USER MOD reduce.3.24.130724 H: found=0, std=0, add=802, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 802 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 67 ASN :FLIP amide:sc= 0.0127 F(o=-2.4,f=-0.22) USER MOD Set 1.2: A 70 THR OG1 : rot -70:sc= -0.234 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 CYS SG : rot -114:sc= -0.639! USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 17 MET CE :methyl -138:sc= -3.09! (180deg=-6.75!) USER MOD Single : A 20 THR OG1 : rot 82:sc= 1.21 USER MOD Single : A 22 MET CE :methyl -156:sc= -0.35 (180deg=-0.599) USER MOD Single : A 24 THR OG1 : rot -10:sc= 1.04 USER MOD Single : A 25 HIS : no HD1:sc= -1.15 X(o=-1.1,f=-0.66) USER MOD Single : A 36 ASN : amide:sc= -2.61! C(o=-2.6!,f=-5.5!) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ -138:sc= 0 (180deg=-0.062) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 MET CE :methyl 145:sc= -0.0425 (180deg=-1.62) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 64 GLN : amide:sc= -0.0203 K(o=-0.02,f=-1.2) USER MOD Single : A 65 TYR OH : rot -16:sc= 1.09 USER MOD Single : A 81 ASN : amide:sc= -4.1! C(o=-4.1!,f=-11!) USER MOD Single : A 82 CYS SG : rot 180:sc= -2.76! USER MOD Single : A 84 THR OG1 : rot 180:sc= 0 USER MOD Single : A 86 ASN : amide:sc= -2.67 X(o=-2.7,f=-2.4) USER MOD Single : A 90 SER OG : rot 120:sc= 0.529 USER MOD Single : A 97 HIS : no HD1:sc= -0.236 X(o=-0.24,f=0) USER MOD Single : A 98 ASN : amide:sc= 0.686 K(o=0.69,f=-4.1!) USER MOD Single : A 99 MET CE :methyl 139:sc= -1.01 (180deg=-4.84!) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 TYR OH : rot 180:sc= 0 USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 THR OG1 : rot 180:sc= 0 USER MOD Single : A 110 THR OG1 : rot 59:sc= 0.00444 USER MOD ----------------------------------------------------------------- ATOM 89 N LYS A 10 -2.432 18.218 10.456 1.00 0.00 N ATOM 90 CA LYS A 10 -3.811 17.950 10.065 1.00 0.00 C ATOM 91 C LYS A 10 -3.864 17.190 8.744 1.00 0.00 C ATOM 92 O LYS A 10 -4.459 16.115 8.659 1.00 0.00 O ATOM 93 CB LYS A 10 -4.591 19.261 9.943 1.00 0.00 C ATOM 94 CG LYS A 10 -6.096 19.067 9.863 1.00 0.00 C ATOM 95 CD LYS A 10 -6.767 20.214 9.126 1.00 0.00 C ATOM 96 CE LYS A 10 -8.281 20.147 9.251 1.00 0.00 C ATOM 97 NZ LYS A 10 -8.759 20.742 10.530 1.00 0.00 N ATOM 0 HA LYS A 10 -4.268 17.332 10.838 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -4.359 19.893 10.800 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -4.254 19.794 9.054 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -6.316 18.128 9.355 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -6.508 18.989 10.869 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -6.410 21.163 9.525 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -6.486 20.185 8.073 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -8.738 20.673 8.413 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -8.605 19.108 9.190 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -9.796 20.677 10.577 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -8.343 20.225 11.330 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -8.472 21.741 10.577 1.00 0.00 H new ATOM 111 N ASP A 11 -3.238 17.753 7.717 1.00 0.00 N ATOM 112 CA ASP A 11 -3.212 17.126 6.400 1.00 0.00 C ATOM 113 C ASP A 11 -2.701 15.692 6.491 1.00 0.00 C ATOM 114 O ASP A 11 -3.302 14.771 5.936 1.00 0.00 O ATOM 115 CB ASP A 11 -2.333 17.934 5.445 1.00 0.00 C ATOM 116 CG ASP A 11 -1.065 18.436 6.108 1.00 0.00 C ATOM 117 OD1 ASP A 11 -0.129 17.629 6.285 1.00 0.00 O ATOM 118 OD2 ASP A 11 -1.010 19.636 6.449 1.00 0.00 O ATOM 0 H ASP A 11 -2.742 18.642 7.770 1.00 0.00 H new ATOM 0 HA ASP A 11 -4.231 17.105 6.014 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -2.070 17.315 4.587 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -2.901 18.783 5.064 1.00 0.00 H new ATOM 123 N LEU A 12 -1.589 15.509 7.194 1.00 0.00 N ATOM 124 CA LEU A 12 -0.995 14.186 7.357 1.00 0.00 C ATOM 125 C LEU A 12 -1.955 13.244 8.078 1.00 0.00 C ATOM 126 O LEU A 12 -2.153 12.105 7.658 1.00 0.00 O ATOM 127 CB LEU A 12 0.318 14.287 8.134 1.00 0.00 C ATOM 128 CG LEU A 12 1.562 14.622 7.309 1.00 0.00 C ATOM 129 CD1 LEU A 12 2.781 14.752 8.209 1.00 0.00 C ATOM 130 CD2 LEU A 12 1.795 13.563 6.241 1.00 0.00 C ATOM 0 H LEU A 12 -1.080 16.260 7.661 1.00 0.00 H new ATOM 0 HA LEU A 12 -0.793 13.781 6.366 1.00 0.00 H new ATOM 0 HB2 LEU A 12 0.203 15.048 8.906 1.00 0.00 H new ATOM 0 HB3 LEU A 12 0.489 13.339 8.644 1.00 0.00 H new ATOM 0 HG LEU A 12 1.399 15.579 6.814 1.00 0.00 H new ATOM 0 HD11 LEU A 12 3.656 14.990 7.604 1.00 0.00 H new ATOM 0 HD12 LEU A 12 2.614 15.548 8.935 1.00 0.00 H new ATOM 0 HD13 LEU A 12 2.948 13.811 8.734 1.00 0.00 H new ATOM 0 HD21 LEU A 12 2.684 13.818 5.664 1.00 0.00 H new ATOM 0 HD22 LEU A 12 1.937 12.592 6.716 1.00 0.00 H new ATOM 0 HD23 LEU A 12 0.932 13.520 5.577 1.00 0.00 H new ATOM 142 N ALA A 13 -2.548 13.730 9.163 1.00 0.00 N ATOM 143 CA ALA A 13 -3.490 12.933 9.940 1.00 0.00 C ATOM 144 C ALA A 13 -4.474 12.205 9.030 1.00 0.00 C ATOM 145 O ALA A 13 -4.804 11.041 9.261 1.00 0.00 O ATOM 146 CB ALA A 13 -4.236 13.815 10.930 1.00 0.00 C ATOM 0 H ALA A 13 -2.393 14.671 9.524 1.00 0.00 H new ATOM 0 HA ALA A 13 -2.924 12.183 10.493 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -4.936 13.207 11.503 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -3.523 14.284 11.608 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -4.784 14.586 10.389 1.00 0.00 H new ATOM 152 N LEU A 14 -4.940 12.897 7.997 1.00 0.00 N ATOM 153 CA LEU A 14 -5.887 12.316 7.052 1.00 0.00 C ATOM 154 C LEU A 14 -5.283 11.105 6.349 1.00 0.00 C ATOM 155 O LEU A 14 -5.950 10.087 6.160 1.00 0.00 O ATOM 156 CB LEU A 14 -6.312 13.361 6.018 1.00 0.00 C ATOM 157 CG LEU A 14 -7.386 14.352 6.467 1.00 0.00 C ATOM 158 CD1 LEU A 14 -7.380 15.585 5.577 1.00 0.00 C ATOM 159 CD2 LEU A 14 -8.757 13.692 6.458 1.00 0.00 C ATOM 0 H LEU A 14 -4.678 13.861 7.792 1.00 0.00 H new ATOM 0 HA LEU A 14 -6.764 11.988 7.610 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -5.429 13.925 5.717 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -6.675 12.840 5.132 1.00 0.00 H new ATOM 0 HG LEU A 14 -7.162 14.665 7.487 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -8.151 16.279 5.912 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -6.406 16.070 5.634 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -7.579 15.291 4.547 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -9.509 14.412 6.780 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -8.990 13.351 5.449 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -8.755 12.840 7.138 1.00 0.00 H new ATOM 171 N CYS A 15 -4.016 11.221 5.967 1.00 0.00 N ATOM 172 CA CYS A 15 -3.320 10.134 5.286 1.00 0.00 C ATOM 173 C CYS A 15 -3.379 8.851 6.109 1.00 0.00 C ATOM 174 O CYS A 15 -3.521 7.758 5.563 1.00 0.00 O ATOM 175 CB CYS A 15 -1.864 10.519 5.023 1.00 0.00 C ATOM 176 SG CYS A 15 -1.649 11.735 3.702 1.00 0.00 S ATOM 0 H CYS A 15 -3.450 12.056 6.117 1.00 0.00 H new ATOM 0 HA CYS A 15 -3.819 9.956 4.333 1.00 0.00 H new ATOM 0 HB2 CYS A 15 -1.433 10.917 5.942 1.00 0.00 H new ATOM 0 HB3 CYS A 15 -1.302 9.620 4.770 1.00 0.00 H new ATOM 0 HG CYS A 15 -1.021 11.186 2.705 1.00 0.00 H new ATOM 182 N SER A 16 -3.267 8.994 7.426 1.00 0.00 N ATOM 183 CA SER A 16 -3.302 7.846 8.324 1.00 0.00 C ATOM 184 C SER A 16 -4.669 7.170 8.290 1.00 0.00 C ATOM 185 O SER A 16 -4.771 5.946 8.363 1.00 0.00 O ATOM 186 CB SER A 16 -2.970 8.279 9.754 1.00 0.00 C ATOM 187 OG SER A 16 -3.029 7.181 10.647 1.00 0.00 O ATOM 0 H SER A 16 -3.151 9.893 7.894 1.00 0.00 H new ATOM 0 HA SER A 16 -2.553 7.130 7.986 1.00 0.00 H new ATOM 0 HB2 SER A 16 -1.974 8.721 9.781 1.00 0.00 H new ATOM 0 HB3 SER A 16 -3.670 9.051 10.075 1.00 0.00 H new ATOM 0 HG SER A 16 -2.811 7.484 11.553 1.00 0.00 H new ATOM 193 N MET A 17 -5.719 7.978 8.179 1.00 0.00 N ATOM 194 CA MET A 17 -7.081 7.459 8.134 1.00 0.00 C ATOM 195 C MET A 17 -7.301 6.619 6.879 1.00 0.00 C ATOM 196 O MET A 17 -7.469 5.402 6.958 1.00 0.00 O ATOM 197 CB MET A 17 -8.089 8.609 8.176 1.00 0.00 C ATOM 198 CG MET A 17 -7.800 9.631 9.262 1.00 0.00 C ATOM 199 SD MET A 17 -9.278 10.513 9.798 1.00 0.00 S ATOM 200 CE MET A 17 -9.909 11.101 8.228 1.00 0.00 C ATOM 0 H MET A 17 -5.652 8.994 8.119 1.00 0.00 H new ATOM 0 HA MET A 17 -7.231 6.823 9.006 1.00 0.00 H new ATOM 0 HB2 MET A 17 -8.095 9.111 7.209 1.00 0.00 H new ATOM 0 HB3 MET A 17 -9.088 8.200 8.330 1.00 0.00 H new ATOM 0 HG2 MET A 17 -7.351 9.128 10.119 1.00 0.00 H new ATOM 0 HG3 MET A 17 -7.067 10.349 8.894 1.00 0.00 H new ATOM 0 HE1 MET A 17 -10.254 12.129 8.337 1.00 0.00 H new ATOM 0 HE2 MET A 17 -9.117 11.061 7.480 1.00 0.00 H new ATOM 0 HE3 MET A 17 -10.740 10.471 7.911 1.00 0.00 H new ATOM 210 N ILE A 18 -7.299 7.277 5.725 1.00 0.00 N ATOM 211 CA