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 -147:sc= -7.52! USER MOD Set 1.2: A 658 SER OG : rot 80:sc= 0.0606 USER MOD Single : A 599 ASN : amide:sc= 0.271 K(o=0.27,f=-2!) USER MOD Single : A 601 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 602 GLN : amide:sc= -4.81! K(o=-4.8!,f=-1.5) USER MOD Single : A 603 SER OG : rot 180:sc= 0 USER MOD Single : A 608 THR OG1 : rot 180:sc= -0.657 USER MOD Single : A 613 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 615 THR OG1 : rot 180:sc= -0.841 USER MOD Single : A 617 TYR OH : rot 180:sc= 0 USER MOD Single : A 618 LYS NZ :NH3+ -164:sc= -2.71! (180deg=-2.81!) USER MOD Single : A 622 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 623 GLN : amide:sc= -0.19 K(o=-0.19,f=-1.2) USER MOD Single : A 625 THR OG1 : rot -25:sc= 0.427 USER MOD Single : A 626 SER OG : rot -47:sc= 0.0481 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 -72:sc= -0.765 USER MOD Single : A 631 GLN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 632 SER OG : rot 69:sc= 0.229 USER MOD Single : A 636 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 639 THR OG1 : rot 180:sc= 0.0198 USER MOD Single : A 652 SER OG : rot 123:sc= 0.344 USER MOD Single : A 653 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 654 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 656 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 661 CYS SG : rot -22:sc= -2.23! USER MOD Single : A 664 TYR OH : rot 180:sc= 0 USER MOD Single : A 665 THR OG1 : rot -130:sc= -0.106 USER MOD Single : A 667 LYS NZ :NH3+ -147:sc= -0.25 (180deg=-1.22!) USER MOD Single : A 670 MET CE :methyl -177:sc= -0.103 (180deg=-0.112) USER MOD Single : A 672 ASN : amide:sc= -0.702 X(o=-0.7,f=-0.92) USER MOD Single : A 673 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 61 N ILE A 598 7.057 -5.923 8.130 1.00 0.87 N ATOM 62 CA ILE A 598 5.917 -6.490 7.418 1.00 0.64 C ATOM 63 C ILE A 598 6.368 -7.265 6.184 1.00 0.66 C ATOM 64 O ILE A 598 7.136 -6.760 5.366 1.00 0.79 O ATOM 65 CB ILE A 598 4.917 -5.393 6.990 1.00 0.49 C ATOM 66 CG1 ILE A 598 4.494 -4.549 8.198 1.00 0.69 C ATOM 67 CG2 ILE A 598 3.700 -6.014 6.320 1.00 0.35 C ATOM 68 CD1 ILE A 598 4.153 -5.368 9.425 1.00 0.83 C ATOM 0 HA ILE A 598 5.421 -7.172 8.108 1.00 0.64 H new ATOM 0 HB ILE A 598 5.410 -4.739 6.271 1.00 0.49 H new ATOM 0 HG12 ILE A 598 5.299 -3.857 8.446 1.00 0.69 H new ATOM 0 HG13 ILE A 598 3.629 -3.946 7.923 1.00 0.69 H new ATOM 0 HG21 ILE A 598 3.006 -5.227 6.025 1.00 0.35 H new ATOM 0 HG22 ILE A 598 4.015 -6.570 5.437 1.00 0.35 H new ATOM 0 HG23 ILE A 598 3.206 -6.690 7.018 1.00 0.35 H new ATOM 0 HD11 ILE A 598 3.863 -4.702 10.238 1.00 0.83 H new ATOM 0 HD12 ILE A 598 3.327 -6.041 9.195 1.00 0.83 H new ATOM 0 HD13 ILE A 598 5.023 -5.951 9.726 1.00 0.83 H new ATOM 80 N ASN A 599 5.881 -8.496 6.058 1.00 0.73 N ATOM 81 CA ASN A 599 6.229 -9.346 4.924 1.00 0.83 C ATOM 82 C ASN A 599 5.423 -8.950 3.691 1.00 0.95 C ATOM 83 O ASN A 599 4.790 -7.896 3.667 1.00 1.52 O ATOM 84 CB ASN A 599 5.978 -10.819 5.258 1.00 0.98 C ATOM 85 CG ASN A 599 5.647 -11.041 6.721 1.00 1.45 C ATOM 86 OD1 ASN A 599 4.561 -10.694 7.184 1.00 2.10 O ATOM 87 ND2 ASN A 599 6.586 -11.624 7.458 1.00 2.19 N ATOM 0 H ASN A 599 5.244 -8.927 6.728 1.00 0.73 H new ATOM 0 HA ASN A 599 7.289 -9.209 4.711 1.00 0.83 H new ATOM 0 HB2 ASN A 599 5.158 -11.192 4.644 1.00 0.98 H new ATOM 0 HB3 ASN A 599 6.862 -11.402 4.997 1.00 0.98 H new ATOM 0 HD21 ASN A 599 6.420 -11.800 8.449 1.00 2.19 H new ATOM 0 HD22 ASN A 599 7.473 -11.896 7.033 1.00 2.19 H new ATOM 94 N PHE A 600 5.454 -9.801 2.668 1.00 0.69 N ATOM 95 CA PHE A 600 4.729 -9.540 1.433 1.00 0.82 C ATOM 96 C PHE A 600 4.367 -10.843 0.721 1.00 0.89 C ATOM 97 O PHE A 600 3.737 -10.828 -0.336 1.00 1.04 O ATOM 98 CB PHE A 600 5.565 -8.647 0.513 1.00 0.93 C ATOM 99 CG PHE A 600 6.573 -9.392 -0.317 1.00 1.05 C ATOM 100 CD1 PHE A 600 7.639 -10.040 0.286 1.00 1.38 C ATOM 101 CD2 PHE A 600 6.452 -9.449 -1.696 1.00 1.21 C ATOM 102 CE1 PHE A 600 8.568 -10.729 -0.470 1.00 1.92 C ATOM 103 CE2 PHE A 600 7.378 -10.137 -2.458 1.00 1.63 C ATOM 104 CZ PHE A 600 8.434 -10.764 -1.859 1.00 2.02 C ATOM 0 H PHE A 600 5.975 -10.678 2.673 1.00 0.69 H new ATOM 0 HA PHE A 600 3.802 -9.025 1.684 1.00 0.82 H new ATOM 0 HB2 PHE A 600 4.896 -8.101 -0.152 1.00 0.93 H new ATOM 0 HB3 PHE A 600 6.086 -7.906 1.119 1.00 0.93 H new ATOM 0 HD1 PHE A 600 7.745 -10.006 1.360 1.00 1.38 H new ATOM 0 HD2 PHE A 600 5.626 -8.951 -2.181 1.00 1.21 H new ATOM 0 HE1 PHE A 600 9.392 -11.237 0.010 1.00 1.92 H new ATOM 0 HE2 PHE A 600 7.266 -10.179 -3.531 1.00 1.63 H new ATOM 0 HZ PHE A 600 9.164 -11.286 -2.460 1.00 2.02 H new ATOM 114 N LYS A 601 4.777 -11.967 1.303 1.00 0.87 N ATOM 115 CA LYS A 601 4.503 -13.276 0.719 1.00 1.02 C ATOM 116 C LYS A 601 3.283 -13.931 1.359 1.00 0.99 C ATOM 117 O LYS A 601 2.929 -15.063 1.027 1.00 1.13 O ATOM 118 CB LYS A 601 5.719 -14.183 0.872 1.00 1.16 C ATOM 119 CG LYS A 601 6.851 -13.834 -0.078 1.00 1.16 C ATOM 120 CD LYS A 601 6.435 -13.972 -1.536 1.00 1.78 C ATOM 121 CE LYS A 601 6.195 -15.425 -1.915 1.00 2.40 C ATOM 122 NZ LYS A 601 6.538 -15.695 -3.339 1.00 3.20 N ATOM 0 H LYS A 601 5.300 -11.997 2.178 1.00 0.87 H new ATOM 0 HA LYS A 601 4.289 -13.130 -0.340 1.00 1.02 H new ATOM 0 HB2 LYS A 601 6.083 -14.122 1.898 1.00 1.16 H new ATOM 0 HB3 LYS A 601 5.417 -15.216 0.702 1.00 1.16 H new ATOM 0 HG2 LYS A 601 7.180 -12.812 0.110 1.00 1.16 H new ATOM 0 HG3 LYS A 601 7.703 -14.484 0.119 1.00 1.16 H new ATOM 0 HD2 LYS A 601 5.527 -13.395 -1.712 1.00 1.78 H new ATOM 0 HD3 LYS A 601 7.210 -13.551 -2.177 1.00 1.78 H new ATOM 0 HE2 LYS A 601 6.791 -16.071 -1.270 1.00 2.40 H new ATOM 0 HE3 LYS A 601 5.149 -15.677 -1.740 1.00 2.40 H new ATOM 0 HZ1 LYS A 601 6.360 -16.697 -3.555 1.00 3.20 H new ATOM 0 HZ2 LYS A 601 5.952 -15.098 -3.957 1.00 3.20 H new ATOM 0 HZ3 LYS A 601 7.542 -15.479 -3.501 1.00 3.20 H new ATOM 136 N GLN A 602 2.646 -13.219 2.283 1.00 0.85 N ATOM 137 CA GLN A 602 1.471 -13.739 2.976 1.00 0.89 C ATOM 138 C GLN A 602 0.235 -13.698 2.081 1.00 0.98 C ATOM 139 O GLN A 602 -0.862 -14.054 2.514 1.00 1.98 O ATOM 140 CB GLN A 602 1.211 -12.944 4.258 1.00 0.87 C ATOM 141 CG GLN A 602 2.456 -12.287 4.834 1.00 0.78 C ATOM 142 CD GLN A 602 3.556 -13.287 5.139 1.00 0.99 C ATOM 143 OE1 GLN A 602 3.560 -13.920 6.195 1.00 1.25 O ATOM 144 NE2 GLN A 602 4.498 -13.435 4.211 1.00 1.15 N ATOM 0 H GLN A 602 2.923 -12.280 2.570 1.00 0.85 H new ATOM 0 HA GLN A 602 1.672 -14.779 3.234 1.00 0.89 H new ATOM 0 HB2 GLN A 602 0.467 -12.174 4.053 1.00 0.87 H new ATOM 0 HB3 GLN A 602 0.783 -13.610 5.007 1.00 0.87 H new ATOM 0 HG2 GLN A 602 2.830 -11.545 4.129 1.00 0.78 H new ATOM 0 HG3 GLN A 602 2.191 -11.754 5.747 1.00 0.78 H new ATOM 0 HE21 GLN A 602 4.456 -12.890 3.350 1.00 1.15 H new ATOM 0 HE22 GLN A 602 5.262 -14.094 4.361 1.00 1.15 H new ATOM 153 N SER A 603 0.425 -13.263 0.833 1.00 0.46 N ATOM 154 CA SER A 603 -0.664 -13.170 -0.144 1.00 0.46 C ATOM 155 C SER A 603 -1.618 -12.018 0.174 1.00 0.42 C ATOM 156 O SER A 603 -2.243 -11.457 -0.726 1.00 0.55 O ATOM 157 CB SER A 603 -1.441 -14.488 -0.218 1.00 0.52 C ATOM 158 OG SER A 603 -0.775 -15.429 -1.043 1.00 1.06 O ATOM 0 H SER A 603 1.332 -12.967 0.472 1.00 0.46 H new ATOM 0 HA SER A 603 -0.208 -12.970 -1.114 1.00 0.46 H new ATOM 0 HB2 SER A 603 -1.561 -14.899 0.784 1.00 0.52 H new ATOM 0 HB3 SER A 603 -2.442 -14.302 -0.608 1.00 0.52 H new ATOM 0 HG SER A 603 -1.291 -16.262 -1.072 1.00 1.06 H new ATOM 164 N GLU A 604 -1.725 -11.665 1.452 1.00 0.31 N ATOM 165 CA GLU A 604 -2.601 -10.578 1.871 1.00 0.30 C ATOM 166 C GLU A 604 -1.837 -9.565 2.718 1.00 0.27 C ATOM 167 O GLU A 604 -1.438 -9.858 3.845 1.00 0.38 O ATOM 168 CB GLU A 604 -3.792 -11.129 2.660 1.00 0.35 C ATOM 169 CG GLU A 604 -5.077 -11.205 1.850 1.00 0.51 C ATOM 170 CD GLU A 604 -6.145 -12.045 2.523 1.00 0.82 C ATOM 171 OE1 GLU A 604 -6.244 -11.993 3.767 1.00 1.48 O ATOM 172 OE2 GLU A 604 -6.884 -12.751 1.807 1.00 1.26 O ATOM 0 H GLU A 604 -1.217 -12.115 2.213 1.00 0.31 H new ATOM 0 HA GLU A 604 -2.971 -10.074 0.978 1.00 0.30 H new ATOM 0 HB2 GLU A 604 -3.544 -12.125 3.027 1.00 0.35 H new ATOM 0 HB3 GLU A 604 -3.960 -10.500 3.534 1.00 0.35 H new ATOM 0 HG2 GLU A 604 -5.461 -10.197 1.690 1.00 0.51 H new ATOM 0 HG3 GLU A 604 -4.858 -11.623 0.867 1.00 0.51 H new ATOM 179 N LEU A 605 -1.637 -8.375 2.163 1.00 0.20 N ATOM 180 CA LEU A 605 -0.916 -7.316 2.860 1.00 0.22 C ATOM 181 C LEU A 605 -1.880 -6.415 3.632 1.00 0.19 C ATOM 182 O LEU A 605 -2.782 -5.818 3.049 1.00 0.24 O ATOM 183 CB LEU A 605 -0.112 -6.484 1.859 1.00 0.27 