0 HG3 LYS A 622 1.246 -8.689 -8.288 1.00 1.26 H new ATOM 0 HD2 LYS A 622 0.208 -10.528 -9.287 1.00 2.09 H new ATOM 0 HD3 LYS A 622 -0.601 -9.191 -10.080 1.00 2.09 H new ATOM 0 HE2 LYS A 622 0.406 -9.590 -12.112 1.00 2.24 H new ATOM 0 HE3 LYS A 622 1.907 -10.135 -11.390 1.00 2.24 H new ATOM 0 HZ1 LYS A 622 0.746 -11.948 -12.470 1.00 2.99 H new ATOM 0 HZ2 LYS A 622 0.830 -12.228 -10.798 1.00 2.99 H new ATOM 0 HZ3 LYS A 622 -0.624 -11.701 -11.498 1.00 2.99 H new ATOM 477 N GLN A 623 0.571 -4.023 -9.540 1.00 0.35 N ATOM 478 CA GLN A 623 0.579 -2.713 -10.184 1.00 0.46 C ATOM 479 C GLN A 623 0.323 -1.601 -9.168 1.00 0.49 C ATOM 480 O GLN A 623 0.568 -0.426 -9.446 1.00 0.63 O ATOM 481 CB GLN A 623 -0.469 -2.656 -11.299 1.00 0.55 C ATOM 482 CG GLN A 623 -1.496 -3.776 -11.238 1.00 0.68 C ATOM 483 CD GLN A 623 -1.644 -4.502 -12.560 1.00 0.92 C ATOM 484 OE1 GLN A 623 -1.653 -3.883 -13.624 1.00 1.48 O ATOM 485 NE2 GLN A 623 -1.760 -5.823 -12.500 1.00 1.27 N ATOM 0 H GLN A 623 -0.273 -4.224 -9.004 1.00 0.35 H new ATOM 0 HA GLN A 623 1.567 -2.561 -10.619 1.00 0.46 H new ATOM 0 HB2 GLN A 623 -0.987 -1.698 -11.249 1.00 0.55 H new ATOM 0 HB3 GLN A 623 0.038 -2.694 -12.263 1.00 0.55 H new ATOM 0 HG2 GLN A 623 -1.205 -4.489 -10.466 1.00 0.68 H new ATOM 0 HG3 GLN A 623 -2.461 -3.364 -10.944 1.00 0.68 H new ATOM 0 HE21 GLN A 623 -1.748 -6.296 -11.596 1.00 1.27 H new ATOM 0 HE22 GLN A 623 -1.862 -6.366 -13.358 1.00 1.27 H new ATOM 494 N GLY A 624 -0.161 -1.979 -7.988 1.00 0.42 N ATOM 495 CA GLY A 624 -0.434 -1.002 -6.945 1.00 0.47 C ATOM 496 C GLY A 624 -1.623 -0.115 -7.261 1.00 0.66 C ATOM 497 O GLY A 624 -2.759 -0.586 -7.326 1.00 1.40 O ATOM 0 H GLY A 624 -0.370 -2.945 -7.734 1.00 0.42 H new ATOM 0 HA2 GLY A 624 -0.616 -1.523 -6.005 1.00 0.47 H new ATOM 0 HA3 GLY A 624 0.448 -0.379 -6.798 1.00 0.47 H new ATOM 501 N THR A 625 -1.362 1.180 -7.440 1.00 0.31 N ATOM 502 CA THR A 625 -2.416 2.152 -7.735 1.00 0.32 C ATOM 503 C THR A 625 -3.016 1.965 -9.133 1.00 0.34 C ATOM 504 O THR A 625 -3.587 2.899 -9.697 1.00 0.61 O ATOM 505 CB THR A 625 -1.893 3.596 -7.602 1.00 0.34 C ATOM 506 OG1 THR A 625 -2.975 4.526 -7.747 1.00 0.91 O ATOM 507 CG2 THR A 625 -0.824 3.887 -8.647 1.00 0.76 C ATOM 0 H THR A 625 -0.426 1.582 -7.386 1.00 0.31 H new ATOM 0 HA THR A 625 -3.202 1.975 -7.001 1.00 0.32 H new ATOM 0 HB THR A 625 -1.449 3.706 -6.613 1.00 0.34 H new ATOM 0 HG1 THR A 625 -3.511 4.285 -8.532 1.00 0.91 H new ATOM 0 HG21 THR A 625 -0.472 4.912 -8.531 1.00 0.76 H new ATOM 0 HG22 THR A 625 0.011 3.199 -8.514 1.00 0.76 H new ATOM 0 HG23 THR A 625 -1.245 3.758 -9.644 1.00 0.76 H new ATOM 515 N SER A 626 -2.899 0.761 -9.687 1.00 0.37 N ATOM 516 CA SER A 626 -3.447 0.478 -11.009 1.00 0.37 C ATOM 517 C SER A 626 -4.417 -0.699 -10.957 1.00 0.31 C ATOM 518 O SER A 626 -4.957 -1.116 -11.982 1.00 0.31 O ATOM 519 CB SER A 626 -2.324 0.190 -12.005 1.00 0.43 C ATOM 520 OG SER A 626 -2.473 0.966 -13.182 1.00 0.92 O ATOM 0 H SER A 626 -2.432 -0.030 -9.243 1.00 0.37 H new ATOM 0 HA SER A 626 -3.994 1.360 -11.342 1.00 0.37 H new ATOM 0 HB2 SER A 626 -1.360 0.406 -11.543 1.00 0.43 H new ATOM 0 HB3 SER A 626 -2.325 -0.869 -12.262 1.00 0.43 H new ATOM 0 HG SER A 626 -1.741 0.764 -13.802 1.00 0.92 H new ATOM 526 N LYS A 627 -4.636 -1.226 -9.756 1.00 0.30 N ATOM 527 CA LYS A 627 -5.543 -2.352 -9.561 1.00 0.31 C ATOM 528 C LYS A 627 -6.069 -2.386 -8.129 1.00 0.32 C ATOM 529 O LYS A 627 -5.293 -2.451 -7.175 1.00 0.47 O ATOM 530 CB LYS A 627 -4.834 -3.669 -9.885 1.00 0.36 C ATOM 531 CG LYS A 627 -4.908 -4.057 -11.352 1.00 0.41 C ATOM 532 CD LYS A 627 -6.307 -4.506 -11.741 1.00 0.86 C ATOM 533 CE LYS A 627 -6.954 -3.531 -12.714 1.00 1.24 C ATOM 534 NZ LYS A 627 -7.781 -2.512 -12.010 1.00 1.87 N ATOM 0 H LYS A 627 -4.195 -0.889 -8.900 1.00 0.30 H new ATOM 0 HA LYS A 627 -6.388 -2.225 -10.238 1.00 0.31 H new ATOM 0 HB2 LYS A 627 -3.787 -3.590 -9.592 1.00 0.36 H new ATOM 0 HB3 LYS A 627 -5.274 -4.466 -9.285 1.00 0.36 H new ATOM 0 HG2 LYS A 627 -4.613 -3.208 -11.969 1.00 0.41 H new ATOM 0 HG3 LYS A 627 -4.198 -4.860 -11.553 1.00 0.41 H new ATOM 0 HD2 LYS A 627 -6.260 -5.496 -12.194 1.00 0.86 H new ATOM 0 HD3 LYS A 627 -6.924 -4.593 -10.847 1.00 0.86 H new ATOM 0 HE2 LYS A 627 -6.180 -3.031 -13.296 1.00 1.24 H new ATOM 0 HE3 LYS A 627 -7.578 -4.081 -13.419 1.00 1.24 H new ATOM 0 HZ1 LYS A 627 -8.611 -2.277 -12.591 1.00 1.87 H new ATOM 0 HZ2 LYS A 627 -8.095 -2.892 -11.094 1.00 1.87 H new ATOM 0 HZ3 LYS A 627 -7.215 -1.654 -11.853 1.00 1.87 H new ATOM 548 N LYS A 628 -7.391 -2.341 -7.986 1.00 0.28 N ATOM 549 CA LYS A 628 -8.021 -2.368 -6.670 1.00 0.29 C ATOM 550 C LYS A 628 -7.862 -3.738 -6.020 1.00 0.28 C ATOM 551 O LYS A 628 -8.548 -4.690 -6.387 1.00 0.45 O ATOM 552 CB LYS A 628 -9.505 -2.012 -6.780 1.00 0.32 C ATOM 553 CG LYS A 628 -10.183 -2.579 -8.017 1.00 1.00 C ATOM 554 CD LYS A 628 -11.148 -1.578 -8.628 1.00 1.24 C ATOM 555 CE LYS A 628 -11.545 -1.978 -10.039 1.00 1.55 C ATOM 556 NZ LYS A 628 -12.009 -0.810 -10.838 1.00 2.32 N ATOM 0 H LYS A 628 -8.046 -2.286 -8.766 1.00 0.28 H new ATOM 0 HA LYS A 628 -7.524 -1.627 -6.043 1.00 0.29 H new ATOM 0 HB2 LYS A 628 -10.023 -2.378 -5.894 1.00 0.32 H new ATOM 0 HB3 LYS A 628 -9.609 -0.927 -6.785 1.00 0.32 H new ATOM 0 HG2 LYS A 628 -9.428 -2.855 -8.753 1.00 1.00 H new ATOM 0 HG3 LYS A 628 -10.720 -3.490 -7.754 1.00 1.00 H new ATOM 0 HD2 LYS A 628 -12.039 -1.504 -8.005 1.00 1.24 H new ATOM 0 HD3 LYS A 628 -10.687 -0.590 -8.645 1.00 1.24 H new ATOM 0 HE2 LYS A 628 -10.695 -2.444 -10.537 1.00 1.55 H new