USER MOD reduce.3.24.130724 H: found=0, std=0, add=532, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 534 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 4 MET CE :methyl -150:sc= -0.598 (180deg=-3!) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ -175:sc= 0.0897 (180deg=0.0826) USER MOD Single : A 20 SER OG : rot 41:sc= 0.319 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 25 THR OG1 : rot 47:sc= -1.23 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot -150:sc= -0.15 USER MOD Single : A 34 THR OG1 : rot -46:sc= 0.842 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 40 GLN :FLIP amide:sc= 0 F(o=-0.53,f=0) USER MOD Single : A 42 MET CE :methyl -129:sc= -0.405 (180deg=-6.34!) USER MOD Single : A 43 MET CE :methyl 176:sc= -0.966 (180deg=-1) USER MOD Single : A 48 THR OG1 : rot -28:sc= 0.0836 USER MOD Single : A 57 ASN : amide:sc= -0.605 X(o=-0.6,f=-0.16) USER MOD Single : A 61 SER OG : rot 180:sc= -0.631 USER MOD Single : A 63 CYS SG : rot 157:sc= 0.603 USER MOD Single : A 64 ASN : amide:sc= -0.0993 X(o=-0.099,f=0) USER MOD Single : A 66 ASN : amide:sc= -0.116 X(o=-0.12,f=-0.084) USER MOD Single : A 70 MET CE :methyl 165:sc= 0 (180deg=-0.172) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 23 N ASP A 3 3.288 -4.534 -4.667 1.00 0.00 N ATOM 24 CA ASP A 3 4.069 -4.704 -5.887 1.00 0.00 C ATOM 25 C ASP A 3 3.180 -4.582 -7.122 1.00 0.00 C ATOM 26 O ASP A 3 3.423 -3.747 -7.993 1.00 0.00 O ATOM 27 CB ASP A 3 4.773 -6.061 -5.883 1.00 0.00 C ATOM 28 CG ASP A 3 5.766 -6.195 -4.745 1.00 0.00 C ATOM 29 OD1 ASP A 3 5.960 -5.205 -4.008 1.00 0.00 O ATOM 30 OD2 ASP A 3 6.350 -7.288 -4.591 1.00 0.00 O ATOM 0 HA ASP A 3 4.820 -3.915 -5.921 1.00 0.00 H new ATOM 0 HB2 ASP A 3 4.028 -6.853 -5.807 1.00 0.00 H new ATOM 0 HB3 ASP A 3 5.291 -6.201 -6.832 1.00 0.00 H new ATOM 35 N MET A 4 2.152 -5.420 -7.189 1.00 0.00 N ATOM 36 CA MET A 4 1.227 -5.406 -8.317 1.00 0.00 C ATOM 37 C MET A 4 0.698 -3.998 -8.568 1.00 0.00 C ATOM 38 O MET A 4 0.372 -3.641 -9.700 1.00 0.00 O ATOM 39 CB MET A 4 0.062 -6.363 -8.061 1.00 0.00 C ATOM 40 CG MET A 4 0.495 -7.722 -7.535 1.00 0.00 C ATOM 41 SD MET A 4 1.814 -8.459 -8.519 1.00 0.00 S ATOM 42 CE MET A 4 1.126 -8.316 -10.167 1.00 0.00 C ATOM 0 H MET A 4 1.938 -6.117 -6.476 1.00 0.00 H new ATOM 0 HA MET A 4 1.769 -5.735 -9.204 1.00 0.00 H new ATOM 0 HB2 MET A 4 -0.622 -5.907 -7.345 1.00 0.00 H new ATOM 0 HB3 MET A 4 -0.494 -6.502 -8.988 1.00 0.00 H new ATOM 0 HG2 MET A 4 0.831 -7.618 -6.503 1.00 0.00 H new ATOM 0 HG3 MET A 4 -0.364 -8.393 -7.524 1.00 0.00 H new ATOM 0 HE1 MET A 4 1.495 -9.133 -10.787 1.00 0.00 H new ATOM 0 HE2 MET A 4 0.038 -8.364 -10.113 1.00 0.00 H new ATOM 0 HE3 MET A 4 1.425 -7.364 -10.605 1.00 0.00 H new ATOM 52 N GLU A 5 0.616 -3.203 -7.506 1.00 0.00 N ATOM 53 CA GLU A 5 0.125 -1.834 -7.613 1.00 0.00 C ATOM 54 C GLU A 5 1.011 -1.009 -8.542 1.00 0.00 C ATOM 55 O GLU A 5 0.521 -0.341 -9.453 1.00 0.00 O ATOM 56 CB GLU A 5 0.068 -1.179 -6.231 1.00 0.00 C ATOM 57 CG GLU A 5 -0.839 0.038 -6.171 1.00 0.00 C ATOM 58 CD GLU A 5 -1.455 0.240 -4.801 1.00 0.00 C ATOM 59 OE1 GLU A 5 -2.519 -0.358 -4.534 1.00 0.00 O ATOM 60 OE2 GLU A 5 -0.873 0.996 -3.995 1.00 0.00 O ATOM 0 H GLU A 5 0.883 -3.483 -6.562 1.00 0.00 H new ATOM 0 HA GLU A 5 -0.880 -1.868 -8.033 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -0.276 -1.914 -5.504 1.00 0.00 H new ATOM 0 HB3 GLU A 5 1.075 -0.886 -5.935 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -0.268 0.926 -6.443 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -1.633 -0.069 -6.910 1.00 0.00 H new ATOM 67 N ARG A 6 2.318 -1.062 -8.305 1.00 0.00 N ATOM 68 CA ARG A 6 3.273 -0.319 -9.118 1.00 0.00 C ATOM 69 C ARG A 6 3.053 -0.595 -10.603 1.00 0.00 C ATOM 70 O ARG A 6 2.761 0.317 -11.377 1.00 0.00 O ATOM 71 CB ARG A 6 4.704 -0.688 -8.727 1.00 0.00 C ATOM 72 CG ARG A 6 5.242 0.118 -7.555 1.00 0.00 C ATOM 73 CD ARG A 6 4.369 -0.043 -6.321 1.00 0.00 C ATOM 74 NE ARG A 6 4.879 0.723 -5.187 1.00 0.00 N ATOM 75 CZ ARG A 6 4.144 1.045 -4.128 1.00 0.00 C ATOM 76 NH1 ARG A 6 2.875 0.668 -4.058 1.00 0.00 N ATOM 77 NH2 ARG A 6 4.679 1.745 -3.135 1.00 0.00 N ATOM 0 H ARG A 6 2.739 -1.612 -7.556 1.00 0.00 H new ATOM 0 HA ARG A 6 3.117 0.744 -8.936 1.00 0.00 H new ATOM 0 HB2 ARG A 6 4.741 -1.748 -8.476 1.00 0.00 H new ATOM 0 HB3 ARG A 6 5.356 -0.541 -9.588 1.00 0.00 H new ATOM 0 HG2 ARG A 6 6.258 -0.203 -7.327 1.00 0.00 H new ATOM 0 HG3 ARG A 6 5.294 1.171 -7.830 1.00 0.00 H new ATOM 0 HD2 ARG A 6 3.354 0.281 -6.550 1.00 0.00 H new ATOM 0 HD3 ARG A 6 4.314 -1.098 -6.051 1.00 0.00 H new ATOM 0 HE ARG A 6 5.852 1.027 -5.209 1.00 0.00 H new ATOM 0 HH11 ARG A 6 2.460 0.129 -4.818 1.00 0.00 H new ATOM 0 HH12 ARG A 6 2.313 0.917 -3.244 1.00 0.00 H new ATOM 0 HH21 ARG A 6 5.655 2.036 -3.185 1.00 0.00 H new ATOM 0 HH22 ARG A 6 4.114 1.992 -2.323 1.00 0.00 H new ATOM 91 N ILE A 7 3.195 -1.858 -10.992 1.00 0.00 N ATOM 92 CA ILE A 7 3.011 -2.254 -12.382 1.00 0.00 C ATOM 93 C ILE A 7 1.679 -1.750 -12.926 1.00 0.00 C ATOM 94 O ILE A 7 1.618 -1.169 -14.010 1.00 0.00 O ATOM 95 CB ILE A 7 3.074 -3.784 -12.545 1.00 0.00 C ATOM 96 CG1 ILE A 7 4.324 -4.341 -11.861 1.00 0.00 C ATOM 97 CG2 ILE A 7 3.057 -4.161 -14.019 1.00 0.00 C ATOM 98 CD1 ILE A 7 4.043 -4.991 -10.525 1.00 0.00 C ATOM 0 H ILE A 7 3.437 -2.624 -10.364 1.00 0.00 H new ATOM 0 HA ILE A 7 3.826 -1.803 -12.949 1.00 0.00 H new ATOM 0 HB ILE A 7 2.197 -4.222 -12.068 1.00 0.00 H new ATOM 0 HG12 ILE A 7 4.794 -5.072 -12.520 1.00 0.00 H new ATOM 0 HG13 ILE A 7 5.041 -3.533 -11.719 1.00 0.00 H new ATOM 0 HG21 ILE A 7 3.102 -5.246 -14.118 1.00 0.00 H new ATOM 0 HG22 ILE A 7 2.140 -3.793 -14.478 1.00 0.00 H new ATOM 0 HG23 ILE A 7 3.917 -3.715 -14.519 1.00 0.00 H new ATOM 0 HD11 ILE A 7 4.974 -5.363 -10.098 1.00 0.00 H new ATOM 0 HD12 ILE A 7 3.601 -4.258 -9.850 1.00 0.00 H new ATOM 0 HD13 ILE A 7 3.350 -5.821 -10.663 1.00 0.00 H new ATOM 110 N PHE A 8 0.613 -1.974 -12.165 1.00 0.00 N ATOM 111 CA PHE A 8 -0.720 -1.542 -12.570 1.00 0.00 C ATOM 112 C PHE A 8 -0.724 -0.061 -12.937 1.00 0.00 C ATOM 113 O PHE A 8 -1.365 0.350 -13.904 1.00 0.00 O ATOM 114 CB PHE A 8 -1.727 -1.803 -11.447 1.00 0.00 C ATOM 115 CG PHE A 8 -3.100 -1.269 -11.738 1.00 0.00 C ATOM 116 CD1 PHE A 8 -3.991 -1.995 -12.512 1.00 0.00 C ATOM 117 CD2 PHE A 8 -3.501 -0.041 -11.236 1.00 0.00 C ATOM 118 CE1 PHE A 8 -5.256 -1.507 -12.781 1.00 0.00 C ATOM 119 CE2 PHE A 8 -4.764 0.452 -11.501 1.00 0.00 C ATOM 120 CZ PHE A 8 -5.642 -0.281 -12.276 1.00 0.00 C ATOM 0 H PHE A 8 0.646 -2.452 -11.265 1.00 0.00 H new ATOM 0 HA PHE A 8 -1.009 -2.117 -13.450 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -1.793 -2.877 -11.271 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -1.358 -1.351 -10.526 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -3.693 -2.954 -12.910 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -2.818 0.537 -10.631 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -5.941 -2.083 -13.385 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -5.065 1.410 -11.103 1.00 0.00 H new ATOM 0 HZ PHE A 8 -6.629 0.104 -12.487 1.00 0.00 H new ATOM 130 N LYS A 9 -0.003 0.738 -12.156 1.00 0.00 N ATOM 131 CA LYS A 9 0.079 2.173 -12.397 1.00 0.00 C ATOM 132 C LYS A 9 1.094 2.484 -13.493 1.00 0.00 C ATOM 133 O LYS A 9 1.059 3.555 -14.099 1.00 0.00 O ATOM 134 CB LYS A 9 0.462 2.906 -11.110 1.00 0.00 C ATOM 135 CG LYS A 9 -0.660 2.967 -10.088 1.00 0.00 C ATOM 136 CD LYS A 9 -0.228 3.701 -8.829 1.00 0.00 C ATOM 137 CE LYS A 9 -0.970 3.189 -7.604 1.00 0.00 C ATOM 138 NZ LYS A 9 -2.011 4.149 -7.144 1.00 0.00 N ATOM 0 H LYS A 9 0.533 0.415 -11.351 1.00 0.00 H new ATOM 0 HA LYS A 9 -0.901 2.517 -12.726 1.00 0.00 H new ATOM 0 HB2 LYS A 9 1.323 2.411 -10.662 1.00 0.00 H new ATOM 0 HB3 LYS A 9 0.772 3.921 -11.358 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -1.524 3.468 -10.524 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -0.975 1.956 -9.831 1.00 0.00 H new ATOM 0 HD2 LYS A 9 0.845 3.577 -8.684 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -0.412 4.769 -8.948 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -1.436 2.231 -7.836 