USER MOD reduce.3.24.130724 H: found=0, std=0, add=681, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 684 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 58 THR OG1 : rot -164:sc= -0.386 USER MOD Set 1.2: A 80 LYS NZ :NH3+ 176:sc= 1.01 (180deg=-0.184) USER MOD Set 2.1: A 51 HIS : no HD1:sc= -0.0277 X(o=-0.028,f=-0.0051) USER MOD Set 2.2: A 52 THR OG1 : rot 180:sc= 0 USER MOD Set 3.1: A 45 THR OG1 : rot 34:sc= 0.0609 USER MOD Set 3.2: A 47 GLN : amide:sc= -0.315 K(o=-0.25,f=-3!) USER MOD Single : A 43 MET CE :methyl 168:sc=-0.00885 (180deg=-0.196) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 THR OG1 : rot 64:sc= 0.189 USER MOD Single : A 66 MET CE :methyl -144:sc=-0.00608 (180deg=-1.83!) USER MOD Single : A 82 ASN : amide:sc= -0.0547 K(o=-0.055,f=-3.1!) USER MOD Single : A 83 THR OG1 : rot -29:sc= 0.131 USER MOD Single : A 84 SER OG : rot -36:sc= 0.0756 USER MOD Single : A 85 LYS NZ :NH3+ 149:sc= -1.27 (180deg=-2.81!) USER MOD Single : A 86 THR OG1 : rot 23:sc= 0.16 USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0171) USER MOD Single : A 98 THR OG1 : rot 180:sc= 0.0195 USER MOD Single : A 100 LYS NZ :NH3+ -145:sc= 0.662 (180deg=-2.95!) USER MOD Single : A 117 THR OG1 : rot 28:sc= 0.298 USER MOD Single : A 119 LYS NZ :NH3+ -130:sc= 0.458 (180deg=0.119) USER MOD Single : A 122 THR OG1 : rot 122:sc= -1.34! USER MOD Single : A 124 MET CE :methyl 138:sc= -0.404 (180deg=-1.51) USER MOD Single : A 125 THR OG1 : rot 150:sc= 0 USER MOD Single : A 126 LYS NZ :NH3+ 151:sc=-0.00502 (180deg=-0.748) USER MOD Single : A 127 CYS SG : rot -37:sc= 0.162 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 43 -19.868 10.032 29.217 1.00 0.00 N ATOM 2 CA MET A 43 -20.874 9.519 28.264 1.00 0.00 C ATOM 3 C MET A 43 -20.313 9.594 26.826 1.00 0.00 C ATOM 4 O MET A 43 -19.843 10.654 26.388 1.00 0.00 O ATOM 5 CB MET A 43 -22.221 10.293 28.420 1.00 0.00 C ATOM 6 CG MET A 43 -22.154 11.805 28.146 1.00 0.00 C ATOM 7 SD MET A 43 -23.741 12.644 28.363 1.00 0.00 S ATOM 8 CE MET A 43 -24.024 12.495 30.134 1.00 0.00 C ATOM 0 HA MET A 43 -21.087 8.472 28.482 1.00 0.00 H new ATOM 0 HB2 MET A 43 -22.953 9.852 27.744 1.00 0.00 H new ATOM 0 HB3 MET A 43 -22.591 10.142 29.434 1.00 0.00 H new ATOM 0 HG2 MET A 43 -21.419 12.256 28.813 1.00 0.00 H new ATOM 0 HG3 MET A 43 -21.802 11.967 27.127 1.00 0.00 H new ATOM 0 HE1 MET A 43 -24.848 13.146 30.427 1.00 0.00 H new ATOM 0 HE2 MET A 43 -24.274 11.462 30.377 1.00 0.00 H new ATOM 0 HE3 MET A 43 -23.122 12.786 30.672 1.00 0.00 H new ATOM 20 N ALA A 44 -20.313 8.450 26.115 1.00 0.00 N ATOM 21 CA ALA A 44 -19.741 8.342 24.758 1.00 0.00 C ATOM 22 C ALA A 44 -20.844 8.503 23.699 1.00 0.00 C ATOM 23 O ALA A 44 -21.744 7.661 23.601 1.00 0.00 O ATOM 24 CB ALA A 44 -19.006 6.999 24.590 1.00 0.00 C ATOM 0 H ALA A 44 -20.708 7.577 26.464 1.00 0.00 H new ATOM 0 HA ALA A 44 -19.016 9.144 24.618 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -18.590 6.935 23.584 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -18.200 6.931 25.321 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -19.707 6.179 24.746 1.00 0.00 H new ATOM 30 N THR A 45 -20.774 9.600 22.930 1.00 0.00 N ATOM 31 CA THR A 45 -21.710 9.890 21.839 1.00 0.00 C ATOM 32 C THR A 45 -21.468 8.924 20.644 1.00 0.00 C ATOM 33 O THR A 45 -20.311 8.769 20.217 1.00 0.00 O ATOM 34 CB THR A 45 -21.551 11.379 21.375 1.00 0.00 C ATOM 35 OG1 THR A 45 -20.179 11.646 21.050 1.00 0.00 O ATOM 36 CG2 THR A 45 -22.011 12.374 22.460 1.00 0.00 C ATOM 0 H THR A 45 -20.058 10.316 23.051 1.00 0.00 H new ATOM 0 HA THR A 45 -22.727 9.741 22.203 1.00 0.00 H new ATOM 0 HB THR A 45 -22.183 11.514 20.497 1.00 0.00 H new ATOM 0 HG1 THR A 45 -19.770 10.841 20.669 1.00 0.00 H new ATOM 0 HG21 THR A 45 -21.883 13.394 22.096 1.00 0.00 H new ATOM 0 HG22 THR A 45 -23.062 12.200 22.691 1.00 0.00 H new ATOM 0 HG23 THR A 45 -21.413 12.233 23.360 1.00 0.00 H new ATOM 44 N PRO A 46 -22.539 8.217 20.135 1.00 0.00 N ATOM 45 CA PRO A 46 -22.436 7.326 18.946 1.00 0.00 C ATOM 46 C PRO A 46 -21.953 8.077 17.685 1.00 0.00 C ATOM 47 O PRO A 46 -22.735 8.762 17.016 1.00 0.00 O ATOM 48 CB PRO A 46 -23.881 6.777 18.772 1.00 0.00 C ATOM 49 CG PRO A 46 -24.507 6.929 20.121 1.00 0.00 C ATOM 50 CD PRO A 46 -23.919 8.199 20.692 1.00 0.00 C ATOM 0 HA PRO A 46 -21.697 6.537 19.086 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -24.430 7.337 18.015 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -23.873 5.735 18.454 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -25.592 6.997 20.046 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -24.285 6.072 20.757 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -24.487 9.078 20.388 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -23.913 8.185 21.782 1.00 0.00 H new ATOM 58 N GLN A 47 -20.639 7.971 17.410 1.00 0.00 N ATOM 59 CA GLN A 47 -19.962 8.663 16.292 1.00 0.00 C ATOM 60 C GLN A 47 -19.063 7.685 15.519 1.00 0.00 C ATOM 61 O GLN A 47 -18.491 6.761 16.107 1.00 0.00 O ATOM 62 CB GLN A 47 -19.095 9.840 16.825 1.00 0.00 C ATOM 63 CG GLN A 47 -19.885 10.987 17.475 1.00 0.00 C ATOM 64 CD GLN A 47 -18.986 12.079 18.062 1.00 0.00 C ATOM 65 OE1 GLN A 47 -17.877 11.813 18.526 1.00 0.00 O ATOM 66 NE2 GLN A 47 -19.451 13.314 18.053 1.00 0.00 N ATOM 0 H GLN A 47 -20.007 7.394 17.965 1.00 0.00 H new ATOM 0 HA GLN A 47 -20.730 9.053 15.624 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -18.386 9.448 17.555 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -18.511 10.244 15.998 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -20.547 11.431 16.732 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -20.518 10.582 18.265 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -20.373 13.509 17.663 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -18.888 14.074 18.436 1.00 0.00 H new ATOM 75 N ASP A 48 -18.956 7.904 14.203 1.00 0.00 N ATOM 76 CA ASP A 48 -17.976 7.229 13.340 1.00 0.00 C ATOM 77 C ASP A 48 -16.654 8.008 13.429 1.00 0.00 C ATOM 78 O ASP A 48 -16.462 9.012 12.727 1.00 0.00 O ATOM 79 CB ASP A 48 -18.481 7.169 11.872 1.00 0.00 C ATOM 80 CG ASP A 48 -19.815 6.423 11.730 1.00 0.00 C ATOM 81 OD1 ASP A 48 -20.881 7.044 11.933 1.00 0.00 O ATOM 82 OD2 ASP A 48 -19.801 5.205 11.451 1.00 0.00 O ATOM 0 H ASP A 48 -19.553 8.561 13.701 1.00 0.00 H new ATOM 0 HA ASP A 48 -17.830 6.201 13.672 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -18.595 8.184 11.491 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -17.729 6.679 11.254 1.00 0.00 H new ATOM 87 N LYS A 49 -15.768 7.562 14.327 1.00 0.00 N ATOM 88 CA LYS A 49 -14.512 8.276 14.641 1.00 0.00 C ATOM 89 C LYS A 49 -13.332 7.788 13.781 1.00 0.00 C ATOM 90 O LYS A 49 -12.182 8.177 14.032 1.00 0.00 O ATOM 91 CB LYS A 49 -14.194 8.138 16.150 1.00 0.00 C ATOM 92 CG LYS A 49 -15.297 8.716 17.065 1.00 0.00 C ATOM 93 CD LYS A 49 -14.927 8.646 18.557 1.00 0.00 C ATOM 94 CE LYS A 49 -16.059 9.138 19.473 1.00 0.00 C ATOM 95 NZ LYS A 49 -15.690 9.034 20.905 1.00 0.00 N ATOM 0 H LYS A 49 -15.895 6.700 14.858 1.00 0.00 H new ATOM 0 HA LYS A 49 -14.657 9.329 14.400 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -14.050 7.084 16.388 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -13.253 8.645 16.363 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -15.485 9.754 16.790 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -16.225 8.169 16.899 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -14.676 7.618 18.817 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -14.035 9.246 18.734 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -16.297 10.174 19.233 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -16.959 8.553 19.286 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -16.478 9.375 21.492 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -15.487 8.041 21.140 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -14.846 9.613 21.089 1.00 0.00 H new ATOM 109 N LEU A 50 -13.626 6.945 12.770 1.00 0.00 N ATOM 110 CA LEU A 50 -12.642 6.512 11.766 1.00 0.00 C ATOM 111 C LEU A 50 -12.373 7.671 10.782 1.00 0.00 C ATOM 112 O LEU A 50 -12.932 7.728 9.677 1.00 0.00 O ATOM 113 CB LEU A 50 -13.130 5.234 11.020 1.00 0.00 C ATOM 114 CG LEU A 50 -13.319 3.952 11.893 1.00 0.00 C ATOM 115 CD1 LEU A 50 -13.909 2.791 11.058 1.00 0.00 C ATOM 116 CD2 LEU A 50 -11.991 3.533 12.579 1.00 0.00 C ATOM 0 H LEU A 50 -14.555 6.547 12.630 1.00 0.00 H new ATOM 0 HA LEU A 50 -11.709 6.252 12.267 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -14.080 5.462 10.537 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -12.416 5.007 10.228 1.00 0.00 H new ATOM 0 HG LEU A 50 -14.033 4.192 12.681 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -14.030 1.912 11.691 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -14.879 3.086 10.659 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -13.234 2.555 10.235 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -12.158 2.638 13.178 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -11.238 3.325 11.818 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -11.643 4.341 13.223 1.00 0.00 H new ATOM 128 N HIS A 51 -11.565 8.634 11.251 1.00 0.00 N ATOM 129 CA HIS A 51 -11.086 9.775 10.446 1.00 0.00 C ATOM 130 C HIS A 51 -9.908 9.330 9.558 1.00 0.00 C ATOM 131 O HIS A 51 -9.476 10.058 8.665 1.00 0.00 O ATOM 132 CB HIS A 51 -10.674 10.944 11.372 1.00 0.00 C ATOM 133 CG HIS A 51 -9.540 10.650 12.328 1.00 0.00 C ATOM 134 ND1 HIS A 51 -9.736 10.213 13.615 1.00 0.00 N ATOM 135 CD2 HIS A 51 -8.194 10.754 12.174 1.00 0.00 C ATOM 136 CE1 HIS A 51 -8.570 10.068 14.213 1.00 0.00 C ATOM 137 NE2 HIS A 51 -7.621 10.396 13.361 1.00 0.00 N ATOM 0 H HIS A 51 -11.220 8.645 12.211 1.00 0.00 H new ATOM 0 HA HIS A 51 -11.891 10.124 9.799 1.00 0.00 H new ATOM 0 HB2 HIS A 51 -10.391 11.794 10.751 1.00 0.00 H new ATOM 0 HB3 