ATOM 0 HE3 LYS A 628 -12.337 -2.725 -9.995 1.00 1.55 H new ATOM 0 HZ1 LYS A 628 -12.270 -1.125 -11.794 1.00 2.32 H new ATOM 0 HZ2 LYS A 628 -12.836 -0.380 -10.377 1.00 2.32 H new ATOM 0 HZ3 LYS A 628 -11.245 -0.108 -10.902 1.00 2.32 H new ATOM 570 N CYS A 629 -6.948 -3.834 -5.058 1.00 0.18 N ATOM 571 CA CYS A 629 -6.699 -5.094 -4.366 1.00 0.17 C ATOM 572 C CYS A 629 -7.014 -4.985 -2.878 1.00 0.16 C ATOM 573 O CYS A 629 -6.806 -5.935 -2.125 1.00 0.17 O ATOM 574 CB CYS A 629 -5.242 -5.517 -4.551 1.00 0.20 C ATOM 575 SG CYS A 629 -4.110 -4.144 -4.867 1.00 0.33 S ATOM 0 H CYS A 629 -6.369 -3.056 -4.741 1.00 0.18 H new ATOM 0 HA CYS A 629 -7.357 -5.846 -4.801 1.00 0.17 H new ATOM 0 HB2 CYS A 629 -4.913 -6.047 -3.658 1.00 0.20 H new ATOM 0 HB3 CYS A 629 -5.182 -6.222 -5.380 1.00 0.20 H new ATOM 0 HG CYS A 629 -4.576 -3.411 -5.835 1.00 0.33 H new ATOM 581 N ILE A 630 -7.514 -3.829 -2.460 1.00 0.16 N ATOM 582 CA ILE A 630 -7.851 -3.612 -1.057 1.00 0.18 C ATOM 583 C ILE A 630 -9.321 -3.914 -0.791 1.00 0.18 C ATOM 584 O ILE A 630 -10.202 -3.156 -1.191 1.00 0.21 O ATOM 585 CB ILE A 630 -7.543 -2.167 -0.619 1.00 0.21 C ATOM 586 CG1 ILE A 630 -6.046 -1.882 -0.751 1.00 0.22 C ATOM 587 CG2 ILE A 630 -8.006 -1.934 0.813 1.00 0.29 C ATOM 588 CD1 ILE A 630 -5.736 -0.482 -1.231 1.00 0.31 C ATOM 0 H ILE A 630 -7.695 -3.030 -3.068 1.00 0.16 H new ATOM 0 HA ILE A 630 -7.233 -4.296 -0.475 1.00 0.18 H new ATOM 0 HB ILE A 630 -8.086 -1.483 -1.271 1.00 0.21 H new ATOM 0 HG12 ILE A 630 -5.568 -2.040 0.216 1.00 0.22 H new ATOM 0 HG13 ILE A 630 -5.608 -2.600 -1.444 1.00 0.22 H new ATOM 0 HG21 ILE A 630 -7.781 -0.909 1.106 1.00 0.29 H new ATOM 0 HG22 ILE A 630 -9.081 -2.103 0.880 1.00 0.29 H new ATOM 0 HG23 ILE A 630 -7.488 -2.624 1.480 1.00 0.29 H new ATOM 0 HD11 ILE A 630 -4.656 -0.352 -1.301 1.00 0.31 H new ATOM 0 HD12 ILE A 630 -6.184 -0.326 -2.212 1.00 0.31 H new ATOM 0 HD13 ILE A 630 -6.144 0.243 -0.527 1.00 0.31 H new ATOM 600 N GLN A 631 -9.580 -5.021 -0.109 1.00 0.23 N ATOM 601 CA GLN A 631 -10.944 -5.419 0.209 1.00 0.27 C ATOM 602 C GLN A 631 -11.386 -4.814 1.536 1.00 0.29 C ATOM 603 O GLN A 631 -10.782 -5.069 2.580 1.00 0.34 O ATOM 604 CB GLN A 631 -11.051 -6.943 0.266 1.00 0.35 C ATOM 605 CG GLN A 631 -12.476 -7.447 0.413 1.00 0.41 C ATOM 606 CD GLN A 631 -12.566 -8.960 0.407 1.00 0.60 C ATOM 607 OE1 GLN A 631 -11.562 -9.654 0.240 1.00 1.15 O ATOM 608 NE2 GLN A 631 -13.773 -9.481 0.590 1.00 0.77 N ATOM 0 H GLN A 631 -8.863 -5.660 0.235 1.00 0.23 H new ATOM 0 HA GLN A 631 -11.601 -5.047 -0.577 1.00 0.27 H new ATOM 0 HB2 GLN A 631 -10.617 -7.364 -0.641 1.00 0.35 H new ATOM 0 HB3 GLN A 631 -10.457 -7.310 1.103 1.00 0.35 H new ATOM 0 HG2 GLN A 631 -12.897 -7.066 1.343 1.00 0.41 H new ATOM 0 HG3 GLN A 631 -13.084 -7.048 -0.399 1.00 0.41 H new ATOM 0 HE21 GLN A 631 -14.578 -8.869 0.725 1.00 0.77 H new ATOM 0 HE22 GLN A 631 -13.896 -10.494 0.596 1.00 0.77 H new ATOM 617 N SER A 632 -12.444 -4.010 1.485 1.00 0.28 N ATOM 618 CA SER A 632 -12.973 -3.361 2.678 1.00 0.32 C ATOM 619 C SER A 632 -14.103 -4.183 3.290 1.00 0.56 C ATOM 620 O SER A 632 -14.605 -5.123 2.671 1.00 0.83 O ATOM 621 CB SER A 632 -13.477 -1.958 2.339 1.00 0.70 C ATOM 622 OG SER A 632 -13.378 -1.094 3.458 1.00 1.80 O ATOM 0 H SER A 632 -12.952 -3.793 0.628 1.00 0.28 H new ATOM 0 HA SER A 632 -12.166 -3.285 3.407 1.00 0.32 H new ATOM 0 HB2 SER A 632 -12.898 -1.551 1.510 1.00 0.70 H new ATOM 0 HB3 SER A 632 -14.514 -2.011 2.008 1.00 0.70 H new ATOM 0 HG SER A 632 -13.705 -0.203 3.213 1.00 1.80 H new ATOM 677 N LYS A 636 -16.014 -4.904 -0.784 1.00 0.37 N ATOM 678 CA LYS A 636 -15.712 -4.186 -2.016 1.00 0.37 C ATOM 679 C LYS A 636 -14.231 -3.822 -2.077 1.00 0.31 C ATOM 680 O LYS A 636 -13.643 -3.409 -1.079 1.00 0.36 O ATOM 681 CB LYS A 636 -16.588 -2.930 -2.113 1.00 0.51 C ATOM 682 CG LYS A 636 -15.943 -1.778 -2.866 1.00 0.90 C ATOM 683 CD LYS A 636 -15.914 -2.036 -4.365 1.00 0.81 C ATOM 684 CE LYS A 636 -17.228 -1.641 -5.022 1.00 1.13 C ATOM 685 NZ LYS A 636 -17.041 -0.560 -6.029 1.00 1.60 N ATOM 0 HA LYS A 636 -15.932 -4.832 -2.866 1.00 0.37 H new ATOM 0 HB2 LYS A 636 -17.525 -3.191 -2.604 1.00 0.51 H new ATOM 0 HB3 LYS A 636 -16.838 -2.596 -1.106 1.00 0.51 H new ATOM 0 HG2 LYS A 636 -16.492 -0.858 -2.665 1.00 0.90 H new ATOM 0 HG3 LYS A 636 -14.926 -1.628 -2.502 1.00 0.90 H new ATOM 0 HD2 LYS A 636 -15.096 -1.474 -4.817 1.00 0.81 H new ATOM 0 HD3 LYS A 636 -15.716 -3.092 -4.550 1.00 0.81 H new ATOM 0 HE2 LYS A 636 -17.670 -2.513 -5.503 1.00 1.13 H new ATOM 0 HE3 LYS A 636 -17.931 -1.308 -4.258 1.00 1.13 H new ATOM 0 HZ1 LYS A 636 -17.959 -0.319 -6.454 1.00 1.60 H new ATOM 0 HZ2 LYS A 636 -16.643 0.281 -5.565 1.00 1.60 H new ATOM 0 HZ3 LYS A 636 -16.390 -0.886 -6.772 1.00 1.60 H new ATOM 699 N TRP A 637 -13.633 -3.988 -3.253 1.00 0.25 N ATOM 700 CA TRP A 637 -12.217 -3.690 -3.439 1.00 0.21 C ATOM 701 C TRP A 637 -12.011 -2.255 -3.920 1.00 0.22 C ATOM 702 O TRP A 637 -12.715 -1.779 -4.811 1.00 0.26 O ATOM 703 CB TRP A 637 -11.594 -4.676 -4.434 1.00 0.22 C ATOM 704 CG TRP A 637 -11.641 -6.109 -3.980 1.00 0.27 C ATOM 705 CD1 TRP A 637 -12.447 -6.645 -3.013 1.00 0.38 C ATOM 706 CD2 TRP A 637 -10.844 -7.193 -4.478 1.00 0.33 C ATOM 707 NE1 TRP A 637 -12.199 -7.989 -2.880 1.00 0.42 N ATOM 708 CE2 TRP A 637 -11.221 -8.349 -3.769 1.00 0.39 C ATOM 709 CE3 TRP A 637 -9.851 -7.296 -5.456 1.00 0.46 C ATOM 710 CZ2 TRP A 637 -10.637 -9.592 -4.006 1.00 0.49 C ATOM 711 CZ3 TRP A 637 -9.273 -8.530 -5.690 1.00 0.60 C ATOM 712 CH2 TRP A 637 -9.668 -9.663 -4.969 1.00 