C ATOM 184 CG LEU A 605 1.229 -5.961 2.376 1.00 0.38 C ATOM 185 CD1 LEU A 605 2.131 -7.115 2.783 1.00 1.26 C ATOM 186 CD2 LEU A 605 1.908 -5.102 1.319 1.00 1.04 C ATOM 0 H LEU A 605 -1.964 -8.119 1.231 1.00 0.20 H new ATOM 0 HA LEU A 605 -0.234 -7.779 3.573 1.00 0.22 H new ATOM 0 HB2 LEU A 605 0.070 -7.089 0.971 1.00 0.27 H new ATOM 0 HB3 LEU A 605 -0.719 -5.634 1.546 1.00 0.27 H new ATOM 0 HG LEU A 605 1.042 -5.344 3.255 1.00 0.38 H new ATOM 0 HD11 LEU A 605 3.080 -6.723 3.148 1.00 1.26 H new ATOM 0 HD12 LEU A 605 1.649 -7.693 3.572 1.00 1.26 H new ATOM 0 HD13 LEU A 605 2.311 -7.758 1.921 1.00 1.26 H new ATOM 0 HD21 LEU A 605 2.861 -4.738 1.703 1.00 1.04 H new ATOM 0 HD22 LEU A 605 2.082 -5.698 0.423 1.00 1.04 H new ATOM 0 HD23 LEU A 605 1.268 -4.254 1.073 1.00 1.04 H new ATOM 198 N PRO A 606 -1.702 -6.300 4.961 1.00 0.21 N ATOM 199 CA PRO A 606 -2.567 -5.463 5.797 1.00 0.21 C ATOM 200 C PRO A 606 -2.331 -3.975 5.562 1.00 0.20 C ATOM 201 O PRO A 606 -1.231 -3.468 5.781 1.00 0.34 O ATOM 202 CB PRO A 606 -2.170 -5.851 7.222 1.00 0.28 C ATOM 203 CG PRO A 606 -0.762 -6.321 7.104 1.00 0.44 C ATOM 204 CD PRO A 606 -0.652 -6.972 5.753 1.00 0.33 C ATOM 0 HA PRO A 606 -3.623 -5.622 5.579 1.00 0.21 H new ATOM 0 HB2 PRO A 606 -2.249 -5.002 7.901 1.00 0.28 H new ATOM 0 HB3 PRO A 606 -2.818 -6.634 7.615 1.00 0.28 H new ATOM 0 HG2 PRO A 606 -0.064 -5.488 7.193 1.00 0.44 H new ATOM 0 HG3 PRO A 606 -0.519 -7.027 7.898 1.00 0.44 H new ATOM 0 HD2 PRO A 606 0.336 -6.826 5.316 1.00 0.33 H new ATOM 0 HD3 PRO A 606 -0.819 -8.048 5.811 1.00 0.33 H new ATOM 212 N VAL A 607 -3.373 -3.279 5.119 1.00 0.14 N ATOM 213 CA VAL A 607 -3.285 -1.848 4.859 1.00 0.13 C ATOM 214 C VAL A 607 -4.180 -1.072 5.816 1.00 0.10 C ATOM 215 O VAL A 607 -5.185 -1.594 6.299 1.00 0.11 O ATOM 216 CB VAL A 607 -3.682 -1.499 3.408 1.00 0.18 C ATOM 217 CG1 VAL A 607 -2.484 -0.960 2.643 1.00 0.37 C ATOM 218 CG2 VAL A 607 -4.271 -2.710 2.698 1.00 0.31 C ATOM 0 H VAL A 607 -4.290 -3.685 4.932 1.00 0.14 H new ATOM 0 HA VAL A 607 -2.244 -1.564 5.012 1.00 0.13 H new ATOM 0 HB VAL A 607 -4.447 -0.724 3.443 1.00 0.18 H new ATOM 0 HG11 VAL A 607 -2.782 -0.719 1.623 1.00 0.37 H new ATOM 0 HG12 VAL A 607 -2.113 -0.060 3.134 1.00 0.37 H new ATOM 0 HG13 VAL A 607 -1.696 -1.713 2.623 1.00 0.37 H new ATOM 0 HG21 VAL A 607 -4.542 -2.437 1.678 1.00 0.31 H new ATOM 0 HG22 VAL A 607 -3.534 -3.513 2.675 1.00 0.31 H new ATOM 0 HG23 VAL A 607 -5.159 -3.048 3.232 1.00 0.31 H new ATOM 228 N THR A 608 -3.810 0.173 6.091 1.00 0.11 N ATOM 229 CA THR A 608 -4.582 1.014 6.995 1.00 0.12 C ATOM 230 C THR A 608 -4.579 2.466 6.545 1.00 0.11 C ATOM 231 O THR A 608 -3.614 3.193 6.772 1.00 0.16 O ATOM 232 CB THR A 608 -4.040 0.962 8.430 1.00 0.16 C ATOM 233 OG1 THR A 608 -2.630 1.212 8.432 1.00 0.30 O ATOM 234 CG2 THR A 608 -4.322 -0.383 9.078 1.00 0.34 C ATOM 0 H THR A 608 -2.981 0.621 5.701 1.00 0.11 H new ATOM 0 HA THR A 608 -5.598 0.620 6.974 1.00 0.12 H new ATOM 0 HB THR A 608 -4.548 1.734 9.008 1.00 0.16 H new ATOM 0 HG1 THR A 608 -2.293 1.179 9.352 1.00 0.30 H new ATOM 0 HG21 THR A 608 -3.926 -0.388 10.093 1.00 0.34 H new ATOM 0 HG22 THR A 608 -5.398 -0.554 9.108 1.00 0.34 H new ATOM 0 HG23 THR A 608 -3.845 -1.173 8.499 1.00 0.34 H new ATOM 242 N CYS A 609 -5.668 2.888 5.925 1.00 0.15 N ATOM 243 CA CYS A 609 -5.788 4.263 5.463 1.00 0.17 C ATOM 244 C CYS A 609 -6.710 5.050 6.386 1.00 0.17 C ATOM 245 O CYS A 609 -7.928 4.925 6.312 1.00 0.18 O ATOM 246 CB CYS A 609 -6.329 4.287 4.039 1.00 0.20 C ATOM 247 SG CYS A 609 -6.491 5.943 3.335 1.00 0.67 S ATOM 0 H CYS A 609 -6.480 2.302 5.730 1.00 0.15 H new ATOM 0 HA CYS A 609 -4.802 4.726 5.476 1.00 0.17 H new ATOM 0 HB2 CYS A 609 -5.670 3.697 3.402 1.00 0.20 H new ATOM 0 HB3 CYS A 609 -7.305 3.802 4.025 1.00 0.20 H new ATOM 0 HG CYS A 609 -7.508 5.973 2.526 1.00 0.67 H new ATOM 253 N GLY A 610 -6.122 5.855 7.260 1.00 0.21 N ATOM 254 CA GLY A 610 -6.913 6.634 8.192 1.00 0.23 C ATOM 255 C GLY A 610 -7.739 5.742 9.096 1.00 0.22 C ATOM 256 O GLY A 610 -8.935 5.971 9.281 1.00 0.23 O ATOM 0 H GLY A 610 -5.113 5.983 7.341 1.00 0.21 H new ATOM 0 HA2 GLY A 610 -6.255 7.258 8.797 1.00 0.23 H new ATOM 0 HA3 GLY A 610 -7.571 7.305 7.641 1.00 0.23 H new ATOM 260 N GLU A 611 -7.092 4.707 9.639 1.00 0.25 N ATOM 261 CA GLU A 611 -7.750 3.739 10.518 1.00 0.31 C ATOM 262 C GLU A 611 -8.656 2.818 9.712 1.00 0.28 C ATOM 263 O GLU A 611 -9.247 1.878 10.245 1.00 0.35 O ATOM 264 CB GLU A 611 -8.551 4.450 11.613 1.00 0.37 C ATOM 265 CG GLU A 611 -9.237 3.507 12.587 1.00 1.46 C ATOM 266 CD GLU A 611 -10.739 3.710 12.632 1.00 2.00 C ATOM 267 OE1 GLU A 611 -11.178 4.873 12.761 1.00 2.54 O ATOM 268 OE2 GLU A 611 -11.477 2.706 12.539 1.00 2.48 O ATOM 0 H GLU A 611 -6.102 4.518 9.482 1.00 0.25 H new ATOM 0 HA GLU A 611 -6.978 3.137 10.997 1.00 0.31 H new ATOM 0 HB2 GLU A 611 -7.883 5.107 12.169 1.00 0.37 H new ATOM 0 HB3 GLU A 611 -9.304 5.084 11.145 1.00 0.37 H new ATOM 0 HG2 GLU A 611 -9.021 2.477 12.303 1.00 1.46 H new ATOM 0 HG3 GLU A 611 -8.823 3.656 13.584 1.00 1.46 H new ATOM 275 N VAL A 612 -8.752 3.090 8.418 1.00 0.20 N ATOM 276 CA VAL A 612 -9.578 2.287 7.532 1.00 0.22 C ATOM 277 C VAL A 612 -8.804 1.072 7.031 1.00 0.21 C ATOM 278 O VAL A 612 -8.314 1.053 5.904 1.00 0.30 O ATOM 279 CB VAL A 612 -10.082 3.111 6.332 1.00 0.22 C ATOM 280 CG1 VAL A 612 -10.942 2.256 5.416 1.00 0.27 C ATOM 281 CG2 VAL A 612 -10.856 4.331 6.811 1.00 0.25 C ATOM 0 H VAL A 612 -8.267 3.862 7.960 1.00 0.20 H new ATOM 0 HA VAL A 612 -10.442 1.952 8.106 1.00 0.22 H new ATOM 0 HB VAL A 612 -9.217 3.454 5.764 1.00 0.22 H new ATOM 0 HG11 VAL A 612 -11.287 2.858 4.575 1.00 0.27 H new ATOM 0 HG12 VAL A 612 -10.355 1.416 5.044 1.00 0.27 H new ATOM 0 HG13 VAL A 612 -11.802 1.880 5.971 1.00 0.27 H new ATOM 0 HG21 VAL A 612 -11.205 4.902 5.950 1.00 0.25 H new ATOM 0 HG22 VAL A 612 -11.712 4.009 7.404 1.00 0.25 H new ATOM 0 HG23 VAL A 612 -10.206 4.957 7.422 1.00 0.25 H new ATOM 291 N LYS A 613 -8.690 0.066 7.889 1.00 0.15 N ATOM 292 CA LYS A 613 -7.973 -1.157 7.547 1.00 0.14 C ATOM 293 C LYS A 613 -8.522 -1.789 6.269 1.00 0.15 C ATOM 294 O LYS A 613 -9.595 -1.420 5.789 1.00 0.25 O ATOM 295 CB LYS A 613 -8.066 -2.158 8.697 1.00 0.16 C ATOM 296 CG LYS A 613 -6.724 -2.739 9.100 1.00 0.35 C ATOM 297 CD LYS A 613 -6.867 -3.737 10.231 1.00 0.69 C ATOM 298 CE LYS A 613 -5.507 -4.203 10.710 1.00 1.45 C ATOM 299 NZ LYS A 613 -5.458 -5.679 10.902 1.00 1.76 N ATOM 0 H LYS A 613 -9.086 0.073 8.829 1.00 0.15 H new ATOM 0 HA LYS A 613 -6.930 -0.893 7.374 1.00 0.14 H new ATOM 0 HB2 LYS A 613 -8.515 -1.667 9.560 1.00 0.16 H new ATOM 0 HB3 LYS A 613 -8.733 -2.970 8.409 1.00 0.16 H new ATOM 0 HG2 LYS A 613 -6.264 -3.226 8.240 1.00 0.35 H new ATOM 0 HG3 LYS A 613 -6.055 -1.934 9.406 1.00 0.35 H new ATOM 0 HD2 LYS A 613 -7.413 -3.282 11.057 1.00 0.69 H new ATOM 0 HD3 LYS A 613 -7.453 -4.593 9.895 1.00 0.69 H new ATOM 0 HE2 LYS A 613 -4.747 -3.906 9.987 1.00 1.45 H new ATOM 0 HE3 LYS A 613 -5.264 -3.707 11.650 1.00 1.45 H new ATOM 0 HZ1 LYS A 613 -4.510 -5.955 11.230 1.00 1.76 H new ATOM 0 HZ2 LYS A 613 -6.165 -5.961 11.611 1.00 1.76 H new ATOM 0 HZ3 LYS A 613 -5.664 -6.153 10.000 1.00 1.76 H new ATOM 313 N GLY A 614 -7.773 -2.746 5.726 1.00 0.13 N ATOM 314 CA GLY A 614 -8.188 -3.426 4.510 1.00 0.14 C ATOM 315 C GLY A 614 -7.203 -4.505 4.095 1.00 0.15 C ATOM 316 O GLY A 614 -6.036 -4.466 4.479 1.00 0.24 O ATOM 0 H GLY A 614 -6.882 -3.064 6.108 1.00 0.13 H new ATOM 0 HA2 GLY A 614 -9.171 -3.872 4.662 1.00 0.14 H new ATOM 0 HA3 GLY A 614 -8.289 -2.699 3.705 1.00 0.14 H new ATOM 320 N THR A 615 -7.675 -5.474 3.314 1.00 0.15 N ATOM 321 CA THR A 615 -6.824 -6.571 2.856 1.00 0.16 C ATOM 322 C THR A 615 -6.312 -6.324 1.439 1.00 0.14 C ATOM 323 O THR A 615 -7.094 -6.226 0.497 1.00 0.17 O ATOM 324 CB THR A 615 -7.574 -7.915 2.887 1.00 0.20 C ATOM 325 OG1 THR A 615 -8.977 -7.691 3.066 1.00 0.44 O ATOM 326 CG2 THR A 615 -7.049 -8.799 4.008 1.00 0.42 C ATOM 0 H THR A 615 -8.639 -5.523 2.985 1.00 0.15 H new ATOM 0 HA THR A 615 -5.978 -6.616 3.542 1.00 0.16 H new ATOM 0 HB THR A 615 -7.408 -8.421 1.936 1.00 0.20 H new ATOM 0 HG1 THR A 615 -9.446 -8.551 3.083 1.00 0.44 H new ATOM 0 HG21 THR A 615 -7.593 -9.744 4.012 1.00 0.42 H new ATOM 0 HG22 THR A 615 -5.988 -8.992 3.852 1.00 0.42 H new ATOM 0 HG23 THR A 615 -7.190 -8.296 4.965 1.00 0.42 H new ATOM 334 N LEU A 616 -4.994 -6.226 1.300 1.00 0.14 N ATOM 335 CA LEU A 616 -4.373 -5.987 0.001 1.00 0.16 C ATOM 336 C LEU A 616 -4.044 -7.300 -0.706 1.00 0.15 C ATOM 337 O LEU A 616 -3.404 -8.183 -0.134 1.00 0.18 O ATOM 338 CB LEU A 616 -3.106 -5.150 0.164 1.00 