HIS A 51 -11.545 11.249 11.952 1.00 0.00 H new ATOM 0 HD2 HIS A 51 -7.674 11.062 11.279 1.00 0.00 H new ATOM 0 HE1 HIS A 51 -8.419 9.736 15.230 1.00 0.00 H new ATOM 0 HE2 HIS A 51 -6.620 10.385 13.556 1.00 0.00 H new ATOM 146 N THR A 52 -9.366 8.155 9.887 1.00 0.00 N ATOM 147 CA THR A 52 -8.391 7.429 9.083 1.00 0.00 C ATOM 148 C THR A 52 -8.948 6.023 8.832 1.00 0.00 C ATOM 149 O THR A 52 -9.619 5.450 9.707 1.00 0.00 O ATOM 150 CB THR A 52 -7.015 7.362 9.821 1.00 0.00 C ATOM 151 OG1 THR A 52 -6.611 8.699 10.155 1.00 0.00 O ATOM 152 CG2 THR A 52 -5.917 6.692 8.969 1.00 0.00 C ATOM 0 H THR A 52 -9.605 7.669 10.752 1.00 0.00 H new ATOM 0 HA THR A 52 -8.223 7.939 8.134 1.00 0.00 H new ATOM 0 HB THR A 52 -7.142 6.752 10.716 1.00 0.00 H new ATOM 0 HG1 THR A 52 -5.749 8.674 10.621 1.00 0.00 H new ATOM 0 HG21 THR A 52 -4.983 6.672 9.530 1.00 0.00 H new ATOM 0 HG22 THR A 52 -6.216 5.672 8.726 1.00 0.00 H new ATOM 0 HG23 THR A 52 -5.775 7.258 8.048 1.00 0.00 H new ATOM 160 N VAL A 53 -8.693 5.478 7.638 1.00 0.00 N ATOM 161 CA VAL A 53 -9.180 4.155 7.234 1.00 0.00 C ATOM 162 C VAL A 53 -7.967 3.237 7.029 1.00 0.00 C ATOM 163 O VAL A 53 -6.979 3.648 6.421 1.00 0.00 O ATOM 164 CB VAL A 53 -10.035 4.230 5.913 1.00 0.00 C ATOM 165 CG1 VAL A 53 -10.637 2.853 5.548 1.00 0.00 C ATOM 166 CG2 VAL A 53 -11.141 5.313 6.021 1.00 0.00 C ATOM 0 H VAL A 53 -8.139 5.945 6.920 1.00 0.00 H new ATOM 0 HA VAL A 53 -9.830 3.761 8.015 1.00 0.00 H new ATOM 0 HB VAL A 53 -9.363 4.519 5.105 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -11.220 2.942 4.632 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -9.833 2.133 5.397 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -11.283 2.512 6.357 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -11.714 5.341 5.094 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -11.805 5.073 6.851 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -10.682 6.286 6.193 1.00 0.00 H new ATOM 176 N ARG A 54 -8.027 2.028 7.591 1.00 0.00 N ATOM 177 CA ARG A 54 -7.020 0.979 7.363 1.00 0.00 C ATOM 178 C ARG A 54 -7.533 -0.031 6.329 1.00 0.00 C ATOM 179 O ARG A 54 -8.732 -0.317 6.271 1.00 0.00 O ATOM 180 CB ARG A 54 -6.678 0.260 8.691 1.00 0.00 C ATOM 181 CG ARG A 54 -5.732 1.043 9.617 1.00 0.00 C ATOM 182 CD ARG A 54 -5.553 0.371 10.988 1.00 0.00 C ATOM 183 NE ARG A 54 -4.483 0.997 11.787 1.00 0.00 N ATOM 184 CZ ARG A 54 -4.081 0.588 13.004 1.00 0.00 C ATOM 185 NH1 ARG A 54 -4.702 -0.398 13.641 1.00 0.00 N ATOM 186 NH2 ARG A 54 -3.044 1.178 13.575 1.00 0.00 N ATOM 0 H ARG A 54 -8.777 1.744 8.221 1.00 0.00 H new ATOM 0 HA ARG A 54 -6.113 1.445 6.978 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -7.605 0.056 9.228 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -6.224 -0.704 8.461 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -4.759 1.142 9.136 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -6.121 2.051 9.759 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -6.492 0.422 11.540 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -5.325 -0.685 10.845 1.00 0.00 H new ATOM 0 HE ARG A 54 -4.009 1.806 11.384 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -5.501 -0.861 13.208 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -4.380 -0.692 14.563 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -2.558 1.934 13.093 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -2.730 0.877 14.497 1.00 0.00 H new ATOM 200 N LEU A 55 -6.612 -0.569 5.526 1.00 0.00 N ATOM 201 CA LEU A 55 -6.898 -1.666 4.584 1.00 0.00 C ATOM 202 C LEU A 55 -5.765 -2.694 4.754 1.00 0.00 C ATOM 203 O LEU A 55 -4.580 -2.338 4.703 1.00 0.00 O ATOM 204 CB LEU A 55 -7.002 -1.121 3.116 1.00 0.00 C ATOM 205 CG LEU A 55 -7.970 -1.864 2.125 1.00 0.00 C ATOM 206 CD1 LEU A 55 -7.977 -1.179 0.738 1.00 0.00 C ATOM 207 CD2 LEU A 55 -7.660 -3.378 1.985 1.00 0.00 C ATOM 0 H LEU A 55 -5.641 -0.258 5.507 1.00 0.00 H new ATOM 0 HA LEU A 55 -7.859 -2.137 4.791 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -7.312 -0.077 3.167 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -6.002 -1.136 2.682 1.00 0.00 H new ATOM 0 HG LEU A 55 -8.966 -1.790 2.563 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -8.655 -1.713 0.072 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -8.311 -0.147 0.844 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -6.971 -1.194 0.320 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -8.364 -3.831 1.287 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -6.644 -3.508 1.611 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -7.753 -3.860 2.958 1.00 0.00 H new ATOM 219 N PHE A 56 -6.140 -3.956 5.000 1.00 0.00 N ATOM 220 CA PHE A 56 -5.194 -5.044 5.292 1.00 0.00 C ATOM 221 C PHE A 56 -5.284 -6.079 4.162 1.00 0.00 C ATOM 222 O PHE A 56 -6.295 -6.778 4.054 1.00 0.00 O ATOM 223 CB PHE A 56 -5.539 -5.729 6.655 1.00 0.00 C ATOM 224 CG PHE A 56 -6.173 -4.815 7.704 1.00 0.00 C ATOM 225 CD1 PHE A 56 -5.399 -3.957 8.472 1.00 0.00 C ATOM 226 CD2 PHE A 56 -7.552 -4.834 7.928 1.00 0.00 C ATOM 227 CE1 PHE A 56 -5.976 -3.148 9.424 1.00 0.00 C ATOM 228 CE2 PHE A 56 -8.127 -4.022 8.878 1.00 0.00 C ATOM 229 CZ PHE A 56 -7.339 -3.180 9.628 1.00 0.00 C ATOM 0 H PHE A 56 -7.115 -4.254 5.002 1.00 0.00 H new ATOM 0 HA PHE A 56 -4.185 -4.637 5.361 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -6.218 -6.560 6.463 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -4.625 -6.153 7.071 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -4.330 -3.924 8.321 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -8.176 -5.496 7.346 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -5.359 -2.486 10.013 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -9.195 -4.046 9.035 1.00 0.00 H new ATOM 0 HZ PHE A 56 -7.788 -2.544 10.377 1.00 0.00 H new ATOM 239 N GLY A 57 -4.257 -6.152 3.315 1.00 0.00 N ATOM 240 CA GLY A 57 -4.196 -7.157 2.244 1.00 0.00 C ATOM 241 C GLY A 57 -2.771 -7.592 1.968 1.00 0.00 C ATOM 242 O GLY A 57 -1.913 -7.505 2.856 1.00 0.00 O ATOM 0 H GLY A 57 -3.452 -5.527 3.347 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -4.794 -8.024 2.524 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -4.635 -6.747 1.334 1.00 0.00 H new ATOM 246 N THR A 58 -2.508 -8.013 0.724 1.00 0.00 N ATOM 247 CA THR A 58 -1.171 -8.463 0.277 1.00 0.00 C ATOM 248 C THR A 58 -0.739 -7.662 -0.967 1.00 0.00 C ATOM 249 O THR A 58 -1.577 -7.280 -1.799 1.00 0.00 O ATOM 250 CB THR A 58 -1.171 -9.994 -0.028 1.00 0.00 C ATOM 251 OG1 THR A 58 -1.627 -10.695 1.131 1.00 0.00 O ATOM 252 CG2 THR A 58 0.219 -10.537 -0.428 1.00 0.00 C ATOM 0 H THR A 58 -3.216 -8.054 -0.009 1.00 0.00 H new ATOM 0 HA THR A 58 -0.456 -8.283 1.080 1.00 0.00 H new ATOM 0 HB THR A 58 -1.833 -10.152 -0.880 1.00 0.00 H new ATOM 0 HG1 THR A 58 -1.397 -11.644 1.051 1.00 0.00 H new ATOM 0 HG21 THR A 58 0.149 -11.607 -0.626 1.00 0.00 H new ATOM 0 HG22 THR A 58 0.566 -10.024 -1.325 1.00 0.00 H new ATOM 0 HG23 THR A 58 0.925 -10.364 0.385 1.00 0.00 H new ATOM 260 N VAL A 59 0.575 -7.420 -1.066 1.00 0.00 N ATOM 261 CA VAL A 59 1.192 -6.683 -2.173 1.00 0.00 C ATOM 262 C VAL A 59 1.409 -7.639 -3.352 1.00 0.00 C ATOM 263 O VAL A 59 2.102 -8.663 -3.206 1.00 0.00 O ATOM 264 CB VAL A 59 2.576 -6.052 -1.750 1.00 0.00 C ATOM 265 CG1 VAL A 59 3.197 -5.209 -2.894 1.00 0.00 C ATOM 266 CG2 VAL A 59 2.428 -5.220 -0.460 1.00 0.00 C ATOM 0 H VAL A 59 1.248 -7.736 -0.368 1.00 0.00 H new ATOM 0 HA VAL A 59 0.524 -5.870 -2.457 1.00 0.00 H new ATOM 0 HB VAL A 59 3.263 -6.873 -1.547 1.00 0.00 H new ATOM 0 HG11 VAL A 59 4.148 -4.792 -2.564 1.00 0.00 H new ATOM 0 HG12 VAL A 59 3.362 -5.843 -3.765 1.00 0.00 H new ATOM 0 HG13 VAL A 59 2.518 -4.399 -3.159 1.00 0.00 H new ATOM 0 HG21 VAL A 59 3.394 -4.795 -0.188 1.00 0.00 H new ATOM 0 HG22 VAL A 59 1.712 -4.415 -0.626 1.00 0.00 H new ATOM 0 HG23 VAL A 59 2.073 -5.861 0.347 1.00 0.00 H new ATOM 276 N ALA A 60 0.785 -7.315 -4.493 1.00 0.00 N ATOM 277 CA ALA A 60 0.976 -8.062 -5.743 1.00 0.00 C ATOM 278 C ALA A 60 2.368 -7.789 -6.342 1.00 0.00 C ATOM 279 O ALA A 60 2.942 -6.707 -6.147 1.00 0.00 O ATOM 280 CB ALA A 60 -0.120 -7.712 -6.761 1.00 0.00 C ATOM 0 H ALA A 60 0.137 -6.532 -4.575 1.00 0.00 H new ATOM 0 HA ALA A 60 0.906 -9.124 -5.510 1.00 0.00 H new ATOM 0 HB1 ALA A 60 0.042 -8.277 -7.679 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -1.096 -7.965 -6.346 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -0.085 -6.645 -6.981 1.00 0.00 H new ATOM 286 N ALA A 61 2.892 -8.783 -7.069 1.00 0.00 N ATOM 287 CA ALA A 61 4.129 -8.653 -7.855 1.00 0.00 C ATOM 288 C ALA A 61 3.842 -7.915 -9.172 1.00 0.00 C ATOM 289 O ALA A 61 4.647 -7.104 -9.647 1.00 0.00 O ATOM 290 CB ALA A 61 4.722 -10.047 -8.123 1.00 0.00 C ATOM 0 H ALA A 61 2.467 -9.708 -7.130 1.00 0.00 H new ATOM 0 HA ALA A 61 4.857 -8.070 -7.291 1.00 0.00 H new ATOM 0 HB1 ALA A 61 5.638 -9.947 -8.705 1.00 0.00 H new ATOM 0 HB2 ALA A 61 4.946 -10.535 -7.175 1.00 0.00 H new ATOM 0 HB3 ALA A 61 4.002 -10.648 -8.679 1.00 0.00 H new ATOM 296 N ASP A 62 2.652 -8.175 -9.724 1.00 0.00 N ATOM 297 CA ASP A 62 2.210 -7.608 -10.997 1.00 0.00 C ATOM 298 C ASP A 62 1.424 -6.316 -10.720 1.00 0.00 C ATOM 299 O ASP A 62 0.359 -6.347 -10.089 1.00 0.00 O ATOM 300 CB ASP A 62 1.343 -8.637 -11.766 1.00 0.00 C ATOM 301 CG ASP A 62 0.853 -8.125 -13.133 1.00 0.00 C ATOM 302 OD1 ASP A 62 1.668 -8.052 -14.075 1.00 0.00 O ATOM 303 OD2 ASP A 62 -0.335 -7.777 -13.267 1.00 0.00 O ATOM 0 H ASP A 62 1.963 -8.792 -9.293 1.00 0.00 H new ATOM 0 HA ASP A 62 3.073 -7.371 -11.620 1.00 0.00 H new ATOM 0 HB2 ASP A 62 1.921 -9.549 -11.914 1.00 0.00 H new ATOM 0 HB3 ASP A 62 0.480 -8.902 -11.155 1.00 0.00 H new ATOM 308 N GLY A 63 1.996 -5.188 -11.163 1.00 0.00 N ATOM 309 CA GLY A 63 1.395 -3.858 -10.994 1.00 0.00 C ATOM 310 C GLY A 63 2.050 -3.039 -9.890 1.00 0.00 C ATOM 311 O GLY A 63 1.657 -1.890 -9.653 1.00 0.00 O ATOM 0 H GLY A 63 2.892 -5.172 -11.650 1.00 0.00 H new ATOM 0 HA2 GLY A 63 1.467 -3.312 -11.934 1.00 0.00 H new ATOM 0 HA3 GLY A 63 0.334 -3.972 -10.772 1.00 0.00 H new ATOM 315 N LEU A 64 3.054 -3.628 -9.209 1.00 0.00 N ATOM 316 CA LEU A 64 3.870 -2.899 -8.224 1.00 0.00 C ATOM 317 C LEU A 64 4.733 -1.881 -8.995 1.00 0.00 C ATOM 318 O LEU A 64 5.649 -2.256 -9.742 1.00 0.00 O ATOM 319 CB LEU A 64 4.729 -3.883 -7.371 1.00 0.00 C ATOM 320 CG LEU A 64 5.316 -3.345 -6.005 1.00 0.00 C ATOM 321 CD1 LEU A 64 5.883 -4.505 -5.160 1.00 0.00 C ATOM 322 CD2 LEU A 64 6.406 -2.257 -6.192 1.00 0.00 C ATOM 0 H LEU A 64 3.317 -4.607 -9.325 1.00 0.00 H new ATOM 0 HA LEU A 64 3.236 -2.368 -7.514 1.00 0.00 H new ATOM 0 HB2 LEU A 64 4.119 -4.759 -7.153 1.00 0.00 H new ATOM 0 HB3 LEU A 64 5.563 -4.221 -7.986 1.00 0.00 H new ATOM 0 HG LEU A 64 4.481 -2.878 -5.483 1.00 0.00 H new ATOM 0 HD11 LEU A 64 6.282 -4.113 -4.225 1.00 0.00 H new ATOM 0 HD12 LEU A 64 5.089 -5.220 -4.944 1.00 0.00 H new ATOM 0 HD13 LEU A 64 6.679 -5.003 -5.713 1.00 0.00 H new ATOM 0 HD21 LEU A 64 6.766 -1.931 -5.216 1.00 0.00 H new ATOM 0 HD22 LEU A 64 7.236 -2.668 -6.766 1.00 0.00 H new ATOM 0 HD23 LEU A 64 5.983 -1.406 -6.725 1.00 0.00 H new ATOM 334 N THR A 65 4.382 -0.604 -8.834 1.00 0.00 N ATOM 335 CA THR A 65 5.012 0.517 -9.533 1.00 0.00 C ATOM 336 C THR A 65 5.584 1.490 -8.495 1.00 0.00 C ATOM 337 O THR A 65 4.877 1.885 -7.577 1.00 0.00 O ATOM 338 CB THR A 65 3.958 1.271 -10.420 1.00 0.00 C ATOM 339 OG1 THR A 65 3.147 0.318 -11.123 1.00 0.00 O ATOM 340 CG2 THR A 65 4.627 2.226 -11.431 1.00 0.00 C ATOM 0 H THR A 65 3.636 -0.314 -8.201 1.00 0.00 H new ATOM 0 HA THR A 65 5.806 0.137 -10.176 1.00 0.00 H new ATOM 0 HB THR A 65 3.339 1.873 -9.755 1.00 0.00 H new ATOM 0 HG1 THR A 65 2.628 -0.208 -10.479 1.00 0.00 H new ATOM 0 HG21 THR A 65 3.860 2.725 -12.022 1.00 0.00 H new ATOM 0 HG22 THR A 65 5.214 2.971 -10.894 1.00 0.00 H new ATOM 0 HG23 THR A 65 5.281 1.657 -12.092 1.00 0.00 H new ATOM 348 N MET A 66 6.859 1.863 -8.630 1.00 0.00 N ATOM 349 CA MET A 66 7.460 2.916 -7.794 1.00 0.00 C ATOM 350 C MET A 66 7.118 4.288 -8.395 1.00 0.00 C ATOM 351 O MET A 66 6.867 4.401 -9.604 1.00 0.00 O ATOM 352 CB MET A 66 8.989 2.706 -7.656 1.00 0.00 C ATOM 353 CG MET A 66 9.363 1.437 -6.881 1.00 0.00 C ATOM 354 SD MET A 66 8.701 1.450 -5.200 1.00 0.00 S ATOM 355 CE MET A 66 9.308 -0.108 -4.536 1.00 0.00 C ATOM 0 H MET A 66 7.499 1.453 -9.310 1.00 0.00 H new ATOM 0 HA MET A 66 7.047 2.867 -6.786 1.00 0.00 H new ATOM 0 HB2 MET A 66 9.433 2.659 -8.650 1.00 0.00 H new ATOM 0 HB3 MET A 66 9.423 3.571 -7.154 1.00 0.00 H new ATOM 0 HG2 MET A 66 8.986 0.563 -7.412 1.00 0.00 H new ATOM 0 HG3 MET A 66 10.448 1.342 -6.842 1.00 0.00 H new ATOM 0 HE1 MET A 66 8.558 -0.537 -3.872 1.00 0.00 H new ATOM 0 HE2 MET A 66 9.506 -0.800 -5.355 1.00 0.00 H new ATOM 0 HE3 MET A 66 10.228 0.068 -3.979 1.00 0.00 H new ATOM 365 N LEU A 67 7.112 5.333 -7.553 1.00 0.00 N ATOM 366 CA LEU A 67 6.681 6.700 -7.951 1.00 0.00 C ATOM 367 C LEU A 67 7.824 7.540 -8.576 1.00 0.00 C ATOM 368 O LEU A 67 7.825 8.768 -8.480 1.00 0.00 O ATOM 369 CB LEU A 67 6.052 7.407 -6.737 1.00 0.00 C ATOM 370 CG LEU A 67 4.723 6.776 -6.205 1.00 0.00 C ATOM 371 CD1 LEU A 67 4.140 7.585 -5.024 1.00 0.00 C ATOM 372 CD2 LEU A 67 3.692 6.594 -7.350 1.00 0.00 C ATOM 0 H LEU A 67 7.403 5.264 -6.578 1.00 0.00 H new ATOM 0 HA LEU A 67 5.935 6.601 -8.739 1.00 0.00 H new ATOM 0 HB2 LEU A 67 6.780 7.415 -5.926 1.00 0.00 H new ATOM 0 HB3 LEU A 67 5.859 8.446 -7.003 1.00 0.00 H new ATOM 0 HG LEU A 67 4.959 5.784 -5.820 1.00 0.00 H new ATOM 0 HD11 LEU A 67 3.217 7.116 -4.682 1.00 0.00 H new ATOM 0 HD12 LEU A 67 4.861 7.607 -4.207 1.00 0.00 H new ATOM 0 HD13 LEU A 67 3.930 8.604 -5.349 1.00 0.00 H new ATOM 0 HD21 LEU A 67 2.779 6.154 -6.950 1.00 0.00 H new ATOM 0 HD22 LEU A 67 3.464 7.564 -7.792 1.00 0.00 H new ATOM 0 HD23 LEU A 67 4.108 5.936 -8.113 1.00 0.00 H new ATOM 384 N ASP A 68 8.668 6.820 -9.319 1.00 0.00 N ATOM 385 CA ASP A 68 9.903 7.281 -10.015 1.00 0.00 C ATOM 386 C ASP A 68 10.579 8.521 -9.370 1.00 0.00 C ATOM 387 O ASP A 68 11.463 8.379 -8.519 1.00 0.00 O ATOM 388 CB ASP A 68 9.624 7.517 -11.525 1.00 0.00 C ATOM 389 CG ASP A 68 9.057 6.281 -12.248 1.00 0.00 C ATOM 390 OD1 ASP A 68 9.840 5.394 -12.643 1.00 0.00 O ATOM 391 OD2 ASP A 68 7.820 6.181 -12.402 1.00 0.00 O ATOM 0 H ASP A 68 8.507 5.824 -9.470 1.00 0.00 H new ATOM 0 HA ASP A 68 10.625 6.472 -9.902 1.00 0.00 H new ATOM 0 HB2 ASP A 68 8.922 8.344 -11.631 1.00 0.00 H new ATOM 0 HB3 ASP A 68 10.550 7.821 -12.014 1.00 0.00 H new ATOM 396 N GLY A 69 10.100 9.729 -9.744 1.00 0.00 N ATOM 397 CA GLY A 69 10.652 11.003 -9.251 1.00 0.00 C ATOM 398 C GLY A 69 9.958 11.506 -7.979 1.00 0.00 C ATOM 399 O GLY A 69 9.736 12.716 -7.812 1.00 0.00 O ATOM 0 H GLY A 69 9.322 9.844 -10.394 1.00 0.00 H new ATOM 0 HA2 GLY A 69 11.716 10.878 -9.052 1.00 0.00 H new ATOM 0 HA3 GLY A 69 10.560 11.758 -10.031 1.00 0.00 H new ATOM 403 N ALA A 70 9.628 10.557 -7.090 1.00 0.00 N ATOM 404 CA ALA A 70 8.955 10.810 -5.808 1.00 0.00 C ATOM 405 C ALA A 70 9.169 9.595 -4.891 1.00 0.00 C ATOM 406 O ALA A 70 9.032 8.457 -5.366 1.00 0.00 O ATOM 407 CB ALA A 70 7.449 11.075 -6.025 1.00 0.00 C ATOM 0 H ALA A 70 9.827 9.569 -7.247 1.00 0.00 H new ATOM 0 HA ALA A 70 9.380 11.698 -5.341 1.00 0.00 H new ATOM 0 HB1 ALA A 70 6.970 11.260 -5.064 1.00 0.00 H new ATOM 0 HB2 ALA A 70 7.322 11.946 -6.667 1.00 0.00 H new ATOM 0 HB3 ALA A 70 6.991 10.206 -6.497 1.00 0.00 H new ATOM 413 N PRO A 71 9.548 9.792 -3.581 1.00 0.00 N ATOM 414 CA PRO A 71 9.635 8.684 -2.604 1.00 0.00 C ATOM 415 C PRO A 71 8.231 8.103 -2.343 1.00 0.00 C ATOM 416 O PRO A 71 7.342 8.820 -1.860 1.00 0.00 O ATOM 417 CB PRO A 71 10.251 9.339 -1.329 1.00 0.00 C ATOM 418 CG PRO A 71 10.805 10.653 -1.806 1.00 0.00 C ATOM 419 CD PRO A 71 9.918 11.082 -2.953 1.00 0.00 C ATOM 0 HA PRO A 71 10.242 7.847 -2.949 1.00 0.00 H new ATOM 0 HB2 PRO A 71 9.498 9.484 -0.555 1.00 0.00 H new ATOM 0 HB3 PRO A 71 11.032 8.712 -0.900 1.00 0.00 H new ATOM 0 HG2 PRO A 71 10.797 11.394 -1.007 1.00 0.00 H new ATOM 0 HG3 PRO A 71 11.840 10.546 -2.131 1.00 0.00 H new ATOM 0 HD2 PRO A 71 9.042 11.628 -2.604 1.00 0.00 H new ATOM 0 HD3 PRO A 71 10.444 11.735 -3.649 1.00 0.00 H new ATOM 427 N GLY A 72 8.033 6.831 -2.720 1.00 0.00 N ATOM 428 CA GLY A 72 6.746 6.159 -2.565 1.00 0.00 C ATOM 429 C GLY A 72 6.552 5.016 -3.547 1.00 0.00 C ATOM 430 O GLY A 72 7.464 4.682 -4.318 1.00 0.00 O ATOM 0 H GLY A 72 8.758 6.248 -3.137 1.00 0.00 H new ATOM 0 HA2 GLY A 72 6.663 5.775 -1.548 1.00 0.00 H new ATOM 0 HA3 GLY A 72 5.944 6.886 -2.698 1.00 0.00 H new ATOM 434 N VAL A 73 5.343 4.441 -3.527 1.00 0.00 N ATOM 435 CA VAL A 73 4.971 3.292 -4.352 1.00 0.00 C ATOM 436 C VAL A 73 3.441 3.279 -4.585 1.00 0.00 C ATOM 437 O VAL A 73 2.659 3.523 -3.657 1.00 0.00 O ATOM 438 CB VAL A 73 5.438 1.939 -3.681 1.00 0.00 C ATOM 439 CG1 VAL A 73 4.876 1.772 -2.241 1.00 0.00 C ATOM 440 CG2 VAL A 73 5.093 0.720 -4.568 1.00 0.00 C ATOM 0 H VAL A 73 4.586 4.769 -2.927 1.00 0.00 H new ATOM 0 HA VAL A 73 5.475 3.382 -5.314 1.00 0.00 H new ATOM 0 HB VAL A 73 6.523 1.988 -3.592 1.00 0.00 H new ATOM 0 HG11 VAL A 73 5.224 0.828 -1.822 1.00 0.00 H new ATOM 0 HG12 VAL A 73 5.223 2.596 -1.617 1.00 0.00 H new ATOM 0 HG13 VAL A 73 3.786 1.775 -2.273 1.00 0.00 H new ATOM 0 HG21 VAL A 73 5.428 -0.194 -4.077 1.00 0.00 H new ATOM 0 HG22 VAL A 73 4.015 0.675 -4.722 1.00 0.00 H new ATOM 0 HG23 VAL A 73 5.593 0.818 -5.532 1.00 0.00 H new ATOM 450 N ARG A 74 3.026 3.061 -5.845 1.00 0.00 N ATOM 451 CA ARG A 74 1.639 2.722 -6.193 1.00 0.00 C ATOM 452 C ARG A 74 1.571 1.233 -6.570 1.00 0.00 C ATOM 453 O ARG A 74 2.246 0.789 -7.494 1.00 0.00 O ATOM 454 CB ARG A 74 1.102 3.612 -7.343 1.00 0.00 C ATOM 455 CG ARG A 74 -0.387 3.362 -7.683 1.00 0.00 C ATOM 456 CD ARG A 74 -0.892 4.225 -8.846 1.00 0.00 C ATOM 457 NE ARG A 74 -0.831 5.673 -8.545 1.00 0.00 N ATOM 458 CZ ARG A 74 -0.201 6.597 -9.292 1.00 0.00 C ATOM 459 NH1 ARG A 74 0.502 6.252 -10.365 1.00 0.00 N ATOM 460 NH2 ARG A 74 -0.272 7.873 -8.950 1.00 0.00 N ATOM 0 H ARG A 74 3.647 3.116 -6.652 1.00 0.00 H new ATOM 0 HA ARG A 74 1.002 2.910 -5.329 1.00 0.00 H new ATOM 0 HB2 ARG A 74 1.232 4.659 -7.070 1.00 0.00 H new ATOM 0 HB3 ARG A 74 1.703 3.438 -8.236 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -0.525 2.310 -7.933 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -0.994 3.562 -6.800 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -0.296 4.016 -9.735 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -1.920 3.949 -9.080 1.00 0.00 H new ATOM 0 HE ARG A 74 -1.306 5.996 -7.702 1.00 0.00 H new ATOM 0 HH11 ARG A 74 0.571 5.271 -10.636 1.00 0.00 H new ATOM 0 HH12 ARG A 74 0.972 6.968 -10.918 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -0.802 8.151 -8.124 1.00 0.00 H new ATOM 0 HH22 ARG A 74 0.203 8.579 -9.512 1.00 0.00 H new ATOM 474 N PHE A 75 0.708 0.498 -5.887 1.00 0.00 N ATOM 475 CA PHE A 75 0.632 -0.971 -5.979 1.00 0.00 C ATOM 476 C PHE A 75 -0.815 -1.382 -5.735 1.00 0.00 C ATOM 477 O PHE A 75 -1.583 -0.614 -5.147 1.00 0.00 O ATOM 478 CB PHE A 75 1.587 -1.643 -4.941 1.00 0.00 C ATOM 479 CG PHE A 75 1.231 -1.360 -3.472 1.00 0.00 C ATOM 480 CD1 PHE A 75 1.568 -0.144 -2.874 1.00 0.00 C ATOM 481 CD2 PHE A 75 0.545 -2.305 -2.699 1.00 0.00 C ATOM 482 CE1 PHE A 75 1.235 0.115 -1.558 1.00 0.00 C ATOM 483 CE2 PHE A 75 0.208 -2.040 -1.389 1.00 0.00 C ATOM 484 CZ PHE A 75 0.553 -0.834 -0.815 1.00 0.00 C ATOM 0 H PHE A 75 0.027 0.900 -5.242 1.00 0.00 H new ATOM 0 HA PHE A 75 0.951 -1.302 -6.967 1.00 0.00 H new ATOM 0 HB2 PHE A 75 1.578 -2.721 -5.103 1.00 0.00 H new ATOM 0 HB3 PHE A 75 2.605 -1.301 -5.128 1.00 0.00 H new ATOM 0 HD1 PHE A 75 2.096 0.604 -3.447 1.00 0.00 H new ATOM 0 HD2 PHE A 75 0.276 -3.255 -3.136 1.00 0.00 H new ATOM 0 HE1 