USER MOD reduce.3.24.130724 H: found=0, std=0, add=532, rem=0, adj=14 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 -149:sc= -0.595 (180deg=-2.82!) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 SER OG : rot 43:sc= 0.134 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 25 THR OG1 : rot -99:sc= -1.86 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot -150:sc= -0.114 USER MOD Single : A 34 THR OG1 : rot -47:sc= 0.855 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 40 GLN :FLIP amide:sc= 0 F(o=-0.55,f=0) USER MOD Single : A 42 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 43 MET CE :methyl 177:sc= -0.95 (180deg=-0.986) USER MOD Single : A 48 THR OG1 : rot -25:sc= 0.0823 USER MOD Single : A 57 ASN : amide:sc= -0.279 X(o=-0.28,f=-0.078) USER MOD Single : A 61 SER OG : rot 81:sc= 0.154 USER MOD Single : A 63 CYS SG : rot 160:sc= 0.517 USER MOD Single : A 64 ASN : amide:sc= -0.13 X(o=-0.13,f=0) USER MOD Single : A 66 ASN : amide:sc= -0.208 X(o=-0.21,f=0) USER MOD Single : A 70 MET CE :methyl 174:sc= -1.02 (180deg=-1.09) 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 2.812 -4.465 -4.894 1.00 0.00 N ATOM 24 CA ASP A 3 3.678 -4.271 -6.051 1.00 0.00 C ATOM 25 C ASP A 3 2.860 -4.189 -7.336 1.00 0.00 C ATOM 26 O ASP A 3 3.184 -3.421 -8.242 1.00 0.00 O ATOM 27 CB ASP A 3 4.694 -5.410 -6.151 1.00 0.00 C ATOM 28 CG ASP A 3 5.765 -5.327 -5.081 1.00 0.00 C ATOM 29 OD1 ASP A 3 6.773 -4.623 -5.304 1.00 0.00 O ATOM 30 OD2 ASP A 3 5.595 -5.964 -4.021 1.00 0.00 O ATOM 0 HA ASP A 3 4.211 -3.329 -5.920 1.00 0.00 H new ATOM 0 HB2 ASP A 3 4.174 -6.365 -6.067 1.00 0.00 H new ATOM 0 HB3 ASP A 3 5.164 -5.388 -7.134 1.00 0.00 H new ATOM 35 N MET A 4 1.798 -4.985 -7.407 1.00 0.00 N ATOM 36 CA MET A 4 0.933 -5.001 -8.581 1.00 0.00 C ATOM 37 C MET A 4 0.445 -3.596 -8.916 1.00 0.00 C ATOM 38 O MET A 4 0.147 -3.292 -10.071 1.00 0.00 O ATOM 39 CB MET A 4 -0.262 -5.927 -8.347 1.00 0.00 C ATOM 40 CG MET A 4 0.114 -7.258 -7.715 1.00 0.00 C ATOM 41 SD MET A 4 1.505 -8.052 -8.544 1.00 0.00 S ATOM 42 CE MET A 4 0.956 -8.001 -10.249 1.00 0.00 C ATOM 0 H MET A 4 1.516 -5.627 -6.666 1.00 0.00 H new ATOM 0 HA MET A 4 1.513 -5.375 -9.424 1.00 0.00 H new ATOM 0 HB2 MET A 4 -0.983 -5.421 -7.706 1.00 0.00 H new ATOM 0 HB3 MET A 4 -0.758 -6.114 -9.299 1.00 0.00 H new ATOM 0 HG2 MET A 4 0.363 -7.100 -6.666 1.00 0.00 H new ATOM 0 HG3 MET A 4 -0.748 -7.925 -7.741 1.00 0.00 H new ATOM 0 HE1 MET A 4 1.355 -8.862 -10.786 1.00 0.00 H new ATOM 0 HE2 MET A 4 -0.133 -8.026 -10.281 1.00 0.00 H new ATOM 0 HE3 MET A 4 1.312 -7.084 -10.718 1.00 0.00 H new ATOM 52 N GLU A 5 0.365 -2.744 -7.899 1.00 0.00 N ATOM 53 CA GLU A 5 -0.089 -1.371 -8.088 1.00 0.00 C ATOM 54 C GLU A 5 0.864 -0.603 -8.999 1.00 0.00 C ATOM 55 O GLU A 5 0.437 0.051 -9.951 1.00 0.00 O ATOM 56 CB GLU A 5 -0.206 -0.659 -6.738 1.00 0.00 C ATOM 57 CG GLU A 5 -1.153 0.529 -6.757 1.00 0.00 C ATOM 58 CD GLU A 5 -1.438 1.070 -5.369 1.00 0.00 C ATOM 59 OE1 GLU A 5 -0.513 1.069 -4.531 1.00 0.00 O ATOM 60 OE2 GLU A 5 -2.587 1.493 -5.121 1.00 0.00 O ATOM 0 H GLU A 5 0.608 -2.980 -6.937 1.00 0.00 H new ATOM 0 HA GLU A 5 -1.070 -1.402 -8.561 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -0.547 -1.373 -5.988 1.00 0.00 H new ATOM 0 HB3 GLU A 5 0.783 -0.320 -6.429 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -0.724 1.321 -7.371 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -2.091 0.234 -7.228 1.00 0.00 H new ATOM 67 N ARG A 6 2.156 -0.688 -8.701 1.00 0.00 N ATOM 68 CA ARG A 6 3.170 0.000 -9.492 1.00 0.00 C ATOM 69 C ARG A 6 3.009 -0.318 -10.975 1.00 0.00 C ATOM 70 O ARG A 6 2.816 0.581 -11.795 1.00 0.00 O ATOM 71 CB ARG A 6 4.570 -0.399 -9.022 1.00 0.00 C ATOM 72 CG ARG A 6 5.080 0.429 -7.854 1.00 0.00 C ATOM 73 CD ARG A 6 4.151 0.329 -6.654 1.00 0.00 C ATOM 74 NE ARG A 6 4.643 1.102 -5.516 1.00 0.00 N ATOM 75 CZ ARG A 6 3.924 1.342 -4.425 1.00 0.00 C ATOM 76 NH1 ARG A 6 2.688 0.871 -4.325 1.00 0.00 N ATOM 77 NH2 ARG A 6 4.440 2.054 -3.432 1.00 0.00 N ATOM 0 H ARG A 6 2.526 -1.226 -7.918 1.00 0.00 H new ATOM 0 HA ARG A 6 3.040 1.073 -9.352 1.00 0.00 H new ATOM 0 HB2 ARG A 6 4.561 -1.450 -8.735 1.00 0.00 H new ATOM 0 HB3 ARG A 6 5.265 -0.302 -9.856 1.00 0.00 H new ATOM 0 HG2 ARG A 6 6.077 0.089 -7.573 1.00 0.00 H new ATOM 0 HG3 ARG A 6 5.173 1.472 -8.158 1.00 0.00 H new ATOM 0 HD2 ARG A 6 3.159 0.685 -6.933 1.00 0.00 H new ATOM 0 HD3 ARG A 6 4.045 -0.716 -6.364 1.00 0.00 H new ATOM 0 HE ARG A 6 5.590 1.478 -5.562 1.00 0.00 H new ATOM 0 HH11 ARG A 6 2.288 0.323 -5.087 1.00 0.00 H new ATOM 0 HH12 ARG A 6 2.138 1.057 -3.486 1.00 0.00 H new ATOM 0 HH21 ARG A 6 5.390 2.418 -3.505 1.00 0.00 H new ATOM 0 HH22 ARG A 6 3.887 2.238 -2.595 1.00 0.00 H new ATOM 91 N ILE A 7 3.091 -1.600 -11.313 1.00 0.00 N ATOM 92 CA ILE A 7 2.954 -2.035 -12.697 1.00 0.00 C ATOM 93 C ILE A 7 1.647 -1.537 -13.304 1.00 0.00 C ATOM 94 O ILE A 7 1.627 -1.009 -14.416 1.00 0.00 O ATOM 95 CB ILE A 7 3.008 -3.570 -12.813 1.00 0.00 C ATOM 96 CG1 ILE A 7 4.223 -4.117 -12.060 1.00 0.00 C ATOM 97 CG2 ILE A 7 3.051 -3.990 -14.275 1.00 0.00 C ATOM 98 CD1 ILE A 7 3.878 -4.728 -10.720 1.00 0.00 C ATOM 0 H ILE A 7 3.252 -2.356 -10.647 1.00 0.00 H new ATOM 0 HA ILE A 7 3.793 -1.607 -13.246 1.00 0.00 H new ATOM 0 HB ILE A 7 2.107 -3.986 -12.362 1.00 0.00 H new ATOM 0 HG12 ILE A 7 4.715 -4.869 -12.677 1.00 0.00 H new ATOM 0 HG13 ILE A 7 4.940 -3.310 -11.909 1.00 0.00 H new ATOM 0 HG21 ILE A 7 3.089 -5.077 -14.340 1.00 0.00 H new ATOM 0 HG22 ILE A 7 2.158 -3.627 -14.784 1.00 0.00 H new ATOM 0 HG23 ILE A 7 3.937 -3.567 -14.749 1.00 0.00 H new ATOM 0 HD11 ILE A 7 4.787 -5.095 -10.243 1.00 0.00 H new ATOM 0 HD12 ILE A 7 3.414 -3.974 -10.085 1.00 0.00 H new ATOM 0 HD13 ILE A 7 3.185 -5.556 -10.866 1.00 0.00 H new ATOM 110 N PHE A 8 0.556 -1.706 -12.564 1.00 0.00 N ATOM 111 CA PHE A 8 -0.757 -1.272 -13.028 1.00 0.00 C ATOM 112 C PHE A 8 -0.724 0.189 -13.465 1.00 0.00 C ATOM 113 O PHE A 8 -1.360 0.570 -14.448 1.00 0.00 O ATOM 114 CB PHE A 8 -1.800 -1.463 -11.925 1.00 0.00 C ATOM 115 CG PHE A 8 -3.145 -0.886 -12.265 1.00 0.00 C ATOM 116 CD1 PHE A 8 -3.437 0.438 -11.979 1.00 0.00 C ATOM 117 CD2 PHE A 8 -4.116 -1.667 -12.871 1.00 0.00 C ATOM 118 CE1 PHE A 8 -4.674 0.971 -12.290 1.00 0.00 C ATOM 119 CE2 PHE A 8 -5.354 -1.139 -13.184 1.00 0.00 C ATOM 120 CZ PHE A 8 -5.633 0.182 -12.895 1.00 0.00 C ATOM 0 H PHE A 8 0.555 -2.140 -11.641 1.00 0.00 H new ATOM 0 HA PHE A 8 -1.031 -1.884 -13.888 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -1.911 -2.528 -11.722 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -1.436 -1.000 -11.008 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -2.690 1.060 -11.508 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -3.903 -2.700 -13.101 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -4.891 2.004 -12.060 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -6.103 -1.759 -13.654 1.00 0.00 H new ATOM 0 HZ PHE A 8 -6.599 0.598 -13.141 1.00 0.00 H new ATOM 130 N LYS A 9 0.021 1.005 -12.727 1.00 0.00 N ATOM 131 CA LYS A 9 0.139 2.425 -13.036 1.00 0.00 C ATOM 132 C LYS A 9 1.199 2.662 -14.108 1.00 0.00 C ATOM 133 O LYS A 9 1.209 3.703 -14.764 1.00 0.00 O ATOM 134 CB LYS A 9 0.490 3.215 -11.774 1.00 0.00 C ATOM 135 CG LYS A 9 -0.558 3.110 -10.679 1.00 0.00 C ATOM 136 CD LYS A 9 -0.322 4.132 -9.580 1.00 0.00 C ATOM 137 CE LYS A 9 -1.245 3.899 -8.394 1.00 0.00 C ATOM 138 NZ LYS A 9 -1.686 5.179 -7.774 1.00 0.00 N ATOM 0 H LYS A 9 0.553 0.707 -11.909 1.00 0.00 H new ATOM 0 HA LYS A 9 -0.822 2.770 -13.417 1.00 0.00 H new ATOM 0 HB2 LYS A 9 1.445 2.859 -11.387 1.00 0.00 H new ATOM 0 HB3 LYS A 9 0.624 4.264 -12.038 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -1.549 3.258 -11.108 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -0.541 2.107 -10.253 1.00 0.00 H new ATOM 0 HD2 LYS A 9 0.716 4.080 -9.250 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -0.481 5.135 -9.975 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -2.118 3.333 -8.719 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -0.732 3.292 -7.648 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -2.313 4.977 -6.970 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -0.855 5.708 -7.441 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -2.198 5.747 -8.478 1.00 0.00 H new ATOM 152 N ARG A 10 2.087 1.689 -14.280 1.00 0.00 N ATOM 153 CA ARG A 10 3.150 1.792 -15.273 1.00 0.00 C ATOM 154 C ARG A 10 2.578 2.105 -16.652 1.00 0.00 C ATOM 155 O ARG A 10 3.058 3.001 -17.347 1.00 0.00 O ATOM 156 CB ARG A 10 3.956 0.493 -15.325 1.00 0.00 C ATOM 157 CG ARG A 10 5.232 0.600 -16.145 1.00 0.00 C ATOM 158 CD ARG A 10 5.798 -0.772 -16.477 1.00 0.00 C ATOM 159 NE ARG A 10 7.183 -0.697 -16.932 1.00 0.00 N ATOM 160 CZ ARG A 10 7.539 -0.249 -18.131 1.00 0.00 C ATOM 161 NH1 ARG A 10 6.617 0.162 -18.990 1.00 0.00 N ATOM 162 NH2 ARG A 10 8.821 -0.211 -18.472 1.00 0.00 N ATOM 0 H ARG A 10 2.092 0.821 -13.745 1.00 0.00 H new ATOM 0 HA ARG A 10 3.809 2.609 -14.979 1.00 0.00 H new ATOM 0 HB2 ARG A 10 4.211 0.193 -14.309 1.00 0.00 H new ATOM 0 HB3 ARG A 10 3.331 -0.296 -15.743 1.00 0.00 H new ATOM 0 HG2 ARG A 10 5.028 1.144 -17.068 1.00 0.00 H new ATOM 0 HG3 ARG A 10 5.974 1.177 -15.592 1.00 0.00 H new ATOM 0 HD2 ARG A 10 5.740 -1.411 -15.596 1.00 0.00 H new ATOM 0 HD3 ARG A 10 5.187 -1.239 -17.250 1.00 0.00 H new ATOM 0 HE ARG A 10 7.917 -1.005 -16.295 1.00 0.00 H new ATOM 0 HH11 ARG A 10 5.631 0.135 -18.731 1.00 0.00 H new ATOM 0 HH12 ARG A 10 6.894 0.505 -19.910 1.00 0.00 H new ATOM 0 HH21 ARG A 10 9.533 -0.526 -17.813 1.00 0.00 H new ATOM 0 HH22 ARG A 10 9.094 0.133 -19.393 1.00 0.00 H new ATOM 176 N PHE A 11 1.549 1.360 -17.043 1.00 0.00 N ATOM 177 CA PHE A 11 0.912 1.556 -18.340 1.00 0.00 C ATOM 178 C PHE A 11 -0.110 2.687 -18.278 1.00 0.00 C ATOM 179 O PHE A 11 -0.272 3.445 -19.235 1.00 0.00 O ATOM 180 CB PHE A 11 0.232 0.264 -18.798 1.00 0.00 C ATOM 181 CG PHE A 11 1.147 -0.928 -18.797 1.00 0.00 C ATOM 182 CD1 PHE A 11 2.509 -0.772 -18.997 1.00 0.00 C ATOM 183 CD2 PHE A 11 0.645 -2.203 -18.595 1.00 0.00 C ATOM 184 CE1 PHE A 11 3.353 -1.867 -18.997 1.00 0.00 C ATOM 185 CE2 PHE A 11 1.483 -3.302 -18.593 1.00 0.00 C ATOM 186 CZ PHE A 11 2.839 -3.133 -18.793 1.00 0.00 C ATOM 0 H PHE A 11 1.139 0.615 -16.480 1.00 0.00 H new ATOM 0 HA PHE A 11 1.685 1.827 -19.059 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -0.618 0.060 -18.147 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -0.163 0.408 -19.804 1.00 0.00 H new ATOM 0 HD1 PHE A 11 2.916 0.216 -19.155 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -0.415 -2.340 -18.437 1.00 0.00 H new ATOM 0 HE1 PHE A 11 4.413 -1.733 -19.156 1.00 0.00 H new ATOM 0 HE2 PHE A 11 1.078 -4.291 -18.435 1.00 0.00 H new ATOM 0 HZ PHE A 11 3.497 -3.990 -18.790 1.00 0.00 H new ATOM 196 N ASP A 12 -0.797 2.794 -17.146 1.00 0.00 N ATOM 197 CA ASP A 12 -1.804 3.832 -16.958 1.00 0.00 C ATOM 198 C ASP A 12 -1.182 5.220 -17.078 1.00 0.00 C ATOM 199 O ASP A 12 -0.165 5.514 -16.449 1.00 0.00 O ATOM 200 CB ASP A 12 -2.477 3.678 -15.593 1.00 0.00 C ATOM 201 CG ASP A 12 -3.954 4.020 -15.635 1.00 0.00 C ATOM 202 OD1 ASP A 12 -4.408 4.569 -16.661 1.00 0.00 O ATOM 203 OD2 ASP A 12 -4.656 3.737 -14.642 1.00 0.00 O ATOM 0 H ASP A 12 -0.675 2.175 -16.345 1.00 0.00 H new ATOM 0 HA ASP A 12 -2.555 3.721 -17.740 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -2.354 2.653 -15.244 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -1.978 4.323 -14.870 1.00 0.00 H new ATOM 262 N LYS A 18 -8.102 2.258 -15.675 1.00 0.00 N ATOM 263 CA LYS A 18 -7.832 0.989 -16.339 1.00 0.00 C ATOM 264 C LYS A 18 -6.612 1.098 -17.248 1.00 0.00 C ATOM 265 O LYS A 18 -6.135 2.197 -17.532 1.00 0.00 O ATOM 266 CB LYS A 18 -9.050 0.547 -17.154 1.00 0.00 C ATOM 267 CG LYS A 18 -10.232 0.121 -16.300 1.00 0.00 C ATOM 268 CD LYS A 18 -11.297 -0.576 -17.129 1.00 0.00 C ATOM 269 CE LYS A 18 -12.485 0.336 -17.391 1.00 0.00 C ATOM 270 NZ LYS A 18 -13.481 -0.298 -18.299 1.00 0.00 N ATOM 0 HA LYS A 18 -7.625 0.243 -15.571 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -9.358 1.366 -17.804 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -8.762 -0.282 -17.801 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -9.889 -0.548 -15.510 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -10.664 0.995 -15.813 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -10.868 -0.898 -18.078 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -11.634 -1.474 -16.610 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -12.965 0.588 -16.445 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -12.136 1.270 -17.831 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -14.276 0.355 -18.453 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -13.030 -0.516 -19.211 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -13.834 -1.177 -17.868 1.00 0.00 H new ATOM 284 N ILE A 19 -6.113 -0.047 -17.702 1.00 0.00 N ATOM 285 CA ILE A 19 -4.951 -0.078 -18.580 1.00 0.00 C ATOM 286 C ILE A 19 -5.162 -1.048 -19.738 1.00 0.00 C ATOM 287 O ILE A 19 -5.693 -2.143 -19.554 1.00 0.00 O ATOM 288 CB ILE A 19 -3.677 -0.481 -17.814 1.00 0.00 C ATOM 289 CG1 ILE A 19 -3.877 -1.830 -17.122 1.00 0.00 C ATOM 290 CG2 ILE A 19 -3.308 0.592 -16.800 1.00 0.00 C ATOM 291 CD1 ILE A 19 -2.639 -2.336 -16.414 1.00 0.00 C ATOM 0 H ILE A 19 -6.496 -0.965 -17.476 1.00 0.00 H new ATOM 0 HA ILE A 19 -4.826 0.931 -18.972 1.00 0.00 H new ATOM 0 HB ILE A 19 -2.857 -0.578 -18.526 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -4.688 -1.742 -16.399 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -4.189 -2.566 -17.863 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -2.406 0.293 -16.266 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -3.129 1.535 -17.317 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -4.125 0.718 -16.089 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -2.854 -3.297 -15.946 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -1.831 -2.457 -17.136 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -2.339 -1.619 -15.650 1.00 0.00 H new ATOM 303 N SER A 20 -4.741 -0.639 -20.930 1.00 0.00 N ATOM 304 CA SER A 20 -4.886 -1.471 -22.119 1.00 0.00 C ATOM 305 C SER A 20 -4.216 -2.827 -21.918 1.00 0.00 C ATOM 306 O SER A 20 -3.023 -2.905 -21.619 1.00 0.00 O ATOM 307 CB SER A 20 -4.284 -0.767 -23.336 1.00 0.00 C ATOM 308 OG SER A 20 -4.960 -1.137 -24.526 1.00 0.00 O ATOM 0 H SER A 20 -4.297 0.264 -21.098 1.00 0.00 H new ATOM 0 HA SER A 20 -5.950 -1.633 -22.292 1.00 0.00 H new ATOM 0 HB2 SER A 20 -4.343 0.313 -23.201 1.00 0.00 H new ATOM 0 HB3 SER A 20 -3.227 -1.020 -23.421 1.00 0.00 H new ATOM 0 HG SER A 20 -5.926 -1.152 -24.362 1.00 0.00 H new ATOM 314 N LEU A 21 -4.991 -3.893 -22.084 1.00 0.00 N ATOM 315 CA LEU A 21 -4.473 -5.247 -21.921 1.00 0.00 C ATOM 316 C LEU A 21 -3.879 -5.764 -23.228 1.00 0.00 C ATOM 317 O LEU A 21 -3.131 -6.741 -23.237 1.00 0.00 O ATOM 318 CB LEU A 21 -5.585 -6.185 -21.448 1.00 0.00 C ATOM 319 CG LEU A 21 -6.969 -5.944 -22.051 1.00 0.00 C ATOM 320 CD1 LEU A 21 -6.927 -6.098 -23.563 1.00 0.00 C ATOM 321 CD2 LEU A 21 -7.989 -6.896 -21.444 1.00 0.00 C ATOM 0 H LEU A 21 -5.979 -3.846 -22.331 1.00 0.00 H new ATOM 0 HA LEU A 21 -3.684 -5.220 -21.170 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -5.287 -7.210 -21.670 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -5.664 -6.104 -20.364 1.00 0.00 H new ATOM 0 HG LEU A 21 -7.272 -4.923 -21.819 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -7.921 -5.923 -23.974 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -6.228 -5.375 -23.983 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -6.602 -7.107 -23.817 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -8.968 -6.710 -21.885 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -7.691 -7.925 -21.644 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -8.040 -6.736 -20.367 1.00 0.00 H new ATOM 333 N SER A 22 -4.214 -5.099 -24.328 1.00 0.00 N ATOM 334 CA SER A 22 -3.715 -5.491 -25.641 1.00 0.00 C ATOM 335 C SER A 22 -2.308 -4.949 -25.871 1.00 0.00 C ATOM 336 O SER A 22 -1.431 -5.658 -26.363 1.00 0.00 O ATOM 337 CB SER A 22 -4.654 -4.988 -26.739 1.00 0.00 C ATOM 338 OG SER A 22 -5.772 -5.845 -26.886 1.00 0.00 O ATOM 0 H SER A 22 -4.829 -4.286 -24.337 1.00 0.00 H new ATOM 0 HA SER A 22 -3.677 -6.580 -25.677 1.00 0.00 H new ATOM 0 HB2 SER A 22 -4.993 -3.981 -26.498 1.00 0.00 H new ATOM 0 HB3 SER A 22 -4.113 -4.925 -27.683 1.00 0.00 H new ATOM 0 HG SER A 22 -6.357 -5.501 -27.592 1.00 0.00 H new ATOM 344 N GLU A 23 -2.101 -3.686 -25.511 1.00 0.00 N ATOM 345 CA GLU A 23 -0.801 -3.047 -25.679 1.00 0.00 C ATOM 346 C GLU A 23 0.225 -3.640 -24.717 1.00 0.00 C ATOM 347 O GLU A 23 1.427 -3.619 -24.983 1.00 0.00 O ATOM 348 CB GLU A 23 -0.916 -1.538 -25.454 1.00 0.00 C ATOM 349 CG GLU A 23 -1.900 -0.856 -26.389 1.00 0.00 C ATOM 350 CD GLU A 23 -1.862 0.655 -26.274 1.00 0.00 C ATOM 351 OE1 GLU A 23 -0.829 1.253 -26.640 1.00 0.00 O ATOM 352 OE2 GLU A 23 -2.867 1.240 -25.819 1.00 0.00 O ATOM 0 H GLU A 23 -2.817 -3.085 -25.101 1.00 0.00 H new ATOM 0 HA GLU A 23 -0.464 -3.229 -26.700 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -1.221 -1.355 -24.424 1.00 0.00 H new ATOM 0 HB3 GLU A 23 0.067 -1.084 -25.581 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -1.678 -1.144 -27.417 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -2.908 -1.208 -26.169 1.00 0.00 H new ATOM 359 N LEU A 24 -0.259 -4.167 -23.598 1.00 0.00 N ATOM 360 CA LEU A 24 0.615 -4.765 -22.594 1.00 0.00 C ATOM 361 C LEU A 24 1.361 -5.966 -23.168 1.00 0.00 C ATOM 362 O LEU A 24 2.590 -5.972 -23.237 1.00 0.00 O ATOM 363 CB LEU A 24 -0.198 -5.192 -21.371 1.00 0.00 C ATOM 364 CG LEU A 24 0.477 -6.192 -20.432 1.00 0.00 C ATOM 365 CD1 LEU A 24 0.211 -7.618 -20.889 1.00 0.00 C ATOM 366 CD2 LEU A 24 1.973 -5.925 -20.355 1.00 0.00 C ATOM 0 H LEU A 24 -1.251 -4.193 -23.363 1.00 0.00 H new ATOM 0 HA LEU A 24 1.347 -4.016 -22.292 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -0.451 -4.300 -20.798 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -1.137 -5.625 -21.717 1.00 0.00 H new ATOM 0 HG LEU A 24 0.054 -6.067 -19.435 1.00 0.00 H new ATOM 0 HD11 LEU A 24 0.699 -8.315 -20.208 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -0.863 -7.805 -20.891 1.00 0.00 H new ATOM 0 HD13 LEU A 24 0.606 -7.757 -21.896 1.00 0.00 H new ATOM 0 HD21 LEU A 24 2.437 -6.646 -19.682 1.00 0.00 H new ATOM 0 HD22 LEU A 24 2.411 -6.021 -21.348 1.00 0.00 H new ATOM 0 HD23 LEU A 24 2.144 -4.916 -19.979 1.00 0.00 H new ATOM 378 N THR A 25 0.608 -6.981 -23.580 1.00 0.00 N ATOM 379 CA THR A 25 1.197 -8.187 -24.149 1.00 0.00 C ATOM 380 C THR A 25 2.139 -7.849 -25.299 1.00 0.00 C ATOM 381 O THR A 25 3.163 -8.506 -25.489 1.00 0.00 O ATOM 382 CB THR A 25 0.113 -9.157 -24.655 1.00 0.00 C ATOM 383 OG1 THR A 25 0.710 -10.184 -25.455 1.00 0.00 O ATOM 384 CG2 THR A 25 -0.936 -8.417 -25.472 1.00 0.00 C ATOM 0 H THR A 25 -0.411 -6.992 -23.530 1.00 0.00 H new ATOM 0 HA THR A 25 1.761 -8.670 -23.351 1.00 0.00 H new ATOM 0 HB THR A 25 -0.374 -9.607 -23.790 1.00 0.00 H new ATOM 0 HG1 THR A 25 0.602 -9.964 -26.404 1.00 0.00 H new ATOM 0 HG21 THR A 25 -1.691 -9.122 -25.819 1.00 0.00 H new ATOM 0 HG22 THR A 25 -1.409 -7.655 -24.852 1.00 0.00 H new ATOM 0 HG23 THR A 25 -0.461 -7.943 -26.331 1.00 0.00 H new ATOM 392 N ASP A 26 1.786 -6.822 -26.064 1.00 0.00 N ATOM 393 CA ASP A 26 2.601 -6.396 -27.195 1.00 0.00 C ATOM 394 C ASP A 26 3.777 -5.545 -26.728 1.00 0.00 C ATOM 395 O ASP A 26 4.769 -5.394 -27.441 1.00 0.00 O ATOM 396 CB ASP A 26 1.752 -5.609 -28.195 1.00 0.00 C ATOM 397 CG ASP A 26 2.299 -5.686 -29.607 1.00 0.00 C ATOM 398 OD1 ASP A 26 3.413 -6.223 -29.782 1.00 0.00 O ATOM 399 OD2 ASP A 26 1.614 -5.210 -30.536 1.00 0.00 O ATOM 0 H ASP A 26 0.941 -6.269 -25.921 1.00 0.00 H new ATOM 0 HA ASP A 26 2.993 -7.288 -27.685 1.00 0.00 H new ATOM 0 HB2 ASP A 26 0.732 -5.993 -28.182 1.00 0.00 H new ATOM 0 HB3 ASP A 26 1.704 -4.565 -27.884 1.00 0.00 H new ATOM 404 N ALA A 27 3.659 -4.990 -25.526 1.00 0.00 N ATOM 405 CA ALA A 27 4.713 -4.154 -24.963 1.00 0.00 C ATOM 406 C ALA A 27 5.743 -4.998 -24.219 1.00 0.00 C ATOM 407 O ALA A 27 6.927 -4.662 -24.185 1.00 0.00 O ATOM 408 CB ALA A 27 4.116 -3.106 -24.035 1.00 0.00 C ATOM 0 H ALA A 27 2.844 -5.104 -24.923 1.00 0.00 H new ATOM 0 HA ALA A 27 5.221 -3.648 -25.784 1.00 0.00 H new ATOM 0 HB1 ALA A 27 4.914 -2.489 -23.622 1.00 0.00 H new ATOM 0 HB2 ALA A 27 3.423 -2.477 -24.594 1.00 0.00 H new ATOM 0 HB3 ALA A 27 3.582 -3.600 -23.223 1.00 0.00 H new ATOM 414 N LEU A 28 5.285 -6.093 -23.624 1.00 0.00 N ATOM 415 CA LEU A 28 6.167 -6.985 -22.879 1.00 0.00 C ATOM 416 C LEU A 28 7.379 -7.377 -23.718 1.00 0.00 C ATOM 417 O LEU A 28 8.434 -7.717 -23.182 1.00 0.00 O ATOM 418 CB LEU A 28 5.407 -8.239 -22.444 1.00 0.00 C ATOM 419 CG LEU A 28 4.800 -8.203 -21.041 1.00 0.00 C ATOM 420 CD1 LEU A 28 3.916 -9.419 -20.810 1.00 0.00 C ATOM 421 CD2 LEU A 28 5.895 -8.128 -19.987 1.00 0.00 C ATOM 0 H LEU A 28 4.308 -6.385 -23.643 1.00 0.00 H new ATOM 0 HA LEU A 28 6.517 -6.454 -21.994 1.00 0.00 H new ATOM 0 HB2 LEU A 28 4.606 -8.421 -23.160 1.00 0.00 H new ATOM 0 HB3 LEU A 28 6.086 -9.090 -22.503 1.00 0.00 H new ATOM 0 HG LEU A 28 4.182 -7.309 -20.957 1.00 0.00 H new ATOM 0 HD11 LEU A 28 3.493 -9.376 -19.806 1.00 0.00 H new ATOM 0 HD12 LEU A 28 3.110 -9.427 -21.544 1.00 0.00 H new ATOM 0 HD13 LEU A 28 4.511 -10.326 -20.914 1.00 0.00 H new ATOM 0 HD21 LEU A 28 5.444 -8.103 -18.995 1.00 0.00 H new ATOM 0 HD22 LEU A 28 6.541 -9.002 -20.070 1.00 0.00 H new ATOM 0 HD23 LEU A 28 6.486 -7.225 -20.140 1.00 0.00 H new ATOM 433 N ARG A 29 7.222 -7.325 -25.037 1.00 0.00 N ATOM 434 CA ARG A 29 8.304 -7.673 -25.950 1.00 0.00 C ATOM 435 C ARG A 29 9.518 -6.778 -25.721 1.00 0.00 C ATOM 436 O ARG A 29 10.661 -7.210 -25.877 1.00 0.00 O ATOM 437 CB ARG A 29 7.834 -7.553 -27.401 1.00 0.00 C ATOM 438 CG ARG A 29 7.645 -6.117 -27.862 1.00 0.00 C ATOM 439 CD ARG A 29 6.981 -6.054 -29.229 1.00 0.00 C ATOM 440 NE ARG A 29 7.941 -5.766 -30.291 1.00 0.00 N ATOM 441 CZ ARG A 29 7.598 -5.582 -31.561 1.00 0.00 C ATOM 442 NH1 ARG A 29 6.325 -5.655 -31.925 1.00 0.00 N ATOM 443 NH2 ARG A 29 8.529 -5.324 -32.470 1.00 0.00 N ATOM 0 H ARG A 29 6.356 -7.045 -25.497 1.00 0.00 H new ATOM 0 HA ARG A 29 8.594 -8.705 -25.754 1.00 0.00 H new ATOM 0 HB2 ARG A 29 8.560 -8.042 -28.051 1.00 0.00 H new ATOM 0 HB3 ARG A 29 6.892 -8.089 -27.515 1.00 0.00 H new ATOM 0 HG2 ARG A 29 7.037 -5.577 -27.136 1.00 0.00 H new ATOM 0 HG3 ARG A 29 8.612 -5.616 -27.903 1.00 0.00 H new ATOM 0 HD2 ARG A 29 6.486 -7.003 -29.436 1.00 0.00 H new ATOM 0 HD3 ARG A 29 6.208 -5.286 -29.221 1.00 0.00 H new ATOM 0 HE ARG A 29 8.929 -5.703 -30.044 1.00 0.00 H new ATOM 0 HH11 ARG A 29 5.606 -5.853 -31.229 1.00 0.00 H new ATOM 0 HH12 ARG A 29 6.065 -5.513 -32.901 1.00 0.00 H new ATOM 0 HH21 ARG A 29 9.509 -5.267 -32.194 1.00 0.00 H new ATOM 0 HH22 ARG A 29 8.265 -5.183 -33.445 1.00 0.00 H new ATOM 457 N THR A 30 9.263 -5.527 -25.350 1.00 0.00 N ATOM 458 CA THR A 30 10.334 -4.570 -25.101 1.00 0.00 C ATOM 459 C THR A 30 10.973 -4.802 -23.737 1.00 0.00 C ATOM 460 O THR A 30 12.139 -4.471 -23.521 1.00 0.00 O ATOM 461 CB THR A 30 9.819 -3.120 -25.174 1.00 0.00 C ATOM 462 OG1 THR A 30 10.893 -2.236 -25.514 1.00 0.00 O ATOM 463 CG2 THR A 30 9.206 -2.696 -23.848 1.00 0.00 C ATOM 0 H THR A 30 8.324 -5.153 -25.215 1.00 0.00 H new ATOM 0 HA THR A 30 11.081 -4.722 -25.880 1.00 0.00 H new ATOM 0 HB THR A 30 9.049 -3.069 -25.944 1.00 0.00 H new ATOM 0 HG1 THR A 30 10.558 -1.316 -25.560 1.00 0.00 H new ATOM 0 HG21 THR A 30 8.849 -1.669 -23.924 1.00 0.00 H new ATOM 0 HG22 THR A 30 8.371 -3.353 -23.607 1.00 0.00 H new ATOM 0 HG23 THR A 30 9.958 -2.762 -23.062 1.00 0.00 H new ATOM 471 N LEU A 31 10.203 -5.375 -22.818 1.00 0.00 N ATOM 472 CA LEU A 31 10.694 -5.653 -21.473 1.00 0.00 C ATOM 473 C LEU A 31 11.608 -6.874 -21.469 1.00 0.00 C ATOM 474 O LEU A 31 12.196 -7.219 -20.444 1.00 0.00 O ATOM 475 CB LEU A 31 9.522 -5.875 -20.516 1.00 0.00 C ATOM 476 CG LEU A 31 9.103 -4.668 -19.676 1.00 0.00 C ATOM 477 CD1 LEU A 31 10.257 -4.197 -18.805 1.00 0.00 C ATOM 478 CD2 LEU A 31 8.613 -3.539 -20.572 1.00 0.00 C ATOM 0 H LEU A 31 9.236 -5.656 -22.980 1.00 0.00 H new ATOM 0 HA LEU A 31 11.270 -4.790 -21.137 1.00 0.00 H new ATOM 0 HB2 LEU A 31 8.661 -6.204 -21.098 1.00 0.00 H new ATOM 0 HB3 LEU A 31 9.780 -6.690 -19.840 