USER MOD reduce.3.24.130724 H: found=0, std=0, add=700, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 699 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 Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -179:sc= 0 (180deg=-0.00182) USER MOD Single : A 2 MET CE :methyl -146:sc= -0.55 (180deg=-2.68!) USER MOD Single : A 9 LYS NZ :NH3+ 171:sc= -3.71 (180deg=-3.8) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 GLN : amide:sc= -0.0157 K(o=-0.016,f=-1.2) USER MOD Single : A 16 THR OG1 : rot -67:sc= 0.544 USER MOD Single : A 31 MET CE :methyl 150:sc= -0.863 (180deg=-2.16!) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 HIS : no HD1:sc= -0.246 X(o=-0.25,f=-0.043) USER MOD Single : A 39 SER OG : rot 168:sc= 0.0914 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 47 SER OG : rot -48:sc= -0.322 USER MOD Single : A 53 GLN : amide:sc= -0.256 K(o=-0.26,f=-0.93) USER MOD Single : A 55 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 ASN : amide:sc= -5.25! C(o=-5.2!,f=-11!) USER MOD Single : A 64 HIS : no HD1:sc= -0.0548 X(o=-0.055,f=0) USER MOD Single : A 65 SER OG : rot -134:sc= -0.735 USER MOD Single : A 67 THR OG1 : rot 11:sc= -4.52! USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 HIS : no HD1:sc=-0.00158 X(o=-0.0016,f=-0.1) USER MOD Single : A 75 MET CE :methyl 180:sc= -0.0565 (180deg=-0.0565) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -2.604 -17.588 7.581 1.00 0.00 N ATOM 2 CA MET A 1 -1.600 -16.976 8.434 1.00 0.00 C ATOM 3 C MET A 1 -0.846 -15.872 7.690 1.00 0.00 C ATOM 4 O MET A 1 -0.721 -14.755 8.189 1.00 0.00 O ATOM 5 CB MET A 1 -0.609 -18.044 8.904 1.00 0.00 C ATOM 6 CG MET A 1 -1.041 -18.640 10.245 1.00 0.00 C ATOM 7 SD MET A 1 0.082 -19.943 10.723 1.00 0.00 S ATOM 8 CE MET A 1 1.027 -19.093 11.976 1.00 0.00 C ATOM 0 H1 MET A 1 -3.112 -18.322 8.115 1.00 0.00 H new ATOM 0 H2 MET A 1 -3.277 -16.863 7.262 1.00 0.00 H new ATOM 0 H3 MET A 1 -2.142 -18.019 6.755 1.00 0.00 H new ATOM 0 HA MET A 1 -2.103 -16.531 9.293 1.00 0.00 H new ATOM 0 HB2 MET A 1 -0.539 -18.834 8.156 1.00 0.00 H new ATOM 0 HB3 MET A 1 0.385 -17.606 9.000 1.00 0.00 H new ATOM 0 HG2 MET A 1 -1.057 -17.863 11.010 1.00 0.00 H new ATOM 0 HG3 MET A 1 -2.055 -19.032 10.168 1.00 0.00 H new ATOM 0 HE1 MET A 1 1.780 -19.767 12.384 1.00 0.00 H new ATOM 0 HE2 MET A 1 1.518 -18.225 11.535 1.00 0.00 H new ATOM 0 HE3 MET A 1 0.361 -18.767 12.775 1.00 0.00 H new ATOM 18 N MET A 2 -0.363 -16.224 6.507 1.00 0.00 N ATOM 19 CA MET A 2 0.375 -15.277 5.688 1.00 0.00 C ATOM 20 C MET A 2 0.524 -15.790 4.255 1.00 0.00 C ATOM 21 O MET A 2 1.637 -16.027 3.789 1.00 0.00 O ATOM 22 CB MET A 2 1.761 -15.049 6.295 1.00 0.00 C ATOM 23 CG MET A 2 2.163 -13.575 6.205 1.00 0.00 C ATOM 24 SD MET A 2 3.501 -13.237 7.337 1.00 0.00 S ATOM 25 CE MET A 2 2.761 -13.789 8.865 1.00 0.00 C ATOM 0 H MET A 2 -0.468 -17.152 6.096 1.00 0.00 H new ATOM 0 HA MET A 2 -0.180 -14.339 5.662 1.00 0.00 H new ATOM 0 HB2 MET A 2 1.762 -15.367 7.338 1.00 0.00 H new ATOM 0 HB3 MET A 2 2.496 -15.663 5.774 1.00 0.00 H new ATOM 0 HG2 MET A 2 2.468 -13.334 5.187 1.00 0.00 H new ATOM 0 HG3 MET A 2 1.308 -12.941 6.440 1.00 0.00 H new ATOM 0 HE1 MET A 2 3.112 -13.164 9.686 1.00 0.00 H new ATOM 0 HE2 MET A 2 1.676 -13.716 8.791 1.00 0.00 H new ATOM 0 HE3 MET A 2 3.043 -14.825 9.052 1.00 0.00 H new ATOM 35 N VAL A 3 -0.615 -15.947 3.595 1.00 0.00 N ATOM 36 CA VAL A 3 -0.625 -16.428 2.224 1.00 0.00 C ATOM 37 C VAL A 3 -1.629 -15.610 1.409 1.00 0.00 C ATOM 38 O VAL A 3 -2.613 -15.109 1.951 1.00 0.00 O ATOM 39 CB VAL A 3 -0.918 -17.930 2.199 1.00 0.00 C ATOM 40 CG1 VAL A 3 -0.584 -18.530 0.832 1.00 0.00 C ATOM 41 CG2 VAL A 3 -0.163 -18.654 3.315 1.00 0.00 C ATOM 0 H VAL A 3 -1.537 -15.750 3.985 1.00 0.00 H new ATOM 0 HA VAL A 3 0.354 -16.293 1.764 1.00 0.00 H new ATOM 0 HB VAL A 3 -1.985 -18.067 2.373 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -0.801 -19.598 0.841 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -1.186 -18.044 0.064 1.00 0.00 H new ATOM 0 HG13 VAL A 3 0.473 -18.376 0.616 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -0.389 -19.720 3.275 1.00 0.00 H new ATOM 0 HG22 VAL A 3 0.909 -18.505 3.185 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -0.471 -18.254 4.281 1.00 0.00 H new ATOM 51 N PHE A 4 -1.344 -15.499 0.120 1.00 0.00 N ATOM 52 CA PHE A 4 -2.209 -14.750 -0.776 1.00 0.00 C ATOM 53 C PHE A 4 -2.215 -15.367 -2.176 1.00 0.00 C ATOM 54 O PHE A 4 -1.405 -16.243 -2.476 1.00 0.00 O ATOM 55 CB PHE A 4 -1.645 -13.330 -0.859 1.00 0.00 C ATOM 56 CG PHE A 4 -0.509 -13.170 -1.872 1.00 0.00 C ATOM 57 CD1 PHE A 4 0.762 -13.510 -1.527 1.00 0.00 C ATOM 58 CD2 PHE A 4 -0.770 -12.688 -3.116 1.00 0.00 C ATOM 59 CE1 PHE A 4 1.816 -13.362 -2.466 1.00 0.00 C ATOM 60 CE2 PHE A 4 0.284 -12.540 -4.056 1.00 0.00 C ATOM 61 CZ PHE A 4 1.555 -12.880 -3.711 1.00 0.00 C ATOM 0 H PHE A 4 -0.526 -15.915 -0.326 1.00 0.00 H new ATOM 0 HA PHE A 4 -3.232 -14.760 -0.400 1.00 0.00 H new ATOM 0 HB2 PHE A 4 -2.451 -12.645 -1.121 1.00 0.00 H new ATOM 0 HB3 PHE A 4 -1.284 -13.035 0.126 1.00 0.00 H new ATOM 0 HD1 PHE A 4 0.969 -13.893 -0.539 1.00 0.00 H new ATOM 0 HD2 PHE A 4 -1.779 -12.418 -3.389 1.00 0.00 H new ATOM 0 HE1 PHE A 4 2.825 -13.632 -2.192 1.00 0.00 H new ATOM 0 HE2 PHE A 4 0.077 -12.158 -5.044 1.00 0.00 H new ATOM 0 HZ PHE A 4 2.357 -12.767 -4.426 1.00 0.00 H new ATOM 71 N ASP A 5 -3.137 -14.885 -2.996 1.00 0.00 N ATOM 72 CA ASP A 5 -3.259 -15.378 -4.358 1.00 0.00 C ATOM 73 C ASP A 5 -3.763 -14.250 -5.261 1.00 0.00 C ATOM 74 O ASP A 5 -3.953 -13.123 -4.805 1.00 0.00 O ATOM 75 CB ASP A 5 -4.261 -16.531 -4.438 1.00 0.00 C ATOM 76 CG ASP A 5 -4.131 -17.579 -3.331 1.00 0.00 C ATOM 77 OD1 ASP A 5 -3.506 -18.633 -3.519 1.00 0.00 O ATOM 78 OD2 ASP A 5 -4.714 -17.273 -2.221 1.00 0.00 O ATOM 0 H ASP A 5 -3.807 -14.158 -2.744 1.00 0.00 H new ATOM 0 HA ASP A 5 -2.278 -15.729 -4.679 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -5.270 -16.118 -4.410 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -4.146 -17.026 -5.402 1.00 0.00 H new ATOM 84 N ASP A 6 -3.964 -14.593 -6.525 1.00 0.00 N ATOM 85 CA ASP A 6 -4.442 -13.623 -7.496 1.00 0.00 C ATOM 86 C ASP A 6 -5.564 -12.792 -6.870 1.00 0.00 C ATOM 87 O ASP A 6 -5.556 -11.565 -6.958 1.00 0.00 O ATOM 88 CB ASP A 6 -5.004 -14.318 -8.737 1.00 0.00 C ATOM 89 CG ASP A 6 -5.972 -15.469 -8.452 1.00 0.00 C ATOM 90 OD1 ASP A 6 -7.196 -15.278 -8.412 1.00 0.00 O ATOM 91 OD2 ASP A 6 -5.413 -16.616 -8.263 1.00 0.00 O ATOM 0 H ASP A 6 -3.805 -15.528 -6.899 1.00 0.00 H new ATOM 0 HA ASP A 6 -3.601 -12.993 -7.785 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -5.516 -13.576 -9.350 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -4.172 -14.701 -9.328 1.00 0.00 H new ATOM 97 N ILE A 7 -6.503 -13.493 -6.253 1.00 0.00 N ATOM 98 CA ILE A 7 -7.630 -12.836 -5.613 1.00 0.00 C ATOM 99 C ILE A 7 -7.113 -11.725 -4.696 1.00 0.00 C ATOM 100 O ILE A 7 -7.576 -10.588 -4.770 1.00 0.00 O ATOM 101 CB ILE A 7 -8.514 -13.860 -4.899 1.00 0.00 C ATOM 102 CG1 ILE A 7 -9.023 -14.921 -5.878 1.00 0.00 C ATOM 103 CG2 ILE A 7 -9.658 -13.172 -4.153 1.00 0.00 C ATOM 104 CD1 ILE A 7 -9.761 -14.274 -7.051 1.00 0.00 C ATOM 0 H ILE A 7 -6.507 -14.511 -6.182 1.00 0.00 H new ATOM 0 HA ILE A 7 -8.269 -12.364 -6.359 1.00 0.00 H new ATOM 0 HB ILE A 7 -7.908 -14.374 -4.153 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -8.185 -15.509 -6.251 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -9.690 -15.610 -5.359 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -10.271 -13.923 -3.654 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -9.248 -12.487 -3.411 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -10.271 -12.615 -4.861 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -10.112 -15.049 -7.732 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -10.613 -13.707 -6.676 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -9.084 -13.604 -7.582 1.00 0.00 H new ATOM 116 N ALA A 8 -6.159 -12.093 -3.853 1.00 0.00 N ATOM 117 CA ALA A 8 -5.574 -11.143 -2.923 1.00 0.00 C ATOM 118 C ALA A 8 -5.063 -9.926 -3.698 1.00 0.00 C ATOM 119 O ALA A 8 -5.361 -8.788 -3.340 1.00 0.00 O ATOM 120 CB ALA A 8 -4.468 -11.829 -2.119 1.00 0.00 C ATOM 0 H ALA A 8 -5.777 -13.037 -3.795 1.00 0.00 H new ATOM 0 HA ALA A 8 -6.322 -10.791 -2.213 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -4.029 -11.116 -1.421 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -4.888 -12.668 -1.564 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -3.697 -12.193 -2.798 1.00 0.00 H new ATOM 126 N LYS A 9 -4.302 -10.209 -4.745 1.00 0.00 N ATOM 127 CA LYS A 9 -3.747 -9.152 -5.574 1.00 0.00 C ATOM 128 C LYS A 9 -4.832 -8.112 -5.862 1.00 0.00 C ATOM 129 O LYS A 9 -4.677 -6.939 -5.527 1.00 0.00 O ATOM 130 CB LYS A 9 -3.108 -9.739 -6.834 1.00 0.00 C ATOM 131 CG LYS A 9 -1.713 -9.153 -7.065 1.00 0.00 C ATOM 132 CD LYS A 9 -1.716 -7.636 -6.868 1.00 0.00 C ATOM 133 CE LYS A 9 -0.806 -7.232 -5.707 1.00 0.00 C ATOM 134 NZ LYS A 9 0.463 -6.665 -6.216 1.00 0.00 N ATOM 0 H LYS A 9 -4.057 -11.155 -5.038 1.00 0.00 H new ATOM 0 HA LYS A 9 -2.944 -8.637 -5.047 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -3.040 -10.823 -6.741 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -3.741 -9.532 -7.697 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -1.004 -9.611 -6.376 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -1.377 -9.392 -8.074 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -1.383 -7.146 -7.783 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -2.732 -7.293 -6.675 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -1.312 -6.499 -5.078 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -0.598 -8.100 -5.081 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 1.003 -6.258 -5.426 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 1.023 -7.417 -6.667 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 0.256 -5.922 -6.913 1.00 0.00 H new ATOM 147 N ARG A 10 -5.907 -8.581 -6.479 1.00 0.00 N ATOM 148 CA ARG A 10 -7.018 -7.707 -6.816 1.00 0.00 C ATOM 149 C ARG A 10 -7.402 -6.848 -5.609 1.00 0.00 C ATOM 150 O ARG A 10 -7.717 -5.668 -5.757 1.00 0.00 O ATOM 151 CB ARG A 10 -8.236 -8.513 -7.268 