ILE A 18 -7.499 6.590 4.455 1.00 0.00 C ATOM 212 C ILE A 18 -6.725 5.276 4.413 1.00 0.00 C ATOM 213 O ILE A 18 -7.295 4.216 4.154 1.00 0.00 O ATOM 214 CB ILE A 18 -7.063 7.467 3.266 1.00 0.00 C ATOM 215 CG1 ILE A 18 -7.860 8.773 3.249 1.00 0.00 C ATOM 216 CG2 ILE A 18 -7.243 6.713 1.957 1.00 0.00 C ATOM 217 CD1 ILE A 18 -7.173 9.891 2.496 1.00 0.00 C ATOM 0 H ILE A 18 -7.161 8.284 5.643 1.00 0.00 H new ATOM 0 HA ILE A 18 -8.566 6.384 4.372 1.00 0.00 H new ATOM 0 HB ILE A 18 -6.006 7.709 3.380 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -8.835 8.588 2.798 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -8.039 9.093 4.275 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -6.931 7.346 1.127 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -6.636 5.808 1.972 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -8.292 6.444 1.833 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -7.795 10.786 2.525 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -6.210 10.104 2.960 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -7.019 9.590 1.460 1.00 0.00 H new ATOM 229 N LEU A 19 -5.424 5.354 4.671 1.00 0.00 N ATOM 230 CA LEU A 19 -4.571 4.171 4.665 1.00 0.00 C ATOM 231 C LEU A 19 -5.181 3.055 5.508 1.00 0.00 C ATOM 232 O LEU A 19 -5.276 1.909 5.068 1.00 0.00 O ATOM 233 CB LEU A 19 -3.178 4.519 5.191 1.00 0.00 C ATOM 234 CG LEU A 19 -2.153 3.384 5.182 1.00 0.00 C ATOM 235 CD1 LEU A 19 -1.734 3.056 3.757 1.00 0.00 C ATOM 236 CD2 LEU A 19 -0.941 3.753 6.025 1.00 0.00 C ATOM 0 H LEU A 19 -4.937 6.224 4.887 1.00 0.00 H new ATOM 0 HA LEU A 19 -4.487 3.820 3.636 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -2.783 5.343 4.597 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -3.278 4.883 6.214 1.00 0.00 H new ATOM 0 HG LEU A 19 -2.616 2.498 5.616 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -1.004 2.246 3.770 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -2.608 2.748 3.183 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -1.289 3.938 3.296 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -0.222 2.934 6.007 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -0.476 4.652 5.620 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -1.255 3.938 7.052 1.00 0.00 H new ATOM 248 N THR A 20 -5.596 3.399 6.724 1.00 0.00 N ATOM 249 CA THR A 20 -6.198 2.428 7.629 1.00 0.00 C ATOM 250 C THR A 20 -7.301 1.638 6.933 1.00 0.00 C ATOM 251 O THR A 20 -7.219 0.417 6.810 1.00 0.00 O ATOM 252 CB THR A 20 -6.783 3.112 8.879 1.00 0.00 C ATOM 253 OG1 THR A 20 -5.733 3.715 9.644 1.00 0.00 O ATOM 254 CG2 THR A 20 -7.535 2.110 9.742 1.00 0.00 C ATOM 0 H THR A 20 -5.526 4.343 7.104 1.00 0.00 H new ATOM 0 HA THR A 20 -5.404 1.747 7.935 1.00 0.00 H new ATOM 0 HB THR A 20 -7.482 3.882 8.552 1.00 0.00 H new ATOM 0 HG1 THR A 20 -5.509 4.588 9.260 1.00 0.00 H new ATOM 0 HG21 THR A 20 -7.939 2.616 10.619 1.00 0.00 H new ATOM 0 HG22 THR A 20 -8.351 1.674 9.166 1.00 0.00 H new ATOM 0 HG23 THR A 20 -6.854 1.321 10.060 1.00 0.00 H new ATOM 262 N GLU A 21 -8.332 2.344 6.479 1.00 0.00 N ATOM 263 CA GLU A 21 -9.451 1.707 5.795 1.00 0.00 C ATOM 264 C GLU A 21 -8.955 0.733 4.730 1.00 0.00 C ATOM 265 O GLU A 21 -9.417 -0.405 4.651 1.00 0.00 O ATOM 266 CB GLU A 21 -10.355 2.763 5.155 1.00 0.00 C ATOM 267 CG GLU A 21 -10.754 3.879 6.105 1.00 0.00 C ATOM 268 CD GLU A 21 -12.111 4.469 5.774 1.00 0.00 C ATOM 269 OE1 GLU A 21 -12.321 4.853 4.604 1.00 0.00 O ATOM 270 OE2 GLU A 21 -12.963 4.548 6.684 1.00 0.00 O ATOM 0 H GLU A 21 -8.415 3.356 6.572 1.00 0.00 H new ATOM 0 HA GLU A 21 -10.025 1.148 6.535 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -9.843 3.195 4.295 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -11.256 2.278 4.779 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -10.768 3.495 7.125 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -10.001 4.667 6.071 1.00 0.00 H new ATOM 277 N MET A 22 -8.012 1.189 3.913 1.00 0.00 N ATOM 278 CA MET A 22 -7.452 0.358 2.853 1.00 0.00 C ATOM 279 C MET A 22 -6.743 -0.860 3.435 1.00 0.00 C ATOM 280 O MET A 22 -6.856 -1.966 2.906 1.00 0.00 O ATOM 281 CB MET A 22 -6.477 1.171 1.999 1.00 0.00 C ATOM 282 CG MET A 22 -7.144 2.283 1.207 1.00 0.00 C ATOM 283 SD MET A 22 -6.235 2.711 -0.291 1.00 0.00 S ATOM 284 CE MET A 22 -4.613 3.054 0.385 1.00 0.00 C ATOM 0 H MET A 22 -7.619 2.129 3.964 1.00 0.00 H new ATOM 0 HA MET A 22 -8.273 0.013 2.224 1.00 0.00 H new ATOM 0 HB2 MET A 22 -5.714 1.604 2.646 1.00 0.00 H new ATOM 0 HB3 MET A 22 -5.966 0.501 1.308 1.00 0.00 H new ATOM 0 HG2 MET A 22 -8.155 1.977 0.939 1.00 0.00 H new ATOM 0 HG3 MET A 22 -7.236 3.168 1.837 1.00 0.00 H new ATOM 0 HE1 MET A 22 -4.071 3.717 -0.289 1.00 0.00 H new ATOM 0 HE2 MET A 22 -4.718 3.533 1.358 1.00 0.00 H new ATOM 0 HE3 MET A 22 -4.061 2.121 0.498 1.00 0.00 H new ATOM 294 N GLU A 23 -6.012 -0.650 4.525 1.00 0.00 N ATOM 295 CA GLU A 23 -5.284 -1.733 5.176 1.00 0.00 C ATOM 296 C GLU A 23 -6.243 -2.809 5.676 1.00 0.00 C ATOM 297 O GLU A 23 -5.826 -3.914 6.028 1.00 0.00 O ATOM 298 CB GLU A 23 -4.455 -1.190 6.343 1.00 0.00 C ATOM 299 CG GLU A 23 -3.246 -0.381 5.906 1.00 0.00 C ATOM 300 CD GLU A 23 -2.266 -0.139 7.038 1.00 0.00 C ATOM 301 OE1 GLU A 23 -2.413 0.880 7.743 1.00 0.00 O ATOM 302 OE2 GLU A 23 -1.352 -0.971 7.218 1.00 0.00 O ATOM 0 H GLU A 23 -5.908 0.259 4.976 1.00 0.00 H new ATOM 0 HA GLU A 23 -4.615 -2.181 4.441 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -5.092 -0.566 6.971 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -4.120 -2.025 6.959 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -2.738 -0.903 5.096 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -3.579 0.577 5.508 1.00 0.00 H new ATOM 309 N THR A 24 -7.530 -2.480 5.706 1.00 0.00 N ATOM 310 CA THR A 24 -8.549 -3.416 6.164 1.00 0.00 C ATOM 311 C THR A 24 -9.379 -3.939 4.998 1.00 0.00 C ATOM 312 O THR A 24 -10.561 -4.248 5.153 1.00 0.00 O ATOM 313 CB THR A 24 -9.488 -2.764 7.197 1.00 0.00 C ATOM 314 OG1 THR A 24 -10.201 -1.678 6.594 1.00 0.00 O ATOM 315 CG2 THR A 24 -8.703 -2.258 8.397 1.00 0.00 C ATOM 0 H THR A 24 -7.892 -1.571 5.418 1.00 0.00 H new ATOM 0 HA THR A 24 -8.025 -4.248 6.635 1.00 0.00 H new ATOM 0 HB THR A 24 -10.197 -3.518 7.538 1.00 0.00 H new ATOM 0 HG1 THR A 24 -9.821 -1.487 5.711 1.00 0.00 H new ATOM 0 HG21 THR A 24 -9.387 -1.802 9.113 1.00 0.00 H new ATOM 0 HG22 THR A 24 -8.185 -3.092 8.871 1.00 0.00 H new ATOM 0 HG23 THR A 24 -7.974 -1.517 8.069 1.00 0.00 H new ATOM 323 N HIS A 25 -8.754 -4.037 3.829 1.00 0.00 N ATOM 324 CA HIS A 25 -9.436 -4.524 2.635 1.00 0.00 C ATOM 325 C HIS A 25 -9.063 -5.976 2.351 1.00 0.00 C ATOM 326 O HIS A 25 -7.933 -6.395 2.597 1.00 0.00 O ATOM 327 CB HIS A 25 -9.088 -3.650 1.430 1.00 0.00 C ATOM 328 CG HIS A 25 -10.181 -3.574 0.409 1.00 0.00 C ATOM 329 ND1 HIS A 25 -10.087 -4.154 -0.839 1.00 0.00 N ATOM 330 CD2 HIS A 25 -11.397 -2.983 0.457 1.00 0.00 C ATOM 331 CE1 HIS A 25 -11.198 -3.921 -1.515 1.00 0.00 C ATOM 332 NE2 HIS A 25 -12.010 -3.213 -0.751 1.00 0.00 N ATOM 0 H HIS A 25 -7.776 -3.786 3.683 1.00 0.00 H new ATOM 0 HA HIS A 25 -10.510 -4.471 2.813 1.00 0.00 H new ATOM 0 HB2 HIS A 25 -8.856 -2.643 1.777 1.00 0.00 H new ATOM 0 HB3 HIS A 25 -8.187 -4.040 0.957 1.00 0.00 H new ATOM 0 HD2 HIS A 25 -11.809 -2.433 1.290 1.00 0.00 H new ATOM 0 HE1 HIS A 25 -11.407 -4.253 -2.521 1.00 0.00 H new ATOM 0 HE2 HIS A 25 -12.941 -2.890 -1.015 1.00 0.00 H new ATOM 340 N GLU A 26 -10.022 -6.738 1.833 1.00 0.00 N ATOM 341 CA GLU A 26 -9.793 -8.143 1.517 1.00 0.00 C ATOM 342 C GLU A 26 -8.736 -8.291 0.426 1.00 0.00 C ATOM 343 O GLU A 26 -8.282 -9.396 0.133 1.00 0.00 O ATOM 344 CB GLU A 26 -11.098 -8.807 1.072 1.00 0.00 C ATOM 345 CG GLU A 26 -11.723 -8.161 -0.152 1.00 0.00 C ATOM 346 CD GLU A 26 -13.113 -8.691 -0.446 1.00 0.00 C ATOM 347 OE1 GLU A 26 -13.967 -8.654 0.465 1.00 0.00 O ATOM 348 OE2 GLU A 26 -13.347 -9.144 -1.586 1.00 0.00 O ATOM 0 H GLU A 26 -10.964 -6.406 1.624 1.00 0.00 H new ATOM 0 HA GLU A 26 -9.431 -8.637 2.418 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -10.906 -9.859 0.859 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -11.812 -8.773 1.895 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -11.774 -7.082 -0.003 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -11.082 -8.334 -1.017 1.00 0.00 H new ATOM 355 N ASP A 27 -8.350 -7.168 -0.170 1.00 0.00 N ATOM 356 CA ASP A 27 -7.347 -7.171 -1.229 1.00 0.00 C ATOM 357 C ASP A 27 -6.264 -6.133 -0.954 1.00 0.00 C ATOM 358 O ASP A 27 -5.679 -5.572 -1.879 1.00 0.00 O ATOM 359 CB ASP A 27 -8.002 -6.897 -2.583 1.00 0.00 C ATOM 360 CG ASP A 27 -8.470 -8.166 -3.268 1.00 0.00 C ATOM 361 OD1 ASP A 27 -7.996 -9.256 -2.885 1.00 0.00 O ATOM 362 OD2 ASP A 27 -9.311 -8.069 -4.185 1.00 0.00 O ATOM 0 H ASP A 27 -8.716 -6.245 0.062 1.00 0.00 H new ATOM 0 HA ASP A 27 -6.883 -8.157 -1.253 