USER MOD reduce.3.24.130724 H: found=0, std=0, add=579, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 580 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 676 GLN : amide:sc=-0.00559 X(o=-0.0056,f=-0.46) USER MOD Set 1.2: A 686 LYS NZ :NH3+ 162:sc= 0 (180deg=-0.149) USER MOD Single : A 641 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 643 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 644 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 645 THR OG1 : rot -7:sc= 2.03 USER MOD Single : A 649 THR OG1 : rot 180:sc= -0.157 USER MOD Single : A 650 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 652 SER OG : rot 180:sc= -0.112 USER MOD Single : A 660 GLN : amide:sc= -0.212 K(o=-0.21,f=-1.5!) USER MOD Single : A 661 SER OG : rot 180:sc= 0.0159 USER MOD Single : A 664 GLN : amide:sc= -0.723 K(o=-0.72,f=-5.2!) USER MOD Single : A 669 TYR OH : rot 39:sc= -1 USER MOD Single : A 677 THR OG1 : rot 76:sc= 1.16 USER MOD Single : A 679 SER OG : rot -69:sc= -1.24 USER MOD Single : A 681 GLN : amide:sc= -0.184 X(o=-0.18,f=-0.078) USER MOD Single : A 687 TYR OH : rot 180:sc= 0 USER MOD Single : A 688 THR OG1 : rot -16:sc= 0.974 USER MOD Single : A 691 LYS NZ :NH3+ -143:sc= 0 (180deg=-1.01) USER MOD Single : A 694 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 695 ASN : amide:sc= -0.758 K(o=-0.76,f=1.1) USER MOD Single : A 696 GLN : amide:sc= -0.633 K(o=-0.63,f=-2.3!) USER MOD Single : A 698 TYR OH : rot 180:sc= 0 USER MOD Single : A 699 TYR OH : rot 180:sc= 0 USER MOD Single : A 701 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 702 HIS : no HD1:sc= -0.0431 X(o=-0.043,f=-0.12) USER MOD Single : A 703 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 705 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 707 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 641 148.376 -20.925 6.254 1.00 0.00 N ATOM 2 CA ASN A 641 147.425 -20.066 5.499 1.00 0.00 C ATOM 3 C ASN A 641 147.377 -20.459 4.025 1.00 0.00 C ATOM 4 O ASN A 641 147.141 -19.619 3.157 1.00 0.00 O ATOM 5 CB ASN A 641 147.868 -18.610 5.642 1.00 0.00 C ATOM 6 CG ASN A 641 147.717 -18.096 7.061 1.00 0.00 C ATOM 7 OD1 ASN A 641 146.607 -17.835 7.524 1.00 0.00 O ATOM 8 ND2 ASN A 641 148.837 -17.948 7.758 1.00 0.00 N ATOM 0 HA ASN A 641 146.422 -20.197 5.906 1.00 0.00 H new ATOM 0 HB2 ASN A 641 148.910 -18.518 5.334 1.00 0.00 H new ATOM 0 HB3 ASN A 641 147.280 -17.986 4.968 1.00 0.00 H new ATOM 0 HD21 ASN A 641 148.799 -17.605 8.718 1.00 0.00 H new ATOM 0 HD22 ASN A 641 149.736 -18.177 7.334 1.00 0.00 H new ATOM 15 N ARG A 642 147.602 -21.740 3.750 1.00 0.00 N ATOM 16 CA ARG A 642 147.584 -22.242 2.382 1.00 0.00 C ATOM 17 C ARG A 642 146.161 -22.275 1.834 1.00 0.00 C ATOM 18 O ARG A 642 145.902 -21.817 0.721 1.00 0.00 O ATOM 19 CB ARG A 642 148.197 -23.642 2.320 1.00 0.00 C ATOM 20 CG ARG A 642 149.669 -23.678 2.702 1.00 0.00 C ATOM 21 CD ARG A 642 149.878 -24.303 4.072 1.00 0.00 C ATOM 22 NE ARG A 642 150.425 -25.655 3.980 1.00 0.00 N ATOM 23 CZ ARG A 642 151.708 -25.921 3.751 1.00 0.00 C ATOM 24 NH1 ARG A 642 152.581 -24.933 3.595 1.00 0.00 N1+ ATOM 25 NH2 ARG A 642 152.122 -27.179 3.679 1.00 0.00 N ATOM 0 H ARG A 642 147.799 -22.449 4.457 1.00 0.00 H new ATOM 0 HA ARG A 642 148.177 -21.566 1.767 1.00 0.00 H new ATOM 0 HB2 ARG A 642 147.641 -24.303 2.985 1.00 0.00 H new ATOM 0 HB3 ARG A 642 148.082 -24.036 1.310 1.00 0.00 H new ATOM 0 HG2 ARG A 642 150.225 -24.244 1.955 1.00 0.00 H new ATOM 0 HG3 ARG A 642 150.071 -22.665 2.699 1.00 0.00 H new ATOM 0 HD2 ARG A 642 150.553 -23.678 4.656 1.00 0.00 H new ATOM 0 HD3 ARG A 642 148.928 -24.332 4.606 1.00 0.00 H new ATOM 0 HE ARG A 642 149.785 -26.441 4.098 1.00 0.00 H new ATOM 0 HH11 ARG A 642 152.269 -23.963 3.651 1.00 0.00 H new ATOM 0 HH12 ARG A 642 153.564 -25.144 3.420 1.00 0.00 H new ATOM 0 HH21 ARG A 642 151.457 -27.943 3.799 1.00 0.00 H new ATOM 0 HH22 ARG A 642 153.106 -27.383 3.503 1.00 0.00 H new ATOM 39 N GLN A 643 145.241 -22.819 2.623 1.00 0.00 N ATOM 40 CA GLN A 643 143.842 -22.912 2.219 1.00 0.00 C ATOM 41 C GLN A 643 142.921 -22.857 3.432 1.00 0.00 C ATOM 42 O GLN A 643 142.665 -23.874 4.076 1.00 0.00 O ATOM 43 CB GLN A 643 143.601 -24.205 1.439 1.00 0.00 C ATOM 44 CG GLN A 643 144.246 -24.216 0.062 1.00 0.00 C ATOM 45 CD GLN A 643 144.203 -25.582 -0.592 1.00 0.00 C ATOM 46 OE1 GLN A 643 143.159 -26.021 -1.073 1.00 0.00 O ATOM 47 NE2 GLN A 643 145.343 -26.265 -0.611 1.00 0.00 N ATOM 0 H GLN A 643 145.439 -23.203 3.547 1.00 0.00 H new ATOM 0 HA GLN A 643 143.617 -22.061 1.577 1.00 0.00 H new ATOM 0 HB2 GLN A 643 143.985 -25.045 2.017 1.00 0.00 H new ATOM 0 HB3 GLN A 643 142.527 -24.358 1.329 1.00 0.00 H new ATOM 0 HG2 GLN A 643 143.738 -23.495 -0.578 1.00 0.00 H new ATOM 0 HG3 GLN A 643 145.283 -23.891 0.148 1.00 0.00 H new ATOM 0 HE21 GLN A 643 146.186 -25.863 -0.200 1.00 0.00 H new ATOM 0 HE22 GLN A 643 145.375 -27.192 -1.036 1.00 0.00 H new ATOM 56 N LYS A 644 142.425 -21.662 3.739 1.00 0.00 N ATOM 57 CA LYS A 644 141.531 -21.474 4.877 1.00 0.00 C ATOM 58 C LYS A 644 140.073 -21.615 4.452 1.00 0.00 C ATOM 59 O LYS A 644 139.250 -22.150 5.193 1.00 0.00 O ATOM 60 CB LYS A 644 141.765 -20.102 5.513 1.00 0.00 C ATOM 61 CG LYS A 644 142.003 -20.161 7.014 1.00 0.00 C ATOM 62 CD LYS A 644 143.458 -20.460 7.336 1.00 0.00 C ATOM 63 CE LYS A 644 143.714 -21.956 7.421 1.00 0.00 C ATOM 64 NZ LYS A 644 145.098 -22.259 7.876 1.00 0.00 N1+ ATOM 0 H LYS A 644 142.627 -20.810 3.216 1.00 0.00 H new ATOM 0 HA LYS A 644 141.749 -22.248 5.613 1.00 0.00 H new ATOM 0 HB2 LYS A 644 142.624 -19.631 5.035 1.00 0.00 H new ATOM 0 HB3 LYS A 644 140.902 -19.467 5.315 1.00 0.00 H new ATOM 0 HG2 LYS A 644 141.717 -19.211 7.466 1.00 0.00 H new ATOM 0 HG3 LYS A 644 141.367 -20.929 7.454 1.00 0.00 H new ATOM 0 HD2 LYS A 644 144.098 -20.023 6.570 1.00 0.00 H new ATOM 0 HD3 LYS A 644 143.726 -19.990 8.282 1.00 0.00 H new ATOM 0 HE2 LYS A 644 142.999 -22.408 8.109 1.00 0.00 H new ATOM 0 HE3 LYS A 644 143.546 -22.409 6.444 1.00 0.00 H new ATOM 0 HZ1 LYS A 644 145.231 -23.289 7.920 1.00 0.00 H new ATOM 0 HZ2 LYS A 644 145.781 -21.850 7.207 1.00 0.00 H new ATOM 0 HZ3 LYS A 644 145.251 -21.849 8.820 1.00 0.00 H new ATOM 78 N THR A 645 139.765 -21.130 3.253 1.00 0.00 N ATOM 79 CA THR A 645 138.406 -21.199 2.721 1.00 0.00 C ATOM 80 C THR A 645 137.417 -20.479 3.631 1.00 0.00 C ATOM 81 O THR A 645 137.170 -20.906 4.759 1.00 0.00 O ATOM 82 CB THR A 645 137.944 -22.657 2.529 1.00 0.00 C ATOM 83 OG1 THR A 645 137.537 -23.214 3.786 1.00 0.00 O ATOM 84 CG2 THR A 645 139.055 -23.507 1.929 1.00 0.00 C ATOM 0 H THR A 645 140.438 -20.684 2.630 1.00 0.00 H new ATOM 0 HA THR A 645 138.427 -20.704 1.750 1.00 0.00 H new ATOM 0 HB THR A 645 137.099 -22.656 1.841 1.00 0.00 H new ATOM 0 HG1 THR A 645 137.744 -22.582 4.506 1.00 0.00 H new ATOM 0 HG21 THR A 645 138.703 -24.531 1.804 1.00 0.00 H new ATOM 0 HG22 THR A 645 139.340 -23.101 0.959 1.00 0.00 H new ATOM 0 HG23 THR A 645 139.919 -23.499 2.594 1.00 0.00 H new ATOM 92 N ARG A 646 136.851 -19.385 3.134 1.00 0.00 N ATOM 93 CA ARG A 646 135.885 -18.606 3.902 1.00 0.00 C ATOM 94 C ARG A 646 134.468 -18.825 3.376 1.00 0.00 C ATOM 95 O ARG A 646 133.987 -18.070 2.532 1.00 0.00 O ATOM 96 CB ARG A 646 136.238 -17.118 3.846 1.00 0.00 C ATOM 97 CG ARG A 646 137.668 -16.816 4.265 1.00 0.00 C ATOM 98 CD ARG A 646 137.737 -16.344 5.709 1.00 0.00 C ATOM 99 NE ARG A 646 139.097 -15.982 6.101 1.00 0.00 N ATOM 100 CZ ARG A 646 139.722 -14.884 5.683 1.00 0.00 C ATOM 101 NH1 ARG A 646 139.114 -14.039 4.859 1.00 0.00 N1+ ATOM 102 NH2 ARG A 646 140.959 -14.631 6.088 1.00 0.00 N ATOM 0 H ARG A 646 137.044 -19.017 2.203 1.00 0.00 H new ATOM 0 HA ARG A 646 135.925 -18.943 4.938 1.00 0.00 H new ATOM 0 HB2 ARG A 646 136.081 -16.754 2.831 1.00 0.00 H new ATOM 0 HB3 ARG A 646 135.555 -16.566 4.492 1.00 0.00 H new ATOM 0 HG2 ARG A 646 138.280 -17.709 4.143 1.00 0.00 H new ATOM 0 HG3 ARG A 646 138.086 -16.051 3.611 1.00 0.00 H new ATOM 0 HD2 ARG A 646 137.080 -15.484 5.841 1.00 0.00 H new ATOM 0 HD3 ARG A 646 137.368 -17.131 6.366 1.00 0.00 H new ATOM 0 HE ARG A 646 139.597 -16.608 6.732 1.00 0.00 H new ATOM 0 HH11 ARG A 646 138.163 -14.230 4.543 1.00 0.00 H new ATOM 0 HH12 ARG A 646 139.598 -13.199 4.542 1.00 0.00 H new ATOM 0 HH21 ARG A 646 141.431 -15.278 6.720 1.00 0.00 H new ATOM 0 HH22 ARG A 646 141.438 -13.790 5.768 1.00 0.00 H new ATOM 