1.00 0.00 C ATOM 152 CG ARG A 10 -8.548 -8.255 -8.744 1.00 0.00 C ATOM 153 CD ARG A 10 -9.815 -8.997 -9.174 1.00 0.00 C ATOM 154 NE ARG A 10 -10.020 -8.844 -10.632 1.00 0.00 N ATOM 155 CZ ARG A 10 -9.429 -9.621 -11.565 1.00 0.00 C ATOM 156 NH1 ARG A 10 -8.590 -10.613 -11.199 1.00 0.00 N ATOM 157 NH2 ARG A 10 -9.684 -9.396 -12.840 1.00 0.00 N ATOM 0 H ARG A 10 -6.032 -9.555 -6.754 1.00 0.00 H new ATOM 0 HA ARG A 10 -6.698 -7.065 -7.636 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -8.051 -9.576 -7.112 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -9.099 -8.247 -6.658 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -8.674 -7.185 -8.911 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -7.707 -8.577 -9.359 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -9.732 -10.053 -8.919 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -10.677 -8.605 -8.634 1.00 0.00 H new ATOM 0 HE ARG A 10 -10.647 -8.106 -10.952 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -8.398 -10.780 -10.211 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -8.148 -11.195 -11.910 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -10.319 -8.644 -13.108 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -9.246 -9.974 -13.557 1.00 0.00 H new ATOM 170 N LYS A 11 -7.365 -7.474 -4.442 1.00 0.00 N ATOM 171 CA LYS A 11 -7.705 -6.783 -3.210 1.00 0.00 C ATOM 172 C LYS A 11 -6.878 -5.500 -3.105 1.00 0.00 C ATOM 173 O LYS A 11 -7.428 -4.415 -2.920 1.00 0.00 O ATOM 174 CB LYS A 11 -7.547 -7.717 -2.009 1.00 0.00 C ATOM 175 CG LYS A 11 -8.342 -7.205 -0.807 1.00 0.00 C ATOM 176 CD LYS A 11 -7.655 -7.584 0.507 1.00 0.00 C ATOM 177 CE LYS A 11 -8.674 -8.082 1.534 1.00 0.00 C ATOM 178 NZ LYS A 11 -8.106 -8.018 2.900 1.00 0.00 N ATOM 0 H LYS A 11 -7.105 -8.453 -4.324 1.00 0.00 H new ATOM 0 HA LYS A 11 -8.754 -6.487 -3.217 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -7.888 -8.718 -2.275 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -6.493 -7.799 -1.744 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -8.444 -6.122 -0.869 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -9.349 -7.622 -0.828 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -6.911 -8.359 0.322 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -7.123 -6.720 0.906 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -9.579 -7.476 1.481 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -8.963 -9.107 1.301 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -8.810 -8.359 3.585 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -7.256 -8.615 2.951 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -7.853 -7.035 3.125 1.00 0.00 H new ATOM 191 N ILE A 12 -5.569 -5.666 -3.228 1.00 0.00 N ATOM 192 CA ILE A 12 -4.660 -4.535 -3.149 1.00 0.00 C ATOM 193 C ILE A 12 -5.269 -3.345 -3.892 1.00 0.00 C ATOM 194 O ILE A 12 -5.344 -2.243 -3.350 1.00 0.00 O ATOM 195 CB ILE A 12 -3.270 -4.929 -3.652 1.00 0.00 C ATOM 196 CG1 ILE A 12 -2.181 -4.426 -2.702 1.00 0.00 C ATOM 197 CG2 ILE A 12 -3.049 -4.445 -5.086 1.00 0.00 C ATOM 198 CD1 ILE A 12 -2.082 -2.900 -2.740 1.00 0.00 C ATOM 0 H ILE A 12 -5.116 -6.567 -3.382 1.00 0.00 H new ATOM 0 HA ILE A 12 -4.523 -4.227 -2.112 1.00 0.00 H new ATOM 0 HB ILE A 12 -3.207 -6.017 -3.667 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -2.400 -4.755 -1.686 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -1.222 -4.863 -2.979 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -2.053 -4.738 -5.420 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -3.797 -4.892 -5.740 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -3.139 -3.359 -5.121 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -1.301 -2.569 -2.056 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -1.839 -2.576 -3.752 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -3.035 -2.466 -2.439 1.00 0.00 H new ATOM 210 N ARG A 13 -5.687 -3.607 -5.121 1.00 0.00 N ATOM 211 CA ARG A 13 -6.287 -2.570 -5.944 1.00 0.00 C ATOM 212 C ARG A 13 -7.712 -2.275 -5.472 1.00 0.00 C ATOM 213 O ARG A 13 -8.044 -1.130 -5.168 1.00 0.00 O ATOM 214 CB ARG A 13 -6.322 -2.987 -7.416 1.00 0.00 C ATOM 215 CG ARG A 13 -6.586 -1.782 -8.321 1.00 0.00 C ATOM 216 CD ARG A 13 -7.522 -2.155 -9.472 1.00 0.00 C ATOM 217 NE ARG A 13 -7.830 -0.956 -10.283 1.00 0.00 N ATOM 218 CZ ARG A 13 -8.762 -0.921 -11.260 1.00 0.00 C ATOM 219 NH1 ARG A 13 -9.485 -2.022 -11.556 1.00 0.00 N ATOM 220 NH2 ARG A 13 -8.954 0.204 -11.921 1.00 0.00 N ATOM 0 H ARG A 13 -5.622 -4.522 -5.567 1.00 0.00 H new ATOM 0 HA ARG A 13 -5.675 -1.674 -5.845 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -5.374 -3.451 -7.689 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -7.099 -3.737 -7.567 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -7.026 -0.974 -7.737 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -5.643 -1.409 -8.721 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -7.057 -2.917 -10.097 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -8.443 -2.584 -9.078 1.00 0.00 H new ATOM 0 HE ARG A 13 -7.305 -0.102 -10.092 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -9.329 -2.888 -11.040 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -10.187 -1.988 -12.295 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -8.403 1.031 -11.692 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -9.654 0.247 -12.662 1.00 0.00 H new ATOM 233 N PHE A 14 -8.516 -3.327 -5.424 1.00 0.00 N ATOM 234 CA PHE A 14 -9.897 -3.195 -4.994 1.00 0.00 C ATOM 235 C PHE A 14 -9.991 -2.402 -3.688 1.00 0.00 C ATOM 236 O PHE A 14 -11.036 -1.832 -3.378 1.00 0.00 O ATOM 237 CB PHE A 14 -10.429 -4.610 -4.757 1.00 0.00 C ATOM 238 CG PHE A 14 -11.947 -4.735 -4.898 1.00 0.00 C ATOM 239 CD1 PHE A 14 -12.543 -4.476 -6.092 1.00 0.00 C ATOM 240 CD2 PHE A 14 -12.701 -5.106 -3.828 1.00 0.00 C ATOM 241 CE1 PHE A 14 -13.952 -4.593 -6.223 1.00 0.00 C ATOM 242 CE2 PHE A 14 -14.110 -5.223 -3.959 1.00 0.00 C ATOM 243 CZ PHE A 14 -14.706 -4.964 -5.154 1.00 0.00 C ATOM 0 H PHE A 14 -8.237 -4.275 -5.676 1.00 0.00 H new ATOM 0 HA PHE A 14 -10.474 -2.665 -5.752 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -9.952 -5.290 -5.463 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -10.139 -4.933 -3.757 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -11.945 -4.181 -6.941 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -12.228 -5.311 -2.879 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -14.425 -4.387 -7.172 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -14.709 -5.518 -3.110 1.00 0.00 H new ATOM 0 HZ PHE A 14 -15.778 -5.053 -5.254 1.00 0.00 H new ATOM 253 N GLN A 15 -8.885 -2.392 -2.958 1.00 0.00 N ATOM 254 CA GLN A 15 -8.830 -1.679 -1.694 1.00 0.00 C ATOM 255 C GLN A 15 -8.595 -0.187 -1.936 1.00 0.00 C ATOM 256 O GLN A 15 -9.383 0.649 -1.494 1.00 0.00 O ATOM 257 CB GLN A 15 -7.749 -2.263 -0.782 1.00 0.00 C ATOM 258 CG GLN A 15 -8.337 -3.311 0.165 1.00 0.00 C ATOM 259 CD GLN A 15 -9.002 -2.647 1.373 1.00 0.00 C ATOM 260 OE1 GLN A 15 -9.247 -1.452 1.400 1.00 0.00 O ATOM 261 NE2 GLN A 15 -9.278 -3.486 2.367 1.00 0.00 N ATOM 0 H GLN A 15 -8.020 -2.866 -3.218 1.00 0.00 H new ATOM 0 HA GLN A 15 -9.789 -1.799 -1.190 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -6.963 -2.715 -1.387 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -7.286 -1.464 -0.203 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -9.068 -3.919 -0.368 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -7.549 -3.984 0.503 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -9.046 -4.475 2.279 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -9.722 -3.140 3.218 1.00 0.00 H new ATOM 270 N THR A 16 -7.509 0.103 -2.637 1.00 0.00 N ATOM 271 CA THR A 16 -7.161 1.480 -2.943 1.00 0.00 C ATOM 272 C THR A 16 -8.397 2.251 -3.412 1.00 0.00 C ATOM 273 O THR A 16 -8.867 3.155 -2.724 1.00 0.00 O ATOM 274 CB THR A 16 -6.028 1.464 -3.971 1.00 0.00 C ATOM 275 OG1 THR A 16 -6.577 0.759 -5.081 1.00 0.00 O ATOM 276 CG2 THR A 16 -4.846 0.599 -3.527 1.00 0.00 C ATOM 0 H THR A 16 -6.858 -0.592 -3.002 1.00 0.00 H new ATOM 0 HA THR A 16 -6.807 2.005 -2.056 1.00 0.00 H new ATOM 0 HB THR A 16 -5.685 2.483 -4.149 1.00 0.00 H new ATOM 0 HG1 THR A 16 -6.734 -0.175 -4.830 1.00 0.00 H new ATOM 0 HG21 THR A 16 -4.070 0.622 -4.292 1.00 0.00 H new ATOM 0 HG22 THR A 16 -4.444 0.986 -2.591 1.00 0.00 H new ATOM 0 HG23 THR A 16 -5.181 -0.428 -3.381 1.00 0.00 H new ATOM 284 N ARG A 17 -8.887 1.864 -4.581 1.00 0.00 N ATOM 285 CA ARG A 17 -10.059 2.507 -5.150 1.00 0.00 C ATOM 286 C ARG A 17 -9.780 3.990 -5.403 1.00 0.00 C ATOM 287 O ARG A 17 -9.164 4.660 -4.576 1.00 0.00 O ATOM 288 CB ARG A 17 -11.267 2.374 -4.220 1.00 0.00 C ATOM 289 CG ARG A 17 -11.551 0.906 -3.897 1.00 0.00 C ATOM 290 CD ARG A 17 -12.334 0.774 -2.589 1.00 0.00 C ATOM 291 NE ARG A 17 -13.633 0.112 -2.842 1.00 0.00 N ATOM 292 CZ ARG A 17 -14.468 -0.312 -1.870 1.00 0.00 C ATOM 293 NH1 ARG A 17 -14.145 -0.147 -0.569 1.00 0.00 N ATOM 294 NH2 ARG A 17 -15.604 -0.891 -2.209 1.00 0.00 N ATOM 0 H ARG A 17 -8.494 1.114 -5.149 1.00 0.00 H new ATOM 0 HA ARG A 17 -10.285 2.010 -6.093 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -11.082 2.924 -3.297 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -12.143 2.823 -4.689 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -12.117 0.454 -4.711 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -10.612 0.359 -3.820 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -11.757 0.197 -1.867 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -12.497 1.759 -2.152 1.00 0.00 H new ATOM 0 HE ARG A 17 -13.915 -0.033 -3.811 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -13.265 0.301 -0.315 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -14.782 -0.470 0.159 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -15.840 -1.013 -3.194 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -16.246 -1.217 -1.486 1.00 0.00 H new ATOM 307 N ARG A 18 -10.248 4.460 -6.551 1.00 0.00 N ATOM 308 CA ARG A 18 -10.056 5.851 -6.923 1.00 0.00 C ATOM 309 C ARG A 18 -10.984 6.752 -6.106 1.00 0.00 C ATOM 310 O ARG A 18 -11.769 7.515 -6.668 1.00 0.00 O ATOM 311 CB ARG A 18 -10.332 6.066 -8.413 1.00 0.00 