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 649 THR OG1 : rot 160:sc= 0 USER MOD Set 1.2: A 687 TYR OH : rot 180:sc= 0 USER MOD Single : A 641 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 643 GLN : amide:sc= 0.158 K(o=0.16,f=-3.8!) USER MOD Single : A 644 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 645 THR OG1 : rot 29:sc= 0.111 USER MOD Single : A 650 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 652 SER OG : rot 180:sc= 0.0448 USER MOD Single : A 660 GLN : amide:sc= -0.505 X(o=-0.5,f=-0.024) USER MOD Single : A 661 SER OG : rot 79:sc= 0.528 USER MOD Single : A 664 GLN : amide:sc= 0.151 X(o=0.15,f=0) USER MOD Single : A 669 TYR OH : rot 180:sc= 0 USER MOD Single : A 676 GLN : amide:sc= -0.988 K(o=-0.99,f=-4.5!) USER MOD Single : A 677 THR OG1 : rot 78:sc= 0.545 USER MOD Single : A 679 SER OG : rot 32:sc= 1.1 USER MOD Single : A 681 GLN : amide:sc= -0.0326 K(o=-0.033,f=-1.5) USER MOD Single : A 686 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 688 THR OG1 : rot 180:sc= -0.99 USER MOD Single : A 691 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.0681) USER MOD Single : A 694 GLN : amide:sc= -1.61! C(o=-1.6!,f=-7.1!) USER MOD Single : A 695 ASN : amide:sc= 0.637 K(o=0.64,f=-0.42) USER MOD Single : A 696 GLN : amide:sc= 0.333 K(o=0.33,f=-2.2!) USER MOD Single : A 698 TYR OH : rot 180:sc= 0 USER MOD Single : A 699 TYR OH : rot 180:sc= -0.607 USER MOD Single : A 701 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 702 HIS :FLIP no HD1:sc= -3.27 F(o=-5.1!,f=-3.3) USER MOD Single : A 703 HIS : no HD1:sc= -0.757 K(o=-0.76,f=-2.3) 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 641 139.425 -13.614 -10.207 1.00 0.00 N ATOM 2 CA ASN A 641 138.415 -13.479 -9.124 1.00 0.00 C ATOM 3 C ASN A 641 139.024 -13.797 -7.762 1.00 0.00 C ATOM 4 O ASN A 641 138.709 -13.150 -6.763 1.00 0.00 O ATOM 5 CB ASN A 641 137.254 -14.431 -9.421 1.00 0.00 C ATOM 6 CG ASN A 641 136.030 -13.704 -9.942 1.00 0.00 C ATOM 7 OD1 ASN A 641 135.196 -13.233 -9.169 1.00 0.00 O ATOM 8 ND2 ASN A 641 135.915 -13.613 -11.263 1.00 0.00 N ATOM 0 HA ASN A 641 138.058 -12.450 -9.091 1.00 0.00 H new ATOM 0 HB2 ASN A 641 137.573 -15.171 -10.155 1.00 0.00 H new ATOM 0 HB3 ASN A 641 136.992 -14.974 -8.513 1.00 0.00 H new ATOM 0 HD21 ASN A 641 135.111 -13.138 -11.673 1.00 0.00 H new ATOM 0 HD22 ASN A 641 136.631 -14.018 -11.866 1.00 0.00 H new ATOM 15 N ARG A 642 139.898 -14.798 -7.730 1.00 0.00 N ATOM 16 CA ARG A 642 140.553 -15.204 -6.491 1.00 0.00 C ATOM 17 C ARG A 642 139.534 -15.717 -5.478 1.00 0.00 C ATOM 18 O ARG A 642 138.588 -15.014 -5.125 1.00 0.00 O ATOM 19 CB ARG A 642 141.338 -14.033 -5.895 1.00 0.00 C ATOM 20 CG ARG A 642 142.343 -14.452 -4.834 1.00 0.00 C ATOM 21 CD ARG A 642 141.877 -14.072 -3.435 1.00 0.00 C ATOM 22 NE ARG A 642 142.839 -13.207 -2.755 1.00 0.00 N ATOM 23 CZ ARG A 642 143.005 -11.916 -3.040 1.00 0.00 C ATOM 24 NH1 ARG A 642 142.280 -11.339 -3.989 1.00 0.00 N1+ ATOM 25 NH2 ARG A 642 143.901 -11.201 -2.373 1.00 0.00 N ATOM 0 H ARG A 642 140.169 -15.343 -8.548 1.00 0.00 H new ATOM 0 HA ARG A 642 141.244 -16.014 -6.725 1.00 0.00 H new ATOM 0 HB2 ARG A 642 141.863 -13.513 -6.696 1.00 0.00 H new ATOM 0 HB3 ARG A 642 140.637 -13.321 -5.459 1.00 0.00 H new ATOM 0 HG2 ARG A 642 142.498 -15.530 -4.886 1.00 0.00 H new ATOM 0 HG3 ARG A 642 143.305 -13.981 -5.038 1.00 0.00 H new ATOM 0 HD2 ARG A 642 140.914 -13.564 -3.499 1.00 0.00 H new ATOM 0 HD3 ARG A 642 141.722 -14.976 -2.846 1.00 0.00 H new ATOM 0 HE ARG A 642 143.417 -13.615 -2.020 1.00 0.00 H new ATOM 0 HH11 ARG A 642 141.590 -11.884 -4.506 1.00 0.00 H new ATOM 0 HH12 ARG A 642 142.412 -10.350 -4.202 1.00 0.00 H new ATOM 0 HH21 ARG A 642 144.462 -11.639 -1.643 1.00 0.00 H new ATOM 0 HH22 ARG A 642 144.029 -10.213 -2.590 1.00 0.00 H new ATOM 39 N GLN A 643 139.735 -16.945 -5.016 1.00 0.00 N ATOM 40 CA GLN A 643 138.833 -17.554 -4.044 1.00 0.00 C ATOM 41 C GLN A 643 139.271 -17.230 -2.619 1.00 0.00 C ATOM 42 O GLN A 643 140.357 -16.695 -2.399 1.00 0.00 O ATOM 43 CB GLN A 643 138.784 -19.071 -4.241 1.00 0.00 C ATOM 44 CG GLN A 643 138.494 -19.489 -5.673 1.00 0.00 C ATOM 45 CD GLN A 643 139.719 -20.037 -6.380 1.00 0.00 C ATOM 46 OE1 GLN A 643 140.764 -19.387 -6.429 1.00 0.00 O ATOM 47 NE2 GLN A 643 139.595 -21.237 -6.933 1.00 0.00 N ATOM 0 H GLN A 643 140.514 -17.539 -5.298 1.00 0.00 H new ATOM 0 HA GLN A 643 137.837 -17.142 -4.203 1.00 0.00 H new ATOM 0 HB2 GLN A 643 139.737 -19.500 -3.932 1.00 0.00 H new ATOM 0 HB3 GLN A 643 138.019 -19.489 -3.587 1.00 0.00 H new ATOM 0 HG2 GLN A 643 137.709 -20.245 -5.675 1.00 0.00 H new ATOM 0 HG3 GLN A 643 138.112 -18.632 -6.228 1.00 0.00 H new ATOM 0 HE21 GLN A 643 138.710 -21.740 -6.868 1.00 0.00 H new ATOM 0 HE22 GLN A 643 140.385 -21.657 -7.423 1.00 0.00 H new ATOM 56 N LYS A 644 138.417 -17.558 -1.654 1.00 0.00 N ATOM 57 CA LYS A 644 138.714 -17.302 -0.250 1.00 0.00 C ATOM 58 C LYS A 644 137.990 -18.300 0.650 1.00 0.00 C ATOM 59 O LYS A 644 136.882 -18.737 0.343 1.00 0.00 O ATOM 60 CB LYS A 644 138.315 -15.874 0.126 1.00 0.00 C ATOM 61 CG LYS A 644 136.925 -15.484 -0.351 1.00 0.00 C ATOM 62 CD LYS A 644 136.918 -14.101 -0.984 1.00 0.00 C ATOM 63 CE LYS A 644 135.548 -13.450 -0.889 1.00 0.00 C ATOM 64 NZ LYS A 644 135.475 -12.467 0.226 1.00 0.00 N1+ ATOM 0 H LYS A 644 137.514 -18.002 -1.820 1.00 0.00 H new ATOM 0 HA LYS A 644 139.788 -17.421 -0.104 1.00 0.00 H new ATOM 0 HB2 LYS A 644 138.362 -15.766 1.210 1.00 0.00 H new ATOM 0 HB3 LYS A 644 139.042 -15.180 -0.295 1.00 0.00 H new ATOM 0 HG2 LYS A 644 136.569 -16.218 -1.074 1.00 0.00 H new ATOM 0 HG3 LYS A 644 136.232 -15.503 0.490 1.00 0.00 H new ATOM 0 HD2 LYS A 644 137.657 -13.470 -0.489 1.00 0.00 H new ATOM 0 HD3 LYS A 644 137.214 -14.177 -2.030 1.00 0.00 H new ATOM 0 HE2 LYS A 644 135.318 -12.949 -1.830 1.00 0.00 H new ATOM 0 HE3 LYS A 644 134.790 -14.220 -0.744 1.00 0.00 H new ATOM 0 HZ1 LYS A 644 134.524 -12.046 0.256 1.00 0.00 H new ATOM 0 HZ2 LYS A 644 135.669 -12.949 1.127 1.00 0.00 H new ATOM 0 HZ3 LYS A 644 136.181 -11.718 0.075 1.00 0.00 H new ATOM 78 N THR A 645 138.624 -18.653 1.762 1.00 0.00 N ATOM 79 CA THR A 645 138.042 -19.596 2.707 1.00 0.00 C ATOM 80 C THR A 645 137.221 -18.874 3.768 1.00 0.00 C ATOM 81 O THR A 645 137.676 -17.893 4.359 1.00 0.00 O ATOM 82 CB THR A 645 139.127 -20.441 3.401 1.00 0.00 C ATOM 83 OG1 THR A 645 140.106 -19.584 4.000 1.00 0.00 O ATOM 84 CG2 THR A 645 139.803 -21.376 2.409 1.00 0.00 C ATOM 0 H THR A 645 139.542 -18.299 2.031 1.00 0.00 H new ATOM 0 HA THR A 645 137.391 -20.256 2.133 1.00 0.00 H new ATOM 0 HB THR A 645 138.649 -21.042 4.174 1.00 0.00 H new ATOM 0 HG1 THR A 645 139.686 -18.736 4.256 1.00 0.00 H new ATOM 0 HG21 THR A 645 140.565 -21.962 2.923 1.00 0.00 H new ATOM 0 HG22 THR A 645 139.060 -22.046 1.976 1.00 0.00 H new ATOM 0 HG23 THR A 645 140.269 -20.790 1.616 1.00 0.00 H new ATOM 92 N ARG A 646 136.011 -19.366 4.007 1.00 0.00 N ATOM 93 CA ARG A 646 135.121 -18.769 4.998 1.00 0.00 C ATOM 94 C ARG A 646 134.747 -17.341 4.603 1.00 0.00 C ATOM 95 O ARG A 646 135.415 -16.384 4.995 1.00 0.00 O ATOM 96 CB ARG A 646 135.783 -18.775 6.379 1.00 0.00 C ATOM 97 CG ARG A 646 135.007 -19.564 7.420 1.00 0.00 C ATOM 98 CD ARG A 646 135.907 -20.031 8.553 1.00 0.00 C ATOM 99 NE ARG A 646 135.791 -19.178 9.733 1.00 0.00 N ATOM 100 CZ ARG A 646 136.692 -19.140 10.712 1.00 0.00 C ATOM 101 NH1 ARG A 646 137.776 -19.902 10.656 1.00 0.00 N1+ ATOM 102 NH2 ARG A 646 136.509 -18.335 11.749 1.00 0.00 N ATOM 0 H ARG A 646 135.622 -20.178 3.528 1.00 0.00 H new ATOM 0 HA ARG A 646 134.209 -19.365 5.039 1.00 0.00 H new ATOM 0 HB2 ARG A 646 136.786 -19.193 6.291 1.00 0.00 H new ATOM 0 HB3 ARG A 646 135.896 -17.747 6.724 1.00 0.00 H new ATOM 0 HG2 ARG A 646 134.205 -18.946 7.823 1.00 0.00 H new ATOM 0 HG3 ARG A 646 134.538 -20.427 6.948 1.00 0.00 H new ATOM 0 HD2 ARG A 646 135.650 -21.056 8.820 1.00 0.00 H new ATOM 0 HD3 ARG A 646 136.943 -20.040 8.213 1.00 0.00 H new ATOM 0 HE ARG A 646 134.971 -18.576 9.811 1.00 0.00 H new ATOM 0 HH11 ARG A 646 137.923 -20.522 9.859 1.00 0.00 H new ATOM 0 HH12 ARG A 646 138.463 -19.868 11.409 1.00 0.00 H new ATOM 0 HH21 ARG A 646 135.678 -17.745 11.796 1.00 0.00 H new ATOM 0 HH22 ARG A 646 137.199 -18.305 12.500 1.00 0.00 H new ATOM 116 N PRO A 647 133.670 -17.179 3.815 1.00 0.00 N ATOM 117 CA PRO A 647 133.209 -15.860 3.368 1.00 0.00 C ATOM 118 C PRO A 647 133.052 -14.878 4.525 1.00 0.00 C ATOM 119 O PRO A 647 132.047 -14.897 5.236 1.00 0.00 O ATOM 120 CB PRO A 647 131.852 -16.156 2.728 1.00 0.00 C ATOM 121 CG PRO A 647 131.941 -17.576 2.291 1.00 0.00 C ATOM 122 CD PRO A 647 132.816 -18.266 3.301 1.00 0.00 C ATOM 0 HA PRO A 647 133.920 -15.388 2.690 1.00 0.00 H new ATOM 0 HB2 PRO A 647 131.039 -16.011 3.439 1.00 0.00 H new ATOM 0 HB3 PRO A 647 131.659 -15.493 1.884 1.00 0.00 H new ATOM 0 HG2 PRO A 647 130.953 -18.035 2.252 1.00 0.00 H new ATOM 0 HG3 PRO A 647 132.367 -17.650 1.290 1.00 0.00 H new ATOM 0 HD2 PRO A 647 132.227 -18.724 4.096 1.00 0.00 H new ATOM 0 HD3 PRO A 647 133.407 -19.060 2.844 1.00 0.00 H new ATOM 130 N ARG A 648 134.050 -14.021 4.706 1.00 0.00 N ATOM 131 CA ARG A 648 134.022 -13.031 5.776 1.00 0.00 C ATOM 132 C ARG A 648 133.009 -11.931 5.473 1.00 0.00 C ATOM 133 O ARG A 648 132.882 -11.487 4.332 1.00 0.00 O ATOM 134 CB ARG A 648 135.413 -12.422 5.973 1.00 0.00 C ATOM 135 CG ARG A 648 136.168 -13.002 7.158 1.00 0.00 C ATOM 136 CD ARG A 648 137.670 -12.980 6.927 1.00 0.00 C ATOM 137 NE ARG A 648 138.174 -11.623 6.723 1.00 0.00 N ATOM 138 CZ ARG A 648 138.386 -10.756 7.710 1.00 0.00 C ATOM 139 NH1 ARG A 648 138.138 -11.098 8.969 1.00 0.00 N1+ ATOM 140 NH2 ARG A 648 138.848 -9.543 7.438 1.00 0.00 N ATOM 0 H ARG A 648 134.888 -13.992 4.126 1.00 0.00 H new ATOM 0 HA ARG A 648 133.720 -13.534 6.695 1.00 0.00 H new ATOM 0 HB2 ARG A 648 136.000 -12.577 5.068 1.00 0.00 H new ATOM 0 HB3 ARG A 648 135.313 -11.345 6.108 1.00 0.00 H new ATOM 0 HG2 ARG A 648 135.929 -12.433 8.057 1.00 0.00 H new ATOM 0 HG3 ARG A 648 135.841 -14.027 7.333 1.00 0.00 H new ATOM 0 HD2 ARG A 648 138.175 -13.429 7.782 1.00 0.00 H new ATOM 0 HD3 ARG A 648 137.912 -13.591 6.057 1.00 0.00 H new ATOM 0 HE ARG A 648 138.375 -11.323 5.769 1.00 0.00 H new ATOM 0 HH11 ARG A 648 137.783 -12.030 9.184 1.00 0.00 H new ATOM 0 HH12 ARG A 648 138.303 -10.429 9.721 1.00 0.00 H new ATOM 0 HH21 ARG A 648 139.041 -9.275 6.473 1.00 0.00 H new ATOM 0 HH22 ARG A 648 139.011 -8.878 8.194 1.00 0.00 H new ATOM 154 N THR A 649 132.289 -11.496 6.502 1.00 0.00 N ATOM 155 CA THR A 649 131.287 -10.450 6.346 1.00 0.00 C ATOM 156 C THR A 649 130.193 -10.877 5.375 1.00 0.00 C ATOM 157 O THR A 649 130.214 -10.510 4.201 1.00 0.00 O ATOM 158 CB THR A 649 131.919 -9.138 5.846 1.00 0.00 C ATOM 159 OG1 THR A 649 133.081 -8.824 6.623 1.00 0.00 O ATOM 160 CG2 THR A 649 130.923 -7.991 5.932 1.00 0.00 C ATOM 0 H THR A 649 132.382 -11.853 7.453 1.00 0.00 H new ATOM 0 HA THR A 649 130.849 -10.282 7.330 1.00 0.00 H new ATOM 0 HB THR A 649 132.206 -9.275 4.803 1.00 0.00 H new ATOM 0 HG1 THR A 649 133.648 -8.199 6.125 1.00 0.00 H new ATOM 0 HG21 THR A 649 131.392 -7.075 5.574 1.00 0.00 H new ATOM 0 HG22 THR A 649 130.053 -8.218 5.317 1.00 0.00 H new ATOM 0 HG23 THR A 649 130.610 -7.858 6.968 1.00 0.00 H new ATOM 168 N LYS A 650 129.240 -11.658 5.872 1.00 0.00 N ATOM 169 CA LYS A 650 128.135 -12.137 5.047 1.00 0.00 C ATOM 170 C LYS A 650 126.837 -11.425 5.410 1.00 0.00 C ATOM 171 O LYS A 650 126.481 -11.320 6.585 1.00 0.00 O ATOM 172 CB LYS A 650 127.967 -13.647 5.213 1.00 0.00 C ATOM 173 CG LYS A 650 126.927 -14.250 4.280 1.00 0.00 C ATOM 174 CD LYS A 650 127.235 -15.704 3.968 1.00 0.00 C ATOM 175 CE LYS A 650 126.034 -16.410 3.360 1.00 0.00 C ATOM 176 NZ LYS A 650 126.120 -16.476 1.875 1.00 0.00 N1+ ATOM 0 H LYS A 650 129.210 -11.973 6.842 1.00 0.00 H new ATOM 0 HA LYS A 650 128.369 -11.917 4.005 1.00 0.00 H new ATOM 0 HB2 LYS A 650 128.927 -14.133 5.036 1.00 0.00 H new ATOM 0 HB3 LYS A 650 127.686 -13.862 6.244 1.00 0.00 H new ATOM 0 HG2 LYS A 650 125.940 -14.176 4.737 1.00 0.00 H new ATOM 0 HG3 LYS A 650 126.893 -13.677 3.353 1.00 0.00 H new ATOM 0 HD2 LYS A 650 128.078 -15.759 3.279 1.00 0.00 H new ATOM 0 HD3 LYS A 650 127.536 -16.217 4.881 1.00 0.00 H new ATOM 0 HE2 LYS A 650 125.964 -17.420 3.765 1.00 0.00 H new ATOM 0 HE3 LYS A 650 125.122 -15.887 3.648 1.00 0.00 H new ATOM 0 HZ1 LYS A 650 125.282 -16.965 1.500 1.00 0.00 H new ATOM 0 HZ2 LYS A 650 126.161 -15.512 1.486 1.00 0.00 H new ATOM 0 HZ3 LYS A 650 126.977 -16.997 1.600 1.00 0.00 H new ATOM 190 N ILE A 651 126.130 -10.939 4.395 1.00 0.00 N ATOM 191 CA ILE A 651 124.870 -10.238 4.607 1.00 0.00 C ATOM 192 C ILE A 651 123.680 -11.142 4.306 1.00 0.00 C ATOM 193 O ILE A 651 123.740 -11.988 3.414 1.00 0.00 O ATOM 194 CB ILE A 651 124.774 -8.975 3.728 1.00 0.00 C ATOM 195 CG1 ILE A 651 126.052 -8.144 3.851 1.00 0.00 C ATOM 196 CG2 ILE A 651 123.559 -8.149 4.119 1.00 0.00 C ATOM 197 CD1 ILE A 651 126.182 -7.076 2.789 1.00 0.00 C ATOM 0 H ILE A 651 126.409 -11.018 3.417 1.00 0.00 H new ATOM 0 HA ILE A 651 124.845 -9.945 5.657 1.00 0.00 H new ATOM 0 HB ILE A 651 124.661 -9.281 2.688 1.00 0.00 H new ATOM 0 HG12 ILE A 651 126.076 -7.673 4.834 1.00 0.00 H new ATOM 0 HG13 ILE A 651 126.914 -8.808 3.795 1.00 0.00 H new ATOM 0 HG21 ILE A 651 123.505 -7.261 3.490 1.00 0.00 H new ATOM 0 HG22 ILE A 651 122.656 -8.744 3.985 1.00 0.00 H new ATOM 0 HG23 ILE A 651 123.644 -7.849 5.163 1.00 0.00 H new ATOM 0 HD11 ILE A 651 127.111 -6.526 2.938 1.00 0.00 H new ATOM 0 HD12 ILE A 651 126.190 -7.542 1.804 1.00 0.00 H new ATOM 0 HD13 ILE A 651 125.339 -6.389 2.859 1.00 0.00 H new ATOM 209 N SER A 652 122.598 -10.961 5.057 1.00 0.00 N ATOM 210 CA SER A 652 121.395 -11.760 4.870 1.00 0.00 C ATOM 211 C SER A 652 120.836 -11.581 3.462 1.00 0.00 C ATOM 212 O SER A 652 120.995 -10.525 2.850 1.00 0.00 O ATOM 213 CB SER A 652 120.336 -11.376 5.905 1.00 0.00 C ATOM 214 OG SER A 652 120.413 -9.999 6.228 1.00 0.00 O ATOM 0 H SER A 652 122.531 -10.267 5.801 1.00 0.00 H new ATOM 0 HA SER A 652 121.661 -12.808 5.005 1.00 0.00 H new ATOM 0 HB2 SER A 652 119.344 -11.607 5.517 1.00 0.00 H new ATOM 0 HB3 SER A 652 120.472 -11.972 6.807 1.00 0.00 H new ATOM 0 HG SER A 652 119.725 -9.779 6.890 1.00 0.00 H new ATOM 220 N VAL A 653 120.180 -12.620 2.955 1.00 0.00 N ATOM 221 CA VAL A 653 119.598 -12.577 1.619 1.00 0.00 C ATOM 222 C VAL A 653 118.498 -11.522 1.534 1.00 0.00 C ATOM 223 O VAL A 653 118.313 -10.887 0.495 1.00 0.00 O ATOM 224 CB VAL A 653 119.014 -13.945 1.213 1.00 0.00 C ATOM 225 CG1 VAL A 653 118.554 -13.924 -0.235 1.00 0.00 C ATOM 226 CG2 VAL A 653 120.036 -15.049 1.438 1.00 0.00 C ATOM 0 H VAL A 653 120.038 -13.501 3.449 1.00 0.00 H new ATOM 0 HA VAL A 653 120.403 -12.317 0.932 1.00 0.00 H new ATOM 0 HB VAL A 653 118.147 -14.148 1.841 1.00 0.00 H new ATOM 0 HG11 VAL A 653 118.145 -14.899 -0.501 1.00 0.00 H new ATOM 0 HG12 VAL A 653 117.785 -13.162 -0.362 1.00 0.00 H new ATOM 0 HG13 VAL A 653 119.401 -13.697 -0.883 1.00 0.00 H new ATOM 0 HG21 VAL A 653 119.607 -16.007 1.146 1.00 0.00 H new ATOM 0 HG22 VAL A 653 120.924 -14.851 0.837 1.00 0.00 H new ATOM 0 HG23 VAL A 653 120.311 -15.081 2.492 1.00 0.00 H new ATOM 236 N GLU A 654 117.772 -11.341 2.631 1.00 0.00 N ATOM 237 CA GLU A 654 116.691 -10.364 2.680 1.00 0.00 C ATOM 238 C GLU A 654 117.221 -8.953 2.452 1.00 0.00 C ATOM 239 O GLU A 654 116.571 -8.131 1.806 1.00 0.00 O ATOM 240 CB GLU A 654 115.968 -10.440 4.027 1.00 0.00 C ATOM 241 CG GLU A 654 114.772 -9.508 4.128 1.00 0.00 C ATOM 242 CD GLU A 654 113.493 -10.142 3.618 1.00 0.00 C ATOM 243 OE1 GLU A 654 113.012 -11.103 4.256 1.00 0.00 O1- ATOM 244 OE2 GLU A 654 112.974 -9.680 2.581 1.00 0.00 O ATOM 0 H GLU A 654 117.912 -11.858 3.499 1.00 0.00 H new ATOM 0 HA GLU A 654 115.986 -10.599 1.883 1.00 0.00 H new ATOM 0 HB2 GLU A 654 115.635 -11.464 4.194 1.00 0.00 H new ATOM 0 HB3 GLU A 654 116.673 -10.200 4.823 1.00 0.00 H new ATOM 0 HG2 GLU A 654 114.636 -9.210 5.167 1.00 0.00 H new ATOM 0 HG3 GLU A 654 114.975 -8.600 3.560 1.00 0.00 H new ATOM 251 N ALA A 655 118.406 -8.678 2.988 1.00 0.00 N ATOM 252 CA ALA A 655 119.025 -7.366 2.844 1.00 0.00 C ATOM 253 C ALA A 655 119.415 -7.098 1.394 1.00 0.00 C ATOM 254 O ALA A 655 119.233 -5.993 0.885 1.00 0.00 O ATOM 255 CB ALA A 655 120.243 -7.255 3.749 1.00 0.00 C ATOM 0 H ALA A 655 118.957 -9.347 3.526 1.00 0.00 H new ATOM 0 HA ALA A 655 118.295 -6.613 3.141 1.00 0.00 H new ATOM 0 HB1 ALA A 655 120.695 -6.270 3.631 1.00 0.00 H new ATOM 0 HB2 ALA A 655 119.939 -7.393 4.787 1.00 0.00 H new ATOM 0 HB3 ALA A 655 120.968 -8.022 3.478 1.00 0.00 H new ATOM 261 N LEU A 656 119.953 -8.120 0.733 1.00 0.00 N ATOM 262 CA LEU A 656 120.370 -7.994 -0.658 1.00 