USER MOD reduce.3.24.130724 H: found=0, std=0, add=605, rem=0, adj=18 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 70:sc= -9.02! USER MOD Set 1.2: A 658 SER OG : rot 100:sc= -1.96! USER MOD Single : A 599 ASN : amide:sc= -0.261 X(o=-0.26,f=0) USER MOD Single : A 601 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 602 GLN : amide:sc= -6.68! K(o=-6.7!,f=-1.6) USER MOD Single : A 603 SER OG : rot 180:sc= 0 USER MOD Single : A 608 THR OG1 : rot 180:sc= -1.62! 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+ -117:sc= -3.24! (180deg=-6.61!) USER MOD Single : A 622 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 623 GLN : amide:sc= -3! C(o=-3!,f=-1.6!) USER MOD Single : A 625 THR OG1 : rot -43:sc= 0.441 USER MOD Single : A 626 SER OG : rot 66:sc= 1.19 USER MOD Single : A 627 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 628 LYS NZ :NH3+ -165:sc= 0.0923 (180deg=0.0503) USER MOD Single : A 629 CYS SG : rot -130:sc= -0.0386 USER MOD Single : A 631 GLN : amide:sc= 0.329 K(o=0.33,f=-3.1!) 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= 0.0118 USER MOD Single : A 652 SER OG : rot 180:sc= 0.161 USER MOD Single : A 653 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 654 ASN : amide:sc=-0.00474 X(o=-0.0047,f=-0.43) USER MOD Single : A 656 LYS NZ :NH3+ 179:sc= 0.189 (180deg=0.188) USER MOD Single : A 661 CYS SG : rot -18:sc= -5.38! USER MOD Single : A 664 TYR OH : rot 180:sc= 0 USER MOD Single : A 665 THR OG1 : rot 121:sc= 0.375 USER MOD Single : A 667 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 670 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 672 ASN : amide:sc= -0.363 X(o=-0.36,f=-0.63) USER MOD Single : A 673 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 61 N ILE A 598 6.374 -7.893 7.728 1.00 0.87 N ATOM 62 CA ILE A 598 5.326 -7.733 6.727 1.00 0.64 C ATOM 63 C ILE A 598 5.738 -8.348 5.393 1.00 0.66 C ATOM 64 O ILE A 598 5.986 -7.638 4.418 1.00 0.79 O ATOM 65 CB ILE A 598 4.962 -6.248 6.513 1.00 0.49 C ATOM 66 CG1 ILE A 598 4.831 -5.521 7.856 1.00 0.69 C ATOM 67 CG2 ILE A 598 3.673 -6.130 5.711 1.00 0.35 C ATOM 68 CD1 ILE A 598 3.945 -6.232 8.860 1.00 0.83 C ATOM 0 HA ILE A 598 4.449 -8.256 7.107 1.00 0.64 H new ATOM 0 HB ILE A 598 5.766 -5.775 5.949 1.00 0.49 H new ATOM 0 HG12 ILE A 598 5.824 -5.396 8.288 1.00 0.69 H new ATOM 0 HG13 ILE A 598 4.432 -4.522 7.679 1.00 0.69 H new ATOM 0 HG21 ILE A 598 3.429 -5.077 5.568 1.00 0.35 H new ATOM 0 HG22 ILE A 598 3.804 -6.608 4.740 1.00 0.35 H new ATOM 0 HG23 ILE A 598 2.863 -6.620 6.250 1.00 0.35 H new ATOM 0 HD11 ILE A 598 3.904 -5.654 9.783 1.00 0.83 H new ATOM 0 HD12 ILE A 598 2.940 -6.333 8.451 1.00 0.83 H new ATOM 0 HD13 ILE A 598 4.353 -7.221 9.069 1.00 0.83 H new ATOM 80 N ASN A 599 5.803 -9.677 5.357 1.00 0.73 N ATOM 81 CA ASN A 599 6.177 -10.398 4.147 1.00 0.83 C ATOM 82 C ASN A 599 5.300 -9.968 2.980 1.00 0.95 C ATOM 83 O ASN A 599 4.079 -10.113 3.021 1.00 1.52 O ATOM 84 CB ASN A 599 6.059 -11.906 4.367 1.00 0.98 C ATOM 85 CG ASN A 599 7.369 -12.534 4.798 1.00 1.45 C ATOM 86 OD1 ASN A 599 7.904 -12.217 5.860 1.00 2.10 O ATOM 87 ND2 ASN A 599 7.895 -13.431 3.972 1.00 2.19 N ATOM 0 H ASN A 599 5.600 -10.277 6.157 1.00 0.73 H new ATOM 0 HA ASN A 599 7.214 -10.160 3.911 1.00 0.83 H new ATOM 0 HB2 ASN A 599 5.300 -12.101 5.124 1.00 0.98 H new ATOM 0 HB3 ASN A 599 5.719 -12.379 3.446 1.00 0.98 H new ATOM 0 HD21 ASN A 599 8.776 -13.887 4.208 1.00 2.19 H new ATOM 0 HD22 ASN A 599 7.418 -13.664 3.101 1.00 2.19 H new ATOM 94 N PHE A 600 5.930 -9.427 1.949 1.00 0.69 N ATOM 95 CA PHE A 600 5.212 -8.958 0.774 1.00 0.82 C ATOM 96 C PHE A 600 5.028 -10.076 -0.248 1.00 0.89 C ATOM 97 O PHE A 600 4.409 -9.877 -1.293 1.00 1.04 O ATOM 98 CB PHE A 600 5.960 -7.780 0.153 1.00 0.93 C ATOM 99 CG PHE A 600 7.187 -8.177 -0.620 1.00 1.05 C ATOM 100 CD1 PHE A 600 8.407 -8.324 0.020 1.00 1.38 C ATOM 101 CD2 PHE A 600 7.121 -8.402 -1.986 1.00 1.21 C ATOM 102 CE1 PHE A 600 9.537 -8.689 -0.686 1.00 1.92 C ATOM 103 CE2 PHE A 600 8.248 -8.767 -2.698 1.00 1.63 C ATOM 104 CZ PHE A 600 9.458 -8.911 -2.047 1.00 2.02 C ATOM 0 H PHE A 600 6.941 -9.301 1.902 1.00 0.69 H new ATOM 0 HA PHE A 600 4.219 -8.631 1.083 1.00 0.82 H new ATOM 0 HB2 PHE A 600 5.283 -7.241 -0.510 1.00 0.93 H new ATOM 0 HB3 PHE A 600 6.249 -7.088 0.944 1.00 0.93 H new ATOM 0 HD1 PHE A 600 8.475 -8.151 1.084 1.00 1.38 H new ATOM 0 HD2 PHE A 600 6.178 -8.291 -2.500 1.00 1.21 H new ATOM 0 HE1 PHE A 600 10.481 -8.801 -0.174 1.00 1.92 H new ATOM 0 HE2 PHE A 600 8.183 -8.939 -3.762 1.00 1.63 H new ATOM 0 HZ PHE A 600 10.340 -9.196 -2.601 1.00 2.02 H new ATOM 114 N LYS A 601 5.568 -11.252 0.056 1.00 0.87 N ATOM 115 CA LYS A 601 5.459 -12.393 -0.843 1.00 1.02 C ATOM 116 C LYS A 601 4.155 -13.151 -0.608 1.00 0.99 C ATOM 117 O LYS A 601 3.853 -14.116 -1.311 1.00 1.13 O ATOM 118 CB LYS A 601 6.652 -13.332 -0.653 1.00 1.16 C ATOM 119 CG LYS A 601 6.550 -14.192 0.592 1.00 1.16 C ATOM 120 CD LYS A 601 6.286 -15.647 0.238 1.00 1.78 C ATOM 121 CE LYS A 601 4.903 -16.093 0.689 1.00 2.40 C ATOM 122 NZ LYS A 601 4.561 -17.446 0.170 1.00 3.20 N ATOM 0 H LYS A 601 6.084 -11.439 0.916 1.00 0.87 H new ATOM 0 HA LYS A 601 5.459 -12.019 -1.867 1.00 1.02 H new ATOM 0 HB2 LYS A 601 6.738 -13.979 -1.526 1.00 1.16 H new ATOM 0 HB3 LYS A 601 7.566 -12.740 -0.603 1.00 1.16 H new ATOM 0 HG2 LYS A 601 7.474 -14.117 1.165 1.00 1.16 H new ATOM 0 HG3 LYS A 601 5.748 -13.819 1.229 1.00 1.16 H new ATOM 0 HD2 LYS A 601 6.379 -15.782 -0.840 1.00 1.78 H new ATOM 0 HD3 LYS A 601 7.042 -16.278 0.705 1.00 1.78 H new ATOM 0 HE2 LYS A 601 4.861 -16.100 1.778 1.00 2.40 H new ATOM 0 HE3 LYS A 601 4.159 -15.374 0.346 1.00 2.40 H new ATOM 0 HZ1 LYS A 601 3.612 -17.714 0.499 1.00 3.20 H new ATOM 0 HZ2 LYS A 601 4.576 -17.433 -0.870 1.00 3.20 H new ATOM 0 HZ3 LYS A 601 5.256 -18.137 0.518 1.00 3.20 H new ATOM 136 N GLN A 602 3.387 -12.707 0.382 1.00 0.85 N ATOM 137 CA GLN A 602 2.116 -13.346 0.710 1.00 0.89 C ATOM 138 C GLN A 602 1.074 -13.067 -0.369 1.00 0.98 C ATOM 139 O GLN A 602 1.410 -12.665 -1.482 1.00 1.98 O ATOM 140 CB GLN A 602 1.605 -12.855 2.067 1.00 0.87 C ATOM 141 CG GLN A 602 2.689 -12.741 3.125 1.00 0.78 C ATOM 142 CD GLN A 602 3.240 -14.088 3.548 1.00 0.99 C ATOM 143 OE1 GLN A 602 2.559 -14.870 4.211 1.00 1.25 O ATOM 144 NE2 GLN A 602 4.482 -14.365 3.167 1.00 1.15 N ATOM 0 H GLN A 602 3.622 -11.908 0.971 1.00 0.85 H new ATOM 0 HA GLN A 602 2.283 -14.422 0.762 1.00 0.89 H new ATOM 0 HB2 GLN A 602 1.134 -11.881 1.937 1.00 0.87 H new ATOM 0 HB3 GLN A 602 0.833 -13.537 2.423 1.00 0.87 H new ATOM 0 HG2 GLN A 602 3.502 -12.125 2.741 1.00 0.78 H new ATOM 0 HG3 GLN A 602 2.286 -12.228 3.998 1.00 0.78 H new ATOM 0 HE21 GLN A 602 5.010 -13.687 2.618 1.00 1.15 H new ATOM 0 HE22 GLN A 602 4.907 -15.256 3.423 1.00 1.15 H new ATOM 153 N SER A 603 -0.193 -13.283 -0.030 1.00 0.46 N ATOM 154 CA SER A 603 -1.285 -13.055 -0.967 1.00 0.46 C ATOM 155 C SER A 603 -2.212 -11.954 -0.461 1.00 0.42 C ATOM 156 O SER A 603 -2.972 -11.367 -1.233 1.00 0.55 O ATOM 157 CB SER A 603 -2.077 -14.344 -1.183 1.00 0.52 C ATOM 158 OG SER A 603 -1.262 -15.484 -0.972 1.00 1.06 O ATOM 0 H SER A 603 -0.488 -13.616 0.888 1.00 0.46 H new ATOM 0 HA SER A 603 -0.856 -12.738 -1.917 1.00 0.46 H new ATOM 0 HB2 SER A 603 -2.928 -14.370 -0.502 1.00 0.52 H new ATOM 0 HB3 SER A 603 -2.479 -14.362 -2.196 1.00 0.52 H new ATOM 0 HG SER A 603 -1.792 -16.296 -1.114 1.00 1.06 H new ATOM 164 N GLU A 604 -2.144 -11.680 0.839 1.00 0.31 N ATOM 165 CA GLU A 604 -2.978 -10.651 1.448 1.00 0.30 C ATOM 166 C GLU A 604 -2.181 -9.818 2.447 1.00 0.27 C ATOM 167 O GLU A 604 -1.848 -10.287 3.535 1.00 0.38 O ATOM 168 CB GLU A 604 -4.181 -11.285 2.149 1.00 0.35 C ATOM 169 CG GLU A 604 -5.049 -12.131 1.231 1.00 0.51 C ATOM 170 CD GLU A 604 -5.957 -13.075 1.996 1.00 0.82 C ATOM 171 OE1 GLU A 604 -6.651 -12.609 2.925 1.00 1.48 O ATOM 172 OE2 GLU A 604 -5.973 -14.278 1.666 1.00 1.26 O ATOM 0 H GLU A 604 -1.520 -12.157 1.490 1.00 0.31 H new ATOM 0 HA GLU A 604 -3.331 -9.994 0.653 1.00 0.30 H new ATOM 0 HB2 GLU A 604 -3.825 -11.906 2.971 1.00 0.35 H new ATOM 0 HB3 GLU A 604 -4.792 -10.496 2.587 1.00 0.35 H new ATOM 0 HG2 GLU A 604 -5.656 -11.476 0.605 1.00 0.51 H new ATOM 0 HG3 GLU A 604 -4.410 -12.709 0.563 1.00 0.51 H new ATOM 179 N LEU A 605 -1.887 -8.578 2.072 1.00 0.20 N ATOM 180 CA LEU A 605 -1.140 -7.672 2.937 1.00 0.22 C ATOM 181 C LEU A 605 -2.087 -6.693 3.623 1.00 0.19 C ATOM 182 O LEU A 605 -2.947 -6.095 2.977 1.00 0.24 O ATOM 183 CB LEU A 605 -0.091 -6.907 2.129 1.00 0.27 C ATOM 184 CG LEU A 605 1.217 -6.628 2.869 1.00 0.38 