USER MOD reduce.3.24.130724 H: found=0, std=0, add=605, rem=0, adj=20 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 -142:sc= -6.75! USER MOD Set 1.2: A 652 SER OG : rot -77:sc= 0.137 USER MOD Set 1.3: A 658 SER OG : rot 135:sc= -1.62! USER MOD Single : A 599 ASN : amide:sc= -0.309 K(o=-0.31,f=-2.9!) USER MOD Single : A 601 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 602 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 603 SER OG : rot 180:sc= -0.0443 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= 0.0194 USER MOD Single : A 617 TYR OH : rot 180:sc= 0 USER MOD Single : A 618 LYS NZ :NH3+ -176:sc= -1.34 (180deg=-1.38) USER MOD Single : A 622 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 623 GLN : amide:sc= -1.03 K(o=-1,f=-0.054) USER MOD Single : A 625 THR OG1 : rot -18:sc= 0.818 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 629 CYS SG : rot -67:sc= -0.44 USER MOD Single : A 631 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 632 SER OG : rot 94:sc= 0.302 USER MOD Single : A 636 LYS NZ :NH3+ 149:sc= -0.0494 (180deg=-0.894) USER MOD Single : A 639 THR OG1 : rot 180:sc= 0.037 USER MOD Single : A 653 LYS NZ :NH3+ -125:sc= -0.0569 (180deg=-1.6!) USER MOD Single : A 654 ASN : amide:sc= -0.522 X(o=-0.52,f=-0.52) USER MOD Single : A 656 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0481) USER MOD Single : A 661 CYS SG : rot -25:sc= -0.596 USER MOD Single : A 664 TYR OH : rot 180:sc= 0 USER MOD Single : A 665 THR OG1 : rot 180:sc= -0.0118 USER MOD Single : A 667 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 670 MET CE :methyl 151:sc= -0.205 (180deg=-1.72!) USER MOD Single : A 672 ASN : amide:sc= -1.77! C(o=-1.8!,f=-2.1!) USER MOD Single : A 673 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 61 N ILE A 598 5.860 -7.265 8.729 1.00 0.87 N ATOM 62 CA ILE A 598 4.821 -7.471 7.726 1.00 0.64 C ATOM 63 C ILE A 598 5.337 -8.312 6.561 1.00 0.66 C ATOM 64 O ILE A 598 6.119 -7.837 5.737 1.00 0.79 O ATOM 65 CB ILE A 598 4.290 -6.126 7.189 1.00 0.49 C ATOM 66 CG1 ILE A 598 3.600 -5.345 8.307 1.00 0.69 C ATOM 67 CG2 ILE A 598 3.330 -6.350 6.031 1.00 0.35 C ATOM 68 CD1 ILE A 598 4.105 -3.928 8.453 1.00 0.83 C ATOM 0 HA ILE A 598 4.006 -8.005 8.215 1.00 0.64 H new ATOM 0 HB ILE A 598 5.136 -5.544 6.824 1.00 0.49 H new ATOM 0 HG12 ILE A 598 2.527 -5.322 8.115 1.00 0.69 H new ATOM 0 HG13 ILE A 598 3.744 -5.872 9.250 1.00 0.69 H new ATOM 0 HG21 ILE A 598 2.968 -5.388 5.668 1.00 0.35 H new ATOM 0 HG22 ILE A 598 3.847 -6.871 5.225 1.00 0.35 H new ATOM 0 HG23 ILE A 598 2.486 -6.951 6.369 1.00 0.35 H new ATOM 0 HD11 ILE A 598 3.571 -3.433 9.265 1.00 0.83 H new ATOM 0 HD12 ILE A 598 5.172 -3.943 8.676 1.00 0.83 H new ATOM 0 HD13 ILE A 598 3.937 -3.384 7.524 1.00 0.83 H new ATOM 80 N ASN A 599 4.888 -9.561 6.501 1.00 0.73 N ATOM 81 CA ASN A 599 5.294 -10.476 5.440 1.00 0.83 C ATOM 82 C ASN A 599 4.425 -10.287 4.200 1.00 0.95 C ATOM 83 O ASN A 599 3.202 -10.409 4.265 1.00 1.52 O ATOM 84 CB ASN A 599 5.200 -11.924 5.926 1.00 0.98 C ATOM 85 CG ASN A 599 6.557 -12.597 6.015 1.00 1.45 C ATOM 86 OD1 ASN A 599 7.564 -12.053 5.564 1.00 2.10 O ATOM 87 ND2 ASN A 599 6.587 -13.789 6.598 1.00 2.19 N ATOM 0 H ASN A 599 4.240 -9.964 7.178 1.00 0.73 H new ATOM 0 HA ASN A 599 6.328 -10.254 5.176 1.00 0.83 H new ATOM 0 HB2 ASN A 599 4.723 -11.945 6.906 1.00 0.98 H new ATOM 0 HB3 ASN A 599 4.561 -12.490 5.248 1.00 0.98 H new ATOM 0 HD21 ASN A 599 7.470 -14.292 6.686 1.00 2.19 H new ATOM 0 HD22 ASN A 599 5.727 -14.202 6.958 1.00 2.19 H new ATOM 94 N PHE A 600 5.065 -9.989 3.074 1.00 0.69 N ATOM 95 CA PHE A 600 4.347 -9.781 1.821 1.00 0.82 C ATOM 96 C PHE A 600 4.227 -11.083 1.034 1.00 0.89 C ATOM 97 O PHE A 600 3.615 -11.119 -0.034 1.00 1.04 O ATOM 98 CB PHE A 600 5.048 -8.711 0.979 1.00 0.93 C ATOM 99 CG PHE A 600 6.247 -9.214 0.226 1.00 1.05 C ATOM 100 CD1 PHE A 600 7.452 -9.427 0.877 1.00 1.38 C ATOM 101 CD2 PHE A 600 6.169 -9.477 -1.133 1.00 1.21 C ATOM 102 CE1 PHE A 600 8.555 -9.891 0.187 1.00 1.92 C ATOM 103 CE2 PHE A 600 7.269 -9.941 -1.828 1.00 1.63 C ATOM 104 CZ PHE A 600 8.465 -10.142 -1.169 1.00 2.02 C ATOM 0 H PHE A 600 6.077 -9.886 3.003 1.00 0.69 H new ATOM 0 HA PHE A 600 3.340 -9.438 2.060 1.00 0.82 H new ATOM 0 HB2 PHE A 600 4.333 -8.297 0.268 1.00 0.93 H new ATOM 0 HB3 PHE A 600 5.358 -7.895 1.632 1.00 0.93 H new ATOM 0 HD1 PHE A 600 7.529 -9.228 1.936 1.00 1.38 H new ATOM 0 HD2 PHE A 600 5.237 -9.317 -1.655 1.00 1.21 H new ATOM 0 HE1 PHE A 600 9.487 -10.057 0.707 1.00 1.92 H new ATOM 0 HE2 PHE A 600 7.193 -10.146 -2.886 1.00 1.63 H new ATOM 0 HZ PHE A 600 9.329 -10.495 -1.712 1.00 2.02 H new ATOM 114 N LYS A 601 4.816 -12.148 1.567 1.00 0.87 N ATOM 115 CA LYS A 601 4.778 -13.452 0.914 1.00 1.02 C ATOM 116 C LYS A 601 3.488 -14.198 1.244 1.00 0.99 C ATOM 117 O LYS A 601 3.277 -15.323 0.785 1.00 1.13 O ATOM 118 CB LYS A 601 5.981 -14.289 1.337 1.00 1.16 C ATOM 119 CG LYS A 601 7.086 -14.316 0.297 1.00 1.16 C ATOM 120 CD LYS A 601 6.697 -15.159 -0.906 1.00 1.78 C ATOM 121 CE LYS A 601 6.878 -14.393 -2.206 1.00 2.40 C ATOM 122 NZ LYS A 601 5.809 -14.715 -3.192 1.00 3.20 N ATOM 0 H LYS A 601 5.326 -12.134 2.450 1.00 0.87 H new ATOM 0 HA LYS A 601 4.813 -13.288 -0.163 1.00 1.02 H new ATOM 0 HB2 LYS A 601 6.380 -13.894 2.271 1.00 1.16 H new ATOM 0 HB3 LYS A 601 5.654 -15.309 1.536 1.00 1.16 H new ATOM 0 HG2 LYS A 601 7.308 -13.299 -0.026 1.00 1.16 H new ATOM 0 HG3 LYS A 601 7.997 -14.715 0.743 1.00 1.16 H new ATOM 0 HD2 LYS A 601 7.304 -16.064 -0.929 1.00 1.78 H new ATOM 0 HD3 LYS A 601 5.658 -15.474 -0.810 1.00 1.78 H new ATOM 0 HE2 LYS A 601 6.872 -13.323 -2.001 1.00 2.40 H new ATOM 0 HE3 LYS A 601 7.852 -14.630 -2.635 1.00 2.40 H new ATOM 0 HZ1 LYS A 601 5.967 -14.173 -4.065 1.00 3.20 H new ATOM 0 HZ2 LYS A 601 5.830 -15.732 -3.407 1.00 3.20 H new ATOM 0 HZ3 LYS A 601 4.882 -14.465 -2.793 1.00 3.20 H new ATOM 136 N GLN A 602 2.632 -13.572 2.045 1.00 0.85 N ATOM 137 CA GLN A 602 1.366 -14.183 2.441 1.00 0.89 C ATOM 138 C GLN A 602 0.271 -13.903 1.416 1.00 0.98 C ATOM 139 O GLN A 602 -0.880 -14.299 1.608 1.00 1.98 O ATOM 140 CB GLN A 602 0.934 -13.666 3.815 1.00 0.87 C ATOM 141 CG GLN A 602 2.094 -13.439 4.772 1.00 0.78 C ATOM 142 CD GLN A 602 2.659 -14.734 5.319 1.00 0.99 C ATOM 143 OE1 GLN A 602 2.085 -15.344 6.222 1.00 1.25 O ATOM 144 NE2 GLN A 602 3.791 -15.163 4.773 1.00 1.15 N ATOM 0 H GLN A 602 2.791 -12.642 2.433 1.00 0.85 H new ATOM 0 HA GLN A 602 1.519 -15.261 2.493 1.00 0.89 H new ATOM 0 HB2 GLN A 602 0.391 -12.730 3.687 1.00 0.87 H new ATOM 0 HB3 GLN A 602 0.240 -14.379 4.261 1.00 0.87 H new ATOM 0 HG2 GLN A 602 2.883 -12.891 4.257 1.00 0.78 H new ATOM 0 HG3 GLN A 602 1.760 -12.814 5.600 1.00 0.78 H new ATOM 0 HE21 GLN A 602 4.233 -14.626 4.027 1.00 1.15 H new ATOM 0 HE22 GLN A 602 4.219 -16.030 5.100 1.00 1.15 H new ATOM 153 N SER A 603 0.640 -13.216 0.332 1.00 0.46 N ATOM 154 CA SER A 603 -0.301 -12.870 -0.736 1.00 0.46 C ATOM 155 C SER A 603 -1.260 -11.761 -0.304 1.00 0.42 C ATOM 156 O SER A 603 -1.738 -10.987 -1.134 1.00 0.55 O ATOM 157 CB SER A 603 -1.093 -14.102 -1.187 1.00 0.52 C ATOM 158 OG SER A 603 -0.272 -15.257 -1.209 1.00 1.06 O ATOM 0 H SER A 603 1.592 -12.886 0.170 1.00 0.46 H new ATOM 0 HA SER A 603 0.287 -12.501 -1.577 1.00 0.46 H new ATOM 0 HB2 SER A 603 -1.935 -14.263 -0.514 1.00 0.52 H new ATOM 0 HB3 SER A 603 -1.508 -13.928 -2.180 1.00 0.52 H new ATOM 0 HG SER A 603 -0.801 -16.029 -1.498 1.00 1.06 H new ATOM 164 N GLU A 604 -1.536 -11.684 0.995 1.00 0.31 N ATOM 165 CA GLU A 604 -2.434 -10.667 1.529 1.00 0.30 C ATOM 166 C GLU A 604 -1.693 -9.749 2.498 1.00 0.27 C ATOM 167 O GLU A 604 -1.302 -10.168 3.587 1.00 0.38 O ATOM 168 CB GLU A 604 -3.621 -11.326 2.235 1.00 0.35 C ATOM 169 CG GLU A 604 -4.708 -11.801 1.284 1.00 0.51 C ATOM 170 CD GLU A 604 -4.773 -13.312 1.179 1.00 0.82 C ATOM 171 OE1 GLU A 604 -3.731 -13.933 0.883 1.00 1.48 O ATOM 172 OE2 GLU A 604 -5.868 -13.875 1.392 1.00 1.26 O ATOM 0 H GLU A 604 -1.150 -12.315 1.697 1.00 0.31 H new ATOM 0 HA GLU A 604 -2.805 -10.067 0.698 1.00 0.30 H new ATOM 0 HB2 GLU A 604 -3.262 -12.175 2.816 1.00 0.35 H new ATOM 0 HB3 GLU A 604 -4.052 -10.617 2.941 1.00 0.35 H new ATOM 0 HG2 GLU A 604 -5.672 -11.422 1.623 1.00 0.51 H new ATOM 0 HG3 GLU A 604 -4.530 -11.379 0.295 1.00 0.51 H new ATOM 179 N LEU A 605 -1.498 -8.499 2.090 1.00 0.20 N ATOM 180 CA LEU A 605 -0.797 -7.525 2.919 1.00 0.22 C ATOM 181 C LEU A 605 -1.780 -6.602 3.636 1.00 0.19 C ATOM 182 O LEU A 605 -2.758 -6.149 3.047 1.00 0.24 O ATOM 183 CB LEU A 605 0.164 -6.695 2.065 1.00 0.27 C ATOM 184 CG LEU A 605 