C ATOM 312 CG ARG A 18 -11.615 5.351 -8.842 1.00 0.00 C ATOM 313 CD ARG A 18 -11.297 4.080 -9.632 1.00 0.00 C ATOM 314 NE ARG A 18 -11.988 2.921 -9.025 1.00 0.00 N ATOM 315 CZ ARG A 18 -13.323 2.847 -8.839 1.00 0.00 C ATOM 316 NH1 ARG A 18 -14.124 3.868 -9.214 1.00 0.00 N ATOM 317 NH2 ARG A 18 -13.834 1.763 -8.287 1.00 0.00 N ATOM 0 H ARG A 18 -10.759 3.902 -7.235 1.00 0.00 H new ATOM 0 HA ARG A 18 -9.017 6.109 -6.716 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -10.419 7.133 -8.620 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -9.491 5.695 -8.999 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -12.206 5.098 -7.962 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -12.222 6.020 -9.452 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -11.611 4.199 -10.669 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -10.221 3.908 -9.642 1.00 0.00 H new ATOM 0 HE ARG A 18 -11.420 2.128 -8.728 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -13.721 4.702 -9.641 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -15.132 3.805 -9.070 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -13.222 0.996 -8.008 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -14.841 1.692 -8.140 1.00 0.00 H new ATOM 330 N GLY A 19 -10.864 6.634 -4.791 1.00 0.00 N ATOM 331 CA GLY A 19 -11.683 7.429 -3.891 1.00 0.00 C ATOM 332 C GLY A 19 -11.305 8.909 -3.969 1.00 0.00 C ATOM 333 O GLY A 19 -12.129 9.779 -3.694 1.00 0.00 O ATOM 0 H GLY A 19 -10.213 6.000 -4.328 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -12.735 7.305 -4.146 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -11.558 7.072 -2.869 1.00 0.00 H new ATOM 337 N LEU A 20 -10.057 9.150 -4.345 1.00 0.00 N ATOM 338 CA LEU A 20 -9.560 10.510 -4.462 1.00 0.00 C ATOM 339 C LEU A 20 -8.753 10.643 -5.755 1.00 0.00 C ATOM 340 O LEU A 20 -7.890 9.814 -6.041 1.00 0.00 O ATOM 341 CB LEU A 20 -8.780 10.905 -3.206 1.00 0.00 C ATOM 342 CG LEU A 20 -9.427 11.975 -2.324 1.00 0.00 C ATOM 343 CD1 LEU A 20 -10.683 11.434 -1.638 1.00 0.00 C ATOM 344 CD2 LEU A 20 -8.422 12.537 -1.317 1.00 0.00 C ATOM 0 H LEU A 20 -9.376 8.426 -4.572 1.00 0.00 H new ATOM 0 HA LEU A 20 -10.389 11.215 -4.529 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -8.624 10.011 -2.603 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -7.795 11.260 -3.510 1.00 0.00 H new ATOM 0 HG LEU A 20 -9.739 12.801 -2.963 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -11.123 12.214 -1.017 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -11.404 11.121 -2.393 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -10.418 10.581 -1.014 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -8.908 13.295 -0.703 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -8.058 11.732 -0.679 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -7.584 12.985 -1.851 1.00 0.00 H new ATOM 356 N LEU A 21 -9.061 11.694 -6.501 1.00 0.00 N ATOM 357 CA LEU A 21 -8.375 11.946 -7.757 1.00 0.00 C ATOM 358 C LEU A 21 -6.897 11.580 -7.608 1.00 0.00 C ATOM 359 O LEU A 21 -6.478 10.496 -8.014 1.00 0.00 O ATOM 360 CB LEU A 21 -8.608 13.388 -8.214 1.00 0.00 C ATOM 361 CG LEU A 21 -7.865 13.818 -9.480 1.00 0.00 C ATOM 362 CD1 LEU A 21 -8.378 13.056 -10.703 1.00 0.00 C ATOM 363 CD2 LEU A 21 -7.945 15.334 -9.675 1.00 0.00 C ATOM 0 H LEU A 21 -9.776 12.380 -6.260 1.00 0.00 H new ATOM 0 HA LEU A 21 -8.782 11.315 -8.547 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -9.676 13.528 -8.378 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -8.320 14.056 -7.403 1.00 0.00 H new ATOM 0 HG LEU A 21 -6.812 13.563 -9.360 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -7.833 13.381 -11.589 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -8.226 11.987 -10.555 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -9.441 13.257 -10.837 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -7.409 15.613 -10.582 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -8.989 15.635 -9.764 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -7.494 15.835 -8.818 1.00 0.00 H new ATOM 375 N GLU A 22 -6.146 12.503 -7.026 1.00 0.00 N ATOM 376 CA GLU A 22 -4.724 12.291 -6.819 1.00 0.00 C ATOM 377 C GLU A 22 -4.454 10.832 -6.447 1.00 0.00 C ATOM 378 O GLU A 22 -3.621 10.173 -7.069 1.00 0.00 O ATOM 379 CB GLU A 22 -4.178 13.239 -5.749 1.00 0.00 C ATOM 380 CG GLU A 22 -2.831 13.827 -6.174 1.00 0.00 C ATOM 381 CD GLU A 22 -3.022 15.128 -6.956 1.00 0.00 C ATOM 382 OE1 GLU A 22 -3.968 15.882 -6.683 1.00 0.00 O ATOM 383 OE2 GLU A 22 -2.145 15.346 -7.876 1.00 0.00 O ATOM 0 H GLU A 22 -6.496 13.400 -6.691 1.00 0.00 H new ATOM 0 HA GLU A 22 -4.204 12.511 -7.752 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -4.891 14.044 -5.573 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -4.064 12.703 -4.807 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -2.218 14.015 -5.292 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -2.293 13.105 -6.788 1.00 0.00 H new ATOM 391 N LEU A 23 -5.173 10.369 -5.435 1.00 0.00 N ATOM 392 CA LEU A 23 -5.022 9.000 -4.974 1.00 0.00 C ATOM 393 C LEU A 23 -5.136 8.048 -6.167 1.00 0.00 C ATOM 394 O LEU A 23 -4.226 7.264 -6.429 1.00 0.00 O ATOM 395 CB LEU A 23 -6.016 8.700 -3.850 1.00 0.00 C ATOM 396 CG LEU A 23 -5.458 7.940 -2.645 1.00 0.00 C ATOM 397 CD1 LEU A 23 -4.149 7.233 -3.001 1.00 0.00 C ATOM 398 CD2 LEU A 23 -5.298 8.868 -1.439 1.00 0.00 C ATOM 0 H LEU A 23 -5.862 10.918 -4.921 1.00 0.00 H new ATOM 0 HA LEU A 23 -4.033 8.851 -4.541 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -6.432 9.644 -3.498 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -6.842 8.124 -4.267 1.00 0.00 H new ATOM 0 HG LEU A 23 -6.175 7.168 -2.366 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -3.774 6.700 -2.127 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -4.327 6.524 -3.809 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -3.412 7.970 -3.320 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -4.900 8.304 -0.596 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -4.612 9.677 -1.691 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -6.268 9.286 -1.170 1.00 0.00 H new ATOM 410 N ASP A 24 -6.263 8.149 -6.857 1.00 0.00 N ATOM 411 CA ASP A 24 -6.508 7.307 -8.016 1.00 0.00 C ATOM 412 C ASP A 24 -5.267 7.306 -8.912 1.00 0.00 C ATOM 413 O ASP A 24 -4.865 6.260 -9.420 1.00 0.00 O ATOM 414 CB ASP A 24 -7.685 7.833 -8.839 1.00 0.00 C ATOM 415 CG ASP A 24 -7.936 7.093 -10.155 1.00 0.00 C ATOM 416 OD1 ASP A 24 -7.672 5.887 -10.270 1.00 0.00 O ATOM 417 OD2 ASP A 24 -8.430 7.816 -11.102 1.00 0.00 O ATOM 0 H ASP A 24 -7.016 8.801 -6.636 1.00 0.00 H new ATOM 0 HA ASP A 24 -6.737 6.302 -7.661 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -8.588 7.778 -8.231 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -7.513 8.887 -9.059 1.00 0.00 H new ATOM 423 N LEU A 25 -4.695 8.489 -9.078 1.00 0.00 N ATOM 424 CA LEU A 25 -3.509 8.638 -9.903 1.00 0.00 C ATOM 425 C LEU A 25 -2.319 7.981 -9.201 1.00 0.00 C ATOM 426 O LEU A 25 -1.639 7.136 -9.782 1.00 0.00 O ATOM 427 CB LEU A 25 -3.280 10.110 -10.253 1.00 0.00 C ATOM 428 CG LEU A 25 -4.534 10.924 -10.578 1.00 0.00 C ATOM 429 CD1 LEU A 25 -4.172 12.365 -10.943 1.00 0.00 C ATOM 430 CD2 LEU A 25 -5.361 10.246 -11.671 1.00 0.00 C ATOM 0 H LEU A 25 -5.031 9.354 -8.655 1.00 0.00 H new ATOM 0 HA LEU A 25 -3.641 8.125 -10.856 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -2.768 10.586 -9.417 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -2.607 10.159 -11.109 1.00 0.00 H new ATOM 0 HG LEU A 25 -5.156 10.965 -9.684 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -5.081 12.922 -11.170 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -3.658 12.835 -10.104 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -3.519 12.366 -11.816 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -6.246 10.846 -11.882 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -4.761 10.153 -12.576 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -5.666 9.255 -11.335 1.00 0.00 H new ATOM 442 N ILE A 26 -2.103 8.394 -7.961 1.00 0.00 N ATOM 443 CA ILE A 26 -1.006 7.856 -7.173 1.00 0.00 C ATOM 444 C ILE A 26 -0.947 6.338 -7.360 1.00 0.00 C ATOM 445 O ILE A 26 0.043 5.810 -7.864 1.00 0.00 O ATOM 446 CB ILE A 26 -1.132 8.291 -5.712 1.00 0.00 C ATOM 447 CG1 ILE A 26 -1.104 9.816 -5.590 1.00 0.00 C ATOM 448 CG2 ILE A 26 -0.059 7.627 -4.847 1.00 0.00 C ATOM 449 CD1 ILE A 26 -1.913 10.284 -4.378 1.00 0.00 C ATOM 0 H ILE A 26 -2.669 9.095 -7.482 1.00 0.00 H new ATOM 0 HA ILE A 26 -0.054 8.258 -7.520 1.00 0.00 H new ATOM 0 HB ILE A 26 -2.099 7.955 -5.338 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -0.073 10.158 -5.498 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -1.509 10.265 -6.497 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -0.172 7.954 -3.813 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -0.168 6.544 -4.899 1.00 0.00 H new ATOM 0 HG23 ILE A 26 0.929 7.910 -5.211 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -1.877 11.372 -4.314 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -2.949 9.961 -4.485 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -1.491 9.853 -3.470 1.00 0.00 H new ATOM 461 N PHE A 27 -2.018 5.680 -6.943 1.00 0.00 N ATOM 462 CA PHE A 27 -2.100 4.234 -7.057 1.00 0.00 C ATOM 463 C PHE A 27 -1.660 3.769 -8.447 1.00 0.00 C ATOM 464 O PHE A 27 -1.236 2.626 -8.617 1.00 0.00 O ATOM 465 CB PHE A 27 -3.566 3.851 -6.845 1.00 0.00 C ATOM 466 CG PHE A 27 -4.051 4.021 -5.404 1.00 0.00 C ATOM 467 CD1 PHE A 27 -3.407 3.385 -4.390 1.00 0.00 C ATOM 468 CD2 PHE A 27 -5.128 4.809 -5.138 1.00 0.00 C ATOM 469 CE1 PHE A 27 -3.857 3.543 -3.053 1.00 0.00 C ATOM 470 CE2 PHE A 27 -5.578 4.967 -3.801 1.00 0.00 C ATOM 471 CZ PHE A 27 -4.933 4.330 -2.786 1.00 0.00 C ATOM 0 H PHE A 27 -2.837 6.122 -6.525 1.00 0.00 H new ATOM 0 HA PHE A 27 -1.447 3.765 -6.322 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -4.188 4.459 -7.501 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -3.707 2.813 -7.145 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -2.553 2.759 -4.602 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -5.640 5.314 -5.944 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -3.344 