1.00 0.00 H new ATOM 0 HG LEU A 31 8.283 -4.970 -19.024 1.00 0.00 H new ATOM 0 HD11 LEU A 31 9.940 -3.337 -18.215 1.00 0.00 H new ATOM 0 HD12 LEU A 31 10.562 -5.003 -18.138 1.00 0.00 H new ATOM 0 HD13 LEU A 31 11.098 -3.912 -19.438 1.00 0.00 H new ATOM 0 HD21 LEU A 31 8.319 -2.688 -19.957 1.00 0.00 H new ATOM 0 HD22 LEU A 31 9.413 -3.238 -21.249 1.00 0.00 H new ATOM 0 HD23 LEU A 31 7.756 -3.881 -21.152 1.00 0.00 H new ATOM 490 N GLY A 32 11.723 -7.525 -22.622 1.00 0.00 N ATOM 491 CA GLY A 32 12.568 -8.700 -22.730 1.00 0.00 C ATOM 492 C GLY A 32 11.820 -9.982 -22.425 1.00 0.00 C ATOM 493 O GLY A 32 12.424 -11.049 -22.309 1.00 0.00 O ATOM 0 H GLY A 32 11.246 -7.260 -23.484 1.00 0.00 H new ATOM 0 HA2 GLY A 32 12.981 -8.755 -23.737 1.00 0.00 H new ATOM 0 HA3 GLY A 32 13.410 -8.602 -22.045 1.00 0.00 H new ATOM 497 N SER A 33 10.501 -9.879 -22.293 1.00 0.00 N ATOM 498 CA SER A 33 9.670 -11.039 -21.994 1.00 0.00 C ATOM 499 C SER A 33 9.569 -11.962 -23.204 1.00 0.00 C ATOM 500 O SER A 33 9.284 -11.518 -24.317 1.00 0.00 O ATOM 501 CB SER A 33 8.272 -10.593 -21.561 1.00 0.00 C ATOM 502 OG SER A 33 8.009 -10.970 -20.220 1.00 0.00 O ATOM 0 H SER A 33 9.985 -9.004 -22.388 1.00 0.00 H new ATOM 0 HA SER A 33 10.138 -11.589 -21.178 1.00 0.00 H new ATOM 0 HB2 SER A 33 8.184 -9.511 -21.662 1.00 0.00 H new ATOM 0 HB3 SER A 33 7.525 -11.036 -22.220 1.00 0.00 H new ATOM 0 HG SER A 33 7.048 -11.125 -20.106 1.00 0.00 H new ATOM 508 N THR A 34 9.806 -13.251 -22.980 1.00 0.00 N ATOM 509 CA THR A 34 9.744 -14.238 -24.050 1.00 0.00 C ATOM 510 C THR A 34 8.431 -15.011 -24.009 1.00 0.00 C ATOM 511 O THR A 34 8.340 -16.126 -24.523 1.00 0.00 O ATOM 512 CB THR A 34 10.916 -15.233 -23.966 1.00 0.00 C ATOM 513 OG1 THR A 34 10.935 -16.067 -25.129 1.00 0.00 O ATOM 514 CG2 THR A 34 10.804 -16.097 -22.718 1.00 0.00 C ATOM 0 H THR A 34 10.043 -13.636 -22.066 1.00 0.00 H new ATOM 0 HA THR A 34 9.810 -13.690 -24.990 1.00 0.00 H new ATOM 0 HB THR A 34 11.844 -14.664 -23.913 1.00 0.00 H new ATOM 0 HG1 THR A 34 10.032 -16.406 -25.303 1.00 0.00 H new ATOM 0 HG21 THR A 34 11.643 -16.792 -22.680 1.00 0.00 H new ATOM 0 HG22 THR A 34 10.819 -15.461 -21.833 1.00 0.00 H new ATOM 0 HG23 THR A 34 9.869 -16.657 -22.746 1.00 0.00 H new ATOM 522 N SER A 35 7.415 -14.413 -23.396 1.00 0.00 N ATOM 523 CA SER A 35 6.107 -15.048 -23.285 1.00 0.00 C ATOM 524 C SER A 35 5.001 -14.094 -23.726 1.00 0.00 C ATOM 525 O SER A 35 3.834 -14.277 -23.382 1.00 0.00 O ATOM 526 CB SER A 35 5.858 -15.504 -21.846 1.00 0.00 C ATOM 527 OG SER A 35 6.733 -16.560 -21.488 1.00 0.00 O ATOM 0 H SER A 35 7.472 -13.489 -22.968 1.00 0.00 H new ATOM 0 HA SER A 35 6.096 -15.918 -23.941 1.00 0.00 H new ATOM 0 HB2 SER A 35 5.999 -14.664 -21.165 1.00 0.00 H new ATOM 0 HB3 SER A 35 4.824 -15.832 -21.739 1.00 0.00 H new ATOM 0 HG SER A 35 6.556 -16.833 -20.564 1.00 0.00 H new ATOM 533 N ALA A 36 5.378 -13.074 -24.491 1.00 0.00 N ATOM 534 CA ALA A 36 4.419 -12.092 -24.982 1.00 0.00 C ATOM 535 C ALA A 36 3.256 -12.770 -25.697 1.00 0.00 C ATOM 536 O ALA A 36 2.153 -12.228 -25.761 1.00 0.00 O ATOM 537 CB ALA A 36 5.107 -11.101 -25.910 1.00 0.00 C ATOM 0 H ALA A 36 6.341 -12.907 -24.784 1.00 0.00 H new ATOM 0 HA ALA A 36 4.018 -11.552 -24.124 1.00 0.00 H new ATOM 0 HB1 ALA A 36 4.379 -10.373 -26.269 1.00 0.00 H new ATOM 0 HB2 ALA A 36 5.899 -10.585 -25.368 1.00 0.00 H new ATOM 0 HB3 ALA A 36 5.536 -11.634 -26.758 1.00 0.00 H new ATOM 543 N ASP A 37 3.510 -13.958 -26.235 1.00 0.00 N ATOM 544 CA ASP A 37 2.483 -14.711 -26.946 1.00 0.00 C ATOM 545 C ASP A 37 1.601 -15.482 -25.970 1.00 0.00 C ATOM 546 O ASP A 37 0.418 -15.703 -26.229 1.00 0.00 O ATOM 547 CB ASP A 37 3.127 -15.676 -27.943 1.00 0.00 C ATOM 548 CG ASP A 37 4.372 -15.098 -28.588 1.00 0.00 C ATOM 549 OD1 ASP A 37 4.234 -14.342 -29.572 1.00 0.00 O ATOM 550 OD2 ASP A 37 5.483 -15.402 -28.108 1.00 0.00 O ATOM 0 H ASP A 37 4.418 -14.420 -26.192 1.00 0.00 H new ATOM 0 HA ASP A 37 1.858 -14.002 -27.490 1.00 0.00 H new ATOM 0 HB2 ASP A 37 3.384 -16.604 -27.432 1.00 0.00 H new ATOM 0 HB3 ASP A 37 2.404 -15.929 -28.718 1.00 0.00 H new ATOM 555 N GLU A 38 2.184 -15.889 -24.847 1.00 0.00 N ATOM 556 CA GLU A 38 1.450 -16.638 -23.833 1.00 0.00 C ATOM 557 C GLU A 38 0.662 -15.696 -22.927 1.00 0.00 C ATOM 558 O GLU A 38 -0.395 -16.056 -22.409 1.00 0.00 O ATOM 559 CB GLU A 38 2.412 -17.484 -22.996 1.00 0.00 C ATOM 560 CG GLU A 38 1.712 -18.464 -22.070 1.00 0.00 C ATOM 561 CD GLU A 38 1.306 -19.744 -22.774 1.00 0.00 C ATOM 562 OE1 GLU A 38 1.521 -19.841 -24.000 1.00 0.00 O ATOM 563 OE2 GLU A 38 0.774 -20.649 -22.098 1.00 0.00 O ATOM 0 H GLU A 38 3.162 -15.713 -24.616 1.00 0.00 H new ATOM 0 HA GLU A 38 0.747 -17.298 -24.342 1.00 0.00 H new ATOM 0 HB2 GLU A 38 3.072 -18.037 -23.664 1.00 0.00 H new ATOM 0 HB3 GLU A 38 3.042 -16.822 -22.402 1.00 0.00 H new ATOM 0 HG2 GLU A 38 2.372 -18.706 -21.237 1.00 0.00 H new ATOM 0 HG3 GLU A 38 0.826 -17.990 -21.648 1.00 0.00 H new ATOM 570 N VAL A 39 1.186 -14.489 -22.739 1.00 0.00 N ATOM 571 CA VAL A 39 0.532 -13.495 -21.896 1.00 0.00 C ATOM 572 C VAL A 39 -0.712 -12.931 -22.574 1.00 0.00 C ATOM 573 O VAL A 39 -1.698 -12.608 -21.913 1.00 0.00 O ATOM 574 CB VAL A 39 1.486 -12.336 -21.553 1.00 0.00 C ATOM 575 CG1 VAL A 39 1.841 -11.547 -22.804 1.00 0.00 C ATOM 576 CG2 VAL A 39 0.866 -11.430 -20.500 1.00 0.00 C ATOM 0 H VAL A 39 2.061 -14.176 -23.159 1.00 0.00 H new ATOM 0 HA VAL A 39 0.242 -14.002 -20.976 1.00 0.00 H new ATOM 0 HB VAL A 39 2.405 -12.755 -21.144 1.00 0.00 H new ATOM 0 HG11 VAL A 39 2.516 -10.732 -22.541 1.00 0.00 H new ATOM 0 HG12 VAL A 39 2.329 -12.205 -23.523 1.00 0.00 H new ATOM 0 HG13 VAL A 39 0.933 -11.137 -23.246 1.00 0.00 H new ATOM 0 HG21 VAL A 39 1.554 -10.616 -20.270 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -0.069 -11.018 -20.879 1.00 0.00 H new ATOM 0 HG23 VAL A 39 0.669 -12.005 -19.596 1.00 0.00 H new ATOM 586 N GLN A 40 -0.657 -12.817 -23.897 1.00 0.00 N ATOM 587 CA GLN A 40 -1.780 -12.292 -24.665 1.00 0.00 C ATOM 588 C GLN A 40 -3.044 -13.105 -24.406 1.00 0.00 C ATOM 589 O GLN A 40 -4.133 -12.550 -24.265 1.00 0.00 O ATOM 590 CB GLN A 40 -1.451 -12.299 -26.159 1.00 0.00 C ATOM 591 CG GLN A 40 -2.674 -12.449 -27.050 1.00 0.00 C ATOM 592 CD GLN A 40 -2.323 -12.466 -28.524 1.00 0.00 C ATOM 593 OE1 GLN A 40 -1.273 -13.200 -28.875 1.00 0.00 O flip ATOM 594 NE2 GLN A 40 -2.987 -11.827 -29.340 1.00 0.00 N flip ATOM 0 H GLN A 40 0.152 -13.081 -24.459 1.00 0.00 H new ATOM 0 HA GLN A 40 -1.959 -11.266 -24.345 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -0.937 -11.372 -26.414 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -0.758 -13.115 -26.366 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -3.195 -13.372 -26.794 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -3.364 -11.629 -26.854 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -3.786 -11.276 -29.027 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -2.738 -11.849 -30.329 1.00 0.00 H new ATOM 603 N ARG A 41 -2.891 -14.424 -24.346 1.00 0.00 N ATOM 604 CA ARG A 41 -4.020 -15.314 -24.106 1.00 0.00 C ATOM 605 C ARG A 41 -4.370 -15.361 -22.621 1.00 0.00 C ATOM 606 O ARG A 41 -5.484 -15.726 -22.247 1.00 0.00 O ATOM 607 CB ARG A 41 -3.703 -16.723 -24.610 1.00 0.00 C ATOM 608 CG ARG A 41 -2.426 -17.305 -24.027 1.00 0.00 C ATOM 609 CD ARG A 41 -2.133 -18.686 -24.594 1.00 0.00 C ATOM 610 NE ARG A 41 -2.948 -19.720 -23.963 1.00 0.00 N ATOM 611 CZ ARG A 41 -2.934 -20.995 -24.335 1.00 0.00 C ATOM 612 NH1 ARG A 41 -2.152 -21.391 -25.330 1.00 0.00 N ATOM 613 NH2 ARG A 41 -3.704 -21.878 -23.711 1.00 0.00 N ATOM 0 H ARG A 41 -1.996 -14.900 -24.460 1.00 0.00 H new ATOM 0 HA ARG A 41 -4.879 -14.924 -24.652 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -4.536 -17.382 -24.368 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -3.619 -16.701 -25.697 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -1.591 -16.638 -24.240 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -2.515 -17.367 -22.942 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -2.318 -18.684 -25.668 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -1.078 -18.920 -24.453 1.00 0.00 H new ATOM 0 HE ARG A 41 -3.562 -19.449 -23.195 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -1.559 -20.716 -25.812 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -2.144 -22.371 -25.613 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -4.307 -21.578 -22.945 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -3.693 -22.857 -23.997 1.00 0.00 H new ATOM 627 N MET A 42 -3.411 -14.988 -21.780 1.00 0.00 N ATOM 628 CA MET A 42 -3.618 -14.987 -20.337 1.00 0.00 C ATOM 629 C MET A 42 -4.422 -13.765 -19.904 1.00 0.00 C ATOM 630 O MET A 42 -5.416 -13.886 -19.188 1.00 0.00 O ATOM 631 CB MET A 42 -2.274 -15.012 -19.607 1.00 0.00 C ATOM 632 CG MET A 42 -1.524 -16.325 -19.759 1.00 0.00 C ATOM 633 SD MET A 42 -1.995 -17.542 -18.514 1.00 0.00 S ATOM 634 CE MET A 42 -2.605 -18.869 -19.551 1.00 0.00 C ATOM 0 H MET A 42 -2.483 -14.683 -22.073 1.00 0.00 H new ATOM 0 HA MET A 42 -4.182 -15.883 -20.076 1.00 0.00 H new ATOM 0 HB2 MET A 42 -1.650 -14.201 -19.983 1.00 0.00 H new ATOM 0 HB3 MET A 42 -2.442 -14.820 -18.547 1.00 0.00 H new ATOM 0 HG2 MET A 42 -1.713 -16.734 -20.751 1.00 0.00 H new ATOM 0 HG3 MET A 42 -0.453 -16.137 -19.691 1.00 0.00 H new ATOM 0 HE1 MET A 42 -2.935 -19.698 -18.925 1.00 0.00 H new ATOM 0 HE2 MET A 42 -3.443 -18.509 -20.147 1.00 0.00 H new ATOM 0 HE3 MET A 42 -1.809 -19.209 -20.213 1.00 0.00 H new ATOM 644 N MET A 43 -3.986 -12.589 -20.343 1.00 0.00 N ATOM 645 CA MET A 43 -4.666 -11.346 -20.001 1.00 0.00 C ATOM 646 C MET A 43 -6.138 -11.405 -20.397 1.00 0.00 C ATOM 647 O MET A 43 -6.971 -10.696 -19.834 1.00 0.00 O ATOM 648 CB MET A 43 -3.988 -10.161 -20.692 1.00 0.00 C ATOM 649 CG MET A 43 -3.789 -10.361 -22.186 1.00 0.00 C ATOM 650 SD MET A 43 -5.141 -9.676 -23.164 1.00 0.00 S ATOM 651 CE MET A 43 -4.316 -9.391 -24.728 1.00 0.00 C ATOM 0 H MET A 43 -3.165 -12.471 -20.936 1.00 0.00 H new ATOM 0 HA MET A 43 -4.603 -11.212 -18.921 1.00 0.00 H new ATOM 0 HB2 MET A 43 -4.588 -9.265 -20.530 1.00 0.00 H new ATOM 0 HB3 MET A 43 -3.019 -9.985 -20.225 1.00 0.00 H new ATOM 0 HG2 MET A 43 -2.853 -9.893 -22.490 1.00 0.00 H new ATOM 0 HG3 MET A 43 -3.696 -11.426 -22.397 1.00 0.00 H new ATOM 0 HE1 MET A 43 -5.036 -9.017 -25.456 1.00 0.00 H new ATOM 0 HE2 MET A 43 -3.522 -8.656 -24.592 1.00 0.00 H new ATOM 0 HE3 MET A 43 -3.887 -10.326 -25.089 1.00 0.00 H new ATOM 661 N ALA A 44 -6.451 -12.255 -21.370 1.00 0.00 N ATOM 662 CA ALA A 44 -7.822 -12.407 -21.840 1.00 0.00 C ATOM 663 C ALA A 44 -8.697 -13.063 -20.776 1.00 0.00 C ATOM 664 O ALA A 44 -9.921 -12.936 -20.802 1.00 0.00 O ATOM 665 CB ALA A 44 -7.853 -13.220 -23.125 1.00 0.00 C ATOM 0 H ALA A 44 -5.773 -12.849 -21.848 1.00 0.00 H new ATOM 0 HA ALA A 44 -8.223 -11.414 -22.042 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -8.884 -13.325 -23.464 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -7.269 -12.711 -23.892 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -7.429 -14.207 -22.941 1.00 0.00 H new ATOM 671 N GLU A 45 -8.061 -13.764 -19.843 1.00 0.00 N ATOM 672 CA GLU A 45 -8.783 -14.440 -18.771 1.00 0.00 C ATOM 673 C GLU A 45 -9.320 -13.434 -17.758 1.00 0.00 C ATOM 674 O GLU A 45 -10.481 -13.505 -17.353 1.00 0.00 O ATOM 675 CB GLU A 45 -7.871 -15.449 -18.070 1.00 0.00 C ATOM 676 CG GLU A 45 -7.396 -16.572 -18.977 1.00 0.00 C ATOM 677 CD GLU A 45 -6.684 -17.674 -18.216 1.00 0.00 C ATOM 678 OE1 GLU A 45 -6.737 -17.663 -16.969 1.00 0.00 O ATOM 679 OE2 GLU A 45 -6.074 -18.547 -18.868 1.00 0.00 O ATOM 0 H GLU A 45 -7.048 -13.879 -19.807 1.00 0.00 H new ATOM 0 HA GLU A 45 -9.627 -14.969 -19.213 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -7.003 -14.925 -17.670 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -8.403 -15.879 -17.221 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -8.251 -16.994 -19.505 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -6.724 -16.165 -19.732 1.00 0.00 H new ATOM 686 N ILE A 46 -8.468 -12.498 -17.353 1.00 0.00 N ATOM 687 CA ILE A 46 -8.857 -11.478 -16.387 1.00 0.00 C ATOM 688 C ILE A 46 -9.880 -10.518 -16.985 1.00 0.00 C ATOM 689 O ILE A 46 -10.722 -9.971 -16.273 1.00 0.00 O ATOM 690 CB ILE A 46 -7.639 -10.673 -15.898 1.00 0.00 C ATOM 691 CG1 ILE A 46 -6.889 -10.068 -17.086 1.00 0.00 C ATOM 692 CG2 ILE A 46 -6.715 -11.558 -15.075 1.00 0.00 C ATOM 693 CD1 ILE A 46 -5.821 -9.075 -16.685 1.00 0.00 C ATOM 0 H ILE A 46 -7.504 -12.425 -17.679 1.00 0.00 H new ATOM 0 HA ILE A 46 -9.302 -11.999 -15.539 1.00 0.00 H new ATOM 0 HB ILE A 46 -7.991 -9.860 -15.263 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -6.429 -10.871 -17.662 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -7.604 -9.574 -17.743 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -5.859 -10.975 -14.737 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -7.256 -11.944 -14.211 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -6.368 -12.390 -15.687 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -5.331 -8.687 -17.578 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -6.277 -8.252 -16.135 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -5.084 -9.569 -16.052 1.00 0.00 H new ATOM 705 N ASP A 47 -9.802 -10.319 -18.296 1.00 0.00 N ATOM 706 CA ASP A 47 -10.723 -9.426 -18.990 1.00 0.00 C ATOM 707 C ASP A 47 -12.092 -10.079 -19.158 1.00 0.00 C ATOM 708 O ASP A 47 -12.248 -11.036 -19.917 1.00 0.00 O ATOM 709 CB ASP A 47 -10.158 -9.041 -20.359 1.00 0.00 C ATOM 710 CG ASP A 47 -10.869 -7.846 -20.961 1.00 0.00 C ATOM 711 OD1 ASP A 47 -11.585 -7.100 -20.128 1.00 0.00 O ATOM 712 OD2 ASP A 47 -10.776 -7.596 -22.163 1.00 0.00 O ATOM 0 H ASP A 47 -9.111 -10.764 -18.900 1.00 0.00 H new ATOM 0 HA ASP A 47 -10.841 -8.526 -18.386 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -9.096 -8.817 -20.261 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -10.243 -9.891 -21.036 1.00 0.00 H new ATOM 717 N THR A 48 -13.083 -9.554 -18.444 1.00 0.00 N ATOM 718 CA THR A 48 -14.438 -10.084 -18.512 1.00 0.00 C ATOM 719 C THR A 48 -15.284 -9.305 -19.514 1.00 0.00 C ATOM 720 O THR A 48 -16.340 -9.771 -19.943 1.00 0.00 O ATOM 721 CB THR A 48 -15.127 -10.045 -17.135 1.00 0.00 C ATOM 722 OG1 THR A 48 -16.334 -10.815 -17.169 1.00 0.00 O ATOM 723 CG2 THR A 48 -15.445 -8.613 -16.730 1.00 0.00 C ATOM 0 H THR A 48 -12.972 -8.761 -17.812 1.00 0.00 H new ATOM 0 HA THR A 48 -14.355 -11.121 -18.839 1.00 0.00 H new ATOM 0 HB THR A 48 -14.445 -10.472 -16.400 1.00 0.00 H new ATOM 0 HG1 THR A 48 -16.666 -10.862 -18.090 1.00 0.00 H new ATOM 0 HG21 THR A 48 -15.931 -8.610 -15.754 1.00 0.00 H new ATOM 0 HG22 THR A 48 -14.522 -8.036 -16.677 1.00 0.00 H new ATOM 0 HG23 THR A 48 -16.110 -8.165 -17.468 1.00 0.00 H new ATOM 731 N ASP A 49 -14.813 -8.119 -19.881 1.00 0.00 N ATOM 732 CA ASP A 49 -15.526 -7.276 -20.834 1.00 0.00 C ATOM 733 C ASP A 49 -14.888 -7.359 -22.217 1.00 0.00 C ATOM 734 O ASP A 49 -15.326 -6.695 -23.155 1.00 0.00 O ATOM 735 CB ASP A 49 -15.540 -5.824 -20.352 1.00 0.00 C ATOM 736 CG ASP A 49 -14.932 -5.666 -18.972 1.00 0.00 C ATOM 737 OD1 ASP A 49 -15.675 -5.806 -17.978 1.00 0.00 O ATOM 738 OD2 ASP A 49 -13.715 -5.402 -18.886 1.00 0.00 O ATOM 0 H ASP A 49 -13.941 -7.719 -19.534 1.00 0.00 H new ATOM 0 HA ASP A 49 -16.552 -7.638 -20.905 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -14.991 -5.204 -21.061 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -16.567 -5.459 -20.337 1.00 0.00 H new ATOM 743 N GLY A 50 -13.849 -8.181 -22.335 1.00 0.00 N ATOM 744 CA GLY A 50 -13.167 -8.335 -23.607 1.00 0.00 C ATOM 745 C GLY A 50 -12.833 -7.005 -24.252 1.00 0.00 C ATOM 746 O GLY A 50 -12.823 -6.886 -25.477 1.00 0.00 O ATOM 0 H GLY A 50 -13.468 -8.742 -21.573 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -12.249 -8.903 -23.457 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -13.794 -8.916 -24.284 1.00 0.00 H new ATOM 750 N ASP A 51 -12.563 -6.000 -23.426 1.00 0.00 N ATOM 751 CA ASP A 51 -12.228 -4.670 -23.922 1.00 0.00 C ATOM 752 C ASP A 51 -10.729 -4.411 -23.814 1.00 0.00 C ATOM 753 O ASP A 51 -10.001 -5.174 -23.181 1.00 0.00 O ATOM 754 CB ASP A 51 -13.000 -3.603 -23.145 1.00 0.00 C ATOM 755 CG ASP A 51 -12.423 -3.362 -21.764 1.00 0.00 C ATOM 756 OD1 ASP A 51 -12.178 -4.351 -21.042 1.00 0.00 O ATOM 757 OD2 ASP A 51 -12.216 -2.184 -21.406 1.00 0.00 O ATOM 0 H ASP A 51 -12.570 -6.081 -22.409 1.00 0.00 H new ATOM 0 HA ASP A 51 -12.512 -4.619 -24.973 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -12.990 -2.670 -23.708 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -14.042 -3.908 -23.052 1.00 0.00 H new ATOM 762 N GLY A 52 -10.274 -3.329 -24.439 1.00 0.00 N ATOM 763 CA GLY A 52 -8.864 -2.989 -24.402 1.00 0.00 C ATOM 764 C GLY A 52 -8.488 -2.206 -23.159 1.00 0.00 C ATOM 765 O GLY A 52 -7.811 -1.181 -23.243 1.00 0.00 O ATOM 0 H GLY A 52 -10.857 -2.682 -24.970 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -8.272 -3.903 -24.445 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -8.611 -2.404 -25.286 1.00 0.00 H new ATOM 769 N PHE A 53 -8.930 -2.688 -22.002 1.00 0.00 N ATOM 770 CA PHE A 53 -8.639 -2.025 -20.737 1.00 0.00 C ATOM 771 C PHE A 53 -8.955 -2.940 -19.557 1.00 0.00 C ATOM 772 O PHE A 53 -9.889 -3.741 -19.613 1.00 0.00 O ATOM 773 CB PHE A 53 -9.442 -0.728 -20.619 1.00 0.00 C ATOM 774 CG PHE A 53 -8.762 0.457 -21.242 1.00 0.00 C ATOM 775 CD1 PHE A 53 -7.585 0.957 -20.708 1.00 0.00 C ATOM 776 CD2 PHE A 53 -9.298 1.071 -22.363 1.00 0.00 C ATOM 777 CE1 PHE A 53 -6.958 2.048 -21.279 1.00 0.00 C ATOM 778 CE2 PHE A 53 -8.675 2.162 -22.939 1.00 0.00 C ATOM 779 CZ PHE A 53 -7.502 2.651 -22.396 1.00 0.00 C ATOM 0 H PHE A 53 -9.491 -3.535 -21.915 1.00 0.00 H new ATOM 0 HA PHE A 53 -7.575 -1.789 -20.717 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -10.415 -0.868 -21.091 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -9.626 -0.519 -19.565 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -7.153 0.489 -19.836 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -10.214 0.692 -22.792 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -6.042 2.429 -20.852 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -9.104 2.632 -23.812 1.00 0.00 H new ATOM 0 HZ PHE A 53 -7.012 3.503 -22.844 1.00 0.00 H new ATOM 789 N ILE A 54 -8.170 -2.816 -18.493 1.00 0.00 N ATOM 790 CA ILE A 54 -8.366 -3.631 -17.301 1.00 0.00 C ATOM 791 C ILE A 54 -8.197 -2.801 -16.033 1.00 0.00 C ATOM 792 O ILE A 54 -7.281 -1.985 -15.930 1.00 0.00 O ATOM 793 CB ILE A 54 -7.381 -4.815 -17.260 1.00 0.00 C ATOM 794 CG1 ILE A 54 -5.944 -4.317 -17.426 1.00 0.00 C ATOM 795 CG2 ILE A 54 -7.725 -5.828 -18.342 1.00 0.00 C ATOM 796 CD1 ILE A 54 -4.901 -5.335 -17.020 1.00 0.00 C ATOM 0 H ILE A 54 -7.392 -2.159 -18.432 1.00 0.00 H new ATOM 0 HA ILE A 54 -9.384 -4.017 -17.347 1.00 0.00 H new ATOM 0 HB ILE A 54 -7.466 -5.306 -16.290 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -5.782 -4.039 -18.467 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -5.810 -3.414 -16.830 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -7.020 -6.658 -18.300 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -8.736 -6.202 -18.182 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -7.665 -5.350 -19.320 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -3.906 -4.914 -17.164 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -5.036 -5.596 -15.970 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -5.008 -6.230 -17.633 1.00 0.00 H new ATOM 808 N ASP A 55 -9.086 -3.016 -15.069 1.00 0.00 N ATOM 809 CA ASP A 55 -9.035 -2.289 -13.806 1.00 0.00 C ATOM 810 C ASP A 55 -8.122 -2.997 -12.809 1.00 0.00 C ATOM 811 O ASP A 55 -7.401 -3.928 -13.164 1.00 0.00 O ATOM 812 CB ASP A 55 -10.439 -2.145 -13.218 1.00 0.00 C ATOM 813 CG ASP A 55 -10.826 -0.697 -12.990 1.00 0.00 C ATOM 814 OD1 ASP A 55 -10.287 -0.081 -12.047 1.00 0.00 O ATOM 815 OD2 ASP A 55 -11.668 -0.180 -13.754 1.00 0.00 O ATOM 0 H ASP A 55 -9.850 -3.688 -15.138 1.00 0.00 H new ATOM 0 HA ASP A 55 -8.629 -1.297 -14.002 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -11.161 -2.609 -13.890 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -10.491 -2.685 -12.273 1.00 0.00 H new ATOM 820 N PHE A 56 -8.159 -2.547 -11.558 1.00 0.00 N ATOM 821 CA PHE A 56 -7.335 -3.136 -10.510 1.00 0.00 C ATOM 822 C PHE A 56 -7.726 -4.590 -10.262 1.00 0.00 C ATOM 823 O PHE A 56 -6.869 -5.450 -10.067 1.00 0.00 O ATOM 824 CB PHE A 56 -7.468 -2.332 -9.215 1.00 0.00 C ATOM 825 CG PHE A 56 -6.271 -2.443 -8.315 1.00 0.00 C ATOM 826 CD1 PHE A 56 -4.994 -2.235 -8.810 1.00 0.00 C ATOM 827 CD2 PHE A 56 -6.423 -2.755 -6.973 1.00 0.00 C ATOM 828 CE1 PHE A 56 -3.890 -2.335 -7.984 1.00 0.00 C ATOM 829 CE2 PHE A 56 -5.323 -2.856 -6.142 1.00 0.00 C ATOM 830 CZ PHE A 56 -4.055 -2.647 -6.649 1.00 0.00 C ATOM 0 H PHE A 56 -8.751 -1.777 -11.247 1.00 0.00 H new ATOM 0 HA PHE A 56 -6.297 -3.109 -10.841 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -7.630 -1.283 -9.463 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -8.352 -2.672 -8.675 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -4.859 -1.992 -9.854 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -7.412 -2.921 -6.572 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -2.900 -2.169 -8.382 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -5.455 -3.098 -5.098 1.00 0.00 H new ATOM 0 HZ PHE A 56 -3.194 -2.728 -6.002 1.00 0.00 H new ATOM 840 N ASN A 57 -9.028 -4.855 -10.270 1.00 0.00 N ATOM 841 CA ASN A 57 -9.535 -6.204 -10.045 1.00 0.00 C ATOM 842 C ASN A 57 -9.126 -7.136 -11.182 1.00 0.00 C ATOM 843 O ASN A 57 -8.818 -8.306 -10.958 1.00 0.00 O ATOM 844 CB ASN A 57 -11.059 -6.184 -9.910 1.00 0.00 C ATOM 845 CG ASN A 57 -11.529 -6.729 -8.575 1.00 0.00 C ATOM 846 OD1 ASN A 57 -12.415 -6.161 -7.937 1.00 0.00 O ATOM 847 ND2 ASN A 57 -10.935 -7.837 -8.147 1.00 0.00 N ATOM 0 H ASN A 57 -9.751 -4.154 -10.430 1.00 0.00 H new ATOM 0 HA ASN A 57 -9.100 -6.578 -9.118 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -11.418 -5.162 -10.029 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -11.500 -6.772 -10.715 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -11.209 -8.251 -7.256 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -10.205 -8.274 -8.709 1.00 0.00 H new ATOM 854 N GLU A 58 -9.126 -6.607 -12.402 1.00 0.00 N ATOM 855 CA GLU A 58 -8.756 -7.392 -13.574 1.00 0.00 C ATOM 856 C GLU A 58 -7.258 -7.684 -13.581 1.00 0.00 C ATOM 857 O GLU A 58 -6.841 -8.841 -13.646 1.00 0.00 O ATOM 858 CB GLU A 58 -9.149 -6.653 -14.855 1.00 0.00 C ATOM 859 CG GLU A 58 -10.641 -6.677 -15.138 1.00 0.00 C ATOM 860 CD GLU A 58 -10.981 -6.156 -16.521 1.00 0.00 C ATOM 861 OE1 GLU A 58 -10.325 -6.584 -17.493 1.00 0.00 O ATOM 862 OE2 GLU A 58 -11.903 -5.320 -16.631 1.00 0.00 O ATOM 0 H GLU A 58 -9.378 -5.639 -12.604 1.00 0.00 H new ATOM 0 HA GLU A 58 -9.294 -8.339 -13.531 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -8.818 -5.617 -14.783 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -8.621 -7.098 -15.698 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -11.010 -7.698 -15.038 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -11.159 -6.076 -14.390 1.00 0.00 H new ATOM 869 N PHE A 59 -6.455 -6.628 -13.516 1.00 0.00 N ATOM 870 CA PHE A 59 -5.003 -6.770 -13.516 1.00 0.00 C ATOM 871 C PHE A 59 -4.545 -7.670 -12.373 1.00 0.00 C ATOM 872 O PHE A 59 -3.602 -8.448 -12.521 1.00 0.00 O ATOM 873 CB PHE A 59 -4.335 -5.399 -13.401 1.00 0.00 C ATOM 874 CG PHE A 59 -2.857 -5.428 -13.665 1.00 0.00 C ATOM 875 CD1 PHE A 59 -2.359 -5.982 -14.833 1.00 0.00 C ATOM 876 CD2 PHE A 59 -1.965 -4.902 -12.744 1.00 0.00 C ATOM 877 CE1 PHE A 59 -0.999 -6.010 -15.079 1.00 0.00 C ATOM 878 CE2 PHE A 59 -0.604 -4.927 -12.984 1.00 0.00 C ATOM 879 CZ PHE A 59 -0.121 -5.483 -14.153 1.00 0.00 C ATOM 0 H PHE A 59 -6.784 -5.664 -13.463 1.00 0.00 H new ATOM 0 HA PHE A 59 -4.708 -7.231 -14.458 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -4.808 -4.713 -14.104 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -4.510 -5.001 -12.401 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -3.041 -6.397 -15.560 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -2.338 -4.468 -11.828 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -0.624 -6.444 -15.994 1.00 0.00 H new ATOM 0 HE2 PHE A 59 0.081 -4.513 -12.259 