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -0.259 3.010 -6.797 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -2.494 3.763 -6.308 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -1.563 5.055 -6.898 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -2.704 4.300 -7.905 1.00 0.00 H new ATOM 152 N ARG A 10 1.995 1.540 -13.743 1.00 0.00 N ATOM 153 CA ARG A 10 3.019 1.713 -14.766 1.00 0.00 C ATOM 154 C ARG A 10 2.391 2.075 -16.109 1.00 0.00 C ATOM 155 O ARG A 10 2.731 3.093 -16.711 1.00 0.00 O ATOM 156 CB ARG A 10 3.851 0.437 -14.907 1.00 0.00 C ATOM 157 CG ARG A 10 5.276 0.687 -15.371 1.00 0.00 C ATOM 158 CD ARG A 10 5.581 -0.057 -16.662 1.00 0.00 C ATOM 159 NE ARG A 10 6.472 0.703 -17.534 1.00 0.00 N ATOM 160 CZ ARG A 10 7.774 0.841 -17.314 1.00 0.00 C ATOM 161 NH1 ARG A 10 8.335 0.274 -16.255 1.00 0.00 N ATOM 162 NH2 ARG A 10 8.519 1.548 -18.154 1.00 0.00 N ATOM 0 H ARG A 10 2.037 0.647 -13.251 1.00 0.00 H new ATOM 0 HA ARG A 10 3.670 2.531 -14.457 1.00 0.00 H new ATOM 0 HB2 ARG A 10 3.876 -0.078 -13.947 1.00 0.00 H new ATOM 0 HB3 ARG A 10 3.359 -0.231 -15.615 1.00 0.00 H new ATOM 0 HG2 ARG A 10 5.429 1.756 -15.521 1.00 0.00 H new ATOM 0 HG3 ARG A 10 5.973 0.371 -14.595 1.00 0.00 H new ATOM 0 HD2 ARG A 10 6.037 -1.019 -16.427 1.00 0.00 H new ATOM 0 HD3 ARG A 10 4.650 -0.266 -17.189 1.00 0.00 H new ATOM 0 HE ARG A 10 6.072 1.153 -18.358 1.00 0.00 H new ATOM 0 HH11 ARG A 10 7.766 -0.270 -15.606 1.00 0.00 H new ATOM 0 HH12 ARG A 10 9.336 0.382 -16.089 1.00 0.00 H new ATOM 0 HH21 ARG A 10 8.092 1.986 -18.970 1.00 0.00 H new ATOM 0 HH22 ARG A 10 9.519 1.653 -17.984 1.00 0.00 H new ATOM 176 N PHE A 11 1.472 1.233 -16.572 1.00 0.00 N ATOM 177 CA PHE A 11 0.797 1.463 -17.844 1.00 0.00 C ATOM 178 C PHE A 11 -0.232 2.582 -17.719 1.00 0.00 C ATOM 179 O PHE A 11 -0.601 3.214 -18.709 1.00 0.00 O ATOM 180 CB PHE A 11 0.116 0.179 -18.323 1.00 0.00 C ATOM 181 CG PHE A 11 1.039 -1.004 -18.380 1.00 0.00 C ATOM 182 CD1 PHE A 11 2.395 -0.831 -18.613 1.00 0.00 C ATOM 183 CD2 PHE A 11 0.553 -2.288 -18.201 1.00 0.00 C ATOM 184 CE1 PHE A 11 3.246 -1.918 -18.666 1.00 0.00 C ATOM 185 CE2 PHE A 11 1.400 -3.380 -18.254 1.00 0.00 C ATOM 186 CZ PHE A 11 2.748 -3.194 -18.486 1.00 0.00 C ATOM 0 H PHE A 11 1.178 0.386 -16.085 1.00 0.00 H new ATOM 0 HA PHE A 11 1.547 1.763 -18.576 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -0.716 -0.051 -17.658 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -0.306 0.349 -19.314 1.00 0.00 H new ATOM 0 HD1 PHE A 11 2.790 0.164 -18.755 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -0.501 -2.439 -18.018 1.00 0.00 H new ATOM 0 HE1 PHE A 11 4.300 -1.770 -18.848 1.00 0.00 H new ATOM 0 HE2 PHE A 11 1.008 -4.376 -18.114 1.00 0.00 H new ATOM 0 HZ PHE A 11 3.412 -4.045 -18.527 1.00 0.00 H new ATOM 196 N ASP A 12 -0.692 2.821 -16.496 1.00 0.00 N ATOM 197 CA ASP A 12 -1.678 3.864 -16.240 1.00 0.00 C ATOM 198 C ASP A 12 -1.029 5.244 -16.264 1.00 0.00 C ATOM 199 O ASP A 12 -0.954 5.926 -15.242 1.00 0.00 O ATOM 200 CB ASP A 12 -2.359 3.632 -14.890 1.00 0.00 C ATOM 201 CG ASP A 12 -3.752 4.229 -14.834 1.00 0.00 C ATOM 202 OD1 ASP A 12 -3.864 5.472 -14.850 1.00 0.00 O ATOM 203 OD2 ASP A 12 -4.728 3.453 -14.772 1.00 0.00 O ATOM 0 H ASP A 12 -0.398 2.306 -15.666 1.00 0.00 H new ATOM 0 HA ASP A 12 -2.428 3.821 -17.030 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -2.418 2.561 -14.695 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -1.748 4.067 -14.099 1.00 0.00 H new ATOM 262 N LYS A 18 -8.041 2.342 -15.348 1.00 0.00 N ATOM 263 CA LYS A 18 -7.795 1.056 -15.990 1.00 0.00 C ATOM 264 C LYS A 18 -6.566 1.124 -16.891 1.00 0.00 C ATOM 265 O LYS A 18 -6.069 2.209 -17.197 1.00 0.00 O ATOM 266 CB LYS A 18 -9.016 0.628 -16.807 1.00 0.00 C ATOM 267 CG LYS A 18 -10.227 0.286 -15.956 1.00 0.00 C ATOM 268 CD LYS A 18 -11.342 -0.320 -16.792 1.00 0.00 C ATOM 269 CE LYS A 18 -12.659 0.409 -16.577 1.00 0.00 C ATOM 270 NZ LYS A 18 -13.799 -0.538 -16.427 1.00 0.00 N ATOM 0 HA LYS A 18 -7.611 0.318 -15.209 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -9.281 1.430 -17.496 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -8.752 -0.239 -17.413 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -9.937 -0.414 -15.173 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -10.591 1.186 -15.460 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -11.070 -0.279 -17.847 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -11.461 -1.372 -16.534 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -12.587 1.034 -15.687 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -12.848 1.074 -17.420 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -14.689 -0.003 -16.367 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -13.832 -1.175 -17.249 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -13.673 -1.098 -15.560 1.00 0.00 H new ATOM 284 N ILE A 19 -6.082 -0.039 -17.313 1.00 0.00 N ATOM 285 CA ILE A 19 -4.913 -0.110 -18.181 1.00 0.00 C ATOM 286 C ILE A 19 -5.162 -1.040 -19.363 1.00 0.00 C ATOM 287 O ILE A 19 -5.745 -2.113 -19.210 1.00 0.00 O ATOM 288 CB ILE A 19 -3.670 -0.596 -17.412 1.00 0.00 C ATOM 289 CG1 ILE A 19 -3.948 -1.949 -16.754 1.00 0.00 C ATOM 290 CG2 ILE A 19 -3.257 0.432 -16.370 1.00 0.00 C ATOM 291 CD1 ILE A 19 -2.737 -2.549 -16.074 1.00 0.00 C ATOM 0 H ILE A 19 -6.481 -0.945 -17.068 1.00 0.00 H new ATOM 0 HA ILE A 19 -4.731 0.900 -18.549 1.00 0.00 H new ATOM 0 HB ILE A 19 -2.848 -0.719 -18.118 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -4.745 -1.830 -16.020 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -4.312 -2.644 -17.511 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -2.377 0.074 -15.835 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -3.023 1.376 -16.863 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -4.074 0.584 -15.665 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -3.007 -3.507 -15.629 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -1.945 -2.700 -16.808 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -2.385 -1.873 -15.294 1.00 0.00 H new ATOM 303 N SER A 20 -4.715 -0.622 -20.543 1.00 0.00 N ATOM 304 CA SER A 20 -4.890 -1.417 -21.753 1.00 0.00 C ATOM 305 C SER A 20 -4.225 -2.781 -21.607 1.00 0.00 C ATOM 306 O SER A 20 -3.017 -2.875 -21.383 1.00 0.00 O ATOM 307 CB SER A 20 -4.310 -0.679 -22.961 1.00 0.00 C ATOM 308 OG SER A 20 -5.020 -1.003 -24.145 1.00 0.00 O ATOM 0 H SER A 20 -4.229 0.263 -20.687 1.00 0.00 H new ATOM 0 HA SER A 20 -5.958 -1.569 -21.908 1.00 0.00 H new ATOM 0 HB2 SER A 20 -4.354 0.397 -22.790 1.00 0.00 H new ATOM 0 HB3 SER A 20 -3.259 -0.940 -23.081 1.00 0.00 H new ATOM 0 HG SER A 20 -5.980 -1.035 -23.952 1.00 0.00 H new ATOM 314 N LEU A 21 -5.020 -3.837 -21.737 1.00 0.00 N ATOM 315 CA LEU A 21 -4.509 -5.199 -21.621 1.00 0.00 C ATOM 316 C LEU A 21 -3.908 -5.670 -22.941 1.00 0.00 C ATOM 317 O LEU A 21 -3.161 -6.647 -22.981 1.00 0.00 O ATOM 318 CB LEU A 21 -5.627 -6.149 -21.189 1.00 0.00 C ATOM 319 CG LEU A 21 -7.000 -5.898 -21.813 1.00 0.00 C ATOM 320 CD1 LEU A 21 -6.936 -6.054 -23.324 1.00 0.00 C ATOM 321 CD2 LEU A 21 -8.037 -6.842 -21.221 1.00 0.00 C ATOM 0 H LEU A 21 -6.021 -3.777 -21.923 1.00 0.00 H new ATOM 0 HA LEU A 21 -3.724 -5.203 -20.864 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -5.323 -7.168 -21.427 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -5.727 -6.091 -20.105 1.00 0.00 H new ATOM 0 HG LEU A 21 -7.299 -4.875 -21.586 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -7.922 -5.872 -23.751 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -6.225 -5.337 -23.734 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -6.615 -7.066 -23.572 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -9.008 -6.648 -21.677 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -7.744 -7.873 -21.416 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -8.103 -6.681 -20.145 1.00 0.00 H new ATOM 333 N SER A 22 -4.238 -4.967 -24.020 1.00 0.00 N ATOM 334 CA SER A 22 -3.733 -5.314 -25.343 1.00 0.00 C ATOM 335 C SER A 22 -2.325 -4.762 -25.548 1.00 0.00 C ATOM 336 O SER A 22 -1.438 -5.462 -26.035 1.00 0.00 O ATOM 337 CB SER A 22 -4.667 -4.774 -26.427 1.00 0.00 C ATOM 338 OG SER A 22 -5.819 -5.589 -26.560 1.00 0.00 O ATOM 0 H SER A 22 -4.853 -4.153 -24.004 1.00 0.00 H new ATOM 0 HA SER A 22 -3.694 -6.401 -25.416 1.00 0.00 H new ATOM 0 HB2 SER A 22 -4.965 -3.755 -26.180 1.00 0.00 H new ATOM 0 HB3 SER A 22 -4.137 -4.729 -27.379 1.00 0.00 H new ATOM 0 HG SER A 22 -6.401 -5.222 -27.258 1.00 0.00 H new ATOM 344 N GLU A 23 -2.130 -3.502 -25.174 1.00 0.00 N ATOM 345 CA GLU A 23 -0.831 -2.855 -25.318 1.00 0.00 C ATOM 346 C GLU A 23 0.194 -3.476 -24.372 1.00 0.00 C ATOM 347 O GLU A 23 1.397 -3.443 -24.633 1.00 0.00 O ATOM 348 CB GLU A 23 -0.950 -1.355 -25.044 1.00 0.00 C ATOM 349 CG GLU A 23 -1.936 -0.646 -25.957 1.00 0.00 C ATOM 350 CD GLU A 23 -1.380 -0.413 -27.348 1.00 0.00 C ATOM 351 OE1 GLU A 23 -0.277 0.162 -27.457 1.00 0.00 O ATOM 352 OE2 GLU A 23 -2.048 -0.805 -28.328 1.00 0.00 O ATOM 0 H GLU A 23 -2.854 -2.909 -24.769 1.00 0.00 H new ATOM 0 HA GLU A 23 -0.492 -3.004 -26.343 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -1.255 -1.207 -24.008 1.00 0.00 H new ATOM 0 HB3 GLU A 23 0.032 -0.895 -25.156 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -2.849 -1.238 -26.029 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -2.211 0.312 -25.515 1.00 0.00 H new ATOM 359 N LEU A 24 -0.292 -4.041 -23.272 1.00 0.00 N ATOM 360 CA LEU A 24 0.580 -4.669 -22.286 1.00 0.00 C ATOM 361 C LEU A 24 1.350 -5.833 -22.902 1.00 0.00 C ATOM 362 O LEU A 24 2.580 -5.819 -22.956 1.00 0.00 O ATOM 363 CB LEU A 24 -0.239 -5.161 -21.091 1.00 0.00 C ATOM 364 CG LEU A 24 0.435 -6.204 -20.199 1.00 0.00 C ATOM 365 CD1 LEU A 24 0.150 -7.608 -20.710 1.00 0.00 C ATOM 366 CD2 LEU A 24 1.934 -5.955 -20.126 1.00 0.00 C ATOM 0 H LEU A 24 -1.285 -4.077 -23.041 1.00 0.00 H new ATOM 0 HA LEU A 24 1.297 -3.923 -21.945 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -0.500 -4.300 -20.476 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -1.173 -5.581 -21.464 1.00 0.00 H new ATOM 0 HG LEU A 24 0.023 -6.115 -19.194 1.00 0.00 H new ATOM 0 HD11 LEU A 24 0.638 -8.337 -20.063 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -0.926 -7.784 -20.709 1.00 0.00 H new ATOM 0 HD13 LEU A 24 0.533 -7.711 -21.725 1.00 0.00 H new ATOM 0 HD21 LEU A 24 2.397 -6.707 -19.487 1.00 0.00 H new ATOM 0 HD22 LEU A 24 2.362 -6.016 -21.127 1.00 0.00 H new ATOM 0 HD23 LEU A 24 2.118 -4.964 -19.712 1.00 0.00 H new ATOM 378 N THR A 25 0.618 -6.839 -23.370 1.00 0.00 N ATOM 379 CA THR A 25 1.231 -8.010 -23.984 1.00 0.00 C ATOM 380 C THR A 25 2.175 -7.608 -25.111 1.00 0.00 C ATOM 381 O THR A 25 3.216 -8.234 -25.315 1.00 0.00 O ATOM 382 CB THR A 25 0.167 -8.975 -24.540 1.00 0.00 C ATOM 383 OG1 THR A 25 0.786 -9.953 -25.383 1.00 0.00 O ATOM 384 CG2 THR A 25 -0.892 -8.217 -25.328 1.00 0.00 C ATOM 0 H THR A 25 -0.401 -6.866 -23.335 1.00 0.00 H new ATOM 0 HA THR A 25 1.797 -8.517 -23.203 1.00 0.00 H new ATOM 0 HB THR A 25 -0.315 -9.473 -23.699 1.00 0.00 H new ATOM 0 HG1 THR A 25 1.580 -10.314 -24.936 1.00 0.00 H new ATOM 0 HG21 THR A 25 -1.633 -8.919 -25.711 1.00 0.00 H new ATOM 0 HG22 THR A 25 -1.381 -7.493 -24.677 1.00 0.00 H new ATOM 0 HG23 THR A 25 -0.421 -7.696 -26.162 1.00 0.00 H new ATOM 392 N ASP A 26 1.807 -6.561 -25.840 1.00 0.00 N ATOM 393 CA ASP A 26 2.623 -6.074 -26.947 1.00 0.00 C ATOM 394 C ASP A 26 3.789 -5.234 -26.434 1.00 0.00 C ATOM 395 O ASP A 26 4.781 -5.039 -27.134 1.00 0.00 O ATOM 396 CB ASP A 26 1.771 -5.250 -27.913 1.00 0.00 C ATOM 397 CG ASP A 26 2.325 -5.258 -29.324 1.00 0.00 C ATOM 398 OD1 ASP A 26 3.307 -4.531 -29.580 1.00 0.00 O ATOM 399 OD2 ASP A 26 1.775 -5.991 -30.174 1.00 0.00 O ATOM 0 H ASP A 26 0.949 -6.032 -25.685 1.00 0.00 H new ATOM 0 HA ASP A 26 3.026 -6.938 -27.476 1.00 0.00 H new ATOM 0 HB2 ASP A 26 0.754 -5.643 -27.923 1.00 0.00 H new ATOM 0 HB3 ASP A 26 1.712 -4.222 -27.555 1.00 0.00 H new ATOM 404 N ALA A 27 3.660 -4.739 -25.207 1.00 0.00 N ATOM 405 CA ALA A 27 4.703 -3.921 -24.601 1.00 0.00 C ATOM 406 C ALA A 27 5.738 -4.788 -23.892 1.00 0.00 C ATOM 407 O ALA A 27 6.924 -4.456 -23.860 1.00 0.00 O ATOM 408 CB ALA A 27 4.091 -2.924 -23.627 1.00 0.00 C ATOM 0 H ALA A 27 2.844 -4.890 -24.614 1.00 0.00 H new ATOM 0 HA ALA A 27 5.209 -3.373 -25.396 1.00 0.00 H new ATOM 0 HB1 ALA A 27 4.881 -2.319 -23.181 1.00 0.00 H new ATOM 0 HB2 ALA A 27 3.394 -2.276 -24.159 1.00 0.00 H new ATOM 0 HB3 ALA A 27 3.559 -3.462 -22.842 1.00 0.00 H new ATOM 414 N LEU A 28 5.283 -5.900 -23.325 1.00 0.00 N ATOM 415 CA LEU A 28 6.171 -6.815 -22.616 1.00 0.00 C ATOM 416 C LEU A 28 7.371 -7.188 -23.479 1.00 0.00 C ATOM 417 O LEU A 28 8.430 -7.550 -22.965 1.00 0.00 O ATOM 418 CB LEU A 28 5.411 -8.078 -22.206 1.00 0.00 C ATOM 419 CG LEU A 28 4.820 -8.077 -20.796 1.00 0.00 C ATOM 420 CD1 LEU A 28 3.936 -9.297 -20.587 1.00 0.00 C ATOM 421 CD2 LEU A 28 5.927 -8.034 -19.753 1.00 0.00 C ATOM 0 H LEU A 28 4.305 -6.190 -23.342 1.00 0.00 H new ATOM 0 HA LEU A 28 6.534 -6.309 -21.721 1.00 0.00 H new ATOM 0 HB2 LEU A 28 4.601 -8.238 -22.918 1.00 0.00 H new ATOM 0 HB3 LEU A 28 6.086 -8.929 -22.295 1.00 0.00 H new ATOM 0 HG LEU A 28 4.206 -7.184 -20.681 1.00 0.00 H new ATOM 0 HD11 LEU A 28 3.524 -9.279 -19.578 1.00 0.00 H new ATOM 0 HD12 LEU A 28 3.122 -9.285 -21.312 1.00 0.00 H new ATOM 0 HD13 LEU A 28 4.528 -10.202 -20.722 1.00 0.00 H new ATOM 0 HD21 LEU A 28 5.487 -8.034 -18.756 1.00 0.00 H new ATOM 0 HD22 LEU A 28 6.568 -8.908 -19.867 1.00 0.00 H new ATOM 0 HD23 LEU A 28 6.520 -7.129 -19.888 1.00 0.00 H new ATOM 433 N ARG A 29 7.200 -7.095 -24.794 1.00 0.00 N ATOM 434 CA ARG A 29 8.270 -7.422 -25.729 1.00 0.00 C ATOM 435 C ARG A 29 9.494 -6.546 -25.481 1.00 0.00 C ATOM 436 O ARG A 29 10.631 -6.982 -25.666 1.00 0.00 O ATOM 437 CB ARG A 29 7.787 -7.247 -27.170 1.00 0.00 C ATOM 438 CG ARG A 29 7.632 -5.794 -27.589 1.00 0.00 C ATOM 439 CD ARG A 29 6.963 -5.674 -28.949 1.00 0.00 C ATOM 440 NE ARG A 29 7.927 -5.405 -30.012 1.00 0.00 N ATOM 441 CZ ARG A 29 8.526 -4.231 -30.181 1.00 0.00 C ATOM 442 NH1 ARG A 29 8.261 -3.224 -29.361 1.00 0.00 N ATOM 443 NH2 ARG A 29 9.393 -4.064 -31.172 1.00 0.00 N ATOM 0 H ARG A 29 6.331 -6.796 -25.236 1.00 0.00 H new ATOM 0 HA ARG A 29 8.552 -8.463 -25.571 1.00 0.00 H new ATOM 0 HB2 ARG A 29 8.491 -7.737 -27.842 1.00 0.00 H new ATOM 0 HB3 ARG A 29 6.829 -7.754 -27.287 1.00 0.00 H new ATOM 0 HG2 ARG A 29 7.042 -5.260 -26.844 1.00 0.00 H new ATOM 0 HG3 ARG A 29 8.612 -5.317 -27.621 1.00 0.00 H new ATOM 0 HD2 ARG A 29 6.426 -6.596 -29.171 1.00 0.00 H new ATOM 0 HD3 ARG A 29 6.223 -4.874 -28.920 1.00 0.00 H new ATOM 0 HE ARG A 29 8.153 -6.159 -30.660 1.00 0.00 H new ATOM 0 HH11 ARG A 29 7.596 -3.349 -28.598 1.00 0.00 H new ATOM 0 HH12 ARG A 29 8.722 -2.324 -29.493 1.00 0.00 H new ATOM 0 HH21 ARG A 29 9.600 -4.837 -31.804 1.00 0.00 H new ATOM 0 HH22 ARG A 29 9.852 -3.163 -31.301 1.00 0.00 H new ATOM 457 N THR A 30 9.255 -5.307 -25.063 1.00 0.00 N ATOM 458 CA THR A 30 10.337 -4.369 -24.791 1.00 0.00 C ATOM 459 C THR A 30 10.950 -4.620 -23.419 1.00 0.00 C ATOM 460 O THR A 30 12.118 -4.306 -23.182 1.00 0.00 O ATOM 461 CB THR A 30 9.848 -2.910 -24.864 1.00 0.00 C ATOM 462 OG1 THR A 30 10.939 -2.043 -25.193 1.00 0.00 O ATOM 463 CG2 THR A 30 9.232 -2.480 -23.542 1.00 0.00 C ATOM 0 H THR A 30 8.321 -4.930 -24.905 1.00 0.00 H new ATOM 0 HA THR A 30 11.094 -4.529 -25.559 1.00 0.00 H new ATOM 0 HB THR A 30 9.086 -2.844 -25.641 1.00 0.00 H new ATOM 0 HG1 THR A 30 10.619 -1.118 -25.239 1.00 0.00 H new ATOM 0 HG21 THR A 30 8.894 -1.446 -23.617 1.00 0.00 H new ATOM 0 HG22 THR A 30 8.383 -3.123 -23.310 1.00 0.00 H new ATOM 0 HG23 THR A 30 9.977 -2.561 -22.750 1.00 0.00 H new ATOM 471 N LEU A 31 10.158 -5.187 -22.516 1.00 0.00 N ATOM 472 CA LEU A 31 10.623 -5.481 -21.165 1.00 0.00 C ATOM 473 C LEU A 31 11.556 -6.688 -21.162 1.00 0.00 C ATOM 474 O LEU A 31 12.150 -7.024 -20.138 1.00 0.00 O ATOM 475 CB LEU A 31 9.434 -5.738 -20.239 1.00 0.00 C ATOM 476 CG LEU A 31 8.967 -4.548 -19.400 1.00 0.00 C ATOM 477 CD1 LEU A 31 10.095 -4.043 -18.515 1.00 0.00 C ATOM 478 CD2 LEU A 31 8.450 -3.433 -20.298 1.00 0.00 C ATOM 0 H LEU A 31 9.190 -5.453 -22.695 1.00 0.00 H new ATOM 0 HA LEU A 31 11.177 -4.616 -20.801 1.00 0.00 H new ATOM 0 HB2 LEU A 