1.515 -6.392 2.715 1.00 0.38 C ATOM 185 CD1 LEU A 605 2.159 -7.669 3.229 1.00 1.26 C ATOM 186 CD2 LEU A 605 2.432 -5.691 1.724 1.00 1.04 C ATOM 0 H LEU A 605 -1.815 -8.137 1.191 1.00 0.20 H new ATOM 0 HA LEU A 605 -0.229 -8.073 3.671 1.00 0.22 H new ATOM 0 HB2 LEU A 605 0.340 -7.222 1.127 1.00 0.27 H new ATOM 0 HB3 LEU A 605 -0.320 -5.751 1.814 1.00 0.27 H new ATOM 0 HG LEU A 605 1.350 -5.728 3.564 1.00 0.38 H new ATOM 0 HD11 LEU A 605 3.119 -7.433 3.688 1.00 1.26 H new ATOM 0 HD12 LEU A 605 1.507 -8.133 3.969 1.00 1.26 H new ATOM 0 HD13 LEU A 605 2.313 -8.358 2.399 1.00 1.26 H new ATOM 0 HD21 LEU A 605 3.390 -5.481 2.200 1.00 1.04 H new ATOM 0 HD22 LEU A 605 2.590 -6.333 0.858 1.00 1.04 H new ATOM 0 HD23 LEU A 605 1.974 -4.755 1.403 1.00 1.04 H new ATOM 198 N PRO A 606 -1.529 -6.305 4.923 1.00 0.21 N ATOM 199 CA PRO A 606 -2.399 -5.429 5.713 1.00 0.21 C ATOM 200 C PRO A 606 -2.243 -3.961 5.330 1.00 0.20 C ATOM 201 O PRO A 606 -1.129 -3.479 5.128 1.00 0.34 O ATOM 202 CB PRO A 606 -1.914 -5.654 7.144 1.00 0.28 C ATOM 203 CG PRO A 606 -0.480 -6.029 6.999 1.00 0.44 C ATOM 204 CD PRO A 606 -0.380 -6.797 5.709 1.00 0.33 C ATOM 0 HA PRO A 606 -3.454 -5.656 5.560 1.00 0.21 H new ATOM 0 HB2 PRO A 606 -2.029 -4.754 7.748 1.00 0.28 H new ATOM 0 HB3 PRO A 606 -2.483 -6.443 7.636 1.00 0.28 H new ATOM 0 HG2 PRO A 606 0.154 -5.143 6.976 1.00 0.44 H new ATOM 0 HG3 PRO A 606 -0.149 -6.636 7.841 1.00 0.44 H new ATOM 0 HD2 PRO A 606 0.565 -6.606 5.201 1.00 0.33 H new ATOM 0 HD3 PRO A 606 -0.440 -7.872 5.877 1.00 0.33 H new ATOM 212 N VAL A 607 -3.363 -3.251 5.242 1.00 0.14 N ATOM 213 CA VAL A 607 -3.348 -1.835 4.896 1.00 0.13 C ATOM 214 C VAL A 607 -4.226 -1.042 5.855 1.00 0.10 C ATOM 215 O VAL A 607 -5.205 -1.564 6.387 1.00 0.11 O ATOM 216 CB VAL A 607 -3.829 -1.587 3.449 1.00 0.18 C ATOM 217 CG1 VAL A 607 -2.673 -1.129 2.574 1.00 0.37 C ATOM 218 CG2 VAL A 607 -4.479 -2.835 2.871 1.00 0.31 C ATOM 0 H VAL A 607 -4.294 -3.634 5.406 1.00 0.14 H new ATOM 0 HA VAL A 607 -2.314 -1.501 4.976 1.00 0.13 H new ATOM 0 HB VAL A 607 -4.579 -0.796 3.471 1.00 0.18 H new ATOM 0 HG11 VAL A 607 -3.030 -0.959 1.558 1.00 0.37 H new ATOM 0 HG12 VAL A 607 -2.260 -0.203 2.973 1.00 0.37 H new ATOM 0 HG13 VAL A 607 -1.899 -1.896 2.563 1.00 0.37 H new ATOM 0 HG21 VAL A 607 -4.809 -2.635 1.852 1.00 0.31 H new ATOM 0 HG22 VAL A 607 -3.757 -3.652 2.865 1.00 0.31 H new ATOM 0 HG23 VAL A 607 -5.337 -3.114 3.482 1.00 0.31 H new ATOM 228 N THR A 608 -3.872 0.219 6.073 1.00 0.11 N ATOM 229 CA THR A 608 -4.633 1.075 6.973 1.00 0.12 C ATOM 230 C THR A 608 -4.606 2.526 6.517 1.00 0.11 C ATOM 231 O THR A 608 -3.615 3.229 6.712 1.00 0.16 O ATOM 232 CB THR A 608 -4.094 1.012 8.410 1.00 0.16 C ATOM 233 OG1 THR A 608 -2.661 1.030 8.401 1.00 0.30 O ATOM 234 CG2 THR A 608 -4.587 -0.235 9.124 1.00 0.34 C ATOM 0 H THR A 608 -3.066 0.670 5.640 1.00 0.11 H new ATOM 0 HA THR A 608 -5.657 0.701 6.952 1.00 0.12 H new ATOM 0 HB THR A 608 -4.463 1.886 8.947 1.00 0.16 H new ATOM 0 HG1 THR A 608 -2.328 0.991 9.322 1.00 0.30 H new ATOM 0 HG21 THR A 608 -4.190 -0.254 10.139 1.00 0.34 H new ATOM 0 HG22 THR A 608 -5.676 -0.227 9.160 1.00 0.34 H new ATOM 0 HG23 THR A 608 -4.249 -1.120 8.586 1.00 0.34 H new ATOM 242 N CYS A 609 -5.700 2.972 5.918 1.00 0.15 N ATOM 243 CA CYS A 609 -5.800 4.345 5.445 1.00 0.17 C ATOM 244 C CYS A 609 -6.754 5.148 6.324 1.00 0.17 C ATOM 245 O CYS A 609 -7.966 4.961 6.272 1.00 0.18 O ATOM 246 CB CYS A 609 -6.282 4.367 3.997 1.00 0.20 C ATOM 247 SG CYS A 609 -6.544 6.029 3.333 1.00 0.67 S ATOM 0 H CYS A 609 -6.530 2.404 5.748 1.00 0.15 H new ATOM 0 HA CYS A 609 -4.811 4.801 5.499 1.00 0.17 H new ATOM 0 HB2 CYS A 609 -5.553 3.849 3.374 1.00 0.20 H new ATOM 0 HB3 CYS A 609 -7.215 3.808 3.927 1.00 0.20 H new ATOM 0 HG CYS A 609 -7.596 6.030 2.569 1.00 0.67 H new ATOM 253 N GLY A 610 -6.194 6.043 7.129 1.00 0.21 N ATOM 254 CA GLY A 610 -7.008 6.860 8.010 1.00 0.23 C ATOM 255 C GLY A 610 -7.833 6.028 8.974 1.00 0.22 C ATOM 256 O GLY A 610 -9.051 6.188 9.055 1.00 0.23 O ATOM 0 H GLY A 610 -5.191 6.218 7.188 1.00 0.21 H new ATOM 0 HA2 GLY A 610 -6.363 7.533 8.575 1.00 0.23 H new ATOM 0 HA3 GLY A 610 -7.673 7.483 7.412 1.00 0.23 H new ATOM 260 N GLU A 611 -7.161 5.130 9.696 1.00 0.25 N ATOM 261 CA GLU A 611 -7.821 4.251 10.661 1.00 0.31 C ATOM 262 C GLU A 611 -8.694 3.219 9.952 1.00 0.28 C ATOM 263 O GLU A 611 -9.301 2.360 10.591 1.00 0.35 O ATOM 264 CB GLU A 611 -8.663 5.060 11.650 1.00 0.37 C ATOM 265 CG GLU A 611 -7.879 6.138 12.379 1.00 1.46 C ATOM 266 CD GLU A 611 -8.703 7.386 12.636 1.00 2.00 C ATOM 267 OE1 GLU A 611 -9.277 7.926 11.668 1.00 2.54 O ATOM 268 OE2 GLU A 611 -8.771 7.821 13.803 1.00 2.48 O ATOM 0 H GLU A 611 -6.153 4.992 9.629 1.00 0.25 H new ATOM 0 HA GLU A 611 -7.043 3.725 11.215 1.00 0.31 H new ATOM 0 HB2 GLU A 611 -9.491 5.524 11.114 1.00 0.37 H new ATOM 0 HB3 GLU A 611 -9.099 4.381 12.383 1.00 0.37 H new ATOM 0 HG2 GLU A 611 -7.521 5.742 13.329 1.00 1.46 H new ATOM 0 HG3 GLU A 611 -7.000 6.402 11.792 1.00 1.46 H new ATOM 275 N VAL A 612 -8.751 3.314 8.628 1.00 0.20 N ATOM 276 CA VAL A 612 -9.548 2.397 7.823 1.00 0.22 C ATOM 277 C VAL A 612 -8.705 1.217 7.347 1.00 0.21 C ATOM 278 O VAL A 612 -7.953 1.327 6.380 1.00 0.30 O ATOM 279 CB VAL A 612 -10.153 3.117 6.603 1.00 0.22 C ATOM 280 CG1 VAL A 612 -10.861 2.134 5.683 1.00 0.27 C ATOM 281 CG2 VAL A 612 -11.105 4.216 7.052 1.00 0.25 C ATOM 0 H VAL A 612 -8.252 4.021 8.088 1.00 0.20 H new ATOM 0 HA VAL A 612 -10.356 2.027 8.454 1.00 0.22 H new ATOM 0 HB VAL A 612 -9.339 3.574 6.041 1.00 0.22 H new ATOM 0 HG11 VAL A 612 -11.278 2.670 4.830 1.00 0.27 H new ATOM 0 HG12 VAL A 612 -10.149 1.388 5.330 1.00 0.27 H new ATOM 0 HG13 VAL A 612 -11.664 1.639 6.229 1.00 0.27 H new ATOM 0 HG21 VAL A 612 -11.523 4.715 6.178 1.00 0.25 H new ATOM 0 HG22 VAL A 612 -11.911 3.780 7.642 1.00 0.25 H new ATOM 0 HG23 VAL A 612 -10.563 4.942 7.659 1.00 0.25 H new ATOM 291 N LYS A 613 -8.832 0.089 8.038 1.00 0.15 N ATOM 292 CA LYS A 613 -8.076 -1.109 7.692 1.00 0.14 C ATOM 293 C LYS A 613 -8.648 -1.793 6.454 1.00 0.15 C ATOM 294 O LYS A 613 -9.764 -1.498 6.026 1.00 0.25 O ATOM 295 CB LYS A 613 -8.065 -2.086 8.867 1.00 0.16 C ATOM 296 CG LYS A 613 -6.738 -2.802 9.043 1.00 0.35 C ATOM 297 CD LYS A 613 -6.924 -4.177 9.660 1.00 0.69 C ATOM 298 CE LYS A 613 -6.593 -4.171 11.144 1.00 1.45 C ATOM 299 NZ LYS A 613 -5.231 -4.709 11.411 1.00 1.76 N ATOM 0 H LYS A 613 -9.451 -0.021 8.841 1.00 0.15 H new ATOM 0 HA LYS A 613 -7.054 -0.802 7.468 1.00 0.14 H new ATOM 0 HB2 LYS A 613 -8.301 -1.544 9.783 1.00 0.16 H new ATOM 0 HB3 LYS A 613 -8.852 -2.826 8.722 1.00 0.16 H new ATOM 0 HG2 LYS A 613 -6.245 -2.900 8.076 1.00 0.35 H new ATOM 0 HG3 LYS A 613 -6.082 -2.204 9.676 1.00 0.35 H new ATOM 0 HD2 LYS A 613 -7.954 -4.505 9.517 1.00 0.69 H new ATOM 0 HD3 LYS A 613 -6.286 -4.897 9.147 1.00 0.69 H new ATOM 0 HE2 LYS A 613 -6.663 -3.153 11.527 1.00 1.45 H new ATOM 0 HE3 LYS A 613 -7.330 -4.766 11.683 1.00 1.45 H new ATOM 0 HZ1 LYS A 613 -5.044 -4.688 12.434 1.00 1.76 H new ATOM 0 HZ2 LYS A 613 -5.172 -5.689 11.068 1.00 1.76 H new ATOM 0 HZ3 LYS A 613 -4.525 -4.126 10.918 1.00 1.76 H new ATOM 313 N GLY A 614 -7.868 -2.709 5.889 1.00 0.13 N ATOM 314 CA GLY A 614 -8.293 -3.434 4.708 1.00 0.14 C ATOM 315 C GLY A 614 -7.293 -4.499 4.305 1.00 0.15 C ATOM 316 O GLY A 614 -6.147 -4.484 4.755 1.00 0.24 O ATOM 0 H GLY A 614 -6.942 -2.963 6.232 1.00 0.13 H new ATOM 0 HA2 GLY A 614 -9.261 -3.898 4.896 1.00 0.14 H new ATOM 0 HA3 GLY A 614 -8.430 -2.735 3.883 1.00 0.14 H new ATOM 320 N THR A 615 -7.724 -5.423 3.456 1.00 0.15 N ATOM 321 CA THR A 615 -6.854 -6.498 2.992 1.00 0.16 C ATOM 322 C THR A 615 -6.350 -6.220 1.580 1.00 0.14 C ATOM 323 O THR A 615 -7.135 -6.096 0.643 1.00 0.17 O ATOM 324 CB THR A 615 -7.576 -7.858 3.010 1.00 0.20 C ATOM 325 OG1 THR A 615 -8.973 -7.670 3.264 1.00 0.44 O ATOM 326 CG2 THR A 615 -6.981 -8.773 4.071 1.00 0.42 C ATOM 0 H THR A 615 -8.670 -5.450 3.075 1.00 0.15 H new ATOM 0 HA THR A 615 -6.008 -6.540 3.678 1.00 0.16 H new ATOM 0 HB THR A 615 -7.445 -8.326 2.034 1.00 0.20 H new ATOM 0 HG1 THR A 615 -9.424 -8.540 3.272 1.00 0.44 H new ATOM 0 HG21 THR A 615 -7.507 -9.728 4.065 1.00 0.42 H new ATOM 0 HG22 THR A 615 -5.925 -8.939 3.857 1.00 0.42 H new ATOM 0 HG23 THR A 615 -7.084 -8.308 5.052 1.00 0.42 H new ATOM 334 N LEU A 616 -5.035 -6.115 1.442 1.00 0.14 N ATOM 335 CA LEU A 616 -4.415 -5.841 0.150 1.00 0.16 C ATOM 336 C LEU A 616 -4.059 -7.132 -0.581 1.00 0.15 C ATOM 337 O LEU A 616 -3.442 -8.032 -0.010 1.00 0.18 O ATOM 338 CB LEU A 616 -3.163 -4.985 0.339 1.00 0.21 C ATOM 339 CG LEU