USER MOD reduce.3.24.130724 H: found=0, std=0, add=1016, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 1015 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 74 ASN : amide:sc= 0.0464 K(o=0.26,f=-0.46!) USER MOD Set 1.2: A 76 ASN :FLIP amide:sc= -0.252 F(o=-0.46,f=0.26) USER MOD Set 1.3: A 77 GLN : amide:sc= -0.953! K(o=0.26!,f=-0.46) USER MOD Set 1.4: A 115 SER OG : rot 47:sc= 1.42 USER MOD Set 2.1: A 38 TYR OH : rot 180:sc= 0.832 USER MOD Set 2.2: A 39 LYS NZ :NH3+ -153:sc= 0.961 (180deg=0.0686) USER MOD Set 3.1: A 6 THR OG1 : rot -74:sc= 0.966 USER MOD Set 3.2: A 9 GLN :FLIP amide:sc= 0.827 F(o=1.1,f=1.8) USER MOD Set 4.1: A 8 LYS NZ :NH3+ -158:sc= 0.312 (180deg=0) USER MOD Set 4.2: A 110 TYR OH : rot 30:sc= 0.286 USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= -0.249 K(o=-0.25,f=-4.4!) USER MOD Single : A 26 GLN : amide:sc= -0.0385 X(o=-0.039,f=0) USER MOD Single : A 27 HIS : no HD1:sc= -0.133 X(o=-0.13,f=-0.0012) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ 179:sc= -0.213 (180deg=-0.219) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 GLN :FLIP amide:sc= -0.538 F(o=-1.6!,f=-0.54) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ -174:sc= 1.68 (180deg=1.38) USER MOD Single : A 57 HIS : no HD1:sc= -0.362 X(o=-0.36,f=-0.28) USER MOD Single : A 59 ASN :FLIP amide:sc= 0.0315 F(o=-0.81,f=0.031) USER MOD Single : A 60 MET CE :methyl -143:sc=-0.00708 (180deg=-0.397) USER MOD Single : A 61 SER OG : rot 8:sc= 0.135 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 84 ASN : amide:sc= 0.472 K(o=0.47,f=-2.1) USER MOD Single : A 86 HIS : no HD1:sc=-0.000341 X(o=-0.00034,f=-0.00034) USER MOD Single : A 87 SER OG : rot 151:sc= 0.116 USER MOD Single : A 88 MET CE :methyl 170:sc= 0 (180deg=-0.0802) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 92 SER OG : rot -30:sc= 0.125 USER MOD Single : A 93 THR OG1 : rot 99:sc= 0.185 USER MOD Single : A 96 SER OG : rot 180:sc= -0.117 USER MOD Single : A 99 TYR OH : rot 29:sc= 0.717 USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 MET CE :methyl 150:sc= -1.55 (180deg=-2.48!) USER MOD Single : A 113 TYR OH : rot -151:sc= 0.969 USER MOD Single : A 116 GLN : amide:sc= 0.587 K(o=0.59,f=-0.1) USER MOD Single : A 118 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 64 N THR A 6 -4.861 -12.115 -6.267 1.00 52.42 N ATOM 65 CA THR A 6 -4.425 -10.761 -5.932 1.00 0.30 C ATOM 66 C THR A 6 -5.614 -9.795 -6.035 1.00 75.34 C ATOM 67 O THR A 6 -6.689 -10.159 -6.522 1.00 12.01 O ATOM 68 CB THR A 6 -3.262 -10.328 -6.842 1.00 40.01 C ATOM 69 OG1 THR A 6 -3.658 -10.347 -8.199 1.00 52.21 O ATOM 70 CG2 THR A 6 -2.024 -11.212 -6.682 1.00 52.32 C ATOM 0 HA THR A 6 -4.058 -10.743 -4.906 1.00 0.30 H new ATOM 0 HB THR A 6 -2.999 -9.315 -6.536 1.00 40.01 H new ATOM 0 HG1 THR A 6 -3.715 -11.275 -8.510 1.00 52.21 H new ATOM 0 HG21 THR A 6 -1.237 -10.859 -7.348 1.00 52.32 H new ATOM 0 HG22 THR A 6 -1.675 -11.166 -5.651 1.00 52.32 H new ATOM 0 HG23 THR A 6 -2.277 -12.242 -6.933 1.00 52.32 H new ATOM 78 N PHE A 7 -5.431 -8.542 -5.613 1.00 2.41 N ATOM 79 CA PHE A 7 -6.452 -7.498 -5.648 1.00 24.33 C ATOM 80 C PHE A 7 -7.057 -7.344 -7.059 1.00 22.22 C ATOM 81 O PHE A 7 -8.286 -7.308 -7.182 1.00 5.40 O ATOM 82 CB PHE A 7 -5.873 -6.196 -5.071 1.00 23.32 C ATOM 83 CG PHE A 7 -4.620 -5.694 -5.754 1.00 5.04 C ATOM 84 CD1 PHE A 7 -4.715 -4.937 -6.933 1.00 12.33 C ATOM 85 CD2 PHE A 7 -3.352 -6.011 -5.233 1.00 41.12 C ATOM 86 CE1 PHE A 7 -3.559 -4.526 -7.605 1.00 52.14 C ATOM 87 CE2 PHE A 7 -2.195 -5.585 -5.906 1.00 2.03 C ATOM 88 CZ PHE A 7 -2.295 -4.855 -7.100 1.00 43.24 C ATOM 0 H PHE A 7 -4.544 -8.219 -5.227 1.00 2.41 H new ATOM 0 HA PHE A 7 -7.292 -7.783 -5.015 1.00 24.33 H new ATOM 0 HB2 PHE A 7 -6.636 -5.420 -5.129 1.00 23.32 H new ATOM 0 HB3 PHE A 7 -5.655 -6.350 -4.014 1.00 23.32 H new ATOM 0 HD1 PHE A 7 -5.686 -4.671 -7.323 1.00 12.33 H new ATOM 0 HD2 PHE A 7 -3.269 -6.580 -4.319 1.00 41.12 H new ATOM 0 HE1 PHE A 7 -3.642 -3.953 -8.517 1.00 52.14 H new ATOM 0 HE2 PHE A 7 -1.222 -5.821 -5.502 1.00 2.03 H new ATOM 0 HZ PHE A 7 -1.403 -4.549 -7.626 1.00 43.24 H new ATOM 98 N LYS A 8 -6.254 -7.314 -8.134 1.00 22.54 N ATOM 99 CA LYS A 8 -6.792 -7.172 -9.491 1.00 41.32 C ATOM 100 C LYS A 8 -7.593 -8.412 -9.899 1.00 72.43 C ATOM 101 O LYS A 8 -8.616 -8.293 -10.573 1.00 44.51 O ATOM 102 CB LYS A 8 -5.660 -6.823 -10.479 1.00 2.43 C ATOM 103 CG LYS A 8 -6.200 -6.286 -11.816 1.00 15.13 C ATOM 104 CD LYS A 8 -5.548 -4.974 -12.276 1.00 54.02 C ATOM 105 CE LYS A 8 -4.143 -5.158 -12.863 1.00 3.45 C ATOM 106 NZ LYS A 8 -3.583 -3.884 -13.370 1.00 45.24 N ATOM 0 H LYS A 8 -5.238 -7.386 -8.088 1.00 22.54 H new ATOM 0 HA LYS A 8 -7.497 -6.341 -9.513 1.00 41.32 H new ATOM 0 HB2 LYS A 8 -5.004 -6.078 -10.029 1.00 2.43 H new ATOM 0 HB3 LYS A 8 -5.055 -7.711 -10.664 1.00 2.43 H new ATOM 0 HG2 LYS A 8 -6.050 -7.043 -12.586 1.00 15.13 H new ATOM 0 HG3 LYS A 8 -7.275 -6.132 -11.725 1.00 15.13 H new ATOM 0 HD2 LYS A 8 -6.186 -4.504 -13.024 1.00 54.02 H new ATOM 0 HD3 LYS A 8 -5.492 -4.290 -11.429 1.00 54.02 H new ATOM 0 HE2 LYS A 8 -3.481 -5.566 -12.099 1.00 3.45 H new ATOM 0 HE3 LYS A 8 -4.181 -5.886 -13.674 1.00 3.45 H new ATOM 0 HZ1 LYS A 8 -2.839 -4.085 -14.068 1.00 45.24 H new ATOM 0 HZ2 LYS A 8 -4.338 -3.327 -13.819 1.00 45.24 H new ATOM 0 HZ3 LYS A 8 -3.178 -3.344 -12.579 1.00 45.24 H new ATOM 120 N GLN A 9 -7.188 -9.601 -9.442 1.00 12.41 N ATOM 121 CA GLN A 9 -7.895 -10.838 -9.756 1.00 1.33 C ATOM 122 C GLN A 9 -9.251 -10.872 -9.040 1.00 4.10 C ATOM 123 O GLN A 9 -10.245 -11.309 -9.614 1.00 2.41 O ATOM 124 CB GLN A 9 -7.066 -12.057 -9.340 1.00 20.40 C ATOM 125 CG GLN A 9 -5.824 -12.290 -10.207 1.00 35.55 C ATOM 126 CD GLN A 9 -4.967 -13.389 -9.586 1.00 52.23 C ATOM 127 OE1 GLN A 9 -3.812 -13.050 -9.054 1.00 33.44 O flip ATOM 128 NE2 GLN A 9 -5.368 -14.541 -9.493 1.00 40.04 N flip ATOM 0 H GLN A 9 -6.368 -9.729 -8.849 1.00 12.41 H new ATOM 0 HA GLN A 9 -8.055 -10.872 -10.834 1.00 1.33 H new ATOM 0 HB2 GLN A 9 -6.755 -11.935 -8.302 1.00 20.40 H new ATOM 0 HB3 GLN A 9 -7.697 -12.945 -9.381 1.00 20.40 H new ATOM 0 HG2 GLN A 9 -6.121 -12.573 -11.217 1.00 35.55 H new ATOM 0 HG3 GLN A 9 -5.248 -11.369 -10.290 1.00 35.55 H new ATOM 0 HE21 GLN A 9 -6.263 -14.804 -9.905 1.00 40.04 H new ATOM 0 HE22 GLN A 9 -4.807 -15.238 -9.003 1.00 40.04 H new ATOM 137 N ARG A 10 -9.334 -10.434 -7.778 1.00 13.43 N ATOM 138 CA ARG A 10 -10.599 -10.446 -7.025 1.00 40.32 C ATOM 139 C ARG A 10 -11.563 -9.320 -7.404 1.00 64.25 C ATOM 140 O ARG A 10 -12.749 -9.467 -7.120 1.00 1.42 O ATOM 141 CB ARG A 10 -10.353 -10.448 -5.508 1.00 33.53 C ATOM 142 CG ARG A 10 -9.617 -9.186 -5.057 1.00 14.01 C ATOM 143 CD ARG A 10 -9.382 -9.097 -3.559 1.00 51.02 C ATOM 144 NE ARG A 10 -10.624 -8.783 -2.859 1.00 41.43 N ATOM 145 CZ ARG A 10 -10.728 -8.251 -1.639 1.00 74.45 C ATOM 146 NH1 ARG A 10 -9.646 -7.990 -0.908 1.00 71.52 N ATOM 147 NH2 ARG A 10 -11.934 -7.969 -1.169 1.00 24.42 N ATOM 0 H ARG A 10 -8.540 -10.066 -7.254 1.00 13.43 H new ATOM 0 HA ARG A 10 -11.087 -11.378 -7.311 1.00 40.32 H new ATOM 0 HB2 ARG A 10 -11.306 -10.521 -4.984 1.00 33.53 H new ATOM 0 HB3 ARG A 10 -9.770 -11.328 -5.234 1.00 33.53 H new ATOM 0 HG2 ARG A 10 -8.655 -9.140 -5.567 1.00 14.01 H new ATOM 0 HG3 ARG A 10 -10.188 -8.314 -5.375 1.00 14.01 H new ATOM 0 HD2 ARG A 10 -8.981 -10.042 -3.192 1.00 51.02 H new ATOM 0 HD3 ARG A 10 -8.636 -8.331 -3.348 1.00 51.02 H new ATOM 0 HE ARG A 10 -11.495 -8.990 -3.348 1.00 41.43 H new ATOM 0 HH11 ARG A 10 -8.718 -8.197 -1.278 1.00 71.52 H new ATOM 0 HH12 ARG A 10 -9.745 -7.583 0.022 1.00 71.52 H new ATOM 0 HH21 ARG A 10 -12.760 -8.159 -1.737 1.00 24.42 H new ATOM 0 HH22 ARG A 10 -12.037 -7.562 -0.239 1.00 24.42 H new ATOM 161 N ARG A 11 -11.091 -8.213 -7.987 1.00 32.50 N ATOM 162 CA ARG A 11 -11.925 -7.086 -8.397 1.00 20.20 C ATOM 163 C ARG A 11 -11.378 -6.574 -9.726 1.00 11.53 C ATOM 164 O ARG A 11 -10.275 -6.009 -9.736 1.00 24.14 O ATOM 165 CB ARG A 11 -11.928 -5.953 -7.353 1.00 31.32 C ATOM 166 CG ARG A 11 -12.780 -6.156 -6.089 1.00 52.44 C ATOM 167 CD ARG A 11 -13.061 -4.780 -5.443 1.00 12.13 C ATOM 168 NE ARG A 11 -13.380 -4.805 -4.004 1.00 21.11 N ATOM 169 CZ ARG A 11 -14.352 -5.479 -3.373 1.00 4.10 C ATOM 170 NH1 ARG A 11 -15.137 -6.337 -4.014 1.00 23.33 N ATOM 171 NH2 ARG A 11 -14.536 -5.312 -2.069 1.00 65.11 N ATOM 0 H ARG A 11 -10.101 -8.076 -8.189 1.00 32.50 H new ATOM 0 HA ARG A 11 -12.958 -7.420 -8.494 1.00 20.20 H new ATOM 0 HB2 ARG A 11 -10.898 -5.781 -7.041 1.00 31.32 H new ATOM 0 HB3 ARG A 11 -12.268 -5.042 -7.846 1.00 31.32 H new ATOM 0 HG2 ARG A 11 -13.717 -6.651 -6.343 1.00 52.44 H new ATOM 0 HG3 ARG A 11 -12.259 -6.803 -5.384 1.00 52.44 H new ATOM 0 HD2 ARG A 11 -12.189 -4.144 -5.592 1.00 12.13 H new ATOM 0 HD3 ARG A 11 -13.891 -4.313 -5.973 1.00 12.13 H new ATOM 0 HE ARG A 11 -12.781 -4.233 -3.409 1.00 21.11 H new ATOM 0 HH11 ARG A 11 -15.008 -6.498 -5.013 1.00 23.33 H new ATOM 0 HH12 ARG A 11 -15.868 -6.836 -3.507 1.00 23.33 H new ATOM 0 HH21 ARG A 11 -13.938 -4.671 -1.548 1.00 65.11 H new ATOM 0 HH22 ARG A 11 -15.275 -5.825 -1.589 1.00 65.11 H new ATOM 185 N THR A 12 -12.119 -6.801 -10.815 1.00 74.32 N ATOM 186 CA THR A 12 -11.774 -6.383 -12.177 1.00 74.22 C ATOM 187 C THR A 12 -11.617 -4.855 -12.250 1.00 1.44 C ATOM 188 O THR A 12 -11.982 -4.156 -11.310 1.00 65.34 O ATOM 189 CB THR A 12 -12.834 -6.928 -13.163 1.00 43.21 C ATOM 190 OG1 THR A 12 -12.378 -6.793 -14.498 1.00 74.12 O ATOM 191 CG2 THR A 12 -14.200 -6.242 -13.028 1.00 22.53 C ATOM 0 H THR A 12 -13.008 -7.299 -10.770 1.00 74.32 H new ATOM 0 HA THR A 12 -10.810 -6.802 -12.465 1.00 74.22 H new ATOM 0 HB THR A 12 -12.971 -7.979 -12.909 1.00 43.21 H new ATOM 0 HG1 THR A 12 -13.057 -7.143 -15.112 1.00 74.12 H new ATOM 0 HG21 THR A 12 -14.896 -6.672 -13.748 1.00 22.53 H new ATOM 0 HG22 THR A 12 -14.584 -6.391 -12.019 1.00 22.53 H new ATOM 0 HG23 THR A 12 -14.092 -5.175 -13.221 1.00 22.53 H new ATOM 199 N PHE A 13 -11.108 -4.319 -13.364 1.00 21.30 N ATOM 200 CA PHE A 13 -10.888 -2.888 -13.578 1.00 63.43 C ATOM 201 C PHE A 13 -12.081 -2.012 -13.195 1.00 12.20 C ATOM 202 O PHE A 13 -11.879 -1.010 -12.522 1.00 42.03 O ATOM 203 CB PHE A 13 -10.477 -2.628 -15.024 1.00 72.23 C ATOM 204 CG PHE A 13 -10.248 -1.161 -15.335 1.00 5.34 C ATOM 205 CD1 PHE A 13 -8.971 -0.600 -15.153 1.00 4.04 C ATOM 206 CD2 PHE A 13 -11.311 -0.347 -15.774 1.00 41.45 C ATOM 207 CE1 PHE A 13 -8.751 0.762 -15.409 1.00 11.31 C ATOM 208 CE2 PHE A 13 -11.095 1.022 -16.006 1.00 43.11 C ATOM 209 CZ PHE A 13 -9.816 1.576 -15.826 1.00 65.24 C ATOM 0 H PHE A 13 -10.830 -4.887 -14.164 1.00 21.30 H new ATOM 0 HA PHE A 13 -10.080 -2.602 -12.905 1.00 63.43 H new ATOM 0 HB2 PHE A 13 -9.564 -3.183 -15.239 1.00 72.23 H new ATOM 0 HB3 PHE A 13 -11.250 -3.015 -15.688 1.00 72.23 H new ATOM 0 HD1 PHE A 13 -8.155 -1.221 -14.814 1.00 4.04 H new ATOM 0 HD2 PHE A 13 -12.290 -0.775 -15.932 1.00 41.45 H new ATOM 0 HE1 PHE A 13 -7.764 1.183 -15.285 1.00 11.31 H new ATOM 0 HE2 PHE A 13 -11.914 1.650 -16.324 1.00 43.11 H new ATOM 0 HZ PHE A 13 -9.652 2.628 -16.008 1.00 65.24 H new ATOM 219 N GLU A 14 -13.310 -2.374 -13.576 1.00 12.44 N ATOM 220 CA GLU A 14 -14.507 -1.587 -13.243 1.00 25.14 C ATOM 221 C GLU A 14 -14.588 -1.396 -11.728 1.00 1.03 C ATOM 222 O GLU A 14 -14.783 -0.296 -11.213 1.00 13.43 O ATOM 223 CB GLU A 14 -15.759 -2.326 -13.723 1.00 23.15 C ATOM 224 CG GLU A 14 -15.843 -2.403 -15.249 1.00 74.42 C ATOM 225 CD GLU A 14 -17.038 -3.250 -15.679 1.00 24.32 C ATOM 226 OE1 GLU A 14 -18.207 -2.864 -15.424 1.00 43.04 O ATOM 227 OE2 GLU A 14 -16.825 -4.338 -16.257 1.00 2.21 O ATOM 0 H GLU A 14 -13.505 -3.214 -14.120 1.00 12.44 H new ATOM 0 HA GLU A 14 -14.445 -0.616 -13.733 1.00 25.14 H new ATOM 0 HB2 GLU A 14 -15.762 -3.335 -13.310 1.00 23.15 H new ATOM 0 HB3 GLU A 14 -16.645 -1.821 -13.338 1.00 23.15 H new ATOM 0 HG2 GLU A 14 -15.933 -1.399 -15.665 1.00 74.42 H new ATOM 0 HG3 GLU A 14 -14.924 -2.832 -15.648 1.00 74.42 H new ATOM 234 N GLN A 15 -14.433 -2.507 -11.012 1.00 0.11 N ATOM 235 CA GLN A 15 -14.449 -2.562 -9.566 1.00 62.15 C ATOM 236 C GLN A 15 -13.194 -1.863 -9.024 1.00 13.24 C ATOM 237 O GLN A 15 -13.214 -1.322 -7.931 1.00 13.14 O ATOM 238 CB GLN A 15 -14.506 -4.014 -9.108 1.00 62.31 C ATOM 239 CG GLN A 15 -15.816 -4.732 -9.422 1.00 53.42 C ATOM 240 CD GLN A 15 -15.686 -6.177 -8.967 1.00 0.20 C ATOM 241 OE1 GLN A 15 -15.050 -6.983 -9.637 1.00 13.04 O ATOM 242 NE2 GLN A 15 -16.191 -6.498 -7.793 1.00 34.10 N ATOM 0 H GLN A 15 -14.289 -3.420 -11.444 1.00 0.11 H new ATOM 0 HA GLN A 15 -15.331 -2.050 -9.181 1.00 62.15 H new ATOM 0 HB2 GLN A 15 -13.687 -4.560 -9.576 1.00 62.31 H new ATOM 0 HB3 GLN A 15 -14.338 -4.048 -8.032 1.00 62.31 H new ATOM 0 HG2 GLN A 15 -16.648 -4.246 -8.912 1.00 53.42 H new ATOM 0 HG3 GLN A 15 -16.028 -4.687 -10.490 1.00 53.42 H new ATOM 0 HE21 GLN A 15 -16.716 -5.807 -7.257 1.00 34.10 H new ATOM 0 HE22 GLN A 15 -16.057 -7.438 -7.420 1.00 34.10 H new ATOM 251 N ARG A 16 -12.072 -1.876 -9.747 1.00 20.41 N ATOM 252 CA ARG A 16 -10.819 -1.238 -9.350 1.00 14.51 C ATOM 253 C ARG A 16 -11.044 0.269 -9.293 1.00 21.45 C ATOM 254 O ARG A 16 -10.752 0.884 -8.271 1.00 43.55 O ATOM 255 CB ARG A 16 -9.702 -1.611 -10.336 1.00 51.31 C ATOM 256 CG ARG A 16 -8.313 -1.607 -9.695 1.00 11.12 C ATOM 257 CD ARG A 16 -7.705 -3.018 -9.726 1.00 25.11 C ATOM 258 NE ARG A 16 -8.321 -3.900 -8.722 1.00 0.55 N ATOM 259 CZ ARG A 16 -8.160 -3.770 -7.398 1.00 43.12 C ATOM 260 NH1 ARG A 16 -7.409 -2.812 -6.869 1.00 41.23 N ATOM 261 NH2 ARG A 16 -8.803 -4.586 -6.583 1.00 4.34 N ATOM 0 H ARG A 16 -12.010 -2.345 -10.651 1.00 20.41 H new ATOM 0 HA ARG A 16 -10.507 -1.585 -8.365 1.00 14.51 H new ATOM 0 HB2 ARG A 16 -9.903 -2.600 -10.747 1.00 51.31 H new ATOM 0 HB3 ARG A 16 -9.713 -0.910 -11.171 1.00 51.31 H new ATOM 0 HG2 ARG A 16 -7.662 -0.912 -10.226 1.00 11.12 H new ATOM 0 HG3 ARG A 16 -8.382 -1.256 -8.665 1.00 11.12 H new ATOM 0 HD2 ARG A 16 -7.837 -3.449 -10.718 1.00 25.11 H new ATOM 0 HD3 ARG A 16 -6.632 -2.956 -9.546 1.00 25.11 H new ATOM 0 HE ARG A 16 -8.911 -4.662 -9.057 1.00 0.55 H new ATOM 0 HH11 ARG A 16 -6.932 -2.145 -7.475 1.00 41.23 H new ATOM 0 HH12 ARG A 16 -7.309 -2.743 -5.856 1.00 41.23 H new ATOM 0 HH21 ARG A 16 -9.416 -5.308 -6.963 1.00 4.34 H new ATOM 0 HH22 ARG A 16 -8.687 -4.495 -5.574 1.00 4.34 H new ATOM 275 N VAL A 17 -11.581 0.871 -10.355 1.00 60.24 N ATOM 276 CA VAL A 17 -11.847 2.304 -10.356 1.00 31.34 C