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -8.852 -6.229 -2.444 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -7.292 -6.380 -3.229 1.00 0.00 H new ATOM 367 N ALA A 28 -6.003 -5.881 0.325 1.00 0.00 N ATOM 368 CA ALA A 28 -4.991 -4.911 0.722 1.00 0.00 C ATOM 369 C ALA A 28 -3.859 -5.582 1.492 1.00 0.00 C ATOM 370 O ALA A 28 -2.893 -4.930 1.887 1.00 0.00 O ATOM 371 CB ALA A 28 -5.618 -3.806 1.559 1.00 0.00 C ATOM 0 H ALA A 28 -6.479 -6.336 1.104 1.00 0.00 H new ATOM 0 HA ALA A 28 -4.570 -4.472 -0.183 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -4.850 -3.089 1.848 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -6.387 -3.299 0.976 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -6.067 -4.237 2.454 1.00 0.00 H new ATOM 377 N TRP A 29 -3.986 -6.888 1.702 1.00 0.00 N ATOM 378 CA TRP A 29 -2.973 -7.647 2.426 1.00 0.00 C ATOM 379 C TRP A 29 -1.756 -7.909 1.546 1.00 0.00 C ATOM 380 O TRP A 29 -0.624 -8.011 2.019 1.00 0.00 O ATOM 381 CB TRP A 29 -3.556 -8.972 2.920 1.00 0.00 C ATOM 382 CG TRP A 29 -3.869 -9.932 1.813 1.00 0.00 C ATOM 383 CD1 TRP A 29 -5.108 -10.282 1.357 1.00 0.00 C ATOM 384 CD2 TRP A 29 -2.927 -10.668 1.025 1.00 0.00 C ATOM 385 NE1 TRP A 29 -4.993 -11.190 0.333 1.00 0.00 N ATOM 386 CE2 TRP A 29 -3.666 -11.443 0.109 1.00 0.00 C ATOM 387 CE3 TRP A 29 -1.532 -10.746 1.001 1.00 0.00 C ATOM 388 CZ2 TRP A 29 -3.055 -12.284 -0.817 1.00 0.00 C ATOM 389 CZ3 TRP A 29 -0.927 -11.582 0.082 1.00 0.00 C ATOM 390 CH2 TRP A 29 -1.687 -12.341 -0.817 1.00 0.00 C ATOM 0 H TRP A 29 -4.780 -7.442 1.381 1.00 0.00 H new ATOM 0 HA TRP A 29 -2.656 -7.055 3.284 1.00 0.00 H new ATOM 0 HB2 TRP A 29 -2.849 -9.438 3.607 1.00 0.00 H new ATOM 0 HB3 TRP A 29 -4.466 -8.772 3.486 1.00 0.00 H new ATOM 0 HD1 TRP A 29 -6.041 -9.901 1.745 1.00 0.00 H new ATOM 0 HE1 TRP A 29 -5.770 -11.608 -0.178 1.00 0.00 H new ATOM 0 HE3 TRP A 29 -0.937 -10.163 1.689 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 -3.639 -12.871 -1.511 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 0.150 -11.651 0.056 1.00 0.00 H new ATOM 0 HH2 TRP A 29 -1.184 -12.984 -1.524 1.00 0.00 H new ATOM 401 N PRO A 30 -1.990 -8.022 0.230 1.00 0.00 N ATOM 402 CA PRO A 30 -0.844 -8.274 -0.649 1.00 0.00 C ATOM 403 C PRO A 30 0.324 -7.337 -0.361 1.00 0.00 C ATOM 404 O PRO A 30 1.461 -7.609 -0.750 1.00 0.00 O ATOM 405 CB PRO A 30 -1.406 -8.014 -2.048 1.00 0.00 C ATOM 406 CG PRO A 30 -2.868 -8.274 -1.924 1.00 0.00 C ATOM 407 CD PRO A 30 -3.255 -7.932 -0.518 1.00 0.00 C ATOM 0 HA PRO A 30 -0.442 -9.278 -0.517 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -1.212 -6.990 -2.369 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -0.948 -8.672 -2.787 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -3.429 -7.669 -2.637 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -3.094 -9.317 -2.144 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -3.686 -6.933 -0.454 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -4.000 -8.626 -0.129 1.00 0.00 H new ATOM 415 N PHE A 31 0.038 -6.234 0.322 1.00 0.00 N ATOM 416 CA PHE A 31 1.065 -5.257 0.661 1.00 0.00 C ATOM 417 C PHE A 31 1.246 -5.160 2.173 1.00 0.00 C ATOM 418 O PHE A 31 2.347 -4.907 2.664 1.00 0.00 O ATOM 419 CB PHE A 31 0.701 -3.884 0.091 1.00 0.00 C ATOM 420 CG PHE A 31 -0.061 -3.955 -1.201 1.00 0.00 C ATOM 421 CD1 PHE A 31 -1.425 -4.199 -1.203 1.00 0.00 C ATOM 422 CD2 PHE A 31 0.585 -3.776 -2.413 1.00 0.00 C ATOM 423 CE1 PHE A 31 -2.129 -4.266 -2.391 1.00 0.00 C ATOM 424 CE2 PHE A 31 -0.113 -3.841 -3.604 1.00 0.00 C ATOM 425 CZ PHE A 31 -1.473 -4.085 -3.592 1.00 0.00 C ATOM 0 H PHE A 31 -0.897 -5.994 0.652 1.00 0.00 H new ATOM 0 HA PHE A 31 2.005 -5.588 0.221 1.00 0.00 H new ATOM 0 HB2 PHE A 31 0.106 -3.341 0.825 1.00 0.00 H new ATOM 0 HB3 PHE A 31 1.615 -3.311 -0.066 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -1.944 -4.338 -0.266 1.00 0.00 H new ATOM 0 HD2 PHE A 31 1.648 -3.583 -2.428 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -3.191 -4.460 -2.379 1.00 0.00 H new ATOM 0 HE2 PHE A 31 0.403 -3.701 -4.542 1.00 0.00 H new ATOM 0 HZ PHE A 31 -2.022 -4.134 -4.521 1.00 0.00 H new ATOM 435 N LEU A 32 0.158 -5.363 2.907 1.00 0.00 N ATOM 436 CA LEU A 32 0.194 -5.298 4.364 1.00 0.00 C ATOM 437 C LEU A 32 1.546 -5.762 4.896 1.00 0.00 C ATOM 438 O LEU A 32 2.059 -5.220 5.876 1.00 0.00 O ATOM 439 CB LEU A 32 -0.923 -6.157 4.961 1.00 0.00 C ATOM 440 CG LEU A 32 -2.302 -5.502 5.042 1.00 0.00 C ATOM 441 CD1 LEU A 32 -3.324 -6.478 5.603 1.00 0.00 C ATOM 442 CD2 LEU A 32 -2.245 -4.240 5.890 1.00 0.00 C ATOM 0 H LEU A 32 -0.761 -5.574 2.517 1.00 0.00 H new ATOM 0 HA LEU A 32 0.044 -4.260 4.660 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -1.010 -7.068 4.369 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -0.626 -6.457 5.966 1.00 0.00 H new ATOM 0 HG LEU A 32 -2.610 -5.224 4.034 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -4.300 -5.994 5.653 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -3.386 -7.353 4.955 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -3.021 -6.788 6.603 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -3.236 -3.788 5.936 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -1.914 -4.493 6.897 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -1.544 -3.534 5.445 1.00 0.00 H new ATOM 454 N LEU A 33 2.120 -6.766 4.243 1.00 0.00 N ATOM 455 CA LEU A 33 3.415 -7.302 4.648 1.00 0.00 C ATOM 456 C LEU A 33 4.468 -7.053 3.573 1.00 0.00 C ATOM 457 O LEU A 33 4.190 -7.097 2.374 1.00 0.00 O ATOM 458 CB LEU A 33 3.303 -8.801 4.931 1.00 0.00 C ATOM 459 CG LEU A 33 2.648 -9.187 6.257 1.00 0.00 C ATOM 460 CD1 LEU A 33 2.341 -10.676 6.288 1.00 0.00 C ATOM 461 CD2 LEU A 33 3.542 -8.800 7.426 1.00 0.00 C ATOM 0 H LEU A 33 1.709 -7.226 3.430 1.00 0.00 H new ATOM 0 HA LEU A 33 3.724 -6.789 5.559 1.00 0.00 H new ATOM 0 HB2 LEU A 33 2.737 -9.262 4.122 1.00 0.00 H new ATOM 0 HB3 LEU A 33 4.304 -9.231 4.905 1.00 0.00 H new ATOM 0 HG LEU A 33 1.708 -8.642 6.348 1.00 0.00 H new ATOM 0 HD11 LEU A 33 1.875 -10.932 7.240 1.00 0.00 H new ATOM 0 HD12 LEU A 33 1.661 -10.924 5.473 1.00 0.00 H new ATOM 0 HD13 LEU A 33 3.266 -11.241 6.174 1.00 0.00 H new ATOM 0 HD21 LEU A 33 3.060 -9.082 8.362 1.00 0.00 H new ATOM 0 HD22 LEU A 33 4.498 -9.317 7.340 1.00 0.00 H new ATOM 0 HD23 LEU A 33 3.710 -7.723 7.415 1.00 0.00 H new ATOM 473 N PRO A 34 5.708 -6.787 4.009 1.00 0.00 N ATOM 474 CA PRO A 34 6.829 -6.528 3.100 1.00 0.00 C ATOM 475 C PRO A 34 7.259 -7.779 2.340 1.00 0.00 C ATOM 476 O PRO A 34 7.152 -8.894 2.849 1.00 0.00 O ATOM 477 CB PRO A 34 7.946 -6.062 4.037 1.00 0.00 C ATOM 478 CG PRO A 34 7.614 -6.672 5.355 1.00 0.00 C ATOM 479 CD PRO A 34 6.112 -6.718 5.423 1.00 0.00 C ATOM 0 HA PRO A 34 6.570 -5.802 2.330 1.00 0.00 H new ATOM 0 HB2 PRO A 34 8.923 -6.392 3.683 1.00 0.00 H new ATOM 0 HB3 PRO A 34 7.981 -4.974 4.102 1.00 0.00 H new ATOM 0 HG2 PRO A 34 8.039 -7.672 5.441 1.00 0.00 H new ATOM 0 HG3 PRO A 34 8.024 -6.080 6.173 1.00 0.00 H new ATOM 0 HD2 PRO A 34 5.762 -7.585 5.984 1.00 0.00 H new ATOM 0 HD3 PRO A 34 5.705 -5.834 5.915 1.00 0.00 H new ATOM 487 N VAL A 35 7.746 -7.585 1.118 1.00 0.00 N ATOM 488 CA VAL A 35 8.194 -8.697 0.289 1.00 0.00 C ATOM 489 C VAL A 35 9.665 -9.010 0.536 1.00 0.00 C ATOM 490 O VAL A 35 10.507 -8.113 0.548 1.00 0.00 O ATOM 491 CB VAL A 35 7.989 -8.398 -1.208 1.00 0.00 C ATOM 492 CG1 VAL A 35 8.611 -7.060 -1.576 1.00 0.00 C ATOM 493 CG2 VAL A 35 8.570 -9.518 -2.059 1.00 0.00 C ATOM 0 H VAL A 35 7.840 -6.668 0.681 1.00 0.00 H new ATOM 0 HA VAL A 35 7.591 -9.561 0.566 1.00 0.00 H new ATOM 0 HB VAL A 35 6.919 -8.340 -1.406 1.00 0.00 H new ATOM 0 HG11 VAL A 35 8.456 -6.866 -2.637 1.00 0.00 H new ATOM 0 HG12 VAL A 35 8.144 -6.268 -0.991 1.00 0.00 H new ATOM 0 HG13 VAL A 35 9.680 -7.085 -1.364 1.00 0.00 H new ATOM 0 HG21 VAL A 35 8.416 -9.291 -3.114 1.00 0.00 H new ATOM 0 HG22 VAL A 35 9.638 -9.610 -1.859 1.00 0.00 H new ATOM 0 HG23 VAL A 35 8.073 -10.456 -1.814 1.00 0.00 H new ATOM 503 N ASN A 36 9.968 -10.289 0.734 1.00 0.00 N ATOM 504 CA ASN A 36 11.339 -10.720 0.981 1.00 0.00 C ATOM 505 C ASN A 36 12.110 -10.860 -0.328 1.00 0.00 C ATOM 506 O ASN A 36 12.028 -11.886 -1.003 1.00 0.00 O ATOM 507 CB ASN A 36 11.348 -12.052 1.736 1.00 0.00 C ATOM 508 CG ASN A 36 12.556 -12.195 2.641 1.00 0.00 C ATOM 509 OD1 ASN A 36 13.698 -12.088 2.192 1.00 0.00 O ATOM 510 ND2 ASN A 36 12.310 -12.439 3.922 1.00 0.00 N ATOM 0 H ASN A 36 9.283 -11.045 0.728 1.00 0.00 H new ATOM 0 HA ASN A 36 11.828 -9.960 1.590 1.00 0.00 H new ATOM 0 HB2 ASN A 36 10.439 -12.135 2.332 1.00 0.00 H new ATOM 0 HB3 ASN A 36 11.335 -12.873 1.019 1.00 0.00 H new ATOM 0 HD21 ASN A 36 13.083 -12.546 4.578 1.00 0.00 H new ATOM 0 HD22 ASN A 36 11.348 -12.520 4.250 1.00 0.00 H new ATOM 517 N LEU A 37 12.859 -9.821 -0.680 1.00 0.00 N ATOM 518 CA LEU A 37 13.647 -9.826 -1.907 1.00 0.00 C ATOM 519 C