0.00 C ATOM 263 C LEU A 656 119.191 -7.614 -1.549 1.00 0.00 C ATOM 264 O LEU A 656 119.359 -6.937 -2.563 1.00 0.00 O ATOM 265 CB LEU A 656 120.990 -9.306 -1.147 1.00 0.00 C ATOM 266 CG LEU A 656 121.773 -9.204 -2.456 1.00 0.00 C ATOM 267 CD1 LEU A 656 123.109 -8.518 -2.227 1.00 0.00 C ATOM 268 CD2 LEU A 656 121.975 -10.584 -3.063 1.00 0.00 C ATOM 0 H LEU A 656 120.110 -9.043 1.139 1.00 0.00 H new ATOM 0 HA LEU A 656 121.116 -7.202 -0.716 1.00 0.00 H new ATOM 0 HB2 LEU A 656 121.656 -9.687 -0.372 1.00 0.00 H new ATOM 0 HB3 LEU A 656 120.195 -10.041 -1.273 1.00 0.00 H new ATOM 0 HG LEU A 656 121.196 -8.601 -3.157 1.00 0.00 H new ATOM 0 HD11 LEU A 656 123.652 -8.455 -3.170 1.00 0.00 H new ATOM 0 HD12 LEU A 656 122.940 -7.514 -1.837 1.00 0.00 H new ATOM 0 HD13 LEU A 656 123.695 -9.092 -1.509 1.00 0.00 H new ATOM 0 HD21 LEU A 656 122.534 -10.494 -3.994 1.00 0.00 H new ATOM 0 HD22 LEU A 656 122.531 -11.210 -2.365 1.00 0.00 H new ATOM 0 HD23 LEU A 656 121.005 -11.038 -3.265 1.00 0.00 H new ATOM 280 N GLY A 657 117.998 -8.054 -1.163 1.00 0.00 N ATOM 281 CA GLY A 657 116.809 -7.751 -1.937 1.00 0.00 C ATOM 282 C GLY A 657 116.443 -6.280 -1.886 1.00 0.00 C ATOM 283 O GLY A 657 116.243 -5.647 -2.923 1.00 0.00 O ATOM 0 H GLY A 657 117.834 -8.615 -0.327 1.00 0.00 H new ATOM 0 HA2 GLY A 657 116.969 -8.047 -2.974 1.00 0.00 H new ATOM 0 HA3 GLY A 657 115.974 -8.343 -1.562 1.00 0.00 H new ATOM 287 N ILE A 658 116.356 -5.735 -0.677 1.00 0.00 N ATOM 288 CA ILE A 658 116.011 -4.330 -0.495 1.00 0.00 C ATOM 289 C ILE A 658 117.134 -3.420 -0.980 1.00 0.00 C ATOM 290 O ILE A 658 116.888 -2.305 -1.439 1.00 0.00 O ATOM 291 CB ILE A 658 115.709 -4.012 0.984 1.00 0.00 C ATOM 292 CG1 ILE A 658 114.694 -5.009 1.549 1.00 0.00 C ATOM 293 CG2 ILE A 658 115.193 -2.587 1.126 1.00 0.00 C ATOM 294 CD1 ILE A 658 115.021 -5.475 2.951 1.00 0.00 C ATOM 0 H ILE A 658 116.520 -6.245 0.191 1.00 0.00 H new ATOM 0 HA ILE A 658 115.116 -4.145 -1.089 1.00 0.00 H new ATOM 0 HB ILE A 658 116.634 -4.102 1.553 1.00 0.00 H new ATOM 0 HG12 ILE A 658 113.706 -4.549 1.549 1.00 0.00 H new ATOM 0 HG13 ILE A 658 114.642 -5.875 0.890 1.00 0.00 H new ATOM 0 HG21 ILE A 658 114.985 -2.378 2.175 1.00 0.00 H new ATOM 0 HG22 ILE A 658 115.946 -1.889 0.760 1.00 0.00 H new ATOM 0 HG23 ILE A 658 114.278 -2.472 0.545 1.00 0.00 H new ATOM 0 HD11 ILE A 658 114.260 -6.179 3.287 1.00 0.00 H new ATOM 0 HD12 ILE A 658 115.995 -5.965 2.954 1.00 0.00 H new ATOM 0 HD13 ILE A 658 115.044 -4.617 3.623 1.00 0.00 H new ATOM 306 N LEU A 659 118.368 -3.902 -0.873 1.00 0.00 N ATOM 307 CA LEU A 659 119.529 -3.132 -1.301 1.00 0.00 C ATOM 308 C LEU A 659 119.558 -2.988 -2.820 1.00 0.00 C ATOM 309 O LEU A 659 119.755 -1.892 -3.346 1.00 0.00 O ATOM 310 CB LEU A 659 120.817 -3.799 -0.810 1.00 0.00 C ATOM 311 CG LEU A 659 121.544 -3.056 0.312 1.00 0.00 C ATOM 312 CD1 LEU A 659 120.594 -2.763 1.464 1.00 0.00 C ATOM 313 CD2 LEU A 659 122.740 -3.864 0.798 1.00 0.00 C ATOM 0 H LEU A 659 118.589 -4.823 -0.493 1.00 0.00 H new ATOM 0 HA LEU A 659 119.456 -2.136 -0.864 1.00 0.00 H new ATOM 0 HB2 LEU A 659 120.578 -4.805 -0.464 1.00 0.00 H new ATOM 0 HB3 LEU A 659 121.498 -3.906 -1.655 1.00 0.00 H new ATOM 0 HG LEU A 659 121.906 -2.107 -0.083 1.00 0.00 H new ATOM 0 HD11 LEU A 659 121.130 -2.234 2.252 1.00 0.00 H new ATOM 0 HD12 LEU A 659 119.770 -2.145 1.108 1.00 0.00 H new ATOM 0 HD13 LEU A 659 120.201 -3.700 1.858 1.00 0.00 H new ATOM 0 HD21 LEU A 659 123.246 -3.321 1.596 1.00 0.00 H new ATOM 0 HD22 LEU A 659 122.399 -4.828 1.175 1.00 0.00 H new ATOM 0 HD23 LEU A 659 123.433 -4.022 -0.029 1.00 0.00 H new ATOM 325 N GLN A 660 119.361 -4.102 -3.519 1.00 0.00 N ATOM 326 CA GLN A 660 119.365 -4.099 -4.977 1.00 0.00 C ATOM 327 C GLN A 660 118.267 -3.190 -5.523 1.00 0.00 C ATOM 328 O GLN A 660 118.418 -2.589 -6.587 1.00 0.00 O ATOM 329 CB GLN A 660 119.178 -5.519 -5.511 1.00 0.00 C ATOM 330 CG GLN A 660 120.467 -6.325 -5.561 1.00 0.00 C ATOM 331 CD GLN A 660 121.336 -5.960 -6.748 1.00 0.00 C ATOM 332 OE1 GLN A 660 121.281 -6.607 -7.794 1.00 0.00 O ATOM 333 NE2 GLN A 660 122.147 -4.920 -6.590 1.00 0.00 N ATOM 0 H GLN A 660 119.197 -5.017 -3.099 1.00 0.00 H new ATOM 0 HA GLN A 660 120.329 -3.716 -5.311 1.00 0.00 H new ATOM 0 HB2 GLN A 660 118.456 -6.042 -4.884 1.00 0.00 H new ATOM 0 HB3 GLN A 660 118.752 -5.468 -6.513 1.00 0.00 H new ATOM 0 HG2 GLN A 660 121.028 -6.163 -4.641 1.00 0.00 H new ATOM 0 HG3 GLN A 660 120.226 -7.387 -5.605 1.00 0.00 H new ATOM 0 HE21 GLN A 660 122.159 -4.413 -5.705 1.00 0.00 H new ATOM 0 HE22 GLN A 660 122.757 -4.629 -7.354 1.00 0.00 H new ATOM 342 N SER A 661 117.166 -3.094 -4.788 1.00 0.00 N ATOM 343 CA SER A 661 116.042 -2.259 -5.200 1.00 0.00 C ATOM 344 C SER A 661 116.338 -0.784 -4.947 1.00 0.00 C ATOM 345 O SER A 661 115.970 0.077 -5.746 1.00 0.00 O ATOM 346 CB SER A 661 114.772 -2.672 -4.452 1.00 0.00 C ATOM 347 OG SER A 661 114.465 -4.036 -4.685 1.00 0.00 O ATOM 0 H SER A 661 117.026 -3.583 -3.904 1.00 0.00 H new ATOM 0 HA SER A 661 115.889 -2.402 -6.270 1.00 0.00 H new ATOM 0 HB2 SER A 661 114.904 -2.503 -3.383 1.00 0.00 H new ATOM 0 HB3 SER A 661 113.938 -2.048 -4.773 1.00 0.00 H new ATOM 0 HG SER A 661 115.034 -4.600 -4.121 1.00 0.00 H new ATOM 353 N PHE A 662 117.003 -0.500 -3.832 1.00 0.00 N ATOM 354 CA PHE A 662 117.346 0.872 -3.476 1.00 0.00 C ATOM 355 C PHE A 662 118.251 1.501 -4.531 1.00 0.00 C ATOM 356 O PHE A 662 118.181 2.703 -4.786 1.00 0.00 O ATOM 357 CB PHE A 662 118.034 0.910 -2.110 1.00 0.00 C ATOM 358 CG PHE A 662 118.260 2.301 -1.590 1.00 0.00 C ATOM 359 CD1 PHE A 662 119.254 3.102 -2.128 1.00 0.00 C ATOM 360 CD2 PHE A 662 117.479 2.805 -0.563 1.00 0.00 C ATOM 361 CE1 PHE A 662 119.464 4.382 -1.652 1.00 0.00 C ATOM 362 CE2 PHE A 662 117.686 4.085 -0.082 1.00 0.00 C ATOM 363 CZ PHE A 662 118.680 4.873 -0.628 1.00 0.00 C ATOM 0 H PHE A 662 117.315 -1.201 -3.160 1.00 0.00 H new ATOM 0 HA PHE A 662 116.422 1.448 -3.427 1.00 0.00 H new ATOM 0 HB2 PHE A 662 117.429 0.356 -1.392 1.00 0.00 H new ATOM 0 HB3 PHE A 662 118.993 0.397 -2.181 1.00 0.00 H new ATOM 0 HD1 PHE A 662 119.872 2.722 -2.928 1.00 0.00 H new ATOM 0 HD2 PHE A 662 116.700 2.192 -0.133 1.00 0.00 H new ATOM 0 HE1 PHE A 662 120.241 4.998 -2.081 1.00 0.00 H new ATOM 0 HE2 PHE A 662 117.071 4.468 0.719 1.00 0.00 H new ATOM 0 HZ PHE A 662 118.844 5.873 -0.254 1.00 0.00 H new ATOM 373 N ILE A 663 119.100 0.680 -5.140 1.00 0.00 N ATOM 374 CA ILE A 663 120.020 1.157 -6.167 1.00 0.00 C ATOM 375 C ILE A 663 119.320 1.290 -7.514 1.00 0.00 C ATOM 376 O ILE A 663 119.652 2.164 -8.314 1.00 0.00 O ATOM 377 CB ILE A 663 121.230 0.215 -6.319 1.00 0.00 C ATOM 378 CG1 ILE A 663 121.870 -0.062 -4.956 1.00 0.00 C ATOM 379 CG2 ILE A 663 122.252 0.813 -7.276 1.00 0.00 C ATOM 380 CD1 ILE A 663 122.322 -1.495 -4.780 1.00 0.00 C ATOM 0 H ILE A 663 119.170 -0.318 -4.941 1.00 0.00 H new ATOM 0 HA ILE A 663 120.371 2.138 -5.846 1.00 0.00 H new ATOM 0 HB ILE A 663 120.881 -0.731 -6.733 1.00 0.00 H new ATOM 0 HG12 ILE A 663 122.727 0.599 -4.825 1.00 0.00 H new ATOM 0 HG13 ILE A 663 121.155 0.184 -4.171 1.00 0.00 H new ATOM 0 HG21 ILE A 663 123.100 0.135 -7.372 1.00 0.00 H new ATOM 0 HG22 ILE A 663 121.793 0.960 -8.253 1.00 0.00 H new ATOM 0 HG23 ILE A 663 122.596 1.772 -6.888 1.00 0.00 H new ATOM 0 HD11 ILE A 663 122.765 -1.618 -3.792 1.00 0.00 H new ATOM 0 HD12 ILE A 663 121.465 -2.162 -4.879 1.00 0.00 H new ATOM 0 HD13 ILE A 663 123.062 -1.739 -5.542 1.00 0.00 H new ATOM 392 N GLN A 664 118.351 0.415 -7.759 1.00 0.00 N ATOM 393 CA GLN A 664 117.603 0.433 -9.012 1.00 0.00 C ATOM 394 C GLN A 664 116.477 1.462 -8.968 1.00 0.00 C ATOM 395 O GLN A 664 116.003 1.921 -10.007 1.00 0.00 O ATOM 396 CB GLN A 664 117.030 -0.955 -9.307 1.00 0.00 C ATOM 397 CG GLN A 664 117.996 -1.865 -10.048 1.00 0.00 C ATOM 398 CD GLN A 664 117.591 -3.325 -9.977 1.00 0.00 C ATOM 399 OE1 GLN A 664 116.751 -3.787 -10.749 1.00 0.00 O ATOM 400 NE2 GLN A 664 118.189 -4.061 -9.047 1.00 0.00 N ATOM 0 H GLN A 664 118.065 -0.316 -7.107 1.00 0.00 H new ATOM 0 HA GLN A 664 118.291 0.714 -9.809 1.00 0.00 H new ATOM 0 HB2 GLN A 664 116.745 -1.429 -8.368 1.00 0.00 H new ATOM 0 HB3 GLN A 664 116.120 -0.846 -9.898 1.00 0.00 H new ATOM 0 HG2 GLN A 664 118.051 -1.557 -11.092 1.00 0.00 H new ATOM 0 HG3 GLN A 664 118.995 -1.748 -9.628 1.00 0.00 H new ATOM 0 HE21 GLN A 664 118.880 -3.637 -8.428 1.00 0.00 H new ATOM 0 