0.21 C ATOM 339 CG LEU A 616 -2.505 -4.623 -1.138 1.00 0.22 C ATOM 340 CD1 LEU A 616 -2.357 -3.110 -1.087 1.00 0.38 C ATOM 341 CD2 LEU A 616 -1.163 -5.286 -1.405 1.00 0.40 C ATOM 0 H LEU A 616 -4.333 -6.309 2.073 1.00 0.14 H new ATOM 0 HA LEU A 616 -5.087 -5.439 -0.614 1.00 0.16 H new ATOM 0 HB2 LEU A 616 -3.330 -4.302 0.812 1.00 0.21 H new ATOM 0 HB3 LEU A 616 -2.355 -5.752 0.675 1.00 0.21 H new ATOM 0 HG LEU A 616 -3.181 -4.869 -1.957 1.00 0.22 H new ATOM 0 HD11 LEU A 616 -1.927 -2.755 -2.024 1.00 0.38 H new ATOM 0 HD12 LEU A 616 -3.336 -2.653 -0.941 1.00 0.38 H new ATOM 0 HD13 LEU A 616 -1.702 -2.836 -0.260 1.00 0.38 H new ATOM 0 HD21 LEU A 616 -0.746 -4.901 -2.336 1.00 0.40 H new ATOM 0 HD22 LEU A 616 -0.480 -5.068 -0.584 1.00 0.40 H new ATOM 0 HD23 LEU A 616 -1.300 -6.364 -1.487 1.00 0.40 H new ATOM 353 N TYR A 617 -4.483 -7.419 -1.957 1.00 0.14 N ATOM 354 CA TYR A 617 -4.238 -8.617 -2.750 1.00 0.16 C ATOM 355 C TYR A 617 -2.972 -8.463 -3.590 1.00 0.21 C ATOM 356 O TYR A 617 -2.809 -7.477 -4.310 1.00 0.22 O ATOM 357 CB TYR A 617 -5.439 -8.909 -3.656 1.00 0.16 C ATOM 358 CG TYR A 617 -6.485 -9.788 -3.007 1.00 0.20 C ATOM 359 CD1 TYR A 617 -7.088 -9.417 -1.811 1.00 0.29 C ATOM 360 CD2 TYR A 617 -6.871 -10.989 -3.591 1.00 0.31 C ATOM 361 CE1 TYR A 617 -8.045 -10.218 -1.216 1.00 0.34 C ATOM 362 CE2 TYR A 617 -7.827 -11.794 -3.002 1.00 0.37 C ATOM 363 CZ TYR A 617 -8.409 -11.406 -1.811 1.00 0.34 C ATOM 364 OH TYR A 617 -9.363 -12.204 -1.225 1.00 0.43 O ATOM 0 H TYR A 617 -5.013 -6.696 -2.443 1.00 0.14 H new ATOM 0 HA TYR A 617 -4.098 -9.455 -2.067 1.00 0.16 H new ATOM 0 HB2 TYR A 617 -5.900 -7.966 -3.950 1.00 0.16 H new ATOM 0 HB3 TYR A 617 -5.087 -9.390 -4.569 1.00 0.16 H new ATOM 0 HD1 TYR A 617 -6.804 -8.488 -1.339 1.00 0.29 H new ATOM 0 HD2 TYR A 617 -6.416 -11.298 -4.521 1.00 0.31 H new ATOM 0 HE1 TYR A 617 -8.506 -9.913 -0.288 1.00 0.34 H new ATOM 0 HE2 TYR A 617 -8.118 -12.722 -3.471 1.00 0.37 H new ATOM 0 HH TYR A 617 -9.503 -13.004 -1.774 1.00 0.43 H new ATOM 374 N LYS A 618 -2.073 -9.438 -3.482 1.00 0.27 N ATOM 375 CA LYS A 618 -0.812 -9.408 -4.219 1.00 0.34 C ATOM 376 C LYS A 618 -1.038 -9.544 -5.725 1.00 0.33 C ATOM 377 O LYS A 618 -0.305 -8.960 -6.522 1.00 0.37 O ATOM 378 CB LYS A 618 0.111 -10.526 -3.730 1.00 0.44 C ATOM 379 CG LYS A 618 1.080 -10.085 -2.643 1.00 0.80 C ATOM 380 CD LYS A 618 0.348 -9.656 -1.381 1.00 1.13 C ATOM 381 CE LYS A 618 1.297 -9.037 -0.370 1.00 1.56 C ATOM 382 NZ LYS A 618 1.379 -9.843 0.880 1.00 2.48 N ATOM 0 H LYS A 618 -2.194 -10.260 -2.890 1.00 0.27 H new ATOM 0 HA LYS A 618 -0.343 -8.442 -4.034 1.00 0.34 H new ATOM 0 HB2 LYS A 618 -0.497 -11.348 -3.352 1.00 0.44 H new ATOM 0 HB3 LYS A 618 0.679 -10.913 -4.576 1.00 0.44 H new ATOM 0 HG2 LYS A 618 1.762 -10.903 -2.409 1.00 0.80 H new ATOM 0 HG3 LYS A 618 1.688 -9.258 -3.010 1.00 0.80 H new ATOM 0 HD2 LYS A 618 -0.431 -8.938 -1.637 1.00 1.13 H new ATOM 0 HD3 LYS A 618 -0.148 -10.519 -0.936 1.00 1.13 H new ATOM 0 HE2 LYS A 618 2.290 -8.949 -0.811 1.00 1.56 H new ATOM 0 HE3 LYS A 618 0.964 -8.027 -0.130 1.00 1.56 H new ATOM 0 HZ1 LYS A 618 1.807 -9.270 1.635 1.00 2.48 H new ATOM 0 HZ2 LYS A 618 0.423 -10.136 1.167 1.00 2.48 H new ATOM 0 HZ3 LYS A 618 1.964 -10.686 0.711 1.00 2.48 H new ATOM 396 N GLU A 619 -2.049 -10.320 -6.107 1.00 0.31 N ATOM 397 CA GLU A 619 -2.364 -10.534 -7.516 1.00 0.34 C ATOM 398 C GLU A 619 -2.599 -9.212 -8.238 1.00 0.30 C ATOM 399 O GLU A 619 -2.512 -9.138 -9.463 1.00 0.34 O ATOM 400 CB GLU A 619 -3.600 -11.424 -7.656 1.00 0.35 C ATOM 401 CG GLU A 619 -3.783 -12.414 -6.517 1.00 1.04 C ATOM 402 CD GLU A 619 -4.697 -13.564 -6.890 1.00 1.45 C ATOM 403 OE1 GLU A 619 -4.322 -14.356 -7.779 1.00 2.07 O ATOM 404 OE2 GLU A 619 -5.788 -13.674 -6.291 1.00 1.68 O ATOM 0 H GLU A 619 -2.665 -10.812 -5.459 1.00 0.31 H new ATOM 0 HA GLU A 619 -1.508 -11.029 -7.975 1.00 0.34 H new ATOM 0 HB2 GLU A 619 -4.485 -10.791 -7.719 1.00 0.35 H new ATOM 0 HB3 GLU A 619 -3.534 -11.974 -8.595 1.00 0.35 H new ATOM 0 HG2 GLU A 619 -2.810 -12.808 -6.222 1.00 1.04 H new ATOM 0 HG3 GLU A 619 -4.193 -11.895 -5.651 1.00 1.04 H new ATOM 411 N ARG A 620 -2.896 -8.170 -7.470 1.00 0.25 N ATOM 412 CA ARG A 620 -3.144 -6.851 -8.035 1.00 0.25 C ATOM 413 C ARG A 620 -2.088 -5.858 -7.560 1.00 0.27 C ATOM 414 O ARG A 620 -1.837 -4.845 -8.212 1.00 0.29 O ATOM 415 CB ARG A 620 -4.541 -6.362 -7.650 1.00 0.25 C ATOM 416 CG ARG A 620 -5.656 -7.018 -8.451 1.00 0.38 C ATOM 417 CD ARG A 620 -6.331 -8.130 -7.662 1.00 0.55 C ATOM 418 NE ARG A 620 -6.992 -9.097 -8.535 1.00 0.88 N ATOM 419 CZ ARG A 620 -8.134 -8.858 -9.173 1.00 0.95 C ATOM 420 NH1 ARG A 620 -8.737 -7.683 -9.044 1.00 1.77 N ATOM 421 NH2 ARG A 620 -8.675 -9.794 -9.942 1.00 1.17 N ATOM 0 H ARG A 620 -2.971 -8.214 -6.454 1.00 0.25 H new ATOM 0 HA ARG A 620 -3.086 -6.925 -9.121 1.00 0.25 H new ATOM 0 HB2 ARG A 620 -4.705 -6.554 -6.590 1.00 0.25 H new ATOM 0 HB3 ARG A 620 -4.591 -5.282 -7.790 1.00 0.25 H new ATOM 0 HG2 ARG A 620 -6.396 -6.267 -8.729 1.00 0.38 H new ATOM 0 HG3 ARG A 620 -5.250 -7.423 -9.378 1.00 0.38 H new ATOM 0 HD2 ARG A 620 -5.589 -8.642 -7.050 1.00 0.55 H new ATOM 0 HD3 ARG A 620 -7.063 -7.698 -6.980 1.00 0.55 H new ATOM 0 HE ARG A 620 -6.552 -10.008 -8.663 1.00 0.88 H new ATOM 0 HH11 ARG A 620 -8.325 -6.960 -8.454 1.00 1.77 H new ATOM 0 HH12 ARG A 620 -9.613 -7.503 -9.535 1.00 1.77 H new ATOM 0 HH21 ARG A 620 -8.215 -10.699 -10.045 1.00 1.17 H new ATOM 0 HH22 ARG A 620 -9.551 -9.609 -10.431 1.00 1.17 H new ATOM 435 N PHE A 621 -1.477 -6.158 -6.417 1.00 0.31 N ATOM 436 CA PHE A 621 -0.446 -5.297 -5.844 1.00 0.38 C ATOM 437 C PHE A 621 0.705 -5.089 -6.824 1.00 0.33 C ATOM 438 O PHE A 621 1.414 -4.084 -6.757 1.00 0.34 O ATOM 439 CB PHE A 621 0.082 -5.905 -4.541 1.00 0.53 C ATOM 440 CG PHE A 621 1.171 -5.097 -3.886 1.00 0.75 C ATOM 441 CD1 PHE A 621 1.034 -3.727 -3.714 1.00 0.87 C ATOM 442 CD2 PHE A 621 2.330 -5.711 -3.439 1.00 0.96 C ATOM 443 CE1 PHE A 621 2.033 -2.988 -3.110 1.00 1.13 C ATOM 444 CE2 PHE A 621 3.332 -4.976 -2.834 1.00 1.21 C ATOM 445 CZ PHE A 621 3.183 -3.613 -2.670 1.00 1.27 C ATOM 0 H PHE A 621 -1.679 -6.993 -5.868 1.00 0.31 H new ATOM 0 HA PHE A 621 -0.895 -4.326 -5.634 1.00 0.38 H new ATOM 0 HB2 PHE A 621 -0.746 -6.014 -3.841 1.00 0.53 H new ATOM 0 HB3 PHE A 621 0.460 -6.907 -4.746 1.00 0.53 H new ATOM 0 HD1 PHE A 621 0.137 -3.233 -4.056 1.00 0.87 H new ATOM 0 HD2 PHE A 621 2.452 -6.777 -3.565 1.00 0.96 H new ATOM 0 HE1 PHE A 621 1.915 -1.922 -2.982 1.00 1.13 H new ATOM 0 HE2 PHE A 621 4.230 -5.467 -2.490 1.00 1.21 H new ATOM 0 HZ PHE A 621 3.965 -3.037 -2.198 1.00 1.27 H new ATOM 455 N LYS A 622 0.886 -6.043 -7.734 1.00 0.33 N ATOM 456 CA LYS A 622 1.955 -5.957 -8.726 1.00 0.39 C ATOM 457 C LYS A 622 1.804 -4.704 -9.584 1.00 0.38 C ATOM 458 O LYS A 622 2.731 -4.309 -10.293 1.00 0.48 O ATOM 459 CB LYS A 622 1.976 -7.205 -9.615 1.00 0.48 C ATOM 460 CG LYS A 622 0.600 -7.679 -10.060 1.00 1.26 C ATOM 461 CD LYS A 622 0.517 -9.197 -10.079 1.00 2.09 C ATOM 462 CE LYS A 622 1.071 -9.770 -11.372 1.00 2.24 C ATOM 463 NZ LYS A 622 1.210 -11.251 -11.308 1.00 2.99 N ATOM 0 H LYS A 622 0.309 -6.881 -7.805 1.00 0.33 H new ATOM 0 HA LYS A 622 2.902 -5.896 -8.189 1.00 0.39 H new ATOM 0 HB2 LYS A 622 2.579 -6.997 -10.499 1.00 0.48 H new ATOM 0 HB3 LYS A 622 2.469 -8.013 -9.075 1.00 0.48 H new ATOM 0 HG2 LYS A 622 -0.159 -7.280 -9.388 1.00 1.26 H new ATOM 0 HG3 LYS A 622 0.383 -7.288 -11.054 1.00 1.26 H new ATOM 0 HD2 LYS A 622 1.072 -9.603 -9.233 1.00 2.09 H new ATOM 0 HD3 LYS A 622 -0.521 -9.507 -9.958 1.00 2.09 H new ATOM 0 HE2 LYS A 622 0.413 -9.502 -12.199 1.00 2.24 H new ATOM 0 HE3 LYS A 622 2.043 -9.323 -11.580 1.00 2.24 H new ATOM 0 HZ1 LYS A 622 1.591 -11.603 -12.209 1.00 2.99 H new ATOM 0 HZ2 LYS A 622 1.858 -11.506 -10.535 1.00 2.99 H new ATOM 0 HZ3 LYS A 622 0.279 -11.680 -11.135 1.00 2.99 H new ATOM 477 N GLN A 623 0.633 -4.077 -9.512 1.00 0.35 N ATOM 478 CA GLN A 623 0.363 -2.863 -10.275 1.00 0.46 C ATOM 479 C GLN A 623 0.156 -1.672 -9.342 1.00 0.49 C ATOM 480 O GLN A 623 0.207 -0.519 -9.770 1.00 0.63 O ATOM 481 CB GLN A 623 -0.868 -3.053 -11.166 1.00 0.55 C ATOM 482 CG GLN A 623 -1.099 -4.495 -11.593 1.00 0.68 C ATOM 483 CD GLN A 623 -1.053 -4.673 -13.098 1.00 0.92 C ATOM 484 OE1 GLN A 623 -0.380 -3.922 -13.804 1.00 1.48 O ATOM 485 NE2 GLN A 623 -1.770 -5.673 -13.596 1.00 1.27 N ATOM 0 H GLN A 623 -0.145 -4.391 -8.932 1.00 0.35 H new ATOM 0 HA GLN A 623 1.227 -2.661 -10.908 1.00 0.46 H new ATOM 0 HB2 GLN A 623 -1.749 -2.696 -10.633 1.00 0.55 H new ATOM 0 HB3 GLN A 623 -0.760 -2.433 -12.056 1.00 0.55 H new ATOM 0 HG2 GLN A 