A 616 -2.501 -4.511 -0.953 1.00 0.22 C ATOM 340 CD1 LEU A 616 -2.287 -3.006 -0.921 1.00 0.38 C ATOM 341 CD2 LEU A 616 -1.184 -5.237 -1.168 1.00 0.40 C ATOM 0 H LEU A 616 -4.374 -6.216 2.212 1.00 0.14 H new ATOM 0 HA LEU A 616 -5.136 -5.296 -0.459 1.00 0.16 H new ATOM 0 HB2 LEU A 616 -3.426 -4.112 0.936 1.00 0.21 H new ATOM 0 HB3 LEU A 616 -2.434 -5.557 0.914 1.00 0.21 H new ATOM 0 HG LEU A 616 -3.162 -4.743 -1.788 1.00 0.22 H new ATOM 0 HD11 LEU A 616 -1.814 -2.686 -1.850 1.00 0.38 H new ATOM 0 HD12 LEU A 616 -3.248 -2.504 -0.811 1.00 0.38 H new ATOM 0 HD13 LEU A 616 -1.645 -2.748 -0.079 1.00 0.38 H new ATOM 0 HD21 LEU A 616 -0.723 -4.889 -2.093 1.00 0.40 H new ATOM 0 HD22 LEU A 616 -0.516 -5.034 -0.331 1.00 0.40 H new ATOM 0 HD23 LEU A 616 -1.366 -6.310 -1.235 1.00 0.40 H new ATOM 353 N TYR A 617 -4.454 -7.212 -1.847 1.00 0.14 N ATOM 354 CA TYR A 617 -4.181 -8.387 -2.666 1.00 0.16 C ATOM 355 C TYR A 617 -2.944 -8.168 -3.535 1.00 0.21 C ATOM 356 O TYR A 617 -2.828 -7.155 -4.224 1.00 0.22 O ATOM 357 CB TYR A 617 -5.390 -8.714 -3.544 1.00 0.16 C ATOM 358 CG TYR A 617 -6.502 -9.417 -2.798 1.00 0.20 C ATOM 359 CD1 TYR A 617 -7.408 -8.699 -2.027 1.00 0.29 C ATOM 360 CD2 TYR A 617 -6.646 -10.797 -2.862 1.00 0.31 C ATOM 361 CE1 TYR A 617 -8.424 -9.336 -1.342 1.00 0.34 C ATOM 362 CE2 TYR A 617 -7.660 -11.442 -2.180 1.00 0.37 C ATOM 363 CZ TYR A 617 -8.546 -10.707 -1.421 1.00 0.34 C ATOM 364 OH TYR A 617 -9.557 -11.345 -0.739 1.00 0.43 O ATOM 0 H TYR A 617 -4.966 -6.474 -2.330 1.00 0.14 H new ATOM 0 HA TYR A 617 -3.989 -9.229 -2.001 1.00 0.16 H new ATOM 0 HB2 TYR A 617 -5.778 -7.790 -3.974 1.00 0.16 H new ATOM 0 HB3 TYR A 617 -5.067 -9.341 -4.375 1.00 0.16 H new ATOM 0 HD1 TYR A 617 -7.316 -7.625 -1.962 1.00 0.29 H new ATOM 0 HD2 TYR A 617 -5.953 -11.376 -3.455 1.00 0.31 H new ATOM 0 HE1 TYR A 617 -9.120 -8.763 -0.747 1.00 0.34 H new ATOM 0 HE2 TYR A 617 -7.758 -12.516 -2.241 1.00 0.37 H new ATOM 0 HH TYR A 617 -9.503 -12.310 -0.901 1.00 0.43 H new ATOM 374 N LYS A 618 -2.018 -9.121 -3.488 1.00 0.27 N ATOM 375 CA LYS A 618 -0.783 -9.033 -4.260 1.00 0.34 C ATOM 376 C LYS A 618 -1.031 -9.284 -5.746 1.00 0.33 C ATOM 377 O LYS A 618 -0.340 -8.728 -6.599 1.00 0.37 O ATOM 378 CB LYS A 618 0.243 -10.036 -3.730 1.00 0.44 C ATOM 379 CG LYS A 618 1.417 -9.385 -3.019 1.00 0.80 C ATOM 380 CD LYS A 618 1.018 -8.863 -1.649 1.00 1.13 C ATOM 381 CE LYS A 618 2.212 -8.296 -0.902 1.00 1.56 C ATOM 382 NZ LYS A 618 2.606 -6.956 -1.419 1.00 2.48 N ATOM 0 H LYS A 618 -2.100 -9.965 -2.922 1.00 0.27 H new ATOM 0 HA LYS A 618 -0.394 -8.021 -4.148 1.00 0.34 H new ATOM 0 HB2 LYS A 618 -0.253 -10.722 -3.043 1.00 0.44 H new ATOM 0 HB3 LYS A 618 0.618 -10.633 -4.561 1.00 0.44 H new ATOM 0 HG2 LYS A 618 2.226 -10.108 -2.913 1.00 0.80 H new ATOM 0 HG3 LYS A 618 1.801 -8.564 -3.625 1.00 0.80 H new ATOM 0 HD2 LYS A 618 0.256 -8.091 -1.760 1.00 1.13 H new ATOM 0 HD3 LYS A 618 0.572 -9.669 -1.067 1.00 1.13 H new ATOM 0 HE2 LYS A 618 1.974 -8.220 0.159 1.00 1.56 H new ATOM 0 HE3 LYS A 618 3.055 -8.982 -0.991 1.00 1.56 H new ATOM 0 HZ1 LYS A 618 3.465 -6.634 -0.929 1.00 2.48 H new ATOM 0 HZ2 LYS A 618 2.793 -7.019 -2.440 1.00 2.48 H new ATOM 0 HZ3 LYS A 618 1.836 -6.278 -1.249 1.00 2.48 H new ATOM 396 N GLU A 619 -2.011 -10.131 -6.046 1.00 0.31 N ATOM 397 CA GLU A 619 -2.342 -10.465 -7.431 1.00 0.34 C ATOM 398 C GLU A 619 -2.606 -9.211 -8.264 1.00 0.30 C ATOM 399 O GLU A 619 -2.546 -9.251 -9.493 1.00 0.34 O ATOM 400 CB GLU A 619 -3.562 -11.389 -7.474 1.00 0.35 C ATOM 401 CG GLU A 619 -4.825 -10.763 -6.906 1.00 1.04 C ATOM 402 CD GLU A 619 -5.986 -11.736 -6.858 1.00 1.45 C ATOM 403 OE1 GLU A 619 -6.192 -12.463 -7.852 1.00 1.68 O ATOM 404 OE2 GLU A 619 -6.691 -11.771 -5.826 1.00 2.07 O ATOM 0 H GLU A 619 -2.591 -10.600 -5.350 1.00 0.31 H new ATOM 0 HA GLU A 619 -1.483 -10.979 -7.863 1.00 0.34 H new ATOM 0 HB2 GLU A 619 -3.747 -11.684 -8.507 1.00 0.35 H new ATOM 0 HB3 GLU A 619 -3.337 -12.299 -6.918 1.00 0.35 H new ATOM 0 HG2 GLU A 619 -4.623 -10.394 -5.900 1.00 1.04 H new ATOM 0 HG3 GLU A 619 -5.103 -9.901 -7.512 1.00 1.04 H new ATOM 411 N ARG A 620 -2.897 -8.104 -7.591 1.00 0.25 N ATOM 412 CA ARG A 620 -3.168 -6.842 -8.271 1.00 0.25 C ATOM 413 C ARG A 620 -2.184 -5.764 -7.828 1.00 0.27 C ATOM 414 O ARG A 620 -1.931 -4.803 -8.555 1.00 0.29 O ATOM 415 CB ARG A 620 -4.602 -6.388 -7.997 1.00 0.25 C ATOM 416 CG ARG A 620 -5.613 -6.942 -8.988 1.00 0.38 C ATOM 417 CD ARG A 620 -6.971 -7.156 -8.337 1.00 0.55 C ATOM 418 NE ARG A 620 -7.971 -7.613 -9.297 1.00 0.88 N ATOM 419 CZ ARG A 620 -8.971 -6.858 -9.737 1.00 0.95 C ATOM 420 NH1 ARG A 620 -9.107 -5.610 -9.305 1.00 1.77 N ATOM 421 NH2 ARG A 620 -9.840 -7.348 -10.612 1.00 1.17 N ATOM 0 H ARG A 620 -2.952 -8.054 -6.574 1.00 0.25 H new ATOM 0 HA ARG A 620 -3.045 -7.001 -9.342 1.00 0.25 H new ATOM 0 HB2 ARG A 620 -4.886 -6.695 -6.990 1.00 0.25 H new ATOM 0 HB3 ARG A 620 -4.641 -5.299 -8.021 1.00 0.25 H new ATOM 0 HG2 ARG A 620 -5.715 -6.255 -9.828 1.00 0.38 H new ATOM 0 HG3 ARG A 620 -5.249 -7.887 -9.392 1.00 0.38 H new ATOM 0 HD2 ARG A 620 -6.877 -7.888 -7.535 1.00 0.55 H new ATOM 0 HD3 ARG A 620 -7.305 -6.224 -7.881 1.00 0.55 H new ATOM 0 HE ARG A 620 -7.898 -8.567 -9.650 1.00 0.88 H new ATOM 0 HH11 ARG A 620 -8.442 -5.228 -8.633 1.00 1.77 H new ATOM 0 HH12 ARG A 620 -9.876 -5.033 -9.645 1.00 1.77 H new ATOM 0 HH21 ARG A 620 -9.741 -8.306 -10.948 1.00 1.17 H new ATOM 0 HH22 ARG A 620 -10.607 -6.767 -10.949 1.00 1.17 H new ATOM 435 N PHE A 621 -1.637 -5.931 -6.627 1.00 0.31 N ATOM 436 CA PHE A 621 -0.681 -4.977 -6.073 1.00 0.38 C ATOM 437 C PHE A 621 0.499 -4.761 -7.014 1.00 0.33 C ATOM 438 O PHE A 621 1.196 -3.751 -6.923 1.00 0.34 O ATOM 439 CB PHE A 621 -0.177 -5.460 -4.712 1.00 0.53 C ATOM 440 CG PHE A 621 0.553 -4.402 -3.933 1.00 0.75 C ATOM 441 CD1 PHE A 621 -0.036 -3.171 -3.696 1.00 0.87 C ATOM 442 CD2 PHE A 621 1.829 -4.635 -3.447 1.00 0.96 C ATOM 443 CE1 PHE A 621 0.633 -2.193 -2.986 1.00 1.13 C ATOM 444 CE2 PHE A 621 2.504 -3.662 -2.735 1.00 1.21 C ATOM 445 CZ PHE A 621 1.902 -2.453 -2.484 1.00 1.27 C ATOM 0 H PHE A 621 -1.841 -6.722 -6.016 1.00 0.31 H new ATOM 0 HA PHE A 621 -1.197 -4.025 -5.950 1.00 0.38 H new ATOM 0 HB2 PHE A 621 -1.024 -5.813 -4.124 1.00 0.53 H new ATOM 0 HB3 PHE A 621 0.486 -6.313 -4.860 1.00 0.53 H new ATOM 0 HD1 PHE A 621 -1.030 -2.974 -4.071 1.00 0.87 H new ATOM 0 HD2 PHE A 621 2.302 -5.589 -3.627 1.00 0.96 H new ATOM 0 HE1 PHE A 621 0.172 -1.230 -2.822 1.00 1.13 H new ATOM 0 HE2 PHE A 621 3.505 -3.852 -2.376 1.00 1.21 H new ATOM 0 HZ PHE A 621 2.415 -1.705 -1.897 1.00 1.27 H new ATOM 455 N LYS A 622 0.721 -5.716 -7.915 1.00 0.33 N ATOM 456 CA LYS A 622 1.820 -5.623 -8.871 1.00 0.39 C ATOM 457 C LYS A 622 1.743 -4.323 -9.667 1.00 0.38 C ATOM 458 O LYS A 622 2.708 -3.925 -10.319 1.00 0.48 O ATOM 459 CB LYS A 622 1.807 -6.824 -9.820 1.00 0.48 C ATOM 460 CG LYS A 622 0.482 -7.019 -10.540 1.00 1.26 C ATOM 461 CD LYS A 622 0.694 -7.475 -11.976 1.00 2.09 C ATOM 462 CE LYS A 622 0.472 -8.972 -12.126 1.00 2.24 C ATOM 463 NZ LYS A 622 0.919 -9.470 -13.456 1.00 2.99 N ATOM 0 H LYS A 622 0.156 -6.560 -8.002 1.00 0.33 H new ATOM 0 HA LYS A 622 2.755 -5.627 -8.311 1.00 0.39 H new ATOM 0 HB2 LYS A 622 2.598 -6.700 -10.560 1.00 0.48 H new ATOM 0 HB3 LYS A 622 2.039 -7.726 -9.254 1.00 0.48 H new ATOM 0 HG2 LYS A 622 -0.119 -7.756 -10.007 1.00 1.26 H new ATOM 0 HG3 LYS A 622 -0.079 -6.085 -10.532 1.00 1.26 H new ATOM 0 HD2 LYS A 622 0.011 -6.938 -12.634 1.00 2.09 H new ATOM 0 HD3 LYS A 622 1.706 -7.223 -12.293 1.00 2.09 H new ATOM 0 HE2 LYS A 622 1.013 -9.500 -11.340 1.00 2.24 H new ATOM 0 HE3 LYS A 622 -0.586 -9.197 -11.991 1.00 2.24 H new ATOM 0 HZ1 LYS A 622 0.750 -10.494 -13.518 1.00 2.99 H new ATOM 0 HZ2 LYS A 622 0.385 -8.985 -14.205 1.00 2.99 H new ATOM 0 HZ3 LYS A 622 1.934 -9.278 -13.575 1.00 2.99 H new ATOM 477 N GLN A 623 0.590 -3.665 -9.604 1.00 0.35 N ATOM 478 CA GLN A 623 0.382 -2.407 -10.310 1.00 0.46 C ATOM 479 C GLN A 623 0.106 -1.276 -9.322 1.00 0.49 C ATOM 480 O GLN A 623 0.182 -0.098 -9.673 1.00 0.63 O ATOM 481 CB GLN A 623 -0.776 -2.542 -11.298 1.00 0.55 C ATOM 482 CG GLN A 623 -0.669 -3.772 -12.183 1.00 0.68 C ATOM 483 CD GLN A 623 -1.475 -3.646 -13.458 1.00 0.92 C ATOM 484 OE1 GLN A 623 -1.166 -2.828 -14.324 1.00 1.48 O ATOM 485 NE2 GLN A 623 -2.517 -4.459 -13.579 1.00 1.27 N ATOM 0 H GLN A 623 -0.217 -3.984 -9.069 1.00 0.35 H new ATOM 0 HA GLN A 623 1.290 -2.167 -10.863 1.00 0.46 H new ATOM 0 HB2 GLN A 623 -1.714 -2.581 -10.745 1.00 0.55 H new ATOM 0 HB3 GLN A 623 -0.814 -1.652 -11.927 1.00 0.55 H new ATOM 0 HG2 GLN A 623 0.378 -3.943 -12.435 1.00 0.68 H new ATOM 0 HG3 GLN A 623 -1.010 -4.645 -11.627 1.00 0.68 H new ATOM 0 HE21 GLN A 623 -2.736 -5.122 -12.835 1.00 1.27 H new ATOM 0 HE22 GLN A 623 -3.099 -4.421 -14.416 1.00 1.27 H new ATOM 494 N GLY A 624 -0.205 -1.647 -8.082 1.00 0.42 N ATOM 495 CA GLY A 624 -0.480 -0.662 -7.051 1.00 0.47 C ATOM 496 C GLY A 624 -1.745 0.131 -7.313 1.00 0.66 C ATOM 497 O GLY A 624 -2.825 -0.440 -7.473 1.00 1.40 O ATOM 0 H GLY A 624 -0.271 -2.617 -7.773 1.00 0.42 H new ATOM 0 HA2 GLY A 624 -0.566 -1.166 -6.088 1.00 0.47 H new ATOM 0 HA3 GLY A 624 0.364 0.024 -6.977 1.00 0.47 H new ATOM 501 N THR A 625 -1.608 1.454 -7.345 1.00 0.31 N ATOM 502 CA THR A 625 -2.741 2.348 -7.577 1.00 0.32 C ATOM 503 C THR A 625 -3.411 2.099 -8.930 1.00 0.34 C ATOM 504 O THR A 625 -4.385 2.768 -9.276 1.00 0.61 O ATOM 505 CB THR A 625 -2.304 3.823 -7.501 1.00 0.34 C ATOM 506 OG1 THR A 625 -3.435 4.682 -7.683 1.00 0.91 O ATOM 507 CG2 THR A 625 -1.253 4.131 -8.557 1.00 0.76 C ATOM 0 H THR A 625 -0.718 1.934 -7.212 1.00 0.31 H new ATOM 0 HA THR A 625 -3.464 2.135 -6.790 1.00 0.32 H new ATOM 0 HB THR A 625 -1.871 3.999 -6.516 1.00 0.34 H new ATOM 0 HG1 THR A 625 -4.166 4.177 -8.096 1.00 0.91 H new ATOM 0 HG21 THR A 625 -0.960 5.178 -8.484 1.00 0.76 H new ATOM 0 HG22 THR A 625 -0.380 3.498 -8.397 1.00 0.76 H new ATOM 0 HG23 THR A 625 -1.665 3.938 -9.548 1.00 0.76 H new ATOM 515 N SER A 626 -2.890 1.144 -9.694 1.00 0.37 N ATOM 516 CA SER A 626 -3.449 0.829 -11.005 1.00 0.37 C ATOM 517 C SER A 626 -4.349 -0.404 -10.948 1.00 0.31 C ATOM 518 O SER A 626 -4.847 -0.863 -11.977 1.00 0.31 O ATOM 519 CB SER A 626 -2.324 0.605 -12.019 1.00 0.43 C ATOM 520 OG SER A 626 -1.633 1.814 -12.287 1.00 0.92 O ATOM 0 H SER A 626 -2.085 0.577 -9.430 1.00 0.37 H new ATOM 0 HA SER A 626 -4.057 1.677 -11.319 1.00 0.37 H new ATOM 0 HB2 SER A 626 -1.626 -0.139 -11.635 1.00 0.43 H new ATOM 0 HB3 SER A 626 -2.738 0.206 -12.945 1.00 0.43 H new ATOM 0 HG SER A 626 -0.918 1.645 -12.936 1.00 0.92 H new ATOM 526 N LYS A 627 -4.560 -0.934 -9.745 1.00 0.30 N ATOM 527 CA LYS A 627 -5.406 -2.114 -9.569 1.00 0.31 C ATOM 528 C LYS A 627 -5.985 -2.174 -8.158 1.00 0.32 C ATOM 529 O LYS A 627 -5.251 -2.114 -7.172 1.00 0.47 O ATOM 530 CB LYS A 627 -4.609 -3.389 -9.855 1.00 0.36 C ATOM 531 CG LYS A 627 -4.582 -3.777 -11.325 1.00 0.41 C ATOM 532 CD LYS A 627 -5.950 -4.234 -11.810 1.00 0.86 C ATOM 533 CE LYS A 627 -6.157 -3.903 -13.280 1.00 1.24 C ATOM 534 NZ LYS A 627 -7.552 -4.177 -13.720 1.00 1.87 N ATOM 0 H LYS A 627 -4.159 -0.568 -8.881 1.00 0.30 H new ATOM 0 HA LYS A 627 -6.231 -2.039 -10.277 1.00 0.31 H new ATOM 0 HB2 LYS A 627 -3.586 -3.253 -9.506 1.00 0.36 H new ATOM 0 HB3 LYS A 627 -5.036 -4.210 -9.279 1.00 0.36 H new ATOM 0 HG2 LYS A 627 -4.250 -2.926 -11.920 1.00 0.41 H new ATOM 0 HG3 LYS A 627 -3.856 -4.576 -11.478 1.00 0.41 H new ATOM 0 HD2 LYS A 627 -6.050 -5.309 -11.660 1.00 0.86 H new ATOM 0 HD3 LYS A 627 -6.727 -3.755 -11.215 1.00 0.86 H new ATOM 0 HE2 LYS A 627 -5.922 -2.853 -13.452 1.00 1.24 H new ATOM 0 HE3 LYS A 627 -5.464 -4.488 -13.885 1.00 1.24 H new ATOM 0 HZ1 LYS A 627 -7.651 -3.938 -14.727 1.00 1.87 H new ATOM 0 HZ2 LYS A 627 -7.769 -5.184 -13.580 1.00 1.87 H new ATOM 0 HZ3 LYS A 627 -8.212 -3.600 -13.161 1.00 1.87 H new ATOM 548 N LYS A 628 -7.307 -2.298 -8.074 1.00 0.28 N ATOM 549 CA LYS A 628 -7.993 -2.374 -6.787 1.00 0.29 C ATOM 550 C LYS A 628 -7.709 -3.707 -6.101 1.00 0.28 C ATOM 551 O LYS A 628 -8.113 -4.761 -6.592 1.00 0.45 O ATOM 552 CB LYS A 628 -9.501 -2.200 -6.980 1.00 0.32 C ATOM 553 CG LYS A 628 -9.868 -1.136 -8.000 1.00 1.00 C ATOM 554 CD LYS A 628 -10.651 -1.725 -9.163 1.00 1.24 C ATOM 555 CE LYS A 628 -10.570 -0.840 -10.397 1.00 1.55 C ATOM 556 NZ LYS A 628 -10.583 -1.636 -11.655 1.00 2.32 N ATOM 0 H LYS A 628 -7.926 -2.348 -8.883 1.00 0.28 H new ATOM 0 HA LYS A 628 -7.619 -1.570 -6.153 1.00 0.29 H new ATOM 0 HB2 LYS A 628 -9.931 -3.152 -7.291 1.00 0.32 H new ATOM 0 HB3 LYS A 628 -9.954 -1.944 -6.022 1.00 0.32 H new ATOM 0 HG2 LYS A 628 -10.460 -0.358 -7.518 1.00 1.00 H new ATOM 0 HG3 LYS A 628 -8.961 -0.661 -8.374 1.00 1.00 H new ATOM 0 HD2 LYS A 628 -10.263 -2.716 -9.399 1.00 1.24 H new ATOM 0 HD3 LYS A 628 -11.694 -1.852 -8.873 1.00 1.24 H new ATOM 0 HE2 LYS A 628 -11.409 -0.144 -10.400 1.00 1.55 H new ATOM 0 HE3 LYS A 628 -9.660 -0.242 -10.355 1.00 1.55 H new ATOM 0 HZ1 LYS A 628 -10.526 -0.995 -12.472 1.00 2.32 H new ATOM 0 HZ2 LYS A 628 -9.769 -2.283 -11.665 1.00 2.32 H new ATOM 0 HZ3 LYS A 628 -11.463 -2.187 -11.708 1.00 2.32 H new ATOM 570 N CYS A 629 -7.008 -3.658 -4.971 1.00 0.18 N ATOM 571 CA CYS A 629 -6.673 -4.872 -4.236 1.00 0.17 C ATOM 572 C CYS A 629 -6.988 -4.736 -2.748 1.00 0.16 C ATOM 573 O CYS A 629 -6.701 -5.638 -1.964 1.00 0.17 O ATOM 574 CB CYS A 629 -5.193 -5.209 -4.422 1.00 0.20 C ATOM 575 SG CYS A 629 -4.082 -3.799 -4.210 1.00 0.33 S ATOM 0 H CYS A 629 -6.663 -2.796 -4.548 1.00 0.18 H new ATOM 0 HA CYS A 629 -7.285 -5.679 -4.638 1.00 0.17 H new ATOM 0 HB2 CYS A 629 -4.916 -5.986 -3.710 1.00 0.20 H new ATOM 0 HB3 CYS A 629 -5.049 -5.625 -5.419 1.00 0.20 H new ATOM 0 HG CYS A 629 -4.279 -2.943 -5.168 1.00 0.33 H new ATOM 581 N ILE A 630 -7.580 -3.611 -2.360 1.00 0.16 N ATOM 582 CA ILE A 630 -7.927 -3.381 -0.961 1.00 0.18 C ATOM 583 C ILE A 630 -9.386 -3.734 -0.689 1.00 0.18 C ATOM 584 O ILE A 630 -10.294 -2.987 -1.050 1.00 0.21 O ATOM 585 CB ILE A 630 -7.665 -1.916 -0.546 1.00 0.21 C ATOM 586 CG1 ILE A 630 -6.163 -1.636 -0.518 1.00 0.22 C ATOM 587 CG2 ILE A 630 -8.283 -1.622 0.816 1.00 0.29 C ATOM 588 CD1 ILE A 630 -5.782 -0.310 -1.137 1.00 0.31 C ATOM 0 H ILE A 630 -7.829 -2.848 -2.990 1.00 0.16 H new ATOM 0 HA ILE A 630 -7.288 -4.032 -0.365 1.00 0.18 H new ATOM 0 HB ILE A 630 -8.132 -1.261 -1.282 1.00 0.21 H new ATOM 0 HG12 ILE A 630 -5.817 -1.658 0.515 1.00 0.22 H new ATOM 0 HG13 ILE A 630 -5.643 -2.436 -1.045 1.00 0.22 H new ATOM 0 HG21 ILE A 630 -8.086 -0.585 1.089 1.00 0.29 H new ATOM 0 HG22 ILE A 630 -9.359 -1.787 0.770 1.00 0.29 H new ATOM 0 HG23 ILE A 630 -7.846 -2.283 1.564 1.00 0.29 H new ATOM 0 HD11 ILE A 630 -4.701 -0.180 -1.081 1.00 0.31 H new ATOM 0 HD12 ILE A 630 -6.096 -0.292 -2.181 1.00 0.31 H new ATOM 0 HD13 ILE A 630 -6.273 0.499 -0.596 1.00 0.31 H new ATOM 600 N GLN A 631 -9.603 -4.875 -0.045 1.00 0.23 N ATOM 601 CA GLN A 631 -10.949 -5.324 0.282 1.00 0.27 C ATOM 602 C GLN A 631 -11.358 -4.835 1.668 1.00 0.29 C ATOM 603 O GLN A 631 -10.788 -5.249 2.677 1.00 0.34 O ATOM 604 CB GLN A 631 -11.033 -6.851 0.216 1.00 0.35 C ATOM 605 CG GLN A 631 -12.412 -7.401 0.546 1.00 0.41 C ATOM 606 CD GLN A 631 -12.361 -8.821 1.072 1.00 0.60 C ATOM 607 OE1 GLN A 631 -11.889 -9.067 2.182 1.00 1.15 O ATOM 608 NE2 GLN A 631 -12.850 -9.766 0.277 1.00 0.77 N ATOM 0 H GLN A 631 -8.862 -5.506 0.261 1.00 0.23 H new ATOM 0 HA GLN A 631 -11.637 -4.902 -0.451 1.00 0.27 H new ATOM 0 HB2 GLN A 631 -10.750 -7.179 -0.784 1.00 0.35 H new ATOM 0 HB3 GLN A 631 -10.306 -7.277 0.908 1.00 0.35 H new ATOM 0 HG2 GLN A 631 -12.887 -6.759 1.288 1.00 0.41 H new ATOM 0 HG3 GLN A 631 -13.035 -7.370 -0.348 1.00 0.41 H new ATOM 0 HE21 GLN A 631 -13.232 -9.517 -0.636 1.00 0.77 H new ATOM 0 HE22 GLN A 631 -12.844 -10.740 0.579 1.00 0.77 H new ATOM 617 N SER A 632 -12.347 -3.950 1.705 1.00 0.28 N ATOM 618 CA SER A 632 -12.836 -3.397 2.960 1.00 0.32 C ATOM 619 C SER A 632 -14.350 -3.546 3.064 1.00 0.56 C ATOM 620 O SER A 632 -15.007 -3.947 2.104 1.00 0.83 O ATOM 621 CB SER A 632 -12.451 -1.919 3.069 1.00 0.70 C ATOM 622 OG SER A 632 -12.327 -1.521 4.423 1.00 1.80 O ATOM 0 H SER A 632 -12.827 -3.599 0.876 1.00 0.28 H new ATOM 0 HA SER A 632 -12.376 -3.950 3.779 1.00 0.32 H new ATOM 0 HB2 SER A 632 -11.509 -1.746 2.549 1.00 0.70 H new ATOM 0 HB3 SER A 632 -13.205 -1.307 2.575 1.00 0.70 H new ATOM 0 HG SER A 632 -11.393 -1.608 4.705 1.00 1.80 H new ATOM 677 N LYS A 636 -15.708 -5.449 -0.660 1.00 0.37 N ATOM 678 CA LYS A 636 -15.539 -4.410 -1.671 1.00 0.37 C ATOM 679 C LYS A 636 -14.064 -4.083 -1.878 1.00 0.31 C ATOM 680 O LYS A 636 -13.332 -3.844 -0.921 1.00 0.36 O ATOM 681 CB LYS A 636 -16.306 -3.146 -1.274 1.00 0.51 C ATOM 682 CG LYS A 636 -17.365 -2.733 -2.285 1.00 0.90 C ATOM 683 CD LYS A 636 -16.739 -2.230 -3.576 1.00 0.81 C ATOM 684 CE LYS A 636 -17.525 -2.692 -4.793 1.00 1.13 C ATOM 685 NZ LYS A 636 -18.995 -2.599 -4.575 1.00 1.60 N ATOM 0 HA LYS A 636 -15.942 -4.788 -2.611 1.00 0.37 H new ATOM 0 HB2 LYS A 636 -16.783 -3.309 -0.307 1.00 0.51 H new ATOM 0 HB3 LYS A 636 -15.598 -2.327 -1.146 1.00 0.51 H new ATOM 0 HG2 LYS A 636 -18.014 -3.582 -2.501 1.00 0.90 H new ATOM 0 HG3 LYS A 636 -17.994 -1.952 -1.856 1.00 0.90 H new ATOM 0 HD2 LYS A 636 -16.697 -1.141 -3.561 1.00 0.81 H new ATOM 0 HD3 LYS A 636 -15.712 -2.588 -3.647 1.00 0.81 H new ATOM 0 HE2 LYS A 636 -17.247 -2.086 -5.656 1.00 1.13 H new ATOM 0 HE3 LYS A 636 -17.258 -3.722 -5.028 1.00 1.13 H new ATOM 0 HZ1 LYS A 636 -19.468 -2.402 -5.480 1.00 1.60 H new ATOM 0 HZ2 LYS A 636 -19.346 -3.498 -4.189 1.00 1.60 H new ATOM 0 HZ3 LYS A 636 -19.199 -1.831 -3.904 1.00 1.60 H new ATOM 699 N TRP A 637 -13.632 -4.081 -3.136 1.00 0.25 N ATOM 700 CA TRP A 637 -12.239 -3.793 -3.466 1.00 0.21 C ATOM 701 C TRP A 637 -12.065 -2.336 -3.884 1.00 0.22 C ATOM 702 O TRP A 637 -12.895 -1.780 -4.603 1.00 0.26 O ATOM 703 CB TRP A 637 -11.750 -4.721 -4.582 1.00 0.22 C ATOM 704 CG TRP A 637 -11.769 -6.177 -4.214 1.00 0.27 C ATOM 705 CD1 TRP A 637 -12.535 -6.778 -3.255 1.00 0.38 C ATOM 706 CD2 TRP A 637 -10.979 -7.217 -4.803 1.00 0.33 C ATOM 707 NE1 TRP A 637 -12.273 -8.125 -3.214 1.00 0.42 N ATOM 708 CE2 TRP A 637 -11.321 -8.419 -4.155 1.00 0.39 C ATOM 709 CE3 TRP A 637 -10.018 -7.248 -5.817 1.00 0.46 C ATOM 710 CZ2 TRP A 637 -10.733 -9.638 -4.488 1.00 0.49 C ATOM 711 CZ3 TRP A 637 -9.437 -8.457 -6.148 1.00 0.60 C ATOM 712 CH2 TRP A 637 -9.795 -9.638 -5.485 1.00 0.60 C ATOM 0 H TRP A 637 -14.225 -4.275 -3.943 1.00 0.25 H new ATOM 0 HA TRP A 637 -11.640 -3.968 -2.572 1.00 0.21 H new ATOM 0 HB2 TRP A 637 -12.372 -4.571 -5.465 1.00 0.22 H new ATOM 0 HB3 TRP A 637 -10.734 -4.439 -4.857 1.00 0.22 H new ATOM 0 HD1 TRP A 637 -13.244 -6.267 -2.621 1.00 0.38 H new ATOM 0 HE1 TRP A 637 -12.714 -8.797 -2.586 1.00 0.42 H new ATOM 0 HE3 TRP A 637 -9.734 -6.343 -6.333 1.00 0.46 H new ATOM 0 HZ2 TRP A 637 -11.007 -10.550 -3.978 1.00 0.49 H new ATOM 0 HZ3 TRP A 637 -8.694 -8.492 -6.931 1.00 0.60 H new ATOM 0 HH2 TRP A 637 -9.321 -10.567 -5.766 1.00 0.60 H new ATOM 723 N PHE A 638 -10.976 -1.726 -3.426 1.00 0.24 N ATOM 724 CA PHE A 638 -10.680 -0.335 -3.745 1.00 0.30 C ATOM 725 C PHE A 638 -9.220 -0.174 -4.149 1.00 0.27 C ATOM 726 O PHE A 638 -8.370 -0.991 -3.792 1.00 0.29 O ATOM 727 CB PHE A 638 -10.970 0.564 -2.540 1.00 0.41 C ATOM 728 CG PHE A 638 -12.431 0.723 -2.228 1.00 0.29 C ATOM 729 CD1 PHE A 638 -13.123 -0.274 -1.558 1.00 0.62 C ATOM 730 CD2 PHE A 638 -13.115 1.866 -2.611 1.00 0.76 C ATOM 731 CE1 PHE A 638 -14.467 -0.133 -1.275 1.00 0.69 C ATOM 732 CE2 PHE A 638 -14.460 2.013 -2.332 1.00 0.87 C ATOM 733 CZ PHE A 638 -15.132 1.024 -1.641 1.00 0.59 C ATOM 0 H PHE A 638 -10.282 -2.176 -2.830 1.00 0.24 H new ATOM 0 HA PHE A 638 -11.317 -0.041 -4.579 1.00 0.30 H new ATOM 0 HB2 PHE A 638 -10.466 0.154 -1.665 1.00 0.41 H new ATOM 0 HB3 PHE A 638 -10.540 1.549 -2.723 1.00 0.41 H new ATOM 0 HD1 PHE A 638 -12.605 -1.171 -1.254 1.00 0.62 H new ATOM 0 HD2 PHE A 638 -12.590 2.652 -3.134 1.00 0.76 H new ATOM 0 HE1 PHE A 638 -14.999 -0.925 -0.768 1.00 0.69 H new ATOM 0 HE2 PHE A 638 -14.985 2.900 -2.654 1.00 0.87 H new ATOM 0 HZ PHE A 638 -16.174 1.153 -1.387 1.00 0.59 H new ATOM 743 N THR A 639 -8.932 0.896 -4.881 1.00 0.25 N ATOM 744 CA THR A 639 -7.574 1.181 -5.316 1.00 0.25 C ATOM 745 C THR A 639 -6.902 2.133 -4.332 1.00 0.22 C ATOM 746 O THR A 639 -7.583 2.895 -3.653 1.00 0.21 O ATOM 747 CB THR A 639 -7.554 1.817 -6.720 1.00 0.30 C ATOM 748 OG1 THR A 639 -8.885 2.167 -7.120 1.00 0.37 O ATOM 749 CG2 THR A 639 -6.948 0.866 -7.738 1.00 0.39 C ATOM 0 H THR A 639 -9.624 1.581 -5.185 1.00 0.25 H new ATOM 0 HA THR A 639 -7.034 0.235 -5.354 1.00 0.25 H new ATOM 0 HB THR A 639 -6.940 2.716 -6.677 1.00 0.30 H new ATOM 0 HG1 THR A 639 -8.863 2.572 -8.012 1.00 0.37 H new ATOM 0 HG21 THR A 639 -6.945 1.338 -8.720 1.00 0.39 H new ATOM 0 HG22 THR A 639 -5.925 0.626 -7.448 1.00 0.39 H new ATOM 0 HG23 THR A 639 -7.538 -0.050 -7.777 1.00 0.39 H new ATOM 757 N PRO A 640 -5.560 2.108 -4.232 1.00 0.23 N ATOM 758 CA PRO A 640 -4.822 2.987 -3.317 1.00 0.23 C ATOM 759 C PRO A 640 -5.292 4.442 -3.397 1.00 0.21 C ATOM 760 O PRO A 640 -5.038 5.238 -2.492 1.00 0.22 O ATOM 761 CB PRO A 640 -3.378 2.851 -3.797 1.00 0.27 C ATOM 762 CG PRO A 640 -3.311 1.477 -4.368 1.00 0.30 C ATOM 763 CD PRO A 640 -4.657 1.224 -4.994 1.00 0.27 C ATOM 0 HA PRO A 640 -4.965 2.710 -2.272 1.00 0.23 H new ATOM 0 HB2 PRO A 640 -3.134 3.605 -4.545 1.00 0.27 H new ATOM 0 HB3 PRO A 640 -2.672 2.976 -2.976 1.00 0.27 H new ATOM 0 HG2 PRO A 640 -2.515 1.400 -5.109 1.00 0.30 H new ATOM 0 HG3 PRO A 640 -3.097 0.742 -3.592 1.00 0.30 H new ATOM 0 HD2 PRO A 640 -4.658 1.468 -6.056 1.00 0.27 H new ATOM 0 HD3 PRO A 640 -4.951 0.178 -4.907 1.00 0.27 H new ATOM 771 N ARG A 641 -5.989 4.777 -4.481 1.00 0.20 N ATOM 772 CA ARG A 641 -6.512 6.125 -4.678 1.00 0.21 C ATOM 773 C ARG A 641 -7.906 6.259 -4.058 1.00 0.19 C ATOM 774 O ARG A 641 -8.114 7.059 -3.144 1.00 0.23 O ATOM 775 CB ARG A 641 -6.560 6.458 -6.175 1.00 0.25 C ATOM 776 CG ARG A 641 -7.569 7.538 -6.540 1.00 0.27 C ATOM 777 CD ARG A 641 -7.068 8.923 -6.162 1.00 0.62 C ATOM 778 NE ARG A 641 -6.660 9.697 -7.332 1.00 1.36 N ATOM 779 CZ ARG A 641 -5.441 9.646 -7.859 1.00 1.81 C ATOM 780 NH1 ARG A 641 -4.516 8.861 -7.324 1.00 2.09 N ATOM 781 NH2 ARG A 641 -5.146 10.381 -8.923 1.00 2.60 N ATOM 0 H ARG A 641 -6.205 4.129 -5.239 1.00 0.20 H new ATOM 0 HA ARG A 641 -5.847 6.831 -4.181 1.00 0.21 H new ATOM 0 HB2 ARG A 641 -5.569 6.778 -6.497 1.00 0.25 H new ATOM 0 HB3 ARG A 641 -6.798 5.551 -6.730 1.00 0.25 H new ATOM 0 HG2 ARG A 641 -7.769 7.503 -7.611 1.00 0.27 H new ATOM 0 HG3 ARG A 641 -8.513 7.341 -6.032 1.00 0.27 H new ATOM 0 HD2 ARG A 641 -7.853 9.459 -5.629 1.00 0.62 H new ATOM 0 HD3 ARG A 641 -6.225 8.829 -5.478 1.00 0.62 H new ATOM 0 HE ARG A 641 -7.348 10.310 -7.768 1.00 1.36 H new ATOM 0 HH11 ARG A 641 -4.739 8.294 -6.506 1.00 2.09 H new ATOM 0 HH12 ARG A 641 -3.581 8.824 -7.731 1.00 2.09 H new ATOM 0 HH21 ARG A 641 -5.855 10.986 -9.337 1.00 2.60 H new ATOM 0 HH22 ARG A 641 -4.210 10.341 -9.327 1.00 2.60 H new ATOM 795 N GLU A 642 -8.854 5.469 -4.561 1.00 0.20 N ATOM 796 CA GLU A 642 -10.228 5.497 -4.059 1.00 0.23 C ATOM 797 C GLU A 642 -10.267 5.179 -2.567 1.00 0.23 C ATOM 798 O GLU A 642 -11.184 5.590 -1.856 1.00 0.26 O ATOM 799 CB GLU A 642 -11.095 4.495 -4.826 1.00 0.26 C ATOM 800 CG GLU A 642 -11.132 4.745 -6.324 1.00 0.63 C ATOM 801 CD GLU A 642 -12.432 4.291 -6.961 1.00 0.89 C ATOM 802 OE1 GLU A 642 -12.743 3.084 -6.879 1.00 1.33 O ATOM 803 OE2 GLU A 642 -13.139 5.142 -7.539 1.00 1.60 O ATOM 0 H GLU A 642 -8.696 4.801 -5.316 1.00 0.20 H new ATOM 0 HA GLU A 642 -10.623 6.501 -4.211 1.00 0.23 H new ATOM 0 HB2 GLU A 642 -10.720 3.488 -4.643 1.00 0.26 H new ATOM 0 HB3 GLU A 642 -12.112 4.532 -4.435 1.00 0.26 H new ATOM 0 HG2 GLU A 642 -10.991 5.809 -6.514 1.00 0.63 H new ATOM 0 HG3 GLU A 642 -10.299 4.224 -6.796 1.00 0.63 H new ATOM 810 N PHE A 643 -9.258 4.454 -2.105 1.00 0.22 N ATOM 811 CA PHE A 643 -9.154 4.081 -0.701 1.00 0.23 C ATOM 812 C PHE A 643 -8.638 5.258 0.111 1.00 0.23 C ATOM 813 O PHE A 643 -9.047 5.470 1.251 1.00 0.25 O ATOM 814 CB PHE A 643 -8.222 2.877 -0.539 1.00 0.24 C ATOM 815 CG PHE A 643 -8.351 2.181 0.787 1.00 0.21 C ATOM 816 CD1 PHE A 643 -9.597 1.847 1.294 1.00 0.26 C ATOM 817 CD2 PHE A 643 -7.223 1.858 1.524 1.00 0.27 C ATOM 818 CE1 PHE A 643 -9.716 1.205 2.512 1.00 0.35 C ATOM 819 CE2 PHE A 643 -7.336 1.217 2.743 1.00 0.33 C ATOM 820 CZ PHE A 643 -8.582 0.890 3.238 1.00 0.37 C ATOM 0 H PHE A 643 -8.494 4.110 -2.687 1.00 0.22 H new ATOM 0 HA PHE A 643 -10.143 3.806 -0.335 1.00 0.23 H new ATOM 0 HB2 PHE A 643 -8.427 2.161 -1.335 1.00 0.24 H new ATOM 0 HB3 PHE A 643 -7.191 3.208 -0.666 1.00 0.24 H new ATOM 0 HD1 PHE A 643 -10.485 2.091 0.731 1.00 0.26 H new ATOM 0 HD2 PHE A 643 -6.245 2.110 1.142 1.00 0.27 H new ATOM 0 HE1 PHE A 643 -10.693 0.950 2.896 1.00 0.35 H new ATOM 0 HE2 PHE A 643 -6.449 0.972 3.308 1.00 0.33 H new ATOM 0 HZ PHE A 643 -8.671 0.389 4.191 1.00 0.37 H new ATOM 830 N GLU A 644 -7.743 6.029 -0.497 1.00 0.22 N ATOM 831 CA GLU A 644 -7.174 7.202 0.148 1.00 0.24 C ATOM 832 C GLU A 644 -8.269 8.225 0.433 1.00 0.26 C ATOM 833 O GLU A 644 -8.205 8.965 1.414 1.00 0.29 O ATOM 834 CB GLU A 644 -6.092 7.821 -0.742 1.00 0.25 C ATOM 835 CG GLU A 644 -5.548 9.142 -0.223 1.00 0.33 C ATOM 836 CD GLU A 644 -5.042 10.039 -1.335 1.00 0.65 C ATOM 837 OE1 GLU A 644 -5.698 10.096 -2.397 1.00 1.01 O ATOM 838 OE2 GLU A 644 -3.991 10.686 -1.145 1.00 1.39 O ATOM 0 H GLU A 644 -7.396 5.859 -1.441 1.00 0.22 H new ATOM 0 HA GLU A 644 -6.720 6.900 1.092 1.00 0.24 H new ATOM 0 HB2 GLU A 644 -5.268 7.114 -0.841 1.00 0.25 H new ATOM 0 HB3 GLU A 644 -6.501 7.975 -1.740 1.00 0.25 H new ATOM 0 HG2 GLU A 644 -6.331 9.661 0.330 1.00 0.33 H new ATOM 0 