3.038 -2.248 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -6.432 5.593 -3.589 1.00 0.00 H new ATOM 0 HZ PHE A 27 -5.276 4.450 -1.769 1.00 0.00 H new ATOM 481 N GLY A 28 -1.775 4.677 -9.404 1.00 0.00 N ATOM 482 CA GLY A 28 -1.394 4.374 -10.773 1.00 0.00 C ATOM 483 C GLY A 28 0.094 4.029 -10.865 1.00 0.00 C ATOM 484 O GLY A 28 0.458 2.955 -11.342 1.00 0.00 O ATOM 0 H GLY A 28 -2.127 5.623 -9.259 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -1.988 3.538 -11.143 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -1.613 5.229 -11.413 1.00 0.00 H new ATOM 488 N ARG A 29 0.914 4.961 -10.400 1.00 0.00 N ATOM 489 CA ARG A 29 2.354 4.769 -10.423 1.00 0.00 C ATOM 490 C ARG A 29 2.803 3.969 -9.199 1.00 0.00 C ATOM 491 O ARG A 29 3.795 3.244 -9.256 1.00 0.00 O ATOM 492 CB ARG A 29 3.088 6.111 -10.444 1.00 0.00 C ATOM 493 CG ARG A 29 2.860 6.881 -9.141 1.00 0.00 C ATOM 494 CD ARG A 29 2.522 8.346 -9.422 1.00 0.00 C ATOM 495 NE ARG A 29 2.293 9.066 -8.149 1.00 0.00 N ATOM 496 CZ ARG A 29 1.985 10.377 -8.066 1.00 0.00 C ATOM 497 NH1 ARG A 29 1.865 11.125 -9.183 1.00 0.00 N ATOM 498 NH2 ARG A 29 1.802 10.917 -6.875 1.00 0.00 N ATOM 0 H ARG A 29 0.608 5.851 -10.005 1.00 0.00 H new ATOM 0 HA ARG A 29 2.600 4.219 -11.331 1.00 0.00 H new ATOM 0 HB2 ARG A 29 4.155 5.944 -10.590 1.00 0.00 H new ATOM 0 HB3 ARG A 29 2.740 6.707 -11.288 1.00 0.00 H new ATOM 0 HG2 ARG A 29 2.049 6.418 -8.578 1.00 0.00 H new ATOM 0 HG3 ARG A 29 3.753 6.823 -8.519 1.00 0.00 H new ATOM 0 HD2 ARG A 29 3.336 8.816 -9.974 1.00 0.00 H new ATOM 0 HD3 ARG A 29 1.633 8.409 -10.050 1.00 0.00 H new ATOM 0 HE ARG A 29 2.373 8.538 -7.280 1.00 0.00 H new ATOM 0 HH11 ARG A 29 2.007 10.700 -10.099 1.00 0.00 H new ATOM 0 HH12 ARG A 29 1.632 12.115 -9.111 1.00 0.00 H new ATOM 0 HH21 ARG A 29 1.894 10.344 -6.036 1.00 0.00 H new ATOM 0 HH22 ARG A 29 1.569 11.907 -6.794 1.00 0.00 H new ATOM 511 N PHE A 30 2.050 4.127 -8.120 1.00 0.00 N ATOM 512 CA PHE A 30 2.358 3.428 -6.884 1.00 0.00 C ATOM 513 C PHE A 30 2.233 1.914 -7.064 1.00 0.00 C ATOM 514 O PHE A 30 3.062 1.155 -6.566 1.00 0.00 O ATOM 515 CB PHE A 30 1.339 3.892 -5.842 1.00 0.00 C ATOM 516 CG PHE A 30 0.876 2.787 -4.890 1.00 0.00 C ATOM 517 CD1 PHE A 30 -0.069 1.895 -5.291 1.00 0.00 C ATOM 518 CD2 PHE A 30 1.410 2.697 -3.642 1.00 0.00 C ATOM 519 CE1 PHE A 30 -0.499 0.870 -4.407 1.00 0.00 C ATOM 520 CE2 PHE A 30 0.980 1.672 -2.758 1.00 0.00 C ATOM 521 CZ PHE A 30 0.035 0.780 -3.159 1.00 0.00 C ATOM 0 H PHE A 30 1.228 4.729 -8.076 1.00 0.00 H new ATOM 0 HA PHE A 30 3.381 3.647 -6.578 1.00 0.00 H new ATOM 0 HB2 PHE A 30 1.775 4.702 -5.257 1.00 0.00 H new ATOM 0 HB3 PHE A 30 0.470 4.302 -6.356 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -0.493 1.966 -6.282 1.00 0.00 H new ATOM 0 HD2 PHE A 30 2.161 3.405 -3.324 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -1.250 0.162 -4.725 1.00 0.00 H new ATOM 0 HE2 PHE A 30 1.404 1.601 -1.767 1.00 0.00 H new ATOM 0 HZ PHE A 30 -0.291 0.000 -2.487 1.00 0.00 H new ATOM 531 N MET A 31 1.189 1.519 -7.779 1.00 0.00 N ATOM 532 CA MET A 31 0.944 0.110 -8.031 1.00 0.00 C ATOM 533 C MET A 31 2.011 -0.475 -8.959 1.00 0.00 C ATOM 534 O MET A 31 2.673 -1.452 -8.612 1.00 0.00 O ATOM 535 CB MET A 31 -0.436 -0.063 -8.668 1.00 0.00 C ATOM 536 CG MET A 31 -1.534 -0.077 -7.602 1.00 0.00 C ATOM 537 SD MET A 31 -2.936 -1.017 -8.182 1.00 0.00 S ATOM 538 CE MET A 31 -3.712 0.200 -9.232 1.00 0.00 C ATOM 0 H MET A 31 0.503 2.151 -8.192 1.00 0.00 H new ATOM 0 HA MET A 31 0.984 -0.422 -7.080 1.00 0.00 H new ATOM 0 HB2 MET A 31 -0.619 0.748 -9.373 1.00 0.00 H new ATOM 0 HB3 MET A 31 -0.464 -0.993 -9.237 1.00 0.00 H new ATOM 0 HG2 MET A 31 -1.151 -0.512 -6.679 1.00 0.00 H new ATOM 0 HG3 MET A 31 -1.840 0.943 -7.370 1.00 0.00 H new ATOM 0 HE1 MET A 31 -4.235 -0.302 -10.046 1.00 0.00 H new ATOM 0 HE2 MET A 31 -4.425 0.783 -8.648 1.00 0.00 H new ATOM 0 HE3 MET A 31 -2.951 0.863 -9.644 1.00 0.00 H new ATOM 548 N GLU A 32 2.146 0.148 -10.120 1.00 0.00 N ATOM 549 CA GLU A 32 3.121 -0.297 -11.101 1.00 0.00 C ATOM 550 C GLU A 32 4.470 -0.556 -10.427 1.00 0.00 C ATOM 551 O GLU A 32 5.278 -1.338 -10.926 1.00 0.00 O ATOM 552 CB GLU A 32 3.260 0.718 -12.237 1.00 0.00 C ATOM 553 CG GLU A 32 3.273 0.019 -13.598 1.00 0.00 C ATOM 554 CD GLU A 32 3.560 1.016 -14.723 1.00 0.00 C ATOM 555 OE1 GLU A 32 4.727 1.216 -15.091 1.00 0.00 O ATOM 556 OE2 GLU A 32 2.518 1.592 -15.220 1.00 0.00 O ATOM 0 H GLU A 32 1.596 0.959 -10.404 1.00 0.00 H new ATOM 0 HA GLU A 32 2.769 -1.232 -11.537 1.00 0.00 H new ATOM 0 HB2 GLU A 32 2.435 1.429 -12.197 1.00 0.00 H new ATOM 0 HB3 GLU A 32 4.179 1.289 -12.109 1.00 0.00 H new ATOM 0 HG2 GLU A 32 4.030 -0.766 -13.601 1.00 0.00 H new ATOM 0 HG3 GLU A 32 2.312 -0.464 -13.772 1.00 0.00 H new ATOM 564 N LYS A 33 4.673 0.117 -9.304 1.00 0.00 N ATOM 565 CA LYS A 33 5.911 -0.030 -8.557 1.00 0.00 C ATOM 566 C LYS A 33 5.721 -1.085 -7.466 1.00 0.00 C ATOM 567 O LYS A 33 6.435 -2.086 -7.435 1.00 0.00 O ATOM 568 CB LYS A 33 6.381 1.327 -8.026 1.00 0.00 C ATOM 569 CG LYS A 33 7.652 1.786 -8.744 1.00 0.00 C ATOM 570 CD LYS A 33 7.321 2.765 -9.872 1.00 0.00 C ATOM 571 CE LYS A 33 7.373 4.211 -9.375 1.00 0.00 C ATOM 572 NZ LYS A 33 8.763 4.719 -9.400 1.00 0.00 N ATOM 0 H LYS A 33 4.001 0.765 -8.893 1.00 0.00 H new ATOM 0 HA LYS A 33 6.709 -0.385 -9.209 1.00 0.00 H new ATOM 0 HB2 LYS A 33 5.594 2.068 -8.164 1.00 0.00 H new ATOM 0 HB3 LYS A 33 6.569 1.257 -6.955 1.00 0.00 H new ATOM 0 HG2 LYS A 33 8.325 2.262 -8.031 1.00 0.00 H new ATOM 0 HG3 LYS A 33 8.177 0.921 -9.150 1.00 0.00 H new ATOM 0 HD2 LYS A 33 8.027 2.633 -10.692 1.00 0.00 H new ATOM 0 HD3 LYS A 33 6.329 2.548 -10.267 1.00 0.00 H new ATOM 0 HE2 LYS A 33 6.739 4.839 -10.000 1.00 0.00 H new ATOM 0 HE3 LYS A 33 6.977 4.268 -8.361 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 8.780 5.702 -9.060 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 9.359 4.129 -8.785 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 9.128 4.684 -10.373 1.00 0.00 H new ATOM 585 N GLU A 34 4.755 -0.824 -6.597 1.00 0.00 N ATOM 586 CA GLU A 34 4.463 -1.739 -5.507 1.00 0.00 C ATOM 587 C GLU A 34 3.716 -2.968 -6.031 1.00 0.00 C ATOM 588 O GLU A 34 4.299 -4.043 -6.164 1.00 0.00 O ATOM 589 CB GLU A 34 3.664 -1.041 -4.405 1.00 0.00 C ATOM 590 CG GLU A 34 4.576 -0.617 -3.251 1.00 0.00 C ATOM 591 CD GLU A 34 4.861 0.885 -3.301 1.00 0.00 C ATOM 592 OE1 GLU A 34 4.365 1.581 -4.200 1.00 0.00 O ATOM 593 OE2 GLU A 34 5.629 1.325 -2.363 1.00 0.00 O ATOM 0 H GLU A 34 4.165 0.008 -6.626 1.00 0.00 H new ATOM 0 HA GLU A 34 5.407 -2.069 -5.073 1.00 0.00 H new ATOM 0 HB2 GLU A 34 3.160 -0.166 -4.815 1.00 0.00 H new ATOM 0 HB3 GLU A 34 2.889 -1.711 -4.033 1.00 0.00 H new ATOM 0 HG2 GLU A 34 4.107 -0.870 -2.300 1.00 0.00 H new ATOM 0 HG3 GLU A 34 5.514 -1.171 -3.301 1.00 0.00 H new ATOM 601 N PHE A 35 2.437 -2.767 -6.314 1.00 0.00 N ATOM 602 CA PHE A 35 1.605 -3.845 -6.820 1.00 0.00 C ATOM 603 C PHE A 35 2.358 -4.677 -7.860 1.00 0.00 C ATOM 604 O PHE A 35 2.025 -5.839 -8.090 1.00 0.00 O ATOM 605 CB PHE A 35 0.390 -3.196 -7.487 1.00 0.00 C ATOM 606 CG PHE A 35 -0.240 -4.046 -8.593 1.00 0.00 C ATOM 607 CD1 PHE A 35 0.348 -4.112 -9.818 1.00 0.00 C ATOM 608 CD2 PHE A 35 -1.388 -4.734 -8.352 1.00 0.00 C ATOM 609 CE1 PHE A 35 -0.237 -4.900 -10.844 1.00 0.00 C ATOM 610 CE2 PHE A 35 -1.973 -5.522 -9.378 1.00 0.00 C ATOM 611 CZ PHE A 35 -1.385 -5.588 -10.603 1.00 0.00 C ATOM 0 H PHE A 35 1.957 -1.874 -6.202 1.00 0.00 H new ATOM 0 HA PHE A 35 1.317 -4.507 -6.004 1.00 0.00 H new ATOM 0 HB2 PHE A 35 -0.363 -2.991 -6.726 1.00 0.00 H new ATOM 0 HB3 PHE A 35 0.688 -2.235 -7.906 1.00 0.00 H new ATOM 0 HD1 PHE A 35 1.259 -3.565 -10.010 1.00 0.00 H new ATOM 0 HD2 PHE A 35 -1.855 -4.681 -7.380 1.00 0.00 H new ATOM 0 HE1 PHE A 35 0.230 -4.953 -11.816 1.00 0.00 H new ATOM 0 HE2 PHE A 35 -2.884 -6.069 -9.186 1.00 0.00 H new ATOM 0 HZ PHE A 35 -1.830 -6.187 -11.384 1.00 0.00 H new ATOM 621 N GLU A 36 3.359 -4.051 -8.460 1.00 0.00 N ATOM 622 CA GLU A 36 4.163 -4.719 -9.470 1.00 0.00 C ATOM 623 C GLU A 36 4.291 -6.209 -9.145 1.00 0.00 C ATOM 624 O GLU A 36 3.706 -7.049 -9.826 1.00 0.00 O ATOM 625 CB GLU A 36 5.540 -4.065 -9.597 1.00 0.00 C ATOM 626 CG GLU A 36 6.187 -4.405 -10.941 1.00 0.00 C ATOM 627 CD GLU A 36 5.508 -3.648 -12.084 1.00 0.00 C ATOM 628 OE1 GLU A 36 4.322 -3.878 -12.362 1.00 0.00 O ATOM 629 OE2 GLU A 36 6.258 -2.792 -12.691 1.00 0.00 O ATOM 0 H GLU A 36 3.632 -3.088 -8.266 1.00 0.00 H new ATOM 0 HA GLU A 36 3.660 -4.618 -10.432 1.00 0.00 H new ATOM 0 HB2 GLU A 36 5.443 -2.984 -9.499 1.00 0.00 H new ATOM 0 HB3 GLU A 36 6.183 -4.402 -8.784 1.00 0.00 H new ATOM 0 HG2 GLU A 36 7.247 -4.153 -10.912 1.00 0.00 H new ATOM 0 HG3 GLU A 36 6.119 -5.478 -11.120 1.00 0.00 H new ATOM 637 N HIS A 37 5.061 -6.490 -8.104 1.00 0.00 N ATOM 638 CA HIS A 37 5.274 -7.864 -7.680 1.00 0.00 C ATOM 639 C HIS A 37 5.389 -7.919 -6.156 1.00 0.00 C ATOM 640 O HIS A 37 6.389 -8.395 -5.621 1.00 0.00 O ATOM 641 CB HIS A 37 6.488 -8.469 -8.388 1.00 0.00 C ATOM 642 CG HIS A 37 6.243 -9.844 -8.962 1.00 0.00 C ATOM 643 ND1 HIS A 37 7.167 -10.870 -8.871 1.00 0.00 N ATOM 644 CD2 HIS A 37 5.169 -10.351 -9.633 1.00 0.00 C ATOM 645 CE1 HIS A 37 6.662 -11.941 -9.465 1.00 0.00 C ATOM 646 NE2 HIS A 37 5.424 -11.617 -9.937 1.00 0.00 N ATOM 0 H HIS A 37 5.545 -5.790 -7.542 1.00 0.00 H new ATOM 0 HA HIS A 37 4.417 -8.474 -7.967 1.00 0.00 H new ATOM 0 HB2 HIS A 37 6.797 -7.801 -9.192 1.00 0.00 H new ATOM 0 HB3 HIS A 37 7.317 -8.524 -7.683 1.00 0.00 H new ATOM 0 HD2 HIS A 37 4.264 -9.813 -9.876 1.00 0.00 H new ATOM 0 HE1 HIS A 37 7.146 -12.902 -9.559 1.00 0.00 H new ATOM 0 HE2 HIS A 37 4.797 -12.245 -10.441 1.00 0.00 H new ATOM 654 N LEU A 38 4.350 -7.425 -5.498 1.00 0.00 N ATOM 655 CA LEU A 38 4.321 -7.412 -4.045 1.00 0.00 C ATOM 656 C LEU A 38 4.515 -8.837 -3.523 1.00 0.00 C ATOM 657 O LEU A 38 3.900 -9.775 -4.027 1.00 0.00 O ATOM 658 CB LEU A 38 3.043 -6.740 -3.541 1.00 0.00 C ATOM 659 CG LEU A 38 2.873 -5.263 -3.903 1.00 0.00 C ATOM 660 CD1 LEU A 38 1.518 -4.734 -3.429 1.00 0.00 C ATOM 661 CD2 LEU A 38 4.035 -4.428 -3.363 1.00 0.00 C ATOM 0 H LEU A 38 3.522 -7.031 -5.945 1.00 0.00 H new ATOM 0 HA LEU A 38 5.143 -6.814 -3.652 1.00 