ATOM 277 C VAL A 17 -12.966 2.589 -9.335 1.00 54.34 C ATOM 278 O VAL A 17 -12.989 3.676 -8.760 1.00 13.20 O ATOM 279 CB VAL A 17 -12.049 2.875 -11.776 1.00 24.32 C ATOM 280 CG1 VAL A 17 -10.740 2.788 -12.576 1.00 33.20 C ATOM 281 CG2 VAL A 17 -13.158 2.204 -12.588 1.00 12.14 C ATOM 0 H VAL A 17 -11.837 0.390 -11.217 1.00 60.24 H new ATOM 0 HA VAL A 17 -10.971 2.861 -10.023 1.00 31.34 H new ATOM 0 HB VAL A 17 -12.357 3.909 -11.619 1.00 24.32 H new ATOM 0 HG11 VAL A 17 -10.897 3.194 -13.575 1.00 33.20 H new ATOM 0 HG12 VAL A 17 -9.965 3.362 -12.069 1.00 33.20 H new ATOM 0 HG13 VAL A 17 -10.429 1.746 -12.652 1.00 33.20 H new ATOM 0 HG21 VAL A 17 -13.224 2.673 -13.570 1.00 12.14 H new ATOM 0 HG22 VAL A 17 -12.932 1.144 -12.706 1.00 12.14 H new ATOM 0 HG23 VAL A 17 -14.109 2.316 -12.067 1.00 12.14 H new ATOM 291 N GLU A 18 -13.901 1.651 -9.105 1.00 14.50 N ATOM 292 CA GLU A 18 -14.988 1.790 -8.129 1.00 65.31 C ATOM 293 C GLU A 18 -14.384 1.823 -6.709 1.00 55.44 C ATOM 294 O GLU A 18 -14.819 2.606 -5.875 1.00 21.53 O ATOM 295 CB GLU A 18 -15.973 0.615 -8.271 1.00 15.43 C ATOM 296 CG GLU A 18 -17.196 0.685 -7.349 1.00 14.53 C ATOM 297 CD GLU A 18 -17.818 -0.695 -7.120 1.00 3.03 C ATOM 298 OE1 GLU A 18 -18.380 -1.291 -8.063 1.00 13.41 O ATOM 299 OE2 GLU A 18 -17.711 -1.216 -5.981 1.00 72.53 O ATOM 0 H GLU A 18 -13.920 0.761 -9.602 1.00 14.50 H new ATOM 0 HA GLU A 18 -15.533 2.716 -8.309 1.00 65.31 H new ATOM 0 HB2 GLU A 18 -16.317 0.571 -9.304 1.00 15.43 H new ATOM 0 HB3 GLU A 18 -15.439 -0.314 -8.073 1.00 15.43 H new ATOM 0 HG2 GLU A 18 -16.904 1.115 -6.391 1.00 14.53 H new ATOM 0 HG3 GLU A 18 -17.941 1.351 -7.784 1.00 14.53 H new ATOM 306 N ASP A 19 -13.366 1.010 -6.433 1.00 60.13 N ATOM 307 CA ASP A 19 -12.660 0.896 -5.153 1.00 33.42 C ATOM 308 C ASP A 19 -11.939 2.209 -4.854 1.00 52.22 C ATOM 309 O ASP A 19 -12.031 2.755 -3.751 1.00 44.14 O ATOM 310 CB ASP A 19 -11.696 -0.308 -5.288 1.00 71.33 C ATOM 311 CG ASP A 19 -10.863 -0.772 -4.100 1.00 1.33 C ATOM 312 OD1 ASP A 19 -9.883 -0.088 -3.716 1.00 5.01 O ATOM 313 OD2 ASP A 19 -10.926 -1.983 -3.760 1.00 13.03 O ATOM 0 H ASP A 19 -12.988 0.375 -7.136 1.00 60.13 H new ATOM 0 HA ASP A 19 -13.333 0.721 -4.314 1.00 33.42 H new ATOM 0 HB2 ASP A 19 -12.291 -1.161 -5.616 1.00 71.33 H new ATOM 0 HB3 ASP A 19 -11.002 -0.075 -6.095 1.00 71.33 H new ATOM 318 N VAL A 20 -11.271 2.757 -5.874 1.00 11.32 N ATOM 319 CA VAL A 20 -10.544 4.011 -5.767 1.00 20.10 C ATOM 320 C VAL A 20 -11.525 5.158 -5.540 1.00 21.14 C ATOM 321 O VAL A 20 -11.439 5.822 -4.508 1.00 40.24 O ATOM 322 CB VAL A 20 -9.630 4.223 -6.990 1.00 45.52 C ATOM 323 CG1 VAL A 20 -8.903 5.571 -6.902 1.00 75.23 C ATOM 324 CG2 VAL A 20 -8.540 3.147 -7.060 1.00 60.53 C ATOM 0 H VAL A 20 -11.224 2.334 -6.801 1.00 11.32 H new ATOM 0 HA VAL A 20 -9.882 3.979 -4.902 1.00 20.10 H new ATOM 0 HB VAL A 20 -10.275 4.180 -7.868 1.00 45.52 H new ATOM 0 HG11 VAL A 20 -8.264 5.698 -7.776 1.00 75.23 H new ATOM 0 HG12 VAL A 20 -9.635 6.378 -6.868 1.00 75.23 H new ATOM 0 HG13 VAL A 20 -8.292 5.597 -6.000 1.00 75.23 H new ATOM 0 HG21 VAL A 20 -7.911 3.323 -7.933 1.00 60.53 H new ATOM 0 HG22 VAL A 20 -7.929 3.189 -6.158 1.00 60.53 H new ATOM 0 HG23 VAL A 20 -9.004 2.164 -7.139 1.00 60.53 H new ATOM 334 N ARG A 21 -12.460 5.417 -6.463 1.00 2.01 N ATOM 335 CA ARG A 21 -13.416 6.520 -6.313 1.00 11.31 C ATOM 336 C ARG A 21 -14.152 6.470 -4.975 1.00 63.22 C ATOM 337 O ARG A 21 -14.403 7.520 -4.386 1.00 11.40 O ATOM 338 CB ARG A 21 -14.400 6.563 -7.507 1.00 52.23 C ATOM 339 CG ARG A 21 -15.416 5.407 -7.527 1.00 34.45 C ATOM 340 CD ARG A 21 -16.660 5.616 -6.660 1.00 14.11 C ATOM 341 NE ARG A 21 -17.755 6.149 -7.464 1.00 22.40 N ATOM 342 CZ ARG A 21 -18.881 5.519 -7.790 1.00 1.12 C ATOM 343 NH1 ARG A 21 -19.102 4.273 -7.401 1.00 34.22 N ATOM 344 NH2 ARG A 21 -19.773 6.165 -8.526 1.00 65.34 N ATOM 0 H ARG A 21 -12.574 4.878 -7.321 1.00 2.01 H new ATOM 0 HA ARG A 21 -12.844 7.448 -6.316 1.00 11.31 H new ATOM 0 HB2 ARG A 21 -14.942 7.508 -7.483 1.00 52.23 H new ATOM 0 HB3 ARG A 21 -13.829 6.546 -8.435 1.00 52.23 H new ATOM 0 HG2 ARG A 21 -15.734 5.242 -8.556 1.00 34.45 H new ATOM 0 HG3 ARG A 21 -14.913 4.497 -7.199 1.00 34.45 H new ATOM 0 HD2 ARG A 21 -16.959 4.671 -6.207 1.00 14.11 H new ATOM 0 HD3 ARG A 21 -16.432 6.302 -5.844 1.00 14.11 H new ATOM 0 HE ARG A 21 -17.646 7.102 -7.812 1.00 22.40 H new ATOM 0 HH11 ARG A 21 -18.404 3.782 -6.843 1.00 34.22 H new ATOM 0 HH12 ARG A 21 -19.970 3.804 -7.659 1.00 34.22 H new ATOM 0 HH21 ARG A 21 -19.588 7.121 -8.828 1.00 65.34 H new ATOM 0 HH22 ARG A 21 -20.645 5.706 -8.790 1.00 65.34 H new ATOM 358 N LEU A 22 -14.501 5.269 -4.504 1.00 3.42 N ATOM 359 CA LEU A 22 -15.221 5.064 -3.260 1.00 42.34 C ATOM 360 C LEU A 22 -14.395 5.589 -2.105 1.00 33.34 C ATOM 361 O LEU A 22 -14.832 6.487 -1.374 1.00 12.34 O ATOM 362 CB LEU A 22 -15.513 3.557 -3.133 1.00 14.10 C ATOM 363 CG LEU A 22 -16.176 3.022 -1.858 1.00 33.53 C ATOM 364 CD1 LEU A 22 -15.188 2.843 -0.700 1.00 62.42 C ATOM 365 CD2 LEU A 22 -17.386 3.874 -1.480 1.00 31.40 C ATOM 0 H LEU A 22 -14.283 4.400 -4.992 1.00 3.42 H new ATOM 0 HA LEU A 22 -16.166 5.608 -3.247 1.00 42.34 H new ATOM 0 HB2 LEU A 22 -16.147 3.275 -3.974 1.00 14.10 H new ATOM 0 HB3 LEU A 22 -14.567 3.029 -3.256 1.00 14.10 H new ATOM 0 HG LEU A 22 -16.538 2.017 -2.076 1.00 33.53 H new ATOM 0 HD11 LEU A 22 -15.717 2.462 0.174 1.00 62.42 H new ATOM 0 HD12 LEU A 22 -14.411 2.136 -0.991 1.00 62.42 H new ATOM 0 HD13 LEU A 22 -14.733 3.803 -0.458 1.00 62.42 H new ATOM 0 HD21 LEU A 22 -17.841 3.477 -0.573 1.00 31.40 H new ATOM 0 HD22 LEU A 22 -17.067 4.902 -1.306 1.00 31.40 H new ATOM 0 HD23 LEU A 22 -18.114 3.852 -2.291 1.00 31.40 H new ATOM 377 N ILE A 23 -13.163 5.096 -1.977 1.00 3.50 N ATOM 378 CA ILE A 23 -12.336 5.538 -0.875 1.00 51.55 C ATOM 379 C ILE A 23 -11.963 7.014 -1.005 1.00 60.13 C ATOM 380 O ILE A 23 -11.877 7.697 0.010 1.00 75.33 O ATOM 381 CB ILE A 23 -11.181 4.552 -0.662 1.00 2.33 C ATOM 382 CG1 ILE A 23 -10.782 4.470 0.820 1.00 3.22 C ATOM 383 CG2 ILE A 23 -9.955 4.861 -1.530 1.00 62.34 C ATOM 384 CD1 ILE A 23 -11.878 3.942 1.756 1.00 4.45 C ATOM 0 H ILE A 23 -12.734 4.414 -2.603 1.00 3.50 H new ATOM 0 HA ILE A 23 -12.898 5.515 0.059 1.00 51.55 H new ATOM 0 HB ILE A 23 -11.557 3.580 -0.981 1.00 2.33 H new ATOM 0 HG12 ILE A 23 -9.906 3.827 0.910 1.00 3.22 H new ATOM 0 HG13 ILE A 23 -10.484 5.463 1.157 1.00 3.22 H new ATOM 0 HG21 ILE A 23 -9.174 4.127 -1.331 1.00 62.34 H new ATOM 0 HG22 ILE A 23 -10.234 4.818 -2.583 1.00 62.34 H new ATOM 0 HG23 ILE A 23 -9.584 5.858 -1.294 1.00 62.34 H new ATOM 0 HD11 ILE A 23 -11.503 3.920 2.779 1.00 4.45 H new ATOM 0 HD12 ILE A 23 -12.749 4.596 1.702 1.00 4.45 H new ATOM 0 HD13 ILE A 23 -12.162 2.934 1.452 1.00 4.45 H new ATOM 396 N ARG A 24 -11.778 7.535 -2.223 1.00 34.11 N ATOM 397 CA ARG A 24 -11.444 8.947 -2.426 1.00 11.11 C ATOM 398 C ARG A 24 -12.626 9.823 -2.002 1.00 45.43 C ATOM 399 O ARG A 24 -12.429 10.954 -1.574 1.00 31.54 O ATOM 400 CB ARG A 24 -11.127 9.246 -3.906 1.00 62.32 C ATOM 401 CG ARG A 24 -10.027 8.385 -4.559 1.00 22.32 C ATOM 402 CD ARG A 24 -8.804 9.159 -5.042 1.00 22.22 C ATOM 403 NE ARG A 24 -8.019 9.660 -3.902 1.00 62.21 N ATOM 404 CZ ARG A 24 -7.439 10.862 -3.830 1.00 44.22 C ATOM 405 NH1 ARG A 24 -7.350 11.644 -4.901 1.00 0.34 N ATOM 406 NH2 ARG A 24 -6.958 11.275 -2.668 1.00 54.24 N ATOM 0 H ARG A 24 -11.855 6.996 -3.086 1.00 34.11 H new ATOM 0 HA ARG A 24 -10.563 9.166 -1.823 1.00 11.11 H new ATOM 0 HB2 ARG A 24 -12.044 9.124 -4.483 1.00 62.32 H new ATOM 0 HB3 ARG A 24 -10.835 10.293 -3.988 1.00 62.32 H new ATOM 0 HG2 ARG A 24 -9.702 7.632 -3.841 1.00 22.32 H new ATOM 0 HG3 ARG A 24 -10.459 7.852 -5.406 1.00 22.32 H new ATOM 0 HD2 ARG A 24 -8.182 8.514 -5.663 1.00 22.22 H new ATOM 0 HD3 ARG A 24 -9.120 9.994 -5.667 1.00 22.22 H new ATOM 0 HE ARG A 24 -7.909 9.038 -3.101 1.00 62.21 H new ATOM 0 HH11 ARG A 24 -7.727 11.330 -5.795 1.00 0.34 H new ATOM 0 HH12 ARG A 24 -6.904 12.559 -4.829 1.00 0.34 H new ATOM 0 HH21 ARG A 24 -7.033 10.678 -1.844 1.00 54.24 H new ATOM 0 HH22 ARG A 24 -6.512 12.190 -2.597 1.00 54.24 H new ATOM 420 N GLU A 25 -13.854 9.320 -2.107 1.00 0.21 N ATOM 421 CA GLU A 25 -15.055 10.058 -1.756 1.00 3.30 C ATOM 422 C GLU A 25 -15.216 10.154 -0.243 1.00 34.22 C ATOM 423 O GLU A 25 -15.408 11.252 0.286 1.00 3.55 O ATOM 424 CB GLU A 25 -16.258 9.406 -2.438 1.00 73.32 C ATOM 425 CG GLU A 25 -17.534 10.223 -2.246 1.00 45.01 C ATOM 426 CD GLU A 25 -18.648 9.747 -3.174 1.00 24.32 C ATOM 427 OE1 GLU A 25 -18.532 9.944 -4.408 1.00 32.40 O ATOM 428 OE2 GLU A 25 -19.674 9.240 -2.669 1.00 43.23 O ATOM 0 H GLU A 25 -14.040 8.375 -2.443 1.00 0.21 H new ATOM 0 HA GLU A 25 -14.978 11.084 -2.115 1.00 3.30 H new ATOM 0 HB2 GLU A 25 -16.055 9.295 -3.503 1.00 73.32 H new ATOM 0 HB3 GLU A 25 -16.405 8.404 -2.035 1.00 73.32 H new ATOM 0 HG2 GLU A 25 -17.864 10.146 -1.210 1.00 45.01 H new ATOM 0 HG3 GLU A 25 -17.325 11.276 -2.436 1.00 45.01 H new ATOM 435 N GLN A 26 -15.160 9.030 0.475 1.00 3.14 N ATOM 436 CA GLN A 26 -15.296 9.078 1.935 1.00 12.43 C ATOM 437 C GLN A 26 -14.025 9.615 2.602 1.00 33.30 C ATOM 438 O GLN A 26 -14.115 10.335 3.601 1.00 44.33 O ATOM 439 CB GLN A 26 -15.752 7.730 2.502 1.00 52.31 C ATOM 440 CG GLN A 26 -14.840 6.554 2.140 1.00 44.41 C ATOM 441 CD GLN A 26 -15.529 5.214 2.352 1.00 74.24 C ATOM 442 OE1 GLN A 26 -15.072 4.393 3.135 1.00 71.43 O ATOM 443 NE2 GLN A 26 -16.608 4.945 1.634 1.00 14.14 N ATOM 0 H GLN A 26 -15.025 8.098 0.084 1.00 3.14 H new ATOM 0 HA GLN A 26 -16.086 9.790 2.175 1.00 12.43 H new ATOM 0 HB2 GLN A 26 -15.812 7.807 3.588 1.00 52.31 H new ATOM 0 HB3 GLN A 26 -16.759 7.519 2.141 1.00 52.31 H new ATOM 0 HG2 GLN A 26 -14.531 6.642 1.099 1.00 44.41 H new ATOM 0 HG3 GLN A 26 -13.935 6.597 2.746 1.00 44.41 H new ATOM 0 HE21 GLN A 26 -16.976 5.641 0.986 1.00 14.14 H new ATOM 0 HE22 GLN A 26 -17.072 4.041 1.729 1.00 14.14 H new ATOM 452 N HIS A 27 -12.854 9.339 2.022 1.00 22.41 N ATOM 453 CA HIS A 27 -11.554 9.757 2.533 1.00 12.31 C ATOM 454 C HIS A 27 -10.759 10.524 1.466 1.00 63.24 C ATOM 455 O HIS A 27 -9.757 10.019 0.949 1.00 52.45 O ATOM 456 CB HIS A 27 -10.791 8.538 3.079 1.00 60.11 C ATOM 457 CG HIS A 27 -11.350 8.014 4.373 1.00 11.01 C ATOM 458 ND1 HIS A 27 -11.340 8.698 5.566 1.00 2.21 N ATOM 459 CD2 HIS A 27 -11.908 6.786 4.596 1.00 53.12 C ATOM 460 CE1 HIS A 27 -11.920 7.920 6.494 1.00 34.44 C ATOM 461 NE2 HIS A 27 -12.253 6.734 5.950 1.00 12.44 N ATOM 0 H HIS A 27 -12.787 8.802 1.158 1.00 22.41 H new ATOM 0 HA HIS A 27 -11.700 10.452 3.360 1.00 12.31 H new ATOM 0 HB2 HIS A 27 -10.812 7.742 2.334 1.00 60.11 H new ATOM 0 HB3 HIS A 27 -9.746 8.809 3.227 1.00 60.11 H new ATOM 0 HD2 HIS A 27 -12.055 6.004 3.865 1.00 53.12 H new ATOM 0 HE1 HIS A 27 -12.093 8.203 7.522 1.00 34.44 H new ATOM 0 HE2 HIS A 27 -12.678 5.944 6.436 1.00 12.44 H new ATOM 469 N PRO A 28 -11.134 11.778 1.156 1.00 72.11 N ATOM 470 CA PRO A 28 -10.437 12.573 0.153 1.00 22.25 C ATOM 471 C PRO A 28 -9.015 12.928 0.578 1.00 51.34 C ATOM 472 O PRO A 28 -8.192 13.195 -0.293 1.00 74.24 O ATOM 473 CB PRO A 28 -11.309 13.808 -0.083 1.00 74.11 C ATOM 474 CG PRO A 28 -12.083 13.958 1.224 1.00 41.44 C ATOM 475 CD PRO A 28 -12.273 12.513 1.677 1.00 12.23 C ATOM 0 HA PRO A 28 -10.305 12.011 -0.771 1.00 22.25 H new ATOM 0 HB2 PRO A 28 -10.705 14.690 -0.294 1.00 74.11 H new ATOM 0 HB3 PRO A 28 -11.979 13.669 -0.932 1.00 74.11 H new ATOM 0 HG2 PRO A 28 -11.527 14.541 1.958 1.00 41.44 H new ATOM 0 HG3 PRO A 28 -13.037 14.462 1.073 1.00 41.44 H new ATOM 0 HD2 PRO A 28 -12.316 12.447 2.764 1.00 12.23 H new ATOM 0 HD3 PRO A 28 -13.209 12.104 1.296 1.00 12.23 H new ATOM 483 N THR A 29 -8.688 12.890 1.876 1.00 33.10 N ATOM 484 CA THR A 29 -7.342 13.214 2.329 1.00 44.53 C ATOM 485 C THR A 29 -6.439 11.971 2.341 1.00 4.00 C ATOM 486 O THR A 29 -5.266 12.060 2.718 1.00 12.24 O ATOM 487 CB THR A 29 -7.389 13.902 3.701 1.00 35.55 C ATOM 488 OG1 THR A 29 -7.974 13.065 4.678 1.00 22.40 O ATOM 489 CG2 THR A 29 -8.185 15.211 3.661 1.00 14.42 C ATOM 0 H THR A 29 -9.337 12.639 2.622 1.00 33.10 H new ATOM 0 HA THR A 29 -6.901 13.915 1.620 1.00 44.53 H new ATOM 0 HB THR A 29 -6.353 14.116 3.963 1.00 35.55 H new ATOM 0 HG1 THR A 29 -7.988 13.530 5.541 1.00 22.40 H new ATOM 0 HG21 THR A 29 -8.192 15.663 4.653 1.00 14.42 H new ATOM 0 HG22 THR A 29 -7.721 15.897 2.953 1.00 14.42 H new ATOM 0 HG23 THR A 29 -9.209 15.005 3.349 1.00 14.42 H new ATOM 497 N LYS A 30 -6.945 10.803 1.913 1.00 32.22 N ATOM 498 CA LYS A 30 -6.181 9.566 1.875 1.00 25.53 C ATOM 499 C LYS A 30 -5.869 9.248 0.426 1.00 44.14 C ATOM 500 O LYS A 30 -6.666 9.478 -0.488 1.00 11.10 O ATOM 501 CB LYS A 30 -6.948 8.392 2.514 1.00 40.02 C ATOM 502 CG LYS A 30 -7.135 8.466 4.041 1.00 21.54 C ATOM 503 CD LYS A 30 -5.789 8.493 4.786 1.00 2.14 C ATOM 504 CE LYS A 30 -5.758 8.033 6.259 1.00 25.34 C ATOM 505 NZ LYS A 30 -6.718 6.964 6.616 1.00 13.11 N ATOM 0 H LYS A 30 -7.905 10.700 1.583 1.00 32.22 H new ATOM 0 HA LYS A 30 -5.266 9.702 2.452 1.00 25.53 H new ATOM 0 HB2 LYS A 30 -7.932 8.329 2.049 1.00 40.02 H new ATOM 0 HB3 LYS A 30 -6.423 7.467 2.276 1.00 40.02 H new ATOM 0 HG2 LYS A 30 -7.707 9.359 4.293 1.00 21.54 H new ATOM 0 HG3 LYS A 30 -7.718 7.608 4.377 1.00 21.54 H new ATOM 0 HD2 LYS A 30 -5.088 7.871 4.229 1.00 2.14 H new ATOM 0 HD3 LYS A 30 -5.409 9.514 4.749 1.00 2.14 H new ATOM 0 HE2 LYS A 30 -4.751 7.685 6.491 1.00 25.34 H new ATOM 0 HE3 LYS A 30 -5.951 8.897 6.895 1.00 25.34 H new ATOM 0 HZ1 LYS A 30 -6.605 6.717 7.620 1.00 13.11 H new ATOM 0 HZ2 LYS A 30 -7.688 7.299 6.449 1.00 13.11 H new ATOM 0 HZ3 LYS A 30 -6.536 6.124 6.030 1.00 13.11 H new ATOM 519 N ILE A 31 -4.680 8.707 0.227 1.00 43.02 N ATOM 520 CA ILE A 31 -4.144 8.301 -1.046 1.00 42.44 C ATOM 521 C ILE A 31 -4.209 6.761 -1.000 1.00 40.41 C ATOM 522 O ILE A 31 -3.613 6.168 -0.092 1.00 53.43 O ATOM 523 CB ILE A 31 -2.713 8.877 -1.242 1.00 54.54 C ATOM 524 CG1 ILE A 31 -2.555 10.404 -1.018 1.00 31.12 C ATOM 525 CG2 ILE A 31 -2.188 8.507 -2.639 1.00 3.40 C ATOM 526 CD1 ILE A 31 -3.544 11.298 -1.771 1.00 21.14 C ATOM 0 H ILE A 31 -4.033 8.533 0.996 1.00 43.02 H new ATOM 0 HA ILE A 31 -4.696 8.679 -1.906 1.00 42.44 H new ATOM 0 HB ILE A 31 -2.122 8.415 -0.451 1.00 54.54 H new ATOM 0 HG12 ILE A 31 -2.652 10.607 0.049 1.00 31.12 H new ATOM 0 HG13 ILE A 31 -1.544 10.691 -1.307 1.00 31.12 H new ATOM 0 HG21 ILE A 31 -1.185 8.913 -2.770 1.00 3.40 H new ATOM 0 