HE22 GLN A 664 117.957 -5.050 -8.952 1.00 0.00 H new ATOM 409 N ASP A 665 116.047 1.818 -7.759 1.00 0.00 N ATOM 410 CA ASP A 665 114.973 2.790 -7.589 1.00 0.00 C ATOM 411 C ASP A 665 115.531 4.187 -7.332 1.00 0.00 C ATOM 412 O ASP A 665 115.032 5.172 -7.873 1.00 0.00 O ATOM 413 CB ASP A 665 114.059 2.373 -6.433 1.00 0.00 C ATOM 414 CG ASP A 665 112.599 2.652 -6.722 1.00 0.00 C ATOM 415 OD1 ASP A 665 112.165 2.416 -7.869 1.00 0.00 O1- ATOM 416 OD2 ASP A 665 111.887 3.107 -5.800 1.00 0.00 O ATOM 0 H ASP A 665 116.425 1.449 -6.887 1.00 0.00 H new ATOM 0 HA ASP A 665 114.395 2.817 -8.512 1.00 0.00 H new ATOM 0 HB2 ASP A 665 114.191 1.309 -6.235 1.00 0.00 H new ATOM 0 HB3 ASP A 665 114.356 2.905 -5.529 1.00 0.00 H new ATOM 421 N VAL A 666 116.565 4.266 -6.500 1.00 0.00 N ATOM 422 CA VAL A 666 117.184 5.546 -6.173 1.00 0.00 C ATOM 423 C VAL A 666 118.413 5.804 -7.040 1.00 0.00 C ATOM 424 O VAL A 666 118.396 6.674 -7.911 1.00 0.00 O ATOM 425 CB VAL A 666 117.590 5.611 -4.687 1.00 0.00 C ATOM 426 CG1 VAL A 666 118.082 7.005 -4.327 1.00 0.00 C ATOM 427 CG2 VAL A 666 116.426 5.203 -3.796 1.00 0.00 C ATOM 0 H VAL A 666 116.991 3.461 -6.041 1.00 0.00 H new ATOM 0 HA VAL A 666 116.439 6.316 -6.371 1.00 0.00 H new ATOM 0 HB VAL A 666 118.407 4.909 -4.523 1.00 0.00 H new ATOM 0 HG11 VAL A 666 118.364 7.031 -3.274 1.00 0.00 H new ATOM 0 HG12 VAL A 666 118.947 7.255 -4.941 1.00 0.00 H new ATOM 0 HG13 VAL A 666 117.288 7.729 -4.508 1.00 0.00 H new ATOM 0 HG21 VAL A 666 116.732 5.255 -2.751 1.00 0.00 H new ATOM 0 HG22 VAL A 666 115.586 5.878 -3.962 1.00 0.00 H new ATOM 0 HG23 VAL A 666 116.125 4.183 -4.035 1.00 0.00 H new ATOM 437 N GLY A 667 119.478 5.047 -6.796 1.00 0.00 N ATOM 438 CA GLY A 667 120.697 5.214 -7.564 1.00 0.00 C ATOM 439 C GLY A 667 121.915 4.664 -6.848 1.00 0.00 C ATOM 440 O GLY A 667 121.790 3.859 -5.925 1.00 0.00 O ATOM 0 H GLY A 667 119.518 4.321 -6.080 1.00 0.00 H new ATOM 0 HA2 GLY A 667 120.588 4.713 -8.526 1.00 0.00 H new ATOM 0 HA3 GLY A 667 120.849 6.273 -7.772 1.00 0.00 H new ATOM 444 N LEU A 668 123.097 5.099 -7.277 1.00 0.00 N ATOM 445 CA LEU A 668 124.344 4.644 -6.671 1.00 0.00 C ATOM 446 C LEU A 668 124.979 5.750 -5.831 1.00 0.00 C ATOM 447 O LEU A 668 126.201 5.819 -5.700 1.00 0.00 O ATOM 448 CB LEU A 668 125.319 4.180 -7.757 1.00 0.00 C ATOM 449 CG LEU A 668 125.623 2.681 -7.755 1.00 0.00 C ATOM 450 CD1 LEU A 668 124.716 1.952 -8.734 1.00 0.00 C ATOM 451 CD2 LEU A 668 127.086 2.431 -8.096 1.00 0.00 C ATOM 0 H LEU A 668 123.217 5.765 -8.040 1.00 0.00 H new ATOM 0 HA LEU A 668 124.117 3.805 -6.013 1.00 0.00 H new ATOM 0 HB2 LEU A 668 124.911 4.451 -8.731 1.00 0.00 H new ATOM 0 HB3 LEU A 668 126.255 4.726 -7.641 1.00 0.00 H new ATOM 0 HG LEU A 668 125.432 2.293 -6.754 1.00 0.00 H new ATOM 0 HD11 LEU A 668 124.946 0.887 -8.719 1.00 0.00 H new ATOM 0 HD12 LEU A 668 123.675 2.102 -8.447 1.00 0.00 H new ATOM 0 HD13 LEU A 668 124.875 2.344 -9.739 1.00 0.00 H new ATOM 0 HD21 LEU A 668 127.283 1.359 -8.090 1.00 0.00 H new ATOM 0 HD22 LEU A 668 127.303 2.834 -9.085 1.00 0.00 H new ATOM 0 HD23 LEU A 668 127.721 2.921 -7.357 1.00 0.00 H new ATOM 463 N TYR A 669 124.141 6.611 -5.262 1.00 0.00 N ATOM 464 CA TYR A 669 124.622 7.710 -4.435 1.00 0.00 C ATOM 465 C TYR A 669 123.660 7.988 -3.281 1.00 0.00 C ATOM 466 O TYR A 669 122.989 9.019 -3.255 1.00 0.00 O ATOM 467 CB TYR A 669 124.802 8.973 -5.281 1.00 0.00 C ATOM 468 CG TYR A 669 125.544 8.735 -6.576 1.00 0.00 C ATOM 469 CD1 TYR A 669 126.875 8.333 -6.574 1.00 0.00 C ATOM 470 CD2 TYR A 669 124.916 8.913 -7.802 1.00 0.00 C ATOM 471 CE1 TYR A 669 127.557 8.116 -7.756 1.00 0.00 C ATOM 472 CE2 TYR A 669 125.590 8.695 -8.989 1.00 0.00 C ATOM 473 CZ TYR A 669 126.909 8.298 -8.960 1.00 0.00 C ATOM 474 OH TYR A 669 127.585 8.082 -10.140 1.00 0.00 O ATOM 0 H TYR A 669 123.127 6.568 -5.359 1.00 0.00 H new ATOM 0 HA TYR A 669 125.586 7.421 -4.017 1.00 0.00 H new ATOM 0 HB2 TYR A 669 123.821 9.392 -5.506 1.00 0.00 H new ATOM 0 HB3 TYR A 669 125.340 9.718 -4.696 1.00 0.00 H new ATOM 0 HD1 TYR A 669 127.384 8.188 -5.633 1.00 0.00 H new ATOM 0 HD2 TYR A 669 123.883 9.227 -7.828 1.00 0.00 H new ATOM 0 HE1 TYR A 669 128.591 7.806 -7.737 1.00 0.00 H new ATOM 0 HE2 TYR A 669 125.086 8.835 -9.934 1.00 0.00 H new ATOM 0 HH TYR A 669 126.986 8.253 -10.896 1.00 0.00 H new ATOM 484 N PRO A 670 123.581 7.065 -2.306 1.00 0.00 N ATOM 485 CA PRO A 670 122.697 7.216 -1.148 1.00 0.00 C ATOM 486 C PRO A 670 123.204 8.264 -0.163 1.00 0.00 C ATOM 487 O PRO A 670 124.410 8.452 -0.008 1.00 0.00 O ATOM 488 CB PRO A 670 122.717 5.827 -0.508 1.00 0.00 C ATOM 489 CG PRO A 670 124.037 5.255 -0.893 1.00 0.00 C ATOM 490 CD PRO A 670 124.348 5.805 -2.259 1.00 0.00 C ATOM 0 HA PRO A 670 121.702 7.556 -1.435 1.00 0.00 H new ATOM 0 HB2 PRO A 670 122.612 5.888 0.575 1.00 0.00 H new ATOM 0 HB3 PRO A 670 121.896 5.210 -0.873 1.00 0.00 H new ATOM 0 HG2 PRO A 670 124.808 5.536 -0.175 1.00 0.00 H new ATOM 0 HG3 PRO A 670 124.000 4.166 -0.911 1.00 0.00 H new ATOM 0 HD2 PRO A 670 125.416 5.980 -2.387 1.00 0.00 H new ATOM 0 HD3 PRO A 670 124.041 5.118 -3.048 1.00 0.00 H new ATOM 498 N ASP A 671 122.275 8.945 0.500 1.00 0.00 N ATOM 499 CA ASP A 671 122.627 9.975 1.469 1.00 0.00 C ATOM 500 C ASP A 671 122.994 9.353 2.813 1.00 0.00 C ATOM 501 O ASP A 671 122.618 8.219 3.106 1.00 0.00 O ATOM 502 CB ASP A 671 121.468 10.957 1.649 1.00 0.00 C ATOM 503 CG ASP A 671 121.285 11.859 0.444 1.00 0.00 C ATOM 504 OD1 ASP A 671 122.231 12.603 0.109 1.00 0.00 O ATOM 505 OD2 ASP A 671 120.194 11.823 -0.164 1.00 0.00 O1- ATOM 0 H ASP A 671 121.272 8.801 0.383 1.00 0.00 H new ATOM 0 HA ASP A 671 123.494 10.515 1.088 1.00 0.00 H new ATOM 0 HB2 ASP A 671 120.548 10.401 1.827 1.00 0.00 H new ATOM 0 HB3 ASP A 671 121.647 11.568 2.534 1.00 0.00 H new ATOM 510 N GLU A 672 123.730 10.104 3.627 1.00 0.00 N ATOM 511 CA GLU A 672 124.148 9.627 4.940 1.00 0.00 C ATOM 512 C GLU A 672 122.940 9.251 5.794 1.00 0.00 C ATOM 513 O GLU A 672 122.964 8.254 6.517 1.00 0.00 O ATOM 514 CB GLU A 672 124.979 10.695 5.655 1.00 0.00 C ATOM 515 CG GLU A 672 126.459 10.644 5.311 1.00 0.00 C ATOM 516 CD GLU A 672 127.346 10.698 6.541 1.00 0.00 C ATOM 517 OE1 GLU A 672 127.000 10.050 7.552 1.00 0.00 O ATOM 518 OE2 GLU A 672 128.386 11.387 6.494 1.00 0.00 O1- ATOM 0 H GLU A 672 124.049 11.046 3.400 1.00 0.00 H new ATOM 0 HA GLU A 672 124.760 8.737 4.796 1.00 0.00 H new ATOM 0 HB2 GLU A 672 124.588 11.680 5.398 1.00 0.00 H new ATOM 0 HB3 GLU A 672 124.860 10.576 6.732 1.00 0.00 H new ATOM 0 HG2 GLU A 672 126.668 9.729 4.757 1.00 0.00 H new ATOM 0 HG3 GLU A 672 126.704 11.478 4.654 1.00 0.00 H new ATOM 525 N GLU A 673 121.885 10.055 5.704 1.00 0.00 N ATOM 526 CA GLU A 673 120.668 9.805 6.466 1.00 0.00 C ATOM 527 C GLU A 673 120.019 8.493 6.040 1.00 0.00 C ATOM 528 O GLU A 673 119.370 7.821 6.841 1.00 0.00 O ATOM 529 CB GLU A 673 119.682 10.961 6.282 1.00 0.00 C ATOM 530 CG GLU A 673 118.989 11.378 7.570 1.00 0.00 C ATOM 531 CD GLU A 673 117.714 12.160 7.317 1.00 0.00 C ATOM 532 OE1 GLU A 673 117.072 11.926 6.273 1.00 0.00 O ATOM 533 OE2 GLU A 673 117.358 13.005 8.167 1.00 0.00 O1- ATOM 0 H GLU A 673 121.849 10.884 5.111 1.00 0.00 H new ATOM 0 HA GLU A 673 120.936 9.729 7.520 1.00 0.00 H new ATOM 0 HB2 GLU A 673 120.213 11.819 5.870 1.00 0.00 H new ATOM 0 HB3 GLU A 673 118.928 10.672 5.550 1.00 0.00 H new ATOM 0 HG2 GLU A 673 118.756 10.490 8.157 1.00 0.00 H new ATOM 0 HG3 GLU A 673 119.671 11.984 8.166 1.00 0.00 H new ATOM 540 N ALA A 674 120.197 8.134 4.773 1.00 0.00 N ATOM 541 CA ALA A 674 119.629 6.901 4.240 1.00 0.00 C ATOM 542 C ALA A 674 120.369 5.679 4.774 1.00 0.00 C ATOM 543 O ALA A 674 119.775 4.620 4.974 1.00 0.00 O ATOM 544 CB ALA A 674 119.663 6.920 2.720 1.00 0.00 C ATOM 0 H ALA A 674 120.730 8.680 4.096 1.00 0.00 H new ATOM 0 HA ALA A 674 118.592 6.835 4.568 1.00 0.00 H new ATOM 0 HB1 ALA A 674 119.236 5.994 2.335 1.00 0.00 H new ATOM 0 HB2 ALA A 674 119.083 7.767 2.354 1.00 0.00 H new ATOM 0 HB3 ALA A 674 120.695 7.013 2.380 1.00 0.00 H new ATOM 550 N ILE A 675 121.670 5.833 5.001 1.00 0.00 N ATOM 551 CA ILE A 675 122.490 4.741 5.509 1.00 0.00 C ATOM 552 C ILE A 675 122.126 4.407 6.953 1.00 0.00 C ATOM 553 O ILE A 675 122.243 3.261 7.383 1.00 0.00 O ATOM 554 CB ILE A 675 123.992 5.083 5.436 1.00 0.00 C ATOM 555 CG1 ILE A 675 124.361 5.561 4.031 1.00 0.00 C ATOM 556 CG2 ILE A 675 124.832 