0.00 H new ATOM 0 HB2 LEU A 38 2.188 -7.290 -3.934 1.00 0.00 H new ATOM 0 HB3 LEU A 38 3.011 -6.833 -2.455 1.00 0.00 H new ATOM 0 HG LEU A 38 2.891 -5.174 -4.989 1.00 0.00 H new ATOM 0 HD11 LEU A 38 1.423 -3.682 -3.699 1.00 0.00 H new ATOM 0 HD12 LEU A 38 0.719 -5.304 -3.903 1.00 0.00 H new ATOM 0 HD13 LEU A 38 1.445 -4.839 -2.346 1.00 0.00 H new ATOM 0 HD21 LEU A 38 3.889 -3.383 -3.635 1.00 0.00 H new ATOM 0 HD22 LEU A 38 4.075 -4.519 -2.278 1.00 0.00 H new ATOM 0 HD23 LEU A 38 4.971 -4.787 -3.792 1.00 0.00 H new ATOM 673 N SER A 39 5.372 -8.953 -2.519 1.00 0.00 N ATOM 674 CA SER A 39 5.654 -10.248 -1.923 1.00 0.00 C ATOM 675 C SER A 39 4.455 -10.715 -1.095 1.00 0.00 C ATOM 676 O SER A 39 3.527 -9.946 -0.851 1.00 0.00 O ATOM 677 CB SER A 39 6.911 -10.191 -1.052 1.00 0.00 C ATOM 678 OG SER A 39 7.951 -9.434 -1.664 1.00 0.00 O ATOM 0 H SER A 39 5.880 -8.172 -2.104 1.00 0.00 H new ATOM 0 HA SER A 39 5.833 -10.963 -2.726 1.00 0.00 H new ATOM 0 HB2 SER A 39 6.663 -9.751 -0.086 1.00 0.00 H new ATOM 0 HB3 SER A 39 7.265 -11.204 -0.860 1.00 0.00 H new ATOM 0 HG SER A 39 8.658 -9.259 -1.008 1.00 0.00 H new ATOM 684 N ASP A 40 4.514 -11.974 -0.685 1.00 0.00 N ATOM 685 CA ASP A 40 3.445 -12.553 0.111 1.00 0.00 C ATOM 686 C ASP A 40 3.407 -11.871 1.480 1.00 0.00 C ATOM 687 O ASP A 40 2.362 -11.382 1.905 1.00 0.00 O ATOM 688 CB ASP A 40 3.672 -14.049 0.334 1.00 0.00 C ATOM 689 CG ASP A 40 2.562 -14.764 1.107 1.00 0.00 C ATOM 690 OD1 ASP A 40 1.832 -14.144 1.895 1.00 0.00 O ATOM 691 OD2 ASP A 40 2.460 -16.028 0.871 1.00 0.00 O ATOM 0 H ASP A 40 5.286 -12.609 -0.889 1.00 0.00 H new ATOM 0 HA ASP A 40 2.508 -12.407 -0.426 1.00 0.00 H new ATOM 0 HB2 ASP A 40 3.787 -14.532 -0.636 1.00 0.00 H new ATOM 0 HB3 ASP A 40 4.611 -14.183 0.870 1.00 0.00 H new ATOM 697 N LYS A 41 4.560 -11.860 2.132 1.00 0.00 N ATOM 698 CA LYS A 41 4.673 -11.246 3.444 1.00 0.00 C ATOM 699 C LYS A 41 4.418 -9.743 3.323 1.00 0.00 C ATOM 700 O LYS A 41 3.770 -9.148 4.183 1.00 0.00 O ATOM 701 CB LYS A 41 6.019 -11.592 4.084 1.00 0.00 C ATOM 702 CG LYS A 41 6.149 -10.950 5.467 1.00 0.00 C ATOM 703 CD LYS A 41 7.608 -10.935 5.929 1.00 0.00 C ATOM 704 CE LYS A 41 8.311 -9.652 5.482 1.00 0.00 C ATOM 705 NZ LYS A 41 9.780 -9.804 5.583 1.00 0.00 N ATOM 0 H LYS A 41 5.425 -12.267 1.776 1.00 0.00 H new ATOM 0 HA LYS A 41 3.914 -11.645 4.117 1.00 0.00 H new ATOM 0 HB2 LYS A 41 6.117 -12.674 4.171 1.00 0.00 H new ATOM 0 HB3 LYS A 41 6.830 -11.249 3.442 1.00 0.00 H new ATOM 0 HG2 LYS A 41 5.763 -9.931 5.437 1.00 0.00 H new ATOM 0 HG3 LYS A 41 5.542 -11.500 6.186 1.00 0.00 H new ATOM 0 HD2 LYS A 41 7.650 -11.018 7.015 1.00 0.00 H new ATOM 0 HD3 LYS A 41 8.131 -11.801 5.523 1.00 0.00 H new ATOM 0 HE2 LYS A 41 8.034 -9.417 4.454 1.00 0.00 H new ATOM 0 HE3 LYS A 41 7.983 -8.816 6.100 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 10.242 -8.924 5.276 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 10.041 -10.006 6.569 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 10.090 -10.589 4.975 1.00 0.00 H new ATOM 718 N GLU A 42 4.940 -9.171 2.247 1.00 0.00 N ATOM 719 CA GLU A 42 4.777 -7.748 2.002 1.00 0.00 C ATOM 720 C GLU A 42 3.302 -7.415 1.769 1.00 0.00 C ATOM 721 O GLU A 42 2.806 -6.402 2.257 1.00 0.00 O ATOM 722 CB GLU A 42 5.636 -7.294 0.820 1.00 0.00 C ATOM 723 CG GLU A 42 7.079 -7.037 1.258 1.00 0.00 C ATOM 724 CD GLU A 42 8.055 -7.300 0.109 1.00 0.00 C ATOM 725 OE1 GLU A 42 8.875 -8.227 0.192 1.00 0.00 O ATOM 726 OE2 GLU A 42 7.941 -6.501 -0.897 1.00 0.00 O ATOM 0 H GLU A 42 5.476 -9.668 1.535 1.00 0.00 H new ATOM 0 HA GLU A 42 5.116 -7.205 2.884 1.00 0.00 H new ATOM 0 HB2 GLU A 42 5.619 -8.055 0.040 1.00 0.00 H new ATOM 0 HB3 GLU A 42 5.216 -6.386 0.388 1.00 0.00 H new ATOM 0 HG2 GLU A 42 7.182 -6.007 1.599 1.00 0.00 H new ATOM 0 HG3 GLU A 42 7.326 -7.678 2.104 1.00 0.00 H new ATOM 734 N LEU A 43 2.643 -8.288 1.021 1.00 0.00 N ATOM 735 CA LEU A 43 1.235 -8.100 0.717 1.00 0.00 C ATOM 736 C LEU A 43 0.448 -7.968 2.023 1.00 0.00 C ATOM 737 O LEU A 43 -0.398 -7.085 2.156 1.00 0.00 O ATOM 738 CB LEU A 43 0.729 -9.220 -0.195 1.00 0.00 C ATOM 739 CG LEU A 43 0.965 -9.022 -1.693 1.00 0.00 C ATOM 740 CD1 LEU A 43 0.853 -10.350 -2.446 1.00 0.00 C ATOM 741 CD2 LEU A 43 0.022 -7.960 -2.262 1.00 0.00 C ATOM 0 H LEU A 43 3.058 -9.127 0.617 1.00 0.00 H new ATOM 0 HA LEU A 43 1.086 -7.175 0.160 1.00 0.00 H new ATOM 0 HB2 LEU A 43 1.206 -10.152 0.108 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -0.341 -9.341 -0.029 1.00 0.00 H new ATOM 0 HG LEU A 43 1.982 -8.657 -1.832 1.00 0.00 H new ATOM 0 HD11 LEU A 43 1.025 -10.181 -3.509 1.00 0.00 H new ATOM 0 HD12 LEU A 43 1.598 -11.049 -2.064 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -0.144 -10.767 -2.302 1.00 0.00 H new ATOM 0 HD21 LEU A 43 0.211 -7.839 -3.329 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -1.011 -8.272 -2.110 1.00 0.00 H new ATOM 0 HD23 LEU A 43 0.193 -7.011 -1.753 1.00 0.00 H new ATOM 753 N SER A 44 0.755 -8.859 2.954 1.00 0.00 N ATOM 754 CA SER A 44 0.088 -8.853 4.245 1.00 0.00 C ATOM 755 C SER A 44 0.114 -7.444 4.841 1.00 0.00 C ATOM 756 O SER A 44 -0.900 -6.959 5.341 1.00 0.00 O ATOM 757 CB SER A 44 0.740 -9.848 5.207 1.00 0.00 C ATOM 758 OG SER A 44 0.012 -9.968 6.426 1.00 0.00 O ATOM 0 H SER A 44 1.457 -9.590 2.840 1.00 0.00 H new ATOM 0 HA SER A 44 -0.948 -9.159 4.096 1.00 0.00 H new ATOM 0 HB2 SER A 44 0.808 -10.825 4.728 1.00 0.00 H new ATOM 0 HB3 SER A 44 1.759 -9.528 5.424 1.00 0.00 H new ATOM 0 HG SER A 44 0.460 -10.613 7.012 1.00 0.00 H new ATOM 764 N GLU A 45 1.284 -6.826 4.767 1.00 0.00 N ATOM 765 CA GLU A 45 1.455 -5.482 5.293 1.00 0.00 C ATOM 766 C GLU A 45 0.480 -4.518 4.613 1.00 0.00 C ATOM 767 O GLU A 45 -0.362 -3.912 5.274 1.00 0.00 O ATOM 768 CB GLU A 45 2.900 -5.009 5.128 1.00 0.00 C ATOM 769 CG GLU A 45 3.879 -6.006 5.752 1.00 0.00 C ATOM 770 CD GLU A 45 3.318 -6.582 7.054 1.00 0.00 C ATOM 771 OE1 GLU A 45 2.778 -5.833 7.881 1.00 0.00 O ATOM 772 OE2 GLU A 45 3.459 -7.857 7.191 1.00 0.00 O ATOM 0 H GLU A 45 2.123 -7.231 4.351 1.00 0.00 H new ATOM 0 HA GLU A 45 1.233 -5.499 6.360 1.00 0.00 H new ATOM 0 HB2 GLU A 45 3.127 -4.885 4.069 1.00 0.00 H new ATOM 0 HB3 GLU A 45 3.022 -4.032 5.596 1.00 0.00 H new ATOM 0 HG2 GLU A 45 4.078 -6.814 5.049 1.00 0.00 H new ATOM 0 HG3 GLU A 45 4.831 -5.512 5.949 1.00 0.00 H new ATOM 780 N PHE A 46 0.627 -4.406 3.301 1.00 0.00 N ATOM 781 CA PHE A 46 -0.229 -3.526 2.525 1.00 0.00 C ATOM 782 C PHE A 46 -1.695 -3.687 2.933 1.00 0.00 C ATOM 783 O PHE A 46 -2.408 -2.699 3.102 1.00 0.00 O ATOM 784 CB PHE A 46 -0.073 -3.930 1.057 1.00 0.00 C ATOM 785 CG PHE A 46 0.590 -2.862 0.185 1.00 0.00 C ATOM 786 CD1 PHE A 46 0.203 -1.562 0.290 1.00 0.00 C ATOM 787 CD2 PHE A 46 1.565 -3.212 -0.696 1.00 0.00 C ATOM 788 CE1 PHE A 46 0.818 -0.571 -0.520 1.00 0.00 C ATOM 789 CE2 PHE A 46 2.179 -2.221 -1.506 1.00 0.00 C ATOM 790 CZ PHE A 46 1.793 -0.921 -1.401 1.00 0.00 C ATOM 0 H PHE A 46 1.326 -4.910 2.756 1.00 0.00 H new ATOM 0 HA PHE A 46 0.055 -2.487 2.694 1.00 0.00 H new ATOM 0 HB2 PHE A 46 0.516 -4.845 1.003 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -1.057 -4.160 0.647 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -0.572 -1.284 0.989 1.00 0.00 H new ATOM 0 HD2 PHE A 46 1.872 -4.244 -0.779 1.00 0.00 H new ATOM 0 HE1 PHE A 46 0.511 0.461 -0.436 1.00 0.00 H new ATOM 0 HE2 PHE A 46 2.953 -2.499 -2.206 1.00 0.00 H new ATOM 0 HZ PHE A 46 2.261 -0.167 -2.017 1.00 0.00 H new ATOM 800 N SER A 47 -2.101 -4.940 3.079 1.00 0.00 N ATOM 801 CA SER A 47 -3.469 -5.243 3.464 1.00 0.00 C ATOM 802 C SER A 47 -3.822 -4.511 4.760 1.00 0.00 C ATOM 803 O SER A 47 -4.972 -4.128 4.967 1.00 0.00 O ATOM 804 CB SER A 47 -3.672 -6.750 3.633 1.00 0.00 C ATOM 805 OG SER A 47 -2.511 -7.490 3.264 1.00 0.00 O ATOM 0 H SER A 47 -1.507 -5.757 2.938 1.00 0.00 H new ATOM 0 HA SER A 47 -4.132 -4.901 2.669 1.00 0.00 H new ATOM 0 HB2 SER A 47 -3.926 -6.967 4.670 1.00 0.00 H new ATOM 0 HB3 SER A 47 -4.516 -7.073 3.024 1.00 0.00 H new ATOM 0 HG SER A 47 -2.183 -7.173 2.396 1.00 0.00 H new ATOM 811 N GLU A 48 -2.811 -4.339 5.599 1.00 0.00 N ATOM 812 CA GLU A 48 -3.001 -3.660 6.870 1.00 0.00 C ATOM 813 C GLU A 48 -3.075 -2.147 6.657 1.00 0.00 C ATOM 814 O GLU A 48 -3.871 -1.464 7.300 1.00 0.00 O ATOM 815 CB GLU A 48 -1.889 -4.021 7.856 1.00 0.00 C ATOM 816 CG GLU A 48 -2.401 -4.977 8.935 1.00 0.00 C ATOM 817 CD GLU A 48 -3.363 -4.263 9.887 1.00 0.00 C ATOM 818 OE1 GLU A 48 -4.571 -4.541 9.872 1.00 0.00 O ATOM 819 OE2 GLU A 48 -2.814 -3.392 10.664 1.00 0.00 O ATOM 0 H GLU A 48 -1.858 -4.658 5.424 1.00 0.00 H new ATOM 0 HA GLU A 48 -3.945 -3.993 7.300 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -1.059 -4.482 7.321 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -1.503 -3.114 8.322 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -2.906 -5.822 8.467 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -1.559 -5.381 9.498 1.00 0.00 H new ATOM 827 N ILE A 49 -2.236 -1.667 5.751 1.00 0.00 N ATOM 828 CA ILE A 49 -2.196 -0.247 5.445 1.00 0.00 C ATOM 829 C ILE A 49 -3.413 0.121 4.594 1.00 0.00 C ATOM 830 O ILE A 49 -4.140 1.059 4.917 1.00 0.00 O ATOM 831 CB ILE A 49 -0.859 0.125 4.800 1.00 0.00 C ATOM 832 CG1 ILE A 49 -0.030 1.013 5.731 1.00 0.00 C ATOM 833 CG2 ILE A 49 -1.073 0.772 3.431 1.00 0.00 C ATOM 834 CD1 ILE A 49 1.326 1.346 5.105 1.00 0.00 C ATOM 0 H ILE A 49 -1.578 -2.236 5.219 1.00 0.00 H new ATOM 0 HA ILE A 49 -2.256 0.342 6.360 1.00 0.00 H new ATOM 0 HB ILE A 49 -0.290 -0.791 4.638 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -0.574 1.934 5.941 1.00 0.00 H new ATOM 0 HG13 ILE A 49 0.120 0.507 6.685 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -0.107 1.027 2.994 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -1.595 0.074 2.776 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -1.670 1.677 3.546 1.00 0.00 H new ATOM 0 HD11 ILE A 49 1.896 1.978 5.786 1.00 0.00 H new ATOM 0 HD12 ILE A 49 1.877 0.424 4.919 1.00 0.00 H new ATOM 0 HD13 ILE A 49 1.172 1.874 4.164 1.00 0.00 H new ATOM 846 N LEU A 50 -3.597 -0.637 3.523 1.00 0.00 N ATOM 847 CA LEU A 50 -4.714 -0.402 2.623 1.00 0.00 C ATOM 848 C LEU A 50 -5.994 -0.224 3.442 1.00 0.00 C ATOM 849 O LEU A 50 -6.937 0.427 2.992 1.00 