PHE A 75 1.507 1.059 -1.108 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -0.327 -2.778 -0.811 1.00 0.00 H new ATOM 0 HZ PHE A 75 0.291 -0.630 0.213 1.00 0.00 H new ATOM 494 N ARG A 76 -1.198 -2.598 -6.149 1.00 0.00 N ATOM 495 CA ARG A 76 -2.563 -3.078 -5.911 1.00 0.00 C ATOM 496 C ARG A 76 -2.551 -3.946 -4.630 1.00 0.00 C ATOM 497 O ARG A 76 -1.884 -4.992 -4.563 1.00 0.00 O ATOM 498 CB ARG A 76 -3.158 -3.821 -7.146 1.00 0.00 C ATOM 499 CG ARG A 76 -2.560 -5.203 -7.472 1.00 0.00 C ATOM 500 CD ARG A 76 -3.262 -5.914 -8.654 1.00 0.00 C ATOM 501 NE ARG A 76 -3.235 -7.380 -8.494 1.00 0.00 N ATOM 502 CZ ARG A 76 -3.605 -8.270 -9.419 1.00 0.00 C ATOM 503 NH1 ARG A 76 -3.902 -7.886 -10.655 1.00 0.00 N ATOM 504 NH2 ARG A 76 -3.640 -9.546 -9.117 1.00 0.00 N ATOM 0 H ARG A 76 -0.593 -3.255 -6.641 1.00 0.00 H new ATOM 0 HA ARG A 76 -3.229 -2.229 -5.760 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -4.230 -3.942 -6.987 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -3.035 -3.182 -8.020 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -1.501 -5.087 -7.705 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -2.624 -5.836 -6.587 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -4.295 -5.573 -8.724 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -2.772 -5.640 -9.588 1.00 0.00 H new ATOM 0 HE ARG A 76 -2.906 -7.746 -7.601 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -3.849 -6.900 -10.909 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -4.183 -8.577 -11.350 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -3.385 -9.855 -8.179 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -3.922 -10.229 -9.820 1.00 0.00 H new ATOM 518 N LEU A 77 -3.193 -3.436 -3.566 1.00 0.00 N ATOM 519 CA LEU A 77 -3.424 -4.200 -2.346 1.00 0.00 C ATOM 520 C LEU A 77 -4.628 -5.117 -2.584 1.00 0.00 C ATOM 521 O LEU A 77 -5.781 -4.652 -2.662 1.00 0.00 O ATOM 522 CB LEU A 77 -3.653 -3.266 -1.129 1.00 0.00 C ATOM 523 CG LEU A 77 -3.544 -3.952 0.264 1.00 0.00 C ATOM 524 CD1 LEU A 77 -2.128 -4.513 0.483 1.00 0.00 C ATOM 525 CD2 LEU A 77 -3.942 -2.997 1.406 1.00 0.00 C ATOM 0 H LEU A 77 -3.562 -2.486 -3.535 1.00 0.00 H new ATOM 0 HA LEU A 77 -2.544 -4.799 -2.110 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -2.928 -2.454 -1.174 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -4.642 -2.816 -1.218 1.00 0.00 H new ATOM 0 HG LEU A 77 -4.250 -4.782 0.278 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -2.072 -4.988 1.462 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -1.904 -5.248 -0.290 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -1.403 -3.701 0.432 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -3.852 -3.515 2.361 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -3.283 -2.129 1.400 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -4.973 -2.671 1.265 1.00 0.00 H new ATOM 537 N GLU A 78 -4.322 -6.403 -2.768 1.00 0.00 N ATOM 538 CA GLU A 78 -5.308 -7.422 -3.136 1.00 0.00 C ATOM 539 C GLU A 78 -6.224 -7.752 -1.939 1.00 0.00 C ATOM 540 O GLU A 78 -5.741 -8.145 -0.867 1.00 0.00 O ATOM 541 CB GLU A 78 -4.585 -8.684 -3.660 1.00 0.00 C ATOM 542 CG GLU A 78 -3.647 -8.422 -4.858 1.00 0.00 C ATOM 543 CD GLU A 78 -3.077 -9.715 -5.456 1.00 0.00 C ATOM 544 OE1 GLU A 78 -3.753 -10.327 -6.306 1.00 0.00 O ATOM 545 OE2 GLU A 78 -1.965 -10.135 -5.067 1.00 0.00 O ATOM 0 H GLU A 78 -3.376 -6.770 -2.665 1.00 0.00 H new ATOM 0 HA GLU A 78 -5.942 -7.034 -3.933 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -4.005 -9.121 -2.847 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -5.332 -9.423 -3.952 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -4.193 -7.879 -5.630 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -2.825 -7.781 -4.538 1.00 0.00 H new ATOM 552 N ASP A 79 -7.543 -7.551 -2.144 1.00 0.00 N ATOM 553 CA ASP A 79 -8.582 -7.761 -1.119 1.00 0.00 C ATOM 554 C ASP A 79 -8.899 -9.262 -0.959 1.00 0.00 C ATOM 555 O ASP A 79 -8.828 -10.030 -1.928 1.00 0.00 O ATOM 556 CB ASP A 79 -9.860 -6.968 -1.487 1.00 0.00 C ATOM 557 CG ASP A 79 -10.964 -7.071 -0.423 1.00 0.00 C ATOM 558 OD1 ASP A 79 -10.765 -6.550 0.698 1.00 0.00 O ATOM 559 OD2 ASP A 79 -12.012 -7.690 -0.685 1.00 0.00 O ATOM 0 H ASP A 79 -7.919 -7.234 -3.038 1.00 0.00 H new ATOM 0 HA ASP A 79 -8.206 -7.394 -0.164 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -9.600 -5.919 -1.631 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -10.246 -7.334 -2.438 1.00 0.00 H new ATOM 564 N LYS A 80 -9.254 -9.668 0.276 1.00 0.00 N ATOM 565 CA LYS A 80 -9.427 -11.090 0.648 1.00 0.00 C ATOM 566 C LYS A 80 -10.912 -11.455 0.859 1.00 0.00 C ATOM 567 O LYS A 80 -11.245 -12.637 0.999 1.00 0.00 O ATOM 568 CB LYS A 80 -8.602 -11.398 1.926 1.00 0.00 C ATOM 569 CG LYS A 80 -7.113 -10.976 1.852 1.00 0.00 C ATOM 570 CD LYS A 80 -6.364 -11.565 0.632 1.00 0.00 C ATOM 571 CE LYS A 80 -4.877 -11.184 0.621 1.00 0.00 C ATOM 572 NZ LYS A 80 -4.159 -11.724 1.808 1.00 0.00 N ATOM 0 H LYS A 80 -9.429 -9.021 1.045 1.00 0.00 H new ATOM 0 HA LYS A 80 -9.062 -11.702 -0.177 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -9.067 -10.893 2.773 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -8.653 -12.468 2.126 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -7.053 -9.888 1.814 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -6.608 -11.292 2.765 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -6.458 -12.651 0.640 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -6.834 -11.211 -0.286 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -4.411 -11.563 -0.289 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -4.780 -10.099 0.600 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -3.146 -11.504 1.731 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -4.542 -11.291 2.672 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -4.287 -12.755 1.852 1.00 0.00 H new ATOM 586 N ASP A 81 -11.796 -10.437 0.902 1.00 0.00 N ATOM 587 CA ASP A 81 -13.260 -10.653 1.003 1.00 0.00 C ATOM 588 C ASP A 81 -13.842 -10.901 -0.391 1.00 0.00 C ATOM 589 O ASP A 81 -14.840 -11.607 -0.548 1.00 0.00 O ATOM 590 CB ASP A 81 -13.963 -9.438 1.648 1.00 0.00 C ATOM 591 CG ASP A 81 -13.413 -9.107 3.033 1.00 0.00 C ATOM 592 OD1 ASP A 81 -13.634 -9.894 3.975 1.00 0.00 O ATOM 593 OD2 ASP A 81 -12.748 -8.069 3.185 1.00 0.00 O ATOM 0 H ASP A 81 -11.524 -9.455 0.868 1.00 0.00 H new ATOM 0 HA ASP A 81 -13.431 -11.523 1.637 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -13.848 -8.570 0.999 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -15.031 -9.640 1.724 1.00 0.00 H new ATOM 598 N ASN A 82 -13.190 -10.291 -1.394 1.00 0.00 N ATOM 599 CA ASN A 82 -13.552 -10.397 -2.808 1.00 0.00 C ATOM 600 C ASN A 82 -12.255 -10.352 -3.628 1.00 0.00 C ATOM 601 O ASN A 82 -11.607 -9.299 -3.722 1.00 0.00 O ATOM 602 CB ASN A 82 -14.513 -9.245 -3.209 1.00 0.00 C ATOM 603 CG ASN A 82 -15.023 -9.336 -4.653 1.00 0.00 C ATOM 604 OD1 ASN A 82 -14.418 -8.803 -5.580 1.00 0.00 O ATOM 605 ND2 ASN A 82 -16.138 -10.025 -4.848 1.00 0.00 N ATOM 0 H ASN A 82 -12.377 -9.696 -1.235 1.00 0.00 H new ATOM 0 HA ASN A 82 -14.077 -11.333 -3.001 1.00 0.00 H new ATOM 0 HB2 ASN A 82 -15.367 -9.245 -2.532 1.00 0.00 H new ATOM 0 HB3 ASN A 82 -13.999 -8.293 -3.075 1.00 0.00 H new ATOM 0 HD21 ASN A 82 -16.518 -10.125 -5.789 1.00 0.00 H new ATOM 0 HD22 ASN A 82 -16.616 -10.456 -4.057 1.00 0.00 H new ATOM 612 N THR A 83 -11.876 -11.500 -4.209 1.00 0.00 N ATOM 613 CA THR A 83 -10.614 -11.650 -4.958 1.00 0.00 C ATOM 614 C THR A 83 -10.673 -10.940 -6.331 1.00 0.00 C ATOM 615 O THR A 83 -9.633 -10.724 -6.969 1.00 0.00 O ATOM 616 CB THR A 83 -10.236 -13.163 -5.133 1.00 0.00 C ATOM 617 OG1 THR A 83 -8.923 -13.290 -5.717 1.00 0.00 O ATOM 618 CG2 THR A 83 -11.259 -13.931 -5.998 1.00 0.00 C ATOM 0 H THR A 83 -12.435 -12.353 -4.174 1.00 0.00 H new ATOM 0 HA THR A 83 -9.833 -11.167 -4.370 1.00 0.00 H new ATOM 0 HB THR A 83 -10.244 -13.605 -4.137 1.00 0.00 H new ATOM 0 HG1 THR A 83 -8.739 -12.510 -6.281 1.00 0.00 H new ATOM 0 HG21 THR A 83 -10.950 -14.973 -6.088 1.00 0.00 H new ATOM 0 HG22 THR A 83 -12.242 -13.883 -5.528 1.00 0.00 H new ATOM 0 HG23 THR A 83 -11.308 -13.481 -6.989 1.00 0.00 H new ATOM 626 N SER A 84 -11.890 -10.559 -6.765 1.00 0.00 N ATOM 627 CA SER A 84 -12.109 -9.858 -8.042 1.00 0.00 C ATOM 628 C SER A 84 -11.885 -8.333 -7.871 1.00 0.00 C ATOM 629 O SER A 84 -11.835 -7.590 -8.858 1.00 0.00 O ATOM 630 CB SER A 84 -13.537 -10.159 -8.572 1.00 0.00 C ATOM 631 OG SER A 84 -13.747 -9.630 -9.874 1.00 0.00 O ATOM 0 H SER A 84 -12.747 -10.729 -6.239 1.00 0.00 H new ATOM 0 HA SER A 84 -11.387 -10.219 -8.774 1.00 0.00 H new ATOM 0 HB2 SER A 84 -13.697 -11.237 -8.589 1.00 0.00 H new ATOM 0 HB3 SER A 84 -14.273 -9.738 -7.887 1.00 0.00 H new ATOM 0 HG SER A 84 -13.281 -8.772 -9.958 1.00 0.00 H new ATOM 637 N LYS A 85 -11.750 -7.881 -6.607 1.00 0.00 N ATOM 638 CA LYS A 85 -11.467 -6.477 -6.269 1.00 0.00 C ATOM 639 C LYS A 85 -10.039 -6.354 -5.721 1.00 0.00 C ATOM 640 O LYS A 85 -9.739 -6.873 -4.651 1.00 0.00 O ATOM 641 CB LYS A 85 -12.492 -5.951 -5.222 1.00 0.00 C ATOM 642 CG LYS A 85 -12.246 -4.492 -4.750 1.00 0.00 C ATOM 643 CD LYS A 85 -13.336 -3.947 -3.783 1.00 0.00 C ATOM 644 CE LYS A 85 -14.657 -3.537 -4.481 1.00 0.00 C ATOM 645 NZ LYS A 85 -15.350 -4.668 -5.155 1.00 0.00 N ATOM 0 H LYS A 85 -11.835 -8.486 -5.790 1.00 0.00 H new ATOM 0 HA LYS A 85 -11.557 -5.872 -7.171 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -13.493 -6.017 -5.649 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -12.472 -6.608 -4.353 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -11.277 -4.440 -4.254 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -12.193 -3.843 -5.624 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -13.555 -4.708 -3.034 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -12.936 -3.083 -3.252 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -15.328 -3.099 -3.742 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -14.444 -2.762 -5.217 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -16.377 -4.508 -5.134 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -15.030 -4.733 -6.142 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -15.128 -5.555 -4.660 1.00 0.00 H new ATOM 659 N THR A 86 -9.153 -5.713 -6.493 1.00 0.00 N ATOM 660 CA THR A 86 -7.830 -5.281 -6.021 1.00 0.00 C ATOM 661 C THR A 86 -7.827 -3.748 -6.035 1.00 0.00 C ATOM 662 O THR A 86 -8.181 -3.130 -7.049 1.00 0.00 O ATOM 663 CB THR A 86 -6.664 -5.840 -6.911 1.00 0.00 C ATOM 664 OG1 THR A 86 -6.766 -5.339 -8.245 1.00 0.00 O ATOM 665 CG2 THR A 86 -6.659 -7.376 -6.969 1.00 0.00 C ATOM 0 H THR A 86 -9.334 -5.478 -7.469 1.00 0.00 H new ATOM 0 HA THR A 86 -7.656 -5.672 -5.018 1.00 0.00 H new ATOM 0 HB THR A 86 -5.736 -5.505 -6.448 1.00 0.00 H new ATOM 0 HG1 THR A 86 -7.279 -4.504 -8.243 1.00 0.00 H new ATOM 0 HG21 THR A 86 -5.834 -7.714 -7.597 1.00 0.00 H new ATOM 0 HG22 THR A 86 -6.538 -7.778 -5.963 1.00 0.00 H new ATOM 0 HG23 THR A 86 -7.602 -7.727 -7.389 1.00 0.00 H new ATOM 673 N VAL A 87 -7.462 -3.134 -4.907 1.00 0.00 N ATOM 674 CA VAL A 87 -7.500 -1.665 -4.745 1.00 0.00 C ATOM 675 C VAL A 87 -6.088 -1.108 -4.910 1.00 0.00 C ATOM 676 O VAL A 87 -5.151 -1.631 -4.316 1.00 0.00 O ATOM 677 CB VAL A 87 -8.087 -1.251 -3.340 1.00 0.00 C ATOM 678 CG1 VAL A 87 -8.160 0.293 -3.169 1.00 0.00 C ATOM 679 CG2 VAL A 87 -9.478 -1.905 -3.106 1.00 0.00 C ATOM 0 H VAL A 87 -7.132 -3.631 -4.080 1.00 0.00 H new ATOM 0 HA VAL A 87 -8.157 -1.249 -5.509 1.00 0.00 H new ATOM 0 HB VAL A 87 -7.400 -1.625 -2.580 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -8.570 0.531 -2.188 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -7.159 0.717 -3.257 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -8.802 0.715 -3.943 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -9.862 -1.605 -2.131 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -10.169 -1.579 -3.884 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -9.380 -2.990 -3.139 1.00 0.00 H new ATOM 689 N TRP A 88 -5.949 -0.026 -5.691 1.00 0.00 N ATOM 690 CA TRP A 88 -4.647 0.596 -5.957 1.00 0.00 C ATOM 691 C TRP A 88 -4.349 1.580 -4.838 1.00 0.00 C ATOM 692 O TRP A 88 -5.240 2.286 -4.394 1.00 0.00 O ATOM 693 CB TRP A 88 -4.647 1.287 -7.345 1.00 0.00 C ATOM 694 CG TRP A 88 -4.692 0.276 -8.465 1.00 0.00 C ATOM 695 CD1 TRP A 88 -5.797 -0.281 -9.050 1.00 0.00 C ATOM 696 CD2 TRP A 88 -3.562 -0.347 -9.080 1.00 0.00 C ATOM 697 NE1 TRP A 88 -5.415 -1.191 -10.003 1.00 0.00 N ATOM 698 CE2 TRP A 88 -4.050 -1.252 -10.038 1.00 0.00 C ATOM 699 CE3 TRP A 88 -2.182 -0.211 -8.919 1.00 0.00 C ATOM 700 CZ2 TRP A 88 -3.207 -2.032 -10.817 1.00 0.00 C ATOM 701 CZ3 TRP A 88 -1.347 -0.986 -9.691 1.00 0.00 C ATOM 702 CH2 TRP A 88 -1.859 -1.879 -10.639 1.00 0.00 C ATOM 0 H TRP A 88 -6.731 0.438 -6.152 1.00 0.00 H new ATOM 0 HA TRP A 88 -3.864 -0.162 -5.982 1.00 0.00 H new ATOM 0 HB2 TRP A 88 -5.506 1.954 -7.421 1.00 0.00 H new ATOM 0 HB3 TRP A 88 -3.754 1.904 -7.446 1.00 0.00 H new ATOM 0 HD1 TRP A 88 -6.819 -0.040 -8.798 1.00 0.00 H new ATOM 0 HE1 TRP A 88 -6.047 -1.734 -10.591 1.00 0.00 H new ATOM 0 HE3 TRP A 88 -1.778 0.489 -8.203 1.00 0.00 H new ATOM 0 HZ2 TRP A 88 -3.600 -2.734 -11.537 1.00 0.00 H new ATOM 0 HZ3 TRP A 88 -0.278 -0.904 -9.563 1.00 0.00 H new ATOM 0 HH2 TRP A 88 -1.176 -2.459 -11.242 1.00 0.00 H new ATOM 713 N VAL A 89 -3.105 1.606 -4.371 1.00 0.00 N ATOM 714 CA VAL A 89 -2.718 2.339 -3.171 1.00 0.00 C ATOM 715 C VAL A 89 -1.616 3.323 -3.519 1.00 0.00 C ATOM 716 O VAL A 89 -0.531 2.912 -3.933 1.00 0.00 O ATOM 717 CB VAL A 89 -2.224 1.376 -2.037 1.00 0.00 C ATOM 718 CG1 VAL A 89 -1.840 2.164 -0.753 1.00 0.00 C ATOM 719 CG2 VAL A 89 -3.285 0.287 -1.747 1.00 0.00 C ATOM 0 H VAL A 89 -2.331 1.115 -4.818 1.00 0.00 H new ATOM 0 HA VAL A 89 -3.595 2.869 -2.799 1.00 0.00 H new ATOM 0 HB VAL A 89 -1.320 0.875 -2.385 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -1.502 1.467 0.014 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -1.039 2.867 -0.983 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -2.709 2.711 -0.388 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -2.924 -0.372 -0.957 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -4.214 0.760 -1.429 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -3.465 -0.295 -2.651 1.00 0.00 H new ATOM 729 N LEU A 90 -1.911 4.619 -3.360 1.00 0.00 N ATOM 730 CA LEU A 90 -0.928 5.676 -3.544 1.00 0.00 C ATOM 731 C LEU A 90 -0.301 5.994 -2.173 1.00 0.00 C ATOM 732 O LEU A 90 -0.869 6.747 -1.367 1.00 0.00 O ATOM 733 CB LEU A 90 -1.585 6.934 -4.175 1.00 0.00 C ATOM 734 CG LEU A 90 -0.600 8.079 -4.568 1.00 0.00 C ATOM 735 CD1 LEU A 90 0.439 7.599 -5.607 1.00 0.00 C ATOM 736 CD2 LEU A 90 -1.371 9.311 -5.082 1.00 0.00 C ATOM 0 H LEU A 90 -2.838 4.957 -3.101 1.00 0.00 H new ATOM 0 HA LEU A 90 -0.148 5.349 -4.232 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -2.134 6.628 -5.066 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -2.316 7.332 -3.472 1.00 0.00 H new ATOM 0 HG LEU A 90 -0.054 8.371 -3.671 1.00 0.00 H new ATOM 0 HD11 LEU A 90 1.109 8.421 -5.858 1.00 0.00 H new ATOM 0 HD12 LEU A 90 1.017 6.775 -5.189 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -0.075 7.262 -6.507 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -0.665 10.097 -5.350 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -1.956 9.034 -5.959 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -2.038 9.675 -4.301 1.00 0.00 H new ATOM 748 N TYR A 91 0.833 5.335 -1.906 1.00 0.00 N ATOM 749 CA TYR A 91 1.655 5.586 -0.717 1.00 0.00 C ATOM 750 C TYR A 91 2.805 6.516 -1.120 1.00 0.00 C ATOM 751 O TYR A 91 3.556 6.205 -2.040 1.00 0.00 O ATOM 752 CB TYR A 91 2.210 4.259 -0.107 1.00 0.00 C ATOM 753 CG TYR A 91 3.214 4.477 1.049 1.00 0.00 C ATOM 754 CD1 TYR A 91 2.839 5.184 2.199 1.00 0.00 C ATOM 755 CD2 TYR A 91 4.533 4.006 0.980 1.00 0.00 C ATOM 756 CE1 TYR A 91 3.732 5.409 3.228 1.00 0.00 C ATOM 757 CE2 TYR A 91 5.429 4.224 2.015 1.00 0.00 C ATOM 758 CZ TYR A 91 5.023 4.930 3.135 1.00 0.00 C ATOM 759 OH TYR A 91 5.909 5.152 4.169 1.00 0.00 O ATOM 0 H TYR A 91 1.208 4.607 -2.514 1.00 0.00 H new ATOM 0 HA TYR A 91 1.040 6.052 0.053 1.00 0.00 H new ATOM 0 HB2 TYR A 91 1.375 3.660 0.257 1.00 0.00 H new ATOM 0 HB3 TYR A 91 2.696 3.683 -0.895 1.00 0.00 H new ATOM 0 HD1 TYR A 91 1.830 5.561 2.282 1.00 0.00 H new ATOM 0 HD2 TYR A 91 4.857 3.463 0.104 1.00 0.00 H new ATOM 0 HE1 TYR A 91 3.421 5.959 4.104 1.00 0.00 H new ATOM 0 HE2 TYR A 91 6.438 3.845 1.948 1.00 0.00 H new ATOM 0 HH TYR A 91 6.775 4.750 3.949 1.00 0.00 H new ATOM 769 N LYS A 92 2.907 7.665 -0.451 1.00 0.00 N ATOM 770 CA LYS A 92 4.056 8.571 -0.568 1.00 0.00 C ATOM 771 C LYS A 92 4.848 8.529 0.744 1.00 0.00 C ATOM 772 O LYS A 92 4.318 8.879 1.810 1.00 0.00 O ATOM 773 CB LYS A 92 3.574 10.005 -0.879 1.00 0.00 C ATOM 774 CG LYS A 92 2.756 10.120 -2.183 1.00 0.00 C ATOM 775 CD LYS A 92 2.230 11.550 -2.415 1.00 0.00 C ATOM 776 CE LYS A 92 1.349 11.656 -3.667 1.00 0.00 C ATOM 777 NZ LYS A 92 2.115 11.375 -4.905 1.00 0.00 N ATOM 0 H LYS A 92 2.190 7.998 0.193 1.00 0.00 H new ATOM 0 HA LYS A 92 4.701 8.254 -1.387 1.00 0.00 H new ATOM 0 HB2 LYS A 92 2.966 10.362 -0.048 1.00 0.00 H new ATOM 0 HB3 LYS A 92 4.441 10.663 -0.946 1.00 0.00 H new ATOM 0 HG2 LYS A 92 3.377 9.822 -3.027 1.00 0.00 H new ATOM 0 HG3 LYS A 92 1.916 9.427 -2.145 1.00 0.00 H new ATOM 0 HD2 LYS A 92 1.658 11.869 -1.544 1.00 0.00 H new ATOM 0 HD3 LYS A 92 3.074 12.233 -2.510 1.00 0.00 H new ATOM 0 HE2 LYS A 92 0.518 10.955 -3.587 1.00 0.00 H new ATOM 0 HE3 LYS A 92 0.919 12.656 -3.725 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 1.508 11.539 -5.733 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 2.942 12.004 -4.952 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 2.433 10.385 -4.899 1.00 0.00 H new ATOM 791 N GLY A 93 6.089 8.054 0.650 1.00 0.00 N ATOM 792 CA GLY A 93 6.982 7.932 1.793 1.00 0.00 C ATOM 793 C GLY A 93 8.143 7.004 1.495 1.00 0.00 C ATOM 794 O GLY A 93 8.187 6.389 0.422 1.00 0.00 O ATOM 0 H GLY A 93 6.502 7.742 -0.229 1.00 0.00 H new ATOM 0 HA2 GLY A 93 7.363 8.916 2.065 1.00 0.00 H new ATOM 0 HA3 GLY A 93 6.426 7.556 2.652 1.00 0.00 H new ATOM 798 N ALA A 94 9.086 6.910 2.447 1.00 0.00 N ATOM 799 CA ALA A 94 10.252 6.025 2.326 1.00 0.00 C ATOM 800 C ALA A 94 9.790 4.559 2.340 1.00 0.00 C ATOM 801 O ALA A 94 9.236 4.087 3.341 1.00 0.00 O ATOM 802 CB ALA A 94 11.260 6.304 3.457 1.00 0.00 C ATOM 0 H ALA A 94 9.060 7.443 3.316 1.00 0.00 H new ATOM 0 HA ALA A 94 10.756 6.220 1.380 1.00 0.00 H new ATOM 0 HB1 ALA A 94 12.118 5.640 3.352 1.00 0.00 H new ATOM 0 HB2 ALA A 94 11.594 7.340 3.399 1.00 0.00 H new ATOM 0 HB3 ALA A 94 10.782 6.130 4.421 1.00 0.00 H new ATOM 808 N VAL A 95 9.959 3.882 1.194 1.00 0.00 N ATOM 809 CA VAL A 95 9.582 2.471 1.024 1.00 0.00 C ATOM 810 C VAL A 95 10.690 1.568 1.609 1.00 0.00 C ATOM 811 O VAL A 95 11.823 1.594 1.114 1.00 0.00 O ATOM 812 CB VAL A 95 9.339 2.130 -0.498 1.00 0.00 C ATOM 813 CG1 VAL A 95 9.031 0.626 -0.712 1.00 0.00 C ATOM 814 CG2 VAL A 95 8.211 3.014 -1.083 1.00 0.00 C ATOM 0 H VAL A 95 10.363 4.300 0.356 1.00 0.00 H new ATOM 0 HA VAL A 95 8.649 2.290 1.558 1.00 0.00 H new ATOM 0 HB VAL A 95 10.263 2.349 -1.033 1.00 0.00 H new ATOM 0 HG11 VAL A 95 8.870 0.435 -1.773 1.00 0.00 H new ATOM 0 HG12 VAL A 95 9.872 0.029 -0.359 1.00 0.00 H new ATOM 0 HG13 VAL A 95 8.134 0.355 -0.155 1.00 0.00 H new ATOM 0 HG21 VAL A 95 8.059 2.763 -2.133 1.00 0.00 H new ATOM 0 HG22 VAL A 95 7.288 2.838 -0.531 1.00 0.00 H new ATOM 0 HG23 VAL A 95 8.490 4.064 -0.998 1.00 0.00 H new ATOM 824 N PRO A 96 10.390 0.751 2.675 1.00 0.00 N ATOM 825 CA PRO A 96 11.382 -0.168 3.264 1.00 0.00 C ATOM 826 C PRO A 96 11.599 -1.415 2.384 1.00 0.00 C ATOM 827 O PRO A 96 10.850 -1.653 1.430 1.00 0.00 O ATOM 828 CB PRO A 96 10.747 -0.537 4.626 1.00 0.00 C ATOM 829 CG PRO A 96 9.272 -0.490 4.364 1.00 0.00 C ATOM 830 CD PRO A 96 9.071 0.648 3.375 1.00 0.00 C ATOM 0 HA PRO A 96 12.372 0.278 3.359 1.00 0.00 H new ATOM 0 HB2 PRO A 96 11.062 -1.526 4.958 1.00 0.00 H new ATOM 0 HB3 PRO A 96 11.036 0.168 5.405 1.00 0.00 H new ATOM 0 HG2 PRO A 96 8.916 -1.435 3.953 1.00 0.00 H new ATOM 0 HG3 PRO A 96 8.715 -0.313 5.284 1.00 0.00 H new ATOM 0 HD2 PRO A 96 8.263 0.432 2.676 1.00 0.00 H new ATOM 0 HD3 PRO A 96 8.814 1.578 3.882 1.00 0.00 H new ATOM 838 N ASP A 97 12.613 -2.218 2.743 1.00 0.00 N ATOM 839 CA ASP A 97 12.879 -3.523 2.096 1.00 0.00 C ATOM 840 C ASP A 97 11.821 -4.534 2.577 1.00 0.00 C ATOM 841 O ASP A 97 11.517 -5.502 1.885 1.00 0.00 O ATOM 842 CB ASP A 97 14.315 -4.022 2.432 1.00 0.00 C ATOM 843 CG ASP A 97 14.678 -5.384 1.785 1.00 0.00 C ATOM 844 OD1 ASP A 97 14.417 -6.447 2.402 1.00 0.00 O ATOM 845 OD2 ASP A 97 15.222 -5.399 0.666 1.00 0.00 O ATOM 0 H ASP A 97 13.272 -1.987 3.486 1.00 0.00 H new ATOM 0 HA ASP A 97 12.816 -3.416 1.013 1.00 0.00 H new ATOM 0 HB2 ASP A 97 15.035 -3.272 2.104 1.00 0.00 H new ATOM 0 HB3 ASP A 97 14.415 -4.108 3.514 1.00 0.00 H new ATOM 850 N THR A 98 11.225 -4.231 3.748 1.00 0.00 N ATOM 851 CA THR A 98 10.174 -5.030 4.369 1.00 0.00 C ATOM 852 C THR A 98 8.920 -5.046 3.459 1.00 0.00 C ATOM 853 O THR A 98 8.180 -6.032 3.401 1.00 0.00 O ATOM 854 CB THR A 98 9.837 -4.424 5.771 1.00 0.00 C ATOM 855 OG1 THR A 98 11.059 -4.030 6.430 1.00 0.00 O ATOM 856 CG2 THR A 98 9.097 -5.419 6.660 1.00 0.00 C ATOM 0 H THR A 98 11.473 -3.405 4.292 1.00 0.00 H new ATOM 0 HA THR A 98 10.512 -6.058 4.499 1.00 0.00 H new ATOM 0 HB THR A 98 9.189 -3.563 5.610 1.00 0.00 H new ATOM 0 HG1 THR A 98 10.849 -3.649 7.308 1.00 0.00 H new ATOM 0 HG21 THR A 98 8.883 -4.957 7.624 1.00 0.00 H new ATOM 0 HG22 THR A 98 8.162 -5.709 6.181 1.00 0.00 H new ATOM 0 HG23 THR A 98 9.717 -6.303 6.811 1.00 0.00 H new ATOM 864 N PHE A 99 8.731 -3.919 2.743 1.00 0.00 N ATOM 865 CA PHE A 99 7.789 -3.822 1.626 1.00 0.00 C ATOM 866 C PHE A 99 8.431 -4.520 0.412 1.00 0.00 C ATOM 867 O PHE A 99 9.508 -4.114 -0.048 1.00 0.00 O ATOM 868 CB PHE A 99 7.451 -2.341 1.292 1.00 0.00 C ATOM 869 CG PHE A 99 6.410 -2.180 0.172 1.00 0.00 C ATOM 870 CD1 PHE A 99 6.789 -2.138 -1.175 1.00 0.00 C ATOM 871 CD2 PHE A 99 5.055 -2.088 0.469 1.00 0.00 C ATOM 872 CE1 PHE A 99 5.848 -2.014 -2.173 1.00 0.00 C ATOM 873 CE2 PHE A 99 4.117 -1.966 -0.534 1.00 0.00 C ATOM 874 CZ PHE A 99 4.514 -1.926 -1.854 1.00 0.00 C ATOM 0 H PHE A 99 9.233 -3.051 2.930 1.00 0.00 H new ATOM 0 HA PHE A 99 6.849 -4.305 1.894 1.00 0.00 H new ATOM 0 HB2 PHE A 99 7.081 -1.850 2.192 1.00 0.00 H new ATOM 0 HB3 PHE A 99 8.366 -1.826 1.001 1.00 0.00 H new ATOM 0 HD1 PHE A 99 7.835 -2.204 -1.435 1.00 0.00 H new ATOM 0 HD2 PHE A 99 4.733 -2.112 1.500 1.00 0.00 H new ATOM 0 HE1 PHE A 99 6.159 -1.986 -3.207 1.00 0.00 H new ATOM 0 HE2 PHE A 99 3.068 -1.902 -0.285 1.00 0.00 H new ATOM 0 HZ PHE A 99 3.777 -1.826 -2.637 1.00 0.00 H new ATOM 884 N LYS A 100 7.748 -5.545 -0.104 1.00 0.00 N ATOM 885 CA LYS A 100 8.264 -6.405 -1.179 1.00 0.00 C ATOM 886 C LYS A 100 7.098 -7.169 -1.859 1.00 0.00 C ATOM 887 O LYS A 100 6.034 -7.347 -1.244 1.00 0.00 O ATOM 888 CB LYS A 100 9.335 -7.393 -0.605 1.00 0.00 C ATOM 889 CG LYS A 100 8.830 -8.337 0.510 1.00 0.00 C ATOM 890 CD LYS A 100 9.896 -9.352 1.025 1.00 0.00 C ATOM 891 CE LYS A 100 11.059 -8.722 1.833 1.00 0.00 C ATOM 892 NZ LYS A 100 12.023 -7.954 0.994 1.00 0.00 N ATOM 0 H LYS A 100 6.814 -5.806 0.213 1.00 0.00 H new ATOM 0 HA LYS A 100 8.745 -5.786 -1.936 1.00 0.00 H new ATOM 0 HB2 LYS A 100 9.723 -7.999 -1.424 1.00 0.00 H new ATOM 0 HB3 LYS A 100 10.171 -6.811 -0.216 1.00 0.00 H new ATOM 0 HG2 LYS A 100 8.483 -7.735 1.350 1.00 0.00 H new ATOM 0 HG3 LYS A 100 7.968 -8.891 0.138 1.00 0.00 H new ATOM 0 HD2 LYS A 100 9.398 -10.094 1.650 1.00 0.00 H new ATOM 0 HD3 LYS A 100 10.313 -9.884 0.170 1.00 0.00 H new ATOM 0 HE2 LYS A 100 10.645 -8.060 2.593 1.00 0.00 H new ATOM 0 HE3 LYS A 100 11.596 -9.513 2.357 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 12.983 -8.066 1.378 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 11.996 -8.312 0.018 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 11.763 -6.947 1.000 1.00 0.00 H new ATOM 906 N PRO A 101 7.263 -7.608 -3.157 1.00 0.00 N ATOM 907 CA PRO A 101 6.279 -8.493 -3.836 1.00 0.00 C ATOM 908 C PRO A 101 6.067 -9.813 -3.066 1.00 0.00 C ATOM 909 O PRO A 101 6.965 -10.662 -3.033 1.00 0.00 O ATOM 910 CB PRO A 101 6.922 -8.756 -5.228 1.00 0.00 C ATOM 911 CG PRO A 101 7.872 -7.617 -5.440 1.00 0.00 C ATOM 912 CD PRO A 101 8.385 -7.239 -4.070 1.00 0.00 C ATOM 0 HA PRO A 101 5.290 -8.040 -3.900 1.00 0.00 H new ATOM 0 HB2 PRO A 101 7.443 -9.713 -5.247 1.00 0.00 H new ATOM 0 HB3 PRO A 101 6.165 -8.790 -6.012 1.00 0.00 H new ATOM 0 HG2 PRO A 101 8.692 -7.910 -6.096 1.00 0.00 H new ATOM 0 HG3 PRO A 101 7.370 -6.774 -5.915 1.00 0.00 H new ATOM 0 HD2 PRO A 101 9.298 -7.780 -3.821 1.00 0.00 H new ATOM 0 HD3 PRO A 101 8.618 -6.176 -4.009 1.00 0.00 H new ATOM 920 N GLY A 102 4.898 -9.967 -2.417 1.00 0.00 N ATOM 921 CA GLY A 102 4.588 -11.180 -1.645 1.00 0.00 C ATOM 922 C GLY A 102 4.181 -10.889 -0.206 1.00 0.00 C ATOM 923 O GLY A 102 3.468 -11.693 0.406 1.00 0.00 O ATOM 0 H GLY A 102 4.156 -9.267 -2.413 1.00 0.00 H new ATOM 0 HA2 GLY A 102 3.783 -11.722 -2.141 1.00 0.00 H new ATOM 0 HA3 GLY A 102 5.460 -11.835 -1.644 1.00 0.00 H new ATOM 927 N VAL A 103 4.626 -9.741 0.346 1.00 0.00 N ATOM 928 CA VAL A 103 4.398 -9.411 1.771 1.00 0.00 C ATOM 929 C VAL A 103 2.988 -8.813 1.973 1.00 0.00 C ATOM 930 O VAL A 103 2.437 -8.188 1.066 1.00 0.00 O ATOM 931 CB VAL A 103 5.496 -8.415 2.328 1.00 0.00 C ATOM 932 CG1 VAL A 103 5.272 -6.959 1.849 1.00 0.00 C ATOM 933 CG2 VAL A 103 5.591 -8.486 3.869 1.00 0.00 C ATOM 0 H VAL A 103 5.143 -9.029 -0.170 1.00 0.00 H new ATOM 0 HA VAL A 103 4.475 -10.341 2.334 1.00 0.00 H new ATOM 0 HB VAL A 103 6.451 -8.741 1.915 1.00 0.00 H new ATOM 0 HG11 VAL A 103 6.052 -6.317 2.259 1.00 0.00 H new ATOM 0 HG12 VAL A 103 5.309 -6.924 0.760 1.00 0.00 H new ATOM 0 HG13 VAL A 103 4.298 -6.610 2.190 1.00 0.00 H new ATOM 0 HG21 VAL A 103 6.354 -7.790 4.219 1.00 0.00 H new ATOM 0 HG22 VAL A 103 4.629 -8.219 4.306 1.00 0.00 H new ATOM 0 HG23 VAL A 103 5.858 -9.499 4.171 1.00 0.00 H new ATOM 943 N GLU A 104 2.405 -9.029 3.164 1.00 0.00 N ATOM 944 CA GLU A 104 1.162 -8.370 3.576 1.00 0.00 C ATOM 945 C GLU A 104 1.498 -7.021 4.212 1.00 0.00 C ATOM 946 O GLU A 104 2.366 -6.959 5.087 1.00 0.00 O ATOM 947 CB GLU A 104 0.380 -9.257 4.577 1.00 0.00 C ATOM 948 CG GLU A 104 -0.121 -10.589 3.987 1.00 0.00 C ATOM 949 CD GLU A 104 -1.115 -11.321 4.900 1.00 0.00 C ATOM 950 OE1 GLU A 104 -2.195 -10.754 5.175 1.00 0.00 O ATOM 951 OE2 GLU A 104 -0.820 -12.445 5.365 1.00 0.00 O ATOM 0 H GLU A 104 2.785 -9.665 3.865 1.00 0.00 H new ATOM 0 HA GLU A 104 0.531 -8.214 2.701 1.00 0.00 H new ATOM 0 HB2 GLU A 104 1.021 -9.470 5.433 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -0.475 -8.695 4.952 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -0.596 -10.397 3.025 1.00 0.00 H new ATOM 0 HG3 GLU A 104 0.733 -11.239 3.797 1.00 0.00 H new ATOM 958 N VAL A 105 0.829 -5.944 3.759 1.00 0.00 N ATOM 959 CA VAL A 105 0.986 -4.601 4.346 1.00 0.00 C ATOM 960 C VAL A 105 -0.352 -4.076 4.890 1.00 0.00 C ATOM 961 O VAL A 105 -1.430 -4.351 4.341 1.00 0.00 O ATOM 962 CB VAL A 105 1.608 -3.545 3.349 1.00 0.00 C ATOM 963 CG1 VAL A 105 3.027 -3.958 2.905 1.00 0.00 C ATOM 964 CG2 VAL A 105 0.695 -3.263 2.135 1.00 0.00 C ATOM 0 H VAL A 105 0.169 -5.980 2.982 1.00 0.00 H new ATOM 0 HA VAL A 105 1.694 -4.721 5.166 1.00 0.00 H new ATOM 0 HB VAL A 105 1.689 -2.608 3.899 1.00 0.00 H new ATOM 0 HG11 VAL A 105 3.426 -3.210 2.220 1.00 0.00 H new ATOM 0 HG12 VAL A 105 3.675 -4.032 3.779 1.00 0.00 H new ATOM 0 HG13 VAL A 105 2.984 -4.924 2.403 1.00 0.00 H new ATOM 0 HG21 VAL A 105 1.172 -2.531 1.484 1.00 0.00 H new ATOM 0 HG22 VAL A 105 0.529 -4.187 1.582 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -0.261 -2.872 2.482 1.00 0.00 H new ATOM 974 N ILE A 106 -0.251 -3.336 5.992 1.00 0.00 N ATOM 975 CA ILE A 106 -1.353 -2.640 6.640 1.00 0.00 C ATOM 976 C ILE A 106 -1.168 -1.147 6.352 1.00 0.00 C ATOM 977 O ILE A 106 -0.254 -0.513 6.890 1.00 0.00 O ATOM 978 CB ILE A 106 -1.330 -2.920 8.190 1.00 0.00 C ATOM 979 CG1 ILE A 106 -1.501 -4.455 8.468 1.00 0.00 C ATOM 980 CG2 ILE A 106 -2.391 -2.071 8.948 1.00 0.00 C ATOM 981 CD1 ILE A 106 -1.313 -4.877 9.918 1.00 0.00 C ATOM 0 H ILE A 106 0.637 -3.201 6.475 1.00 0.00 H new ATOM 0 HA ILE A 106 -2.316 -2.984 6.262 1.00 0.00 H new ATOM 0 HB ILE A 106 -0.358 -2.613 8.576 1.00 0.00 H new ATOM 0 HG12 ILE A 106 -2.497 -4.757 8.145 1.00 0.00 H new ATOM 0 HG13 ILE A 106 -0.786 -5.001 7.852 1.00 0.00 H new ATOM 0 HG21 ILE A 106 -2.342 -2.294 10.014 1.00 0.00 H new ATOM 0 HG22 ILE A 106 -2.190 -1.011 8.790 1.00 0.00 H new ATOM 0 HG23 ILE A 106 -3.386 -2.312 8.572 1.00 0.00 H new ATOM 0 HD11 ILE A 106 -1.452 -5.955 10.004 1.00 0.00 H new ATOM 0 HD12 ILE A 106 -0.308 -4.613 10.246 1.00 0.00 H new ATOM 0 HD13 ILE A 106 -2.045 -4.366 10.544 1.00 0.00 H new ATOM 993 N ILE A 107 -2.011 -0.612 5.476 1.00 0.00 N ATOM 994 CA ILE A 107 -1.943 0.795 5.057 1.00 0.00 C ATOM 995 C ILE A 107 -2.973 1.608 5.851 1.00 0.00 C ATOM 996 O ILE A 107 -4.056 1.109 6.178 1.00 0.00 O ATOM 997 CB ILE A 107 -2.199 0.946 3.511 1.00 0.00 C ATOM 998 CG1 ILE A 107 -3.630 0.452 3.131 1.00 0.00 C ATOM 999 CG2 ILE A 107 -1.109 0.197 2.698 1.00 0.00 C ATOM 1000 CD1 ILE A 107 -4.005 0.589 1.677 1.00 0.00 C ATOM 0 H ILE A 107 -2.764 -1.137 5.032 1.00 0.00 H new ATOM 0 HA ILE A 107 -0.941 1.172 5.261 