LEU A 37 14.519 -11.075 -1.989 1.00 0.00 C ATOM 520 O LEU A 37 14.838 -11.553 -3.078 1.00 0.00 O ATOM 521 CB LEU A 37 14.521 -8.573 -1.982 1.00 0.00 C ATOM 522 CG LEU A 37 13.816 -7.245 -1.701 1.00 0.00 C ATOM 523 CD1 LEU A 37 14.822 -6.105 -1.662 1.00 0.00 C ATOM 524 CD2 LEU A 37 12.744 -6.979 -2.747 1.00 0.00 C ATOM 0 H LEU A 37 12.937 -8.964 -0.133 1.00 0.00 H new ATOM 0 HA LEU A 37 12.958 -9.830 -2.752 1.00 0.00 H new ATOM 0 HB2 LEU A 37 15.341 -8.683 -1.272 1.00 0.00 H new ATOM 0 HB3 LEU A 37 14.965 -8.523 -2.976 1.00 0.00 H new ATOM 0 HG LEU A 37 13.334 -7.310 -0.725 1.00 0.00 H new ATOM 0 HD11 LEU A 37 14.303 -5.168 -1.461 1.00 0.00 H new ATOM 0 HD12 LEU A 37 15.552 -6.291 -0.875 1.00 0.00 H new ATOM 0 HD13 LEU A 37 15.333 -6.038 -2.622 1.00 0.00 H new ATOM 0 HD21 LEU A 37 12.253 -6.030 -2.531 1.00 0.00 H new ATOM 0 HD22 LEU A 37 13.203 -6.934 -3.735 1.00 0.00 H new ATOM 0 HD23 LEU A 37 12.007 -7.782 -2.725 1.00 0.00 H new ATOM 536 N LYS A 38 14.901 -11.600 -0.830 1.00 0.00 N ATOM 537 CA LYS A 38 15.734 -12.795 -0.768 1.00 0.00 C ATOM 538 C LYS A 38 14.940 -14.033 -1.172 1.00 0.00 C ATOM 539 O LYS A 38 15.457 -14.921 -1.852 1.00 0.00 O ATOM 540 CB LYS A 38 16.299 -12.976 0.642 1.00 0.00 C ATOM 541 CG LYS A 38 17.192 -11.833 1.091 1.00 0.00 C ATOM 542 CD LYS A 38 17.429 -11.866 2.592 1.00 0.00 C ATOM 543 CE LYS A 38 18.570 -10.946 2.997 1.00 0.00 C ATOM 544 NZ LYS A 38 18.150 -9.518 3.018 1.00 0.00 N ATOM 0 H LYS A 38 14.647 -11.216 0.080 1.00 0.00 H new ATOM 0 HA LYS A 38 16.559 -12.669 -1.469 1.00 0.00 H new ATOM 0 HB2 LYS A 38 15.472 -13.078 1.345 1.00 0.00 H new ATOM 0 HB3 LYS A 38 16.866 -13.906 0.680 1.00 0.00 H new ATOM 0 HG2 LYS A 38 18.148 -11.890 0.570 1.00 0.00 H new ATOM 0 HG3 LYS A 38 16.735 -10.883 0.815 1.00 0.00 H new ATOM 0 HD2 LYS A 38 16.518 -11.568 3.112 1.00 0.00 H new ATOM 0 HD3 LYS A 38 17.655 -12.886 2.903 1.00 0.00 H new ATOM 0 HE2 LYS A 38 18.934 -11.232 3.984 1.00 0.00 H new ATOM 0 HE3 LYS A 38 19.401 -11.070 2.302 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 18.956 -8.923 3.299 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 17.826 -9.237 2.070 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 17.374 -9.394 3.700 1.00 0.00 H new ATOM 558 N LEU A 39 13.681 -14.086 -0.751 1.00 0.00 N ATOM 559 CA LEU A 39 12.814 -15.215 -1.070 1.00 0.00 C ATOM 560 C LEU A 39 12.386 -15.176 -2.534 1.00 0.00 C ATOM 561 O LEU A 39 12.636 -16.115 -3.290 1.00 0.00 O ATOM 562 CB LEU A 39 11.580 -15.208 -0.166 1.00 0.00 C ATOM 563 CG LEU A 39 11.848 -15.316 1.335 1.00 0.00 C ATOM 564 CD1 LEU A 39 10.540 -15.323 2.112 1.00 0.00 C ATOM 565 CD2 LEU A 39 12.659 -16.567 1.644 1.00 0.00 C ATOM 0 H LEU A 39 13.238 -13.360 -0.188 1.00 0.00 H new ATOM 0 HA LEU A 39 13.377 -16.133 -0.899 1.00 0.00 H new ATOM 0 HB2 LEU A 39 11.024 -14.289 -0.350 1.00 0.00 H new ATOM 0 HB3 LEU A 39 10.934 -16.035 -0.460 1.00 0.00 H new ATOM 0 HG LEU A 39 12.427 -14.446 1.644 1.00 0.00 H new ATOM 0 HD11 LEU A 39 10.751 -15.400 3.179 1.00 0.00 H new ATOM 0 HD12 LEU A 39 9.995 -14.399 1.916 1.00 0.00 H new ATOM 0 HD13 LEU A 39 9.935 -16.174 1.799 1.00 0.00 H new ATOM 0 HD21 LEU A 39 12.840 -16.627 2.717 1.00 0.00 H new ATOM 0 HD22 LEU A 39 12.106 -17.448 1.319 1.00 0.00 H new ATOM 0 HD23 LEU A 39 13.612 -16.522 1.117 1.00 0.00 H new ATOM 577 N VAL A 40 11.741 -14.083 -2.928 1.00 0.00 N ATOM 578 CA VAL A 40 11.281 -13.919 -4.302 1.00 0.00 C ATOM 579 C VAL A 40 12.456 -13.880 -5.273 1.00 0.00 C ATOM 580 O VAL A 40 13.449 -13.186 -5.057 1.00 0.00 O ATOM 581 CB VAL A 40 10.450 -12.633 -4.466 1.00 0.00 C ATOM 582 CG1 VAL A 40 9.903 -12.528 -5.882 1.00 0.00 C ATOM 583 CG2 VAL A 40 9.322 -12.594 -3.446 1.00 0.00 C ATOM 0 H VAL A 40 11.525 -13.297 -2.315 1.00 0.00 H new ATOM 0 HA VAL A 40 10.653 -14.780 -4.531 1.00 0.00 H new ATOM 0 HB VAL A 40 11.100 -11.776 -4.288 1.00 0.00 H new ATOM 0 HG11 VAL A 40 9.318 -11.613 -5.979 1.00 0.00 H new ATOM 0 HG12 VAL A 40 10.731 -12.507 -6.591 1.00 0.00 H new ATOM 0 HG13 VAL A 40 9.268 -13.389 -6.091 1.00 0.00 H new ATOM 0 HG21 VAL A 40 8.745 -11.678 -3.576 1.00 0.00 H new ATOM 0 HG22 VAL A 40 8.671 -13.457 -3.590 1.00 0.00 H new ATOM 0 HG23 VAL A 40 9.740 -12.619 -2.440 1.00 0.00 H new ATOM 593 N PRO A 41 12.341 -14.642 -6.371 1.00 0.00 N ATOM 594 CA PRO A 41 13.384 -14.710 -7.399 1.00 0.00 C ATOM 595 C PRO A 41 13.502 -13.413 -8.192 1.00 0.00 C ATOM 596 O PRO A 41 12.969 -13.298 -9.295 1.00 0.00 O ATOM 597 CB PRO A 41 12.913 -15.850 -8.306 1.00 0.00 C ATOM 598 CG PRO A 41 11.435 -15.896 -8.121 1.00 0.00 C ATOM 599 CD PRO A 41 11.184 -15.494 -6.694 1.00 0.00 C ATOM 0 HA PRO A 41 14.372 -14.870 -6.967 1.00 0.00 H new ATOM 0 HB2 PRO A 41 13.176 -15.662 -9.347 1.00 0.00 H new ATOM 0 HB3 PRO A 41 13.377 -16.796 -8.026 1.00 0.00 H new ATOM 0 HG2 PRO A 41 10.934 -15.218 -8.812 1.00 0.00 H new ATOM 0 HG3 PRO A 41 11.048 -16.896 -8.319 1.00 0.00 H new ATOM 0 HD2 PRO A 41 10.244 -14.952 -6.589 1.00 0.00 H new ATOM 0 HD3 PRO A 41 11.128 -16.361 -6.036 1.00 0.00 H new ATOM 607 N GLY A 42 14.205 -12.439 -7.623 1.00 0.00 N ATOM 608 CA GLY A 42 14.381 -11.163 -8.292 1.00 0.00 C ATOM 609 C GLY A 42 13.136 -10.300 -8.231 1.00 0.00 C ATOM 610 O GLY A 42 12.381 -10.219 -9.200 1.00 0.00 O ATOM 0 H GLY A 42 14.656 -12.510 -6.711 1.00 0.00 H new ATOM 0 HA2 GLY A 42 15.213 -10.628 -7.834 1.00 0.00 H new ATOM 0 HA3 GLY A 42 14.648 -11.337 -9.334 1.00 0.00 H new ATOM 614 N TYR A 43 12.920 -9.656 -7.090 1.00 0.00 N ATOM 615 CA TYR A 43 11.756 -8.798 -6.906 1.00 0.00 C ATOM 616 C TYR A 43 12.122 -7.331 -7.109 1.00 0.00 C ATOM 617 O TYR A 43 11.383 -6.576 -7.743 1.00 0.00 O ATOM 618 CB TYR A 43 11.164 -8.999 -5.509 1.00 0.00 C ATOM 619 CG TYR A 43 9.897 -8.210 -5.269 1.00 0.00 C ATOM 620 CD1 TYR A 43 9.922 -6.823 -5.198 1.00 0.00 C ATOM 621 CD2 TYR A 43 8.675 -8.852 -5.113 1.00 0.00 C ATOM 622 CE1 TYR A 43 8.766 -6.098 -4.978 1.00 0.00 C ATOM 623 CE2 TYR A 43 7.514 -8.135 -4.894 1.00 0.00 C ATOM 624 CZ TYR A 43 7.565 -6.759 -4.827 1.00 0.00 C ATOM 625 OH TYR A 43 6.412 -6.041 -4.608 1.00 0.00 O ATOM 0 H TYR A 43 13.536 -9.712 -6.279 1.00 0.00 H new ATOM 0 HA TYR A 43 11.011 -9.074 -7.653 1.00 0.00 H new ATOM 0 HB2 TYR A 43 10.956 -10.059 -5.361 1.00 0.00 H new ATOM 0 HB3 TYR A 43 11.907 -8.713 -4.764 1.00 0.00 H new ATOM 0 HD1 TYR A 43 10.861 -6.302 -5.317 1.00 0.00 H new ATOM 0 HD2 TYR A 43 8.631 -9.930 -5.164 1.00 0.00 H new ATOM 0 HE1 TYR A 43 8.803 -5.020 -4.925 1.00 0.00 H new ATOM 0 HE2 TYR A 43 6.572 -8.650 -4.776 1.00 0.00 H new ATOM 0 HH TYR A 43 5.654 -6.657 -4.525 1.00 0.00 H new ATOM 635 N LYS A 44 13.268 -6.933 -6.568 1.00 0.00 N ATOM 636 CA LYS A 44 13.736 -5.558 -6.690 1.00 0.00 C ATOM 637 C LYS A 44 14.059 -5.220 -8.142 1.00 0.00 C ATOM 638 O LYS A 44 13.867 -4.087 -8.584 1.00 0.00 O ATOM 639 CB LYS A 44 14.974 -5.339 -5.817 1.00 0.00 C ATOM 640 CG LYS A 44 16.109 -6.302 -6.119 1.00 0.00 C ATOM 641 CD LYS A 44 16.949 -6.579 -4.884 1.00 0.00 C ATOM 642 CE LYS A 44 17.565 -5.303 -4.331 1.00 0.00 C ATOM 643 NZ LYS A 44 18.845 -5.568 -3.617 1.00 0.00 N ATOM 0 H LYS A 44 13.891 -7.544 -6.040 1.00 0.00 H new ATOM 0 HA LYS A 44 12.938 -4.898 -6.350 1.00 0.00 H new ATOM 0 HB2 LYS A 44 15.329 -4.318 -5.954 1.00 0.00 H new ATOM 0 HB3 LYS A 44 14.692 -5.440 -4.769 1.00 0.00 H new ATOM 0 HG2 LYS A 44 15.701 -7.238 -6.500 1.00 0.00 H new ATOM 0 HG3 LYS A 44 16.741 -5.886 -6.904 1.00 0.00 H new ATOM 0 HD2 LYS A 44 16.329 -7.046 -4.119 1.00 0.00 H new ATOM 0 HD3 LYS A 44 17.739 -7.288 -5.132 1.00 0.00 H new ATOM 0 HE2 LYS A 44 17.743 -4.603 -5.147 1.00 0.00 H new ATOM 0 HE3 LYS A 44 16.861 -4.826 -3.649 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 19.232 -4.673 -3.255 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 18.672 -6.216 -2.823 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 19.526 -6.000 -4.274 1.00 0.00 H new ATOM 657 N LYS A 45 14.548 -6.210 -8.880 1.00 0.00 N ATOM 658 CA LYS A 45 14.895 -6.019 -10.284 1.00 0.00 C ATOM 659 C LYS A 45 13.673 -5.602 -11.094 1.00 0.00 C ATOM 660 O LYS A 45 13.776 -4.801 -12.024 1.00 0.00 O ATOM 661 CB LYS A 45 15.490 -7.305 -10.862 1.00 0.00 C ATOM 662 CG LYS A 45 16.707 -7.807 -10.105 1.00 0.00 C ATOM 663 CD LYS A 45 17.580 -8.693 -10.978 1.00 0.00 C ATOM 664 CE LYS A 45 17.160 -10.152 -10.888 1.00 0.00 C ATOM 665 NZ LYS A 45 16.109 -10.489 -11.887 1.00 0.00 N ATOM 0 H LYS A 45 14.713 -7.154 -8.530 1.00 0.00 H new ATOM 0 HA LYS A 45 15.637 -5.223 -10.345 1.00 0.00 H new ATOM 0 HB2 LYS A 45 14.725 -8.082 -10.860 1.00 0.00 H new ATOM 0 HB3 LYS A 45 15.766 -7.132 -11.902 1.00 0.00 H new ATOM 0 HG2 LYS A 45 17.290 -6.958 -9.748 1.00 0.00 H new ATOM 0 HG3 LYS A 45 16.385 -8.365 -9.226 1.00 0.00 H new ATOM 0 HD2 LYS A 45 17.518 -8.359 -12.014 1.00 0.00 H new ATOM 0 HD3 LYS A 45 18.622 -8.594 -10.672 1.00 0.00 H new ATOM 0 HE2 LYS A 45 18.029 -10.791 -11.046 