116 N PRO A 647 133.780 -19.868 3.871 1.00 0.00 N ATOM 117 CA PRO A 647 132.412 -20.183 3.446 1.00 0.00 C ATOM 118 C PRO A 647 131.398 -19.162 3.950 1.00 0.00 C ATOM 119 O PRO A 647 131.639 -18.468 4.938 1.00 0.00 O ATOM 120 CB PRO A 647 132.150 -21.552 4.079 1.00 0.00 C ATOM 121 CG PRO A 647 133.051 -21.600 5.263 1.00 0.00 C ATOM 122 CD PRO A 647 134.280 -20.819 4.881 1.00 0.00 C ATOM 0 HA PRO A 647 132.311 -20.173 2.361 1.00 0.00 H new ATOM 0 HB2 PRO A 647 131.106 -21.659 4.372 1.00 0.00 H new ATOM 0 HB3 PRO A 647 132.370 -22.360 3.381 1.00 0.00 H new ATOM 0 HG2 PRO A 647 132.569 -21.165 6.138 1.00 0.00 H new ATOM 0 HG3 PRO A 647 133.306 -22.629 5.518 1.00 0.00 H new ATOM 0 HD2 PRO A 647 134.712 -20.304 5.739 1.00 0.00 H new ATOM 0 HD3 PRO A 647 135.057 -21.466 4.474 1.00 0.00 H new ATOM 130 N ARG A 648 130.263 -19.074 3.264 1.00 0.00 N ATOM 131 CA ARG A 648 129.211 -18.137 3.644 1.00 0.00 C ATOM 132 C ARG A 648 129.720 -16.701 3.602 1.00 0.00 C ATOM 133 O ARG A 648 130.927 -16.458 3.631 1.00 0.00 O ATOM 134 CB ARG A 648 128.684 -18.469 5.042 1.00 0.00 C ATOM 135 CG ARG A 648 127.186 -18.718 5.085 1.00 0.00 C ATOM 136 CD ARG A 648 126.839 -19.879 6.003 1.00 0.00 C ATOM 137 NE ARG A 648 125.396 -20.016 6.195 1.00 0.00 N ATOM 138 CZ ARG A 648 124.809 -21.124 6.642 1.00 0.00 C ATOM 139 NH1 ARG A 648 125.537 -22.192 6.944 1.00 0.00 N1+ ATOM 140 NH2 ARG A 648 123.492 -21.163 6.788 1.00 0.00 N ATOM 0 H ARG A 648 130.048 -19.639 2.443 1.00 0.00 H new ATOM 0 HA ARG A 648 128.396 -18.232 2.927 1.00 0.00 H new ATOM 0 HB2 ARG A 648 129.201 -19.353 5.416 1.00 0.00 H new ATOM 0 HB3 ARG A 648 128.927 -17.648 5.717 1.00 0.00 H new ATOM 0 HG2 ARG A 648 126.676 -17.817 5.428 1.00 0.00 H new ATOM 0 HG3 ARG A 648 126.822 -18.927 4.079 1.00 0.00 H new ATOM 0 HD2 ARG A 648 127.238 -20.803 5.585 1.00 0.00 H new ATOM 0 HD3 ARG A 648 127.321 -19.733 6.970 1.00 0.00 H new ATOM 0 HE ARG A 648 124.804 -19.215 5.973 1.00 0.00 H new ATOM 0 HH11 ARG A 648 126.551 -22.166 6.834 1.00 0.00 H new ATOM 0 HH12 ARG A 648 125.083 -23.039 7.286 1.00 0.00 H new ATOM 0 HH21 ARG A 648 122.929 -20.344 6.558 1.00 0.00 H new ATOM 0 HH22 ARG A 648 123.042 -22.012 7.130 1.00 0.00 H new ATOM 154 N THR A 649 128.792 -15.752 3.534 1.00 0.00 N ATOM 155 CA THR A 649 129.148 -14.338 3.491 1.00 0.00 C ATOM 156 C THR A 649 128.278 -13.527 4.447 1.00 0.00 C ATOM 157 O THR A 649 127.419 -14.075 5.138 1.00 0.00 O ATOM 158 CB THR A 649 129.001 -13.765 2.068 1.00 0.00 C ATOM 159 OG1 THR A 649 129.376 -12.383 2.053 1.00 0.00 O ATOM 160 CG2 THR A 649 127.572 -13.912 1.568 1.00 0.00 C ATOM 0 H THR A 649 127.789 -15.936 3.508 1.00 0.00 H new ATOM 0 HA THR A 649 130.191 -14.262 3.798 1.00 0.00 H new ATOM 0 HB THR A 649 129.660 -14.327 1.407 1.00 0.00 H new ATOM 0 HG1 THR A 649 129.281 -12.028 1.144 1.00 0.00 H new ATOM 0 HG21 THR A 649 127.494 -13.500 0.562 1.00 0.00 H new ATOM 0 HG22 THR A 649 127.300 -14.967 1.550 1.00 0.00 H new ATOM 0 HG23 THR A 649 126.897 -13.374 2.233 1.00 0.00 H new ATOM 168 N LYS A 650 128.508 -12.218 4.481 1.00 0.00 N ATOM 169 CA LYS A 650 127.745 -11.332 5.353 1.00 0.00 C ATOM 170 C LYS A 650 126.461 -10.871 4.672 1.00 0.00 C ATOM 171 O LYS A 650 126.185 -11.239 3.530 1.00 0.00 O ATOM 172 CB LYS A 650 128.593 -10.121 5.751 1.00 0.00 C ATOM 173 CG LYS A 650 128.964 -10.096 7.225 1.00 0.00 C ATOM 174 CD LYS A 650 129.758 -11.331 7.621 1.00 0.00 C ATOM 175 CE LYS A 650 129.315 -11.868 8.973 1.00 0.00 C ATOM 176 NZ LYS A 650 130.258 -11.484 10.059 1.00 0.00 N1+ ATOM 0 H LYS A 650 129.215 -11.748 3.916 1.00 0.00 H new ATOM 0 HA LYS A 650 127.476 -11.888 6.251 1.00 0.00 H new ATOM 0 HB2 LYS A 650 129.506 -10.115 5.155 1.00 0.00 H new ATOM 0 HB3 LYS A 650 128.047 -9.210 5.507 1.00 0.00 H new ATOM 0 HG2 LYS A 650 129.549 -9.202 7.439 1.00 0.00 H new ATOM 0 HG3 LYS A 650 128.058 -10.036 7.828 1.00 0.00 H new ATOM 0 HD2 LYS A 650 129.633 -12.104 6.863 1.00 0.00 H new ATOM 0 HD3 LYS A 650 130.820 -11.087 7.655 1.00 0.00 H new ATOM 0 HE2 LYS A 650 128.320 -11.489 9.206 1.00 0.00 H new ATOM 0 HE3 LYS A 650 129.239 -12.954 8.925 1.00 0.00 H new ATOM 0 HZ1 LYS A 650 129.920 -11.869 10.964 1.00 0.00 H new ATOM 0 HZ2 LYS A 650 131.202 -11.867 9.850 1.00 0.00 H new ATOM 0 HZ3 LYS A 650 130.311 -10.447 10.122 1.00 0.00 H new ATOM 190 N ILE A 651 125.680 -10.064 5.381 1.00 0.00 N ATOM 191 CA ILE A 651 124.424 -9.551 4.847 1.00 0.00 C ATOM 192 C ILE A 651 123.434 -10.682 4.587 1.00 0.00 C ATOM 193 O ILE A 651 123.789 -11.710 4.011 1.00 0.00 O ATOM 194 CB ILE A 651 124.647 -8.768 3.539 1.00 0.00 C ATOM 195 CG1 ILE A 651 125.773 -7.747 3.715 1.00 0.00 C ATOM 196 CG2 ILE A 651 123.362 -8.079 3.108 1.00 0.00 C ATOM 197 CD1 ILE A 651 126.051 -6.932 2.472 1.00 0.00 C ATOM 0 H ILE A 651 125.895 -9.751 6.328 1.00 0.00 H new ATOM 0 HA ILE A 651 124.013 -8.877 5.599 1.00 0.00 H new ATOM 0 HB ILE A 651 124.938 -9.470 2.758 1.00 0.00 H new ATOM 0 HG12 ILE A 651 125.516 -7.072 4.532 1.00 0.00 H new ATOM 0 HG13 ILE A 651 126.684 -8.270 4.008 1.00 0.00 H new ATOM 0 HG21 ILE A 651 123.536 -7.530 2.183 1.00 0.00 H new ATOM 0 HG22 ILE A 651 122.585 -8.826 2.946 1.00 0.00 H new ATOM 0 HG23 ILE A 651 123.042 -7.386 3.886 1.00 0.00 H new ATOM 0 HD11 ILE A 651 126.860 -6.230 2.671 1.00 0.00 H new ATOM 0 HD12 ILE A 651 126.339 -7.597 1.658 1.00 0.00 H new ATOM 0 HD13 ILE A 651 125.154 -6.381 2.190 1.00 0.00 H new ATOM 209 N SER A 652 122.192 -10.483 5.016 1.00 0.00 N ATOM 210 CA SER A 652 121.150 -11.485 4.830 1.00 0.00 C ATOM 211 C SER A 652 120.571 -11.414 3.420 1.00 0.00 C ATOM 212 O SER A 652 120.716 -10.405 2.730 1.00 0.00 O ATOM 213 CB SER A 652 120.037 -11.292 5.861 1.00 0.00 C ATOM 214 OG SER A 652 118.974 -12.204 5.644 1.00 0.00 O ATOM 0 H SER A 652 121.883 -9.637 5.495 1.00 0.00 H new ATOM 0 HA SER A 652 121.599 -12.469 4.970 1.00 0.00 H new ATOM 0 HB2 SER A 652 120.439 -11.430 6.865 1.00 0.00 H new ATOM 0 HB3 SER A 652 119.660 -10.271 5.807 1.00 0.00 H new ATOM 0 HG SER A 652 118.277 -12.060 6.318 1.00 0.00 H new ATOM 220 N VAL A 653 119.917 -12.492 3.000 1.00 0.00 N ATOM 221 CA VAL A 653 119.316 -12.551 1.672 1.00 0.00 C ATOM 222 C VAL A 653 118.241 -11.483 1.509 1.00 0.00 C ATOM 223 O VAL A 653 118.027 -10.965 0.412 1.00 0.00 O ATOM 224 CB VAL A 653 118.696 -13.936 1.397 1.00 0.00 C ATOM 225 CG1 VAL A 653 118.218 -14.031 -0.045 1.00 0.00 C ATOM 226 CG2 VAL A 653 119.694 -15.042 1.710 1.00 0.00 C ATOM 0 H VAL A 653 119.790 -13.336 3.559 1.00 0.00 H new ATOM 0 HA VAL A 653 120.115 -12.371 0.953 1.00 0.00 H new ATOM 0 HB VAL A 653 117.833 -14.063 2.051 1.00 0.00 H new ATOM 0 HG11 VAL A 653 117.784 -15.015 -0.220 1.00 0.00 H new ATOM 0 HG12 VAL A 653 117.466 -13.264 -0.230 1.00 0.00 H new ATOM 0 HG13 VAL A 653 119.062 -13.882 -0.719 1.00 0.00 H new ATOM 0 HG21 VAL A 653 119.238 -16.011 1.510 1.00 0.00 H new ATOM 0 HG22 VAL A 653 120.579 -14.921 1.085 1.00 0.00 H new ATOM 0 HG23 VAL A 653 119.981 -14.986 2.760 1.00 0.00 H new ATOM 236 N GLU A 654 117.568 -11.156 2.606 1.00 0.00 N ATOM 237 CA GLU A 654 116.513 -10.148 2.585 1.00 0.00 C ATOM 238 C GLU A 654 117.099 -8.750 2.409 1.00 0.00 C ATOM 239 O GLU A 654 116.521 -7.905 1.728 1.00 0.00 O ATOM 240 CB GLU A 654 115.692 -10.210 3.873 1.00 0.00 C ATOM 241 CG GLU A 654 115.121 -11.589 4.166 1.00 0.00 C ATOM 242 CD GLU A 654 113.680 -11.728 3.715 1.00 0.00 C ATOM 243 OE1 GLU A 654 113.249 -10.937 2.852 1.00 0.00 O ATOM 244 OE2 GLU A 654 112.985 -12.631 4.225 1.00 0.00 O1- ATOM 0 H GLU A 654 117.734 -11.574 3.522 1.00 0.00 H new ATOM 0 HA GLU A 654 115.861 -10.359 1.737 1.00 0.00 H new ATOM 0 HB2 GLU A 654 116.319 -9.901 4.709 1.00 0.00 H new ATOM 0 HB3 GLU A 654 114.873 -9.494 3.807 1.00 0.00 H new ATOM 0 HG2 GLU A 654 115.729 -12.344 3.667 1.00 0.00 H new ATOM 0 HG3 GLU A 654 115.184 -11.785 5.236 1.00 0.00 H new ATOM 251 N ALA A 655 118.253 -8.517 3.026 1.00 0.00 N ATOM 252 CA ALA A 655 118.918 -7.223 2.937 1.00 0.00 C ATOM 253 C ALA A 655 119.458 -6.978 1.532 1.00 0.00 C ATOM 254 O ALA A 655 119.358 -5.871 1.002 1.00 0.00 O ATOM 255 CB ALA A 655 120.043 -7.138 3.958 1.00 0.00 C ATOM 0 H ALA A 655 118.746 -9.207 3.592 1.00 0.00 H new ATOM 0 HA ALA A 655 118.183 -6.448 3.155 1.00 0.00 H new ATOM 0 HB1 ALA A 655 120.532 -6.167 3.881 1.00 0.00 H new ATOM 0 HB2 ALA A 655 119.634 -7.260 4.961 1.00 0.00 H new ATOM 0 HB3 ALA A 655 120.770 -7.926 3.764 1.00 0.00 H new ATOM 261 N LEU A 656 120.030 -8.017 0.933 1.00 0.00 N ATOM 262 CA LEU A 656 120.586 -7.915 -0.411 1.00 0.00 C ATOM 263 C LEU A 656 119.499 -7.576 -1.425 1.00 0.00 C ATOM 264 O LEU A 656 119.717 -6.782 -2.340 1.00 0.00 O ATOM 265 CB LEU A 656 121.274 -9.224 -0.802 1.00 0.00 C ATOM 266 CG LEU A 656 122.074 -9.170 -2.108 1.00 0.00 C ATOM 267 CD1 LEU A 656 123.523 -9.568 -1.866 1.00 0.00 C ATOM 268 CD2 LEU A 656 121.443 -10.069 -3.160 1.00 0.00 C ATOM 0 H LEU A 656 120.121 -8.940 1.358 1.00 0.00 H new ATOM 0 HA LEU A 656 121.322 -7.111 -0.412 1.00 0.00 H new ATOM 0 HB2 LEU A 656 121.944 -9.520 0.005 1.00 0.00 H new ATOM 0 HB3 LEU A 656 120.517 -10.003 -0.889 1.00 0.00 H new ATOM 0 HG LEU A 656 122.057 -8.145 -2.477 1.00 0.00 H new ATOM 0 HD11 LEU A 656 124.074 -9.523 -2.805 1.00 0.00 H new ATOM 0 HD12 LEU A 656 123.973 -8.883 -1.148 1.00 0.00 H new ATOM 0 HD13 LEU A 656 123.560 -10.583 -1.471 1.00 0.00 H new ATOM 0 HD21 LEU A 656 122.025 -10.017 -4.080 1.00 0.00 H new ATOM 0 HD22 LEU A 656 121.427 -11.097 -2.798 1.00 0.00 H new ATOM 0 HD23 LEU A 656 120.423 -9.738 -3.357 1.00 0.00 H new ATOM 280 N GLY A 657 118.329 -8.182 -1.256 1.00 0.00 N ATOM 281 CA GLY A 657 117.225 -7.929 -2.165 1.00 0.00 C ATOM 282 C GLY A 657 116.713 -6.506 -2.073 1.00 0.00 C ATOM 283 O GLY A 657 116.434 -5.873 -3.091 1.00 0.00 O ATOM 0 H GLY A 657 118.125 -8.843 -0.507 1.00 0.00 H new ATOM 0 HA2 GLY A 657 117.546 -8.131 -3.187 1.00 0.00 H new ATOM 0 HA3 GLY A 657 116.411 -8.620 -1.944 1.00 0.00 H new ATOM 287 N ILE A 658 116.587 -6.003 -0.850 1.00 0.00 N ATOM 288 CA ILE A 658 116.102 -4.645 -0.627 1.00 0.00 C ATOM 289 C ILE A 658 117.137 -3.615 -1.068 1.00 0.00 C ATOM 290 O ILE A 658 116.788 -2.514 -1.494 1.00 0.00 O ATOM 291 CB ILE A 658 115.754 -4.408 0.856 1.00 0.00 C ATOM 292 CG1 ILE A 658 114.832 -5.514 1.372 1.00 0.00 C ATOM 293 CG2 ILE A 658 115.104 -3.043 1.036 1.00 0.00 C ATOM 294 CD1 ILE A 658 115.057 -5.858 2.828 1.00 0.00 C ATOM 0 H ILE A 658 116.814 -6.515 0.003 1.00 0.00 H new ATOM 0 HA ILE A 658 115.198 -4.528 -1.225 1.00 0.00 H new ATOM 0 HB ILE A 658 116.676 -4.431 1.437 1.00 0.00 H new ATOM 0 HG12 ILE A 658 113.796 -5.205 1.236 1.00 0.00 H new ATOM 0 HG13 ILE A 658 114.979 -6.410 0.768 1.00 0.00 H new ATOM 0 HG21 ILE A 658 114.864 -2.890 2.088 1.00 0.00 H new ATOM 0 HG22 ILE A 658 115.792 -2.266 0.704 1.00 0.00 H new ATOM 0 HG23 ILE A 658 114.190 -2.995 0.445 1.00 0.00 H new ATOM 0 HD11 ILE A 658 114.369 -6.649 3.125 1.00 0.00 H new ATOM 0 HD12 ILE A 658 116.083 -6.198 2.967 1.00 0.00 H new ATOM 0 HD13 ILE A 658 114.881 -4.975 3.442 1.00 0.00 H new ATOM 306 N LEU A 659 118.411 -3.979 -0.960 1.00 0.00 N ATOM 307 CA LEU A 659 119.496 -3.085 -1.346 1.00 0.00 C ATOM 308 C LEU A 659 119.556 -2.924 -2.862 1.00 0.00 C ATOM 309 O LEU A 659 119.763 -1.824 -3.371 1.00 0.00 O ATOM 310 CB LEU A 659 120.832 -3.616 -0.824 1.00 0.00 C ATOM 311 CG LEU A 659 121.127 -3.296 0.643 1.00 0.00 C ATOM 312 CD1 LEU A 659 121.927 -4.421 1.284 1.00 0.00 C ATOM 313 CD2 LEU A 659 121.875 -1.976 0.760 1.00 0.00 C ATOM 0 H LEU A 659 118.717 -4.886 -0.609 1.00 0.00 H new ATOM 0 HA LEU A 659 119.303 -2.108 -0.903 1.00 0.00 H new ATOM 0 HB2 LEU A 659 120.852 -4.698 -0.955 1.00 0.00 H new ATOM 0 HB3 LEU A 659 121.634 -3.206 -1.438 1.00 0.00 H new ATOM 0 HG LEU A 659 120.179 -3.203 1.173 1.00 0.00 H new ATOM 0 HD11 LEU A 659 122.128 -4.176 2.327 1.00 0.00 H new ATOM 0 HD12 LEU A 659 121.357 -5.348 1.232 1.00 0.00 H new ATOM 0 HD13 LEU A 659 122.871 -4.545 0.753 1.00 0.00 H new ATOM 0 HD21 LEU A 659 122.077 -1.764 1.810 1.00 0.00 H new ATOM 0 HD22 LEU A 659 122.817 -2.042 0.216 1.00 0.00 H new ATOM 0 HD23 LEU A 659 121.268 -1.175 0.338 1.00 0.00 H new ATOM 325 N GLN A 660 119.374 -4.030 -3.576 1.00 0.00 N ATOM 326 CA GLN A 660 119.409 -4.013 -5.035 1.00 0.00 C ATOM 327 C GLN A 660 118.350 -3.068 -5.594 1.00 0.00 C ATOM 328 O GLN A 660 118.616 -2.299 -6.517 1.00 0.00 O ATOM 329 CB GLN A 660 119.194 -5.422 -5.587 1.00 0.00 C ATOM 330 CG GLN A 660 120.478 -6.224 -5.726 1.00 0.00 C ATOM 331 CD GLN A 660 120.633 -6.847 -7.099 1.00 0.00 C ATOM 332 OE1 GLN A 660 120.119 -6.329 -8.091 1.00 0.00 O ATOM 333 NE2 GLN A 660 121.346 -7.965 -7.166 1.00 0.00 N ATOM 0 H GLN A 660 119.201 -4.949 -3.169 1.00 0.00 H new ATOM 0 HA GLN A 660 120.390 -3.654 -5.346 1.00 0.00 H new ATOM 0 HB2 GLN A 660 118.509 -5.959 -4.931 1.00 0.00 H new ATOM 0 HB3 GLN A 660 118.712 -5.351 -6.562 1.00 0.00 H new ATOM 0 HG2 GLN A 660 121.331 -5.574 -5.528 1.00 0.00 H new ATOM 0 HG3 GLN A 660 120.494 -7.010 -4.971 1.00 0.00 H new ATOM 0 HE21 GLN A 660 121.755 -8.361 -6.319 1.00 0.00 H new ATOM 0 HE22 GLN A 660 121.485 -8.428 -8.064 1.00 0.00 H new ATOM 342 N SER A 661 117.149 -3.131 -5.028 1.00 0.00 N ATOM 343 CA SER A 661 116.051 -2.281 -5.471 1.00 0.00 C ATOM 344 C SER A 661 116.344 -0.813 -5.178 1.00 0.00 C ATOM 345 O SER A 661 115.900 0.077 -5.903 1.00 0.00 O ATOM 346 CB SER A 661 114.747 -2.699 -4.789 1.00 0.00 C ATOM 347 OG SER A 661 114.680 -4.106 -4.637 1.00 0.00 O ATOM 0 H SER A 661 116.912 -3.762 -4.262 1.00 0.00 H new ATOM 0 HA SER A 661 115.945 -2.402 -6.549 1.00 0.00 H new ATOM 0 HB2 SER A 661 114.674 -2.221 -3.812 1.00 0.00 H new ATOM 0 HB3 SER A 661 113.898 -2.353 -5.378 1.00 0.00 H new ATOM 0 HG SER A 661 113.838 -4.348 -4.197 1.00 0.00 H new ATOM 353 N PHE A 662 117.095 -0.566 -4.108 1.00 0.00 N ATOM 354 CA PHE A 662 117.447 0.794 -3.718 1.00 0.00 C ATOM 355 C PHE A 662 118.433 1.407 -4.708 1.00 0.00 C ATOM 356 O PHE A 662 118.381 2.603 -4.990 1.00 0.00 O ATOM 357 CB PHE A 662 118.045 0.803 -2.311 1.00 0.00 C ATOM 358 CG PHE A 662 118.230 2.182 -1.747 1.00 0.00 C ATOM 359 CD1 PHE A 662 119.322 2.954 -2.109 1.00 0.00 C ATOM 360 CD2 PHE A 662 117.311 2.709 -0.853 1.00 0.00 C ATOM 361 CE1 PHE A 662 119.495 4.223 -1.592 1.00 0.00 C ATOM 362 CE2 PHE A 662 117.477 3.977 -0.332 1.00 0.00 C ATOM 363 CZ PHE A 662 118.573 4.736 -0.702 1.00 0.00 C ATOM 0 H PHE A 662 117.471 -1.291 -3.496 1.00 0.00 H new ATOM 0 HA PHE A 662 116.537 1.394 -3.723 1.00 0.00 H new ATOM 0 HB2 PHE A 662 117.398 0.231 -1.646 1.00 0.00 H new ATOM 0 HB3 PHE A 662 119.009 0.295 -2.332 1.00 0.00 H new ATOM 0 HD1 PHE A 662 120.047 2.558 -2.804 1.00 0.00 H new ATOM 0 HD2 PHE A 662 116.454 2.120 -0.560 1.00 0.00 H new ATOM 0 HE1 PHE A 662 120.351 4.813 -1.884 1.00 0.00 H new ATOM 0 HE2 PHE A 662 116.753 4.375 0.363 1.00 0.00 H new ATOM 0 HZ PHE A 662 118.707 5.728 -0.295 1.00 0.00 H new ATOM 373 N ILE A 663 119.332 0.578 -5.230 1.00 0.00 N ATOM 374 CA ILE A 663 120.330 1.039 -6.188 1.00 0.00 C ATOM 375 C ILE A 663 119.704 1.295 -7.554 1.00 0.00 C ATOM 376 O ILE A 663 120.138 2.180 -8.291 1.00 0.00 O ATOM 377 CB ILE A 663 121.474 0.018 -6.341 1.00 0.00 C ATOM 378 CG1 ILE A 663 122.030 -0.371 -4.970 1.00 0.00 C ATOM 379 CG2 ILE A 663 122.578 0.583 -7.224 1.00 0.00 C ATOM 380 CD1 ILE A 663 122.679 -1.739 -4.948 1.00 0.00 C ATOM 0 H ILE A 663 119.389 -0.415 -5.006 1.00 0.00 H new ATOM 0 HA ILE A 663 120.736 1.972 -5.798 1.00 0.00 H new ATOM 0 HB ILE A 663 121.076 -0.878 -6.818 1.00 0.00 H new ATOM 0 HG12 ILE A 663 122.762 0.375 -4.658 1.00 0.00 H new ATOM 0 HG13 ILE A 663 121.222 -0.349 -4.239 1.00 0.00 H new ATOM 0 HG21 ILE A 663 123.378 -0.151 -7.321 1.00 0.00 H new ATOM 0 HG22 ILE A 663 122.174 0.812 -8.210 1.00 0.00 H new ATOM 0 HG23 ILE A 663 122.974 1.493 -6.774 1.00 0.00 H new ATOM 0 HD11 ILE A 663 123.051 -1.949 -3.945 1.00 0.00 H new ATOM 0 HD12 ILE A 663 121.945 -2.494 -5.229 1.00 0.00 H new ATOM 0 HD13 ILE A 663 123.509 -1.759 -5.654 1.00 0.00 H new ATOM 392 N GLN A 664 118.682 0.515 -7.887 1.00 0.00 N ATOM 393 CA GLN A 664 117.996 0.657 -9.166 1.00 0.00 C ATOM 394 C GLN A 664 116.954 1.771 -9.110 1.00 0.00 C ATOM 395 O GLN A 664 116.597 2.349 -10.137 1.00 0.00 O ATOM 396 CB GLN A 664 117.328 -0.662 -9.558 1.00 0.00 C ATOM 397 CG GLN A 664 118.313 -1.752 -9.946 1.00 0.00 C ATOM 398 CD GLN A 664 117.901 -3.119 -9.437 1.00 0.00 C ATOM 399 OE1 GLN A 664 117.125 -3.233 -8.487 1.00 0.00 O ATOM 400 NE2 GLN A 664 118.420 -4.166 -10.068 1.00 0.00 N ATOM 0 H GLN A 664 118.310 -0.223 -7.289 1.00 0.00 H new ATOM 0 HA GLN A 664 118.739 0.920 -9.919 1.00 0.00 H new ATOM 0 HB2 GLN A 664 116.720 -1.013 -8.724 1.00 0.00 H new ATOM 0 HB3 GLN A 664 116.651 -0.482 -10.393 1.00 0.00 H new ATOM 0 HG2 GLN A 664 118.403 -1.785 -11.032 1.00 0.00 H new ATOM 0 HG3 GLN A 664 119.298 -1.503 -9.551 1.00 0.00 H new ATOM 0 HE21 