0.60 C ATOM 0 H TRP A 637 -14.106 -4.327 -4.090 1.00 0.25 H new ATOM 0 HA TRP A 637 -11.722 -3.796 -2.474 1.00 0.21 H new ATOM 0 HB2 TRP A 637 -12.113 -4.590 -5.389 1.00 0.22 H new ATOM 0 HB3 TRP A 637 -10.556 -4.394 -4.609 1.00 0.22 H new ATOM 0 HD1 TRP A 637 -13.174 -6.091 -2.437 1.00 0.38 H new ATOM 0 HE1 TRP A 637 -12.667 -8.617 -2.226 1.00 0.42 H new ATOM 0 HE3 TRP A 637 -9.541 -6.428 -6.019 1.00 0.46 H new ATOM 0 HZ2 TRP A 637 -10.938 -10.467 -3.450 1.00 0.49 H new ATOM 0 HZ3 TRP A 637 -8.503 -8.621 -6.442 1.00 0.60 H new ATOM 0 HH2 TRP A 637 -9.198 -10.613 -5.177 1.00 0.60 H new ATOM 723 N PHE A 638 -11.036 -1.575 -3.323 1.00 0.24 N ATOM 724 CA PHE A 638 -10.718 -0.197 -3.680 1.00 0.30 C ATOM 725 C PHE A 638 -9.275 -0.084 -4.158 1.00 0.27 C ATOM 726 O PHE A 638 -8.444 -0.943 -3.861 1.00 0.29 O ATOM 727 CB PHE A 638 -10.912 0.731 -2.477 1.00 0.41 C ATOM 728 CG PHE A 638 -12.335 0.865 -2.016 1.00 0.29 C ATOM 729 CD1 PHE A 638 -12.883 -0.063 -1.147 1.00 0.62 C ATOM 730 CD2 PHE A 638 -13.128 1.911 -2.463 1.00 0.76 C ATOM 731 CE1 PHE A 638 -14.195 0.049 -0.728 1.00 0.69 C ATOM 732 CE2 PHE A 638 -14.441 2.026 -2.050 1.00 0.87 C ATOM 733 CZ PHE A 638 -14.959 1.133 -1.143 1.00 0.59 C ATOM 0 H PHE A 638 -10.448 -1.961 -2.584 1.00 0.24 H new ATOM 0 HA PHE A 638 -11.393 0.100 -4.483 1.00 0.30 H new ATOM 0 HB2 PHE A 638 -10.308 0.361 -1.648 1.00 0.41 H new ATOM 0 HB3 PHE A 638 -10.532 1.720 -2.732 1.00 0.41 H new ATOM 0 HD1 PHE A 638 -12.278 -0.884 -0.792 1.00 0.62 H new ATOM 0 HD2 PHE A 638 -12.715 2.643 -3.141 1.00 0.76 H new ATOM 0 HE1 PHE A 638 -14.624 -0.702 -0.081 1.00 0.69 H new ATOM 0 HE2 PHE A 638 -15.062 2.819 -2.441 1.00 0.87 H new ATOM 0 HZ PHE A 638 -15.957 1.273 -0.754 1.00 0.59 H new ATOM 743 N THR A 639 -8.979 0.990 -4.880 1.00 0.25 N ATOM 744 CA THR A 639 -7.630 1.230 -5.376 1.00 0.25 C ATOM 745 C THR A 639 -6.887 2.155 -4.417 1.00 0.22 C ATOM 746 O THR A 639 -7.515 2.918 -3.691 1.00 0.21 O ATOM 747 CB THR A 639 -7.649 1.868 -6.779 1.00 0.30 C ATOM 748 OG1 THR A 639 -8.915 2.496 -7.014 1.00 0.37 O ATOM 749 CG2 THR A 639 -7.389 0.825 -7.854 1.00 0.39 C ATOM 0 H THR A 639 -9.656 1.709 -5.135 1.00 0.25 H new ATOM 0 HA THR A 639 -7.123 0.268 -5.442 1.00 0.25 H new ATOM 0 HB THR A 639 -6.857 2.616 -6.823 1.00 0.30 H new ATOM 0 HG1 THR A 639 -8.919 2.901 -7.907 1.00 0.37 H new ATOM 0 HG21 THR A 639 -7.408 1.301 -8.835 1.00 0.39 H new ATOM 0 HG22 THR A 639 -6.412 0.369 -7.690 1.00 0.39 H new ATOM 0 HG23 THR A 639 -8.160 0.056 -7.809 1.00 0.39 H new ATOM 757 N PRO A 640 -5.542 2.103 -4.387 1.00 0.23 N ATOM 758 CA PRO A 640 -4.744 2.953 -3.494 1.00 0.23 C ATOM 759 C PRO A 640 -5.182 4.418 -3.528 1.00 0.21 C ATOM 760 O PRO A 640 -4.868 5.190 -2.621 1.00 0.22 O ATOM 761 CB PRO A 640 -3.327 2.792 -4.042 1.00 0.27 C ATOM 762 CG PRO A 640 -3.319 1.423 -4.625 1.00 0.30 C ATOM 763 CD PRO A 640 -4.692 1.217 -5.206 1.00 0.27 C ATOM 0 HA PRO A 640 -4.847 2.664 -2.448 1.00 0.23 H new ATOM 0 HB2 PRO A 640 -3.102 3.548 -4.795 1.00 0.27 H new ATOM 0 HB3 PRO A 640 -2.581 2.895 -3.254 1.00 0.27 H new ATOM 0 HG2 PRO A 640 -2.551 1.330 -5.393 1.00 0.30 H new ATOM 0 HG3 PRO A 640 -3.100 0.675 -3.863 1.00 0.30 H new ATOM 0 HD2 PRO A 640 -4.727 1.488 -6.261 1.00 0.27 H new ATOM 0 HD3 PRO A 640 -5.008 0.176 -5.133 1.00 0.27 H new ATOM 771 N ARG A 641 -5.921 4.792 -4.568 1.00 0.20 N ATOM 772 CA ARG A 641 -6.416 6.158 -4.707 1.00 0.21 C ATOM 773 C ARG A 641 -7.789 6.299 -4.047 1.00 0.19 C ATOM 774 O ARG A 641 -7.976 7.119 -3.143 1.00 0.23 O ATOM 775 CB ARG A 641 -6.494 6.541 -6.190 1.00 0.25 C ATOM 776 CG ARG A 641 -7.467 7.674 -6.484 1.00 0.27 C ATOM 777 CD ARG A 641 -6.936 9.009 -5.988 1.00 0.62 C ATOM 778 NE ARG A 641 -7.984 10.024 -5.917 1.00 1.36 N ATOM 779 CZ ARG A 641 -8.437 10.694 -6.973 1.00 1.81 C ATOM 780 NH1 ARG A 641 -7.929 10.464 -8.176 1.00 2.09 N ATOM 781 NH2 ARG A 641 -9.397 11.597 -6.826 1.00 2.60 N ATOM 0 H ARG A 641 -6.191 4.167 -5.328 1.00 0.20 H new ATOM 0 HA ARG A 641 -5.723 6.834 -4.206 1.00 0.21 H new ATOM 0 HB2 ARG A 641 -5.501 6.830 -6.533 1.00 0.25 H new ATOM 0 HB3 ARG A 641 -6.788 5.664 -6.767 1.00 0.25 H new ATOM 0 HG2 ARG A 641 -7.648 7.730 -7.557 1.00 0.27 H new ATOM 0 HG3 ARG A 641 -8.426 7.464 -6.009 1.00 0.27 H new ATOM 0 HD2 ARG A 641 -6.491 8.878 -5.002 1.00 0.62 H new ATOM 0 HD3 ARG A 641 -6.143 9.353 -6.652 1.00 0.62 H new ATOM 0 HE ARG A 641 -8.392 10.231 -5.005 1.00 1.36 H new ATOM 0 HH11 ARG A 641 -7.189 9.772 -8.293 1.00 2.09 H new ATOM 0 HH12 ARG A 641 -8.278 10.979 -8.984 1.00 2.09 H new ATOM 0 HH21 ARG A 641 -9.789 11.779 -5.902 1.00 2.60 H new ATOM 0 HH22 ARG A 641 -9.743 12.110 -7.637 1.00 2.60 H new ATOM 795 N GLU A 642 -8.744 5.489 -4.498 1.00 0.20 N ATOM 796 CA GLU A 642 -10.096 5.515 -3.949 1.00 0.23 C ATOM 797 C GLU A 642 -10.071 5.208 -2.457 1.00 0.23 C ATOM 798 O GLU A 642 -10.977 5.586 -1.714 1.00 0.26 O ATOM 799 CB GLU A 642 -10.989 4.510 -4.678 1.00 0.26 C ATOM 800 CG GLU A 642 -12.313 5.097 -5.143 1.00 0.63 C ATOM 801 CD GLU A 642 -12.993 4.249 -6.199 1.00 0.89 C ATOM 802 OE1 GLU A 642 -12.280 3.525 -6.927 1.00 1.33 O ATOM 803 OE2 GLU A 642 -14.237 4.305 -6.299 1.00 1.60 O ATOM 0 H GLU A 642 -8.606 4.806 -5.243 1.00 0.20 H new ATOM 0 HA GLU A 642 -10.505 6.515 -4.093 1.00 0.23 H new ATOM 0 HB2 GLU A 642 -10.451 4.119 -5.542 1.00 0.26 H new ATOM 0 HB3 GLU A 642 -11.187 3.666 -4.017 1.00 0.26 H new ATOM 0 HG2 GLU A 642 -12.978 5.205 -4.286 1.00 0.63 H new ATOM 0 HG3 GLU A 642 -12.142 6.097 -5.541 1.00 0.63 H new ATOM 810 N PHE A 643 -9.016 4.524 -2.029 1.00 0.22 N ATOM 811 CA PHE A 643 -8.845 4.163 -0.630 1.00 0.23 C ATOM 812 C PHE A 643 -8.407 5.380 0.169 1.00 0.23 C ATOM 813 O PHE A 643 -8.859 5.591 1.295 1.00 0.25 O ATOM 814 CB PHE A 643 -7.819 3.037 -0.488 1.00 0.24 C ATOM 815 CG PHE A 643 -7.990 2.220 0.764 1.00 0.21 C ATOM 816 CD1 PHE A 643 -9.226 1.687 1.096 1.00 0.26 C ATOM 817 CD2 PHE A 643 -6.916 1.988 1.605 1.00 0.27 C ATOM 818 CE1 PHE A 643 -9.384 0.937 2.246 1.00 0.35 C ATOM 819 CE2 PHE A 643 -7.068 1.238 2.756 1.00 0.33 C ATOM 820 CZ PHE A 643 -8.304 0.712 3.076 1.00 0.37 C ATOM 0 H PHE A 643 -8.262 4.207 -2.638 1.00 0.22 H new ATOM 0 HA PHE A 643 -9.799 3.808 -0.241 1.00 0.23 H new ATOM 0 HB2 PHE A 643 -7.892 2.379 -1.354 1.00 0.24 H new ATOM 0 HB3 PHE A 643 -6.817 3.466 -0.498 1.00 0.24 H new ATOM 0 HD1 PHE A 643 -10.074 1.860 0.450 1.00 0.26 H new ATOM 0 HD2 PHE A 643 -5.947 2.398 1.359 1.00 0.27 H new ATOM 0 HE1 PHE A 643 -10.352 0.527 2.495 1.00 0.35 H new ATOM 0 HE2 PHE A 643 -6.222 1.064 3.404 1.00 0.33 H new ATOM 0 HZ PHE A 643 -8.426 0.125 3.975 1.00 0.37 H new ATOM 830 N GLU A 644 -7.543 6.193 -0.433 1.00 0.22 N ATOM 831 CA GLU A 644 -7.067 7.408 0.213 1.00 0.24 C ATOM 832 C GLU A 644 -8.255 8.311 0.509 1.00 0.26 C ATOM 833 O GLU A 644 -8.282 9.024 1.511 1.00 0.29 O ATOM 834 CB GLU A 644 -6.058 8.134 -0.683 1.00 0.25 C ATOM 835 CG GLU A 644 -5.613 9.481 -0.136 1.00 0.33 C ATOM 836 CD GLU A 644 -6.222 10.648 -0.888 1.00 0.65 C ATOM 837 OE1 GLU A 644 -7.370 11.025 -0.569 1.00 1.01 O ATOM 838 OE2 GLU A 644 -5.553 11.184 -1.795 1.00 1.39 O ATOM 0 H GLU A 644 -7.160 6.031 -1.365 1.00 0.22 H new ATOM 0 HA GLU A 644 -6.565 7.148 1.145 1.00 0.24 H new ATOM 0 HB2 GLU A 644 -5.182 7.499 -0.817 1.00 0.25 H new ATOM 0 HB3 GLU A 644 -6.500 8.280 -1.669 1.00 0.25 H new ATOM 0 HG2 GLU A 644 -5.887 9.550 0.917 1.00 0.33 H new ATOM 0 HG3 GLU A 644 -4.526 9.548 -0.187 1.00 0.33 H new ATOM 845 N ILE A 645 -9.242 8.255 -0.377 1.00 0.27 N ATOM 846 CA ILE A 645 -10.457 9.044 -0.234 1.00 0.31 C ATOM 847 C ILE A 645 -11.341 8.479 0.877 1.00 0.31 C ATOM 848 O ILE A 645 -11.961 9.226 1.634 1.00 0.35 O ATOM 849 CB ILE A 645 -11.252 9.070 -1.558 1.00 0.36 C ATOM 850 CG1 ILE A 645 -10.552 9.970 -2.578 1.00 0.44 C ATOM 851 CG2 ILE A 645 -12.682 9.535 -1.327 1.00 0.43 C ATOM 852 CD1 ILE A 645 -10.947 9.683 -4.009 1.00 0.51 C ATOM 0 H ILE A 645 -9.223 7.665 -1.209 1.00 0.27 H new ATOM 0 HA ILE A 645 -10.163 10.061 0.026 1.00 0.31 H new ATOM 0 HB ILE A 645 -11.289 8.055 -1.954 1.00 0.36 H new ATOM 0 HG12 ILE A 645 -10.780 11.011 -2.349 1.00 0.44 H new ATOM 0 HG13 ILE A 645 -9.473 9.850 -2.476 1.00 0.44 H new ATOM 0 HG21 ILE A 645 -13.219 9.544 -2.275 1.00 0.43 H new ATOM 0 HG22 ILE A 645 -13.179 8.855 -0.635 1.00 0.43 H new ATOM 0 HG23 ILE A 645 -12.674 10.540 -0.905 1.00 0.43 H new ATOM 0 HD11 ILE A 645 -10.412 10.358 -4.677 1.00 0.51 H new ATOM 0 HD12 ILE A 645 -10.694 8.652 -4.257 1.00 0.51 H new ATOM 0 HD13 ILE A 645 -12.020 9.831 -4.127 1.00 0.51 H new ATOM 864 N GLU A 646 -11.394 7.153 0.959 1.00 0.30 N ATOM 865 CA GLU A 646 -12.203 6.473 1.967 1.00 0.33 C ATOM 866 C GLU A 646 -11.602 6.639 3.361 1.00 0.27 C ATOM 867 O GLU A 646 -12.324 6.667 4.359 1.00 0.29 O ATOM 868 CB GLU A 646 -12.329 4.985 1.623 1.00 0.41 C ATOM 869 CG GLU A 646 -12.908 4.138 2.747 1.00 0.70 C ATOM 870 CD GLU A 646 -13.339 2.761 2.280 1.00 1.38 C ATOM 871 OE1 GLU A 646 -12.724 2.238 1.327 1.00 1.99 O ATOM 872 OE2 GLU A 646 -14.290 2.207 2.868 1.00 1.90 O ATOM 0 H GLU A 646 -10.884 6.525 0.337 1.00 0.30 H new ATOM 0 HA GLU A 646 -13.194 6.927 1.969 1.00 0.33 H new ATOM 0 HB2 GLU A 646 -12.959 4.879 0.740 1.00 0.41 H new ATOM 0 HB3 GLU A 646 -11.344 4.598 1.360 1.00 0.41 H new ATOM 0 HG2 GLU A 646 -12.165 4.033 3.537 1.00 0.70 H new ATOM 0 HG3 GLU A 646 -13.764 4.654 3.181 1.00 0.70 H new ATOM 879 N GLY A 647 -10.281 6.750 3.423 1.00 0.23 N ATOM 880 CA GLY A 647 -9.610 6.912 4.700 1.00 0.25 C ATOM 881 C GLY A 647 -9.424 8.368 5.071 1.00 0.28 C ATOM 882 O GLY A 647 -9.958 8.831 6.079 1.00 0.65 O ATOM 0 H GLY A 647 -9.662 6.731 2.613 1.00 0.23 H new ATOM 0 HA2 GLY A 647 -10.188 6.412 5.477 1.00 0.25 H new ATOM 0 HA3 GLY A 647 -8.637 6.422 4.661 1.00 0.25 H new ATOM 886 N ASP A 648 -8.664 9.088 4.254 1.00 0.46 N ATOM 887 CA ASP A 648 -8.406 10.501 4.498 1.00 0.53 C ATOM 888 C ASP A 648 -9.664 11.334 4.266 1.00 0.61 C ATOM 889 O ASP A 648 -10.318 11.754 5.221 1.00 1.12 O ATOM 890 CB ASP A 648 -7.272 11.001 3.598 1.00 0.61 C ATOM 891 CG ASP A 648 -6.302 11.903 4.336 1.00 1.01 C ATOM 892 OD1 ASP A 648 -6.763 12.743 5.138 1.00 1.46 O ATOM 893 OD2 ASP A 648 -5.080 11.769 4.113 1.00 1.40 O ATOM 0 H ASP A 648 -8.216 8.716 3.417 1.00 0.46 H new ATOM 0 HA ASP A 648 -8.106 10.613 5.540 1.00 0.53 H new ATOM 0 HB2 ASP A 648 -6.731 10.146 3.191 1.00 0.61 H new ATOM 0 HB3 ASP A 648 -7.695 11.542 2.752 1.00 0.61 H new ATOM 898 N ARG A 649 -9.998 11.560 2.993 1.00 0.57 N ATOM 899 CA ARG A 649 -11.181 12.341 2.630 1.00 0.66 C ATOM 900 C ARG A 649 -11.240 12.579 1.126 1.00 0.72 C ATOM 901 O ARG A 649 -12.321 12.680 0.544 1.00 0.89 O ATOM 902 CB ARG A 649 -11.188 13.689 3.359 1.00 0.76 C ATOM 903 CG ARG A 649 -12.579 14.165 3.749 1.00 0.97 C ATOM 904 CD ARG A 649 -13.137 13.357 4.909 1.00 1.41 C ATOM 905 NE ARG A 649 -14.369 13.934 5.439 1.00 1.88 N ATOM 906 CZ ARG A 649 -15.163 13.309 6.304 1.00 2.63 C ATOM 907 NH1 ARG A 649 -14.854 12.091 6.733 1.00 2.98 N ATOM 908 NH2 ARG A 649 -16.265 13.901 6.744 1.00 3.19 N ATOM 0 H ARG A 649 -9.465 11.212 2.196 1.00 0.57 H new ATOM 0 HA ARG