HG22 ILE A 31 -2.156 7.422 -2.740 1.00 3.40 H new ATOM 0 HG23 ILE A 31 -2.850 8.923 -3.398 1.00 3.40 H new ATOM 0 HD11 ILE A 31 -3.339 12.343 -1.539 1.00 21.14 H new ATOM 0 HD12 ILE A 31 -3.436 11.137 -2.844 1.00 21.14 H new ATOM 0 HD13 ILE A 31 -4.561 11.051 -1.467 1.00 21.14 H new ATOM 538 N PRO A 32 -4.978 6.102 -1.885 1.00 54.35 N ATOM 539 CA PRO A 32 -5.087 4.647 -1.952 1.00 72.43 C ATOM 540 C PRO A 32 -3.829 4.055 -2.616 1.00 42.02 C ATOM 541 O PRO A 32 -3.657 4.119 -3.832 1.00 11.20 O ATOM 542 CB PRO A 32 -6.341 4.388 -2.783 1.00 12.23 C ATOM 543 CG PRO A 32 -6.476 5.609 -3.696 1.00 21.55 C ATOM 544 CD PRO A 32 -5.748 6.727 -2.953 1.00 54.13 C ATOM 0 HA PRO A 32 -5.161 4.180 -0.970 1.00 72.43 H new ATOM 0 HB2 PRO A 32 -6.246 3.471 -3.364 1.00 12.23 H new ATOM 0 HB3 PRO A 32 -7.218 4.273 -2.147 1.00 12.23 H new ATOM 0 HG2 PRO A 32 -6.029 5.425 -4.673 1.00 21.55 H new ATOM 0 HG3 PRO A 32 -7.522 5.862 -3.867 1.00 21.55 H new ATOM 0 HD2 PRO A 32 -5.093 7.276 -3.629 1.00 54.13 H new ATOM 0 HD3 PRO A 32 -6.459 7.445 -2.545 1.00 54.13 H new ATOM 552 N VAL A 33 -2.968 3.398 -1.845 1.00 0.31 N ATOM 553 CA VAL A 33 -1.717 2.815 -2.313 1.00 4.12 C ATOM 554 C VAL A 33 -1.738 1.283 -2.155 1.00 23.33 C ATOM 555 O VAL A 33 -2.452 0.754 -1.295 1.00 64.23 O ATOM 556 CB VAL A 33 -0.560 3.522 -1.574 1.00 0.31 C ATOM 557 CG1 VAL A 33 -0.765 5.029 -1.434 1.00 1.52 C ATOM 558 CG2 VAL A 33 -0.296 2.975 -0.166 1.00 71.41 C ATOM 0 H VAL A 33 -3.127 3.253 -0.848 1.00 0.31 H new ATOM 0 HA VAL A 33 -1.572 2.977 -3.381 1.00 4.12 H new ATOM 0 HB VAL A 33 0.297 3.315 -2.214 1.00 0.31 H new ATOM 0 HG11 VAL A 33 0.083 5.464 -0.906 1.00 1.52 H new ATOM 0 HG12 VAL A 33 -0.846 5.479 -2.424 1.00 1.52 H new ATOM 0 HG13 VAL A 33 -1.679 5.221 -0.872 1.00 1.52 H new ATOM 0 HG21 VAL A 33 0.530 3.522 0.288 1.00 71.41 H new ATOM 0 HG22 VAL A 33 -1.190 3.096 0.445 1.00 71.41 H new ATOM 0 HG23 VAL A 33 -0.040 1.917 -0.229 1.00 71.41 H new ATOM 568 N ILE A 34 -1.011 0.559 -3.004 1.00 40.21 N ATOM 569 CA ILE A 34 -0.873 -0.891 -3.022 1.00 62.31 C ATOM 570 C ILE A 34 0.570 -1.195 -2.614 1.00 54.44 C ATOM 571 O ILE A 34 1.492 -0.703 -3.268 1.00 2.01 O ATOM 572 CB ILE A 34 -1.158 -1.452 -4.437 1.00 33.50 C ATOM 573 CG1 ILE A 34 -2.602 -1.250 -4.935 1.00 60.13 C ATOM 574 CG2 ILE A 34 -0.774 -2.932 -4.590 1.00 32.34 C ATOM 575 CD1 ILE A 34 -3.705 -1.934 -4.110 1.00 62.22 C ATOM 0 H ILE A 34 -0.468 1.002 -3.745 1.00 40.21 H new ATOM 0 HA ILE A 34 -1.585 -1.357 -2.341 1.00 62.31 H new ATOM 0 HB ILE A 34 -0.509 -0.846 -5.070 1.00 33.50 H new ATOM 0 HG12 ILE A 34 -2.808 -0.180 -4.963 1.00 60.13 H new ATOM 0 HG13 ILE A 34 -2.665 -1.614 -5.960 1.00 60.13 H new ATOM 0 HG21 ILE A 34 -0.999 -3.263 -5.604 1.00 32.34 H new ATOM 0 HG22 ILE A 34 0.292 -3.053 -4.397 1.00 32.34 H new ATOM 0 HG23 ILE A 34 -1.342 -3.531 -3.878 1.00 32.34 H new ATOM 0 HD11 ILE A 34 -4.677 -1.722 -4.555 1.00 62.22 H new ATOM 0 HD12 ILE A 34 -3.538 -3.011 -4.101 1.00 62.22 H new ATOM 0 HD13 ILE A 34 -3.683 -1.555 -3.088 1.00 62.22 H new ATOM 587 N ILE A 35 0.784 -1.978 -1.556 1.00 4.22 N ATOM 588 CA ILE A 35 2.118 -2.365 -1.089 1.00 74.12 C ATOM 589 C ILE A 35 2.182 -3.881 -1.262 1.00 33.40 C ATOM 590 O ILE A 35 1.459 -4.589 -0.554 1.00 53.34 O ATOM 591 CB ILE A 35 2.422 -1.922 0.371 1.00 4.02 C ATOM 592 CG1 ILE A 35 2.046 -0.444 0.630 1.00 4.11 C ATOM 593 CG2 ILE A 35 3.933 -2.122 0.615 1.00 14.02 C ATOM 594 CD1 ILE A 35 2.280 0.021 2.074 1.00 40.03 C ATOM 0 H ILE A 35 0.028 -2.366 -0.992 1.00 4.22 H new ATOM 0 HA ILE A 35 2.888 -1.857 -1.669 1.00 74.12 H new ATOM 0 HB ILE A 35 1.821 -2.524 1.053 1.00 4.02 H new ATOM 0 HG12 ILE A 35 2.625 0.190 -0.042 1.00 4.11 H new ATOM 0 HG13 ILE A 35 0.995 -0.299 0.379 1.00 4.11 H new ATOM 0 HG21 ILE A 35 4.180 -1.820 1.633 1.00 14.02 H new ATOM 0 HG22 ILE A 35 4.188 -3.173 0.476 1.00 14.02 H new ATOM 0 HG23 ILE A 35 4.499 -1.515 -0.091 1.00 14.02 H new ATOM 0 HD11 ILE A 35 1.991 1.068 2.171 1.00 40.03 H new ATOM 0 HD12 ILE A 35 1.680 -0.585 2.753 1.00 40.03 H new ATOM 0 HD13 ILE A 35 3.335 -0.089 2.325 1.00 40.03 H new ATOM 606 N GLU A 36 2.990 -4.388 -2.200 1.00 3.50 N ATOM 607 CA GLU A 36 3.125 -5.830 -2.436 1.00 22.30 C ATOM 608 C GLU A 36 4.603 -6.254 -2.341 1.00 75.32 C ATOM 609 O GLU A 36 5.513 -5.423 -2.395 1.00 71.44 O ATOM 610 CB GLU A 36 2.420 -6.212 -3.759 1.00 40.02 C ATOM 611 CG GLU A 36 1.962 -7.680 -3.765 1.00 23.41 C ATOM 612 CD GLU A 36 1.104 -8.051 -4.981 1.00 20.22 C ATOM 613 OE1 GLU A 36 1.663 -8.474 -6.018 1.00 31.42 O ATOM 614 OE2 GLU A 36 -0.145 -7.965 -4.925 1.00 11.21 O ATOM 0 H GLU A 36 3.566 -3.813 -2.815 1.00 3.50 H new ATOM 0 HA GLU A 36 2.618 -6.398 -1.656 1.00 22.30 H new ATOM 0 HB2 GLU A 36 1.558 -5.563 -3.911 1.00 40.02 H new ATOM 0 HB3 GLU A 36 3.099 -6.041 -4.594 1.00 40.02 H new ATOM 0 HG2 GLU A 36 2.840 -8.326 -3.740 1.00 23.41 H new ATOM 0 HG3 GLU A 36 1.394 -7.878 -2.856 1.00 23.41 H new ATOM 621 N ARG A 37 4.848 -7.546 -2.129 1.00 3.12 N ATOM 622 CA ARG A 37 6.189 -8.098 -2.007 1.00 35.44 C ATOM 623 C ARG A 37 6.782 -8.331 -3.398 1.00 63.23 C ATOM 624 O ARG A 37 6.043 -8.633 -4.340 1.00 25.34 O ATOM 625 CB ARG A 37 6.044 -9.426 -1.231 1.00 40.33 C ATOM 626 CG ARG A 37 7.395 -10.035 -0.838 1.00 2.01 C ATOM 627 CD ARG A 37 7.377 -11.566 -0.766 1.00 0.20 C ATOM 628 NE ARG A 37 7.014 -12.149 -2.067 1.00 32.23 N ATOM 629 CZ ARG A 37 7.005 -13.450 -2.379 1.00 15.33 C ATOM 630 NH1 ARG A 37 7.656 -14.332 -1.637 1.00 2.51 N ATOM 631 NH2 ARG A 37 6.321 -13.851 -3.439 1.00 0.41 N ATOM 0 H ARG A 37 4.110 -8.244 -2.037 1.00 3.12 H new ATOM 0 HA ARG A 37 6.862 -7.420 -1.481 1.00 35.44 H new ATOM 0 HB2 ARG A 37 5.453 -9.253 -0.332 1.00 40.33 H new ATOM 0 HB3 ARG A 37 5.493 -10.140 -1.842 1.00 40.33 H new ATOM 0 HG2 ARG A 37 8.150 -9.722 -1.560 1.00 2.01 H new ATOM 0 HG3 ARG A 37 7.696 -9.637 0.131 1.00 2.01 H new ATOM 0 HD2 ARG A 37 8.357 -11.931 -0.460 1.00 0.20 H new ATOM 0 HD3 ARG A 37 6.665 -11.890 -0.007 1.00 0.20 H new ATOM 0 HE ARG A 37 6.743 -11.497 -2.803 1.00 32.23 H new ATOM 0 HH11 ARG A 37 8.174 -14.023 -0.814 1.00 2.51 H new ATOM 0 HH12 ARG A 37 7.640 -15.321 -1.888 1.00 2.51 H new ATOM 0 HH21 ARG A 37 5.811 -13.172 -4.004 1.00 0.41 H new ATOM 0 HH22 ARG A 37 6.304 -14.839 -3.691 1.00 0.41 H new ATOM 645 N TYR A 38 8.098 -8.178 -3.564 1.00 44.51 N ATOM 646 CA TYR A 38 8.715 -8.456 -4.856 1.00 72.35 C ATOM 647 C TYR A 38 8.650 -9.972 -5.101 1.00 14.15 C ATOM 648 O TYR A 38 8.748 -10.751 -4.152 1.00 11.41 O ATOM 649 CB TYR A 38 10.166 -7.980 -4.910 1.00 60.43 C ATOM 650 CG TYR A 38 10.819 -8.240 -6.255 1.00 43.22 C ATOM 651 CD1 TYR A 38 10.188 -7.816 -7.442 1.00 53.23 C ATOM 652 CD2 TYR A 38 12.031 -8.954 -6.325 1.00 53.23 C ATOM 653 CE1 TYR A 38 10.757 -8.104 -8.693 1.00 15.04 C ATOM 654 CE2 TYR A 38 12.604 -9.249 -7.573 1.00 63.33 C ATOM 655 CZ TYR A 38 11.969 -8.822 -8.760 1.00 2.42 C ATOM 656 OH TYR A 38 12.516 -9.099 -9.971 1.00 41.12 O ATOM 0 H TYR A 38 8.742 -7.870 -2.836 1.00 44.51 H new ATOM 0 HA TYR A 38 8.172 -7.914 -5.630 1.00 72.35 H new ATOM 0 HB2 TYR A 38 10.202 -6.912 -4.694 1.00 60.43 H new ATOM 0 HB3 TYR A 38 10.738 -8.483 -4.130 1.00 60.43 H new ATOM 0 HD1 TYR A 38 9.260 -7.266 -7.389 1.00 53.23 H new ATOM 0 HD2 TYR A 38 12.521 -9.275 -5.418 1.00 53.23 H new ATOM 0 HE1 TYR A 38 10.269 -7.777 -9.599 1.00 15.04 H new ATOM 0 HE2 TYR A 38 13.530 -9.802 -7.625 1.00 63.33 H new ATOM 0 HH TYR A 38 13.350 -9.599 -9.847 1.00 41.12 H new ATOM 666 N LYS A 39 8.554 -10.415 -6.359 1.00 53.45 N ATOM 667 CA LYS A 39 8.479 -11.842 -6.688 1.00 31.40 C ATOM 668 C LYS A 39 9.714 -12.645 -6.263 1.00 51.44 C ATOM 669 O LYS A 39 9.606 -13.852 -6.049 1.00 0.04 O ATOM 670 CB LYS A 39 8.184 -12.034 -8.186 1.00 21.40 C ATOM 671 CG LYS A 39 9.337 -11.617 -9.121 1.00 2.53 C ATOM 672 CD LYS A 39 8.927 -11.823 -10.582 1.00 74.32 C ATOM 673 CE LYS A 39 10.049 -11.575 -11.600 1.00 22.50 C ATOM 674 NZ LYS A 39 10.491 -10.166 -11.681 1.00 21.41 N ATOM 0 H LYS A 39 8.526 -9.800 -7.172 1.00 53.45 H new ATOM 0 HA LYS A 39 7.653 -12.245 -6.102 1.00 31.40 H new ATOM 0 HB2 LYS A 39 7.948 -13.083 -8.366 1.00 21.40 H new ATOM 0 HB3 LYS A 39 7.296 -11.458 -8.446 1.00 21.40 H new ATOM 0 HG2 LYS A 39 9.594 -10.572 -8.951 1.00 2.53 H new ATOM 0 HG3 LYS A 39 10.228 -12.205 -8.898 1.00 2.53 H new ATOM 0 HD2 LYS A 39 8.563 -12.843 -10.703 1.00 74.32 H new ATOM 0 HD3 LYS A 39 8.094 -11.158 -10.809 1.00 74.32 H new ATOM 0 HE2 LYS A 39 10.905 -12.198 -11.341 1.00 22.50 H new ATOM 0 HE3 LYS A 39 9.709 -11.895 -12.585 1.00 22.50 H new ATOM 0 HZ1 LYS A 39 10.873 -9.976 -12.629 1.00 21.41 H new ATOM 0 HZ2 LYS A 39 9.682 -9.538 -11.502 1.00 21.41 H new ATOM 0 HZ3 LYS A 39 11.229 -9.992 -10.969 1.00 21.41 H new ATOM 688 N GLY A 40 10.881 -12.006 -6.161 1.00 61.44 N ATOM 689 CA GLY A 40 12.124 -12.658 -5.763 1.00 64.21 C ATOM 690 C GLY A 40 12.404 -12.524 -4.268 1.00 12.24 C ATOM 691 O GLY A 40 13.401 -13.056 -3.780 1.00 63.11 O ATOM 0 H GLY A 40 10.988 -11.010 -6.355 1.00 61.44 H new ATOM 0 HA2 GLY A 40 12.077 -13.715 -6.027 1.00 64.21 H new ATOM 0 HA3 GLY A 40 12.953 -12.226 -6.324 1.00 64.21 H new ATOM 695 N GLU A 41 11.563 -11.793 -3.532 1.00 25.50 N ATOM 696 CA GLU A 41 11.733 -11.584 -2.108 1.00 14.21 C ATOM 697 C GLU A 41 11.411 -12.879 -1.357 1.00 31.42 C ATOM 698 O GLU A 41 10.268 -13.347 -1.333 1.00 0.30 O ATOM 699 CB GLU A 41 10.874 -10.400 -1.672 1.00 44.31 C ATOM 700 CG GLU A 41 11.157 -9.928 -0.242 1.00 21.53 C ATOM 701 CD GLU A 41 12.645 -10.014 0.100 1.00 32.52 C ATOM 702 OE1 GLU A 41 13.443 -9.143 -0.300 1.00 31.21 O ATOM 703 OE2 GLU A 41 13.022 -11.048 0.688 1.00 21.42 O ATOM 0 H GLU A 41 10.741 -11.329 -3.919 1.00 25.50 H new ATOM 0 HA GLU A 41 12.767 -11.335 -1.868 1.00 14.21 H new ATOM 0 HB2 GLU A 41 11.040 -9.570 -2.359 1.00 44.31 H new ATOM 0 HB3 GLU A 41 9.823 -10.676 -1.753 1.00 44.31 H new ATOM 0 HG2 GLU A 41 10.816 -8.899 -0.124 1.00 21.53 H new ATOM 0 HG3 GLU A 41 10.587 -10.535 0.461 1.00 21.53 H new ATOM 710 N LYS A 42 12.436 -13.485 -0.757 1.00 73.34 N ATOM 711 CA LYS A 42 12.324 -14.738 -0.011 1.00 20.11 C ATOM 712 C LYS A 42 12.841 -14.651 1.416 1.00 44.43 C ATOM 713 O LYS A 42 12.812 -15.661 2.132 1.00 44.53 O ATOM 714 CB LYS A 42 13.009 -15.852 -0.816 1.00 71.41 C ATOM 715 CG LYS A 42 12.152 -16.313 -2.004 1.00 11.20 C ATOM 716 CD LYS A 42 11.015 -17.244 -1.536 1.00 0.42 C ATOM 717 CE LYS A 42 10.095 -17.720 -2.663 1.00 13.20 C ATOM 718 NZ LYS A 42 9.000 -18.573 -2.145 1.00 34.23 N ATOM 0 H LYS A 42 13.385 -13.111 -0.776 1.00 73.34 H new ATOM 0 HA LYS A 42 11.265 -14.969 0.106 1.00 20.11 H new ATOM 0 HB2 LYS A 42 13.973 -15.496 -1.181 1.00 71.41 H new ATOM 0 HB3 LYS A 42 13.209 -16.701 -0.162 1.00 71.41 H new ATOM 0 HG2 LYS A 42 11.731 -15.445 -2.512 1.00 11.20 H new ATOM 0 HG3 LYS A 42 12.778 -16.833 -2.729 1.00 11.20 H new ATOM 0 HD2 LYS A 42 11.451 -18.114 -1.045 1.00 0.42 H new ATOM 0 HD3 LYS A 42 10.417 -16.723 -0.789 1.00 0.42 H new ATOM 0 HE2 LYS A 42 9.673 -16.857 -3.179 1.00 13.20 H new ATOM 0 HE3 LYS A 42 10.676 -18.278 -3.398 1.00 13.20 H new ATOM 0 HZ1 LYS A 42 8.395 -18.879 -2.934 1.00 34.23 H new ATOM 0 HZ2 LYS A 42 9.403 -19.408 -1.674 1.00 34.23 H new ATOM 0 HZ3 LYS A 42 8.432 -18.032 -1.462 1.00 34.23 H new ATOM 732 N GLN A 43 13.368 -13.506 1.843 1.00 40.11 N ATOM 733 CA GLN A 43 13.858 -13.322 3.184 1.00 1.02 C ATOM 734 C GLN A 43 12.840 -12.490 3.954 1.00 41.43 C ATOM 735 O GLN A 43 12.511 -12.839 5.089 1.00 61.22 O ATOM 736 CB GLN A 43 15.293 -12.766 3.193 1.00 71.11 C ATOM 737 CG GLN A 43 15.527 -11.450 2.434 1.00 1.45 C ATOM 738 CD GLN A 43 16.121 -11.561 1.025 1.00 71.21 C ATOM 739 OE1 GLN A 43 15.716 -12.517 0.197 1.00 74.34 O flip ATOM 740 NE2 GLN A 43 17.005 -10.783 0.679 1.00 12.54 N flip ATOM 0 H GLN A 43 13.463 -12.679 1.253 1.00 40.11 H new ATOM 0 HA GLN A 43 13.951 -14.278 3.699 1.00 1.02 H new ATOM 0 HB2 GLN A 43 15.595 -12.619 4.230 1.00 71.11 H new ATOM 0 HB3 GLN A 43 15.954 -13.524 2.773 1.00 71.11 H new ATOM 0 HG2 GLN A 43 14.574 -10.926 2.361 1.00 1.45 H new ATOM 0 HG3 GLN A 43 16.189 -10.825 3.034 1.00 1.45 H new ATOM 0 HE21 GLN A 43 17.316 -10.049 1.315 1.00 12.54 H new ATOM 0 HE22 GLN A 43 17.429 -10.871 -0.245 1.00 12.54 H new ATOM 749 N LEU A 44 12.310 -11.418 3.360 1.00 2.31 N ATOM 750 CA LEU A 44 11.345 -10.572 4.053 1.00 43.54 C ATOM 751 C LEU A 44 9.963 -11.234 4.030 1.00 5.43 C ATOM 752 O LEU A 44 9.616 -11.865 3.028 1.00 51.11 O ATOM 753 CB LEU A 44 11.268 -9.178 3.422 1.00 51.32 C ATOM 754 CG LEU A 44 12.604 -8.439 3.246 1.00 45.44 C ATOM 755 CD1 LEU A 44 12.304 -7.041 2.704 1.00 62.34 C ATOM 756 CD2 LEU A 44 13.413 -8.343 4.541 1.00 14.20 C ATOM 0 H LEU A 44 12.532 -11.120 2.410 1.00 2.31 H new ATOM 0 HA LEU A 44 11.677 -10.455 5.085 1.00 43.54 H new ATOM 0 HB2 LEU A 44 10.796 -9.270 2.444 1.00 51.32 H new ATOM 0 HB3 LEU A 44 10.613 -8.560 4.035 1.00 51.32 H new ATOM 0 HG LEU A 44 13.220 -9.008 2.550 1.00 45.44 H new ATOM 0 HD11 LEU A 44 13.238 -6.495 2.570 1.00 62.34 H new ATOM 0 HD12 LEU A 44 11.792 -7.125 1.746 1.00 62.34 H new ATOM 0 HD13 LEU A 44 11.669 -6.506 3.410 1.00 62.34 H new ATOM 0 HD21 LEU A 44 14.345 -7.810 4.349 1.00 14.20 H new ATOM 0 HD22 LEU A 44 12.835 -7.804 5.292 1.00 14.20 H new ATOM 0 HD23 LEU A 44 13.637 -9.346 4.905 1.00 14.20 H new ATOM 768 N PRO A 45 9.156 -11.108 5.096 1.00 61.25 N ATOM 769 CA PRO A 45 7.828 -11.702 5.142 1.00 41.31 C ATOM 770 C PRO A 45 6.845 -10.851 4.329 1.00 40.45 C ATOM 771 O PRO A 45 7.171 -9.733 3.902 1.00 51.03 O ATOM 772 CB PRO A 45 7.471 -11.744 6.628 1.00 33.12 C ATOM 773 CG PRO A 45 8.169 -10.510 7.186 1.00 61.33 C ATOM 774 CD PRO A 45 9.439 -10.400 6.333 1.00 3.14 C ATOM 0 HA PRO A 45 7.788 -12.700 4.705 1.00 41.31 H new ATOM 0 HB2 PRO A 45 6.393 -11.703 6.785 1.00 33.12 H new ATOM 0 HB3 PRO A 45 7.828 -12.658 7.103 1.00 33.12 H new ATOM 0 HG2 PRO A 45 7.546 -9.621 7.094 1.00 61.33 H new ATOM 0 HG3 PRO A 45 8.405 -10.626 8.244 1.00 61.33 H new ATOM 0 HD2 PRO A 45 9.688 -9.357 6.137 1.00 3.14 H new ATOM 0 HD3 PRO A 45 10.293 -10.840 6.847 1.00 3.14 H new ATOM 782 N VAL A 46 5.646 -11.379 4.096 1.00 20.30 N ATOM 783 CA VAL A 46 4.591 -10.711 3.352 1.00 23.22 C ATOM 784 C VAL A 46 3.773 -9.818 4.299 1.00 43.44 C ATOM 785 O VAL A 46 3.916 -9.874 5.524 1.00 21.14 O ATOM 786 CB VAL A 46 3.781 -11.783 2.585 1.00 64.32 C ATOM 787 CG1 VAL A 46 2.761 -12.542 3.445 1.00 45.12 C ATOM 788 CG2 VAL A 46 3.099 -11.195 1.343 1.00 44.41 C ATOM 0 H VAL A 46 5.379 -12.305 