GLN A 664 119.059 -4.025 -10.850 1.00 0.00 H new ATOM 0 HE22 GLN A 664 118.180 -5.111 -9.770 1.00 0.00 H new ATOM 409 N ASP A 665 116.467 2.066 -7.909 1.00 0.00 N ATOM 410 CA ASP A 665 115.463 3.108 -7.728 1.00 0.00 C ATOM 411 C ASP A 665 116.099 4.405 -7.233 1.00 0.00 C ATOM 412 O ASP A 665 116.089 5.418 -7.932 1.00 0.00 O ATOM 413 CB ASP A 665 114.389 2.645 -6.742 1.00 0.00 C ATOM 414 CG ASP A 665 113.325 1.792 -7.406 1.00 0.00 C ATOM 415 OD1 ASP A 665 113.640 0.647 -7.793 1.00 0.00 O1- ATOM 416 OD2 ASP A 665 112.178 2.269 -7.538 1.00 0.00 O ATOM 0 H ASP A 665 116.751 1.599 -7.048 1.00 0.00 H new ATOM 0 HA ASP A 665 115.001 3.300 -8.696 1.00 0.00 H new ATOM 0 HB2 ASP A 665 114.858 2.077 -5.939 1.00 0.00 H new ATOM 0 HB3 ASP A 665 113.920 3.516 -6.284 1.00 0.00 H new ATOM 421 N VAL A 666 116.645 4.367 -6.021 1.00 0.00 N ATOM 422 CA VAL A 666 117.279 5.540 -5.433 1.00 0.00 C ATOM 423 C VAL A 666 118.582 5.885 -6.147 1.00 0.00 C ATOM 424 O VAL A 666 118.670 6.896 -6.842 1.00 0.00 O ATOM 425 CB VAL A 666 117.566 5.333 -3.933 1.00 0.00 C ATOM 426 CG1 VAL A 666 118.043 6.628 -3.295 1.00 0.00 C ATOM 427 CG2 VAL A 666 116.328 4.804 -3.223 1.00 0.00 C ATOM 0 H VAL A 666 116.661 3.537 -5.428 1.00 0.00 H new ATOM 0 HA VAL A 666 116.578 6.366 -5.551 1.00 0.00 H new ATOM 0 HB VAL A 666 118.360 4.593 -3.832 1.00 0.00 H new ATOM 0 HG11 VAL A 666 118.240 6.461 -2.236 1.00 0.00 H new ATOM 0 HG12 VAL A 666 118.957 6.960 -3.786 1.00 0.00 H new ATOM 0 HG13 VAL A 666 117.274 7.392 -3.405 1.00 0.00 H new ATOM 0 HG21 VAL A 666 116.548 4.663 -2.165 1.00 0.00 H new ATOM 0 HG22 VAL A 666 115.512 5.519 -3.332 1.00 0.00 H new ATOM 0 HG23 VAL A 666 116.036 3.850 -3.663 1.00 0.00 H new ATOM 437 N GLY A 667 119.594 5.040 -5.969 1.00 0.00 N ATOM 438 CA GLY A 667 120.877 5.279 -6.603 1.00 0.00 C ATOM 439 C GLY A 667 122.012 4.551 -5.911 1.00 0.00 C ATOM 440 O GLY A 667 121.784 3.757 -4.998 1.00 0.00 O ATOM 0 H GLY A 667 119.548 4.196 -5.398 1.00 0.00 H new ATOM 0 HA2 GLY A 667 120.828 4.962 -7.645 1.00 0.00 H new ATOM 0 HA3 GLY A 667 121.084 6.349 -6.605 1.00 0.00 H new ATOM 444 N LEU A 668 123.238 4.823 -6.345 1.00 0.00 N ATOM 445 CA LEU A 668 124.414 4.187 -5.764 1.00 0.00 C ATOM 446 C LEU A 668 125.022 5.054 -4.662 1.00 0.00 C ATOM 447 O LEU A 668 125.721 4.553 -3.782 1.00 0.00 O ATOM 448 CB LEU A 668 125.461 3.915 -6.847 1.00 0.00 C ATOM 449 CG LEU A 668 124.970 3.075 -8.026 1.00 0.00 C ATOM 450 CD1 LEU A 668 124.499 3.972 -9.161 1.00 0.00 C ATOM 451 CD2 LEU A 668 126.067 2.135 -8.506 1.00 0.00 C ATOM 0 H LEU A 668 123.443 5.480 -7.098 1.00 0.00 H new ATOM 0 HA LEU A 668 124.099 3.241 -5.323 1.00 0.00 H new ATOM 0 HB2 LEU A 668 125.824 4.870 -7.227 1.00 0.00 H new ATOM 0 HB3 LEU A 668 126.312 3.409 -6.390 1.00 0.00 H new ATOM 0 HG LEU A 668 124.125 2.473 -7.691 1.00 0.00 H new ATOM 0 HD11 LEU A 668 124.153 3.357 -9.992 1.00 0.00 H new ATOM 0 HD12 LEU A 668 123.681 4.602 -8.811 1.00 0.00 H new ATOM 0 HD13 LEU A 668 125.325 4.601 -9.495 1.00 0.00 H new ATOM 0 HD21 LEU A 668 125.699 1.545 -9.346 1.00 0.00 H new ATOM 0 HD22 LEU A 668 126.932 2.717 -8.823 1.00 0.00 H new ATOM 0 HD23 LEU A 668 126.356 1.468 -7.694 1.00 0.00 H new ATOM 463 N TYR A 669 124.753 6.355 -4.717 1.00 0.00 N ATOM 464 CA TYR A 669 125.277 7.285 -3.724 1.00 0.00 C ATOM 465 C TYR A 669 124.177 7.746 -2.768 1.00 0.00 C ATOM 466 O TYR A 669 123.573 8.799 -2.969 1.00 0.00 O ATOM 467 CB TYR A 669 125.910 8.496 -4.412 1.00 0.00 C ATOM 468 CG TYR A 669 127.215 8.185 -5.107 1.00 0.00 C ATOM 469 CD1 TYR A 669 128.358 7.878 -4.378 1.00 0.00 C ATOM 470 CD2 TYR A 669 127.307 8.196 -6.493 1.00 0.00 C ATOM 471 CE1 TYR A 669 129.553 7.592 -5.008 1.00 0.00 C ATOM 472 CE2 TYR A 669 128.498 7.911 -7.133 1.00 0.00 C ATOM 473 CZ TYR A 669 129.619 7.610 -6.385 1.00 0.00 C ATOM 474 OH TYR A 669 130.807 7.326 -7.018 1.00 0.00 O ATOM 0 H TYR A 669 124.176 6.788 -5.438 1.00 0.00 H new ATOM 0 HA TYR A 669 126.039 6.763 -3.145 1.00 0.00 H new ATOM 0 HB2 TYR A 669 125.207 8.897 -5.141 1.00 0.00 H new ATOM 0 HB3 TYR A 669 126.080 9.276 -3.670 1.00 0.00 H new ATOM 0 HD1 TYR A 669 128.311 7.863 -3.299 1.00 0.00 H new ATOM 0 HD2 TYR A 669 126.432 8.431 -7.081 1.00 0.00 H new ATOM 0 HE1 TYR A 669 130.431 7.356 -4.425 1.00 0.00 H new ATOM 0 HE2 TYR A 669 128.552 7.924 -8.212 1.00 0.00 H new ATOM 0 HH TYR A 669 131.264 6.600 -6.545 1.00 0.00 H new ATOM 484 N PRO A 670 123.904 6.960 -1.712 1.00 0.00 N ATOM 485 CA PRO A 670 122.873 7.293 -0.725 1.00 0.00 C ATOM 486 C PRO A 670 123.286 8.459 0.169 1.00 0.00 C ATOM 487 O PRO A 670 124.276 9.139 -0.097 1.00 0.00 O ATOM 488 CB PRO A 670 122.742 6.010 0.095 1.00 0.00 C ATOM 489 CG PRO A 670 124.071 5.350 -0.023 1.00 0.00 C ATOM 490 CD PRO A 670 124.580 5.685 -1.399 1.00 0.00 C ATOM 0 HA PRO A 670 121.942 7.610 -1.195 1.00 0.00 H new ATOM 0 HB2 PRO A 670 122.499 6.228 1.135 1.00 0.00 H new ATOM 0 HB3 PRO A 670 121.947 5.372 -0.292 1.00 0.00 H new ATOM 0 HG2 PRO A 670 124.755 5.711 0.745 1.00 0.00 H new ATOM 0 HG3 PRO A 670 123.984 4.272 0.109 1.00 0.00 H new ATOM 0 HD2 PRO A 670 125.665 5.792 -1.411 1.00 0.00 H new ATOM 0 HD3 PRO A 670 124.328 4.908 -2.121 1.00 0.00 H new ATOM 498 N ASP A 671 122.520 8.681 1.234 1.00 0.00 N ATOM 499 CA ASP A 671 122.807 9.762 2.169 1.00 0.00 C ATOM 500 C ASP A 671 122.924 9.232 3.594 1.00 0.00 C ATOM 501 O ASP A 671 122.655 8.059 3.854 1.00 0.00 O ATOM 502 CB ASP A 671 121.712 10.831 2.096 1.00 0.00 C ATOM 503 CG ASP A 671 122.120 12.019 1.248 1.00 0.00 C ATOM 504 OD1 ASP A 671 123.051 11.873 0.430 1.00 0.00 O1- ATOM 505 OD2 ASP A 671 121.507 13.096 1.404 1.00 0.00 O ATOM 0 H ASP A 671 121.697 8.127 1.470 1.00 0.00 H new ATOM 0 HA ASP A 671 123.761 10.209 1.889 1.00 0.00 H new ATOM 0 HB2 ASP A 671 120.804 10.390 1.685 1.00 0.00 H new ATOM 0 HB3 ASP A 671 121.473 11.172 3.103 1.00 0.00 H new ATOM 510 N GLU A 672 123.328 10.103 4.513 1.00 0.00 N ATOM 511 CA GLU A 672 123.481 9.722 5.913 1.00 0.00 C ATOM 512 C GLU A 672 122.156 9.233 6.491 1.00 0.00 C ATOM 513 O GLU A 672 122.132 8.369 7.367 1.00 0.00 O ATOM 514 CB GLU A 672 124.005 10.904 6.730 1.00 0.00 C ATOM 515 CG GLU A 672 125.512 10.891 6.922 1.00 0.00 C ATOM 516 CD GLU A 672 126.126 12.274 6.813 1.00 0.00 C ATOM 517 OE1 GLU A 672 126.290 12.762 5.676 1.00 0.00 O1- ATOM 518 OE2 GLU A 672 126.443 12.867 7.867 1.00 0.00 O ATOM 0 H GLU A 672 123.555 11.077 4.314 1.00 0.00 H new ATOM 0 HA GLU A 672 124.202 8.906 5.966 1.00 0.00 H new ATOM 0 HB2 GLU A 672 123.718 11.832 6.236 1.00 0.00 H new ATOM 0 HB3 GLU A 672 123.523 10.901 7.707 1.00 0.00 H new ATOM 0 HG2 GLU A 672 125.746 10.469 7.900 1.00 0.00 H new ATOM 0 HG3 GLU A 672 125.964 10.237 6.176 1.00 0.00 H new ATOM 525 N GLU A 673 121.058 9.791 5.994 1.00 0.00 N ATOM 526 CA GLU A 673 119.730 9.412 6.462 1.00 0.00 C ATOM 527 C GLU A 673 119.327 8.050 5.905 1.00 0.00 C ATOM 528 O GLU A 673 118.600 7.294 6.552 1.00 0.00 O ATOM 529 CB GLU A 673 118.700 10.467 6.052 1.00 0.00 C ATOM 530 CG GLU A 673 119.006 11.855 6.591 1.00 0.00 C ATOM 531 CD GLU A 673 119.559 12.784 5.527 1.00 0.00 C ATOM 532 OE1 GLU A 673 120.105 12.281 4.524 1.00 0.00 O1- ATOM 533 OE2 GLU A 673 119.446 14.016 5.700 1.00 0.00 O ATOM 0 H GLU A 673 121.061 10.507 5.268 1.00 0.00 H new ATOM 0 HA GLU A 673 119.760 9.347 7.550 1.00 0.00 H new ATOM 0 HB2 GLU A 673 118.650 10.511 4.964 1.00 0.00 H new ATOM 0 HB3 GLU A 673 117.716 10.158 6.404 1.00 0.00 H new ATOM 0 HG2 GLU A 673 118.097 12.287 7.009 1.00 0.00 H new ATOM 0 HG3 GLU A 673 119.724 11.774 7.407 1.00 0.00 H new ATOM 540 N ALA A 674 119.803 7.743 4.704 1.00 0.00 N ATOM 541 CA ALA A 674 119.491 6.472 4.060 1.00 0.00 C ATOM 542 C ALA A 674 120.204 5.316 4.755 1.00 0.00 C ATOM 543 O ALA A 674 119.609 4.267 5.000 1.00 0.00 O ATOM 544 CB ALA A 674 119.874 6.520 2.588 1.00 0.00 C ATOM 0 H ALA A 674 120.406 8.356 4.156 1.00 0.00 H new ATOM 0 HA ALA A 674 118.417 6.305 4.141 1.00 0.00 H new ATOM 0 HB1 ALA A 674 119.636 5.565 2.119 1.00 0.00 H new ATOM 0 HB2 ALA A 674 119.318 7.316 2.093 1.00 0.00 H new ATOM 0 HB3 ALA A 674 120.943 6.713 2.496 1.00 0.00 H new ATOM 550 N ILE A 675 121.478 5.517 5.071 1.00 0.00 N ATOM 551 CA ILE A 675 122.270 4.490 5.740 1.00 0.00 C ATOM 552 C ILE A 675 121.829 4.314 7.188 1.00 0.00 C ATOM 553 O ILE A 675 121.899 3.215 7.739 1.00 0.00 O ATOM 554 CB ILE A 675 123.773 4.831 5.710 1.00 0.00 C ATOM 555 CG1 ILE A 675 124.211 5.188 4.288 1.00 0.00 