C ATOM 185 CD1 LEU A 605 1.995 -7.917 3.084 1.00 1.26 C ATOM 186 CD2 LEU A 605 2.056 -5.619 2.100 1.00 1.04 C ATOM 0 H LEU A 605 -2.155 -8.177 1.173 1.00 0.20 H new ATOM 0 HA LEU A 605 -0.633 -8.263 3.699 1.00 0.22 H new ATOM 0 HB2 LEU A 605 0.134 -7.474 1.225 1.00 0.27 H new ATOM 0 HB3 LEU A 605 -0.521 -5.957 1.811 1.00 0.27 H new ATOM 0 HG LEU A 605 0.978 -6.206 3.845 1.00 0.38 H new ATOM 0 HD11 LEU A 605 2.923 -7.698 3.612 1.00 1.26 H new ATOM 0 HD12 LEU A 605 1.396 -8.609 3.675 1.00 1.26 H new ATOM 0 HD13 LEU A 605 2.225 -8.369 2.119 1.00 1.26 H new ATOM 0 HD21 LEU A 605 2.984 -5.431 2.640 1.00 1.04 H new ATOM 0 HD22 LEU A 605 2.285 -6.015 1.111 1.00 1.04 H new ATOM 0 HD23 LEU A 605 1.501 -4.687 1.997 1.00 1.04 H new ATOM 198 N PRO A 606 -1.953 -6.516 4.948 1.00 0.21 N ATOM 199 CA PRO A 606 -2.814 -5.607 5.707 1.00 0.21 C ATOM 200 C PRO A 606 -2.509 -4.138 5.431 1.00 0.20 C ATOM 201 O PRO A 606 -1.365 -3.698 5.544 1.00 0.34 O ATOM 202 CB PRO A 606 -2.499 -5.955 7.163 1.00 0.28 C ATOM 203 CG PRO A 606 -1.107 -6.487 7.132 1.00 0.44 C ATOM 204 CD PRO A 606 -0.959 -7.189 5.809 1.00 0.33 C ATOM 0 HA PRO A 606 -3.864 -5.728 5.440 1.00 0.21 H new ATOM 0 HB2 PRO A 606 -2.573 -5.077 7.805 1.00 0.28 H new ATOM 0 HB3 PRO A 606 -3.197 -6.695 7.553 1.00 0.28 H new ATOM 0 HG2 PRO A 606 -0.379 -5.681 7.229 1.00 0.44 H new ATOM 0 HG3 PRO A 606 -0.934 -7.175 7.960 1.00 0.44 H new ATOM 0 HD2 PRO A 606 0.051 -7.087 5.411 1.00 0.33 H new ATOM 0 HD3 PRO A 606 -1.161 -8.257 5.896 1.00 0.33 H new ATOM 212 N VAL A 607 -3.546 -3.383 5.080 1.00 0.14 N ATOM 213 CA VAL A 607 -3.402 -1.961 4.798 1.00 0.13 C ATOM 214 C VAL A 607 -4.212 -1.140 5.794 1.00 0.10 C ATOM 215 O VAL A 607 -5.220 -1.612 6.321 1.00 0.11 O ATOM 216 CB VAL A 607 -3.855 -1.606 3.365 1.00 0.18 C ATOM 217 CG1 VAL A 607 -2.669 -1.158 2.526 1.00 0.37 C ATOM 218 CG2 VAL A 607 -4.563 -2.782 2.709 1.00 0.31 C ATOM 0 H VAL A 607 -4.498 -3.735 4.984 1.00 0.14 H new ATOM 0 HA VAL A 607 -2.342 -1.723 4.891 1.00 0.13 H new ATOM 0 HB VAL A 607 -4.564 -0.780 3.429 1.00 0.18 H new ATOM 0 HG11 VAL A 607 -3.008 -0.912 1.520 1.00 0.37 H new ATOM 0 HG12 VAL A 607 -2.213 -0.278 2.981 1.00 0.37 H new ATOM 0 HG13 VAL A 607 -1.935 -1.962 2.475 1.00 0.37 H new ATOM 0 HG21 VAL A 607 -4.871 -2.505 1.701 1.00 0.31 H new ATOM 0 HG22 VAL A 607 -3.884 -3.634 2.660 1.00 0.31 H new ATOM 0 HG23 VAL A 607 -5.441 -3.051 3.296 1.00 0.31 H new ATOM 228 N THR A 608 -3.770 0.084 6.052 1.00 0.11 N ATOM 229 CA THR A 608 -4.460 0.958 6.990 1.00 0.12 C ATOM 230 C THR A 608 -4.393 2.413 6.553 1.00 0.11 C ATOM 231 O THR A 608 -3.370 3.076 6.721 1.00 0.16 O ATOM 232 CB THR A 608 -3.871 0.856 8.405 1.00 0.16 C ATOM 233 OG1 THR A 608 -2.451 1.039 8.362 1.00 0.30 O ATOM 234 CG2 THR A 608 -4.195 -0.488 9.037 1.00 0.34 C ATOM 0 H THR A 608 -2.939 0.493 5.626 1.00 0.11 H new ATOM 0 HA THR A 608 -5.498 0.624 7.002 1.00 0.12 H new ATOM 0 HB THR A 608 -4.320 1.641 9.014 1.00 0.16 H new ATOM 0 HG1 THR A 608 -2.085 0.974 9.269 1.00 0.30 H new ATOM 0 HG21 THR A 608 -3.766 -0.532 10.038 1.00 0.34 H new ATOM 0 HG22 THR A 608 -5.276 -0.609 9.100 1.00 0.34 H new ATOM 0 HG23 THR A 608 -3.775 -1.288 8.427 1.00 0.34 H new ATOM 242 N CYS A 609 -5.490 2.909 6.003 1.00 0.15 N ATOM 243 CA CYS A 609 -5.554 4.291 5.553 1.00 0.17 C ATOM 244 C CYS A 609 -6.496 5.102 6.433 1.00 0.17 C ATOM 245 O CYS A 609 -7.711 4.942 6.367 1.00 0.18 O ATOM 246 CB CYS A 609 -6.020 4.349 4.104 1.00 0.20 C ATOM 247 SG CYS A 609 -6.322 6.024 3.496 1.00 0.67 S ATOM 0 H CYS A 609 -6.347 2.376 5.857 1.00 0.15 H new ATOM 0 HA CYS A 609 -4.555 4.721 5.626 1.00 0.17 H new ATOM 0 HB2 CYS A 609 -5.269 3.874 3.472 1.00 0.20 H new ATOM 0 HB3 CYS A 609 -6.936 3.766 4.004 1.00 0.20 H new ATOM 0 HG CYS A 609 -5.190 6.653 3.376 1.00 0.67 H new ATOM 253 N GLY A 610 -5.926 5.971 7.255 1.00 0.21 N ATOM 254 CA GLY A 610 -6.732 6.789 8.141 1.00 0.23 C ATOM 255 C GLY A 610 -7.550 5.950 9.100 1.00 0.22 C ATOM 256 O GLY A 610 -8.762 6.139 9.219 1.00 0.23 O ATOM 0 H GLY A 610 -4.920 6.125 7.325 1.00 0.21 H new ATOM 0 HA2 GLY A 610 -6.084 7.458 8.707 1.00 0.23 H new ATOM 0 HA3 GLY A 610 -7.398 7.416 7.549 1.00 0.23 H new ATOM 260 N GLU A 611 -6.883 5.012 9.773 1.00 0.25 N ATOM 261 CA GLU A 611 -7.542 4.118 10.726 1.00 0.31 C ATOM 262 C GLU A 611 -8.451 3.130 10.003 1.00 0.28 C ATOM 263 O GLU A 611 -9.078 2.273 10.626 1.00 0.35 O ATOM 264 CB GLU A 611 -8.346 4.917 11.753 1.00 0.37 C ATOM 265 CG GLU A 611 -7.530 5.968 12.482 1.00 1.46 C ATOM 266 CD GLU A 611 -8.381 7.108 13.008 1.00 2.00 C ATOM 267 OE1 GLU A 611 -9.049 6.919 14.047 1.00 2.48 O ATOM 268 OE2 GLU A 611 -8.378 8.188 12.383 1.00 2.54 O ATOM 0 H GLU A 611 -5.881 4.851 9.675 1.00 0.25 H new ATOM 0 HA GLU A 611 -6.767 3.558 11.250 1.00 0.31 H new ATOM 0 HB2 GLU A 611 -9.181 5.403 11.249 1.00 0.37 H new ATOM 0 HB3 GLU A 611 -8.771 4.229 12.483 1.00 0.37 H new ATOM 0 HG2 GLU A 611 -7.002 5.500 13.313 1.00 1.46 H new ATOM 0 HG3 GLU A 611 -6.772 6.367 11.807 1.00 1.46 H new ATOM 275 N VAL A 612 -8.520 3.264 8.682 1.00 0.20 N ATOM 276 CA VAL A 612 -9.352 2.391 7.861 1.00 0.22 C ATOM 277 C VAL A 612 -8.555 1.193 7.355 1.00 0.21 C ATOM 278 O VAL A 612 -7.829 1.290 6.366 1.00 0.30 O ATOM 279 CB VAL A 612 -9.933 3.159 6.658 1.00 0.22 C ATOM 280 CG1 VAL A 612 -10.740 2.232 5.759 1.00 0.27 C ATOM 281 CG2 VAL A 612 -10.787 4.325 7.134 1.00 0.25 C ATOM 0 H VAL A 612 -8.008 3.972 8.156 1.00 0.20 H new ATOM 0 HA VAL A 612 -10.169 2.036 8.489 1.00 0.22 H new ATOM 0 HB VAL A 612 -9.103 3.555 6.073 1.00 0.22 H new ATOM 0 HG11 VAL A 612 -11.139 2.798 4.917 1.00 0.27 H new ATOM 0 HG12 VAL A 612 -10.097 1.435 5.387 1.00 0.27 H new ATOM 0 HG13 VAL A 612 -11.563 1.799 6.328 1.00 0.27 H new ATOM 0 HG21 VAL A 612 -11.190 4.857 6.272 1.00 0.25 H new ATOM 0 HG22 VAL A 612 -11.608 3.949 7.745 1.00 0.25 H new ATOM 0 HG23 VAL A 612 -10.176 5.005 7.727 1.00 0.25 H new ATOM 291 N LYS A 613 -8.694 0.064 8.042 1.00 0.15 N ATOM 292 CA LYS A 613 -7.983 -1.154 7.667 1.00 0.14 C ATOM 293 C LYS A 613 -8.545 -1.747 6.379 1.00 0.15 C ATOM 294 O LYS A 613 -9.596 -1.330 5.895 1.00 0.25 O ATOM 295 CB LYS A 613 -8.070 -2.185 8.791 1.00 0.16 C ATOM 296 CG LYS A 613 -6.719 -2.720 9.231 1.00 0.35 C ATOM 297 CD LYS A 613 -6.868 -3.957 10.099 1.00 0.69 C ATOM 298 CE LYS A 613 -6.543 -5.225 9.324 1.00 1.45 C ATOM 299 NZ LYS A 613 -6.395 -6.402 10.224 1.00 1.76 N ATOM 0 H LYS A 613 -9.293 -0.033 8.862 1.00 0.15 H new ATOM 0 HA LYS A 613 -6.939 -0.892 7.497 1.00 0.14 H new ATOM 0 HB2 LYS A 613 -8.570 -1.734 9.648 1.00 0.16 H new ATOM 0 HB3 LYS A 613 -8.691 -3.018 8.462 1.00 0.16 H new ATOM 0 HG2 LYS A 613 -6.118 -2.960 8.354 1.00 0.35 H new ATOM 0 HG3 LYS A 613 -6.183 -1.948 9.784 1.00 0.35 H new ATOM 0 HD2 LYS A 613 -6.208 -3.878 10.963 1.00 0.69 H new ATOM 0 HD3 LYS A 613 -7.887 -4.014 10.481 1.00 0.69 H new ATOM 0 HE2 LYS A 613 -7.333 -5.420 8.598 1.00 1.45 H new ATOM 0 HE3 LYS A 613 -5.621 -5.080 8.761 1.00 1.45 H new ATOM 0 HZ1 LYS A 613 -6.174 -7.246 9.658 1.00 1.76 H new ATOM 0 HZ2 LYS A 613 -5.625 -6.227 10.900 1.00 1.76 H new ATOM 0 HZ3 LYS A 613 -7.283 -6.556 10.743 1.00 1.76 H new ATOM 313 N GLY A 614 -7.831 -2.728 5.833 1.00 0.13 N ATOM 314 CA GLY A 614 -8.265 -3.371 4.608 1.00 0.14 C ATOM 315 C GLY A 614 -7.337 -4.492 4.182 1.00 0.15 C ATOM 316 O GLY A 614 -6.190 -4.558 4.621 1.00 0.24 O ATOM 0 H GLY A 614 -6.958 -3.088 6.219 1.00 0.13 H new ATOM 0 HA2 GLY A 614 -9.270 -3.768 4.746 1.00 0.14 H new ATOM 0 HA3 GLY A 614 -8.322 -2.629 3.812 1.00 0.14 H new ATOM 320 N THR A 615 -7.836 -5.373 3.323 1.00 0.15 N ATOM 321 CA THR A 615 -7.045 -6.493 2.830 1.00 0.16 C ATOM 322 C THR A 615 -6.534 -6.212 1.422 1.00 0.14 C ATOM 323 O THR A 615 -7.317 -6.058 0.488 1.00 0.17 O ATOM 324 CB THR A 615 -7.860 -7.797 2.819 1.00 0.20 C ATOM 325 OG1 THR A 615 -9.133 -7.587 3.440 1.00 0.44 O ATOM 326 CG2 THR A 615 -7.114 -8.907 3.545 1.00 0.42 C ATOM 0 H THR A 615 -8.786 -5.333 2.953 1.00 0.15 H new ATOM 0 HA THR A 615 -6.201 -6.613 3.509 1.00 0.16 H new ATOM 0 HB THR A 615 -8.008 -8.097 1.782 1.00 0.20 H new ATOM 0 HG1 THR A 615 -9.645 -8.422 3.427 1.00 0.44 H new ATOM 0 HG21 THR A 615 -7.710 -9.820 3.524 1.00 0.42 H new ATOM 0 HG22 THR A 615 -6.159 -9.086 3.052 1.00 0.42 H new ATOM 0 HG23 THR A 615 -6.939 -8.611 4.579 1.00 0.42 H new ATOM 334 N LEU A 616 -5.215 -6.135 1.283 1.00 0.14 N ATOM 335 CA LEU A 616 -4.595 -5.858 -0.009 1.00 0.16 C ATOM 336 C LEU A 616 -4.186 -7.145 -0.721 1.00 0.15 C ATOM 337 O LEU A 616 -3.546 -8.017 -0.135 1.00 0.18 O ATOM 338 CB LEU A 616 -3.375 -4.954 0.177 1.00 0.21 C ATOM 339 CG LEU A 616 -2.599 -4.644 -1.103 1.00 0.22 C ATOM 340 CD1 LEU A 616 -2.171 -3.185 -1.126 1.00 0.38 C ATOM 341 CD2 LEU A 616 -1.390 -5.559 -1.221 1.00 0.40 C ATOM 0 H LEU A 616 -4.554 -6.260 2.049 1.00 0.14 H new ATOM 0 HA LEU A 616 -5.332 -5.350 -0.631 1.00 0.16 H new ATOM 0 HB2 LEU A 616 -3.702 -4.014 0.622 1.00 0.21 H new ATOM 0 HB3 LEU A 616 -2.698 -5.425 0.889 1.00 0.21 H new ATOM 0 HG LEU A 616 -3.252 -4.822 -1.958 1.00 0.22 H new ATOM 0 HD11 LEU A 616 -1.620 -2.982 -2.044 1.00 0.38 H new ATOM 0 HD12 LEU A 616 -3.053 -2.546 -1.084 1.00 0.38 H new ATOM 0 HD13 LEU A 616 -1.533 -2.979 -0.267 1.00 0.38 H new ATOM 0 HD21 LEU A 616 -0.846 -5.327 -2.137 1.00 0.40 H new ATOM 0 HD22 LEU A 616 -0.735 -5.409 -0.363 1.00 0.40 H new ATOM 0 HD23 LEU A 616 -1.721 -6.597 -1.248 1.00 0.40 H new ATOM 353 N TYR A 617 -4.555 -7.251 -1.994 1.00 0.14 N ATOM 354 CA TYR A 617 -4.222 -8.425 -2.796 1.00 0.16 C ATOM 355 C TYR A 617 -2.925 -8.199 -3.568 1.00 0.21 C ATOM 356 O TYR A 617 -2.836 -7.297 -4.400 1.00 0.22 O ATOM 357 CB TYR A 617 -5.362 -8.746 -3.764 1.00 0.16 C ATOM 358 CG TYR A 617 -6.497 -9.510 -3.122 1.00 0.20 C ATOM 359 CD1 TYR A 617 -7.371 -8.881 -2.244 1.00 0.29 C ATOM 360 CD2 TYR A 617 -6.694 -10.858 -3.390 1.00 0.31 C ATOM 361 CE1 TYR A 617 -8.408 -9.574 -1.650 1.00 0.34 C ATOM 362 CE2 TYR A 617 -7.731 -11.558 -2.801 1.00 0.37 C ATOM 363 CZ TYR A 617 -8.583 -10.911 -1.932 1.00 0.34 C ATOM 364 OH TYR A 617 -9.616 -11.605 -1.343 1.00 0.43 O ATOM 0 H TYR A 617 -5.086 -6.537 -2.494 1.00 0.14 H new ATOM 0 HA TYR A 617 -4.081 -9.271 -2.124 1.00 0.16 H new ATOM 0 HB2 TYR A 617 -5.749 -7.815 -4.179 1.00 0.16 H new ATOM 0 HB3 TYR A 617 -4.968 -9.327 -4.598 1.00 0.16 H new ATOM 0 HD1 TYR A 617 -7.237 -7.833 -2.022 1.00 0.29 H new ATOM 0 HD2 TYR A 617 -6.027 -11.368 -4.069 1.00 0.31 H new ATOM 0 HE1 TYR A 617 -9.078 -9.070 -0.968 1.00 0.34 H new ATOM 0 HE2 TYR A 617 -7.872 -12.606 -3.021 1.00 0.37 H new ATOM 0 HH TYR A 617 -9.600 -12.536 -1.648 1.00 0.43 H new ATOM 374 N LYS A 618 -1.920 -9.020 -3.280 1.00 0.27 N ATOM 375 CA LYS A 618 -0.621 -8.909 -3.938 1.00 0.34 C ATOM 376 C LYS A 618 -0.721 -9.231 -5.427 1.00 0.33 C ATOM 377 O LYS A 618 0.031 -8.693 -6.237 1.00 0.37 O ATOM 378 CB LYS A 618 0.393 -9.843 -3.273 1.00 0.44 C ATOM 379 CG LYS A 618 0.349 -9.820 -1.751 1.00 0.80 C ATOM 380 CD LYS A 618 0.607 -8.426 -1.198 1.00 1.13 C ATOM 381 CE LYS A 618 2.059 -8.013 -1.374 1.00 1.56 C ATOM 382 NZ LYS A 618 2.273 -6.576 -1.045 1.00 2.48 N ATOM 0 H LYS A 618 -1.980 -9.772 -2.593 1.00 0.27 H new ATOM 0 HA LYS A 618 -0.285 -7.877 -3.834 1.00 0.34 H new ATOM 0 HB2 LYS A 618 0.213 -10.862 -3.616 1.00 0.44 H new ATOM 0 HB3 LYS A 618 1.395 -9.568 -3.602 1.00 0.44 H new ATOM 0 HG2 LYS A 618 -0.625 -10.171 -1.410 1.00 0.80 H new ATOM 0 HG3 LYS A 618 1.093 -10.511 -1.356 1.00 0.80 H new ATOM 0 HD2 LYS A 618 -0.040 -7.708 -1.703 1.00 1.13 H new ATOM 0 HD3 LYS A 618 0.347 -8.400 -0.140 1.00 1.13 H new ATOM 0 HE2 LYS A 618 2.691 -8.629 -0.735 1.00 1.56 H new ATOM 0 HE3 LYS A 618 2.367 -8.199 -2.403 1.00 1.56 H new ATOM 0 HZ1 LYS A 618 2.594 -6.069 -1.895 1.00 2.48 H new ATOM 0 HZ2 LYS A 618 1.381 -6.160 -0.710 1.00 2.48 H new ATOM 0 HZ3 LYS A 618 2.994 -6.494 -0.300 1.00 2.48 H new ATOM 396 N GLU A 619 -1.644 -10.120 -5.776 1.00 0.31 N ATOM 397 CA GLU A 619 -1.833 -10.527 -7.167 1.00 0.34 C ATOM 398 C GLU A 619 -2.125 -9.330 -8.070 1.00 0.30 C ATOM 399 O GLU A 619 -1.971 -9.413 -9.289 1.00 0.34 O ATOM 400 CB GLU A 619 -2.970 -11.549 -7.284 1.00 0.35 C ATOM 401 CG GLU A 619 -3.371 -12.189 -5.964 1.00 1.04 C ATOM 402 CD GLU A 619 -3.632 -13.675 -6.095 1.00 1.45 C ATOM 403 OE1 GLU A 619 -2.685 -14.418 -6.428 1.00 2.07 O ATOM 404 OE2 GLU A 619 -4.785 -14.098 -5.865 1.00 1.68 O ATOM 0 H GLU A 619 -2.275 -10.574 -5.115 1.00 0.31 H new ATOM 0 HA GLU A 619 -0.901 -10.986 -7.497 1.00 0.34 H new ATOM 0 HB2 GLU A 619 -3.842 -11.058 -7.717 1.00 0.35 H new ATOM 0 HB3 GLU A 619 -2.669 -12.333 -7.978 1.00 0.35 H new ATOM 0 HG2 GLU A 619 -2.582 -12.025 -5.230 1.00 1.04 H new ATOM 0 HG3 GLU A 619 -4.267 -11.698 -5.583 1.00 1.04 H new ATOM 411 N ARG A 620 -2.556 -8.222 -7.473 1.00 0.25 N ATOM 412 CA ARG A 620 -2.878 -7.020 -8.238 1.00 0.25 C ATOM 413 C ARG A 620 -2.030 -5.829 -7.795 1.00 0.27 C ATOM 414 O ARG A 620 -1.795 -4.902 -8.570 1.00 0.29 O ATOM 415 CB ARG A 620 -4.362 -6.680 -8.082 1.00 0.25 C ATOM 416 CG ARG A 620 -5.253 -7.359 -9.108 1.00 0.38 C ATOM 417 CD ARG A 620 -6.657 -7.577 -8.567 1.00 0.55 C ATOM 418 NE ARG A 620 -7.680 -7.303 -9.572 1.00 0.88 N ATOM 419 CZ ARG A 620 -8.359 -8.250 -10.214 1.00 0.95 C ATOM 420 NH1 ARG A 620 -8.128 -9.530 -9.958 1.00 1.77 N ATOM 421 NH2 ARG A 620 -9.274 -7.915 -11.115 1.00 1.17 N ATOM 0 H ARG A 620 -2.690 -8.131 -6.466 1.00 0.25 H new ATOM 0 HA ARG A 620 -2.656 -7.225 -9.285 1.00 0.25 H new ATOM 0 HB2 ARG A 620 -4.689 -6.967 -7.083 1.00 0.25 H new ATOM 0 HB3 ARG A 620 -4.489 -5.600 -8.161 1.00 0.25 H new ATOM 0 HG2 ARG A 620 -5.300 -6.750 -10.011 1.00 0.38 H new ATOM 0 HG3 ARG A 620 -4.818 -8.317 -9.392 1.00 0.38 H new ATOM 0 HD2 ARG A 620 -6.756 -8.606 -8.220 1.00 0.55 H new ATOM 0 HD3 ARG A 620 -6.816 -6.932 -7.703 1.00 0.55 H new ATOM 0 HE ARG A 620 -7.886 -6.329 -9.795 1.00 0.88 H new ATOM 0 HH11 ARG A 620 -7.427 -9.793 -9.266 1.00 1.77 H new ATOM 0 HH12 ARG A 620 -8.652 -10.252 -10.453 1.00 1.77 H new ATOM 0 HH21 ARG A 620 -9.457 -6.932 -11.315 1.00 1.17 H new ATOM 0 HH22 ARG A 620 -9.795 -8.641 -11.607 1.00 1.17 H new ATOM 435 N PHE A 621 -1.586 -5.856 -6.544 1.00 0.31 N ATOM 436 CA PHE A 621 -0.778 -4.773 -5.990 1.00 0.38 C ATOM 437 C PHE A 621 0.572 -4.652 -6.695 1.00 0.33 C ATOM 438 O PHE A 621 1.222 -3.608 -6.624 1.00 0.34 O ATOM 439 CB PHE A 621 -0.558 -4.982 -4.492 1.00 0.53 C ATOM 440 CG PHE A 621 0.120 -3.821 -3.820 1.00 0.75 C ATOM 441 CD1 PHE A 621 -0.318 -2.524 -4.035 1.00 0.87 C ATOM 442 CD2 PHE A 621 1.196 -4.027 -2.969 1.00 0.96 C ATOM 443 CE1 PHE A 621 0.302 -1.456 -3.416 1.00 1.13 C ATOM 444 CE2 PHE A 621 1.820 -2.964 -2.348 1.00 1.21 C ATOM 445 CZ PHE A 621 1.377 -1.673 -2.583 1.00 1.27 C ATOM 0 H PHE A 621 -1.772 -6.618 -5.891 1.00 0.31 H new ATOM 0 HA PHE A 621 -1.328 -3.846 -6.152 1.00 0.38 H new ATOM 0 HB2 PHE A 621 -1.521 -5.158 -4.012 1.00 0.53 H new ATOM 0 HB3 PHE A 621 0.042 -5.880 -4.342 1.00 0.53 H new ATOM 0 HD1 PHE A 621 -1.154 -2.346 -4.695 1.00 0.87 H new ATOM 0 HD2 PHE A 621 1.550 -5.032 -2.790 1.00 0.96 H new ATOM 0 HE1 PHE A 621 -0.056 -0.451 -3.585 1.00 1.13 H new ATOM 0 HE2 PHE A 621 2.651 -3.138 -1.681 1.00 1.21 H new ATOM 0 HZ PHE A 621 1.874 -0.837 -2.113 1.00 1.27 H new ATOM 455 N LYS A 622 0.998 -5.720 -7.360 1.00 0.33 N ATOM 456 CA LYS A 622 2.281 -5.722 -8.060 1.00 0.39 C ATOM 457 C LYS A 622 2.378 -4.569 -9.056 1.00 0.38 C ATOM 458 O LYS A 622 3.470 -4.230 -9.515 1.00 0.48 O ATOM 459 CB LYS A 622 2.493 -7.055 -8.780 1.00 0.48 C ATOM 460 CG LYS A 622 2.619 -8.240 -7.837 1.00 1.26 C ATOM 461 CD LYS A 622 3.830 -8.100 -6.925 1.00 2.09 C ATOM 462 CE LYS A 622 4.797 -9.260 -7.100 1.00 2.24 C ATOM 463 NZ LYS A 622 4.904 -10.087 -5.866 1.00 2.99 N ATOM 0 H LYS A 622 0.477 -6.594 -7.430 1.00 0.33 H new ATOM 0 HA LYS A 622 3.064 -5.589 -7.314 1.00 0.39 H new ATOM 0 HB2 LYS A 622 1.659 -7.229 -9.459 1.00 0.48 H new ATOM 0 HB3 LYS A 622 3.393 -6.990 -9.391 1.00 0.48 H new ATOM 0 HG2 LYS A 622 1.715 -8.324 -7.233 1.00 1.26 H new ATOM 0 HG3 LYS A 622 2.702 -9.160 -8.416 1.00 1.26 H new ATOM 0 HD2 LYS A 622 4.342 -7.162 -7.140 1.00 2.09 H new ATOM 0 HD3 LYS A 622 3.501 -8.053 -5.887 1.00 2.09 H new ATOM 0 HE2 LYS A 622 4.466 -9.886 -7.929 1.00 2.24 H new ATOM 0 HE3 LYS A 622 5.782 -8.875 -7.365 1.00 2.24 H new ATOM 0 HZ1 LYS A 622 5.573 -10.867 -6.028 1.00 2.99 H new ATOM 0 HZ2 LYS A 622 5.244 -9.496 -5.081 1.00 2.99 H new ATOM 0 HZ3 LYS A 622 3.970 -10.476 -5.627 1.00 2.99 H new ATOM 477 N GLN A 623 1.240 -3.964 -9.382 1.00 0.35 N ATOM 478 CA GLN A 623 1.218 -2.846 -10.319 1.00 0.46 C ATOM 479 C GLN A 623 1.097 -1.519 -9.575 1.00 0.49 C ATOM 480 O GLN A 623 1.442 -0.467 -10.110 1.00 0.63 O ATOM 481 CB GLN A 623 0.056 -2.997 -11.300 1.00 0.55 C ATOM 482 CG GLN A 623 0.105 -4.285 -12.105 1.00 0.68 C ATOM 483 CD GLN A 623 -0.822 -4.259 -13.303 1.00 0.92 C ATOM 484 OE1 GLN A 623 -0.598 -3.520 -14.261 1.00 1.48 O ATOM 485 NE2 GLN A 623 -1.874 -5.068 -13.255 1.00 1.27 N ATOM 0 H GLN A 623 0.326 -4.227 -9.014 1.00 0.35 H new ATOM 0 HA GLN A 623 2.156 -2.851 -10.874 1.00 0.46 H new ATOM 0 HB2 GLN A 623 -0.883 -2.959 -10.747 1.00 0.55 H new ATOM 0 HB3 GLN A 623 0.057 -2.149 -11.985 1.00 0.55 H new ATOM 0 HG2 GLN A 623 1.126 -4.458 -12.444 1.00 0.68 H new ATOM 