1.00 0.00 H new ATOM 0 HB ILE A 107 -2.137 2.004 3.257 1.00 0.00 H new ATOM 0 HG12 ILE A 107 -3.719 -0.597 3.413 1.00 0.00 H new ATOM 0 HG13 ILE A 107 -4.355 1.005 3.728 1.00 0.00 H new ATOM 0 HG21 ILE A 107 -1.305 0.314 1.632 1.00 0.00 H new ATOM 0 HG22 ILE A 107 -0.129 0.612 2.935 1.00 0.00 H new ATOM 0 HG23 ILE A 107 -1.126 -0.862 2.956 1.00 0.00 H new ATOM 0 HD11 ILE A 107 -5.018 0.216 1.526 1.00 0.00 H new ATOM 0 HD12 ILE A 107 -3.957 1.638 1.386 1.00 0.00 H new ATOM 0 HD13 ILE A 107 -3.311 0.012 1.066 1.00 0.00 H new ATOM 1012 N GLU A 108 -2.607 2.845 6.190 1.00 0.00 N ATOM 1013 CA GLU A 108 -3.449 3.756 6.977 1.00 0.00 C ATOM 1014 C GLU A 108 -3.534 5.095 6.234 1.00 0.00 C ATOM 1015 O GLU A 108 -2.504 5.717 5.974 1.00 0.00 O ATOM 1016 CB GLU A 108 -2.826 3.966 8.387 1.00 0.00 C ATOM 1017 CG GLU A 108 -2.454 2.672 9.140 1.00 0.00 C ATOM 1018 CD GLU A 108 -1.648 2.933 10.418 1.00 0.00 C ATOM 1019 OE1 GLU A 108 -0.403 3.002 10.340 1.00 0.00 O ATOM 1020 OE2 GLU A 108 -2.252 3.102 11.500 1.00 0.00 O ATOM 0 H GLU A 108 -1.709 3.250 5.925 1.00 0.00 H new ATOM 0 HA GLU A 108 -4.447 3.335 7.101 1.00 0.00 H new ATOM 0 HB2 GLU A 108 -1.930 4.577 8.283 1.00 0.00 H new ATOM 0 HB3 GLU A 108 -3.530 4.533 8.997 1.00 0.00 H new ATOM 0 HG2 GLU A 108 -3.366 2.132 9.396 1.00 0.00 H new ATOM 0 HG3 GLU A 108 -1.877 2.026 8.478 1.00 0.00 H new ATOM 1027 N GLY A 109 -4.750 5.510 5.882 1.00 0.00 N ATOM 1028 CA GLY A 109 -4.984 6.766 5.182 1.00 0.00 C ATOM 1029 C GLY A 109 -6.460 6.944 4.891 1.00 0.00 C ATOM 1030 O GLY A 109 -7.221 7.348 5.775 1.00 0.00 O ATOM 0 H GLY A 109 -5.601 4.981 6.076 1.00 0.00 H new ATOM 0 HA2 GLY A 109 -4.623 7.599 5.786 1.00 0.00 H new ATOM 0 HA3 GLY A 109 -4.419 6.780 4.250 1.00 0.00 H new ATOM 1034 N GLY A 110 -6.863 6.652 3.651 1.00 0.00 N ATOM 1035 CA GLY A 110 -8.271 6.583 3.291 1.00 0.00 C ATOM 1036 C GLY A 110 -8.467 6.572 1.787 1.00 0.00 C ATOM 1037 O GLY A 110 -7.570 6.966 1.036 1.00 0.00 O ATOM 0 H GLY A 110 -6.225 6.459 2.879 1.00 0.00 H new ATOM 0 HA2 GLY A 110 -8.713 5.685 3.722 1.00 0.00 H new ATOM 0 HA3 GLY A 110 -8.798 7.435 3.720 1.00 0.00 H new ATOM 1041 N LEU A 111 -9.633 6.088 1.352 1.00 0.00 N ATOM 1042 CA LEU A 111 -10.056 6.104 -0.057 1.00 0.00 C ATOM 1043 C LEU A 111 -10.898 7.364 -0.319 1.00 0.00 C ATOM 1044 O LEU A 111 -11.857 7.632 0.413 1.00 0.00 O ATOM 1045 CB LEU A 111 -10.880 4.820 -0.356 1.00 0.00 C ATOM 1046 CG LEU A 111 -11.433 4.644 -1.808 1.00 0.00 C ATOM 1047 CD1 LEU A 111 -10.290 4.596 -2.836 1.00 0.00 C ATOM 1048 CD2 LEU A 111 -12.338 3.387 -1.915 1.00 0.00 C ATOM 0 H LEU A 111 -10.322 5.667 1.975 1.00 0.00 H new ATOM 0 HA LEU A 111 -9.185 6.123 -0.713 1.00 0.00 H new ATOM 0 HB2 LEU A 111 -10.255 3.957 -0.126 1.00 0.00 H new ATOM 0 HB3 LEU A 111 -11.725 4.794 0.332 1.00 0.00 H new ATOM 0 HG LEU A 111 -12.047 5.515 -2.037 1.00 0.00 H new ATOM 0 HD11 LEU A 111 -10.705 4.473 -3.836 1.00 0.00 H new ATOM 0 HD12 LEU A 111 -9.721 5.525 -2.791 1.00 0.00 H new ATOM 0 HD13 LEU A 111 -9.633 3.756 -2.610 1.00 0.00 H new ATOM 0 HD21 LEU A 111 -12.708 3.291 -2.936 1.00 0.00 H new ATOM 0 HD22 LEU A 111 -11.761 2.500 -1.653 1.00 0.00 H new ATOM 0 HD23 LEU A 111 -13.181 3.487 -1.232 1.00 0.00 H new ATOM 1060 N ALA A 112 -10.527 8.140 -1.354 1.00 0.00 N ATOM 1061 CA ALA A 112 -11.298 9.328 -1.761 1.00 0.00 C ATOM 1062 C ALA A 112 -12.469 8.887 -2.667 1.00 0.00 C ATOM 1063 O ALA A 112 -12.264 8.046 -3.536 1.00 0.00 O ATOM 1064 CB ALA A 112 -10.394 10.340 -2.491 1.00 0.00 C ATOM 0 H ALA A 112 -9.699 7.965 -1.923 1.00 0.00 H new ATOM 0 HA ALA A 112 -11.696 9.820 -0.874 1.00 0.00 H new ATOM 0 HB1 ALA A 112 -10.983 11.210 -2.783 1.00 0.00 H new ATOM 0 HB2 ALA A 112 -9.589 10.654 -1.827 1.00 0.00 H new ATOM 0 HB3 ALA A 112 -9.970 9.874 -3.380 1.00 0.00 H new ATOM 1070 N PRO A 113 -13.724 9.419 -2.462 1.00 0.00 N ATOM 1071 CA PRO A 113 -14.895 9.083 -3.323 1.00 0.00 C ATOM 1072 C PRO A 113 -14.665 9.395 -4.822 1.00 0.00 C ATOM 1073 O PRO A 113 -15.229 8.734 -5.698 1.00 0.00 O ATOM 1074 CB PRO A 113 -16.038 9.957 -2.734 1.00 0.00 C ATOM 1075 CG PRO A 113 -15.624 10.203 -1.318 1.00 0.00 C ATOM 1076 CD PRO A 113 -14.118 10.340 -1.363 1.00 0.00 C ATOM 0 HA PRO A 113 -15.109 8.014 -3.310 1.00 0.00 H new ATOM 0 HB2 PRO A 113 -16.148 10.891 -3.284 1.00 0.00 H new ATOM 0 HB3 PRO A 113 -16.998 9.443 -2.784 1.00 0.00 H new ATOM 0 HG2 PRO A 113 -16.090 11.106 -0.923 1.00 0.00 H new ATOM 0 HG3 PRO A 113 -15.925 9.379 -0.671 1.00 0.00 H new ATOM 0 HD2 PRO A 113 -13.813 11.366 -1.569 1.00 0.00 H new ATOM 0 HD3 PRO A 113 -13.660 10.056 -0.416 1.00 0.00 H new ATOM 1084 N GLY A 114 -13.813 10.401 -5.091 1.00 0.00 N ATOM 1085 CA GLY A 114 -13.511 10.846 -6.459 1.00 0.00 C ATOM 1086 C GLY A 114 -12.253 10.209 -7.053 1.00 0.00 C ATOM 1087 O GLY A 114 -12.004 10.358 -8.250 1.00 0.00 O ATOM 0 H GLY A 114 -13.318 10.924 -4.369 1.00 0.00 H new ATOM 0 HA2 GLY A 114 -14.361 10.616 -7.102 1.00 0.00 H new ATOM 0 HA3 GLY A 114 -13.394 11.930 -6.461 1.00 0.00 H new ATOM 1091 N GLU A 115 -11.446 9.518 -6.214 1.00 0.00 N ATOM 1092 CA GLU A 115 -10.207 8.820 -6.653 1.00 0.00 C ATOM 1093 C GLU A 115 -10.318 7.324 -6.371 1.00 0.00 C ATOM 1094 O GLU A 115 -10.554 6.927 -5.231 1.00 0.00 O ATOM 1095 CB GLU A 115 -8.955 9.397 -5.928 1.00 0.00 C ATOM 1096 CG GLU A 115 -8.677 10.871 -6.249 1.00 0.00 C ATOM 1097 CD GLU A 115 -7.477 11.437 -5.473 1.00 0.00 C ATOM 1098 OE1 GLU A 115 -6.323 11.212 -5.900 1.00 0.00 O ATOM 1099 OE2 GLU A 115 -7.680 12.101 -4.433 1.00 0.00 O ATOM 0 H GLU A 115 -11.632 9.427 -5.215 1.00 0.00 H new ATOM 0 HA GLU A 115 -10.092 8.980 -7.725 1.00 0.00 H new ATOM 0 HB2 GLU A 115 -9.088 9.288 -4.852 1.00 0.00 H new ATOM 0 HB3 GLU A 115 -8.082 8.804 -6.203 1.00 0.00 H new ATOM 0 HG2 GLU A 115 -8.494 10.976 -7.318 1.00 0.00 H new ATOM 0 HG3 GLU A 115 -9.564 11.461 -6.018 1.00 0.00 H new ATOM 1106 N ASP A 116 -10.116 6.501 -7.412 1.00 0.00 N ATOM 1107 CA ASP A 116 -10.124 5.029 -7.299 1.00 0.00 C ATOM 1108 C ASP A 116 -9.020 4.517 -6.355 1.00 0.00 C ATOM 1109 O ASP A 116 -9.158 3.438 -5.762 1.00 0.00 O ATOM 1110 CB ASP A 116 -9.954 4.370 -8.691 1.00 0.00 C ATOM 1111 CG ASP A 116 -11.099 4.695 -9.662 1.00 0.00 C ATOM 1112 OD1 ASP A 116 -12.198 4.122 -9.513 1.00 0.00 O ATOM 1113 OD2 ASP A 116 -10.907 5.523 -10.580 1.00 0.00 O ATOM 0 H ASP A 116 -9.942 6.836 -8.360 1.00 0.00 H new ATOM 0 HA ASP A 116 -11.090 4.751 -6.878 1.00 0.00 H new ATOM 0 HB2 ASP A 116 -9.012 4.700 -9.128 1.00 0.00 H new ATOM 0 HB3 ASP A 116 -9.887 3.289 -8.568 1.00 0.00 H new ATOM 1118 N THR A 117 -7.935 5.295 -6.219 1.00 0.00 N ATOM 1119 CA THR A 117 -6.767 4.889 -5.424 1.00 0.00 C ATOM 1120 C THR A 117 -6.963 5.226 -3.923 1.00 0.00 C ATOM 1121 O THR A 117 -7.377 6.336 -3.563 1.00 0.00 O ATOM 1122 CB THR A 117 -5.434 5.525 -5.970 1.00 0.00 C ATOM 1123 OG1 THR A 117 -4.305 5.086 -5.191 1.00 0.00 O ATOM 1124 CG2 THR A 117 -5.466 7.062 -5.984 1.00 0.00 C ATOM 0 H THR A 117 -7.843 6.214 -6.652 1.00 0.00 H new ATOM 0 HA THR A 117 -6.677 3.807 -5.521 1.00 0.00 H new ATOM 0 HB THR A 117 -5.336 5.184 -7.001 1.00 0.00 H new ATOM 0 HG1 THR A 117 -4.495 4.205 -4.807 1.00 0.00 H new ATOM 0 HG21 THR A 117 -4.520 7.442 -6.370 1.00 0.00 H new ATOM 0 HG22 THR A 117 -6.282 7.403 -6.622 1.00 0.00 H new ATOM 0 HG23 THR A 117 -5.619 7.432 -4.970 1.00 0.00 H new ATOM 1132 N PHE A 118 -6.706 4.221 -3.063 1.00 0.00 N ATOM 1133 CA PHE A 118 -6.654 4.384 -1.609 1.00 0.00 C ATOM 1134 C PHE A 118 -5.305 5.042 -1.278 1.00 0.00 C ATOM 1135 O PHE A 118 -4.254 4.454 -1.514 1.00 0.00 O ATOM 1136 CB PHE A 118 -6.770 2.996 -0.912 1.00 0.00 C ATOM 1137 CG PHE A 118 -6.978 3.035 0.611 1.00 0.00 C ATOM 1138 CD1 PHE A 118 -5.959 3.444 1.478 1.00 0.00 C ATOM 1139 CD2 PHE A 118 -8.189 2.641 1.171 1.00 0.00 C ATOM 1140 CE1 PHE A 118 -6.148 3.452 2.843 1.00 0.00 C ATOM 1141 CE2 PHE A 118 -8.379 2.651 2.535 1.00 0.00 C ATOM 1142 CZ PHE A 118 -7.359 3.056 3.368 1.00 0.00 C ATOM 0 H PHE A 118 -6.527 3.264 -3.369 1.00 0.00 H new ATOM 0 HA PHE A 118 -7.479 5.001 -1.254 1.00 0.00 H new ATOM 0 HB2 PHE A 118 -7.601 2.452 -1.361 1.00 0.00 H new ATOM 0 HB3 PHE A 118 -5.865 2.426 -1.123 1.00 0.00 H new ATOM 0 HD1 PHE A 118 -5.009 3.758 1.071 1.00 0.00 H new ATOM 0 HD2 PHE A 118 -8.994 2.322 0.525 1.00 0.00 H new ATOM 0 HE1 PHE A 118 -5.350 3.767 3.499 1.00 0.00 H new ATOM 0 HE2 PHE A 118 -9.326 2.342 2.951 1.00 0.00 H new ATOM 0 HZ PHE A 118 -7.509 3.063 4.437 1.00 0.00 H new ATOM 1152 N LYS A 119 -5.344 6.247 -0.735 1.00 0.00 N ATOM 1153 CA LYS A 119 -4.136 7.044 -0.483 1.00 0.00 C ATOM 1154 C LYS A 119 -3.717 6.869 0.984 1.00 0.00 C ATOM 1155 O LYS A 119 -4.458 7.242 1.902 1.00 0.00 O ATOM 1156 CB LYS A 119 -4.437 8.511 -0.870 1.00 0.00 C ATOM 1157 CG LYS A 119 -4.957 8.624 -2.331 1.00 0.00 C ATOM 1158 CD LYS A 119 -5.451 10.027 -2.721 1.00 0.00 C ATOM 1159 CE LYS A 119 -4.327 11.060 -2.834 1.00 0.00 C ATOM 1160 NZ LYS A 119 -4.842 12.360 -3.332 1.00 0.00 N ATOM 0 H LYS A 119 -6.209 6.708 -0.453 1.00 0.00 H new ATOM 0 HA LYS A 119 -3.292 6.713 -1.088 1.00 0.00 H new ATOM 0 HB2 LYS A 119 -5.179 8.923 -0.186 1.00 0.00 H new ATOM 0 HB3 LYS A 119 -3.533 9.110 -0.758 1.00 0.00 H new ATOM 0 HG2 LYS A 119 -4.158 8.331 -3.012 1.00 0.00 H new ATOM 0 HG3 LYS A 119 -5.772 7.913 -2.470 1.00 0.00 H new ATOM 0 HD2 LYS A 119 -5.976 9.967 -3.674 1.00 0.00 H new ATOM 0 HD3 LYS A 119 -6.174 10.368 -1.980 1.00 0.00 H new ATOM 0 HE2 LYS A 119 -3.859 11.200 -1.860 1.00 0.00 H new ATOM 0 HE3 LYS A 119 -3.555 10.689 -3.508 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 -4.251 12.687 -4.123 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 -5.823 12.243 -3.657 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 -4.813 13.062 -2.565 1.00 0.00 H new ATOM 1174 N ALA A 120 -2.541 6.246 1.181 1.00 0.00 N ATOM 1175 CA ALA A 120 -2.023 5.854 2.505 1.00 0.00 C ATOM 1176 C ALA A 120 -1.019 