4.429 1.00 20.30 H new ATOM 0 HA VAL A 46 4.984 -10.029 2.598 1.00 23.22 H new ATOM 0 HB VAL A 46 4.522 -12.519 2.273 1.00 64.32 H new ATOM 0 HG11 VAL A 46 2.238 -13.273 2.829 1.00 45.12 H new ATOM 0 HG12 VAL A 46 3.279 -13.055 4.256 1.00 45.12 H new ATOM 0 HG13 VAL A 46 2.041 -11.838 3.862 1.00 45.12 H new ATOM 0 HG21 VAL A 46 2.540 -11.978 0.830 1.00 44.41 H new ATOM 0 HG22 VAL A 46 2.417 -10.400 1.644 1.00 44.41 H new ATOM 0 HG23 VAL A 46 3.855 -10.789 0.671 1.00 44.41 H new ATOM 798 N LEU A 47 2.961 -8.931 3.726 1.00 55.02 N ATOM 799 CA LEU A 47 2.084 -8.019 4.445 1.00 0.01 C ATOM 800 C LEU A 47 0.728 -8.716 4.448 1.00 14.20 C ATOM 801 O LEU A 47 0.317 -9.256 3.418 1.00 72.12 O ATOM 802 CB LEU A 47 1.978 -6.674 3.708 1.00 5.01 C ATOM 803 CG LEU A 47 3.102 -5.652 3.942 1.00 0.22 C ATOM 804 CD1 LEU A 47 4.494 -6.230 3.736 1.00 32.20 C ATOM 805 CD2 LEU A 47 2.926 -4.465 2.994 1.00 0.51 C ATOM 0 H LEU A 47 2.896 -8.827 2.713 1.00 55.02 H new ATOM 0 HA LEU A 47 2.451 -7.803 5.448 1.00 0.01 H new ATOM 0 HB2 LEU A 47 1.925 -6.878 2.639 1.00 5.01 H new ATOM 0 HB3 LEU A 47 1.034 -6.208 3.990 1.00 5.01 H new ATOM 0 HG LEU A 47 3.023 -5.343 4.984 1.00 0.22 H new ATOM 0 HD11 LEU A 47 5.240 -5.456 3.917 1.00 32.20 H new ATOM 0 HD12 LEU A 47 4.652 -7.055 4.430 1.00 32.20 H new ATOM 0 HD13 LEU A 47 4.589 -6.593 2.713 1.00 32.20 H new ATOM 0 HD21 LEU A 47 3.725 -3.743 3.163 1.00 0.51 H new ATOM 0 HD22 LEU A 47 2.965 -4.814 1.962 1.00 0.51 H new ATOM 0 HD23 LEU A 47 1.962 -3.991 3.180 1.00 0.51 H new ATOM 817 N ASP A 48 0.008 -8.637 5.565 1.00 72.11 N ATOM 818 CA ASP A 48 -1.305 -9.263 5.747 1.00 72.43 C ATOM 819 C ASP A 48 -2.304 -8.839 4.669 1.00 35.11 C ATOM 820 O ASP A 48 -3.156 -9.623 4.249 1.00 33.21 O ATOM 821 CB ASP A 48 -1.966 -8.900 7.095 1.00 21.21 C ATOM 822 CG ASP A 48 -1.101 -8.565 8.302 1.00 42.21 C ATOM 823 OD1 ASP A 48 0.088 -8.941 8.395 1.00 64.23 O ATOM 824 OD2 ASP A 48 -1.617 -7.882 9.211 1.00 33.24 O ATOM 0 H ASP A 48 0.326 -8.125 6.388 1.00 72.11 H new ATOM 0 HA ASP A 48 -1.094 -10.331 5.697 1.00 72.43 H new ATOM 0 HB2 ASP A 48 -2.618 -8.045 6.916 1.00 21.21 H new ATOM 0 HB3 ASP A 48 -2.606 -9.736 7.377 1.00 21.21 H new ATOM 829 N LYS A 49 -2.205 -7.586 4.220 1.00 41.03 N ATOM 830 CA LYS A 49 -3.074 -6.984 3.221 1.00 5.20 C ATOM 831 C LYS A 49 -2.216 -6.239 2.211 1.00 5.00 C ATOM 832 O LYS A 49 -1.027 -5.995 2.439 1.00 62.53 O ATOM 833 CB LYS A 49 -4.078 -6.048 3.915 1.00 34.10 C ATOM 834 CG LYS A 49 -4.996 -6.762 4.929 1.00 74.22 C ATOM 835 CD LYS A 49 -5.945 -5.837 5.706 1.00 4.43 C ATOM 836 CE LYS A 49 -6.717 -4.836 4.834 1.00 43.34 C ATOM 837 NZ LYS A 49 -7.712 -5.492 3.964 1.00 64.33 N ATOM 0 H LYS A 49 -1.489 -6.943 4.558 1.00 41.03 H new ATOM 0 HA LYS A 49 -3.643 -7.749 2.692 1.00 5.20 H new ATOM 0 HB2 LYS A 49 -3.529 -5.259 4.429 1.00 34.10 H new ATOM 0 HB3 LYS A 49 -4.695 -5.566 3.157 1.00 34.10 H new ATOM 0 HG2 LYS A 49 -5.591 -7.505 4.398 1.00 74.22 H new ATOM 0 HG3 LYS A 49 -4.374 -7.302 5.643 1.00 74.22 H new ATOM 0 HD2 LYS A 49 -6.661 -6.450 6.254 1.00 4.43 H new ATOM 0 HD3 LYS A 49 -5.367 -5.284 6.446 1.00 4.43 H new ATOM 0 HE2 LYS A 49 -7.221 -4.114 5.476 1.00 43.34 H new ATOM 0 HE3 LYS A 49 -6.012 -4.278 4.218 1.00 43.34 H new ATOM 0 HZ1 LYS A 49 -8.205 -4.773 3.397 1.00 64.33 H new ATOM 0 HZ2 LYS A 49 -7.231 -6.163 3.331 1.00 64.33 H new ATOM 0 HZ3 LYS A 49 -8.402 -6.003 4.550 1.00 64.33 H new ATOM 851 N THR A 50 -2.830 -5.815 1.111 1.00 62.41 N ATOM 852 CA THR A 50 -2.135 -5.108 0.039 1.00 11.30 C ATOM 853 C THR A 50 -2.610 -3.660 -0.116 1.00 72.23 C ATOM 854 O THR A 50 -1.820 -2.825 -0.543 1.00 14.54 O ATOM 855 CB THR A 50 -2.288 -5.912 -1.270 1.00 5.20 C ATOM 856 OG1 THR A 50 -2.530 -7.295 -1.031 1.00 12.30 O ATOM 857 CG2 THR A 50 -1.062 -5.799 -2.177 1.00 0.40 C ATOM 0 H THR A 50 -3.826 -5.952 0.937 1.00 62.41 H new ATOM 0 HA THR A 50 -1.078 -5.037 0.296 1.00 11.30 H new ATOM 0 HB THR A 50 -3.150 -5.468 -1.768 1.00 5.20 H new ATOM 0 HG1 THR A 50 -2.622 -7.764 -1.887 1.00 12.30 H new ATOM 0 HG21 THR A 50 -1.224 -6.384 -3.083 1.00 0.40 H new ATOM 0 HG22 THR A 50 -0.902 -4.754 -2.443 1.00 0.40 H new ATOM 0 HG23 THR A 50 -0.185 -6.178 -1.652 1.00 0.40 H new ATOM 865 N LYS A 51 -3.873 -3.356 0.203 1.00 14.05 N ATOM 866 CA LYS A 51 -4.451 -2.017 0.097 1.00 41.23 C ATOM 867 C LYS A 51 -4.117 -1.186 1.340 1.00 54.12 C ATOM 868 O LYS A 51 -4.415 -1.636 2.445 1.00 65.23 O ATOM 869 CB LYS A 51 -5.985 -2.142 0.020 1.00 4.52 C ATOM 870 CG LYS A 51 -6.573 -2.781 -1.247 1.00 0.34 C ATOM 871 CD LYS A 51 -8.100 -2.981 -1.135 1.00 0.02 C ATOM 872 CE LYS A 51 -8.863 -1.662 -0.915 1.00 3.34 C ATOM 873 NZ LYS A 51 -10.321 -1.761 -1.136 1.00 42.23 N ATOM 0 H LYS A 51 -4.534 -4.051 0.549 1.00 14.05 H new ATOM 0 HA LYS A 51 -4.044 -1.533 -0.791 1.00 41.23 H new ATOM 0 HB2 LYS A 51 -6.320 -2.723 0.879 1.00 4.52 H new ATOM 0 HB3 LYS A 51 -6.411 -1.144 0.125 1.00 4.52 H new ATOM 0 HG2 LYS A 51 -6.352 -2.150 -2.108 1.00 0.34 H new ATOM 0 HG3 LYS A 51 -6.093 -3.743 -1.425 1.00 0.34 H new ATOM 0 HD2 LYS A 51 -8.466 -3.459 -2.043 1.00 0.02 H new ATOM 0 HD3 LYS A 51 -8.313 -3.660 -0.309 1.00 0.02 H new ATOM 0 HE2 LYS A 51 -8.684 -1.317 0.103 1.00 3.34 H new ATOM 0 HE3 LYS A 51 -8.456 -0.904 -1.584 1.00 3.34 H new ATOM 0 HZ1 LYS A 51 -10.747 -0.815 -1.068 1.00 42.23 H new ATOM 0 HZ2 LYS A 51 -10.503 -2.156 -2.081 1.00 42.23 H new ATOM 0 HZ3 LYS A 51 -10.740 -2.382 -0.415 1.00 42.23 H new ATOM 887 N PHE A 52 -3.560 0.016 1.190 1.00 60.31 N ATOM 888 CA PHE A 52 -3.224 0.913 2.292 1.00 44.21 C ATOM 889 C PHE A 52 -3.812 2.300 1.999 1.00 11.02 C ATOM 890 O PHE A 52 -4.034 2.655 0.841 1.00 42.43 O ATOM 891 CB PHE A 52 -1.705 0.983 2.568 1.00 74.41 C ATOM 892 CG PHE A 52 -1.088 -0.214 3.275 1.00 51.15 C ATOM 893 CD1 PHE A 52 -0.981 -1.455 2.619 1.00 2.30 C ATOM 894 CD2 PHE A 52 -0.586 -0.081 4.585 1.00 45.02 C ATOM 895 CE1 PHE A 52 -0.439 -2.567 3.286 1.00 4.40 C ATOM 896 CE2 PHE A 52 -0.019 -1.188 5.245 1.00 40.42 C ATOM 897 CZ PHE A 52 0.036 -2.438 4.603 1.00 31.13 C ATOM 0 H PHE A 52 -3.325 0.401 0.275 1.00 60.31 H new ATOM 0 HA PHE A 52 -3.664 0.514 3.206 1.00 44.21 H new ATOM 0 HB2 PHE A 52 -1.191 1.119 1.616 1.00 74.41 H new ATOM 0 HB3 PHE A 52 -1.508 1.872 3.167 1.00 74.41 H new ATOM 0 HD1 PHE A 52 -1.317 -1.553 1.597 1.00 2.30 H new ATOM 0 HD2 PHE A 52 -0.636 0.875 5.085 1.00 45.02 H new ATOM 0 HE1 PHE A 52 -0.387 -3.523 2.786 1.00 4.40 H new ATOM 0 HE2 PHE A 52 0.374 -1.077 6.245 1.00 40.42 H new ATOM 0 HZ PHE A 52 0.441 -3.295 5.120 1.00 31.13 H new ATOM 907 N LEU A 53 -4.084 3.087 3.047 1.00 73.44 N ATOM 908 CA LEU A 53 -4.638 4.445 2.963 1.00 25.21 C ATOM 909 C LEU A 53 -3.688 5.342 3.711 1.00 4.42 C ATOM 910 O LEU A 53 -3.695 5.375 4.947 1.00 23.41 O ATOM 911 CB LEU A 53 -6.039 4.576 3.578 1.00 11.44 C ATOM 912 CG LEU A 53 -7.140 4.071 2.652 1.00 41.41 C ATOM 913 CD1 LEU A 53 -8.421 3.828 3.455 1.00 51.41 C ATOM 914 CD2 LEU A 53 -7.416 5.000 1.470 1.00 1.33 C ATOM 0 H LEU A 53 -3.919 2.787 4.008 1.00 73.44 H new ATOM 0 HA LEU A 53 -4.744 4.713 1.912 1.00 25.21 H new ATOM 0 HB2 LEU A 53 -6.074 4.018 4.514 1.00 11.44 H new ATOM 0 HB3 LEU A 53 -6.227 5.621 3.823 1.00 11.44 H new ATOM 0 HG LEU A 53 -6.786 3.134 2.222 1.00 41.41 H new ATOM 0 HD11 LEU A 53 -9.205 3.467 2.789 1.00 51.41 H new ATOM 0 HD12 LEU A 53 -8.230 3.083 4.228 1.00 51.41 H new ATOM 0 HD13 LEU A 53 -8.741 4.760 3.921 1.00 51.41 H new ATOM 0 HD21 LEU A 53 -8.210 4.579 0.854 1.00 1.33 H new ATOM 0 HD22 LEU A 53 -7.724 5.978 1.840 1.00 1.33 H new ATOM 0 HD23 LEU A 53 -6.511 5.107 0.872 1.00 1.33 H new ATOM 926 N VAL A 54 -2.873 6.061 2.960 1.00 24.22 N ATOM 927 CA VAL A 54 -1.881 6.953 3.530 1.00 73.44 C ATOM 928 C VAL A 54 -2.403 8.383 3.431 1.00 44.44 C ATOM 929 O VAL A 54 -2.924 8.747 2.378 1.00 73.32 O ATOM 930 CB VAL A 54 -0.546 6.705 2.812 1.00 60.51 C ATOM 931 CG1 VAL A 54 -0.196 5.203 2.784 1.00 65.11 C ATOM 932 CG2 VAL A 54 -0.555 7.169 1.365 1.00 52.23 C ATOM 0 H VAL A 54 -2.880 6.043 1.940 1.00 24.22 H new ATOM 0 HA VAL A 54 -1.701 6.769 4.589 1.00 73.44 H new ATOM 0 HB VAL A 54 0.187 7.278 3.380 1.00 60.51 H new ATOM 0 HG11 VAL A 54 0.754 5.060 2.269 1.00 65.11 H new ATOM 0 HG12 VAL A 54 -0.115 4.829 3.805 1.00 65.11 H new ATOM 0 HG13 VAL A 54 -0.979 4.657 2.258 1.00 65.11 H new ATOM 0 HG21 VAL A 54 0.416 6.967 0.912 1.00 52.23 H new ATOM 0 HG22 VAL A 54 -1.330 6.634 0.816 1.00 52.23 H new ATOM 0 HG23 VAL A 54 -0.757 8.239 1.327 1.00 52.23 H new ATOM 942 N PRO A 55 -2.387 9.185 4.502 1.00 51.41 N ATOM 943 CA PRO A 55 -2.863 10.545 4.405 1.00 44.33 C ATOM 944 C PRO A 55 -1.814 11.378 3.682 1.00 52.45 C ATOM 945 O PRO A 55 -0.611 11.170 3.843 1.00 24.23 O ATOM 946 CB PRO A 55 -3.072 11.006 5.835 1.00 12.35 C ATOM 947 CG PRO A 55 -2.025 10.223 6.618 1.00 45.53 C ATOM 948 CD PRO A 55 -1.844 8.931 5.822 1.00 31.11 C ATOM 0 HA PRO A 55 -3.791 10.640 3.841 1.00 44.33 H new ATOM 0 HB2 PRO A 55 -2.927 12.082 5.935 1.00 12.35 H new ATOM 0 HB3 PRO A 55 -4.081 10.787 6.184 1.00 12.35 H new ATOM 0 HG2 PRO A 55 -1.089 10.777 6.695 1.00 45.53 H new ATOM 0 HG3 PRO A 55 -2.359 10.020 7.635 1.00 45.53 H new ATOM 0 HD2 PRO A 55 -0.791 8.656 5.763 1.00 31.11 H new ATOM 0 HD3 PRO A 55 -2.364 8.102 6.303 1.00 31.11 H new ATOM 956 N ASP A 56 -2.271 12.371 2.932 1.00 54.22 N ATOM 957 CA ASP A 56 -1.374 13.252 2.184 1.00 62.12 C ATOM 958 C ASP A 56 -0.440 14.076 3.088 1.00 60.24 C ATOM 959 O ASP A 56 0.538 14.633 2.592 1.00 14.35 O ATOM 960 CB ASP A 56 -2.167 14.185 1.268 1.00 3.12 C ATOM 961 CG ASP A 56 -2.893 15.286 2.045 1.00 3.40 C ATOM 962 OD1 ASP A 56 -2.333 16.383 2.248 1.00 40.12 O ATOM 963 OD2 ASP A 56 -4.066 15.066 2.422 1.00 60.13 O ATOM 0 H ASP A 56 -3.261 12.590 2.823 1.00 54.22 H new ATOM 0 HA ASP A 56 -0.742 12.598 1.583 1.00 62.12 H new ATOM 0 HB2 ASP A 56 -1.491 14.640 0.544 1.00 3.12 H new ATOM 0 HB3 ASP A 56 -2.895 13.603 0.703 1.00 3.12 H new ATOM 968 N HIS A 57 -0.685 14.156 4.402 1.00 74.43 N ATOM 969 CA HIS A 57 0.172 14.912 5.317 1.00 4.42 C ATOM 970 C HIS A 57 1.442 14.135 5.713 1.00 15.40 C ATOM 971 O HIS A 57 2.363 14.721 6.281 1.00 13.04 O ATOM 972 CB HIS A 57 -0.623 15.345 6.566 1.00 11.02 C ATOM 973 CG HIS A 57 -0.746 14.325 7.679 1.00 53.11 C ATOM 974 ND1 HIS A 57 0.187 14.091 8.666 1.00 54.31 N ATOM 975 CD2 HIS A 57 -1.841 13.556 7.970 1.00 13.22 C ATOM 976 CE1 HIS A 57 -0.328 13.183 9.511 1.00 40.35 C ATOM 977 NE2 HIS A 57 -1.552 12.786 9.106 1.00 44.11 N ATOM 0 H HIS A 57 -1.477 13.701 4.856 1.00 74.43 H new ATOM 0 HA HIS A 57 0.505 15.803 4.785 1.00 4.42 H new ATOM 0 HB2 HIS A 57 -0.154 16.240 6.975 1.00 11.02 H new ATOM 0 HB3 HIS A 57 -1.627 15.627 6.250 1.00 11.02 H new ATOM 0 HD2 HIS A 57 -2.769 13.544 7.418 1.00 13.22 H new ATOM 0 HE1 HIS A 57 0.171 12.819 10.397 1.00 40.35 H new ATOM 0 HE2 HIS A 57 -2.143 12.075 9.536 1.00 44.11 H new ATOM 985 N VAL A 58 1.522 12.838 5.407 1.00 63.43 N ATOM 986 CA VAL A 58 2.645 11.968 5.751 1.00 3.04 C ATOM 987 C VAL A 58 3.685 11.857 4.630 1.00 12.31 C ATOM 988 O VAL A 58 3.332 11.834 3.449 1.00 55.05 O ATOM 989 CB VAL A 58 2.022 10.604 6.145 1.00 33.31 C ATOM 990 CG1 VAL A 58 2.924 9.376 5.990 1.00 61.33 C ATOM 991 CG2 VAL A 58 1.499 10.694 7.586 1.00 14.53 C ATOM 0 H VAL A 58 0.784 12.351 4.898 1.00 63.43 H new ATOM 0 HA VAL A 58 3.217 12.383 6.580 1.00 3.04 H new ATOM 0 HB VAL A 58 1.220 10.436 5.426 1.00 33.31 H new ATOM 0 HG11 VAL A 58 2.379 8.483 6.296 1.00 61.33 H new ATOM 0 HG12 VAL A 58 3.227 9.277 4.948 1.00 61.33 H new ATOM 0 HG13 VAL A 58 3.809 9.493 6.616 1.00 61.33 H new ATOM 0 HG21 VAL A 58 1.058 9.739 7.873 1.00 14.53 H new ATOM 0 HG22 VAL A 58 2.324 10.930 8.258 1.00 14.53 H new ATOM 0 HG23 VAL A 58 0.743 11.477 7.650 1.00 14.53 H new ATOM 1001 N ASN A 59 4.967 11.744 5.001 1.00 4.42 N ATOM 1002 CA ASN A 59 6.118 11.589 4.091 1.00 51.42 C ATOM 1003 C ASN A 59 6.654 10.160 4.136 1.00 71.22 C ATOM 1004 O ASN A 59 6.504 9.444 5.129 1.00 31.23 O ATOM 1005 CB ASN A 59 7.311 12.533 4.373 1.00 0.11 C ATOM 1006 CG ASN A 59 7.685 12.731 5.833 1.00 14.04 C ATOM 1007 OD1 ASN A 59 7.424 11.775 6.710 1.00 44.13 O flip ATOM 1008 ND2 ASN A 59 8.335 13.708 6.177 1.00 51.55 N flip ATOM 0 H ASN A 59 5.246 11.758 5.982 1.00 4.42 H new ATOM 0 HA ASN A 59 5.714 11.850 3.113 1.00 51.42 H new ATOM 0 HB2 ASN A 59 8.184 12.148 3.846 1.00 0.11 H new ATOM 0 HB3 ASN A 59 7.084 13.509 3.943 1.00 0.11 H new ATOM 0 HD21 ASN A 59 8.539 14.447 5.505 1.00 51.55 H new ATOM 0 HD22 ASN A 59 8.673 13.783 7.136 1.00 51.55 H new ATOM 1015 N MET A 60 7.397 9.801 3.089 1.00 24.43 N ATOM 1016 CA MET A 60 8.030 8.508 2.884 1.00 40.12 C ATOM 1017 C MET A 60 8.812 8.022 4.117 1.00 12.02 C ATOM 1018 O MET A 60 8.682 6.851 4.471 1.00 4.23 O ATOM 1019 CB MET A 60 8.924 8.599 1.636 1.00 1.03 C ATOM 1020 CG MET A 60 8.152 8.529 0.313 1.00 14.30 C ATOM 1021 SD MET A 60 7.655 6.864 -0.212 1.00 14.24 S ATOM 1022 CE MET A 60 9.271 6.178 -0.652 1.00 60.34 C ATOM 0 H MET A 60 7.581 10.445 2.320 1.00 24.43 H new ATOM 0 HA MET A 60 7.254 7.758 2.729 1.00 40.12 H new ATOM 0 HB2 MET A 60 9.484 9.533 1.670 1.00 1.03 H new ATOM 0 HB3 MET A 60 9.653 7.789 1.663 1.00 1.03 H new ATOM 0 HG2 MET A 60 7.258 9.146 0.401 1.00 14.30 H new ATOM 0 HG3 MET A 60 8.768 8.970 -0.471 1.00 14.30 H new ATOM 0 HE1 MET A 60 9.167 5.535 -1.526 1.00 60.34 H new ATOM 0 HE2 MET A 60 9.961 6.990 -0.879 1.00 60.34 H new ATOM 0 HE3 MET A 60 9.659 5.595 0.184 1.00 60.34 H new ATOM 1032 N SER A 61 9.534 8.887 4.845 1.00 14.42 N ATOM 1033 CA SER A 61 10.311 8.488 6.019 1.00 32.22 C ATOM 1034 C SER A 61 9.450 7.765 7.056 1.00 34.33 C ATOM 1035 O SER A 61 9.774 6.644 7.468 1.00 34.31 O ATOM 1036 CB SER A 61 10.967 9.701 6.686 1.00 23.44 C ATOM 1037 OG SER A 61 11.889 10.368 5.852 1.00 0.01 O ATOM 0 H SER A 61 9.593 9.883 4.633 1.00 14.42 H new ATOM 0 HA SER A 61 11.080 7.804 5.660 1.00 32.22 H new ATOM 0 HB2 SER A 61 10.191 10.403 6.991 1.00 23.44 H new ATOM 0 HB3 SER A 61 11.477 9.376 7.593 1.00 23.44 H new ATOM 0 HG SER A 61 11.840 9.996 4.947 1.00 0.01 H new ATOM 1043 N GLU A 62 8.371 8.408 7.511 1.00 11.40 N ATOM 1044 CA GLU A 62 7.505 7.798 8.506 1.00 15.10 C ATOM 1045 C GLU A 62 6.725 6.630 7.904 1.00 14.01 C ATOM 1046 O GLU A 62 6.510 5.659 8.622 1.00 22.51 O ATOM 1047 CB GLU A 62 6.660 8.813 9.268 1.00 5.41 C ATOM 1048 CG GLU A 62 5.458 9.259 8.459 1.00 51.44 C ATOM 1049 CD GLU A 62 4.860 10.529 9.028 1.00 20.22 C ATOM 1050 OE1 GLU A 62 4.461 10.507 10.215 1.00 40.43 O ATOM 1051 OE2 