USER MOD reduce.3.24.130724 H: found=0, std=0, add=603, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 603 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 15 LYS NZ :NH3+ -127:sc= 0.557 (180deg=-0.897) USER MOD Set 1.2: A 22 SER OG : rot 79:sc= 1.13 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 5 THR OG1 : rot 54:sc= 0.0175 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 THR OG1 : rot -87:sc= -4.48! USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 SER OG : rot 120:sc= -1.63! USER MOD Single : A 28 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 30 ASN : amide:sc= -0.149 X(o=-0.15,f=-0.012) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc=-0.00524 (180deg=-0.00524) USER MOD Single : A 48 MET CE :methyl -140:sc= -0.257 (180deg=-1.34!) USER MOD Single : A 52 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 SER OG : rot 180:sc= -0.784 USER MOD Single : A 60 MET CE :methyl 143:sc=-0.00855 (180deg=-0.987) USER MOD Single : A 62 MET CE :methyl 164:sc= -2.5! (180deg=-3.22!) USER MOD Single : A 66 THR OG1 : rot 82:sc= 1.25 USER MOD Single : A 69 SER OG : rot 180:sc= -0.417 USER MOD Single : A 70 MET CE :methyl -154:sc=-0.000406 (180deg=-0.336) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 1.138 20.429 -16.370 1.00 0.00 N ATOM 2 CA MET A 1 1.681 19.498 -17.398 1.00 0.00 C ATOM 3 C MET A 1 1.255 18.066 -17.067 1.00 0.00 C ATOM 4 O MET A 1 0.473 17.462 -17.774 1.00 0.00 O ATOM 5 CB MET A 1 3.209 19.586 -17.408 1.00 0.00 C ATOM 6 CG MET A 1 3.750 18.984 -18.706 1.00 0.00 C ATOM 7 SD MET A 1 4.608 20.267 -19.654 1.00 0.00 S ATOM 8 CE MET A 1 3.158 20.913 -20.524 1.00 0.00 C ATOM 0 H1 MET A 1 1.428 21.402 -16.595 1.00 0.00 H new ATOM 0 H2 MET A 1 0.100 20.370 -16.362 1.00 0.00 H new ATOM 0 H3 MET A 1 1.507 20.166 -15.434 1.00 0.00 H new ATOM 0 HA MET A 1 1.294 19.774 -18.379 1.00 0.00 H new ATOM 0 HB2 MET A 1 3.524 20.626 -17.319 1.00 0.00 H new ATOM 0 HB3 MET A 1 3.619 19.054 -16.550 1.00 0.00 H new ATOM 0 HG2 MET A 1 4.433 18.164 -18.482 1.00 0.00 H new ATOM 0 HG3 MET A 1 2.933 18.567 -19.295 1.00 0.00 H new ATOM 0 HE1 MET A 1 3.461 21.730 -21.179 1.00 0.00 H new ATOM 0 HE2 MET A 1 2.707 20.119 -21.119 1.00 0.00 H new ATOM 0 HE3 MET A 1 2.432 21.279 -19.798 1.00 0.00 H new ATOM 20 N THR A 2 1.765 17.517 -15.998 1.00 0.00 N ATOM 21 CA THR A 2 1.391 16.124 -15.623 1.00 0.00 C ATOM 22 C THR A 2 -0.128 16.023 -15.478 1.00 0.00 C ATOM 23 O THR A 2 -0.738 16.744 -14.717 1.00 0.00 O ATOM 24 CB THR A 2 2.050 15.759 -14.292 1.00 0.00 C ATOM 25 OG1 THR A 2 1.548 14.507 -13.847 1.00 0.00 O ATOM 26 CG2 THR A 2 1.735 16.837 -13.255 1.00 0.00 C ATOM 0 H THR A 2 2.425 17.973 -15.368 1.00 0.00 H new ATOM 0 HA THR A 2 1.730 15.438 -16.400 1.00 0.00 H new ATOM 0 HB THR A 2 3.130 15.691 -14.424 1.00 0.00 H new ATOM 0 HG1 THR A 2 1.970 14.270 -12.995 1.00 0.00 H new ATOM 0 HG21 THR A 2 2.204 16.577 -12.306 1.00 0.00 H new ATOM 0 HG22 THR A 2 2.120 17.797 -13.600 1.00 0.00 H new ATOM 0 HG23 THR A 2 0.656 16.907 -13.119 1.00 0.00 H new ATOM 34 N PHE A 3 -0.744 15.126 -16.201 1.00 0.00 N ATOM 35 CA PHE A 3 -2.223 14.978 -16.099 1.00 0.00 C ATOM 36 C PHE A 3 -2.619 14.844 -14.627 1.00 0.00 C ATOM 37 O PHE A 3 -1.788 14.609 -13.771 1.00 0.00 O ATOM 38 CB PHE A 3 -2.669 13.726 -16.864 1.00 0.00 C ATOM 39 CG PHE A 3 -1.597 12.665 -16.774 1.00 0.00 C ATOM 40 CD1 PHE A 3 -1.142 12.233 -15.522 1.00 0.00 C ATOM 41 CD2 PHE A 3 -1.057 12.115 -17.943 1.00 0.00 C ATOM 42 CE1 PHE A 3 -0.148 11.251 -15.440 1.00 0.00 C ATOM 43 CE2 PHE A 3 -0.063 11.133 -17.861 1.00 0.00 C ATOM 44 CZ PHE A 3 0.392 10.701 -16.609 1.00 0.00 C ATOM 0 H PHE A 3 -0.287 14.491 -16.856 1.00 0.00 H new ATOM 0 HA PHE A 3 -2.706 15.855 -16.529 1.00 0.00 H new ATOM 0 HB2 PHE A 3 -3.604 13.348 -16.449 1.00 0.00 H new ATOM 0 HB3 PHE A 3 -2.861 13.975 -17.908 1.00 0.00 H new ATOM 0 HD1 PHE A 3 -1.558 12.657 -14.620 1.00 0.00 H new ATOM 0 HD2 PHE A 3 -1.408 12.449 -18.908 1.00 0.00 H new ATOM 0 HE1 PHE A 3 0.203 10.917 -14.475 1.00 0.00 H new ATOM 0 HE2 PHE A 3 0.353 10.709 -18.763 1.00 0.00 H new ATOM 0 HZ PHE A 3 1.159 9.944 -16.545 1.00 0.00 H new ATOM 54 N ILE A 4 -3.879 14.991 -14.324 1.00 0.00 N ATOM 55 CA ILE A 4 -4.323 14.871 -12.905 1.00 0.00 C ATOM 56 C ILE A 4 -4.753 13.429 -12.628 1.00 0.00 C ATOM 57 O ILE A 4 -5.421 12.807 -13.429 1.00 0.00 O ATOM 58 CB ILE A 4 -5.504 15.812 -12.660 1.00 0.00 C ATOM 59 CG1 ILE A 4 -5.268 17.134 -13.398 1.00 0.00 C ATOM 60 CG2 ILE A 4 -5.639 16.083 -11.161 1.00 0.00 C ATOM 61 CD1 ILE A 4 -4.106 17.883 -12.747 1.00 0.00 C ATOM 0 H ILE A 4 -4.620 15.189 -14.996 1.00 0.00 H new ATOM 0 HA ILE A 4 -3.501 15.140 -12.241 1.00 0.00 H new ATOM 0 HB ILE A 4 -6.419 15.348 -13.029 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -5.048 16.942 -14.448 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -6.170 17.745 -13.368 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -6.481 16.754 -10.987 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -5.809 15.143 -10.635 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -4.724 16.546 -10.791 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -3.939 18.823 -13.273 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -4.344 18.088 -11.703 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -3.204 17.273 -12.800 1.00 0.00 H new ATOM 73 N THR A 5 -4.377 12.893 -11.498 1.00 0.00 N ATOM 74 CA THR A 5 -4.767 11.491 -11.175 1.00 0.00 C ATOM 75 C THR A 5 -4.844 11.316 -9.655 1.00 0.00 C ATOM 76 O THR A 5 -3.845 11.118 -8.991 1.00 0.00 O ATOM 77 CB THR A 5 -3.724 10.526 -11.745 1.00 0.00 C ATOM 78 OG1 THR A 5 -2.430 11.101 -11.621 1.00 0.00 O ATOM 79 CG2 THR A 5 -4.028 10.258 -13.220 1.00 0.00 C ATOM 0 H THR A 5 -3.818 13.364 -10.787 1.00 0.00 H new ATOM 0 HA THR A 5 -5.741 11.277 -11.615 1.00 0.00 H new ATOM 0 HB THR A 5 -3.757 9.586 -11.193 1.00 0.00 H new ATOM 0 HG1 THR A 5 -2.278 11.367 -10.690 1.00 0.00 H new ATOM 0 HG21 THR A 5 -3.285 9.571 -13.626 1.00 0.00 H new ATOM 0 HG22 THR A 5 -5.020 9.816 -13.313 1.00 0.00 H new ATOM 0 HG23 THR A 5 -3.996 11.196 -13.774 1.00 0.00 H new ATOM 87 N LYS A 6 -6.023 11.387 -9.099 1.00 0.00 N ATOM 88 CA LYS A 6 -6.163 11.224 -7.624 1.00 0.00 C ATOM 89 C LYS A 6 -5.685 9.834 -7.215 1.00 0.00 C ATOM 90 O LYS A 6 -5.288 9.034 -8.040 1.00 0.00 O ATOM 91 CB LYS A 6 -7.632 11.400 -7.227 1.00 0.00 C ATOM 92 CG LYS A 6 -8.478 10.310 -7.889 1.00 0.00 C ATOM 93 CD LYS A 6 -9.963 10.614 -7.673 1.00 0.00 C ATOM 94 CE LYS A 6 -10.743 10.298 -8.952 1.00 0.00 C ATOM 95 NZ LYS A 6 -11.958 11.158 -9.018 1.00 0.00 N ATOM 0 H LYS A 6 -6.895 11.551 -9.602 1.00 0.00 H new ATOM 0 HA LYS A 6 -5.559 11.976 -7.117 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -7.735 11.346 -6.143 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -7.986 12.385 -7.532 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -8.257 10.261 -8.955 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -8.230 9.336 -7.467 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -10.349 10.021 -6.844 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -10.095 11.662 -7.404 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -10.115 10.470 -9.826 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -11.028 9.246 -8.966 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -12.488 10.944 -9.887 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -12.560 10.973 -8.190 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -11.675 12.159 -9.023 1.00 0.00 H new ATOM 109 N THR A 7 -5.706 9.541 -5.944 1.00 0.00 N ATOM 110 CA THR A 7 -5.239 8.206 -5.487 1.00 0.00 C ATOM 111 C THR A 7 -6.065 7.734 -4.282 1.00 0.00 C ATOM 112 O THR A 7 -6.457 8.530 -3.450 1.00 0.00 O ATOM 113 CB THR A 7 -3.768 8.306 -5.077 1.00 0.00 C ATOM 114 OG1 THR A 7 -3.409 7.161 -4.319 1.00 0.00 O ATOM 115 CG2 THR A 7 -3.558 9.563 -4.235 1.00 0.00 C ATOM 0 H THR A 7 -6.026 10.168 -5.205 1.00 0.00 H new ATOM 0 HA THR A 7 -5.358 7.490 -6.300 1.00 0.00 H new ATOM 0 HB THR A 7 -3.145 8.360 -5.970 1.00 0.00 H new ATOM 0 HG1 THR A 7 -3.615 7.317 -3.374 1.00 0.00 H new ATOM 0 HG21 THR A 7 -2.510 9.634 -3.943 1.00 0.00 H new ATOM 0 HG22 THR A 7 -3.833 10.442 -4.818 1.00 0.00 H new ATOM 0 HG23 THR A 7 -4.181 9.511 -3.342 1.00 0.00 H new ATOM 123 N PRO A 8 -6.291 6.444 -4.223 1.00 0.00 N ATOM 124 CA PRO A 8 -7.051 5.811 -3.126 1.00 0.00 C ATOM 125 C PRO A 8 -6.148 5.667 -1.895 1.00 0.00 C ATOM 126 O PRO A 8 -4.991 6.037 -1.942 1.00 0.00 O ATOM 127 CB PRO A 8 -7.426 4.439 -3.707 1.00 