3.877 5.827 1.00 0.00 C ATOM 557 CD1 ILE A 675 125.814 5.960 3.891 1.00 0.00 C ATOM 0 H ILE A 675 122.178 6.703 4.841 1.00 0.00 H new ATOM 0 HA ILE A 675 122.291 3.876 4.876 1.00 0.00 H new ATOM 0 HB ILE A 675 124.199 5.888 6.141 1.00 0.00 H new ATOM 0 HG12 ILE A 675 124.140 4.768 3.316 1.00 0.00 H new ATOM 0 HG13 ILE A 675 123.732 6.412 3.768 1.00 0.00 H new ATOM 0 HG21 ILE A 675 125.889 4.136 5.770 1.00 0.00 H new ATOM 0 HG22 ILE A 675 124.586 3.577 6.846 1.00 0.00 H new ATOM 0 HG23 ILE A 675 124.623 3.052 5.146 1.00 0.00 H new ATOM 0 HD11 ILE A 675 126.004 6.288 2.869 1.00 0.00 H new ATOM 0 HD12 ILE A 675 126.036 6.774 4.581 1.00 0.00 H new ATOM 0 HD13 ILE A 675 126.450 5.105 4.122 1.00 0.00 H new ATOM 569 N GLN A 676 121.684 5.418 7.695 1.00 0.00 N ATOM 570 CA GLN A 676 121.303 5.231 9.090 1.00 0.00 C ATOM 571 C GLN A 676 119.949 4.536 9.197 1.00 0.00 C ATOM 572 O GLN A 676 119.727 3.721 10.094 1.00 0.00 O ATOM 573 CB GLN A 676 121.256 6.578 9.813 1.00 0.00 C ATOM 574 CG GLN A 676 122.626 7.097 10.220 1.00 0.00 C ATOM 575 CD GLN A 676 122.702 8.611 10.208 1.00 0.00 C ATOM 576 OE1 GLN A 676 121.935 9.278 9.511 1.00 0.00 O ATOM 577 NE2 GLN A 676 123.632 9.163 10.978 1.00 0.00 N ATOM 0 H GLN A 676 121.581 6.374 7.354 1.00 0.00 H new ATOM 0 HA GLN A 676 122.054 4.598 9.563 1.00 0.00 H new ATOM 0 HB2 GLN A 676 120.776 7.312 9.166 1.00 0.00 H new ATOM 0 HB3 GLN A 676 120.634 6.482 10.703 1.00 0.00 H new ATOM 0 HG2 GLN A 676 122.867 6.733 11.219 1.00 0.00 H new ATOM 0 HG3 GLN A 676 123.379 6.694 9.543 1.00 0.00 H new ATOM 0 HE21 GLN A 676 124.246 8.573 11.539 1.00 0.00 H new ATOM 0 HE22 GLN A 676 123.733 10.178 11.009 1.00 0.00 H new ATOM 586 N THR A 677 119.047 4.862 8.277 1.00 0.00 N ATOM 587 CA THR A 677 117.715 4.267 8.268 1.00 0.00 C ATOM 588 C THR A 677 117.766 2.811 7.821 1.00 0.00 C ATOM 589 O THR A 677 117.024 1.969 8.329 1.00 0.00 O ATOM 590 CB THR A 677 116.760 5.043 7.344 1.00 0.00 C ATOM 591 OG1 THR A 677 117.114 6.431 7.323 1.00 0.00 O ATOM 592 CG2 THR A 677 115.318 4.889 7.803 1.00 0.00 C ATOM 0 H THR A 677 119.214 5.534 7.528 1.00 0.00 H new ATOM 0 HA THR A 677 117.340 4.317 9.290 1.00 0.00 H new ATOM 0 HB THR A 677 116.851 4.631 6.339 1.00 0.00 H new ATOM 0 HG1 THR A 677 117.891 6.562 6.740 1.00 0.00 H new ATOM 0 HG21 THR A 677 114.662 5.446 7.134 1.00 0.00 H new ATOM 0 HG22 THR A 677 115.042 3.835 7.787 1.00 0.00 H new ATOM 0 HG23 THR A 677 115.216 5.275 8.817 1.00 0.00 H new ATOM 600 N LEU A 678 118.646 2.519 6.869 1.00 0.00 N ATOM 601 CA LEU A 678 118.794 1.163 6.353 1.00 0.00 C ATOM 602 C LEU A 678 119.446 0.255 7.391 1.00 0.00 C ATOM 603 O LEU A 678 119.175 -0.945 7.435 1.00 0.00 O ATOM 604 CB LEU A 678 119.629 1.174 5.071 1.00 0.00 C ATOM 605 CG LEU A 678 118.845 1.476 3.791 1.00 0.00 C ATOM 606 CD1 LEU A 678 119.613 2.452 2.912 1.00 0.00 C ATOM 607 CD2 LEU A 678 118.549 0.192 3.031 1.00 0.00 C ATOM 0 H LEU A 678 119.268 3.204 6.439 1.00 0.00 H new ATOM 0 HA LEU A 678 117.801 0.774 6.129 1.00 0.00 H new ATOM 0 HB2 LEU A 678 120.421 1.915 5.177 1.00 0.00 H new ATOM 0 HB3 LEU A 678 120.113 0.204 4.962 1.00 0.00 H new ATOM 0 HG LEU A 678 117.897 1.937 4.069 1.00 0.00 H new ATOM 0 HD11 LEU A 678 119.040 2.655 2.007 1.00 0.00 H new ATOM 0 HD12 LEU A 678 119.774 3.383 3.456 1.00 0.00 H new ATOM 0 HD13 LEU A 678 120.576 2.019 2.642 1.00 0.00 H new ATOM 0 HD21 LEU A 678 117.991 0.426 2.124 1.00 0.00 H new ATOM 0 HD22 LEU A 678 119.486 -0.297 2.765 1.00 0.00 H new ATOM 0 HD23 LEU A 678 117.957 -0.474 3.659 1.00 0.00 H new ATOM 619 N SER A 679 120.306 0.834 8.224 1.00 0.00 N ATOM 620 CA SER A 679 120.995 0.075 9.258 1.00 0.00 C ATOM 621 C SER A 679 120.017 -0.403 10.327 1.00 0.00 C ATOM 622 O SER A 679 120.066 -1.555 10.756 1.00 0.00 O ATOM 623 CB SER A 679 122.091 0.930 9.900 1.00 0.00 C ATOM 624 OG SER A 679 122.584 0.322 11.082 1.00 0.00 O ATOM 0 H SER A 679 120.541 1.826 8.202 1.00 0.00 H new ATOM 0 HA SER A 679 121.449 -0.799 8.791 1.00 0.00 H new ATOM 0 HB2 SER A 679 122.908 1.072 9.192 1.00 0.00 H new ATOM 0 HB3 SER A 679 121.696 1.919 10.133 1.00 0.00 H new ATOM 0 HG SER A 679 122.536 -0.653 10.993 1.00 0.00 H new ATOM 630 N ALA A 680 119.130 0.491 10.753 1.00 0.00 N ATOM 631 CA ALA A 680 118.141 0.160 11.771 1.00 0.00 C ATOM 632 C ALA A 680 117.133 -0.860 11.249 1.00 0.00 C ATOM 633 O ALA A 680 116.650 -1.709 11.997 1.00 0.00 O ATOM 634 CB ALA A 680 117.426 1.418 12.241 1.00 0.00 C ATOM 0 H ALA A 680 119.077 1.450 10.409 1.00 0.00 H new ATOM 0 HA ALA A 680 118.664 -0.286 12.617 1.00 0.00 H new ATOM 0 HB1 ALA A 680 116.690 1.156 13.001 1.00 0.00 H new ATOM 0 HB2 ALA A 680 118.152 2.113 12.663 1.00 0.00 H new ATOM 0 HB3 ALA A 680 116.923 1.888 11.396 1.00 0.00 H new ATOM 640 N GLN A 681 116.822 -0.767 9.960 1.00 0.00 N ATOM 641 CA GLN A 681 115.872 -1.681 9.336 1.00 0.00 C ATOM 642 C GLN A 681 116.506 -3.047 9.095 1.00 0.00 C ATOM 643 O GLN A 681 115.967 -4.074 9.506 1.00 0.00 O ATOM 644 CB GLN A 681 115.368 -1.100 8.013 1.00 0.00 C ATOM 645 CG GLN A 681 113.941 -1.500 7.678 1.00 0.00 C ATOM 646 CD GLN A 681 113.587 -1.235 6.227 1.00 0.00 C ATOM 647 OE1 GLN A 681 114.434 -0.815 5.437 1.00 0.00 O ATOM 648 NE2 GLN A 681 112.332 -1.476 5.870 1.00 0.00 N ATOM 0 H GLN A 681 117.214 -0.069 9.328 1.00 0.00 H new ATOM 0 HA GLN A 681 115.029 -1.807 10.015 1.00 0.00 H new ATOM 0 HB2 GLN A 681 115.431 -0.013 8.056 1.00 0.00 H new ATOM 0 HB3 GLN A 681 116.027 -1.426 7.208 1.00 0.00 H new ATOM 0 HG2 GLN A 681 113.804 -2.560 7.894 1.00 0.00 H new ATOM 0 HG3 GLN A 681 113.253 -0.952 8.322 1.00 0.00 H new ATOM 0 HE21 GLN A 681 111.664 -1.823 6.558 1.00 0.00 H new ATOM 0 HE22 GLN A 681 112.035 -1.314 4.908 1.00 0.00 H new ATOM 657 N LEU A 682 117.656 -3.050 8.428 1.00 0.00 N ATOM 658 CA LEU A 682 118.365 -4.291 8.133 1.00 0.00 C ATOM 659 C LEU A 682 119.084 -4.828 9.368 1.00 0.00 C ATOM 660 O LEU A 682 119.558 -5.965 9.374 1.00 0.00 O ATOM 661 CB LEU A 682 119.371 -4.068 7.001 1.00 0.00 C ATOM 662 CG LEU A 682 118.770 -3.560 5.690 1.00 0.00 C ATOM 663 CD1 LEU A 682 119.795 -2.752 4.910 1.00 0.00 C ATOM 664 CD2 LEU A 682 118.256 -4.722 4.854 1.00 0.00 C ATOM 0 H LEU A 682 118.117 -2.208 8.082 1.00 0.00 H new ATOM 0 HA LEU A 682 117.628 -5.031 7.821 1.00 0.00 H new ATOM 0 HB2 LEU A 682 120.122 -3.354 7.339 1.00 0.00 H new ATOM 0 HB3 LEU A 682 119.889 -5.007 6.806 1.00 0.00 H new ATOM 0 HG LEU A 682 117.929 -2.908 5.927 1.00 0.00 H new ATOM 0 HD11 LEU A 682 119.349 -2.399 3.980 1.00 0.00 H new ATOM 0 HD12 LEU A 682 120.115 -1.898 5.506 1.00 0.00 H new ATOM 0 HD13 LEU A 682 120.657 -3.379 4.684 1.00 0.00 H new ATOM 0 HD21 LEU A 682 117.832 -4.342 3.925 1.00 0.00 H new ATOM 0 HD22 LEU A 682 119.079 -5.399 4.627 1.00 0.00 H new ATOM 0 HD23 LEU A 682 117.488 -5.259 5.411 1.00 0.00 H new ATOM 676 N ASP A 683 119.169 -4.008 10.414 1.00 0.00 N ATOM 677 CA ASP A 683 119.835 -4.409 11.648 1.00 0.00 C ATOM 678 C ASP A 683 121.311 -4.698 11.400 1.00 0.00 C ATOM 679 O ASP A 683 121.909 -5.546 12.062 1.00 0.00 O ATOM 680 CB ASP A 683 119.155 -5.645 12.244 1.00 0.00 C ATOM 681 CG ASP A 683 117.708 -5.384 12.620 1.00 0.00 C ATOM 682 OD1 ASP A 683 116.986 -4.771 11.807 1.00 0.00 O1- ATOM 683 OD2 ASP A 683 117.301 -5.794 13.726 1.00 0.00 O ATOM 0 H ASP A 683 118.785 -3.063 10.430 1.00 0.00 H new ATOM 0 HA ASP A 683 119.758 -3.584 12.356 1.00 0.00 H new ATOM 0 HB2 ASP A 683 119.199 -6.463 11.525 1.00 0.00 H new ATOM 0 HB3 ASP A 683 119.705 -5.968 13.128 1.00 0.00 H new ATOM 688 N LEU A 684 121.894 -3.987 10.439 1.00 0.00 N ATOM 689 CA LEU A 684 123.300 -4.163 10.101 1.00 0.00 C ATOM 690 C LEU A 684 124.074 -2.861 10.301 1.00 0.00 C ATOM 691 O LEU A 684 123.531 -1.774 10.106 1.00 0.00 O ATOM 692 CB LEU A 684 123.441 -4.638 8.653 1.00 0.00 C ATOM 693 CG LEU A 684 123.406 -6.156 8.463 1.00 0.00 C ATOM 694 CD1 LEU A 684 122.666 -6.518 7.185 1.00 0.00 C ATOM 695 CD2 LEU A 684 124.819 -6.722 8.442 1.00 0.00 C ATOM 0 H LEU A 684 121.412 -3.283 9.881 1.00 0.00 H new ATOM 0 HA LEU A 684 123.718 -4.919 10.766 1.00 0.00 H new ATOM 0 HB2 LEU A 684 122.640 -4.195 8.062 1.00 0.00 H new ATOM 0 HB3 LEU A 684 124.381 -4.259 8.252 1.00 0.00 H new ATOM 0 HG LEU A 684 122.871 -6.596 9.304 1.00 0.00 H new ATOM 0 HD11 LEU A 684 122.652 -7.602 7.067 1.00 0.00 H new ATOM 0 HD12 LEU A 684 121.643 -6.145 7.239 1.00 0.00 H new ATOM 0 HD13 LEU A 684 123.172 -6.067 6.331 1.00 0.00 H new ATOM 0 