GLU A 62 4.839 11.526 8.275 1.00 23.22 O ATOM 0 H GLU A 62 8.084 9.338 7.207 1.00 11.40 H new ATOM 0 HA GLU A 62 8.135 7.367 9.284 1.00 15.10 H new ATOM 0 HB2 GLU A 62 6.324 8.375 10.208 1.00 5.41 H new ATOM 0 HB3 GLU A 62 7.271 9.680 9.520 1.00 5.41 H new ATOM 0 HG2 GLU A 62 5.754 9.425 7.423 1.00 51.44 H new ATOM 0 HG3 GLU A 62 4.706 8.470 8.453 1.00 51.44 H new ATOM 1058 N LEU A 63 6.291 6.697 6.634 1.00 23.50 N ATOM 1059 CA LEU A 63 5.568 5.595 5.983 1.00 40.04 C ATOM 1060 C LEU A 63 6.425 4.341 6.111 1.00 54.32 C ATOM 1061 O LEU A 63 5.972 3.321 6.637 1.00 63.13 O ATOM 1062 CB LEU A 63 5.261 5.936 4.511 1.00 73.42 C ATOM 1063 CG LEU A 63 4.766 4.790 3.587 1.00 44.15 C ATOM 1064 CD1 LEU A 63 5.899 4.158 2.768 1.00 40.32 C ATOM 1065 CD2 LEU A 63 3.953 3.662 4.235 1.00 41.12 C ATOM 0 H LEU A 63 6.431 7.511 6.035 1.00 23.50 H new ATOM 0 HA LEU A 63 4.605 5.428 6.465 1.00 40.04 H new ATOM 0 HB2 LEU A 63 4.507 6.723 4.500 1.00 73.42 H new ATOM 0 HB3 LEU A 63 6.165 6.355 4.069 1.00 73.42 H new ATOM 0 HG LEU A 63 4.069 5.331 2.948 1.00 44.15 H new ATOM 0 HD11 LEU A 63 5.495 3.363 2.141 1.00 40.32 H new ATOM 0 HD12 LEU A 63 6.361 4.918 2.138 1.00 40.32 H new ATOM 0 HD13 LEU A 63 6.648 3.743 3.443 1.00 40.32 H new ATOM 0 HD21 LEU A 63 3.674 2.932 3.475 1.00 41.12 H new ATOM 0 HD22 LEU A 63 4.554 3.175 5.003 1.00 41.12 H new ATOM 0 HD23 LEU A 63 3.053 4.077 4.688 1.00 41.12 H new ATOM 1077 N ILE A 64 7.685 4.448 5.682 1.00 33.21 N ATOM 1078 CA ILE A 64 8.672 3.387 5.732 1.00 61.13 C ATOM 1079 C ILE A 64 8.674 2.862 7.173 1.00 44.04 C ATOM 1080 O ILE A 64 8.431 1.673 7.373 1.00 13.25 O ATOM 1081 CB ILE A 64 10.023 3.936 5.201 1.00 24.14 C ATOM 1082 CG1 ILE A 64 9.971 4.078 3.659 1.00 4.24 C ATOM 1083 CG2 ILE A 64 11.223 3.058 5.582 1.00 34.41 C ATOM 1084 CD1 ILE A 64 11.116 4.919 3.075 1.00 1.15 C ATOM 0 H ILE A 64 8.051 5.310 5.277 1.00 33.21 H new ATOM 0 HA ILE A 64 8.453 2.536 5.087 1.00 61.13 H new ATOM 0 HB ILE A 64 10.166 4.908 5.673 1.00 24.14 H new ATOM 0 HG12 ILE A 64 9.997 3.085 3.211 1.00 4.24 H new ATOM 0 HG13 ILE A 64 9.020 4.530 3.377 1.00 4.24 H new ATOM 0 HG21 ILE A 64 12.137 3.497 5.181 1.00 34.41 H new ATOM 0 HG22 ILE A 64 11.297 2.994 6.668 1.00 34.41 H new ATOM 0 HG23 ILE A 64 11.088 2.059 5.168 1.00 34.41 H new ATOM 0 HD11 ILE A 64 11.012 4.973 1.991 1.00 1.15 H new ATOM 0 HD12 ILE A 64 11.079 5.925 3.494 1.00 1.15 H new ATOM 0 HD13 ILE A 64 12.071 4.457 3.325 1.00 1.15 H new ATOM 1096 N LYS A 65 8.887 3.723 8.178 1.00 1.23 N ATOM 1097 CA LYS A 65 8.905 3.357 9.600 1.00 44.23 C ATOM 1098 C LYS A 65 7.642 2.592 10.023 1.00 0.31 C ATOM 1099 O LYS A 65 7.772 1.534 10.642 1.00 71.12 O ATOM 1100 CB LYS A 65 9.092 4.642 10.434 1.00 41.42 C ATOM 1101 CG LYS A 65 8.925 4.459 11.955 1.00 2.02 C ATOM 1102 CD LYS A 65 8.405 5.727 12.652 1.00 40.13 C ATOM 1103 CE LYS A 65 6.935 6.026 12.302 1.00 44.04 C ATOM 1104 NZ LYS A 65 6.368 7.090 13.151 1.00 2.31 N ATOM 0 H LYS A 65 9.055 4.717 8.020 1.00 1.23 H new ATOM 0 HA LYS A 65 9.737 2.676 9.778 1.00 44.23 H new ATOM 0 HB2 LYS A 65 10.086 5.043 10.238 1.00 41.42 H new ATOM 0 HB3 LYS A 65 8.374 5.388 10.092 1.00 41.42 H new ATOM 0 HG2 LYS A 65 8.235 3.637 12.144 1.00 2.02 H new ATOM 0 HG3 LYS A 65 9.884 4.177 12.390 1.00 2.02 H new ATOM 0 HD2 LYS A 65 8.503 5.612 13.731 1.00 40.13 H new ATOM 0 HD3 LYS A 65 9.024 6.577 12.365 1.00 40.13 H new ATOM 0 HE2 LYS A 65 6.865 6.322 11.255 1.00 44.04 H new ATOM 0 HE3 LYS A 65 6.344 5.118 12.417 1.00 44.04 H new ATOM 0 HZ1 LYS A 65 5.378 7.259 12.881 1.00 2.31 H new ATOM 0 HZ2 LYS A 65 6.410 6.798 14.148 1.00 2.31 H new ATOM 0 HZ3 LYS A 65 6.915 7.965 13.023 1.00 2.31 H new ATOM 1118 N ILE A 66 6.444 3.105 9.736 1.00 21.31 N ATOM 1119 CA ILE A 66 5.142 2.517 10.076 1.00 23.54 C ATOM 1120 C ILE A 66 5.098 1.076 9.547 1.00 72.12 C ATOM 1121 O ILE A 66 4.675 0.152 10.256 1.00 62.23 O ATOM 1122 CB ILE A 66 4.031 3.460 9.539 1.00 53.14 C ATOM 1123 CG1 ILE A 66 3.975 4.743 10.407 1.00 53.13 C ATOM 1124 CG2 ILE A 66 2.626 2.836 9.497 1.00 33.33 C ATOM 1125 CD1 ILE A 66 3.299 5.925 9.709 1.00 51.34 C ATOM 0 H ILE A 66 6.348 3.988 9.234 1.00 21.31 H new ATOM 0 HA ILE A 66 4.976 2.436 11.150 1.00 23.54 H new ATOM 0 HB ILE A 66 4.306 3.678 8.507 1.00 53.14 H new ATOM 0 HG12 ILE A 66 3.441 4.523 11.331 1.00 53.13 H new ATOM 0 HG13 ILE A 66 4.990 5.028 10.685 1.00 53.13 H new ATOM 0 HG21 ILE A 66 1.915 3.566 9.109 1.00 33.33 H new ATOM 0 HG22 ILE A 66 2.636 1.960 8.849 1.00 33.33 H new ATOM 0 HG23 ILE A 66 2.329 2.540 10.503 1.00 33.33 H new ATOM 0 HD11 ILE A 66 3.296 6.788 10.375 1.00 51.34 H new ATOM 0 HD12 ILE A 66 3.846 6.171 8.799 1.00 51.34 H new ATOM 0 HD13 ILE A 66 2.273 5.659 9.455 1.00 51.34 H new ATOM 1137 N ILE A 67 5.567 0.880 8.313 1.00 5.22 N ATOM 1138 CA ILE A 67 5.630 -0.422 7.672 1.00 4.41 C ATOM 1139 C ILE A 67 6.648 -1.270 8.444 1.00 73.13 C ATOM 1140 O ILE A 67 6.295 -2.378 8.845 1.00 44.25 O ATOM 1141 CB ILE A 67 5.902 -0.236 6.153 1.00 62.32 C ATOM 1142 CG1 ILE A 67 4.596 -0.203 5.322 1.00 43.54 C ATOM 1143 CG2 ILE A 67 6.807 -1.319 5.536 1.00 20.54 C ATOM 1144 CD1 ILE A 67 3.409 0.568 5.924 1.00 24.23 C ATOM 0 H ILE A 67 5.918 1.638 7.727 1.00 5.22 H new ATOM 0 HA ILE A 67 4.689 -0.970 7.711 1.00 4.41 H new ATOM 0 HB ILE A 67 6.418 0.723 6.105 1.00 62.32 H new ATOM 0 HG12 ILE A 67 4.824 0.231 4.348 1.00 43.54 H new ATOM 0 HG13 ILE A 67 4.279 -1.231 5.147 1.00 43.54 H new ATOM 0 HG21 ILE A 67 6.946 -1.115 4.474 1.00 20.54 H new ATOM 0 HG22 ILE A 67 7.775 -1.313 6.037 1.00 20.54 H new ATOM 0 HG23 ILE A 67 6.341 -2.296 5.660 1.00 20.54 H new ATOM 0 HD11 ILE A 67 2.558 0.514 5.245 1.00 24.23 H new ATOM 0 HD12 ILE A 67 3.137 0.126 6.882 1.00 24.23 H new ATOM 0 HD13 ILE A 67 3.690 1.611 6.072 1.00 24.23 H new ATOM 1156 N ARG A 68 7.868 -0.778 8.734 1.00 0.31 N ATOM 1157 CA ARG A 68 8.863 -1.582 9.466 1.00 44.33 C ATOM 1158 C ARG A 68 8.323 -2.011 10.828 1.00 24.30 C ATOM 1159 O ARG A 68 8.657 -3.099 11.288 1.00 2.21 O ATOM 1160 CB ARG A 68 10.230 -0.877 9.662 1.00 45.11 C ATOM 1161 CG ARG A 68 10.766 -0.103 8.449 1.00 74.41 C ATOM 1162 CD ARG A 68 12.261 0.225 8.470 1.00 24.42 C ATOM 1163 NE ARG A 68 13.162 -0.905 8.166 1.00 21.40 N ATOM 1164 CZ ARG A 68 14.499 -0.790 8.290 1.00 0.04 C ATOM 1165 NH1 ARG A 68 15.054 0.391 8.559 1.00 63.23 N ATOM 1166 NH2 ARG A 68 15.292 -1.843 8.129 1.00 21.31 N ATOM 0 H ARG A 68 8.184 0.157 8.477 1.00 0.31 H new ATOM 0 HA ARG A 68 9.041 -2.452 8.834 1.00 44.33 H new ATOM 0 HB2 ARG A 68 10.143 -0.186 10.500 1.00 45.11 H new ATOM 0 HB3 ARG A 68 10.967 -1.629 9.944 1.00 45.11 H new ATOM 0 HG2 ARG A 68 10.554 -0.683 7.551 1.00 74.41 H new ATOM 0 HG3 ARG A 68 10.210 0.831 8.364 1.00 74.41 H new ATOM 0 HD2 ARG A 68 12.451 1.022 7.751 1.00 24.42 H new ATOM 0 HD3 ARG A 68 12.516 0.616 9.455 1.00 24.42 H new ATOM 0 HE ARG A 68 12.764 -1.791 7.856 1.00 21.40 H new ATOM 0 HH11 ARG A 68 14.466 1.217 8.673 1.00 63.23 H new ATOM 0 HH12 ARG A 68 16.067 0.469 8.651 1.00 63.23 H new ATOM 0 HH21 ARG A 68 14.891 -2.754 7.908 1.00 21.31 H new ATOM 0 HH22 ARG A 68 16.302 -1.740 8.226 1.00 21.31 H new ATOM 1180 N ARG A 69 7.472 -1.176 11.442 1.00 1.23 N ATOM 1181 CA ARG A 69 6.875 -1.411 12.746 1.00 5.31 C ATOM 1182 C ARG A 69 5.899 -2.568 12.734 1.00 5.20 C ATOM 1183 O ARG A 69 6.156 -3.541 13.438 1.00 14.25 O ATOM 1184 CB ARG A 69 6.147 -0.135 13.203 1.00 45.54 C ATOM 1185 CG ARG A 69 5.781 -0.175 14.697 1.00 20.11 C ATOM 1186 CD ARG A 69 6.041 1.175 15.371 1.00 11.43 C ATOM 1187 NE ARG A 69 7.488 1.444 15.474 1.00 0.30 N ATOM 1188 CZ ARG A 69 8.076 2.643 15.527 1.00 2.20 C ATOM 1189 NH1 ARG A 69 7.364 3.766 15.487 1.00 4.31 N ATOM 1190 NH2 ARG A 69 9.397 2.735 15.624 1.00 4.13 N ATOM 0 H ARG A 69 7.177 -0.294 11.024 1.00 1.23 H new ATOM 0 HA ARG A 69 7.678 -1.668 13.437 1.00 5.31 H new ATOM 0 HB2 ARG A 69 6.780 0.731 13.009 1.00 45.54 H new ATOM 0 HB3 ARG A 69 5.240 -0.005 12.612 1.00 45.54 H new ATOM 0 HG2 ARG A 69 4.730 -0.443 14.809 1.00 20.11 H new ATOM 0 HG3 ARG A 69 6.363 -0.950 15.195 1.00 20.11 H new ATOM 0 HD2 ARG A 69 5.559 1.969 14.800 1.00 11.43 H new ATOM 0 HD3 ARG A 69 5.595 1.181 16.365 1.00 11.43 H new ATOM 0 HE ARG A 69 8.103 0.631 15.508 1.00 0.30 H new ATOM 0 HH11 ARG A 69 6.347 3.723 15.414 1.00 4.31 H new ATOM 0 HH12 ARG A 69 7.835 4.670 15.529 1.00 4.31 H new ATOM 0 HH21 ARG A 69 9.966 1.889 15.658 1.00 4.13 H new ATOM 0 HH22 ARG A 69 9.843 3.652 15.664 1.00 4.13 H new ATOM 1204 N ARG A 70 4.830 -2.524 11.933 1.00 0.23 N ATOM 1205 CA ARG A 70 3.883 -3.648 11.940 1.00 32.22 C ATOM 1206 C ARG A 70 4.511 -4.906 11.362 1.00 75.12 C ATOM 1207 O ARG A 70 4.258 -5.998 11.863 1.00 51.34 O ATOM 1208 CB ARG A 70 2.557 -3.320 11.238 1.00 74.12 C ATOM 1209 CG ARG A 70 2.684 -2.590 9.890 1.00 60.31 C ATOM 1210 CD ARG A 70 1.545 -2.998 8.944 1.00 11.40 C ATOM 1211 NE ARG A 70 1.756 -4.339 8.380 1.00 42.45 N ATOM 1212 CZ ARG A 70 1.002 -5.438 8.527 1.00 43.55 C ATOM 1213 NH1 ARG A 70 -0.226 -5.400 9.050 1.00 24.11 N ATOM 1214 NH2 ARG A 70 1.504 -6.597 8.118 1.00 54.44 N ATOM 0 H ARG A 70 4.602 -1.760 11.297 1.00 0.23 H new ATOM 0 HA ARG A 70 3.642 -3.835 12.986 1.00 32.22 H new ATOM 0 HB2 ARG A 70 2.011 -4.250 11.078 1.00 74.12 H new ATOM 0 HB3 ARG A 70 1.953 -2.707 11.908 1.00 74.12 H new ATOM 0 HG2 ARG A 70 2.662 -1.512 10.051 1.00 60.31 H new ATOM 0 HG3 ARG A 70 3.645 -2.824 9.433 1.00 60.31 H new ATOM 0 HD2 ARG A 70 0.599 -2.976 9.484 1.00 11.40 H new ATOM 0 HD3 ARG A 70 1.467 -2.272 8.135 1.00 11.40 H new ATOM 0 HE ARG A 70 2.587 -4.448 7.799 1.00 42.45 H new ATOM 0 HH11 ARG A 70 -0.623 -4.511 9.355 1.00 24.11 H new ATOM 0 HH12 ARG A 70 -0.767 -6.260 9.144 1.00 24.11 H new ATOM 0 HH21 ARG A 70 2.437 -6.632 7.707 1.00 54.44 H new ATOM 0 HH22 ARG A 70 0.957 -7.452 8.215 1.00 54.44 H new ATOM 1228 N LEU A 71 5.333 -4.763 10.324 1.00 71.23 N ATOM 1229 CA LEU A 71 6.009 -5.875 9.669 1.00 24.20 C ATOM 1230 C LEU A 71 7.035 -6.525 10.599 1.00 53.13 C ATOM 1231 O LEU A 71 7.225 -7.736 10.556 1.00 52.23 O ATOM 1232 CB LEU A 71 6.660 -5.314 8.394 1.00 32.53 C ATOM 1233 CG LEU A 71 7.133 -6.328 7.349 1.00 13.22 C ATOM 1234 CD1 LEU A 71 8.403 -7.050 7.794 1.00 45.53 C ATOM 1235 CD2 LEU A 71 6.012 -7.303 6.969 1.00 64.44 C ATOM 0 H LEU A 71 5.550 -3.856 9.910 1.00 71.23 H new ATOM 0 HA LEU A 71 5.302 -6.664 9.413 1.00 24.20 H new ATOM 0 HB2 LEU A 71 5.946 -4.644 7.916 1.00 32.53 H new ATOM 0 HB3 LEU A 71 7.517 -4.708 8.690 1.00 32.53 H new ATOM 0 HG LEU A 71 7.392 -5.774 6.447 1.00 13.22 H new ATOM 0 HD11 LEU A 71 8.706 -7.761 7.025 1.00 45.53 H new ATOM 0 HD12 LEU A 71 9.200 -6.322 7.950 1.00 45.53 H new ATOM 0 HD13 LEU A 71 8.211 -7.583 8.725 1.00 45.53 H new ATOM 0 HD21 LEU A 71 6.381 -8.009 6.225 1.00 64.44 H new ATOM 0 HD22 LEU A 71 5.686 -7.847 7.856 1.00 64.44 H new ATOM 0 HD23 LEU A 71 5.171 -6.747 6.555 1.00 64.44 H new ATOM 1247 N GLN A 72 7.628 -5.741 11.499 1.00 23.43 N ATOM 1248 CA GLN A 72 8.651 -6.160 12.445 1.00 2.21 C ATOM 1249 C GLN A 72 9.903 -6.596 11.673 1.00 0.31 C ATOM 1250 O GLN A 72 10.407 -7.705 11.841 1.00 51.31 O ATOM 1251 CB GLN A 72 8.145 -7.139 13.504 1.00 35.20 C ATOM 1252 CG GLN A 72 7.216 -6.388 14.459 1.00 32.11 C ATOM 1253 CD GLN A 72 6.572 -7.349 15.421 1.00 65.13 C ATOM 1254 OE1 GLN A 72 6.971 -7.462 16.576 1.00 34.31 O ATOM 1255 NE2 GLN A 72 5.583 -8.051 14.920 1.00 20.32 N ATOM 0 H GLN A 72 7.395 -4.752 11.589 1.00 23.43 H new ATOM 0 HA GLN A 72 8.942 -5.309 13.060 1.00 2.21 H new ATOM 0 HB2 GLN A 72 7.614 -7.966 13.032 1.00 35.20 H new ATOM 0 HB3 GLN A 72 8.983 -7.570 14.052 1.00 35.20 H new ATOM 0 HG2 GLN A 72 7.780 -5.635 15.009 1.00 32.11 H new ATOM 0 HG3 GLN A 72 6.449 -5.861 13.892 1.00 32.11 H new ATOM 0 HE21 GLN A 72 5.298 -7.911 13.951 1.00 20.32 H new ATOM 0 HE22 GLN A 72 5.100 -8.737 15.500 1.00 20.32 H new ATOM 1264 N LEU A 73 10.392 -5.702 10.797 1.00 34.44 N ATOM 1265 CA LEU A 73 11.590 -5.940 9.981 1.00 20.43 C ATOM 1266 C LEU A 73 12.812 -6.183 10.860 1.00 45.41 C ATOM 1267 O LEU A 73 12.812 -5.816 12.042 1.00 74.13 O ATOM 1268 CB LEU A 73 11.906 -4.730 9.078 1.00 73.15 C ATOM 1269 CG LEU A 73 11.285 -4.791 7.679 1.00 1.21 C ATOM 1270 CD1 LEU A 73 11.560 -3.511 6.916 1.00 54.22 C ATOM 1271 CD2 LEU A 73 11.719 -5.989 6.829 1.00 1.32 C ATOM 0 H LEU A 73 9.964 -4.790 10.636 1.00 34.44 H new ATOM 0 HA LEU A 73 11.377 -6.818 9.371 1.00 20.43 H new ATOM 0 HB2 LEU A 73 11.559 -3.824 9.575 1.00 73.15 H new ATOM 0 HB3 LEU A 73 12.988 -4.644 8.976 1.00 73.15 H new ATOM 0 HG LEU A 73 10.217 -4.917 7.857 1.00 1.21 H new ATOM 0 HD11 LEU A 73 11.111 -3.574 5.925 1.00 54.22 H new ATOM 0 HD12 LEU A 73 11.131 -2.667 7.455 1.00 54.22 H new ATOM 0 HD13 LEU A 73 12.636 -3.370 6.818 1.00 54.22 H new ATOM 0 HD21 LEU A 73 11.226 -5.943 5.858 1.00 1.32 H new ATOM 0 HD22 LEU A 73 12.800 -5.964 6.689 1.00 1.32 H new ATOM 0 HD23 LEU A 73 11.440 -6.914 7.334 1.00 1.32 H new ATOM 1283 N ASN A 74 13.873 -6.732 10.260 1.00 35.31 N ATOM 1284 CA ASN A 74 15.118 -7.013 10.967 1.00 43.23 C ATOM 1285 C ASN A 74 15.806 -5.698 11.341 1.00 11.25 C ATOM 1286 O ASN A 74 15.490 -4.629 10.806 1.00 13.45 O ATOM 1287 CB ASN A 74 16.070 -7.889 10.119 1.00 5.43 C ATOM 1288 CG ASN A 74 16.394 -9.243 10.744 1.00 34.22 C ATOM 1289 OD1 ASN A 74 16.317 -9.410 11.956 1.00 75.11 O ATOM 1290 ND2 ASN A 74 16.799 -10.204 9.930 1.00 15.20 N ATOM 0 H ASN A 74 13.889 -6.992 9.274 1.00 35.31 H new ATOM 0 HA ASN A 74 14.875 -7.570 11.872 1.00 43.23 H new ATOM 0 HB2 ASN A 74 15.621 -8.051 9.139 1.00 5.43 H new ATOM 0 HB3 ASN A 74 17.000 -7.344 9.957 1.00 5.43 H new ATOM 0 HD21 ASN A 74 17.058 -11.116 10.307 1.00 15.20 H new ATOM 0 HD22 ASN A 74 16.852 -10.033 8.926 1.00 15.20 H new ATOM 1297 N ALA A 75 16.791 -5.786 12.229 1.00 2.01 N ATOM 1298 CA ALA A 75 17.600 -4.675 12.721 1.00 13.20 C ATOM 1299 C ALA A 75 19.046 -4.805 12.225 1.00 23.33 C ATOM 1300 O ALA A 75 19.869 -3.923 12.478 1.00 42.01 O ATOM 1301 CB ALA A 75 17.542 -4.670 14.248 1.00 31.55 C ATOM 0 H ALA A 75 17.060 -6.677 12.646 1.00 2.01 H new ATOM 0 HA ALA A 75 17.208 -3.732 12.341 1.00 13.20 H new ATOM 0 HB1 ALA A 75 18.142 -3.845 14.632 1.00 31.55 H new ATOM 0 HB2 ALA A 75 16.508 -4.549 14.572 1.00 31.55 H new ATOM 0 HB3 ALA A 75 17.934 -5.613 14.630 1.00 31.55 H new ATOM 1307 N ASN A 76 19.342 -5.898 11.515 1.00 1.34 N ATOM 1308 CA ASN A 76 20.630 -6.254 10.932 1.00 22.32 C ATOM 1309 C ASN A 76 20.573 -6.245 9.408 1.00 42.41 C ATOM 1310 O ASN A 76 21.615 -6.390 8.773 1.00 22.13 