0.00 C ATOM 128 CG PRO A 8 -6.413 4.145 -4.837 1.00 0.00 C ATOM 129 CD PRO A 8 -5.808 5.496 -5.250 1.00 0.00 C ATOM 0 HA PRO A 8 -7.924 6.378 -2.803 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -7.383 3.668 -2.938 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -8.445 4.447 -4.093 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -5.636 3.462 -4.493 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -6.906 3.667 -5.684 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -4.719 5.454 -5.271 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -6.135 5.790 -6.247 1.00 0.00 H new ATOM 137 N PRO A 9 -6.688 5.129 -0.829 1.00 0.00 N ATOM 138 CA PRO A 9 -5.920 4.931 0.412 1.00 0.00 C ATOM 139 C PRO A 9 -4.888 3.813 0.222 1.00 0.00 C ATOM 140 O PRO A 9 -5.177 2.766 -0.320 1.00 0.00 O ATOM 141 CB PRO A 9 -6.988 4.579 1.453 1.00 0.00 C ATOM 142 CG PRO A 9 -8.219 4.080 0.664 1.00 0.00 C ATOM 143 CD PRO A 9 -8.093 4.666 -0.756 1.00 0.00 C ATOM 0 HA PRO A 9 -5.343 5.804 0.716 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -6.626 3.810 2.136 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -7.242 5.449 2.059 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -8.245 2.991 0.634 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -9.144 4.408 1.139 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -8.306 3.916 -1.518 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -8.793 5.487 -0.913 1.00 0.00 H new ATOM 151 N ALA A 10 -3.677 4.057 0.642 1.00 0.00 N ATOM 152 CA ALA A 10 -2.591 3.049 0.471 1.00 0.00 C ATOM 153 C ALA A 10 -3.089 1.644 0.801 1.00 0.00 C ATOM 154 O ALA A 10 -3.242 0.815 -0.072 1.00 0.00 O ATOM 155 CB ALA A 10 -1.428 3.394 1.398 1.00 0.00 C ATOM 0 H ALA A 10 -3.390 4.921 1.102 1.00 0.00 H new ATOM 0 HA ALA A 10 -2.267 3.069 -0.569 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -0.633 2.658 1.274 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -1.047 4.385 1.150 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -1.772 3.386 2.432 1.00 0.00 H new ATOM 161 N ALA A 11 -3.314 1.363 2.055 1.00 0.00 N ATOM 162 CA ALA A 11 -3.770 -0.002 2.449 1.00 0.00 C ATOM 163 C ALA A 11 -4.776 -0.540 1.429 1.00 0.00 C ATOM 164 O ALA A 11 -4.485 -1.463 0.692 1.00 0.00 O ATOM 165 CB ALA A 11 -4.422 0.059 3.832 1.00 0.00 C ATOM 0 H ALA A 11 -3.202 2.021 2.826 1.00 0.00 H new ATOM 0 HA ALA A 11 -2.909 -0.670 2.479 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -4.756 -0.938 4.121 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -3.698 0.425 4.560 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -5.278 0.733 3.801 1.00 0.00 H new ATOM 171 N VAL A 12 -5.951 0.020 1.371 1.00 0.00 N ATOM 172 CA VAL A 12 -6.956 -0.475 0.386 1.00 0.00 C ATOM 173 C VAL A 12 -6.276 -0.669 -0.971 1.00 0.00 C ATOM 174 O VAL A 12 -6.535 -1.622 -1.678 1.00 0.00 O ATOM 175 CB VAL A 12 -8.085 0.547 0.252 1.00 0.00 C ATOM 176 CG1 VAL A 12 -9.197 -0.029 -0.624 1.00 0.00 C ATOM 177 CG2 VAL A 12 -8.645 0.872 1.639 1.00 0.00 C ATOM 0 H VAL A 12 -6.259 0.795 1.959 1.00 0.00 H new ATOM 0 HA VAL A 12 -7.369 -1.424 0.727 1.00 0.00 H new ATOM 0 HB VAL A 12 -7.698 1.456 -0.207 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -10.001 0.701 -0.718 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -8.799 -0.260 -1.612 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -9.585 -0.939 -0.167 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -9.450 1.601 1.545 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -9.031 -0.038 2.098 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -7.853 1.285 2.263 1.00 0.00 H new ATOM 187 N LEU A 13 -5.402 0.230 -1.337 1.00 0.00 N ATOM 188 CA LEU A 13 -4.696 0.104 -2.644 1.00 0.00 C ATOM 189 C LEU A 13 -3.651 -1.010 -2.541 1.00 0.00 C ATOM 190 O LEU A 13 -3.285 -1.632 -3.517 1.00 0.00 O ATOM 191 CB LEU A 13 -4.011 1.434 -2.973 1.00 0.00 C ATOM 192 CG LEU A 13 -3.028 1.244 -4.130 1.00 0.00 C ATOM 193 CD1 LEU A 13 -3.427 2.156 -5.293 1.00 0.00 C ATOM 194 CD2 LEU A 13 -1.616 1.610 -3.659 1.00 0.00 C ATOM 0 H LEU A 13 -5.146 1.049 -0.785 1.00 0.00 H new ATOM 0 HA LEU A 13 -5.407 -0.140 -3.434 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -4.758 2.181 -3.239 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -3.484 1.808 -2.095 1.00 0.00 H new ATOM 0 HG LEU A 13 -3.048 0.205 -4.459 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -2.727 2.021 -6.118 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -4.433 1.902 -5.626 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -3.405 3.195 -4.965 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -0.912 1.476 -4.481 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -1.599 2.650 -3.333 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -1.331 0.965 -2.828 1.00 0.00 H new ATOM 206 N LEU A 14 -3.180 -1.267 -1.354 1.00 0.00 N ATOM 207 CA LEU A 14 -2.167 -2.339 -1.162 1.00 0.00 C ATOM 208 C LEU A 14 -2.821 -3.698 -1.410 1.00 0.00 C ATOM 209 O LEU A 14 -2.459 -4.416 -2.323 1.00 0.00 O ATOM 210 CB LEU A 14 -1.636 -2.286 0.272 1.00 0.00 C ATOM 211 CG LEU A 14 -0.245 -1.652 0.284 1.00 0.00 C ATOM 212 CD1 LEU A 14 0.689 -2.453 -0.625 1.00 0.00 C ATOM 213 CD2 LEU A 14 -0.337 -0.211 -0.219 1.00 0.00 C ATOM 0 H LEU A 14 -3.456 -0.777 -0.503 1.00 0.00 H new ATOM 0 HA LEU A 14 -1.343 -2.194 -1.861 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -2.315 -1.709 0.900 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -1.591 -3.291 0.691 1.00 0.00 H new ATOM 0 HG LEU A 14 0.148 -1.656 1.301 1.00 0.00 H new ATOM 0 HD11 LEU A 14 1.681 -2.001 -0.617 1.00 0.00 H new ATOM 0 HD12 LEU A 14 0.755 -3.480 -0.265 1.00 0.00 H new ATOM 0 HD13 LEU A 14 0.298 -2.450 -1.642 1.00 0.00 H new ATOM 0 HD21 LEU A 14 0.655 0.241 -0.211 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -0.730 -0.205 -1.236 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -1.001 0.359 0.430 1.00 0.00 H new ATOM 225 N LYS A 15 -3.785 -4.054 -0.605 1.00 0.00 N ATOM 226 CA LYS A 15 -4.469 -5.363 -0.790 1.00 0.00 C ATOM 227 C LYS A 15 -5.014 -5.450 -2.217 1.00 0.00 C ATOM 228 O LYS A 15 -5.090 -6.509 -2.806 1.00 0.00 O ATOM 229 CB LYS A 15 -5.627 -5.482 0.204 1.00 0.00 C ATOM 230 CG LYS A 15 -5.693 -6.914 0.741 1.00 0.00 C ATOM 231 CD LYS A 15 -6.271 -7.837 -0.333 1.00 0.00 C ATOM 232 CE LYS A 15 -7.709 -7.420 -0.650 1.00 0.00 C ATOM 233 NZ LYS A 15 -7.831 -7.125 -2.106 1.00 0.00 N ATOM 0 H LYS A 15 -4.128 -3.492 0.174 1.00 0.00 H new ATOM 0 HA LYS A 15 -3.759 -6.172 -0.617 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -5.488 -4.780 1.026 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -6.567 -5.221 -0.283 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -4.697 -7.252 1.028 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -6.312 -6.949 1.637 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -5.661 -7.789 -1.235 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -6.249 -8.871 0.012 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -8.400 -8.215 -0.370 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -7.981 -6.541 -0.066 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -8.243 -6.179 -2.235 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -6.889 -7.155 -2.546 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -8.446 -7.835 -2.554 1.00 0.00 H new ATOM 247 N LYS A 16 -5.399 -4.342 -2.780 1.00 0.00 N ATOM 248 CA LYS A 16 -5.939 -4.370 -4.165 1.00 0.00 C ATOM 249 C LYS A 16 -4.812 -4.652 -5.152 1.00 0.00 C ATOM 250 O LYS A 16 -4.771 -5.679 -5.802 1.00 0.00 O ATOM 251 CB LYS A 16 -6.579 -3.019 -4.490 1.00 0.00 C ATOM 252 CG LYS A 16 -7.056 -3.013 -5.944 1.00 0.00 C ATOM 253 CD LYS A 16 -8.525 -3.438 -6.003 1.00 0.00 C ATOM 254 CE LYS A 16 -9.287 -2.512 -6.953 1.00 0.00 C ATOM 255 NZ LYS A 16 -10.529 -3.193 -7.419 1.00 0.00 N ATOM 0 H LYS A 16 -5.364 -3.421 -2.343 1.00 0.00 H new ATOM 0 HA LYS A 16 -6.690 -5.157 -4.244 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -7.419 -2.833 -3.821 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -5.859 -2.216 -4.330 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -6.937 -2.018 -6.372 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -6.446 -3.692 -6.540 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -8.602 -4.470 -6.345 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -8.966 -3.398 -5.007 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -9.538 -1.580 -6.446 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -8.660 -2.252 -7.806 