0 HG3 GLN A 623 -0.163 -5.122 -11.461 1.00 0.68 H new ATOM 0 HE21 GLN A 623 -2.022 -5.665 -12.441 1.00 1.27 H new ATOM 0 HE22 GLN A 623 -2.534 -5.093 -14.032 1.00 1.27 H new ATOM 494 N GLY A 624 0.619 -1.588 -8.334 1.00 0.42 N ATOM 495 CA GLY A 624 0.462 -0.396 -7.511 1.00 0.47 C ATOM 496 C GLY A 624 -0.449 0.650 -8.133 1.00 0.66 C ATOM 497 O GLY A 624 -0.259 1.048 -9.282 1.00 1.40 O ATOM 0 H GLY A 624 0.335 -2.456 -7.879 1.00 0.42 H new ATOM 0 HA2 GLY A 624 0.062 -0.684 -6.539 1.00 0.47 H new ATOM 0 HA3 GLY A 624 1.442 0.046 -7.333 1.00 0.47 H new ATOM 501 N THR A 625 -1.435 1.099 -7.357 1.00 0.31 N ATOM 502 CA THR A 625 -2.394 2.114 -7.801 1.00 0.32 C ATOM 503 C THR A 625 -2.848 1.896 -9.245 1.00 0.34 C ATOM 504 O THR A 625 -3.153 2.851 -9.962 1.00 0.61 O ATOM 505 CB THR A 625 -1.825 3.543 -7.644 1.00 0.34 C ATOM 506 OG1 THR A 625 -2.877 4.504 -7.779 1.00 0.91 O ATOM 507 CG2 THR A 625 -0.739 3.831 -8.673 1.00 0.76 C ATOM 0 H THR A 625 -1.593 0.771 -6.404 1.00 0.31 H new ATOM 0 HA THR A 625 -3.264 2.007 -7.154 1.00 0.32 H new ATOM 0 HB THR A 625 -1.380 3.616 -6.651 1.00 0.34 H new ATOM 0 HG1 THR A 625 -3.458 4.250 -8.526 1.00 0.91 H new ATOM 0 HG21 THR A 625 -0.363 4.844 -8.531 1.00 0.76 H new ATOM 0 HG22 THR A 625 0.078 3.120 -8.548 1.00 0.76 H new ATOM 0 HG23 THR A 625 -1.154 3.735 -9.676 1.00 0.76 H new ATOM 515 N SER A 626 -2.908 0.635 -9.668 1.00 0.37 N ATOM 516 CA SER A 626 -3.338 0.310 -11.022 1.00 0.37 C ATOM 517 C SER A 626 -4.415 -0.771 -11.009 1.00 0.31 C ATOM 518 O SER A 626 -4.950 -1.139 -12.054 1.00 0.31 O ATOM 519 CB SER A 626 -2.146 -0.155 -11.859 1.00 0.43 C ATOM 520 OG SER A 626 -1.135 0.837 -11.900 1.00 0.92 O ATOM 0 H SER A 626 -2.665 -0.173 -9.095 1.00 0.37 H new ATOM 0 HA SER A 626 -3.759 1.211 -11.467 1.00 0.37 H new ATOM 0 HB2 SER A 626 -1.740 -1.076 -11.440 1.00 0.43 H new ATOM 0 HB3 SER A 626 -2.476 -0.385 -12.872 1.00 0.43 H new ATOM 0 HG SER A 626 -0.761 0.960 -11.003 1.00 0.92 H new ATOM 526 N LYS A 627 -4.733 -1.267 -9.815 1.00 0.30 N ATOM 527 CA LYS A 627 -5.751 -2.301 -9.658 1.00 0.31 C ATOM 528 C LYS A 627 -6.387 -2.234 -8.274 1.00 0.32 C ATOM 529 O LYS A 627 -5.769 -1.764 -7.318 1.00 0.47 O ATOM 530 CB LYS A 627 -5.140 -3.687 -9.871 1.00 0.36 C ATOM 531 CG LYS A 627 -4.837 -4.005 -11.323 1.00 0.41 C ATOM 532 CD LYS A 627 -5.662 -5.176 -11.821 1.00 0.86 C ATOM 533 CE LYS A 627 -4.813 -6.135 -12.632 1.00 1.24 C ATOM 534 NZ LYS A 627 -5.268 -6.222 -14.046 1.00 1.87 N ATOM 0 H LYS A 627 -4.299 -0.968 -8.942 1.00 0.30 H new ATOM 0 HA LYS A 627 -6.522 -2.127 -10.408 1.00 0.31 H new ATOM 0 HB2 LYS A 627 -4.219 -3.761 -9.293 1.00 0.36 H new ATOM 0 HB3 LYS A 627 -5.824 -4.440 -9.479 1.00 0.36 H new ATOM 0 HG2 LYS A 627 -5.040 -3.128 -11.938 1.00 0.41 H new ATOM 0 HG3 LYS A 627 -3.777 -4.233 -11.433 1.00 0.41 H new ATOM 0 HD2 LYS A 627 -6.102 -5.702 -10.973 1.00 0.86 H new ATOM 0 HD3 LYS A 627 -6.487 -4.810 -12.432 1.00 0.86 H new ATOM 0 HE2 LYS A 627 -3.773 -5.810 -12.605 1.00 1.24 H new ATOM 0 HE3 LYS A 627 -4.850 -7.125 -12.178 1.00 1.24 H new ATOM 0 HZ1 LYS A 627 -4.661 -6.888 -14.566 1.00 1.87 H new ATOM 0 HZ2 LYS A 627 -6.252 -6.556 -14.074 1.00 1.87 H new ATOM 0 HZ3 LYS A 627 -5.209 -5.283 -14.488 1.00 1.87 H new ATOM 548 N LYS A 628 -7.622 -2.713 -8.173 1.00 0.28 N ATOM 549 CA LYS A 628 -8.340 -2.715 -6.903 1.00 0.29 C ATOM 550 C LYS A 628 -8.033 -3.988 -6.122 1.00 0.28 C ATOM 551 O LYS A 628 -8.591 -5.049 -6.405 1.00 0.45 O ATOM 552 CB LYS A 628 -9.848 -2.600 -7.140 1.00 0.32 C ATOM 553 CG LYS A 628 -10.214 -1.778 -8.366 1.00 1.00 C ATOM 554 CD LYS A 628 -10.749 -0.410 -7.979 1.00 1.24 C ATOM 555 CE LYS A 628 -12.114 -0.151 -8.598 1.00 1.55 C ATOM 556 NZ LYS A 628 -13.142 0.167 -7.570 1.00 2.32 N ATOM 0 H LYS A 628 -8.147 -3.105 -8.955 1.00 0.28 H new ATOM 0 HA LYS A 628 -8.009 -1.855 -6.321 1.00 0.29 H new ATOM 0 HB2 LYS A 628 -10.267 -3.600 -7.246 1.00 0.32 H new ATOM 0 HB3 LYS A 628 -10.312 -2.152 -6.261 1.00 0.32 H new ATOM 0 HG2 LYS A 628 -9.336 -1.660 -9.002 1.00 1.00 H new ATOM 0 HG3 LYS A 628 -10.963 -2.310 -8.952 1.00 1.00 H new ATOM 0 HD2 LYS A 628 -10.821 -0.340 -6.894 1.00 1.24 H new ATOM 0 HD3 LYS A 628 -10.049 0.361 -8.302 1.00 1.24 H new ATOM 0 HE2 LYS A 628 -12.040 0.676 -9.305 1.00 1.55 H new ATOM 0 HE3 LYS A 628 -12.427 -1.028 -9.165 1.00 1.55 H new ATOM 0 HZ1 LYS A 628 -14.090 0.086 -7.990 1.00 2.32 H new ATOM 0 HZ2 LYS A 628 -13.057 -0.500 -6.777 1.00 2.32 H new ATOM 0 HZ3 LYS A 628 -12.998 1.137 -7.224 1.00 2.32 H new ATOM 570 N CYS A 629 -7.133 -3.884 -5.145 1.00 0.18 N ATOM 571 CA CYS A 629 -6.750 -5.038 -4.340 1.00 0.17 C ATOM 572 C CYS A 629 -7.053 -4.823 -2.858 1.00 0.16 C ATOM 573 O CYS A 629 -6.773 -5.690 -2.035 1.00 0.17 O ATOM 574 CB CYS A 629 -5.260 -5.332 -4.526 1.00 0.20 C ATOM 575 SG CYS A 629 -4.210 -3.860 -4.503 1.00 0.33 S ATOM 0 H CYS A 629 -6.659 -3.016 -4.894 1.00 0.18 H new ATOM 0 HA CYS A 629 -7.340 -5.889 -4.681 1.00 0.17 H new ATOM 0 HB2 CYS A 629 -4.933 -6.011 -3.738 1.00 0.20 H new ATOM 0 HB3 CYS A 629 -5.118 -5.852 -5.474 1.00 0.20 H new ATOM 0 HG CYS A 629 -3.420 -3.874 -5.535 1.00 0.33 H new ATOM 581 N ILE A 630 -7.627 -3.671 -2.519 1.00 0.16 N ATOM 582 CA ILE A 630 -7.956 -3.371 -1.127 1.00 0.18 C ATOM 583 C ILE A 630 -9.440 -3.581 -0.849 1.00 0.18 C ATOM 584 O ILE A 630 -10.291 -2.896 -1.414 1.00 0.21 O ATOM 585 CB ILE A 630 -7.568 -1.928 -0.749 1.00 0.21 C ATOM 586 CG1 ILE A 630 -6.047 -1.775 -0.739 1.00 0.22 C ATOM 587 CG2 ILE A 630 -8.148 -1.558 0.609 1.00 0.29 C ATOM 588 CD1 ILE A 630 -5.574 -0.401 -1.163 1.00 0.31 C ATOM 0 H ILE A 630 -7.872 -2.936 -3.182 1.00 0.16 H new ATOM 0 HA ILE A 630 -7.377 -4.063 -0.515 1.00 0.18 H new ATOM 0 HB ILE A 630 -7.982 -1.250 -1.496 1.00 0.21 H new ATOM 0 HG12 ILE A 630 -5.676 -1.985 0.264 1.00 0.22 H new ATOM 0 HG13 ILE A 630 -5.611 -2.521 -1.403 1.00 0.22 H new ATOM 0 HG21 ILE A 630 -7.864 -0.536 0.860 1.00 0.29 H new ATOM 0 HG22 ILE A 630 -9.235 -1.634 0.574 1.00 0.29 H new ATOM 0 HG23 ILE A 630 -7.761 -2.238 1.368 1.00 0.29 H new ATOM 0 HD11 ILE A 630 -4.485 -0.365 -1.132 1.00 0.31 H new ATOM 0 HD12 ILE A 630 -5.915 -0.196 -2.178 1.00 0.31 H new ATOM 0 HD13 ILE A 630 -5.981 0.349 -0.485 1.00 0.31 H new ATOM 600 N GLN A 631 -9.740 -4.530 0.031 1.00 0.23 N ATOM 601 CA GLN A 631 -11.120 -4.835 0.392 1.00 0.27 C ATOM 602 C GLN A 631 -11.496 -4.186 1.721 1.00 0.29 C ATOM 603 O GLN A 631 -10.912 -4.496 2.760 1.00 0.34 O ATOM 604 CB GLN A 631 -11.314 -6.350 0.479 1.00 0.35 C ATOM 605 CG GLN A 631 -12.715 -6.764 0.903 1.00 0.41 C ATOM 606 CD GLN A 631 -12.916 -8.265 0.863 1.00 0.60 C ATOM 607 OE1 GLN A 631 -12.242 -8.974 0.117 1.00 1.15 O ATOM 608 NE2 GLN A 631 -13.847 -8.759 1.669 1.00 0.77 N ATOM 0 H GLN A 631 -9.044 -5.103 0.509 1.00 0.23 H new ATOM 0 HA GLN A 631 -11.772 -4.430 -0.382 1.00 0.27 H new ATOM 0 HB2 GLN A 631 -11.092 -6.792 -0.492 1.00 0.35 H new ATOM 0 HB3 GLN A 631 -10.594 -6.760 1.187 1.00 0.35 H new ATOM 0 HG2 GLN A 631 -12.907 -6.402 1.913 1.00 0.41 H new ATOM 0 HG3 GLN A 631 -13.445 -6.286 0.249 1.00 0.41 H new ATOM 0 HE21 GLN A 631 -14.383 -8.135 2.272 1.00 0.77 H new ATOM 0 HE22 GLN A 631 -14.026 -9.763 1.686 1.00 0.77 H new ATOM 617 N SER A 632 -12.480 -3.293 1.683 1.00 0.28 N ATOM 618 CA SER A 632 -12.936 -2.613 2.888 1.00 0.32 C ATOM 619 C SER A 632 -13.892 -3.505 3.672 1.00 0.56 C ATOM 620 O SER A 632 -14.311 -4.557 3.185 1.00 0.83 O ATOM 621 CB SER A 632 -13.626 -1.296 2.529 1.00 0.70 C ATOM 622 OG SER A 632 -14.873 -1.526 1.898 1.00 1.80 O ATOM 0 H SER A 632 -12.975 -3.025 0.833 1.00 0.28 H new ATOM 0 HA SER A 632 -12.067 -2.396 3.510 1.00 0.32 H new ATOM 0 HB2 SER A 632 -13.776 -0.703 3.431 1.00 0.70 H new ATOM 0 HB3 SER A 632 -12.983 -0.714 1.869 1.00 0.70 H new ATOM 0 HG SER A 632 -15.293 -0.668 1.681 1.00 1.80 H new ATOM 677 N LYS A 636 -15.730 -4.500 -0.289 1.00 0.37 N ATOM 678 CA LYS A 636 -15.577 -3.767 -1.542 1.00 0.37 C ATOM 679 C LYS A 636 -14.107 -3.517 -1.855 1.00 0.31 C ATOM 680 O LYS A 636 -13.355 -3.047 -1.004 1.00 0.36 O ATOM 681 CB LYS A 636 -16.324 -2.435 -1.462 1.00 0.51 C ATOM 682 CG LYS A 636 -17.645 -2.429 -2.213 1.00 0.90 C ATOM 683 CD LYS A 636 -17.452 -2.053 -3.673 1.00 0.81 C ATOM 684 CE LYS A 636 -17.593 -3.263 -4.583 1.00 1.13 C ATOM 685 NZ LYS A 636 -18.899 -3.274 -5.296 1.00 1.60 N ATOM 0 HA LYS A 636 -15.999 -4.373 -2.344 1.00 0.37 H new ATOM 0 HB2 LYS A 636 -16.510 -2.195 -0.415 1.00 0.51 H new ATOM 0 HB3 LYS A 636 -15.686 -1.646 -1.861 1.00 0.51 H new ATOM 0 HG2 LYS A 636 -18.107 -3.414 -2.148 1.00 0.90 H new ATOM 0 HG3 LYS A 636 -18.330 -1.724 -1.742 1.00 0.90 H new ATOM 0 HD2 