O ATOM 1311 CB ASN A 76 21.055 -7.650 11.427 1.00 44.45 C ATOM 1312 CG ASN A 76 19.943 -8.684 11.292 1.00 2.42 C ATOM 1313 OD1 ASN A 76 19.671 -9.193 10.108 1.00 55.32 O flip ATOM 1314 ND2 ASN A 76 19.227 -8.947 12.253 1.00 43.13 N flip ATOM 0 H ASN A 76 18.633 -6.605 11.321 1.00 1.34 H new ATOM 0 HA ASN A 76 21.362 -5.510 11.247 1.00 22.32 H new ATOM 0 HB2 ASN A 76 21.926 -7.982 10.862 1.00 44.45 H new ATOM 0 HB3 ASN A 76 21.360 -7.584 12.471 1.00 44.45 H new ATOM 0 HD21 ASN A 76 19.438 -8.552 13.170 1.00 43.13 H new ATOM 0 HD22 ASN A 76 18.420 -9.560 12.135 1.00 43.13 H new ATOM 1321 N GLN A 77 19.377 -6.162 8.820 1.00 34.45 N ATOM 1322 CA GLN A 77 19.148 -6.131 7.386 1.00 22.33 C ATOM 1323 C GLN A 77 18.215 -4.966 7.097 1.00 5.44 C ATOM 1324 O GLN A 77 17.429 -4.586 7.973 1.00 72.34 O ATOM 1325 CB GLN A 77 18.629 -7.481 6.880 1.00 72.54 C ATOM 1326 CG GLN A 77 17.136 -7.491 6.540 1.00 12.40 C ATOM 1327 CD GLN A 77 16.747 -8.889 6.134 1.00 73.11 C ATOM 1328 OE1 GLN A 77 16.266 -9.665 6.958 1.00 32.13 O ATOM 1329 NE2 GLN A 77 16.953 -9.198 4.870 1.00 71.11 N ATOM 0 H GLN A 77 18.512 -6.113 9.358 1.00 34.45 H new ATOM 0 HA GLN A 77 20.078 -5.972 6.840 1.00 22.33 H new ATOM 0 HB2 GLN A 77 19.194 -7.766 5.993 1.00 72.54 H new ATOM 0 HB3 GLN A 77 18.823 -8.240 7.638 1.00 72.54 H new ATOM 0 HG2 GLN A 77 16.549 -7.170 7.401 1.00 12.40 H new ATOM 0 HG3 GLN A 77 16.927 -6.790 5.732 1.00 12.40 H new ATOM 0 HE21 GLN A 77 17.356 -8.508 4.236 1.00 71.11 H new ATOM 0 HE22 GLN A 77 16.709 -10.127 4.526 1.00 71.11 H new ATOM 1338 N ALA A 78 18.283 -4.409 5.896 1.00 60.25 N ATOM 1339 CA ALA A 78 17.452 -3.293 5.473 1.00 22.14 C ATOM 1340 C ALA A 78 16.474 -3.743 4.393 1.00 31.20 C ATOM 1341 O ALA A 78 16.448 -4.910 3.994 1.00 74.54 O ATOM 1342 CB ALA A 78 18.341 -2.160 4.979 1.00 41.24 C ATOM 0 H ALA A 78 18.930 -4.727 5.175 1.00 60.25 H new ATOM 0 HA ALA A 78 16.867 -2.930 6.318 1.00 22.14 H new ATOM 0 HB1 ALA A 78 17.720 -1.322 4.661 1.00 41.24 H new ATOM 0 HB2 ALA A 78 19.001 -1.838 5.784 1.00 41.24 H new ATOM 0 HB3 ALA A 78 18.939 -2.508 4.137 1.00 41.24 H new ATOM 1348 N PHE A 79 15.597 -2.840 3.973 1.00 15.53 N ATOM 1349 CA PHE A 79 14.623 -3.095 2.931 1.00 60.53 C ATOM 1350 C PHE A 79 14.417 -1.790 2.175 1.00 34.20 C ATOM 1351 O PHE A 79 14.607 -0.711 2.743 1.00 2.52 O ATOM 1352 CB PHE A 79 13.318 -3.650 3.522 1.00 55.02 C ATOM 1353 CG PHE A 79 12.221 -2.637 3.760 1.00 44.33 C ATOM 1354 CD1 PHE A 79 12.416 -1.572 4.655 1.00 4.23 C ATOM 1355 CD2 PHE A 79 10.997 -2.764 3.079 1.00 4.53 C ATOM 1356 CE1 PHE A 79 11.379 -0.659 4.889 1.00 64.53 C ATOM 1357 CE2 PHE A 79 9.968 -1.835 3.293 1.00 33.35 C ATOM 1358 CZ PHE A 79 10.160 -0.784 4.201 1.00 12.22 C ATOM 0 H PHE A 79 15.545 -1.896 4.356 1.00 15.53 H new ATOM 0 HA PHE A 79 14.979 -3.860 2.240 1.00 60.53 H new ATOM 0 HB2 PHE A 79 12.936 -4.420 2.852 1.00 55.02 H new ATOM 0 HB3 PHE A 79 13.549 -4.137 4.469 1.00 55.02 H new ATOM 0 HD1 PHE A 79 13.363 -1.457 5.162 1.00 4.23 H new ATOM 0 HD2 PHE A 79 10.849 -3.581 2.388 1.00 4.53 H new ATOM 0 HE1 PHE A 79 11.517 0.142 5.600 1.00 64.53 H new ATOM 0 HE2 PHE A 79 9.033 -1.929 2.761 1.00 33.35 H new ATOM 0 HZ PHE A 79 9.369 -0.069 4.372 1.00 12.22 H new ATOM 1368 N PHE A 80 13.985 -1.888 0.928 1.00 71.42 N ATOM 1369 CA PHE A 80 13.719 -0.764 0.055 1.00 32.52 C ATOM 1370 C PHE A 80 12.298 -0.902 -0.469 1.00 24.30 C ATOM 1371 O PHE A 80 11.732 -1.999 -0.499 1.00 75.35 O ATOM 1372 CB PHE A 80 14.749 -0.704 -1.069 1.00 0.52 C ATOM 1373 CG PHE A 80 16.168 -0.461 -0.586 1.00 32.13 C ATOM 1374 CD1 PHE A 80 17.007 -1.544 -0.265 1.00 74.11 C ATOM 1375 CD2 PHE A 80 16.659 0.854 -0.475 1.00 13.13 C ATOM 1376 CE1 PHE A 80 18.345 -1.315 0.098 1.00 34.42 C ATOM 1377 CE2 PHE A 80 17.992 1.083 -0.094 1.00 74.12 C ATOM 1378 CZ PHE A 80 18.843 -0.002 0.165 1.00 42.42 C ATOM 0 H PHE A 80 13.804 -2.788 0.483 1.00 71.42 H new ATOM 0 HA PHE A 80 13.805 0.177 0.599 1.00 32.52 H new ATOM 0 HB2 PHE A 80 14.720 -1.640 -1.626 1.00 0.52 H new ATOM 0 HB3 PHE A 80 14.470 0.089 -1.763 1.00 0.52 H new ATOM 0 HD1 PHE A 80 16.622 -2.553 -0.298 1.00 74.11 H new ATOM 0 HD2 PHE A 80 16.008 1.690 -0.684 1.00 13.13 H new ATOM 0 HE1 PHE A 80 18.992 -2.149 0.326 1.00 34.42 H new ATOM 0 HE2 PHE A 80 18.361 2.094 -0.001 1.00 74.12 H new ATOM 0 HZ PHE A 80 19.879 0.171 0.415 1.00 42.42 H new ATOM 1388 N LEU A 81 11.737 0.240 -0.847 1.00 0.52 N ATOM 1389 CA LEU A 81 10.401 0.433 -1.373 1.00 0.21 C ATOM 1390 C LEU A 81 10.576 1.098 -2.734 1.00 1.22 C ATOM 1391 O LEU A 81 11.089 2.215 -2.815 1.00 3.42 O ATOM 1392 CB LEU A 81 9.617 1.302 -0.376 1.00 33.15 C ATOM 1393 CG LEU A 81 8.152 1.568 -0.764 1.00 71.35 C ATOM 1394 CD1 LEU A 81 7.289 0.302 -0.668 1.00 40.34 C ATOM 1395 CD2 LEU A 81 7.588 2.610 0.207 1.00 31.20 C ATOM 0 H LEU A 81 12.248 1.121 -0.787 1.00 0.52 H new ATOM 0 HA LEU A 81 9.839 -0.492 -1.500 1.00 0.21 H new ATOM 0 HB2 LEU A 81 9.637 0.818 0.600 1.00 33.15 H new ATOM 0 HB3 LEU A 81 10.129 2.258 -0.268 1.00 33.15 H new ATOM 0 HG LEU A 81 8.128 1.914 -1.797 1.00 71.35 H new ATOM 0 HD11 LEU A 81 6.263 0.539 -0.951 1.00 40.34 H new ATOM 0 HD12 LEU A 81 7.684 -0.460 -1.340 1.00 40.34 H new ATOM 0 HD13 LEU A 81 7.306 -0.073 0.355 1.00 40.34 H new ATOM 0 HD21 LEU A 81 6.548 2.818 -0.046 1.00 31.20 H new ATOM 0 HD22 LEU A 81 7.644 2.226 1.226 1.00 31.20 H new ATOM 0 HD23 LEU A 81 8.170 3.529 0.133 1.00 31.20 H new ATOM 1407 N LEU A 82 10.199 0.374 -3.780 1.00 24.41 N ATOM 1408 CA LEU A 82 10.262 0.752 -5.182 1.00 0.34 C ATOM 1409 C LEU A 82 8.878 1.259 -5.561 1.00 4.04 C ATOM 1410 O LEU A 82 7.867 0.657 -5.189 1.00 54.44 O ATOM 1411 CB LEU A 82 10.608 -0.468 -6.039 1.00 23.21 C ATOM 1412 CG LEU A 82 11.924 -1.172 -5.652 1.00 15.10 C ATOM 1413 CD1 LEU A 82 11.710 -2.295 -4.625 1.00 72.35 C ATOM 1414 CD2 LEU A 82 12.559 -1.744 -6.921 1.00 20.42 C ATOM 0 H LEU A 82 9.813 -0.562 -3.659 1.00 24.41 H new ATOM 0 HA LEU A 82 11.025 1.513 -5.346 1.00 0.34 H new ATOM 0 HB2 LEU A 82 9.792 -1.188 -5.969 1.00 23.21 H new ATOM 0 HB3 LEU A 82 10.671 -0.157 -7.082 1.00 23.21 H new ATOM 0 HG LEU A 82 12.579 -0.437 -5.185 1.00 15.10 H new ATOM 0 HD11 LEU A 82 12.668 -2.758 -4.387 1.00 72.35 H new ATOM 0 HD12 LEU A 82 11.272 -1.879 -3.717 1.00 72.35 H new ATOM 0 HD13 LEU A 82 11.038 -3.045 -5.041 1.00 72.35 H new ATOM 0 HD21 LEU A 82 13.492 -2.246 -6.666 1.00 20.42 H new ATOM 0 HD22 LEU A 82 11.876 -2.459 -7.379 1.00 20.42 H new ATOM 0 HD23 LEU A 82 12.762 -0.935 -7.623 1.00 20.42 H new ATOM 1426 N VAL A 83 8.826 2.347 -6.319 1.00 4.31 N ATOM 1427 CA VAL A 83 7.581 2.963 -6.747 1.00 13.22 C ATOM 1428 C VAL A 83 7.268 2.400 -8.121 1.00 4.42 C ATOM 1429 O VAL A 83 8.114 2.467 -9.004 1.00 65.43 O ATOM 1430 CB VAL A 83 7.739 4.498 -6.724 1.00 33.41 C ATOM 1431 CG1 VAL A 83 6.385 5.173 -6.954 1.00 52.53 C ATOM 1432 CG2 VAL A 83 8.311 4.976 -5.379 1.00 22.53 C ATOM 0 H VAL A 83 9.658 2.831 -6.657 1.00 4.31 H new ATOM 0 HA VAL A 83 6.744 2.741 -6.084 1.00 13.22 H new ATOM 0 HB VAL A 83 8.430 4.771 -7.521 1.00 33.41 H new ATOM 0 HG11 VAL A 83 6.510 6.256 -6.935 1.00 52.53 H new ATOM 0 HG12 VAL A 83 5.987 4.870 -7.923 1.00 52.53 H new ATOM 0 HG13 VAL A 83 5.691 4.875 -6.168 1.00 52.53 H new ATOM 0 HG21 VAL A 83 8.412 6.061 -5.391 1.00 22.53 H new ATOM 0 HG22 VAL A 83 7.638 4.683 -4.573 1.00 22.53 H new ATOM 0 HG23 VAL A 83 9.289 4.523 -5.218 1.00 22.53 H new ATOM 1442 N ASN A 84 6.122 1.732 -8.271 1.00 55.15 N ATOM 1443 CA ASN A 84 5.673 1.097 -9.514 1.00 45.34 C ATOM 1444 C ASN A 84 6.684 0.033 -9.992 1.00 33.12 C ATOM 1445 O ASN A 84 6.584 -0.448 -11.118 1.00 54.13 O ATOM 1446 CB ASN A 84 5.366 2.142 -10.611 1.00 43.01 C ATOM 1447 CG ASN A 84 4.213 3.087 -10.281 1.00 23.13 C ATOM 1448 OD1 ASN A 84 4.174 3.708 -9.226 1.00 3.24 O ATOM 1449 ND2 ASN A 84 3.274 3.246 -11.191 1.00 13.21 N ATOM 0 H ASN A 84 5.458 1.614 -7.506 1.00 55.15 H new ATOM 0 HA ASN A 84 4.736 0.581 -9.303 1.00 45.34 H new ATOM 0 HB2 ASN A 84 6.263 2.734 -10.793 1.00 43.01 H new ATOM 0 HB3 ASN A 84 5.136 1.619 -11.539 1.00 43.01 H new ATOM 0 HD21 ASN A 84 2.503 3.892 -11.021 1.00 13.21 H new ATOM 0 HD22 ASN A 84 3.318 2.723 -12.066 1.00 13.21 H new ATOM 1456 N GLY A 85 7.630 -0.385 -9.139 1.00 3.52 N ATOM 1457 CA GLY A 85 8.676 -1.360 -9.440 1.00 3.05 C ATOM 1458 C GLY A 85 10.001 -0.685 -9.812 1.00 63.43 C ATOM 1459 O GLY A 85 10.941 -1.372 -10.223 1.00 41.32 O ATOM 0 H GLY A 85 7.685 -0.036 -8.182 1.00 3.52 H new ATOM 0 HA2 GLY A 85 8.829 -2.006 -8.576 1.00 3.05 H new ATOM 0 HA3 GLY A 85 8.351 -1.998 -10.262 1.00 3.05 H new ATOM 1463 N HIS A 86 10.106 0.631 -9.600 1.00 40.23 N ATOM 1464 CA HIS A 86 11.255 1.460 -9.906 1.00 64.12 C ATOM 1465 C HIS A 86 11.649 2.341 -8.713 1.00 40.55 C ATOM 1466 O HIS A 86 10.913 3.240 -8.305 1.00 54.41 O ATOM 1467 CB HIS A 86 10.925 2.309 -11.156 1.00 41.13 C ATOM 1468 CG HIS A 86 10.187 1.566 -12.255 1.00 34.42 C ATOM 1469 ND1 HIS A 86 10.734 0.652 -13.128 1.00 3.31 N ATOM 1470 CD2 HIS A 86 8.840 1.633 -12.522 1.00 61.54 C ATOM 1471 CE1 HIS A 86 9.743 0.185 -13.904 1.00 41.13 C ATOM 1472 NE2 HIS A 86 8.567 0.735 -13.564 1.00 64.42 N ATOM 0 H HIS A 86 9.343 1.167 -9.187 1.00 40.23 H new ATOM 0 HA HIS A 86 12.117 0.826 -10.114 1.00 64.12 H new ATOM 0 HB2 HIS A 86 10.324 3.164 -10.848 1.00 41.13 H new ATOM 0 HB3 HIS A 86 11.855 2.704 -11.565 1.00 41.13 H new ATOM 0 HD2 HIS A 86 8.121 2.264 -12.020 1.00 61.54 H new ATOM 0 HE1 HIS A 86 9.875 -0.537 -14.696 1.00 41.13 H new ATOM 0 HE2 HIS A 86 7.657 0.539 -13.980 1.00 64.42 H new ATOM 1480 N SER A 87 12.785 2.043 -8.087 1.00 43.03 N ATOM 1481 CA SER A 87 13.337 2.790 -6.965 1.00 22.42 C ATOM 1482 C SER A 87 14.206 3.903 -7.559 1.00 22.23 C ATOM 1483 O SER A 87 15.405 3.710 -7.756 1.00 45.33 O ATOM 1484 CB SER A 87 14.156 1.871 -6.036 1.00 41.13 C ATOM 1485 OG SER A 87 14.769 0.756 -6.685 1.00 34.43 O ATOM 0 H SER A 87 13.364 1.248 -8.358 1.00 43.03 H new ATOM 0 HA SER A 87 12.542 3.212 -6.351 1.00 22.42 H new ATOM 0 HB2 SER A 87 14.933 2.465 -5.554 1.00 41.13 H new ATOM 0 HB3 SER A 87 13.502 1.500 -5.247 1.00 41.13 H new ATOM 0 HG SER A 87 15.588 0.509 -6.207 1.00 34.43 H new ATOM 1491 N MET A 88 13.611 5.052 -7.901 1.00 55.23 N ATOM 1492 CA MET A 88 14.360 6.178 -8.467 1.00 72.22 C ATOM 1493 C MET A 88 14.010 7.521 -7.816 1.00 41.32 C ATOM 1494 O MET A 88 14.349 8.569 -8.372 1.00 0.00 O ATOM 1495 CB MET A 88 14.234 6.186 -10.000 1.00 72.31 C ATOM 1496 CG MET A 88 12.829 6.516 -10.513 1.00 62.33 C ATOM 1497 SD MET A 88 12.765 6.679 -12.313 1.00 2.11 S ATOM 1498 CE MET A 88 11.069 7.269 -12.530 1.00 23.44 C ATOM 0 H MET A 88 12.611 5.226 -7.795 1.00 55.23 H new ATOM 0 HA MET A 88 15.414 6.033 -8.228 1.00 72.22 H new ATOM 0 HB2 MET A 88 14.937 6.912 -10.407 1.00 72.31 H new ATOM 0 HB3 MET A 88 14.528 5.209 -10.383 1.00 72.31 H new ATOM 0 HG2 MET A 88 12.138 5.734 -10.198 1.00 62.33 H new ATOM 0 HG3 MET A 88 12.488 7.445 -10.056 1.00 62.33 H new ATOM 0 HE1 MET A 88 10.924 7.588 -13.562 1.00 23.44 H new ATOM 0 HE2 MET A 88 10.371 6.465 -12.297 1.00 23.44 H new ATOM 0 HE3 MET A 88 10.888 8.111 -11.861 1.00 23.44 H new ATOM 1508 N VAL A 89 13.326 7.507 -6.666 1.00 21.31 N ATOM 1509 CA VAL A 89 12.918 8.704 -5.938 1.00 24.30 C ATOM 1510 C VAL A 89 13.476 8.678 -4.515 1.00 65.22 C ATOM 1511 O VAL A 89 13.928 7.642 -4.017 1.00 73.44 O ATOM 1512 CB VAL A 89 11.376 8.825 -6.005 1.00 2.40 C ATOM 1513 CG1 VAL A 89 10.664 7.774 -5.137 1.00 2.34 C ATOM 1514 CG2 VAL A 89 10.864 10.224 -5.625 1.00 51.24 C ATOM 0 H VAL A 89 13.037 6.642 -6.210 1.00 21.31 H new ATOM 0 HA VAL A 89 13.333 9.601 -6.397 1.00 24.30 H new ATOM 0 HB VAL A 89 11.131 8.643 -7.052 1.00 2.40 H new ATOM 0 HG11 VAL A 89 9.585 7.904 -5.220 1.00 2.34 H new ATOM 0 HG12 VAL A 89 10.937 6.775 -5.478 1.00 2.34 H new ATOM 0 HG13 VAL A 89 10.965 7.897 -4.097 1.00 2.34 H new ATOM 0 HG21 VAL A 89 9.776 10.244 -5.692 1.00 51.24 H new ATOM 0 HG22 VAL A 89 11.169 10.459 -4.605 1.00 51.24 H new ATOM 0 HG23 VAL A 89 11.283 10.963 -6.308 1.00 51.24 H new ATOM 1524 N SER A 90 13.439 9.831 -3.853 1.00 74.44 N ATOM 1525 CA SER A 90 13.904 10.015 -2.493 1.00 3.05 C ATOM 1526 C SER A 90 12.981 9.347 -1.465 1.00 31.14 C ATOM 1527 O SER A 90 11.832 8.997 -1.748 1.00 24.35 O ATOM 1528 CB SER A 90 14.036 11.517 -2.242 1.00 23.51 C ATOM 1529 OG SER A 90 14.945 12.080 -3.172 1.00 1.04 O ATOM 0 H SER A 90 13.071 10.687 -4.267 1.00 74.44 H new ATOM 0 HA SER A 90 14.872 9.528 -2.372 1.00 3.05 H new ATOM 0 HB2 SER A 90 13.062 11.998 -2.335 1.00 23.51 H new ATOM 0 HB3 SER A 90 14.384 11.696 -1.225 1.00 23.51 H new ATOM 0 HG SER A 90 15.025 13.043 -3.009 1.00 1.04 H new ATOM 1535 N VAL A 91 13.472 9.259 -0.227 1.00 22.43 N ATOM 1536 CA VAL A 91 12.792 8.639 0.907 1.00 13.35 C ATOM 1537 C VAL A 91 12.177 9.610 1.926 1.00 54.43 C ATOM 1538 O VAL A 91 11.637 9.152 2.924 1.00 72.31 O ATOM 1539 CB VAL A 91 13.770 7.668 1.587 1.00 3.11 C ATOM 1540 CG1 VAL A 91 14.122 6.482 0.676 1.00 52.23 C ATOM 1541 CG2 VAL A 91 15.062 8.356 2.047 1.00 33.21 C ATOM 0 H VAL A 91 14.389 9.632 0.020 1.00 22.43 H new ATOM 0 HA VAL A 91 11.927 8.115 0.501 1.00 13.35 H new ATOM 0 HB VAL A 91 13.248 7.298 2.470 1.00 3.11 H new ATOM 0 HG11 VAL A 91 14.815 5.819 1.193 1.00 52.23 H new ATOM 0 HG12 VAL A 91 13.214 5.933 0.426 1.00 52.23 H new ATOM 0 HG13 VAL A 91 14.587 6.851 -0.238 1.00 52.23 H new ATOM 0 HG21 VAL A 91 15.716 7.623 2.520 1.00 33.21 H new ATOM 0 HG22 VAL A 91 15.569 8.792 1.186 1.00 33.21 H new ATOM 0 HG23 VAL A 91 14.821 9.142 2.762 1.00 33.21 H new ATOM 1551 N SER A 92 12.224 10.923 1.704 1.00 41.04 N ATOM 1552 CA SER A 92 11.673 11.947 2.612 1.00 54.53 C ATOM 1553 C SER A 92 10.582 12.806 1.936 1.00 63.14 C ATOM 1554 O SER A 92 10.054 13.758 2.512 1.00 11.31 O ATOM 1555 CB SER A 92 12.855 12.777 3.144 1.00 51.51 C ATOM 1556 OG SER A 92 12.491 13.615 4.221 1.00 31.14 O ATOM 0 H SER A 92 12.655 11.321 0.870 1.00 41.04 H new ATOM 0 HA SER A 92 11.159 11.473 3.448 1.00 54.53 H new ATOM 0 HB2 SER A 92 13.651 12.105 3.465 1.00 51.51 H new ATOM 0 HB3 SER A 92 13.259 13.386 2.335 1.00 51.51 H new ATOM 0 HG SER A 92 11.551 13.877 4.129 1.00 31.14 H new ATOM 1562 N THR A 93 10.252 12.476 0.696 1.00 5.54 N ATOM 1563 CA THR A 93 9.299 13.097 -0.189 1.00 32.42 C ATOM 1564 C THR A 93 7.868 12.733 0.233 1.00 53.14 C ATOM 1565 O THR A 93 7.657 11.669 0.831 1.00 54.14 O ATOM 1566 CB THR A 93 9.609 12.575 -1.619 1.00 3.04 C ATOM 1567 OG1 THR A 93 10.645 11.594 -1.640 1.00 61.32 O ATOM 1568 