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -11.048 -2.565 -8.065 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -10.278 -4.071 -7.917 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -11.129 -3.420 -6.600 1.00 0.00 H new ATOM 269 N ALA A 17 -3.911 -3.734 -5.275 1.00 0.00 N ATOM 270 CA ALA A 17 -2.775 -3.903 -6.228 1.00 0.00 C ATOM 271 C ALA A 17 -1.885 -5.083 -5.816 1.00 0.00 C ATOM 272 O ALA A 17 -1.850 -6.103 -6.476 1.00 0.00 O ATOM 273 CB ALA A 17 -1.941 -2.621 -6.248 1.00 0.00 C ATOM 0 H ALA A 17 -3.905 -2.858 -4.752 1.00 0.00 H new ATOM 0 HA ALA A 17 -3.179 -4.105 -7.220 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -1.109 -2.739 -6.943 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -2.565 -1.786 -6.567 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -1.554 -2.423 -5.249 1.00 0.00 H new ATOM 279 N ALA A 18 -1.145 -4.942 -4.749 1.00 0.00 N ATOM 280 CA ALA A 18 -0.233 -6.045 -4.317 1.00 0.00 C ATOM 281 C ALA A 18 -1.018 -7.169 -3.638 1.00 0.00 C ATOM 282 O ALA A 18 -0.545 -8.283 -3.531 1.00 0.00 O ATOM 283 CB ALA A 18 0.802 -5.494 -3.336 1.00 0.00 C ATOM 0 H ALA A 18 -1.131 -4.112 -4.157 1.00 0.00 H new ATOM 0 HA ALA A 18 0.262 -6.448 -5.201 1.00 0.00 H new ATOM 0 HB1 ALA A 18 1.468 -6.297 -3.020 1.00 0.00 H new ATOM 0 HB2 ALA A 18 1.384 -4.711 -3.822 1.00 0.00 H new ATOM 0 HB3 ALA A 18 0.294 -5.080 -2.465 1.00 0.00 H new ATOM 289 N GLY A 19 -2.204 -6.898 -3.172 1.00 0.00 N ATOM 290 CA GLY A 19 -2.987 -7.972 -2.497 1.00 0.00 C ATOM 291 C GLY A 19 -3.785 -8.762 -3.533 1.00 0.00 C ATOM 292 O GLY A 19 -4.780 -9.382 -3.215 1.00 0.00 O ATOM 0 H GLY A 19 -2.663 -5.989 -3.228 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -2.315 -8.639 -1.956 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -3.662 -7.535 -1.761 1.00 0.00 H new ATOM 296 N ILE A 20 -3.352 -8.751 -4.766 1.00 0.00 N ATOM 297 CA ILE A 20 -4.078 -9.505 -5.827 1.00 0.00 C ATOM 298 C ILE A 20 -5.585 -9.298 -5.671 1.00 0.00 C ATOM 299 O ILE A 20 -6.033 -8.455 -4.921 1.00 0.00 O ATOM 300 CB ILE A 20 -3.738 -10.996 -5.716 1.00 0.00 C ATOM 301 CG1 ILE A 20 -4.309 -11.567 -4.416 1.00 0.00 C ATOM 302 CG2 ILE A 20 -2.219 -11.170 -5.711 1.00 0.00 C ATOM 303 CD1 ILE A 20 -4.201 -13.091 -4.437 1.00 0.00 C ATOM 0 H ILE A 20 -2.523 -8.250 -5.084 1.00 0.00 H new ATOM 0 HA ILE A 20 -3.772 -9.139 -6.807 1.00 0.00 H new ATOM 0 HB ILE A 20 -4.172 -11.524 -6.565 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -3.766 -11.165 -3.561 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -5.351 -11.267 -4.302 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -1.974 -12.229 -5.632 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -1.804 -10.770 -6.636 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -1.794 -10.635 -4.861 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -4.608 -13.497 -3.511 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -4.764 -13.484 -5.284 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -3.154 -13.380 -4.531 1.00 0.00 H new ATOM 315 N GLU A 21 -6.370 -10.054 -6.385 1.00 0.00 N ATOM 316 CA GLU A 21 -7.851 -9.892 -6.285 1.00 0.00 C ATOM 317 C GLU A 21 -8.323 -10.273 -4.877 1.00 0.00 C ATOM 318 O GLU A 21 -8.909 -9.472 -4.176 1.00 0.00 O ATOM 319 CB GLU A 21 -8.558 -10.776 -7.323 1.00 0.00 C ATOM 320 CG GLU A 21 -7.749 -12.049 -7.583 1.00 0.00 C ATOM 321 CD GLU A 21 -6.965 -11.899 -8.889 1.00 0.00 C ATOM 322 OE1 GLU A 21 -7.423 -11.168 -9.751 1.00 0.00 O ATOM 323 OE2 GLU A 21 -5.920 -12.518 -9.003 1.00 0.00 O ATOM 0 H GLU A 21 -6.054 -10.776 -7.033 1.00 0.00 H new ATOM 0 HA GLU A 21 -8.101 -8.849 -6.481 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -9.555 -11.038 -6.968 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -8.686 -10.223 -8.254 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -7.065 -12.233 -6.755 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -8.415 -12.910 -7.643 1.00 0.00 H new ATOM 330 N SER A 22 -8.077 -11.485 -4.455 1.00 0.00 N ATOM 331 CA SER A 22 -8.519 -11.906 -3.092 1.00 0.00 C ATOM 332 C SER A 22 -8.508 -13.431 -3.001 1.00 0.00 C ATOM 333 O SER A 22 -9.467 -14.045 -2.580 1.00 0.00 O ATOM 334 CB SER A 22 -9.934 -11.402 -2.836 1.00 0.00 C ATOM 335 OG SER A 22 -9.878 -10.206 -2.069 1.00 0.00 O ATOM 0 H SER A 22 -7.590 -12.201 -4.994 1.00 0.00 H new ATOM 0 HA SER A 22 -7.840 -11.488 -2.349 1.00 0.00 H new ATOM 0 HB2 SER A 22 -10.443 -11.217 -3.782 1.00 0.00 H new ATOM 0 HB3 SER A 22 -10.512 -12.160 -2.307 1.00 0.00 H new ATOM 0 HG SER A 22 -9.648 -9.453 -2.653 1.00 0.00 H new ATOM 341 N GLY A 23 -7.430 -14.045 -3.394 1.00 0.00 N ATOM 342 CA GLY A 23 -7.354 -15.532 -3.336 1.00 0.00 C ATOM 343 C GLY A 23 -7.449 -16.000 -1.881 1.00 0.00 C ATOM 344 O GLY A 23 -7.891 -17.096 -1.600 1.00 0.00 O ATOM 0 H GLY A 23 -6.595 -13.582 -3.754 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -8.162 -15.970 -3.922 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -6.418 -15.875 -3.778 1.00 0.00 H new ATOM 348 N SER A 24 -7.035 -15.180 -0.953 1.00 0.00 N ATOM 349 CA SER A 24 -7.101 -15.584 0.481 1.00 0.00 C ATOM 350 C SER A 24 -8.540 -15.507 0.975 1.00 0.00 C ATOM 351 O SER A 24 -9.150 -16.504 1.307 1.00 0.00 O ATOM 352 CB SER A 24 -6.235 -14.643 1.323 1.00 0.00 C ATOM 353 OG SER A 24 -5.209 -14.093 0.508 1.00 0.00 O ATOM 0 H SER A 24 -6.655 -14.249 -1.125 1.00 0.00 H new ATOM 0 HA SER A 24 -6.735 -16.606 0.576 1.00 0.00 H new ATOM 0 HB2 SER A 24 -6.848 -13.846 1.744 1.00 0.00 H new ATOM 0 HB3 SER A 24 -5.798 -15.185 2.161 1.00 0.00 H new ATOM 0 HG SER A 24 -5.293 -13.117 0.490 1.00 0.00 H new ATOM 359 N GLY A 25 -9.077 -14.325 1.062 1.00 0.00 N ATOM 360 CA GLY A 25 -10.463 -14.177 1.575 1.00 0.00 C ATOM 361 C GLY A 25 -10.384 -13.981 3.087 1.00 0.00 C ATOM 362 O GLY A 25 -11.287 -13.460 3.711 1.00 0.00 O ATOM 0 H GLY A 25 -8.615 -13.454 0.800 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -10.955 -13.326 1.105 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -11.055 -15.060 1.335 1.00 0.00 H new ATOM 366 N GLU A 26 -9.290 -14.389 3.674 1.00 0.00 N ATOM 367 CA GLU A 26 -9.110 -14.228 5.141 1.00 0.00 C ATOM 368 C GLU A 26 -7.634 -13.917 5.415 1.00 0.00 C ATOM 369 O GLU A 26 -6.905 -14.759 5.901 1.00 0.00 O ATOM 370 CB GLU A 26 -9.500 -15.527 5.851 1.00 0.00 C ATOM 371 CG GLU A 26 -10.245 -15.201 7.148 1.00 0.00 C ATOM 372 CD GLU A 26 -10.915 -16.468 7.683 1.00 0.00 C ATOM 373 OE1 GLU A 26 -10.200 -17.406 7.996 1.00 0.00 O ATOM 374 OE2 GLU A 26 -12.132 -16.480 7.772 1.00 0.00 O ATOM 0 H GLU A 26 -8.507 -14.831 3.192 1.00 0.00 H new ATOM 0 HA GLU A 26 -9.740 -13.419 5.510 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -10.130 -16.133 5.201 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -8.609 -16.115 6.070 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -9.551 -14.803 7.888 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -10.994 -14.430 6.966 1.00 0.00 H new ATOM 381 N PRO A 27 -7.238 -12.715 5.080 1.00 0.00 N ATOM 382 CA PRO A 27 -5.848 -12.250 5.261 1.00 0.00 C ATOM 383 C PRO A 27 -5.590 -11.890 6.725 1.00 0.00 C ATOM 384 O PRO A 27 -5.027 -10.857 7.032 1.00 0.00 O ATOM 385 CB PRO A 27 -5.768 -11.004 4.379 1.00 0.00 C ATOM 386 CG PRO A 27 -7.220 -10.502 4.210 1.00 0.00 C ATOM 387 CD PRO A 27 -8.139 -11.704 4.494 1.00 0.00 C ATOM 0 HA PRO A 27 -5.108 -13.006 4.996 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -5.143 -10.240 4.841 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -5.322 -11.239 3.412 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -7.429 -9.684 4.899 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -7.383 -10.120 3.202 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -8.941 -11.438 5.182 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -8.610 -12.070 3.582 1.00 0.00 H new ATOM 395 N ASN A 28 -5.997 -12.732 7.626 1.00 0.00 N ATOM 396 CA ASN A 28 -5.778 -12.443 9.073 1.00 0.00 C ATOM 397 C ASN A 28 -5.055 -13.622 9.727 1.00 0.00 C ATOM 398 O ASN A 28 -5.071 -13.779 10.932 1.00 0.00 O ATOM 399 CB ASN A 28 -7.127 -12.228 9.762 1.00 0.00 C ATOM 400 CG ASN A 28 -7.466 -10.736 9.771 1.00 0.00 C ATOM 401 OD1 ASN A 28 -8.198 -10.262 8.926 1.00 0.00 O ATOM 402 ND2 ASN A 28 -6.959 -9.969 10.699 1.00 0.00 N ATOM 0 H ASN A 28 -6.474 -13.612 7.427 1.00 0.00 H new ATOM 0 HA ASN A 28 -5.171 -11.543 9.174 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -7.906 -12.785 9.241 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -7.091 -12.609 10.782 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -7.178 -8.973 10.713 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -6.344 -10.366 11.409 1.00 0.00 H new ATOM 409 N ARG A 29 -4.422 -14.449 8.945 1.00 0.00 N ATOM 410 CA ARG A 29 -3.699 -15.616 9.526 1.00 0.00 C ATOM 411 C ARG A 29 -2.215 -15.526 9.164 1.00 0.00 C ATOM 412 O ARG A 29 -1.351 -15.702 9.999 1.00 0.00 O ATOM 413 CB ARG A 29 -4.283 -16.912 8.959 1.00 0.00 C ATOM 414 CG ARG A 29 -4.383 -17.958 10.072 1.00 0.00 C ATOM 415 CD ARG A 29 -3.109 -18.804 10.090 1.00 0.00 C ATOM 416 NE ARG A 29 -3.417 -20.174 9.589 1.00 0.00 N ATOM 417 CZ ARG A 29 -2.479 -21.077 9.540 1.00 0.00 C ATOM 418 NH1 ARG A 29 -1.796 -21.367 10.615 1.00 0.00 N ATOM 419 NH2 ARG A 29 -2.219 -21.690 8.418 1.00 0.00 N ATOM 0 H ARG A 29 -4.373 -14.369 7.929 1.00 0.00 H new ATOM 0 HA ARG A 29 -3.811 -15.610 10.610 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -5.269 -16.723 8.533 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -3.653 -17.284 8.151 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -4.521 -17.468 11.036 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -5.253 -18.594 9.911 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -2.343 -18.341 9.468 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -2.708 -18.857 11.102 1.00 0.00 H new ATOM 0 HE ARG A 29 -4.363 -20.405 9.284 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -1.997 -20.887 11.492 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -1.062 -22.074 10.577 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -2.750 -21.463 7.578 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -1.484 -22.397 8.381 1.00 0.00 H new ATOM 433 N ASN A 30 -1.915 -15.254 7.924 1.00 0.00 N ATOM 434 CA ASN A 30 -0.487 -15.155 7.506 1.00 0.00 C ATOM 435 C ASN A 30 -0.366 -14.168 6.343 1.00 0.00 C ATOM 436 O ASN A 30 -1.304 -13.477 6.001 1.00 0.00 O ATOM 437 CB ASN A 30 0.008 -16.532 7.058 1.00 0.00 C ATOM 438 CG ASN A 30 0.783 -17.193 8.199 1.00 0.00 C ATOM 439 OD1 ASN A 30 0.430 -18.266 8.646 1.00 0.00 O ATOM 440 ND2 ASN A 30 1.830 -16.593 8.692 1.00 0.00 N ATOM 0 H ASN A 30 -2.596 -15.096 7.182 1.00 0.00 H new ATOM 0 HA ASN A 30 0.116 -14.806 8.345 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -0.837 -17.157 6.768 1.00 0.00 H new ATOM 0 HB3 ASN A 30 0.647 -16.433 6.180 1.00 0.00 H new ATOM 0 HD21 ASN A 30 2.354 -17.024 9.454 1.00 0.00 H new ATOM 0 HD22 ASN A 30 2.126 -15.692 8.316 1.00 0.00 H new ATOM 447 N LYS A 31 0.784 -14.098 5.730 1.00 0.00 N ATOM 448 CA LYS A 31 0.959 -13.160 4.589 1.00 0.00 C ATOM 449 C LYS A 31 0.318 -13.761 3.339 1.00 0.00 C ATOM 450 O LYS A 31 0.506 -14.921 3.030 1.00 0.00 O ATOM 451 CB LYS A 31 2.450 -12.927 4.339 1.00 0.00 C ATOM 452 CG LYS A 31 3.131 -14.261 4.022 1.00 0.00 C ATOM 453 CD LYS A 31 4.637 -14.040 3.884 1.00 0.00 C ATOM 454 CE LYS A 31 5.364 -15.381 3.998 1.00 0.00 C ATOM 455 NZ LYS A 31 6.823 -15.140 4.169 1.00 0.00 N ATOM 0 H LYS A 31 1.608 -14.649 5.971 1.00 0.00 H new ATOM 0 HA LYS A 31 0.481 -12.209 4.823 1.00 0.00 H new ATOM 0 HB2 LYS A 31 2.586 -12.232 3.511 1.00 0.00 H new ATOM 0 HB3 LYS A 31 2.910 -12.472 5.216 1.00 0.00 H new ATOM 0 HG2 LYS A 31 2.929 -14.983 4.814 1.00 0.00 H new ATOM 0 HG3 LYS A 31 2.727 -14.678 3.100 1.00 0.00 H new ATOM 0 HD2 LYS A 31 4.860 -13.574 2.924 1.00 0.00 H new ATOM 0 HD3 LYS A 31 4.987 -13.358 4.659 1.00 0.00 H new ATOM 0 HE2 LYS A 31 4.976 -15.947 4.845 1.00 0.00 H new ATOM 0 HE3 LYS A 31 5.186 -15.981 3.106 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 7.319 -16.051 4.247 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 7.187 -14.617 3.347 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 6.984 -14.584 5.033 1.00 0.00 H new ATOM 469 N VAL A 32 -0.440 -12.983 2.616 1.00 0.00 N ATOM 470 CA VAL A 32 -1.093 -13.514 1.387 1.00 0.00 C ATOM 471 C VAL A 32 -0.561 -12.770 0.162 1.00 0.00 C ATOM 472 O VAL A 32 -0.994 -12.994 -0.951 1.00 0.00 O ATOM 473 CB VAL A 32 -2.604 -13.310 1.485 1.00 0.00 C ATOM 474 CG1 VAL A 32 -3.123 -13.966 2.764 1.00 0.00 C ATOM 475 CG2 VAL A 32 -2.911 -11.810 1.520 1.00 0.00 C ATOM 0 H VAL A 32 -0.635 -12.003 2.823 1.00 0.00 H new ATOM 0 HA VAL A 32 -0.872 -14.577 1.291 1.00 0.00 H new ATOM 0 HB VAL A 32 -3.091 -13.762 0.621 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -4.201 -13.821 2.836 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -2.901 -15.033 2.742 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -2.638 -13.512 3.628 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -3.988 -11.661 1.590 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -2.425 -11.359 2.385 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -2.538 -11.341 0.610 1.00 0.00 H new ATOM 485 N ALA A 33 0.378 -11.890 0.358 1.00 0.00 N ATOM 486 CA ALA A 33 0.940 -11.134 -0.792 1.00 0.00 C ATOM 487 C ALA A 33 2.299 -10.558 -0.399 1.00 0.00 C ATOM 488 O ALA A 33 2.440 -9.913 0.622 1.00 0.00 O ATOM 489 CB ALA A 33 -0.009 -9.997 -1.171 1.00 0.00 C ATOM 0 H ALA A 33 0.781 -11.661 1.267 1.00 0.00 H new ATOM 0 HA ALA A 33 1.059 -11.801 -1.645 1.00 0.00 H new ATOM 0 HB1 ALA A 33 0.405 -9.444 -2.014 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -0.979 -10.410 -1.448 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -0.130 -9.326 -0.321 1.00 0.00 H new ATOM 495 N THR A 34 3.302 -10.788 -1.199 1.00 0.00 N ATOM 496 CA THR A 34 4.651 -10.254 -0.871 1.00 0.00 C ATOM 497 C THR A 34 5.250 -9.594 -2.111 1.00 0.00 C ATOM 498 O THR A 34 5.272 -10.165 -3.184 1.00 0.00 O ATOM 499 CB THR A 34 5.555 -11.402 -0.414 1.00 0.00 C ATOM 500 OG1 THR A 34 4.872 -12.181 0.558 1.00 0.00 O ATOM 501 CG2 THR A 34 6.839 -10.834 0.193 1.00 0.00 C ATOM 0 H THR A 34 3.245 -11.323 -2.066 1.00 0.00 H new ATOM 0 HA THR A 34 4.568 -9.517 -0.072 1.00 0.00 H new ATOM 0 HB THR A 34 5.808 -12.028 -1.269 1.00 0.00 H new ATOM 0 HG1 THR A 34 5.448 -12.917 0.851 1.00 0.00 H new ATOM 0 HG21 THR A 34 7.481 -11.653 0.518 1.00 0.00 H new ATOM 0 HG22 THR A 34 7.362 -10.237 -0.554 1.00 0.00 H new ATOM 0 HG23 THR A 34 6.590 -10.207 1.049 1.00 0.00 H new ATOM 509 N ILE A 35 5.738 -8.394 -1.972 1.00 0.00 N ATOM 510 CA ILE A 35 6.336 -7.692 -3.141 1.00 0.00 C ATOM 511 C ILE A 35 7.663 -7.068 -2.722 1.00 0.00 C ATOM 512 O ILE A 35 7.935 -6.892 -1.555 1.00 0.00 O ATOM 513 CB ILE A 35 5.390 -6.588 -3.617 1.00 0.00 C ATOM 514 CG1 ILE A 35 4.674 -5.978 -2.410 1.00 0.00 C ATOM 515 CG2 ILE A 35 4.355 -7.179 -4.576 1.00 0.00 C ATOM 516 CD1 ILE A 35 4.317 -4.520 -2.708 1.00 0.00 C ATOM 0 H ILE A 35 5.749 -7.868 -1.098 1.00 0.00 H new ATOM 0 HA ILE A 35 6.498 -8.404 -3.950 1.00 0.00 H new ATOM 0 HB ILE A 35 5.962 -5.816 -4.132 1.00 0.00 H new ATOM 0 HG12 ILE A 35 3.771 -6.545 -2.185 1.00 0.00 H new ATOM 0 HG13 ILE A 35 5.313 -6.034 -1.529 1.00 0.00 H new ATOM 0 HG21 ILE A 35 3.681 -6.392 -4.915 1.00 0.00 H new ATOM 0 HG22 ILE A 35 4.863 -7.616 -5.435 1.00 0.00 H new ATOM 0 HG23 ILE A 35 3.782 -7.951 -4.062 1.00 0.00 H new ATOM 0 HD11 ILE A 35 3.807 -4.087 -1.847 1.00 0.00 H new ATOM 0 HD12 ILE A 35 5.228 -3.957 -2.911 1.00 0.00 H new ATOM 0 HD13 ILE A 35 3.662 -4.476 -3.578 1.00 0.00 H new ATOM 528 N LYS A 36 8.492 -6.727 -3.657 1.00 0.00 N ATOM 529 CA LYS A 36 9.789 -6.109 -3.288 1.00 0.00 C ATOM 530 C LYS A 36 9.593 -4.598 -3.153 1.00 0.00 C ATOM 531 O LYS A 36 8.505 -4.089 -3.330 1.00 0.00 O ATOM 532 CB LYS A 36 10.825 -6.404 -4.374 1.00 0.00 C ATOM 533 CG LYS A 36 12.203 -6.579 -3.736 1.00 0.00 C ATOM 534 CD LYS A 36 13.278 -6.072 -4.701 1.00 0.00 C ATOM 535 CE LYS A 36 13.576 -7.148 -5.746 1.00 0.00 C ATOM 536 NZ LYS A 36 14.966 -7.652 -5.559 1.00 0.00 N ATOM 0 H LYS A 36 8.331 -6.848 -4.657 1.00 0.00 H new ATOM 0 HA LYS A 36 10.142 -6.520 -2.342 1.00 0.00 H new ATOM 0 HB2 LYS A 36 10.548 -7.307 -4.919 1.00 0.00 H new ATOM 0 HB3 LYS A 36 10.849 -5.590 -5.098 1.00 0.00 H new ATOM 0 HG2 LYS A 36 12.253 -6.029 -2.796 1.00 0.00 H new ATOM 0 HG3 LYS A 36 12.376 -7.629 -3.500 1.00 0.00 H new ATOM 0 HD2 LYS A 36 12.940 -5.159 -5.191 1.00 0.00 H new ATOM 0 HD3 LYS A 36 14.186 -5.822 -4.152 1.00 0.00 H new ATOM 0 HE2 LYS A 36 12.865 -7.968 -5.652 1.00 0.00 H new ATOM 0 HE3 LYS A 36 13.458 -6.738 -6.749 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 15.169 -8.384 -6.270 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 15.638 -6.866 -5.670 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 15.063 -8.058 -4.607 1.00 0.00 H new ATOM 550 N ARG A 37 10.632 -3.874 -2.847 1.00 0.00 N ATOM 551 CA ARG A 37 10.485 -2.400 -2.713 1.00 0.00 C ATOM 552 C ARG A 