USER MOD reduce.3.24.130724 H: found=0, std=0, add=820, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 823 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 109 MET CE :methyl -150:sc= -0.0206 (180deg=0) USER MOD Set 1.2: A 113 MET CE :methyl 179:sc= 0 (180deg=0) USER MOD Set 2.1: A 88 LYS NZ :NH3+ -123:sc= -0.691 (180deg=-1.27!) USER MOD Set 2.2: A 111 SER OG : rot 180:sc= -0.0894 USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 CYS SG : rot 153:sc= 0.0126 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 18 ASN : amide:sc= -0.0434 K(o=-0.043,f=-1.8!) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 41 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 43 ASN :FLIP amide:sc= -1.86 F(o=-2.7,f=-1.9) USER MOD Single : A 45 SER OG : rot 91:sc= 0.799 USER MOD Single : A 46 THR OG1 : rot 28:sc= 1.23 USER MOD Single : A 56 THR OG1 : rot 180:sc= -0.0551 USER MOD Single : A 59 GLN : amide:sc= 0.46 X(o=0.46,f=0.13) USER MOD Single : A 65 CYS SG : rot 180:sc= 0 USER MOD Single : A 68 GLN : amide:sc= 0 X(o=0,f=-0.056) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 SER OG : rot 180:sc= -0.0286 USER MOD Single : A 77 SER OG : rot 81:sc= 0.0798 USER MOD Single : A 78 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.00681) USER MOD Single : A 82 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 86 THR OG1 : rot 72:sc= -0.0725 USER MOD Single : A 97 ASN : amide:sc= -0.0716 K(o=-0.072,f=-1.7!) USER MOD Single : A 98 MET CE :methyl 141:sc= -1.62 (180deg=-6.44!) USER MOD Single : A 99 THR OG1 : rot -50:sc= 1.03 USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 102 THR OG1 : rot 180:sc= 0.178 USER MOD Single : A 108 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 110 TYR OH : rot 80:sc= -1.21 USER MOD Single : A 112 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 22 N LEU A 4 4.506 3.540 -3.212 1.00 1.22 N ATOM 23 CA LEU A 4 5.548 3.146 -4.154 1.00 44.50 C ATOM 24 C LEU A 4 5.711 1.629 -4.181 1.00 61.54 C ATOM 25 O LEU A 4 6.773 1.115 -4.534 1.00 14.43 O ATOM 26 CB LEU A 4 6.876 3.807 -3.783 1.00 13.41 C ATOM 27 CG LEU A 4 7.682 4.392 -4.942 1.00 42.14 C ATOM 28 CD1 LEU A 4 8.125 3.290 -5.892 1.00 65.21 C ATOM 29 CD2 LEU A 4 6.866 5.442 -5.683 1.00 53.02 C ATOM 0 HA LEU A 4 5.250 3.479 -5.148 1.00 44.50 H new ATOM 0 HB2 LEU A 4 6.674 4.605 -3.068 1.00 13.41 H new ATOM 0 HB3 LEU A 4 7.495 3.070 -3.272 1.00 13.41 H new ATOM 0 HG LEU A 4 8.572 4.873 -4.535 1.00 42.14 H new ATOM 0 HD11 LEU A 4 8.698 3.724 -6.711 1.00 65.21 H new ATOM 0 HD12 LEU A 4 8.747 2.574 -5.354 1.00 65.21 H new ATOM 0 HD13 LEU A 4 7.248 2.780 -6.292 1.00 65.21 H new ATOM 0 HD21 LEU A 4 7.456 5.848 -6.505 1.00 53.02 H new ATOM 0 HD22 LEU A 4 5.959 4.985 -6.078 1.00 53.02 H new ATOM 0 HD23 LEU A 4 6.599 6.246 -4.997 1.00 53.02 H new ATOM 41 N LYS A 5 4.653 0.918 -3.811 1.00 4.54 N ATOM 42 CA LYS A 5 4.676 -0.540 -3.796 1.00 25.15 C ATOM 43 C LYS A 5 5.144 -1.090 -5.140 1.00 12.34 C ATOM 44 O LYS A 5 4.448 -0.966 -6.148 1.00 73.22 O ATOM 45 CB LYS A 5 3.287 -1.090 -3.464 1.00 14.23 C ATOM 46 CG LYS A 5 3.319 -2.394 -2.687 1.00 52.41 C ATOM 47 CD LYS A 5 3.216 -2.155 -1.190 1.00 33.24 C ATOM 48 CE LYS A 5 2.770 -3.409 -0.454 1.00 32.31 C ATOM 49 NZ LYS A 5 1.936 -3.086 0.737 1.00 72.21 N ATOM 0 H LYS A 5 3.767 1.328 -3.517 1.00 4.54 H new ATOM 0 HA LYS A 5 5.379 -0.859 -3.027 1.00 25.15 H new ATOM 0 HB2 LYS A 5 2.739 -0.346 -2.886 1.00 14.23 H new ATOM 0 HB3 LYS A 5 2.735 -1.243 -4.391 1.00 14.23 H new ATOM 0 HG2 LYS A 5 2.497 -3.032 -3.012 1.00 52.41 H new ATOM 0 HG3 LYS A 5 4.243 -2.928 -2.908 1.00 52.41 H new ATOM 0 HD2 LYS A 5 4.183 -1.831 -0.805 1.00 33.24 H new ATOM 0 HD3 LYS A 5 2.509 -1.348 -0.997 1.00 33.24 H new ATOM 0 HE2 LYS A 5 2.203 -4.046 -1.133 1.00 32.31 H new ATOM 0 HE3 LYS A 5 3.646 -3.977 -0.141 1.00 32.31 H new ATOM 0 HZ1 LYS A 5 1.652 -3.967 1.211 1.00 72.21 H new ATOM 0 HZ2 LYS A 5 2.485 -2.499 1.397 1.00 72.21 H new ATOM 0 HZ3 LYS A 5 1.087 -2.566 0.436 1.00 72.21 H new ATOM 63 N SER A 6 6.326 -1.698 -5.145 1.00 53.32 N ATOM 64 CA SER A 6 6.887 -2.266 -6.365 1.00 51.14 C ATOM 65 C SER A 6 5.964 -3.335 -6.943 1.00 1.14 C ATOM 66 O SER A 6 6.040 -3.661 -8.127 1.00 4.32 O ATOM 67 CB SER A 6 8.267 -2.865 -6.086 1.00 42.41 C ATOM 68 OG SER A 6 9.113 -2.746 -7.217 1.00 71.00 O ATOM 0 H SER A 6 6.913 -1.810 -4.318 1.00 53.32 H new ATOM 0 HA SER A 6 6.987 -1.464 -7.096 1.00 51.14 H new ATOM 0 HB2 SER A 6 8.721 -2.359 -5.234 1.00 42.41 H new ATOM 0 HB3 SER A 6 8.163 -3.916 -5.815 1.00 42.41 H new ATOM 0 HG SER A 6 9.989 -3.135 -7.013 1.00 71.00 H new ATOM 74 N ARG A 7 5.093 -3.875 -6.097 1.00 20.21 N ATOM 75 CA ARG A 7 4.155 -4.907 -6.522 1.00 11.42 C ATOM 76 C ARG A 7 3.122 -4.339 -7.490 1.00 64.51 C ATOM 77 O ARG A 7 3.026 -4.776 -8.637 1.00 21.25 O ATOM 78 CB ARG A 7 3.450 -5.517 -5.308 1.00 74.42 C ATOM 79 CG ARG A 7 3.073 -6.978 -5.493 1.00 61.54 C ATOM 80 CD ARG A 7 3.627 -7.841 -4.370 1.00 5.52 C ATOM 81 NE ARG A 7 2.883 -9.090 -4.223 1.00 22.24 N ATOM 82 CZ ARG A 7 3.235 -10.061 -3.389 1.00 32.25 C ATOM 83 NH1 ARG A 7 4.314 -9.929 -2.630 1.00 32.23 N ATOM 84 NH2 ARG A 7 2.506 -11.167 -3.310 1.00 44.13 N ATOM 0 H ARG A 7 5.017 -3.615 -5.114 1.00 20.21 H new ATOM 0 HA ARG A 7 4.719 -5.685 -7.036 1.00 11.42 H new ATOM 0 HB2 ARG A 7 4.100 -5.426 -4.437 1.00 74.42 H new ATOM 0 HB3 ARG A 7 2.549 -4.942 -5.095 1.00 74.42 H new ATOM 0 HG2 ARG A 7 1.988 -7.074 -5.526 1.00 61.54 H new ATOM 0 HG3 ARG A 7 3.454 -7.335 -6.450 1.00 61.54 H new ATOM 0 HD2 ARG A 7 4.675 -8.064 -4.568 1.00 5.52 H new ATOM 0 HD3 ARG A 7 3.591 -7.285 -3.433 1.00 5.52 H new ATOM 0 HE ARG A 7 2.047 -9.223 -4.792 1.00 22.24 H new ATOM 0 HH11 ARG A 7 4.876 -9.080 -2.686 1.00 32.23 H new ATOM 0 HH12 ARG A 7 4.582 -10.677 -1.990 1.00 32.23 H new ATOM 0 HH21 ARG A 7 1.674 -11.272 -3.891 1.00 44.13 H new ATOM 0 HH22 ARG A 7 2.778 -11.912 -2.669 1.00 44.13 H new ATOM 98 N ASP A 8 2.352 -3.363 -7.021 1.00 74.23 N ATOM 99 CA ASP A 8 1.328 -2.734 -7.845 1.00 1.23 C ATOM 100 C ASP A 8 1.954 -1.789 -8.866 1.00 54.23 C ATOM 101 O ASP A 8 1.390 -1.549 -9.933 1.00 23.13 O ATOM 102 CB ASP A 8 0.335 -1.970 -6.967 1.00 21.02 C ATOM 103 CG ASP A 8 -1.057 -1.929 -7.567 1.00 23.11 C ATOM 104 OD1 ASP A 8 -1.393 -0.917 -8.217 1.00 42.15 O ATOM 105 OD2 ASP A 8 -1.809 -2.909 -7.388 1.00 25.12 O ATOM 0 H ASP A 8 2.418 -2.991 -6.074 1.00 74.23 H new ATOM 0 HA ASP A 8 0.797 -3.520 -8.383 1.00 1.23 H new ATOM 0 HB2 ASP A 8 0.290 -2.438 -5.983 1.00 21.02 H new ATOM 0 HB3 ASP A 8 0.694 -0.951 -6.819 1.00 21.02 H new ATOM 110 N TRP A 9 3.124 -1.256 -8.530 1.00 51.01 N ATOM 111 CA TRP A 9 3.827 -0.337 -9.417 1.00 22.52 C ATOM 112 C TRP A 9 4.316 -1.055 -10.669 1.00 43.34 C ATOM 113 O TRP A 9 4.077 -0.605 -11.789 1.00 65.34 O ATOM 114 CB TRP A 9 5.008 0.305 -8.687 1.00 60.15 C ATOM 115 CG TRP A 9 5.895 1.113 -9.587 1.00 4.31 C ATOM 116 CD1 TRP A 9 7.256 1.048 -9.670 1.00 42.32 C ATOM 117 CD2 TRP A 9 5.480 2.107 -10.530 1.00 32.22 C ATOM 118 NE1 TRP A 9 7.713 1.943 -10.608 1.00 52.44 N ATOM 119 CE2 TRP A 9 6.644 2.604 -11.149 1.00 44.01 C ATOM 120 CE3 TRP A 9 4.240 2.626 -10.912 1.00 32.23 C ATOM 121 CZ2 TRP A 9 6.601 3.593 -12.128 1.00 4.13 C ATOM 122 CZ3 TRP A 9 4.200 3.608 -11.883 1.00 5.01 C ATOM 123 CH2 TRP A 9 5.373 4.083 -12.483 1.00 64.55 C ATOM 0 H TRP A 9 3.605 -1.445 -7.650 1.00 51.01 H new ATOM 0 HA TRP A 9 3.128 0.443 -9.719 1.00 22.52 H new ATOM 0 HB2 TRP A 9 4.629 0.946 -7.891 1.00 60.15 H new ATOM 0 HB3 TRP A 9 5.600 -0.477 -8.211 1.00 60.15 H new ATOM 0 HD1 TRP A 9 7.882 0.390 -9.085 1.00 42.32 H new ATOM 0 HE1 TRP A 9 8.690 2.090 -10.860 1.00 52.44 H new ATOM 0 HE3 TRP A 9 3.329 2.266 -10.456 1.00 32.23 H new ATOM 0 HZ2 TRP A 9 7.505 3.961 -12.591 1.00 4.13 H new ATOM 0 HZ3 TRP A 9 3.247 4.017 -12.185 1.00 5.01 H new ATOM 0 HH2 TRP A 9 5.308 4.850 -13.240 1.00 64.55 H new ATOM 134 N LYS A 10 5.003 -2.175 -10.473 1.00 1.43 N ATOM 135 CA LYS A 10 5.525 -2.958 -11.587 1.00 15.50 C ATOM 136 C LYS A 10 4.399 -3.680 -12.320 1.00 55.31 C ATOM 137 O LYS A 10 4.466 -3.887 -13.531 1.00 72.41 O ATOM 138 CB LYS A 10 6.554 -3.974 -11.085 1.00 15.23 C ATOM 139 CG LYS A 10 7.062 -4.911 -12.167 1.00 62.44 C ATOM 140 CD LYS A 10 6.301 -6.226 -12.170 1.00 74.52 C ATOM 141 CE LYS A 10 7.215 -7.398 -12.490 1.00 54.40 C ATOM 142 NZ LYS A 10 7.685 -8.088 -11.256 1.00 23.43 N ATOM 0 H LYS A 10 5.212 -2.561 -9.552 1.00 1.43 H new ATOM 0 HA LYS A 10 6.008 -2.274 -12.284 1.00 15.50 H new ATOM 0 HB2 LYS A 10 7.400 -3.439 -10.653 1.00 15.23 H new ATOM 0 HB3 LYS A 10 6.108 -4.565 -10.285 1.00 15.23 H new ATOM 0 HG2 LYS A 10 6.964 -4.431 -13.141 1.00 62.44 H new ATOM 0 HG3 LYS A 10 8.124 -5.105 -12.013 1.00 62.44 H new ATOM 0 HD2 LYS A 10 5.836 -6.381 -11.196 1.00 74.52 H new ATOM 0 HD3 LYS A 10 5.496 -6.180 -12.904 1.00 74.52 H new ATOM 0 HE2 LYS A 10 6.685 -8.109 -13.124 1.00 54.40 H new ATOM 0 HE3 LYS A 10 8.075 -7.043 -13.058 1.00 54.40 H new ATOM 0 HZ1 LYS A 10 8.305 -8.881 -11.517 1.00 23.43 H new ATOM 0 HZ2 LYS A 10 8.212 -7.416 -10.662 1.00 23.43 H new ATOM 0 HZ3 LYS A 10 6.866 -8.449 -10.727 1.00 23.43 H new ATOM 156 N MET A 11 3.364 -4.060 -11.578 1.00 30.12 N ATOM 157 CA MET A 11 2.222 -4.756 -12.159 1.00 50.51 C ATOM 158 C MET A 11 1.375 -3.805 -12.997 1.00 44.40 C ATOM 159 O MET A 11 1.002 -4.123 -14.127 1.00 12.03 O ATOM 160 CB MET A 11 1.366 -5.384 -11.057 1.00 1.41 C ATOM 161 CG MET A 11 1.916 -6.703 -10.537 1.00 1.25 C ATOM 162 SD MET A 11 1.211 -8.131 -11.381 1.00 2.12 S ATOM 163 CE MET A 11 2.287 -9.437 -10.794 1.00 24.21 C ATOM 0 H MET A 11 3.293 -3.898 -10.574 1.00 30.12 H new ATOM 0 HA MET A 11 2.601 -5.545 -12.809 1.00 50.51 H new ATOM 0 HB2 MET A 11 1.284 -4.682 -10.227 1.00 1.41 H new ATOM 0 HB3 MET A 11 0.358 -5.545 -11.439 1.00 1.41 H new ATOM 0 HG2 MET A 11 2.999 -6.713 -10.657 1.00 1.25 H new ATOM 0 HG3 MET A 11 1.713 -6.781 -9.469 1.00 1.25 H new ATOM 0 HE1 MET A 11 1.977 -10.387 -11.230 1.00 24.21 H new ATOM 0 HE2 MET A 11 3.314 -9.221 -11.087 1.00 24.21 H new ATOM 0 HE3 MET A 11 2.225 -9.499 -9.708 1.00 24.21 H new ATOM 173 N ALA A 12 1.073 -2.638 -12.437 1.00 4.03 N ATOM 174 CA ALA A 12 0.271 -1.641 -13.135 1.00 32.32 C ATOM 175 C ALA A 12 0.946 -1.200 -14.429 1.00 73.35 C ATOM 176 O ALA A 12 0.333 -1.212 -15.496 1.00 22.04 O ATOM 177 CB ALA A 12 0.019 -0.441 -12.233 1.00 73.04 C ATOM 0 H ALA A 12 1.372 -2.360 -11.502 1.00 4.03 H new ATOM 0 HA ALA A 12 -0.685 -2.096 -13.392 1.00 32.32 H new ATOM 0 HB1 ALA A 12 -0.581 0.296 -12.767 1.00 73.04 H new ATOM 0 HB2 ALA A 12 -0.514 -0.764 -11.339 1.00 73.04 H new ATOM 0 HB3 ALA A 12 0.971 0.005 -11.947 1.00 73.04 H new ATOM 183 N ILE A 13 2.213 -0.812 -14.327 1.00 62.20 N ATOM 184 CA ILE A 13 2.972 -0.367 -15.490 1.00 10.41 C ATOM 185 C ILE A 13 3.149 -1.500 -16.496 1.00 33.22 C ATOM 186 O ILE A 13 3.184 -1.271 -17.705 1.00 40.14 O ATOM 187 CB ILE A 13 4.358 0.168 -15.086 1.00 50.14 C ATOM 188 CG1 ILE A 13 4.213 1.386 -14.171 1.00 44.23 C ATOM 189 CG2 ILE A 13 5.169 0.523 -16.324 1.00 53.44 C ATOM 190 CD1 ILE A 13 3.666 2.607 -14.875 1.00 22.45 C ATOM 0 H ILE A 13 2.736 -0.797 -13.451 1.00 62.20 H new ATOM 0 HA ILE A 13 2.401 0.439 -15.951 1.00 10.41 H new ATOM 0 HB ILE A 13 4.887 -0.612 -14.539 1.00 50.14 H new ATOM 0 HG12 ILE A 13 3.555 1.130 -13.340 1.00 44.23 H new ATOM 0 HG13 ILE A 13 5.186 1.628 -13.744 1.00 44.23 H new ATOM 0 HG21 ILE A 13 6.146 0.900 -16.023 1.00 53.44 H new ATOM 0 HG22 ILE A 13 5.297 -0.366 -16.942 1.00 53.44 H new ATOM 0 HG23 ILE A 13 4.645 1.289 -16.895 1.00 53.44 H new ATOM 0 HD11 ILE A 13 3.590 3.432 -14.167 1.00 22.45 H new ATOM 0 HD12 ILE A 13 4.335 2.888 -15.689 1.00 22.45 H new ATOM 0 HD13 ILE A 13 2.678 2.383 -15.278 1.00 22.45 H new ATOM 202 N LYS A 14 3.259 -2.723 -15.988 1.00 74.14 N ATOM 203 CA LYS A 14 3.429 -3.894 -16.841 1.00 74.51 C ATOM 204 C LYS A 14 2.258 -4.038 -17.805 1.00 64.25 C ATOM 205 O LYS A 14 2.452 -4.188 -19.013 1.00 3.13 O ATOM 206 CB LYS A 14 3.561 -5.157 -15.987 1.00 22.22 C ATOM 207 CG LYS A 14 3.503 -6.443 -16.792 1.00 64.24 C ATOM 208 CD LYS A 14 3.911 -7.644 -15.955 1.00 14.54 C ATOM 209 CE LYS A 14 2.723 -8.227 -15.201 1.00 65.54 C ATOM 210 NZ LYS A 14 2.182 -9.441 -15.875 1.00 34.24 N ATOM 0 H LYS A 14 3.233 -2.929 -14.989 1.00 74.14 H new ATOM 0 HA LYS A 14 4.341 -3.760 -17.423 1.00 74.51 H new ATOM 0 HB2 LYS A 14 4.505 -5.121 -15.443 1.00 22.22 H new ATOM 0 HB3 LYS A 14 2.764 -5.168 -15.243 1.00 22.22 H new ATOM 0 HG2 LYS A 14 2.492 -6.590 -17.172 1.00 64.24 H new ATOM 0 HG3 LYS A 14 4.160 -6.361 -17.658 1.00 64.24 H new ATOM 0 HD2 LYS A 14 4.345 -8.408 -16.600 1.00 14.54 H new ATOM 0 HD3 LYS A 14 4.684 -7.349 -15.246 1.00 14.54 H new ATOM 0 HE2 LYS A 14 3.026 -8.480 -14.185 1.00 65.54 H new ATOM 0 HE3 LYS A 14 1.938 -7.475 -15.122 1.00 65.54 H new ATOM 0 HZ1 LYS A 14 1.375 -9.809 -15.332 1.00 34.24 H new ATOM 0 HZ2 LYS A 14 1.870 -9.194 -16.836 1.00 34.24 H new ATOM 0 HZ3 LYS A 14 2.924 -10.168 -15.928 1.00 34.24 H new ATOM 224 N ARG A 15 1.044 -3.991 -17.267 1.00 42.33 N ATOM 225 CA ARG A 15 -0.159 -4.117 -18.082 1.00 71.24 C ATOM 226 C ARG A 15 -0.467 -2.808 -18.803 1.00 14.21 C ATOM 227 O ARG A 15 -0.993 -2.809 -19.916 1.00 13.42 O ATOM 228 CB ARG A 15 -1.349 -4.526 -17.213 1.00 61.03 C ATOM 229 CG ARG A 15 -1.888 -5.911 -17.531 1.00 65.34 C ATOM 230 CD ARG A 15 -0.932 -7.001 -17.071 1.00 14.31 C ATOM 231 NE ARG A 15 -1.603 -8.288 -16.916 1.00 3.53 N ATOM 232 CZ ARG A 15 -1.880 -9.100 -17.930 1.00 12.03 C ATOM 233 NH1 ARG A 15 -1.545 -8.759 -19.167 1.00 10.13 N ATOM 234 NH2 ARG A 15 -2.495 -10.256 -17.708 1.00 74.42 N ATOM 0 H ARG A 15 0.867 -3.867 -16.270 1.00 42.33 H new ATOM 0 HA ARG A 15 0.018 -4.890 -18.830 1.00 71.24 H new ATOM 0 HB2 ARG A 15 -1.051 -4.493 -16.165 1.00 61.03 H new ATOM 0 HB3 ARG A 15 -2.149 -3.796 -17.340 1.00 61.03 H new ATOM 0 HG2 ARG A 15 -2.855 -6.046 -17.047 1.00 65.34 H new ATOM 0 HG3 ARG A 15 -2.054 -6.000 -18.605 1.00 65.34 H new ATOM 0 HD2 ARG A 15 -0.121 -7.100 -17.792 1.00 14.31 H new ATOM 0 HD3 ARG A 15 -0.481 -6.711 -16.122 1.00 14.31 H new ATOM 0 HE ARG A 15 -1.874 -8.580 -15.977 1.00 3.53 H new ATOM 0 HH11 ARG A 15 -1.074 -7.871 -19.341 1.00 10.13 H new ATOM 0 HH12 ARG A 15 -1.759 -9.384 -19.944 1.00 10.13 H new ATOM 0 HH21 ARG A 15 -2.755 -10.521 -16.758 1.00 74.42 H new ATOM 0 HH22 ARG A 15 -2.707 -10.879 -18.487 1.00 74.42 H new ATOM 248 N CYS A 16 -0.137 -1.694 -18.160 1.00 33.41 N ATOM 249 CA CYS A 16 -0.379 -0.377 -18.738 1.00 70.21 C ATOM 250 C CYS A 16 0.239 -0.271 -20.128 1.00 11.31 C ATOM 251 O CYS A 16 -0.375 0.262 -21.052 1.00 1.33 O ATOM 252 CB CYS A 16 0.189 0.715 -17.829 1.00 3.41 C ATOM 253 SG CYS A 16 0.094 2.380 -18.528 1.00 54.15 S ATOM 0 H CYS A 16 0.299 -1.676 -17.238 1.00 33.41 H new ATOM 0 HA CYS A 16 -1.457 -0.240 -18.828 1.00 70.21 H new ATOM 0 HB2 CYS A 16 -0.348 0.699 -16.881 1.00 3.41 H new ATOM 0 HB3 CYS A 16 1.231 0.484 -17.609 1.00 3.41 H new ATOM 0 HG CYS A 16 0.046 3.253 -17.566 1.00 54.15 H new ATOM 259 N SER A 17 1.458 -0.781 -20.268 1.00 24.41 N ATOM 260 CA SER A 17 2.162 -0.739 -21.545 1.00 32.25 C ATOM 261 C SER A 17 1.359 -1.446 -22.631 1.00 63.31 C ATOM 262 O SER A 17 1.534 -1.180 -23.820 1.00 0.45 O ATOM 263 CB SER A 17 3.542 -1.386 -21.411 1.00 25.32 C ATOM 264 OG SER A 17 4.548 -0.564 -21.980 1.00 15.24 O ATOM 0 H SER A 17 1.979 -1.228 -19.514 1.00 24.41 H new ATOM 0 HA SER A 17 2.285 0.306 -21.831 1.00 32.25 H new ATOM 0 HB2 SER A 17 3.764 -1.562 -20.358 1.00 25.32 H new ATOM 0 HB3 SER A 17 3.541 -2.358 -21.904 1.00 25.32 H new ATOM 0 HG SER A 17 5.421 -0.999 -21.880 1.00 15.24 H new ATOM 270 N ASN A 18 0.477 -2.348 -22.214 1.00 53.33 N ATOM 271 CA ASN A 18 -0.354 -3.096 -23.151 1.00 24.23 C ATOM 272 C ASN A 18 -1.732 -2.455 -23.286 1.00 42.05 C ATOM 273 O ASN A 18 -2.718 -3.134 -23.571 1.00 2.35 O ATOM 274 CB ASN A 18 -0.497 -4.548 -22.692 1.00 70.22 C ATOM 275 CG ASN A 18 0.745 -5.369 -22.976 1.00 62.44 C ATOM 276 OD1 ASN A 18 1.615 -4.955 -23.744 1.00 12.24 O ATOM 277 ND2 ASN A 18 0.835 -6.541 -22.359 1.00 12.22 N ATOM 0 H ASN A 18 0.319 -2.579 -21.233 1.00 53.33 H new ATOM 0 HA ASN A 18 0.133 -3.077 -24.126 1.00 24.23 H new ATOM 0 HB2 ASN A 18 -0.706 -4.569 -21.623 1.00 70.22 H new ATOM 0 HB3 ASN A 18 -1.352 -5.002 -23.193 1.00 70.22 H new ATOM 0 HD21 ASN A 18 1.648 -7.137 -22.513 1.00 12.22 H new ATOM 0 HD22 ASN A 18 0.091 -6.845 -21.731 1.00 12.22 H new ATOM 284 N VAL A 19 -1.791 -1.144 -23.081 1.00 24.35 N ATOM 285 CA VAL A 19 -3.047 -0.410 -23.181 1.00 5.25 C ATOM 286 C VAL A 19 -3.008 0.594 -24.328 1.00 33.31 C ATOM 287 O VAL A 19 -1.968 1.188 -24.610 1.00 74.41 O ATOM 288 CB VAL A 19 -3.369 0.335 -21.872 1.00 1.23 C ATOM 289 CG1 VAL A 19 -4.766 0.935 -21.928 1.00 34.24 C ATOM 290 CG2 VAL A 19 -3.229 -0.600 -20.680 1.00 13.22 C ATOM 0 H VAL A 19 -0.983 -0.567 -22.844 1.00 24.35 H new ATOM 0 HA VAL A 19 -3.828 -1.146 -23.373 1.00 5.25 H new ATOM 0 HB VAL A 19 -2.655 1.150 -21.753 1.00 1.23 H new ATOM 0 HG11 VAL A 19 -4.975 1.457 -20.994 1.00 34.24 H new ATOM 0 HG12 VAL A 19 -4.827 1.638 -22.759 1.00 34.24 H new ATOM 0 HG13 VAL A 19 -5.498 0.140 -22.071 1.00 34.24 H new ATOM 0 HG21 VAL A 19 -3.460 -0.058 -19.763 1.00 13.22 H new ATOM 0 HG22 VAL A 19 -3.919 -1.436 -20.791 1.00 13.22 H new ATOM 0 HG23 VAL A 19 -2.207 -0.977 -20.631 1.00 13.22 H new ATOM 300 N ALA A 20 -4.148 0.779 -24.985 1.00 53.15 N ATOM 301 CA ALA A 20 -4.245 1.714 -26.100 1.00 55.22 C ATOM 302 C ALA A 20 -4.669 3.098 -25.621 1.00 54.42 C ATOM 303 O ALA A 20 -4.896 3.311 -24.430 1.00 14.10 O ATOM 304 CB ALA A 20 -5.221 1.191 -27.143 1.00 72.22 C ATOM 0 H ALA A 20 -5.018 0.294 -24.765 1.00 53.15 H new ATOM 0 HA ALA A 20 -3.258 1.803 -26.555 1.00 55.22 H new ATOM 0 HB1 ALA A 20 -5.284 1.899 -27.970 1.00 72.22 H new ATOM 0 HB2 ALA A 20 -4.873 0.227 -27.516 1.00 72.22 H new ATOM 0 HB3 ALA A 20 -6.206 1.072 -26.692 1.00 72.22 H new ATOM 310 N VAL A 21 -4.774 4.036 -26.557 1.00 12.40 N ATOM 311 CA VAL A 21 -5.172 5.400 -26.230 1.00 53.14 C ATOM 312 C VAL A 21 -6.582 5.695 -26.727 1.00 61.41 C ATOM 313 O VAL A 21 -7.322 6.460 -26.110 1.00 73.43 O ATOM 314 CB VAL A 21 -4.198 6.429 -26.836 1.00 5.32 C ATOM 315 CG1 VAL A 21 -2.801 6.242 -26.267 1.00 52.34 C ATOM 316 CG2 VAL A 21 -4.185 6.319 -28.353 1.00 74.11 C ATOM 0 H VAL A 21 -4.589 3.876 -27.547 1.00 12.40 H new ATOM 0 HA VAL A 21 -5.149 5.485 -25.144 1.00 53.14 H new ATOM 0 HB VAL A 21 -4.540 7.429 -26.570 1.00 5.32 H new ATOM 0 HG11 VAL A 21 -2.128 6.978 -26.707 1.00 52.34 H new ATOM 0 HG12 VAL A 21 -2.828 6.375 -25.186 1.00 52.34 H new ATOM 0 HG13 VAL A 21 -2.445 5.239 -26.500 1.00 52.34 H new ATOM 0 HG21 VAL A 21 -3.492 7.053 -28.765 1.00 74.11 H new ATOM 0 HG22 VAL A 21 -3.867 5.317 -28.642 1.00 74.11 H new ATOM 0 HG23 VAL A 21 -5.186 6.508 -28.740 1.00 74.11 H new ATOM 396 N LYS A 28 -3.016 4.888 -31.490 1.00 24.13 N ATOM 397 CA LYS A 28 -1.750 4.829 -30.771 1.00 54.12 C ATOM 398 C LYS A 28 -1.923 4.141 -29.420 1.00 72.43 C ATOM 399 O LYS A 28 -3.030 3.750 -29.049 1.00 52.34 O ATOM 400 CB LYS A 28 -1.187 6.238 -30.569 1.00 12.41 C ATOM 401 CG LYS A 28 0.211 6.421 -31.132 1.00 52.10 C ATOM 402 CD LYS A 28 0.285 7.620 -32.062 1.00 61.03 C ATOM 403 CE LYS A 28 1.213 7.356 -33.238 1.00 72.14 C ATOM 404 NZ LYS A 28 2.645 7.354 -32.825 1.00 44.40 N ATOM 0 HA LYS A 28 -1.049 4.247 -31.369 1.00 54.12 H new ATOM 0 HB2 LYS A 28 -1.856 6.958 -31.040 1.00 12.41 H new ATOM 0 HB3 LYS A 28 -1.173 6.465 -29.503 1.00 12.41 H new ATOM 0 HG2 LYS A 28 0.920 6.550 -30.314 1.00 52.10 H new ATOM 0 HG3 LYS A 28 0.507 5.522 -31.672 1.00 52.10 H new ATOM 0 HD2 LYS A 28 -0.713 7.858 -32.431 1.00 61.03 H new ATOM 0 HD3 LYS A 28 0.636 8.491 -31.508 1.00 61.03 H new ATOM 0 HE2 LYS A 28 0.964 6.395 -33.689 1.00 72.14 H new ATOM 0 HE3 LYS A 28 1.056 8.117 -34.002 1.00 72.14 H new ATOM 0 HZ1 LYS A 28 3.245 7.171 -33.654 1.00 44.40 H new ATOM 0 HZ2 LYS A 28 2.890 8.279 -32.418 1.00 44.40 H new ATOM 0 HZ3 LYS A 28 2.800 6.611 -32.114 1.00 44.40 H new ATOM 418 N LYS A 29 -0.823 3.998 -28.689 1.00 74.24 N ATOM 419 CA LYS A 29 -0.853 3.360 -27.378 1.00 13.10 C ATOM 420 C LYS A 29 -0.369 4.319 -26.295 1.00 70.54 C ATOM 421 O LYS A 29 0.355 5.275 -26.576 1.00 50.44 O ATOM 422 CB LYS A 29 0.015 2.099 -27.382 1.00 64.32 C ATOM 423 CG LYS A 29 -0.715 0.861 -27.875 1.00 71.42 C ATOM 424 CD LYS A 29 0.248 -0.284 -28.140 1.00 2.41 C ATOM 425 CE LYS A 29 -0.491 -1.551 -28.545 1.00 12.33 C ATOM 426 NZ LYS A 29 -0.259 -2.660 -27.578 1.00 5.13 N ATOM 0 H LYS A 29 0.101 4.315 -28.982 1.00 74.24 H new ATOM 0 HA LYS A 29 -1.884 3.084 -27.160 1.00 13.10 H new ATOM 0 HB2 LYS A 29 0.888 2.271 -28.011 1.00 64.32 H new ATOM 0 HB3 LYS A 29 0.381 1.917 -26.372 1.00 64.32 H new ATOM 0 HG2 LYS A 29 -1.453 0.553 -27.134 1.00 71.42 H new ATOM 0 HG3 LYS A 29 -1.260 1.098 -28.789 1.00 71.42 H new ATOM 0 HD2 LYS A 29 0.945 0.000 -28.929 1.00 2.41 H new ATOM 0 HD3 LYS A 29 0.840 -0.477 -27.246 1.00 2.41 H new ATOM 0 HE2 LYS A 29 -1.559 -1.344 -28.611 1.00 12.33 H new ATOM 0 HE3 LYS A 29 -0.165 -1.860 -29.538 1.00 12.33 H new ATOM 0 HZ1 LYS A 29 -0.779 -3.506 -27.888 1.00 5.13 H new ATOM 0 HZ2 LYS A 29 0.758 -2.875 -27.534 1.00 5.13 H new ATOM 0 HZ3 LYS A 29 -0.594 -2.374 -26.636 1.00 5.13 H new ATOM 440 N PHE A 30 -0.772 4.058 -25.057 1.00 54.13 N ATOM 441 CA PHE A 30 -0.378 4.898 -23.931 1.00 4.40 C ATOM 442 C PHE A 30 1.135 5.083 -23.894 1.00 31.13 C ATOM 443 O PHE A 30 1.893 4.131 -24.070 1.00 70.24 O ATOM 444 CB PHE A 30 -0.861 4.283 -22.615 1.00 52.55 C ATOM 445 CG PHE A 30 -1.632 5.240 -21.752 1.00 64.33 C ATOM 446 CD1 PHE A 30 -1.128 5.651 -20.529 1.00 21.20 C ATOM 447 CD2 PHE A 30 -2.860 5.730 -22.165 1.00 5.31 C ATOM 448 CE1 PHE A 30 -1.835 6.533 -19.734 1.00 13.01 C ATOM 449 CE2 PHE A 30 -3.572 6.612 -21.374 1.00 61.35 C ATOM 450 CZ PHE A 30 -3.059 7.013 -20.156 1.00 45.34 C ATOM 0 H PHE A 30 -1.371 3.272 -24.807 1.00 54.13 H new ATOM 0 HA PHE A 30 -0.843 5.876 -24.059 1.00 4.40 H new ATOM 0 HB2 PHE A 30 -1.488 3.419 -22.836 1.00 52.55 H new ATOM 0 HB3 PHE A 30 0.001 3.917 -22.057 1.00 52.55 H new ATOM 0 HD1 PHE A 30 -0.172 5.278 -20.193 1.00 21.20 H new ATOM 0 HD2 PHE A 30 -3.266 5.419 -23.116 1.00 5.31 H new ATOM 0 HE1 PHE A 30 -1.430 6.847 -18.783 1.00 13.01 H new ATOM 0 HE2 PHE A 30 -4.528 6.987 -21.708 1.00 61.35 H new ATOM 0 HZ PHE A 30 -3.614 7.701 -19.535 1.00 45.34 H new ATOM 460 N GLY A 31 1.568 6.320 -23.664 1.00 52.45 N ATOM 461 CA GLY A 31 2.989 6.609 -23.608 1.00 71.23 C ATOM 462 C GLY A 31 3.470 6.888 -22.199 1.00 15.15 C ATOM 463 O GLY A 31 2.663 7.062 -21.285 1.00 72.33 O ATOM 0 H GLY A 31 0.960 7.126 -23.516 1.00 52.45 H new ATOM 0 HA2 GLY A 31 3.544 5.765 -24.017 1.00 71.23 H new ATOM 0 HA3 GLY A 31 3.206 7.470 -24.240 1.00 71.23 H new ATOM 467 N GLU A 32 4.786 6.929 -22.020 1.00 24.41 N ATOM 468 CA GLU A 32 5.372 7.187 -20.710 1.00 20.21 C ATOM 469 C GLU A 32 5.187 8.648 -20.309 1.00 13.30 C ATOM 470 O GLU A 32 4.636 8.947 -19.249 1.00 65.24 O ATOM 471 CB GLU A 32 6.860 6.831 -20.712 1.00 65.33 C ATOM 472 CG GLU A 32 7.152 5.436 -21.236 1.00 5.42 C ATOM 473 CD GLU A 32 7.702 5.445 -22.650 1.00 32.24 C ATOM 474 OE1 GLU A 32 8.620 4.648 -22.934 1.00 34.51 O ATOM 475 OE2 GLU A 32 7.214 6.250 -23.471 1.00 54.12 O ATOM 0 H GLU A 32 5.467 6.787 -22.766 1.00 24.41 H new ATOM 0 HA GLU A 32 4.858 6.560 -19.981 1.00 20.21 H new ATOM 0 HB2 GLU A 32 7.398 7.558 -21.320 1.00 65.33 H new ATOM 0 HB3 GLU A 32 7.247 6.917 -19.696 1.00 65.33 H new ATOM 0 HG2 GLU A 32 7.868 4.947 -20.575 1.00 5.42 H new ATOM 0 HG3 GLU A 32 6.237 4.844 -21.210 1.00 5.42 H new ATOM 482 N GLY A 33 5.653 9.553 -21.164 1.00 13.34 N ATOM 483 CA GLY A 33 5.530 10.971 -20.881 1.00 20.32 C ATOM 484 C GLY A 33 4.109 11.375 -20.543 1.00 10.55 C ATOM 485 O GLY A 33 3.887 12.297 -19.759 1.00 72.24 O ATOM 0 H GLY A 33 6.113 9.330 -22.047 1.00 13.34 H new ATOM 0 HA2 GLY A 33 6.185 11.230 -20.050 1.00 20.32 H new ATOM 0 HA3 GLY A 33 5.871 11.541 -21.745 1.00 20.32 H new ATOM 489 N ASN A 34 3.141 10.682 -21.136 1.00 74.43 N ATOM 490 CA ASN A 34 1.733 10.975 -20.894 1.00 60.34 C ATOM 491 C ASN A 34 1.305 10.488 -19.514 1.00 34.34 C ATOM 492 O ASN A 34 0.907 11.280 -18.660 1.00 20.25 O ATOM 493 CB ASN A 34 0.864 10.322 -21.970 1.00 1.44 C ATOM 494 CG ASN A 34 0.186 11.342 -22.864 1.00 34.01 C ATOM 495 OD1 ASN A 34 0.849 12.139 -23.528 1.00 22.03 O ATOM 496 ND2 ASN A 34 -1.142 11.323 -22.884 1.00 50.45 N ATOM 0 H ASN A 34 3.306 9.914 -21.787 1.00 74.43 H new ATOM 0 HA ASN A 34 1.600 12.056 -20.935 1.00 60.34 H new ATOM 0 HB2 ASN A 34 1.481 9.662 -22.580 1.00 1.44 H new ATOM 0 HB3 ASN A 34 0.106 9.700 -21.493 1.00 1.44 H new ATOM 0 HD21 ASN A 34 -1.653 11.987 -23.466 1.00 50.45 H new ATOM 0 HD22 ASN A 34 -1.651 10.645 -22.317 1.00 50.45 H new ATOM 503 N PHE A 35 1.392 9.179 -19.301 1.00 2.42 N ATOM 504 CA PHE A 35 1.013 8.586 -18.024 1.00 54.02 C ATOM 505 C PHE A 35 1.715 9.290 -16.867 1.00 35.14 C ATOM 506 O PHE A 35 1.174 9.388 -15.766 1.00 11.12 O ATOM 507 CB PHE A 35 1.355 7.094 -18.010 1.00 14.40 C ATOM 508 CG PHE A 35 1.475 6.520 -16.626 1.00 64.11 C ATOM 509 CD1 PHE A 35 2.717 6.220 -16.092 1.00 3.31 C ATOM 510 CD2 PHE A 35 0.345 6.280 -15.862 1.00 0.24 C ATOM 511 CE1 PHE A 35 2.831 5.691 -14.820 1.00 13.33 C ATOM 512 CE2 PHE A 35 0.452 5.753 -14.589 1.00 53.35 C ATOM 513 CZ PHE A 35 1.697 5.457 -14.068 1.00 1.42 C ATOM 0 H PHE A 35 1.721 8.509 -19.996 1.00 2.42 H new ATOM 0 HA PHE A 35 -0.063 8.707 -17.901 1.00 54.02 H new ATOM 0 HB2 PHE A 35 0.586 6.548 -18.556 1.00 14.40 H new ATOM 0 HB3 PHE A 35 2.294 6.939 -18.542 1.00 14.40 H new ATOM 0 HD1 PHE A 35 3.607 6.401 -16.676 1.00 3.31 H new ATOM 0 HD2 PHE A 35 -0.631 6.507 -16.266 1.00 0.24 H new ATOM 0 HE1 PHE A 35 3.805 5.461 -14.415 1.00 13.33 H new ATOM 0 HE2 PHE A 35 -0.436 5.573 -14.002 1.00 53.35 H new ATOM 0 HZ PHE A 35 1.783 5.043 -13.074 1.00 1.42 H new ATOM 523 N ARG A 36 2.923 9.780 -17.126 1.00 31.41 N ATOM 524 CA ARG A 36 3.700 10.475 -16.106 1.00 71.11 C ATOM 525 C ARG A 36 3.067 11.820 -15.763 1.00 32.32 C ATOM 526 O ARG A 36 2.640 12.045 -14.630 1.00 52.04 O ATOM 527 CB ARG A 36 5.139 10.683 -16.585 1.00 5.44 C ATOM 528 CG ARG A 36 6.144 9.764 -15.910 1.00 21.22 C ATOM 529 CD ARG A 36 7.450 9.702 -16.686 1.00 33.33 C ATOM 530 NE ARG A 36 8.463 10.592 -16.124 1.00 24.22 N ATOM 531 CZ ARG A 36 9.736 10.589 -16.503 1.00 61.04 C ATOM 532 NH1 ARG A 36 10.150 9.748 -17.440 1.00 40.21 N ATOM 533 NH2 ARG A 36 10.598 11.429 -15.944 1.00 24.11 N ATOM 0 H ARG A 36 3.385 9.709 -18.033 1.00 31.41 H new ATOM 0 HA ARG A 36 3.709 9.858 -15.208 1.00 71.11 H new ATOM 0 HB2 ARG A 36 5.181 10.524 -17.663 1.00 5.44 H new ATOM 0 HB3 ARG A 36 5.427 11.718 -16.404 1.00 5.44 H new ATOM 0 HG2 ARG A 36 6.338 10.116 -14.897 1.00 21.22 H new ATOM 0 HG3 ARG A 36 5.723 8.762 -15.824 1.00 21.22 H new ATOM 0 HD2 ARG A 36 7.825 8.679 -16.684 1.00 33.33 H new ATOM 0 HD3 ARG A 36 7.267 9.972 -17.726 1.00 33.33 H new ATOM 0 HE ARG A 36 8.177 11.252 -15.401 1.00 24.22 H new ATOM 0 HH11 ARG A 36 9.490 9.101 -17.872 1.00 40.21 H new ATOM 0 HH12 ARG A 36 11.128 9.748 -17.729 1.00 40.21 H new ATOM 0 HH21 ARG A 36 10.283 12.078 -15.223 1.00 24.11 H new ATOM 0 HH22 ARG A 36 11.575 11.426 -16.236 1.00 24.11 H new ATOM 547 N TRP A 37 3.012 12.709 -16.747 1.00 21.54 N ATOM 548 CA TRP A 37 2.431 14.033 -16.549 1.00 14.22 C ATOM 549 C TRP A 37 0.996 13.929 -16.047 1.00 53.50 C ATOM 550 O TRP A 37 0.477 14.854 -15.424 1.00 61.12 O ATOM 551 CB TRP A 37 2.472 14.831 -17.853 1.00 74.22 C ATOM 552 CG TRP A 37 1.596 16.048 -17.833 1.00 74.13 C ATOM 553 CD1 TRP A 37 1.983 17.330 -17.567 1.00 24.23 C ATOM 554 CD2 TRP A 37 0.188 16.094 -18.086 1.00 63.13 C ATOM 555 NE1 TRP A 37 0.898 18.172 -17.640 1.00 64.32 N ATOM 556 CE2 TRP A 37 -0.214 17.438 -17.958 1.00 44.21 C ATOM 557 CE3 TRP A 37 -0.771 15.132 -18.411 1.00 1.02 C ATOM 558 CZ2 TRP A 37 -1.534 17.840 -18.143 1.00 73.44 C ATOM 559 CZ3 TRP A 37 -2.081 15.533 -18.594 1.00 52.33 C ATOM 560 CH2 TRP A 37 -2.453 16.877 -18.460 1.00 22.03 C ATOM 0 H TRP A 37 3.362 12.538 -17.690 1.00 21.54 H new ATOM 0 HA TRP A 37 3.022 14.552 -15.795 1.00 14.22 H new ATOM 0 HB2 TRP A 37 3.500 15.135 -18.052 1.00 74.22 H new ATOM 0 HB3 TRP A 37 2.165 14.185 -18.676 1.00 74.22 H new ATOM 0 HD1 TRP A 37 2.992 17.637 -17.334 1.00 24.23 H new ATOM 0 HE1 TRP A 37 0.918 19.180 -17.483 1.00 64.32 H new ATOM 0 HE3 TRP A 37 -0.494 14.094 -18.517 1.00 1.02 H new ATOM 0 HZ2 TRP A 37 -1.823 18.876 -18.040 1.00 73.44 H new ATOM 0 HZ3 TRP A 37 -2.831 14.797 -18.845 1.00 52.33 H new ATOM 0 HH2 TRP A 37 -3.485 17.158 -18.610 1.00 22.03 H new ATOM 571 N ALA A 38 0.359 12.795 -16.322 1.00 4.25 N ATOM 572 CA ALA A 38 -1.018 12.569 -15.897 1.00 72.00 C ATOM 573 C ALA A 38 -1.089 12.287 -14.399 1.00 25.23 C ATOM 574 O ALA A 38 -1.644 13.078 -13.636 1.00 13.42 O ATOM 575 CB ALA A 38 -1.632 11.420 -16.682 1.00 62.43 C ATOM 0 H ALA A 38 0.774 12.019 -16.837 1.00 4.25 H new ATOM 0 HA ALA A 38 -1.588 13.476 -16.098 1.00 72.00 H new ATOM 0 HB1 ALA A 38 -2.660 11.263 -16.354 1.00 62.43 H new ATOM 0 HB2 ALA A 38 -1.623 11.660 -17.745 1.00 62.43 H new ATOM 0 HB3 ALA A 38 -1.054 10.512 -16.510 1.00 62.43 H new ATOM 581 N ILE A 39 -0.526 11.156 -13.987 1.00 64.42 N ATOM 582 CA ILE A 39 -0.527 10.771 -12.582 1.00 31.51 C ATOM 583 C ILE A 39 0.203 11.804 -11.728 1.00 43.11 C ATOM 584 O ILE A 39 -0.196 12.083 -10.598 1.00 52.25 O ATOM 585 CB ILE A 39 0.130 9.394 -12.375 1.00 12.52 C ATOM 586 CG1 ILE A 39 1.569 9.407 -12.896 1.00 32.35 C ATOM 587 CG2 ILE A 39 -0.681 8.311 -13.071 1.00 32.02 C ATOM 588 CD1 ILE A 39 2.603 9.607 -11.810 1.00 51.51 C ATOM 0 H ILE A 39 -0.064 10.491 -14.607 1.00 64.42 H new ATOM 0 HA ILE A 39 -1.570 10.717 -12.271 1.00 31.51 H new ATOM 0 HB ILE A 39 0.152 9.175 -11.307 1.00 12.52 H new ATOM 0 HG12 ILE A 39 1.770 8.466 -13.409 1.00 32.35 H new ATOM 0 HG13 ILE A 39 1.672 10.201 -13.635 1.00 32.35 H new ATOM 0 HG21 ILE A 39 -0.204 7.343 -12.916 1.00 32.02 H new ATOM 0 HG22 ILE A 39 -1.689 8.289 -12.658 1.00 32.02 H new ATOM 0 HG23 ILE A 39 -0.731 8.524 -14.139 1.00 32.02 H new ATOM 0 HD11 ILE A 39 3.600 9.605 -12.252 1.00 51.51 H new ATOM 0 HD12 ILE A 39 2.428 10.561 -11.312 1.00 51.51 H new ATOM 0 HD13 ILE A 39 2.527 8.799 -11.082 1.00 51.51 H new ATOM 600 N ARG A 40 1.273 12.367 -12.279 1.00 24.05 N ATOM 601 CA ARG A 40 2.059 13.370 -11.568 1.00 64.42 C ATOM 602 C ARG A 40 1.229 14.622 -11.301 1.00 24.22 C ATOM 603 O ARG A 40 1.082 15.048 -10.157 1.00 55.11 O ATOM 604 CB ARG A 40 3.306 13.735 -12.374 1.00 72.52 C ATOM 605 CG ARG A 40 4.365 12.643 -12.387 1.00 32.12 C ATOM 606 CD ARG A 40 5.530 13.007 -13.294 1.00 3.11 C ATOM 607 NE ARG A 40 6.656 13.557 -12.546 1.00 41.34 N ATOM 608 CZ ARG A 40 7.695 14.155 -13.117 1.00 72.30 C ATOM 609 NH1 ARG A 40 7.750 14.282 -14.435 1.00 43.13 N ATOM 610 NH2 ARG A 40 8.683 14.631 -12.368 1.00 23.23 N ATOM 0 H ARG A 40 1.616 12.147 -13.214 1.00 24.05 H new ATOM 0 HA ARG A 40 2.363 12.946 -10.611 1.00 64.42 H new ATOM 0 HB2 ARG A 40 3.013 13.957 -13.400 1.00 72.52 H new ATOM 0 HB3 ARG A 40 3.741 14.646 -11.962 1.00 72.52 H new ATOM 0 HG2 ARG A 40 4.730 12.477 -11.373 1.00 32.12 H new ATOM 0 HG3 ARG A 40 3.920 11.707 -12.723 1.00 32.12 H new ATOM 0 HD2 ARG A 40 5.855 12.121 -13.839 1.00 3.11 H new ATOM 0 HD3 ARG A 40 5.198 13.734 -14.036 1.00 3.11 H new ATOM 0 HE ARG A 40 6.644 13.478 -11.529 1.00 41.34 H new ATOM 0 HH11 ARG A 40 6.993 13.920 -15.014 1.00 43.13 H new ATOM 0 HH12 ARG A 40 8.550 14.742 -14.870 1.00 43.13 H new ATOM 0 HH21 ARG A 40 8.644 14.537 -11.353 1.00 23.23 H new ATOM 0 HH22 ARG A 40 9.481 15.090 -12.808 1.00 23.23 H new ATOM 624 N MET A 41 0.689 15.207 -12.366 1.00 41.13 N ATOM 625 CA MET A 41 -0.126 16.409 -12.246 1.00 12.44 C ATOM 626 C MET A 41 -1.423 16.115 -11.497 1.00 72.25 C ATOM 627 O MET A 41 -2.005 17.001 -10.873 1.00 15.22 O ATOM 628 CB MET A 41 -0.442 16.979 -13.630 1.00 50.13 C ATOM 629 CG MET A 41 -1.122 18.337 -13.588 1.00 30.44 C ATOM 630 SD MET A 41 -0.171 19.616 -14.433 1.00 2.22 S ATOM 631 CE MET A 41 -0.328 20.974 -13.276 1.00 3.52 C ATOM 0 H MET A 41 0.802 14.867 -13.321 1.00 41.13 H new ATOM 0 HA MET A 41 0.442 17.146 -11.679 1.00 12.44 H new ATOM 0 HB2 MET A 41 0.484 17.063 -14.199 1.00 50.13 H new ATOM 0 HB3 MET A 41 -1.082 16.278 -14.165 1.00 50.13 H new ATOM 0 HG2 MET A 41 -2.108 18.260 -14.047 1.00 30.44 H new ATOM 0 HG3 MET A 41 -1.276 18.630 -12.549 1.00 30.44 H new ATOM 0 HE1 MET A 41 0.209 21.842 -13.659 1.00 3.52 H new ATOM 0 HE2 MET A 41 -1.381 21.225 -13.151 1.00 3.52 H new ATOM 0 HE3 MET A 41 0.093 20.682 -12.314 1.00 3.52 H new ATOM 641 N ALA A 42 -1.869 14.864 -11.564 1.00 72.55 N ATOM 642 CA ALA A 42 -3.094 14.453 -10.891 1.00 2.33 C ATOM 643 C ALA A 42 -2.976 14.625 -9.381 1.00 54.55 C ATOM 644 O ALA A 42 -3.811 15.273 -8.752 1.00 72.21 O ATOM 645 CB ALA A 42 -3.428 13.010 -11.237 1.00 74.11 C ATOM 0 H ALA A 42 -1.399 14.118 -12.078 1.00 72.55 H new ATOM 0 HA ALA A 42 -3.903 15.094 -11.240 1.00 2.33 H new ATOM 0 HB1 ALA A 42 -4.346 12.717 -10.727 1.00 74.11 H new ATOM 0 HB2 ALA A 42 -3.566 12.917 -12.314 1.00 74.11 H new ATOM 0 HB3 ALA A 42 -2.612 12.361 -10.918 1.00 74.11 H new ATOM 651 N ASN A 43 -1.932 14.036 -8.804 1.00 1.21 N ATOM 652 CA ASN A 43 -1.704 14.122 -7.366 1.00 4.14 C ATOM 653 C ASN A 43 -1.403 15.559 -6.948 1.00 1.31 C ATOM 654 O ASN A 43 -1.959 16.062 -5.971 1.00 61.22 O ATOM 655 CB ASN A 43 -0.549 13.207 -6.955 1.00 4.35 C ATOM 656 CG ASN A 43 -0.820 11.751 -7.283 1.00 24.24 C ATOM 657 OD1 ASN A 43 0.087 11.135 -8.032 1.00 74.32 O flip ATOM 658 ND2 ASN A 43 -1.834 11.188 -6.869 1.00 10.11 N flip ATOM 0 H ASN A 43 -1.231 13.495 -9.310 1.00 1.21 H new ATOM 0 HA ASN A 43 -2.613 13.797 -6.860 1.00 4.14 H new ATOM 0 HB2 ASN A 43 0.362 13.527 -7.461 1.00 4.35 H new ATOM 0 HB3 ASN A 43 -0.372 13.309 -5.884 1.00 4.35 H new ATOM 0 HD21 ASN A 43 -2.504 11.701 -6.296 1.00 10.11 H new ATOM 0 HD22 ASN A 43 -2.004 10.209 -7.099 1.00 10.11 H new ATOM 665 N VAL A 44 -0.521 16.214 -7.695 1.00 73.22 N ATOM 666 CA VAL A 44 -0.147 17.593 -7.404 1.00 40.51 C ATOM 667 C VAL A 44 -1.355 18.519 -7.485 1.00 52.11 C ATOM 668 O VAL A 44 -1.475 19.468 -6.711 1.00 5.11 O ATOM 669 CB VAL A 44 0.938 18.097 -8.374 1.00 70.13 C ATOM 670 CG1 VAL A 44 1.292 19.546 -8.073 1.00 43.44 C ATOM 671 CG2 VAL A 44 2.173 17.211 -8.297 1.00 30.40 C ATOM 0 H VAL A 44 -0.052 15.812 -8.507 1.00 73.22 H new ATOM 0 HA VAL A 44 0.249 17.606 -6.389 1.00 40.51 H new ATOM 0 HB VAL A 44 0.545 18.047 -9.390 1.00 70.13 H new ATOM 0 HG11 VAL A 44 2.060 19.885 -8.768 1.00 43.44 H new ATOM 0 HG12 VAL A 44 0.404 20.168 -8.182 1.00 43.44 H new ATOM 0 HG13 VAL A 44 1.666 19.625 -7.052 1.00 43.44 H new ATOM 0 HG21 VAL A 44 2.930 17.581 -8.989 1.00 30.40 H new ATOM 0 HG22 VAL A 44 2.570 17.227 -7.282 1.00 30.40 H new ATOM 0 HG23 VAL A 44 1.905 16.189 -8.565 1.00 30.40 H new ATOM 681 N SER A 45 -2.248 18.236 -8.428 1.00 5.14 N ATOM 682 CA SER A 45 -3.447 19.045 -8.613 1.00 32.21 C ATOM 683 C SER A 45 -4.352 18.964 -7.388 1.00 2.40 C ATOM 684 O SER A 45 -5.131 19.877 -7.113 1.00 43.01 O ATOM 685 CB SER A 45 -4.210 18.588 -9.857 1.00 1.43 C ATOM 686 OG SER A 45 -3.645 19.139 -11.033 1.00 64.04 O ATOM 0 H SER A 45 -2.164 17.453 -9.076 1.00 5.14 H new ATOM 0 HA SER A 45 -3.138 20.082 -8.746 1.00 32.21 H new ATOM 0 HB2 SER A 45 -4.194 17.500 -9.918 1.00 1.43 H new ATOM 0 HB3 SER A 45 -5.255 18.888 -9.777 1.00 1.43 