A 649 -12.057 11.766 2.931 1.00 0.66 H new ATOM 0 HB2 ARG A 649 -10.575 13.610 4.257 1.00 0.76 H new ATOM 0 HB3 ARG A 649 -10.722 14.440 2.721 1.00 0.76 H new ATOM 0 HG2 ARG A 649 -12.541 15.219 4.023 1.00 0.97 H new ATOM 0 HG3 ARG A 649 -13.247 14.083 2.892 1.00 0.97 H new ATOM 0 HD2 ARG A 649 -13.328 12.336 4.580 1.00 1.41 H new ATOM 0 HD3 ARG A 649 -12.392 13.302 5.703 1.00 1.41 H new ATOM 0 HE ARG A 649 -14.636 14.868 5.129 1.00 1.88 H new ATOM 0 HH11 ARG A 649 -14.006 11.633 6.399 1.00 2.98 H new ATOM 0 HH12 ARG A 649 -15.464 11.614 7.396 1.00 2.98 H new ATOM 0 HH21 ARG A 649 -16.505 14.838 6.419 1.00 3.19 H new ATOM 0 HH22 ARG A 649 -16.872 13.420 7.407 1.00 3.19 H new ATOM 922 N GLY A 650 -10.072 12.677 0.507 1.00 0.76 N ATOM 923 CA GLY A 650 -10.004 12.914 -0.921 1.00 0.89 C ATOM 924 C GLY A 650 -9.279 14.203 -1.242 1.00 0.90 C ATOM 925 O GLY A 650 -8.691 14.345 -2.314 1.00 1.02 O ATOM 0 H GLY A 650 -9.167 12.596 0.970 1.00 0.76 H new ATOM 0 HA2 GLY A 650 -9.495 12.080 -1.404 1.00 0.89 H new ATOM 0 HA3 GLY A 650 -11.013 12.952 -1.332 1.00 0.89 H new ATOM 929 N ALA A 651 -9.314 15.141 -0.299 1.00 0.85 N ATOM 930 CA ALA A 651 -8.649 16.425 -0.472 1.00 0.93 C ATOM 931 C ALA A 651 -7.137 16.240 -0.543 1.00 0.91 C ATOM 932 O ALA A 651 -6.406 17.159 -0.910 1.00 1.04 O ATOM 933 CB ALA A 651 -9.019 17.369 0.663 1.00 0.99 C ATOM 0 H ALA A 651 -9.797 15.034 0.593 1.00 0.85 H new ATOM 0 HA ALA A 651 -8.984 16.865 -1.411 1.00 0.93 H new ATOM 0 HB1 ALA A 651 -8.515 18.325 0.520 1.00 0.99 H new ATOM 0 HB2 ALA A 651 -10.098 17.525 0.669 1.00 0.99 H new ATOM 0 HB3 ALA A 651 -8.710 16.934 1.613 1.00 0.99 H new ATOM 939 N SER A 652 -6.679 15.040 -0.197 1.00 0.82 N ATOM 940 CA SER A 652 -5.259 14.725 -0.229 1.00 0.89 C ATOM 941 C SER A 652 -4.794 14.522 -1.668 1.00 1.07 C ATOM 942 O SER A 652 -5.281 15.184 -2.585 1.00 1.98 O ATOM 943 CB SER A 652 -4.978 13.471 0.605 1.00 0.80 C ATOM 944 OG SER A 652 -4.475 13.810 1.886 1.00 1.30 O ATOM 0 H SER A 652 -7.274 14.270 0.109 1.00 0.82 H new ATOM 0 HA SER A 652 -4.705 15.560 0.199 1.00 0.89 H new ATOM 0 HB2 SER A 652 -5.894 12.890 0.713 1.00 0.80 H new ATOM 0 HB3 SER A 652 -4.259 12.838 0.085 1.00 0.80 H new ATOM 0 HG SER A 652 -4.715 13.109 2.528 1.00 1.30 H new ATOM 950 N LYS A 653 -3.853 13.601 -1.861 1.00 0.61 N ATOM 951 CA LYS A 653 -3.322 13.306 -3.189 1.00 0.69 C ATOM 952 C LYS A 653 -2.287 12.187 -3.118 1.00 0.53 C ATOM 953 O LYS A 653 -2.416 11.165 -3.793 1.00 0.60 O ATOM 954 CB LYS A 653 -2.701 14.566 -3.804 1.00 0.94 C ATOM 955 CG LYS A 653 -1.716 14.287 -4.930 1.00 1.24 C ATOM 956 CD LYS A 653 -2.378 14.403 -6.293 1.00 1.67 C ATOM 957 CE LYS A 653 -1.356 14.652 -7.392 1.00 2.12 C ATOM 958 NZ LYS A 653 -1.463 13.650 -8.489 1.00 2.50 N ATOM 0 H LYS A 653 -3.441 13.045 -1.112 1.00 0.61 H new ATOM 0 HA LYS A 653 -4.144 12.974 -3.823 1.00 0.69 H new ATOM 0 HB2 LYS A 653 -3.500 15.203 -4.184 1.00 0.94 H new ATOM 0 HB3 LYS A 653 -2.191 15.126 -3.020 1.00 0.94 H new ATOM 0 HG2 LYS A 653 -0.884 14.988 -4.868 1.00 1.24 H new ATOM 0 HG3 LYS A 653 -1.300 13.287 -4.811 1.00 1.24 H new ATOM 0 HD2 LYS A 653 -2.930 13.488 -6.509 1.00 1.67 H new ATOM 0 HD3 LYS A 653 -3.103 15.217 -6.278 1.00 1.67 H new ATOM 0 HE2 LYS A 653 -1.498 15.653 -7.800 1.00 2.12 H new ATOM 0 HE3 LYS A 653 -0.352 14.620 -6.968 1.00 2.12 H new ATOM 0 HZ1 LYS A 653 -0.750 13.855 -9.217 1.00 2.50 H new ATOM 0 HZ2 LYS A 653 -1.302 12.697 -8.105 1.00 2.50 H new ATOM 0 HZ3 LYS A 653 -2.412 13.698 -8.911 1.00 2.50 H new ATOM 972 N ASN A 654 -1.261 12.386 -2.296 1.00 0.43 N ATOM 973 CA ASN A 654 -0.205 11.393 -2.136 1.00 0.36 C ATOM 974 C ASN A 654 -0.716 10.178 -1.369 1.00 0.31 C ATOM 975 O ASN A 654 -0.774 10.185 -0.139 1.00 0.36 O ATOM 976 CB ASN A 654 0.996 12.002 -1.411 1.00 0.46 C ATOM 977 CG ASN A 654 2.293 11.293 -1.750 1.00 0.85 C ATOM 978 OD1 ASN A 654 2.472 10.116 -1.436 1.00 1.63 O ATOM 979 ND2 ASN A 654 3.208 12.011 -2.391 1.00 1.50 N ATOM 0 H ASN A 654 -1.139 13.226 -1.731 1.00 0.43 H new ATOM 0 HA ASN A 654 0.108 11.070 -3.129 1.00 0.36 H new ATOM 0 HB2 ASN A 654 1.081 13.056 -1.675 1.00 0.46 H new ATOM 0 HB3 ASN A 654 0.830 11.956 -0.335 1.00 0.46 H new ATOM 0 HD21 ASN A 654 4.102 11.590 -2.643 1.00 1.50 H new ATOM 0 HD22 ASN A 654 3.017 12.984 -2.631 1.00 1.50 H new ATOM 986 N TRP A 655 -1.090 9.137 -2.106 1.00 0.29 N ATOM 987 CA TRP A 655 -1.603 7.913 -1.503 1.00 0.30 C ATOM 988 C TRP A 655 -0.483 7.113 -0.847 1.00 0.29 C ATOM 989 O TRP A 655 -0.731 6.287 0.033 1.00 0.32 O ATOM 990 CB TRP A 655 -2.302 7.053 -2.558 1.00 0.33 C ATOM 991 CG TRP A 655 -1.460 6.795 -3.771 1.00 0.34 C ATOM 992 CD1 TRP A 655 -1.469 7.500 -4.941 1.00 0.36 C ATOM 993 CD2 TRP A 655 -0.487 5.756 -3.936 1.00 0.37 C ATOM 994 NE1 TRP A 655 -0.561 6.963 -5.822 1.00 0.39 N ATOM 995 CE2 TRP A 655 0.054 5.893 -5.229 1.00 0.40 C ATOM 996 CE3 TRP A 655 -0.019 4.725 -3.116 1.00 0.40 C ATOM 997 CZ2 TRP A 655 1.038 5.037 -5.718 1.00 0.46 C ATOM 998 CZ3 TRP A 655 0.958 3.877 -3.604 1.00 0.46 C ATOM 999 CH2 TRP A 655 1.476 4.038 -4.895 1.00 0.49 C ATOM 0 H TRP A 655 -1.047 9.117 -3.125 1.00 0.29 H new ATOM 0 HA TRP A 655 -2.322 8.195 -0.734 1.00 0.30 H new ATOM 0 HB2 TRP A 655 -2.583 6.100 -2.111 1.00 0.33 H new ATOM 0 HB3 TRP A 655 -3.225 7.546 -2.864 1.00 0.33 H new ATOM 0 HD1 TRP A 655 -2.098 8.354 -5.144 1.00 0.36 H new ATOM 0 HE1 TRP A 655 -0.375 7.306 -6.765 1.00 0.39 H new ATOM 0 HE3 TRP A 655 -0.413 4.593 -2.119 1.00 0.40 H new ATOM 0 HZ2 TRP A 655 1.441 5.159 -6.713 1.00 0.46 H new ATOM 0 HZ3 TRP A 655 