C ATOM 556 CG2 ILE A 675 124.590 3.666 6.246 1.00 0.00 C ATOM 557 CD1 ILE A 675 125.677 5.545 4.180 1.00 0.00 C ATOM 0 H ILE A 675 121.985 6.380 4.875 1.00 0.00 H new ATOM 0 HA ILE A 675 122.106 3.559 5.197 1.00 0.00 H new ATOM 0 HB ILE A 675 123.947 5.696 6.350 1.00 0.00 H new ATOM 0 HG12 ILE A 675 124.001 4.345 3.629 1.00 0.00 H new ATOM 0 HG13 ILE A 675 123.614 6.027 3.932 1.00 0.00 H new ATOM 0 HG21 ILE A 675 125.649 3.921 6.219 1.00 0.00 H new ATOM 0 HG22 ILE A 675 124.294 3.456 7.274 1.00 0.00 H new ATOM 0 HG23 ILE A 675 124.413 2.784 5.630 1.00 0.00 H new ATOM 0 HD11 ILE A 675 125.917 5.787 3.145 1.00 0.00 H new ATOM 0 HD12 ILE A 675 125.889 6.407 4.813 1.00 0.00 H new ATOM 0 HD13 ILE A 675 126.282 4.699 4.505 1.00 0.00 H new ATOM 569 N GLN A 676 121.373 5.403 7.800 1.00 0.00 N ATOM 570 CA GLN A 676 120.919 5.367 9.185 1.00 0.00 C ATOM 571 C GLN A 676 119.659 4.519 9.322 1.00 0.00 C ATOM 572 O GLN A 676 119.530 3.725 10.254 1.00 0.00 O ATOM 573 CB GLN A 676 120.656 6.787 9.693 1.00 0.00 C ATOM 574 CG GLN A 676 121.654 7.251 10.743 1.00 0.00 C ATOM 575 CD GLN A 676 121.386 6.649 12.108 1.00 0.00 C ATOM 576 OE1 GLN A 676 120.242 6.585 12.557 1.00 0.00 O ATOM 577 NE2 GLN A 676 122.444 6.202 12.775 1.00 0.00 N ATOM 0 H GLN A 676 121.308 6.320 7.358 1.00 0.00 H new ATOM 0 HA GLN A 676 121.705 4.914 9.789 1.00 0.00 H new ATOM 0 HB2 GLN A 676 120.682 7.477 8.849 1.00 0.00 H new ATOM 0 HB3 GLN A 676 119.651 6.834 10.113 1.00 0.00 H new ATOM 0 HG2 GLN A 676 122.662 6.985 10.424 1.00 0.00 H new ATOM 0 HG3 GLN A 676 121.620 8.338 10.816 1.00 0.00 H new ATOM 0 HE21 GLN A 676 123.375 6.276 12.364 1.00 0.00 H new ATOM 0 HE22 GLN A 676 122.326 5.785 13.698 1.00 0.00 H new ATOM 586 N THR A 677 118.730 4.692 8.386 1.00 0.00 N ATOM 587 CA THR A 677 117.480 3.944 8.402 1.00 0.00 C ATOM 588 C THR A 677 117.710 2.480 8.040 1.00 0.00 C ATOM 589 O THR A 677 117.198 1.578 8.703 1.00 0.00 O ATOM 590 CB THR A 677 116.451 4.545 7.427 1.00 0.00 C ATOM 591 OG1 THR A 677 116.391 5.968 7.592 1.00 0.00 O ATOM 592 CG2 THR A 677 115.072 3.945 7.657 1.00 0.00 C ATOM 0 H THR A 677 118.821 5.344 7.607 1.00 0.00 H new ATOM 0 HA THR A 677 117.088 4.008 9.417 1.00 0.00 H new ATOM 0 HB THR A 677 116.767 4.310 6.411 1.00 0.00 H new ATOM 0 HG1 THR A 677 117.180 6.379 7.180 1.00 0.00 H new ATOM 0 HG21 THR A 677 114.362 4.385 6.957 1.00 0.00 H new ATOM 0 HG22 THR A 677 115.114 2.867 7.502 1.00 0.00 H new ATOM 0 HG23 THR A 677 114.751 4.152 8.678 1.00 0.00 H new ATOM 600 N LEU A 678 118.486 2.252 6.985 1.00 0.00 N ATOM 601 CA LEU A 678 118.784 0.899 6.534 1.00 0.00 C ATOM 602 C LEU A 678 119.574 0.136 7.593 1.00 0.00 C ATOM 603 O LEU A 678 119.428 -1.079 7.736 1.00 0.00 O ATOM 604 CB LEU A 678 119.569 0.936 5.222 1.00 0.00 C ATOM 605 CG LEU A 678 118.712 0.905 3.954 1.00 0.00 C ATOM 606 CD1 LEU A 678 118.441 2.318 3.460 1.00 0.00 C ATOM 607 CD2 LEU A 678 119.392 0.081 2.870 1.00 0.00 C ATOM 0 H LEU A 678 118.919 2.988 6.427 1.00 0.00 H new ATOM 0 HA LEU A 678 117.839 0.382 6.367 1.00 0.00 H new ATOM 0 HB2 LEU A 678 120.180 1.838 5.207 1.00 0.00 H new ATOM 0 HB3 LEU A 678 120.253 0.087 5.201 1.00 0.00 H new ATOM 0 HG LEU A 678 117.758 0.436 4.194 1.00 0.00 H new ATOM 0 HD11 LEU A 678 117.831 2.277 2.558 1.00 0.00 H new ATOM 0 HD12 LEU A 678 117.912 2.878 4.231 1.00 0.00 H new ATOM 0 HD13 LEU A 678 119.386 2.813 3.236 1.00 0.00 H new ATOM 0 HD21 LEU A 678 118.768 0.070 1.976 1.00 0.00 H new ATOM 0 HD22 LEU A 678 120.360 0.521 2.632 1.00 0.00 H new ATOM 0 HD23 LEU A 678 119.535 -0.940 3.225 1.00 0.00 H new ATOM 619 N SER A 679 120.414 0.856 8.330 1.00 0.00 N ATOM 620 CA SER A 679 121.228 0.247 9.375 1.00 0.00 C ATOM 621 C SER A 679 120.371 -0.146 10.574 1.00 0.00 C ATOM 622 O SER A 679 120.491 -1.252 11.099 1.00 0.00 O ATOM 623 CB SER A 679 122.332 1.209 9.815 1.00 0.00 C ATOM 624 OG SER A 679 123.478 1.084 8.990 1.00 0.00 O ATOM 0 H SER A 679 120.548 1.861 8.223 1.00 0.00 H new ATOM 0 HA SER A 679 121.683 -0.655 8.967 1.00 0.00 H new ATOM 0 HB2 SER A 679 121.962 2.234 9.776 1.00 0.00 H new ATOM 0 HB3 SER A 679 122.603 1.007 10.851 1.00 0.00 H new ATOM 0 HG SER A 679 123.903 0.215 9.149 1.00 0.00 H new ATOM 630 N ALA A 680 119.508 0.769 11.003 1.00 0.00 N ATOM 631 CA ALA A 680 118.632 0.518 12.140 1.00 0.00 C ATOM 632 C ALA A 680 117.552 -0.500 11.789 1.00 0.00 C ATOM 633 O ALA A 680 117.279 -1.422 12.557 1.00 0.00 O ATOM 634 CB ALA A 680 118.000 1.817 12.616 1.00 0.00 C ATOM 0 H ALA A 680 119.397 1.691 10.580 1.00 0.00 H new ATOM 0 HA ALA A 680 119.236 0.103 12.947 1.00 0.00 H new ATOM 0 HB1 ALA A 680 117.348 1.614 13.466 1.00 0.00 H new ATOM 0 HB2 ALA A 680 118.783 2.514 12.917 1.00 0.00 H new ATOM 0 HB3 ALA A 680 117.416 2.255 11.807 1.00 0.00 H new ATOM 640 N GLN A 681 116.941 -0.326 10.621 1.00 0.00 N ATOM 641 CA GLN A 681 115.890 -1.232 10.167 1.00 0.00 C ATOM 642 C GLN A 681 116.434 -2.644 9.975 1.00 0.00 C ATOM 643 O GLN A 681 115.982 -3.587 10.624 1.00 0.00 O ATOM 644 CB GLN A 681 115.282 -0.724 8.859 1.00 0.00 C ATOM 645 CG GLN A 681 113.861 -1.206 8.621 1.00 0.00 C ATOM 646 CD GLN A 681 113.809 -2.564 7.952 1.00 0.00 C ATOM 647 OE1 GLN A 681 113.258 -3.520 8.500 1.00 0.00 O ATOM 648 NE2 GLN A 681 114.384 -2.658 6.758 1.00 0.00 N ATOM 0 H GLN A 681 117.155 0.432 9.973 1.00 0.00 H new ATOM 0 HA GLN A 681 115.115 -1.263 10.932 1.00 0.00 H new ATOM 0 HB2 GLN A 681 115.291 0.366 8.863 1.00 0.00 H new ATOM 0 HB3 GLN A 681 115.910 -1.045 8.028 1.00 0.00 H new ATOM 0 HG2 GLN A 681 113.334 -1.254 9.574 1.00 0.00 H new ATOM 0 HG3 GLN A 681 113.334 -0.480 8.002 1.00 0.00 H new ATOM 0 HE21 GLN A 681 114.829 -1.841 6.341 1.00 0.00 H new ATOM 0 HE22 GLN A 681 114.380 -3.547 6.259 1.00 0.00 H new ATOM 657 N LEU A 682 117.407 -2.781 9.080 1.00 0.00 N ATOM 658 CA LEU A 682 118.013 -4.077 8.802 1.00 0.00 C ATOM 659 C LEU A 682 118.860 -4.556 9.981 1.00 0.00 C ATOM 660 O LEU A 682 119.199 -5.735 10.072 1.00 0.00 O ATOM 661 CB LEU A 682 118.876 -4.000 7.540 1.00 0.00 C ATOM 662 CG LEU A 682 118.137 -3.553 6.278 1.00 0.00 C ATOM 663 CD1 LEU A 682 119.125 -3.136 5.201 1.00 0.00 C ATOM 664 CD2 LEU A 682 117.231 -4.665 5.771 1.00 0.00 C ATOM 0 H LEU A 682 117.792 -2.010 8.535 1.00 0.00 H new ATOM 0 HA LEU A 682 117.208 -4.795 8.644 1.00 0.00 H new ATOM 0 HB2 LEU A 682 119.700 -3.311 7.723 1.00 0.00 H new ATOM 0 HB3 LEU A 682 119.315 -4.981 7.358 1.00 0.00 H new ATOM 0 HG LEU A 682 117.518 -2.691 6.527 1.00 0.00 H new ATOM 0 HD11 LEU A 682 118.581 -2.821 4.310 1.00 0.00 H new ATOM 0 HD12 LEU A 682 119.733 -2.309 5.566 1.00 0.00 H new ATOM 0 HD13 LEU A 682 119.770 -3.979 4.953 1.00 0.00 H new ATOM 0 HD21 LEU A 682 116.712 -4.331 4.872 1.00 0.00 H new ATOM 0 HD22 LEU A 682 117.831 -5.545 5.538 1.00 0.00 H new ATOM 0 HD23 LEU A 682 116.500 -4.917 6.539 1.00 0.00 H new ATOM 676 N ASP A 683 119.201 -3.635 10.880 1.00 0.00 N ATOM 677 CA ASP A 683 120.009 -3.968 12.049 1.00 0.00 C ATOM 678 C ASP A 683 121.427 -4.348 11.638 1.00 0.00 C ATOM 679 O ASP A 683 122.067 -5.182 12.279 1.00 0.00 O ATOM 680 CB ASP A 683 119.367 -5.114 12.836 1.00 0.00 C ATOM 681 CG ASP A 683 119.476 -4.917 14.335 1.00 0.00 C ATOM 682 OD1 ASP A 683 120.540 -4.456 14.798 1.00 0.00 O1- ATOM 683 OD2 ASP A 683 118.496 -5.224 15.048 1.00 0.00 O ATOM 0 H ASP A 683 118.930 -2.653 10.821 1.00 0.00 H new ATOM 0 HA ASP A 683 120.058 -3.086 12.687 1.00 0.00 H new ATOM 0 HB2 ASP A 683 118.316 -5.198 12.559 1.00 0.00 H new ATOM 0 HB3 ASP A 683 119.845 -6.054 12.560 1.00 0.00 H new ATOM 688 N LEU A 684 121.912 -3.728 10.567 1.00 0.00 N ATOM 689 CA LEU A 684 123.256 -4.000 10.070 1.00 0.00 C ATOM 690 C LEU A 684 124.174 -2.801 10.304 1.00 0.00 C ATOM 691 O LEU A 684 123.729 -1.654 10.263 1.00 0.00 O ATOM 692 CB LEU A 684 123.211 -4.342 8.578 1.00 0.00 C ATOM 693 CG LEU A 684 123.121 -5.834 8.258 1.00 0.00 C ATOM 694 CD1 LEU A 684 122.803 -6.045 6.786 1.00 0.00 C ATOM 695 CD2 LEU A 684 124.416 -6.538 8.631 1.00 0.00 C ATOM 0 H LEU A 684 121.395 -3.034 10.027 1.00 0.00 H new ATOM 0 HA LEU A 684 123.655 -4.853 10.618 1.00 0.00 H new ATOM 0 HB2 LEU A 684 122.354 -3.838 8.131 1.00 0.00 H new ATOM 0 HB3 LEU A 684 124.103 -3.937 8.101 1.00 0.00 H new ATOM 0 HG LEU A 684 122.313 -6.265 8.849 1.00 0.00 H new ATOM 0 HD11 LEU A 684 122.743 -7.113 6.576 1.00 0.00 H new ATOM 0 HD12 LEU A 684 121.849 -5.574 6.549 1.00 0.00 H new ATOM 0 HD13 LEU A 684 123.589 -5.599 6.176 1.00 0.00 