CG2 THR A 93 10.081 13.690 -2.555 1.00 35.33 C ATOM 0 H THR A 93 10.699 11.678 0.244 1.00 5.54 H new ATOM 0 HA THR A 93 9.376 14.184 -0.155 1.00 32.42 H new ATOM 0 HB THR A 93 8.663 12.148 -1.952 1.00 3.04 H new ATOM 0 HG1 THR A 93 10.248 10.699 -1.686 1.00 61.32 H new ATOM 0 HG21 THR A 93 10.285 13.275 -3.542 1.00 35.33 H new ATOM 0 HG22 THR A 93 9.305 14.451 -2.635 1.00 35.33 H new ATOM 0 HG23 THR A 93 10.990 14.140 -2.156 1.00 35.33 H new ATOM 1576 N PRO A 94 6.881 13.587 -0.069 1.00 14.03 N ATOM 1577 CA PRO A 94 5.494 13.334 0.258 1.00 22.54 C ATOM 1578 C PRO A 94 4.856 12.405 -0.791 1.00 35.43 C ATOM 1579 O PRO A 94 5.141 12.457 -1.999 1.00 52.12 O ATOM 1580 CB PRO A 94 4.860 14.721 0.291 1.00 12.15 C ATOM 1581 CG PRO A 94 5.624 15.504 -0.766 1.00 60.33 C ATOM 1582 CD PRO A 94 7.013 14.868 -0.748 1.00 33.41 C ATOM 0 HA PRO A 94 5.356 12.818 1.208 1.00 22.54 H new ATOM 0 HB2 PRO A 94 3.795 14.678 0.063 1.00 12.15 H new ATOM 0 HB3 PRO A 94 4.957 15.180 1.275 1.00 12.15 H new ATOM 0 HG2 PRO A 94 5.156 15.417 -1.746 1.00 60.33 H new ATOM 0 HG3 PRO A 94 5.666 16.566 -0.526 1.00 60.33 H new ATOM 0 HD2 PRO A 94 7.388 14.731 -1.762 1.00 33.41 H new ATOM 0 HD3 PRO A 94 7.725 15.509 -0.228 1.00 33.41 H new ATOM 1590 N ILE A 95 3.998 11.504 -0.312 1.00 31.54 N ATOM 1591 CA ILE A 95 3.296 10.572 -1.176 1.00 41.22 C ATOM 1592 C ILE A 95 2.356 11.340 -2.107 1.00 0.43 C ATOM 1593 O ILE A 95 1.980 10.793 -3.135 1.00 5.34 O ATOM 1594 CB ILE A 95 2.643 9.433 -0.375 1.00 21.13 C ATOM 1595 CG1 ILE A 95 2.164 8.230 -1.215 1.00 42.34 C ATOM 1596 CG2 ILE A 95 1.523 9.918 0.553 1.00 2.25 C ATOM 1597 CD1 ILE A 95 3.282 7.594 -2.041 1.00 42.34 C ATOM 0 H ILE A 95 3.775 11.405 0.678 1.00 31.54 H new ATOM 0 HA ILE A 95 4.005 10.057 -1.824 1.00 41.22 H new ATOM 0 HB ILE A 95 3.465 9.063 0.238 1.00 21.13 H new ATOM 0 HG12 ILE A 95 1.737 7.478 -0.552 1.00 42.34 H new ATOM 0 HG13 ILE A 95 1.366 8.555 -1.883 1.00 42.34 H new ATOM 0 HG21 ILE A 95 1.102 9.068 1.090 1.00 2.25 H new ATOM 0 HG22 ILE A 95 1.927 10.635 1.268 1.00 2.25 H new ATOM 0 HG23 ILE A 95 0.742 10.396 -0.038 1.00 2.25 H new ATOM 0 HD11 ILE A 95 2.882 6.754 -2.609 1.00 42.34 H new ATOM 0 HD12 ILE A 95 3.693 8.334 -2.728 1.00 42.34 H new ATOM 0 HD13 ILE A 95 4.069 7.240 -1.376 1.00 42.34 H new ATOM 1609 N SER A 96 1.969 12.581 -1.778 1.00 0.01 N ATOM 1610 CA SER A 96 1.107 13.381 -2.631 1.00 43.21 C ATOM 1611 C SER A 96 1.805 13.580 -3.983 1.00 53.25 C ATOM 1612 O SER A 96 1.215 13.247 -5.013 1.00 40.45 O ATOM 1613 CB SER A 96 0.753 14.712 -1.952 1.00 52.33 C ATOM 1614 OG SER A 96 1.865 15.309 -1.315 1.00 24.15 O ATOM 0 H SER A 96 2.248 13.048 -0.915 1.00 0.01 H new ATOM 0 HA SER A 96 0.162 12.866 -2.802 1.00 43.21 H new ATOM 0 HB2 SER A 96 0.352 15.400 -2.696 1.00 52.33 H new ATOM 0 HB3 SER A 96 -0.034 14.543 -1.218 1.00 52.33 H new ATOM 0 HG SER A 96 1.590 16.153 -0.900 1.00 24.15 H new ATOM 1620 N GLU A 97 3.043 14.094 -4.006 1.00 63.51 N ATOM 1621 CA GLU A 97 3.753 14.298 -5.263 1.00 65.33 C ATOM 1622 C GLU A 97 4.131 12.952 -5.882 1.00 21.33 C ATOM 1623 O GLU A 97 4.005 12.797 -7.096 1.00 52.21 O ATOM 1624 CB GLU A 97 4.934 15.267 -5.135 1.00 62.31 C ATOM 1625 CG GLU A 97 6.194 14.676 -4.501 1.00 54.41 C ATOM 1626 CD GLU A 97 7.276 15.741 -4.359 1.00 23.55 C ATOM 1627 OE1 GLU A 97 7.149 16.583 -3.439 1.00 12.10 O ATOM 1628 OE2 GLU A 97 8.244 15.700 -5.146 1.00 72.51 O ATOM 0 H GLU A 97 3.564 14.372 -3.174 1.00 63.51 H new ATOM 0 HA GLU A 97 3.074 14.795 -5.955 1.00 65.33 H new ATOM 0 HB2 GLU A 97 5.187 15.640 -6.127 1.00 62.31 H new ATOM 0 HB3 GLU A 97 4.617 16.125 -4.543 1.00 62.31 H new ATOM 0 HG2 GLU A 97 5.954 14.261 -3.522 1.00 54.41 H new ATOM 0 HG3 GLU A 97 6.564 13.854 -5.114 1.00 54.41 H new ATOM 1635 N VAL A 98 4.538 11.960 -5.072 1.00 13.00 N ATOM 1636 CA VAL A 98 4.891 10.647 -5.631 1.00 62.13 C ATOM 1637 C VAL A 98 3.671 10.065 -6.386 1.00 52.35 C ATOM 1638 O VAL A 98 3.813 9.536 -7.499 1.00 62.13 O ATOM 1639 CB VAL A 98 5.465 9.765 -4.504 1.00 1.33 C ATOM 1640 CG1 VAL A 98 5.643 8.291 -4.874 1.00 61.34 C ATOM 1641 CG2 VAL A 98 6.827 10.303 -4.025 1.00 53.21 C ATOM 0 H VAL A 98 4.629 12.038 -4.059 1.00 13.00 H new ATOM 0 HA VAL A 98 5.680 10.713 -6.381 1.00 62.13 H new ATOM 0 HB VAL A 98 4.715 9.815 -3.714 1.00 1.33 H new ATOM 0 HG11 VAL A 98 6.051 7.749 -4.021 1.00 61.34 H new ATOM 0 HG12 VAL A 98 4.677 7.865 -5.146 1.00 61.34 H new ATOM 0 HG13 VAL A 98 6.327 8.208 -5.718 1.00 61.34 H new ATOM 0 HG21 VAL A 98 7.211 9.664 -3.230 1.00 53.21 H new ATOM 0 HG22 VAL A 98 7.530 10.308 -4.858 1.00 53.21 H new ATOM 0 HG23 VAL A 98 6.705 11.318 -3.647 1.00 53.21 H new ATOM 1651 N TYR A 99 2.465 10.232 -5.827 1.00 1.23 N ATOM 1652 CA TYR A 99 1.204 9.780 -6.395 1.00 4.10 C ATOM 1653 C TYR A 99 1.018 10.431 -7.749 1.00 24.12 C ATOM 1654 O TYR A 99 0.920 9.728 -8.749 1.00 53.35 O ATOM 1655 CB TYR A 99 0.022 10.167 -5.484 1.00 62.44 C ATOM 1656 CG TYR A 99 -1.385 9.898 -6.002 1.00 25.13 C ATOM 1657 CD1 TYR A 99 -1.650 8.843 -6.895 1.00 20.41 C ATOM 1658 CD2 TYR A 99 -2.449 10.716 -5.566 1.00 62.53 C ATOM 1659 CE1 TYR A 99 -2.962 8.609 -7.335 1.00 45.11 C ATOM 1660 CE2 TYR A 99 -3.771 10.457 -5.974 1.00 72.31 C ATOM 1661 CZ TYR A 99 -4.036 9.382 -6.850 1.00 71.32 C ATOM 1662 OH TYR A 99 -5.314 9.042 -7.183 1.00 43.03 O ATOM 0 H TYR A 99 2.345 10.705 -4.931 1.00 1.23 H new ATOM 0 HA TYR A 99 1.229 8.694 -6.490 1.00 4.10 H new ATOM 0 HB2 TYR A 99 0.139 9.637 -4.539 1.00 62.44 H new ATOM 0 HB3 TYR A 99 0.101 11.232 -5.265 1.00 62.44 H new ATOM 0 HD1 TYR A 99 -0.844 8.214 -7.242 1.00 20.41 H new ATOM 0 HD2 TYR A 99 -2.247 11.551 -4.911 1.00 62.53 H new ATOM 0 HE1 TYR A 99 -3.151 7.826 -8.055 1.00 45.11 H new ATOM 0 HE2 TYR A 99 -4.580 11.078 -5.618 1.00 72.31 H new ATOM 0 HH TYR A 99 -5.367 8.075 -7.333 1.00 43.03 H new ATOM 1672 N GLU A 100 0.969 11.765 -7.796 1.00 54.24 N ATOM 1673 CA GLU A 100 0.775 12.437 -9.075 1.00 71.51 C ATOM 1674 C GLU A 100 1.918 12.182 -10.061 1.00 33.20 C ATOM 1675 O GLU A 100 1.720 12.419 -11.252 1.00 2.12 O ATOM 1676 CB GLU A 100 0.446 13.925 -8.910 1.00 13.33 C ATOM 1677 CG GLU A 100 1.459 14.684 -8.059 1.00 40.03 C ATOM 1678 CD GLU A 100 1.298 16.203 -8.003 1.00 45.03 C ATOM 1679 OE1 GLU A 100 0.346 16.784 -8.582 1.00 61.51 O ATOM 1680 OE2 GLU A 100 2.080 16.824 -7.246 1.00 62.23 O ATOM 0 H GLU A 100 1.058 12.382 -6.988 1.00 54.24 H new ATOM 0 HA GLU A 100 -0.106 11.982 -9.527 1.00 71.51 H new ATOM 0 HB2 GLU A 100 0.392 14.388 -9.895 1.00 13.33 H new ATOM 0 HB3 GLU A 100 -0.541 14.022 -8.458 1.00 13.33 H new ATOM 0 HG2 GLU A 100 1.408 14.297 -7.041 1.00 40.03 H new ATOM 0 HG3 GLU A 100 2.457 14.460 -8.435 1.00 40.03 H new ATOM 1687 N SER A 101 3.083 11.686 -9.633 1.00 2.04 N ATOM 1688 CA SER A 101 4.187 11.419 -10.539 1.00 40.42 C ATOM 1689 C SER A 101 4.138 10.036 -11.185 1.00 61.23 C ATOM 1690 O SER A 101 4.569 9.944 -12.339 1.00 41.51 O ATOM 1691 CB SER A 101 5.521 11.635 -9.816 1.00 1.10 C ATOM 1692 OG SER A 101 6.543 11.976 -10.745 1.00 24.31 O ATOM 0 H SER A 101 3.279 11.463 -8.657 1.00 2.04 H new ATOM 0 HA SER A 101 4.091 12.129 -11.361 1.00 40.42 H new ATOM 0 HB2 SER A 101 5.416 12.428 -9.075 1.00 1.10 H new ATOM 0 HB3 SER A 101 5.799 10.730 -9.276 1.00 1.10 H new ATOM 0 HG SER A 101 7.388 12.112 -10.267 1.00 24.31 H new ATOM 1698 N GLU A 102 3.620 8.997 -10.518 1.00 44.44 N ATOM 1699 CA GLU A 102 3.578 7.638 -11.097 1.00 21.32 C ATOM 1700 C GLU A 102 2.163 7.017 -11.082 1.00 14.31 C ATOM 1701 O GLU A 102 2.010 5.818 -11.313 1.00 1.31 O ATOM 1702 CB GLU A 102 4.610 6.718 -10.407 1.00 61.22 C ATOM 1703 CG GLU A 102 6.044 7.251 -10.197 1.00 51.11 C ATOM 1704 CD GLU A 102 7.044 6.928 -11.316 1.00 73.13 C ATOM 1705 OE1 GLU A 102 6.789 7.243 -12.507 1.00 2.44 O ATOM 1706 OE2 GLU A 102 8.182 6.548 -10.977 1.00 62.23 O ATOM 0 H GLU A 102 3.224 9.065 -9.580 1.00 44.44 H new ATOM 0 HA GLU A 102 3.850 7.734 -12.148 1.00 21.32 H new ATOM 0 HB2 GLU A 102 4.211 6.445 -9.430 1.00 61.22 H new ATOM 0 HB3 GLU A 102 4.679 5.800 -10.991 1.00 61.22 H new ATOM 0 HG2 GLU A 102 5.996 8.334 -10.079 1.00 51.11 H new ATOM 0 HG3 GLU A 102 6.430 6.845 -9.262 1.00 51.11 H new ATOM 1713 N LYS A 103 1.122 7.819 -10.820 1.00 42.21 N ATOM 1714 CA LYS A 103 -0.287 7.389 -10.762 1.00 20.44 C ATOM 1715 C LYS A 103 -0.697 6.493 -11.936 1.00 21.31 C ATOM 1716 O LYS A 103 -0.669 6.910 -13.098 1.00 24.53 O ATOM 1717 CB LYS A 103 -1.223 8.620 -10.742 1.00 20.33 C ATOM 1718 CG LYS A 103 -0.796 9.810 -11.618 1.00 52.14 C ATOM 1719 CD LYS A 103 -1.968 10.744 -11.948 1.00 3.32 C ATOM 1720 CE LYS A 103 -2.755 11.210 -10.713 1.00 13.53 C ATOM 1721 NZ LYS A 103 -3.737 12.261 -11.055 1.00 63.23 N ATOM 0 H LYS A 103 1.238 8.816 -10.637 1.00 42.21 H new ATOM 0 HA LYS A 103 -0.383 6.807 -9.845 1.00 20.44 H new ATOM 0 HB2 LYS A 103 -2.216 8.301 -11.058 1.00 20.33 H new ATOM 0 HB3 LYS A 103 -1.312 8.967 -9.712 1.00 20.33 H new ATOM 0 HG2 LYS A 103 -0.018 10.375 -11.104 1.00 52.14 H new ATOM 0 HG3 LYS A 103 -0.360 9.437 -12.545 1.00 52.14 H new ATOM 0 HD2 LYS A 103 -1.587 11.618 -12.476 1.00 3.32 H new ATOM 0 HD3 LYS A 103 -2.648 10.232 -12.629 1.00 3.32 H new ATOM 0 HE2 LYS A 103 -3.272 10.359 -10.269 1.00 13.53 H new ATOM 0 HE3 LYS A 103 -2.062 11.590 -9.962 1.00 13.53 H new ATOM 0 HZ1 LYS A 103 -4.249 12.550 -10.197 1.00 63.23 H new ATOM 0 HZ2 LYS A 103 -3.241 13.082 -11.456 1.00 63.23 H new ATOM 0 HZ3 LYS A 103 -4.413 11.890 -11.753 1.00 63.23 H new ATOM 1735 N ASP A 104 -1.210 5.309 -11.600 1.00 45.23 N ATOM 1736 CA ASP A 104 -1.723 4.327 -12.531 1.00 64.41 C ATOM 1737 C ASP A 104 -2.982 4.895 -13.171 1.00 25.12 C ATOM 1738 O ASP A 104 -3.671 5.720 -12.561 1.00 4.13 O ATOM 1739 CB ASP A 104 -2.180 3.060 -11.798 1.00 20.30 C ATOM 1740 CG ASP A 104 -1.051 2.086 -11.541 1.00 73.34 C ATOM 1741 OD1 ASP A 104 -0.383 2.162 -10.496 1.00 4.01 O ATOM 1742 OD2 ASP A 104 -0.903 1.202 -12.418 1.00 63.13 O ATOM 0 H ASP A 104 -1.278 5.004 -10.629 1.00 45.23 H new ATOM 0 HA ASP A 104 -0.935 4.096 -13.248 1.00 64.41 H new ATOM 0 HB2 ASP A 104 -2.634 3.341 -10.848 1.00 20.30 H new ATOM 0 HB3 ASP A 104 -2.953 2.565 -12.386 1.00 20.30 H new ATOM 1747 N GLU A 105 -3.354 4.356 -14.330 1.00 20.41 N ATOM 1748 CA GLU A 105 -4.551 4.735 -15.077 1.00 4.23 C ATOM 1749 C GLU A 105 -5.824 4.438 -14.252 1.00 0.43 C ATOM 1750 O GLU A 105 -6.886 5.016 -14.499 1.00 21.32 O ATOM 1751 CB GLU A 105 -4.556 3.959 -16.410 1.00 75.14 C ATOM 1752 CG GLU A 105 -4.747 2.447 -16.179 1.00 12.52 C ATOM 1753 CD GLU A 105 -4.653 1.573 -17.426 1.00 1.53 C ATOM 1754 OE1 GLU A 105 -5.115 2.014 -18.500 1.00 73.11 O ATOM 1755 OE2 GLU A 105 -4.220 0.399 -17.293 1.00 4.35 O ATOM 0 H GLU A 105 -2.815 3.622 -14.789 1.00 20.41 H new ATOM 0 HA GLU A 105 -4.543 5.806 -15.280 1.00 4.23 H new ATOM 0 HB2 GLU A 105 -5.355 4.335 -17.049 1.00 75.14 H new ATOM 0 HB3 GLU A 105 -3.618 4.133 -16.937 1.00 75.14 H new ATOM 0 HG2 GLU A 105 -3.998 2.109 -15.463 1.00 12.52 H new ATOM 0 HG3 GLU A 105 -5.722 2.288 -15.718 1.00 12.52 H new ATOM 1762 N ASP A 106 -5.722 3.547 -13.260 1.00 21.10 N ATOM 1763 CA ASP A 106 -6.796 3.117 -12.364 1.00 43.21 C ATOM 1764 C ASP A 106 -6.946 4.091 -11.187 1.00 53.32 C ATOM 1765 O ASP A 106 -7.912 4.001 -10.430 1.00 4.44 O ATOM 1766 CB ASP A 106 -6.483 1.730 -11.766 1.00 12.44 C ATOM 1767 CG ASP A 106 -6.386 0.574 -12.762 1.00 64.51 C ATOM 1768 OD1 ASP A 106 -5.619 0.663 -13.739 1.00 45.41 O ATOM 1769 OD2 ASP A 106 -6.924 -0.518 -12.478 1.00 2.23 O ATOM 0 H ASP A 106 -4.838 3.082 -13.051 1.00 21.10 H new ATOM 0 HA ASP A 106 -7.711 3.085 -12.955 1.00 43.21 H new ATOM 0 HB2 ASP A 106 -5.540 1.795 -11.223 1.00 12.44 H new ATOM 0 HB3 ASP A 106 -7.255 1.489 -11.035 1.00 12.44 H new ATOM 1774 N GLY A 107 -5.999 5.015 -10.999 1.00 44.33 N ATOM 1775 CA GLY A 107 -5.978 6.002 -9.920 1.00 40.34 C ATOM 1776 C GLY A 107 -5.409 5.445 -8.609 1.00 4.33 C ATOM 1777 O GLY A 107 -5.393 6.157 -7.599 1.00 3.04 O ATOM 0 H GLY A 107 -5.194 5.097 -11.621 1.00 44.33 H new ATOM 0 HA2 GLY A 107 -5.383 6.861 -10.232 1.00 40.34 H new ATOM 0 HA3 GLY A 107 -6.992 6.363 -9.745 1.00 40.34 H new ATOM 1781 N PHE A 108 -4.956 4.187 -8.614 1.00 74.43 N ATOM 1782 CA PHE A 108 -4.335 3.492 -7.492 1.00 13.11 C ATOM 1783 C PHE A 108 -2.827 3.756 -7.574 1.00 2.40 C ATOM 1784 O PHE A 108 -2.305 4.000 -8.659 1.00 51.44 O ATOM 1785 CB PHE A 108 -4.587 1.978 -7.611 1.00 33.53 C ATOM 1786 CG PHE A 108 -5.308 1.381 -6.424 1.00 72.23 C ATOM 1787 CD1 PHE A 108 -4.748 1.463 -5.137 1.00 53.14 C ATOM 1788 CD2 PHE A 108 -6.540 0.732 -6.606 1.00 45.03 C ATOM 1789 CE1 PHE A 108 -5.407 0.894 -4.035 1.00 40.15 C ATOM 1790 CE2 PHE A 108 -7.208 0.174 -5.508 1.00 62.41 C ATOM 1791 CZ PHE A 108 -6.634 0.237 -4.223 1.00 64.33 C ATOM 0 H PHE A 108 -5.018 3.600 -9.446 1.00 74.43 H new ATOM 0 HA PHE A 108 -4.749 3.844 -6.547 1.00 13.11 H new ATOM 0 HB2 PHE A 108 -5.170 1.787 -8.512 1.00 33.53 H new ATOM 0 HB3 PHE A 108 -3.631 1.469 -7.736 1.00 33.53 H new ATOM 0 HD1 PHE A 108 -3.804 1.967 -4.995 1.00 53.14 H new ATOM 0 HD2 PHE A 108 -6.973 0.663 -7.593 1.00 45.03 H new ATOM 0 HE1 PHE A 108 -4.973 0.961 -3.048 1.00 40.15 H new ATOM 0 HE2 PHE A 108 -8.166 -0.306 -5.647 1.00 62.41 H new ATOM 0 HZ PHE A 108 -7.137 -0.219 -3.383 1.00 64.33 H new ATOM 1801 N LEU A 109 -2.110 3.720 -6.456 1.00 73.11 N ATOM 1802 CA LEU A 109 -0.666 3.941 -6.421 1.00 64.21 C ATOM 1803 C LEU A 109 0.057 2.614 -6.159 1.00 1.10 C ATOM 1804 O LEU A 109 -0.017 2.122 -5.034 1.00 43.03 O ATOM 1805 CB LEU A 109 -0.438 5.025 -5.372 1.00 11.13 C ATOM 1806 CG LEU A 109 0.975 5.583 -5.307 1.00 14.50 C ATOM 1807 CD1 LEU A 109 0.951 6.831 -4.425 1.00 2.11 C ATOM 1808 CD2 LEU A 109 2.061 4.636 -4.795 1.00 13.42 C ATOM 0 H LEU A 109 -2.517 3.535 -5.539 1.00 73.11 H new ATOM 0 HA LEU A 109 -0.250 4.288 -7.367 1.00 64.21 H new ATOM 0 HB2 LEU A 109 -1.126 5.847 -5.568 1.00 11.13 H new ATOM 0 HB3 LEU A 109 -0.696 4.620 -4.393 1.00 11.13 H new ATOM 0 HG LEU A 109 1.254 5.785 -6.341 1.00 14.50 H new ATOM 0 HD11 LEU A 109 1.955 7.251 -4.362 1.00 2.11 H new ATOM 0 HD12 LEU A 109 0.275 7.569 -4.857 1.00 2.11 H new ATOM 0 HD13 LEU A 109 0.606 6.564 -3.426 1.00 2.11 H new ATOM 0 HD21 LEU A 109 3.022 5.150 -4.796 1.00 13.42 H new ATOM 0 HD22 LEU A 109 1.819 4.320 -3.780 1.00 13.42 H new ATOM 0 HD23 LEU A 109 2.117 3.762 -5.443 1.00 13.42 H new ATOM 1820 N TYR A 110 0.734 2.007 -7.138 1.00 71.44 N ATOM 1821 CA TYR A 110 1.430 0.730 -6.941 1.00 64.55 C ATOM 1822 C TYR A 110 