1.00 0.00 H new ATOM 0 HE3 LYS A 45 16.788 -10.362 -9.885 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 15.389 -11.094 -11.443 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 15.663 -9.614 -12.230 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 16.540 -10.995 -12.687 1.00 0.00 H new ATOM 679 N VAL A 46 12.515 -6.149 -10.736 1.00 0.00 N ATOM 680 CA VAL A 46 11.273 -5.831 -11.429 1.00 0.00 C ATOM 681 C VAL A 46 10.626 -4.577 -10.850 1.00 0.00 C ATOM 682 O VAL A 46 10.100 -3.742 -11.586 1.00 0.00 O ATOM 683 CB VAL A 46 10.270 -6.997 -11.346 1.00 0.00 C ATOM 684 CG1 VAL A 46 8.919 -6.581 -11.908 1.00 0.00 C ATOM 685 CG2 VAL A 46 10.809 -8.216 -12.079 1.00 0.00 C ATOM 0 H VAL A 46 12.412 -6.814 -9.970 1.00 0.00 H new ATOM 0 HA VAL A 46 11.529 -5.655 -12.474 1.00 0.00 H new ATOM 0 HB VAL A 46 10.134 -7.262 -10.298 1.00 0.00 H new ATOM 0 HG11 VAL A 46 8.224 -7.418 -11.841 1.00 0.00 H new ATOM 0 HG12 VAL A 46 8.530 -5.739 -11.335 1.00 0.00 H new ATOM 0 HG13 VAL A 46 9.034 -6.288 -12.951 1.00 0.00 H new ATOM 0 HG21 VAL A 46 10.088 -9.030 -12.010 1.00 0.00 H new ATOM 0 HG22 VAL A 46 10.976 -7.966 -13.127 1.00 0.00 H new ATOM 0 HG23 VAL A 46 11.751 -8.526 -11.626 1.00 0.00 H new ATOM 695 N ILE A 47 10.669 -4.453 -9.528 1.00 0.00 N ATOM 696 CA ILE A 47 10.089 -3.300 -8.851 1.00 0.00 C ATOM 697 C ILE A 47 11.162 -2.280 -8.484 1.00 0.00 C ATOM 698 O ILE A 47 12.094 -2.584 -7.739 1.00 0.00 O ATOM 699 CB ILE A 47 9.336 -3.717 -7.574 1.00 0.00 C ATOM 700 CG1 ILE A 47 8.321 -4.818 -7.891 1.00 0.00 C ATOM 701 CG2 ILE A 47 8.643 -2.515 -6.950 1.00 0.00 C ATOM 702 CD1 ILE A 47 7.353 -4.448 -8.993 1.00 0.00 C ATOM 0 H ILE A 47 11.099 -5.136 -8.905 1.00 0.00 H new ATOM 0 HA ILE A 47 9.384 -2.847 -9.548 1.00 0.00 H new ATOM 0 HB ILE A 47 10.057 -4.108 -6.857 1.00 0.00 H new ATOM 0 HG12 ILE A 47 8.856 -5.723 -8.178 1.00 0.00 H new ATOM 0 HG13 ILE A 47 7.758 -5.053 -6.988 1.00 0.00 H new ATOM 0 HG21 ILE A 47 8.115 -2.827 -6.049 1.00 0.00 H new ATOM 0 HG22 ILE A 47 9.386 -1.760 -6.693 1.00 0.00 H new ATOM 0 HG23 ILE A 47 7.931 -2.096 -7.661 1.00 0.00 H new ATOM 0 HD11 ILE A 47 6.663 -5.275 -9.164 1.00 0.00 H new ATOM 0 HD12 ILE A 47 6.791 -3.561 -8.701 1.00 0.00 H new ATOM 0 HD13 ILE A 47 7.906 -4.241 -9.909 1.00 0.00 H new ATOM 714 N LYS A 48 11.023 -1.068 -9.010 1.00 0.00 N ATOM 715 CA LYS A 48 11.978 0.000 -8.737 1.00 0.00 C ATOM 716 C LYS A 48 11.815 0.524 -7.314 1.00 0.00 C ATOM 717 O LYS A 48 12.795 0.862 -6.649 1.00 0.00 O ATOM 718 CB LYS A 48 11.796 1.143 -9.737 1.00 0.00 C ATOM 719 CG LYS A 48 12.382 0.852 -11.108 1.00 0.00 C ATOM 720 CD LYS A 48 13.895 0.997 -11.109 1.00 0.00 C ATOM 721 CE LYS A 48 14.493 0.590 -12.447 1.00 0.00 C ATOM 722 NZ LYS A 48 14.597 -0.890 -12.581 1.00 0.00 N ATOM 0 H LYS A 48 10.257 -0.800 -9.629 1.00 0.00 H new ATOM 0 HA LYS A 48 12.983 -0.409 -8.842 1.00 0.00 H new ATOM 0 HB2 LYS A 48 10.732 1.355 -9.844 1.00 0.00 H new ATOM 0 HB3 LYS A 48 12.262 2.043 -9.336 1.00 0.00 H new ATOM 0 HG2 LYS A 48 12.112 -0.159 -11.413 1.00 0.00 H new ATOM 0 HG3 LYS A 48 11.950 1.532 -11.842 1.00 0.00 H new ATOM 0 HD2 LYS A 48 14.163 2.030 -10.889 1.00 0.00 H new ATOM 0 HD3 LYS A 48 14.321 0.382 -10.317 1.00 0.00 H new ATOM 0 HE2 LYS A 48 13.878 0.985 -13.255 1.00 0.00 H new ATOM 0 HE3 LYS A 48 15.483 1.035 -12.553 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 15.009 -1.127 -13.506 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 15.205 -1.265 -11.825 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 13.650 -1.313 -12.506 1.00 0.00 H new ATOM 736 N LYS A 49 10.571 0.589 -6.851 1.00 0.00 N ATOM 737 CA LYS A 49 10.279 1.069 -5.506 1.00 0.00 C ATOM 738 C LYS A 49 9.310 0.132 -4.791 1.00 0.00 C ATOM 739 O LYS A 49 8.098 0.347 -4.776 1.00 0.00 O ATOM 740 CB LYS A 49 9.690 2.481 -5.563 1.00 0.00 C ATOM 741 CG LYS A 49 10.736 3.579 -5.489 1.00 0.00 C ATOM 742 CD LYS A 49 11.123 3.885 -4.051 1.00 0.00 C ATOM 743 CE LYS A 49 10.238 4.968 -3.454 1.00 0.00 C ATOM 744 NZ LYS A 49 10.690 5.365 -2.092 1.00 0.00 N ATOM 0 H LYS A 49 9.748 0.315 -7.388 1.00 0.00 H new ATOM 0 HA LYS A 49 11.214 1.093 -4.946 1.00 0.00 H new ATOM 0 HB2 LYS A 49 9.123 2.592 -6.487 1.00 0.00 H new ATOM 0 HB3 LYS A 49 8.986 2.605 -4.740 1.00 0.00 H new ATOM 0 HG2 LYS A 49 11.621 3.278 -6.049 1.00 0.00 H new ATOM 0 HG3 LYS A 49 10.351 4.482 -5.963 1.00 0.00 H new ATOM 0 HD2 LYS A 49 11.045 2.978 -3.451 1.00 0.00 H new ATOM 0 HD3 LYS A 49 12.165 4.203 -4.013 1.00 0.00 H new ATOM 0 HE2 LYS A 49 10.242 5.841 -4.107 1.00 0.00 H new ATOM 0 HE3 LYS A 49 9.209 4.611 -3.406 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 10.061 6.105 -1.720 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 10.662 4.538 -1.462 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 11.663 5.730 -2.142 1.00 0.00 H new ATOM 758 N PRO A 50 9.855 -0.933 -4.184 1.00 0.00 N ATOM 759 CA PRO A 50 9.057 -1.923 -3.455 1.00 0.00 C ATOM 760 C PRO A 50 8.476 -1.361 -2.163 1.00 0.00 C ATOM 761 O PRO A 50 9.049 -1.532 -1.087 1.00 0.00 O ATOM 762 CB PRO A 50 10.064 -3.035 -3.150 1.00 0.00 C ATOM 763 CG PRO A 50 11.390 -2.355 -3.145 1.00 0.00 C ATOM 764 CD PRO A 50 11.293 -1.252 -4.163 1.00 0.00 C ATOM 0 HA PRO A 50 8.195 -2.257 -4.032 1.00 0.00 H new ATOM 0 HB2 PRO A 50 9.856 -3.504 -2.188 1.00 0.00 H new ATOM 0 HB3 PRO A 50 10.025 -3.822 -3.904 1.00 0.00 H new ATOM 0 HG2 PRO A 50 11.620 -1.955 -2.157 1.00 0.00 H new ATOM 0 HG3 PRO A 50 12.188 -3.053 -3.400 1.00 0.00 H new ATOM 0 HD2 PRO A 50 11.892 -0.388 -3.877 1.00 0.00 H new ATOM 0 HD3 PRO A 50 11.647 -1.576 -5.142 1.00 0.00 H new ATOM 772 N MET A 51 7.334 -0.690 -2.275 1.00 0.00 N ATOM 773 CA MET A 51 6.675 -0.104 -1.114 1.00 0.00 C ATOM 774 C MET A 51 5.652 -1.070 -0.525 1.00 0.00 C ATOM 775 O MET A 51 5.193 -1.991 -1.201 1.00 0.00 O ATOM 776 CB MET A 51 5.992 1.210 -1.498 1.00 0.00 C ATOM 777 CG MET A 51 5.557 2.041 -0.302 1.00 0.00 C ATOM 778 SD MET A 51 6.917 2.402 0.825 1.00 0.00 S ATOM 779 CE MET A 51 8.004 3.340 -0.247 1.00 0.00 C ATOM 0 H MET A 51 6.846 -0.539 -3.158 1.00 0.00 H new ATOM 0 HA MET A 51 7.435 0.097 -0.359 1.00 0.00 H new ATOM 0 HB2 MET A 51 6.674 1.799 -2.111 1.00 0.00 H new ATOM 0 HB3 MET A 51 5.120 0.990 -2.114 1.00 0.00 H new ATOM 0 HG2 MET A 51 5.123 2.977 -0.654 1.00 0.00 H new ATOM 0 HG3 MET A 51 4.774 1.510 0.239 1.00 0.00 H new ATOM 0 HE1 MET A 51 8.505 4.116 0.332 1.00 0.00 H new ATOM 0 HE2 MET A 51 8.749 2.674 -0.682 1.00 0.00 H new ATOM 0 HE3 MET A 51 7.420 3.801 -1.043 1.00 0.00 H new ATOM 789 N ASP A 52 5.298 -0.853 0.737 1.00 0.00 N ATOM 790 CA ASP A 52 4.328 -1.704 1.416 1.00 0.00 C ATOM 791 C ASP A 52 3.636 -0.946 2.544 1.00 0.00 C ATOM 792 O ASP A 52 4.263 -0.158 3.253 1.00 0.00 O ATOM 793 CB ASP A 52 5.014 -2.953 1.971 1.00 0.00 C ATOM 794 CG ASP A 52 6.145 -3.435 1.083 1.00 0.00 C ATOM 795 OD1 ASP A 52 7.282 -2.946 1.253 1.00 0.00 O ATOM 796 OD2 ASP A 52 5.894 -4.301 0.220 1.00 0.00 O ATOM 0 H ASP A 52 5.668 -0.095 1.310 1.00 0.00 H new ATOM 0 HA ASP A 52 3.574 -2.005 0.689 1.00 0.00 H new ATOM 0 HB2 ASP A 52 5.403 -2.738 2.966 1.00 0.00 H new ATOM 0 HB3 ASP A 52 4.278 -3.749 2.082 1.00 0.00 H new ATOM 801 N PHE A 53 2.339 -1.188 2.704 1.00 0.00 N ATOM 802 CA PHE A 53 1.561 -0.526 3.745 1.00 0.00 C ATOM 803 C PHE A 53 2.310 -0.536 5.074 1.00 0.00 C ATOM 804 O PHE A 53 2.405 0.487 5.752 1.00 0.00 O ATOM 805 CB PHE A 53 0.202 -1.211 3.908 1.00 0.00 C ATOM 806 CG PHE A 53 -0.703 -1.038 2.721 1.00 0.00 C ATOM 807 CD1 PHE A 53 -0.814 0.192 2.092 1.00 0.00 C ATOM 808 CD2 PHE A 53 -1.441 -2.104 2.235 1.00 0.00 C ATOM 809 CE1 PHE A 53 -1.646 0.354 1.000 1.00 0.00 C ATOM 810 CE2 PHE A 53 -2.275 -1.948 1.144 1.00 0.00 C ATOM 811 CZ PHE A 53 -2.377 -0.718 0.525 1.00 0.00 C ATOM 0 H PHE A 53 1.805 -1.837 2.126 1.00 0.00 H new ATOM 0 HA PHE A 53 1.405 0.510 3.444 1.00 0.00 H new ATOM 0 HB2 PHE A 53 0.359 -2.275 4.083 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -0.293 -0.812 4.793 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -0.244 1.033 2.459 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -1.364 -3.069 2.714 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -1.725 1.318 0.519 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -2.846 -2.787 0.776 1.00 0.00 H new ATOM 0 HZ PHE A 53 -3.027 -0.594 -0.329 1.00 0.00 H new ATOM 821 N SER A 54 2.840 -1.699 5.439 1.00 0.00 N ATOM 822 CA SER A 54 3.578 -1.844 6.689 1.00 0.00 C ATOM 823 C SER A 54 4.678 -0.793 6.795 1.00 0.00 C ATOM 824 O SER A 54 4.850 -0.159 7.837 1.00 0.00 O ATOM 825 CB SER A 54 4.183 -3.245 6.788 1.00 0.00 C ATOM 826 OG SER A 54 5.322 -3.250 7.632 1.00 0.00 O ATOM 0 H SER A 54 2.772 -2.554 4.887 1.00 0.00 H new ATOM 0 HA SER A 54 2.881 -1.698 7.514 1.00 0.00 H new ATOM 0 HB2 SER A 54 3.437 -3.940 7.174 1.00 0.00 H new ATOM 0 HB3 SER A 54 4.461 -3.595 5.794 1.00 0.00 H new ATOM 0 HG SER A 54 