HD21 LEU A 684 124.776 -7.803 8.306 1.00 0.00 H new ATOM 0 HD22 LEU A 684 125.378 -6.275 7.620 1.00 0.00 H new ATOM 0 HD23 LEU A 684 125.316 -6.494 9.385 1.00 0.00 H new ATOM 707 N PRO A 685 125.356 -2.954 10.694 1.00 0.00 N ATOM 708 CA PRO A 685 126.197 -1.774 10.918 1.00 0.00 C ATOM 709 C PRO A 685 126.461 -1.000 9.631 1.00 0.00 C ATOM 710 O PRO A 685 126.439 -1.565 8.538 1.00 0.00 O ATOM 711 CB PRO A 685 127.503 -2.359 11.467 1.00 0.00 C ATOM 712 CG PRO A 685 127.521 -3.770 10.992 1.00 0.00 C ATOM 713 CD PRO A 685 126.085 -4.210 10.950 1.00 0.00 C ATOM 0 HA PRO A 685 125.722 -1.060 11.590 1.00 0.00 H new ATOM 0 HB2 PRO A 685 128.368 -1.807 11.099 1.00 0.00 H new ATOM 0 HB3 PRO A 685 127.532 -2.308 12.555 1.00 0.00 H new ATOM 0 HG2 PRO A 685 127.981 -3.844 10.007 1.00 0.00 H new ATOM 0 HG3 PRO A 685 128.103 -4.401 11.664 1.00 0.00 H new ATOM 0 HD2 PRO A 685 125.911 -4.944 10.163 1.00 0.00 H new ATOM 0 HD3 PRO A 685 125.777 -4.670 11.889 1.00 0.00 H new ATOM 721 N LYS A 686 126.709 0.299 9.770 1.00 0.00 N ATOM 722 CA LYS A 686 126.977 1.155 8.619 1.00 0.00 C ATOM 723 C LYS A 686 128.141 0.612 7.796 1.00 0.00 C ATOM 724 O LYS A 686 128.144 0.699 6.567 1.00 0.00 O ATOM 725 CB LYS A 686 127.287 2.580 9.081 1.00 0.00 C ATOM 726 CG LYS A 686 126.046 3.399 9.398 1.00 0.00 C ATOM 727 CD LYS A 686 126.335 4.891 9.348 1.00 0.00 C ATOM 728 CE LYS A 686 125.645 5.631 10.483 1.00 0.00 C ATOM 729 NZ LYS A 686 126.539 5.797 11.662 1.00 0.00 N1+ ATOM 0 H LYS A 686 126.730 0.782 10.668 1.00 0.00 H new ATOM 0 HA LYS A 686 126.086 1.168 7.991 1.00 0.00 H new ATOM 0 HB2 LYS A 686 127.920 2.536 9.967 1.00 0.00 H new ATOM 0 HB3 LYS A 686 127.860 3.088 8.305 1.00 0.00 H new ATOM 0 HG2 LYS A 686 125.257 3.156 8.686 1.00 0.00 H new ATOM 0 HG3 LYS A 686 125.676 3.132 10.388 1.00 0.00 H new ATOM 0 HD2 LYS A 686 127.411 5.056 9.406 1.00 0.00 H new ATOM 0 HD3 LYS A 686 126.001 5.295 8.393 1.00 0.00 H new ATOM 0 HE2 LYS A 686 125.320 6.611 10.133 1.00 0.00 H new ATOM 0 HE3 LYS A 686 124.749 5.086 10.780 1.00 0.00 H new ATOM 0 HZ1 LYS A 686 126.031 6.306 12.414 1.00 0.00 H new ATOM 0 HZ2 LYS A 686 126.829 4.862 12.012 1.00 0.00 H new ATOM 0 HZ3 LYS A 686 127.382 6.340 11.385 1.00 0.00 H new ATOM 743 N TYR A 687 129.128 0.048 8.485 1.00 0.00 N ATOM 744 CA TYR A 687 130.304 -0.516 7.828 1.00 0.00 C ATOM 745 C TYR A 687 129.898 -1.508 6.736 1.00 0.00 C ATOM 746 O TYR A 687 130.629 -1.711 5.767 1.00 0.00 O ATOM 747 CB TYR A 687 131.206 -1.195 8.870 1.00 0.00 C ATOM 748 CG TYR A 687 132.034 -2.343 8.330 1.00 0.00 C ATOM 749 CD1 TYR A 687 133.277 -2.117 7.751 1.00 0.00 C ATOM 750 CD2 TYR A 687 131.570 -3.650 8.401 1.00 0.00 C ATOM 751 CE1 TYR A 687 134.034 -3.164 7.260 1.00 0.00 C ATOM 752 CE2 TYR A 687 132.321 -4.701 7.911 1.00 0.00 C ATOM 753 CZ TYR A 687 133.552 -4.453 7.342 1.00 0.00 C ATOM 754 OH TYR A 687 134.302 -5.498 6.854 1.00 0.00 O ATOM 0 H TYR A 687 129.137 -0.031 9.502 1.00 0.00 H new ATOM 0 HA TYR A 687 130.859 0.292 7.352 1.00 0.00 H new ATOM 0 HB2 TYR A 687 131.877 -0.448 9.294 1.00 0.00 H new ATOM 0 HB3 TYR A 687 130.584 -1.564 9.685 1.00 0.00 H new ATOM 0 HD1 TYR A 687 133.657 -1.108 7.684 1.00 0.00 H new ATOM 0 HD2 TYR A 687 130.606 -3.848 8.847 1.00 0.00 H new ATOM 0 HE1 TYR A 687 134.999 -2.973 6.814 1.00 0.00 H new ATOM 0 HE2 TYR A 687 131.946 -5.712 7.973 1.00 0.00 H new ATOM 0 HH TYR A 687 133.819 -6.339 6.991 1.00 0.00 H new ATOM 764 N THR A 688 128.730 -2.125 6.901 1.00 0.00 N ATOM 765 CA THR A 688 128.235 -3.092 5.930 1.00 0.00 C ATOM 766 C THR A 688 127.548 -2.397 4.760 1.00 0.00 C ATOM 767 O THR A 688 127.571 -2.892 3.631 1.00 0.00 O ATOM 768 CB THR A 688 127.248 -4.081 6.576 1.00 0.00 C ATOM 769 OG1 THR A 688 127.713 -4.460 7.876 1.00 0.00 O ATOM 770 CG2 THR A 688 127.079 -5.321 5.710 1.00 0.00 C ATOM 0 H THR A 688 128.111 -1.971 7.697 1.00 0.00 H new ATOM 0 HA THR A 688 129.102 -3.642 5.563 1.00 0.00 H new ATOM 0 HB THR A 688 126.281 -3.587 6.667 1.00 0.00 H new ATOM 0 HG1 THR A 688 127.078 -5.088 8.280 1.00 0.00 H new ATOM 0 HG21 THR A 688 126.377 -6.005 6.187 1.00 0.00 H new ATOM 0 HG22 THR A 688 126.696 -5.032 4.731 1.00 0.00 H new ATOM 0 HG23 THR A 688 128.043 -5.815 5.590 1.00 0.00 H new ATOM 778 N ILE A 689 126.933 -1.251 5.033 1.00 0.00 N ATOM 779 CA ILE A 689 126.238 -0.491 4.001 1.00 0.00 C ATOM 780 C ILE A 689 127.213 0.352 3.187 1.00 0.00 C ATOM 781 O ILE A 689 127.043 0.525 1.980 1.00 0.00 O ATOM 782 CB ILE A 689 125.165 0.432 4.609 1.00 0.00 C ATOM 783 CG1 ILE A 689 124.283 -0.348 5.586 1.00 0.00 C ATOM 784 CG2 ILE A 689 124.321 1.061 3.510 1.00 0.00 C ATOM 785 CD1 ILE A 689 123.199 0.493 6.225 1.00 0.00 C ATOM 0 H ILE A 689 126.902 -0.828 5.961 1.00 0.00 H new ATOM 0 HA ILE A 689 125.755 -1.217 3.347 1.00 0.00 H new ATOM 0 HB ILE A 689 125.664 1.231 5.158 1.00 0.00 H new ATOM 0 HG12 ILE A 689 123.821 -1.183 5.059 1.00 0.00 H new ATOM 0 HG13 ILE A 689 124.910 -0.774 6.369 1.00 0.00 H new ATOM 0 HG21 ILE A 689 123.568 1.710 3.956 1.00 0.00 H new ATOM 0 HG22 ILE A 689 124.961 1.647 2.851 1.00 0.00 H new ATOM 0 HG23 ILE A 689 123.829 0.276 2.935 1.00 0.00 H new ATOM 0 HD11 ILE A 689 122.613 -0.125 6.905 1.00 0.00 H new ATOM 0 HD12 ILE A 689 123.654 1.313 6.780 1.00 0.00 H new ATOM 0 HD13 ILE A 689 122.548 0.897 5.450 1.00 0.00 H new ATOM 797 N ILE A 690 128.236 0.875 3.856 1.00 0.00 N ATOM 798 CA ILE A 690 129.238 1.702 3.195 1.00 0.00 C ATOM 799 C ILE A 690 130.112 0.867 2.263 1.00 0.00 C ATOM 800 O ILE A 690 130.448 1.300 1.160 1.00 0.00 O ATOM 801 CB ILE A 690 130.137 2.422 4.221 1.00 0.00 C ATOM 802 CG1 ILE A 690 129.282 3.155 5.255 1.00 0.00 C ATOM 803 CG2 ILE A 690 131.076 3.391 3.518 1.00 0.00 C ATOM 804 CD1 ILE A 690 129.960 3.313 6.598 1.00 0.00 C ATOM 0 H ILE A 690 128.392 0.740 4.855 1.00 0.00 H new ATOM 0 HA ILE A 690 128.699 2.448 2.610 1.00 0.00 H new ATOM 0 HB ILE A 690 130.740 1.676 4.739 1.00 0.00 H new ATOM 0 HG12 ILE A 690 129.025 4.141 4.869 1.00 0.00 H new ATOM 0 HG13 ILE A 690 128.346 2.613 5.391 1.00 0.00 H new ATOM 0 HG21 ILE A 690 131.703 3.890 4.257 1.00 0.00 H new ATOM 0 HG22 ILE A 690 131.706 2.843 2.818 1.00 0.00 H new ATOM 0 HG23 ILE A 690 130.492 4.135 2.976 1.00 0.00 H new ATOM 0 HD11 ILE A 690 129.295 3.842 7.281 1.00 0.00 H new ATOM 0 HD12 ILE A 690 130.192 2.329 7.006 1.00 0.00 H new ATOM 0 HD13 ILE A 690 130.882 3.882 6.476 1.00 0.00 H new ATOM 816 N LYS A 691 130.479 -0.327 2.715 1.00 0.00 N ATOM 817 CA LYS A 691 131.315 -1.220 1.920 1.00 0.00 C ATOM 818 C LYS A 691 130.546 -1.757 0.717 1.00 0.00 C ATOM 819 O LYS A 691 131.103 -1.907 -0.371 1.00 0.00 O ATOM 820 CB LYS A 691 131.818 -2.380 2.780 1.00 0.00 C ATOM 821 CG LYS A 691 133.142 -2.095 3.471 1.00 0.00 C ATOM 822 CD LYS A 691 133.927 -3.374 3.719 1.00 0.00 C ATOM 823 CE LYS A 691 134.628 -3.851 2.458 1.00 0.00 C ATOM 824 NZ LYS A 691 135.819 -3.018 2.136 1.00 0.00 N1+ ATOM 0 H LYS A 691 130.211 -0.699 3.626 1.00 0.00 H new ATOM 0 HA LYS A 691 132.170 -0.650 1.556 1.00 0.00 H new ATOM 0 HB2 LYS A 691 131.067 -2.615 3.534 1.00 0.00 H new ATOM 0 HB3 LYS A 691 131.928 -3.265 2.153 1.00 0.00 H new ATOM 0 HG2 LYS A 691 133.735 -1.416 2.858 1.00 0.00 H new ATOM 0 HG3 LYS A 691 132.958 -1.590 4.419 1.00 0.00 H new ATOM 0 HD2 LYS A 691 134.664 -3.203 4.504 1.00 0.00 H new ATOM 0 HD3 LYS A 691 133.253 -4.152 4.078 1.00 0.00 H new ATOM 0 HE2 LYS A 691 134.935 -4.889 2.584 1.00 0.00 H new ATOM 0 HE3 LYS A 691 133.929 -3.824 1.622 1.00 0.00 H new ATOM 0 HZ1 LYS A 691 136.382 -3.488 1.399 1.00 0.00 H new ATOM 0 HZ2 LYS A 691 135.509 -2.086 1.794 1.00 0.00 H new ATOM 0 HZ3 LYS A 691 136.399 -2.897 2.990 1.00 0.00 H new ATOM 838 N PHE A 692 129.265 -2.046 0.920 1.00 0.00 N ATOM 839 CA PHE A 692 128.420 -2.567 -0.148 1.00 0.00 C ATOM 840 C PHE A 692 128.253 -1.539 -1.263 1.00 0.00 C ATOM 841 O PHE A 692 128.531 -1.823 -2.428 1.00 0.00 O ATOM 842 CB PHE A 692 127.051 -2.963 0.406 1.00 0.00 C ATOM 843 CG PHE A 692 126.160 -3.624 -0.608 1.00 0.00 C ATOM 844 CD1 PHE A 692 126.320 -4.965 -0.920 1.00 0.00 C ATOM 845 CD2 PHE A 692 125.162 -2.906 -1.245 1.00 0.00 C ATOM 846 CE1 PHE A 692 125.503 -5.576 -1.851 1.00 0.00 C ATOM 847 CE2 PHE A 692 124.341 -3.511 -2.178 1.00 0.00 C ATOM 848 CZ PHE A 692 124.512 -4.849 -2.482 1.00 0.00 C ATOM 0 H PHE A 692 128.789 -1.928 1.815 1.00 0.00 H new ATOM 0 HA PHE A 692 128.906 -3.449 -0.564 1.00 0.00 H new ATOM 0 HB2 PHE A 692 127.191 -3.639 1.250 1.00 0.00 H new ATOM 0 HB3 PHE A 692 126.552 -2.073 0.790 1.00 0.00 H new ATOM 0 HD1 PHE A 692 127.092 -5.539 -0.429 1.00 0.00 H new ATOM 0 HD2 PHE A 692 125.023 -1.861 -1.010 1.00 0.00 H new ATOM 0 HE1 PHE A 692 125.639 -6.621 -2.086 1.00 0.00 H new ATOM 0 HE2 PHE A 692 123.567 -2.940 -2.669 1.00 0.00 H new ATOM 0 HZ PHE A 692 123.872 -5.325 -3.211 1.00 0.00 H new ATOM 858 N PHE A 693 127.799 -0.346 -0.897 1.00 0.00 N ATOM 859 CA PHE A 693 127.593 0.724 -1.865 1.00 0.00 C ATOM 860 C PHE A 693 128.905 1.104 -2.545 1.00 0.00 C ATOM 861 O PHE A 693 128.950 1.309 -3.758 1.00 0.00 O ATOM 862 CB PHE A 693 126.986 1.950 -1.181 1.00 0.00 C ATOM 863 CG PHE A 693 125.495 1.867 -1.014 1.00 0.00 C ATOM 864 CD1 PHE A 693 124.677 1.600 -2.100 1.00 0.00 C ATOM 865 CD2 PHE A 693 124.913 2.057 0.229 1.00 0.00 C ATOM 866 CE1 PHE A 693 123.306 1.523 -1.950 1.00 0.00 C ATOM 867 CE2 PHE A 693 123.542 1.980 0.385 1.00 0.00 C ATOM 868 CZ PHE A 693 122.737 1.713 -0.705 1.00 0.00 C ATOM 0 H PHE A 693 127.566 -0.095 0.064 1.00 0.00 H new ATOM 0 HA PHE A 693 126.902 0.362 -2.626 1.00 0.00 H new ATOM 0 HB2 PHE A 693 127.447 2.075 -0.201 1.00 0.00 H new ATOM 0 HB3 PHE A 693 127.229 2.839 -1.763 1.00 0.00 H new ATOM 0 HD1 PHE A 693 125.116 1.450 -3.075 1.00 0.00 H new ATOM 0 HD2 PHE A 693 125.537 2.267 1.085 1.00 0.00 H new ATOM 0 HE1 PHE A 693 122.679 1.315 -2.805 1.00 0.00 H new ATOM 0 HE2 PHE A 693 123.100 2.129 1.359 1.00 0.00 H new ATOM 0 HZ PHE A 693 121.665 1.653 -0.585 1.00 0.00 H new ATOM 878 N GLN A 694 129.971 1.195 -1.756 1.00 0.00 N ATOM 879 CA GLN A 694 131.282 1.550 -2.283 1.00 0.00 C ATOM 880 C GLN A 694 131.794 0.479 -3.240 1.00 0.00 C ATOM 881 O GLN A 694 132.348 0.787 -4.295 1.00 0.00 O ATOM 882 CB GLN A 694 132.279 1.746 -1.138 1.00 0.00 C ATOM 883 CG GLN A 694 132.211 3.125 -0.502 1.00 0.00 C ATOM 884 CD GLN A 694 133.425 3.432 0.355 1.00 0.00 C ATOM 885 OE1 GLN A 694 133.357 3.396 1.583 1.00 0.00 O ATOM 886 NE2 GLN A 694 134.545 3.735 -0.291 1.00 0.00 N ATOM 0 H GLN A 694 129.952 1.028 -0.750 1.00 0.00 H new ATOM 0 HA GLN A 694 131.182 2.485 -2.834 1.00 0.00 H new ATOM 0 HB2 GLN A 694 132.093 0.992 -0.373 1.00 0.00 H new ATOM 0 HB3 GLN A 694 133.288 1.577 -1.513 1.00 0.00 H new ATOM 0 HG2 GLN A 694 132.123 3.878 -1.285 1.00 0.00 H new ATOM 0 HG3 GLN A 694 131.312 3.195 0.110 1.00 0.00 H new ATOM 0 HE21 GLN A 694 134.557 3.753 -1.311 1.00 0.00 H new ATOM 0 HE22 GLN A 694 135.394 3.950 0.233 1.00 0.00 H new ATOM 895 N ASN A 695 131.606 -0.783 -2.863 1.00 0.00 N ATOM 896 CA ASN A 695 132.049 -1.901 -3.688 1.00 0.00 C ATOM 897 C ASN A 695 131.347 -1.890 -5.043 1.00 0.00 C ATOM 898 O ASN A 695 131.951 -2.208 -6.069 1.00 0.00 O ATOM 899 CB ASN A 695 131.783 -3.227 -2.973 1.00 0.00 C ATOM 900 CG ASN A 695 132.981 -3.707 -2.178 1.00 0.00 C ATOM 901 OD1 ASN A 695 133.575 -4.738 -2.491 1.00 0.00 O ATOM 902 ND2 ASN A 695 133.344 -2.957 -1.144 1.00 0.00 N ATOM 0 H ASN A 695 131.150 -1.056 -1.992 1.00 0.00 H new ATOM 0 HA ASN A 695 133.121 -1.795 -3.854 1.00 0.00 H new ATOM 0 HB2 ASN A 695 130.930 -3.111 -2.304 1.00 0.00 H new ATOM 0 HB3 ASN A 695 131.511 -3.985 -3.708 1.00 0.00 H new ATOM 0 HD21 ASN A 695 134.145 -3.228 -0.573 1.00 0.00 H new ATOM 0 HD22 ASN A 695 132.822 -2.109 -0.921 1.00 0.00 H new ATOM 909 N GLN A 696 130.070 -1.525 -5.039 1.00 0.00 N ATOM 910 CA GLN A 696 129.286 -1.474 -6.267 1.00 0.00 C ATOM 911 C GLN A 696 129.830 -0.416 -7.220 1.00 0.00 C ATOM 912 O GLN A 696 129.945 -0.650 -8.423 1.00 0.00 O ATOM 913 CB GLN A 696 127.818 -1.181 -5.947 1.00 0.00 C ATOM 914 CG GLN A 696 127.141 -2.276 -5.139 1.00 0.00 C ATOM 915 CD GLN A 696 126.639 -3.414 -6.005 1.00 0.00 C ATOM 916 OE1 GLN A 696 127.165 -3.663 -7.090 1.00 0.00 O ATOM 917 NE2 GLN A 696 125.614 -4.111 -5.529 1.00 0.00 N ATOM 0 H GLN A 696 129.556 -1.260 -4.199 1.00 0.00 H new ATOM 0 HA GLN A 696 129.360 -2.446 -6.754 1.00 0.00 H new ATOM 0 HB2 GLN A 696 127.755 -0.243 -5.396 1.00 0.00 H new ATOM 0 HB3 GLN A 696 127.273 -1.040 -6.880 1.00 0.00 H new ATOM 0 HG2 GLN A 696 127.844 -2.667 -4.403 1.00 0.00 H new ATOM 0 HG3 GLN A 696 126.305 -1.849 -4.585 1.00 0.00 H new ATOM 0 HE21 GLN A 696 125.209 -3.869 -4.625 1.00 0.00 H new ATOM 0 HE22 GLN A 696 125.232 -4.888 -6.068 1.00 0.00 H new ATOM 926 N ARG A 697 130.164 0.751 -6.675 1.00 0.00 N ATOM 927 CA ARG A 697 130.695 1.845 -7.479 1.00 0.00 C ATOM 928 C ARG A 697 131.988 1.433 -8.175 1.00 0.00 C ATOM 929 O ARG A 697 132.243 1.825 -9.314 1.00 0.00 O ATOM 930 CB ARG A 697 130.942 3.075 -6.602 1.00 0.00 C ATOM 931 CG ARG A 697 129.760 4.029 -6.546 1.00 0.00 C ATOM 932 CD ARG A 697 130.043 5.214 -5.638 1.00 0.00 C ATOM 933 NE ARG A 697 129.355 5.098 -4.354 1.00 0.00 N ATOM 934 CZ ARG A 697 129.546 5.929 -3.332 1.00 0.00 C ATOM 935 NH1 ARG A 697 130.401 6.938 -3.439 1.00 0.00 N1+ ATOM 936 NH2 ARG A 697 128.877 5.751 -2.200 1.00 0.00 N ATOM 0 H ARG A 697 130.076 0.962 -5.681 1.00 0.00 H new ATOM 0 HA ARG A 697 129.958 2.093 -8.243 1.00 0.00 H new ATOM 0 HB2 ARG A 697 131.182 2.747 -5.591 1.00 0.00 H new ATOM 0 HB3 ARG A 697 131.813 3.611 -6.979 1.00 0.00 H new ATOM 0 HG2 ARG A 697 129.531 4.385 -7.550 1.00 0.00 H new ATOM 0 HG3 ARG A 697 128.879 3.497 -6.188 1.00 0.00 H new ATOM 0 HD2 ARG A 697 131.117 5.292 -5.468 1.00 0.00 H new ATOM 0 HD3 ARG A 697 129.732 6.133 -6.134 1.00 0.00 H new ATOM 0 HE ARG A 697 128.689 4.335 -4.234 1.00 0.00 H new ATOM 0 HH11 ARG A 697 130.916 7.080 -4.308 1.00 0.00 H new ATOM 0 HH12 ARG A 697 130.543 7.572 -2.652 1.00 0.00 H new ATOM 0 HH21 ARG A 697 128.217 4.978 -2.114 1.00 0.00 H new ATOM 0 HH22 ARG A 697 129.023 6.387 -1.416 1.00 0.00 H new ATOM 950 N TYR A 698 132.801 0.642 -7.482 1.00 0.00 N ATOM 951 CA TYR A 698 134.068 0.177 -8.034 1.00 0.00 C ATOM 952 C TYR A 698 133.842 -0.667 -9.285 1.00 0.00 C ATOM 953 O TYR A 698 134.360 -0.359 -10.358 1.00 0.00 O ATOM 954 CB TYR A 698 134.838 -0.633 -6.988 1.00 0.00 C ATOM 955 CG TYR A 698 136.154 -0.007 -6.585 1.00 0.00 C ATOM 956 CD1 TYR A 698 137.318 -0.276 -7.295 1.00 0.00 C ATOM 957 CD2 TYR A 698 136.232 0.850 -5.495 1.00 0.00 C ATOM 958 CE1 TYR A 698 138.523 0.293 -6.928 1.00 0.00 C ATOM 959 CE2 TYR A 698 137.433 1.425 -5.124 1.00 0.00 C ATOM 960 CZ TYR A 698 138.575 1.143 -5.845 1.00 0.00 C ATOM 961 OH TYR A 698 139.773 1.711 -5.477 1.00 0.00 O ATOM 0 H TYR A 698 132.605 0.310 -6.538 1.00 0.00 H new ATOM 0 HA TYR A 698 134.657 1.051 -8.311 1.00 0.00 H new ATOM 0 HB2 TYR A 698 134.215 -0.751 -6.101 1.00 0.00 H new ATOM 0 HB3 TYR A 698 135.026 -1.632 -7.381 1.00 0.00 H new ATOM 0 HD1 TYR A 698 137.280 -0.940 -8.146 1.00 0.00 H new ATOM 0 HD2 TYR A 698 135.340 1.071 -4.928 1.00 0.00 H new ATOM 0 HE1 TYR A 698 139.420 0.072 -7.488 1.00 0.00 H new ATOM 0 HE2 TYR A 698 137.477 2.091 -4.275 1.00 0.00 H new ATOM 0 HH TYR A 698 139.636 2.285 -4.695 1.00 0.00 H new ATOM 971 N TYR A 699 133.061 -1.734 -9.139 1.00 0.00 N ATOM 972 CA TYR A 699 132.762 -2.630 -10.251 1.00 0.00 C ATOM 973 C TYR A 699 132.262 -1.852 -11.468 1.00 0.00 C ATOM 974 O TYR A 699 132.419 -2.294 -12.607 1.00 0.00 O ATOM 975 CB TYR A 699 131.717 -3.664 -9.830 1.00 0.00 C ATOM 976 CG TYR A 699 131.351 -4.642 -10.925 1.00 0.00 C ATOM 977 CD1 TYR A 699 132.292 -5.525 -11.437 1.00 0.00 C ATOM 978 CD2 TYR A 699 130.063 -4.679 -11.443 1.00 0.00 C ATOM 979 CE1 TYR A 699 131.960 -6.420 -12.437 1.00 0.00 C ATOM 980 CE2 TYR A 699 129.723 -5.571 -12.444 1.00 0.00 C ATOM 981 CZ TYR A 699 130.674 -6.439 -12.936 1.00 0.00 C ATOM 982 OH TYR A 699 130.340 -7.328 -13.932 1.00 0.00 O ATOM 0 H TYR A 699 132.622 -1.999 -8.257 1.00 0.00 H new ATOM 0 HA TYR A 699 133.684 -3.142 -10.527 1.00 0.00 H new ATOM 0 HB2 TYR A 699 132.094 -4.219 -8.971 1.00 0.00 H new ATOM 0 HB3 TYR A 699 130.816 -3.144 -9.504 1.00 0.00 H new ATOM 0 HD1 TYR A 699 133.299 -5.513 -11.048 1.00 0.00 H new ATOM 0 HD2 TYR A 699 129.315 -4.001 -11.058 1.00 0.00 H new ATOM 0 HE1 TYR A 699 132.703 -7.101 -12.825 1.00 0.00 H new ATOM 0 HE2 TYR A 699 128.718 -5.587 -12.838 1.00 0.00 H new ATOM 0 HH TYR A 699 129.396 -7.213 -14.170 1.00 0.00 H new ATOM 992 N LEU A 700 131.660 -0.693 -11.220 1.00 0.00 N ATOM 993 CA LEU A 700 131.138 0.142 -12.296 1.00 0.00 C ATOM 994 C LEU A 700 132.260 0.925 -12.974 1.00 0.00 C ATOM 995 O LEU A 700 132.173 1.251 -14.158 1.00 0.00 O ATOM 996 CB LEU A 700 130.080 1.106 -11.754 1.00 0.00 C ATOM 997 CG LEU A 700 128.631 0.674 -11.987 1.00 0.00 C ATOM 998 CD1 LEU A 700 128.139 -0.186 -10.834 1.00 0.00 C ATOM 999 CD2 LEU A 700 127.736 1.891 -12.168 1.00 0.00 C ATOM 0 H LEU A 700 131.522 -0.311 -10.284 1.00 0.00 H new ATOM 0 HA LEU A 700 130.678 -0.511 -13.038 1.00 0.00 H new ATOM 0 HB2 LEU A 700 130.238 1.230 -10.683 1.00 0.00 H new ATOM 0 HB3 LEU A 700 130.230 2.083 -12.214 1.00 0.00 H new ATOM 0 HG LEU A 700 128.590 0.079 -12.899 1.00 0.00 H new ATOM 0 HD11 LEU A 700 127.107 -0.484 -11.017 1.00 0.00 H new ATOM 0 HD12 LEU A 700 128.764 -1.075 -10.751 1.00 0.00 H new ATOM 0 HD13 LEU A 700 128.193 0.384 -9.906 1.00 0.00 H new ATOM 0 HD21 LEU A 700 126.709 1.566 -12.333 1.00 0.00 H new ATOM 0 HD22 LEU A 700 127.781 2.512 -11.273 1.00 0.00 H new ATOM 0 HD23 LEU A 700 128.076 2.468 -13.028 1.00 0.00 H new ATOM 1011 N LYS A 701 133.310 1.227 -12.216 1.00 0.00 N ATOM 1012 CA LYS A 701 134.444 1.975 -12.748 1.00 0.00 C ATOM 1013 C LYS A 701 135.730 1.157 -12.661 1.00 0.00 C ATOM 1014 O LYS A 701 136.822 1.712 -12.536 1.00 0.00 O ATOM 1015 CB LYS A 701 134.610 3.296 -11.991 1.00 0.00 C ATOM 1016 CG LYS A 701 134.509 4.523 -12.883 1.00 0.00 C ATOM 1017 CD LYS A 701 133.379 5.441 -12.448 1.00 0.00 C ATOM 1018 CE LYS A 701 133.055 6.473 -13.516 1.00 0.00 C ATOM 1019 NZ LYS A 701 131.604 6.801 -13.550 1.00 0.00 N1+ ATOM 0 H LYS A 701 133.399 0.966 -11.234 1.00 0.00 H new ATOM 0 HA LYS A 701 134.245 2.188 -13.798 1.00 0.00 H new ATOM 0 HB2 LYS A 701 133.849 3.358 -11.213 1.00 0.00 H new ATOM 0 HB3 LYS A 701 135.578 3.299 -11.490 1.00 0.00 H new ATOM 0 HG2 LYS A 701 135.452 5.069 -12.859 1.00 0.00 H new ATOM 0 HG3 LYS A 701 134.348 4.211 -13.915 1.00 0.00 H new ATOM 0 HD2 LYS A 701 132.490 4.848 -12.232 1.00 0.00 H new ATOM 0 HD3 LYS A 701 133.656 5.948 -11.524 1.00 0.00 H new ATOM 0 HE2 LYS A 701 133.628 7.381 -13.329 1.00 0.00 H new ATOM 0 HE3 LYS A 701 133.365 6.096 -14.491 1.00 0.00 H new ATOM 0 HZ1 LYS A 701 131.425 7.508 -14.291 1.00 0.00 H new ATOM 0 HZ2 LYS A 701 131.058 5.940 -13.754 1.00 0.00 H new ATOM 0 HZ3 LYS A 701 131.313 7.185 -12.628 1.00 0.00 H new ATOM 1033 N HIS A 702 135.596 -0.164 -12.727 1.00 0.00 N ATOM 1034 CA HIS A 702 136.750 -1.053 -12.656 1.00 0.00 C ATOM 1035 C HIS A 702 136.428 -2.416 -13.262 1.00 0.00 C ATOM 1036 O HIS A 702 136.425 -3.432 -12.569 1.00 0.00 O ATOM 1037 CB HIS A 702 137.203 -1.219 -11.203 1.00 0.00 C ATOM 1038 CG HIS A 702 137.956 -0.039 -10.672 1.00 0.00 C ATOM 1039 ND1 HIS A 702 137.532 1.042 -9.977 1.00 0.00 N flip ATOM 1040 CD2 HIS A 702 139.316 0.121 -10.835 1.00 0.00 C flip ATOM 1041 CE1 HIS A 702 138.632 1.828 -9.735 1.00 0.00 C flip ATOM 1042 NE2 HIS A 702 139.695 1.250 -10.263 1.00 0.00 N flip ATOM 0 H HIS A 702 134.701 -0.642 -12.829 1.00 0.00 H new ATOM 0 HA HIS A 702 137.559 -0.604 -13.232 1.00 0.00 H new ATOM 0 HB2 HIS A 702 136.329 -1.394 -10.576 1.00 0.00 H new ATOM 0 HB3 HIS A 702 137.832 -2.106 -11.126 1.00 0.00 H new ATOM 0 HD2 HIS A 702 139.969 -0.568 -11.350 1.00 0.00 H new ATOM 0 HE1 HIS A 702 138.628 2.766 -9.200 1.00 0.00 H new ATOM 0 HE2 HIS A 702 140.648 1.614 -10.234 1.00 0.00 H new ATOM 1051 N HIS A 703 136.157 -2.429 -14.564 1.00 0.00 N ATOM 1052 CA HIS A 703 135.835 -3.666 -15.264 1.00 0.00 C ATOM 1053 C HIS A 703 137.095 -4.302 -15.846 1.00 0.00 C ATOM 1054 O HIS A 703 137.144 -4.644 -17.029 1.00 0.00 O ATOM 1055 CB HIS A 703 134.819 -3.398 -16.376 1.00 0.00 C ATOM 1056 CG HIS A 703 133.397 -3.562 -15.936 1.00 0.00 C ATOM 1057 ND1 HIS A 703 132.319 -3.240 -16.734 1.00 0.00 N ATOM 1058 CD2 HIS A 703 132.876 -4.022 -14.773 1.00 0.00 C ATOM 1059 CE1 HIS A 703 131.199 -3.491 -16.081 1.00 0.00 C ATOM 1060 NE2 HIS A 703 131.510 -3.967 -14.889 1.00 0.00 N ATOM 0 H HIS A 703 136.154 -1.597 -15.154 1.00 0.00 H new ATOM 0 HA HIS A 703 135.398 -4.360 -14.546 1.00 0.00 H new ATOM 0 HB2 HIS A 703 134.961 -2.384 -16.751 1.00 0.00 H new ATOM 0 HB3 HIS A 703 135.015 -4.075 -17.207 1.00 0.00 H new ATOM 0 HD2 HIS A 703 133.432 -4.368 -13.914 1.00 0.00 H new ATOM 0 HE1 HIS A 703 130.199 -3.334 -16.458 1.00 0.00 H new ATOM 0 HE2 HIS A 703 130.843 -4.248 -14.171 1.00 0.00 H new ATOM 1069 N GLY A 704 138.115 -4.458 -15.007 1.00 0.00 N ATOM 1070 CA GLY A 704 139.360 -5.052 -15.455 1.00 0.00 C ATOM 1071 C GLY A 704 139.375 -6.559 -15.294 1.00 0.00 C ATOM 1072 O GLY A 704 139.601 -7.072 -14.197 1.00 0.00 O ATOM 0 H GLY A 704 138.101 -4.183 -14.025 1.00 0.00 H new ATOM 0 HA2 GLY A 704 139.523 -4.800 -16.503 1.00 0.00 H new ATOM 0 HA3 GLY A 704 140.188 -4.621 -14.892 1.00 0.00 H new ATOM 1076 N LYS A 705 139.133 -7.272 -16.389 1.00 0.00 N ATOM 1077 CA LYS A 705 139.119 -8.731 -16.365 1.00 0.00 C ATOM 1078 C LYS A 705 138.042 -9.248 -15.417 1.00 0.00 C ATOM 1079 O LYS A 705 138.253 -10.221 -14.693 1.00 0.00 O ATOM 1080 CB LYS A 705 140.488 -9.268 -15.943 1.00 0.00 C ATOM 1081 CG LYS A 705 141.467 -9.415 -17.098 1.00 0.00 C ATOM 1082 CD LYS A 705 140.972 -10.424 -18.124 1.00 0.00 C ATOM 1083 CE LYS A 705 140.529 -9.742 -19.408 1.00 0.00 C ATOM 1084 NZ LYS A 705 140.281 -10.723 -20.500 1.00 0.00 N1+ ATOM 0 H LYS A 705 138.944 -6.864 -17.304 1.00 0.00 H new ATOM 0 HA LYS A 705 138.893 -9.085 -17.371 1.00 0.00 H new ATOM 0 HB2 LYS A 705 140.917 -8.599 -15.197 1.00 0.00 H new ATOM 0 HB3 LYS A 705 140.356 -10.238 -15.463 1.00 0.00 H new ATOM 0 HG2 LYS A 705 141.612 -8.447 -17.578 1.00 0.00 H new ATOM 0 HG3 LYS A 705 142.438 -9.730 -16.716 1.00 0.00 H new ATOM 0 HD2 LYS A 705 141.765 -11.138 -18.345 1.00 0.00 H new ATOM 0 HD3 LYS A 705 140.140 -10.991 -17.706 1.00 0.00 H new ATOM 0 HE2 LYS A 705 139.620 -9.170 -19.220 1.00 0.00 H new ATOM 0 HE3 LYS A 705 141.293 -9.032 -19.724 1.00 0.00 H new ATOM 0 HZ1 LYS A 705 139.981 -10.218 -21.358 1.00 0.00 H new ATOM 0 HZ2 LYS A 705 141.155 -11.252 -20.697 1.00 0.00 H new ATOM 0 HZ3 LYS A 705 139.534 -11.385 -20.209 1.00 0.00 H new ATOM 1098 N LEU A 706 136.887 -8.589 -15.427 1.00 0.00 N ATOM 1099 CA LEU A 706 135.776 -8.982 -14.569 1.00 0.00 C ATOM 1100 C LEU A 706 134.537 -9.308 -15.397 1.00 0.00 C ATOM 1101 O LEU A 706 134.260 -8.653 -16.402 1.00 0.00 O ATOM 1102 CB LEU A 706 135.457 -7.867 -13.571 1.00 0.00 C ATOM 1103 CG LEU A 706 136.456 -7.720 -12.422 1.00 0.00 C ATOM 1104 CD1 LEU A 706 136.064 -6.562 -11.518 1.00 0.00 C ATOM 1105 CD2 LEU A 706 136.544 -9.015 -11.626 1.00 0.00 C ATOM 0 H LEU A 706 136.697 -7.781 -16.020 1.00 0.00 H new ATOM 0 HA LEU A 706 136.071 -9.878 -14.022 1.00 0.00 H new ATOM 0 HB2 LEU A 706 135.406 -6.921 -14.111 1.00 0.00 H new ATOM 0 HB3 LEU A 706 134.468 -8.049 -13.151 1.00 0.00 H new ATOM 0 HG LEU A 706 137.438 -7.507 -12.844 1.00 0.00 H new ATOM 0 HD11 LEU A 706 136.786 -6.473 -10.707 1.00 0.00 H new ATOM 0 HD12 LEU A 706 136.051 -5.638 -12.096 1.00 0.00 H new ATOM 0 HD13 LEU A 706 135.073 -6.744 -11.103 1.00 0.00 H new ATOM 0 HD21 LEU A 706 137.259 -8.894 -10.812 1.00 0.00 H new ATOM 0 HD22 LEU A 706 135.564 -9.257 -11.215 1.00 0.00 H new ATOM 0 HD23 LEU A 706 136.872 -9.823 -12.280 1.00 0.00 H new ATOM 1117 N LYS A 707 133.795 -10.325 -14.969 1.00 0.00 N ATOM 1118 CA LYS A 707 132.585 -10.739 -15.671 1.00 0.00 C ATOM 1119 C LYS A 707 132.908 -11.204 -17.088 1.00 0.00 C ATOM 1120 O LYS A 707 133.990 -10.840 -17.597 1.00 0.00 O ATOM 1121 CB LYS A 707 131.577 -9.589 -15.716 1.00 0.00 C ATOM 1122 CG LYS A 707 130.241 -9.975 -16.332 1.00 0.00 C ATOM 1123 CD LYS A 707 129.475 -10.940 -15.442 1.00 0.00 C ATOM 1124 CE LYS A 707 128.406 -10.221 -14.633 1.00 0.00 C ATOM 1125 NZ LYS A 707 127.161 -11.029 -14.516 1.00 0.00 N1+ ATOM 1126 OXT LYS A 707 132.078 -11.927 -17.676 1.00 0.00 O ATOM 0 H LYS A 707 134.011 -10.878 -14.139 1.00 0.00 H new ATOM 0 HA LYS A 707 132.148 -11.575 -15.125 1.00 0.00 H new ATOM 0 HB2 LYS A 707 131.409 -9.224 -14.703 1.00 0.00 H new ATOM 0 HB3 LYS A 707 132.005 -8.764 -16.285 1.00 0.00 H new ATOM 0 HG2 LYS A 707 129.643 -9.079 -16.498 1.00 0.00 H new ATOM 0 HG3 LYS A 707 130.407 -10.432 -17.307 1.00 0.00 H new ATOM 0 HD2 LYS A 707 129.011 -11.712 -16.055 1.00 0.00 H new ATOM 0 HD3 LYS A 707 130.168 -11.442 -14.767 1.00 0.00 H new ATOM 0 HE2 LYS A 707 128.791 -10.001 -13.637 1.00 0.00 H new ATOM 0 HE3 LYS A 707 128.176 -9.265 -15.104 1.00 0.00 H new ATOM 0 HZ1 LYS A 707 126.458 -10.504 -13.958 1.00 0.00 H new ATOM 0 HZ2 LYS A 707 126.779 -11.218 -15.465 1.00 0.00 H new ATOM 0 HZ3 LYS A 707 127.375 -11.930 -14.044 1.00 0.00 H new TER 1140 LYS A 707