2.863 0.882 -6.410 1.00 31.23 C ATOM 1823 O TYR A 110 3.626 1.724 -6.870 1.00 35.52 O ATOM 1824 CB TYR A 110 1.506 -0.044 -8.271 1.00 5.22 C ATOM 1825 CG TYR A 110 0.285 -0.847 -8.702 1.00 45.31 C ATOM 1826 CD1 TYR A 110 -0.984 -0.249 -8.801 1.00 60.21 C ATOM 1827 CD2 TYR A 110 0.450 -2.173 -9.148 1.00 64.23 C ATOM 1828 CE1 TYR A 110 -2.055 -0.942 -9.388 1.00 14.00 C ATOM 1829 CE2 TYR A 110 -0.615 -2.877 -9.736 1.00 45.15 C ATOM 1830 CZ TYR A 110 -1.868 -2.250 -9.893 1.00 24.24 C ATOM 1831 OH TYR A 110 -2.864 -2.890 -10.566 1.00 31.22 O ATOM 0 H TYR A 110 0.816 2.383 -8.083 1.00 71.44 H new ATOM 0 HA TYR A 110 0.846 0.194 -6.193 1.00 64.55 H new ATOM 0 HB2 TYR A 110 1.731 0.672 -9.062 1.00 5.22 H new ATOM 0 HB3 TYR A 110 2.352 -0.729 -8.211 1.00 5.22 H new ATOM 0 HD1 TYR A 110 -1.136 0.751 -8.423 1.00 60.21 H new ATOM 0 HD2 TYR A 110 1.409 -2.656 -9.036 1.00 64.23 H new ATOM 0 HE1 TYR A 110 -3.026 -0.474 -9.454 1.00 14.00 H new ATOM 0 HE2 TYR A 110 -0.474 -3.895 -10.067 1.00 45.15 H new ATOM 0 HH TYR A 110 -3.422 -2.231 -11.029 1.00 31.22 H new ATOM 1841 N MET A 111 3.274 0.026 -5.469 1.00 63.11 N ATOM 1842 CA MET A 111 4.625 -0.001 -4.903 1.00 3.34 C ATOM 1843 C MET A 111 4.957 -1.444 -4.534 1.00 20.52 C ATOM 1844 O MET A 111 4.067 -2.249 -4.211 1.00 71.31 O ATOM 1845 CB MET A 111 4.792 0.849 -3.635 1.00 55.32 C ATOM 1846 CG MET A 111 4.780 2.364 -3.844 1.00 34.25 C ATOM 1847 SD MET A 111 4.840 3.260 -2.274 1.00 14.13 S ATOM 1848 CE MET A 111 5.434 4.892 -2.783 1.00 22.14 C ATOM 0 H MET A 111 2.660 -0.685 -5.070 1.00 63.11 H new ATOM 0 HA MET A 111 5.288 0.415 -5.661 1.00 3.34 H new ATOM 0 HB2 MET A 111 3.994 0.591 -2.939 1.00 55.32 H new ATOM 0 HB3 MET A 111 5.732 0.574 -3.157 1.00 55.32 H new ATOM 0 HG2 MET A 111 5.632 2.653 -4.460 1.00 34.25 H new ATOM 0 HG3 MET A 111 3.881 2.648 -4.390 1.00 34.25 H new ATOM 0 HE1 MET A 111 5.035 5.651 -2.110 1.00 22.14 H new ATOM 0 HE2 MET A 111 6.523 4.911 -2.746 1.00 22.14 H new ATOM 0 HE3 MET A 111 5.102 5.099 -3.800 1.00 22.14 H new ATOM 1858 N VAL A 112 6.243 -1.777 -4.567 1.00 54.33 N ATOM 1859 CA VAL A 112 6.740 -3.106 -4.221 1.00 21.13 C ATOM 1860 C VAL A 112 7.955 -2.949 -3.324 1.00 44.03 C ATOM 1861 O VAL A 112 8.673 -1.957 -3.442 1.00 32.22 O ATOM 1862 CB VAL A 112 7.001 -4.004 -5.451 1.00 31.43 C ATOM 1863 CG1 VAL A 112 5.709 -4.721 -5.862 1.00 24.10 C ATOM 1864 CG2 VAL A 112 7.562 -3.281 -6.677 1.00 3.41 C ATOM 0 H VAL A 112 6.979 -1.125 -4.838 1.00 54.33 H new ATOM 0 HA VAL A 112 5.963 -3.640 -3.674 1.00 21.13 H new ATOM 0 HB VAL A 112 7.770 -4.704 -5.125 1.00 31.43 H new ATOM 0 HG11 VAL A 112 5.903 -5.351 -6.730 1.00 24.10 H new ATOM 0 HG12 VAL A 112 5.357 -5.339 -5.036 1.00 24.10 H new ATOM 0 HG13 VAL A 112 4.947 -3.983 -6.113 1.00 24.10 H new ATOM 0 HG21 VAL A 112 7.710 -3.997 -7.485 1.00 3.41 H new ATOM 0 HG22 VAL A 112 6.860 -2.511 -6.998 1.00 3.41 H new ATOM 0 HG23 VAL A 112 8.516 -2.819 -6.422 1.00 3.41 H new ATOM 1874 N TYR A 113 8.197 -3.914 -2.436 1.00 11.22 N ATOM 1875 CA TYR A 113 9.340 -3.843 -1.526 1.00 20.12 C ATOM 1876 C TYR A 113 10.136 -5.151 -1.515 1.00 35.34 C ATOM 1877 O TYR A 113 9.589 -6.228 -1.795 1.00 40.54 O ATOM 1878 CB TYR A 113 8.837 -3.478 -0.114 1.00 3.54 C ATOM 1879 CG TYR A 113 8.153 -4.649 0.558 1.00 5.44 C ATOM 1880 CD1 TYR A 113 6.778 -4.848 0.366 1.00 40.31 C ATOM 1881 CD2 TYR A 113 8.920 -5.630 1.215 1.00 31.54 C ATOM 1882 CE1 TYR A 113 6.171 -6.034 0.801 1.00 11.35 C ATOM 1883 CE2 TYR A 113 8.325 -6.831 1.630 1.00 74.14 C ATOM 1884 CZ TYR A 113 6.943 -7.033 1.432 1.00 73.21 C ATOM 1885 OH TYR A 113 6.344 -8.185 1.829 1.00 33.14 O ATOM 0 H TYR A 113 7.621 -4.749 -2.328 1.00 11.22 H new ATOM 0 HA TYR A 113 10.023 -3.069 -1.875 1.00 20.12 H new ATOM 0 HB2 TYR A 113 9.677 -3.148 0.497 1.00 3.54 H new ATOM 0 HB3 TYR A 113 8.143 -2.640 -0.181 1.00 3.54 H new ATOM 0 HD1 TYR A 113 6.186 -4.086 -0.118 1.00 40.31 H new ATOM 0 HD2 TYR A 113 9.970 -5.457 1.400 1.00 31.54 H new ATOM 0 HE1 TYR A 113 5.112 -6.184 0.653 1.00 11.35 H new ATOM 0 HE2 TYR A 113 8.923 -7.598 2.099 1.00 74.14 H new ATOM 0 HH TYR A 113 6.819 -8.550 2.604 1.00 33.14 H new ATOM 1895 N ALA A 114 11.432 -5.037 -1.209 1.00 43.42 N ATOM 1896 CA ALA A 114 12.377 -6.153 -1.098 1.00 24.23 C ATOM 1897 C ALA A 114 13.650 -5.706 -0.374 1.00 0.13 C ATOM 1898 O ALA A 114 13.834 -4.517 -0.110 1.00 2.04 O ATOM 1899 CB ALA A 114 12.761 -6.676 -2.481 1.00 24.20 C ATOM 0 H ALA A 114 11.868 -4.133 -1.025 1.00 43.42 H new ATOM 0 HA ALA A 114 11.888 -6.945 -0.531 1.00 24.23 H new ATOM 0 HB1 ALA A 114 13.463 -7.503 -2.375 1.00 24.20 H new ATOM 0 HB2 ALA A 114 11.867 -7.022 -3.000 1.00 24.20 H new ATOM 0 HB3 ALA A 114 13.227 -5.876 -3.056 1.00 24.20 H new ATOM 1905 N SER A 115 14.556 -6.636 -0.078 1.00 11.32 N ATOM 1906 CA SER A 115 15.821 -6.348 0.572 1.00 20.54 C ATOM 1907 C SER A 115 16.857 -6.323 -0.560 1.00 74.45 C ATOM 1908 O SER A 115 17.641 -7.255 -0.718 1.00 71.22 O ATOM 1909 CB SER A 115 16.055 -7.444 1.636 1.00 63.24 C ATOM 1910 OG SER A 115 17.020 -7.092 2.615 1.00 71.34 O ATOM 0 H SER A 115 14.424 -7.625 -0.289 1.00 11.32 H new ATOM 0 HA SER A 115 15.869 -5.397 1.102 1.00 20.54 H new ATOM 0 HB2 SER A 115 15.110 -7.663 2.133 1.00 63.24 H new ATOM 0 HB3 SER A 115 16.373 -8.360 1.138 1.00 63.24 H new ATOM 0 HG SER A 115 16.839 -6.186 2.942 1.00 71.34 H new ATOM 1916 N GLN A 116 16.880 -5.236 -1.338 1.00 33.23 N ATOM 1917 CA GLN A 116 17.786 -4.988 -2.457 1.00 32.15 C ATOM 1918 C GLN A 116 17.537 -3.547 -2.897 1.00 35.11 C ATOM 1919 O GLN A 116 16.381 -3.162 -3.092 1.00 5.14 O ATOM 1920 CB GLN A 116 17.551 -5.953 -3.638 1.00 14.12 C ATOM 1921 CG GLN A 116 18.581 -5.737 -4.746 1.00 21.14 C ATOM 1922 CD GLN A 116 18.866 -7.018 -5.533 1.00 25.13 C ATOM 1923 OE1 GLN A 116 19.193 -8.073 -4.990 1.00 71.12 O ATOM 1924 NE2 GLN A 116 18.770 -6.947 -6.839 1.00 61.23 N ATOM 0 H GLN A 116 16.229 -4.464 -1.193 1.00 33.23 H new ATOM 0 HA GLN A 116 18.816 -5.152 -2.140 1.00 32.15 H new ATOM 0 HB2 GLN A 116 17.604 -6.983 -3.285 1.00 14.12 H new ATOM 0 HB3 GLN A 116 16.548 -5.805 -4.037 1.00 14.12 H new ATOM 0 HG2 GLN A 116 18.221 -4.967 -5.428 1.00 21.14 H new ATOM 0 HG3 GLN A 116 19.509 -5.368 -4.309 1.00 21.14 H new ATOM 0 HE21 GLN A 116 18.499 -6.070 -7.283 1.00 61.23 H new ATOM 0 HE22 GLN A 116 18.967 -7.769 -7.410 1.00 61.23 H new ATOM 1933 N GLU A 117 18.600 -2.774 -3.087 1.00 13.24 N ATOM 1934 CA GLU A 117 18.541 -1.372 -3.482 1.00 2.05 C ATOM 1935 C GLU A 117 18.268 -1.157 -4.974 1.00 43.31 C ATOM 1936 O GLU A 117 17.525 -0.243 -5.337 1.00 40.13 O ATOM 1937 CB GLU A 117 19.884 -0.737 -3.109 1.00 33.20 C ATOM 1938 CG GLU A 117 19.842 0.789 -3.212 1.00 4.55 C ATOM 1939 CD GLU A 117 21.194 1.373 -2.820 1.00 32.35 C ATOM 1940 OE1 GLU A 117 22.146 1.212 -3.618 1.00 12.45 O ATOM 1941 OE2 GLU A 117 21.308 2.024 -1.758 1.00 62.12 O ATOM 0 H GLU A 117 19.554 -3.115 -2.967 1.00 13.24 H new ATOM 0 HA GLU A 117 17.702 -0.910 -2.961 1.00 2.05 H new ATOM 0 HB2 GLU A 117 20.152 -1.025 -2.092 1.00 33.20 H new ATOM 0 HB3 GLU A 117 20.663 -1.124 -3.766 1.00 33.20 H new ATOM 0 HG2 GLU A 117 19.589 1.087 -4.230 1.00 4.55 H new ATOM 0 HG3 GLU A 117 19.063 1.185 -2.561 1.00 4.55 H new ATOM 1948 N THR A 118 18.847 -1.988 -5.842 1.00 1.50 N ATOM 1949 CA THR A 118 18.701 -1.889 -7.289 1.00 41.44 C ATOM 1950 C THR A 118 18.341 -3.262 -7.842 1.00 43.03 C ATOM 1951 O THR A 118 19.069 -4.236 -7.642 1.00 33.44 O ATOM 1952 CB THR A 118 19.977 -1.284 -7.909 1.00 60.44 C ATOM 1953 OG1 THR A 118 21.150 -1.873 -7.374 1.00 11.20 O ATOM 1954 CG2 THR A 118 20.040 0.220 -7.625 1.00 35.14 C ATOM 0 H THR A 118 19.442 -2.763 -5.550 1.00 1.50 H new ATOM 0 HA THR A 118 17.890 -1.212 -7.556 1.00 41.44 H new ATOM 0 HB THR A 118 19.931 -1.477 -8.981 1.00 60.44 H new ATOM 0 HG1 THR A 118 21.939 -1.467 -7.790 1.00 11.20 H new ATOM 0 HG21 THR A 118 20.945 0.636 -8.067 1.00 35.14 H new ATOM 0 HG22 THR A 118 19.167 0.709 -8.057 1.00 35.14 H new ATOM 0 HG23 THR A 118 20.053 0.387 -6.548 1.00 35.14 H new ATOM 1962 N PHE A 119 17.144 -3.362 -8.414 1.00 31.24 N ATOM 1963 CA PHE A 119 16.614 -4.576 -9.006 1.00 14.10 C ATOM 1964 C PHE A 119 17.217 -4.739 -10.386 1.00 24.24 C ATOM 1965 O PHE A 119 17.114 -3.770 -11.170 1.00 45.33 O ATOM 1966 CB PHE A 119 15.095 -4.453 -9.132 1.00 55.34 C ATOM 1967 CG PHE A 119 14.258 -4.743 -7.909 1.00 20.14 C ATOM 1968 CD1 PHE A 119 14.809 -4.758 -6.613 1.00 5.24 C ATOM 1969 CD2 PHE A 119 12.880 -4.965 -8.085 1.00 65.24 C ATOM 1970 CE1 PHE A 119 13.982 -4.981 -5.504 1.00 75.14 C ATOM 1971 CE2 PHE A 119 12.053 -5.181 -6.974 1.00 2.04 C ATOM 1972 CZ PHE A 119 12.603 -5.200 -5.684 1.00 21.35 C ATOM 0 H PHE A 119 16.500 -2.573 -8.478 1.00 31.24 H new ATOM 0 HA PHE A 119 16.859 -5.437 -8.384 1.00 14.10 H new ATOM 0 HB2 PHE A 119 14.868 -3.439 -9.460 1.00 55.34 H new ATOM 0 HB3 PHE A 119 14.770 -5.125 -9.926 1.00 55.34 H new ATOM 0 HD1 PHE A 119 15.868 -4.598 -6.474 1.00 5.24 H new ATOM 0 HD2 PHE A 119 12.458 -4.969 -9.079 1.00 65.24 H new ATOM 0 HE1 PHE A 119 14.403 -4.985 -4.510 1.00 75.14 H new ATOM 0 HE2 PHE A 119 10.993 -5.333 -7.111 1.00 2.04 H new ATOM 0 HZ PHE A 119 11.969 -5.383 -4.829 1.00 21.35 H new ATOM 2101 N PHE B 178 -8.804 -1.696 3.530 1.00 61.45 N ATOM 2102 CA PHE B 178 -7.508 -1.046 3.424 1.00 53.13 C ATOM 2103 C PHE B 178 -6.802 -1.136 4.779 1.00 64.14 C ATOM 2104 O PHE B 178 -7.373 -1.620 5.753 1.00 54.04 O ATOM 2105 CB PHE B 178 -7.712 0.432 3.048 1.00 62.11 C ATOM 2106 CG PHE B 178 -8.297 0.736 1.682 1.00 63.42 C ATOM 2107 CD1 PHE B 178 -9.691 0.708 1.487 1.00 33.33 C ATOM 2108 CD2 PHE B 178 -7.457 1.161 0.631 1.00 34.22 C ATOM 2109 CE1 PHE B 178 -10.237 1.086 0.248 1.00 33.24 C ATOM 2110 CE2 PHE B 178 -8.008 1.541 -0.606 1.00 25.13 C ATOM 2111 CZ PHE B 178 -9.400 1.504 -0.798 1.00 35.53 C ATOM 0 HA PHE B 178 -6.904 -1.534 2.658 1.00 53.13 H new ATOM 0 HB2 PHE B 178 -8.361 0.883 3.799 1.00 62.11 H new ATOM 0 HB3 PHE B 178 -6.746 0.933 3.119 1.00 62.11 H new ATOM 0 HD1 PHE B 178 -10.342 0.396 2.290 1.00 33.33 H new ATOM 0 HD2 PHE B 178 -6.387 1.195 0.777 1.00 34.22 H new ATOM 0 HE1 PHE B 178 -11.306 1.055 0.100 1.00 33.24 H new ATOM 0 HE2 PHE B 178 -7.361 1.862 -1.409 1.00 25.13 H new ATOM 0 HZ PHE B 178 -9.824 1.796 -1.747 1.00 35.53 H new ATOM 2121 N VAL B 179 -5.562 -0.649 4.826 1.00 14.21 N ATOM 2122 CA VAL B 179 -4.731 -0.580 6.015 1.00 35.44 C ATOM 2123 C VAL B 179 -4.323 0.883 6.083 1.00 11.35 C ATOM 2124 O VAL B 179 -3.468 1.362 5.335 1.00 3.12 O ATOM 2125 CB VAL B 179 -3.541 -1.546 5.944 1.00 51.15 C ATOM 2126 CG1 VAL B 179 -2.696 -1.469 7.220 1.00 74.33 C ATOM 2127 CG2 VAL B 179 -4.029 -2.982 5.800 1.00 11.40 C ATOM 0 H VAL B 179 -5.095 -0.278 3.999 1.00 14.21 H new ATOM 0 HA VAL B 179 -5.251 -0.895 6.920 1.00 35.44 H new ATOM 0 HB VAL B 179 -2.942 -1.257 5.081 1.00 51.15 H new ATOM 0 HG11 VAL B 179 -1.859 -2.163 7.145 1.00 74.33 H new ATOM 0 HG12 VAL B 179 -2.316 -0.455 7.344 1.00 74.33 H new ATOM 0 HG13 VAL B 179 -3.311 -1.734 8.080 1.00 74.33 H new ATOM 0 HG21 VAL B 179 -3.172 -3.654 5.751 1.00 11.40 H new ATOM 0 HG22 VAL B 179 -4.647 -3.244 6.659 1.00 11.40 H new ATOM 0 HG23 VAL B 179 -4.617 -3.077 4.887 1.00 11.40 H new ATOM 2137 N GLU B 180 -4.953 1.627 6.973 1.00 53.34 N ATOM 2138 CA GLU B 180 -4.682 3.036 7.130 1.00 12.23 C ATOM 2139 C GLU B 180 -3.358 3.267 7.861 1.00 31.20 C ATOM 2140 O GLU B 180 -2.888 2.417 8.625 1.00 11.13 O ATOM 2141 CB GLU B 180 -5.856 3.724 7.827 1.00 2.42 C ATOM 2142 CG GLU B 180 -7.236 3.440 7.210 1.00 43.12 C ATOM 2143 CD GLU B 180 -7.992 2.288 7.876 1.00 55.43 C ATOM 2144 OE1 GLU B 180 -7.489 1.149 7.895 1.00 74.24 O ATOM 2145 OE2 GLU B 180 -9.111 2.538 8.381 1.00 20.20 O ATOM 0 H GLU B 180 -5.667 1.267 7.606 1.00 53.34 H new ATOM 0 HA GLU B 180 -4.574 3.485 6.143 1.00 12.23 H new ATOM 0 HB2 GLU B 180 -5.871 3.414 8.872 1.00 2.42 H new ATOM 0 HB3 GLU B 180 -5.685 4.800 7.817 1.00 2.42 H new ATOM 0 HG2 GLU B 180 -7.843 4.343 7.272 1.00 43.12 H new ATOM 0 HG3 GLU B 180 -7.109 3.214 6.151 1.00 43.12 H new ATOM 2152 N ILE B 181 -2.747 4.426 7.624 1.00 60.31 N ATOM 2153 CA ILE B 181 -1.493 4.797 8.253 1.00 22.41 C ATOM 2154 C ILE B 181 -1.755 5.268 9.684 1.00 64.33 C ATOM 2155 O ILE B 181 -2.585 6.144 9.931 1.00 34.12 O ATOM 2156 CB ILE B 181 -0.751 5.833 7.373 1.00 0.50 C ATOM 2157 CG1 ILE B 181 0.267 5.050 6.512 1.00 52.31 C ATOM 2158 CG2 ILE B 181 -0.126 7.008 8.145 1.00 42.31 C ATOM 2159 CD1 ILE B 181 1.276 5.912 5.748 1.00 14.40 C ATOM 0 H ILE B 181 -3.114 5.133 6.987 1.00 60.31 H new ATOM 0 HA ILE B 181 -0.829 3.936 8.332 1.00 22.41 H new ATOM 0 HB ILE B 181 -1.476 6.343 6.738 1.00 0.50 H new ATOM 0 HG12 ILE B 181 0.815 4.365 7.159 1.00 52.31 H new ATOM 0 HG13 ILE B 181 -0.282 4.440 5.795 1.00 52.31 H new ATOM 0 HG21 ILE B 181 0.371 7.680 7.445 1.00 42.31 H new ATOM 0 HG22 ILE B 181 -0.908 7.551 8.676 1.00 42.31 H new ATOM 0 HG23 ILE B 181 0.602 6.627 8.861 1.00 42.31 H new ATOM 0 HD11 ILE B 181 1.944 5.269 5.176 1.00 14.40 H new ATOM 0 HD12 ILE B 181 0.744 6.579 5.069 1.00 14.40 H new ATOM 0 HD13 ILE B 181 1.858 6.503 6.455 1.00 14.40 H new ATOM 2171 N ARG B 182 -1.031 4.647 10.614 1.00 13.22 N ATOM 2172 CA ARG B 182 -1.072 4.932 12.040 1.00 51.42 C ATOM 2173 C ARG B 182 -0.102 6.069 12.329 1.00 42.11 C ATOM 2174 O ARG B 182 0.857 6.275 11.584 1.00 31.30 O ATOM 2175 CB ARG B 182 -0.568 3.702 12.811 1.00 20.30 C ATOM 2176 CG ARG B 182 -1.482 2.476 12.708 1.00 31.33 C ATOM 2177 CD ARG B 182 -2.789 2.613 13.508 1.00 64.24 C ATOM 2178 NE ARG B 182 -2.568 2.866 14.944 1.00 44.33 N ATOM 2179 CZ ARG B 182 -2.009 2.029 15.827 1.00 52.41 C ATOM 2180 NH1 ARG B 182 -1.617 0.813 15.469 1.00 1.43 N ATOM 2181 NH2 ARG B 182 -1.832 2.410 17.081 1.00 21.45 N ATOM 0 H ARG B 182 -0.374 3.902 10.381 1.00 13.22 H new ATOM 0 HA ARG B 182 -2.090 5.187 12.336 1.00 51.42 H new ATOM 0 HB2 ARG B 182 0.422 3.435 12.440 1.00 20.30 H new ATOM 0 HB3 ARG B 182 -0.453 3.968 13.862 1.00 20.30 H new ATOM 0 HG2 ARG B 182 -1.724 2.301 11.660 1.00 31.33 H new ATOM 0 HG3 ARG B 182 -0.940 1.599 13.061 1.00 31.33 H new ATOM 0 HD2 ARG B 182 -3.380 3.427 13.089 1.00 64.24 H new ATOM 0 HD3 ARG B 182 -3.375 1.701 13.392 1.00 64.24 H new ATOM 0 HE ARG B 182 -2.872 3.772 15.301 1.00 44.33 H new ATOM 0 HH11 ARG B 182 -1.739 0.501 14.506 1.00 1.43 H new ATOM 0 HH12 ARG B 182 -1.193 0.191 16.157 1.00 1.43 H new ATOM 0 HH21 ARG B 182 -2.121 3.342 17.376 1.00 21.45 H new ATOM 0 HH22 ARG B 182 -1.406 1.771 17.753 1.00 21.45 H new