31 8.595 -6.081 -20.844 1.00 0.00 H new ATOM 0 HB3 LEU A 31 9.695 -6.553 -19.564 1.00 0.00 H new ATOM 0 HG LEU A 31 8.150 -4.879 -18.758 1.00 0.00 H new ATOM 0 HD11 LEU A 31 9.744 -3.196 -17.926 1.00 0.00 H new ATOM 0 HD12 LEU A 31 10.418 -4.841 -17.847 1.00 0.00 H new ATOM 0 HD13 LEU A 31 10.933 -3.729 -19.137 1.00 0.00 H new ATOM 0 HD21 LEU A 31 8.122 -2.594 -19.684 1.00 0.00 H new ATOM 0 HD22 LEU A 31 9.247 -3.104 -20.965 1.00 0.00 H new ATOM 0 HD23 LEU A 31 7.611 -3.801 -20.888 1.00 0.00 H new ATOM 490 N GLY A 32 11.681 -7.337 -22.315 1.00 0.00 N ATOM 491 CA GLY A 32 12.545 -8.498 -22.424 1.00 0.00 C ATOM 492 C GLY A 32 11.810 -9.795 -22.144 1.00 0.00 C ATOM 493 O GLY A 32 12.430 -10.848 -22.000 1.00 0.00 O ATOM 0 H GLY A 32 11.199 -7.079 -23.176 1.00 0.00 H new ATOM 0 HA2 GLY A 32 12.974 -8.536 -23.425 1.00 0.00 H new ATOM 0 HA3 GLY A 32 13.375 -8.396 -21.725 1.00 0.00 H new ATOM 497 N SER A 33 10.486 -9.718 -22.066 1.00 0.00 N ATOM 498 CA SER A 33 9.666 -10.893 -21.796 1.00 0.00 C ATOM 499 C SER A 33 9.598 -11.800 -23.021 1.00 0.00 C ATOM 500 O SER A 33 9.333 -11.343 -24.134 1.00 0.00 O ATOM 501 CB SER A 33 8.256 -10.473 -21.379 1.00 0.00 C ATOM 502 OG SER A 33 7.964 -10.905 -20.061 1.00 0.00 O ATOM 0 H SER A 33 9.958 -8.854 -22.186 1.00 0.00 H new ATOM 0 HA SER A 33 10.128 -11.448 -20.979 1.00 0.00 H new ATOM 0 HB2 SER A 33 8.164 -9.389 -21.438 1.00 0.00 H new ATOM 0 HB3 SER A 33 7.528 -10.893 -22.073 1.00 0.00 H new ATOM 0 HG SER A 33 7.002 -11.070 -19.977 1.00 0.00 H new ATOM 508 N THR A 34 9.838 -13.091 -22.809 1.00 0.00 N ATOM 509 CA THR A 34 9.804 -14.063 -23.894 1.00 0.00 C ATOM 510 C THR A 34 8.490 -14.835 -23.901 1.00 0.00 C ATOM 511 O THR A 34 8.408 -15.935 -24.447 1.00 0.00 O ATOM 512 CB THR A 34 10.972 -15.061 -23.789 1.00 0.00 C ATOM 513 OG1 THR A 34 11.026 -15.878 -24.964 1.00 0.00 O ATOM 514 CG2 THR A 34 10.822 -15.943 -22.559 1.00 0.00 C ATOM 0 H THR A 34 10.058 -13.487 -21.895 1.00 0.00 H new ATOM 0 HA THR A 34 9.896 -13.502 -24.824 1.00 0.00 H new ATOM 0 HB THR A 34 11.898 -14.493 -23.699 1.00 0.00 H new ATOM 0 HG1 THR A 34 10.125 -16.197 -25.182 1.00 0.00 H new ATOM 0 HG21 THR A 34 11.659 -16.640 -22.507 1.00 0.00 H new ATOM 0 HG22 THR A 34 10.811 -15.321 -21.664 1.00 0.00 H new ATOM 0 HG23 THR A 34 9.888 -16.502 -22.624 1.00 0.00 H new ATOM 522 N SER A 35 7.463 -14.251 -23.292 1.00 0.00 N ATOM 523 CA SER A 35 6.152 -14.886 -23.225 1.00 0.00 C ATOM 524 C SER A 35 5.056 -13.915 -23.652 1.00 0.00 C ATOM 525 O SER A 35 3.883 -14.107 -23.334 1.00 0.00 O ATOM 526 CB SER A 35 5.878 -15.390 -21.807 1.00 0.00 C ATOM 527 OG SER A 35 6.654 -16.539 -21.515 1.00 0.00 O ATOM 0 H SER A 35 7.514 -13.339 -22.838 1.00 0.00 H new ATOM 0 HA SER A 35 6.150 -15.733 -23.911 1.00 0.00 H new ATOM 0 HB2 SER A 35 6.104 -14.603 -21.088 1.00 0.00 H new ATOM 0 HB3 SER A 35 4.819 -15.626 -21.700 1.00 0.00 H new ATOM 0 HG SER A 35 6.462 -16.840 -20.603 1.00 0.00 H new ATOM 533 N ALA A 36 5.447 -12.871 -24.376 1.00 0.00 N ATOM 534 CA ALA A 36 4.499 -11.871 -24.850 1.00 0.00 C ATOM 535 C ALA A 36 3.346 -12.522 -25.606 1.00 0.00 C ATOM 536 O ALA A 36 2.245 -11.974 -25.671 1.00 0.00 O ATOM 537 CB ALA A 36 5.204 -10.852 -25.733 1.00 0.00 C ATOM 0 H ALA A 36 6.415 -12.696 -24.647 1.00 0.00 H new ATOM 0 HA ALA A 36 4.085 -11.358 -23.982 1.00 0.00 H new ATOM 0 HB1 ALA A 36 4.484 -10.111 -26.080 1.00 0.00 H new ATOM 0 HB2 ALA A 36 5.988 -10.356 -25.161 1.00 0.00 H new ATOM 0 HB3 ALA A 36 5.646 -11.358 -26.591 1.00 0.00 H new ATOM 543 N ASP A 37 3.606 -13.693 -26.178 1.00 0.00 N ATOM 544 CA ASP A 37 2.589 -14.419 -26.930 1.00 0.00 C ATOM 545 C ASP A 37 1.689 -15.219 -25.994 1.00 0.00 C ATOM 546 O ASP A 37 0.510 -15.426 -26.279 1.00 0.00 O ATOM 547 CB ASP A 37 3.247 -15.352 -27.947 1.00 0.00 C ATOM 548 CG ASP A 37 4.498 -14.753 -28.558 1.00 0.00 C ATOM 549 OD1 ASP A 37 4.377 -14.030 -29.569 1.00 0.00 O ATOM 550 OD2 ASP A 37 5.599 -15.009 -28.026 1.00 0.00 O ATOM 0 H ASP A 37 4.512 -14.159 -26.135 1.00 0.00 H new ATOM 0 HA ASP A 37 1.975 -13.691 -27.460 1.00 0.00 H new ATOM 0 HB2 ASP A 37 3.499 -16.294 -27.461 1.00 0.00 H new ATOM 0 HB3 ASP A 37 2.534 -15.582 -28.739 1.00 0.00 H new ATOM 555 N GLU A 38 2.254 -15.667 -24.877 1.00 0.00 N ATOM 556 CA GLU A 38 1.502 -16.447 -23.901 1.00 0.00 C ATOM 557 C GLU A 38 0.701 -15.534 -22.976 1.00 0.00 C ATOM 558 O GLU A 38 -0.368 -15.906 -22.492 1.00 0.00 O ATOM 559 CB GLU A 38 2.448 -17.323 -23.077 1.00 0.00 C ATOM 560 CG GLU A 38 1.732 -18.356 -22.223 1.00 0.00 C ATOM 561 CD GLU A 38 2.596 -19.565 -21.924 1.00 0.00 C ATOM 562 OE1 GLU A 38 3.133 -20.162 -22.881 1.00 0.00 O ATOM 563 OE2 GLU A 38 2.736 -19.916 -20.733 1.00 0.00 O ATOM 0 H GLU A 38 3.229 -15.503 -24.626 1.00 0.00 H new ATOM 0 HA GLU A 38 0.806 -17.087 -24.444 1.00 0.00 H new ATOM 0 HB2 GLU A 38 3.135 -17.834 -23.751 1.00 0.00 H new ATOM 0 HB3 GLU A 38 3.051 -16.685 -22.431 1.00 0.00 H new ATOM 0 HG2 GLU A 38 1.422 -17.895 -21.285 1.00 0.00 H new ATOM 0 HG3 GLU A 38 0.825 -18.679 -22.734 1.00 0.00 H new ATOM 570 N VAL A 39 1.227 -14.337 -22.736 1.00 0.00 N ATOM 571 CA VAL A 39 0.562 -13.370 -21.870 1.00 0.00 C ATOM 572 C VAL A 39 -0.675 -12.788 -22.545 1.00 0.00 C ATOM 573 O VAL A 39 -1.665 -12.475 -21.884 1.00 0.00 O ATOM 574 CB VAL A 39 1.510 -12.221 -21.480 1.00 0.00 C ATOM 575 CG1 VAL A 39 1.879 -11.395 -22.703 1.00 0.00 C ATOM 576 CG2 VAL A 39 0.876 -11.348 -20.408 1.00 0.00 C ATOM 0 H VAL A 39 2.111 -14.014 -23.129 1.00 0.00 H new ATOM 0 HA VAL A 39 0.263 -13.905 -20.969 1.00 0.00 H new ATOM 0 HB VAL A 39 2.425 -12.650 -21.072 1.00 0.00 H new ATOM 0 HG11 VAL A 39 2.549 -10.588 -22.408 1.00 0.00 H new ATOM 0 HG12 VAL A 39 2.377 -12.031 -23.435 1.00 0.00 H new ATOM 0 HG13 VAL A 39 0.975 -10.974 -23.144 1.00 0.00 H new ATOM 0 HG21 VAL A 39 1.560 -10.541 -20.144 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -0.055 -10.926 -20.786 1.00 0.00 H new ATOM 0 HG23 VAL A 39 0.668 -11.951 -19.524 1.00 0.00 H new ATOM 586 N GLN A 40 -0.610 -12.645 -23.865 1.00 0.00 N ATOM 587 CA GLN A 40 -1.725 -12.099 -24.629 1.00 0.00 C ATOM 588 C GLN A 40 -2.989 -12.925 -24.413 1.00 0.00 C ATOM 589 O GLN A 40 -4.080 -12.377 -24.253 1.00 0.00 O ATOM 590 CB GLN A 40 -1.378 -12.058 -26.118 1.00 0.00 C ATOM 591 CG GLN A 40 -2.587 -12.205 -27.029 1.00 0.00 C ATOM 592 CD GLN A 40 -2.217 -12.169 -28.499 1.00 0.00 C ATOM 593 OE1 GLN A 40 -1.150 -12.873 -28.859 1.00 0.00 O flip ATOM 594 NE2 GLN A 40 -2.884 -11.517 -29.303 1.00 0.00 N flip ATOM 0 H GLN A 40 0.202 -12.899 -24.427 1.00 0.00 H new ATOM 0 HA GLN A 40 -1.911 -11.084 -24.278 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -0.879 -11.115 -26.340 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -0.668 -12.855 -26.339 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -3.092 -13.146 -26.808 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -3.297 -11.405 -26.817 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -3.697 -10.990 -28.983 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -2.624 -11.504 -30.289 1.00 0.00 H new ATOM 603 N ARG A 41 -2.835 -14.245 -24.409 1.00 0.00 N ATOM 604 CA ARG A 41 -3.964 -15.146 -24.214 1.00 0.00 C ATOM 605 C ARG A 41 -4.338 -15.236 -22.737 1.00 0.00 C ATOM 606 O ARG A 41 -5.457 -15.616 -22.392 1.00 0.00 O ATOM 607 CB ARG A 41 -3.632 -16.539 -24.753 1.00 0.00 C ATOM 608 CG ARG A 41 -2.356 -17.128 -24.173 1.00 0.00 C ATOM 609 CD ARG A 41 -2.050 -18.491 -24.773 1.00 0.00 C ATOM 610 NE ARG A 41 -2.926 -19.532 -24.242 1.00 0.00 N ATOM 611 CZ ARG A 41 -2.740 -20.119 -23.065 1.00 0.00 C ATOM 612 NH1 ARG A 41 -1.715 -19.770 -22.301 1.00 0.00 N ATOM 613 NH2 ARG A 41 -3.581 -21.058 -22.651 1.00 0.00 N ATOM 0 H ARG A 41 -1.939 -14.714 -24.539 1.00 0.00 H new ATOM 0 HA ARG A 41 -4.816 -14.745 -24.764 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -4.463 -17.210 -24.537 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -3.538 -16.487 -25.838 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -1.523 -16.451 -24.361 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -2.455 -17.219 -23.091 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -2.160 -18.443 -25.856 