5.690 -4.157 7.680 1.00 0.00 H new ATOM 832 N THR A 55 5.423 -0.612 5.709 1.00 0.00 N ATOM 833 CA THR A 55 6.508 0.360 5.678 1.00 0.00 C ATOM 834 C THR A 55 5.968 1.786 5.665 1.00 0.00 C ATOM 835 O THR A 55 6.300 2.593 6.533 1.00 0.00 O ATOM 836 CB THR A 55 7.412 0.154 4.449 1.00 0.00 C ATOM 837 OG1 THR A 55 7.943 -1.176 4.448 1.00 0.00 O ATOM 838 CG2 THR A 55 8.553 1.161 4.442 1.00 0.00 C ATOM 0 H THR A 55 5.294 -1.127 4.838 1.00 0.00 H new ATOM 0 HA THR A 55 7.097 0.205 6.582 1.00 0.00 H new ATOM 0 HB THR A 55 6.810 0.304 3.553 1.00 0.00 H new ATOM 0 HG1 THR A 55 8.515 -1.299 3.662 1.00 0.00 H new ATOM 0 HG21 THR A 55 9.178 0.996 3.565 1.00 0.00 H new ATOM 0 HG22 THR A 55 8.146 2.172 4.413 1.00 0.00 H new ATOM 0 HG23 THR A 55 9.153 1.037 5.344 1.00 0.00 H new ATOM 846 N ILE A 56 5.134 2.089 4.676 1.00 0.00 N ATOM 847 CA ILE A 56 4.548 3.417 4.551 1.00 0.00 C ATOM 848 C ILE A 56 4.230 4.008 5.921 1.00 0.00 C ATOM 849 O ILE A 56 4.654 5.118 6.243 1.00 0.00 O ATOM 850 CB ILE A 56 3.260 3.388 3.707 1.00 0.00 C ATOM 851 CG1 ILE A 56 3.557 2.850 2.305 1.00 0.00 C ATOM 852 CG2 ILE A 56 2.646 4.777 3.628 1.00 0.00 C ATOM 853 CD1 ILE A 56 2.350 2.841 1.393 1.00 0.00 C ATOM 0 H ILE A 56 4.849 1.432 3.949 1.00 0.00 H new ATOM 0 HA ILE A 56 5.287 4.042 4.050 1.00 0.00 H new ATOM 0 HB ILE A 56 2.543 2.723 4.188 1.00 0.00 H new ATOM 0 HG12 ILE A 56 4.341 3.456 1.851 1.00 0.00 H new ATOM 0 HG13 ILE A 56 3.946 1.835 2.389 1.00 0.00 H new ATOM 0 HG21 ILE A 56 1.737 4.739 3.028 1.00 0.00 H new ATOM 0 HG22 ILE A 56 2.404 5.126 4.632 1.00 0.00 H new ATOM 0 HG23 ILE A 56 3.356 5.463 3.167 1.00 0.00 H new ATOM 0 HD11 ILE A 56 2.634 2.448 0.417 1.00 0.00 H new ATOM 0 HD12 ILE A 56 1.572 2.212 1.825 1.00 0.00 H new ATOM 0 HD13 ILE A 56 1.973 3.857 1.279 1.00 0.00 H new ATOM 865 N ARG A 57 3.483 3.258 6.724 1.00 0.00 N ATOM 866 CA ARG A 57 3.109 3.707 8.060 1.00 0.00 C ATOM 867 C ARG A 57 4.321 4.251 8.810 1.00 0.00 C ATOM 868 O ARG A 57 4.366 5.429 9.163 1.00 0.00 O ATOM 869 CB ARG A 57 2.481 2.557 8.850 1.00 0.00 C ATOM 870 CG ARG A 57 0.966 2.499 8.740 1.00 0.00 C ATOM 871 CD ARG A 57 0.296 3.274 9.864 1.00 0.00 C ATOM 872 NE ARG A 57 0.412 4.718 9.678 1.00 0.00 N ATOM 873 CZ ARG A 57 0.233 5.602 10.653 1.00 0.00 C ATOM 874 NH1 ARG A 57 -0.069 5.191 11.877 1.00 0.00 N ATOM 875 NH2 ARG A 57 0.356 6.900 10.405 1.00 0.00 N ATOM 0 H ARG A 57 3.125 2.337 6.473 1.00 0.00 H new ATOM 0 HA ARG A 57 2.378 4.509 7.955 1.00 0.00 H new ATOM 0 HB2 ARG A 57 2.899 1.614 8.497 1.00 0.00 H new ATOM 0 HB3 ARG A 57 2.757 2.655 9.900 1.00 0.00 H new ATOM 0 HG2 ARG A 57 0.654 2.907 7.779 1.00 0.00 H new ATOM 0 HG3 ARG A 57 0.638 1.460 8.767 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -0.757 2.999 9.916 1.00 0.00 H new ATOM 0 HD3 ARG A 57 0.746 2.994 10.816 1.00 0.00 H new ATOM 0 HE ARG A 57 0.643 5.067 8.748 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -0.164 4.194 12.071 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -0.206 5.872 12.624 1.00 0.00 H new ATOM 0 HH21 ARG A 57 0.588 7.220 9.465 1.00 0.00 H new ATOM 0 HH22 ARG A 57 0.218 7.578 11.155 1.00 0.00 H new ATOM 889 N GLU A 58 5.301 3.385 9.048 1.00 0.00 N ATOM 890 CA GLU A 58 6.512 3.780 9.757 1.00 0.00 C ATOM 891 C GLU A 58 6.911 5.209 9.400 1.00 0.00 C ATOM 892 O GLU A 58 7.149 6.038 10.279 1.00 0.00 O ATOM 893 CB GLU A 58 7.658 2.822 9.427 1.00 0.00 C ATOM 894 CG GLU A 58 7.616 1.526 10.220 1.00 0.00 C ATOM 895 CD GLU A 58 6.523 0.588 9.745 1.00 0.00 C ATOM 896 OE1 GLU A 58 5.334 0.924 9.922 1.00 0.00 O ATOM 897 OE2 GLU A 58 6.858 -0.483 9.197 1.00 0.00 O ATOM 0 H GLU A 58 5.280 2.407 8.761 1.00 0.00 H new ATOM 0 HA GLU A 58 6.306 3.735 10.826 1.00 0.00 H new ATOM 0 HB2 GLU A 58 7.630 2.588 8.363 1.00 0.00 H new ATOM 0 HB3 GLU A 58 8.606 3.324 9.618 1.00 0.00 H new ATOM 0 HG2 GLU A 58 8.580 1.024 10.141 1.00 0.00 H new ATOM 0 HG3 GLU A 58 7.461 1.754 11.275 1.00 0.00 H new ATOM 904 N LYS A 59 6.981 5.490 8.104 1.00 0.00 N ATOM 905 CA LYS A 59 7.350 6.818 7.627 1.00 0.00 C ATOM 906 C LYS A 59 6.226 7.818 7.880 1.00 0.00 C ATOM 907 O LYS A 59 6.477 8.989 8.171 1.00 0.00 O ATOM 908 CB LYS A 59 7.681 6.773 6.134 1.00 0.00 C ATOM 909 CG LYS A 59 8.868 5.887 5.800 1.00 0.00 C ATOM 910 CD LYS A 59 8.996 5.666 4.302 1.00 0.00 C ATOM 911 CE LYS A 59 9.825 6.761 3.647 1.00 0.00 C ATOM 912 NZ LYS A 59 11.274 6.420 3.622 1.00 0.00 N ATOM 0 H LYS A 59 6.787 4.815 7.364 1.00 0.00 H new ATOM 0 HA LYS A 59 8.233 7.143 8.178 1.00 0.00 H new ATOM 0 HB2 LYS A 59 6.808 6.417 5.588 1.00 0.00 H new ATOM 0 HB3 LYS A 59 7.885 7.785 5.785 1.00 0.00 H new ATOM 0 HG2 LYS A 59 9.782 6.343 6.181 1.00 0.00 H new ATOM 0 HG3 LYS A 59 8.758 4.926 6.302 1.00 0.00 H new ATOM 0 HD2 LYS A 59 9.458 4.697 4.114 1.00 0.00 H new ATOM 0 HD3 LYS A 59 8.004 5.640 3.851 1.00 0.00 H new ATOM 0 HE2 LYS A 59 9.473 6.923 2.628 1.00 0.00 H new ATOM 0 HE3 LYS A 59 9.682 7.697 4.187 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 11.804 7.191 3.168 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 11.617 6.290 4.595 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 11.414 5.540 3.085 1.00 0.00 H new ATOM 926 N LEU A 60 4.988 7.350 7.768 1.00 0.00 N ATOM 927 CA LEU A 60 3.825 8.203 7.986 1.00 0.00 C ATOM 928 C LEU A 60 3.786 8.714 9.423 1.00 0.00 C ATOM 929 O LEU A 60 3.758 9.921 9.663 1.00 0.00 O ATOM 930 CB LEU A 60 2.539 7.437 7.670 1.00 0.00 C ATOM 931 CG LEU A 60 1.365 8.276 7.165 1.00 0.00 C ATOM 932 CD1 LEU A 60 0.067 7.491 7.262 1.00 0.00 C ATOM 933 CD2 LEU A 60 1.263 9.577 7.947 1.00 0.00 C ATOM 0 H LEU A 60 4.764 6.385 7.527 1.00 0.00 H new ATOM 0 HA LEU A 60 3.904 9.060 7.317 1.00 0.00 H new ATOM 0 HB2 LEU A 60 2.766 6.679 6.921 1.00 0.00 H new ATOM 0 HB3 LEU A 60 2.223 6.911 8.571 1.00 0.00 H new ATOM 0 HG LEU A 60 1.542 8.518 6.117 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -0.757 8.104 6.898 1.00 0.00 H new ATOM 0 HD12 LEU A 60 0.142 6.588 6.657 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -0.116 7.217 8.301 1.00 0.00 H new ATOM 0 HD21 LEU A 60 0.422 10.161 7.574 1.00 0.00 H new ATOM 0 HD22 LEU A 60 1.111 9.356 9.003 1.00 0.00 H new ATOM 0 HD23 LEU A 60 2.184 10.148 7.825 1.00 0.00 H new ATOM 945 N SER A 61 3.786 7.787 10.376 1.00 0.00 N ATOM 946 CA SER A 61 3.748 8.143 11.789 1.00 0.00 C ATOM 947 C SER A 61 5.013 8.894 12.193 1.00 0.00 C ATOM 948 O SER A 61 4.959 9.856 12.959 1.00 0.00 O ATOM 949 CB SER A 61 3.590 6.887 12.649 1.00 0.00 C ATOM 950 OG SER A 61 3.271 7.223 13.988 1.00 0.00 O ATOM 0 H SER A 61 3.812 6.784 10.195 1.00 0.00 H new ATOM 0 HA SER A 61 2.891 8.796 11.952 1.00 0.00 H new ATOM 0 HB2 SER A 61 2.806 6.254 12.233 1.00 0.00 H new ATOM 0 HB3 SER A 61 4.513 6.308 12.626 1.00 0.00 H new ATOM 0 HG SER A 61 3.174 6.404 14.517 1.00 0.00 H new ATOM 956 N SER A 62 6.152 8.446 11.673 1.00 0.00 N ATOM 957 CA SER A 62 7.432 9.073 11.983 1.00 0.00 C ATOM 958 C SER A 62 7.447 10.530 11.530 1.00 0.00 C ATOM 959 O SER A 62 8.228 11.338 12.030 1.00 0.00 O ATOM 960 CB SER A 62 8.573 8.307 11.311 1.00 0.00 C ATOM 961 OG SER A 62 9.827 8.895 11.611 1.00 0.00 O ATOM 0 H SER A 62 6.214 7.652 11.036 1.00 0.00 H new ATOM 0 HA SER A 62 7.571 9.045 13.064 1.00 0.00 H new ATOM 0 HB2 SER A 62 8.565 7.269 11.645 1.00 0.00 H new ATOM 0 HB3 SER A 62 8.422 8.296 10.232 1.00 0.00 H new ATOM 0 HG SER A 62 10.540 8.387 11.171 1.00 0.00 H new ATOM 967 N GLY A 63 6.576 10.857 10.580 1.00 0.00 N ATOM 968 CA GLY A 63 6.505 12.216 10.076 1.00 0.00 C ATOM 969 C GLY A 63 7.524 12.484 8.987 1.00 0.00 C ATOM 970 O GLY A 63 8.107 13.566 8.927 1.00 0.00 O ATOM 0 H GLY A 63 5.919 10.206 10.151 1.00 0.00 H new ATOM 0 HA2 GLY A 63 5.504 12.404 9.687 1.00 0.00 H new ATOM 0 HA3 GLY A 63 6.664 12.914 10.898 1.00 0.00 H new ATOM 974 N GLN A 64 7.741 11.495 8.125 1.00 0.00 N ATOM 975 CA GLN A 64 8.700 11.630 7.034 1.00 0.00 C ATOM 976 C GLN A 64 8.088 12.392 5.863 1.00 0.00 C ATOM 977 O GLN A 64 8.799 13.029 5.085 1.00 0.00 O ATOM 978 CB GLN A 64 9.173 10.251 6.570 1.00 0.00 C ATOM 979 CG GLN A 64 9.771 9.407 7.683 1.00 0.00 C ATOM 980 CD GLN A 64 11.253 9.661 7.876 1.00 0.00 C ATOM 981 OE1 GLN A 64 11.793 10.655 7.389 1.00 0.00 O ATOM 982 NE2 GLN A 64 11.920 8.762 8.591 1.00 0.00 N ATOM 0 H GLN A 64 7.266 10.593 8.161 1.00 0.00 H new ATOM 0 HA GLN A 64 9.556 12.195 7.403 1.00 0.00 H new ATOM 0 HB2 GLN A 64 8.331 9.716 6.132 1.00 0.00 H new ATOM 0 HB3 GLN A 64 9.915 10.377 5.782 1.00 0.00 H new ATOM 0 HG2 GLN A 64 9.246 9.617 8.615 1.00 0.00 H new ATOM 0 HG3 GLN A 64 9.613 8.352 7.459 1.00 0.00 H new ATOM 0 HE21 GLN A 64 11.432 7.953 8.976 1.00 0.00 H new ATOM 0 HE22 GLN A 64 12.920 8.881 8.755 1.00 0.00 H new ATOM 991 N TYR A 65 6.767 12.321 5.743 1.00 0.00 N ATOM 992 CA TYR A 65 6.060 13.002 4.665 1.00 0.00 C ATOM 993 C TYR A 65 5.755 14.449 5.041 1.00 0.00 C ATOM 994 O TYR A 65 4.984 14.729 5.960 1.00 0.00 O