623 -0.344 -5.132 -11.133 1.00 0.68 H new ATOM 0 HG3 GLN A 623 -2.067 -4.829 -11.221 1.00 0.68 H new ATOM 0 HE21 GLN A 623 -2.313 -6.271 -12.973 1.00 1.27 H new ATOM 0 HE22 GLN A 623 -1.778 -5.844 -14.602 1.00 1.27 H new ATOM 494 N GLY A 624 -0.071 -1.962 -8.063 1.00 0.42 N ATOM 495 CA GLY A 624 -0.275 -0.911 -7.080 1.00 0.47 C ATOM 496 C GLY A 624 -1.489 -0.048 -7.375 1.00 0.66 C ATOM 497 O GLY A 624 -2.601 -0.556 -7.513 1.00 1.40 O ATOM 0 H GLY A 624 -0.117 -2.910 -7.689 1.00 0.42 H new ATOM 0 HA2 GLY A 624 -0.387 -1.361 -6.094 1.00 0.47 H new ATOM 0 HA3 GLY A 624 0.612 -0.279 -7.043 1.00 0.47 H new ATOM 501 N THR A 625 -1.271 1.262 -7.455 1.00 0.31 N ATOM 502 CA THR A 625 -2.347 2.214 -7.719 1.00 0.32 C ATOM 503 C THR A 625 -3.012 1.974 -9.075 1.00 0.34 C ATOM 504 O THR A 625 -4.047 2.569 -9.376 1.00 0.61 O ATOM 505 CB THR A 625 -1.829 3.665 -7.671 1.00 0.34 C ATOM 506 OG1 THR A 625 -2.926 4.582 -7.764 1.00 0.91 O ATOM 507 CG2 THR A 625 -0.847 3.927 -8.804 1.00 0.76 C ATOM 0 H THR A 625 -0.353 1.691 -7.340 1.00 0.31 H new ATOM 0 HA THR A 625 -3.088 2.060 -6.935 1.00 0.32 H new ATOM 0 HB THR A 625 -1.313 3.811 -6.722 1.00 0.34 H new ATOM 0 HG1 THR A 625 -3.678 4.147 -8.217 1.00 0.91 H new ATOM 0 HG21 THR A 625 -0.495 4.957 -8.750 1.00 0.76 H new ATOM 0 HG22 THR A 625 0.001 3.249 -8.714 1.00 0.76 H new ATOM 0 HG23 THR A 625 -1.343 3.763 -9.761 1.00 0.76 H new ATOM 515 N SER A 626 -2.415 1.112 -9.891 1.00 0.37 N ATOM 516 CA SER A 626 -2.964 0.819 -11.212 1.00 0.37 C ATOM 517 C SER A 626 -3.935 -0.357 -11.165 1.00 0.31 C ATOM 518 O SER A 626 -4.473 -0.763 -12.194 1.00 0.31 O ATOM 519 CB SER A 626 -1.835 0.521 -12.200 1.00 0.43 C ATOM 520 OG SER A 626 -2.254 0.746 -13.535 1.00 0.92 O ATOM 0 H SER A 626 -1.558 0.607 -9.665 1.00 0.37 H new ATOM 0 HA SER A 626 -3.514 1.699 -11.545 1.00 0.37 H new ATOM 0 HB2 SER A 626 -0.974 1.151 -11.974 1.00 0.43 H new ATOM 0 HB3 SER A 626 -1.512 -0.514 -12.086 1.00 0.43 H new ATOM 0 HG SER A 626 -3.129 0.328 -13.678 1.00 0.92 H new ATOM 526 N LYS A 627 -4.158 -0.895 -9.970 1.00 0.30 N ATOM 527 CA LYS A 627 -5.068 -2.022 -9.794 1.00 0.31 C ATOM 528 C LYS A 627 -5.558 -2.110 -8.352 1.00 0.32 C ATOM 529 O LYS A 627 -4.762 -2.110 -7.415 1.00 0.47 O ATOM 530 CB LYS A 627 -4.375 -3.331 -10.181 1.00 0.36 C ATOM 531 CG LYS A 627 -4.472 -3.658 -11.662 1.00 0.41 C ATOM 532 CD LYS A 627 -5.880 -4.081 -12.052 1.00 0.86 C ATOM 533 CE LYS A 627 -6.347 -3.370 -13.312 1.00 1.24 C ATOM 534 NZ LYS A 627 -7.828 -3.215 -13.346 1.00 1.87 N ATOM 0 H LYS A 627 -3.721 -0.568 -9.108 1.00 0.30 H new ATOM 0 HA LYS A 627 -5.928 -1.862 -10.445 1.00 0.31 H new ATOM 0 HB2 LYS A 627 -3.324 -3.273 -9.899 1.00 0.36 H new ATOM 0 HB3 LYS A 627 -4.814 -4.148 -9.608 1.00 0.36 H new ATOM 0 HG2 LYS A 627 -4.178 -2.787 -12.247 1.00 0.41 H new ATOM 0 HG3 LYS A 627 -3.771 -4.457 -11.905 1.00 0.41 H new ATOM 0 HD2 LYS A 627 -5.906 -5.159 -12.210 1.00 0.86 H new ATOM 0 HD3 LYS A 627 -6.566 -3.862 -11.234 1.00 0.86 H new ATOM 0 HE2 LYS A 627 -5.878 -2.388 -13.370 1.00 1.24 H new ATOM 0 HE3 LYS A 627 -6.021 -3.931 -14.188 1.00 1.24 H new ATOM 0 HZ1 LYS A 627 -8.106 -2.726 -14.221 1.00 1.87 H new ATOM 0 HZ2 LYS A 627 -8.276 -4.153 -13.317 1.00 1.87 H new ATOM 0 HZ3 LYS A 627 -8.138 -2.658 -12.524 1.00 1.87 H new ATOM 548 N LYS A 628 -6.875 -2.191 -8.181 1.00 0.28 N ATOM 549 CA LYS A 628 -7.464 -2.285 -6.852 1.00 0.29 C ATOM 550 C LYS A 628 -7.161 -3.644 -6.226 1.00 0.28 C ATOM 551 O LYS A 628 -7.183 -4.671 -6.904 1.00 0.45 O ATOM 552 CB LYS A 628 -8.977 -2.047 -6.921 1.00 0.32 C ATOM 553 CG LYS A 628 -9.809 -3.317 -7.013 1.00 1.00 C ATOM 554 CD LYS A 628 -9.826 -3.873 -8.427 1.00 1.24 C ATOM 555 CE LYS A 628 -10.940 -3.253 -9.256 1.00 1.55 C ATOM 556 NZ LYS A 628 -11.619 -4.259 -10.117 1.00 2.32 N ATOM 0 H LYS A 628 -7.551 -2.193 -8.945 1.00 0.28 H new ATOM 0 HA LYS A 628 -7.022 -1.513 -6.222 1.00 0.29 H new ATOM 0 HB2 LYS A 628 -9.285 -1.488 -6.037 1.00 0.32 H new ATOM 0 HB3 LYS A 628 -9.195 -1.421 -7.786 1.00 0.32 H new ATOM 0 HG2 LYS A 628 -9.407 -4.066 -6.331 1.00 1.00 H new ATOM 0 HG3 LYS A 628 -10.829 -3.108 -6.691 1.00 1.00 H new ATOM 0 HD2 LYS A 628 -8.865 -3.682 -8.906 1.00 1.24 H new ATOM 0 HD3 LYS A 628 -9.956 -4.955 -8.392 1.00 1.24 H new ATOM 0 HE2 LYS A 628 -11.671 -2.791 -8.593 1.00 1.55 H new ATOM 0 HE3 LYS A 628 -10.529 -2.460 -9.880 1.00 1.55 H new ATOM 0 HZ1 LYS A 628 -12.371 -3.795 -10.665 1.00 2.32 H new ATOM 0 HZ2 LYS A 628 -10.927 -4.683 -10.768 1.00 2.32 H new ATOM 0 HZ3 LYS A 628 -12.034 -5.003 -9.520 1.00 2.32 H new ATOM 570 N CYS A 629 -6.870 -3.641 -4.930 1.00 0.18 N ATOM 571 CA CYS A 629 -6.558 -4.876 -4.221 1.00 0.17 C ATOM 572 C CYS A 629 -6.889 -4.766 -2.735 1.00 0.16 C ATOM 573 O CYS A 629 -6.635 -5.693 -1.971 1.00 0.17 O ATOM 574 CB CYS A 629 -5.079 -5.223 -4.395 1.00 0.20 C ATOM 575 SG CYS A 629 -3.970 -3.798 -4.292 1.00 0.33 S ATOM 0 H CYS A 629 -6.844 -2.801 -4.351 1.00 0.18 H new ATOM 0 HA CYS A 629 -7.172 -5.669 -4.649 1.00 0.17 H new ATOM 0 HB2 CYS A 629 -4.794 -5.947 -3.632 1.00 0.20 H new ATOM 0 HB3 CYS A 629 -4.942 -5.708 -5.362 1.00 0.20 H new ATOM 0 HG CYS A 629 -4.099 -3.070 -5.361 1.00 0.33 H new ATOM 581 N ILE A 630 -7.458 -3.635 -2.332 1.00 0.16 N ATOM 582 CA ILE A 630 -7.816 -3.424 -0.935 1.00 0.18 C ATOM 583 C ILE A 630 -9.276 -3.782 -0.679 1.00 0.18 C ATOM 584 O ILE A 630 -10.184 -3.108 -1.161 1.00 0.21 O ATOM 585 CB ILE A 630 -7.567 -1.963 -0.503 1.00 0.21 C ATOM 586 CG1 ILE A 630 -6.073 -1.715 -0.297 1.00 0.22 C ATOM 587 CG2 ILE A 630 -8.334 -1.643 0.772 1.00 0.29 C ATOM 588 CD1 ILE A 630 -5.381 -1.134 -1.512 1.00 0.31 C ATOM 0 H ILE A 630 -7.680 -2.854 -2.950 1.00 0.16 H new ATOM 0 HA ILE A 630 -7.178 -4.081 -0.343 1.00 0.18 H new ATOM 0 HB ILE A 630 -7.924 -1.306 -1.296 1.00 0.21 H new ATOM 0 HG12 ILE A 630 -5.939 -1.037 0.546 1.00 0.22 H new ATOM 0 HG13 ILE A 630 -5.591 -2.655 -0.030 1.00 0.22 H new ATOM 0 HG21 ILE A 630 -8.145 -0.609 1.060 1.00 0.29 H new ATOM 0 HG22 ILE A 630 -9.401 -1.783 0.599 1.00 0.29 H new ATOM 0 HG23 ILE A 630 -8.005 -2.308 1.571 1.00 0.29 H new ATOM 0 HD11 ILE A 630 -4.324 -0.985 -1.292 1.00 0.31 H new ATOM 0 HD12 ILE A 630 -5.483 -1.821 -2.352 1.00 0.31 H new ATOM 0 HD13 ILE A 630 -5.837 -0.177 -1.768 1.00 0.31 H new ATOM 600 N GLN A 631 -9.492 -4.840 0.093 1.00 0.23 N ATOM 601 CA GLN A 631 -10.838 -5.279 0.424 1.00 0.27 C ATOM 602 C GLN A 631 -11.277 -4.682 1.755 1.00 0.29 C ATOM 603 O GLN A 631 -10.713 -4.997 2.803 1.00 0.34 O ATOM 604 CB GLN A 631 -10.903 -6.805 0.487 1.00 0.35 C ATOM 605 CG GLN A 631 -12.302 -7.343 0.738 1.00 0.41 C ATOM 606 CD GLN A 631 -12.370 -8.856 0.647 1.00 0.60 C ATOM 607 OE1 GLN A 631 -11.407 -9.511 0.247 1.00 1.15 O ATOM 608 NE2 GLN A 631 -13.512 -9.420 1.018 1.00 0.77 N ATOM 0 H GLN A 631 -8.750 -5.409 0.501 1.00 0.23 H new ATOM 0 HA GLN A 631 -11.515 -4.933 -0.357 1.00 0.27 H new ATOM 0 HB2 GLN A 631 -10.527 -7.216 -0.450 1.00 0.35 H new ATOM 0 HB3 GLN A 631 -10.240 -7.157 1.278 1.00 0.35 H new ATOM 0 HG2 GLN A 631 -12.637 -7.027 1.726 1.00 0.41 H new ATOM 0 HG3 GLN A 631 -12.990 -6.908 0.013 1.00 0.41 H new ATOM 0 HE21 GLN A 631 -14.285 -8.840 1.343 1.00 0.77 H new ATOM 0 HE22 GLN A 631 -13.617 -10.434 0.978 1.00 0.77 H new ATOM 617 N SER A 632 -12.282 -3.816 1.706 1.00 0.28 N ATOM 618 CA SER A 632 -12.790 -3.174 2.908 1.00 0.32 C ATOM 619 C SER A 632 -14.296 -3.362 3.035 1.00 0.56 C ATOM 620 O SER A 632 -14.959 -3.791 2.091 1.00 0.83 O ATOM 621 CB SER A 632 -12.455 -1.681 2.896 1.00 0.70 C ATOM 622 OG SER A 632 -11.809 -1.293 4.096 1.00 1.80 O ATOM 0 H SER A 632 -12.760 -3.544 0.847 1.00 0.28 H new ATOM 0 HA SER A 632 -12.309 -3.644 3.766 1.00 0.32 H new ATOM 0 HB2 SER A 632 -11.813 -1.456 2.045 1.00 0.70 H new ATOM 0 HB3 SER A 632 -13.369 -1.101 2.768 1.00 0.70 H new ATOM 0 HG SER A 632 -10.916 -1.695 4.132 1.00 1.80 H new ATOM 677 N LYS A 636 -15.817 -4.981 -0.612 1.00 0.37 N ATOM 678 CA LYS A 636 -15.649 -3.857 -1.528 1.00 0.37 C ATOM 679 C LYS A 636 -14.172 -3.542 -1.734 1.00 0.31 C ATOM 680 O LYS A 636 -13.488 -3.098 -0.814 1.00 0.36 O ATOM 681 CB LYS A 636 -16.379 -2.621 -0.996 1.00 0.51 C ATOM 682 CG LYS A 636 -17.546 -2.185 -1.866 1.00 0.90 C ATOM 683 CD LYS A 636 -17.102 -1.222 -2.957 1.00 0.81 C ATOM 684 CE LYS A 636 -17.951 -1.375 -4.209 1.00 1.13 C ATOM 685 NZ LYS A 636 -19.105 -0.433 -4.216 1.00 1.60 N ATOM 0 HA LYS A 636 -16.081 -4.136 -2.489 1.00 0.37 H new ATOM 0 HB2 LYS A 636 -16.744 -2.829 0.010 1.00 0.51 H new ATOM 0 HB3 LYS A 636 -15.670 -1.797 -0.914 1.00 0.51 H new ATOM 0 HG2 LYS A 636 -18.010 -3.061 -2.320 1.00 0.90 H new ATOM 0 HG3 LYS A 636 -18.305 -1.708 -1.246 1.00 0.90 H new ATOM 0 HD2 LYS A 636 -17.172 -0.198 -2.591 1.00 0.81 H new ATOM 0 HD3 LYS A 636 -16.055 -1.403 -3.201 1.00 0.81 H new ATOM 0 HE2 LYS A 636 -17.334 -1.199 -5.090 1.00 1.13 H new ATOM 0 HE3 LYS A 636 -18.318 -2.399 -4.276 1.00 1.13 H new ATOM 0 HZ1 LYS A 636 -19.659 -0.569 -5.086 1.00 1.60 H new ATOM 0 HZ2 LYS A 636 -19.708 -0.617 -3.389 1.00 1.60 H new ATOM 0 HZ3 LYS A 636 -18.755 0.545 -4.178 1.00 1.60 H new ATOM 699 N TRP A 637 -13.685 -3.784 -2.946 1.00 0.25 N ATOM 700 CA TRP A 637 -12.284 -3.537 -3.270 1.00 0.21 C ATOM 701 C TRP A 637 -12.083 -2.115 -3.785 1.00 0.22 C ATOM 702 O TRP A 637 -12.868 -1.618 -4.593 1.00 0.26 O ATOM 703 CB TRP A 637 -11.788 -4.554 -4.306 1.00 0.22 C ATOM 704 CG TRP A 637 -11.944 -5.985 -3.872 1.00 0.27 C ATOM 705 CD1 TRP A 637 -12.865 -6.486 -2.993 1.00 0.38 C ATOM 706 CD2 TRP A 637 -11.154 -7.100 -4.299 1.00 0.33 C ATOM 707 NE1 TRP A 637 -12.694 -7.840 -2.850 1.00 0.42 N ATOM 708 CE2 TRP A 637 -11.650 -8.241 -3.641 1.00 0.39 C ATOM 709 CE3 TRP A 637 -10.075 -7.245 -5.176 1.00 0.46 C ATOM 710 CZ2 TRP A 637 -11.104 -9.508 -3.832 1.00 0.49 C ATOM 711 CZ3 TRP A 637 -9.533 -8.502 -5.364 1.00 0.60 C ATOM 712 CH2 TRP A 637 -10.049 -9.619 -4.695 1.00 0.60 C ATOM 0 H TRP A 637 -14.239 -4.151 -3.720 1.00 0.25 H new ATOM 0 HA TRP A 637 -11.700 -3.652 -2.357 1.00 0.21 H new ATOM 0 HB2 TRP A 637 -12.333 -4.405 -5.238 1.00 0.22 H new ATOM 0 HB3 TRP A 637 -10.736 -4.360 -4.517 1.00 0.22 H new ATOM 0 HD1 TRP A 637 -13.617 -5.901 -2.485 1.00 0.38 H new ATOM 0 HE1 TRP A 637 -13.253 -8.449 -2.252 1.00 0.42 H new ATOM 0 HE3 TRP A 637 -9.672 -6.389 -5.698 1.00 0.46 H new ATOM 0 HZ2 TRP A 637 -11.499 -10.371 -3.317 1.00 0.49 H new ATOM 0 HZ3 TRP A 637 -8.698 -8.625 -6.038 1.00 0.60 H new ATOM 0 HH2 TRP A 637 -9.604 -10.589 -4.864 1.00 0.60 H new ATOM 723 N PHE A 638 -11.023 -1.468 -3.307 1.00 0.24 N ATOM 724 CA PHE A 638 -10.708 -0.102 -3.708 1.00 0.30 C ATOM 725 C PHE A 638 -9.246 0.016 -4.126 1.00 0.27 C ATOM 726 O PHE A 638 -8.418 -0.819 -3.763 1.00 0.29 O ATOM 727 CB PHE A 638 -10.980 0.869 -2.555 1.00 0.41 C ATOM 728 CG PHE A 638 -12.438 1.086 -2.262 1.00 0.29 C ATOM 729 CD1 PHE A 638 -13.151 0.162 -1.515 1.00 0.62 C ATOM 730 CD2 PHE A 638 -13.098 2.206 -2.741 1.00 0.76 C ATOM 731 CE1 PHE A 638 -14.493 0.351 -1.250 1.00 0.69 C ATOM 732 CE2 PHE A 638 -14.441 2.401 -2.481 1.00 0.87 C ATOM 733 CZ PHE A 638 -15.130 1.502 -1.706 1.00 0.59 C ATOM 0 H PHE A 638 -10.366 -1.871 -2.639 1.00 0.24 H new ATOM 0 HA PHE A 638 -11.344 0.152 -4.556 1.00 0.30 H new ATOM 0 HB2 PHE A 638 -10.492 0.493 -1.656 1.00 0.41 H new ATOM 0 HB3 PHE A 638 -10.521 1.830 -2.788 1.00 0.41 H new ATOM 0 HD1 PHE A 638 -12.651 -0.717 -1.135 1.00 0.62 H new ATOM 0 HD2 PHE A 638 -12.556 2.936 -3.325 1.00 0.76 H new ATOM 0 HE1 PHE A 638 -15.046 -0.390 -0.692 1.00 0.69 H new ATOM 0 HE2 PHE A 638 -14.949 3.262 -2.888 1.00 0.87 H new ATOM 0 HZ PHE A 638 -16.163 1.687 -1.451 1.00 0.59 H new ATOM 743 N THR A 639 -8.933 1.071 -4.872 1.00 0.25 N ATOM 744 CA THR A 639 -7.567 1.315 -5.319 1.00 0.25 C ATOM 745 C THR A 639 -6.861 2.241 -4.335 1.00 0.22 C ATOM 746 O THR A 639 -7.519 2.981 -3.611 1.00 0.21 O ATOM 747 CB THR A 639 -7.540 1.948 -6.725 1.00 0.30 C ATOM 748 OG1 THR A 639 -8.878 2.167 -7.189 1.00 0.37 O ATOM 749 CG2 THR A 639 -6.798 1.054 -7.709 1.00 0.39 C ATOM 0 H THR A 639 -9.608 1.771 -5.180 1.00 0.25 H new ATOM 0 HA THR A 639 -7.052 0.355 -5.365 1.00 0.25 H new ATOM 0 HB THR A 639 -7.016 2.902 -6.659 1.00 0.30 H new ATOM 0 HG1 THR A 639 -8.853 2.571 -8.082 1.00 0.37 H new ATOM 0 HG21 THR A 639 -6.793 1.522 -8.693 1.00 0.39 H new ATOM 0 HG22 THR A 639 -5.772 0.912 -7.369 1.00 0.39 H new ATOM 0 HG23 THR A 639 -7.297 0.087 -7.770 1.00 0.39 H new ATOM 757 N PRO A 640 -5.516 2.219 -4.280 1.00 0.23 N ATOM 758 CA PRO A 640 -4.755 3.072 -3.359 1.00 0.23 C ATOM 759 C PRO A 640 -5.227 4.525 -3.375 1.00 0.21 C ATOM 760 O PRO A 640 -4.994 5.273 -2.426 1.00 0.22 O ATOM 761 CB PRO A 640 -3.326 2.964 -3.886 1.00 0.27 C ATOM 762 CG PRO A 640 -3.265 1.612 -4.508 1.00 0.30 C ATOM 763 CD PRO A 640 -4.629 1.363 -5.093 1.00 0.27 C ATOM 0 HA PRO A 640 -4.870 2.756 -2.322 1.00 0.23 H new ATOM 0 HB2 PRO A 640 -3.110 3.747 -4.613 1.00 0.27 H new ATOM 0 HB3 PRO A 640 -2.597 3.066 -3.082 1.00 0.27 H new ATOM 0 HG2 PRO A 640 -2.496 1.572 -5.280 1.00 0.30 H new ATOM 0 HG3 PRO A 640 -3.013 0.853 -3.767 1.00 0.30 H new ATOM 0 HD2 PRO A 640 -4.668 1.633 -6.148 1.00 0.27 H new ATOM 0 HD3 PRO A 640 -4.910 0.312 -5.022 1.00 0.27 H new ATOM 771 N ARG A 641 -5.896 4.916 -4.458 1.00 0.20 N ATOM 772 CA ARG A 641 -6.405 6.277 -4.597 1.00 0.21 C ATOM 773 C ARG A 641 -7.828 6.395 -4.046 1.00 0.19 C ATOM 774 O ARG A 641 -8.124 7.289 -3.250 1.00 0.23 O ATOM 775 CB ARG A 641 -6.371 6.698 -6.071 1.00 0.25 C ATOM 776 CG ARG A 641 -7.401 7.753 -6.437 1.00 0.27 C ATOM 777 CD ARG A 641 -6.801 8.831 -7.326 1.00 0.62 C ATOM 778 NE ARG A 641 -6.914 8.500 -8.745 1.00 1.36 N ATOM 779 CZ ARG A 641 -5.968 8.765 -9.641 1.00 1.81 C ATOM 780 NH1 ARG A 641 -4.836 9.345 -9.264 1.00 2.09 N ATOM 781 NH2 ARG A 641 -6.151 8.446 -10.915 1.00 2.60 N ATOM 0 H ARG A 641 -6.098 4.308 -5.252 1.00 0.20 H new ATOM 0 HA ARG A 641 -5.765 6.942 -4.017 1.00 0.21 H new ATOM 0 HB2 ARG A 641 -5.377 7.078 -6.307 1.00 0.25 H new ATOM 0 HB3 ARG A 641 -6.531 5.818 -6.693 1.00 0.25 H new ATOM 0 HG2 ARG A 641 -8.240 7.282 -6.950 1.00 0.27 H new ATOM 0 HG3 ARG A 641 -7.797 8.207 -5.529 1.00 0.27 H new ATOM 0 HD2 ARG A 641 -7.303 9.779 -7.134 1.00 0.62 H new ATOM 0 HD3 ARG A 641 -5.751 8.969 -7.069 1.00 0.62 H new ATOM 0 HE ARG A 641 -7.766 8.040 -9.066 1.00 1.36 H new ATOM 0 HH11 ARG A 641 -4.689 9.589 -8.284 1.00 2.09 H new ATOM 0 HH12 ARG A 641 -4.112 9.547 -9.954 1.00 2.09 H new ATOM 0 HH21 ARG A 641 -7.018 7.997 -11.209 1.00 2.60 H new ATOM 0 HH22 ARG A 641 -5.424 8.650 -11.601 1.00 2.60 H new ATOM 795 N GLU A 642 -8.705 5.489 -4.475 1.00 0.20 N ATOM 796 CA GLU A 642 -10.095 5.498 -4.025 1.00 0.23 C ATOM 797 C GLU A 642 -10.181 5.195 -2.536 1.00 0.23 C ATOM 798 O GLU A 642 -11.149 5.559 -1.867 1.00 0.26 O ATOM 799 CB GLU A 642 -10.922 4.482 -4.815 1.00 0.26 C ATOM 800 CG GLU A 642 -12.169 5.078 -5.450 1.00 0.63 C ATOM 801 CD GLU A 642 -12.479 4.475 -6.805 1.00 0.89 C ATOM 802 OE1 GLU A 642 -12.324 3.245 -6.957 1.00 1.33 O ATOM 803 OE2 GLU A 642 -12.877 5.232 -7.716 1.00 1.60 O ATOM 0 H GLU A 642 -8.478 4.742 -5.131 1.00 0.20 H new ATOM 0 HA GLU A 642 -10.501 6.494 -4.201 1.00 0.23 H new ATOM 0 HB2 GLU A 642 -10.299 4.047 -5.596 1.00 0.26 H new ATOM 0 HB3 GLU A 642 -11.215 3.669 -4.151 1.00 0.26 H new ATOM 0 HG2 GLU A 642 -13.019 4.925 -4.785 1.00 0.63 H new ATOM 0 HG3 GLU A 642 -12.038 6.155 -5.557 1.00 0.63 H new ATOM 810 N PHE A 643 -9.154 4.529 -2.026 1.00 0.22 N ATOM 811 CA PHE A 643 -9.086 4.172 -0.619 1.00 0.23 C ATOM 812 C PHE A 643 -8.657 5.373 0.207 1.00 0.23 C ATOM 813 O PHE A 643 -9.126 5.568 1.327 1.00 0.25 O ATOM 814 CB PHE A 643 -8.109 3.015 -0.410 1.00 0.24 C ATOM 815 CG PHE A 643 -8.393 2.198 0.818 1.00 0.21 C ATOM 816 CD1 PHE A 643 -9.677 1.748 1.090 1.00 0.26 C ATOM 817 CD2 PHE A 643 -7.375 1.879 1.701 1.00 0.27 C ATOM 818 CE1 PHE A 643 -9.937 0.996 2.219 1.00 0.35 C ATOM 819 CE2 PHE A 643 -7.629 1.127 2.831 1.00 0.33 C ATOM 820 CZ PHE A 643 -8.912 0.686 3.090 1.00 0.37 C ATOM 0 H PHE A 643 -8.350 4.223 -2.574 1.00 0.22 H new ATOM 0 HA PHE A 643 -10.077 3.856 -0.293 1.00 0.23 H new ATOM 0 HB2 PHE A 643 -8.139 2.364 -1.284 1.00 0.24 H new ATOM 0 HB3 PHE A 643 -7.097 3.414 -0.344 1.00 0.24 H new ATOM 0 HD1 PHE A 643 -10.482 1.988 0.411 1.00 0.26 H new ATOM 0 HD2 PHE A 643 -6.370 2.222 1.503 1.00 0.27 H new ATOM 0 HE1 PHE A 643 -10.941 0.651 2.420 1.00 0.35 H new ATOM 0 HE2 PHE A 643 -6.826 0.884 3.511 1.00 0.33 H new ATOM 0 HZ PHE A 643 -9.113 0.099 3.974 1.00 0.37 H new ATOM 830 N GLU A 644 -7.771 6.183 -0.362 1.00 0.22 N ATOM 831 CA GLU A 644 -7.285 7.379 0.309 1.00 0.24 C ATOM 832 C GLU A 644 -8.432 8.361 0.510 1.00 0.26 C ATOM 833 O GLU A 644 -8.505 9.055 1.523 1.00 0.29 O ATOM 834 CB GLU A 644 -6.169 8.030 -0.515 1.00 0.25 C ATOM 835 CG GLU A 644 -5.835 9.450 -0.084 1.00 0.33 C ATOM 836 CD GLU A 644 -6.575 10.495 -0.894 1.00 0.65 C ATOM 837 OE1 GLU A 644 -6.757 10.284 -2.111 1.00 1.01 O ATOM 838 OE2 GLU A 644 -6.974 11.525 -0.310 1.00 1.39 O ATOM 0 H GLU A 644 -7.375 6.031 -1.289 1.00 0.22 H new ATOM 0 HA GLU A 644 -6.882 7.101 1.283 1.00 0.24 H new ATOM 0 HB2 GLU A 644 -5.271 7.417 -0.441 1.00 0.25 H new ATOM 0 HB3 GLU A 644 -6.463 8.039 -1.565 1.00 0.25 H new ATOM 0 HG2 GLU A 644 -6.081 9.573 0.971 1.00 0.33 H new ATOM 0 HG3 GLU A 