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -1.012 -18.752 -24.569 1.00 0.00 H new ATOM 0 HE ARG A 41 -3.724 -19.824 -24.806 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -1.066 -19.049 -22.616 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -1.575 -20.223 -21.398 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -4.371 -21.329 -23.237 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -3.438 -21.508 -21.747 1.00 0.00 H new ATOM 627 N MET A 42 -3.394 -14.886 -21.870 1.00 0.00 N ATOM 628 CA MET A 42 -3.625 -14.927 -20.431 1.00 0.00 C ATOM 629 C MET A 42 -4.422 -13.709 -19.973 1.00 0.00 C ATOM 630 O MET A 42 -5.431 -13.841 -19.281 1.00 0.00 O ATOM 631 CB MET A 42 -2.294 -14.991 -19.680 1.00 0.00 C ATOM 632 CG MET A 42 -1.547 -16.301 -19.877 1.00 0.00 C ATOM 633 SD MET A 42 -2.068 -17.578 -18.717 1.00 0.00 S ATOM 634 CE MET A 42 -1.013 -18.937 -19.213 1.00 0.00 C ATOM 0 H MET A 42 -2.462 -14.571 -22.139 1.00 0.00 H new ATOM 0 HA MET A 42 -4.203 -15.823 -20.207 1.00 0.00 H new ATOM 0 HB2 MET A 42 -1.660 -14.168 -20.010 1.00 0.00 H new ATOM 0 HB3 MET A 42 -2.479 -14.844 -18.616 1.00 0.00 H new ATOM 0 HG2 MET A 42 -1.704 -16.655 -20.896 1.00 0.00 H new ATOM 0 HG3 MET A 42 -0.477 -16.126 -19.762 1.00 0.00 H new ATOM 0 HE1 MET A 42 -1.619 -19.828 -19.373 1.00 0.00 H new ATOM 0 HE2 MET A 42 -0.497 -18.678 -20.137 1.00 0.00 H new ATOM 0 HE3 MET A 42 -0.280 -19.133 -18.431 1.00 0.00 H new ATOM 644 N MET A 43 -3.962 -12.526 -20.365 1.00 0.00 N ATOM 645 CA MET A 43 -4.634 -11.285 -19.995 1.00 0.00 C ATOM 646 C MET A 43 -6.100 -11.314 -20.415 1.00 0.00 C ATOM 647 O MET A 43 -6.935 -10.622 -19.834 1.00 0.00 O ATOM 648 CB MET A 43 -3.930 -10.088 -20.637 1.00 0.00 C ATOM 649 CG MET A 43 -3.716 -10.241 -22.134 1.00 0.00 C ATOM 650 SD MET A 43 -5.107 -9.624 -23.101 1.00 0.00 S ATOM 651 CE MET A 43 -4.309 -9.293 -24.670 1.00 0.00 C ATOM 0 H MET A 43 -3.128 -12.400 -20.938 1.00 0.00 H new ATOM 0 HA MET A 43 -4.588 -11.185 -18.911 1.00 0.00 H new ATOM 0 HB2 MET A 43 -4.518 -9.189 -20.452 1.00 0.00 H new ATOM 0 HB3 MET A 43 -2.964 -9.942 -20.153 1.00 0.00 H new ATOM 0 HG2 MET A 43 -2.811 -9.707 -22.424 1.00 0.00 H new ATOM 0 HG3 MET A 43 -3.554 -11.293 -22.368 1.00 0.00 H new ATOM 0 HE1 MET A 43 -5.055 -8.972 -25.397 1.00 0.00 H new ATOM 0 HE2 MET A 43 -3.566 -8.506 -24.541 1.00 0.00 H new ATOM 0 HE3 MET A 43 -3.820 -10.199 -25.028 1.00 0.00 H new ATOM 661 N ALA A 44 -6.404 -12.118 -21.428 1.00 0.00 N ATOM 662 CA ALA A 44 -7.769 -12.238 -21.925 1.00 0.00 C ATOM 663 C ALA A 44 -8.659 -12.958 -20.917 1.00 0.00 C ATOM 664 O ALA A 44 -9.882 -12.822 -20.947 1.00 0.00 O ATOM 665 CB ALA A 44 -7.784 -12.968 -23.259 1.00 0.00 C ATOM 0 H ALA A 44 -5.723 -12.696 -21.921 1.00 0.00 H new ATOM 0 HA ALA A 44 -8.165 -11.233 -22.069 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -8.810 -13.050 -23.617 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -7.189 -12.413 -23.984 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -7.363 -13.966 -23.133 1.00 0.00 H new ATOM 671 N GLU A 45 -8.037 -13.723 -20.026 1.00 0.00 N ATOM 672 CA GLU A 45 -8.774 -14.465 -19.010 1.00 0.00 C ATOM 673 C GLU A 45 -9.345 -13.522 -17.954 1.00 0.00 C ATOM 674 O GLU A 45 -10.510 -13.633 -17.573 1.00 0.00 O ATOM 675 CB GLU A 45 -7.867 -15.503 -18.345 1.00 0.00 C ATOM 676 CG GLU A 45 -7.197 -16.446 -19.331 1.00 0.00 C ATOM 677 CD GLU A 45 -6.793 -17.762 -18.696 1.00 0.00 C ATOM 678 OE1 GLU A 45 -7.595 -18.316 -17.916 1.00 0.00 O ATOM 679 OE2 GLU A 45 -5.675 -18.239 -18.981 1.00 0.00 O ATOM 0 H GLU A 45 -7.025 -13.845 -19.987 1.00 0.00 H new ATOM 0 HA GLU A 45 -9.601 -14.977 -19.501 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -7.099 -14.987 -17.770 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -8.455 -16.088 -17.638 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -7.876 -16.641 -20.161 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -6.314 -15.962 -19.748 1.00 0.00 H new ATOM 686 N ILE A 46 -8.515 -12.596 -17.487 1.00 0.00 N ATOM 687 CA ILE A 46 -8.936 -11.634 -16.476 1.00 0.00 C ATOM 688 C ILE A 46 -9.967 -10.661 -17.039 1.00 0.00 C ATOM 689 O ILE A 46 -10.868 -10.217 -16.330 1.00 0.00 O ATOM 690 CB ILE A 46 -7.740 -10.835 -15.925 1.00 0.00 C ATOM 691 CG1 ILE A 46 -6.930 -10.230 -17.074 1.00 0.00 C ATOM 692 CG2 ILE A 46 -6.860 -11.727 -15.062 1.00 0.00 C ATOM 693 CD1 ILE A 46 -5.864 -9.259 -16.617 1.00 0.00 C ATOM 0 H ILE A 46 -7.547 -12.491 -17.792 1.00 0.00 H new ATOM 0 HA ILE A 46 -9.385 -12.206 -15.664 1.00 0.00 H new ATOM 0 HB ILE A 46 -8.119 -10.022 -15.305 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -6.459 -11.035 -17.639 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -7.609 -9.717 -17.756 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -6.019 -11.148 -14.680 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -7.443 -12.115 -14.227 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -6.486 -12.558 -15.660 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -5.330 -8.870 -17.484 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -6.330 -8.434 -16.078 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -5.162 -9.772 -15.959 1.00 0.00 H new ATOM 705 N ASP A 47 -9.826 -10.335 -18.320 1.00 0.00 N ATOM 706 CA ASP A 47 -10.746 -9.415 -18.980 1.00 0.00 C ATOM 707 C ASP A 47 -12.133 -10.036 -19.115 1.00 0.00 C ATOM 708 O ASP A 47 -12.361 -10.895 -19.967 1.00 0.00 O ATOM 709 CB ASP A 47 -10.211 -9.029 -20.360 1.00 0.00 C ATOM 710 CG ASP A 47 -10.868 -7.776 -20.904 1.00 0.00 C ATOM 711 OD1 ASP A 47 -11.586 -7.062 -20.045 1.00 0.00 O ATOM 712 OD2 ASP A 47 -10.731 -7.453 -22.084 1.00 0.00 O ATOM 0 H ASP A 47 -9.084 -10.694 -18.921 1.00 0.00 H new ATOM 0 HA ASP A 47 -10.827 -8.518 -18.365 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -9.134 -8.874 -20.299 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -10.376 -9.853 -21.054 1.00 0.00 H new ATOM 717 N THR A 48 -13.058 -9.595 -18.267 1.00 0.00 N ATOM 718 CA THR A 48 -14.422 -10.106 -18.291 1.00 0.00 C ATOM 719 C THR A 48 -15.297 -9.296 -19.240 1.00 0.00 C ATOM 720 O THR A 48 -16.386 -9.729 -19.618 1.00 0.00 O ATOM 721 CB THR A 48 -15.054 -10.087 -16.886 1.00 0.00 C ATOM 722 OG1 THR A 48 -16.256 -10.864 -16.879 1.00 0.00 O ATOM 723 CG2 THR A 48 -15.361 -8.662 -16.451 1.00 0.00 C ATOM 0 H THR A 48 -12.886 -8.885 -17.555 1.00 0.00 H new ATOM 0 HA THR A 48 -14.367 -11.136 -18.643 1.00 0.00 H new ATOM 0 HB THR A 48 -14.340 -10.518 -16.184 1.00 0.00 H new ATOM 0 HG1 THR A 48 -16.652 -10.861 -17.775 1.00 0.00 H new ATOM 0 HG21 THR A 48 -15.807 -8.673 -15.456 1.00 0.00 H new ATOM 0 HG22 THR A 48 -14.439 -8.082 -16.429 1.00 0.00 H new ATOM 0 HG23 THR A 48 -16.058 -8.209 -17.156 1.00 0.00 H new ATOM 731 N ASP A 49 -14.814 -8.119 -19.623 1.00 0.00 N ATOM 732 CA ASP A 49 -15.552 -7.248 -20.530 1.00 0.00 C ATOM 733 C ASP A 49 -14.938 -7.273 -21.927 1.00 0.00 C ATOM 734 O ASP A 49 -15.416 -6.598 -22.838 1.00 0.00 O ATOM 735 CB ASP A 49 -15.573 -5.816 -19.994 1.00 0.00 C ATOM 736 CG ASP A 49 -14.897 -5.695 -18.642 1.00 0.00 C ATOM 737 OD1 ASP A 49 -13.669 -5.472 -18.610 1.00 0.00 O ATOM 738 OD2 ASP A 49 -15.597 -5.823 -17.616 1.00 0.00 O ATOM 0 H ASP A 49 -13.914 -7.746 -19.319 1.00 0.00 H new ATOM 0 HA ASP A 49 -16.575 -7.617 -20.595 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -15.076 -5.157 -20.706 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -16.606 -5.476 -19.913 1.00 0.00 H new ATOM 743 N GLY A 50 -13.875 -8.055 -22.087 1.00 0.00 N ATOM 744 CA GLY A 50 -13.212 -8.152 -23.374 1.00 0.00 C ATOM 745 C GLY A 50 -12.931 -6.794 -23.985 1.00 0.00 C ATOM 746 O GLY A 50 -12.994 -6.628 -25.203 1.00 0.00 O ATOM 0 H GLY A 50 -13.461 -8.623 -21.348 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -12.274 -8.695 -23.256 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -13.833 -8.733 -24.056 1.00 0.00 H new ATOM 750 N ASP A 51 -12.622 -5.818 -23.138 1.00 0.00 N ATOM 751 CA ASP A 51 -12.331 -4.467 -23.601 1.00 0.00 C ATOM 752 C ASP A 51 -10.831 -4.192 -23.568 1.00 0.00 C ATOM 753 O ASP A 51 -10.058 -4.978 -23.022 1.00 0.00 O ATOM 754 CB ASP A 51 -13.069 -3.440 -22.741 1.00 0.00 