H new ATOM 0 HG SER A 45 -2.971 18.525 -11.391 1.00 64.04 H new ATOM 692 N THR A 46 -4.246 17.860 -6.653 1.00 74.20 N ATOM 693 CA THR A 46 -5.054 17.656 -5.458 1.00 23.11 C ATOM 694 C THR A 46 -4.277 18.026 -4.200 1.00 13.43 C ATOM 695 O THR A 46 -4.567 17.529 -3.112 1.00 55.52 O ATOM 696 CB THR A 46 -5.530 16.196 -5.344 1.00 51.10 C ATOM 697 OG1 THR A 46 -4.450 15.304 -5.640 1.00 63.53 O ATOM 698 CG2 THR A 46 -6.690 15.929 -6.293 1.00 53.02 C ATOM 0 H THR A 46 -3.608 17.094 -6.866 1.00 74.20 H new ATOM 0 HA THR A 46 -5.924 18.307 -5.549 1.00 23.11 H new ATOM 0 HB THR A 46 -5.871 16.027 -4.322 1.00 51.10 H new ATOM 0 HG1 THR A 46 -3.599 15.733 -5.410 1.00 63.53 H new ATOM 0 HG21 THR A 46 -7.009 14.891 -6.195 1.00 53.02 H new ATOM 0 HG22 THR A 46 -7.521 16.589 -6.046 1.00 53.02 H new ATOM 0 HG23 THR A 46 -6.371 16.115 -7.319 1.00 53.02 H new ATOM 706 N GLY A 47 -3.289 18.901 -4.355 1.00 33.14 N ATOM 707 CA GLY A 47 -2.487 19.323 -3.220 1.00 41.33 C ATOM 708 C GLY A 47 -1.633 18.199 -2.665 1.00 4.32 C ATOM 709 O GLY A 47 -1.482 18.068 -1.451 1.00 50.31 O ATOM 0 H GLY A 47 -3.029 19.326 -5.245 1.00 33.14 H new ATOM 0 HA2 GLY A 47 -1.844 20.150 -3.521 1.00 41.33 H new ATOM 0 HA3 GLY A 47 -3.143 19.699 -2.435 1.00 41.33 H new ATOM 713 N ARG A 48 -1.076 17.386 -3.556 1.00 61.34 N ATOM 714 CA ARG A 48 -0.235 16.266 -3.148 1.00 22.43 C ATOM 715 C ARG A 48 1.130 16.336 -3.825 1.00 34.23 C ATOM 716 O ARG A 48 1.464 17.331 -4.468 1.00 65.10 O ATOM 717 CB ARG A 48 -0.917 14.940 -3.487 1.00 12.43 C ATOM 718 CG ARG A 48 -1.044 13.999 -2.300 1.00 73.44 C ATOM 719 CD ARG A 48 -1.904 12.791 -2.635 1.00 21.42 C ATOM 720 NE ARG A 48 -2.370 12.102 -1.434 1.00 4.42 N ATOM 721 CZ ARG A 48 -2.791 10.842 -1.428 1.00 74.31 C ATOM 722 NH1 ARG A 48 -2.802 10.137 -2.550 1.00 23.05 N ATOM 723 NH2 ARG A 48 -3.201 10.284 -0.295 1.00 62.50 N ATOM 0 H ARG A 48 -1.191 17.481 -4.565 1.00 61.34 H new ATOM 0 HA ARG A 48 -0.089 16.327 -2.069 1.00 22.43 H new ATOM 0 HB2 ARG A 48 -1.911 15.144 -3.886 1.00 12.43 H new ATOM 0 HB3 ARG A 48 -0.353 14.442 -4.276 1.00 12.43 H new ATOM 0 HG2 ARG A 48 -0.053 13.667 -1.990 1.00 73.44 H new ATOM 0 HG3 ARG A 48 -1.479 14.534 -1.456 1.00 73.44 H new ATOM 0 HD2 ARG A 48 -2.762 13.110 -3.226 1.00 21.42 H new ATOM 0 HD3 ARG A 48 -1.332 12.098 -3.252 1.00 21.42 H new ATOM 0 HE ARG A 48 -2.372 12.616 -0.553 1.00 4.42 H new ATOM 0 HH11 ARG A 48 -2.487 10.562 -3.422 1.00 23.05 H new ATOM 0 HH12 ARG A 48 -3.126 9.170 -2.541 1.00 23.05 H new ATOM 0 HH21 ARG A 48 -3.193 10.823 0.571 1.00 62.50 H new ATOM 0 HH22 ARG A 48 -3.524 9.317 -0.291 1.00 62.50 H new ATOM 773 N ASP A 52 3.432 10.537 -6.554 1.00 45.51 N ATOM 774 CA ASP A 52 2.469 9.845 -5.703 1.00 75.25 C ATOM 775 C ASP A 52 1.837 8.669 -6.442 1.00 75.14 C ATOM 776 O ASP A 52 0.674 8.728 -6.841 1.00 53.43 O ATOM 777 CB ASP A 52 1.383 10.813 -5.234 1.00 45.13 C ATOM 778 CG ASP A 52 1.692 11.418 -3.879 1.00 3.42 C ATOM 779 OD1 ASP A 52 2.303 10.721 -3.043 1.00 50.55 O ATOM 780 OD2 ASP A 52 1.322 12.590 -3.655 1.00 41.33 O ATOM 0 HA ASP A 52 3.001 9.460 -4.833 1.00 75.25 H new ATOM 0 HB2 ASP A 52 1.270 11.611 -5.968 1.00 45.13 H new ATOM 0 HB3 ASP A 52 0.429 10.288 -5.185 1.00 45.13 H new ATOM 785 N ILE A 53 2.612 7.604 -6.621 1.00 33.14 N ATOM 786 CA ILE A 53 2.127 6.415 -7.311 1.00 23.24 C ATOM 787 C ILE A 53 1.134 5.644 -6.448 1.00 53.11 C ATOM 788 O ILE A 53 1.365 5.397 -5.264 1.00 72.31 O ATOM 789 CB ILE A 53 3.286 5.479 -7.702 1.00 10.31 C ATOM 790 CG1 ILE A 53 4.293 6.220 -8.583 1.00 71.04 C ATOM 791 CG2 ILE A 53 2.753 4.247 -8.416 1.00 44.05 C ATOM 792 CD1 ILE A 53 3.730 6.639 -9.923 1.00 31.14 C ATOM 0 H ILE A 53 3.577 7.540 -6.298 1.00 33.14 H new ATOM 0 HA ILE A 53 1.627 6.758 -8.217 1.00 23.24 H new ATOM 0 HB ILE A 53 3.796 5.156 -6.794 1.00 10.31 H new ATOM 0 HG12 ILE A 53 4.645 7.105 -8.053 1.00 71.04 H new ATOM 0 HG13 ILE A 53 5.160 5.580 -8.746 1.00 71.04 H new ATOM 0 HG21 ILE A 53 3.584 3.595 -8.686 1.00 44.05 H new ATOM 0 HG22 ILE A 53 2.071 3.711 -7.756 1.00 44.05 H new ATOM 0 HG23 ILE A 53 2.222 4.551 -9.318 1.00 44.05 H new ATOM 0 HD11 ILE A 53 4.499 7.159 -10.494 1.00 31.14 H new ATOM 0 HD12 ILE A 53 3.404 5.756 -10.473 1.00 31.14 H new ATOM 0 HD13 ILE A 53 2.881 7.304 -9.769 1.00 31.14 H new ATOM 804 N PRO A 54 0.004 5.253 -7.052 1.00 3.25 N ATOM 805 CA PRO A 54 -1.047 4.501 -6.358 1.00 34.11 C ATOM 806 C PRO A 54 -0.616 3.077 -6.025 1.00 1.51 C ATOM 807 O PRO A 54 0.551 2.721 -6.177 1.00 43.12 O ATOM 808 CB PRO A 54 -2.200 4.490 -7.365 1.00 15.21 C ATOM 809 CG PRO A 54 -1.544 4.646 -8.693 1.00 50.01 C ATOM 810 CD PRO A 54 -0.338 5.513 -8.461 1.00 13.01 C ATOM 0 HA PRO A 54 -1.305 4.951 -5.400 1.00 34.11 H new ATOM 0 HB2 PRO A 54 -2.765 3.560 -7.309 1.00 15.21 H new ATOM 0 HB3 PRO A 54 -2.902 5.301 -7.172 1.00 15.21 H new ATOM 0 HG2 PRO A 54 -1.255 3.678 -9.102 1.00 50.01 H new ATOM 0 HG3 PRO A 54 -2.222 5.106 -9.412 1.00 50.01 H new ATOM 0 HD2 PRO A 54 0.482 5.248 -9.129 1.00 13.01 H new ATOM 0 HD3 PRO A 54 -0.561 6.566 -8.633 1.00 13.01 H new ATOM 818 N GLU A 55 -1.568 2.267 -5.570 1.00 31.13 N ATOM 819 CA GLU A 55 -1.286 0.882 -5.215 1.00 54.14 C ATOM 820 C GLU A 55 -2.578 0.106 -4.978 1.00 34.50 C ATOM 821 O GLU A 55 -2.693 -1.062 -5.352 1.00 15.14 O ATOM 822 CB GLU A 55 -0.405 0.822 -3.965 1.00 13.34 C ATOM 823 CG GLU A 55 -1.023 1.497 -2.751 1.00 43.13 C ATOM 824 CD GLU A 55 0.015 2.110 -1.833 1.00 51.33 C ATOM 825 OE1 GLU A 55 -0.067 3.329 -1.573 1.00 24.12 O ATOM 826 OE2 GLU A 55 0.911 1.371 -1.372 1.00 23.22 O ATOM 0 H GLU A 55 -2.540 2.547 -5.439 1.00 31.13 H new ATOM 0 HA GLU A 55 -0.755 0.422 -6.048 1.00 54.14 H new ATOM 0 HB2 GLU A 55 -0.200 -0.221 -3.725 1.00 13.34 H new ATOM 0 HB3 GLU A 55 0.553 1.293 -4.183 1.00 13.34 H new ATOM 0 HG2 GLU A 55 -1.712 2.273 -3.083 1.00 43.13 H new ATOM 0 HG3 GLU A 55 -1.610 0.767 -2.193 1.00 43.13 H new ATOM 833 N THR A 56 -3.551 0.764 -4.354 1.00 33.52 N ATOM 834 CA THR A 56 -4.834 0.138 -4.065 1.00 3.40 C ATOM 835 C THR A 56 -5.953 0.775 -4.881 1.00 30.33 C ATOM 836 O THR A 56 -5.943 1.982 -5.133 1.00 74.21 O ATOM 837 CB THR A 56 -5.184 0.238 -2.568 1.00 24.41 C ATOM 838 OG1 THR A 56 -5.558 1.581 -2.242 1.00 62.33 O ATOM 839 CG2 THR A 56 -4.006 -0.190 -1.708 1.00 14.03 C ATOM 0 H THR A 56 -3.474 1.731 -4.039 1.00 33.52 H new ATOM 0 HA THR A 56 -4.741 -0.913 -4.339 1.00 3.40 H new ATOM 0 HB THR A 56 -6.021 -0.430 -2.367 1.00 24.41 H new ATOM 0 HG1 THR A 56 -5.781 1.636 -1.289 1.00 62.33 H new ATOM 0 HG21 THR A 56 -4.277 -0.111 -0.655 1.00 14.03 H new ATOM 0 HG22 THR A 56 -3.743 -1.222 -1.939 1.00 14.03 H new ATOM 0 HG23 THR A 56 -3.152 0.456 -1.913 1.00 14.03 H new ATOM 847 N LEU A 57 -6.918 -0.040 -5.292 1.00 13.14 N ATOM 848 CA LEU A 57 -8.045 0.445 -6.079 1.00 25.03 C ATOM 849 C LEU A 57 -8.708 1.642 -5.403 1.00 63.24 C ATOM 850 O LEU A 57 -9.197 2.553 -6.071 1.00 30.41 O ATOM 851 CB LEU A 57 -9.071 -0.672 -6.282 1.00 31.13 C ATOM 852 CG LEU A 57 -9.953 -0.556 -7.524 1.00 4.34 C ATOM 853 CD1 LEU A 57 -10.308 -1.935 -8.058 1.00 41.31 C ATOM 854 CD2 LEU A 57 -11.215 0.237 -7.210 1.00 40.53 C ATOM 0 H LEU A 57 -6.942 -1.040 -5.093 1.00 13.14 H new ATOM 0 HA LEU A 57 -7.666 0.763 -7.050 1.00 25.03 H new ATOM 0 HB2 LEU A 57 -8.539 -1.622 -6.326 1.00 31.13 H new ATOM 0 HB3 LEU A 57 -9.717 -0.708 -5.405 1.00 31.13 H new ATOM 0 HG LEU A 57 -9.394 -0.023 -8.294 1.00 4.34 H new ATOM 0 HD11 LEU A 57 -10.937 -1.832 -8.943 1.00 41.31 H new ATOM 0 HD12 LEU A 57 -9.395 -2.469 -8.322 1.00 41.31 H new ATOM 0 HD13 LEU A 57 -10.847 -2.494 -7.293 1.00 41.31 H new ATOM 0 HD21 LEU A 57 -11.831 0.310 -8.106 1.00 40.53 H new ATOM 0 HD22 LEU A 57 -11.776 -0.268 -6.424 1.00 40.53 H new ATOM 0 HD23 LEU A 57 -10.942 1.238 -6.875 1.00 40.53 H new ATOM 866 N ASP A 58 -8.717 1.633 -4.075 1.00 23.43 N ATOM 867 CA ASP A 58 -9.316 2.719 -3.307 1.00 43.11 C ATOM 868 C ASP A 58 -8.543 4.018 -3.510 1.00 61.31 C ATOM 869 O ASP A 58 -9.135 5.079 -3.707 1.00 22.14 O ATOM 870 CB ASP A 58 -9.355 2.360 -1.821 1.00 22.12 C ATOM 871 CG ASP A 58 -10.565 1.523 -1.459 1.00 41.11 C ATOM 872 OD1 ASP A 58 -10.745 0.445 -2.066 1.00 34.50 O ATOM 873 OD2 ASP A 58 -11.333 1.943 -0.568 1.00 55.03 O ATOM 0 H ASP A 58 -8.316 0.886 -3.507 1.00 23.43 H new ATOM 0 HA ASP A 58 -10.336 2.865 -3.664 1.00 43.11 H new ATOM 0 HB2 ASP A 58 -8.448 1.815 -1.558 1.00 22.12 H new ATOM 0 HB3 ASP A 58 -9.360 3.275 -1.229 1.00 22.12 H new ATOM 878 N GLN A 59 -7.218 3.926 -3.459 1.00 33.33 N ATOM 879 CA GLN A 59 -6.364 5.096 -3.635 1.00 43.32 C ATOM 880 C GLN A 59 -6.599 5.740 -4.997 1.00 61.05 C ATOM 881 O GLN A 59 -6.669 6.965 -5.113 1.00 41.41 O ATOM 882 CB GLN A 59 -4.893 4.706 -3.488 1.00 22.21 C ATOM 883 CG GLN A 59 -4.061 5.739 -2.747 1.00 32.20 C ATOM 884 CD GLN A 59 -2.740 5.182 -2.255 1.00 71.11 C ATOM 885 OE1 GLN A 59 -1.672 5.674 -2.617 1.00 73.33 O ATOM 886 NE2 GLN A 59 -2.806 4.148 -1.423 1.00 61.23 N ATOM 0 H GLN A 59 -6.713 3.055 -3.297 1.00 33.33 H new ATOM 0 HA GLN A 59 -6.619 5.821 -2.862 1.00 43.32 H new ATOM 0 HB2 GLN A 59 -4.829 3.754 -2.961 1.00 22.21 H new ATOM 0 HB3 GLN A 59 -4.466 4.551 -4.479 1.00 22.21 H new ATOM 0 HG2 GLN A 59 -3.871 6.586 -3.406 1.00 32.20 H new ATOM 0 HG3 GLN A 59 -4.630 6.117 -1.898 1.00 32.20 H new ATOM 0 HE21 GLN A 59 -3.713 3.771 -1.149 1.00 61.23 H new ATOM 0 HE22 GLN A 59 -1.949 3.731 -1.059 1.00 61.23 H new ATOM 895 N LEU A 60 -6.718 4.909 -6.027 1.00 75.14 N ATOM 896 CA LEU A 60 -6.943 5.397 -7.382 1.00 65.12 C ATOM 897 C LEU A 60 -8.324 6.031 -7.510 1.00 63.42 C ATOM 898 O LEU A 60 -8.458 7.166 -7.969 1.00 71.32 O ATOM 899 CB LEU A 60 -6.799 4.254 -8.388 1.00 41.22 C ATOM 900 CG LEU A 60 -5.499 3.451 -8.313 1.00 33.54 C ATOM 901 CD1 LEU A 60 -5.787 1.960 -8.370 1.00 23.11 C ATOM 902 CD2 LEU A 60 -4.555 3.859 -9.434 1.00 22.20 C ATOM 0 H LEU A 60 -6.662 3.894 -5.949 1.00 75.14 H new ATOM 0 HA LEU A 60 -6.193 6.158 -7.597 1.00 65.12 H new ATOM 0 HB2 LEU A 60 -7.635 3.568 -8.250 1.00 41.22 H new ATOM 0 HB3 LEU A 60 -6.889 4.668 -9.392 1.00 41.22 H new ATOM 0 HG LEU A 60 -5.015 3.668 -7.361 1.00 33.54 H new ATOM 0 HD11 LEU A 60 -4.850 1.406 -8.315 1.00 23.11 H new ATOM 0 HD12 LEU A 60 -6.423 1.680 -7.531 1.00 23.11 H new ATOM 0 HD13 LEU A 60 -6.295 1.723 -9.305 1.00 23.11 H new ATOM 0 HD21 LEU A 60 -3.636 3.278 -9.365 1.00 22.20 H new ATOM 0 HD22 LEU A 60 -5.031 3.672 -10.397 1.00 22.20 H new ATOM 0 HD23 LEU A 60 -4.321 4.920 -9.345 1.00 22.20 H new ATOM 914 N ARG A 61 -9.349 5.291 -7.100 1.00 25.31 N ATOM 915 CA ARG A 61 -10.720 5.782 -7.167 1.00 43.01 C ATOM 916 C ARG A 61 -10.870 7.087 -6.392 1.00 74.11 C ATOM 917 O ARG A 61 -11.772 7.883 -6.662 1.00 54.32 O ATOM 918 CB ARG A 61 -11.687 4.734 -6.613 1.00 41.22 C ATOM 919 CG ARG A 61 -13.151 5.087 -6.818 1.00 54.32 C ATOM 920 CD ARG A 61 -14.052 4.288 -5.889 1.00 70.14 C ATOM 921 NE ARG A 61 -14.865 5.152 -5.036 1.00 71.55 N ATOM 922 CZ ARG A 61 -15.640 4.700 -4.058 1.00 12.02 C ATOM 923 NH1 ARG A 61 -15.709 3.400 -3.810 1.00 54.42 N ATOM 924 NH2 ARG A 61 -16.349 5.548 -3.325 1.00 23.43 N ATOM 0 H ARG A 61 -9.256 4.350 -6.718 1.00 25.31 H new ATOM 0 HA ARG A 61 -10.960 5.972 -8.213 1.00 43.01 H new ATOM 0 HB2 ARG A 61 -11.483 3.776 -7.090 1.00 41.22 H new ATOM 0 HB3 ARG A 61 -11.499 4.606 -5.547 1.00 41.22 H new ATOM 0 HG2 ARG A 61 -13.298 6.153 -6.641 1.00 54.32 H new ATOM 0 HG3 ARG A 61 -13.431 4.894 -7.853 1.00 54.32 H new ATOM 0 HD2 ARG A 61 -14.704 3.646 -6.481 1.00 70.14 H new ATOM 0 HD3 ARG A 61 -13.441 3.635 -5.266 1.00 70.14 H new ATOM 0 HE ARG A 61 -14.835 6.158 -5.201 1.00 71.55 H new ATOM 0 HH11 ARG A 61 -15.166 2.744 -4.371 1.00 54.42 H new ATOM 0 HH12 ARG A 61 -16.305 3.055 -3.058 1.00 54.42 H new ATOM 0 HH21 ARG A 61 -16.299 6.549 -3.513 1.00 23.43 H new ATOM 0 HH22 ARG A 61 -16.944 5.199 -2.574 1.00 23.43 