HG3 GLU A 644 -4.737 8.947 0.479 1.00 0.33 H new ATOM 845 N ILE A 645 -9.273 8.257 -0.439 1.00 0.27 N ATOM 846 CA ILE A 645 -10.390 9.183 -0.299 1.00 0.31 C ATOM 847 C ILE A 645 -11.326 8.762 0.838 1.00 0.31 C ATOM 848 O ILE A 645 -11.784 9.598 1.617 1.00 0.35 O ATOM 849 CB ILE A 645 -11.189 9.283 -1.619 1.00 0.36 C ATOM 850 CG1 ILE A 645 -10.521 10.279 -2.569 1.00 0.44 C ATOM 851 CG2 ILE A 645 -12.634 9.689 -1.357 1.00 0.43 C ATOM 852 CD1 ILE A 645 -10.198 9.694 -3.927 1.00 0.51 C ATOM 0 H ILE A 645 -9.335 7.648 -1.255 1.00 0.27 H new ATOM 0 HA ILE A 645 -9.972 10.161 -0.059 1.00 0.31 H new ATOM 0 HB ILE A 645 -11.195 8.298 -2.086 1.00 0.36 H new ATOM 0 HG12 ILE A 645 -11.176 11.140 -2.700 1.00 0.44 H new ATOM 0 HG13 ILE A 645 -9.602 10.645 -2.112 1.00 0.44 H new ATOM 0 HG21 ILE A 645 -13.172 9.751 -2.303 1.00 0.43 H new ATOM 0 HG22 ILE A 645 -13.110 8.946 -0.717 1.00 0.43 H new ATOM 0 HG23 ILE A 645 -12.655 10.660 -0.863 1.00 0.43 H new ATOM 0 HD11 ILE A 645 -9.727 10.455 -4.548 1.00 0.51 H new ATOM 0 HD12 ILE A 645 -9.518 8.851 -3.807 1.00 0.51 H new ATOM 0 HD13 ILE A 645 -11.117 9.354 -4.405 1.00 0.51 H new ATOM 864 N GLU A 646 -11.613 7.464 0.922 1.00 0.30 N ATOM 865 CA GLU A 646 -12.502 6.941 1.959 1.00 0.33 C ATOM 866 C GLU A 646 -11.797 6.874 3.312 1.00 0.27 C ATOM 867 O GLU A 646 -12.431 7.004 4.359 1.00 0.29 O ATOM 868 CB GLU A 646 -13.012 5.552 1.567 1.00 0.41 C ATOM 869 CG GLU A 646 -14.412 5.251 2.077 1.00 0.70 C ATOM 870 CD GLU A 646 -14.432 4.899 3.551 1.00 1.38 C ATOM 871 OE1 GLU A 646 -13.885 3.836 3.914 1.00 1.99 O ATOM 872 OE2 GLU A 646 -14.994 5.685 4.342 1.00 1.90 O ATOM 0 H GLU A 646 -11.244 6.757 0.286 1.00 0.30 H new ATOM 0 HA GLU A 646 -13.348 7.623 2.050 1.00 0.33 H new ATOM 0 HB2 GLU A 646 -13.004 5.464 0.481 1.00 0.41 H new ATOM 0 HB3 GLU A 646 -12.324 4.799 1.953 1.00 0.41 H new ATOM 0 HG2 GLU A 646 -15.051 6.117 1.905 1.00 0.70 H new ATOM 0 HG3 GLU A 646 -14.834 4.425 1.504 1.00 0.70 H new ATOM 879 N GLY A 647 -10.485 6.674 3.281 1.00 0.23 N ATOM 880 CA GLY A 647 -9.714 6.598 4.509 1.00 0.25 C ATOM 881 C GLY A 647 -9.298 7.965 5.007 1.00 0.28 C ATOM 882 O GLY A 647 -9.172 8.185 6.212 1.00 0.65 O ATOM 0 H GLY A 647 -9.940 6.563 2.426 1.00 0.23 H new ATOM 0 HA2 GLY A 647 -10.304 6.098 5.277 1.00 0.25 H new ATOM 0 HA3 GLY A 647 -8.826 5.988 4.342 1.00 0.25 H new ATOM 886 N ASP A 648 -9.089 8.886 4.074 1.00 0.46 N ATOM 887 CA ASP A 648 -8.687 10.244 4.416 1.00 0.53 C ATOM 888 C ASP A 648 -9.666 11.265 3.840 1.00 0.61 C ATOM 889 O ASP A 648 -10.510 11.799 4.562 1.00 1.12 O ATOM 890 CB ASP A 648 -7.274 10.527 3.903 1.00 0.61 C ATOM 891 CG ASP A 648 -6.425 11.258 4.925 1.00 1.01 C ATOM 892 OD1 ASP A 648 -6.139 10.671 5.989 1.00 1.40 O ATOM 893 OD2 ASP A 648 -6.045 12.417 4.658 1.00 1.46 O ATOM 0 H ASP A 648 -9.192 8.716 3.073 1.00 0.46 H new ATOM 0 HA ASP A 648 -8.695 10.334 5.502 1.00 0.53 H new ATOM 0 HB2 ASP A 648 -6.791 9.586 3.639 1.00 0.61 H new ATOM 0 HB3 ASP A 648 -7.333 11.122 2.991 1.00 0.61 H new ATOM 898 N ARG A 649 -9.548 11.531 2.539 1.00 0.57 N ATOM 899 CA ARG A 649 -10.423 12.490 1.868 1.00 0.66 C ATOM 900 C ARG A 649 -10.051 12.638 0.397 1.00 0.72 C ATOM 901 O ARG A 649 -10.906 12.907 -0.447 1.00 0.89 O ATOM 902 CB ARG A 649 -10.348 13.857 2.556 1.00 0.76 C ATOM 903 CG ARG A 649 -11.587 14.714 2.348 1.00 0.97 C ATOM 904 CD ARG A 649 -12.820 14.078 2.971 1.00 1.41 C ATOM 905 NE ARG A 649 -13.352 14.877 4.072 1.00 1.88 N ATOM 906 CZ ARG A 649 -14.233 14.420 4.958 1.00 2.63 C ATOM 907 NH1 ARG A 649 -14.668 13.169 4.882 1.00 2.98 N ATOM 908 NH2 ARG A 649 -14.676 15.212 5.924 1.00 3.19 N ATOM 0 H ARG A 649 -8.855 11.096 1.930 1.00 0.57 H new ATOM 0 HA ARG A 649 -11.442 12.109 1.933 1.00 0.66 H new ATOM 0 HB2 ARG A 649 -10.195 13.708 3.625 1.00 0.76 H new ATOM 0 HB3 ARG A 649 -9.477 14.395 2.181 1.00 0.76 H new ATOM 0 HG2 ARG A 649 -11.426 15.700 2.785 1.00 0.97 H new ATOM 0 HG3 ARG A 649 -11.753 14.861 1.281 1.00 0.97 H new ATOM 0 HD2 ARG A 649 -13.589 13.955 2.208 1.00 1.41 H new ATOM 0 HD3 ARG A 649 -12.569 13.082 3.335 1.00 1.41 H new ATOM 0 HE ARG A 649 -13.030 15.840 4.167 1.00 1.88 H new ATOM 0 HH11 ARG A 649 -14.327 12.554 4.143 1.00 2.98 H new ATOM 0 HH12 ARG A 649 -15.343 12.822 5.563 1.00 2.98 H new ATOM 0 HH21 ARG A 649 -14.341 16.173 5.989 1.00 3.19 H new ATOM 0 HH22 ARG A 649 -15.351 14.860 6.602 1.00 3.19 H new ATOM 922 N GLY A 650 -8.768 12.469 0.098 1.00 0.76 N ATOM 923 CA GLY A 650 -8.300 12.594 -1.269 1.00 0.89 C ATOM 924 C GLY A 650 -7.333 13.746 -1.437 1.00 0.90 C ATOM 925 O GLY A 650 -6.481 13.728 -2.327 1.00 1.02 O ATOM 0 H GLY A 650 -8.042 12.247 0.780 1.00 0.76 H new ATOM 0 HA2 GLY A 650 -7.814 11.666 -1.572 1.00 0.89 H new ATOM 0 HA3 GLY A 650 -9.153 12.738 -1.932 1.00 0.89 H new ATOM 929 N ALA A 651 -7.459 14.749 -0.572 1.00 0.85 N ATOM 930 CA ALA A 651 -6.586 15.914 -0.621 1.00 0.93 C ATOM 931 C ALA A 651 -5.169 15.541 -0.206 1.00 0.91 C ATOM 932 O ALA A 651 -4.231 16.317 -0.392 1.00 1.04 O ATOM 933 CB ALA A 651 -7.125 17.022 0.271 1.00 0.99 C ATOM 0 H ALA A 651 -8.158 14.777 0.171 1.00 0.85 H new ATOM 0 HA ALA A 651 -6.559 16.278 -1.648 1.00 0.93 H new ATOM 0 HB1 ALA A 651 -6.460 17.884 0.222 1.00 0.99 H new ATOM 0 HB2 ALA A 651 -8.120 17.311 -0.068 1.00 0.99 H new ATOM 0 HB3 ALA A 651 -7.182 16.666 1.300 1.00 0.99 H new ATOM 939 N SER A 652 -5.022 14.345 0.358 1.00 0.82 N ATOM 940 CA SER A 652 -3.718 13.861 0.798 1.00 0.89 C ATOM 941 C SER A 652 -2.750 13.773 -0.378 1.00 1.07 C ATOM 942 O SER A 652 -1.534 13.752 -0.192 1.00 1.98 O ATOM 943 CB SER A 652 -3.858 12.492 1.463 1.00 0.80 C ATOM 944 OG SER A 652 -5.190 12.016 1.380 1.00 1.30 O ATOM 0 H SER A 652 -5.790 13.694 0.521 1.00 0.82 H new ATOM 0 HA SER A 652 -3.318 14.569 1.524 1.00 0.89 H new ATOM 0 HB2 SER A 652 -3.185 11.781 0.984 1.00 0.80 H new ATOM 0 HB3 SER A 652 -3.558 12.560 2.509 1.00 0.80 H new ATOM 0 HG SER A 652 -5.744 12.477 2.044 1.00 1.30 H new ATOM 950 N LYS A 653 -3.308 13.728 -1.588 1.00 0.61 N ATOM 951 CA LYS A 653 -2.514 13.648 -2.813 1.00 0.69 C ATOM 952 C LYS A 653 -1.746 12.329 -2.896 1.00 0.53 C ATOM 953 O LYS A 653 -2.160 11.407 -3.599 1.00 0.60 O ATOM 954 CB LYS A 653 -1.549 14.835 -2.906 1.00 0.94 C ATOM 955 CG LYS A 653 -1.097 15.142 -4.324 1.00 1.24 C ATOM 956 CD LYS A 653 -1.997 16.172 -4.985 1.00 1.67 C ATOM 957 CE LYS A 653 -2.821 15.556 -6.104 1.00 2.12 C ATOM 958 NZ LYS A 653 -4.181 15.165 -5.641 1.00 2.50 N ATOM 0 H LYS A 653 -4.316 13.746 -1.746 1.00 0.61 H new ATOM 0 HA LYS A 653 -3.202 13.687 -3.657 1.00 0.69 H new ATOM 0 HB2 LYS A 653 -2.032 15.718 -2.488 1.00 0.94 H new ATOM 0 HB3 LYS A 653 -0.673 14.629 -2.291 1.00 0.94 H new ATOM 0 HG2 LYS A 653 -0.071 15.510 -4.308 1.00 1.24 H new ATOM 0 HG3 LYS A 653 -1.097 14.225 -4.914 1.00 1.24 H new ATOM 0 HD2 LYS A 653 -2.662 16.607 -4.239 1.00 1.67 H new ATOM 0 HD3 LYS A 653 -1.390 16.985 -5.384 1.00 1.67 H new ATOM 0 HE2 LYS A 653 -2.908 16.268 -6.925 1.00 2.12 H new ATOM 0 HE3 LYS A 653 -2.305 14.679 -6.495 1.00 2.12 H new ATOM 0 HZ1 LYS A 653 -4.344 14.160 -5.852 1.00 2.50 H new ATOM 0 HZ2 LYS A 653 -4.256 15.320 -4.615 1.00 2.50 H new ATOM 0 HZ3 LYS A 653 -4.894 15.742 -6.132 1.00 2.50 H new ATOM 972 N ASN A 654 -0.627 12.244 -2.180 1.00 0.43 N ATOM 973 CA ASN A 654 0.191 11.033 -2.184 1.00 0.36 C ATOM 974 C ASN A 654 -0.563 9.867 -1.552 1.00 0.31 C ATOM 975 O ASN A 654 -0.832 9.866 -0.351 1.00 0.36 O ATOM 976 CB ASN A 654 1.509 11.267 -1.438 1.00 0.46 C ATOM 977 CG ASN A 654 1.602 12.650 -0.823 1.00 0.85 C ATOM 978 OD1 ASN A 654 2.064 13.596 -1.463 1.00 1.63 O ATOM 979 ND2 ASN A 654 1.162 12.777 0.424 1.00 1.50 N ATOM 0 H ASN A 654 -0.267 12.996 -1.592 1.00 0.43 H new ATOM 0 HA ASN A 654 0.414 10.784 -3.222 1.00 0.36 H new ATOM 0 HB2 ASN A 654 1.614 10.518 -0.653 1.00 0.46 H new ATOM 0 HB3 ASN A 654 2.341 11.125 -2.128 1.00 0.46 H new ATOM 0 HD21 ASN A 654 1.199 13.685 0.888 1.00 1.50 H new ATOM 0 HD22 ASN A 654 0.787 11.967 0.917 1.00 1.50 H new ATOM 986 N TRP A 655 -0.898 8.874 -2.371 1.00 0.29 N ATOM 987 CA TRP A 655 -1.620 7.698 -1.893 1.00 0.30 C ATOM 988 C TRP A 655 -0.676 6.732 -1.186 1.00 0.29 C ATOM 989 O TRP A 655 -1.109 5.899 -0.389 1.00 0.32 O ATOM 990 CB TRP A 655 -2.313 6.986 -3.059 1.00 0.33 C ATOM 991 CG TRP A 655 -1.424 6.795 -4.250 1.00 0.34 C ATOM 992 CD1 TRP A 655 -1.376 7.575 -5.368 1.00 0.36 C ATOM 993 CD2 TRP A 655 -0.457 5.756 -4.443 1.00 0.37 C ATOM 994 NE1 TRP A 655 -0.433 7.091 -6.242 1.00 0.39 N ATOM 995 CE2 TRP A 655 0.143 5.974 -5.698 1.00 0.40 C ATOM 996 CE3 TRP A 655 -0.038 4.665 -3.677 1.00 0.40 C ATOM 997 CZ2 TRP A 655 1.139 5.140 -6.202 1.00 0.46 C ATOM 998 CZ3 TRP A 655 0.950 3.839 -4.179 1.00 0.46 C ATOM 999 CH2 TRP A 655 1.529 4.080 -5.430 1.00 0.49 C ATOM 0 H TRP A 655 -0.682 8.860 -3.368 1.00 0.29 H new ATOM 0 HA TRP A 655 -2.374 8.032 -1.181 1.00 0.30 H new ATOM 0 HB2 TRP A 655 -2.670 6.013 -2.721 1.00 0.33 H new ATOM 0 HB3 TRP A 655 -3.190 7.561 -3.357 1.00 0.33 H new ATOM 0 HD1 TRP A 655 -1.990 8.446 -5.541 1.00 0.36 H new ATOM 0 HE1 TRP A 655 -0.200 7.497 -7.148 1.00 0.39 H new ATOM 0 HE3 TRP A 655 -0.478 4.471 -2.710 1.00 0.40 H new ATOM 0 HZ2 TRP A 655 1.587 5.324 -7.167 1.00 0.46 H new ATOM 0 HZ3 TRP A 655 1.281 2.993 -3.595 1.00 0.46 H new ATOM 0 HH2 TRP A 655 2.299 3.416 -5.793 1.00 0.49 H new ATOM 1010 N LYS A 656 0.615 6.845 -1.487 1.00 0.28 N ATOM 1011 CA LYS A 656 1.617 5.977 -0.882 1.00 0.31 C ATOM 1012 C LYS A 656 1.994 6.460 0.513 1.00 0.25 C ATOM 1013 O LYS A 656 2.547 5.704 1.310 1.00 0.26 O ATOM 1014 CB LYS A 656 2.869 5.899 -1.763 1.00 0.43 C ATOM 1015 CG LYS A 656 3.090 7.125 -2.637 1.00 0.42 C ATOM 1016 CD LYS A 656 4.562 7.312 -2.969 1.00 0.81 C ATOM 1017 CE LYS A 656 4.749 7.943 -4.339 1.00 0.81 C ATOM 1018 NZ LYS A 656 4.048 9.252 -4.448 1.00 1.34 N ATOM 0 H LYS A 656 0.990 7.528 -2.145 1.00 0.28 H new ATOM 0 HA LYS A 656 1.182 4.981 -0.796 1.00 0.31 H new ATOM 0 HB2 LYS A 656 3.741 5.759 -1.125 1.00 0.43 H new ATOM 0 HB3 LYS A 656 2.797 5.019 -2.402 1.00 0.43 H new ATOM 0 HG2 LYS A 656 2.518 7.024 -3.559 1.00 0.42 H new ATOM 0 HG3 LYS A 656 2.716 8.011 -2.125 1.00 0.42 H new ATOM 0 HD2 LYS A 656 5.030 7.940 -2.211 1.00 0.81 H new ATOM 0 HD3 LYS A 656 5.068 6.347 -2.940 1.00 0.81 H new ATOM 0 HE2 LYS A 656 5.813 8.084 -4.532 1.00 0.81 H new ATOM 0 HE3 LYS A 656 4.373 7.265 -5.105 1.00 0.81 H new ATOM 0 HZ1 LYS A 656 4.309 9.712 -5.343 1.00 1.34 H new ATOM 0 HZ2 LYS A 656 3.020 9.098 -4.425 1.00 1.34 H new ATOM 0 HZ3 LYS A 656 4.325 9.861 -3.652 1.00 1.34 H new ATOM 1032 N LEU A 657 1.692 7.718 0.805 1.00 0.24 N ATOM 1033 CA LEU A 657 2.002 8.293 2.108 1.00 0.27 C ATOM 1034 C LEU A 657 0.745 8.428 2.961 1.00 0.26 C ATOM 1035 O LEU A 657 0.815 8.432 4.189 1.00 0.33 O ATOM 1036 CB LEU A 657 2.667 9.660 1.943 1.00 0.36 C ATOM 1037 CG LEU A 657 4.177 9.680 2.189 1.00 0.39 C ATOM 1038 CD1 LEU A 657 4.789 10.955 1.629 1.00 0.52 C ATOM 1039 CD2 LEU A 657 4.479 9.550 3.675 1.00 0.50 C ATOM 0 H LEU A 657 1.233 8.360 0.158 1.00 0.24 H new ATOM 0 HA LEU A 657 2.692 7.619 2.615 1.00 0.27 H new ATOM 0 HB2 LEU A 657 2.474 10.021 0.933 1.00 0.36 H new ATOM 0 HB3 LEU A 657 2.193 10.363 2.629 1.00 0.36 H new ATOM 0 HG LEU A 657 4.622 8.828 1.674 1.00 0.39 H new ATOM 0 HD11 LEU A 657 5.864 10.954 1.812 1.00 0.52 H new ATOM 0 HD12 LEU A 657 4.604 11.007 0.556 1.00 0.52 H new ATOM 0 HD13 LEU A 657 4.339 11.819 2.117 1.00 0.52 H new ATOM 0 HD21 LEU A 657 5.558 9.566 3.830 1.00 0.50 H new ATOM 0 HD22 LEU A 657 4.023 10.381 4.213 1.00 0.50 H new ATOM 0 HD23 LEU A 657 4.073 8.610 4.048 1.00 0.50 H new ATOM 1051 N SER A 658 -0.402 8.544 2.301 1.00 0.24 N ATOM 1052 CA SER A 658 -1.675 8.685 3.000 1.00 0.29 C ATOM 1053 C SER A 658 -2.143 7.347 3.565 1.00 0.25 C ATOM 1054 O SER A 658 -2.847 7.303 4.574 1.00 0.30 O ATOM 1055 CB SER A 658 -2.737 9.252 2.060 1.00 0.34 C ATOM 1056 OG SER A 658 -4.038 8.864 2.466 1.00 1.18 O ATOM 0 H SER A 658 -0.477 8.543 1.284 1.00 0.24 H new ATOM 0 HA SER A 658 -1.526 9.375 3.830 1.00 0.29 H new ATOM 0 HB2 SER A 658 -2.668 10.340 2.042 1.00 0.34 H new ATOM 0 HB3 SER A 658 -2.551 8.904 1.044 1.00 0.34 H new ATOM 0 HG SER A 658 -4.637 9.639 2.430 1.00 1.18 H new ATOM 1062 N ILE A 659 -1.751 6.260 2.909 1.00 0.18 N ATOM 1063 CA ILE A 659 -2.137 4.924 3.350 1.00 0.15 C ATOM 1064 C ILE A 659 -0.951 4.178 3.952 1.00 0.13 C ATOM 1065 O ILE A 659 0.186 4.337 3.510 1.00 0.13 O ATOM 1066 CB ILE A 659 -2.717 4.091 2.190 1.00 0.17 C ATOM 1067 CG1 ILE A 659 -3.823 4.872 1.479 1.00 0.20 C ATOM 1068 CG2 ILE A 659 -3.245 2.756 2.703 1.00 0.18 C ATOM 1069 CD1 ILE A 659 -4.354 4.182 0.242 1.00 0.27 C ATOM 0 H ILE A 659 -1.168 6.277 2.072 1.00 0.18 H new ATOM 0 HA ILE A 659 -2.906 5.055 4.112 1.00 0.15 H new ATOM 0 HB ILE A 659 -1.921 3.890 1.473 1.00 0.17 H new ATOM 0 HG12 ILE A 659 -4.646 5.035 2.175 1.00 0.20 H new ATOM 0 HG13 ILE A 659 -3.441 5.854 1.201 1.00 0.20 H new ATOM 0 HG21 ILE A 659 -3.651 2.181 1.871 1.00 0.18 H new ATOM 0 HG22 ILE A 659 -2.432 2.198 3.168 1.00 0.18 H new ATOM 0 HG23 ILE A 659 -4.030 2.933 3.438 1.00 0.18 H new ATOM 0 HD11 ILE A 659 -5.135 4.794 -0.209 1.00 0.27 H new ATOM 0 HD12 ILE A 659 -3.543 4.043 -0.473 1.00 0.27 H new ATOM 0 HD13 ILE A 659 -4.767 3.211 0.516 1.00 0.27 H new ATOM 1081 N ARG A 660 -1.230 3.362 4.962 1.00 0.17 N ATOM 1082 CA ARG A 660 -0.196 2.583 5.630 1.00 0.17 C ATOM 1083 C ARG A 660 -0.336 1.104 5.290 1.00 0.20 C ATOM 1084 O ARG A 660 -1.376 0.668 4.799 1.00 0.20 O ATOM 1085 CB ARG A 660 -0.277 2.778 7.147 1.00 0.19 C ATOM 1086 CG ARG A 660 -0.863 4.116 7.566 1.00 0.18 C ATOM 1087 CD ARG A 660 -0.495 4.459 9.000 1.00 0.32 C ATOM 1088 NE ARG A 660 -1.477 5.343 9.619 1.00 0.66 N ATOM 1089 CZ ARG A 660 -1.219 6.113 10.671 1.00 1.09 C ATOM 1090 NH1 ARG A 660 -0.011 6.109 11.220 1.00 1.74 N ATOM 1091 NH2 ARG A 660 -2.168 6.892 11.174 1.00 1.43 N ATOM 0 H ARG A 660 -2.168 3.223 5.337 1.00 0.17 H new ATOM 0 HA ARG A 660 0.775 2.933 5.279 1.00 0.17 H new ATOM 0 HB2 ARG A 660 -0.882 1.978 7.574 1.00 0.19 H new ATOM 0 HB3 ARG A 660 0.723 2.682 7.570 1.00 0.19 H new ATOM 0 HG2 ARG A 660 -0.501 4.898 6.899 1.00 0.18 H new ATOM 0 HG3 ARG A 660 -1.948 4.087 7.464 1.00 0.18 H new ATOM 0 HD2 ARG A 660 -0.414 3.542 9.583 1.00 0.32 H new ATOM 0 HD3 ARG A 660 0.485 4.936 9.019 1.00 0.32 H new ATOM 0 HE ARG A 660 -2.416 5.372 9.221 1.00 0.66 H new ATOM 0 HH11 ARG A 660 0.722 5.514 10.835 1.00 1.74 H new ATOM 0 HH12 ARG A 660 0.184 6.701 12.027 1.00 1.74 H new ATOM 0 HH21 ARG A 660 -3.097 6.900 10.753 1.00 1.43 H new ATOM 0 HH22 ARG A 660 -1.968 7.482 11.981 1.00 1.43 H new ATOM 1105 N CYS A 661 0.712 0.334 5.558 1.00 0.25 N ATOM 1106 CA CYS A 661 0.693 -1.098 5.286 1.00 0.29 C ATOM 1107 C CYS A 661 1.217 -1.877 6.486 1.00 0.33 C ATOM 1108 O CYS A 661 2.424 -2.081 6.626 1.00 0.36 O ATOM 1109 CB CYS A 661 1.535 -1.416 4.049 1.00 0.33 C ATOM 1110 SG CYS A 661 0.671 -2.396 2.799 1.00 1.57 S ATOM 0 H CYS A 661 1.584 0.676 5.962 1.00 0.25 H new ATOM 0 HA CYS A 661 -0.338 -1.397 5.098 1.00 0.29 H new ATOM 0 HB2 CYS A 661 1.865 -0.481 3.597 1.00 0.33 H new ATOM 0 HB3 CYS A 661 2.431 -1.953 4.361 1.00 0.33 H new ATOM 0 HG CYS A 661 -0.270 -3.091 3.366 1.00 1.57 H new ATOM 1116 N GLY A 662 0.301 -2.308 7.351 1.00 0.36 N ATOM 1117 CA GLY A 662 0.685 -3.058 8.535 1.00 0.42 C ATOM 1118 C GLY A 662 1.527 -2.243 9.504 1.00 0.38 C ATOM 1119 O GLY A 662 1.778 -2.672 10.631 1.00 0.54 O ATOM 0 H GLY A 662 -0.702 -2.151 7.252 1.00 0.36 H new ATOM 0 HA2 GLY A 662 -0.213 -3.406 9.046 1.00 0.42 H new ATOM 0 HA3 GLY A 662 1.243 -3.944 8.233 1.00 0.42 H new ATOM 1123 N GLY A 663 1.969 -1.067 9.062 1.00 0.34 N ATOM 1124 CA GLY A 663 2.788 -0.209 9.898 1.00 0.29 C ATOM 1125 C GLY A 663 3.495 0.861 9.088 1.00 0.23 C ATOM 1126 O GLY A 663 3.497 2.033 9.462 1.00 0.27 O ATOM 0 H GLY A 663 1.772 -0.693 8.134 1.00 0.34 H new ATOM 0 HA2 GLY A 663 2.163 0.263 10.656 1.00 0.29 H new ATOM 0 HA3 GLY A 663 3.527 -0.813 10.425 1.00 0.29 H new ATOM 1130 N TYR A 664 4.090 0.453 7.969 1.00 0.20 N ATOM 1131 CA TYR A 664 4.797 1.380 7.093 1.00 0.17 C ATOM 1132 C TYR A 664 3.984 1.653 5.831 1.00 0.15 C ATOM 1133 O TYR A 664 3.413 0.737 5.240 1.00 0.17 O ATOM 1134 CB TYR A 664 6.166 0.811 6.718 1.00 0.22 C ATOM 1135 CG TYR A 664 7.092 0.620 7.899 1.00 0.31 C ATOM 1136 CD1 TYR A 664 7.784 1.694 8.445 1.00 0.45 C ATOM 1137 CD2 TYR A 664 7.272 -0.634 8.469 1.00 0.48 C ATOM 1138 CE1 TYR A 664 8.630 1.524 9.525 1.00 0.59 C ATOM 1139 CE2 TYR A 664 8.115 -0.812 9.549 1.00 0.61 C ATOM 1140 CZ TYR A 664 8.794 0.269 10.070 1.00 0.62 C ATOM 1141 OH TYR A 664 9.632 0.096 11.148 1.00 0.78 O ATOM 0 H TYR A 664 4.096 -0.515 7.649 1.00 0.20 H new ATOM 0 HA TYR A 664 4.936 2.320 7.628 1.00 0.17 H new ATOM 0 HB2 TYR A 664 6.026 -0.148 6.219 1.00 0.22 H new ATOM 0 HB3 TYR A 664 6.642 1.478 5.999 1.00 0.22 H new ATOM 0 HD1 TYR A 664 7.659 2.678 8.018 1.00 0.45 H new ATOM 0 HD2 TYR A 664 6.744 -1.484 8.061 1.00 0.48 H new ATOM 0 HE1 TYR A 664 9.159 2.370 9.939 1.00 0.59 H new ATOM 0 HE2 TYR A 664 8.241 -1.793 9.983 1.00 0.61 H new ATOM 0 HH TYR A 664 9.635 -0.848 11.412 1.00 0.78 H new ATOM 1151 N THR A 665 3.934 2.919 5.423 1.00 0.14 N ATOM 1152 CA THR A 665 3.189 3.314 4.232 1.00 0.14 C ATOM 1153 C THR A 665 