1.00 0.00 H new ATOM 0 HZ PHE A 59 0.942 -5.505 -14.342 1.00 0.00 H new ATOM 889 N ILE A 60 -5.217 -7.557 -11.232 1.00 0.00 N ATOM 890 CA ILE A 60 -4.879 -8.359 -10.064 1.00 0.00 C ATOM 891 C ILE A 60 -5.175 -9.836 -10.307 1.00 0.00 C ATOM 892 O ILE A 60 -4.346 -10.700 -10.025 1.00 0.00 O ATOM 893 CB ILE A 60 -5.652 -7.891 -8.816 1.00 0.00 C ATOM 894 CG1 ILE A 60 -5.003 -6.636 -8.230 1.00 0.00 C ATOM 895 CG2 ILE A 60 -5.704 -9.002 -7.778 1.00 0.00 C ATOM 896 CD1 ILE A 60 -3.732 -6.916 -7.459 1.00 0.00 C ATOM 0 H ILE A 60 -5.999 -6.917 -11.092 1.00 0.00 H new ATOM 0 HA ILE A 60 -3.811 -8.228 -9.890 1.00 0.00 H new ATOM 0 HB ILE A 60 -6.673 -7.646 -9.108 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -4.782 -5.940 -9.039 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -5.717 -6.142 -7.571 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -6.253 -8.656 -6.902 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -6.206 -9.872 -8.201 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -4.690 -9.275 -7.486 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -3.327 -5.981 -7.073 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -3.951 -7.587 -6.629 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -3.001 -7.382 -8.120 1.00 0.00 H new ATOM 908 N SER A 61 -6.363 -10.116 -10.833 1.00 0.00 N ATOM 909 CA SER A 61 -6.770 -11.489 -11.112 1.00 0.00 C ATOM 910 C SER A 61 -5.674 -12.238 -11.864 1.00 0.00 C ATOM 911 O SER A 61 -5.564 -13.461 -11.768 1.00 0.00 O ATOM 912 CB SER A 61 -8.065 -11.503 -11.928 1.00 0.00 C ATOM 913 OG SER A 61 -9.198 -11.376 -11.087 1.00 0.00 O ATOM 0 H SER A 61 -7.060 -9.412 -11.074 1.00 0.00 H new ATOM 0 HA SER A 61 -6.943 -11.992 -10.160 1.00 0.00 H new ATOM 0 HB2 SER A 61 -8.052 -10.688 -12.651 1.00 0.00 H new ATOM 0 HB3 SER A 61 -8.131 -12.431 -12.495 1.00 0.00 H new ATOM 0 HG SER A 61 -9.334 -10.432 -10.861 1.00 0.00 H new ATOM 919 N PHE A 62 -4.865 -11.496 -12.612 1.00 0.00 N ATOM 920 CA PHE A 62 -3.777 -12.089 -13.381 1.00 0.00 C ATOM 921 C PHE A 62 -2.699 -12.648 -12.457 1.00 0.00 C ATOM 922 O PHE A 62 -2.196 -13.752 -12.669 1.00 0.00 O ATOM 923 CB PHE A 62 -3.167 -11.051 -14.326 1.00 0.00 C ATOM 924 CG PHE A 62 -2.457 -11.655 -15.503 1.00 0.00 C ATOM 925 CD1 PHE A 62 -1.452 -12.591 -15.316 1.00 0.00 C ATOM 926 CD2 PHE A 62 -2.794 -11.289 -16.795 1.00 0.00 C ATOM 927 CE1 PHE A 62 -0.796 -13.148 -16.397 1.00 0.00 C ATOM 928 CE2 PHE A 62 -2.141 -11.843 -17.881 1.00 0.00 C ATOM 929 CZ PHE A 62 -1.142 -12.775 -17.681 1.00 0.00 C ATOM 0 H PHE A 62 -4.942 -10.483 -12.702 1.00 0.00 H new ATOM 0 HA PHE A 62 -4.187 -12.910 -13.970 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -3.957 -10.392 -14.687 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -2.465 -10.431 -13.768 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -1.179 -12.888 -14.314 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -3.576 -10.562 -16.957 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -0.013 -13.875 -16.238 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -2.412 -11.547 -18.884 1.00 0.00 H new ATOM 0 HZ PHE A 62 -0.632 -13.212 -18.527 1.00 0.00 H new ATOM 939 N CYS A 63 -2.349 -11.878 -11.433 1.00 0.00 N ATOM 940 CA CYS A 63 -1.329 -12.294 -10.477 1.00 0.00 C ATOM 941 C CYS A 63 -1.883 -13.338 -9.512 1.00 0.00 C ATOM 942 O CYS A 63 -1.231 -14.341 -9.226 1.00 0.00 O ATOM 943 CB CYS A 63 -0.808 -11.087 -9.697 1.00 0.00 C ATOM 944 SG CYS A 63 0.449 -11.492 -8.462 1.00 0.00 S ATOM 0 H CYS A 63 -2.756 -10.962 -11.243 1.00 0.00 H new ATOM 0 HA CYS A 63 -0.505 -12.740 -11.034 1.00 0.00 H new ATOM 0 HB2 CYS A 63 -0.392 -10.366 -10.400 1.00 0.00 H new ATOM 0 HB3 CYS A 63 -1.647 -10.600 -9.200 1.00 0.00 H new ATOM 0 HG CYS A 63 1.120 -10.421 -8.158 1.00 0.00 H new ATOM 950 N ASN A 64 -3.090 -13.093 -9.013 1.00 0.00 N ATOM 951 CA ASN A 64 -3.731 -14.011 -8.078 1.00 0.00 C ATOM 952 C ASN A 64 -3.863 -15.403 -8.687 1.00 0.00 C ATOM 953 O ASN A 64 -3.979 -16.397 -7.970 1.00 0.00 O ATOM 954 CB ASN A 64 -5.110 -13.484 -7.678 1.00 0.00 C ATOM 955 CG ASN A 64 -5.129 -12.921 -6.270 1.00 0.00 C ATOM 956 OD1 ASN A 64 -5.583 -13.578 -5.333 1.00 0.00 O ATOM 957 ND2 ASN A 64 -4.634 -11.699 -6.114 1.00 0.00 N ATOM 0 H ASN A 64 -3.644 -12.267 -9.240 1.00 0.00 H new ATOM 0 HA ASN A 64 -3.104 -14.081 -7.189 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -5.417 -12.709 -8.380 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -5.840 -14.290 -7.754 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -4.620 -11.269 -5.189 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -4.268 -11.190 -6.919 1.00 0.00 H new ATOM 964 N ALA A 65 -3.845 -15.467 -10.014 1.00 0.00 N ATOM 965 CA ALA A 65 -3.960 -16.737 -10.720 1.00 0.00 C ATOM 966 C ALA A 65 -2.610 -17.440 -10.810 1.00 0.00 C ATOM 967 O ALA A 65 -2.541 -18.643 -11.054 1.00 0.00 O ATOM 968 CB ALA A 65 -4.536 -16.518 -12.111 1.00 0.00 C ATOM 0 H ALA A 65 -3.752 -14.654 -10.622 1.00 0.00 H new ATOM 0 HA ALA A 65 -4.637 -17.378 -10.155 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -4.616 -17.475 -12.626 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -5.525 -16.066 -12.028 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -3.880 -15.855 -12.676 1.00 0.00 H new ATOM 974 N ASN A 66 -1.538 -16.679 -10.611 1.00 0.00 N ATOM 975 CA ASN A 66 -0.189 -17.230 -10.671 1.00 0.00 C ATOM 976 C ASN A 66 -0.005 -18.086 -11.920 1.00 0.00 C ATOM 977 O ASN A 66 0.377 -19.254 -11.852 1.00 0.00 O ATOM 978 CB ASN A 66 0.100 -18.063 -9.421 1.00 0.00 C ATOM 979 CG ASN A 66 0.422 -17.204 -8.214 1.00 0.00 C ATOM 980 OD1 ASN A 66 1.576 -17.105 -7.798 1.00 0.00 O ATOM 981 ND2 ASN A 66 -0.602 -16.577 -7.645 1.00 0.00 N ATOM 0 H ASN A 66 -1.577 -15.680 -10.407 1.00 0.00 H new ATOM 0 HA ASN A 66 0.514 -16.398 -10.716 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -0.764 -18.689 -9.198 1.00 0.00 H new ATOM 0 HB3 ASN A 66 0.936 -18.733 -9.620 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -0.448 -15.985 -6.829 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -1.542 -16.688 -8.024 1.00 0.00 H new ATOM 988 N PRO A 67 -0.282 -17.491 -13.090 1.00 0.00 N ATOM 989 CA PRO A 67 -0.154 -18.180 -14.378 1.00 0.00 C ATOM 990 C PRO A 67 1.300 -18.451 -14.748 1.00 0.00 C ATOM 991 O PRO A 67 1.601 -19.403 -15.467 1.00 0.00 O ATOM 992 CB PRO A 67 -0.785 -17.199 -15.369 1.00 0.00 C ATOM 993 CG PRO A 67 -0.635 -15.863 -14.727 1.00 0.00 C ATOM 994 CD PRO A 67 -0.742 -16.101 -13.246 1.00 0.00 C ATOM 0 HA PRO A 67 -0.631 -19.160 -14.366 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -0.281 -17.233 -16.335 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -1.834 -17.437 -15.548 1.00 0.00 H new ATOM 0 HG2 PRO A 67 0.325 -15.413 -14.982 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -1.410 -15.177 -15.069 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -0.120 -15.406 -12.681 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -1.765 -15.974 -12.891 1.00 0.00 H new ATOM 1002 N GLY A 68 2.199 -17.606 -14.252 1.00 0.00 N ATOM 1003 CA GLY A 68 3.612 -17.772 -14.542 1.00 0.00 C ATOM 1004 C GLY A 68 4.155 -16.669 -15.428 1.00 0.00 C ATOM 1005 O GLY A 68 5.293 -16.742 -15.896 1.00 0.00 O ATOM 0 H GLY A 68 1.974 -16.810 -13.655 1.00 0.00 H new ATOM 0 HA2 GLY A 68 4.172 -17.792 -13.607 1.00 0.00 H new ATOM 0 HA3 GLY A 68 3.769 -18.735 -15.028 1.00 0.00 H new ATOM 1009 N LEU A 69 3.342 -15.645 -15.661 1.00 0.00 N ATOM 1010 CA LEU A 69 3.747 -14.521 -16.499 1.00 0.00 C ATOM 1011 C LEU A 69 4.143 -13.321 -15.645 1.00 0.00 C ATOM 1012 O LEU A 69 5.270 -12.833 -15.728 1.00 0.00 O ATOM 1013 CB LEU A 69 2.613 -14.134 -17.449 1.00 0.00 C ATOM 1014 CG LEU A 69 2.147 -15.222 -18.417 1.00 0.00 C ATOM 1015 CD1 LEU A 69 3.319 -15.754 -19.227 1.00 0.00 C ATOM 1016 CD2 LEU A 69 1.463 -16.351 -17.660 1.00 0.00 C ATOM 0 H LEU A 69 2.398 -15.569 -15.282 1.00 0.00 H new ATOM 0 HA LEU A 69 4.614 -14.829 -17.084 1.00 0.00 H new ATOM 0 HB2 LEU A 69 1.758 -13.817 -16.852 1.00 0.00 H new ATOM 0 HB3 LEU A 69 2.933 -13.270 -18.032 1.00 0.00 H new ATOM 0 HG LEU A 69 1.425 -14.784 -19.106 1.00 0.00 H new ATOM 0 