H new ATOM 0 HD21 LEU A 684 124.334 -7.599 8.396 1.00 0.00 H new ATOM 0 HD22 LEU A 684 125.242 -6.104 8.067 1.00 0.00 H new ATOM 0 HD23 LEU A 684 124.602 -6.416 9.698 1.00 0.00 H new ATOM 707 N PRO A 685 125.470 -3.053 10.553 1.00 0.00 N ATOM 708 CA PRO A 685 126.449 -1.986 10.792 1.00 0.00 C ATOM 709 C PRO A 685 126.438 -0.932 9.691 1.00 0.00 C ATOM 710 O PRO A 685 125.779 -1.101 8.665 1.00 0.00 O ATOM 711 CB PRO A 685 127.787 -2.727 10.812 1.00 0.00 C ATOM 712 CG PRO A 685 127.444 -4.123 11.200 1.00 0.00 C ATOM 713 CD PRO A 685 126.085 -4.392 10.619 1.00 0.00 C ATOM 0 HA PRO A 685 126.238 -1.438 11.711 1.00 0.00 H new ATOM 0 HB2 PRO A 685 128.271 -2.696 9.836 1.00 0.00 H new ATOM 0 HB3 PRO A 685 128.478 -2.277 11.525 1.00 0.00 H new ATOM 0 HG2 PRO A 685 128.180 -4.828 10.813 1.00 0.00 H new ATOM 0 HG3 PRO A 685 127.434 -4.235 12.284 1.00 0.00 H new ATOM 0 HD2 PRO A 685 126.153 -4.852 9.633 1.00 0.00 H new ATOM 0 HD3 PRO A 685 125.506 -5.069 11.247 1.00 0.00 H new ATOM 721 N LYS A 686 127.171 0.155 9.911 1.00 0.00 N ATOM 722 CA LYS A 686 127.244 1.235 8.935 1.00 0.00 C ATOM 723 C LYS A 686 128.329 0.959 7.899 1.00 0.00 C ATOM 724 O LYS A 686 128.105 1.108 6.698 1.00 0.00 O ATOM 725 CB LYS A 686 127.518 2.567 9.637 1.00 0.00 C ATOM 726 CG LYS A 686 126.258 3.350 9.967 1.00 0.00 C ATOM 727 CD LYS A 686 126.447 4.843 9.734 1.00 0.00 C ATOM 728 CE LYS A 686 126.368 5.627 11.035 1.00 0.00 C ATOM 729 NZ LYS A 686 125.649 6.920 10.861 1.00 0.00 N1+ ATOM 0 H LYS A 686 127.722 0.311 10.755 1.00 0.00 H new ATOM 0 HA LYS A 686 126.284 1.294 8.422 1.00 0.00 H new ATOM 0 HB2 LYS A 686 128.069 2.376 10.558 1.00 0.00 H new ATOM 0 HB3 LYS A 686 128.160 3.178 9.002 1.00 0.00 H new ATOM 0 HG2 LYS A 686 125.433 2.987 9.354 1.00 0.00 H new ATOM 0 HG3 LYS A 686 125.983 3.176 11.007 1.00 0.00 H new ATOM 0 HD2 LYS A 686 127.413 5.019 9.261 1.00 0.00 H new ATOM 0 HD3 LYS A 686 125.684 5.204 9.044 1.00 0.00 H new ATOM 0 HE2 LYS A 686 125.859 5.027 11.790 1.00 0.00 H new ATOM 0 HE3 LYS A 686 127.375 5.818 11.405 1.00 0.00 H new ATOM 0 HZ1 LYS A 686 125.348 7.278 11.790 1.00 0.00 H new ATOM 0 HZ2 LYS A 686 126.283 7.612 10.412 1.00 0.00 H new ATOM 0 HZ3 LYS A 686 124.814 6.774 10.259 1.00 0.00 H new ATOM 743 N TYR A 687 129.504 0.558 8.371 1.00 0.00 N ATOM 744 CA TYR A 687 130.625 0.261 7.486 1.00 0.00 C ATOM 745 C TYR A 687 130.258 -0.838 6.493 1.00 0.00 C ATOM 746 O TYR A 687 130.751 -0.859 5.366 1.00 0.00 O ATOM 747 CB TYR A 687 131.849 -0.158 8.301 1.00 0.00 C ATOM 748 CG TYR A 687 131.650 -1.441 9.076 1.00 0.00 C ATOM 749 CD1 TYR A 687 131.723 -2.676 8.443 1.00 0.00 C ATOM 750 CD2 TYR A 687 131.390 -1.418 10.441 1.00 0.00 C ATOM 751 CE1 TYR A 687 131.541 -3.852 9.148 1.00 0.00 C ATOM 752 CE2 TYR A 687 131.208 -2.589 11.152 1.00 0.00 C ATOM 753 CZ TYR A 687 131.284 -3.801 10.501 1.00 0.00 C ATOM 754 OH TYR A 687 131.102 -4.969 11.206 1.00 0.00 O ATOM 0 H TYR A 687 129.705 0.431 9.363 1.00 0.00 H new ATOM 0 HA TYR A 687 130.863 1.166 6.927 1.00 0.00 H new ATOM 0 HB2 TYR A 687 132.699 -0.277 7.629 1.00 0.00 H new ATOM 0 HB3 TYR A 687 132.103 0.642 8.997 1.00 0.00 H new ATOM 0 HD1 TYR A 687 131.925 -2.718 7.383 1.00 0.00 H new ATOM 0 HD2 TYR A 687 131.329 -0.470 10.954 1.00 0.00 H new ATOM 0 HE1 TYR A 687 131.600 -4.804 8.641 1.00 0.00 H new ATOM 0 HE2 TYR A 687 131.007 -2.554 12.213 1.00 0.00 H new ATOM 0 HH TYR A 687 130.931 -4.759 12.148 1.00 0.00 H new ATOM 764 N THR A 688 129.391 -1.749 6.921 1.00 0.00 N ATOM 765 CA THR A 688 128.959 -2.852 6.069 1.00 0.00 C ATOM 766 C THR A 688 128.173 -2.341 4.867 1.00 0.00 C ATOM 767 O THR A 688 128.245 -2.911 3.778 1.00 0.00 O ATOM 768 CB THR A 688 128.089 -3.855 6.849 1.00 0.00 C ATOM 769 OG1 THR A 688 128.735 -4.213 8.078 1.00 0.00 O ATOM 770 CG2 THR A 688 127.836 -5.107 6.022 1.00 0.00 C ATOM 0 H THR A 688 128.974 -1.746 7.852 1.00 0.00 H new ATOM 0 HA THR A 688 129.860 -3.357 5.722 1.00 0.00 H new ATOM 0 HB THR A 688 127.132 -3.380 7.066 1.00 0.00 H new ATOM 0 HG1 THR A 688 129.679 -3.951 8.040 1.00 0.00 H new ATOM 0 HG21 THR A 688 127.219 -5.802 6.593 1.00 0.00 H new ATOM 0 HG22 THR A 688 127.320 -4.836 5.101 1.00 0.00 H new ATOM 0 HG23 THR A 688 128.787 -5.581 5.779 1.00 0.00 H new ATOM 778 N ILE A 689 127.421 -1.265 5.072 1.00 0.00 N ATOM 779 CA ILE A 689 126.621 -0.677 4.004 1.00 0.00 C ATOM 780 C ILE A 689 127.476 0.190 3.088 1.00 0.00 C ATOM 781 O ILE A 689 127.269 0.222 1.875 1.00 0.00 O ATOM 782 CB ILE A 689 125.469 0.177 4.570 1.00 0.00 C ATOM 783 CG1 ILE A 689 124.708 -0.601 5.644 1.00 0.00 C ATOM 784 CG2 ILE A 689 124.531 0.608 3.454 1.00 0.00 C ATOM 785 CD1 ILE A 689 123.616 0.205 6.315 1.00 0.00 C ATOM 0 H ILE A 689 127.349 -0.782 5.968 1.00 0.00 H new ATOM 0 HA ILE A 689 126.204 -1.505 3.431 1.00 0.00 H new ATOM 0 HB ILE A 689 125.891 1.072 5.028 1.00 0.00 H new ATOM 0 HG12 ILE A 689 124.267 -1.490 5.193 1.00 0.00 H new ATOM 0 HG13 ILE A 689 125.413 -0.944 6.401 1.00 0.00 H new ATOM 0 HG21 ILE A 689 123.723 1.210 3.870 1.00 0.00 H new ATOM 0 HG22 ILE A 689 125.083 1.197 2.722 1.00 0.00 H new ATOM 0 HG23 ILE A 689 124.113 -0.274 2.969 1.00 0.00 H new ATOM 0 HD11 ILE A 689 123.119 -0.410 7.065 1.00 0.00 H new ATOM 0 HD12 ILE A 689 124.053 1.081 6.795 1.00 0.00 H new ATOM 0 HD13 ILE A 689 122.889 0.525 5.568 1.00 0.00 H new ATOM 797 N ILE A 690 128.440 0.893 3.676 1.00 0.00 N ATOM 798 CA ILE A 690 129.328 1.759 2.911 1.00 0.00 C ATOM 799 C ILE A 690 130.218 0.945 1.978 1.00 0.00 C ATOM 800 O ILE A 690 130.439 1.323 0.828 1.00 0.00 O ATOM 801 CB ILE A 690 130.215 2.616 3.839 1.00 0.00 C ATOM 802 CG1 ILE A 690 129.352 3.378 4.845 1.00 0.00 C ATOM 803 CG2 ILE A 690 131.062 3.582 3.023 1.00 0.00 C ATOM 804 CD1 ILE A 690 130.128 3.903 6.032 1.00 0.00 C ATOM 0 H ILE A 690 128.625 0.879 4.679 1.00 0.00 H new ATOM 0 HA ILE A 690 128.695 2.419 2.318 1.00 0.00 H new ATOM 0 HB ILE A 690 130.883 1.953 4.389 1.00 0.00 H new ATOM 0 HG12 ILE A 690 128.870 4.214 4.338 1.00 0.00 H new ATOM 0 HG13 ILE A 690 128.559 2.721 5.202 1.00 0.00 H new ATOM 0 HG21 ILE A 690 131.681 4.178 3.693 1.00 0.00 H new ATOM 0 HG22 ILE A 690 131.701 3.020 2.342 1.00 0.00 H new ATOM 0 HG23 ILE A 690 130.411 4.241 2.448 1.00 0.00 H new ATOM 0 HD11 ILE A 690 129.452 4.432 6.703 1.00 0.00 H new ATOM 0 HD12 ILE A 690 130.588 3.070 6.563 1.00 0.00 H new ATOM 0 HD13 ILE A 690 130.904 4.586 5.686 1.00 0.00 H new ATOM 816 N LYS A 691 130.724 -0.176 2.480 1.00 0.00 N ATOM 817 CA LYS A 691 131.589 -1.045 1.690 1.00 0.00 C ATOM 818 C LYS A 691 130.799 -1.730 0.579 1.00 0.00 C ATOM 819 O LYS A 691 131.323 -1.984 -0.505 1.00 0.00 O ATOM 820 CB LYS A 691 132.252 -2.094 2.587 1.00 0.00 C ATOM 821 CG LYS A 691 133.674 -1.739 2.988 1.00 0.00 C ATOM 822 CD LYS A 691 133.827 -1.657 4.499 1.00 0.00 C ATOM 823 CE LYS A 691 134.720 -0.495 4.906 1.00 0.00 C ATOM 824 NZ LYS A 691 135.165 -0.606 6.321 1.00 0.00 N1+ ATOM 0 H LYS A 691 130.550 -0.504 3.430 1.00 0.00 H new ATOM 0 HA LYS A 691 132.364 -0.429 1.233 1.00 0.00 H new ATOM 0 HB2 LYS A 691 131.651 -2.223 3.487 1.00 0.00 H new ATOM 0 HB3 LYS A 691 132.258 -3.052 2.068 1.00 0.00 H new ATOM 0 HG2 LYS A 691 134.361 -2.487 2.592 1.00 0.00 H new ATOM 0 HG3 LYS A 691 133.951 -0.784 2.542 1.00 0.00 H new ATOM 0 HD2 LYS A 691 132.846 -1.542 4.959 1.00 0.00 H new ATOM 0 HD3 LYS A 691 134.248 -2.590 4.874 1.00 0.00 H new ATOM 0 HE2 LYS A 691 135.592 -0.461 4.253 1.00 0.00 H new ATOM 0 HE3 LYS A 691 134.181 0.442 4.767 1.00 0.00 H new ATOM 0 HZ1 LYS A 691 135.195 0.341 6.751 1.00 0.00 H new ATOM 0 HZ2 LYS A 691 134.498 -1.205 6.849 1.00 0.00 H new ATOM 0 HZ3 LYS A 691 136.113 -1.032 6.354 1.00 0.00 H new ATOM 838 N PHE A 692 129.532 -2.024 0.858 1.00 0.00 N ATOM 839 CA PHE A 692 128.668 -2.678 -0.116 1.00 0.00 C ATOM 840 C PHE A 692 128.308 -1.724 -1.250 1.00 0.00 C ATOM 841 O PHE A 692 128.391 -2.080 -2.425 1.00 0.00 O ATOM 842 CB PHE A 692 127.396 -3.189 0.561 1.00 0.00 C ATOM 843 CG PHE A 692 126.506 -3.983 -0.352 1.00 0.00 C ATOM 844 CD1 PHE A 692 125.660 -3.345 -1.245 1.00 0.00 C ATOM 845 CD2 PHE A 692 126.516 -5.369 -0.318 1.00 0.00 C ATOM 846 CE1 PHE A 692 124.842 -4.073 -2.088 1.00 0.00 C ATOM 847 CE2 PHE A 692 125.700 -6.103 -1.157 1.00 0.00 C ATOM 848 CZ PHE A 692 124.862 -5.455 -2.044 1.00 0.00 C ATOM 0 H PHE A 692 129.083 -1.819 1.750 1.00 0.00 H new ATOM 0 HA PHE A 692 129.211 -3.524 -0.536 1.00 0.00 H new ATOM 0 HB2 PHE A 692 127.672 -3.808 1.414 1.00 0.00 H new ATOM 0 HB3 PHE A 692 126.836 -2.339 0.952 1.00 0.00 H new ATOM 0 HD1 PHE A 692 125.640 -2.266 -1.283 1.00 0.00 H new ATOM 0 HD2 PHE A 692 127.170 -5.881 0.373 1.00 0.00 H new ATOM 0 HE1 PHE A 692 124.188 -3.563 -2.780 1.00 0.00 H new ATOM 0 HE2 PHE A 692 125.717 -7.182 -1.120 1.00 0.00 H new ATOM 0 HZ PHE A 692 124.224 -6.027 -2.702 1.00 0.00 H new ATOM 858 N PHE A 693 127.907 -0.509 -0.888 1.00 0.00 N ATOM 859 CA PHE A 693 127.534 0.499 -1.874 1.00 0.00 C ATOM 860 C PHE A 693 128.740 0.901 -2.720 1.00 0.00 C ATOM 861 O PHE A 693 128.624 1.093 -3.930 1.00 0.00 O ATOM 862 CB PHE A 693 126.948 1.730 -1.180 1.00 0.00 C ATOM 863 CG PHE A 693 125.448 1.720 -1.111 1.00 0.00 C ATOM 864 CD1 PHE A 693 124.687 1.822 -2.265 1.00 0.00 C ATOM 865 CD2 PHE A 693 124.798 1.610 0.108 1.00 0.00 C ATOM 866 CE1 PHE A 693 123.307 1.814 -2.205 1.00 0.00 C ATOM 867 CE2 PHE A 693 123.417 1.602 0.174 1.00 0.00 C ATOM 868 CZ PHE A 693 122.671 1.703 -0.983 1.00 0.00 C ATOM 0 H PHE A 693 127.832 -0.199 0.081 1.00 0.00 H new ATOM 0 HA PHE A 693 126.778 0.069 -2.531 1.00 0.00 H new ATOM 0 HB2 PHE A 693 127.350 1.793 -0.169 1.00 0.00 H new ATOM 0 HB3 PHE A 693 127.274 2.625 -1.709 1.00 0.00 H new ATOM 0 HD1 PHE A 693 125.179 1.909 -3.223 1.00 0.00 H new ATOM 0 HD2 PHE A 693 125.377 1.530 1.016 1.00 0.00 H new ATOM 0 HE1 PHE A 693 122.726 1.894 -3.112 1.00 0.00 H new ATOM 0 HE2 PHE A 693 122.922 1.517 1.130 1.00 0.00 H new ATOM 0 HZ PHE A 693 121.592 1.695 -0.933 1.00 0.00 H new ATOM 878 N GLN A 694 129.894 1.026 -2.074 1.00 0.00 N ATOM 879 CA GLN A 694 131.120 1.403 -2.767 1.00 0.00 C ATOM 880 C GLN A 694 131.558 0.308 -3.733 1.00 0.00 C ATOM 881 O GLN A 694 132.139 0.586 -4.782 1.00 0.00 O ATOM 882 CB GLN A 694 132.235 1.685 -1.757 1.00 0.00 C ATOM 883 CG GLN A 694 133.218 2.749 -2.218 1.00 0.00 C ATOM 884 CD GLN A 694 133.140 4.016 -1.388 1.00 0.00 C ATOM 885 OE1 GLN A 694 132.458 4.973 -1.756 1.00 0.00 O ATOM 886 NE2 GLN A 694 133.840 4.030 -0.260 1.00 0.00 N ATOM 0 H GLN A 694 130.006 0.872 -1.072 1.00 0.00 H new ATOM 0 HA GLN A 694 130.920 2.309 -3.340 1.00 0.00 H new ATOM 0 HB2 GLN A 694 131.788 1.999 -0.814 1.00 0.00 H new ATOM 0 HB3 GLN A 694 132.778 0.761 -1.561 1.00 0.00 H new ATOM 0 HG2 GLN A 694 134.231 2.349 -2.168 1.00 0.00 H new ATOM 0 HG3 GLN A 694 133.022 2.991 -3.263 1.00 0.00 H new ATOM 0 HE21 GLN A 694 134.392 3.215 0.008 1.00 0.00 H new ATOM 0 HE22 GLN A 694 133.826 4.856 0.339 1.00 0.00 H new ATOM 895 N ASN A 695 131.274 -0.940 -3.371 1.00 0.00 N ATOM 896 CA ASN A 695 131.637 -2.079 -4.206 1.00 0.00 C ATOM 897 C ASN A 695 130.815 -2.097 -5.491 1.00 0.00 C ATOM 898 O ASN A 695 131.271 -2.589 -6.523 1.00 0.00 O ATOM 899 CB ASN A 695 131.432 -3.386 -3.437 1.00 0.00 C ATOM 900 CG ASN A 695 132.699 -3.859 -2.752 1.00 0.00 C ATOM 901 OD1 ASN A 695 132.860 -3.698 -1.541 1.00 0.00 O ATOM 902 ND2 ASN A 695 133.607 -4.443 -3.524 1.00 0.00 N ATOM 0 H ASN A 695 130.794 -1.187 -2.506 1.00 0.00 H new ATOM 0 HA ASN A 695 132.690 -1.982 -4.472 1.00 0.00 H new ATOM 0 HB2 ASN A 695 130.649 -3.246 -2.691 1.00 0.00 H new ATOM 0 HB3 ASN A 695 131.084 -4.158 -4.124 1.00 0.00 H new ATOM 0 HD21 ASN A 695 134.480 -4.780 -3.119 1.00 0.00 H new ATOM 0 HD22 ASN A 695 133.431 -4.555 -4.522 1.00 0.00 H new ATOM 909 N GLN A 696 129.602 -1.556 -5.421 1.00 0.00 N ATOM 910 CA GLN A 696 128.718 -1.510 -6.580 1.00 0.00 C ATOM 911 C GLN A 696 129.379 -0.775 -7.743 1.00 0.00 C ATOM 912 O GLN A 696 129.184 -1.129 -8.906 1.00 0.00 O ATOM 913 CB GLN A 696 127.398 -0.826 -6.214 1.00 0.00 C ATOM 914 CG GLN A 696 126.574 -1.602 -5.200 1.00 0.00 C ATOM 915 CD GLN A 696 126.199 -2.986 -5.691 1.00 0.00 C ATOM 916 OE1 GLN A 696 125.226 -3.155 -6.427 1.00 0.00 O ATOM 917 NE2 GLN A 696 126.970 -3.987 -5.283 1.00 0.00 N ATOM 0 H GLN A 696 129.210 -1.144 -4.574 1.00 0.00 H new ATOM 0 HA GLN A 696 128.516 -2.535 -6.891 1.00 0.00 H new ATOM 0 HB2 GLN A 696 127.610 0.166 -5.815 1.00 0.00 H new ATOM 0 HB3 GLN A 696 126.807 -0.686 -7.119 1.00 0.00 H new ATOM 0 HG2 GLN A 696 127.137 -1.690 -4.271 1.00 0.00 H new ATOM 0 HG3 GLN A 696 125.666 -1.043 -4.971 1.00 0.00 H new ATOM 0 HE21 GLN A 696 127.766 -3.802 -4.673 1.00 0.00 H new ATOM 0 HE22 GLN A 696 126.766 -4.941 -5.579 1.00 0.00 H new ATOM 926 N ARG A 697 130.162 0.250 -7.421 1.00 0.00 N ATOM 927 CA ARG A 697 130.853 1.034 -8.437 1.00 0.00 C ATOM 928 C ARG A 697 131.825 0.161 -9.225 1.00 0.00 C ATOM 929 O ARG A 697 131.982 0.327 -10.436 1.00 0.00 O ATOM 930 CB ARG A 697 131.602 2.200 -7.791 1.00 0.00 C ATOM 931 CG ARG A 697 130.711 3.383 -7.453 1.00 0.00 C ATOM 932 CD ARG A 697 130.799 4.469 -8.514 1.00 0.00 C ATOM 933 NE ARG A 697 130.026 4.131 -9.706 1.00 0.00 N ATOM 934 CZ ARG A 697 128.703 4.258 -9.794 1.00 0.00 C ATOM 935 NH1 ARG A 697 128.005 4.720 -8.764 1.00 0.00 N1+ ATOM 936 NH2 ARG A 697 128.079 3.926 -10.916 1.00 0.00 N ATOM 0 H ARG A 697 130.333 0.557 -6.463 1.00 0.00 H new ATOM 0 HA ARG A 697 130.107 1.431 -9.126 1.00 0.00 H new ATOM 0 HB2 ARG A 697 132.087 1.849 -6.880 1.00 0.00 H new ATOM 0 HB3 ARG A 697 132.392 2.532 -8.465 1.00 0.00 H new ATOM 0 HG2 ARG A 697 129.678 3.047 -7.360 1.00 0.00 H new ATOM 0 HG3 ARG A 697 131.001 3.794 -6.486 1.00 0.00 H new ATOM 0 HD2 ARG A 697 130.436 5.410 -8.101 1.00 0.00 H new ATOM 0 HD3 ARG A 697 131.842 4.623 -8.790 1.00 0.00 H new ATOM 0 HE ARG A 697 130.529 3.777 -10.519 1.00 0.00 H new ATOM 0 HH11 ARG A 697 128.482 4.980 -7.900 1.00 0.00 H new ATOM 0 HH12 ARG A 697 126.992 4.816 -8.836 1.00 0.00 H new ATOM 0 HH21 ARG A 697 128.612 3.574 -11.711 1.00 0.00 H new ATOM 0 HH22 ARG A 697 127.066 4.023 -10.984 1.00 0.00 H new ATOM 950 N TYR A 698 132.476 -0.766 -8.532 1.00 0.00 N ATOM 951 CA TYR A 698 133.434 -1.665 -9.165 1.00 0.00 C ATOM 952 C TYR A 698 132.720 -2.810 -9.879 1.00 0.00 C ATOM 953 O TYR A 698 133.254 -3.395 -10.821 1.00 0.00 O ATOM 954 CB TYR A 698 134.405 -2.224 -8.126 1.00 0.00 C ATOM 955 CG TYR A 698 135.453 -1.230 -7.678 1.00 0.00 C ATOM 956 CD1 TYR A 698 135.088 -0.006 -7.131 1.00 0.00 C ATOM 957 CD2 TYR A 698 136.808 -1.516 -7.803 1.00 0.00 C ATOM 958 CE1 TYR A 698 136.043 0.904 -6.721 1.00 0.00 C ATOM 959 CE2 TYR A 698 137.768 -0.609 -7.394 1.00 0.00 C ATOM 960 CZ TYR A 698 137.380 0.599 -6.854 1.00 0.00 C ATOM 961 OH TYR A 698 138.334 1.503 -6.446 1.00 0.00 O ATOM 0 H TYR A 698 132.358 -0.915 -7.530 1.00 0.00 H new ATOM 0 HA TYR A 698 133.994 -1.093 -9.905 1.00 0.00 H new ATOM 0 HB2 TYR A 698 133.840 -2.559 -7.257 1.00 0.00 H new ATOM 0 HB3 TYR A 698 134.902 -3.101 -8.541 1.00 0.00 H new ATOM 0 HD1 TYR A 698 134.041 0.238 -7.025 1.00 0.00 H new ATOM 0 HD2 TYR A 698 137.115 -2.461 -8.226 1.00 0.00 H new ATOM 0 HE1 TYR A 698 135.743 1.851 -6.298 1.00 0.00 H new ATOM 0 HE2 TYR A 698 138.817 -0.845 -7.497 1.00 0.00 H new ATOM 0 HH TYR A 698 139.227 1.132 -6.608 1.00 0.00 H new ATOM 971 N TYR A 699 131.510 -3.124 -9.423 1.00 0.00 N ATOM 972 CA TYR A 699 130.723 -4.200 -10.019 1.00 0.00 C ATOM 973 C TYR A 699 130.558 -3.994 -11.522 1.00 0.00 C ATOM 974 O TYR A 699 130.436 -4.954 -12.281 1.00 0.00 O ATOM 975 CB TYR A 699 129.348 -4.282 -9.351 1.00 0.00 C ATOM 976 CG TYR A 699 128.639 -5.598 -9.582 1.00 0.00 C ATOM 977 CD1 TYR A 699 128.878 -6.692 -8.761 1.00 0.00 C ATOM 978 CD2 TYR A 699 127.727 -5.744 -10.622 1.00 0.00 C ATOM 979 CE1 TYR A 699 128.232 -7.896 -8.969 1.00 0.00 C ATOM 980 CE2 TYR A 699 127.077 -6.945 -10.835 1.00 0.00 C ATOM 981 CZ TYR A 699 127.333 -8.016 -10.007 1.00 0.00 C ATOM 982 OH TYR A 699 126.686 -9.213 -10.218 1.00 0.00 O ATOM 0 H TYR A 699 131.054 -2.649 -8.644 1.00 0.00 H new ATOM 0 HA TYR A 699 131.258 -5.136 -9.858 1.00 0.00 H new ATOM 0 HB2 TYR A 699 129.465 -4.125 -8.279 1.00 0.00 H new ATOM 0 HB3 TYR A 699 128.723 -3.472 -9.725 1.00 0.00 H new ATOM 0 HD1 TYR A 699 129.581 -6.601 -7.946 1.00 0.00 H new ATOM 0 HD2 TYR A 699 127.524 -4.906 -11.273 1.00 0.00 H new ATOM 0 HE1 TYR A 699 128.430 -8.738 -8.322 1.00 0.00 H new ATOM 0 HE2 TYR A 699 126.372 -7.043 -11.647 1.00 0.00 H new ATOM 0 HH TYR A 699 126.086 -9.129 -10.988 1.00 0.00 H new ATOM 992 N LEU A 700 130.555 -2.733 -11.944 1.00 0.00 N ATOM 993 CA LEU A 700 130.407 -2.402 -13.356 1.00 0.00 C ATOM 994 C LEU A 700 131.763 -2.124 -13.995 1.00 0.00 C ATOM 995 O LEU A 700 131.870 -1.326 -14.928 1.00 0.00 O ATOM 996 CB LEU A 700 129.492 -1.186 -13.522 1.00 0.00 C ATOM 997 CG LEU A 700 128.038 -1.407 -13.103 