644 -4.762 9.613 -0.182 1.00 0.33 H new ATOM 845 N ILE A 645 -9.327 8.404 -0.469 1.00 0.27 N ATOM 846 CA ILE A 645 -10.482 9.288 -0.421 1.00 0.31 C ATOM 847 C ILE A 645 -11.404 8.929 0.746 1.00 0.31 C ATOM 848 O ILE A 645 -11.946 9.809 1.416 1.00 0.35 O ATOM 849 CB ILE A 645 -11.273 9.220 -1.748 1.00 0.36 C ATOM 850 CG1 ILE A 645 -10.584 10.068 -2.818 1.00 0.44 C ATOM 851 CG2 ILE A 645 -12.712 9.673 -1.553 1.00 0.43 C ATOM 852 CD1 ILE A 645 -10.617 9.445 -4.198 1.00 0.51 C ATOM 0 H ILE A 645 -9.273 7.832 -1.312 1.00 0.27 H new ATOM 0 HA ILE A 645 -10.115 10.304 -0.274 1.00 0.31 H new ATOM 0 HB ILE A 645 -11.292 8.182 -2.080 1.00 0.36 H new ATOM 0 HG12 ILE A 645 -11.063 11.046 -2.858 1.00 0.44 H new ATOM 0 HG13 ILE A 645 -9.546 10.232 -2.527 1.00 0.44 H new ATOM 0 HG21 ILE A 645 -13.244 9.615 -2.503 1.00 0.43 H new ATOM 0 HG22 ILE A 645 -13.201 9.028 -0.823 1.00 0.43 H new ATOM 0 HG23 ILE A 645 -12.724 10.702 -1.193 1.00 0.43 H new ATOM 0 HD11 ILE A 645 -10.110 10.101 -4.906 1.00 0.51 H new ATOM 0 HD12 ILE A 645 -10.112 8.479 -4.173 1.00 0.51 H new ATOM 0 HD13 ILE A 645 -11.652 9.306 -4.510 1.00 0.51 H new ATOM 864 N GLU A 646 -11.579 7.631 0.976 1.00 0.30 N ATOM 865 CA GLU A 646 -12.441 7.147 2.052 1.00 0.33 C ATOM 866 C GLU A 646 -11.695 7.089 3.386 1.00 0.27 C ATOM 867 O GLU A 646 -12.302 7.209 4.452 1.00 0.29 O ATOM 868 CB GLU A 646 -12.986 5.762 1.700 1.00 0.41 C ATOM 869 CG GLU A 646 -14.064 5.270 2.649 1.00 0.70 C ATOM 870 CD GLU A 646 -15.350 4.905 1.933 1.00 1.38 C ATOM 871 OE1 GLU A 646 -15.423 3.790 1.376 1.00 1.99 O ATOM 872 OE2 GLU A 646 -16.282 5.736 1.929 1.00 1.90 O ATOM 0 H GLU A 646 -11.134 6.893 0.430 1.00 0.30 H new ATOM 0 HA GLU A 646 -13.268 7.849 2.160 1.00 0.33 H new ATOM 0 HB2 GLU A 646 -13.389 5.787 0.688 1.00 0.41 H new ATOM 0 HB3 GLU A 646 -12.163 5.047 1.698 1.00 0.41 H new ATOM 0 HG2 GLU A 646 -13.695 4.400 3.192 1.00 0.70 H new ATOM 0 HG3 GLU A 646 -14.271 6.043 3.389 1.00 0.70 H new ATOM 879 N GLY A 647 -10.382 6.895 3.319 1.00 0.23 N ATOM 880 CA GLY A 647 -9.575 6.814 4.526 1.00 0.25 C ATOM 881 C GLY A 647 -9.022 8.159 4.952 1.00 0.28 C ATOM 882 O GLY A 647 -8.326 8.257 5.963 1.00 0.65 O ATOM 0 H GLY A 647 -9.860 6.792 2.449 1.00 0.23 H new ATOM 0 HA2 GLY A 647 -10.179 6.402 5.334 1.00 0.25 H new ATOM 0 HA3 GLY A 647 -8.749 6.122 4.360 1.00 0.25 H new ATOM 886 N ASP A 648 -9.329 9.198 4.183 1.00 0.46 N ATOM 887 CA ASP A 648 -8.854 10.541 4.494 1.00 0.53 C ATOM 888 C ASP A 648 -9.873 11.595 4.076 1.00 0.61 C ATOM 889 O ASP A 648 -10.605 12.126 4.911 1.00 1.12 O ATOM 890 CB ASP A 648 -7.514 10.804 3.802 1.00 0.61 C ATOM 891 CG ASP A 648 -6.828 12.052 4.324 1.00 1.01 C ATOM 892 OD1 ASP A 648 -6.496 12.087 5.528 1.00 1.40 O ATOM 893 OD2 ASP A 648 -6.623 12.993 3.529 1.00 1.46 O ATOM 0 H ASP A 648 -9.903 9.136 3.342 1.00 0.46 H new ATOM 0 HA ASP A 648 -8.717 10.608 5.573 1.00 0.53 H new ATOM 0 HB2 ASP A 648 -6.859 9.945 3.947 1.00 0.61 H new ATOM 0 HB3 ASP A 648 -7.676 10.904 2.729 1.00 0.61 H new ATOM 898 N ARG A 649 -9.915 11.895 2.779 1.00 0.57 N ATOM 899 CA ARG A 649 -10.846 12.890 2.256 1.00 0.66 C ATOM 900 C ARG A 649 -10.842 12.903 0.732 1.00 0.72 C ATOM 901 O ARG A 649 -11.898 12.895 0.098 1.00 0.89 O ATOM 902 CB ARG A 649 -10.490 14.281 2.784 1.00 0.76 C ATOM 903 CG ARG A 649 -11.679 15.224 2.857 1.00 0.97 C ATOM 904 CD ARG A 649 -12.469 15.023 4.140 1.00 1.41 C ATOM 905 NE ARG A 649 -12.265 16.118 5.087 1.00 1.88 N ATOM 906 CZ ARG A 649 -13.045 16.333 6.141 1.00 2.63 C ATOM 907 NH1 ARG A 649 -14.072 15.532 6.385 1.00 2.98 N ATOM 908 NH2 ARG A 649 -12.797 17.350 6.956 1.00 3.19 N ATOM 0 H ARG A 649 -9.317 11.464 2.074 1.00 0.57 H new ATOM 0 HA ARG A 649 -11.846 12.620 2.596 1.00 0.66 H new ATOM 0 HB2 ARG A 649 -10.053 14.183 3.778 1.00 0.76 H new ATOM 0 HB3 ARG A 649 -9.727 14.720 2.142 1.00 0.76 H new ATOM 0 HG2 ARG A 649 -11.331 16.255 2.800 1.00 0.97 H new ATOM 0 HG3 ARG A 649 -12.329 15.059 1.998 1.00 0.97 H new ATOM 0 HD2 ARG A 649 -13.530 14.942 3.903 1.00 1.41 H new ATOM 0 HD3 ARG A 649 -12.173 14.082 4.604 1.00 1.41 H new ATOM 0 HE ARG A 649 -11.481 16.751 4.930 1.00 1.88 H new ATOM 0 HH11 ARG A 649 -14.266 14.747 5.763 1.00 2.98 H new ATOM 0 HH12 ARG A 649 -14.669 15.700 7.195 1.00 2.98 H new ATOM 0 HH21 ARG A 649 -12.007 17.968 6.774 1.00 3.19 H new ATOM 0 HH22 ARG A 649 -13.397 17.514 7.765 1.00 3.19 H new ATOM 922 N GLY A 650 -9.650 12.931 0.151 1.00 0.76 N ATOM 923 CA GLY A 650 -9.525 12.955 -1.293 1.00 0.89 C ATOM 924 C GLY A 650 -8.519 13.985 -1.760 1.00 0.90 C ATOM 925 O GLY A 650 -7.923 13.843 -2.828 1.00 1.02 O ATOM 0 H GLY A 650 -8.764 12.938 0.656 1.00 0.76 H new ATOM 0 HA2 GLY A 650 -9.224 11.969 -1.647 1.00 0.89 H new ATOM 0 HA3 GLY A 650 -10.497 13.171 -1.737 1.00 0.89 H new ATOM 929 N ALA A 651 -8.326 15.024 -0.952 1.00 0.85 N ATOM 930 CA ALA A 651 -7.379 16.081 -1.279 1.00 0.93 C ATOM 931 C ALA A 651 -5.947 15.582 -1.139 1.00 0.91 C ATOM 932 O ALA A 651 -5.010 16.192 -1.656 1.00 1.04 O ATOM 933 CB ALA A 651 -7.609 17.292 -0.387 1.00 0.99 C ATOM 0 H ALA A 651 -8.814 15.155 -0.066 1.00 0.85 H new ATOM 0 HA ALA A 651 -7.539 16.377 -2.316 1.00 0.93 H new ATOM 0 HB1 ALA A 651 -6.894 18.074 -0.643 1.00 0.99 H new ATOM 0 HB2 ALA A 651 -8.623 17.665 -0.534 1.00 0.99 H new ATOM 0 HB3 ALA A 651 -7.476 17.006 0.656 1.00 0.99 H new ATOM 939 N SER A 652 -5.786 14.463 -0.438 1.00 0.82 N ATOM 940 CA SER A 652 -4.467 13.874 -0.228 1.00 0.89 C ATOM 941 C SER A 652 -4.005 13.116 -1.469 1.00 1.07 C ATOM 942 O SER A 652 -4.176 11.900 -1.566 1.00 1.98 O ATOM 943 CB SER A 652 -4.493 12.935 0.981 1.00 0.80 C ATOM 944 OG SER A 652 -4.045 13.597 2.150 1.00 1.30 O ATOM 0 H SER A 652 -6.552 13.946 -0.006 1.00 0.82 H new ATOM 0 HA SER A 652 -3.761 14.682 -0.036 1.00 0.89 H new ATOM 0 HB2 SER A 652 -5.506 12.564 1.135 1.00 0.80 H new ATOM 0 HB3 SER A 652 -3.862 12.068 0.786 1.00 0.80 H new ATOM 0 HG SER A 652 -4.738 13.545 2.841 1.00 1.30 H new ATOM 950 N LYS A 653 -3.422 13.843 -2.418 1.00 0.61 N ATOM 951 CA LYS A 653 -2.935 13.241 -3.656 1.00 0.69 C ATOM 952 C LYS A 653 -1.926 12.132 -3.365 1.00 0.53 C ATOM 953 O LYS A 653 -1.810 11.171 -4.124 1.00 0.60 O ATOM 954 CB LYS A 653 -2.295 14.304 -4.548 1.00 0.94 C ATOM 955 CG LYS A 653 -2.612 14.133 -6.025 1.00 1.24 C ATOM 956 CD LYS A 653 -1.343 13.977 -6.851 1.00 1.67 C ATOM 957 CE LYS A 653 -1.335 12.666 -7.621 1.00 2.12 C ATOM 958 NZ LYS A 653 -0.210 11.783 -7.205 1.00 2.50 N ATOM 0 H LYS A 653 -3.275 14.850 -2.354 1.00 0.61 H new ATOM 0 HA LYS A 653 -3.788 12.805 -4.176 1.00 0.69 H new ATOM 0 HB2 LYS A 653 -2.633 15.289 -4.224 1.00 0.94 H new ATOM 0 HB3 LYS A 653 -1.214 14.277 -4.412 1.00 0.94 H new ATOM 0 HG2 LYS A 653 -3.248 13.258 -6.163 1.00 1.24 H new ATOM 0 HG3 LYS A 653 -3.175 14.996 -6.380 1.00 1.24 H new ATOM 0 HD2 LYS A 653 -1.257 14.810 -7.549 1.00 1.67 H new ATOM 0 HD3 LYS A 653 -0.473 14.020 -6.195 1.00 1.67 H new ATOM 0 HE2 LYS A 653 -2.281 12.147 -7.464 1.00 2.12 H new ATOM 0 HE3 LYS A 653 -1.258 12.873 -8.688 1.00 2.12 H new ATOM 0 HZ1 LYS A 653 -0.241 10.900 -7.754 1.00 2.50 H new ATOM 0 HZ2 LYS A 653 0.694 12.267 -7.378 1.00 2.50 H new ATOM 0 HZ3 LYS A 653 -0.297 11.564 -6.192 1.00 2.50 H new ATOM 972 N ASN A 654 -1.201 12.274 -2.259 1.00 0.43 N ATOM 973 CA ASN A 654 -0.204 11.283 -1.869 1.00 0.36 C ATOM 974 C ASN A 654 -0.878 10.039 -1.298 1.00 0.31 C ATOM 975 O ASN A 654 -0.974 9.874 -0.081 1.00 0.36 O ATOM 976 CB ASN A 654 0.762 11.875 -0.841 1.00 0.46 C ATOM 977 CG ASN A 654 2.062 12.339 -1.470 1.00 0.85 C ATOM 978 OD1 ASN A 654 2.292 13.537 -1.637 1.00 1.63 O ATOM 979 ND2 ASN A 654 2.923 11.390 -1.820 1.00 1.50 N ATOM 0 H ASN A 654 -1.285 13.064 -1.619 1.00 0.43 H new ATOM 0 HA ASN A 654 0.359 10.997 -2.757 1.00 0.36 H new ATOM 0 HB2 ASN A 654 0.284 12.716 -0.339 1.00 0.46 H new ATOM 0 HB3 ASN A 654 0.977 11.128 -0.077 1.00 0.46 H new ATOM 0 HD21 ASN A 654 3.815 11.642 -2.245 1.00 1.50 H new ATOM 0 HD22 ASN A 654 2.692 10.409 -1.664 1.00 1.50 H new ATOM 986 N TRP A 655 -1.347 9.167 -2.186 1.00 0.29 N ATOM 987 CA TRP A 655 -2.016 7.939 -1.775 1.00 0.30 C ATOM 988 C TRP A 655 -1.031 6.969 -1.127 1.00 0.29 C ATOM 989 O TRP A 655 -1.427 6.087 -0.365 1.00 0.32 O ATOM 990 CB TRP A 655 -2.685 7.272 -2.979 1.00 0.33 C ATOM 991 CG TRP A 655 -1.780 7.145 -4.166 1.00 0.34 C ATOM 992 CD1 TRP A 655 -1.706 7.990 -5.235 1.00 0.36 C ATOM 993 CD2 TRP A 655 -0.819 6.109 -4.407 1.00 0.37 C ATOM 994 NE1 TRP A 655 -0.759 7.546 -6.124 1.00 0.39 N ATOM 995 CE2 TRP A 655 -0.201 6.392 -5.639 1.00 0.40 C ATOM 996 CE3 TRP A 655 -0.422 4.970 -3.701 1.00 0.40 C ATOM 997 CZ2 TRP A 655 0.792 5.579 -6.178 1.00 0.46 C ATOM 998 CZ3 TRP A 655 0.564 4.163 -4.237 1.00 0.46 C ATOM 999 CH2 TRP A 655 1.161 4.471 -5.465 1.00 0.49 C ATOM 0 H TRP A 655 -1.275 9.289 -3.196 1.00 0.29 H new ATOM 0 HA TRP A 655 -2.777 8.200 -1.040 1.00 0.30 H new ATOM 0 HB2 TRP A 655 -3.033 6.281 -2.689 1.00 0.33 H new ATOM 0 HB3 TRP A 655 -3.565 7.849 -3.262 1.00 0.33 H new ATOM 0 HD1 TRP A 655 -2.306 8.879 -5.363 1.00 0.36 H new ATOM 0 HE1 TRP A 655 -0.511 8.001 -7.003 1.00 0.39 H new ATOM 0 HE3 TRP A 655 -0.878 4.725 -2.753 1.00 0.40 H new ATOM 0 HZ2 TRP A 655 1.255 5.814 -7.125 1.00 0.46 H new ATOM 0 HZ3 TRP A 655 0.879 3.281 -3.700 1.00 0.46 H new ATOM 0 HH2 TRP A 655 1.929 3.821 -5.858 1.00 0.49 H new ATOM 1010 N LYS A 656 0.250 7.138 -1.438 1.00 0.28 N ATOM 1011 CA LYS A 656 1.289 6.276 -0.885 1.00 0.31 C ATOM 1012 C LYS A 656 1.631 6.679 0.543 1.00 0.25 C ATOM 1013 O LYS A 656 2.215 5.901 1.296 1.00 0.26 O ATOM 1014 CB LYS A 656 2.546 6.327 -1.758 1.00 0.43 C ATOM 1015 CG LYS A 656 2.927 7.729 -2.202 1.00 0.42 C ATOM 1016 CD LYS A 656 4.058 7.703 -3.217 1.00 0.81 C ATOM 1017 CE LYS A 656 3.529 7.563 -4.635 1.00 0.81 C ATOM 1018 NZ LYS A 656 4.571 7.874 -5.651 1.00 1.34 N ATOM 0 H LYS A 656 0.593 7.862 -2.069 1.00 0.28 H new ATOM 0 HA LYS A 656 0.906 5.255 -0.872 1.00 0.31 H new ATOM 0 HB2 LYS A 656 3.379 5.892 -1.205 1.00 0.43 H new ATOM 0 HB3 LYS A 656 2.390 5.706 -2.640 1.00 0.43 H new ATOM 0 HG2 LYS A 656 2.058 8.223 -2.636 1.00 0.42 H new ATOM 0 HG3 LYS A 656 3.228 8.317 -1.335 1.00 0.42 H new ATOM 0 HD2 LYS A 656 4.644 8.619 -3.135 1.00 0.81 H new ATOM 0 HD3 LYS A 656 4.730 6.874 -2.994 1.00 0.81 H new ATOM 0 HE2 LYS A 656 3.165 6.547 -4.788 1.00 0.81 H new ATOM 0 HE3 LYS A 656 2.678 8.230 -4.772 1.00 0.81 H new ATOM 0 HZ1 LYS A 656 4.169 7.767 -6.604 1.00 1.34 H new ATOM 0 HZ2 LYS A 656 4.900 8.852 -5.522 1.00 1.34 H new ATOM 0 HZ3 LYS A 656 5.372 7.221 -5.537 1.00 1.34 H new ATOM 1032 N LEU A 657 1.263 7.902 0.909 1.00 0.24 N ATOM 1033 CA LEU A 657 1.528 8.414 2.249 1.00 0.27 C ATOM 1034 C LEU A 657 0.265 8.395 3.104 1.00 0.26 C ATOM 1035 O LEU A 657 0.336 8.307 4.330 1.00 0.33 O ATOM 1036 CB LEU A 657 2.076 9.841 2.172 1.00 0.36 C ATOM 1037 CG LEU A 657 3.594 9.968 2.314 1.00 0.39 C ATOM 1038 CD1 LEU A 657 4.027 11.408 2.101 1.00 0.52 C ATOM 1039 CD2 LEU A 657 4.048 9.470 3.678 1.00 0.50 C ATOM 0 H LEU A 657 0.780 8.558 0.296 1.00 0.24 H new ATOM 0 HA LEU A 657 2.271 7.766 2.714 1.00 0.27 H new ATOM 0 HB2 LEU A 657 1.780 10.275 1.217 1.00 0.36 H new ATOM 0 HB3 LEU A 657 1.604 10.436 2.953 1.00 0.36 H new ATOM 0 HG LEU A 657 4.064 9.349 1.550 1.00 0.39 H new ATOM 0 HD11 LEU A 657 5.109 11.482 2.205 1.00 0.52 H new ATOM 0 HD12 LEU A 657 3.736 11.731 1.102 1.00 0.52 H new ATOM 0 HD13 LEU A 657 3.547 12.046 2.843 1.00 0.52 H new ATOM 0 HD21 LEU A 657 5.130 9.569 3.760 1.00 0.50 H new ATOM 0 HD22 LEU A 657 3.570 10.061 4.459 1.00 0.50 H new ATOM 0 HD23 LEU A 657 3.769 8.423 3.794 1.00 0.50 H new ATOM 1051 N SER A 658 -0.890 8.487 2.451 1.00 0.24 N ATOM 1052 CA SER A 658 -2.168 8.490 3.153 1.00 0.29 C ATOM 1053 C SER A 658 -2.509 7.104 3.693 1.00 0.25 C ATOM 1054 O SER A 658 -3.175 6.979 4.721 1.00 0.30 O ATOM 1055 CB SER A 658 -3.282 8.970 2.225 1.00 0.34 C ATOM 1056 OG SER A 658 -4.117 7.896 1.831 1.00 1.18 O ATOM 0 H SER A 658 -0.966 8.560 1.437 1.00 0.24 H new ATOM 0 HA SER A 658 -2.080 9.174 3.997 1.00 0.29 H new ATOM 0 HB2 SER A 658 -3.877 9.731 2.730 1.00 0.34 H new ATOM 0 HB3 SER A 658 -2.847 9.439 1.342 1.00 0.34 H new ATOM 0 HG SER A 658 -4.755 7.697 2.548 1.00 1.18 H new ATOM 1062 N ILE A 659 -2.054 6.066 2.998 1.00 0.18 N ATOM 1063 CA ILE A 659 -2.324 4.697 3.421 1.00 0.15 C ATOM 1064 C ILE A 659 -1.072 4.039 3.991 1.00 0.13 C ATOM 1065 O ILE A 659 0.027 4.212 3.467 1.00 0.13 O ATOM 1066 CB ILE A 659 -2.858 3.834 2.260 1.00 0.17 C ATOM 1067 CG1 ILE A 659 -3.914 4.603 1.459 1.00 0.20 C ATOM 1068 CG2 ILE A 659 -3.436 2.532 2.799 1.00 0.18 C ATOM 1069 CD1 ILE A 659 -4.488 3.819 0.296 1.00 0.27 C ATOM 0 H ILE A 659 -1.500 6.146 2.145 1.00 0.18 H new ATOM 0 HA ILE A 659 -3.088 4.757 4.196 1.00 0.15 H new ATOM 0 HB ILE A 659 -2.031 3.597 1.591 1.00 0.17 H new ATOM 0 HG12 ILE A 659 -4.726 4.891 2.127 1.00 0.20 H new ATOM 0 HG13 ILE A 659 -3.471 5.524 1.081 1.00 0.20 H new ATOM 0 HG21 ILE A 659 -3.810 1.930 1.971 1.00 0.18 H new ATOM 0 HG22 ILE A 659 -2.659 1.980 3.327 1.00 0.18 H new ATOM 0 HG23 ILE A 659 -4.253 2.753 3.485 1.00 0.18 H new ATOM 0 HD11 ILE A 659 -5.228 4.428 -0.223 1.00 0.27 H new ATOM 0 HD12 ILE A 659 -3.687 3.554 -0.395 1.00 0.27 H new ATOM 0 HD13 ILE A 659 -4.962 2.911 0.668 1.00 0.27 H new ATOM 1081 N ARG A 660 -1.255 3.278 5.065 1.00 0.17 N ATOM 1082 CA ARG A 660 -0.149 2.580 5.716 1.00 0.17 C ATOM 1083 C ARG A 660 -0.250 1.078 5.473 1.00 0.20 C ATOM 1084 O ARG A 660 -1.274 0.588 5.005 1.00 0.20 O ATOM 1085 CB ARG A 660 -0.143 2.865 7.222 1.00 0.19 C ATOM 1086 CG ARG A 660 -0.886 4.135 7.615 1.00 0.18 C ATOM 1087 CD ARG A 660 -0.472 4.617 8.996 1.00 0.32 C ATOM 1088 NE ARG A 660 -1.418 5.584 9.545 1.00 0.66 N ATOM 1089 CZ ARG A 660 -1.156 6.358 10.594 1.00 1.09 C ATOM 1090 NH1 ARG A 660 0.016 6.272 11.210 1.00 1.74 N ATOM 1091 NH2 ARG A 660 -2.067 7.218 11.030 1.00 1.43 N ATOM 0 H ARG A 660 -2.163 3.128 5.506 1.00 0.17 H new ATOM 0 HA ARG A 660 0.784 2.946 5.286 1.00 0.17 H new ATOM 0 HB2 ARG A 660 -0.590 2.019 7.743 1.00 0.19 H new ATOM 0 HB3 ARG A 660 0.890 2.940 7.563 1.00 0.19 H new ATOM 0 HG2 ARG A 660 -0.687 4.916 6.881 1.00 0.18 H new ATOM 0 HG3 ARG A 660 -1.960 3.949 7.600 1.00 0.18 H new ATOM 0 HD2 ARG A 660 -0.394 3.763 9.669 1.00 0.32 H new ATOM 0 HD3 ARG A 660 0.518 5.070 8.940 1.00 0.32 H new ATOM 0 HE ARG A 660 -2.331 5.671 9.099 1.00 0.66 H new ATOM 0 HH11 ARG A 660 0.719 5.611 10.879 1.00 1.74 H new ATOM 0 HH12 ARG A 660 0.214 6.867 12.014 1.00 1.74 H new ATOM 0 HH21 ARG A 660 -2.970 7.286 10.560 1.00 1.43 H new ATOM 0 HH22 ARG A 660 -1.865 7.811 11.835 1.00 1.43 H new ATOM 1105 N CYS A 661 0.815 0.351 5.791 1.00 0.25 N ATOM 1106 CA CYS A 661 0.825 -1.097 5.602 1.00 0.29 C ATOM 1107 C CYS A 661 1.487 -1.798 6.783 1.00 0.33 C ATOM 1108 O CYS A 661 2.713 -1.913 6.837 1.00 0.36 O ATOM 1109 CB CYS A 661 1.553 -1.457 4.308 1.00 0.33 C ATOM 1110 SG CYS A 661 0.598 -2.510 3.192 1.00 1.57 S ATOM 0 H CYS A 661 1.677 0.735 6.178 1.00 0.25 H new ATOM 0 HA CYS A 661 -0.209 -1.436 5.537 1.00 0.29 H new ATOM 0 HB2 CYS A 661 1.818 -0.538 3.785 1.00 0.33 H new ATOM 0 HB3 CYS A 661 2.486 -1.962 4.557 1.00 0.33 H new ATOM 0 HG CYS A 661 -0.322 -3.135 3.866 1.00 1.57 H new ATOM 1116 N GLY A 662 0.669 -2.269 7.723 1.00 0.36 N ATOM 1117 CA GLY A 662 1.192 -2.959 8.890 1.00 0.42 C ATOM 1118 C GLY A 662 2.254 -2.157 9.623 1.00 0.38 C ATOM 1119 O GLY A 662 2.958 -2.687 10.482 1.00 0.54 O ATOM 0 H GLY A 662 -0.347 -2.185 7.696 1.00 0.36 H new ATOM 0 HA2 GLY A 662 0.372 -3.178 9.574 1.00 0.42 H new ATOM 0 HA3 GLY A 662 1.614 -3.915 8.582 1.00 0.42 H new ATOM 1123 N GLY A 663 2.370 -0.878 9.277 1.00 0.34 N ATOM 1124 CA GLY A 663 3.355 -0.021 9.910 1.00 0.29 C ATOM 1125 C GLY A 663 3.851 1.068 8.979 1.00 0.23 C ATOM 1126 O GLY A 663 3.639 2.253 9.234 1.00 0.27 O ATOM 0 H GLY A 663 1.798 -0.420 8.568 1.00 0.34 H new ATOM 0 HA2 GLY A 663 2.920 0.435 10.799 1.00 0.29 H new ATOM 0 HA3 GLY A 663 4.199 -0.625 10.242 1.00 0.29 H new ATOM 1130 N TYR A 664 4.515 0.666 7.898 1.00 0.20 N ATOM 1131 CA TYR A 664 5.041 1.617 6.928 1.00 0.17 C ATOM 1132 C TYR A 664 4.075 1.796 5.760 1.00 0.15 C ATOM 1133 O TYR A 664 3.481 0.830 5.280 1.00 0.17 O ATOM 1134 CB TYR A 664 6.402 1.151 6.406 1.00 0.22 C ATOM 1135 CG TYR A 664 7.364 0.738 7.499 1.00 0.31 C ATOM 1136 CD1 TYR A 664 7.949 1.686 8.328 1.00 0.45 C ATOM 1137 CD2 TYR A 664 7.686 -0.599 7.699 1.00 0.48 C ATOM 1138 CE1 TYR A 664 8.829 1.314 9.327 1.00 0.59 C ATOM 1139 CE2 TYR A 664 8.564 -0.979 8.697 1.00 0.61 C ATOM 1140 CZ TYR A 664 9.134 -0.022 9.505 1.00 0.62 C ATOM 1141 OH TYR A 664 10.008 -0.393 10.501 1.00 0.78 O ATOM 0 H TYR A 664 4.700 -0.312 7.674 1.00 0.20 H new ATOM 0 HA TYR A 664 5.161 2.577 7.431 1.00 0.17 H new ATOM 0 HB2 TYR A 664 6.253 0.310 5.729 1.00 0.22 H new ATOM 0 HB3 TYR A 664 6.852 1.954 5.823 1.00 0.22 H new ATOM 0 HD1 TYR A 664 7.713 2.731 8.190 1.00 0.45 H new ATOM 0 HD2 TYR A 664 7.243 -1.353 7.065 1.00 0.48 H new ATOM 0 HE1 TYR A 664 9.275 2.063 9.964 1.00 0.59 H new ATOM 0 HE2 TYR A 664 8.802 -2.023 8.842 1.00 0.61 H new ATOM 0 HH TYR A 664 10.116 -1.367 10.495 1.00 0.78 H new ATOM 1151 N THR A 665 3.932 3.036 5.306 1.00 0.14 N ATOM 1152 CA THR A 665 3.046 3.346 4.191 1.00 0.14 C ATOM 1153 C THR A 665 3.622 2.820 