H new ATOM 938 N LEU A 62 -9.981 7.303 -5.428 1.00 41.54 N ATOM 939 CA LEU A 62 -10.013 8.511 -4.613 1.00 2.42 C ATOM 940 C LEU A 62 -9.496 9.712 -5.398 1.00 45.30 C ATOM 941 O LEU A 62 -10.216 10.688 -5.607 1.00 3.50 O ATOM 942 CB LEU A 62 -9.179 8.318 -3.346 1.00 14.13 C ATOM 943 CG LEU A 62 -9.581 9.168 -2.140 1.00 2.44 C ATOM 944 CD1 LEU A 62 -9.400 10.647 -2.445 1.00 52.14 C ATOM 945 CD2 LEU A 62 -11.021 8.878 -1.740 1.00 44.23 C ATOM 0 H LEU A 62 -9.229 6.656 -5.192 1.00 41.54 H new ATOM 0 HA LEU A 62 -11.049 8.702 -4.333 1.00 2.42 H new ATOM 0 HB2 LEU A 62 -9.230 7.268 -3.058 1.00 14.13 H new ATOM 0 HB3 LEU A 62 -8.137 8.532 -3.585 1.00 14.13 H new ATOM 0 HG LEU A 62 -8.932 8.908 -1.304 1.00 2.44 H new ATOM 0 HD11 LEU A 62 -9.691 11.236 -1.575 1.00 52.14 H new ATOM 0 HD12 LEU A 62 -8.355 10.844 -2.684 1.00 52.14 H new ATOM 0 HD13 LEU A 62 -10.024 10.922 -3.295 1.00 52.14 H new ATOM 0 HD21 LEU A 62 -11.290 9.491 -0.880 1.00 44.23 H new ATOM 0 HD22 LEU A 62 -11.684 9.110 -2.573 1.00 44.23 H new ATOM 0 HD23 LEU A 62 -11.121 7.824 -1.479 1.00 44.23 H new ATOM 957 N VAL A 63 -8.243 9.632 -5.835 1.00 75.33 N ATOM 958 CA VAL A 63 -7.629 10.711 -6.600 1.00 4.30 C ATOM 959 C VAL A 63 -8.480 11.077 -7.812 1.00 73.04 C ATOM 960 O VAL A 63 -8.475 12.222 -8.263 1.00 15.34 O ATOM 961 CB VAL A 63 -6.216 10.327 -7.076 1.00 74.22 C ATOM 962 CG1 VAL A 63 -5.274 10.183 -5.890 1.00 64.41 C ATOM 963 CG2 VAL A 63 -6.258 9.044 -7.892 1.00 2.32 C ATOM 0 H VAL A 63 -7.633 8.831 -5.672 1.00 75.33 H new ATOM 0 HA VAL A 63 -7.559 11.572 -5.935 1.00 4.30 H new ATOM 0 HB VAL A 63 -5.838 11.125 -7.716 1.00 74.22 H new ATOM 0 HG11 VAL A 63 -4.280 9.911 -6.246 1.00 64.41 H new ATOM 0 HG12 VAL A 63 -5.221 11.129 -5.351 1.00 64.41 H new ATOM 0 HG13 VAL A 63 -5.646 9.405 -5.223 1.00 64.41 H new ATOM 0 HG21 VAL A 63 -5.250 8.788 -8.220 1.00 2.32 H new ATOM 0 HG22 VAL A 63 -6.656 8.236 -7.279 1.00 2.32 H new ATOM 0 HG23 VAL A 63 -6.897 9.188 -8.763 1.00 2.32 H new ATOM 973 N ILE A 64 -9.209 10.097 -8.334 1.00 51.44 N ATOM 974 CA ILE A 64 -10.066 10.316 -9.492 1.00 72.10 C ATOM 975 C ILE A 64 -11.308 11.115 -9.114 1.00 54.33 C ATOM 976 O ILE A 64 -11.639 12.110 -9.760 1.00 13.02 O ATOM 977 CB ILE A 64 -10.500 8.984 -10.131 1.00 4.40 C ATOM 978 CG1 ILE A 64 -9.277 8.189 -10.592 1.00 30.54 C ATOM 979 CG2 ILE A 64 -11.443 9.239 -11.298 1.00 51.50 C ATOM 980 CD1 ILE A 64 -9.505 6.695 -10.630 1.00 13.44 C ATOM 0 H ILE A 64 -9.223 9.143 -7.973 1.00 51.44 H new ATOM 0 HA ILE A 64 -9.480 10.882 -10.216 1.00 72.10 H new ATOM 0 HB ILE A 64 -11.030 8.396 -9.382 1.00 4.40 H new ATOM 0 HG12 ILE A 64 -8.987 8.529 -11.586 1.00 30.54 H new ATOM 0 HG13 ILE A 64 -8.442 8.404 -9.925 1.00 30.54 H new ATOM 0 HG21 ILE A 64 -11.741 8.288 -11.739 1.00 51.50 H new ATOM 0 HG22 ILE A 64 -12.328 9.767 -10.942 1.00 51.50 H new ATOM 0 HG23 ILE A 64 -10.937 9.845 -12.049 1.00 51.50 H new ATOM 0 HD11 ILE A 64 -8.596 6.197 -10.966 1.00 13.44 H new ATOM 0 HD12 ILE A 64 -9.766 6.341 -9.632 1.00 13.44 H new ATOM 0 HD13 ILE A 64 -10.319 6.469 -11.319 1.00 13.44 H new ATOM 992 N CYS A 65 -11.990 10.675 -8.062 1.00 41.24 N ATOM 993 CA CYS A 65 -13.196 11.350 -7.597 1.00 72.02 C ATOM 994 C CYS A 65 -12.913 12.815 -7.285 1.00 12.24 C ATOM 995 O CYS A 65 -13.678 13.701 -7.666 1.00 12.31 O ATOM 996 CB CYS A 65 -13.750 10.650 -6.355 1.00 50.24 C ATOM 997 SG CYS A 65 -15.547 10.761 -6.183 1.00 44.04 S ATOM 0 H CYS A 65 -11.728 9.854 -7.516 1.00 41.24 H new ATOM 0 HA CYS A 65 -13.939 11.304 -8.394 1.00 72.02 H new ATOM 0 HB2 CYS A 65 -13.463 9.599 -6.385 1.00 50.24 H new ATOM 0 HB3 CYS A 65 -13.284 11.082 -5.470 1.00 50.24 H new ATOM 0 HG CYS A 65 -15.919 10.137 -5.105 1.00 44.04 H new ATOM 1003 N ASP A 66 -11.809 13.064 -6.588 1.00 43.11 N ATOM 1004 CA ASP A 66 -11.425 14.423 -6.224 1.00 61.22 C ATOM 1005 C ASP A 66 -11.111 15.250 -7.467 1.00 11.35 C ATOM 1006 O ASP A 66 -11.524 16.405 -7.577 1.00 11.40 O ATOM 1007 CB ASP A 66 -10.212 14.400 -5.292 1.00 20.12 C ATOM 1008 CG ASP A 66 -10.238 15.530 -4.281 1.00 72.43 C ATOM 1009 OD1 ASP A 66 -9.494 15.449 -3.281 1.00 72.43 O ATOM 1010 OD2 ASP A 66 -11.001 16.496 -4.491 1.00 71.55 O ATOM 0 H ASP A 66 -11.165 12.343 -6.264 1.00 43.11 H new ATOM 0 HA ASP A 66 -12.264 14.885 -5.704 1.00 61.22 H new ATOM 0 HB2 ASP A 66 -10.180 13.446 -4.766 1.00 20.12 H new ATOM 0 HB3 ASP A 66 -9.300 14.468 -5.885 1.00 20.12 H new ATOM 1015 N LEU A 67 -10.377 14.652 -8.399 1.00 1.14 N ATOM 1016 CA LEU A 67 -10.006 15.335 -9.634 1.00 44.50 C ATOM 1017 C LEU A 67 -11.246 15.746 -10.422 1.00 35.41 C ATOM 1018 O LEU A 67 -11.295 16.835 -10.993 1.00 63.33 O ATOM 1019 CB LEU A 67 -9.120 14.431 -10.492 1.00 43.04 C ATOM 1020 CG LEU A 67 -7.643 14.820 -10.574 1.00 5.42 C ATOM 1021 CD1 LEU A 67 -7.495 16.246 -11.081 1.00 42.41 C ATOM 1022 CD2 LEU A 67 -6.975 14.662 -9.216 1.00 72.55 C ATOM 0 H LEU A 67 -10.027 13.697 -8.323 1.00 1.14 H new ATOM 0 HA LEU A 67 -9.450 16.235 -9.370 1.00 44.50 H new ATOM 0 HB2 LEU A 67 -9.186 13.415 -10.102 1.00 43.04 H new ATOM 0 HB3 LEU A 67 -9.527 14.412 -11.503 1.00 43.04 H new ATOM 0 HG LEU A 67 -7.149 14.152 -11.280 1.00 5.42 H new ATOM 0 HD11 LEU A 67 -6.438 16.506 -11.133 1.00 42.41 H new ATOM 0 HD12 LEU A 67 -7.938 16.327 -12.074 1.00 42.41 H new ATOM 0 HD13 LEU A 67 -8.003 16.929 -10.400 1.00 42.41 H new ATOM 0 HD21 LEU A 67 -5.925 14.943 -9.292 1.00 72.55 H new ATOM 0 HD22 LEU A 67 -7.471 15.306 -8.489 1.00 72.55 H new ATOM 0 HD23 LEU A 67 -7.050 13.624 -8.892 1.00 72.55 H new ATOM 1034 N GLN A 68 -12.245 14.870 -10.444 1.00 14.24 N ATOM 1035 CA GLN A 68 -13.485 15.145 -11.160 1.00 41.30 C ATOM 1036 C GLN A 68 -14.205 16.349 -10.561 1.00 21.22 C ATOM 1037 O GLN A 68 -14.639 17.246 -11.282 1.00 21.35 O ATOM 1038 CB GLN A 68 -14.400 13.920 -11.125 1.00 64.11 C ATOM 1039 CG GLN A 68 -15.380 13.859 -12.287 1.00 21.51 C ATOM 1040 CD GLN A 68 -16.823 13.795 -11.830 1.00 11.32 C ATOM 1041 OE1 GLN A 68 -17.272 14.621 -11.035 1.00 55.21 O ATOM 1042 NE2 GLN A 68 -17.560 12.812 -12.333 1.00 1.32 N ATOM 0 H GLN A 68 -12.220 13.965 -9.975 1.00 14.24 H new ATOM 0 HA GLN A 68 -13.234 15.374 -12.196 1.00 41.30 H new ATOM 0 HB2 GLN A 68 -13.787 13.019 -11.130 1.00 64.11 H new ATOM 0 HB3 GLN A 68 -14.959 13.921 -10.189 1.00 64.11 H new ATOM 0 HG2 GLN A 68 -15.242 14.735 -12.920 1.00 21.51 H new ATOM 0 HG3 GLN A 68 -15.158 12.985 -12.899 1.00 21.51 H new ATOM 0 HE21 GLN A 68 -17.147 12.149 -12.989 1.00 1.32 H new ATOM 0 HE22 GLN A 68 -18.539 12.719 -12.063 1.00 1.32 H new ATOM 1051 N GLU A 69 -14.327 16.360 -9.237 1.00 23.15 N ATOM 1052 CA GLU A 69 -14.997 17.454 -8.542 1.00 73.53 C ATOM 1053 C GLU A 69 -14.322 18.788 -8.851 1.00 64.12 C ATOM 1054 O GLU A 69 -14.986 19.765 -9.197 1.00 70.50 O ATOM 1055 CB GLU A 69 -14.993 17.206 -7.032 1.00 63.43 C ATOM 1056 CG GLU A 69 -15.636 18.325 -6.230 1.00 61.21 C ATOM 1057 CD GLU A 69 -14.614 19.232 -5.572 1.00 4.15 C ATOM 1058 OE1 GLU A 69 -13.682 18.707 -4.930 1.00 55.04 O ATOM 1059 OE2 GLU A 69 -14.748 20.468 -5.699 1.00 72.22 O ATOM 0 H GLU A 69 -13.972 15.625 -8.625 1.00 23.15 H new ATOM 0 HA GLU A 69 -16.028 17.497 -8.893 1.00 73.53 H new ATOM 0 HB2 GLU A 69 -15.518 16.273 -6.824 1.00 63.43 H new ATOM 0 HB3 GLU A 69 -13.964 17.075 -6.697 1.00 63.43 H new ATOM 0 HG2 GLU A 69 -16.273 18.918 -6.886 1.00 61.21 H new ATOM 0 HG3 GLU A 69 -16.281 17.894 -5.464 1.00 61.21 H new ATOM 1066 N ARG A 70 -13.000 18.820 -8.723 1.00 10.32 N ATOM 1067 CA ARG A 70 -12.236 20.033 -8.987 1.00 71.23 C ATOM 1068 C ARG A 70 -12.262 20.380 -10.472 1.00 62.15 C ATOM 1069 O ARG A 70 -12.198 21.550 -10.849 1.00 15.34 O ATOM 1070 CB ARG A 70 -10.790 19.863 -8.517 1.00 45.11 C ATOM 1071 CG ARG A 70 -10.665 19.525 -7.041 1.00 52.52 C ATOM 1072 CD ARG A 70 -9.475 20.226 -6.407 1.00 73.10 C ATOM 1073 NE ARG A 70 -9.887 21.328 -5.542 1.00 35.11 N ATOM 1074 CZ ARG A 70 -9.041 22.219 -5.034 1.00 23.04 C ATOM 1075 NH1 ARG A 70 -7.746 22.139 -5.305 1.00 51.30 N ATOM 1076 NH2 ARG A 70 -9.493 23.193 -4.255 1.00 34.44 N ATOM 0 H ARG A 70 -12.436 18.020 -8.438 1.00 10.32 H new ATOM 0 HA ARG A 70 -12.697 20.850 -8.433 1.00 71.23 H new ATOM 0 HB2 ARG A 70 -10.317 19.075 -9.103 1.00 45.11 H new ATOM 0 HB3 ARG A 70 -10.241 20.783 -8.718 1.00 45.11 H new ATOM 0 HG2 ARG A 70 -11.578 19.815 -6.522 1.00 52.52 H new ATOM 0 HG3 ARG A 70 -10.559 18.447 -6.921 1.00 52.52 H new ATOM 0 HD2 ARG A 70 -8.897 19.506 -5.827 1.00 73.10 H new ATOM 0 HD3 ARG A 70 -8.818 20.605 -7.190 1.00 73.10 H new ATOM 0 HE ARG A 70 -10.877 21.419 -5.315 1.00 35.11 H new ATOM 0 HH11 ARG A 70 -7.396 21.392 -5.905 1.00 51.30 H new ATOM 0 HH12 ARG A 70 -7.100 22.824 -4.914 1.00 51.30 H new ATOM 0 HH21 ARG A 70 -10.489 23.258 -4.046 1.00 34.44 H new ATOM 0 HH22 ARG A 70 -8.844 23.877 -3.865 1.00 34.44 H new ATOM 1090 N ARG A 71 -12.355 19.354 -11.313 1.00 71.01 N ATOM 1091 CA ARG A 71 -12.387 19.549 -12.757 1.00 4.03 C ATOM 1092 C ARG A 71 -13.592 20.393 -13.164 1.00 42.31 C ATOM 1093 O ARG A 71 -13.466 21.334 -13.948 1.00 41.11 O ATOM 1094 CB ARG A 71 -12.430 18.200 -13.476 1.00 0.21 C ATOM 1095 CG ARG A 71 -12.616 18.316 -14.979 1.00 40.54 C ATOM 1096 CD ARG A 71 -14.068 18.107 -15.379 1.00 0.44 C ATOM 1097 NE ARG A 71 -14.636 19.293 -16.015 1.00 14.12 N ATOM 1098 CZ ARG A 71 -15.838 19.319 -16.582 1.00 14.21 C ATOM 1099 NH1 ARG A 71 -16.593 18.229 -16.591 1.00 22.35 N ATOM 1100 NH2 ARG A 71 -16.286 20.436 -17.139 1.00 1.00 N ATOM 0 H ARG A 71 -12.409 18.379 -11.018 1.00 71.01 H new ATOM 0 HA ARG A 71 -11.479 20.078 -13.047 1.00 4.03 H new ATOM 0 HB2 ARG A 71 -11.505 17.661 -13.274 1.00 0.21 H new ATOM 0 HB3 ARG A 71 -13.243 17.604 -13.063 1.00 0.21 H new ATOM 0 HG2 ARG A 71 -12.283 19.299 -15.313 1.00 40.54 H new ATOM 0 HG3 ARG A 71 -11.989 17.580 -15.482 1.00 40.54 H new ATOM 0 HD2 ARG A 71 -14.138 17.261 -16.062 1.00 0.44 H new ATOM 0 HD3 ARG A 71 -14.654 17.853 -14.496 1.00 0.44 H new ATOM 0 HE ARG A 71 -14.080 20.148 -16.025 1.00 14.12 H new ATOM 0 HH11 ARG A 71 -16.252 17.369 -16.162 1.00 22.35 H new ATOM 0 HH12 ARG A 71 -17.515 18.251 -17.027 1.00 22.35 H new ATOM 0 HH21 ARG A 71 -15.708 21.276 -17.133 1.00 1.00 H new ATOM 0 HH22 ARG A 71 -17.209 20.455 -17.574 1.00 1.00 H new ATOM 1114 N GLU A 72 -14.759 20.048 -12.627 1.00 62.45 N ATOM 1115 CA GLU A 72 -15.985 20.773 -12.936 1.00 5.21 C ATOM 1116 C GLU A 72 -15.953 22.177 -12.339 1.00 2.00 C ATOM 1117 O GLU A 72 -16.170 23.167 -13.038 1.00 23.04 O ATOM 1118 CB GLU A 72 -17.201 20.009 -12.409 1.00 23.34 C ATOM 1119 CG GLU A 72 -18.525 20.531 -12.943 1.00 41.33 C ATOM 1120 CD GLU A 72 -19.712 20.045 -12.135 1.00 13.42 C ATOM 1121 OE1 GLU A 72 -20.665 20.830 -11.950 1.00 35.32 O ATOM 1122 OE2 GLU A 72 -19.689 18.879 -11.687 1.00 10.40 O ATOM 0 H GLU A 72 -14.880 19.272 -11.977 1.00 62.45 H new ATOM 0 HA GLU A 72 -16.062 20.861 -14.020 1.00 5.21 H new ATOM 0 HB2 GLU A 72 -17.101 18.956 -12.674 1.00 23.34 H new ATOM 0 HB3 GLU A 72 -17.211 20.064 -11.320 1.00 23.34 H new ATOM 0 HG2 GLU A 72 -18.510 21.621 -12.939 1.00 41.33 H new ATOM 0 HG3 GLU A 72 -18.643 20.217 -13.980 1.00 41.33 H new ATOM 1129 N LYS A 73 -15.681 22.254 -11.040 1.00 25.52 N ATOM 1130 CA LYS A 73 -15.619 23.535 -10.346 1.00 64.03 C ATOM 1131 C LYS A 73 -14.608 24.465 -11.009 1.00 23.21 C ATOM 1132 O LYS A 73 -14.720 25.687 -10.916 1.00 74.50 O ATOM 1133 CB LYS A 73 -15.248 23.325 -8.877 1.00 54.43 C ATOM 1134 CG LYS A 73 -16.396 22.809 -8.027 1.00 3.34 C ATOM 1135 CD LYS A 73 -17.344 23.930 -7.632 1.00 55.03 C ATOM 1136 CE LYS A 73 -18.531 23.401 -6.841 1.00 25.45 C ATOM 1137 NZ LYS A 73 -19.566 24.452 -6.627 1.00 51.42 N ATOM 0 H LYS A 73 -15.500 21.444 -10.447 1.00 25.52 H new ATOM 0 HA LYS A 73 -16.604 23.998 -10.403 1.00 64.03 H new ATOM 0 HB2 LYS A 73 -14.418 22.621 -8.818 1.00 54.43 H new ATOM 0 HB3 LYS A 73 -14.895 24.269 -8.462 1.00 54.43 H new ATOM 0 HG2 LYS A 73 -16.944 22.045 -8.579 1.00 3.34 H new ATOM 0 HG3 LYS A 73 -16.001 22.332 -7.130 1.00 3.34 H new ATOM 0 HD2 LYS A 73 -16.808 24.669 -7.036 1.00 55.03 H new ATOM 0 HD3 LYS A 73 -17.700 24.440 -8.527 1.00 55.03 H new ATOM 0 HE2 LYS A 73 -18.974 22.557 -7.370 1.00 25.45 H new ATOM 0 HE3 LYS A 73 -18.188 23.027 -5.876 1.00 25.45 H new ATOM 0 HZ1 LYS A 73 -20.359 24.053 -6.084 1.00 51.42 H new ATOM 0 HZ2 LYS A 73 -19.150 25.246 -6.100 1.00 51.42 H new ATOM 0 HZ3 LYS A 73 -19.912 24.791 -7.547 1.00 51.42 H new ATOM 1151 N PHE A 74 -13.622 23.878 -11.681 1.00 14.12 N ATOM 1152 CA PHE A 74 -12.592 24.654 -12.359 1.00 70.31 C ATOM 1153 C PHE A 74 -12.975 24.913 -13.814 1.00 75.01 C ATOM 1154 O PHE A 74 -12.533 25.889 -14.420 1.00 74.11 O ATOM 1155 CB PHE A 74 -11.248 23.924 -12.297 1.00 14.33 C ATOM 1156 CG PHE A 74 -10.143 24.639 -13.020 1.00 54.53 C ATOM 1157 CD1 PHE A 74 -9.505 24.046 -14.098 1.00 55.01 C ATOM 1158 CD2 PHE A 74 -9.741 25.903 -12.621 1.00 32.25 C ATOM 1159 CE1 PHE A 74 -8.487 24.701 -14.765 1.00 32.03 C ATOM 1160 CE2 PHE A 74 -8.724 26.564 -13.285 1.00 51.01 C ATOM 1161 CZ PHE A 74 -8.096 25.961 -14.357 1.00 24.54 C ATOM 0 H PHE A 74 -13.516 22.867 -11.770 1.00 14.12 H new ATOM 0 HA PHE A 74 -12.501 25.613 -11.849 1.00 70.31 H new ATOM 0 HB2 PHE A 74 -10.963 23.793 -11.253 1.00 14.33 H new ATOM 0 HB3 PHE A 74 -11.365 22.928 -12.723 1.00 14.33 H new ATOM 0 HD1 PHE A 74 -9.807 23.061 -14.421 1.00 55.01 H new ATOM 0 HD2 PHE A 74 -10.227 26.378 -11.782 1.00 32.25 H new ATOM 0 HE1 PHE A 74 -7.998 24.228 -15.604 1.00 32.03 H new ATOM 0 HE2 PHE A 74 -8.421 27.550 -12.966 1.00 51.01 H new ATOM 0 HZ PHE A 74 -7.300 26.474 -14.876 1.00 24.54 H new ATOM 1171 N GLY A 75 -13.801 24.031 -14.368 1.00 71.31 N ATOM 1172 CA GLY A 75 -14.230 24.180 -15.746 1.00 62.01 C ATOM 1173 C GLY A 75 -13.674 23.095 -16.647 1.00 70.15 C ATOM 1174 O GLY A 75 -12.788 22.340 -16.247 1.00 41.02 O ATOM 0 H GLY A 75 -14.181 23.216 -13.887 1.00 71.31 H new ATOM 0 HA2 GLY A 75 -15.319 24.160 -15.788 1.00 62.01 H new ATOM 0 HA3 GLY A 75 -13.914 25.154 -16.118 1.00 62.01 H new ATOM 1178 N SER A 76 -14.196 23.015 -17.867 1.00 23.34 N ATOM 1179 CA SER A 76 -13.751 22.011 -18.825 1.00 21.51 C ATOM 1180 C SER A 76 -12.329 22.303 -19.297 1.00 23.02 C ATOM 1181 O SER A 76 -11.964 23.456 -19.526 1.00 11.20 O ATOM 1182 CB SER A 76 -14.699 21.964 -20.024 1.00 63.12 C ATOM 1183 OG SER A 76 -15.597 20.872 -19.923 1.00 74.24 O ATOM 0 H SER A 76 -14.928 23.634 -18.215 1.00 23.34 H new ATOM 0 HA SER A 76 -13.758 21.041 -18.327 1.00 21.51 H new ATOM 0 HB2 SER A 76 -15.261 22.896 -20.084 1.00 63.12 H new ATOM 0 HB3 SER A 76 -14.122 21.880 -20.945 1.00 63.12 H new ATOM 0 HG SER A 76 -16.193 20.866 -20.701 1.00 74.24 H new ATOM 1189 N SER A 77 -11.532 21.250 -19.441 1.00 11.11 N ATOM 1190 CA SER A 77 -10.150 21.392 -19.882 1.00 71.22 C ATOM 1191 C SER A 77 -9.586 20.051 -20.344 1.00 63.44 C ATOM 1192 O SER A 77 -9.628 19.061 -19.613 1.00 3.02 O ATOM 1193 CB SER A 77 -9.287 21.958 -18.752 1.00 0.15 C ATOM 1194 OG SER A 77 -8.020 21.324 -18.710 1.00 43.20 O ATOM 0 H SER A 77 -11.820 20.289 -19.259 1.00 11.11 H new ATOM 0 HA SER A 77 -10.133 22.084 -20.724 1.00 71.22 H new ATOM 0 HB2 SER A 77 -9.156 23.031 -18.893 1.00 0.15 H new ATOM 0 HB3 SER A 77 -9.797 21.822 -17.798 1.00 0.15 H new ATOM 0 HG SER A 77 -7.432 21.723 -19.385 1.00 43.20 H new ATOM 1200 N LYS A 78 -9.059 20.028 -21.563 1.00 64.55 N ATOM 1201 CA LYS A 78 -8.485 18.811 -22.126 1.00 52.13 C ATOM 1202 C LYS A 78 -7.342 18.295 -21.256 1.00 5.33 C ATOM 1203 O LYS A 78 -7.017 17.109 -21.283 1.00 20.35 O ATOM 1204 CB LYS A 78 -7.981 19.070 -23.548 1.00 75.21 C ATOM 1205 CG LYS A 78 -8.922 18.567 -24.628 1.00 1.14 C ATOM 1206 CD LYS A 78 -8.397 17.299 -25.279 1.00 62.21 C ATOM 1207 CE LYS A 78 -9.430 16.682 -26.211 1.00 11.21 C ATOM 1208 NZ LYS A 78 -10.495 15.963 -25.459 1.00 75.32 N ATOM 0 H LYS A 78 -9.017 20.839 -22.181 1.00 64.55 H new ATOM 0 HA LYS A 78 -9.266 18.052 -22.157 1.00 52.13 H new ATOM 0 HB2 LYS A 78 -7.828 20.141 -23.681 1.00 75.21 H new ATOM 0 HB3 LYS A 78 -7.010 18.592 -23.673 1.00 75.21 H new ATOM 0 HG2 LYS A 78 -9.904 18.375 -24.196 1.00 1.14 H new ATOM 0 HG3 LYS A 78 -9.053 19.339 -25.386 1.00 1.14 H new ATOM 0 HD2 LYS A 78 -7.489 17.525 -25.839 1.00 62.21 H new ATOM 0 HD3 LYS A 78 -8.125 16.579 -24.508 1.00 62.21 H new ATOM 0 HE2 LYS A 78 -9.881 17.464 -26.822 1.00 11.21 H new ATOM 0 HE3 LYS A 78 -8.936 15.990 -26.893 1.00 11.21 H new ATOM 0 HZ1 LYS A 78 -11.141 15.500 -26.130 1.00 75.32 H new ATOM 0 HZ2 LYS A 78 -10.061 15.245 -24.844 1.00 75.32 H new ATOM 0 HZ3 LYS A 78 -11.027 16.641 -24.877 1.00 75.32 H new ATOM 1222 N GLU A 79 -6.740 19.195 -20.484 1.00 23.11 N ATOM 1223 CA GLU A 79 -5.635 18.829 -19.606 1.00 61.42 C ATOM 1224 C GLU A 79 -6.126 17.975 -18.440 1.00 21.24 C ATOM 1225 O GLU A 79 -5.738 16.816 -18.299 1.00 11.31 O ATOM 1226 CB GLU A 79 -4.938 20.084 -19.077 1.00 13.11 C ATOM 1227 CG GLU A 79 -4.153 20.838 -20.136 1.00 3.20 C ATOM 1228 CD GLU A 79 -4.880 22.073 -20.632 1.00 63.14 C ATOM 1229 OE1 GLU A 79 -6.113 22.002 -20.814 1.00 12.43 O ATOM 1230 OE2 GLU A 79 -4.215 23.110 -20.839 1.00 40.41 O ATOM 0 H GLU A 79 -6.999 20.181 -20.449 1.00 23.11 H new ATOM 0 HA GLU A 79 -4.922 18.244 -20.186 1.00 61.42 H new ATOM 0 HB2 GLU A 79 -5.686 20.751 -18.648 1.00 13.11 H new ATOM 0 HB3 GLU A 79 -4.263 19.801 -18.269 1.00 13.11 H new ATOM 0 HG2 GLU A 79 -3.186 21.130 -19.727 1.00 3.20 H new ATOM 0 HG3 GLU A 79 -3.956 20.174 -20.978 1.00 3.20 H new ATOM 1237 N ILE A 80 -6.982 18.559 -17.607 1.00 62.31 N ATOM 1238 CA ILE A 80 -7.526 17.853 -16.453 1.00 63.33 C ATOM 1239 C ILE A 80 -8.228 16.568 -16.878 1.00 32.21 C ATOM 1240 O ILE A 80 -8.142 15.547 -16.194 1.00 42.03 O ATOM 1241 CB ILE A 80 -8.519 18.733 -15.672 1.00 22.40 C ATOM 1242 CG1 ILE A 80 -9.103 17.957 -14.491 1.00 53.25 C ATOM 1243 CG2 ILE A 80 -9.629 19.224 -16.590 1.00 61.21 C ATOM 1244 CD1 ILE A 80 -9.138 18.751 -13.203 1.00 61.11 C ATOM 0 H ILE A 80 -7.313 19.518 -17.710 1.00 62.31 H new ATOM 0 HA ILE A 80 -6.684 17.608 -15.806 1.00 63.33 H new ATOM 0 HB ILE A 80 -7.984 19.600 -15.284 1.00 22.40 H new ATOM 0 HG12 ILE A 80 -10.116 17.640 -14.740 1.00 53.25 H new ATOM 0 HG13 ILE A 80 -8.515 17.053 -14.335 1.00 53.25 H new ATOM 0 HG21 ILE A 80 -10.323 19.845 -16.023 1.00 61.21 H new ATOM 0 HG22 ILE A 80 -9.198 19.810 -17.401 1.00 61.21 H new ATOM 0 HG23 ILE A 80 -10.163 18.369 -17.005 1.00 61.21 H new ATOM 0 HD11 ILE A 80 -9.564 18.138 -12.409 1.00 61.11 H new ATOM 0 HD12 ILE A 80 -8.125 19.046 -12.930 1.00 61.11 H new ATOM 0 HD13 ILE A 80 -9.750 19.642 -13.341 1.00 61.11 H new ATOM 1256 N ASP A 81 -8.921 16.624 -18.009 1.00 2.20 N ATOM 1257 CA ASP A 81 -9.637 15.464 -18.527 1.00 52.35 C ATOM 1258 C ASP A 81 -8.670 14.328 -18.849 1.00 72.40 C ATOM 1259 O ASP A 81 -8.932 13.168 -18.533 1.00 32.31 O ATOM 1260 CB ASP A 81 -10.431 15.843 -19.777 1.00 63.32 C ATOM 1261 CG ASP A 81 -11.467 14.798 -20.145 1.00 32.23 C ATOM 1262 OD1 ASP A 81 -11.579 14.469 -21.344 1.00 32.24 O ATOM 1263 OD2 ASP A 81 -12.165 14.309 -19.232 1.00 71.20 O ATOM 0 H ASP A 81 -9.003 17.461 -18.586 1.00 2.20 H new ATOM 0 HA ASP A 81 -10.329 15.122 -17.757 1.00 52.35 H new ATOM 0 HB2 ASP A 81 -10.927 16.800 -19.613 1.00 63.32 H new ATOM 0 HB3 ASP A 81 -9.744 15.979 -20.612 1.00 63.32 H new ATOM 1268 N MET A 82 -7.551 14.671 -19.480 1.00 34.24 N ATOM 1269 CA MET A 82 -6.546 13.681 -19.844 1.00 61.34 C ATOM 1270 C MET A 82 -5.992 12.986 -18.604 1.00 50.22 C ATOM 1271 O MET A 82 -5.953 11.758 -18.535 1.00 3.45 O ATOM 1272 CB MET A 82 -5.406 14.342 -20.623 1.00 3.12 C ATOM 1273 CG MET A 82 -5.584 14.277 -22.131 1.00 62.12 C ATOM 1274 SD MET A 82 -4.703 15.595 -22.992 1.00 1.31 S ATOM 1275 CE MET A 82 -3.130 14.799 -23.310 1.00 2.30 C ATOM 0 H MET A 82 -7.319 15.627 -19.749 1.00 34.24 H new ATOM 0 HA MET A 82 -7.023 12.932 -20.476 1.00 61.34 H new ATOM 0 HB2 MET A 82 -5.327 15.386 -20.319 1.00 3.12 H new ATOM 0 HB3 MET A 82 -4.466 13.860 -20.355 1.00 3.12 H new ATOM 0 HG2 MET A 82 -5.230 13.312 -22.493 1.00 62.12 H new ATOM 0 HG3 MET A 82 -6.646 14.338 -22.371 1.00 62.12 H new ATOM 0 HE1 MET A 82 -2.473 15.490 -23.839 1.00 2.30 H new ATOM 0 HE2 MET A 82 -2.670 14.512 -22.365 1.00 2.30 H new ATOM 0 HE3 MET A 82 -3.289 13.910 -23.920 1.00 2.30 H new ATOM 1285 N ALA A 83 -5.565 13.780 -17.628 1.00 74.55 N ATOM 1286 CA ALA A 83 -5.016 13.241 -16.390 1.00 52.32 C ATOM 1287 C ALA A 83 -5.975 12.241 -15.754 1.00 35.22 C ATOM 1288 O ALA A 83 -5.559 11.189 -15.267 1.00 71.04 O ATOM 1289 CB ALA A 83 -4.701 14.367 -15.417 1.00 25.05 C ATOM 0 H ALA A 83 -5.589 14.799 -17.671 1.00 74.55 H new ATOM 0 HA ALA A 83 -4.092 12.715 -16.630 1.00 52.32 H new ATOM 0 HB1 ALA A 83 -4.292 13.949 -14.497 1.00 25.05 H new ATOM 0 HB2 ALA A 83 -3.972 15.042 -15.865 1.00 25.05 H new ATOM 0 HB3 ALA A 83 -5.614 14.918 -15.191 1.00 25.05 H new ATOM 1295 N ILE A 84 -7.261 12.577 -15.758 1.00 45.44 N ATOM 1296 CA ILE A 84 -8.279 11.708 -15.181 1.00 3.13 C ATOM 1297 C ILE A 84 -8.327 10.364 -15.901 1.00 12.02 C ATOM 1298 O ILE A 84 -8.233 9.309 -15.274 1.00 71.03 O ATOM 1299 CB ILE A 84 -9.673 12.359 -15.241 1.00 13.34 C ATOM 1300 CG1 ILE A 84 -9.679 13.676 -14.461 1.00 2.02 C ATOM 1301 CG2 ILE A 84 -10.725 11.408 -14.690 1.00 11.54 C ATOM 1302 CD1 ILE A 84 -10.648 14.699 -15.010 1.00 20.20 C ATOM 0 H ILE A 84 -7.622 13.445 -16.154 1.00 45.44 H new ATOM 0 HA ILE A 84 -8.005 11.549 -14.138 1.00 3.13 H new ATOM 0 HB ILE A 84 -9.913 12.573 -16.282 1.00 13.34 H new ATOM 0 HG12 ILE A 84 -9.930 13.471 -13.420 1.00 2.02 H new ATOM 0 HG13 ILE A 84 -8.674 14.098 -14.469 1.00 2.02 H new ATOM 0 HG21 ILE A 84 -11.705 11.882 -14.739 1.00 11.54 H new ATOM 0 HG22 ILE A 84 -10.734 10.493 -15.282 1.00 11.54 H new ATOM 0 HG23 ILE A 84 -10.490 11.167 -13.653 1.00 11.54 H new ATOM 0 HD11 ILE A 84 -10.599 15.607 -14.408 1.00 20.20 H new ATOM 0 HD12 ILE A 84 -10.385 14.933 -16.042 1.00 20.20 H new ATOM 0 HD13 ILE A 84 -11.660 14.296 -14.976 1.00 20.20 H new ATOM 1314 N VAL A 85 -8.474 10.410 -17.221 1.00 32.32 N ATOM 1315 CA VAL A 85 -8.531 9.197 -18.027 1.00 64.43 C ATOM 1316 C VAL A 85 -7.355 8.277 -17.720 1.00 21.50 C ATOM 1317 O VAL A 85 -7.489 7.053 -17.732 1.00 41.13 O ATOM 1318 CB VAL A 85 -8.534 9.523 -19.533 1.00 13.14 C ATOM 1319 CG1 VAL A 85 -8.555 8.244 -20.355 1.00 44.34 C ATOM 1320 CG2 VAL A 85 -9.718 10.411 -19.883 1.00 30.34 C ATOM 0 H VAL A 85 -8.556 11.275 -17.755 1.00 32.32 H new ATOM 0 HA VAL A 85 -9.461 8.690 -17.770 1.00 64.43 H new ATOM 0 HB VAL A 85 -7.619 10.066 -19.772 1.00 13.14 H new ATOM 0 HG11 VAL A 85 -8.557 8.493 -21.416 1.00 44.34 H new ATOM 0 HG12 VAL A 85 -7.672 7.648 -20.124 1.00 44.34 H new ATOM 0 HG13 VAL A 85 -9.451 7.672 -20.115 1.00 44.34 H new ATOM 0 HG21 VAL A 85 -9.705 10.631 -20.950 1.00 30.34 H new ATOM 0 HG22 VAL A 85 -10.645 9.897 -19.630 1.00 30.34 H new ATOM 0 HG23 VAL A 85 -9.654 11.342 -19.320 1.00 30.34 H new ATOM 1330 N THR A 86 -6.199 8.875 -17.444 1.00 11.42 N ATOM 1331 CA THR A 86 -4.999 8.109 -17.133 1.00 62.15 C ATOM 1332 C THR A 86 -5.162 7.332 -15.832 1.00 24.25 C ATOM 1333 O THR A 86 -5.012 6.110 -15.803 1.00 25.12 O ATOM 1334 CB THR A 86 -3.764 9.023 -17.020 1.00 34.15 C ATOM 1335 OG1 THR A 86 -3.494 9.640 -18.283 1.00 62.25 O ATOM 1336 CG2 THR A 86 -2.546 8.234 -16.563 1.00 44.24 C ATOM 0 H THR A 86 -6.069 9.887 -17.430 1.00 11.42 H new ATOM 0 HA THR A 86 -4.851 7.408 -17.954 1.00 62.15 H new ATOM 0 HB THR A 86 -3.976 9.793 -16.279 1.00 34.15 H new ATOM 0 HG1 THR A 86 -4.174 10.321 -18.466 1.00 62.25 H new ATOM 0 HG21 THR A 86 -1.687 8.901 -16.491 1.00 44.24 H new ATOM 0 HG22 THR A 86 -2.745 7.791 -15.587 1.00 44.24 H new ATOM 0 HG23 THR A 86 -2.333 