1.328 3.077 -2.979 1.00 0.46 H new ATOM 0 HH2 TRP A 655 2.238 3.358 -5.248 1.00 0.49 H new ATOM 1010 N LYS A 656 0.751 7.355 -1.282 1.00 0.28 N ATOM 1011 CA LYS A 656 1.902 6.649 -0.737 1.00 0.31 C ATOM 1012 C LYS A 656 2.140 7.025 0.721 1.00 0.25 C ATOM 1013 O LYS A 656 2.794 6.294 1.458 1.00 0.26 O ATOM 1014 CB LYS A 656 3.153 6.959 -1.563 1.00 0.43 C ATOM 1015 CG LYS A 656 2.902 6.992 -3.063 1.00 0.42 C ATOM 1016 CD LYS A 656 4.202 6.899 -3.848 1.00 0.81 C ATOM 1017 CE LYS A 656 4.066 7.521 -5.227 1.00 0.81 C ATOM 1018 NZ LYS A 656 3.988 9.007 -5.163 1.00 1.34 N ATOM 0 H LYS A 656 0.977 8.034 -2.009 1.00 0.28 H new ATOM 0 HA LYS A 656 1.693 5.580 -0.786 1.00 0.31 H new ATOM 0 HB2 LYS A 656 3.555 7.922 -1.249 1.00 0.43 H new ATOM 0 HB3 LYS A 656 3.915 6.210 -1.347 1.00 0.43 H new ATOM 0 HG2 LYS A 656 2.248 6.166 -3.342 1.00 0.42 H new ATOM 0 HG3 LYS A 656 2.382 7.913 -3.326 1.00 0.42 H new ATOM 0 HD2 LYS A 656 4.997 7.402 -3.298 1.00 0.81 H new ATOM 0 HD3 LYS A 656 4.495 5.854 -3.947 1.00 0.81 H new ATOM 0 HE2 LYS A 656 4.917 7.229 -5.842 1.00 0.81 H new ATOM 0 HE3 LYS A 656 3.172 7.132 -5.714 1.00 0.81 H new ATOM 0 HZ1 LYS A 656 4.185 9.406 -6.103 1.00 1.34 H new ATOM 0 HZ2 LYS A 656 3.035 9.292 -4.858 1.00 1.34 H new ATOM 0 HZ3 LYS A 656 4.690 9.362 -4.483 1.00 1.34 H new ATOM 1032 N LEU A 657 1.607 8.168 1.132 1.00 0.24 N ATOM 1033 CA LEU A 657 1.771 8.635 2.505 1.00 0.27 C ATOM 1034 C LEU A 657 0.454 8.589 3.274 1.00 0.26 C ATOM 1035 O LEU A 657 0.447 8.476 4.500 1.00 0.33 O ATOM 1036 CB LEU A 657 2.323 10.061 2.515 1.00 0.36 C ATOM 1037 CG LEU A 657 3.790 10.193 2.099 1.00 0.39 C ATOM 1038 CD1 LEU A 657 4.102 11.626 1.699 1.00 0.52 C ATOM 1039 CD2 LEU A 657 4.704 9.740 3.228 1.00 0.50 C ATOM 0 H LEU A 657 1.058 8.789 0.537 1.00 0.24 H new ATOM 0 HA LEU A 657 2.476 7.967 2.999 1.00 0.27 H new ATOM 0 HB2 LEU A 657 1.716 10.673 1.848 1.00 0.36 H new ATOM 0 HB3 LEU A 657 2.208 10.471 3.518 1.00 0.36 H new ATOM 0 HG LEU A 657 3.965 9.551 1.236 1.00 0.39 H new ATOM 0 HD11 LEU A 657 5.149 11.702 1.406 1.00 0.52 H new ATOM 0 HD12 LEU A 657 3.469 11.916 0.861 1.00 0.52 H new ATOM 0 HD13 LEU A 657 3.912 12.289 2.543 1.00 0.52 H new ATOM 0 HD21 LEU A 657 5.744 9.840 2.917 1.00 0.50 H new ATOM 0 HD22 LEU A 657 4.528 10.358 4.109 1.00 0.50 H new ATOM 0 HD23 LEU A 657 4.496 8.697 3.469 1.00 0.50 H new ATOM 1051 N SER A 658 -0.657 8.692 2.552 1.00 0.24 N ATOM 1052 CA SER A 658 -1.975 8.677 3.177 1.00 0.29 C ATOM 1053 C SER A 658 -2.362 7.274 3.641 1.00 0.25 C ATOM 1054 O SER A 658 -3.105 7.119 4.611 1.00 0.30 O ATOM 1055 CB SER A 658 -3.027 9.210 2.204 1.00 0.34 C ATOM 1056 OG SER A 658 -4.271 8.560 2.394 1.00 1.18 O ATOM 0 H SER A 658 -0.671 8.787 1.536 1.00 0.24 H new ATOM 0 HA SER A 658 -1.931 9.322 4.054 1.00 0.29 H new ATOM 0 HB2 SER A 658 -3.148 10.284 2.347 1.00 0.34 H new ATOM 0 HB3 SER A 658 -2.688 9.061 1.179 1.00 0.34 H new ATOM 0 HG SER A 658 -4.384 7.864 1.713 1.00 1.18 H new ATOM 1062 N ILE A 659 -1.860 6.256 2.949 1.00 0.18 N ATOM 1063 CA ILE A 659 -2.166 4.874 3.303 1.00 0.15 C ATOM 1064 C ILE A 659 -0.954 4.176 3.908 1.00 0.13 C ATOM 1065 O ILE A 659 0.176 4.394 3.478 1.00 0.13 O ATOM 1066 CB ILE A 659 -2.647 4.069 2.080 1.00 0.17 C ATOM 1067 CG1 ILE A 659 -3.732 4.844 1.329 1.00 0.20 C ATOM 1068 CG2 ILE A 659 -3.159 2.702 2.516 1.00 0.18 C ATOM 1069 CD1 ILE A 659 -4.254 4.128 0.102 1.00 0.27 C ATOM 0 H ILE A 659 -1.243 6.361 2.144 1.00 0.18 H new ATOM 0 HA ILE A 659 -2.967 4.912 4.042 1.00 0.15 H new ATOM 0 HB ILE A 659 -1.806 3.918 1.404 1.00 0.17 H new ATOM 0 HG12 ILE A 659 -4.563 5.037 2.007 1.00 0.20 H new ATOM 0 HG13 ILE A 659 -3.333 5.813 1.031 1.00 0.20 H new ATOM 0 HG21 ILE A 659 -3.496 2.144 1.642 1.00 0.18 H new ATOM 0 HG22 ILE A 659 -2.357 2.154 3.010 1.00 0.18 H new ATOM 0 HG23 ILE A 659 -3.991 2.829 3.208 1.00 0.18 H new ATOM 0 HD11 ILE A 659 -5.019 4.738 -0.377 1.00 0.27 H new ATOM 0 HD12 ILE A 659 -3.435 3.959 -0.597 1.00 0.27 H new ATOM 0 HD13 ILE A 659 -4.684 3.170 0.395 1.00 0.27 H new ATOM 1081 N ARG A 660 -1.203 3.332 4.905 1.00 0.17 N ATOM 1082 CA ARG A 660 -0.136 2.595 5.574 1.00 0.17 C ATOM 1083 C ARG A 660 -0.220 1.106 5.251 1.00 0.20 C ATOM 1084 O ARG A 660 -1.220 0.635 4.711 1.00 0.20 O ATOM 1085 CB ARG A 660 -0.205 2.804 7.090 1.00 0.19 C ATOM 1086 CG ARG A 660 -0.691 4.187 7.498 1.00 0.18 C ATOM 1087 CD ARG A 660 -0.413 4.462 8.967 1.00 0.32 C ATOM 1088 NE ARG A 660 -1.573 5.037 9.646 1.00 0.66 N ATOM 1089 CZ ARG A 660 -1.713 5.067 10.968 1.00 1.09 C ATOM 1090 NH1 ARG A 660 -0.773 4.553 11.751 1.00 1.74 N ATOM 1091 NH2 ARG A 660 -2.795 5.611 11.510 1.00 1.43 N ATOM 0 H ARG A 660 -2.137 3.141 5.268 1.00 0.17 H new ATOM 0 HA ARG A 660 0.817 2.978 5.208 1.00 0.17 H new ATOM 0 HB2 ARG A 660 -0.869 2.054 7.521 1.00 0.19 H new ATOM 0 HB3 ARG A 660 0.784 2.637 7.516 1.00 0.19 H new ATOM 0 HG2 ARG A 660 -0.199 4.942 6.885 1.00 0.18 H new ATOM 0 HG3 ARG A 660 -1.761 4.269 7.307 1.00 0.18 H new ATOM 0 HD2 ARG A 660 -0.127 3.534 9.462 1.00 0.32 H new ATOM 0 HD3 ARG A 660 0.433 5.144 9.054 1.00 0.32 H new ATOM 0 HE ARG A 660 -2.316 5.437 9.074 1.00 0.66 H new ATOM 0 HH11 ARG A 660 0.060 4.133 11.339 1.00 1.74 H new ATOM 0 HH12 ARG A 660 -0.884 4.578 12.765 1.00 1.74 H new ATOM 0 HH21 ARG A 660 -3.521 6.007 10.912 1.00 1.43 H new ATOM 0 HH22 ARG A 660 -2.901 5.633 12.524 1.00 1.43 H new ATOM 1105 N CYS A 661 0.837 0.372 5.582 1.00 0.25 N ATOM 1106 CA CYS A 661 0.883 -1.064 5.329 1.00 0.29 C ATOM 1107 C CYS A 661 1.491 -1.802 6.515 1.00 0.33 C ATOM 1108 O CYS A 