LYS A 636 -18.185 -1.297 -3.955 1.00 0.81 H new ATOM 0 HD3 LYS A 636 -16.466 -1.608 -3.808 1.00 0.81 H new ATOM 0 HE2 LYS A 636 -16.782 -3.265 -5.311 1.00 1.13 H new ATOM 0 HE3 LYS A 636 -17.494 -4.174 -3.993 1.00 1.13 H new ATOM 0 HZ1 LYS A 636 -18.955 -4.115 -5.906 1.00 1.60 H new ATOM 0 HZ2 LYS A 636 -19.673 -3.298 -4.602 1.00 1.60 H new ATOM 0 HZ3 LYS A 636 -18.983 -2.417 -5.880 1.00 1.60 H new ATOM 699 N TRP A 637 -13.700 -3.833 -3.080 1.00 0.25 N ATOM 700 CA TRP A 637 -12.314 -3.638 -3.490 1.00 0.21 C ATOM 701 C TRP A 637 -12.137 -2.289 -4.186 1.00 0.22 C ATOM 702 O TRP A 637 -12.913 -1.931 -5.072 1.00 0.26 O ATOM 703 CB TRP A 637 -11.865 -4.771 -4.423 1.00 0.22 C ATOM 704 CG TRP A 637 -11.999 -6.150 -3.832 1.00 0.27 C ATOM 705 CD1 TRP A 637 -12.639 -6.500 -2.675 1.00 0.38 C ATOM 706 CD2 TRP A 637 -11.476 -7.368 -4.379 1.00 0.33 C ATOM 707 NE1 TRP A 637 -12.546 -7.855 -2.472 1.00 0.42 N ATOM 708 CE2 TRP A 637 -11.837 -8.410 -3.504 1.00 0.39 C ATOM 709 CE3 TRP A 637 -10.738 -7.678 -5.525 1.00 0.46 C ATOM 710 CZ2 TRP A 637 -11.485 -9.737 -3.740 1.00 0.49 C ATOM 711 CZ3 TRP A 637 -10.390 -8.995 -5.758 1.00 0.60 C ATOM 712 CH2 TRP A 637 -10.764 -10.011 -4.869 1.00 0.60 C ATOM 0 H TRP A 637 -14.306 -4.223 -3.802 1.00 0.25 H new ATOM 0 HA TRP A 637 -11.693 -3.650 -2.594 1.00 0.21 H new ATOM 0 HB2 TRP A 637 -12.450 -4.723 -5.341 1.00 0.22 H new ATOM 0 HB3 TRP A 637 -10.824 -4.607 -4.700 1.00 0.22 H new ATOM 0 HD1 TRP A 637 -13.145 -5.810 -2.016 1.00 0.38 H new ATOM 0 HE1 TRP A 637 -12.941 -8.365 -1.682 1.00 0.42 H new ATOM 0 HE3 TRP A 637 -10.445 -6.902 -6.216 1.00 0.46 H new ATOM 0 HZ2 TRP A 637 -11.771 -10.522 -3.055 1.00 0.49 H new ATOM 0 HZ3 TRP A 637 -9.820 -9.245 -6.641 1.00 0.60 H new ATOM 0 HH2 TRP A 637 -10.477 -11.031 -5.080 1.00 0.60 H new ATOM 723 N PHE A 638 -11.102 -1.552 -3.785 1.00 0.24 N ATOM 724 CA PHE A 638 -10.807 -0.247 -4.372 1.00 0.30 C ATOM 725 C PHE A 638 -9.331 -0.144 -4.732 1.00 0.27 C ATOM 726 O PHE A 638 -8.543 -1.039 -4.430 1.00 0.29 O ATOM 727 CB PHE A 638 -11.142 0.893 -3.400 1.00 0.41 C ATOM 728 CG PHE A 638 -12.499 0.814 -2.761 1.00 0.29 C ATOM 729 CD1 PHE A 638 -13.614 0.526 -3.532 1.00 0.76 C ATOM 730 CD2 PHE A 638 -12.663 1.007 -1.398 1.00 0.62 C ATOM 731 CE1 PHE A 638 -14.866 0.433 -2.959 1.00 0.87 C ATOM 732 CE2 PHE A 638 -13.914 0.917 -0.819 1.00 0.69 C ATOM 733 CZ PHE A 638 -15.000 0.709 -1.555 1.00 0.59 C ATOM 0 H PHE A 638 -10.452 -1.839 -3.053 1.00 0.24 H new ATOM 0 HA PHE A 638 -11.422 -0.154 -5.267 1.00 0.30 H new ATOM 0 HB2 PHE A 638 -10.388 0.910 -2.613 1.00 0.41 H new ATOM 0 HB3 PHE A 638 -11.065 1.839 -3.936 1.00 0.41 H new ATOM 0 HD1 PHE A 638 -13.502 0.372 -4.595 1.00 0.76 H new ATOM 0 HD2 PHE A 638 -11.804 1.230 -0.783 1.00 0.62 H new ATOM 0 HE1 PHE A 638 -15.726 0.159 -3.552 1.00 0.87 H new ATOM 0 HE2 PHE A 638 -14.011 1.018 0.252 1.00 0.69 H new ATOM 0 HZ PHE A 638 -15.979 0.747 -1.101 1.00 0.59 H new ATOM 743 N THR A 639 -8.959 0.972 -5.348 1.00 0.25 N ATOM 744 CA THR A 639 -7.573 1.215 -5.717 1.00 0.25 C ATOM 745 C THR A 639 -6.908 2.087 -4.658 1.00 0.22 C ATOM 746 O THR A 639 -7.595 2.803 -3.932 1.00 0.21 O ATOM 747 CB THR A 639 -7.463 1.910 -7.089 1.00 0.30 C ATOM 748 OG1 THR A 639 -8.560 2.813 -7.273 1.00 0.37 O ATOM 749 CG2 THR A 639 -7.447 0.888 -8.215 1.00 0.39 C ATOM 0 H THR A 639 -9.601 1.723 -5.602 1.00 0.25 H new ATOM 0 HA THR A 639 -7.071 0.250 -5.783 1.00 0.25 H new ATOM 0 HB THR A 639 -6.527 2.468 -7.113 1.00 0.30 H new ATOM 0 HG1 THR A 639 -8.481 3.251 -8.146 1.00 0.37 H new ATOM 0 HG21 THR A 639 -7.369 1.403 -9.173 1.00 0.39 H new ATOM 0 HG22 THR A 639 -6.593 0.222 -8.090 1.00 0.39 H new ATOM 0 HG23 THR A 639 -8.368 0.305 -8.191 1.00 0.39 H new ATOM 757 N PRO A 640 -5.569 2.039 -4.539 1.00 0.23 N ATOM 758 CA PRO A 640 -4.838 2.838 -3.545 1.00 0.23 C ATOM 759 C PRO A 640 -5.262 4.306 -3.541 1.00 0.21 C ATOM 760 O PRO A 640 -4.981 5.040 -2.594 1.00 0.22 O ATOM 761 CB PRO A 640 -3.381 2.691 -3.985 1.00 0.27 C ATOM 762 CG PRO A 640 -3.335 1.359 -4.651 1.00 0.30 C ATOM 763 CD PRO A 640 -4.660 1.204 -5.348 1.00 0.27 C ATOM 0 HA PRO A 640 -5.027 2.498 -2.527 1.00 0.23 H new ATOM 0 HB2 PRO A 640 -3.089 3.488 -4.668 1.00 0.27 H new ATOM 0 HB3 PRO A 640 -2.701 2.735 -3.134 1.00 0.27 H new ATOM 0 HG2 PRO A 640 -2.510 1.305 -5.362 1.00 0.30 H new ATOM 0 HG3 PRO A 640 -3.180 0.563 -3.923 1.00 0.30 H new ATOM 0 HD2 PRO A 640 -4.613 1.546 -6.382 1.00 0.27 H new ATOM 0 HD3 PRO A 640 -4.983 0.163 -5.371 1.00 0.27 H new ATOM 771 N ARG A 641 -5.951 4.726 -4.599 1.00 0.20 N ATOM 772 CA ARG A 641 -6.424 6.101 -4.705 1.00 0.21 C ATOM 773 C ARG A 641 -7.820 6.239 -4.097 1.00 0.19 C ATOM 774 O ARG A 641 -8.064 7.116 -3.267 1.00 0.23 O ATOM 775 CB ARG A 641 -6.437 6.544 -6.172 1.00 0.25 C ATOM 776 CG ARG A 641 -7.390 7.694 -6.463 1.00 0.27 C ATOM 777 CD ARG A 641 -6.701 8.806 -7.240 1.00 0.62 C ATOM 778 NE ARG A 641 -6.012 8.300 -8.424 1.00 1.36 N ATOM 779 CZ ARG A 641 -6.491 8.409 -9.659 1.00 1.81 C ATOM 780 NH1 ARG A 641 -7.653 9.016 -9.873 1.00 2.09 N ATOM 781 NH2 ARG A 641 -5.808 7.914 -10.683 1.00 2.60 N ATOM 0 H ARG A 641 -6.193 4.134 -5.393 1.00 0.20 H new ATOM 0 HA ARG A 641 -5.742 6.745 -4.149 1.00 0.21 H new ATOM 0 HB2 ARG A 641 -5.428 6.840 -6.460 1.00 0.25 H new ATOM 0 HB3 ARG A 641 -6.710 5.693 -6.795 1.00 0.25 H new ATOM 0 HG2 ARG A 641 -8.243 7.326 -7.032 1.00 0.27 H new ATOM 0 HG3 ARG A 641 -7.780 8.091 -5.526 1.00 0.27 H new ATOM 0 HD2 ARG A 641 -7.439 9.550 -7.540 1.00 0.62 H new ATOM 0 HD3 ARG A 641 -5.985 9.311 -6.592 1.00 0.62 H new ATOM 0 HE ARG A 641 -5.112 7.837 -8.296 1.00 1.36 H new ATOM 0 HH11 ARG A 641 -8.180 9.400 -9.089 1.00 2.09 H new ATOM 0 HH12 ARG A 641 -8.018 9.098 -10.822 1.00 2.09 H new ATOM 0 HH21 ARG A 641 -4.914 7.449 -10.523 1.00 2.60 H new ATOM 0 HH22 ARG A 641 -6.177 7.998 -11.630 1.00 2.60 H new ATOM 795 N GLU A 642 -8.734 5.363 -4.513 1.00 0.20 N ATOM 796 CA GLU A 642 -10.102 5.391 -4.006 1.00 0.23 C ATOM 797 C GLU A 642 -10.146 5.000 -2.533 1.00 0.23 C ATOM 798 O GLU A 642 -11.057 5.392 -1.803 1.00 0.26 O ATOM 799 CB GLU A 642 -10.996 4.456 -4.824 1.00 0.26 C ATOM 800 CG GLU A 642 -12.074 5.183 -5.612 1.00 0.63 C ATOM 801 CD GLU A 642 -12.339 4.551 -6.965 1.00 0.89 C ATOM 802 OE1 GLU A 642 -11.408 3.937 -7.527 1.00 1.33 O ATOM 803 OE2 GLU A 642 -13.478 4.669 -7.463 1.00 1.60 O ATOM 0 H GLU A 642 -8.551 4.629 -5.197 1.00 0.20 H new ATOM 0 HA GLU A 642 -10.475 6.411 -4.103 1.00 0.23 H new ATOM 0 HB2 GLU A 642 -10.375 3.885 -5.514 1.00 0.26 H new ATOM 0 HB3 GLU A 642 -11.469 3.739 -4.153 1.00 0.26 H new ATOM 0 HG2 GLU A 642 -12.997 5.192 -5.033 1.00 0.63 H new ATOM 0 HG3 GLU A 642 -11.776 6.222 -5.753 1.00 0.63 H new ATOM 810 N PHE A 643 -9.149 4.235 -2.098 1.00 0.22 N ATOM 811 CA PHE A 643 -9.068 3.804 -0.708 1.00 0.23 C ATOM 812 C PHE A 643 -8.623 4.965 0.168 1.00 0.23 C ATOM 813 O PHE A 643 -9.122 5.147 1.278 1.00 0.25 O ATOM 814 CB PHE A 643 -8.100 2.628 -0.559 1.00 0.24 C ATOM 815 CG PHE A 643 -8.137 1.986 0.801 1.00 0.21 C ATOM 816 CD1 PHE A 643 -9.344 1.628 1.383 1.00 0.26 C ATOM 817 CD2 PHE A 643 -6.964 1.742 1.498 1.00 0.27 C ATOM 818 CE1 PHE A 643 -9.379 1.039 2.633 1.00 0.35 C ATOM 819 CE2 PHE A 643 -6.994 1.154 2.749 1.00 0.33 C ATOM 820 CZ PHE A 643 -8.203 0.801 3.317 1.00 0.37 C ATOM 0 H PHE A 643 -8.387 3.902 -2.688 1.00 0.22 H new ATOM 0 HA PHE A 643 -10.057 3.474 -0.389 1.00 0.23 H new ATOM 0 HB2 PHE A 643 -8.336 1.877 -1.313 1.00 0.24 H new ATOM 0 HB3 PHE A 643 -7.086 2.975 -0.760 1.00 0.24 H new ATOM 0 HD1 PHE A 643 -10.267 1.812 0.853 1.00 0.26 H new ATOM 0 HD2 PHE A 643 -6.016 2.014 1.059 1.00 0.27 H new ATOM 0 HE1 PHE A 643 -10.326 0.765 3.075 1.00 0.35 H new ATOM 0 HE2 PHE A 643 -6.073 0.971 3.282 1.00 0.33 H new ATOM 0 HZ PHE A 643 -8.228 0.340 4.293 1.00 0.37 H new ATOM 830 N GLU A 644 -7.694 5.759 -0.353 1.00 0.22 N ATOM 831 CA GLU A 644 -7.192 6.921 0.364 1.00 0.24 C ATOM 832 C GLU A 644 -8.318 7.929 0.560 1.00 0.26 C ATOM 833 O GLU A 644 -8.373 8.637 1.565 1.00 0.29 O ATOM 834 CB GLU A 644 -6.029 7.558 -0.406 1.00 0.25 C ATOM 835 CG GLU A 644 -5.835 9.039 -0.120 1.00 0.33 C ATOM 836 CD GLU A 644 -6.187 9.912 -1.308 1.00 0.65 C ATOM 837 OE1 GLU A 644 -7.161 9.584 -2.019 1.00 1.01 O ATOM 838 OE2 GLU A 644 -5.489 10.923 -1.529 1.00 1.39 O ATOM 0 H GLU A 644 -7.274 5.617 -1.271 1.00 0.22 H new ATOM 0 HA GLU A 644 -6.825 6.607 1.341 1.00 0.24 H new ATOM 0 HB2 GLU A 644 -5.109 7.027 -0.159 1.00 0.25 H new ATOM 0 HB3 GLU A 644 -6.197 7.424 -1.475 1.00 0.25 H new ATOM 0 HG2 GLU A 644 -6.452 9.325 0.732 1.00 0.33 H new ATOM 0 HG3 GLU A 644 -4.798 9.218 0.163 