0.00 O ATOM 850 CB LEU A 50 -4.802 -1.515 1.578 1.00 0.00 C ATOM 851 CG LEU A 50 -3.563 -1.715 0.703 1.00 0.00 C ATOM 852 CD1 LEU A 50 -3.419 -3.178 0.280 1.00 0.00 C ATOM 853 CD2 LEU A 50 -3.583 -0.770 -0.500 1.00 0.00 C ATOM 0 H LEU A 50 -2.992 -1.414 3.258 1.00 0.00 H new ATOM 0 HA LEU A 50 -4.564 0.520 2.061 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -5.014 -2.452 2.092 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -5.652 -1.309 0.928 1.00 0.00 H new ATOM 0 HG LEU A 50 -2.683 -1.464 1.296 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -2.530 -3.291 -0.341 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -3.325 -3.805 1.166 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -4.299 -3.481 -0.287 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -2.691 -0.933 -1.105 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -4.471 -0.966 -1.102 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -3.601 0.263 -0.151 1.00 0.00 H new ATOM 865 N GLU A 51 -5.986 -0.812 4.629 1.00 0.00 N ATOM 866 CA GLU A 51 -7.135 -0.726 5.514 1.00 0.00 C ATOM 867 C GLU A 51 -7.778 0.659 5.417 1.00 0.00 C ATOM 868 O GLU A 51 -9.001 0.783 5.451 1.00 0.00 O ATOM 869 CB GLU A 51 -6.741 -1.048 6.957 1.00 0.00 C ATOM 870 CG GLU A 51 -6.547 -2.553 7.149 1.00 0.00 C ATOM 871 CD GLU A 51 -7.706 -3.159 7.943 1.00 0.00 C ATOM 872 OE1 GLU A 51 -8.146 -2.572 8.944 1.00 0.00 O ATOM 873 OE2 GLU A 51 -8.153 -4.279 7.487 1.00 0.00 O ATOM 0 H GLU A 51 -5.202 -1.350 4.999 1.00 0.00 H new ATOM 0 HA GLU A 51 -7.868 -1.468 5.198 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -5.820 -0.523 7.212 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -7.512 -0.687 7.638 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -6.473 -3.041 6.177 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -5.608 -2.739 7.671 1.00 0.00 H new ATOM 881 N PHE A 52 -6.924 1.665 5.297 1.00 0.00 N ATOM 882 CA PHE A 52 -7.393 3.036 5.195 1.00 0.00 C ATOM 883 C PHE A 52 -7.757 3.385 3.750 1.00 0.00 C ATOM 884 O PHE A 52 -7.188 2.830 2.812 1.00 0.00 O ATOM 885 CB PHE A 52 -6.244 3.937 5.651 1.00 0.00 C ATOM 886 CG PHE A 52 -6.334 4.368 7.116 1.00 0.00 C ATOM 887 CD1 PHE A 52 -7.490 4.896 7.600 1.00 0.00 C ATOM 888 CD2 PHE A 52 -5.258 4.221 7.935 1.00 0.00 C ATOM 889 CE1 PHE A 52 -7.573 5.296 8.960 1.00 0.00 C ATOM 890 CE2 PHE A 52 -5.342 4.620 9.295 1.00 0.00 C ATOM 891 CZ PHE A 52 -6.497 5.149 9.779 1.00 0.00 C ATOM 0 H PHE A 52 -5.910 1.558 5.268 1.00 0.00 H new ATOM 0 HA PHE A 52 -8.284 3.171 5.808 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -5.301 3.413 5.495 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -6.222 4.827 5.022 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -8.345 5.011 6.950 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -4.340 3.801 7.551 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -8.490 5.717 9.344 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -4.488 4.503 9.945 1.00 0.00 H new ATOM 0 HZ PHE A 52 -6.560 5.452 10.814 1.00 0.00 H new ATOM 901 N GLN A 53 -8.704 4.302 3.617 1.00 0.00 N ATOM 902 CA GLN A 53 -9.151 4.731 2.303 1.00 0.00 C ATOM 903 C GLN A 53 -8.249 5.849 1.775 1.00 0.00 C ATOM 904 O GLN A 53 -7.336 6.295 2.468 1.00 0.00 O ATOM 905 CB GLN A 53 -10.614 5.178 2.340 1.00 0.00 C ATOM 906 CG GLN A 53 -11.451 4.242 3.214 1.00 0.00 C ATOM 907 CD GLN A 53 -12.620 3.653 2.423 1.00 0.00 C ATOM 908 OE1 GLN A 53 -12.552 3.451 1.222 1.00 0.00 O ATOM 909 NE2 GLN A 53 -13.694 3.388 3.162 1.00 0.00 N ATOM 0 H GLN A 53 -9.174 4.760 4.398 1.00 0.00 H new ATOM 0 HA GLN A 53 -9.082 3.883 1.622 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -10.678 6.195 2.726 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -11.019 5.195 1.328 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -10.823 3.437 3.596 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -11.830 4.788 4.078 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -13.684 3.581 4.163 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -14.527 2.991 2.727 1.00 0.00 H new ATOM 918 N ASP A 54 -8.537 6.270 0.552 1.00 0.00 N ATOM 919 CA ASP A 54 -7.764 7.327 -0.077 1.00 0.00 C ATOM 920 C ASP A 54 -7.660 8.516 0.881 1.00 0.00 C ATOM 921 O ASP A 54 -6.560 8.960 1.208 1.00 0.00 O ATOM 922 CB ASP A 54 -8.438 7.813 -1.362 1.00 0.00 C ATOM 923 CG ASP A 54 -9.032 6.708 -2.238 1.00 0.00 C ATOM 924 OD1 ASP A 54 -9.857 5.904 -1.780 1.00 0.00 O ATOM 925 OD2 ASP A 54 -8.608 6.692 -3.456 1.00 0.00 O ATOM 0 H ASP A 54 -9.295 5.898 -0.020 1.00 0.00 H new ATOM 0 HA ASP A 54 -6.778 6.927 -0.316 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -9.232 8.512 -1.097 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -7.708 8.369 -1.950 1.00 0.00 H new ATOM 931 N GLN A 55 -8.820 8.998 1.303 1.00 0.00 N ATOM 932 CA GLN A 55 -8.873 10.126 2.217 1.00 0.00 C ATOM 933 C GLN A 55 -7.876 9.931 3.361 1.00 0.00 C ATOM 934 O GLN A 55 -6.959 10.733 3.534 1.00 0.00 O ATOM 935 CB GLN A 55 -10.291 10.330 2.755 1.00 0.00 C ATOM 936 CG GLN A 55 -10.578 11.814 2.995 1.00 0.00 C ATOM 937 CD GLN A 55 -12.038 12.031 3.398 1.00 0.00 C ATOM 938 OE1 GLN A 55 -12.450 11.751 4.512 1.00 0.00 O ATOM 939 NE2 GLN A 55 -12.794 12.546 2.433 1.00 0.00 N ATOM 0 H GLN A 55 -9.730 8.628 1.029 1.00 0.00 H new ATOM 0 HA GLN A 55 -8.595 11.026 1.668 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -11.014 9.926 2.047 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -10.414 9.777 3.686 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -9.921 12.193 3.777 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -10.358 12.382 2.091 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -12.385 12.757 1.523 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -13.783 12.730 2.603 1.00 0.00 H new ATOM 948 N GLU A 56 -8.087 8.860 4.112 1.00 0.00 N ATOM 949 CA GLU A 56 -7.219 8.549 5.234 1.00 0.00 C ATOM 950 C GLU A 56 -5.776 8.374 4.755 1.00 0.00 C ATOM 951 O GLU A 56 -4.858 8.984 5.303 1.00 0.00 O ATOM 952 CB GLU A 56 -7.705 7.302 5.975 1.00 0.00 C ATOM 953 CG GLU A 56 -9.069 7.547 6.624 1.00 0.00 C ATOM 954 CD GLU A 56 -8.919 8.297 7.949 1.00 0.00 C ATOM 955 OE1 GLU A 56 -8.097 9.220 8.049 1.00 0.00 O ATOM 956 OE2 GLU A 56 -9.694 7.890 8.897 1.00 0.00 O ATOM 0 H GLU A 56 -8.847 8.196 3.965 1.00 0.00 H new ATOM 0 HA GLU A 56 -7.251 9.383 5.935 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -7.774 6.465 5.280 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -6.980 7.023 6.739 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -9.700 8.122 5.946 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -9.570 6.594 6.796 1.00 0.00 H new ATOM 964 N LEU A 57 -5.620 7.538 3.739 1.00 0.00 N ATOM 965 CA LEU A 57 -4.304 7.276 3.181 1.00 0.00 C ATOM 966 C LEU A 57 -3.591 8.604 2.922 1.00 0.00 C ATOM 967 O LEU A 57 -2.542 8.873 3.506 1.00 0.00 O ATOM 968 CB LEU A 57 -4.416 6.386 1.942 1.00 0.00 C ATOM 969 CG LEU A 57 -3.096 6.001 1.271 1.00 0.00 C ATOM 970 CD1 LEU A 57 -2.236 5.146 2.205 1.00 0.00 C ATOM 971 CD2 LEU A 57 -3.344 5.311 -0.072 1.00 0.00 C ATOM 0 H LEU A 57 -6.383 7.033 3.288 1.00 0.00 H new ATOM 0 HA LEU A 57 -3.693 6.719 3.891 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -4.939 5.471 2.222 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -5.039 6.897 1.207 1.00 0.00 H new ATOM 0 HG LEU A 57 -2.538 6.914 1.065 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -1.303 4.886 1.704 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -2.016 5.708 3.113 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -2.775 4.235 2.464 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -2.389 5.048 -0.528 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -3.932 4.407 0.087 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -3.888 5.986 -0.733 1.00 0.00 H new ATOM 983 N LEU A 58 -4.188 9.399 2.047 1.00 0.00 N ATOM 984 CA LEU A 58 -3.622 10.693 1.704 1.00 0.00 C ATOM 985 C LEU A 58 -3.242 11.435 2.987 1.00 0.00 C ATOM 986 O LEU A 58 -2.076 11.770 3.192 1.00 0.00 O ATOM 987 CB LEU A 58 -4.580 11.475 0.803 1.00 0.00 C ATOM 988 CG LEU A 58 -3.928 12.349 -0.271 1.00 0.00 C ATOM 989 CD1 LEU A 58 -3.263 11.490 -1.348 1.00 0.00 C ATOM 990 CD2 LEU A 58 -4.938 13.332 -0.865 1.00 0.00 C ATOM 0 H LEU A 58 -5.058 9.173 1.565 1.00 0.00 H new ATOM 0 HA LEU A 58 -2.707 10.567 1.125 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -5.245 10.765 0.311 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -5.202 12.111 1.433 1.00 0.00 H new ATOM 0 HG LEU A 58 -3.142 12.940 0.200 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -2.808 12.136 -2.099 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -2.495 10.865 -0.892 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -4.012 10.856 -1.822 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -4.449 13.941 -1.625 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -5.761 12.779 -1.317 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -5.324 13.978 -0.076 1.00 0.00 H new ATOM 1002 N ALA A 59 -4.247 11.670 3.817 1.00 0.00 N ATOM 1003 CA ALA A 59 -4.033 12.366 5.074 1.00 0.00 C ATOM 1004 C ALA A 59 -2.859 11.722 5.815 1.00 0.00 C ATOM 1005 O ALA A 59 -1.958 12.418 6.282 1.00 0.00 O ATOM 1006 CB ALA A 59 -5.323 12.345 5.896 1.00 0.00 C ATOM 0 H ALA A 59 -5.213 11.391 3.643 1.00 0.00 H new ATOM 0 HA ALA A 59 -3.778 13.410 4.895 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -5.162 12.867 6.839 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -6.118 12.840 5.338 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -5.609 11.313 6.097 1.00 0.00 H new ATOM 1012 N LEU A 60 -2.907 10.401 5.899 1.00 0.00 N ATOM 1013 CA LEU A 60 -1.858 9.656 6.575 1.00 0.00 C ATOM 1014 C LEU A 60 -0.496 10.106 6.045 1.00 0.00 C ATOM 1015 O LEU A 60 0.319 10.644 6.794 1.00 0.00 O ATOM 1016 CB LEU A 60 -2.102 8.151 6.445 1.00 0.00 C ATOM 1017 CG LEU A 60 -2.676 7.455 7.681 1.00 0.00 C ATOM 1018 CD1 LEU A 60 -3.141 6.037 7.345 1.00 0.00 C ATOM 1019 CD2 LEU A 60 -1.672 7.471 8.835 1.00 0.00 C ATOM 0 H LEU A 60 -3.655 9.827 5.510 1.00 0.00 H new ATOM 0 HA LEU A 60 -1.869 9.867 7.644 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -2.782 7.984 5.610 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -1.158 