C ATOM 755 CG ASP A 51 -12.423 -3.251 -21.382 1.00 0.00 C ATOM 756 OD1 ASP A 51 -12.208 -4.262 -20.681 1.00 0.00 O ATOM 757 OD2 ASP A 51 -12.130 -2.092 -21.021 1.00 0.00 O ATOM 0 H ASP A 51 -12.567 -5.938 -22.127 1.00 0.00 H new ATOM 0 HA ASP A 51 -12.675 -4.381 -24.632 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -13.095 -2.484 -23.264 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -14.103 -3.758 -22.607 1.00 0.00 H new ATOM 762 N GLY A 52 -10.426 -3.071 -24.158 1.00 0.00 N ATOM 763 CA GLY A 52 -9.020 -2.714 -24.186 1.00 0.00 C ATOM 764 C GLY A 52 -8.571 -2.025 -22.912 1.00 0.00 C ATOM 765 O GLY A 52 -7.811 -1.057 -22.955 1.00 0.00 O ATOM 0 H GLY A 52 -11.047 -2.404 -24.617 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -8.423 -3.613 -24.339 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -8.832 -2.058 -25.036 1.00 0.00 H new ATOM 769 N PHE A 53 -9.044 -2.523 -21.774 1.00 0.00 N ATOM 770 CA PHE A 53 -8.689 -1.948 -20.482 1.00 0.00 C ATOM 771 C PHE A 53 -9.026 -2.910 -19.347 1.00 0.00 C ATOM 772 O PHE A 53 -9.956 -3.710 -19.453 1.00 0.00 O ATOM 773 CB PHE A 53 -9.419 -0.619 -20.273 1.00 0.00 C ATOM 774 CG PHE A 53 -8.699 0.560 -20.863 1.00 0.00 C ATOM 775 CD1 PHE A 53 -7.514 1.013 -20.306 1.00 0.00 C ATOM 776 CD2 PHE A 53 -9.207 1.214 -21.973 1.00 0.00 C ATOM 777 CE1 PHE A 53 -6.850 2.098 -20.846 1.00 0.00 C ATOM 778 CE2 PHE A 53 -8.547 2.300 -22.518 1.00 0.00 C ATOM 779 CZ PHE A 53 -7.367 2.742 -21.954 1.00 0.00 C ATOM 0 H PHE A 53 -9.674 -3.323 -21.721 1.00 0.00 H new ATOM 0 HA PHE A 53 -7.614 -1.769 -20.476 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -10.413 -0.686 -20.715 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -9.556 -0.453 -19.204 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -7.105 0.513 -19.441 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -10.130 0.872 -22.418 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -5.928 2.442 -20.402 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -8.954 2.802 -23.384 1.00 0.00 H new ATOM 0 HZ PHE A 53 -6.849 3.590 -22.378 1.00 0.00 H new ATOM 789 N ILE A 54 -8.262 -2.827 -18.263 1.00 0.00 N ATOM 790 CA ILE A 54 -8.480 -3.690 -17.108 1.00 0.00 C ATOM 791 C ILE A 54 -8.270 -2.927 -15.805 1.00 0.00 C ATOM 792 O ILE A 54 -7.309 -2.170 -15.664 1.00 0.00 O ATOM 793 CB ILE A 54 -7.541 -4.910 -17.132 1.00 0.00 C ATOM 794 CG1 ILE A 54 -6.097 -4.466 -17.374 1.00 0.00 C ATOM 795 CG2 ILE A 54 -7.983 -5.897 -18.202 1.00 0.00 C ATOM 796 CD1 ILE A 54 -5.070 -5.499 -16.966 1.00 0.00 C ATOM 0 H ILE A 54 -7.487 -2.172 -18.160 1.00 0.00 H new ATOM 0 HA ILE A 54 -9.512 -4.035 -17.162 1.00 0.00 H new ATOM 0 HB ILE A 54 -7.591 -5.407 -16.163 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -5.969 -4.236 -18.432 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -5.912 -3.544 -16.823 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -7.310 -6.754 -18.207 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -8.998 -6.234 -17.989 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -7.959 -5.411 -19.177 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -4.069 -5.116 -17.166 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -5.171 -5.712 -15.902 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -5.229 -6.415 -17.536 1.00 0.00 H new ATOM 808 N ASP A 55 -9.174 -3.132 -14.853 1.00 0.00 N ATOM 809 CA ASP A 55 -9.087 -2.465 -13.559 1.00 0.00 C ATOM 810 C ASP A 55 -8.165 -3.231 -12.615 1.00 0.00 C ATOM 811 O ASP A 55 -7.535 -4.214 -13.007 1.00 0.00 O ATOM 812 CB ASP A 55 -10.477 -2.331 -12.936 1.00 0.00 C ATOM 813 CG ASP A 55 -11.553 -2.069 -13.972 1.00 0.00 C ATOM 814 OD1 ASP A 55 -11.909 -3.013 -14.709 1.00 0.00 O ATOM 815 OD2 ASP A 55 -12.039 -0.922 -14.045 1.00 0.00 O ATOM 0 H ASP A 55 -9.976 -3.755 -14.953 1.00 0.00 H new ATOM 0 HA ASP A 55 -8.671 -1.470 -13.717 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -10.717 -3.243 -12.390 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -10.470 -1.518 -12.210 1.00 0.00 H new ATOM 820 N PHE A 56 -8.089 -2.773 -11.370 1.00 0.00 N ATOM 821 CA PHE A 56 -7.242 -3.413 -10.370 1.00 0.00 C ATOM 822 C PHE A 56 -7.656 -4.866 -10.156 1.00 0.00 C ATOM 823 O PHE A 56 -6.812 -5.756 -10.069 1.00 0.00 O ATOM 824 CB PHE A 56 -7.314 -2.650 -9.046 1.00 0.00 C ATOM 825 CG PHE A 56 -6.085 -2.805 -8.197 1.00 0.00 C ATOM 826 CD1 PHE A 56 -4.824 -2.607 -8.737 1.00 0.00 C ATOM 827 CD2 PHE A 56 -6.189 -3.148 -6.859 1.00 0.00 C ATOM 828 CE1 PHE A 56 -3.691 -2.749 -7.959 1.00 0.00 C ATOM 829 CE2 PHE A 56 -5.060 -3.291 -6.075 1.00 0.00 C ATOM 830 CZ PHE A 56 -3.809 -3.092 -6.626 1.00 0.00 C ATOM 0 H PHE A 56 -8.604 -1.961 -11.029 1.00 0.00 H new ATOM 0 HA PHE A 56 -6.215 -3.396 -10.735 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -7.471 -1.592 -9.254 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -8.181 -2.996 -8.483 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -4.726 -2.338 -9.778 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -7.164 -3.306 -6.423 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -2.714 -2.592 -8.392 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -5.156 -3.558 -5.033 1.00 0.00 H new ATOM 0 HZ PHE A 56 -2.925 -3.204 -6.016 1.00 0.00 H new ATOM 840 N ASN A 57 -8.963 -5.096 -10.072 1.00 0.00 N ATOM 841 CA ASN A 57 -9.490 -6.440 -9.866 1.00 0.00 C ATOM 842 C ASN A 57 -9.133 -7.349 -11.038 1.00 0.00 C ATOM 843 O ASN A 57 -8.795 -8.517 -10.849 1.00 0.00 O ATOM 844 CB ASN A 57 -11.009 -6.393 -9.688 1.00 0.00 C ATOM 845 CG ASN A 57 -11.460 -7.055 -8.400 1.00 0.00 C ATOM 846 OD1 ASN A 57 -12.440 -7.800 -8.383 1.00 0.00 O ATOM 847 ND2 ASN A 57 -10.746 -6.784 -7.314 1.00 0.00 N ATOM 0 H ASN A 57 -9.675 -4.370 -10.143 1.00 0.00 H new ATOM 0 HA ASN A 57 -9.037 -6.846 -8.962 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -11.341 -5.355 -9.696 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -11.487 -6.887 -10.534 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -11.002 -7.199 -6.418 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -9.941 -6.160 -7.375 1.00 0.00 H new ATOM 854 N GLU A 58 -9.210 -6.804 -12.248 1.00 0.00 N ATOM 855 CA GLU A 58 -8.895 -7.566 -13.451 1.00 0.00 C ATOM 856 C GLU A 58 -7.395 -7.833 -13.549 1.00 0.00 C ATOM 857 O GLU A 58 -6.967 -8.971 -13.744 1.00 0.00 O ATOM 858 CB GLU A 58 -9.373 -6.818 -14.696 1.00 0.00 C ATOM 859 CG GLU A 58 -10.881 -6.843 -14.880 1.00 0.00 C ATOM 860 CD GLU A 58 -11.317 -6.264 -16.212 1.00 0.00 C ATOM 861 OE1 GLU A 58 -11.234 -5.029 -16.378 1.00 0.00 O ATOM 862 OE2 GLU A 58 -11.739 -7.047 -17.089 1.00 0.00 O ATOM 0 H GLU A 58 -9.488 -5.838 -12.421 1.00 0.00 H new ATOM 0 HA GLU A 58 -9.414 -8.523 -13.390 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -9.040 -5.782 -14.637 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -8.901 -7.255 -15.576 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -11.236 -7.871 -14.802 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -11.351 -6.281 -14.073 1.00 0.00 H new ATOM 869 N PHE A 59 -6.602 -6.775 -13.412 1.00 0.00 N ATOM 870 CA PHE A 59 -5.151 -6.894 -13.487 1.00 0.00 C ATOM 871 C PHE A 59 -4.619 -7.782 -12.366 1.00 0.00 C ATOM 872 O PHE A 59 -3.641 -8.508 -12.546 1.00 0.00 O ATOM 873 CB PHE A 59 -4.501 -5.511 -13.409 1.00 0.00 C ATOM 874 CG PHE A 59 -3.012 -5.536 -13.610 1.00 0.00 C ATOM 875 CD1 PHE A 59 -2.466 -6.048 -14.776 1.00 0.00 C ATOM 876 CD2 PHE A 59 -2.160 -5.048 -12.633 1.00 0.00 C ATOM 877 CE1 PHE A 59 -1.097 -6.073 -14.964 1.00 0.00 C ATOM 878 CE2 PHE A 59 -0.790 -5.070 -12.816 1.00 0.00 C ATOM 879 CZ PHE A 59 -0.258 -5.584 -13.982 1.00 0.00 C ATOM 0 H PHE A 59 -6.940 -5.827 -13.249 1.00 0.00 H new ATOM 0 HA PHE A 59 -4.898 -7.354 -14.442 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -4.950 -4.864 -14.162 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -4.721 -5.069 -12.437 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -3.118 -6.432 -15.547 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -2.570 -4.646 -11.718 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -0.684 -6.474 -15.878 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -0.136 -4.685 -12.047 1.00 0.00 H new ATOM 0 HZ PHE A 59 0.812 -5.604 -14.126 1.00 0.00 H new ATOM 889 N ILE A 60 -5.270 -7.718 -11.209 1.00 0.00 N ATOM 890 CA ILE A 60 -4.864 -8.516 -10.059 1.00 0.00 C ATOM 891 C ILE A 60 -5.136 -9.998 -10.295 1.00 0.00 C ATOM 892 O ILE A 60 -4.278 -10.845 -10.045 1.00 0.00 O ATOM 893 CB ILE A 60 -5.593 -8.070 -8.778 1.00 0.00 C ATOM 894 CG1 ILE A 60 -4.912 -6.837 -8.181 1.00 0.00 C ATOM 895 CG2 ILE A 60 -5.628 -9.205 -7.766 1.00 0.00 C ATOM 896 CD1 ILE A 60 -3.643 -7.156 -7.421 1.00 0.00 C ATOM 0 H ILE A 60 -6.081 -7.122 -11.044 1.00 0.00 H new ATOM 0 HA ILE A 60 -3.793 -8.361 -9.930 1.00 0.00 H new ATOM 0 HB ILE A 60 -6.619 -7.807 -9.034 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -4.679 -6.136 -8.983 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -5.610 -6.335 -7.512 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -6.146 -8.874 -6.866 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -6.153 -10.058 -8.195 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -4.609 -9.497 -7.511 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -3.214 -6.235 -7.026 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -3.872 -7.832 -6.597 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -2.927 -7.631 -8.092 1.00 0.00 H new ATOM 908 N SER A 61 -6.335 -10.304 -10.779 1.00 0.00 N ATOM 909 CA SER A 61 -6.722 -11.685 -11.048 1.00 0.00 C ATOM 910 C SER A 61 -5.625 -12.416 -11.816 1.00 0.00 C ATOM 911 O SER A 61 -5.478 -13.633 -11.702 1.00 0.00 O ATOM 912 CB SER A 61 -8.030 -11.726 -11.840 1.00 0.00 C ATOM 913 OG SER A 61 -8.285 -13.028 -12.336 1.00 0.00 O ATOM 0 H SER A 61 -7.056 -9.615 -10.993 1.00 0.00 H new ATOM 0 HA SER A 61 -6.869 -12.188 -10.092 1.00 0.00 H new ATOM 0 HB2 SER A 61 -8.855 -11.408 -11.202 1.00 0.00 H new ATOM 0 HB3 SER A 61 -7.979 -11.021 -12.670 1.00 0.00 H new ATOM 0 HG SER A 61 -9.127 -13.028 -12.837 1.00 0.00 H new ATOM 919 N PHE A 62 -4.858 -11.665 -12.599 1.00 0.00 N ATOM 920 CA PHE A 62 -3.776 -12.240 -13.388 1.00 0.00 C ATOM 921 C PHE A 62 -2.697 -12.830 -12.484 1.00 0.00 C ATOM 922 O PHE A 62 -2.223 -13.943 -12.710 1.00 0.00 O ATOM 923 CB PHE A 62 -3.164 -11.179 -14.305 1.00 0.00 C ATOM 924 CG PHE A 62 -2.467 -11.753 -15.505 1.00 0.00 C ATOM 925 CD1 PHE A 62 -1.501 -12.735 -15.358 1.00 0.00 C ATOM 926 CD2 PHE A 62 -2.778 -11.310 -16.781 1.00 0.00 C ATOM 927 CE1 PHE A 62 -0.858 -13.264 -16.461 1.00 0.00 C ATOM 928 CE2 PHE A 62 -2.139 -11.836 -17.888 1.00 0.00 C ATOM 929 CZ PHE A 62 -1.178 -12.815 -17.727 1.00 0.00 C ATOM 0 H PHE A 62 -4.966 -10.656 -12.704 1.00 0.00 H new ATOM 0 HA PHE A 62 -4.192 -13.041 -13.998 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -3.951 -10.503 -14.641 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -2.453 -10.582 -13.733 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -1.248 -13.091 -14.370 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -3.529 -10.545 -16.912 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -0.106 -14.028 -16.333 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -2.391 -11.482 -18.877 1.00 0.00 H new ATOM 0 HZ PHE A 62 -0.678 -13.229 -18.590 1.00 0.00 H new ATOM 939 N CYS A 63 -2.316 -12.075 -11.459 1.00 0.00 N ATOM 940 CA CYS A 63 -1.292 -12.521 -10.520 1.00 0.00 C ATOM 941 C CYS A 63 -1.849 -13.575 -9.570 1.00 0.00 C ATOM 942 O CYS A 63 -1.207 -14.591 -9.308 1.00 0.00 O ATOM 943 CB CYS A 63 -0.750 -11.334 -9.724 1.00 0.00 C ATOM 944 SG CYS A 63 0.462 -11.785 -8.460 1.00 0.00 S ATOM 0 H CYS A 63 -2.700 -11.152 -11.257 1.00 0.00 H new ATOM 0 HA CYS A 63 -0.478 -12.967 -11.092 1.00 0.00 H new ATOM 0 HB2 CYS A 63 -0.292 -10.626 -10.415 1.00 0.00 H new ATOM 0 HB3 CYS A 63 -1.584 -10.820 -9.246 1.00 0.00 H new ATOM 0 HG CYS A 63 1.208 -10.756 -8.187 1.00 0.00 H new ATOM 950 N ASN A 64 -3.048 -13.325 -9.054 1.00 0.00 N ATOM 951 CA ASN A 64 -3.691 -14.252 -8.129 1.00 0.00 C ATOM 952 C ASN A 64 -3.846 -15.631 -8.762 1.00 0.00 C ATOM 953 O ASN A 64 -3.975 -16.635 -8.062 1.00 0.00 O ATOM 954 CB ASN A 64 -5.061 -13.716 -7.707 1.00 0.00 C ATOM 955 CG ASN A 64 -5.064 -13.195 -6.283 1.00 0.00 C ATOM 956 OD1 ASN A 64 -5.484 -13.889 -5.357 1.00 0.00 O ATOM 957 ND2 ASN A 64 -4.593 -11.966 -6.101 1.00 0.00 N ATOM 0 H ASN A 64 -3.594 -12.489 -9.260 1.00 0.00 H new ATOM 0 HA ASN A 64 -3.057 -14.345 -7.247 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -5.360 -12.916 -8.384 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -5.803 -14.508 -7.803 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -4.570 -11.562 -5.165 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -4.255 -11.426 -6.898 1.00 0.00 H new ATOM 964 N ALA A 65 -3.831 -15.672 -10.090 1.00 0.00 N ATOM 965 CA ALA A 65 -3.967 -16.928 -10.817 1.00 0.00 C ATOM 966 C ALA A 65 -2.623 -17.636 -10.946 1.00 0.00 C ATOM 967 O ALA A 65 -2.566 -18.837 -11.209 1.00 0.00 O ATOM 968 CB ALA A 65 -4.568 -16.679 -12.193 1.00 0.00 C ATOM 0 H ALA A 65 -3.726 -14.850 -10.684 1.00 0.00 H new ATOM 0 HA ALA A 65 -4.637 -17.576 -10.251 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -4.664 -17.626 -12.725 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -5.552 -16.223 -12.083 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -3.919 -16.010 -12.758 1.00 0.00 H new ATOM 974 N ASN A 66 -1.543 -16.884 -10.758 1.00 0.00 N ATOM 975 CA ASN A 66 -0.198 -17.441 -10.855 1.00 0.00 C ATOM 976 C ASN A 66 -0.049 -18.289 -12.114 1.00 0.00 C ATOM 977 O ASN A 66 0.325 -19.461 -12.063 1.00 0.00 O ATOM 978 CB ASN A 66 0.117 -18.284 -9.618 1.00 0.00 C ATOM 979 CG ASN A 66 0.460 -17.434 -8.410 1.00 0.00 C ATOM 980 OD1 ASN A 66 1.630 -17.268 -8.066 1.00 0.00 O ATOM 981 ND2 ASN A 66 -0.562 -16.890 -7.760 1.00 0.00 N ATOM 0 H ASN A 66 -1.573 -15.888 -10.538 1.00 0.00 H new ATOM 0 HA ASN A 66 0.508 -16.613 -10.912 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -0.741 -18.914 -9.383 1.00 0.00 H new ATOM 0 HB3 ASN A 66 0.951 -18.950 -9.839 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -0.393 -16.308 -6.940 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -1.516 -17.055 -8.081 1.00 0.00 H new ATOM 988 N PRO A 67 -0.349 -17.685 -13.274 1.00 0.00 N ATOM 989 CA PRO A 67 -0.255 -18.365 -14.568 1.00 0.00 C ATOM 990 C PRO A 67 1.189 -18.644 -14.973 1.00 0.00 C ATOM 991 O PRO A 67 1.460 -19.561 -15.748 1.00 0.00 O ATOM 992 CB PRO A 67 -0.900 -17.373 -15.539 1.00 0.00 C ATOM 993 CG PRO A 67 -0.726 -16.042 -14.891 1.00 0.00 C ATOM 994 CD PRO A 67 -0.801 -16.290 -13.410 1.00 0.00 C ATOM 0 HA PRO A 67 -0.739 -19.341 -14.551 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -0.417 -17.404 -16.516 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -1.954 -17.602 -15.697 1.00 0.00 H new ATOM 0 HG2 PRO A 67 0.231 -15.597 -15.164 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -1.503 -15.348 -15.210 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -0.161 -15.604 -12.855 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -1.814 -16.157 -13.031 1.00 0.00 H new ATOM 1002 N GLY A 68 2.112 -17.847 -14.444 1.00 0.00 N ATOM 1003 CA GLY A 68 3.517 -18.025 -14.762 1.00 0.00 C ATOM 1004 C GLY A 68 4.048 -16.934 -15.670 1.00 0.00 C ATOM 1005 O GLY A 68 5.160 -17.035 -16.190 1.00 0.00 O ATOM 0 H GLY A 68 1.912 -17.081 -13.801 1.00 0.00 H new ATOM 0 HA2 GLY A 68 4.096 -18.039 -13.839 1.00 0.00 H new ATOM 0 HA3 GLY A 68 3.658 -18.994 -15.242 1.00 0.00 H new ATOM 1009 N LEU A 69 3.253 -15.887 -15.862 1.00 0.00 N ATOM 1010 CA LEU A 69 3.649 -14.772 -16.715 1.00 0.00 C ATOM 1011 C LEU A 69 4.120 -13.586 -15.879 1.00 0.00 C ATOM 1012 O LEU A 69 5.265 -13.149 -15.993 1.00 0.00 O ATOM 1013 CB LEU A 69 2.482 -14.348 -17.609 1.00 0.00 C ATOM 1014 CG LEU A 69 2.005 -15.386 -18.626 1.00 0.00 C ATOM 1015 CD1 LEU A 69 3.140 -15.781 -19.559 1.00 0.00 C ATOM 1016 CD2 LEU A 69 1.445 -16.610 -17.916 1.00 0.00 C ATOM 0 H LEU A 69 2.330 -15.787 -15.439 1.00 0.00 H new ATOM 0 HA LEU A 69 4.477 -15.103 -17.341 1.00 0.00 H new ATOM 0 HB2 LEU A 69 1.640 -14.080 -16.971 1.00 0.00 H new ATOM 0 HB3 LEU A 69 2.772 -13.447 -18.149 1.00 0.00 H new ATOM 0 HG LEU A 69 1.209 -14.942 -19.224 1.00 