661 2.713 -1.872 6.652 1.00 0.36 O ATOM 1109 CB CYS A 661 1.698 -1.352 4.069 1.00 0.33 C ATOM 1110 SG CYS A 661 1.089 -2.750 3.098 1.00 1.57 S ATOM 0 H CYS A 661 1.674 0.748 6.027 1.00 0.25 H new ATOM 0 HA CYS A 661 -0.138 -1.417 5.185 1.00 0.29 H new ATOM 0 HB2 CYS A 661 1.702 -0.461 3.441 1.00 0.33 H new ATOM 0 HB3 CYS A 661 2.732 -1.545 4.355 1.00 0.33 H new ATOM 0 HG CYS A 661 1.542 -2.664 1.882 1.00 1.57 H new ATOM 1116 N GLY A 662 0.632 -2.351 7.371 1.00 0.36 N ATOM 1117 CA GLY A 662 1.106 -3.074 8.539 1.00 0.42 C ATOM 1118 C GLY A 662 2.015 -2.233 9.414 1.00 0.38 C ATOM 1119 O GLY A 662 2.651 -2.746 10.336 1.00 0.54 O ATOM 0 H GLY A 662 -0.383 -2.308 7.277 1.00 0.36 H new ATOM 0 HA2 GLY A 662 0.251 -3.410 9.126 1.00 0.42 H new ATOM 0 HA3 GLY A 662 1.642 -3.967 8.217 1.00 0.42 H new ATOM 1123 N GLY A 663 2.078 -0.936 9.122 1.00 0.34 N ATOM 1124 CA GLY A 663 2.917 -0.036 9.889 1.00 0.29 C ATOM 1125 C GLY A 663 3.474 1.097 9.046 1.00 0.23 C ATOM 1126 O GLY A 663 3.210 2.268 9.319 1.00 0.27 O ATOM 0 H GLY A 663 1.560 -0.493 8.364 1.00 0.34 H new ATOM 0 HA2 GLY A 663 2.339 0.379 10.715 1.00 0.29 H new ATOM 0 HA3 GLY A 663 3.742 -0.598 10.328 1.00 0.29 H new ATOM 1130 N TYR A 664 4.248 0.748 8.020 1.00 0.20 N ATOM 1131 CA TYR A 664 4.843 1.745 7.137 1.00 0.17 C ATOM 1132 C TYR A 664 3.987 1.955 5.890 1.00 0.15 C ATOM 1133 O TYR A 664 3.432 1.005 5.341 1.00 0.17 O ATOM 1134 CB TYR A 664 6.255 1.317 6.731 1.00 0.22 C ATOM 1135 CG TYR A 664 7.137 0.947 7.902 1.00 0.31 C ATOM 1136 CD1 TYR A 664 7.107 -0.331 8.443 1.00 0.48 C ATOM 1137 CD2 TYR A 664 8.000 1.878 8.466 1.00 0.45 C ATOM 1138 CE1 TYR A 664 7.912 -0.673 9.513 1.00 0.61 C ATOM 1139 CE2 TYR A 664 8.808 1.545 9.536 1.00 0.59 C ATOM 1140 CZ TYR A 664 8.760 0.267 10.055 1.00 0.62 C ATOM 1141 OH TYR A 664 9.565 -0.066 11.119 1.00 0.78 O ATOM 0 H TYR A 664 4.477 -0.217 7.781 1.00 0.20 H new ATOM 0 HA TYR A 664 4.895 2.688 7.681 1.00 0.17 H new ATOM 0 HB2 TYR A 664 6.187 0.465 6.055 1.00 0.22 H new ATOM 0 HB3 TYR A 664 6.725 2.128 6.175 1.00 0.22 H new ATOM 0 HD1 TYR A 664 6.443 -1.071 8.020 1.00 0.48 H new ATOM 0 HD2 TYR A 664 8.040 2.879 8.061 1.00 0.45 H new ATOM 0 HE1 TYR A 664 7.876 -1.672 9.922 1.00 0.61 H new ATOM 0 HE2 TYR A 664 9.473 2.280 9.964 1.00 0.59 H new ATOM 0 HH TYR A 664 10.102 0.711 11.379 1.00 0.78 H new ATOM 1151 N THR A 665 3.892 3.205 5.450 1.00 0.14 N ATOM 1152 CA THR A 665 3.108 3.549 4.267 1.00 0.14 C ATOM 1153 C THR A 665 3.785 3.045 2.996 1.00 0.16 C ATOM 1154 O THR A 665 4.921 2.580 3.041 1.00 0.23 O ATOM 1155 CB THR A 665 2.913 5.073 4.156 1.00 0.16 C ATOM 1156 OG1 THR A 665 4.142 5.696 3.763 1.00 0.21 O ATOM 1157 CG2 THR A 665 2.443 5.658 5.480 1.00 0.26 C ATOM 0 H THR A 665 4.350 4.000 5.896 1.00 0.14 H new ATOM 0 HA THR A 665 2.136 3.067 4.375 1.00 0.14 H new ATOM 0 HB THR A 665 2.150 5.265 3.402 1.00 0.16 H new ATOM 0 HG1 THR A 665 4.003 6.200 2.934 1.00 0.21 H new ATOM 0 HG21 THR A 665 2.313 6.735 5.376 1.00 0.26 H new ATOM 0 HG22 THR A 665 1.494 5.203 5.762 1.00 0.26 H new ATOM 0 HG23 THR A 665 3.186 5.455 6.251 1.00 0.26 H new ATOM 1165 N LEU A 666 3.088 3.148 1.863 1.00 0.16 N ATOM 1166 CA LEU A 666 3.648 2.708 0.586 1.00 0.19 C ATOM 1167 C LEU A 666 4.900 3.509 0.275 1.00 0.21 C ATOM 1168 O LEU A 666 5.829 3.014 -0.363 1.00 0.24 O ATOM 1169 CB LEU A 666 2.636 2.874 -0.557 1.00 0.21 C ATOM 1170 CG LEU A 666 1.389 1.987 -0.476 1.00 0.20 C ATOM 1171 CD1 LEU A 666 1.765 0.539 -0.193 1.00 0.20 C ATOM 1172 CD2 LEU A 666 0.453 2.511 0.596 1.00 0.25 C ATOM 0 H LEU A 666 2.144 3.529 1.804 1.00 0.16 H new ATOM 0 HA LEU A 666 3.894 1.650 0.672 1.00 0.19 H new ATOM 0 HB2 LEU A 666 2.317 3.916 -0.586 1.00 0.21 H new ATOM 0 HB3 LEU A 666 3.144 2.670 -1.500 1.00 0.21 H new ATOM 0 HG LEU A 666 0.880 2.018 -1.439 1.00 0.20 H new ATOM 0 HD11 LEU A 666 0.861 -0.068 -0.141 1.00 0.20 H new ATOM 0 HD12 LEU A 666 2.406 0.167 -0.992 1.00 0.20 H new ATOM 0 HD13 LEU A 666 2.297 0.480 0.757 1.00 0.20 H new ATOM 0 HD21 LEU A 666 -0.432 1.876 0.649 1.00 0.25 H new ATOM 0 HD22 LEU A 666 0.963 2.504 1.559 1.00 0.25 H new ATOM 0 HD23 LEU A 666 0.154 3.530 0.351 1.00 0.25 H new ATOM 1184 N LYS A 667 4.919 4.751 0.748 1.00 0.20 N ATOM 1185 CA LYS A 667 6.057 5.630 0.545 1.00 0.23 C ATOM 1186 C LYS A 667 7.279 5.055 1.249 1.00 0.24 C ATOM 1187 O LYS A 667 8.395 5.096 0.728 1.00 0.29 O ATOM 1188 CB LYS A 667 5.751 7.032 1.078 1.00 0.25 C ATOM 1189 CG LYS A 667 6.785 8.074 0.683 1.00 0.42 C ATOM 1190 CD LYS A 667 6.192 9.127 -0.239 1.00 1.05 C ATOM 1191 CE LYS A 667 7.010 9.277 -1.512 1.00 1.68 C ATOM 1192 NZ LYS A 667 8.237 10.093 -1.293 1.00 2.05 N ATOM 0 H LYS A 667 4.154 5.170 1.277 1.00 0.20 H new ATOM 0 HA LYS A 667 6.261 5.705 -0.523 1.00 0.23 H new ATOM 0 HB2 LYS A 667 4.774 7.345 0.711 1.00 0.25 H new ATOM 0 HB3 LYS A 667 5.686 6.992 2.165 1.00 0.25 H new ATOM 0 HG2 LYS A 667 7.180 8.554 1.579 1.00 0.42 H new ATOM 0 HG3 LYS A 667 7.624 7.586 0.187 1.00 0.42 H new ATOM 0 HD2 LYS A 667 5.168 8.854 -0.493 1.00 1.05 H new ATOM 0 HD3 LYS A 667 6.147 10.084 0.281 1.00 1.05 H new ATOM 0 HE2 LYS A 667 7.291 8.291 -1.881 1.00 1.68 H new ATOM 0 HE3 LYS A 667 6.398 9.743 -2.284 1.00 1.68 H new ATOM 0 HZ1 LYS A 667 8.766 10.171 -2.185 1.00 2.05 H new ATOM 0 HZ2 LYS A 667 7.968 11.043 -0.966 1.00 2.05 H new ATOM 0 HZ3 LYS A 667 8.835 9.636 -0.575 1.00 2.05 H new ATOM 1206 N VAL A 668 7.050 4.506 2.440 1.00 0.25 N ATOM 1207 CA VAL A 668 8.119 3.907 3.225 1.00 0.30 C ATOM 1208 C VAL A 668 8.471 2.524 2.691 1.00 0.30 C ATOM 1209 O VAL A 