7.671 6.188 1.00 0.00 H new ATOM 0 HG LEU A 60 -3.553 8.012 8.010 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -3.545 5.565 8.241 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -3.914 6.080 6.578 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -2.296 5.455 6.977 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -2.105 6.970 9.701 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -0.762 6.952 8.533 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -1.432 8.502 9.095 1.00 0.00 H new ATOM 1031 N ILE A 61 -0.290 9.870 4.758 1.00 0.00 N ATOM 1032 CA ILE A 61 0.960 10.245 4.119 1.00 0.00 C ATOM 1033 C ILE A 61 1.281 11.704 4.451 1.00 0.00 C ATOM 1034 O ILE A 61 2.402 12.023 4.842 1.00 0.00 O ATOM 1035 CB ILE A 61 0.903 9.954 2.618 1.00 0.00 C ATOM 1036 CG1 ILE A 61 0.813 8.450 2.354 1.00 0.00 C ATOM 1037 CG2 ILE A 61 2.088 10.594 1.890 1.00 0.00 C ATOM 1038 CD1 ILE A 61 0.103 8.168 1.028 1.00 0.00 C ATOM 0 H ILE A 61 -0.968 9.424 4.140 1.00 0.00 H new ATOM 0 HA ILE A 61 1.781 9.642 4.506 1.00 0.00 H new ATOM 0 HB ILE A 61 -0.004 10.406 2.217 1.00 0.00 H new ATOM 0 HG12 ILE A 61 1.814 8.020 2.333 1.00 0.00 H new ATOM 0 HG13 ILE A 61 0.275 7.966 3.169 1.00 0.00 H new ATOM 0 HG21 ILE A 61 2.024 10.372 0.825 1.00 0.00 H new ATOM 0 HG22 ILE A 61 2.066 11.674 2.038 1.00 0.00 H new ATOM 0 HG23 ILE A 61 3.020 10.193 2.289 1.00 0.00 H new ATOM 0 HD11 ILE A 61 0.052 7.092 0.864 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -0.906 8.578 1.061 1.00 0.00 H new ATOM 0 HD13 ILE A 61 0.657 8.633 0.213 1.00 0.00 H new ATOM 1050 N ASN A 62 0.275 12.550 4.283 1.00 0.00 N ATOM 1051 CA ASN A 62 0.435 13.967 4.560 1.00 0.00 C ATOM 1052 C ASN A 62 0.859 14.152 6.019 1.00 0.00 C ATOM 1053 O ASN A 62 1.649 15.042 6.332 1.00 0.00 O ATOM 1054 CB ASN A 62 -0.879 14.722 4.350 1.00 0.00 C ATOM 1055 CG ASN A 62 -1.530 14.329 3.023 1.00 0.00 C ATOM 1056 OD1 ASN A 62 -2.718 14.065 2.939 1.00 0.00 O ATOM 1057 ND2 ASN A 62 -0.689 14.305 1.993 1.00 0.00 N ATOM 0 H ASN A 62 -0.654 12.281 3.958 1.00 0.00 H new ATOM 0 HA ASN A 62 1.189 14.361 3.879 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -1.562 14.507 5.172 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -0.692 15.796 4.364 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -1.027 14.055 1.064 1.00 0.00 H new ATOM 0 HD22 ASN A 62 0.294 14.537 2.132 1.00 0.00 H new ATOM 1064 N GLY A 63 0.314 13.298 6.873 1.00 0.00 N ATOM 1065 CA GLY A 63 0.626 13.357 8.291 1.00 0.00 C ATOM 1066 C GLY A 63 -0.617 13.710 9.111 1.00 0.00 C ATOM 1067 O GLY A 63 -0.506 14.249 10.211 1.00 0.00 O ATOM 0 H GLY A 63 -0.341 12.562 6.610 1.00 0.00 H new ATOM 0 HA2 GLY A 63 1.023 12.397 8.620 1.00 0.00 H new ATOM 0 HA3 GLY A 63 1.404 14.100 8.465 1.00 0.00 H new ATOM 1071 N HIS A 64 -1.771 13.392 8.544 1.00 0.00 N ATOM 1072 CA HIS A 64 -3.033 13.669 9.209 1.00 0.00 C ATOM 1073 C HIS A 64 -3.379 12.516 10.154 1.00 0.00 C ATOM 1074 O HIS A 64 -3.206 12.630 11.366 1.00 0.00 O ATOM 1075 CB HIS A 64 -4.136 13.948 8.186 1.00 0.00 C ATOM 1076 CG HIS A 64 -4.753 15.321 8.308 1.00 0.00 C ATOM 1077 ND1 HIS A 64 -4.894 16.178 7.231 1.00 0.00 N ATOM 1078 CD2 HIS A 64 -5.265 15.975 9.390 1.00 0.00 C ATOM 1079 CE1 HIS A 64 -5.466 17.295 7.657 1.00 0.00 C ATOM 1080 NE2 HIS A 64 -5.694 17.167 8.996 1.00 0.00 N ATOM 0 H HIS A 64 -1.859 12.945 7.631 1.00 0.00 H new ATOM 0 HA HIS A 64 -2.940 14.572 9.812 1.00 0.00 H new ATOM 0 HB2 HIS A 64 -3.725 13.833 7.183 1.00 0.00 H new ATOM 0 HB3 HIS A 64 -4.919 13.198 8.297 1.00 0.00 H new ATOM 0 HD2 HIS A 64 -5.313 15.588 10.397 1.00 0.00 H new ATOM 0 HE1 HIS A 64 -5.709 18.155 7.051 1.00 0.00 H new ATOM 0 HE2 HIS A 64 -6.124 17.872 9.595 1.00 0.00 H new ATOM 1088 N SER A 65 -3.862 11.433 9.562 1.00 0.00 N ATOM 1089 CA SER A 65 -4.233 10.261 10.336 1.00 0.00 C ATOM 1090 C SER A 65 -2.979 9.567 10.870 1.00 0.00 C ATOM 1091 O SER A 65 -1.882 9.778 10.356 1.00 0.00 O ATOM 1092 CB SER A 65 -5.062 9.287 9.497 1.00 0.00 C ATOM 1093 OG SER A 65 -5.042 9.624 8.112 1.00 0.00 O ATOM 0 H SER A 65 -4.005 11.343 8.556 1.00 0.00 H new ATOM 0 HA SER A 65 -4.845 10.587 11.177 1.00 0.00 H new ATOM 0 HB2 SER A 65 -4.677 8.276 9.630 1.00 0.00 H new ATOM 0 HB3 SER A 65 -6.092 9.286 9.855 1.00 0.00 H new ATOM 0 HG SER A 65 -5.953 9.584 7.752 1.00 0.00 H new ATOM 1099 N GLU A 66 -3.183 8.752 11.895 1.00 0.00 N ATOM 1100 CA GLU A 66 -2.082 8.026 12.505 1.00 0.00 C ATOM 1101 C GLU A 66 -2.229 6.525 12.246 1.00 0.00 C ATOM 1102 O GLU A 66 -3.267 6.073 11.765 1.00 0.00 O ATOM 1103 CB GLU A 66 -1.995 8.318 14.004 1.00 0.00 C ATOM 1104 CG GLU A 66 -1.281 9.646 14.263 1.00 0.00 C ATOM 1105 CD GLU A 66 -1.885 10.367 15.470 1.00 0.00 C ATOM 1106 OE1 GLU A 66 -1.389 10.214 16.596 1.00 0.00 O ATOM 1107 OE2 GLU A 66 -2.906 11.110 15.206 1.00 0.00 O ATOM 0 H GLU A 66 -4.095 8.579 12.318 1.00 0.00 H new ATOM 0 HA GLU A 66 -1.152 8.365 12.049 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -2.998 8.351 14.431 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -1.462 7.510 14.505 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -0.220 9.465 14.436 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -1.356 10.281 13.380 1.00 0.00 H new ATOM 1115 N THR A 67 -1.175 5.794 12.577 1.00 0.00 N ATOM 1116 CA THR A 67 -1.173 4.353 12.387 1.00 0.00 C ATOM 1117 C THR A 67 -1.092 3.637 13.737 1.00 0.00 C ATOM 1118 O THR A 67 -0.166 3.871 14.513 1.00 0.00 O ATOM 1119 CB THR A 67 -0.022 4.002 11.443 1.00 0.00 C ATOM 1120 OG1 THR A 67 -0.259 2.640 11.098 1.00 0.00 O ATOM 1121 CG2 THR A 67 1.332 3.976 12.155 1.00 0.00 C ATOM 0 H THR A 67 -0.316 6.173 12.976 1.00 0.00 H new ATOM 0 HA THR A 67 -2.102 4.013 11.930 1.00 0.00 H new ATOM 0 HB THR A 67 0.011 4.724 10.627 1.00 0.00 H new ATOM 0 HG1 THR A 67 -1.151 2.375 11.404 1.00 0.00 H new ATOM 0 HG21 THR A 67 2.114 3.722 11.440 1.00 0.00 H new ATOM 0 HG22 THR A 67 1.537 4.957 12.583 1.00 0.00 H new ATOM 0 HG23 THR A 67 1.311 3.230 12.950 1.00 0.00 H new ATOM 1129 N ASP A 68 -2.073 2.780 13.976 1.00 0.00 N ATOM 1130 CA ASP A 68 -2.124 2.029 15.219 1.00 0.00 C ATOM 1131 C ASP A 68 -1.358 0.716 15.047 1.00 0.00 C ATOM 1132 O ASP A 68 -1.755 -0.314 15.591 1.00 0.00 O ATOM 1133 CB ASP A 68 -3.567 1.688 15.598 1.00 0.00 C ATOM 1134 CG ASP A 68 -4.188 2.597 16.660 1.00 0.00 C ATOM 1135 OD1 ASP A 68 -5.083 3.404 16.366 1.00 0.00 O ATOM 1136 OD2 ASP A 68 -3.711 2.451 17.849 1.00 0.00 O ATOM 0 H ASP A 68 -2.839 2.589 13.330 1.00 0.00 H new ATOM 0 HA ASP A 68 -1.681 2.643 16.003 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -4.183 1.731 14.700 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -3.599 0.660 15.958 1.00 0.00 H new ATOM 1142 N LYS A 69 -0.274 0.795 14.289 1.00 0.00 N ATOM 1143 CA LYS A 69 0.551 -0.375 14.040 1.00 0.00 C ATOM 1144 C LYS A 69 1.943 0.075 13.592 1.00 0.00 C ATOM 1145 O LYS A 69 2.075 0.853 12.648 1.00 0.00 O ATOM 1146 CB LYS A 69 -0.139 -1.316 13.050 1.00 0.00 C ATOM 1147 CG LYS A 69 0.302 -2.764 13.272 1.00 0.00 C ATOM 1148 CD LYS A 69 -0.224 -3.300 14.605 1.00 0.00 C ATOM 1149 CE LYS A 69 -1.058 -4.565 14.396 1.00 0.00 C ATOM 1150 NZ LYS A 69 -0.668 -5.610 15.370 1.00 0.00 N ATOM 0 H LYS A 69 0.052 1.651 13.839 1.00 0.00 H new ATOM 0 HA LYS A 69 0.681 -0.952 14.956 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -1.220 -1.240 13.164 1.00 0.00 H new ATOM 0 HB3 LYS A 69 0.096 -1.013 12.030 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -0.063 -3.388 12.456 1.00 0.00 H new ATOM 0 HG3 LYS A 69 1.390 -2.823 13.257 1.00 0.00 H new ATOM 0 HD2 LYS A 69 0.612 -3.517 15.269 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -0.830 -2.537 15.094 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -2.117 -4.332 14.508 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -0.919 -4.936 13.381 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -1.244 -6.462 15.214 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 0.338 -5.844 15.244 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -0.823 -5.259 16.337 1.00 0.00 H new ATOM 1163 N GLY A 70 2.948 -0.434 14.290 1.00 0.00 N ATOM 1164 CA GLY A 70 4.325 -0.095 13.976 1.00 0.00 C ATOM 1165 C GLY A 70 4.815 -0.868 12.750 1.00 0.00 C ATOM 1166 O GLY A 70 5.913 -0.621 12.254 1.00 0.00 O ATOM 0 H GLY A 70 2.835 -1.079 15.072 1.00 0.00 H new ATOM 0 HA2 GLY A 70 4.406 0.976 13.791 1.00 0.00 H new ATOM 0 HA3 GLY A 70 4.963 -0.320 14.831 1.00 0.00 H new ATOM 1170 N HIS A 71 3.976 -1.788 12.297 1.00 0.00 N ATOM 1171 CA HIS A 71 4.310 -2.598 11.138 1.00 0.00 C ATOM 1172 C HIS A 71 3.985 -1.824 9.859 1.00 0.00 C ATOM 1173 O HIS A 71 4.241 -2.304 8.756 1.00 0.00 O ATOM 1174 CB HIS A 71 3.606 -3.956 11.203 1.00 0.00 C ATOM 1175 CG HIS A 71 4.008 -4.799 12.390 1.00 0.00 C ATOM 1176 ND1 HIS A 71 5.317 -4.904 12.826 1.00 0.00 N ATOM 1177 CD2 HIS A 71 3.260 -5.573 13.227 1.00 0.00 C ATOM 1178 CE1 HIS A 71 5.344 -5.709 13.878 1.00 0.00 C ATOM 1179 NE2 HIS A 71 4.068 -6.123 14.125 1.00 0.00 N ATOM 0 H HIS A 71 3.066 -1.990 12.711 1.00 0.00 H new ATOM 0 HA HIS A 71 5.380 -2.807 11.133 1.00 0.00 H new ATOM 0 HB2 HIS A 71 2.528 -3.794 11.233 1.00 0.00 H new ATOM 0 HB3 HIS A 71 3.820 -4.509 10.288 1.00 0.00 H new ATOM 0 HD2 HIS A 71 2.191 -5.715 13.169 1.00 0.00 H new ATOM 0 HE1 HIS A 71 6.222 -5.988 14.441 1.00 0.00 H new ATOM 0 HE2 HIS A 71 3.782 -6.751 14.876 1.00 0.00 H new ATOM 1187 N LEU A 72 3.426 -0.638 10.050 1.00 0.00 N ATOM 1188 CA LEU A 72 3.064 0.208 8.925 1.00 0.00 C ATOM 1189 C LEU A 72 4.081 1.344 8.798 1.00 0.00 C ATOM 1190 O LEU A 72 4.384 1.790 7.693 1.00 0.00 O ATOM 1191 CB LEU A 72 1.618 0.690 9.061 1.00 0.00 C ATOM 1192 CG LEU A 72 0.585 -0.380 9.420 1.00 0.00 C ATOM 1193 CD1 LEU A 72 -0.714 0.256 9.917 1.00 0.00 C ATOM 1194 CD2 LEU A 72 0.346 -1.328 8.243 1.00 0.00 C ATOM 0 H LEU A 72 3.215 -0.243 10.966 1.00 0.00 H new ATOM 0 HA LEU A 72 3.101 -0.359 7.995 1.00 0.00 H new ATOM 0 HB2 LEU A 72 1.586 1.468 9.823 1.00 0.00 H new ATOM 0 HB3 LEU A 72 1.320 1.153 8.120 1.00 0.00 H new ATOM 0 HG LEU A 72 0.984 -0.978 10.239 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -1.431 -0.527 10.165 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -0.510 0.855 10.804 