ATOM 995 CB TYR A 65 4.762 12.265 4.333 1.00 0.00 C ATOM 996 CG TYR A 65 4.961 10.801 4.014 1.00 0.00 C ATOM 997 CD1 TYR A 65 5.748 10.405 2.939 1.00 0.00 C ATOM 998 CD2 TYR A 65 4.363 9.813 4.786 1.00 0.00 C ATOM 999 CE1 TYR A 65 5.933 9.068 2.643 1.00 0.00 C ATOM 1000 CE2 TYR A 65 4.543 8.474 4.499 1.00 0.00 C ATOM 1001 CZ TYR A 65 5.329 8.106 3.426 1.00 0.00 C ATOM 1002 OH TYR A 65 5.510 6.774 3.136 1.00 0.00 O ATOM 0 H TYR A 65 6.164 11.799 6.379 1.00 0.00 H new ATOM 0 HA TYR A 65 6.705 13.003 3.786 1.00 0.00 H new ATOM 0 HB2 TYR A 65 4.077 12.354 5.176 1.00 0.00 H new ATOM 0 HB3 TYR A 65 4.285 12.752 3.482 1.00 0.00 H new ATOM 0 HD1 TYR A 65 6.223 11.155 2.324 1.00 0.00 H new ATOM 0 HD2 TYR A 65 3.746 10.097 5.626 1.00 0.00 H new ATOM 0 HE1 TYR A 65 6.547 8.778 1.803 1.00 0.00 H new ATOM 0 HE2 TYR A 65 4.071 7.719 5.111 1.00 0.00 H new ATOM 0 HH TYR A 65 5.863 6.682 2.226 1.00 0.00 H new ATOM 1012 N PRO A 66 6.374 15.391 4.315 1.00 0.00 N ATOM 1013 CA PRO A 66 6.184 16.825 4.552 1.00 0.00 C ATOM 1014 C PRO A 66 4.789 17.298 4.158 1.00 0.00 C ATOM 1015 O PRO A 66 4.312 18.324 4.642 1.00 0.00 O ATOM 1016 CB PRO A 66 7.242 17.476 3.657 1.00 0.00 C ATOM 1017 CG PRO A 66 7.485 16.482 2.574 1.00 0.00 C ATOM 1018 CD PRO A 66 7.306 15.129 3.205 1.00 0.00 C ATOM 0 HA PRO A 66 6.283 17.080 5.607 1.00 0.00 H new ATOM 0 HB2 PRO A 66 6.889 18.424 3.252 1.00 0.00 H new ATOM 0 HB3 PRO A 66 8.155 17.687 4.213 1.00 0.00 H new ATOM 0 HG2 PRO A 66 6.786 16.624 1.750 1.00 0.00 H new ATOM 0 HG3 PRO A 66 8.488 16.591 2.162 1.00 0.00 H new ATOM 0 HD2 PRO A 66 6.897 14.407 2.498 1.00 0.00 H new ATOM 0 HD3 PRO A 66 8.253 14.724 3.562 1.00 0.00 H new ATOM 1026 N ASN A 67 4.141 16.544 3.277 1.00 0.00 N ATOM 1027 CA ASN A 67 2.799 16.887 2.818 1.00 0.00 C ATOM 1028 C ASN A 67 2.065 15.650 2.310 1.00 0.00 C ATOM 1029 O ASN A 67 2.582 14.534 2.384 1.00 0.00 O ATOM 1030 CB ASN A 67 2.871 17.942 1.711 1.00 0.00 C ATOM 1031 CG ASN A 67 4.097 17.777 0.834 1.00 0.00 C ATOM 1032 OD1 ASN A 67 4.178 16.650 0.136 1.00 0.00 O flip ATOM 1033 ND2 ASN A 67 4.960 18.653 0.784 1.00 0.00 N flip ATOM 0 H ASN A 67 4.522 15.692 2.866 1.00 0.00 H new ATOM 0 HA ASN A 67 2.245 17.294 3.664 1.00 0.00 H new ATOM 0 HB2 ASN A 67 1.975 17.879 1.094 1.00 0.00 H new ATOM 0 HB3 ASN A 67 2.880 18.935 2.160 1.00 0.00 H new ATOM 0 HD21 ASN A 67 4.856 19.503 1.338 1.00 0.00 H new ATOM 0 HD22 ASN A 67 5.779 18.529 0.189 1.00 0.00 H new ATOM 1040 N LEU A 68 0.858 15.855 1.795 1.00 0.00 N ATOM 1041 CA LEU A 68 0.052 14.757 1.274 1.00 0.00 C ATOM 1042 C LEU A 68 0.683 14.167 0.017 1.00 0.00 C ATOM 1043 O LEU A 68 0.887 12.957 -0.077 1.00 0.00 O ATOM 1044 CB LEU A 68 -1.367 15.240 0.967 1.00 0.00 C ATOM 1045 CG LEU A 68 -2.024 16.114 2.036 1.00 0.00 C ATOM 1046 CD1 LEU A 68 -3.070 17.025 1.412 1.00 0.00 C ATOM 1047 CD2 LEU A 68 -2.647 15.250 3.123 1.00 0.00 C ATOM 0 H LEU A 68 0.416 16.772 1.727 1.00 0.00 H new ATOM 0 HA LEU A 68 0.007 13.979 2.036 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -1.345 15.800 0.032 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -1.999 14.367 0.801 1.00 0.00 H new ATOM 0 HG LEU A 68 -1.254 16.737 2.492 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -3.527 17.639 2.188 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -2.596 17.669 0.671 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -3.838 16.420 0.929 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -3.110 15.889 3.875 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -3.404 14.601 2.683 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -1.874 14.640 3.591 1.00 0.00 H new ATOM 1059 N GLU A 69 0.991 15.030 -0.946 1.00 0.00 N ATOM 1060 CA GLU A 69 1.601 14.593 -2.196 1.00 0.00 C ATOM 1061 C GLU A 69 2.539 13.413 -1.961 1.00 0.00 C ATOM 1062 O GLU A 69 2.269 12.293 -2.395 1.00 0.00 O ATOM 1063 CB GLU A 69 2.367 15.747 -2.846 1.00 0.00 C ATOM 1064 CG GLU A 69 2.799 15.463 -4.275 1.00 0.00 C ATOM 1065 CD GLU A 69 3.180 16.721 -5.031 1.00 0.00 C ATOM 1066 OE1 GLU A 69 2.353 17.656 -5.079 1.00 0.00 O ATOM 1067 OE2 GLU A 69 4.303 16.770 -5.575 1.00 0.00 O ATOM 0 H GLU A 69 0.828 16.035 -0.884 1.00 0.00 H new ATOM 0 HA GLU A 69 0.804 14.272 -2.867 1.00 0.00 H new ATOM 0 HB2 GLU A 69 1.741 16.639 -2.835 1.00 0.00 H new ATOM 0 HB3 GLU A 69 3.249 15.970 -2.246 1.00 0.00 H new ATOM 0 HG2 GLU A 69 3.648 14.779 -4.265 1.00 0.00 H new ATOM 0 HG3 GLU A 69 1.989 14.958 -4.802 1.00 0.00 H new ATOM 1074 N THR A 70 3.645 13.673 -1.271 1.00 0.00 N ATOM 1075 CA THR A 70 4.626 12.635 -0.979 1.00 0.00 C ATOM 1076 C THR A 70 3.944 11.342 -0.546 1.00 0.00 C ATOM 1077 O THR A 70 4.144 10.290 -1.154 1.00 0.00 O ATOM 1078 CB THR A 70 5.604 13.081 0.125 1.00 0.00 C ATOM 1079 OG1 THR A 70 4.876 13.564 1.259 1.00 0.00 O ATOM 1080 CG2 THR A 70 6.537 14.168 -0.386 1.00 0.00 C ATOM 0 H THR A 70 3.884 14.594 -0.904 1.00 0.00 H new ATOM 0 HA THR A 70 5.184 12.459 -1.899 1.00 0.00 H new ATOM 0 HB THR A 70 6.203 12.219 0.419 1.00 0.00 H new ATOM 0 HG1 THR A 70 4.454 14.420 1.036 1.00 0.00 H new ATOM 0 HG21 THR A 70 7.218 14.467 0.411 1.00 0.00 H new ATOM 0 HG22 THR A 70 7.111 13.787 -1.231 1.00 0.00 H new ATOM 0 HG23 THR A 70 5.951 15.030 -0.705 1.00 0.00 H new ATOM 1088 N PHE A 71 3.139 11.426 0.508 1.00 0.00 N ATOM 1089 CA PHE A 71 2.428 10.262 1.022 1.00 0.00 C ATOM 1090 C PHE A 71 1.677 9.545 -0.097 1.00 0.00 C ATOM 1091 O PHE A 71 1.763 8.326 -0.235 1.00 0.00 O ATOM 1092 CB PHE A 71 1.450 10.680 2.122 1.00 0.00 C ATOM 1093 CG PHE A 71 0.466 9.606 2.489 1.00 0.00 C ATOM 1094 CD1 PHE A 71 0.779 8.662 3.455 1.00 0.00 C ATOM 1095 CD2 PHE A 71 -0.771 9.539 1.868 1.00 0.00 C ATOM 1096 CE1 PHE A 71 -0.124 7.673 3.795 1.00 0.00 C ATOM 1097 CE2 PHE A 71 -1.678 8.552 2.205 1.00 0.00 C ATOM 1098 CZ PHE A 71 -1.354 7.617 3.169 1.00 0.00 C ATOM 0 H PHE A 71 2.963 12.289 1.023 1.00 0.00 H new ATOM 0 HA PHE A 71 3.163 9.574 1.441 1.00 0.00 H new ATOM 0 HB2 PHE A 71 2.014 10.964 3.010 1.00 0.00 H new ATOM 0 HB3 PHE A 71 0.904 11.565 1.795 1.00 0.00 H new ATOM 0 HD1 PHE A 71 1.740 8.700 3.947 1.00 0.00 H new ATOM 0 HD2 PHE A 71 -1.029 10.266 1.112 1.00 0.00 H new ATOM 0 HE1 PHE A 71 0.132 6.944 4.550 1.00 0.00 H new ATOM 0 HE2 PHE A 71 -2.640 8.512 1.715 1.00 0.00 H new ATOM 0 HZ PHE A 71 -2.061 6.844 3.433 1.00 0.00 H new ATOM 1108 N ALA A 72 0.940 10.313 -0.893 1.00 0.00 N ATOM 1109 CA ALA A 72 0.175 9.753 -2.000 1.00 0.00 C ATOM 1110 C ALA A 72 1.089 9.055 -3.001 1.00 0.00 C ATOM 1111 O ALA A 72 0.786 7.958 -3.473 1.00 0.00 O ATOM 1112 CB ALA A 72 -0.631 10.844 -2.690 1.00 0.00 C ATOM 0 H ALA A 72 0.857 11.325 -0.792 1.00 0.00 H new ATOM 0 HA ALA A 72 -0.512 9.010 -1.595 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -1.197 10.411 -3.515 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -1.319 11.296 -1.975 1.00 0.00 H new ATOM 0 HB3 ALA A 72 0.045 11.607 -3.075 1.00 0.00 H new ATOM 1118 N LEU A 73 2.207 9.696 -3.321 1.00 0.00 N ATOM 1119 CA LEU A 73 3.166 9.137 -4.268 1.00 0.00 C ATOM 1120 C LEU A 73 3.490 7.687 -3.921 1.00 0.00 C ATOM 1121 O LEU A 73 3.500 6.817 -4.793 1.00 0.00 O ATOM 1122 CB LEU A 73 4.448 9.970 -4.278 1.00 0.00 C ATOM 1123 CG LEU A 73 4.342 11.358 -4.910 1.00 0.00 C ATOM 1124 CD1 LEU A 73 5.580 12.184 -4.596 1.00 0.00 C ATOM 1125 CD2 LEU A 73 4.141 11.246 -6.414 1.00 0.00 C ATOM 0 H LEU A 73 2.472 10.604 -2.939 1.00 0.00 H new ATOM 0 HA LEU A 73 2.717 9.163 -5.261 1.00 0.00 H new ATOM 0 HB2 LEU A 73 4.790 10.086 -3.250 1.00 0.00 H new ATOM 0 HB3 LEU A 73 5.218 9.409 -4.808 1.00 0.00 H new ATOM 0 HG LEU A 73 3.475 11.864 -4.485 1.00 0.00 H new ATOM 0 HD11 LEU A 73 5.486 13.169 -5.054 1.00 0.00 H new ATOM 0 HD12 LEU A 73 5.680 12.294 -3.516 1.00 0.00 H new ATOM 0 HD13 LEU A 73 6.463 11.682 -4.992 1.00 0.00 H new ATOM 0 HD21 LEU A 73 4.068 12.244 -6.847 1.00 0.00 H new ATOM 0 HD22 LEU A 73 4.987 10.720 -6.856 1.00 0.00 H new ATOM 0 HD23 LEU A 73 3.224 10.694 -6.618 1.00 0.00 H new ATOM 1137 N ASP A 74 3.753 7.435 -2.644 1.00 0.00 N ATOM 1138 CA ASP A 74 4.075 6.090 -2.181 1.00 0.00 C ATOM 1139 C ASP A 74 2.871 5.163 -2.323 1.00 0.00 C ATOM 1140 O ASP A 74 2.996 4.034 -2.796 1.00 0.00 O ATOM 1141 CB ASP A 74 4.537 6.126 -0.723 1.00 0.00 C ATOM 1142 CG ASP A 74 6.032 6.338 -0.595 1.00 0.00 C ATOM 1143 OD1 ASP A 74 6.739 6.216 -1.618 1.00 0.00 O ATOM 1144 OD2 ASP A 74 6.496 6.626 0.528 1.00 0.00 O ATOM 0 H ASP A 74 3.750 8.144 -1.911 1.00 0.00 H new ATOM 0 HA ASP A 74 4.884 5.703 -2.801 1.00 0.00 H new ATOM 0 HB2 ASP A 74 4.013 6.925 -0.199 1.00 0.00 H new ATOM 0 HB3 ASP A 74 4.262 5.191 -0.235 1.00 0.00 H new ATOM 1149 N VAL A 75 1.705 5.649 -1.910 1.00 0.00 N ATOM 1150 CA VAL A 75 0.478 4.866 -1.991 1.00 0.00 C ATOM 1151 C VAL A 75 0.209 4.413 -3.422 1.00 0.00 C ATOM 1152 O VAL A 75 0.182 3.216 -3.710 1.00 0.00 O ATOM 1153 CB VAL A 75 -0.735 5.667 -1.481 1.00 0.00 C ATOM 1154 CG1 