1.00 0.33 H new ATOM 845 N ILE A 645 -9.217 7.977 -0.417 1.00 0.27 N ATOM 846 CA ILE A 645 -10.355 8.883 -0.377 1.00 0.31 C ATOM 847 C ILE A 645 -11.297 8.543 0.780 1.00 0.31 C ATOM 848 O ILE A 645 -11.830 9.436 1.440 1.00 0.35 O ATOM 849 CB ILE A 645 -11.134 8.839 -1.710 1.00 0.36 C ATOM 850 CG1 ILE A 645 -10.346 9.559 -2.806 1.00 0.44 C ATOM 851 CG2 ILE A 645 -12.517 9.456 -1.554 1.00 0.43 C ATOM 852 CD1 ILE A 645 -10.794 9.205 -4.207 1.00 0.51 C ATOM 0 H ILE A 645 -9.177 7.393 -1.252 1.00 0.27 H new ATOM 0 HA ILE A 645 -9.966 9.889 -0.222 1.00 0.31 H new ATOM 0 HB ILE A 645 -11.262 7.795 -1.997 1.00 0.36 H new ATOM 0 HG12 ILE A 645 -10.443 10.635 -2.664 1.00 0.44 H new ATOM 0 HG13 ILE A 645 -9.288 9.317 -2.700 1.00 0.44 H new ATOM 0 HG21 ILE A 645 -13.044 9.412 -2.507 1.00 0.43 H new ATOM 0 HG22 ILE A 645 -13.080 8.903 -0.802 1.00 0.43 H new ATOM 0 HG23 ILE A 645 -12.418 10.495 -1.241 1.00 0.43 H new ATOM 0 HD11 ILE A 645 -10.191 9.753 -4.931 1.00 0.51 H new ATOM 0 HD12 ILE A 645 -10.671 8.134 -4.369 1.00 0.51 H new ATOM 0 HD13 ILE A 645 -11.843 9.473 -4.332 1.00 0.51 H new ATOM 864 N GLU A 646 -11.501 7.250 1.018 1.00 0.30 N ATOM 865 CA GLU A 646 -12.381 6.799 2.093 1.00 0.33 C ATOM 866 C GLU A 646 -11.655 6.794 3.434 1.00 0.27 C ATOM 867 O GLU A 646 -12.273 6.966 4.484 1.00 0.29 O ATOM 868 CB GLU A 646 -12.918 5.400 1.784 1.00 0.41 C ATOM 869 CG GLU A 646 -14.428 5.351 1.610 1.00 0.70 C ATOM 870 CD GLU A 646 -14.905 6.178 0.432 1.00 1.38 C ATOM 871 OE1 GLU A 646 -14.872 5.664 -0.706 1.00 1.99 O ATOM 872 OE2 GLU A 646 -15.312 7.339 0.647 1.00 1.90 O ATOM 0 H GLU A 646 -11.070 6.497 0.482 1.00 0.30 H new ATOM 0 HA GLU A 646 -13.215 7.497 2.160 1.00 0.33 H new ATOM 0 HB2 GLU A 646 -12.444 5.031 0.875 1.00 0.41 H new ATOM 0 HB3 GLU A 646 -12.632 4.724 2.590 1.00 0.41 H new ATOM 0 HG2 GLU A 646 -14.741 4.316 1.473 1.00 0.70 H new ATOM 0 HG3 GLU A 646 -14.907 5.711 2.520 1.00 0.70 H new ATOM 879 N GLY A 647 -10.342 6.593 3.393 1.00 0.23 N ATOM 880 CA GLY A 647 -9.554 6.568 4.611 1.00 0.25 C ATOM 881 C GLY A 647 -9.375 7.945 5.217 1.00 0.28 C ATOM 882 O GLY A 647 -9.711 8.168 6.380 1.00 0.65 O ATOM 0 H GLY A 647 -9.809 6.447 2.536 1.00 0.23 H new ATOM 0 HA2 GLY A 647 -10.036 5.915 5.338 1.00 0.25 H new ATOM 0 HA3 GLY A 647 -8.575 6.139 4.397 1.00 0.25 H new ATOM 886 N ASP A 648 -8.841 8.869 4.426 1.00 0.46 N ATOM 887 CA ASP A 648 -8.614 10.233 4.888 1.00 0.53 C ATOM 888 C ASP A 648 -9.736 11.159 4.433 1.00 0.61 C ATOM 889 O ASP A 648 -10.493 11.680 5.253 1.00 1.12 O ATOM 890 CB ASP A 648 -7.269 10.752 4.373 1.00 0.61 C ATOM 891 CG ASP A 648 -6.223 10.827 5.467 1.00 1.01 C ATOM 892 OD1 ASP A 648 -6.571 11.235 6.596 1.00 1.46 O ATOM 893 OD2 ASP A 648 -5.054 10.478 5.197 1.00 1.40 O ATOM 0 H ASP A 648 -8.557 8.698 3.461 1.00 0.46 H new ATOM 0 HA ASP A 648 -8.599 10.220 5.978 1.00 0.53 H new ATOM 0 HB2 ASP A 648 -6.912 10.100 3.576 1.00 0.61 H new ATOM 0 HB3 ASP A 648 -7.407 11.741 3.937 1.00 0.61 H new ATOM 898 N ARG A 649 -9.838 11.358 3.119 1.00 0.57 N ATOM 899 CA ARG A 649 -10.868 12.223 2.550 1.00 0.66 C ATOM 900 C ARG A 649 -10.766 12.261 1.028 1.00 0.72 C ATOM 901 O ARG A 649 -11.780 12.277 0.328 1.00 0.89 O ATOM 902 CB ARG A 649 -10.747 13.641 3.117 1.00 0.76 C ATOM 903 CG ARG A 649 -11.761 14.618 2.545 1.00 0.97 C ATOM 904 CD ARG A 649 -13.182 14.231 2.923 1.00 1.41 C ATOM 905 NE ARG A 649 -14.146 15.263 2.551 1.00 1.88 N ATOM 906 CZ ARG A 649 -15.403 15.007 2.200 1.00 2.63 C ATOM 907 NH1 ARG A 649 -15.848 13.757 2.175 1.00 2.98 N ATOM 908 NH2 ARG A 649 -16.217 16.001 1.874 1.00 3.19 N ATOM 0 H ARG A 649 -9.219 10.931 2.430 1.00 0.57 H new ATOM 0 HA ARG A 649 -11.841 11.813 2.822 1.00 0.66 H new ATOM 0 HB2 ARG A 649 -10.866 13.601 4.200 1.00 0.76 H new ATOM 0 HB3 ARG A 649 -9.743 14.017 2.920 1.00 0.76 H new ATOM 0 HG2 ARG A 649 -11.547 15.622 2.911 1.00 0.97 H new ATOM 0 HG3 ARG A 649 -11.667 14.647 1.459 1.00 0.97 H new ATOM 0 HD2 ARG A 649 -13.446 13.294 2.432 1.00 1.41 H new ATOM 0 HD3 ARG A 649 -13.236 14.054 3.997 1.00 1.41 H new ATOM 0 HE ARG A 649 -13.838 16.235 2.561 1.00 1.88 H new ATOM 0 HH11 ARG A 649 -15.225 12.989 2.426 1.00 2.98 H new ATOM 0 HH12 ARG A 649 -16.813 13.564 1.905 1.00 2.98 H new ATOM 0 HH21 ARG A 649 -15.880 16.963 1.892 1.00 3.19 H new ATOM 0 HH22 ARG A 649 -17.181 15.804 1.605 1.00 3.19 H new ATOM 922 N GLY A 650 -9.537 12.279 0.524 1.00 0.76 N ATOM 923 CA GLY A 650 -9.323 12.318 -0.910 1.00 0.89 C ATOM 924 C GLY A 650 -8.475 13.499 -1.337 1.00 0.90 C ATOM 925 O GLY A 650 -7.803 13.449 -2.367 1.00 1.02 O ATOM 0 H GLY A 650 -8.684 12.267 1.084 1.00 0.76 H new ATOM 0 HA2 GLY A 650 -8.840 11.394 -1.227 1.00 0.89 H new ATOM 0 HA3 GLY A 650 -10.287 12.364 -1.417 1.00 0.89 H new ATOM 929 N ALA A 651 -8.505 14.563 -0.541 1.00 0.85 N ATOM 930 CA ALA A 651 -7.730 15.762 -0.838 1.00 0.93 C ATOM 931 C ALA A 651 -6.251 15.540 -0.545 1.00 0.91 C ATOM 932 O ALA A 651 -5.399 16.321 -0.969 1.00 1.04 O ATOM 933 CB ALA A 651 -8.257 16.945 -0.038 1.00 0.99 C ATOM 0 H ALA A 651 -9.058 14.619 0.314 1.00 0.85 H new ATOM 0 HA ALA A 651 -7.837 15.982 -1.900 1.00 0.93 H new ATOM 0 HB1 ALA A 651 -7.668 17.833 -0.270 1.00 0.99 H new ATOM 0 HB2 ALA A 651 -9.301 17.124 -0.297 1.00 0.99 H new ATOM 0 HB3 ALA A 651 -8.180 16.727 1.027 1.00 0.99 H new ATOM 939 N SER A 652 -5.953 14.469 0.185 1.00 0.82 N ATOM 940 CA SER A 652 -4.577 14.142 0.540 1.00 0.89 C ATOM 941 C SER A 652 -3.723 13.939 -0.708 1.00 1.07 C ATOM 942 O SER A 652 -2.551 14.314 -0.730 1.00 1.98 O ATOM 943 CB SER A 652 -4.538 12.879 1.405 1.00 0.80 C ATOM 944 OG SER A 652 -5.843 12.384 1.648 1.00 1.30 O ATOM 0 H SER A 652 -6.647 13.813 0.542 1.00 0.82 H new ATOM 0 HA SER A 652 -4.168 14.979 1.106 1.00 0.89 H new ATOM 0 HB2 SER A 652 -3.942 12.113 0.908 1.00 0.80 H new ATOM 0 HB3 SER A 652 -4.047 13.099 2.353 1.00 0.80 H new ATOM 0 HG SER A 652 -5.789 11.577 2.201 1.00 1.30 H new ATOM 950 N LYS A 653 -4.325 13.341 -1.736 1.00 0.61 N ATOM 951 CA LYS A 653 -3.637 13.072 -3.000 1.00 0.69 C ATOM 952 C LYS A 653 -2.597 11.965 -2.830 1.00 0.53 C ATOM 953 O LYS A 653 -2.779 10.855 -3.333 1.00 0.60 O ATOM 954 CB LYS A 653 -2.974 14.342 -3.543 1.00 0.94 C ATOM 955 CG LYS A 653 -3.114 14.502 -5.048 1.00 1.24 C ATOM 956 CD LYS A 653 -1.899 13.961 -5.783 1.00 1.67 C ATOM 957 CE LYS A 653 -1.138 15.071 -6.487 1.00 2.12 C ATOM 958 NZ LYS A 653 0.112 15.436 -5.763 1.00 2.50 N ATOM 0 H LYS A 653 -5.297 13.031 -1.718 1.00 0.61 H new ATOM 0 HA LYS A 653 -4.384 12.737 -3.720 1.00 0.69 H new ATOM 0 HB2 LYS A 653 -3.412 15.210 -3.051 1.00 0.94 H new ATOM 0 HB3 LYS A 653 -1.915 14.329 -3.284 1.00 0.94 H new ATOM 0 HG2 LYS A 653 -4.008 13.980 -5.388 1.00 1.24 H new ATOM 0 HG3 LYS A 653 -3.248 15.556 -5.292 1.00 1.24 H new ATOM 0 HD2 LYS A 653 -1.239 13.457 -5.077 1.00 1.67 H new ATOM 0 HD3 LYS A 653 -2.215 13.215 -6.512 1.00 1.67 H new ATOM 0 HE2 LYS A 653 -0.891 14.755 -7.501 1.00 2.12 H new ATOM 0 HE3 LYS A 653 -1.777 15.950 -6.574 1.00 2.12 H new ATOM 0 HZ1 LYS A 653 0.601 16.197 -6.277 1.00 2.50 H new ATOM 0 HZ2 LYS A 653 -0.125 15.762 -4.804 1.00 2.50 H new ATOM 0 HZ3 LYS A 653 0.733 14.604 -5.702 1.00 2.50 H new ATOM 972 N ASN A 654 -1.514 12.270 -2.120 1.00 0.43 N ATOM 973 CA ASN A 654 -0.451 11.296 -1.884 1.00 0.36 C ATOM 974 C ASN A 654 -1.003 10.037 -1.224 1.00 0.31 C ATOM 975 O ASN A 654 -1.158 9.979 -0.004 1.00 0.36 O ATOM 976 CB ASN A 654 0.644 11.904 -1.006 1.00 0.46 C ATOM 977 CG ASN A 654 1.526 12.875 -1.767 1.00 0.85 C ATOM 978 OD1 ASN A 654 1.935 12.607 -2.896 1.00 1.63 O ATOM 979 ND2 ASN A 654 1.826 14.011 -1.147 1.00 1.50 N ATOM 0 H ASN A 654 -1.349 13.184 -1.698 1.00 0.43 H new ATOM 0 HA ASN A 654 -0.024 11.024 -2.849 1.00 0.36 H new ATOM 0 HB2 ASN A 654 0.185 12.420 -0.163 1.00 0.46 H new ATOM 0 HB3 ASN A 654 1.260 11.105 -0.594 1.00 0.46 H new ATOM 0 HD21 ASN A 654 2.418 14.703 -1.608 1.00 1.50 H new ATOM 0 HD22 ASN A 654 1.465 14.192 -0.210 1.00 1.50 H new ATOM 986 N TRP A 655 -1.300 9.030 -2.040 1.00 0.29 N ATOM 987 CA TRP A 655 -1.836 7.768 -1.541 1.00 0.30 C ATOM 988 C TRP A 655 -0.738 6.920 -0.908 1.00 0.29 C ATOM 989 O TRP A 655 -1.014 6.034 -0.099 1.00 0.32 O ATOM 990 CB TRP A 655 -2.504 6.992 -2.679 1.00 0.33 C ATOM 991 CG TRP A 655 -1.644 6.876 -3.901 1.00 0.34 C ATOM 992 CD1 TRP A 655 -1.627 7.722 -4.973 1.00 0.36 C ATOM 993 CD2 TRP A 655 -0.677 5.857 -4.177 1.00 0.37 C ATOM 994 NE1 TRP A 655 -0.704 7.293 -5.896 1.00 0.39 N ATOM 995 CE2 TRP A 655 -0.110 6.149 -5.432 1.00 0.40 C ATOM 996 CE3 TRP A 655 -0.235 4.725 -3.486 1.00 0.40 C ATOM 997 CZ2 TRP A 655 0.878 5.353 -6.007 1.00 0.46 C