668 9.637 2.137 2.680 1.00 0.38 O ATOM 1210 CB VAL A 668 7.740 3.791 4.714 1.00 0.34 C ATOM 1211 CG1 VAL A 668 8.990 3.726 5.577 1.00 0.44 C ATOM 1212 CG2 VAL A 668 6.856 4.954 5.138 1.00 0.47 C ATOM 0 H VAL A 668 6.131 4.465 2.880 1.00 0.25 H new ATOM 0 HA VAL A 668 8.983 4.566 3.137 1.00 0.30 H new ATOM 0 HB VAL A 668 7.176 2.868 4.853 1.00 0.34 H new ATOM 0 HG11 VAL A 668 8.704 3.644 6.626 1.00 0.44 H new ATOM 0 HG12 VAL A 668 9.583 2.856 5.294 1.00 0.44 H new ATOM 0 HG13 VAL A 668 9.580 4.631 5.431 1.00 0.44 H new ATOM 0 HG21 VAL A 668 6.601 4.851 6.193 1.00 0.47 H new ATOM 0 HG22 VAL A 668 7.390 5.892 4.983 1.00 0.47 H new ATOM 0 HG23 VAL A 668 5.943 4.953 4.542 1.00 0.47 H new ATOM 1222 N LEU A 669 7.458 1.783 2.240 1.00 0.26 N ATOM 1223 CA LEU A 669 7.680 0.448 1.697 1.00 0.32 C ATOM 1224 C LEU A 669 8.492 0.544 0.418 1.00 0.38 C ATOM 1225 O LEU A 669 9.299 -0.332 0.114 1.00 0.47 O ATOM 1226 CB LEU A 669 6.350 -0.251 1.407 1.00 0.36 C ATOM 1227 CG LEU A 669 5.843 -1.182 2.512 1.00 0.34 C ATOM 1228 CD1 LEU A 669 5.561 -0.403 3.785 1.00 0.36 C ATOM 1229 CD2 LEU A 669 4.595 -1.920 2.050 1.00 0.38 C ATOM 0 H LEU A 669 6.484 2.084 2.241 1.00 0.26 H new ATOM 0 HA LEU A 669 8.226 -0.137 2.437 1.00 0.32 H new ATOM 0 HB2 LEU A 669 5.592 0.510 1.220 1.00 0.36 H new ATOM 0 HB3 LEU A 669 6.455 -0.828 0.489 1.00 0.36 H new ATOM 0 HG LEU A 669 6.621 -1.915 2.728 1.00 0.34 H new ATOM 0 HD11 LEU A 669 5.202 -1.084 4.556 1.00 0.36 H new ATOM 0 HD12 LEU A 669 6.476 0.081 4.126 1.00 0.36 H new ATOM 0 HD13 LEU A 669 4.802 0.354 3.588 1.00 0.36 H new ATOM 0 HD21 LEU A 669 4.246 -2.578 2.846 1.00 0.38 H new ATOM 0 HD22 LEU A 669 3.815 -1.199 1.807 1.00 0.38 H new ATOM 0 HD23 LEU A 669 4.829 -2.513 1.166 1.00 0.38 H new ATOM 1241 N MET A 670 8.285 1.629 -0.318 1.00 0.36 N ATOM 1242 CA MET A 670 9.020 1.849 -1.554 1.00 0.44 C ATOM 1243 C MET A 670 10.403 2.403 -1.239 1.00 0.47 C ATOM 1244 O MET A 670 11.270 2.494 -2.108 1.00 0.55 O ATOM 1245 CB MET A 670 8.248 2.785 -2.490 1.00 0.48 C ATOM 1246 CG MET A 670 8.483 4.265 -2.237 1.00 0.45 C ATOM 1247 SD MET A 670 8.184 5.277 -3.703 1.00 0.71 S ATOM 1248 CE MET A 670 6.766 4.448 -4.426 1.00 0.70 C ATOM 0 H MET A 670 7.619 2.365 -0.082 1.00 0.36 H new ATOM 0 HA MET A 670 9.137 0.896 -2.070 1.00 0.44 H new ATOM 0 HB2 MET A 670 8.524 2.557 -3.520 1.00 0.48 H new ATOM 0 HB3 MET A 670 7.182 2.578 -2.392 1.00 0.48 H new ATOM 0 HG2 MET A 670 7.831 4.600 -1.430 1.00 0.45 H new ATOM 0 HG3 MET A 670 9.509 4.414 -1.901 1.00 0.45 H new ATOM 0 HE1 MET A 670 6.276 5.116 -5.134 1.00 0.70 H new ATOM 0 HE2 MET A 670 7.096 3.548 -4.945 1.00 0.70 H new ATOM 0 HE3 MET A 670 6.064 4.175 -3.638 1.00 0.70 H new ATOM 1258 N GLU A 671 10.593 2.761 0.027 1.00 0.42 N ATOM 1259 CA GLU A 671 11.861 3.298 0.502 1.00 0.47 C ATOM 1260 C GLU A 671 12.657 2.224 1.244 1.00 0.51 C ATOM 1261 O GLU A 671 13.880 2.308 1.352 1.00 0.59 O ATOM 1262 CB GLU A 671 11.612 4.495 1.424 1.00 0.45 C ATOM 1263 CG GLU A 671 12.613 5.624 1.246 1.00 0.88 C ATOM 1264 CD GLU A 671 12.736 6.495 2.482 1.00 1.56 C ATOM 1265 OE1 GLU A 671 12.602 5.960 3.603 1.00 1.90 O ATOM 1266 OE2 GLU A 671 12.963 7.714 2.329 1.00 2.39 O ATOM 0 H GLU A 671 9.876 2.687 0.748 1.00 0.42 H new ATOM 0 HA GLU A 671 12.441 3.626 -0.360 1.00 0.47 H new ATOM 0 HB2 GLU A 671 10.608 4.880 1.242 1.00 0.45 H new ATOM 0 HB3 GLU A 671 11.641 4.156 2.460 1.00 0.45 H new ATOM 0 HG2 GLU A 671 13.589 5.204 1.003 1.00 0.88 H new ATOM 0 HG3 GLU A 671 12.312 6.241 0.400 1.00 0.88 H new ATOM 1273 N ASN A 672 11.949 1.219 1.760 1.00 0.47 N ATOM 1274 CA ASN A 672 12.579 0.132 2.502 1.00 0.53 C ATOM 1275 C ASN A 672 12.960 -1.017 1.574 1.00 0.60 C ATOM 1276 O ASN A 672 14.125 -1.165 1.202 1.00 0.72 O ATOM 1277 CB ASN A 672 11.636 -0.372 3.598 1.00 0.50 C ATOM 1278 CG ASN A 672 11.453 0.638 4.715 1.00 0.82 C ATOM 1279 OD1 ASN A 672 12.426 1.178 5.242 1.00 1.54 O ATOM 1280 ND2 ASN A 672 10.203 0.900 5.082 1.00 0.62 N ATOM 0 H ASN A 672 10.936 1.137 1.676 1.00 0.47 H new ATOM 0 HA ASN A 672 13.490 0.517 2.960 1.00 0.53 H new ATOM 0 HB2 ASN A 672 10.665 -0.604 3.160 1.00 0.50 H new ATOM 0 HB3 ASN A 672 12.029 -1.300 4.012 1.00 0.50 H new ATOM 0 HD21 ASN A 672 10.021 1.572 5.828 1.00 0.62 H new ATOM 0 HD22 ASN A 672 9.426 0.429 4.618 1.00 0.62 H new ATOM 1287 N LYS A 673 11.973 -1.829 1.207 1.00 0.59 N ATOM 1288 CA LYS A 673 12.208 -2.969 0.325 1.00 0.69 C ATOM 1289 C LYS A 673 10.902 -3.606 -0.152 1.00 0.68 C ATOM 1290 O LYS A 673 10.914 -4.675 -0.763 1.00 0.95 O ATOM 1291 CB LYS A 673 13.067 -4.021 1.031 1.00 0.87 C ATOM 1292 CG LYS A 673 12.626 -4.315 2.457 1.00 0.94 C ATOM 1293 CD LYS A 673 13.583 -5.274 3.146 1.00 1.46 C ATOM 1294 CE LYS A 673 13.249 -6.721 2.825 1.00 1.87 C ATOM 1295 NZ LYS A 673 13.967 -7.669 3.721 1.00 2.62 N ATOM 0 H LYS A 673 11.004 -1.720 1.506 1.00 0.59 H new ATOM 0 HA LYS A 673 12.736 -2.593 -0.551 1.00 0.69 H new ATOM 0 HB2 LYS A 673 13.040 -4.945 0.454 1.00 0.87 H new ATOM 0 HB3 LYS A 673 14.103 -3.683 1.043 1.00 0.87 H new ATOM 0 HG2 LYS A 673 12.571 -3.384 3.022 1.00 0.94 H new ATOM 0 HG3 LYS A 673 11.623 -4.742 2.449 1.00 0.94 H new ATOM 0 HD2 LYS A 673 14.605 -5.057 2.833 1.00 1.46 H new ATOM 0 HD3 LYS A 673 13.540 -5.120 4.224 1.00 1.46 H new ATOM 0 HE2 LYS A 673 12.174 -6.875 2.920 1.00 1.87 H new ATOM 0 HE3 LYS A 673 13.511 -6.933 1.788 1.00 1.87 H new ATOM 0 HZ1 LYS A 673 13.712 -8.645 3.469 1.00 2.62 H new ATOM 0 HZ2 LYS A 673 14.993 -7.540 3.612 1.00 2.62 H new ATOM 0 HZ3 LYS A 673 13.698 -7.485 4.709 1.00 2.62 H new