37 10.051 -1.813 -4.057 1.00 0.00 C ATOM 553 O ARG A 37 9.626 -0.680 -4.147 1.00 0.00 O ATOM 554 CB ARG A 37 11.823 -1.785 -2.291 1.00 0.00 C ATOM 555 CG ARG A 37 11.612 -0.321 -1.905 1.00 0.00 C ATOM 556 CD ARG A 37 12.970 0.352 -1.697 1.00 0.00 C ATOM 557 NE ARG A 37 13.400 1.005 -2.966 1.00 0.00 N ATOM 558 CZ ARG A 37 14.595 1.517 -3.063 1.00 0.00 C ATOM 559 NH1 ARG A 37 15.188 1.998 -2.005 1.00 0.00 N ATOM 560 NH2 ARG A 37 15.199 1.548 -4.221 1.00 0.00 N ATOM 0 H ARG A 37 11.571 -4.237 -2.685 1.00 0.00 H new ATOM 0 HA ARG A 37 9.733 -2.175 -1.956 1.00 0.00 H new ATOM 0 HB2 ARG A 37 12.240 -2.338 -1.449 1.00 0.00 H new ATOM 0 HB3 ARG A 37 12.542 -1.857 -3.107 1.00 0.00 H new ATOM 0 HG2 ARG A 37 11.054 0.195 -2.686 1.00 0.00 H new ATOM 0 HG3 ARG A 37 11.018 -0.256 -0.993 1.00 0.00 H new ATOM 0 HD2 ARG A 37 12.903 1.092 -0.899 1.00 0.00 H new ATOM 0 HD3 ARG A 37 13.710 -0.386 -1.386 1.00 0.00 H new ATOM 0 HE ARG A 37 12.759 1.051 -3.758 1.00 0.00 H new ATOM 0 HH11 ARG A 37 14.717 1.974 -1.101 1.00 0.00 H new ATOM 0 HH12 ARG A 37 16.123 2.398 -2.082 1.00 0.00 H new ATOM 0 HH21 ARG A 37 14.736 1.172 -5.048 1.00 0.00 H new ATOM 0 HH22 ARG A 37 16.134 1.948 -4.298 1.00 0.00 H new ATOM 574 N ASP A 38 10.158 -2.583 -5.101 1.00 0.00 N ATOM 575 CA ASP A 38 9.757 -2.085 -6.448 1.00 0.00 C ATOM 576 C ASP A 38 8.278 -1.688 -6.439 1.00 0.00 C ATOM 577 O ASP A 38 7.878 -0.746 -7.092 1.00 0.00 O ATOM 578 CB ASP A 38 9.979 -3.187 -7.484 1.00 0.00 C ATOM 579 CG ASP A 38 9.804 -2.609 -8.891 1.00 0.00 C ATOM 580 OD1 ASP A 38 10.619 -1.787 -9.276 1.00 0.00 O ATOM 581 OD2 ASP A 38 8.860 -2.998 -9.557 1.00 0.00 O ATOM 0 H ASP A 38 10.507 -3.541 -5.081 1.00 0.00 H new ATOM 0 HA ASP A 38 10.361 -1.214 -6.702 1.00 0.00 H new ATOM 0 HB2 ASP A 38 10.978 -3.608 -7.374 1.00 0.00 H new ATOM 0 HB3 ASP A 38 9.271 -4.000 -7.323 1.00 0.00 H new ATOM 586 N LYS A 39 7.462 -2.401 -5.713 1.00 0.00 N ATOM 587 CA LYS A 39 6.011 -2.064 -5.679 1.00 0.00 C ATOM 588 C LYS A 39 5.758 -0.946 -4.674 1.00 0.00 C ATOM 589 O LYS A 39 5.181 0.072 -4.998 1.00 0.00 O ATOM 590 CB LYS A 39 5.229 -3.289 -5.243 1.00 0.00 C ATOM 591 CG LYS A 39 4.529 -3.908 -6.456 1.00 0.00 C ATOM 592 CD LYS A 39 5.536 -4.075 -7.595 1.00 0.00 C ATOM 593 CE LYS A 39 5.643 -5.554 -7.973 1.00 0.00 C ATOM 594 NZ LYS A 39 6.182 -5.678 -9.357 1.00 0.00 N ATOM 0 H LYS A 39 7.736 -3.201 -5.143 1.00 0.00 H new ATOM 0 HA LYS A 39 5.697 -1.741 -6.672 1.00 0.00 H new ATOM 0 HB2 LYS A 39 5.899 -4.017 -4.786 1.00 0.00 H new ATOM 0 HB3 LYS A 39 4.494 -3.014 -4.487 1.00 0.00 H new ATOM 0 HG2 LYS A 39 4.102 -4.875 -6.189 1.00 0.00 H new ATOM 0 HG3 LYS A 39 3.703 -3.273 -6.776 1.00 0.00 H new ATOM 0 HD2 LYS A 39 5.223 -3.490 -8.460 1.00 0.00 H new ATOM 0 HD3 LYS A 39 6.511 -3.696 -7.290 1.00 0.00 H new ATOM 0 HE2 LYS A 39 6.295 -6.073 -7.270 1.00 0.00 H new ATOM 0 HE3 LYS A 39 4.663 -6.028 -7.909 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 6.254 -6.684 -9.613 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 5.544 -5.197 -10.022 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 7.124 -5.241 -9.403 1.00 0.00 H new ATOM 608 N VAL A 40 6.195 -1.117 -3.459 1.00 0.00 N ATOM 609 CA VAL A 40 5.978 -0.047 -2.453 1.00 0.00 C ATOM 610 C VAL A 40 6.732 1.185 -2.928 1.00 0.00 C ATOM 611 O VAL A 40 6.481 2.293 -2.496 1.00 0.00 O ATOM 612 CB VAL A 40 6.524 -0.492 -1.095 1.00 0.00 C ATOM 613 CG1 VAL A 40 6.632 0.717 -0.164 1.00 0.00 C ATOM 614 CG2 VAL A 40 5.576 -1.522 -0.480 1.00 0.00 C ATOM 0 H VAL A 40 6.688 -1.944 -3.123 1.00 0.00 H new ATOM 0 HA VAL A 40 4.915 0.167 -2.344 1.00 0.00 H new ATOM 0 HB VAL A 40 7.511 -0.936 -1.229 1.00 0.00 H new ATOM 0 HG11 VAL A 40 7.021 0.398 0.803 1.00 0.00 H new ATOM 0 HG12 VAL A 40 7.306 1.454 -0.601 1.00 0.00 H new ATOM 0 HG13 VAL A 40 5.646 1.162 -0.029 1.00 0.00 H new ATOM 0 HG21 VAL A 40 5.963 -1.841 0.488 1.00 0.00 H new ATOM 0 HG22 VAL A 40 4.590 -1.076 -0.348 1.00 0.00 H new ATOM 0 HG23 VAL A 40 5.498 -2.385 -1.141 1.00 0.00 H new ATOM 624 N ARG A 41 7.639 0.997 -3.846 1.00 0.00 N ATOM 625 CA ARG A 41 8.391 2.160 -4.385 1.00 0.00 C ATOM 626 C ARG A 41 7.460 2.943 -5.310 1.00 0.00 C ATOM 627 O ARG A 41 7.136 4.089 -5.066 1.00 0.00 O ATOM 628 CB ARG A 41 9.611 1.674 -5.173 1.00 0.00 C ATOM 629 CG ARG A 41 10.224 2.848 -5.941 1.00 0.00 C ATOM 630 CD ARG A 41 11.684 3.030 -5.521 1.00 0.00 C ATOM 631 NE ARG A 41 12.251 4.229 -6.203 1.00 0.00 N ATOM 632 CZ ARG A 41 12.636 5.259 -5.500 1.00 0.00 C ATOM 633 NH1 ARG A 41 11.851 5.752 -4.580 1.00 0.00 N ATOM 634 NH2 ARG A 41 13.807 5.796 -5.714 1.00 0.00 N ATOM 0 H ARG A 41 7.890 0.092 -4.244 1.00 0.00 H new ATOM 0 HA ARG A 41 8.735 2.794 -3.568 1.00 0.00 H new ATOM 0 HB2 ARG A 41 10.348 1.245 -4.494 1.00 0.00 H new ATOM 0 HB3 ARG A 41 9.319 0.885 -5.866 1.00 0.00 H new ATOM 0 HG2 ARG A 41 10.164 2.665 -7.014 1.00 0.00 H new ATOM 0 HG3 ARG A 41 9.661 3.760 -5.741 1.00 0.00 H new ATOM 0 HD2 ARG A 41 11.751 3.148 -4.439 1.00 0.00 H new ATOM 0 HD3 ARG A 41 12.262 2.143 -5.781 1.00 0.00 H new ATOM 0 HE ARG A 41 12.338 4.244 -7.219 1.00 0.00 H new ATOM 0 HH11 ARG A 41 10.937 5.332 -4.411 1.00 0.00 H new ATOM 0 HH12 ARG A 41 12.152 6.557 -4.031 1.00 0.00 H new ATOM 0 HH21 ARG A 41 14.422 5.410 -6.431 1.00 0.00 H new ATOM 0 HH22 ARG A 41 14.107 6.601 -5.164 1.00 0.00 H new ATOM 648 N GLU A 42 7.011 2.316 -6.362 1.00 0.00 N ATOM 649 CA GLU A 42 6.080 2.995 -7.306 1.00 0.00 C ATOM 650 C GLU A 42 4.765 3.279 -6.583 1.00 0.00 C ATOM 651 O GLU A 42 4.280 4.392 -6.554 1.00 0.00 O ATOM 652 CB GLU A 42 5.819 2.082 -8.509 1.00 0.00 C ATOM 653 CG GLU A 42 4.638 2.620 -9.321 1.00 0.00 C ATOM 654 CD GLU A 42 5.109 2.983 -10.731 1.00 0.00 C ATOM 655 OE1 GLU A 42 5.529 2.085 -11.444 1.00 0.00 O ATOM 656 OE2 GLU A 42 5.043 4.150 -11.074 1.00 0.00 O ATOM 0 H GLU A 42 7.251 1.356 -6.610 1.00 0.00 H new ATOM 0 HA GLU A 42 6.519 3.930 -7.654 1.00 0.00 H new ATOM 0 HB2 GLU A 42 6.709 2.028 -9.136 1.00 0.00 H new ATOM 0 HB3 GLU A 42 5.607 1.068 -8.169 1.00 0.00 H new ATOM 0 HG2 GLU A 42 3.847 1.871 -9.372 1.00 0.00 H new ATOM 0 HG3 GLU A 42 4.216 3.497 -8.831 1.00 0.00 H new ATOM 663 N ILE A 43 4.192 2.266 -6.000 1.00 0.00 N ATOM 664 CA ILE A 43 2.909 2.438 -5.268 1.00 0.00 C ATOM 665 C ILE A 43 2.967 3.707 -4.421 1.00 0.00 C ATOM 666 O ILE A 43 2.156 4.599 -4.569 1.00 0.00 O ATOM 667 CB ILE A 43 2.696 1.217 -4.369 1.00 0.00 C ATOM 668 CG1 ILE A 43 2.225 0.039 -5.225 1.00 0.00 C ATOM 669 CG2 ILE A 43 1.643 1.522 -3.300 1.00 0.00 C ATOM 670 CD1 ILE A 43 0.786 0.281 -5.685 1.00 0.00 C ATOM 0 H ILE A 43 4.562 1.316 -5.999 1.00 0.00 H new ATOM 0 HA ILE A 43 2.082 2.527 -5.973 1.00 0.00 H new ATOM 0 HB ILE A 43 3.636 0.968 -3.877 1.00 0.00 H new ATOM 0 HG12 ILE A 43 2.879 -0.080 -6.089 1.00 0.00 H new ATOM 0 HG13 ILE A 43 2.283 -0.886 -4.652 1.00 0.00 H new ATOM 0 HG21 ILE A 43 1.502 0.645 -2.668 1.00 0.00 H new ATOM 0 HG22 ILE A 43 1.977 2.360 -2.688 1.00 0.00 H new ATOM 0 HG23 ILE A 43 0.699 1.778 -3.782 1.00 0.00 H new ATOM 0 HD11 ILE A 43 0.453 -0.559 -6.294 1.00 0.00 H new ATOM 0 HD12 ILE A 43 0.137 0.378 -4.815 1.00 0.00 H new ATOM 0 HD13 ILE A 43 0.742 1.197 -6.274 1.00 0.00 H new ATOM 682 N ALA A 44 3.917 3.802 -3.534 1.00 0.00 N ATOM 683 CA ALA A 44 4.012 5.021 -2.690 1.00 0.00 C ATOM 684 C ALA A 44 4.195 6.233 -3.602 1.00 0.00 C ATOM 685 O ALA A 44 3.687 7.302 -3.338 1.00 0.00 O ATOM 686 CB ALA A 44 5.209 4.897 -1.746 1.00 0.00 C ATOM 0 H ALA A 44 4.628 3.092 -3.359 1.00 0.00 H new ATOM 0 HA ALA A 44 3.105 5.138 -2.097 1.00 0.00 H new ATOM 0 HB1 ALA A 44 5.278 5.791 -1.127 1.00 0.00 H new ATOM 0 HB2 ALA A 44 5.080 4.023 -1.108 1.00 0.00 H new ATOM 0 HB3 ALA A 44 6.123 4.788 -2.330 1.00 0.00 H new ATOM 692 N GLU A 45 4.911 6.069 -4.680 1.00 0.00 N ATOM 693 CA GLU A 45 5.122 7.208 -5.615 1.00 0.00 C ATOM 694 C GLU A 45 3.779 7.678 -6.167 1.00 0.00 C ATOM 695 O GLU A 45 3.476 8.855 -6.176 1.00 0.00 O ATOM 696 CB GLU A 45 6.022 6.765 -6.769 1.00 0.00 C ATOM 697 CG GLU A 45 7.487 6.939 -6.369 1.00 0.00 C ATOM 698 CD GLU A 45 8.387 6.360 -7.462 1.00 0.00 C ATOM 699 OE1 GLU A 45 8.692 5.181 -7.389 1.00 0.00 O ATOM 700 OE2 GLU A 45 8.755 7.106 -8.354 1.00 0.00 O ATOM 0 H GLU A 45 5.359 5.194 -4.953 1.00 0.00 H new ATOM 0 HA GLU A 45 5.598 8.029 -5.078 1.00 0.00 H new ATOM 0 HB2 GLU A 45 5.824 5.723 -7.019 1.00 0.00 H new ATOM 0 HB3 GLU A 45 5.805 7.354 -7.660 1.00 0.00 H new ATOM 0 HG2 GLU A 45 7.711 7.995 -6.220 1.00 0.00 H new ATOM 0 HG3 GLU A 45 7.678 6.436 -5.421 1.00 0.00 H new ATOM 707 N LEU A 46 2.974 6.768 -6.632 1.00 0.00 N ATOM 708 CA LEU A 46 1.649 7.159 -7.192 1.00 0.00 C ATOM 709 C LEU A 46 0.755 7.703 -6.074 1.00 0.00 C ATOM 710 O LEU A 46 0.224 8.790 -6.172 1.00 0.00 O ATOM 711 CB LEU A 46 0.986 5.944 -7.842 1.00 0.00 C ATOM 712 CG LEU A 46 1.273 5.958 -9.344 1.00 0.00 C ATOM 713 CD1 LEU A 46 0.640 4.730 -9.999 1.00 0.00 C ATOM 714 CD2 LEU A 46 0.683 7.228 -9.962 1.00 0.00 C ATOM 0 H LEU A 46 3.174 5.768 -6.650 1.00 0.00 H new ATOM 0 HA LEU A 46 1.791 7.935 -7.944 1.00 0.00 H new ATOM 0 HB2 LEU A 46 1.366 5.025 -7.396 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -0.089 5.963 -7.665 1.00 0.00 H new ATOM 0 HG LEU A 46 2.350 5.939 -9.508 1.00 0.00 H new ATOM 0 HD11 LEU A 46 0.846 4.742 -11.069 1.00 0.00 H new ATOM 0 HD12 LEU A 46 1.060 3.826 -9.559 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -0.438 4.746 -9.836 1.00 0.00 H new ATOM 0 HD21 LEU A 46 0.886 7.240 -11.033 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -0.394 7.246 -9.797 1.00 0.00 H new ATOM 0 HD23 LEU A 46 1.136 8.103 -9.497 1.00 0.00 H new ATOM 726 N LYS A 47 0.579 6.955 -5.016 1.00 0.00 N ATOM 727 CA LYS A 47 -0.280 7.441 -3.893 1.00 0.00 C ATOM 728 C LYS A 47 0.518 8.403 -2.998 1.00 0.00 C ATOM 729 O LYS A 47 0.096 8.740 -1.910 1.00 0.00 O ATOM 730 CB LYS A 47 -0.767 6.257 -3.053 1.00 0.00 C ATOM 731 CG LYS A 47 -0.900 5.008 -3.930 1.00 0.00 C ATOM 732 CD LYS A 47 -1.741 5.334 -5.167 1.00 0.00 C ATOM 733 CE LYS A 47 -1.415 4.341 -6.281 1.00 0.00 C ATOM 734 NZ LYS A 47 -2.351 4.549 -7.422 1.00 0.00 N ATOM 0 H LYS A 47 0.991 6.032 -4.880 1.00 0.00 H new ATOM 0 HA LYS A 47 -1.139 7.964 -4.313 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -0.067 6.066 -2.239 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -1.728 6.495 -2.598 1.00 0.00 H new ATOM 0 HG2 LYS A 47 0.087 4.657 -4.231 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -1.366 4.202 -3.363 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -2.802 5.286 -4.922 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -1.537 6.351 -5.501 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -0.385 4.475 -6.612 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -1.500 3.320 -5.909 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -2.129 3.873 -8.181 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -3.329 4.400 -7.100 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -2.249 5.519 -7.782 1.00 0.00 H new ATOM 748 N MET A 48 1.675 8.830 -3.435 1.00 0.00 N ATOM 749 CA MET A 48 2.507 9.747 -2.597 1.00 0.00 C ATOM 750 C MET A 48 1.883 11.149 -2.530 1.00 0.00 C ATOM 751 O MET A 48 1.687 11.679 -1.455 1.00 0.00 O ATOM 752 CB MET A 48 3.913 9.851 -3.192 1.00 0.00 C ATOM 753 CG MET A 48 4.929 9.297 -2.191 1.00 0.00 C ATOM 754 SD MET A 48 5.188 10.501 -0.867 1.00 0.00 S ATOM 755 CE MET A 48 6.087 11.725 -1.849 1.00 0.00 C ATOM 0 H MET A 48 2.081 8.583 -4.338 1.00 0.00 H new ATOM 0 HA MET A 48 2.556 9.338 -1.588 1.00 0.00 H new ATOM 0 HB2 MET A 48 3.966 9.294 -4.127 1.00 0.00 H new ATOM 0 HB3 MET A 48 4.145 10.890 -3.426 1.00 0.00 H new ATOM 0 HG2 MET A 48 4.570 8.355 -1.776 1.00 0.00 H new ATOM 0 HG3 MET A 48 5.872 9.085 -2.694 1.00 0.00 H new ATOM 0 HE1 MET A 48 6.903 12.139 -1.256 1.00 0.00 H new ATOM 0 HE2 MET A 48 6.492 11.249 -2.742 1.00 0.00 H new ATOM 0 HE3 MET A 48 5.408 12.526 -2.141 1.00 0.00 H new ATOM 765 N PRO A 49 1.596 11.714 -3.677 1.00 0.00 N ATOM 766 CA PRO A 49 1.004 13.062 -3.762 1.00 0.00 C ATOM 767 C PRO A 49 -0.463 13.029 -3.330 1.00 0.00 C ATOM 768 O PRO A 49 -1.354 13.392 -4.072 1.00 0.00 O ATOM 769 CB PRO A 49 1.158 13.433 -5.239 1.00 0.00 C ATOM 770 CG PRO A 49 1.318 12.102 -6.009 1.00 0.00 C ATOM 771 CD PRO A 49 1.821 11.067 -4.984 1.00 0.00 C ATOM 0 HA PRO A 49 1.483 13.789 -3.107 1.00 0.00 H new ATOM 0 HB2 PRO A 49 0.287 13.985 -5.594 1.00 0.00 H new ATOM 0 HB3 PRO A 49 2.026 14.076 -5.390 1.00 0.00 H new ATOM 0 HG2 PRO A 49 0.369 11.788 -6.445 1.00 0.00 H new ATOM 0 HG3 PRO A 49 2.026 12.211 -6.831 1.00 0.00 H new ATOM 0 HD2 PRO A 49 1.272 10.128 -5.064 1.00 0.00 H new ATOM 0 HD3 PRO A 49 2.875 10.834 -5.137 1.00 0.00 H new ATOM 779 N ASP A 50 -0.708 12.598 -2.122 1.00 0.00 N ATOM 780 CA ASP A 50 -2.102 12.535 -1.599 1.00 0.00 C ATOM 781 C ASP A 50 -2.082 11.843 -0.234 1.00 0.00 C ATOM 782 O ASP A 50 -2.888 12.123 0.631 1.00 0.00 O ATOM 783 CB ASP A 50 -2.982 11.732 -2.559 1.00 0.00 C ATOM 784 CG ASP A 50 -4.404 12.296 -2.540 1.00 0.00 C ATOM 785 OD1 ASP A 50 -4.609 13.309 -1.892 1.00 0.00 O ATOM 786 OD2 ASP A 50 -5.263 11.705 -3.172 1.00 0.00 O ATOM 0 H ASP A 50 0.008 12.283 -1.468 1.00 0.00 H new ATOM 0 HA ASP A 50 -2.505 13.544 -1.506 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -2.574 11.779 -3.569 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -2.992 10.682 -2.268 1.00 0.00 H new ATOM 791 N LEU A 51 -1.158 10.942 -0.038 1.00 0.00 N ATOM 792 CA LEU A 51 -1.065 10.224 1.264 1.00 0.00 C ATOM 793 C LEU A 51 -0.476 11.159 2.324 1.00 0.00 C ATOM 794 O LEU A 51 -0.031 12.250 2.025 1.00 0.00 O ATOM 795 CB LEU A 51 -0.153 9.007 1.096 1.00 0.00 C ATOM 796 CG LEU A 51 -0.421 8.003 2.216 1.00 0.00 C ATOM 797 CD1 LEU A 51 -0.594 6.606 1.618 1.00 0.00 C ATOM 798 CD2 LEU A 51 0.766 8.000 3.184 1.00 0.00 C ATOM 0 H LEU A 51 -0.459 10.671 -0.729 1.00 0.00 H new ATOM 0 HA LEU A 51 -2.058 9.903 1.579 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -0.328 8.540 0.127 1.00 0.00 H new ATOM 0 HB3 LEU A 51 0.892 9.318 1.116 1.00 0.00 H new ATOM 0 HG LEU A 51 -1.329 8.283 2.750 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -0.785 5.889 2.417 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -1.435 6.609 0.924 1.00 0.00 H new ATOM 0 HD13 LEU A 51 0.314 6.323 1.086 1.00 0.00 H new ATOM 0 HD21 LEU A 51 0.580 7.285 3.986 1.00 0.00 H new ATOM 0 HD22 LEU A 51 1.672 7.717 2.648 1.00 0.00 H new ATOM 0 HD23 LEU A 51 0.892 8.996 3.608 1.00 0.00 H new ATOM 810 N ASN A 52 -0.464 10.737 3.559 1.00 0.00 N ATOM 811 CA ASN A 52 0.101 11.598 4.637 1.00 0.00 C ATOM 812 C ASN A 52 1.559 11.205 4.885 1.00 0.00 C ATOM 813 O ASN A 52 2.018 11.156 6.008 1.00 0.00 O ATOM 814 CB ASN A 52 -0.703 11.403 5.925 1.00 0.00 C ATOM 815 CG ASN A 52 -1.902 12.352 5.931 1.00 0.00 C ATOM 816 OD1 ASN A 52 -2.829 12.184 5.164 1.00 0.00 O ATOM 817 ND2 ASN A 52 -1.926 13.350 6.773 1.00 0.00 N ATOM 0 H ASN A 52 -0.821 9.833 3.868 1.00 0.00 H new ATOM 0 HA ASN A 52 0.048 12.643 4.332 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -1.044 10.370 6.000 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -0.071 11.594 6.792 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -2.722 13.987 6.786 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -1.148 13.492 7.418 1.00 0.00 H new ATOM 824 N ALA A 53 2.289 10.919 3.842 1.00 0.00 N ATOM 825 CA ALA A 53 3.715 10.523 4.013 1.00 0.00 C ATOM 826 C ALA A 53 4.542 11.740 4.435 1.00 0.00 C ATOM 827 O ALA A 53 4.026 12.698 4.978 1.00 0.00 O ATOM 828 CB ALA A 53 4.252 9.976 2.689 1.00 0.00 C ATOM 0 H ALA A 53 1.959 10.943 2.877 1.00 0.00 H new ATOM 0 HA ALA A 53 3.787 9.755 4.783 1.00 0.00 H new ATOM 0 HB1 ALA A 53 5.295 9.686 2.812 1.00 0.00 H new ATOM 0 HB2 ALA A 53 3.666 9.107 2.390 1.00 0.00 H new ATOM 0 HB3 ALA A 53 4.178 10.745 1.921 1.00 0.00 H new ATOM 834 N ALA A 54 5.822 11.709 4.185 1.00 0.00 N ATOM 835 CA ALA A 54 6.691 12.859 4.566 1.00 0.00 C ATOM 836 C ALA A 54 7.749 13.062 3.481 1.00 0.00 C ATOM 837 O ALA A 54 8.071 14.175 3.113 1.00 0.00 O ATOM 838 CB ALA A 54 7.376 12.564 5.902 1.00 0.00 C ATOM 0 H ALA A 54 6.306 10.934 3.732 1.00 0.00 H new ATOM 0 HA ALA A 54 6.087 13.761 4.666 1.00 0.00 H new ATOM 0 HB1 ALA A 54 8.011 13.406 6.179 1.00 0.00 H new ATOM 0 HB2 ALA A 54 6.620 12.411 6.672 1.00 0.00 H new ATOM 0 HB3 ALA A 54 7.986 11.665 5.808 1.00 0.00 H new ATOM 844 N SER A 55 8.289 11.993 2.963 1.00 0.00 N ATOM 845 CA SER A 55 9.323 12.121 1.899 1.00 0.00 C ATOM 846 C SER A 55 9.736 10.732 1.410 1.00 0.00 C ATOM 847 O SER A 55 10.598 10.093 1.980 1.00 0.00 O ATOM 848 CB SER A 55 10.546 12.845 2.455 1.00 0.00 C ATOM 849 OG SER A 55 10.404 12.996 3.862 1.00 0.00 O ATOM 0 H SER A 55 8.058 11.036 3.231 1.00 0.00 H new ATOM 0 HA SER A 55 8.910 12.691 1.067 1.00 0.00 H new ATOM 0 HB2 SER A 55 11.451 12.281 2.228 1.00 0.00 H new ATOM 0 HB3 SER A 55 10.651 13.821 1.982 1.00 0.00 H new ATOM 0 HG SER A 55 11.189 13.459 4.222 1.00 0.00 H new ATOM 855 N ILE A 56 9.130 10.271 0.352 1.00 0.00 N ATOM 856 CA ILE A 56 9.475 8.929 -0.205 1.00 0.00 C ATOM 857 C ILE A 56 9.734 7.924 0.924 1.00 0.00 