ATOM 998 CZ3 TRP A 655 0.745 3.935 -4.058 1.00 0.46 C ATOM 999 CH2 TRP A 655 1.292 4.253 -5.308 1.00 0.49 C ATOM 0 H TRP A 655 -1.178 9.064 -3.052 1.00 0.29 H new ATOM 0 HA TRP A 655 -2.579 7.994 -0.776 1.00 0.30 H new ATOM 0 HB2 TRP A 655 -2.760 5.993 -2.327 1.00 0.33 H new ATOM 0 HB3 TRP A 655 -3.439 7.485 -2.946 1.00 0.33 H new ATOM 0 HD1 TRP A 655 -2.248 8.599 -5.080 1.00 0.36 H new ATOM 0 HE1 TRP A 655 -0.495 7.752 -6.783 1.00 0.39 H new ATOM 0 HE3 TRP A 655 -0.652 4.472 -2.522 1.00 0.40 H new ATOM 0 HZ2 TRP A 655 1.302 5.596 -6.970 1.00 0.46 H new ATOM 0 HZ3 TRP A 655 1.095 3.059 -3.533 1.00 0.46 H new ATOM 0 HH2 TRP A 655 2.056 3.616 -5.728 1.00 0.49 H new ATOM 1010 N LYS A 656 0.507 7.195 -1.286 1.00 0.28 N ATOM 1011 CA LYS A 656 1.647 6.453 -0.757 1.00 0.31 C ATOM 1012 C LYS A 656 2.002 6.923 0.650 1.00 0.25 C ATOM 1013 O LYS A 656 2.711 6.237 1.381 1.00 0.26 O ATOM 1014 CB LYS A 656 2.864 6.610 -1.676 1.00 0.43 C ATOM 1015 CG LYS A 656 2.510 6.939 -3.118 1.00 0.42 C ATOM 1016 CD LYS A 656 3.160 8.237 -3.571 1.00 0.81 C ATOM 1017 CE LYS A 656 3.550 8.183 -5.039 1.00 0.81 C ATOM 1018 NZ LYS A 656 2.437 8.621 -5.926 1.00 1.34 N ATOM 0 H LYS A 656 0.752 7.925 -1.955 1.00 0.28 H new ATOM 0 HA LYS A 656 1.366 5.401 -0.712 1.00 0.31 H new ATOM 0 HB2 LYS A 656 3.506 7.398 -1.281 1.00 0.43 H new ATOM 0 HB3 LYS A 656 3.443 5.687 -1.656 1.00 0.43 H new ATOM 0 HG2 LYS A 656 2.831 6.124 -3.767 1.00 0.42 H new ATOM 0 HG3 LYS A 656 1.428 7.019 -3.219 1.00 0.42 H new ATOM 0 HD2 LYS A 656 2.472 9.066 -3.407 1.00 0.81 H new ATOM 0 HD3 LYS A 656 4.045 8.432 -2.965 1.00 0.81 H new ATOM 0 HE2 LYS A 656 4.420 8.818 -5.207 1.00 0.81 H new ATOM 0 HE3 LYS A 656 3.843 7.166 -5.300 1.00 0.81 H new ATOM 0 HZ1 LYS A 656 2.749 8.586 -6.918 1.00 1.34 H new ATOM 0 HZ2 LYS A 656 1.621 7.989 -5.797 1.00 1.34 H new ATOM 0 HZ3 LYS A 656 2.163 9.594 -5.684 1.00 1.34 H new ATOM 1032 N LEU A 657 1.509 8.100 1.020 1.00 0.24 N ATOM 1033 CA LEU A 657 1.785 8.665 2.338 1.00 0.27 C ATOM 1034 C LEU A 657 0.545 8.643 3.229 1.00 0.26 C ATOM 1035 O LEU A 657 0.654 8.628 4.455 1.00 0.33 O ATOM 1036 CB LEU A 657 2.296 10.100 2.200 1.00 0.36 C ATOM 1037 CG LEU A 657 3.779 10.228 1.851 1.00 0.39 C ATOM 1038 CD1 LEU A 657 4.090 11.630 1.351 1.00 0.52 C ATOM 1039 CD2 LEU A 657 4.642 9.887 3.058 1.00 0.50 C ATOM 0 H LEU A 657 0.917 8.682 0.427 1.00 0.24 H new ATOM 0 HA LEU A 657 2.551 8.048 2.808 1.00 0.27 H new ATOM 0 HB2 LEU A 657 1.712 10.605 1.430 1.00 0.36 H new ATOM 0 HB3 LEU A 657 2.112 10.627 3.136 1.00 0.36 H new ATOM 0 HG LEU A 657 4.008 9.521 1.054 1.00 0.39 H new ATOM 0 HD11 LEU A 657 5.150 11.703 1.107 1.00 0.52 H new ATOM 0 HD12 LEU A 657 3.498 11.838 0.460 1.00 0.52 H new ATOM 0 HD13 LEU A 657 3.845 12.356 2.127 1.00 0.52 H new ATOM 0 HD21 LEU A 657 5.695 9.983 2.792 1.00 0.50 H new ATOM 0 HD22 LEU A 657 4.411 10.570 3.875 1.00 0.50 H new ATOM 0 HD23 LEU A 657 4.440 8.863 3.372 1.00 0.50 H new ATOM 1051 N SER A 658 -0.630 8.652 2.609 1.00 0.24 N ATOM 1052 CA SER A 658 -1.884 8.647 3.356 1.00 0.29 C ATOM 1053 C SER A 658 -2.262 7.238 3.809 1.00 0.25 C ATOM 1054 O SER A 658 -2.944 7.069 4.820 1.00 0.30 O ATOM 1055 CB SER A 658 -3.006 9.236 2.502 1.00 0.34 C ATOM 1056 OG SER A 658 -3.419 8.320 1.502 1.00 1.18 O ATOM 0 H SER A 658 -0.741 8.663 1.595 1.00 0.24 H new ATOM 0 HA SER A 658 -1.743 9.260 4.246 1.00 0.29 H new ATOM 0 HB2 SER A 658 -3.854 9.493 3.137 1.00 0.34 H new ATOM 0 HB3 SER A 658 -2.665 10.160 2.035 1.00 0.34 H new ATOM 0 HG SER A 658 -4.239 7.867 1.791 1.00 1.18 H new ATOM 1062 N ILE A 659 -1.826 6.232 3.058 1.00 0.18 N ATOM 1063 CA ILE A 659 -2.136 4.845 3.393 1.00 0.15 C ATOM 1064 C ILE A 659 -0.919 4.114 3.945 1.00 0.13 C ATOM 1065 O ILE A 659 0.212 4.364 3.531 1.00 0.13 O ATOM 1066 CB ILE A 659 -2.665 4.072 2.170 1.00 0.17 C ATOM 1067 CG1 ILE A 659 -3.756 4.879 1.464 1.00 0.20 C ATOM 1068 CG2 ILE A 659 -3.194 2.708 2.595 1.00 0.18 C ATOM 1069 CD1 ILE A 659 -4.246 4.246 0.180 1.00 0.27 C ATOM 0 H ILE A 659 -1.260 6.349 2.218 1.00 0.18 H new ATOM 0 HA ILE A 659 -2.910 4.882 4.159 1.00 0.15 H new ATOM 0 HB ILE A 659 -1.844 3.919 1.470 1.00 0.17 H new ATOM 0 HG12 ILE A 659 -4.600 5.004 2.142 1.00 0.20 H new ATOM 0 HG13 ILE A 659 -3.374 5.876 1.244 1.00 0.20 H new ATOM 0 HG21 ILE A 659 -3.565 2.173 1.721 1.00 0.18 H new ATOM 0 HG22 ILE A 659 -2.391 2.134 3.058 1.00 0.18 H new ATOM 0 HG23 ILE A 659 -4.005 2.839 3.311 1.00 0.18 H new ATOM 0 HD11 ILE A 659 -5.018 4.874 -0.264 1.00 0.27 H new ATOM 0 HD12 ILE A 659 -3.414 4.146 -0.517 1.00 0.27 H new ATOM 0 HD13 ILE A 659 -4.659 3.261 0.395 1.00 0.27 H new ATOM 1081 N ARG A 660 -1.167 3.198 4.878 1.00 0.17 N ATOM 1082 CA ARG A 660 -0.102 2.413 5.490 1.00 0.17 C ATOM 1083 C ARG A 660 -0.275 0.933 5.168 1.00 0.20 C ATOM 1084 O ARG A 660 -1.335 0.508 4.715 1.00 0.20 O ATOM 1085 CB ARG A 660 -0.086 2.618 7.008 1.00 0.19 C ATOM 1086 CG ARG A 660 -0.616 3.973 7.449 1.00 0.18 C ATOM 1087 CD ARG A 660 0.169 4.518 8.631 1.00 0.32 C ATOM 1088 NE ARG A 660 -0.650 5.378 9.480 1.00 0.66 N ATOM 1089 CZ ARG A 660 -1.555 4.919 10.339 1.00 1.09 C ATOM 1090 NH1 ARG A 660 -1.755 3.615 10.464 1.00 1.74 N ATOM 1091 NH2 ARG A 660 -2.261 5.768 11.074 1.00 1.43 N ATOM 0 H ARG A 660 -2.101 2.982 5.227 1.00 0.17 H new ATOM 0 HA ARG A 660 0.849 2.753 5.080 1.00 0.17 H new ATOM 0 HB2 ARG A 660 -0.681 1.835 7.477 1.00 0.19 H new ATOM 0 HB3 ARG A 660 0.935 2.502 7.370 1.00 0.19 H new ATOM 0 HG2 ARG A 660 -0.559 4.676 6.618 1.00 0.18 H new ATOM 0 HG3 ARG A 660 -1.668 3.883 7.719 1.00 0.18 H new ATOM 0 HD2 ARG A 660 0.557 3.689 9.222 1.00 0.32 H new ATOM 0 HD3 ARG A 660 1.029 5.080 8.267 1.00 0.32 H new ATOM 0 HE ARG A 660 -0.521 6.387 9.410 1.00 0.66 H new ATOM 0 HH11 ARG A 660 -1.214 2.960 9.900 1.00 1.74 H new ATOM 0 HH12 ARG A 660 -2.450 3.267 11.124 1.00 1.74 H new ATOM 0 HH21 ARG A 660 -2.109 6.772 10.980 1.00 1.43 H new ATOM 0 HH22 ARG A 660 -2.956 5.417 11.733 1.00 1.43 H new ATOM 1105 N CYS A 661 0.772 0.153 5.406 1.00 0.25 N ATOM 1106 CA CYS A 661 0.730 -1.281 5.146 1.00 0.29 C ATOM 1107 C CYS A 661 1.470 -2.041 6.238 1.00 0.33 C ATOM 1108 O CYS A 661 2.698 -2.140 6.215 1.00 0.36 O ATOM 1109 CB CYS A 661 1.350 -1.592 3.783 1.00 0.33 C ATOM 1110 SG CYS A 661 0.365 -2.713 2.762 1.00 1.57 S ATOM 0 H CYS A 661 1.660 0.489 5.778 1.00 0.25 H new ATOM 0 HA CYS A 661 -0.312 -1.599 5.141 1.00 0.29 H new ATOM 0 HB2 CYS A 661 1.496 -0.658 3.241 1.00 0.33 H new ATOM 0 HB3 CYS A 661 2.337 -2.029 3.936 1.00 0.33 H new ATOM 0 HG CYS A 661 -0.493 -3.340 3.510 1.00 1.57 H new ATOM 1116 N GLY A 662 0.719 -2.567 7.201 1.00 0.36 N ATOM 1117 CA GLY A 662 1.328 -3.300 8.295 1.00 0.42 C ATOM 1118 C GLY A 662 1.956 -2.376 9.321 1.00 0.38 C ATOM 1119 O GLY A 662 1.924 -2.653 10.520 1.00 0.54 O ATOM 0 H GLY A 662 -0.298 -2.499 7.243 1.00 0.36 H new ATOM 0 HA2 GLY A 662 0.574 -3.920 8.780 1.00 0.42 H new ATOM 0 HA3 GLY A 662 2.089 -3.973 7.900 1.00 0.42 H new ATOM 1123 N GLY A 663 2.525 -1.271 8.844 1.00 0.34 N ATOM 1124 CA GLY A 663 3.154 -0.310 9.730 1.00 0.29 C ATOM 1125 C GLY A 663 3.674 0.904 8.984 1.00 0.23 C ATOM 1126 O GLY A 663 3.454 2.040 9.405 1.00 0.27 O ATOM 0 H GLY A 663 2.561 -1.025 7.855 1.00 0.34 H new ATOM 0 HA2 GLY A 663 2.436 0.010 10.485 1.00 0.29 H new ATOM 0 HA3 GLY A 663 3.978 -0.790 10.258 1.00 0.29 H new ATOM 1130 N TYR A 664 4.367 0.663 7.872 1.00 0.20 N ATOM 1131 CA TYR A 664 4.919 1.743 7.064 1.00 0.17 C ATOM 1132 C TYR A 664 4.063 1.985 5.824 1.00 0.15 C ATOM 1133 O TYR A 664 3.538 1.045 5.228 1.00 0.17 O ATOM 1134 CB TYR A 664 6.354 1.414 6.649 1.00 0.22 C ATOM 1135 CG TYR A 664 7.324 1.356 7.809 1.00 0.31 C ATOM 1136 CD1 TYR A 664 7.982 2.498 8.245 1.00 0.45 C ATOM 1137 CD2 TYR A 664 7.579 0.158 8.467 1.00 0.48 C ATOM 1138 CE1 TYR A 664 8.869 2.449 9.304 1.00 0.59 C ATOM 1139 CE2 TYR A 664 8.463 0.103 9.527 1.00 0.61 C ATOM 1140 CZ TYR A 664 9.109 1.247 9.938 1.00 0.62 C ATOM 1141 OH TYR A 664 9.986 1.198 10.997 1.00 0.78 O ATOM 0 H TYR A 664 4.558 -0.272 7.512 1.00 0.20 H new ATOM 0 HA TYR A 664 4.921 2.651 7.667 1.00 0.17 H new ATOM 0 HB2 TYR A 664 6.362 0.455 6.131 1.00 0.22 H new ATOM 0 HB3 TYR A 664 6.698 2.164 5.936 1.00 0.22 H new ATOM 0 HD1 TYR A 664 7.798 3.440 7.749 1.00 0.45 H new ATOM 0 HD2 TYR A 664 7.078 -0.743 8.145 1.00 0.48 H new ATOM 0 HE1 TYR A 664 9.371 3.346 9.633 1.00 0.59 H new ATOM 0 HE2 TYR A 664 8.647 -0.834 10.031 1.00 0.61 H new ATOM 0 HH TYR A 664 10.043 0.279 11.333 1.00 0.78 H new ATOM 1151 N THR A 665 3.933 3.250 5.439 1.00 0.14 N ATOM 1152 CA THR A 665 3.147 3.619 4.267 1.00 0.14 C ATOM 1153 C THR A 665 3.786 3.080 2.991 