3.826 2.747 2.967 1.00 0.16 C ATOM 1154 O THR A 665 4.880 2.115 3.025 1.00 0.23 O ATOM 1155 CB THR A 665 3.106 4.848 4.108 1.00 0.16 C ATOM 1156 OG1 THR A 665 4.316 5.361 3.537 1.00 0.21 O ATOM 1157 CG2 THR A 665 2.869 5.492 5.465 1.00 0.26 C ATOM 0 H THR A 665 4.402 3.689 5.901 1.00 0.14 H new ATOM 0 HA THR A 665 2.183 2.908 4.340 1.00 0.14 H new ATOM 0 HB THR A 665 2.265 5.090 3.458 1.00 0.16 H new ATOM 0 HG1 THR A 665 4.254 6.336 3.460 1.00 0.21 H new ATOM 0 HG21 THR A 665 2.814 6.574 5.349 1.00 0.26 H new ATOM 0 HG22 THR A 665 1.932 5.124 5.884 1.00 0.26 H new ATOM 0 HG23 THR A 665 3.690 5.240 6.136 1.00 0.26 H new ATOM 1165 N LEU A 666 3.182 2.980 1.824 1.00 0.16 N ATOM 1166 CA LEU A 666 3.696 2.494 0.546 1.00 0.19 C ATOM 1167 C LEU A 666 4.963 3.247 0.169 1.00 0.21 C ATOM 1168 O LEU A 666 5.857 2.696 -0.470 1.00 0.24 O ATOM 1169 CB LEU A 666 2.649 2.647 -0.566 1.00 0.21 C ATOM 1170 CG LEU A 666 1.375 1.811 -0.395 1.00 0.20 C ATOM 1171 CD1 LEU A 666 1.711 0.354 -0.113 1.00 0.20 C ATOM 1172 CD2 LEU A 666 0.521 2.384 0.721 1.00 0.25 C ATOM 0 H LEU A 666 2.307 3.500 1.758 1.00 0.16 H new ATOM 0 HA LEU A 666 3.926 1.434 0.657 1.00 0.19 H new ATOM 0 HB2 LEU A 666 2.367 3.698 -0.633 1.00 0.21 H new ATOM 0 HB3 LEU A 666 3.112 2.381 -1.516 1.00 0.21 H new ATOM 0 HG LEU A 666 0.812 1.851 -1.327 1.00 0.20 H new ATOM 0 HD11 LEU A 666 0.789 -0.216 0.004 1.00 0.20 H new ATOM 0 HD12 LEU A 666 2.287 -0.054 -0.944 1.00 0.20 H new ATOM 0 HD13 LEU A 666 2.298 0.287 0.803 1.00 0.20 H new ATOM 0 HD21 LEU A 666 -0.381 1.783 0.834 1.00 0.25 H new ATOM 0 HD22 LEU A 666 1.085 2.371 1.654 1.00 0.25 H new ATOM 0 HD23 LEU A 666 0.245 3.410 0.478 1.00 0.25 H new ATOM 1184 N LYS A 667 5.036 4.508 0.586 1.00 0.20 N ATOM 1185 CA LYS A 667 6.200 5.337 0.311 1.00 0.23 C ATOM 1186 C LYS A 667 7.420 4.747 1.008 1.00 0.24 C ATOM 1187 O LYS A 667 8.513 4.682 0.443 1.00 0.29 O ATOM 1188 CB LYS A 667 5.958 6.767 0.795 1.00 0.25 C ATOM 1189 CG LYS A 667 7.084 7.727 0.451 1.00 0.42 C ATOM 1190 CD LYS A 667 7.713 8.316 1.702 1.00 1.05 C ATOM 1191 CE LYS A 667 9.061 7.680 1.999 1.00 1.68 C ATOM 1192 NZ LYS A 667 10.189 8.598 1.684 1.00 2.05 N ATOM 0 H LYS A 667 4.301 4.976 1.116 1.00 0.20 H new ATOM 0 HA LYS A 667 6.376 5.361 -0.764 1.00 0.23 H new ATOM 0 HB2 LYS A 667 5.031 7.137 0.358 1.00 0.25 H new ATOM 0 HB3 LYS A 667 5.819 6.757 1.876 1.00 0.25 H new ATOM 0 HG2 LYS A 667 7.845 7.205 -0.129 1.00 0.42 H new ATOM 0 HG3 LYS A 667 6.700 8.530 -0.178 1.00 0.42 H new ATOM 0 HD2 LYS A 667 7.837 9.392 1.577 1.00 1.05 H new ATOM 0 HD3 LYS A 667 7.045 8.169 2.551 1.00 1.05 H new ATOM 0 HE2 LYS A 667 9.105 7.398 3.051 1.00 1.68 H new ATOM 0 HE3 LYS A 667 9.166 6.763 1.418 1.00 1.68 H new ATOM 0 HZ1 LYS A 667 11.091 8.127 1.900 1.00 2.05 H new ATOM 0 HZ2 LYS A 667 10.162 8.847 0.675 1.00 2.05 H new ATOM 0 HZ3 LYS A 667 10.104 9.462 2.257 1.00 2.05 H new ATOM 1206 N VAL A 668 7.209 4.296 2.238 1.00 0.25 N ATOM 1207 CA VAL A 668 8.267 3.684 3.024 1.00 0.30 C ATOM 1208 C VAL A 668 8.527 2.262 2.540 1.00 0.30 C ATOM 1209 O VAL A 668 9.656 1.777 2.588 1.00 0.38 O ATOM 1210 CB VAL A 668 7.919 3.659 4.526 1.00 0.34 C ATOM 1211 CG1 VAL A 668 9.080 3.103 5.337 1.00 0.44 C ATOM 1212 CG2 VAL A 668 7.546 5.053 5.008 1.00 0.47 C ATOM 0 H VAL A 668 6.308 4.344 2.713 1.00 0.25 H new ATOM 0 HA VAL A 668 9.164 4.289 2.891 1.00 0.30 H new ATOM 0 HB VAL A 668 7.060 3.004 4.670 1.00 0.34 H new ATOM 0 HG11 VAL A 668 8.814 3.094 6.394 1.00 0.44 H new ATOM 0 HG12 VAL A 668 9.299 2.087 5.009 1.00 0.44 H new ATOM 0 HG13 VAL A 668 9.960 3.729 5.190 1.00 0.44 H new ATOM 0 HG21 VAL A 668 7.303 5.018 6.070 1.00 0.47 H new ATOM 0 HG22 VAL A 668 8.386 5.729 4.850 1.00 0.47 H new ATOM 0 HG23 VAL A 668 6.681 5.412 4.450 1.00 0.47 H new ATOM 1222 N LEU A 669 7.469 1.602 2.069 1.00 0.26 N ATOM 1223 CA LEU A 669 7.582 0.234 1.570 1.00 0.32 C ATOM 1224 C LEU A 669 8.355 0.201 0.256 1.00 0.38 C ATOM 1225 O LEU A 669 9.065 -0.762 -0.030 1.00 0.47 O ATOM 1226 CB LEU A 669 6.193 -0.371 1.359 1.00 0.36 C ATOM 1227 CG LEU A 669 5.824 -1.506 2.314 1.00 0.34 C ATOM 1228 CD1 LEU A 669 5.628 -0.975 3.726 1.00 0.36 C ATOM 1229 CD2 LEU A 669 4.567 -2.219 1.835 1.00 0.38 C ATOM 0 H LEU A 669 6.528 1.992 2.023 1.00 0.26 H new ATOM 0 HA LEU A 669 8.122 -0.353 2.313 1.00 0.32 H new ATOM 0 HB2 LEU A 669 5.451 0.421 1.458 1.00 0.36 H new ATOM 0 HB3 LEU A 669 6.128 -0.743 0.336 1.00 0.36 H new ATOM 0 HG LEU A 669 6.645 -2.223 2.327 1.00 0.34 H new ATOM 0 HD11 LEU A 669 5.366 -1.798 4.391 1.00 0.36 H new ATOM 0 HD12 LEU A 669 6.551 -0.510 4.071 1.00 0.36 H new ATOM 0 HD13 LEU A 669 4.826 -0.237 3.729 1.00 0.36 H new ATOM 0 HD21 LEU A 669 4.319 -3.024 2.527 1.00 0.38 H new ATOM 0 HD22 LEU A 669 3.740 -1.510 1.792 1.00 0.38 H new ATOM 0 HD23 LEU A 669 4.740 -2.634 0.842 1.00 0.38 H new ATOM 1241 N MET A 670 8.220 1.263 -0.534 1.00 0.36 N ATOM 1242 CA MET A 670 8.922 1.349 -1.811 1.00 0.44 C ATOM 1243 C MET A 670 10.354 1.822 -1.596 1.00 0.47 C ATOM 1244 O MET A 670 11.171 1.812 -2.517 1.00 0.55 O ATOM 1245 CB MET A 670 8.193 2.285 -2.778 1.00 0.48 C ATOM 1246 CG MET A 670 8.108 3.724 -2.298 1.00 0.45 C ATOM 1247 SD MET A 670 8.135 4.910 -3.656 1.00 0.71 S ATOM 1248 CE MET A 670 6.545 4.590 -4.415 1.00 0.70 C ATOM 0 H MET A 670 7.636 2.070 -0.315 1.00 0.36 H new ATOM 0 HA MET A 670 8.942 0.353 -2.254 1.00 0.44 H new ATOM 0 HB2 MET A 670 8.702 2.264 -3.742 1.00 0.48 H new ATOM 0 HB3 MET A 670 7.184 1.907 -2.942 1.00 0.48 H new ATOM 0 HG2 MET A 670 7.192 3.858 -1.722 1.00 0.45 H new ATOM 0 HG3 MET A 670 8.941 3.929 -1.625 1.00 0.45 H new ATOM 0 HE1 MET A 670 6.179 5.500 -4.890 1.00 0.70 H new ATOM 0 HE2 MET A 670 6.651 3.806 -5.165 1.00 0.70 H new ATOM 0 HE3 MET A 670 5.836 4.269 -3.652 1.00 0.70 H new ATOM 1258 N GLU A 671 10.647 2.237 -0.368 1.00 0.42 N ATOM 1259 CA GLU A 671 11.977 2.714 -0.011 1.00 0.47 C ATOM 1260 C GLU A 671 12.702 1.698 0.871 1.00 0.51 C ATOM 1261 O GLU A 671 13.930 1.702 0.958 1.00 0.59 O ATOM 1262 CB GLU A 671 11.885 4.059 0.710 1.00 0.45 C ATOM 1263 CG GLU A 671 12.072 5.257 -0.209 1.00 0.88 C ATOM 1264 CD GLU A 671 13.477 5.349 -0.772 1.00 1.56 C ATOM 1265 OE1 GLU A 671 14.440 5.112 -0.012 1.00 1.90 O ATOM 1266 OE2 GLU A 671 13.616 5.661 -1.974 1.00 2.39 O ATOM 0 H GLU A 671 9.976 2.252 0.400 1.00 0.42 H new ATOM 0 HA GLU A 671 12.547 2.843 -0.931 1.00 0.47 H new ATOM 0 HB2 GLU A 671 10.913 4.134 1.198 1.00 0.45 H new ATOM 0 HB3 GLU A 671 12.640 4.093 1.496 1.00 0.45 H new ATOM 0 HG2 GLU A 671 11.359 5.194 -1.031 1.00 0.88 H new ATOM 0 HG3 GLU A 671 11.845 6.170 0.341 1.00 0.88 H new ATOM 1273 N ASN A 672 11.931 0.833 1.530 1.00 0.47 N ATOM 1274 CA ASN A 672 12.496 -0.183 2.411 1.00 0.53 C ATOM 1275 C ASN A 672 13.218 -1.255 1.608 1.00 0.60 C ATOM 1276 O ASN A 672 14.446 -1.349 1.646 1.00 0.72 O ATOM 1277 CB ASN A 672 11.393 -0.829 3.255 1.00 0.50 C ATOM 1278 CG ASN A 672 11.161 -0.107 4.567 1.00 0.82 C ATOM 1279 OD1 ASN A 672 12.085 0.458 5.152 1.00 1.54 O ATOM 1280 ND2 ASN A 672 9.918 -0.125 5.039 1.00 0.62 N ATOM 0 H ASN A 672 10.913 0.817 1.469 1.00 0.47 H new ATOM 0 HA ASN A 672 13.214 0.305 3.070 1.00 0.53 H new ATOM 0 HB2 ASN A 672 10.465 -0.842 2.684 1.00 0.50 H new ATOM 0 HB3 ASN A 672 11.657 -1.867 3.458 1.00 0.50 H new ATOM 0 HD21 ASN A 672 9.700 0.342 5.919 1.00 0.62 H new ATOM 0 HD22 ASN A 672 9.183 -0.606 4.521 1.00 0.62 H new ATOM 1287 N LYS A 673 12.447 -2.058 0.879 1.00 0.59 N ATOM 1288 CA LYS A 673 13.013 -3.127 0.059 1.00 0.69 C ATOM 1289 C LYS A 673 11.931 -3.882 -0.710 1.00 0.68 C ATOM 1290 O LYS A 673 12.202 -4.464 -1.760 1.00 0.95 O ATOM 1291 CB LYS A 673 13.814 -4.104 0.927 1.00 0.87 C ATOM 1292 CG LYS A 673 12.954 -5.094 1.699 1.00 0.94 C ATOM 1293 CD LYS A 673 13.620 -6.457 1.788 1.00 1.46 C ATOM 1294 CE LYS A 673 14.839 -6.423 2.696 1.00 1.87 C ATOM 1295 NZ LYS A 673 15.621 -7.688 2.626 1.00 2.62 N ATOM 0 H LYS A 673 11.430 -1.989 0.839 1.00 0.59 H new ATOM 0 HA LYS A 673 13.680 -2.661 -0.667 1.00 0.69 H new ATOM 0 HB2 LYS A 673 14.505 -4.657 0.291 1.00 0.87 H new ATOM 0 HB3 LYS A 673 14.418 -3.535 1.634 1.00 0.87 H new ATOM 0 HG2 LYS A 673 12.769 -4.712 2.703 1.00 0.94 H new ATOM 0 HG3 LYS A 673 11.984 -5.193 1.212 1.00 0.94 H new ATOM 0 HD2 LYS A 673 12.905 -7.189 2.164 1.00 1.46 H new ATOM 0 HD3 LYS A 673 13.916 -6.784 0.791 1.00 1.46 H new ATOM 0 HE2 LYS A 673 15.478 -5.586 2.415 1.00 1.87 H new ATOM 0 HE3 LYS A 673 14.521 -6.250 3.724 1.00 1.87 H new ATOM 0 HZ1 LYS A 673 16.443 -7.623 3.260 1.00 2.62 H new ATOM 0 HZ2 LYS A 673 15.020 -8.484 2.919 1.00 2.62 H new ATOM 0 HZ3 LYS A 673 15.947 -7.841 1.650 1.00 2.62 H new