C ATOM 858 O ILE A 56 8.831 7.268 1.402 1.00 0.00 O ATOM 859 CB ILE A 56 10.726 9.046 -1.076 1.00 0.00 C ATOM 860 CG1 ILE A 56 10.395 9.869 -2.323 1.00 0.00 C ATOM 861 CG2 ILE A 56 11.193 7.652 -1.496 1.00 0.00 C ATOM 862 CD1 ILE A 56 9.397 9.100 -3.191 1.00 0.00 C ATOM 0 H ILE A 56 8.402 10.771 -0.158 1.00 0.00 H new ATOM 0 HA ILE A 56 8.636 8.574 -0.804 1.00 0.00 H new ATOM 0 HB ILE A 56 11.519 9.536 -0.511 1.00 0.00 H new ATOM 0 HG12 ILE A 56 9.976 10.833 -2.035 1.00 0.00 H new ATOM 0 HG13 ILE A 56 11.304 10.073 -2.889 1.00 0.00 H new ATOM 0 HG21 ILE A 56 12.085 7.739 -2.117 1.00 0.00 H new ATOM 0 HG22 ILE A 56 11.424 7.063 -0.608 1.00 0.00 H new ATOM 0 HG23 ILE A 56 10.403 7.159 -2.063 1.00 0.00 H new ATOM 0 HD11 ILE A 56 9.161 9.686 -4.079 1.00 0.00 H new ATOM 0 HD12 ILE A 56 9.834 8.147 -3.490 1.00 0.00 H new ATOM 0 HD13 ILE A 56 8.485 8.919 -2.623 1.00 0.00 H new ATOM 874 N GLU A 57 10.965 7.789 1.341 1.00 0.00 N ATOM 875 CA GLU A 57 11.286 6.816 2.425 1.00 0.00 C ATOM 876 C GLU A 57 10.232 6.901 3.529 1.00 0.00 C ATOM 877 O GLU A 57 9.888 5.913 4.147 1.00 0.00 O ATOM 878 CB GLU A 57 12.663 7.141 3.009 1.00 0.00 C ATOM 879 CG GLU A 57 13.655 6.041 2.621 1.00 0.00 C ATOM 880 CD GLU A 57 13.907 5.132 3.825 1.00 0.00 C ATOM 881 OE1 GLU A 57 14.042 5.654 4.919 1.00 0.00 O ATOM 882 OE2 GLU A 57 13.960 3.928 3.631 1.00 0.00 O ATOM 0 H GLU A 57 11.762 8.311 0.977 1.00 0.00 H new ATOM 0 HA GLU A 57 11.292 5.807 2.012 1.00 0.00 H new ATOM 0 HB2 GLU A 57 13.009 8.105 2.637 1.00 0.00 H new ATOM 0 HB3 GLU A 57 12.600 7.222 4.094 1.00 0.00 H new ATOM 0 HG2 GLU A 57 13.261 5.458 1.788 1.00 0.00 H new ATOM 0 HG3 GLU A 57 14.592 6.484 2.284 1.00 0.00 H new ATOM 889 N ALA A 58 9.710 8.068 3.782 1.00 0.00 N ATOM 890 CA ALA A 58 8.674 8.200 4.843 1.00 0.00 C ATOM 891 C ALA A 58 7.399 7.489 4.392 1.00 0.00 C ATOM 892 O ALA A 58 6.706 6.870 5.177 1.00 0.00 O ATOM 893 CB ALA A 58 8.379 9.679 5.091 1.00 0.00 C ATOM 0 H ALA A 58 9.955 8.934 3.302 1.00 0.00 H new ATOM 0 HA ALA A 58 9.036 7.748 5.766 1.00 0.00 H new ATOM 0 HB1 ALA A 58 7.620 9.773 5.868 1.00 0.00 H new ATOM 0 HB2 ALA A 58 9.291 10.183 5.411 1.00 0.00 H new ATOM 0 HB3 ALA A 58 8.015 10.137 4.171 1.00 0.00 H new ATOM 899 N ALA A 59 7.085 7.566 3.128 1.00 0.00 N ATOM 900 CA ALA A 59 5.858 6.890 2.622 1.00 0.00 C ATOM 901 C ALA A 59 5.972 5.389 2.868 1.00 0.00 C ATOM 902 O ALA A 59 5.084 4.766 3.412 1.00 0.00 O ATOM 903 CB ALA A 59 5.709 7.152 1.122 1.00 0.00 C ATOM 0 H ALA A 59 7.626 8.068 2.424 1.00 0.00 H new ATOM 0 HA ALA A 59 4.985 7.281 3.144 1.00 0.00 H new ATOM 0 HB1 ALA A 59 4.811 6.657 0.754 1.00 0.00 H new ATOM 0 HB2 ALA A 59 5.630 8.225 0.946 1.00 0.00 H new ATOM 0 HB3 ALA A 59 6.580 6.762 0.596 1.00 0.00 H new ATOM 909 N MET A 60 7.065 4.809 2.471 1.00 0.00 N ATOM 910 CA MET A 60 7.254 3.345 2.675 1.00 0.00 C ATOM 911 C MET A 60 7.192 3.033 4.169 1.00 0.00 C ATOM 912 O MET A 60 6.702 1.998 4.577 1.00 0.00 O ATOM 913 CB MET A 60 8.614 2.919 2.115 1.00 0.00 C ATOM 914 CG MET A 60 9.725 3.736 2.776 1.00 0.00 C ATOM 915 SD MET A 60 11.315 2.909 2.524 1.00 0.00 S ATOM 916 CE MET A 60 11.455 3.226 0.747 1.00 0.00 C ATOM 0 H MET A 60 7.841 5.285 2.012 1.00 0.00 H new ATOM 0 HA MET A 60 6.467 2.799 2.156 1.00 0.00 H new ATOM 0 HB2 MET A 60 8.775 1.856 2.295 1.00 0.00 H new ATOM 0 HB3 MET A 60 8.635 3.066 1.035 1.00 0.00 H new ATOM 0 HG2 MET A 60 9.754 4.740 2.352 1.00 0.00 H new ATOM 0 HG3 MET A 60 9.525 3.846 3.842 1.00 0.00 H new ATOM 0 HE1 MET A 60 12.496 3.424 0.494 1.00 0.00 H new ATOM 0 HE2 MET A 60 11.107 2.354 0.193 1.00 0.00 H new ATOM 0 HE3 MET A 60 10.846 4.091 0.483 1.00 0.00 H new ATOM 926 N ARG A 61 7.670 3.924 4.993 1.00 0.00 N ATOM 927 CA ARG A 61 7.625 3.676 6.459 1.00 0.00 C ATOM 928 C ARG A 61 6.179 3.386 6.862 1.00 0.00 C ATOM 929 O ARG A 61 5.845 2.294 7.276 1.00 0.00 O ATOM 930 CB ARG A 61 8.126 4.915 7.202 1.00 0.00 C ATOM 931 CG ARG A 61 9.649 4.852 7.334 1.00 0.00 C ATOM 932 CD ARG A 61 10.018 4.108 8.619 1.00 0.00 C ATOM 933 NE ARG A 61 10.363 2.697 8.291 1.00 0.00 N ATOM 934 CZ ARG A 61 11.371 2.117 8.884 1.00 0.00 C ATOM 935 NH1 ARG A 61 11.229 1.628 10.084 1.00 0.00 N ATOM 936 NH2 ARG A 61 12.522 2.026 8.273 1.00 0.00 N ATOM 0 H ARG A 61 8.089 4.811 4.714 1.00 0.00 H new ATOM 0 HA ARG A 61 8.259 2.827 6.714 1.00 0.00 H new ATOM 0 HB2 ARG A 61 7.834 5.817 6.664 1.00 0.00 H new ATOM 0 HB3 ARG A 61 7.667 4.970 8.189 1.00 0.00 H new ATOM 0 HG2 ARG A 61 10.079 4.344 6.471 1.00 0.00 H new ATOM 0 HG3 ARG A 61 10.065 5.859 7.352 1.00 0.00 H new ATOM 0 HD2 ARG A 61 10.862 4.597 9.106 1.00 0.00 H new ATOM 0 HD3 ARG A 61 9.185 4.137 9.321 1.00 0.00 H new ATOM 0 HE ARG A 61 9.812 2.184 7.603 1.00 0.00 H new ATOM 0 HH11 ARG A 61 10.330 1.698 10.560 1.00 0.00 H new ATOM 0 HH12 ARG A 61 12.017 1.175 10.547 1.00 0.00 H new ATOM 0 HH21 ARG A 61 12.632 2.408 7.334 1.00 0.00 H new ATOM 0 HH22 ARG A 61 13.310 1.573 8.735 1.00 0.00 H new ATOM 950 N MET A 62 5.314 4.356 6.734 1.00 0.00 N ATOM 951 CA MET A 62 3.887 4.134 7.096 1.00 0.00 C ATOM 952 C MET A 62 3.243 3.206 6.065 1.00 0.00 C ATOM 953 O MET A 62 2.513 2.296 6.405 1.00 0.00 O ATOM 954 CB MET A 62 3.147 5.473 7.113 1.00 0.00 C ATOM 955 CG MET A 62 3.708 6.353 8.231 1.00 0.00 C ATOM 956 SD MET A 62 4.875 7.545 7.531 1.00 0.00 S ATOM 957 CE MET A 62 3.651 8.748 6.953 1.00 0.00 C ATOM 0 H MET A 62 5.535 5.292 6.394 1.00 0.00 H new ATOM 0 HA MET A 62 3.828 3.679 8.085 1.00 0.00 H new ATOM 0 HB2 MET A 62 3.258 5.974 6.151 1.00 0.00 H new ATOM 0 HB3 MET A 62 2.080 5.309 7.266 1.00 0.00 H new ATOM 0 HG2 MET A 62 2.897 6.876 8.738 1.00 0.00 H new ATOM 0 HG3 MET A 62 4.206 5.736 8.979 1.00 0.00 H new ATOM 0 HE1 MET A 62 4.145 9.696 6.741 1.00 0.00 H new ATOM 0 HE2 MET A 62 3.175 8.376 6.046 1.00 0.00 H new ATOM 0 HE3 MET A 62 2.895 8.897 7.724 1.00 0.00 H new ATOM 967 N ILE A 63 3.510 3.427 4.806 1.00 0.00 N ATOM 968 CA ILE A 63 2.914 2.556 3.754 1.00 0.00 C ATOM 969 C ILE A 63 3.116 1.090 4.150 1.00 0.00 C ATOM 970 O ILE A 63 2.189 0.305 4.150 1.00 0.00 O ATOM 971 CB ILE A 63 3.599 2.832 2.409 1.00 0.00 C ATOM 972 CG1 ILE A 63 3.072 4.146 1.827 1.00 0.00 C ATOM 973 CG2 ILE A 63 3.295 1.694 1.432 1.00 0.00 C ATOM 974 CD1 ILE A 63 1.595 3.989 1.470 1.00 0.00 C ATOM 0 H ILE A 63 4.115 4.173 4.461 1.00 0.00 H new ATOM 0 HA ILE A 63 1.849 2.766 3.658 1.00 0.00 H new ATOM 0 HB ILE A 63 4.676 2.903 2.564 1.00 0.00 H new ATOM 0 HG12 ILE A 63 3.199 4.953 2.549 1.00 0.00 H new ATOM 0 HG13 ILE A 63 3.644 4.419 0.940 1.00 0.00 H new ATOM 0 HG21 ILE A 63 3.783 1.893 0.478 1.00 0.00 H new ATOM 0 HG22 ILE A 63 3.667 0.755 1.841 1.00 0.00 H new ATOM 0 HG23 ILE A 63 2.218 1.622 1.281 1.00 0.00 H new ATOM 0 HD11 ILE A 63 1.219 4.925 1.056 1.00 0.00 H new ATOM 0 HD12 ILE A 63 1.481 3.194 0.733 1.00 0.00 H new ATOM 0 HD13 ILE A 63 1.029 3.736 2.366 1.00 0.00 H new ATOM 986 N GLU A 64 4.320 0.718 4.493 1.00 0.00 N ATOM 987 CA GLU A 64 4.572 -0.695 4.893 1.00 0.00 C ATOM 988 C GLU A 64 3.750 -1.016 6.141 1.00 0.00 C ATOM 989 O GLU A 64 3.085 -2.030 6.214 1.00 0.00 O ATOM 990 CB GLU A 64 6.061 -0.883 5.195 1.00 0.00 C ATOM 991 CG GLU A 64 6.846 -0.937 3.882 1.00 0.00 C ATOM 992 CD GLU A 64 7.667 -2.227 3.828 1.00 0.00 C ATOM 993 OE1 GLU A 64 7.266 -3.188 4.461 1.00 0.00 O ATOM 994 OE2 GLU A 64 8.683 -2.230 3.150 1.00 0.00 O ATOM 0 H GLU A 64 5.136 1.329 4.513 1.00 0.00 H new ATOM 0 HA GLU A 64 4.283 -1.364 4.083 1.00 0.00 H new ATOM 0 HB2 GLU A 64 6.424 -0.063 5.814 1.00 0.00 H new ATOM 0 HB3 GLU A 64 6.215 -1.802 5.761 1.00 0.00 H new ATOM 0 HG2 GLU A 64 6.161 -0.894 3.035 1.00 0.00 H new ATOM 0 HG3 GLU A 64 7.504 -0.072 3.804 1.00 0.00 H new ATOM 1001 N GLY A 65 3.784 -0.155 7.122 1.00 0.00 N ATOM 1002 CA GLY A 65 2.997 -0.408 8.361 1.00 0.00 C ATOM 1003 C GLY A 65 1.515 -0.508 8.002 1.00 0.00 C ATOM 1004 O GLY A 65 0.710 -1.001 8.768 1.00 0.00 O ATOM 0 H GLY A 65 4.322 0.711 7.118 1.00 0.00 H new ATOM 0 HA2 GLY A 65 3.331 -1.330 8.837 1.00 0.00 H new ATOM 0 HA3 GLY A 65 3.156 0.397 9.078 1.00 0.00 H new ATOM 1008 N THR A 66 1.149 -0.046 6.838 1.00 0.00 N ATOM 1009 CA THR A 66 -0.280 -0.115 6.425 1.00 0.00 C ATOM 1010 C THR A 66 -0.556 -1.472 5.775 1.00 0.00 C ATOM 1011 O THR A 66 -1.525 -2.135 6.087 1.00 0.00 O ATOM 1012 CB THR A 66 -0.571 1.007 5.425 1.00 0.00 C ATOM 1013 OG1 THR A 66 -0.014 2.222 5.904 1.00 0.00 O ATOM 1014 CG2 THR A 66 -2.083 1.165 5.261 1.00 0.00 C ATOM 0 H THR A 66 1.778 0.376 6.155 1.00 0.00 H new ATOM 0 HA THR A 66 -0.922 0.003 7.298 1.00 0.00 H new ATOM 0 HB THR A 66 -0.127 