2.883 1.00 0.16 C ATOM 1154 O THR A 665 4.759 2.352 2.848 1.00 0.23 O ATOM 1155 CB THR A 665 2.822 4.865 4.065 1.00 0.16 C ATOM 1156 OG1 THR A 665 3.998 5.491 3.540 1.00 0.21 O ATOM 1157 CG2 THR A 665 2.475 5.476 5.414 1.00 0.26 C ATOM 0 H THR A 665 4.419 3.844 5.694 1.00 0.14 H new ATOM 0 HA THR A 665 2.091 2.860 4.391 1.00 0.14 H new ATOM 0 HB THR A 665 1.987 5.031 3.384 1.00 0.16 H new ATOM 0 HG1 THR A 665 4.242 6.254 4.104 1.00 0.21 H new ATOM 0 HG21 THR A 665 2.322 6.549 5.299 1.00 0.26 H new ATOM 0 HG22 THR A 665 1.563 5.018 5.797 1.00 0.26 H new ATOM 0 HG23 THR A 665 3.291 5.299 6.114 1.00 0.26 H new ATOM 1165 N LEU A 666 2.840 2.899 1.808 1.00 0.16 N ATOM 1166 CA LEU A 666 3.299 2.426 0.505 1.00 0.19 C ATOM 1167 C LEU A 666 4.544 3.188 0.078 1.00 0.21 C ATOM 1168 O LEU A 666 5.401 2.650 -0.620 1.00 0.24 O ATOM 1169 CB LEU A 666 2.206 2.580 -0.557 1.00 0.21 C ATOM 1170 CG LEU A 666 1.021 1.617 -0.428 1.00 0.20 C ATOM 1171 CD1 LEU A 666 1.499 0.187 -0.211 1.00 0.20 C ATOM 1172 CD2 LEU A 666 0.122 2.052 0.714 1.00 0.25 C ATOM 0 H LEU A 666 1.895 3.282 1.813 1.00 0.16 H new ATOM 0 HA LEU A 666 3.539 1.367 0.599 1.00 0.19 H new ATOM 0 HB2 LEU A 666 1.828 3.601 -0.518 1.00 0.21 H new ATOM 0 HB3 LEU A 666 2.657 2.444 -1.540 1.00 0.21 H new ATOM 0 HG LEU A 666 0.454 1.644 -1.358 1.00 0.20 H new ATOM 0 HD11 LEU A 666 0.638 -0.475 -0.123 1.00 0.20 H new ATOM 0 HD12 LEU A 666 2.111 -0.124 -1.058 1.00 0.20 H new ATOM 0 HD13 LEU A 666 2.091 0.136 0.703 1.00 0.20 H new ATOM 0 HD21 LEU A 666 -0.718 1.362 0.799 1.00 0.25 H new ATOM 0 HD22 LEU A 666 0.689 2.050 1.645 1.00 0.25 H new ATOM 0 HD23 LEU A 666 -0.252 3.057 0.520 1.00 0.25 H new ATOM 1184 N LYS A 667 4.641 4.441 0.512 1.00 0.20 N ATOM 1185 CA LYS A 667 5.790 5.274 0.184 1.00 0.23 C ATOM 1186 C LYS A 667 7.069 4.617 0.690 1.00 0.24 C ATOM 1187 O LYS A 667 8.098 4.623 0.014 1.00 0.29 O ATOM 1188 CB LYS A 667 5.634 6.666 0.804 1.00 0.25 C ATOM 1189 CG LYS A 667 6.837 7.570 0.582 1.00 0.42 C ATOM 1190 CD LYS A 667 6.426 9.030 0.475 1.00 1.05 C ATOM 1191 CE LYS A 667 6.515 9.530 -0.957 1.00 1.68 C ATOM 1192 NZ LYS A 667 7.868 9.312 -1.539 1.00 2.05 N ATOM 0 H LYS A 667 3.938 4.900 1.091 1.00 0.20 H new ATOM 0 HA LYS A 667 5.848 5.380 -0.899 1.00 0.23 H new ATOM 0 HB2 LYS A 667 4.749 7.144 0.385 1.00 0.25 H new ATOM 0 HB3 LYS A 667 5.462 6.560 1.875 1.00 0.25 H new ATOM 0 HG2 LYS A 667 7.541 7.449 1.405 1.00 0.42 H new ATOM 0 HG3 LYS A 667 7.356 7.270 -0.328 1.00 0.42 H new ATOM 0 HD2 LYS A 667 5.406 9.150 0.841 1.00 1.05 H new ATOM 0 HD3 LYS A 667 7.067 9.637 1.114 1.00 1.05 H new ATOM 0 HE2 LYS A 667 5.771 9.018 -1.567 1.00 1.68 H new ATOM 0 HE3 LYS A 667 6.274 10.593 -0.986 1.00 1.68 H new ATOM 0 HZ1 LYS A 667 8.088 10.081 -2.204 1.00 2.05 H new ATOM 0 HZ2 LYS A 667 8.576 9.300 -0.777 1.00 2.05 H new ATOM 0 HZ3 LYS A 667 7.887 8.403 -2.044 1.00 2.05 H new ATOM 1206 N VAL A 668 6.987 4.039 1.884 1.00 0.25 N ATOM 1207 CA VAL A 668 8.125 3.364 2.490 1.00 0.30 C ATOM 1208 C VAL A 668 8.244 1.935 1.974 1.00 0.30 C ATOM 1209 O VAL A 668 9.348 1.421 1.795 1.00 0.38 O ATOM 1210 CB VAL A 668 8.021 3.339 4.027 1.00 0.34 C ATOM 1211 CG1 VAL A 668 9.379 3.053 4.650 1.00 0.44 C ATOM 1212 CG2 VAL A 668 7.454 4.651 4.549 1.00 0.47 C ATOM 0 H VAL A 668 6.140 4.026 2.452 1.00 0.25 H new ATOM 0 HA VAL A 668 9.014 3.929 2.210 1.00 0.30 H new ATOM 0 HB VAL A 668 7.339 2.538 4.311 1.00 0.34 H new ATOM 0 HG11 VAL A 668 9.286 3.039 5.736 1.00 0.44 H new ATOM 0 HG12 VAL A 668 9.741 2.085 4.305 1.00 0.44 H new ATOM 0 HG13 VAL A 668 10.085 3.830 4.356 1.00 0.44 H new ATOM 0 HG21 VAL A 668 7.389 4.612 5.636 1.00 0.47 H new ATOM 0 HG22 VAL A 668 8.107 5.473 4.254 1.00 0.47 H new ATOM 0 HG23 VAL A 668 6.460 4.809 4.131 1.00 0.47 H new ATOM 1222 N LEU A 669 7.100 1.296 1.734 1.00 0.26 N ATOM 1223 CA LEU A 669 7.085 -0.074 1.236 1.00 0.32 C ATOM 1224 C LEU A 669 7.730 -0.144 -0.140 1.00 0.38 C ATOM 1225 O LEU A 669 8.329 -1.156 -0.506 1.00 0.47 O ATOM 1226 CB LEU A 669 5.651 -0.602 1.167 1.00 0.36 C ATOM 1227 CG LEU A 669 5.313 -1.692 2.185 1.00 0.34 C ATOM 1228 CD1 LEU A 669 5.403 -1.148 3.602 1.00 0.36 C ATOM 1229 CD2 LEU A 669 3.926 -2.257 1.915 1.00 0.38 C ATOM 0 H LEU A 669 6.176 1.705 1.876 1.00 0.26 H new ATOM 0 HA LEU A 669 7.656 -0.696 1.926 1.00 0.32 H new ATOM 0 HB2 LEU A 669 4.965 0.233 1.310 1.00 0.36 H new ATOM 0 HB3 LEU A 669 5.472 -0.993 0.166 1.00 0.36 H new ATOM 0 HG LEU A 669 6.040 -2.498 2.083 1.00 0.34 H new ATOM 0 HD11 LEU A 669 5.159 -1.939 4.311 1.00 0.36 H new ATOM 0 HD12 LEU A 669 6.415 -0.791 3.791 1.00 0.36 H new ATOM 0 HD13 LEU A 669 4.699 -0.324 3.721 1.00 0.36 H new ATOM 0 HD21 LEU A 669 3.700 -3.032 2.648 1.00 0.38 H new ATOM 0 HD22 LEU A 669 3.187 -1.459 1.990 1.00 0.38 H new ATOM 0 HD23 LEU A 669 3.896 -2.685 0.913 1.00 0.38 H new ATOM 1241 N MET A 670 7.622 0.947 -0.893 1.00 0.36 N ATOM 1242 CA MET A 670 8.218 1.012 -2.221 1.00 0.44 C ATOM 1243 C MET A 670 9.652 1.510 -2.121 1.00 0.47 C ATOM 1244 O MET A 670 10.428 1.407 -3.070 1.00 0.55 O ATOM 1245 CB MET A 670 7.400 1.927 -3.137 1.00 0.48 C ATOM 1246 CG MET A 670 7.411 3.386 -2.713 1.00 0.45 C ATOM 1247 SD MET A 670 6.624 4.467 -3.923 1.00 0.71 S ATOM 1248 CE MET A 670 4.898 4.067 -3.663 1.00 0.70 C ATOM 0 H MET A 670 7.130 1.793 -0.607 1.00 0.36 H new ATOM 0 HA MET A 670 8.219 0.011 -2.652 1.00 0.44 H new ATOM 0 HB2 MET A 670 7.788 1.850 -4.153 1.00 0.48 H new ATOM 0 HB3 MET A 670 6.369 1.573 -3.162 1.00 0.48 H new ATOM 0 HG2 MET A 670 6.900 3.486 -1.756 1.00 0.45 H new ATOM 0 HG3 MET A 670 8.441 3.708 -2.560 1.00 0.45 H new ATOM 0 HE1 MET A 670 4.285 4.617 -4.377 1.00 0.70 H new ATOM 0 HE2 MET A 670 4.747 2.997 -3.805 1.00 0.70 H new ATOM 0 HE3 MET A 670 4.609 4.343 -2.649 1.00 0.70 H new ATOM 1258 N GLU A 671 9.990 2.040 -0.950 1.00 0.42 N ATOM 1259 CA GLU A 671 11.325 2.556 -0.688 1.00 0.47 C ATOM 1260 C GLU A 671 12.212 1.478 -0.075 1.00 0.51 C ATOM 1261 O GLU A 671 13.438 1.558 -0.146 1.00 0.59 O ATOM 1262 CB GLU A 671 11.248 3.763 0.250 1.00 0.45 C ATOM 1263 CG GLU A 671 12.063 4.957 -0.224 1.00 0.88 C ATOM 1264 CD GLU A 671 11.568 6.267 0.359 1.00 1.56 C ATOM 1265 OE1 GLU A 671 10.474 6.720 -0.041 1.00 2.39 O ATOM 1266 OE2 GLU A 671 12.275 6.840 1.214 1.00 1.90 O ATOM 0 H GLU A 671 9.349 2.123 -0.161 1.00 0.42 H new ATOM 0 HA GLU A 671 11.764 2.866 -1.636 1.00 0.47 H new ATOM 0 HB2 GLU A 671 10.206 4.064 0.356 1.00 0.45 H new ATOM 0 HB3 GLU A 671 11.596 3.466 1.239 1.00 0.45 H new ATOM 0 HG2 GLU A 671 13.108 4.812 0.052 1.00 0.88 H new ATOM 0 HG3 GLU A 671 12.025 5.010 -1.312 1.00 0.88 H new ATOM 1273 N ASN A 672 11.584 0.478 0.538 1.00 0.47 N ATOM 1274 CA ASN A 672 12.320 -0.603 1.172 1.00 0.53 C ATOM 1275 C ASN A 672 12.684 -1.687 0.162 1.00 0.60 C ATOM 1276 O ASN A 672 13.827 -1.760 -0.291 1.00 0.72 O ATOM 1277 CB ASN A 672 11.498 -1.204 2.319 1.00 0.50 C ATOM 1278 CG ASN A 672 11.248 -0.217 3.444 1.00 0.82 C ATOM 1279 OD1 ASN A 672 12.038 0.699 3.672 1.00 1.54 O ATOM 1280 ND2 ASN A 672 10.140 -0.404 4.157 1.00 0.62 N ATOM 0 H ASN A 672 10.570 0.397 0.607 1.00 0.47 H new ATOM 0 HA ASN A 672 13.245 -0.190 1.575 1.00 0.53 H new ATOM 0 HB2 ASN A 672 10.542 -1.554 1.930 1.00 0.50 H new ATOM 0 HB3 ASN A 672 12.019 -2.075 2.716 1.00 0.50 H new ATOM 0 HD21 ASN A 672 9.917 0.226 4.928 1.00 0.62 H new ATOM 0 HD22 ASN A 672 9.513 -1.177 3.932 1.00 0.62 H new ATOM 1287 N LYS A 673 11.704 -2.523 -0.184 1.00 0.59 N ATOM 1288 CA LYS A 673 11.914 -3.613 -1.141 1.00 0.69 C ATOM 1289 C LYS A 673 10.692 -4.526 -1.224 1.00 0.68 C ATOM 1290 O LYS A 673 10.825 -5.730 -1.445 1.00 0.95 O ATOM 1291 CB LYS A 673 13.141 -4.445 -0.750 1.00 0.87 C ATOM 1292 CG LYS A 673 13.083 -4.995 0.667 1.00 0.94 C ATOM 1293 CD LYS A 673 14.314 -4.601 1.468 1.00 1.46 C ATOM 1294 CE LYS A 673 14.137 -4.899 2.948 1.00 1.87 C ATOM 1295 NZ LYS A 673 14.863 -3.920 3.803 1.00 2.62 N ATOM 0 H LYS A 673 10.755 -2.467 0.185 1.00 0.59 H new ATOM 0 HA LYS A 673 12.078 -3.159 -2.118 1.00 0.69 H new ATOM 0 HB2 LYS A 673 13.243 -5.276 -1.448 1.00 0.87 H new ATOM 0 HB3 LYS A 673 14.034 -3.829 -0.855 1.00 0.87 H new ATOM 0 HG2 LYS A 673 12.188 -4.623 1.166 1.00 0.94 H new ATOM 0 HG3 LYS A 673 13.001 -6.081 0.634 1.00 0.94 H new ATOM 0 HD2 LYS A 673 15.183 -5.139 1.089 1.00 1.46 H new ATOM 0 HD3 LYS A 673 14.513 -3.538 1.331 1.00 1.46 H new ATOM 0 HE2 LYS A 673 13.076 -4.882 3.197 1.00 1.87 H new ATOM 0 HE3 LYS A 673 14.498 -5.905 3.161 1.00 1.87 H new ATOM 0 HZ1 LYS A 673 14.717 -4.158 4.805 1.00 2.62 H new ATOM 0 HZ2 LYS A 673 15.879 -3.954 3.584 1.00 2.62 H new ATOM 0 HZ3 LYS A 673 14.501 -2.963 3.619 1.00 2.62 H new