1.00 0.00 C ATOM 998 CD1 LEU A 700 127.888 -1.252 -11.597 1.00 0.00 C ATOM 999 CD2 LEU A 700 127.121 -0.440 -13.834 1.00 0.00 C ATOM 0 H LEU A 700 130.653 -1.925 -11.329 1.00 0.00 H new ATOM 0 HA LEU A 700 129.958 -3.258 -13.860 1.00 0.00 H new ATOM 0 HB2 LEU A 700 129.901 -0.361 -12.939 1.00 0.00 H new ATOM 0 HB3 LEU A 700 129.510 -0.877 -14.567 1.00 0.00 H new ATOM 0 HG LEU A 700 127.751 -2.423 -13.374 1.00 0.00 H new ATOM 0 HD11 LEU A 700 126.847 -1.413 -11.317 1.00 0.00 H new ATOM 0 HD12 LEU A 700 128.517 -1.985 -11.091 1.00 0.00 H new ATOM 0 HD13 LEU A 700 128.192 -0.248 -11.303 1.00 0.00 H new ATOM 0 HD21 LEU A 700 126.090 -0.611 -13.524 1.00 0.00 H new ATOM 0 HD22 LEU A 700 127.407 0.584 -13.594 1.00 0.00 H new ATOM 0 HD23 LEU A 700 127.208 -0.599 -14.909 1.00 0.00 H new ATOM 1011 N LYS A 701 132.798 -2.787 -13.490 1.00 0.00 N ATOM 1012 CA LYS A 701 134.148 -2.611 -14.012 1.00 0.00 C ATOM 1013 C LYS A 701 134.899 -3.938 -14.037 1.00 0.00 C ATOM 1014 O LYS A 701 135.519 -4.293 -15.040 1.00 0.00 O ATOM 1015 CB LYS A 701 134.917 -1.594 -13.166 1.00 0.00 C ATOM 1016 CG LYS A 701 136.130 -1.008 -13.872 1.00 0.00 C ATOM 1017 CD LYS A 701 137.297 -0.816 -12.915 1.00 0.00 C ATOM 1018 CE LYS A 701 137.602 0.657 -12.696 1.00 0.00 C ATOM 1019 NZ LYS A 701 138.235 1.277 -13.893 1.00 0.00 N1+ ATOM 0 H LYS A 701 132.727 -3.451 -12.719 1.00 0.00 H new ATOM 0 HA LYS A 701 134.069 -2.238 -15.033 1.00 0.00 H new ATOM 0 HB2 LYS A 701 134.244 -0.784 -12.886 1.00 0.00 H new ATOM 0 HB3 LYS A 701 135.241 -2.073 -12.242 1.00 0.00 H new ATOM 0 HG2 LYS A 701 136.431 -1.667 -14.686 1.00 0.00 H new ATOM 0 HG3 LYS A 701 135.864 -0.050 -14.319 1.00 0.00 H new ATOM 0 HD2 LYS A 701 137.066 -1.287 -11.959 1.00 0.00 H new ATOM 0 HD3 LYS A 701 138.180 -1.316 -13.312 1.00 0.00 H new ATOM 0 HE2 LYS A 701 136.680 1.187 -12.457 1.00 0.00 H new ATOM 0 HE3 LYS A 701 138.264 0.767 -11.837 1.00 0.00 H new ATOM 0 HZ1 LYS A 701 138.427 2.281 -13.703 1.00 0.00 H new ATOM 0 HZ2 LYS A 701 139.128 0.788 -14.106 1.00 0.00 H new ATOM 0 HZ3 LYS A 701 137.593 1.195 -14.707 1.00 0.00 H new ATOM 1033 N HIS A 702 134.836 -4.668 -12.928 1.00 0.00 N ATOM 1034 CA HIS A 702 135.511 -5.957 -12.824 1.00 0.00 C ATOM 1035 C HIS A 702 134.740 -7.037 -13.575 1.00 0.00 C ATOM 1036 O HIS A 702 135.311 -7.779 -14.375 1.00 0.00 O ATOM 1037 CB HIS A 702 135.668 -6.357 -11.355 1.00 0.00 C ATOM 1038 CG HIS A 702 136.727 -5.582 -10.634 1.00 0.00 C ATOM 1039 ND1 HIS A 702 137.396 -6.070 -9.531 1.00 0.00 N ATOM 1040 CD2 HIS A 702 137.233 -4.347 -10.863 1.00 0.00 C ATOM 1041 CE1 HIS A 702 138.267 -5.168 -9.113 1.00 0.00 C ATOM 1042 NE2 HIS A 702 138.188 -4.114 -9.905 1.00 0.00 N ATOM 0 H HIS A 702 134.325 -4.390 -12.090 1.00 0.00 H new ATOM 0 HA HIS A 702 136.498 -5.859 -13.275 1.00 0.00 H new ATOM 0 HB2 HIS A 702 134.715 -6.216 -10.845 1.00 0.00 H new ATOM 0 HB3 HIS A 702 135.905 -7.419 -11.299 1.00 0.00 H new ATOM 0 HD2 HIS A 702 136.940 -3.671 -11.653 1.00 0.00 H new ATOM 0 HE1 HIS A 702 138.931 -5.275 -8.268 1.00 0.00 H new ATOM 0 HE2 HIS A 702 138.746 -3.265 -9.819 1.00 0.00 H new ATOM 1051 N HIS A 703 133.440 -7.119 -13.313 1.00 0.00 N ATOM 1052 CA HIS A 703 132.590 -8.108 -13.966 1.00 0.00 C ATOM 1053 C HIS A 703 132.190 -7.647 -15.364 1.00 0.00 C ATOM 1054 O HIS A 703 131.674 -6.543 -15.539 1.00 0.00 O ATOM 1055 CB HIS A 703 131.338 -8.368 -13.125 1.00 0.00 C ATOM 1056 CG HIS A 703 131.591 -9.224 -11.924 1.00 0.00 C ATOM 1057 ND1 HIS A 703 131.391 -10.587 -11.916 1.00 0.00 N ATOM 1058 CD2 HIS A 703 132.029 -8.902 -10.683 1.00 0.00 C ATOM 1059 CE1 HIS A 703 131.696 -11.069 -10.721 1.00 0.00 C ATOM 1060 NE2 HIS A 703 132.086 -10.066 -9.958 1.00 0.00 N ATOM 0 H HIS A 703 132.952 -6.513 -12.653 1.00 0.00 H new ATOM 0 HA HIS A 703 133.158 -9.034 -14.058 1.00 0.00 H new ATOM 0 HB2 HIS A 703 130.924 -7.414 -12.800 1.00 0.00 H new ATOM 0 HB3 HIS A 703 130.584 -8.846 -13.750 1.00 0.00 H new ATOM 0 HD2 HIS A 703 132.285 -7.914 -10.330 1.00 0.00 H new ATOM 0 HE1 HIS A 703 131.636 -12.105 -10.422 1.00 0.00 H new ATOM 0 HE2 HIS A 703 132.382 -10.143 -8.985 1.00 0.00 H new ATOM 1069 N GLY A 704 132.432 -8.499 -16.354 1.00 0.00 N ATOM 1070 CA GLY A 704 132.090 -8.161 -17.723 1.00 0.00 C ATOM 1071 C GLY A 704 130.595 -8.195 -17.970 1.00 0.00 C ATOM 1072 O GLY A 704 130.076 -7.430 -18.785 1.00 0.00 O ATOM 0 H GLY A 704 132.859 -9.417 -16.233 1.00 0.00 H new ATOM 0 HA2 GLY A 704 132.471 -7.167 -17.955 1.00 0.00 H new ATOM 0 HA3 GLY A 704 132.583 -8.858 -18.401 1.00 0.00 H new ATOM 1076 N LYS A 705 129.901 -9.082 -17.267 1.00 0.00 N ATOM 1077 CA LYS A 705 128.456 -9.214 -17.411 1.00 0.00 C ATOM 1078 C LYS A 705 127.824 -9.728 -16.123 1.00 0.00 C ATOM 1079 O LYS A 705 128.196 -10.786 -15.616 1.00 0.00 O ATOM 1080 CB LYS A 705 128.121 -10.155 -18.568 1.00 0.00 C ATOM 1081 CG LYS A 705 128.813 -11.508 -18.471 1.00 0.00 C ATOM 1082 CD LYS A 705 127.867 -12.646 -18.813 1.00 0.00 C ATOM 1083 CE LYS A 705 127.890 -12.961 -20.300 1.00 0.00 C ATOM 1084 NZ LYS A 705 126.540 -13.316 -20.815 1.00 0.00 N1+ ATOM 0 H LYS A 705 130.317 -9.722 -16.590 1.00 0.00 H new ATOM 0 HA LYS A 705 128.047 -8.227 -17.625 1.00 0.00 H new ATOM 0 HB2 LYS A 705 127.042 -10.309 -18.600 1.00 0.00 H new ATOM 0 HB3 LYS A 705 128.403 -9.678 -19.507 1.00 0.00 H new ATOM 0 HG2 LYS A 705 129.668 -11.529 -19.147 1.00 0.00 H new ATOM 0 HG3 LYS A 705 129.201 -11.647 -17.462 1.00 0.00 H new ATOM 0 HD2 LYS A 705 128.146 -13.535 -18.247 1.00 0.00 H new ATOM 0 HD3 LYS A 705 126.854 -12.381 -18.512 1.00 0.00 H new ATOM 0 HE2 LYS A 705 128.272 -12.099 -20.847 1.00 0.00 H new ATOM 0 HE3 LYS A 705 128.577 -13.786 -20.485 1.00 0.00 H new ATOM 0 HZ1 LYS A 705 126.600 -13.523 -21.832 1.00 0.00 H new ATOM 0 HZ2 LYS A 705 126.185 -14.154 -20.311 1.00 0.00 H new ATOM 0 HZ3 LYS A 705 125.889 -12.519 -20.662 1.00 0.00 H new ATOM 1098 N LEU A 706 126.864 -8.973 -15.596 1.00 0.00 N ATOM 1099 CA LEU A 706 126.180 -9.352 -14.366 1.00 0.00 C ATOM 1100 C LEU A 706 125.464 -10.689 -14.533 1.00 0.00 C ATOM 1101 O LEU A 706 124.895 -10.974 -15.587 1.00 0.00 O ATOM 1102 CB LEU A 706 125.179 -8.271 -13.959 1.00 0.00 C ATOM 1103 CG LEU A 706 123.984 -8.106 -14.899 1.00 0.00 C ATOM 1104 CD1 LEU A 706 122.769 -7.606 -14.133 1.00 0.00 C ATOM 1105 CD2 LEU A 706 124.329 -7.157 -16.037 1.00 0.00 C ATOM 0 H LEU A 706 126.543 -8.095 -16.003 1.00 0.00 H new ATOM 0 HA LEU A 706 126.929 -9.456 -13.581 1.00 0.00 H new ATOM 0 HB2 LEU A 706 124.807 -8.500 -12.960 1.00 0.00 H new ATOM 0 HB3 LEU A 706 125.704 -7.318 -13.893 1.00 0.00 H new ATOM 0 HG LEU A 706 123.743 -9.080 -15.326 1.00 0.00 H new ATOM 0 HD11 LEU A 706 121.928 -7.494 -14.817 1.00 0.00 H new ATOM 0 HD12 LEU A 706 122.510 -8.323 -13.354 1.00 0.00 H new ATOM 0 HD13 LEU A 706 122.997 -6.642 -13.678 1.00 0.00 H new ATOM 0 HD21 LEU A 706 123.467 -7.051 -16.696 1.00 0.00 H new ATOM 0 HD22 LEU A 706 124.596 -6.182 -15.629 1.00 0.00 H new ATOM 0 HD23 LEU A 706 125.171 -7.557 -16.602 1.00 0.00 H new ATOM 1117 N LYS A 707 125.496 -11.506 -13.485 1.00 0.00 N ATOM 1118 CA LYS A 707 124.851 -12.813 -13.514 1.00 0.00 C ATOM 1119 C LYS A 707 123.525 -12.784 -12.760 1.00 0.00 C ATOM 1120 O LYS A 707 123.094 -11.679 -12.368 1.00 0.00 O ATOM 1121 CB LYS A 707 125.776 -13.875 -12.911 1.00 0.00 C ATOM 1122 CG LYS A 707 126.017 -15.064 -13.829 1.00 0.00 C ATOM 1123 CD LYS A 707 125.510 -16.359 -13.214 1.00 0.00 C ATOM 1124 CE LYS A 707 126.637 -17.148 -12.567 1.00 0.00 C ATOM 1125 NZ LYS A 707 126.367 -18.611 -12.577 1.00 0.00 N1+ ATOM 1126 OXT LYS A 707 122.930 -13.865 -12.568 1.00 0.00 O ATOM 0 H LYS A 707 125.962 -11.285 -12.605 1.00 0.00 H new ATOM 0 HA LYS A 707 124.648 -13.068 -14.554 1.00 0.00 H new ATOM 0 HB2 LYS A 707 126.734 -13.415 -12.667 1.00 0.00 H new ATOM 0 HB3 LYS A 707 125.346 -14.231 -11.975 1.00 0.00 H new ATOM 0 HG2 LYS A 707 125.518 -14.894 -14.783 1.00 0.00 H new ATOM 0 HG3 LYS A 707 127.083 -15.153 -14.038 1.00 0.00 H new ATOM 0 HD2 LYS A 707 124.747 -16.135 -12.469 1.00 0.00 H new ATOM 0 HD3 LYS A 707 125.034 -16.967 -13.984 1.00 0.00 H new ATOM 0 HE2 LYS A 707 127.570 -16.947 -13.094 1.00 0.00 H new ATOM 0 HE3 LYS A 707 126.773 -16.811 -11.539 1.00 0.00 H new ATOM 0 HZ1 LYS A 707 127.159 -19.113 -12.127 1.00 0.00 H new ATOM 0 HZ2 LYS A 707 125.490 -18.806 -12.052 1.00 0.00 H new ATOM 0 HZ3 LYS A 707 126.263 -18.938 -13.559 1.00 0.00 H new TER 1140 LYS A 707