0.760 4.461 1.00 0.00 H new ATOM 0 HG1 THR A 66 0.940 2.255 5.681 1.00 0.00 H new ATOM 0 HG21 THR A 66 -2.290 1.964 4.549 1.00 0.00 H new ATOM 0 HG22 THR A 66 -2.509 0.231 4.893 1.00 0.00 H new ATOM 0 HG23 THR A 66 -2.530 1.412 6.224 1.00 0.00 H new ATOM 1022 N ALA A 67 0.291 -1.894 4.875 1.00 0.00 N ATOM 1023 CA ALA A 67 0.076 -3.209 4.209 1.00 0.00 C ATOM 1024 C ALA A 67 -0.048 -4.305 5.268 1.00 0.00 C ATOM 1025 O ALA A 67 -0.783 -5.258 5.106 1.00 0.00 O ATOM 1026 CB ALA A 67 1.266 -3.518 3.297 1.00 0.00 C ATOM 0 H ALA A 67 1.122 -1.385 4.573 1.00 0.00 H new ATOM 0 HA ALA A 67 -0.839 -3.170 3.617 1.00 0.00 H new ATOM 0 HB1 ALA A 67 1.110 -4.480 2.809 1.00 0.00 H new ATOM 0 HB2 ALA A 67 1.357 -2.738 2.541 1.00 0.00 H new ATOM 0 HB3 ALA A 67 2.179 -3.556 3.891 1.00 0.00 H new ATOM 1032 N ARG A 68 0.670 -4.178 6.351 1.00 0.00 N ATOM 1033 CA ARG A 68 0.597 -5.214 7.420 1.00 0.00 C ATOM 1034 C ARG A 68 -0.839 -5.317 7.941 1.00 0.00 C ATOM 1035 O ARG A 68 -1.189 -6.249 8.637 1.00 0.00 O ATOM 1036 CB ARG A 68 1.534 -4.831 8.567 1.00 0.00 C ATOM 1037 CG ARG A 68 2.987 -5.044 8.131 1.00 0.00 C ATOM 1038 CD ARG A 68 3.901 -5.008 9.358 1.00 0.00 C ATOM 1039 NE ARG A 68 4.665 -3.730 9.369 1.00 0.00 N ATOM 1040 CZ ARG A 68 5.864 -3.687 9.880 1.00 0.00 C ATOM 1041 NH1 ARG A 68 6.090 -4.192 11.063 1.00 0.00 N ATOM 1042 NH2 ARG A 68 6.840 -3.139 9.209 1.00 0.00 N ATOM 0 H ARG A 68 1.304 -3.402 6.541 1.00 0.00 H new ATOM 0 HA ARG A 68 0.900 -6.178 7.011 1.00 0.00 H new ATOM 0 HB2 ARG A 68 1.376 -3.790 8.848 1.00 0.00 H new ATOM 0 HB3 ARG A 68 1.315 -5.435 9.447 1.00 0.00 H new ATOM 0 HG2 ARG A 68 3.087 -6.001 7.618 1.00 0.00 H new ATOM 0 HG3 ARG A 68 3.282 -4.270 7.422 1.00 0.00 H new ATOM 0 HD2 ARG A 68 3.309 -5.098 10.269 1.00 0.00 H new ATOM 0 HD3 ARG A 68 4.587 -5.855 9.339 1.00 0.00 H new ATOM 0 HE ARG A 68 4.249 -2.886 8.976 1.00 0.00 H new ATOM 0 HH11 ARG A 68 5.328 -4.621 11.589 1.00 0.00 H new ATOM 0 HH12 ARG A 68 7.028 -4.158 11.461 1.00 0.00 H new ATOM 0 HH21 ARG A 68 6.665 -2.744 8.285 1.00 0.00 H new ATOM 0 HH22 ARG A 68 7.778 -3.105 9.609 1.00 0.00 H new ATOM 1056 N SER A 69 -1.675 -4.371 7.611 1.00 0.00 N ATOM 1057 CA SER A 69 -3.084 -4.425 8.091 1.00 0.00 C ATOM 1058 C SER A 69 -3.848 -5.479 7.284 1.00 0.00 C ATOM 1059 O SER A 69 -4.883 -5.962 7.696 1.00 0.00 O ATOM 1060 CB SER A 69 -3.738 -3.050 7.913 1.00 0.00 C ATOM 1061 OG SER A 69 -4.768 -3.132 6.936 1.00 0.00 O ATOM 0 H SER A 69 -1.444 -3.565 7.031 1.00 0.00 H new ATOM 0 HA SER A 69 -3.106 -4.693 9.147 1.00 0.00 H new ATOM 0 HB2 SER A 69 -4.150 -2.707 8.862 1.00 0.00 H new ATOM 0 HB3 SER A 69 -2.991 -2.318 7.607 1.00 0.00 H new ATOM 0 HG SER A 69 -5.185 -2.252 6.826 1.00 0.00 H new ATOM 1067 N MET A 70 -3.338 -5.842 6.137 1.00 0.00 N ATOM 1068 CA MET A 70 -4.027 -6.871 5.306 1.00 0.00 C ATOM 1069 C MET A 70 -3.103 -8.079 5.143 1.00 0.00 C ATOM 1070 O MET A 70 -3.295 -9.107 5.763 1.00 0.00 O ATOM 1071 CB MET A 70 -4.354 -6.287 3.928 1.00 0.00 C ATOM 1072 CG MET A 70 -5.153 -4.994 4.094 1.00 0.00 C ATOM 1073 SD MET A 70 -6.923 -5.378 4.144 1.00 0.00 S ATOM 1074 CE MET A 70 -7.494 -3.932 3.218 1.00 0.00 C ATOM 0 H MET A 70 -2.475 -5.471 5.740 1.00 0.00 H new ATOM 0 HA MET A 70 -4.953 -7.177 5.793 1.00 0.00 H new ATOM 0 HB2 MET A 70 -3.434 -6.089 3.378 1.00 0.00 H new ATOM 0 HB3 MET A 70 -4.926 -7.007 3.343 1.00 0.00 H new ATOM 0 HG2 MET A 70 -4.855 -4.485 5.011 1.00 0.00 H new ATOM 0 HG3 MET A 70 -4.941 -4.315 3.269 1.00 0.00 H new ATOM 0 HE1 MET A 70 -8.521 -3.700 3.502 1.00 0.00 H new ATOM 0 HE2 MET A 70 -6.854 -3.079 3.444 1.00 0.00 H new ATOM 0 HE3 MET A 70 -7.452 -4.144 2.150 1.00 0.00 H new ATOM 1084 N GLY A 71 -2.098 -7.962 4.319 1.00 0.00 N ATOM 1085 CA GLY A 71 -1.160 -9.106 4.123 1.00 0.00 C ATOM 1086 C GLY A 71 -0.189 -8.809 2.973 1.00 0.00 C ATOM 1087 O GLY A 71 0.317 -9.710 2.332 1.00 0.00 O ATOM 0 H GLY A 71 -1.885 -7.127 3.774 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -0.602 -9.288 5.041 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -1.723 -10.014 3.907 1.00 0.00 H new ATOM 1091 N ILE A 72 0.085 -7.558 2.708 1.00 0.00 N ATOM 1092 CA ILE A 72 1.028 -7.220 1.607 1.00 0.00 C ATOM 1093 C ILE A 72 2.433 -7.057 2.189 1.00 0.00 C ATOM 1094 O ILE A 72 2.836 -5.974 2.564 1.00 0.00 O ATOM 1095 CB ILE A 72 0.592 -5.916 0.938 1.00 0.00 C ATOM 1096 CG1 ILE A 72 -0.743 -6.134 0.224 1.00 0.00 C ATOM 1097 CG2 ILE A 72 1.649 -5.489 -0.082 1.00 0.00 C ATOM 1098 CD1 ILE A 72 -1.875 -6.156 1.255 1.00 0.00 C ATOM 0 H ILE A 72 -0.304 -6.758 3.207 1.00 0.00 H new ATOM 0 HA ILE A 72 1.028 -8.017 0.864 1.00 0.00 H new ATOM 0 HB ILE A 72 0.480 -5.139 1.694 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -0.913 -5.339 -0.502 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -0.723 -7.073 -0.330 1.00 0.00 H new ATOM 0 HG21 ILE A 72 1.339 -4.559 -0.560 1.00 0.00 H new ATOM 0 HG22 ILE A 72 2.602 -5.337 0.424 1.00 0.00 H new ATOM 0 HG23 ILE A 72 1.760 -6.266 -0.838 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -2.827 -6.311 0.747 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -1.706 -6.966 1.964 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -1.899 -5.206 1.789 1.00 0.00 H new ATOM 1110 N VAL A 73 3.179 -8.120 2.272 1.00 0.00 N ATOM 1111 CA VAL A 73 4.551 -8.019 2.837 1.00 0.00 C ATOM 1112 C VAL A 73 5.484 -7.393 1.802 1.00 0.00 C ATOM 1113 O VAL A 73 5.298 -7.541 0.609 1.00 0.00 O ATOM 1114 CB VAL A 73 5.051 -9.416 3.211 1.00 0.00 C ATOM 1115 CG1 VAL A 73 6.491 -9.327 3.717 1.00 0.00 C ATOM 1116 CG2 VAL A 73 4.159 -9.990 4.313 1.00 0.00 C ATOM 0 H VAL A 73 2.899 -9.054 1.973 1.00 0.00 H new ATOM 0 HA VAL A 73 4.535 -7.393 3.729 1.00 0.00 H new ATOM 0 HB VAL A 73 5.016 -10.063 2.335 1.00 0.00 H new ATOM 0 HG11 VAL A 73 6.845 -10.323 3.983 1.00 0.00 H new ATOM 0 HG12 VAL A 73 7.127 -8.913 2.935 1.00 0.00 H new ATOM 0 HG13 VAL A 73 6.529 -8.682 4.595 1.00 0.00 H new ATOM 0 HG21 VAL A 73 4.510 -10.986 4.584 1.00 0.00 H new ATOM 0 HG22 VAL A 73 4.198 -9.341 5.188 1.00 0.00 H new ATOM 0 HG23 VAL A 73 3.132 -10.053 3.954 1.00 0.00 H new ATOM 1126 N VAL A 74 6.485 -6.688 2.250 1.00 0.00 N ATOM 1127 CA VAL A 74 7.433 -6.041 1.299 1.00 0.00 C ATOM 1128 C VAL A 74 8.851 -6.127 1.861 1.00 0.00 C ATOM 1129 O VAL A 74 9.103 -5.778 2.996 1.00 0.00 O ATOM 1130 CB VAL A 74 7.051 -4.571 1.115 1.00 0.00 C ATOM 1131 CG1 VAL A 74 7.857 -3.977 -0.041 1.00 0.00 C ATOM 1132 CG2 VAL A 74 5.556 -4.466 0.800 1.00 0.00 C ATOM 0 H VAL A 74 6.689 -6.531 3.237 1.00 0.00 H new ATOM 0 HA VAL A 74 7.387 -6.552 0.337 1.00 0.00 H new ATOM 0 HB VAL A 74 7.268 -4.022 2.031 1.00 0.00 H new ATOM 0 HG11 VAL A 74 7.586 -2.930 -0.173 1.00 0.00 H new ATOM 0 HG12 VAL A 74 8.921 -4.051 0.182 1.00 0.00 H new ATOM 0 HG13 VAL A 74 7.639 -4.527 -0.957 1.00 0.00 H new ATOM 0 HG21 VAL A 74 5.284 -3.419 0.669 1.00 0.00 H new ATOM 0 HG22 VAL A 74 5.338 -5.015 -0.116 1.00 0.00 H new ATOM 0 HG23 VAL A 74 4.980 -4.890 1.623 1.00 0.00 H new ATOM 1142 N GLU A 75 9.778 -6.590 1.072 1.00 0.00 N ATOM 1143 CA GLU A 75 11.181 -6.699 1.560 1.00 0.00 C ATOM 1144 C GLU A 75 12.098 -5.856 0.671 1.00 0.00 C ATOM 1145 O GLU A 75 11.652 -5.196 -0.246 1.00 0.00 O ATOM 1146 CB GLU A 75 11.628 -8.161 1.516 1.00 0.00 C ATOM 1147 CG GLU A 75 12.072 -8.604 2.913 1.00 0.00 C ATOM 1148 CD GLU A 75 11.707 -10.073 3.126 1.00 0.00 C ATOM 1149 OE1 GLU A 75 10.566 -10.335 3.476 1.00 0.00 O ATOM 1150 OE2 GLU A 75 12.571 -10.911 2.937 1.00 0.00 O ATOM 0 H GLU A 75 9.626 -6.898 0.111 1.00 0.00 H new ATOM 0 HA GLU A 75 11.236 -6.336 2.586 1.00 0.00 H new ATOM 0 HB2 GLU A 75 10.811 -8.791 1.166 1.00 0.00 H new ATOM 0 HB3 GLU A 75 12.448 -8.280 0.808 1.00 0.00 H new ATOM 0 HG2 GLU A 75 13.148 -8.466 3.024 1.00 0.00 H new ATOM 0 HG3 GLU A 75 11.591 -7.986 3.671 1.00 0.00 H new ATOM 1157 N ASP A 76 13.374 -5.872 0.937 1.00 0.00 N ATOM 1158 CA ASP A 76 14.318 -5.071 0.109 1.00 0.00 C ATOM 1159 C ASP A 76 14.525 -5.758 -1.242 1.00 0.00 C ATOM 1160 O ASP A 76 14.636 -6.973 -1.255 1.00 0.00 O ATOM 1161 CB ASP A 76 15.660 -4.955 0.834 1.00 0.00 C ATOM 1162 CG ASP A 76 15.690 -3.663 1.652 1.00 0.00 C ATOM 1163 OD1 ASP A 76 14.651 -3.038 1.775 1.00 0.00 O ATOM 1164 OD2 ASP A 76 16.755 -3.318 2.139 1.00 0.00 O ATOM 1165 OXT ASP A 76 14.569 -5.058 -2.239 1.00 0.00 O ATOM 0 H ASP A 76 13.804 -6.405 1.692 1.00 0.00 H new ATOM 0 HA ASP A 76 13.904 -4.075 -0.051 1.00 0.00 H new ATOM 0 HB2 ASP A 76 15.807 -5.815 1.488 1.00 0.00 H new ATOM 0 HB3 ASP A 76 16.477 -4.960 0.112 1.00 0.00 H new TER 1170 ASP A 76