1.00 0.16 C ATOM 1154 O THR A 665 4.904 2.572 3.022 1.00 0.23 O ATOM 1155 CB THR A 665 3.001 5.147 4.154 1.00 0.16 C ATOM 1156 OG1 THR A 665 4.238 5.729 3.727 1.00 0.21 O ATOM 1157 CG2 THR A 665 2.584 5.749 5.489 1.00 0.26 C ATOM 0 H THR A 665 4.363 4.039 5.923 1.00 0.14 H new ATOM 0 HA THR A 665 2.158 3.176 4.389 1.00 0.14 H new ATOM 0 HB THR A 665 2.227 5.363 3.417 1.00 0.16 H new ATOM 0 HG1 THR A 665 4.097 6.220 2.891 1.00 0.21 H new ATOM 0 HG21 THR A 665 2.487 6.830 5.386 1.00 0.26 H new ATOM 0 HG22 THR A 665 1.627 5.326 5.796 1.00 0.26 H new ATOM 0 HG23 THR A 665 3.339 5.523 6.242 1.00 0.26 H new ATOM 1165 N LEU A 666 3.075 3.196 1.869 1.00 0.16 N ATOM 1166 CA LEU A 666 3.593 2.717 0.589 1.00 0.19 C ATOM 1167 C LEU A 666 4.834 3.500 0.192 1.00 0.21 C ATOM 1168 O LEU A 666 5.702 2.988 -0.512 1.00 0.24 O ATOM 1169 CB LEU A 666 2.535 2.829 -0.513 1.00 0.21 C ATOM 1170 CG LEU A 666 1.424 1.773 -0.478 1.00 0.20 C ATOM 1171 CD1 LEU A 666 1.950 0.431 0.014 1.00 0.20 C ATOM 1172 CD2 LEU A 666 0.287 2.250 0.405 1.00 0.25 C ATOM 0 H LEU A 666 2.146 3.614 1.821 1.00 0.16 H new ATOM 0 HA LEU A 666 3.855 1.666 0.709 1.00 0.19 H new ATOM 0 HB2 LEU A 666 2.075 3.815 -0.451 1.00 0.21 H new ATOM 0 HB3 LEU A 666 3.036 2.771 -1.479 1.00 0.21 H new ATOM 0 HG LEU A 666 1.055 1.632 -1.494 1.00 0.20 H new ATOM 0 HD11 LEU A 666 1.138 -0.296 0.027 1.00 0.20 H new ATOM 0 HD12 LEU A 666 2.738 0.082 -0.653 1.00 0.20 H new ATOM 0 HD13 LEU A 666 2.351 0.545 1.021 1.00 0.20 H new ATOM 0 HD21 LEU A 666 -0.499 1.495 0.426 1.00 0.25 H new ATOM 0 HD22 LEU A 666 0.657 2.416 1.417 1.00 0.25 H new ATOM 0 HD23 LEU A 666 -0.115 3.182 0.008 1.00 0.25 H new ATOM 1184 N LYS A 667 4.913 4.742 0.654 1.00 0.20 N ATOM 1185 CA LYS A 667 6.053 5.595 0.356 1.00 0.23 C ATOM 1186 C LYS A 667 7.330 4.953 0.878 1.00 0.24 C ATOM 1187 O LYS A 667 8.350 4.901 0.189 1.00 0.29 O ATOM 1188 CB LYS A 667 5.861 6.967 1.000 1.00 0.25 C ATOM 1189 CG LYS A 667 6.523 8.099 0.235 1.00 0.42 C ATOM 1190 CD LYS A 667 7.788 8.575 0.930 1.00 1.05 C ATOM 1191 CE LYS A 667 8.892 8.877 -0.069 1.00 1.68 C ATOM 1192 NZ LYS A 667 10.230 8.926 0.581 1.00 2.05 N ATOM 0 H LYS A 667 4.200 5.180 1.237 1.00 0.20 H new ATOM 0 HA LYS A 667 6.131 5.718 -0.724 1.00 0.23 H new ATOM 0 HB2 LYS A 667 4.794 7.173 1.084 1.00 0.25 H new ATOM 0 HB3 LYS A 667 6.262 6.942 2.013 1.00 0.25 H new ATOM 0 HG2 LYS A 667 6.764 7.765 -0.774 1.00 0.42 H new ATOM 0 HG3 LYS A 667 5.825 8.931 0.137 1.00 0.42 H new ATOM 0 HD2 LYS A 667 7.569 9.469 1.514 1.00 1.05 H new ATOM 0 HD3 LYS A 667 8.128 7.813 1.631 1.00 1.05 H new ATOM 0 HE2 LYS A 667 8.895 8.115 -0.849 1.00 1.68 H new ATOM 0 HE3 LYS A 667 8.690 9.831 -0.556 1.00 1.68 H new ATOM 0 HZ1 LYS A 667 10.956 9.134 -0.134 1.00 2.05 H new ATOM 0 HZ2 LYS A 667 10.236 9.670 1.308 1.00 2.05 H new ATOM 0 HZ3 LYS A 667 10.434 8.008 1.024 1.00 2.05 H new ATOM 1206 N VAL A 668 7.252 4.453 2.103 1.00 0.25 N ATOM 1207 CA VAL A 668 8.382 3.796 2.743 1.00 0.30 C ATOM 1208 C VAL A 668 8.504 2.350 2.275 1.00 0.30 C ATOM 1209 O VAL A 668 9.607 1.824 2.132 1.00 0.38 O ATOM 1210 CB VAL A 668 8.255 3.825 4.279 1.00 0.34 C ATOM 1211 CG1 VAL A 668 9.598 3.537 4.933 1.00 0.44 C ATOM 1212 CG2 VAL A 668 7.705 5.166 4.742 1.00 0.47 C ATOM 0 H VAL A 668 6.410 4.491 2.677 1.00 0.25 H new ATOM 0 HA VAL A 668 9.278 4.346 2.456 1.00 0.30 H new ATOM 0 HB VAL A 668 7.556 3.046 4.583 1.00 0.34 H new ATOM 0 HG11 VAL A 668 9.488 3.562 6.017 1.00 0.44 H new ATOM 0 HG12 VAL A 668 9.948 2.551 4.626 1.00 0.44 H new ATOM 0 HG13 VAL A 668 10.322 4.291 4.625 1.00 0.44 H new ATOM 0 HG21 VAL A 668 7.622 5.169 5.829 1.00 0.47 H new ATOM 0 HG22 VAL A 668 8.378 5.964 4.427 1.00 0.47 H new ATOM 0 HG23 VAL A 668 6.721 5.327 4.302 1.00 0.47 H new ATOM 1222 N LEU A 669 7.360 1.712 2.032 1.00 0.26 N ATOM 1223 CA LEU A 669 7.339 0.328 1.574 1.00 0.32 C ATOM 1224 C LEU A 669 7.948 0.222 0.185 1.00 0.38 C ATOM 1225 O LEU A 669 8.559 -0.789 -0.164 1.00 0.47 O ATOM 1226 CB LEU A 669 5.906 -0.206 1.558 1.00 0.36 C ATOM 1227 CG LEU A 669 5.643 -1.376 2.504 1.00 0.34 C ATOM 1228 CD1 LEU A 669 5.580 -0.895 3.946 1.00 0.36 C ATOM 1229 CD2 LEU A 669 4.356 -2.088 2.119 1.00 0.38 C ATOM 0 H LEU A 669 6.438 2.133 2.145 1.00 0.26 H new ATOM 0 HA LEU A 669 7.930 -0.273 2.265 1.00 0.32 H new ATOM 0 HB2 LEU A 669 5.228 0.608 1.814 1.00 0.36 H new ATOM 0 HB3 LEU A 669 5.661 -0.517 0.542 1.00 0.36 H new ATOM 0 HG LEU A 669 6.468 -2.083 2.417 1.00 0.34 H new ATOM 0 HD11 LEU A 669 5.392 -1.743 4.605 1.00 0.36 H new ATOM 0 HD12 LEU A 669 6.528 -0.429 4.216 1.00 0.36 H new ATOM 0 HD13 LEU A 669 4.775 -0.168 4.052 1.00 0.36 H new ATOM 0 HD21 LEU A 669 4.182 -2.919 2.802 1.00 0.38 H new ATOM 0 HD22 LEU A 669 3.522 -1.389 2.178 1.00 0.38 H new ATOM 0 HD23 LEU A 669 4.440 -2.467 1.100 1.00 0.38 H new ATOM 1241 N MET A 670 7.798 1.285 -0.598 1.00 0.36 N ATOM 1242 CA MET A 670 8.357 1.323 -1.942 1.00 0.44 C ATOM 1243 C MET A 670 9.805 1.787 -1.874 1.00 0.47 C ATOM 1244 O MET A 670 10.554 1.691 -2.847 1.00 0.55 O ATOM 1245 CB MET A 670 7.540 2.256 -2.843 1.00 0.48 C ATOM 1246 CG MET A 670 7.788 3.735 -2.585 1.00 0.45 C ATOM 1247 SD MET A 670 7.499 4.753 -4.045 1.00 0.71 S ATOM 1248 CE MET A 670 5.724 4.593 -4.226 1.00 0.70 C ATOM 0 H MET A 670 7.295 2.129 -0.325 1.00 0.36 H new ATOM 0 HA MET A 670 8.318 0.322 -2.371 1.00 0.44 H new ATOM 0 HB2 MET A 670 7.773 2.035 -3.885 1.00 0.48 H new ATOM 0 HB3 MET A 670 6.480 2.045 -2.702 1.00 0.48 H new ATOM 0 HG2 MET A 670 7.139 4.073 -1.777 1.00 0.45 H new ATOM 0 HG3 MET A 670 8.815 3.874 -2.248 1.00 0.45 H new ATOM 0 HE1 MET A 670 5.393 5.169 -5.090 1.00 0.70 H new ATOM 0 HE2 MET A 670 5.466 3.544 -4.369 1.00 0.70 H new ATOM 0 HE3 MET A 670 5.231 4.969 -3.329 1.00 0.70 H new ATOM 1258 N GLU A 671 10.186 2.284 -0.701 1.00 0.42 N ATOM 1259 CA GLU A 671 11.538 2.762 -0.465 1.00 0.47 C ATOM 1260 C GLU A 671 12.401 1.659 0.138 1.00 0.51 C ATOM 1261 O GLU A 671 13.624 1.669 0.001 1.00 0.59 O ATOM 1262 CB GLU A 671 11.514 3.973 0.471 1.00 0.45 C ATOM 1263 CG GLU A 671 12.185 5.206 -0.111 1.00 0.88 C ATOM 1264 CD GLU A 671 13.314 5.721 0.760 1.00 1.56 C ATOM 1265 OE1 GLU A 671 13.023 6.353 1.797 1.00 1.90 O ATOM 1266 OE2 GLU A 671 14.489 5.492 0.405 1.00 2.39 O ATOM 0 H GLU A 671 9.568 2.365 0.106 1.00 0.42 H new ATOM 0 HA GLU A 671 11.968 3.058 -1.422 1.00 0.47 H new ATOM 0 HB2 GLU A 671 10.479 4.213 0.714 1.00 0.45 H new ATOM 0 HB3 GLU A 671 12.007 3.709 1.406 1.00 0.45 H new ATOM 0 HG2 GLU A 671 12.574 4.970 -1.102 1.00 0.88 H new ATOM 0 HG3 GLU A 671 11.442 5.993 -0.239 1.00 0.88 H new ATOM 1273 N ASN A 672 11.752 0.706 0.806 1.00 0.47 N ATOM 1274 CA ASN A 672 12.457 -0.403 1.430 1.00 0.53 C ATOM 1275 C ASN A 672 12.810 -1.464 0.394 1.00 0.60 C ATOM 1276 O ASN A 672 13.969 -1.587 -0.007 1.00 0.72 O ATOM 1277 CB ASN A 672 11.604 -1.022 2.545 1.00 0.50 C ATOM 1278 CG ASN A 672 11.306 -0.043 3.665 1.00 0.82 C ATOM 1279 OD1 ASN A 672 12.151 0.770 4.037 1.00 1.54 O ATOM 1280 ND2 ASN A 672 10.094 -0.120 4.208 1.00 0.62 N ATOM 0 H ASN A 672 10.739 0.683 0.927 1.00 0.47 H new ATOM 0 HA ASN A 672 13.379 -0.019 1.865 1.00 0.53 H new ATOM 0 HB2 ASN A 672 10.666 -1.381 2.122 1.00 0.50 H new ATOM 0 HB3 ASN A 672 12.122 -1.889 2.954 1.00 0.50 H new ATOM 0 HD21 ASN A 672 9.833 0.512 4.965 1.00 0.62 H new ATOM 0 HD22 ASN A 672 9.425 -0.811 3.867 1.00 0.62 H new ATOM 1287 N LYS A 673 11.802 -2.222 -0.039 1.00 0.59 N ATOM 1288 CA LYS A 673 11.999 -3.276 -1.034 1.00 0.69 C ATOM 1289 C LYS A 673 10.700 -4.034 -1.302 1.00 0.68 C ATOM 1290 O LYS A 673 10.542 -4.650 -2.357 1.00 0.95 O ATOM 1291 CB LYS A 673 13.072 -4.259 -0.564 1.00 0.87 C ATOM 1292 CG LYS A 673 12.891 -4.714 0.874 1.00 0.94 C ATOM 1293 CD LYS A 673 14.227 -4.839 1.585 1.00 1.46 C ATOM 1294 CE LYS A 673 14.683 -6.286 1.653 1.00 1.87 C ATOM 1295 NZ LYS A 673 16.074 -6.406 2.168 1.00 2.62 N ATOM 0 H LYS A 673 10.840 -2.125 0.284 1.00 0.59 H new ATOM 0 HA LYS A 673 12.322 -2.799 -1.959 1.00 0.69 H new ATOM 0 HB2 LYS A 673 13.064 -5.132 -1.216 1.00 0.87 H new ATOM 0 HB3 LYS A 673 14.051 -3.792 -0.668 1.00 0.87 H new ATOM 0 HG2 LYS A 673 12.259 -4.003 1.406 1.00 0.94 H new ATOM 0 HG3 LYS A 673 12.376 -5.674 0.892 1.00 0.94 H new ATOM 0 HD2 LYS A 673 14.976 -4.244 1.063 1.00 1.46 H new ATOM 0 HD3 LYS A 673 14.144 -4.434 2.594 1.00 1.46 H new ATOM 0 HE2 LYS A 673 14.008 -6.850 2.297 1.00 1.87 H new ATOM 0 HE3 LYS A 673 14.624 -6.732 0.660 1.00 1.87 H new ATOM 0 HZ1 LYS A 673 16.347 -7.409 2.199 1.00 2.62 H new ATOM 0 HZ2 LYS A 673 16.722 -5.890 1.540 1.00 2.62 H new ATOM 0 HZ3 LYS A 673 16.126 -6.003 3.125 1.00 2.62 H new