HD11 LEU A 69 2.968 -16.527 -19.910 1.00 0.00 H new ATOM 0 HD12 LEU A 69 3.765 -14.940 -19.799 1.00 0.00 H new ATOM 0 HD13 LEU A 69 4.065 -16.176 -18.554 1.00 0.00 H new ATOM 0 HD21 LEU A 69 1.138 -17.117 -18.364 1.00 0.00 H new ATOM 0 HD22 LEU A 69 2.163 -16.787 -16.947 1.00 0.00 H new ATOM 0 HD23 LEU A 69 0.598 -15.959 -17.125 1.00 0.00 H new ATOM 1028 N MET A 70 3.210 -12.851 -14.824 1.00 0.00 N ATOM 1029 CA MET A 70 3.463 -11.710 -13.952 1.00 0.00 C ATOM 1030 C MET A 70 4.591 -12.014 -12.972 1.00 0.00 C ATOM 1031 O MET A 70 5.191 -11.105 -12.397 1.00 0.00 O ATOM 1032 CB MET A 70 2.193 -11.334 -13.186 1.00 0.00 C ATOM 1033 CG MET A 70 1.018 -10.994 -14.088 1.00 0.00 C ATOM 1034 SD MET A 70 0.761 -9.216 -14.252 1.00 0.00 S ATOM 1035 CE MET A 70 1.861 -8.840 -15.615 1.00 0.00 C ATOM 0 H MET A 70 2.272 -13.243 -14.744 1.00 0.00 H new ATOM 0 HA MET A 70 3.765 -10.868 -14.576 1.00 0.00 H new ATOM 0 HB2 MET A 70 1.913 -12.162 -12.535 1.00 0.00 H new ATOM 0 HB3 MET A 70 2.406 -10.480 -12.543 1.00 0.00 H new ATOM 0 HG2 MET A 70 1.185 -11.426 -15.075 1.00 0.00 H new ATOM 0 HG3 MET A 70 0.113 -11.453 -13.689 1.00 0.00 H new ATOM 0 HE1 MET A 70 1.736 -7.797 -15.907 1.00 0.00 H new ATOM 0 HE2 MET A 70 2.893 -9.009 -15.307 1.00 0.00 H new ATOM 0 HE3 MET A 70 1.625 -9.484 -16.462 1.00 0.00 H new ATOM 1045 N LYS A 71 4.876 -13.299 -12.785 1.00 0.00 N ATOM 1046 CA LYS A 71 5.932 -13.724 -11.874 1.00 0.00 C ATOM 1047 C LYS A 71 7.230 -12.974 -12.159 1.00 0.00 C ATOM 1048 O LYS A 71 7.863 -12.443 -11.247 1.00 0.00 O ATOM 1049 CB LYS A 71 6.164 -15.232 -11.998 1.00 0.00 C ATOM 1050 CG LYS A 71 5.068 -16.070 -11.364 1.00 0.00 C ATOM 1051 CD LYS A 71 5.640 -17.260 -10.611 1.00 0.00 C ATOM 1052 CE LYS A 71 6.028 -18.384 -11.559 1.00 0.00 C ATOM 1053 NZ LYS A 71 7.012 -19.316 -10.941 1.00 0.00 N ATOM 0 H LYS A 71 4.390 -14.064 -13.253 1.00 0.00 H new ATOM 0 HA LYS A 71 5.615 -13.494 -10.857 1.00 0.00 H new ATOM 0 HB2 LYS A 71 6.245 -15.493 -13.053 1.00 0.00 H new ATOM 0 HB3 LYS A 71 7.117 -15.484 -11.533 1.00 0.00 H new ATOM 0 HG2 LYS A 71 4.485 -15.452 -10.681 1.00 0.00 H new ATOM 0 HG3 LYS A 71 4.385 -16.422 -12.137 1.00 0.00 H new ATOM 0 HD2 LYS A 71 6.514 -16.945 -10.041 1.00 0.00 H new ATOM 0 HD3 LYS A 71 4.906 -17.625 -9.893 1.00 0.00 H new ATOM 0 HE2 LYS A 71 5.136 -18.938 -11.850 1.00 0.00 H new ATOM 0 HE3 LYS A 71 6.451 -17.961 -12.470 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 7.251 -20.068 -11.619 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 7.874 -18.792 -10.687 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 6.599 -19.739 -10.086 1.00 0.00 H new ATOM 1067 N ASP A 72 7.618 -12.934 -13.428 1.00 0.00 N ATOM 1068 CA ASP A 72 8.839 -12.247 -13.833 1.00 0.00 C ATOM 1069 C ASP A 72 8.584 -10.756 -14.030 1.00 0.00 C ATOM 1070 O ASP A 72 9.454 -9.926 -13.766 1.00 0.00 O ATOM 1071 CB ASP A 72 9.390 -12.857 -15.123 1.00 0.00 C ATOM 1072 CG ASP A 72 8.320 -13.036 -16.182 1.00 0.00 C ATOM 1073 OD1 ASP A 72 8.068 -12.075 -16.939 1.00 0.00 O ATOM 1074 OD2 ASP A 72 7.734 -14.136 -16.254 1.00 0.00 O ATOM 0 H ASP A 72 7.105 -13.369 -14.195 1.00 0.00 H new ATOM 0 HA ASP A 72 9.575 -12.370 -13.039 1.00 0.00 H new ATOM 0 HB2 ASP A 72 10.181 -12.218 -15.515 1.00 0.00 H new ATOM 0 HB3 ASP A 72 9.842 -13.824 -14.900 1.00 0.00 H new ATOM 1079 N VAL A 73 7.384 -10.423 -14.497 1.00 0.00 N ATOM 1080 CA VAL A 73 7.014 -9.032 -14.730 1.00 0.00 C ATOM 1081 C VAL A 73 7.125 -8.212 -13.449 1.00 0.00 C ATOM 1082 O VAL A 73 7.798 -7.182 -13.416 1.00 0.00 O ATOM 1083 CB VAL A 73 5.578 -8.917 -15.276 1.00 0.00 C ATOM 1084 CG1 VAL A 73 5.240 -7.468 -15.589 1.00 0.00 C ATOM 1085 CG2 VAL A 73 5.407 -9.791 -16.509 1.00 0.00 C ATOM 0 H VAL A 73 6.652 -11.097 -14.721 1.00 0.00 H new ATOM 0 HA VAL A 73 7.710 -8.639 -15.472 1.00 0.00 H new ATOM 0 HB VAL A 73 4.887 -9.268 -14.510 1.00 0.00 H new ATOM 0 HG11 VAL A 73 4.222 -7.407 -15.973 1.00 0.00 H new ATOM 0 HG12 VAL A 73 5.321 -6.871 -14.681 1.00 0.00 H new ATOM 0 HG13 VAL A 73 5.934 -7.086 -16.338 1.00 0.00 H new ATOM 0 HG21 VAL A 73 4.387 -9.698 -16.882 1.00 0.00 H new ATOM 0 HG22 VAL A 73 6.106 -9.471 -17.281 1.00 0.00 H new ATOM 0 HG23 VAL A 73 5.605 -10.831 -16.248 1.00 0.00 H new ATOM 1095 N ALA A 74 6.461 -8.676 -12.396 1.00 0.00 N ATOM 1096 CA ALA A 74 6.487 -7.988 -11.112 1.00 0.00 C ATOM 1097 C ALA A 74 7.891 -7.992 -10.515 1.00 0.00 C ATOM 1098 O ALA A 74 8.195 -7.213 -9.611 1.00 0.00 O ATOM 1099 CB ALA A 74 5.500 -8.629 -10.148 1.00 0.00 C ATOM 0 H ALA A 74 5.898 -9.526 -12.407 1.00 0.00 H new ATOM 0 HA ALA A 74 6.194 -6.951 -11.278 1.00 0.00 H new ATOM 0 HB1 ALA A 74 5.531 -8.104 -9.193 1.00 0.00 H new ATOM 0 HB2 ALA A 74 4.494 -8.568 -10.563 1.00 0.00 H new ATOM 0 HB3 ALA A 74 5.767 -9.675 -9.996 1.00 0.00 H new ATOM 1105 N LYS A 75 8.742 -8.875 -11.025 1.00 0.00 N ATOM 1106 CA LYS A 75 10.115 -8.982 -10.543 1.00 0.00 C ATOM 1107 C LYS A 75 10.939 -7.775 -10.979 1.00 0.00 C ATOM 1108 O LYS A 75 11.878 -7.371 -10.292 1.00 0.00 O ATOM 1109 CB LYS A 75 10.761 -10.268 -11.063 1.00 0.00 C ATOM 1110 CG LYS A 75 11.850 -10.029 -12.093 1.00 0.00 C ATOM 1111 CD LYS A 75 12.281 -11.324 -12.761 1.00 0.00 C ATOM 1112 CE LYS A 75 12.778 -12.338 -11.742 1.00 0.00 C ATOM 1113 NZ LYS A 75 13.962 -13.090 -12.241 1.00 0.00 N ATOM 0 H LYS A 75 8.506 -9.528 -11.772 1.00 0.00 H new ATOM 0 HA LYS A 75 10.091 -9.010 -9.454 1.00 0.00 H new ATOM 0 HB2 LYS A 75 11.183 -10.818 -10.222 1.00 0.00 H new ATOM 0 HB3 LYS A 75 9.989 -10.900 -11.503 1.00 0.00 H new ATOM 0 HG2 LYS A 75 11.490 -9.331 -12.849 1.00 0.00 H new ATOM 0 HG3 LYS A 75 12.710 -9.563 -11.613 1.00 0.00 H new ATOM 0 HD2 LYS A 75 11.443 -11.745 -13.316 1.00 0.00 H new ATOM 0 HD3 LYS A 75 13.070 -11.117 -13.484 1.00 0.00 H new ATOM 0 HE2 LYS A 75 13.037 -11.825 -10.816 1.00 0.00 H new ATOM 0 HE3 LYS A 75 11.977 -13.038 -11.505 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 14.271 -13.771 -11.518 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 13.708 -13.600 -13.111 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 14.736 -12.425 -12.443 1.00 0.00 H new ATOM 1127 N VAL A 76 10.581 -7.201 -12.123 1.00 0.00 N ATOM 1128 CA VAL A 76 11.287 -6.038 -12.649 1.00 0.00 C ATOM 1129 C VAL A 76 10.474 -4.764 -12.446 1.00 0.00 C ATOM 1130 O VAL A 76 10.683 -3.765 -13.134 1.00 0.00 O ATOM 1131 CB VAL A 76 11.599 -6.201 -14.148 1.00 0.00 C ATOM 1132 CG1 VAL A 76 12.698 -7.231 -14.356 1.00 0.00 C ATOM 1133 CG2 VAL A 76 10.342 -6.588 -14.914 1.00 0.00 C ATOM 0 H VAL A 76 9.806 -7.522 -12.704 1.00 0.00 H new ATOM 0 HA VAL A 76 12.224 -5.960 -12.097 1.00 0.00 H new ATOM 0 HB VAL A 76 11.953 -5.245 -14.534 1.00 0.00 H new ATOM 0 HG11 VAL A 76 12.905 -7.332 -15.421 1.00 0.00 H new ATOM 0 HG12 VAL A 76 13.602 -6.908 -13.840 1.00 0.00 H new ATOM 0 HG13 VAL A 76 12.376 -8.192 -13.956 1.00 0.00 H new ATOM 0 HG21 VAL A 76 10.580 -6.699 -15.972 1.00 0.00 H new ATOM 0 HG22 VAL A 76 9.957 -7.532 -14.528 1.00 0.00 H new ATOM 0 HG23 VAL A 76 9.588 -5.811 -14.792 1.00 0.00 H new ATOM 1143 N PHE A 77 9.547 -4.806 -11.495 1.00 0.00 N ATOM 1144 CA PHE A 77 8.701 -3.655 -11.200 1.00 0.00 C ATOM 1145 C PHE A 77 7.853 -3.907 -9.957 1.00 0.00 C ATOM 1146 O PHE A 77 6.957 -4.750 -9.966 1.00 0.00 O ATOM 1147 CB PHE A 77 7.796 -3.341 -12.394 1.00 0.00 C ATOM 1148 CG PHE A 77 7.592 -1.871 -12.620 1.00 0.00 C ATOM 1149 CD1 PHE A 77 6.626 -1.175 -11.910 1.00 0.00 C ATOM 1150 CD2 PHE A 77 8.364 -1.184 -13.542 1.00 0.00 C ATOM 1151 CE1 PHE A 77 6.435 0.178 -12.117 1.00 0.00 C ATOM 1152 CE2 PHE A 77 8.178 0.169 -13.754 1.00 0.00 C ATOM 1153 CZ PHE A 77 7.213 0.851 -13.039 1.00 0.00 C ATOM 0 H PHE A 77 9.362 -5.625 -10.915 1.00 0.00 H new ATOM 0 HA PHE A 77 9.349 -2.799 -11.009 1.00 0.00 H new ATOM 0 HB2 PHE A 77 8.227 -3.782 -13.293 1.00 0.00 H new ATOM 0 HB3 PHE A 77 6.827 -3.815 -12.240 1.00 0.00 H new ATOM 0 HD1 PHE A 77 6.016 -1.696 -11.187 1.00 0.00 H new ATOM 0 HD2 PHE A 77 9.121 -1.712 -14.103 1.00 0.00 H new ATOM 0 HE1 PHE A 77 5.678 0.709 -11.558 1.00 0.00 H new ATOM 0 HE2 PHE A 77 8.786 0.692 -14.477 1.00 0.00 H new ATOM 0 HZ PHE A 77 7.067 1.909 -13.200 1.00 0.00 H new