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -1.129 0.894 9.136 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -0.392 -2.079 8.525 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -0.021 -0.761 7.388 1.00 0.00 H new ATOM 0 HD23 LEU A 72 1.281 -1.821 7.977 1.00 0.00 H new ATOM 1206 N ILE A 73 4.581 1.779 9.946 1.00 0.00 N ATOM 1207 CA ILE A 73 5.558 2.854 9.977 1.00 0.00 C ATOM 1208 C ILE A 73 6.569 2.652 8.846 1.00 0.00 C ATOM 1209 O ILE A 73 6.854 3.579 8.091 1.00 0.00 O ATOM 1210 CB ILE A 73 6.198 2.956 11.363 1.00 0.00 C ATOM 1211 CG1 ILE A 73 5.386 3.878 12.275 1.00 0.00 C ATOM 1212 CG2 ILE A 73 7.660 3.394 11.261 1.00 0.00 C ATOM 1213 CD1 ILE A 73 6.237 4.386 13.440 1.00 0.00 C ATOM 0 H ILE A 73 4.328 1.406 10.861 1.00 0.00 H new ATOM 0 HA ILE A 73 5.073 3.815 9.803 1.00 0.00 H new ATOM 0 HB ILE A 73 6.190 1.965 11.817 1.00 0.00 H new ATOM 0 HG12 ILE A 73 5.009 4.724 11.700 1.00 0.00 H new ATOM 0 HG13 ILE A 73 4.519 3.342 12.660 1.00 0.00 H new ATOM 0 HG21 ILE A 73 8.091 3.459 12.260 1.00 0.00 H new ATOM 0 HG22 ILE A 73 8.218 2.666 10.672 1.00 0.00 H new ATOM 0 HG23 ILE A 73 7.715 4.370 10.779 1.00 0.00 H new ATOM 0 HD11 ILE A 73 5.635 5.039 14.072 1.00 0.00 H new ATOM 0 HD12 ILE A 73 6.593 3.539 14.027 1.00 0.00 H new ATOM 0 HD13 ILE A 73 7.090 4.942 13.052 1.00 0.00 H new ATOM 1225 N PRO A 74 7.096 1.401 8.764 1.00 0.00 N ATOM 1226 CA PRO A 74 8.069 1.065 7.738 1.00 0.00 C ATOM 1227 C PRO A 74 7.395 0.908 6.374 1.00 0.00 C ATOM 1228 O PRO A 74 7.951 1.311 5.353 1.00 0.00 O ATOM 1229 CB PRO A 74 8.728 -0.215 8.226 1.00 0.00 C ATOM 1230 CG PRO A 74 7.786 -0.799 9.266 1.00 0.00 C ATOM 1231 CD PRO A 74 6.781 0.277 9.642 1.00 0.00 C ATOM 0 HA PRO A 74 8.812 1.849 7.590 1.00 0.00 H new ATOM 0 HB2 PRO A 74 8.882 -0.913 7.403 1.00 0.00 H new ATOM 0 HB3 PRO A 74 9.708 -0.010 8.658 1.00 0.00 H new ATOM 0 HG2 PRO A 74 7.275 -1.676 8.869 1.00 0.00 H new ATOM 0 HG3 PRO A 74 8.343 -1.125 10.145 1.00 0.00 H new ATOM 0 HD2 PRO A 74 5.758 -0.067 9.493 1.00 0.00 H new ATOM 0 HD3 PRO A 74 6.874 0.556 10.692 1.00 0.00 H new ATOM 1239 N MET A 75 6.207 0.322 6.400 1.00 0.00 N ATOM 1240 CA MET A 75 5.452 0.107 5.177 1.00 0.00 C ATOM 1241 C MET A 75 4.976 1.436 4.586 1.00 0.00 C ATOM 1242 O MET A 75 4.665 1.515 3.399 1.00 0.00 O ATOM 1243 CB MET A 75 4.243 -0.782 5.474 1.00 0.00 C ATOM 1244 CG MET A 75 4.674 -2.086 6.149 1.00 0.00 C ATOM 1245 SD MET A 75 5.382 -3.193 4.942 1.00 0.00 S ATOM 1246 CE MET A 75 6.893 -3.640 5.780 1.00 0.00 C ATOM 0 H MET A 75 5.749 -0.011 7.248 1.00 0.00 H new ATOM 0 HA MET A 75 6.103 -0.380 4.451 1.00 0.00 H new ATOM 0 HB2 MET A 75 3.544 -0.248 6.118 1.00 0.00 H new ATOM 0 HB3 MET A 75 3.715 -1.005 4.547 1.00 0.00 H new ATOM 0 HG2 MET A 75 5.402 -1.876 6.933 1.00 0.00 H new ATOM 0 HG3 MET A 75 3.816 -2.558 6.628 1.00 0.00 H new ATOM 0 HE1 MET A 75 7.462 -4.333 5.160 1.00 0.00 H new ATOM 0 HE2 MET A 75 7.487 -2.744 5.962 1.00 0.00 H new ATOM 0 HE3 MET A 75 6.654 -4.116 6.731 1.00 0.00 H new ATOM 1256 N LEU A 76 4.933 2.446 5.442 1.00 0.00 N ATOM 1257 CA LEU A 76 4.500 3.767 5.020 1.00 0.00 C ATOM 1258 C LEU A 76 5.628 4.442 4.236 1.00 0.00 C ATOM 1259 O LEU A 76 5.397 4.997 3.163 1.00 0.00 O ATOM 1260 CB LEU A 76 4.013 4.581 6.220 1.00 0.00 C ATOM 1261 CG LEU A 76 2.501 4.591 6.455 1.00 0.00 C ATOM 1262 CD1 LEU A 76 2.144 5.418 7.691 1.00 0.00 C ATOM 1263 CD2 LEU A 76 1.756 5.071 5.209 1.00 0.00 C ATOM 0 H LEU A 76 5.191 2.376 6.426 1.00 0.00 H new ATOM 0 HA LEU A 76 3.645 3.691 4.348 1.00 0.00 H new ATOM 0 HB2 LEU A 76 4.497 4.194 7.117 1.00 0.00 H new ATOM 0 HB3 LEU A 76 4.348 5.611 6.095 1.00 0.00 H new ATOM 0 HG LEU A 76 2.178 3.568 6.648 1.00 0.00 H new ATOM 0 HD11 LEU A 76 1.064 5.409 7.835 1.00 0.00 H new ATOM 0 HD12 LEU A 76 2.631 4.991 8.568 1.00 0.00 H new ATOM 0 HD13 LEU A 76 2.483 6.445 7.552 1.00 0.00 H new ATOM 0 HD21 LEU A 76 0.683 5.069 5.403 1.00 0.00 H new ATOM 0 HD22 LEU A 76 2.077 6.082 4.960 1.00 0.00 H new ATOM 0 HD23 LEU A 76 1.975 4.405 4.375 1.00 0.00 H new ATOM 1275 N GLU A 77 6.823 4.373 4.803 1.00 0.00 N ATOM 1276 CA GLU A 77 7.987 4.971 4.171 1.00 0.00 C ATOM 1277 C GLU A 77 8.119 4.478 2.728 1.00 0.00 C ATOM 1278 O GLU A 77 8.294 5.277 1.809 1.00 0.00 O ATOM 1279 CB GLU A 77 9.258 4.675 4.970 1.00 0.00 C ATOM 1280 CG GLU A 77 9.718 5.911 5.746 1.00 0.00 C ATOM 1281 CD GLU A 77 10.560 6.831 4.861 1.00 0.00 C ATOM 1282 OE1 GLU A 77 10.387 6.840 3.633 1.00 0.00 O ATOM 1283 OE2 GLU A 77 11.420 7.557 5.492 1.00 0.00 O ATOM 0 H GLU A 77 7.011 3.912 5.693 1.00 0.00 H new ATOM 0 HA GLU A 77 7.852 6.052 4.154 1.00 0.00 H new ATOM 0 HB2 GLU A 77 9.073 3.854 5.663 1.00 0.00 H new ATOM 0 HB3 GLU A 77 10.049 4.350 4.294 1.00 0.00 H new ATOM 0 HG2 GLU A 77 8.850 6.454 6.120 1.00 0.00 H new ATOM 0 HG3 GLU A 77 10.300 5.604 6.615 1.00 0.00 H new ATOM 1291 N LYS A 78 8.031 3.165 2.575 1.00 0.00 N ATOM 1292 CA LYS A 78 8.138 2.557 1.260 1.00 0.00 C ATOM 1293 C LYS A 78 6.938 2.977 0.409 1.00 0.00 C ATOM 1294 O LYS A 78 7.105 3.573 -0.654 1.00 0.00 O ATOM 1295 CB LYS A 78 8.304 1.041 1.383 1.00 0.00 C ATOM 1296 CG LYS A 78 7.320 0.462 2.403 1.00 0.00 C ATOM 1297 CD LYS A 78 6.390 -0.561 1.748 1.00 0.00 C ATOM 1298 CE LYS A 78 7.024 -1.954 1.745 1.00 0.00 C ATOM 1299 NZ LYS A 78 6.228 -2.883 0.911 1.00 0.00 N ATOM 0 H LYS A 78 7.887 2.506 3.340 1.00 0.00 H new ATOM 0 HA LYS A 78 9.032 2.912 0.748 1.00 0.00 H new ATOM 0 HB2 LYS A 78 8.143 0.574 0.411 1.00 0.00 H new ATOM 0 HB3 LYS A 78 9.325 0.807 1.684 1.00 0.00 H new ATOM 0 HG2 LYS A 78 7.870 -0.010 3.217 1.00 0.00 H new ATOM 0 HG3 LYS A 78 6.730 1.267 2.842 1.00 0.00 H new ATOM 0 HD2 LYS A 78 5.441 -0.590 2.283 1.00 0.00 H new ATOM 0 HD3 LYS A 78 6.170 -0.255 0.725 1.00 0.00 H new ATOM 0 HE2 LYS A 78 8.043 -1.895 1.363 1.00 0.00 H new ATOM 0 HE3 LYS A 78 7.087 -2.334 2.765 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 6.671 -3.824 0.919 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 5.263 -2.952 1.292 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 6.190 -2.527 -0.065 1.00 0.00 H new ATOM 1312 N ILE A 79 5.756 2.649 0.907 1.00 0.00 N ATOM 1313 CA ILE A 79 4.528 2.985 0.206 1.00 0.00 C ATOM 1314 C ILE A 79 4.479 4.495 -0.032 1.00 0.00 C ATOM 1315 O ILE A 79 4.579 4.951 -1.170 1.00 0.00 O ATOM 1316 CB ILE A 79 3.314 2.442 0.961 1.00 0.00 C ATOM 1317 CG1 ILE A 79 3.351 0.914 1.034 1.00 0.00 C ATOM 1318 CG2 ILE A 79 2.010 2.954 0.344 1.00 0.00 C ATOM 1319 CD1 ILE A 79 2.618 0.406 2.277 1.00 0.00 C ATOM 0 H ILE A 79 5.622 2.154 1.788 1.00 0.00 H new ATOM 0 HA ILE A 79 4.505 2.506 -0.773 1.00 0.00 H new ATOM 0 HB ILE A 79 3.355 2.815 1.985 1.00 0.00 H new ATOM 0 HG12 ILE A 79 2.892 0.493 0.139 1.00 0.00 H new ATOM 0 HG13 ILE A 79 4.386 0.572 1.053 1.00 0.00 H new ATOM 0 HG21 ILE A 79 1.162 2.553 0.900 1.00 0.00 H new ATOM 0 HG22 ILE A 79 1.990 4.043 0.387 1.00 0.00 H new ATOM 0 HG23 ILE A 79 1.948 2.631 -0.695 1.00 0.00 H new ATOM 0 HD11 ILE A 79 2.659 -0.683 2.304 1.00 0.00 H new ATOM 0 HD12 ILE A 79 3.094 0.810 3.171 1.00 0.00 H new ATOM 0 HD13 ILE A 79 1.577 0.729 2.243 1.00 0.00 H new ATOM 1331 N ARG A 80 4.326 5.230 1.060 1.00 0.00 N ATOM 1332 CA ARG A 80 4.263 6.679 0.984 1.00 0.00 C ATOM 1333 C ARG A 80 5.241 7.199 -0.072 1.00 0.00 C ATOM 1334 O ARG A 80 4.995 8.230 -0.697 1.00 0.00 O ATOM 1335 CB ARG A 80 4.595 7.317 2.334 1.00 0.00 C ATOM 1336 CG ARG A 80 6.108 7.389 2.549 1.00 0.00 C ATOM 1337 CD ARG A 80 6.672 8.717 2.039 1.00 0.00 C ATOM 1338 NE ARG A 80 7.579 9.303 3.050 1.00 0.00 N ATOM 1339 CZ ARG A 80 8.327 10.409 2.846 1.00 0.00 C ATOM 1340 NH1 ARG A 80 8.281 11.058 1.663 1.00 0.00 N ATOM 1341 NH2 ARG A 80 9.103 10.845 3.820 1.00 0.00 N ATOM 0 H ARG A 80 4.244 4.848 2.002 1.00 0.00 H new ATOM 0 HA ARG A 80 3.245 6.952 0.707 1.00 0.00 H new ATOM 0 HB2 ARG A 80 4.169 8.319 2.381 1.00 0.00 H new ATOM 0 HB3 ARG A 80 4.137 6.738 3.136 1.00 0.00 H new ATOM 0 HG2 ARG A 80 6.334 7.277 3.609 1.00 0.00 H new ATOM 0 HG3 ARG A 80 6.592 6.561 2.031 1.00 0.00 H new ATOM 0 HD2 ARG A 80 7.210 8.558 1.104 1.00 0.00 H new ATOM 0 HD3 ARG A 80 5.858 9.409 1.824 1.00 0.00 H new ATOM 0 HE ARG A 80 7.644 8.843 3.958 1.00 0.00 H new ATOM 0 HH11 ARG A 80 7.678 10.714 0.916 1.00 0.00 H new ATOM 0 HH12 ARG A 80 8.849 11.893 1.517 1.00 0.00 H new ATOM 0 HH21 ARG A 80 9.132 10.348 4.710 1.00 0.00 H new ATOM 0 HH22 ARG A 80 9.674 11.679 3.682 1.00 0.00 H new ATOM 1354 N ARG A 81 6.329 6.462 -0.238 1.00 0.00 N ATOM 1355 CA ARG A 81 7.345 6.835 -1.207 1.00 0.00 C ATOM 1356 C ARG A 81 6.725 6.977 -2.599 1.00 0.00 C ATOM 1357 O ARG A 81 6.768 8.051 -3.196 1.00 0.00 O ATOM 1358 CB ARG A 81 8.465 5.795 -1.259 1.00 0.00 C ATOM 1359 CG ARG A 81 9.826 6.464 -1.465 1.00 0.00 C ATOM 1360 CD ARG A 81 10.620 5.765 -2.570 1.00 0.00 C ATOM 1361 NE ARG A 81 12.070 5.976 -2.363 1.00 0.00 N ATOM 1362 CZ ARG A 81 13.032 5.196 -2.899 1.00 0.00 C ATOM 1363 NH1 ARG A 81 12.706 4.144 -3.680 1.00 0.00 N ATOM 1364 NH2 ARG A 81 14.297 5.476 -2.648 1.00 0.00 N ATOM 0 H ARG A 81 6.529 5.608 0.282 1.00 0.00 H new ATOM 0 HA ARG A 81 7.766 7.790 -0.894 1.00 0.00 H new ATOM 0 HB2 ARG A 81 8.475 5.220 -0.333 1.00 0.00 H new ATOM 0 HB3 ARG A 81 8.275 5.091 -2.070 1.00 0.00 H new ATOM 0 HG2 ARG A 81 9.684 7.513 -1.723 1.00 0.00 H new ATOM 0 HG3 ARG A 81 10.392 6.439 -0.534 1.00 0.00 H new ATOM 0 HD2 ARG A 81 10.396 4.698 -2.571 1.00 0.00 H new ATOM 0 HD3 ARG A 81 10.323 6.154 -3.544 1.00 0.00 H new ATOM 0 HE ARG A 81 12.360 6.760 -1.779 1.00 0.00 H new ATOM 0 HH11 ARG A 81 11.726 3.933 -3.869 1.00 0.00 H new ATOM 0 HH12 ARG A 81 13.440 3.560 -4.081 1.00 0.00 H new ATOM 0 HH21 ARG A 81 14.535 6.272 -2.057 1.00 0.00 H new ATOM 0 HH22 ARG A 81 15.036 4.896 -3.045 1.00 0.00 H new ATOM 1377 N ALA A 82 6.161 5.876 -3.075 1.00 0.00 N ATOM 1378 CA ALA A 82 5.533 5.864 -4.385 1.00 0.00 C ATOM 1379 C ALA A 82 4.436 6.930 -4.430 1.00 0.00 C ATOM 1380 O ALA A 82 4.136 7.473 -5.492 1.00 0.00 O ATOM 1381 CB ALA A 82 4.996 4.462 -4.681 1.00 0.00 C ATOM 0 H ALA A 82 6.126 4.987 -2.577 1.00 0.00 H new ATOM 0 HA ALA A 82 6.259 6.106 -5.161 1.00 0.00 H new ATOM 0 HB1 ALA A 82 4.525 4.453 -5.664 1.00 0.00 H new ATOM 0 HB2 ALA A 82 5.818 3.747 -4.666 1.00 0.00 H new ATOM 0 HB3 ALA A 82 4.262 4.186 -3.924 1.00 0.00 H new TER 1387 ALA A 82