7.444 -17.283 1.00 44.24 H new ATOM 1344 N LEU A 87 -5.472 8.047 -14.757 1.00 11.14 N ATOM 1345 CA LEU A 87 -5.658 7.424 -13.450 1.00 71.12 C ATOM 1346 C LEU A 87 -6.718 6.330 -13.515 1.00 70.04 C ATOM 1347 O LEU A 87 -6.715 5.398 -12.710 1.00 34.53 O ATOM 1348 CB LEU A 87 -6.057 8.476 -12.414 1.00 33.12 C ATOM 1349 CG LEU A 87 -5.370 8.370 -11.052 1.00 14.42 C ATOM 1350 CD1 LEU A 87 -5.754 7.070 -10.360 1.00 3.04 C ATOM 1351 CD2 LEU A 87 -3.860 8.468 -11.206 1.00 71.34 C ATOM 0 H LEU A 87 -5.600 9.059 -14.764 1.00 11.14 H new ATOM 0 HA LEU A 87 -4.712 6.971 -13.153 1.00 71.12 H new ATOM 0 HB2 LEU A 87 -5.848 9.462 -12.828 1.00 33.12 H new ATOM 0 HB3 LEU A 87 -7.135 8.416 -12.261 1.00 33.12 H new ATOM 0 HG LEU A 87 -5.706 9.201 -10.432 1.00 14.42 H new ATOM 0 HD11 LEU A 87 -5.256 7.012 -9.392 1.00 3.04 H new ATOM 0 HD12 LEU A 87 -6.834 7.040 -10.214 1.00 3.04 H new ATOM 0 HD13 LEU A 87 -5.448 6.225 -10.977 1.00 3.04 H new ATOM 0 HD21 LEU A 87 -3.389 8.391 -10.226 1.00 71.34 H new ATOM 0 HD22 LEU A 87 -3.506 7.658 -11.844 1.00 71.34 H new ATOM 0 HD23 LEU A 87 -3.602 9.426 -11.658 1.00 71.34 H new ATOM 1363 N LYS A 88 -7.624 6.446 -14.480 1.00 64.01 N ATOM 1364 CA LYS A 88 -8.688 5.466 -14.654 1.00 3.22 C ATOM 1365 C LYS A 88 -8.169 4.220 -15.365 1.00 10.42 C ATOM 1366 O LYS A 88 -8.244 3.113 -14.831 1.00 43.30 O ATOM 1367 CB LYS A 88 -9.846 6.074 -15.449 1.00 33.44 C ATOM 1368 CG LYS A 88 -10.360 7.381 -14.871 1.00 74.11 C ATOM 1369 CD LYS A 88 -11.750 7.220 -14.278 1.00 25.54 C ATOM 1370 CE LYS A 88 -12.606 8.454 -14.523 1.00 43.12 C ATOM 1371 NZ LYS A 88 -14.004 8.096 -14.893 1.00 61.04 N ATOM 0 H LYS A 88 -7.642 7.211 -15.155 1.00 64.01 H new ATOM 0 HA LYS A 88 -9.046 5.177 -13.666 1.00 3.22 H new ATOM 0 HB2 LYS A 88 -9.522 6.243 -16.476 1.00 33.44 H new ATOM 0 HB3 LYS A 88 -10.665 5.356 -15.488 1.00 33.44 H new ATOM 0 HG2 LYS A 88 -9.674 7.734 -14.101 1.00 74.11 H new ATOM 0 HG3 LYS A 88 -10.382 8.141 -15.652 1.00 74.11 H new ATOM 0 HD2 LYS A 88 -12.235 6.347 -14.715 1.00 25.54 H new ATOM 0 HD3 LYS A 88 -11.671 7.037 -13.206 1.00 25.54 H new ATOM 0 HE2 LYS A 88 -12.615 9.073 -13.626 1.00 43.12 H new ATOM 0 HE3 LYS A 88 -12.162 9.052 -15.319 1.00 43.12 H new ATOM 0 HZ1 LYS A 88 -14.239 8.521 -15.813 1.00 61.04 H new ATOM 0 HZ2 LYS A 88 -14.092 7.062 -14.956 1.00 61.04 H new ATOM 0 HZ3 LYS A 88 -14.658 8.455 -14.168 1.00 61.04 H new ATOM 1385 N VAL A 89 -7.643 4.408 -16.570 1.00 41.34 N ATOM 1386 CA VAL A 89 -7.110 3.299 -17.353 1.00 63.32 C ATOM 1387 C VAL A 89 -5.995 2.582 -16.601 1.00 31.42 C ATOM 1388 O VAL A 89 -5.832 1.368 -16.720 1.00 60.03 O ATOM 1389 CB VAL A 89 -6.570 3.781 -18.713 1.00 54.34 C ATOM 1390 CG1 VAL A 89 -5.411 4.746 -18.515 1.00 41.20 C ATOM 1391 CG2 VAL A 89 -6.147 2.596 -19.568 1.00 10.20 C ATOM 0 H VAL A 89 -7.574 5.318 -17.026 1.00 41.34 H new ATOM 0 HA VAL A 89 -7.934 2.606 -17.523 1.00 63.32 H new ATOM 0 HB VAL A 89 -7.368 4.310 -19.235 1.00 54.34 H new ATOM 0 HG11 VAL A 89 -5.042 5.076 -19.486 1.00 41.20 H new ATOM 0 HG12 VAL A 89 -5.750 5.610 -17.943 1.00 41.20 H new ATOM 0 HG13 VAL A 89 -4.609 4.245 -17.974 1.00 41.20 H new ATOM 0 HG21 VAL A 89 -5.768 2.955 -20.525 1.00 10.20 H new ATOM 0 HG22 VAL A 89 -5.365 2.038 -19.054 1.00 10.20 H new ATOM 0 HG23 VAL A 89 -7.005 1.945 -19.738 1.00 10.20 H new ATOM 1401 N PHE A 90 -5.228 3.342 -15.825 1.00 73.03 N ATOM 1402 CA PHE A 90 -4.127 2.779 -15.052 1.00 61.20 C ATOM 1403 C PHE A 90 -4.651 1.968 -13.870 1.00 74.54 C ATOM 1404 O PHE A 90 -4.227 0.835 -13.645 1.00 12.03 O ATOM 1405 CB PHE A 90 -3.204 3.893 -14.554 1.00 33.23 C ATOM 1406 CG PHE A 90 -1.840 3.408 -14.154 1.00 55.11 C ATOM 1407 CD1 PHE A 90 -0.969 2.889 -15.098 1.00 1.42 C ATOM 1408 CD2 PHE A 90 -1.429 3.469 -12.832 1.00 73.31 C ATOM 1409 CE1 PHE A 90 0.286 2.442 -14.734 1.00 32.22 C ATOM 1410 CE2 PHE A 90 -0.174 3.024 -12.461 1.00 0.23 C ATOM 1411 CZ PHE A 90 0.684 2.508 -13.412 1.00 24.22 C ATOM 0 H PHE A 90 -5.349 4.349 -15.715 1.00 73.03 H new ATOM 0 HA PHE A 90 -3.561 2.113 -15.703 1.00 61.20 H new ATOM 0 HB2 PHE A 90 -3.099 4.644 -15.337 1.00 33.23 H new ATOM 0 HB3 PHE A 90 -3.670 4.386 -13.701 1.00 33.23 H new ATOM 0 HD1 PHE A 90 -1.275 2.833 -16.132 1.00 1.42 H new ATOM 0 HD2 PHE A 90 -2.097 3.869 -12.083 1.00 73.31 H new ATOM 0 HE1 PHE A 90 0.955 2.042 -15.481 1.00 32.22 H new ATOM 0 HE2 PHE A 90 0.135 3.080 -11.428 1.00 0.23 H new ATOM 0 HZ PHE A 90 1.664 2.157 -13.124 1.00 24.22 H new ATOM 1421 N ALA A 91 -5.572 2.559 -13.118 1.00 3.23 N ATOM 1422 CA ALA A 91 -6.155 1.894 -11.959 1.00 42.43 C ATOM 1423 C ALA A 91 -6.687 0.513 -12.330 1.00 3.54 C ATOM 1424 O ALA A 91 -6.522 -0.449 -11.580 1.00 61.44 O ATOM 1425 CB ALA A 91 -7.264 2.746 -11.363 1.00 4.04 C ATOM 0 H ALA A 91 -5.931 3.498 -13.290 1.00 3.23 H new ATOM 0 HA ALA A 91 -5.371 1.765 -11.212 1.00 42.43 H new ATOM 0 HB1 ALA A 91 -7.690 2.236 -10.499 1.00 4.04 H new ATOM 0 HB2 ALA A 91 -6.857 3.708 -11.053 1.00 4.04 H new ATOM 0 HB3 ALA A 91 -8.042 2.905 -12.110 1.00 4.04 H new ATOM 1431 N VAL A 92 -7.329 0.424 -13.491 1.00 52.32 N ATOM 1432 CA VAL A 92 -7.886 -0.840 -13.962 1.00 74.44 C ATOM 1433 C VAL A 92 -6.812 -1.703 -14.616 1.00 1.43 C ATOM 1434 O VAL A 92 -6.854 -2.930 -14.533 1.00 32.41 O ATOM 1435 CB VAL A 92 -9.028 -0.609 -14.968 1.00 4.14 C ATOM 1436 CG1 VAL A 92 -10.161 0.172 -14.320 1.00 22.12 C ATOM 1437 CG2 VAL A 92 -8.512 0.111 -16.204 1.00 21.42 C ATOM 0 H VAL A 92 -7.476 1.211 -14.123 1.00 52.32 H new ATOM 0 HA VAL A 92 -8.282 -1.358 -13.088 1.00 74.44 H new ATOM 0 HB VAL A 92 -9.418 -1.579 -15.277 1.00 4.14 H new ATOM 0 HG11 VAL A 92 -10.959 0.326 -15.046 1.00 22.12 H new ATOM 0 HG12 VAL A 92 -10.548 -0.388 -13.468 1.00 22.12 H new ATOM 0 HG13 VAL A 92 -9.789 1.138 -13.980 1.00 22.12 H new ATOM 0 HG21 VAL A 92 -9.333 0.266 -16.904 1.00 21.42 H new ATOM 0 HG22 VAL A 92 -8.094 1.076 -15.915 1.00 21.42 H new ATOM 0 HG23 VAL A 92 -7.738 -0.492 -16.680 1.00 21.42 H new ATOM 1447 N ALA A 93 -5.853 -1.053 -15.267 1.00 3.42 N ATOM 1448 CA ALA A 93 -4.768 -1.761 -15.934 1.00 45.20 C ATOM 1449 C ALA A 93 -3.937 -2.559 -14.935 1.00 24.14 C ATOM 1450 O ALA A 93 -3.285 -3.538 -15.296 1.00 25.23 O ATOM 1451 CB ALA A 93 -3.886 -0.781 -16.693 1.00 31.43 C ATOM 0 H ALA A 93 -5.806 -0.037 -15.347 1.00 3.42 H new ATOM 0 HA ALA A 93 -5.207 -2.462 -16.644 1.00 45.20 H new ATOM 0 HB1 ALA A 93 -3.080 -1.324 -17.186 1.00 31.43 H new ATOM 0 HB2 ALA A 93 -4.482 -0.259 -17.441 1.00 31.43 H new ATOM 0 HB3 ALA A 93 -3.463 -0.057 -15.996 1.00 31.43 H new ATOM 1457 N GLY A 94 -3.966 -2.133 -13.675 1.00 73.15 N ATOM 1458 CA GLY A 94 -3.210 -2.820 -12.643 1.00 25.31 C ATOM 1459 C GLY A 94 -4.083 -3.712 -11.783 1.00 52.15 C ATOM 1460 O GLY A 94 -3.882 -4.927 -11.734 1.00 14.12 O ATOM 0 H GLY A 94 -4.499 -1.326 -13.351 1.00 73.15 H new ATOM 0 HA2 GLY A 94 -2.429 -3.421 -13.108 1.00 25.31 H new ATOM 0 HA3 GLY A 94 -2.713 -2.085 -12.011 1.00 25.31 H new ATOM 1464 N LEU A 95 -5.052 -3.111 -11.102 1.00 53.04 N ATOM 1465 CA LEU A 95 -5.957 -3.860 -10.237 1.00 25.31 C ATOM 1466 C LEU A 95 -6.749 -4.889 -11.039 1.00 22.32 C ATOM 1467 O LEU A 95 -6.860 -6.049 -10.642 1.00 21.20 O ATOM 1468 CB LEU A 95 -6.916 -2.907 -9.522 1.00 30.31 C ATOM 1469 CG LEU A 95 -6.349 -2.172 -8.307 1.00 34.30 C ATOM 1470 CD1 LEU A 95 -5.847 -3.164 -7.269 1.00 42.34 C ATOM 1471 CD2 LEU A 95 -5.232 -1.227 -8.727 1.00 52.23 C ATOM 0 H LEU A 95 -5.231 -2.107 -11.132 1.00 53.04 H new ATOM 0 HA LEU A 95 -5.358 -4.387 -9.495 1.00 25.31 H new ATOM 0 HB2 LEU A 95 -7.263 -2.165 -10.241 1.00 30.31 H new ATOM 0 HB3 LEU A 95 -7.790 -3.475 -9.203 1.00 30.31 H new ATOM 0 HG LEU A 95 -7.148 -1.581 -7.859 1.00 34.30 H new ATOM 0 HD11 LEU A 95 -5.447 -2.622 -6.412 1.00 42.34 H new ATOM 0 HD12 LEU A 95 -6.671 -3.799 -6.945 1.00 42.34 H new ATOM 0 HD13 LEU A 95 -5.063 -3.782 -7.706 1.00 42.34 H new ATOM 0 HD21 LEU A 95 -4.841 -0.713 -7.849 1.00 52.23 H new ATOM 0 HD22 LEU A 95 -4.432 -1.797 -9.200 1.00 52.23 H new ATOM 0 HD23 LEU A 95 -5.622 -0.494 -9.433 1.00 52.23 H new ATOM 1483 N LEU A 96 -7.296 -4.456 -12.170 1.00 52.33 N ATOM 1484 CA LEU A 96 -8.076 -5.340 -13.029 1.00 23.03 C ATOM 1485 C LEU A 96 -7.175 -6.072 -14.018 1.00 3.43 C ATOM 1486 O LEU A 96 -7.655 -6.770 -14.911 1.00 35.20 O ATOM 1487 CB LEU A 96 -9.139 -4.540 -13.785 1.00 60.25 C ATOM 1488 CG LEU A 96 -10.589 -4.789 -13.368 1.00 32.11 C ATOM 1489 CD1 LEU A 96 -11.464 -3.603 -13.745 1.00 62.24 C ATOM 1490 CD2 LEU A 96 -11.116 -6.067 -14.004 1.00 33.33 C ATOM 0 H LEU A 96 -7.214 -3.499 -12.513 1.00 52.33 H new ATOM 0 HA LEU A 96 -8.567 -6.080 -12.397 1.00 23.03 H new ATOM 0 HB2 LEU A 96 -8.923 -3.479 -13.660 1.00 60.25 H new ATOM 0 HB3 LEU A 96 -9.044 -4.762 -14.848 1.00 60.25 H new ATOM 0 HG LEU A 96 -10.620 -4.907 -12.285 1.00 32.11 H new ATOM 0 HD11 LEU A 96 -12.492 -3.798 -13.441 1.00 62.24 H new ATOM 0 HD12 LEU A 96 -11.100 -2.708 -13.241 1.00 62.24 H new ATOM 0 HD13 LEU A 96 -11.427 -3.452 -14.824 1.00 62.24 H new ATOM 0 HD21 LEU A 96 -12.149 -6.228 -13.696 1.00 33.33 H new ATOM 0 HD22 LEU A 96 -11.071 -5.979 -15.089 1.00 33.33 H new ATOM 0 HD23 LEU A 96 -10.506 -6.911 -13.683 1.00 33.33 H new ATOM 1502 N ASN A 97 -5.867 -5.909 -13.851 1.00 54.11 N ATOM 1503 CA ASN A 97 -4.898 -6.557 -14.728 1.00 61.14 C ATOM 1504 C ASN A 97 -5.221 -6.280 -16.193 1.00 4.13 C ATOM 1505 O ASN A 97 -5.069 -7.152 -17.048 1.00 1.31 O ATOM 1506 CB ASN A 97 -4.877 -8.065 -14.474 1.00 5.11 C ATOM 1507 CG ASN A 97 -4.127 -8.428 -13.208 1.00 1.52 C ATOM 1508 OD1 ASN A 97 -3.333 -7.640 -12.695 1.00 24.00 O ATOM 1509 ND2 ASN A 97 -4.376 -9.628 -12.696 1.00 44.10 N ATOM 0 H ASN A 97 -5.453 -5.334 -13.117 1.00 54.11 H new ATOM 0 HA ASN A 97 -3.913 -6.146 -14.507 1.00 61.14 H new ATOM 0 HB2 ASN A 97 -5.901 -8.433 -14.405 1.00 5.11 H new ATOM 0 HB3 ASN A 97 -4.414 -8.567 -15.324 1.00 5.11 H new ATOM 0 HD21 ASN A 97 -3.901 -9.928 -11.845 1.00 44.10 H new ATOM 0 HD22 ASN A 97 -5.042 -10.250 -13.154 1.00 44.10 H new ATOM 1516 N MET A 98 -5.667 -5.060 -16.476 1.00 72.13 N ATOM 1517 CA MET A 98 -6.010 -4.668 -17.838 1.00 53.23 C ATOM 1518 C MET A 98 -7.179 -5.496 -18.363 1.00 31.44 C ATOM 1519 O MET A 98 -7.024 -6.672 -18.690 1.00 12.13 O ATOM 1520 CB MET A 98 -4.799 -4.834 -18.759 1.00 22.02 C ATOM 1521 CG MET A 98 -4.948 -4.119 -20.092 1.00 52.21 C ATOM 1522 SD MET A 98 -4.916 -5.253 -21.494 1.00 3.13 S ATOM 1523 CE MET A 98 -6.606 -5.846 -21.489 1.00 13.21 C ATOM 0 H MET A 98 -5.799 -4.326 -15.780 1.00 72.13 H new ATOM 0 HA MET A 98 -6.307 -3.619 -17.824 1.00 53.23 H new ATOM 0 HB2 MET A 98 -3.912 -4.457 -18.251 1.00 22.02 H new ATOM 0 HB3 MET A 98 -4.634 -5.896 -18.942 1.00 22.02 H new ATOM 0 HG2 MET A 98 -5.886 -3.564 -20.100 1.00 52.21 H new ATOM 0 HG3 MET A 98 -4.145 -3.390 -20.201 1.00 52.21 H new ATOM 0 HE1 MET A 98 -6.960 -5.944 -22.515 1.00 13.21 H new ATOM 0 HE2 MET A 98 -6.649 -6.817 -20.996 1.00 13.21 H new ATOM 0 HE3 MET A 98 -7.238 -5.138 -20.953 1.00 13.21 H new ATOM 1533 N THR A 99 -8.351 -4.871 -18.442 1.00 41.21 N ATOM 1534 CA THR A 99 -9.546 -5.549 -18.926 1.00 1.44 C ATOM 1535 C THR A 99 -10.280 -4.701 -19.958 1.00 42.04 C ATOM 1536 O THR A 99 -11.480 -4.870 -20.177 1.00 63.14 O ATOM 1537 CB THR A 99 -10.511 -5.880 -17.771 1.00 4.42 C ATOM 1538 OG1 THR A 99 -11.616 -6.648 -18.261 1.00 53.43 O ATOM 1539 CG2 THR A 99 -11.024 -4.608 -17.113 1.00 63.11 C ATOM 0 H THR A 99 -8.497 -3.897 -18.177 1.00 41.21 H new ATOM 0 HA THR A 99 -9.215 -6.477 -19.392 1.00 1.44 H new ATOM 0 HB THR A 99 -9.966 -6.461 -17.027 1.00 4.42 H new ATOM 0 HG1 THR A 99 -12.002 -6.203 -19.044 1.00 53.43 H new ATOM 0 HG21 THR A 99 -11.703 -4.867 -16.301 1.00 63.11 H new ATOM 0 HG22 THR A 99 -10.183 -4.039 -16.716 1.00 63.11 H new ATOM 0 HG23 THR A 99 -11.554 -4.005 -17.851 1.00 63.11 H new ATOM 1547 N VAL