0.00 H new ATOM 0 HD11 LEU A 69 2.782 -16.520 -20.275 1.00 0.00 H new ATOM 0 HD12 LEU A 69 3.495 -14.900 -20.094 1.00 0.00 H new ATOM 0 HD13 LEU A 69 3.958 -16.206 -18.977 1.00 0.00 H new ATOM 0 HD21 LEU A 69 1.110 -17.338 -18.655 1.00 0.00 H new ATOM 0 HD22 LEU A 69 2.220 -17.056 -17.293 1.00 0.00 H new ATOM 0 HD23 LEU A 69 0.603 -16.314 -17.291 1.00 0.00 H new ATOM 1028 N MET A 70 3.229 -13.073 -15.036 1.00 0.00 N ATOM 1029 CA MET A 70 3.555 -11.940 -14.178 1.00 0.00 C ATOM 1030 C MET A 70 4.672 -12.300 -13.203 1.00 0.00 C ATOM 1031 O MET A 70 5.383 -11.426 -12.706 1.00 0.00 O ATOM 1032 CB MET A 70 2.316 -11.485 -13.405 1.00 0.00 C ATOM 1033 CG MET A 70 1.108 -11.226 -14.291 1.00 0.00 C ATOM 1034 SD MET A 70 0.717 -9.471 -14.437 1.00 0.00 S ATOM 1035 CE MET A 70 1.990 -8.934 -15.577 1.00 0.00 C ATOM 0 H MET A 70 2.277 -13.424 -14.929 1.00 0.00 H new ATOM 0 HA MET A 70 3.899 -11.123 -14.813 1.00 0.00 H new ATOM 0 HB2 MET A 70 2.059 -12.245 -12.667 1.00 0.00 H new ATOM 0 HB3 MET A 70 2.555 -10.575 -12.855 1.00 0.00 H new ATOM 0 HG2 MET A 70 1.295 -11.636 -15.283 1.00 0.00 H new ATOM 0 HG3 MET A 70 0.245 -11.754 -13.886 1.00 0.00 H new ATOM 0 HE1 MET A 70 1.733 -7.952 -15.974 1.00 0.00 H new ATOM 0 HE2 MET A 70 2.945 -8.876 -15.055 1.00 0.00 H new ATOM 0 HE3 MET A 70 2.068 -9.647 -16.397 1.00 0.00 H new ATOM 1045 N LYS A 71 4.822 -13.593 -12.933 1.00 0.00 N ATOM 1046 CA LYS A 71 5.853 -14.070 -12.019 1.00 0.00 C ATOM 1047 C LYS A 71 7.214 -13.482 -12.380 1.00 0.00 C ATOM 1048 O LYS A 71 7.952 -13.020 -11.509 1.00 0.00 O ATOM 1049 CB LYS A 71 5.921 -15.598 -12.048 1.00 0.00 C ATOM 1050 CG LYS A 71 4.567 -16.270 -11.904 1.00 0.00 C ATOM 1051 CD LYS A 71 4.701 -17.683 -11.360 1.00 0.00 C ATOM 1052 CE LYS A 71 5.163 -17.680 -9.911 1.00 0.00 C ATOM 1053 NZ LYS A 71 6.280 -18.639 -9.684 1.00 0.00 N ATOM 0 H LYS A 71 4.242 -14.329 -13.335 1.00 0.00 H new ATOM 0 HA LYS A 71 5.591 -13.743 -11.012 1.00 0.00 H new ATOM 0 HB2 LYS A 71 6.377 -15.915 -12.986 1.00 0.00 H new ATOM 0 HB3 LYS A 71 6.574 -15.940 -11.245 1.00 0.00 H new ATOM 0 HG2 LYS A 71 3.936 -15.681 -11.238 1.00 0.00 H new ATOM 0 HG3 LYS A 71 4.069 -16.298 -12.873 1.00 0.00 H new ATOM 0 HD2 LYS A 71 3.742 -18.196 -11.436 1.00 0.00 H new ATOM 0 HD3 LYS A 71 5.411 -18.243 -11.969 1.00 0.00 H new ATOM 0 HE2 LYS A 71 5.484 -16.676 -9.634 1.00 0.00 H new ATOM 0 HE3 LYS A 71 4.326 -17.937 -9.262 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 6.567 -18.608 -8.685 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 5.966 -19.601 -9.924 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 7.088 -18.379 -10.284 1.00 0.00 H new ATOM 1067 N ASP A 72 7.539 -13.502 -13.668 1.00 0.00 N ATOM 1068 CA ASP A 72 8.810 -12.969 -14.143 1.00 0.00 C ATOM 1069 C ASP A 72 8.716 -11.464 -14.375 1.00 0.00 C ATOM 1070 O ASP A 72 9.718 -10.752 -14.310 1.00 0.00 O ATOM 1071 CB ASP A 72 9.230 -13.671 -15.436 1.00 0.00 C ATOM 1072 CG ASP A 72 10.736 -13.773 -15.576 1.00 0.00 C ATOM 1073 OD1 ASP A 72 11.345 -12.840 -16.140 1.00 0.00 O ATOM 1074 OD2 ASP A 72 11.307 -14.786 -15.121 1.00 0.00 O ATOM 0 H ASP A 72 6.940 -13.881 -14.401 1.00 0.00 H new ATOM 0 HA ASP A 72 9.562 -13.154 -13.376 1.00 0.00 H new ATOM 0 HB2 ASP A 72 8.797 -14.671 -15.460 1.00 0.00 H new ATOM 0 HB3 ASP A 72 8.825 -13.127 -16.289 1.00 0.00 H new ATOM 1079 N VAL A 73 7.506 -10.987 -14.646 1.00 0.00 N ATOM 1080 CA VAL A 73 7.280 -9.567 -14.887 1.00 0.00 C ATOM 1081 C VAL A 73 7.439 -8.759 -13.603 1.00 0.00 C ATOM 1082 O VAL A 73 8.318 -7.904 -13.501 1.00 0.00 O ATOM 1083 CB VAL A 73 5.878 -9.312 -15.470 1.00 0.00 C ATOM 1084 CG1 VAL A 73 5.690 -7.836 -15.784 1.00 0.00 C ATOM 1085 CG2 VAL A 73 5.655 -10.162 -16.712 1.00 0.00 C ATOM 0 H VAL A 73 6.666 -11.563 -14.704 1.00 0.00 H new ATOM 0 HA VAL A 73 8.030 -9.246 -15.610 1.00 0.00 H new ATOM 0 HB VAL A 73 5.136 -9.597 -14.724 1.00 0.00 H new ATOM 0 HG11 VAL A 73 4.693 -7.676 -16.195 1.00 0.00 H new ATOM 0 HG12 VAL A 73 5.804 -7.252 -14.871 1.00 0.00 H new ATOM 0 HG13 VAL A 73 6.438 -7.521 -16.512 1.00 0.00 H new ATOM 0 HG21 VAL A 73 4.659 -9.969 -17.111 1.00 0.00 H new ATOM 0 HG22 VAL A 73 6.402 -9.910 -17.464 1.00 0.00 H new ATOM 0 HG23 VAL A 73 5.744 -11.217 -16.452 1.00 0.00 H new ATOM 1095 N ALA A 74 6.582 -9.038 -12.626 1.00 0.00 N ATOM 1096 CA ALA A 74 6.629 -8.339 -11.348 1.00 0.00 C ATOM 1097 C ALA A 74 8.034 -8.369 -10.756 1.00 0.00 C ATOM 1098 O ALA A 74 8.414 -7.487 -9.986 1.00 0.00 O ATOM 1099 CB ALA A 74 5.632 -8.952 -10.375 1.00 0.00 C ATOM 0 H ALA A 74 5.848 -9.743 -12.695 1.00 0.00 H new ATOM 0 HA ALA A 74 6.359 -7.297 -11.522 1.00 0.00 H new ATOM 0 HB1 ALA A 74 5.677 -8.421 -9.424 1.00 0.00 H new ATOM 0 HB2 ALA A 74 4.626 -8.873 -10.787 1.00 0.00 H new ATOM 0 HB3 ALA A 74 5.878 -10.002 -10.216 1.00 0.00 H new ATOM 1105 N LYS A 75 8.803 -9.389 -11.122 1.00 0.00 N ATOM 1106 CA LYS A 75 10.167 -9.535 -10.628 1.00 0.00 C ATOM 1107 C LYS A 75 11.018 -8.331 -11.018 1.00 0.00 C ATOM 1108 O LYS A 75 11.945 -7.955 -10.301 1.00 0.00 O ATOM 1109 CB LYS A 75 10.796 -10.817 -11.179 1.00 0.00 C ATOM 1110 CG LYS A 75 11.811 -10.572 -12.282 1.00 0.00 C ATOM 1111 CD LYS A 75 12.182 -11.861 -12.995 1.00 0.00 C ATOM 1112 CE LYS A 75 12.704 -12.906 -12.021 1.00 0.00 C ATOM 1113 NZ LYS A 75 14.019 -13.458 -12.450 1.00 0.00 N ATOM 0 H LYS A 75 8.504 -10.127 -11.759 1.00 0.00 H new ATOM 0 HA LYS A 75 10.129 -9.594 -9.540 1.00 0.00 H new ATOM 0 HB2 LYS A 75 11.281 -11.353 -10.363 1.00 0.00 H new ATOM 0 HB3 LYS A 75 10.006 -11.464 -11.561 1.00 0.00 H new ATOM 0 HG2 LYS A 75 11.404 -9.862 -13.001 1.00 0.00 H new ATOM 0 HG3 LYS A 75 12.707 -10.118 -11.859 1.00 0.00 H new ATOM 0 HD2 LYS A 75 11.310 -12.253 -13.518 1.00 0.00 H new ATOM 0 HD3 LYS A 75 12.940 -11.655 -13.750 1.00 0.00 H new ATOM 0 HE2 LYS A 75 12.803 -12.462 -11.031 1.00 0.00 H new ATOM 0 HE3 LYS A 75 11.980 -13.717 -11.936 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 14.340 -14.167 -11.760 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 13.920 -13.905 -13.384 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 14.717 -12.689 -12.506 1.00 0.00 H new ATOM 1127 N VAL A 76 10.696 -7.728 -12.159 1.00 0.00 N ATOM 1128 CA VAL A 76 11.429 -6.565 -12.643 1.00 0.00 C ATOM 1129 C VAL A 76 10.583 -5.301 -12.540 1.00 0.00 C ATOM 1130 O VAL A 76 10.817 -4.325 -13.254 1.00 0.00 O ATOM 1131 CB VAL A 76 11.878 -6.752 -14.104 1.00 0.00 C ATOM 1132 CG1 VAL A 76 13.052 -7.716 -14.183 1.00 0.00 C ATOM 1133 CG2 VAL A 76 10.718 -7.241 -14.959 1.00 0.00 C ATOM 0 H VAL A 76 9.932 -8.027 -12.765 1.00 0.00 H new ATOM 0 HA VAL A 76 12.311 -6.461 -12.011 1.00 0.00 H new ATOM 0 HB VAL A 76 12.204 -5.787 -14.492 1.00 0.00 H new ATOM 0 HG11 VAL A 76 13.355 -7.836 -15.223 1.00 0.00 H new ATOM 0 HG12 VAL A 76 13.887 -7.321 -13.605 1.00 0.00 H new ATOM 0 HG13 VAL A 76 12.756 -8.684 -13.778 1.00 0.00 H new ATOM 0 HG21 VAL A 76 11.053 -7.368 -15.988 1.00 0.00 H new ATOM 0 HG22 VAL A 76 10.359 -8.196 -14.574 1.00 0.00 H new ATOM 0 HG23 VAL A 76 9.910 -6.510 -14.928 1.00 0.00 H new ATOM 1143 N PHE A 77 9.599 -5.324 -11.648 1.00 0.00 N ATOM 1144 CA PHE A 77 8.717 -4.180 -11.451 1.00 0.00 C ATOM 1145 C PHE A 77 9.482 -2.998 -10.863 1.00 0.00 C ATOM 1146 O PHE A 77 9.373 -1.872 -11.347 1.00 0.00 O ATOM 1147 CB PHE A 77 7.554 -4.557 -10.532 1.00 0.00 C ATOM 1148 CG PHE A 77 7.893 -4.476 -9.071 1.00 0.00 C ATOM 1149 CD1 PHE A 77 9.062 -5.039 -8.585 1.00 0.00 C ATOM 1150 CD2 PHE A 77 7.043 -3.836 -8.184 1.00 0.00 C ATOM 1151 CE1 PHE A 77 9.377 -4.965 -7.242 1.00 0.00 C ATOM 1152 CE2 PHE A 77 7.353 -3.758 -6.839 1.00 0.00 C ATOM 1153 CZ PHE A 77 8.521 -4.325 -6.367 1.00 0.00 C ATOM 0 H PHE A 77 9.392 -6.123 -11.049 1.00 0.00 H new ATOM 0 HA PHE A 77 8.322 -3.887 -12.424 1.00 0.00 H new ATOM 0 HB2 PHE A 77 6.710 -3.898 -10.738 1.00 0.00 H new ATOM 0 HB3 PHE A 77 7.231 -5.571 -10.766 1.00 0.00 H new ATOM 0 HD1 PHE A 77 9.735 -5.542 -9.264 1.00 0.00 H new ATOM 0 HD2 PHE A 77 6.128 -3.393 -8.547 1.00 0.00 H new ATOM 0 HE1 PHE A 77 10.292 -5.407 -6.876 1.00 0.00 H new ATOM 0 HE2 PHE A 77 6.683 -3.254 -6.158 1.00 0.00 H new ATOM 0 HZ PHE A 77 8.764 -4.268 -5.316 1.00 0.00 H new