6.891 3.022 1.00 0.00 C ATOM 1177 O ALA A 120 0.044 7.088 2.417 1.00 0.00 O ATOM 1178 CB ALA A 120 -1.371 4.462 2.420 1.00 0.00 C ATOM 0 H ALA A 120 -1.915 5.997 0.415 1.00 0.00 H new ATOM 0 HA ALA A 120 -2.854 5.811 3.209 1.00 0.00 H new ATOM 0 HB1 ALA A 120 -0.990 4.178 3.401 1.00 0.00 H new ATOM 0 HB2 ALA A 120 -2.112 3.732 2.093 1.00 0.00 H new ATOM 0 HB3 ALA A 120 -0.548 4.489 1.705 1.00 0.00 H new ATOM 1184 N ARG A 121 -1.366 7.549 4.144 1.00 0.00 N ATOM 1185 CA ARG A 121 -0.503 8.557 4.787 1.00 0.00 C ATOM 1186 C ARG A 121 0.665 7.873 5.528 1.00 0.00 C ATOM 1187 O ARG A 121 1.733 8.463 5.699 1.00 0.00 O ATOM 1188 CB ARG A 121 -1.346 9.460 5.739 1.00 0.00 C ATOM 1189 CG ARG A 121 -1.906 8.777 7.012 1.00 0.00 C ATOM 1190 CD ARG A 121 -3.015 9.607 7.701 1.00 0.00 C ATOM 1191 NE ARG A 121 -2.642 11.028 7.875 1.00 0.00 N ATOM 1192 CZ ARG A 121 -3.468 12.003 8.292 1.00 0.00 C ATOM 1193 NH1 ARG A 121 -4.700 11.731 8.693 1.00 0.00 N ATOM 1194 NH2 ARG A 121 -3.056 13.253 8.311 1.00 0.00 N ATOM 0 H ARG A 121 -2.250 7.397 4.629 1.00 0.00 H new ATOM 0 HA ARG A 121 -0.071 9.199 4.020 1.00 0.00 H new ATOM 0 HB2 ARG A 121 -0.728 10.304 6.047 1.00 0.00 H new ATOM 0 HB3 ARG A 121 -2.183 9.867 5.172 1.00 0.00 H new ATOM 0 HG2 ARG A 121 -2.304 7.797 6.748 1.00 0.00 H new ATOM 0 HG3 ARG A 121 -1.092 8.611 7.717 1.00 0.00 H new ATOM 0 HD2 ARG A 121 -3.929 9.546 7.110 1.00 0.00 H new ATOM 0 HD3 ARG A 121 -3.236 9.172 8.676 1.00 0.00 H new ATOM 0 HE ARG A 121 -1.679 11.289 7.661 1.00 0.00 H new ATOM 0 HH11 ARG A 121 -5.037 10.768 8.689 1.00 0.00 H new ATOM 0 HH12 ARG A 121 -5.312 12.484 9.006 1.00 0.00 H new ATOM 0 HH21 ARG A 121 -2.109 13.483 8.009 1.00 0.00 H new ATOM 0 HH22 ARG A 121 -3.684 13.992 8.628 1.00 0.00 H new ATOM 1208 N THR A 122 0.438 6.613 5.945 1.00 0.00 N ATOM 1209 CA THR A 122 1.449 5.741 6.566 1.00 0.00 C ATOM 1210 C THR A 122 1.278 4.312 6.017 1.00 0.00 C ATOM 1211 O THR A 122 0.184 3.937 5.556 1.00 0.00 O ATOM 1212 CB THR A 122 1.346 5.719 8.141 1.00 0.00 C ATOM 1213 OG1 THR A 122 0.013 5.391 8.533 1.00 0.00 O ATOM 1214 CG2 THR A 122 1.738 7.056 8.795 1.00 0.00 C ATOM 0 H THR A 122 -0.474 6.165 5.857 1.00 0.00 H new ATOM 0 HA THR A 122 2.432 6.139 6.316 1.00 0.00 H new ATOM 0 HB THR A 122 2.054 4.966 8.485 1.00 0.00 H new ATOM 0 HG1 THR A 122 0.026 4.591 9.099 1.00 0.00 H new ATOM 0 HG21 THR A 122 1.645 6.972 9.878 1.00 0.00 H new ATOM 0 HG22 THR A 122 2.769 7.299 8.537 1.00 0.00 H new ATOM 0 HG23 THR A 122 1.078 7.845 8.434 1.00 0.00 H new ATOM 1222 N LEU A 123 2.363 3.528 6.053 1.00 0.00 N ATOM 1223 CA LEU A 123 2.357 2.120 5.631 1.00 0.00 C ATOM 1224 C LEU A 123 3.175 1.307 6.632 1.00 0.00 C ATOM 1225 O LEU A 123 4.257 1.725 7.055 1.00 0.00 O ATOM 1226 CB LEU A 123 2.903 1.976 4.172 1.00 0.00 C ATOM 1227 CG LEU A 123 2.885 0.536 3.510 1.00 0.00 C ATOM 1228 CD1 LEU A 123 2.688 0.623 1.978 1.00 0.00 C ATOM 1229 CD2 LEU A 123 4.170 -0.286 3.830 1.00 0.00 C ATOM 0 H LEU A 123 3.274 3.853 6.377 1.00 0.00 H new ATOM 0 HA LEU A 123 1.337 1.737 5.620 1.00 0.00 H new ATOM 0 HB2 LEU A 123 2.327 2.645 3.532 1.00 0.00 H new ATOM 0 HB3 LEU A 123 3.932 2.335 4.164 1.00 0.00 H new ATOM 0 HG LEU A 123 2.036 0.012 3.950 1.00 0.00 H new ATOM 0 HD11 LEU A 123 2.680 -0.381 1.555 1.00 0.00 H new ATOM 0 HD12 LEU A 123 1.740 1.116 1.760 1.00 0.00 H new ATOM 0 HD13 LEU A 123 3.504 1.196 1.538 1.00 0.00 H new ATOM 0 HD21 LEU A 123 4.105 -1.264 3.352 1.00 0.00 H new ATOM 0 HD22 LEU A 123 5.045 0.245 3.453 1.00 0.00 H new ATOM 0 HD23 LEU A 123 4.260 -0.415 4.909 1.00 0.00 H new ATOM 1241 N MET A 124 2.637 0.146 6.982 1.00 0.00 N ATOM 1242 CA MET A 124 3.253 -0.830 7.886 1.00 0.00 C ATOM 1243 C MET A 124 3.113 -2.210 7.225 1.00 0.00 C ATOM 1244 O MET A 124 2.369 -2.348 6.260 1.00 0.00 O ATOM 1245 CB MET A 124 2.532 -0.766 9.266 1.00 0.00 C ATOM 1246 CG MET A 124 3.104 -1.686 10.357 1.00 0.00 C ATOM 1247 SD MET A 124 2.232 -1.540 11.929 1.00 0.00 S ATOM 1248 CE MET A 124 0.573 -2.044 11.489 1.00 0.00 C ATOM 0 H MET A 124 1.727 -0.157 6.634 1.00 0.00 H new ATOM 0 HA MET A 124 4.309 -0.623 8.061 1.00 0.00 H new ATOM 0 HB2 MET A 124 2.567 0.262 9.627 1.00 0.00 H new ATOM 0 HB3 MET A 124 1.481 -1.016 9.119 1.00 0.00 H new ATOM 0 HG2 MET A 124 3.055 -2.720 10.015 1.00 0.00 H new ATOM 0 HG3 MET A 124 4.157 -1.450 10.509 1.00 0.00 H new ATOM 0 HE1 MET A 124 0.170 -2.689 12.270 1.00 0.00 H new ATOM 0 HE2 MET A 124 -0.059 -1.162 11.384 1.00 0.00 H new ATOM 0 HE3 MET A 124 0.596 -2.588 10.545 1.00 0.00 H new ATOM 1258 N THR A 125 3.855 -3.209 7.699 1.00 0.00 N ATOM 1259 CA THR A 125 3.709 -4.605 7.248 1.00 0.00 C ATOM 1260 C THR A 125 3.095 -5.458 8.373 1.00 0.00 C ATOM 1261 O THR A 125 3.278 -5.150 9.552 1.00 0.00 O ATOM 1262 CB THR A 125 5.094 -5.206 6.812 1.00 0.00 C ATOM 1263 OG1 THR A 125 6.052 -5.043 7.869 1.00 0.00 O ATOM 1264 CG2 THR A 125 5.642 -4.541 5.538 1.00 0.00 C ATOM 0 H THR A 125 4.577 -3.080 8.408 1.00 0.00 H new ATOM 0 HA THR A 125 3.046 -4.617 6.383 1.00 0.00 H new ATOM 0 HB THR A 125 4.932 -6.263 6.601 1.00 0.00 H new ATOM 0 HG1 THR A 125 6.703 -5.775 7.836 1.00 0.00 H new ATOM 0 HG21 THR A 125 6.600 -4.990 5.277 1.00 0.00 H new ATOM 0 HG22 THR A 125 4.937 -4.687 4.719 1.00 0.00 H new ATOM 0 HG23 THR A 125 5.777 -3.474 5.714 1.00 0.00 H new ATOM 1272 N LYS A 126 2.332 -6.502 7.995 1.00 0.00 N ATOM 1273 CA LYS A 126 1.871 -7.537 8.937 1.00 0.00 C ATOM 1274 C LYS A 126 3.037 -8.506 9.214 1.00 0.00 C ATOM 1275 O LYS A 126 3.365 -8.809 10.365 1.00 0.00 O ATOM 1276 CB LYS A 126 0.656 -8.320 8.354 1.00 0.00 C ATOM 1277 CG LYS A 126 0.180 -9.494 9.246 1.00 0.00 C ATOM 1278 CD LYS A 126 -0.833 -10.456 8.568 1.00 0.00 C ATOM 1279 CE LYS A 126 -2.280 -9.933 8.503 1.00 0.00 C ATOM 1280 NZ LYS A 126 -2.468 -8.853 7.507 1.00 0.00 N ATOM 0 H LYS A 126 2.020 -6.650 7.035 1.00 0.00 H new ATOM 0 HA LYS A 126 1.549 -7.061 9.863 1.00 0.00 H new ATOM 0 HB2 LYS A 126 -0.173 -7.628 8.208 1.00 0.00 H new ATOM 0 HB3 LYS A 126 0.924 -8.708 7.371 1.00 0.00 H new ATOM 0 HG2 LYS A 126 1.051 -10.069 9.561 1.00 0.00 H new ATOM 0 HG3 LYS A 126 -0.276 -9.085 10.148 1.00 0.00 H new ATOM 0 HD2 LYS A 126 -0.491 -10.664 7.554 1.00 0.00 H new ATOM 0 HD3 LYS A 126 -0.828 -11.404 9.107 1.00 0.00 H new ATOM 0 HE2 LYS A 126 -2.948 -10.760 8.262 1.00 0.00 H new ATOM 0 HE3 LYS A 126 -2.571 -9.565 9.487 1.00 0.00 H new ATOM 0 HZ1 LYS A 126 -3.445 -8.876 7.150 1.00 0.00 H new ATOM 0 HZ2 LYS A 126 -2.285 -7.932 7.954 1.00 0.00 H new ATOM 0 HZ3 LYS A 126 -1.807 -8.991 6.716 1.00 0.00 H new ATOM 1294 N CYS A 127 3.655 -8.967 8.118 1.00 0.00 N ATOM 1295 CA CYS A 127 4.747 -9.942 8.147 1.00 0.00 C ATOM 1296 C CYS A 127 6.092 -9.224 7.926 1.00 0.00 C ATOM 1297 O CYS A 127 6.268 -8.575 6.896 1.00 0.00 O ATOM 1298 CB CYS A 127 4.509 -11.007 7.046 1.00 0.00 C ATOM 1299 SG CYS A 127 5.741 -12.325 6.999 1.00 0.00 S ATOM 0 H CYS A 127 3.405 -8.668 7.175 1.00 0.00 H new ATOM 0 HA CYS A 127 4.776 -10.437 9.118 1.00 0.00 H new ATOM 0 HB2 CYS A 127 3.525 -11.452 7.196 1.00 0.00 H new ATOM 0 HB3 CYS A 127 4.490 -10.510 6.076 1.00 0.00 H new ATOM 0 HG CYS A 127 6.914 -11.833 7.269 1.00 0.00 H new ATOM 1305 N PRO A 128 7.049 -9.270 8.902 1.00 0.00 N ATOM 1306 CA PRO A 128 8.433 -8.782 8.690 1.00 0.00 C ATOM 1307 C PRO A 128 9.342 -9.867 8.060 1.00 0.00 C ATOM 1308 O PRO A 128 8.871 -10.954 7.677 1.00 0.00 O ATOM 1309 CB PRO A 128 8.866 -8.432 10.135 1.00 0.00 C ATOM 1310 CG PRO A 128 8.178 -9.458 10.987 1.00 0.00 C ATOM 1311 CD PRO A 128 6.854 -9.757 10.298 1.00 0.00 C ATOM 0 HA PRO A 128 8.503 -7.946 7.994 1.00 0.00 H new ATOM 0 HB2 PRO A 128 9.949 -8.482 10.249 1.00 0.00 H new ATOM 0 HB3 PRO A 128 8.563 -7.421 10.407 1.00 0.00 H new ATOM 0 HG2 PRO A 128 8.783 -10.360 11.077 1.00 0.00 H new ATOM 0 HG3 PRO A 128 8.016 -9.081 11.997 1.00 0.00 H new ATOM 0 HD2 PRO A 128 6.626 -10.823 10.320 1.00 0.00 H new ATOM 0 HD3 PRO A 128 6.026 -9.244 10.787 1.00 0.00 H new ATOM 1319 N LEU A 129 10.649 -9.563 7.961 1.00 0.00 N ATOM 1320 CA LEU A 129 11.680 -10.535 7.528 1.00 0.00 C ATOM 1321 C LEU A 129 12.806 -10.596 8.572 1.00 0.00 C ATOM 1322 O LEU A 129 12.747 -9.916 9.599 1.00 0.00 O ATOM 1323 CB LEU A 129 12.239 -10.226 6.099 1.00 0.00 C ATOM 1324 CG LEU A 129 13.135 -8.952 5.906 1.00 0.00 C ATOM 1325 CD1 LEU A 129 13.890 -9.012 4.558 1.00 0.00 C ATOM 1326 CD2 LEU A 129 12.318 -7.647 5.999 1.00 0.00 C ATOM 0 H LEU A 129 11.024 -8.639 8.178 1.00 0.00 H new ATOM 0 HA LEU A 129 11.206 -11.514 7.457 1.00 0.00 H new ATOM 0 HB2 LEU A 129 12.818 -11.091 5.775 1.00 0.00 H new ATOM 0 HB3 LEU A 129 11.389 -10.140 5.422 1.00 0.00 H new ATOM 0 HG LEU A 129 13.859 -8.947 6.721 1.00 0.00 H new ATOM 0 HD11 LEU A 129 14.505 -8.119 4.445 1.00 0.00 H new ATOM 0 HD12 LEU A 129 14.527 -9.896 4.537 1.00 0.00 H new ATOM 0 HD13 LEU A 129 13.171 -9.063 3.740 1.00 0.00 H new ATOM 0 HD21 LEU A 129 12.980 -6.792 5.859 1.00 0.00 H new ATOM 0 HD22 LEU A 129 11.551 -7.642 5.225 1.00 0.00 H new ATOM 0 HD23 LEU A 129 11.845 -7.583 6.979 1.00 0.00 H new ATOM 1338 N GLU A 130 13.812 -11.440 8.306 1.00 0.00 N ATOM 1339 CA GLU A 130 14.950 -11.681 9.224 1.00 0.00 C ATOM 1340 C GLU A 130 16.184 -10.811 8.833 1.00 0.00 C ATOM 1341 O GLU A 130 17.050 -11.273 8.062 1.00 0.00 O ATOM 1342 CB GLU A 130 15.273 -13.226 9.308 1.00 0.00 C ATOM 1343 CG GLU A 130 14.820 -14.099 8.100 1.00 0.00 C ATOM 1344 CD GLU A 130 15.546 -13.781 6.771 1.00 0.00 C ATOM 1345 OE1 GLU A 130 16.606 -14.382 6.505 1.00 0.00 O ATOM 1346 OE2 GLU A 130 15.057 -12.929 5.990 1.00 0.00 O ATOM 0 H GLU A 130 13.866 -11.982 7.444 1.00 0.00 H new ATOM 0 HA GLU A 130 14.670 -11.365 10.229 1.00 0.00 H new ATOM 0 HB2 GLU A 130 16.350 -13.343 9.428 1.00 0.00 H new ATOM 0 HB3 GLU A 130 14.807 -13.623 10.210 1.00 0.00 H new ATOM 0 HG2 GLU A 130 14.982 -15.149 8.346 1.00 0.00 H new ATOM 0 HG3 GLU A 130 13.748 -13.967 7.954 1.00 0.00 H new TER 1353 GLU A 130