A 100 -9.551 -3.787 -20.592 1.00 65.23 N ATOM 1548 CA VAL A 100 -10.133 -2.913 -21.604 1.00 55.40 C ATOM 1549 C VAL A 100 -9.275 -2.883 -22.864 1.00 54.32 C ATOM 1550 O VAL A 100 -8.289 -3.613 -22.973 1.00 52.32 O ATOM 1551 CB VAL A 100 -10.298 -1.476 -21.075 1.00 42.30 C ATOM 1552 CG1 VAL A 100 -11.184 -1.461 -19.839 1.00 15.24 C ATOM 1553 CG2 VAL A 100 -8.941 -0.858 -20.777 1.00 14.22 C ATOM 0 H VAL A 100 -8.557 -3.633 -20.423 1.00 65.23 H new ATOM 0 HA VAL A 100 -11.115 -3.319 -21.846 1.00 55.40 H new ATOM 0 HB VAL A 100 -10.782 -0.877 -21.846 1.00 42.30 H new ATOM 0 HG11 VAL A 100 -11.289 -0.437 -19.479 1.00 15.24 H new ATOM 0 HG12 VAL A 100 -12.167 -1.860 -20.091 1.00 15.24 H new ATOM 0 HG13 VAL A 100 -10.732 -2.075 -19.060 1.00 15.24 H new ATOM 0 HG21 VAL A 100 -9.077 0.157 -20.404 1.00 14.22 H new ATOM 0 HG22 VAL A 100 -8.427 -1.455 -20.024 1.00 14.22 H new ATOM 0 HG23 VAL A 100 -8.345 -0.833 -21.689 1.00 14.22 H new ATOM 1563 N SER A 101 -9.655 -2.035 -23.812 1.00 24.41 N ATOM 1564 CA SER A 101 -8.922 -1.911 -25.067 1.00 41.45 C ATOM 1565 C SER A 101 -8.134 -0.606 -25.110 1.00 51.44 C ATOM 1566 O SER A 101 -6.904 -0.611 -25.180 1.00 53.41 O ATOM 1567 CB SER A 101 -9.886 -1.978 -26.254 1.00 14.11 C ATOM 1568 OG SER A 101 -10.520 -3.244 -26.326 1.00 34.34 O ATOM 0 H SER A 101 -10.467 -1.422 -23.736 1.00 24.41 H new ATOM 0 HA SER A 101 -8.219 -2.741 -25.132 1.00 41.45 H new ATOM 0 HB2 SER A 101 -10.639 -1.196 -26.159 1.00 14.11 H new ATOM 0 HB3 SER A 101 -9.342 -1.787 -27.179 1.00 14.11 H new ATOM 0 HG SER A 101 -11.132 -3.260 -27.091 1.00 34.34 H new ATOM 1574 N THR A 102 -8.851 0.513 -25.068 1.00 42.44 N ATOM 1575 CA THR A 102 -8.220 1.826 -25.104 1.00 60.23 C ATOM 1576 C THR A 102 -8.358 2.538 -23.763 1.00 54.03 C ATOM 1577 O THR A 102 -9.133 2.120 -22.904 1.00 41.34 O ATOM 1578 CB THR A 102 -8.829 2.712 -26.207 1.00 50.13 C ATOM 1579 OG1 THR A 102 -10.133 3.155 -25.816 1.00 71.32 O ATOM 1580 CG2 THR A 102 -8.918 1.953 -27.523 1.00 11.34 C ATOM 0 H THR A 102 -9.869 0.536 -25.009 1.00 42.44 H new ATOM 0 HA THR A 102 -7.164 1.664 -25.320 1.00 60.23 H new ATOM 0 HB THR A 102 -8.180 3.576 -26.348 1.00 50.13 H new ATOM 0 HG1 THR A 102 -10.512 3.719 -26.522 1.00 71.32 H new ATOM 0 HG21 THR A 102 -9.351 2.599 -28.287 1.00 11.34 H new ATOM 0 HG22 THR A 102 -7.920 1.644 -27.833 1.00 11.34 H new ATOM 0 HG23 THR A 102 -9.547 1.072 -27.393 1.00 11.34 H new ATOM 1588 N ALA A 103 -7.600 3.616 -23.590 1.00 1.12 N ATOM 1589 CA ALA A 103 -7.640 4.388 -22.354 1.00 63.32 C ATOM 1590 C ALA A 103 -9.021 4.994 -22.129 1.00 45.42 C ATOM 1591 O ALA A 103 -9.498 5.072 -20.998 1.00 61.35 O ATOM 1592 CB ALA A 103 -6.581 5.480 -22.379 1.00 62.51 C ATOM 0 H ALA A 103 -6.951 3.974 -24.290 1.00 1.12 H new ATOM 0 HA ALA A 103 -7.430 3.711 -21.526 1.00 63.32 H new ATOM 0 HB1 ALA A 103 -6.622 6.048 -21.450 1.00 62.51 H new ATOM 0 HB2 ALA A 103 -5.595 5.028 -22.484 1.00 62.51 H new ATOM 0 HB3 ALA A 103 -6.766 6.147 -23.221 1.00 62.51 H new ATOM 1598 N ALA A 104 -9.658 5.421 -23.215 1.00 14.12 N ATOM 1599 CA ALA A 104 -10.986 6.018 -23.136 1.00 33.24 C ATOM 1600 C ALA A 104 -12.027 4.987 -22.717 1.00 12.43 C ATOM 1601 O ALA A 104 -12.885 5.262 -21.879 1.00 14.44 O ATOM 1602 CB ALA A 104 -11.364 6.643 -24.470 1.00 61.15 C ATOM 0 H ALA A 104 -9.276 5.365 -24.159 1.00 14.12 H new ATOM 0 HA ALA A 104 -10.962 6.799 -22.376 1.00 33.24 H new ATOM 0 HB1 ALA A 104 -12.358 7.085 -24.396 1.00 61.15 H new ATOM 0 HB2 ALA A 104 -10.641 7.417 -24.727 1.00 61.15 H new ATOM 0 HB3 ALA A 104 -11.365 5.876 -25.244 1.00 61.15 H new ATOM 1608 N ALA A 105 -11.948 3.799 -23.308 1.00 12.34 N ATOM 1609 CA ALA A 105 -12.884 2.726 -22.995 1.00 63.14 C ATOM 1610 C ALA A 105 -12.809 2.345 -21.520 1.00 42.23 C ATOM 1611 O ALA A 105 -13.830 2.087 -20.884 1.00 11.14 O ATOM 1612 CB ALA A 105 -12.609 1.513 -23.871 1.00 74.52 C ATOM 0 H ALA A 105 -11.245 3.555 -24.006 1.00 12.34 H new ATOM 0 HA ALA A 105 -13.892 3.086 -23.199 1.00 63.14 H new ATOM 0 HB1 ALA A 105 -13.315 0.720 -23.626 1.00 74.52 H new ATOM 0 HB2 ALA A 105 -12.722 1.788 -24.920 1.00 74.52 H new ATOM 0 HB3 ALA A 105 -11.593 1.160 -23.696 1.00 74.52 H new ATOM 1618 N ALA A 106 -11.594 2.312 -20.984 1.00 55.34 N ATOM 1619 CA ALA A 106 -11.387 1.963 -19.584 1.00 55.00 C ATOM 1620 C ALA A 106 -12.005 3.007 -18.661 1.00 73.14 C ATOM 1621 O ALA A 106 -12.753 2.672 -17.744 1.00 31.25 O ATOM 1622 CB ALA A 106 -9.901 1.810 -19.292 1.00 64.12 C ATOM 0 H ALA A 106 -10.738 2.523 -21.498 1.00 55.34 H new ATOM 0 HA ALA A 106 -11.883 1.011 -19.395 1.00 55.00 H new ATOM 0 HB1 ALA A 106 -9.761 1.549 -18.243 1.00 64.12 H new ATOM 0 HB2 ALA A 106 -9.486 1.022 -19.920 1.00 64.12 H new ATOM 0 HB3 ALA A 106 -9.390 2.749 -19.504 1.00 64.12 H new ATOM 1628 N GLU A 107 -11.686 4.273 -18.910 1.00 71.23 N ATOM 1629 CA GLU A 107 -12.209 5.366 -18.099 1.00 21.14 C ATOM 1630 C GLU A 107 -13.734 5.383 -18.129 1.00 11.43 C ATOM 1631 O GLU A 107 -14.384 5.576 -17.102 1.00 20.14 O ATOM 1632 CB GLU A 107 -11.663 6.706 -18.595 1.00 23.55 C ATOM 1633 CG GLU A 107 -12.323 7.911 -17.945 1.00 25.31 C ATOM 1634 CD GLU A 107 -13.423 8.507 -18.803 1.00 21.21 C ATOM 1635 OE1 GLU A 107 -14.579 8.049 -18.687 1.00 23.11 O ATOM 1636 OE2 GLU A 107 -13.128 9.430 -19.589 1.00 32.52 O ATOM 0 H GLU A 107 -11.068 4.567 -19.667 1.00 71.23 H new ATOM 0 HA GLU A 107 -11.884 5.209 -17.070 1.00 21.14 H new ATOM 0 HB2 GLU A 107 -10.590 6.744 -18.406 1.00 23.55 H new ATOM 0 HB3 GLU A 107 -11.799 6.767 -19.675 1.00 23.55 H new ATOM 0 HG2 GLU A 107 -12.738 7.617 -16.981 1.00 25.31 H new ATOM 0 HG3 GLU A 107 -11.568 8.672 -17.748 1.00 25.31 H new ATOM 1643 N ASN A 108 -14.299 5.180 -19.314 1.00 1.53 N ATOM 1644 CA ASN A 108 -15.749 5.173 -19.479 1.00 52.11 C ATOM 1645 C ASN A 108 -16.394 4.118 -18.584 1.00 72.42 C ATOM 1646 O ASN A 108 -17.367 4.396 -17.885 1.00 2.52 O ATOM 1647 CB ASN A 108 -16.115 4.910 -20.942 1.00 14.33 C ATOM 1648 CG ASN A 108 -16.728 6.124 -21.612 1.00 13.35 C ATOM 1649 OD1 ASN A 108 -17.949 6.286 -21.632 1.00 73.14 O ATOM 1650 ND2 ASN A 108 -15.881 6.986 -22.163 1.00 1.44 N ATOM 0 H ASN A 108 -13.776 5.018 -20.175 1.00 1.53 H new ATOM 0 HA ASN A 108 -16.128 6.152 -19.187 1.00 52.11 H new ATOM 0 HB2 ASN A 108 -15.221 4.609 -21.489 1.00 14.33 H new ATOM 0 HB3 ASN A 108 -16.816 4.077 -20.994 1.00 14.33 H new ATOM 0 HD21 ASN A 108 -16.235 7.823 -22.627 1.00 1.44 H new ATOM 0 HD22 ASN A 108 -14.877 6.811 -22.122 1.00 1.44 H new ATOM 1657 N MET A 109 -15.842 2.910 -18.612 1.00 74.44 N ATOM 1658 CA MET A 109 -16.362 1.814 -17.802 1.00 35.43 C ATOM 1659 C MET A 109 -16.130 2.079 -16.317 1.00 53.11 C ATOM 1660 O MET A 109 -16.946 1.704 -15.475 1.00 22.02 O ATOM 1661 CB MET A 109 -15.701 0.495 -18.205 1.00 13.43 C ATOM 1662 CG MET A 109 -16.165 -0.694 -17.379 1.00 52.44 C ATOM 1663 SD MET A 109 -15.193 -2.180 -17.694 1.00 71.33 S ATOM 1664 CE MET A 109 -14.225 -2.276 -16.190 1.00 35.51 C ATOM 0 H MET A 109 -15.035 2.665 -19.186 1.00 74.44 H new ATOM 0 HA MET A 109 -17.435 1.743 -17.978 1.00 35.43 H new ATOM 0 HB2 MET A 109 -15.910 0.300 -19.257 1.00 13.43 H new ATOM 0 HB3 MET A 109 -14.620 0.595 -18.108 1.00 13.43 H new ATOM 0 HG2 MET A 109 -16.104 -0.442 -16.320 1.00 52.44 H new ATOM 0 HG3 MET A 109 -17.213 -0.897 -17.598 1.00 52.44 H new ATOM 0 HE1 MET A 109 -13.266 -2.747 -16.404 1.00 35.51 H new ATOM 0 HE2 MET A 109 -14.058 -1.272 -15.800 1.00 35.51 H new ATOM 0 HE3 MET A 109 -14.762 -2.868 -15.449 1.00 35.51 H new ATOM 1674 N TYR A 110 -15.013 2.726 -16.003 1.00 11.31 N ATOM 1675 CA TYR A 110 -14.673 3.037 -14.620 1.00 21.12 C ATOM 1676 C TYR A 110 -15.767 3.876 -13.966 1.00 62.43 C ATOM 1677 O TYR A 110 -16.205 3.588 -12.853 1.00 53.42 O ATOM 1678 CB TYR A 110 -13.338 3.781 -14.556 1.00 11.12 C ATOM 1679 CG TYR A 110 -12.726 3.809 -13.174 1.00 53.23 C ATOM 1680 CD1 TYR A 110 -12.010 2.722 -12.688 1.00 32.22 C ATOM 1681 CD2 TYR A 110 -12.865 4.921 -12.353 1.00 32.33 C ATOM 1682 CE1 TYR A 110 -11.449 2.743 -11.425 1.00 42.32 C ATOM 1683 CE2 TYR A 110 -12.307 4.951 -11.090 1.00 35.12 C ATOM 1684 CZ TYR A 110 -11.601 3.860 -10.630 1.00 70.05 C ATOM 1685 OH TYR A 110 -11.044 3.885 -9.371 1.00 44.00 O ATOM 0 H TYR A 110 -14.328 3.045 -16.688 1.00 11.31 H new ATOM 0 HA TYR A 110 -14.585 2.098 -14.074 1.00 21.12 H new ATOM 0 HB2 TYR A 110 -12.636 3.311 -15.245 1.00 11.12 H new ATOM 0 HB3 TYR A 110 -13.485 4.805 -14.900 1.00 11.12 H new ATOM 0 HD1 TYR A 110 -11.890 1.846 -13.308 1.00 32.22 H new ATOM 0 HD2 TYR A 110 -13.419 5.777 -12.709 1.00 32.33 H new ATOM 0 HE1 TYR A 110 -10.895 1.890 -11.063 1.00 42.32 H new ATOM 0 HE2 TYR A 110 -12.423 5.825 -10.466 1.00 35.12 H new ATOM 0 HH TYR A 110 -10.089 4.092 -9.440 1.00 44.00 H new ATOM 1695 N SER A 111 -16.204 4.918 -14.668 1.00 11.03 N ATOM 1696 CA SER A 111 -17.244 5.802 -14.156 1.00 34.22 C ATOM 1697 C SER A 111 -18.630 5.215 -14.409 1.00 62.23 C ATOM 1698 O SER A 111 -19.550 5.406 -13.617 1.00 15.35 O ATOM 1699 CB SER A 111 -17.136 7.183 -14.806 1.00 41.32 C ATOM 1700 OG SER A 111 -16.399 7.120 -16.015 1.00 53.01 O ATOM 0 H SER A 111 -15.854 5.170 -15.592 1.00 11.03 H new ATOM 0 HA SER A 111 -17.102 5.903 -13.080 1.00 34.22 H new ATOM 0 HB2 SER A 111 -18.134 7.574 -15.004 1.00 41.32 H new ATOM 0 HB3 SER A 111 -16.653 7.876 -14.117 1.00 41.32 H new ATOM 0 HG SER A 111 -16.345 8.014 -16.412 1.00 53.01 H new ATOM 1706 N GLN A 112 -18.768 4.499 -15.521 1.00 33.50 N ATOM 1707 CA GLN A 112 -20.040 3.885 -15.880 1.00 63.14 C ATOM 1708 C GLN A 112 -20.470 2.868 -14.829 1.00 74.40 C ATOM 1709 O GLN A 112 -21.658 2.591 -14.667 1.00 25.51 O ATOM 1710 CB GLN A 112 -19.935 3.209 -17.248 1.00 42.55 C ATOM 1711 CG GLN A 112 -21.216 2.513 -17.683 1.00 32.55 C ATOM 1712 CD GLN A 112 -21.125 1.949 -19.087 1.00 10.23 C ATOM 1713 OE1 GLN A 112 -20.930 0.748 -19.274 1.00 54.34 O ATOM 1714 NE2 GLN A 112 -21.269 2.815 -20.084 1.00 42.34 N ATOM 0 H GLN A 112 -18.015 4.330 -16.188 1.00 33.50 H new ATOM 0 HA GLN A 112 -20.794 4.671 -15.927 1.00 63.14 H new ATOM 0 HB2 GLN A 112 -19.666 3.957 -17.994 1.00 42.55 H new ATOM 0 HB3 GLN A 112 -19.126 2.479 -17.222 1.00 42.55 H new ATOM 0 HG2 GLN A 112 -21.442 1.707 -16.985 1.00 32.55 H new ATOM 0 HG3 GLN A 112 -22.044 3.220 -17.632 1.00 32.55 H new ATOM 0 HE21 GLN A 112 -21.429 3.802 -19.883 1.00 42.34 H new ATOM 0 HE22 GLN A 112 -21.219 2.493 -21.051 1.00 42.34 H new ATOM 1723 N MET A 113 -19.494 2.314 -14.115 1.00 2.13 N ATOM 1724 CA MET A 113 -19.773 1.328 -13.078 1.00 14.41 C ATOM 1725 C MET A 113 -20.122 2.010 -11.759 1.00 12.41 C ATOM 1726 O MET A 113 -20.783 1.424 -10.901 1.00 31.31 O ATOM 1727 CB MET A 113 -18.568 0.405 -12.884 1.00 62.42 C ATOM 1728 CG MET A 113 -18.399 -0.615 -13.999 1.00 34.02 C ATOM 1729 SD MET A 113 -18.895 -2.276 -13.500 1.00 60.24 S ATOM 1730 CE MET A 113 -17.311 -3.111 -13.486 1.00 40.45 C ATOM 0 H MET A 113 -18.505 2.531 -14.236 1.00 2.13 H new ATOM 0 HA MET A 113 -20.629 0.734 -13.398 1.00 14.41 H new ATOM 0 HB2 MET A 113 -17.664 1.010 -12.816 1.00 62.42 H new ATOM 0 HB3 MET A 113 -18.672 -0.120 -11.935 1.00 62.42 H new ATOM 0 HG2 MET A 113 -18.990 -0.307 -14.861 1.00 34.02 H new ATOM 0 HG3 MET A 113 -17.356 -0.631 -14.317 1.00 34.02 H new ATOM 0 HE1 MET A 113 -17.449 -4.147 -13.178 1.00 40.45 H new ATOM 0 HE2 MET A 113 -16.877 -3.084 -14.485 1.00 40.45 H new ATOM 0 HE3 MET A 113 -16.642 -2.610 -12.786 1.00 40.45 H new ATOM 1740 N GLY A 114 -19.676 3.252 -11.603 1.00 71.55 N ATOM 1741 CA GLY A 114 -19.950 3.993 -10.386 1.00 21.30 C ATOM 1742 C GLY A 114 -18.710 4.200 -9.539 1.00 70.43 C ATOM 1743 O GLY A 114 -18.802 4.400 -8.328 1.00 35.34 O ATOM 0 H GLY A 114 -19.129 3.759 -12.299 1.00 71.55 H new ATOM 0 HA2 GLY A 114 -20.376 4.963 -10.643 1.00 21.30 H new ATOM 0 HA3 GLY A 114 -20.700 3.460 -9.802 1.00 21.30 H new