VAL A 75 -2.013 4.856 -1.633 1.00 0.00 C ATOM 1155 CG2 VAL A 75 -0.526 6.084 -0.033 1.00 0.00 C ATOM 0 H VAL A 75 1.584 6.582 -1.516 1.00 0.00 H new ATOM 0 HA VAL A 75 0.619 3.991 -1.356 1.00 0.00 H new ATOM 0 HB VAL A 75 -0.833 6.569 -2.084 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -2.859 5.438 -1.268 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -2.167 4.613 -2.684 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -1.930 3.935 -1.056 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -1.392 6.649 0.312 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -0.402 5.196 0.587 1.00 0.00 H new ATOM 0 HG23 VAL A 75 0.366 6.706 0.041 1.00 0.00 H new ATOM 1165 N ARG A 76 0.011 5.377 -4.315 1.00 0.00 N ATOM 1166 CA ARG A 76 -0.256 5.078 -5.716 1.00 0.00 C ATOM 1167 C ARG A 76 0.815 4.155 -6.289 1.00 0.00 C ATOM 1168 O ARG A 76 0.569 3.420 -7.247 1.00 0.00 O ATOM 1169 CB ARG A 76 -0.321 6.370 -6.533 1.00 0.00 C ATOM 1170 CG ARG A 76 -1.429 7.314 -6.093 1.00 0.00 C ATOM 1171 CD ARG A 76 -1.053 8.767 -6.337 1.00 0.00 C ATOM 1172 NE ARG A 76 -1.439 9.215 -7.673 1.00 0.00 N ATOM 1173 CZ ARG A 76 -1.409 10.485 -8.058 1.00 0.00 C ATOM 1174 NH1 ARG A 76 -1.014 11.429 -7.215 1.00 0.00 N ATOM 1175 NH2 ARG A 76 -1.776 10.814 -9.291 1.00 0.00 N ATOM 0 H ARG A 76 0.031 6.372 -4.093 1.00 0.00 H new ATOM 0 HA ARG A 76 -1.219 4.570 -5.775 1.00 0.00 H new ATOM 0 HB2 ARG A 76 0.636 6.886 -6.457 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -0.465 6.119 -7.584 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -2.345 7.078 -6.634 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -1.637 7.164 -5.034 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -1.536 9.397 -5.590 1.00 0.00 H new ATOM 0 HD3 ARG A 76 0.023 8.889 -6.210 1.00 0.00 H new ATOM 0 HE ARG A 76 -1.748 8.514 -8.346 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -0.732 11.180 -6.267 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -0.992 12.404 -7.515 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -2.081 10.091 -9.942 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -1.753 11.790 -9.587 1.00 0.00 H new ATOM 1189 N LEU A 77 2.004 4.199 -5.698 1.00 0.00 N ATOM 1190 CA LEU A 77 3.114 3.367 -6.150 1.00 0.00 C ATOM 1191 C LEU A 77 2.950 1.930 -5.664 1.00 0.00 C ATOM 1192 O LEU A 77 3.383 0.987 -6.327 1.00 0.00 O ATOM 1193 CB LEU A 77 4.442 3.938 -5.650 1.00 0.00 C ATOM 1194 CG LEU A 77 5.638 2.987 -5.686 1.00 0.00 C ATOM 1195 CD1 LEU A 77 6.302 3.016 -7.054 1.00 0.00 C ATOM 1196 CD2 LEU A 77 6.639 3.347 -4.598 1.00 0.00 C ATOM 0 H LEU A 77 2.224 4.802 -4.905 1.00 0.00 H new ATOM 0 HA LEU A 77 3.114 3.365 -7.240 1.00 0.00 H new ATOM 0 HB2 LEU A 77 4.684 4.817 -6.247 1.00 0.00 H new ATOM 0 HB3 LEU A 77 4.305 4.278 -4.624 1.00 0.00 H new ATOM 0 HG LEU A 77 5.278 1.975 -5.501 1.00 0.00 H new ATOM 0 HD11 LEU A 77 7.151 2.333 -7.061 1.00 0.00 H new ATOM 0 HD12 LEU A 77 5.583 2.709 -7.814 1.00 0.00 H new ATOM 0 HD13 LEU A 77 6.648 4.027 -7.269 1.00 0.00 H new ATOM 0 HD21 LEU A 77 7.484 2.659 -4.639 1.00 0.00 H new ATOM 0 HD22 LEU A 77 6.993 4.366 -4.752 1.00 0.00 H new ATOM 0 HD23 LEU A 77 6.158 3.274 -3.623 1.00 0.00 H new ATOM 1208 N VAL A 78 2.321 1.771 -4.504 1.00 0.00 N ATOM 1209 CA VAL A 78 2.097 0.449 -3.931 1.00 0.00 C ATOM 1210 C VAL A 78 1.280 -0.427 -4.874 1.00 0.00 C ATOM 1211 O VAL A 78 1.669 -1.553 -5.186 1.00 0.00 O ATOM 1212 CB VAL A 78 1.371 0.541 -2.576 1.00 0.00 C ATOM 1213 CG1 VAL A 78 0.873 -0.830 -2.143 1.00 0.00 C ATOM 1214 CG2 VAL A 78 2.287 1.142 -1.521 1.00 0.00 C ATOM 0 H VAL A 78 1.958 2.541 -3.943 1.00 0.00 H new ATOM 0 HA VAL A 78 3.078 -0.001 -3.780 1.00 0.00 H new ATOM 0 HB VAL A 78 0.507 1.196 -2.690 1.00 0.00 H new ATOM 0 HG11 VAL A 78 0.363 -0.745 -1.184 1.00 0.00 H new ATOM 0 HG12 VAL A 78 0.180 -1.218 -2.890 1.00 0.00 H new ATOM 0 HG13 VAL A 78 1.719 -1.510 -2.045 1.00 0.00 H new ATOM 0 HG21 VAL A 78 1.758 1.200 -0.570 1.00 0.00 H new ATOM 0 HG22 VAL A 78 3.171 0.515 -1.407 1.00 0.00 H new ATOM 0 HG23 VAL A 78 2.589 2.143 -1.829 1.00 0.00 H new ATOM 1224 N PHE A 79 0.146 0.097 -5.327 1.00 0.00 N ATOM 1225 CA PHE A 79 -0.727 -0.638 -6.235 1.00 0.00 C ATOM 1226 C PHE A 79 0.009 -1.002 -7.521 1.00 0.00 C ATOM 1227 O PHE A 79 -0.050 -2.142 -7.981 1.00 0.00 O ATOM 1228 CB PHE A 79 -1.971 0.190 -6.562 1.00 0.00 C ATOM 1229 CG PHE A 79 -2.621 0.800 -5.353 1.00 0.00 C ATOM 1230 CD1 PHE A 79 -2.764 0.069 -4.184 1.00 0.00 C ATOM 1231 CD2 PHE A 79 -3.088 2.104 -5.384 1.00 0.00 C ATOM 1232 CE1 PHE A 79 -3.362 0.627 -3.071 1.00 0.00 C ATOM 1233 CE2 PHE A 79 -3.687 2.668 -4.273 1.00 0.00 C ATOM 1234 CZ PHE A 79 -3.823 1.928 -3.115 1.00 0.00 C ATOM 0 H PHE A 79 -0.190 1.028 -5.080 1.00 0.00 H new ATOM 0 HA PHE A 79 -1.033 -1.559 -5.739 1.00 0.00 H new ATOM 0 HB2 PHE A 79 -1.697 0.984 -7.256 1.00 0.00 H new ATOM 0 HB3 PHE A 79 -2.696 -0.444 -7.073 1.00 0.00 H new ATOM 0 HD1 PHE A 79 -2.404 -0.948 -4.143 1.00 0.00 H new ATOM 0 HD2 PHE A 79 -2.983 2.687 -6.287 1.00 0.00 H new ATOM 0 HE1 PHE A 79 -3.469 0.046 -2.167 1.00 0.00 H new ATOM 0 HE2 PHE A 79 -4.048 3.685 -4.311 1.00 0.00 H new ATOM 0 HZ PHE A 79 -4.289 2.366 -2.245 1.00 0.00 H new ATOM 1244 N ASP A 80 0.699 -0.024 -8.097 1.00 0.00 N ATOM 1245 CA ASP A 80 1.447 -0.239 -9.330 1.00 0.00 C ATOM 1246 C ASP A 80 2.386 -1.435 -9.195 1.00 0.00 C ATOM 1247 O ASP A 80 2.240 -2.433 -9.898 1.00 0.00 O ATOM 1248 CB ASP A 80 2.246 1.013 -9.693 1.00 0.00 C ATOM 1249 CG ASP A 80 2.544 1.101 -11.177 1.00 0.00 C ATOM 1250 OD1 ASP A 80 1.706 0.638 -11.978 1.00 0.00 O ATOM 1251 OD2 ASP A 80 3.616 1.631 -11.537 1.00 0.00 O ATOM 0 H ASP A 80 0.756 0.926 -7.730 1.00 0.00 H new ATOM 0 HA ASP A 80 0.733 -0.448 -10.126 1.00 0.00 H new ATOM 0 HB2 ASP A 80 1.689 1.898 -9.384 1.00 0.00 H new ATOM 0 HB3 ASP A 80 3.183 1.016 -9.137 1.00 0.00 H new ATOM 1256 N ASN A 81 3.349 -1.324 -8.286 1.00 0.00 N ATOM 1257 CA ASN A 81 4.313 -2.395 -8.060 1.00 0.00 C ATOM 1258 C ASN A 81 3.658 -3.762 -8.236 1.00 0.00 C ATOM 1259 O ASN A 81 4.139 -4.598 -9.003 1.00 0.00 O ATOM 1260 CB ASN A 81 4.912 -2.282 -6.657 1.00 0.00 C ATOM 1261 CG ASN A 81 5.425 -0.886 -6.358 1.00 0.00 C ATOM 1262 OD1 ASN A 81 5.397 -0.005 -7.218 1.00 0.00 O ATOM 1263 ND2 ASN A 81 5.896 -0.679 -5.134 1.00 0.00 N ATOM 0 H ASN A 81 3.483 -0.504 -7.694 1.00 0.00 H new ATOM 0 HA ASN A 81 5.109 -2.295 -8.797 1.00 0.00 H new ATOM 0 HB2 ASN A 81 4.157 -2.554 -5.920 1.00 0.00 H new ATOM 0 HB3 ASN A 81 5.729 -2.996 -6.555 1.00 0.00 H new ATOM 0 HD21 ASN A 81 6.254 0.240 -4.874 1.00 0.00 H new ATOM 0 HD22 ASN A 81 5.900 -1.439 -4.454 1.00 0.00 H new ATOM 1270 N CYS A 82 2.559 -3.982 -7.523 1.00 0.00 N ATOM 1271 CA CYS A 82 1.838 -5.247 -7.600 1.00 0.00 C ATOM 1272 C CYS A 82 1.310 -5.487 -9.011 1.00 0.00 C ATOM 1273 O CYS A 82 1.625 -6.499 -9.638 1.00 0.00 O ATOM 1274 CB CYS A 82 0.680 -5.260 -6.601 1.00 0.00 C ATOM 1275 SG CYS A 82 -0.634 -6.433 -7.009 1.00 0.00 S ATOM 0 H CYS A 82 2.148 -3.301 -6.885 1.00 0.00 H new ATOM 0 HA CYS A 82 2.533 -6.048 -7.350 1.00 0.00 H new ATOM 0 HB2 CYS A 82 1.071 -5.498 -5.612 1.00 0.00 H new ATOM 0 HB3 CYS A 82 0.253 -4.259 -6.543 1.00 0.00 H new ATOM 0 HG CYS A 82 -1.566 -6.372 -6.105 1.00 0.00 H new ATOM 1281 N GLU A 83 0.505 -4.551 -9.504 1.00 0.00 N ATOM 1282 CA GLU A 83 -0.068 -4.663 -10.840 1.00 0.00 C ATOM 1283 C GLU A 83 1.013 -4.978 -11.870 1.00 0.00 C ATOM 1284 O GLU A 83 0.721 -5.456 -12.967 1.00 0.00 O ATOM 1285 CB GLU A 83 -0.789 -3.368 -11.220 1.00 0.00 C ATOM 1286 CG GLU A 83 -1.136 -3.276 -12.696 1.00 0.00 C ATOM 1287 CD GLU A 83 -2.213 -2.246 -12.979 1.00 0.00 C ATOM 1288 OE1 GLU A 83 -3.340 -2.410 -12.469 1.00 0.00 O ATOM 1289 OE2 GLU A 83 -1.926 -1.275 -13.710 1.00 0.00 O ATOM 0 H GLU A 83 0.235 -3.707 -8.998 1.00 0.00 H new ATOM 0 HA GLU A 83 -0.788 -5.482 -10.832 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -1.705 -3.286 -10.634 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -0.161 -2.519 -10.949 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -0.239 -3.023 -13.261 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -1.470 -4.252 -13.048 1.00 0.00 H new ATOM 1296 N THR A 84 2.263 -4.706 -11.510 1.00 0.00 N ATOM 1297 CA THR A 84 3.388 -4.958 -12.403 1.00 0.00 C ATOM 1298 C THR A 84 3.989 -6.336 -12.154 1.00 0.00 C ATOM 1299 O THR A 84 3.999 -7.190 -13.041 1.00 0.00 O ATOM 1300 CB THR A 84 4.488 -3.893 -12.235 1.00 0.00 C ATOM 1301 OG1 THR A 84 4.013 -2.622 -12.693 1.00 0.00 O ATOM 1302 CG2 THR A 84 5.739 -4.281 -13.008 1.00 0.00 C ATOM 0 H THR A 84 2.522 -4.311 -10.606 1.00 0.00 H new ATOM 0 HA THR A 84 3.000 -4.912 -13.421 1.00 0.00 H new ATOM 0 HB THR A 84 4.740 -3.826 -11.177 1.00 0.00 H new ATOM 0 HG1 THR A 84 4.717 -1.950 -12.581 1.00 0.00 H new ATOM 0 HG21 THR A 84 6.502 -3.514 -12.874 1.00 0.00 H new ATOM 0 HG22 THR A 84 6.115 -5.235 -12.637 1.00 0.00 H new ATOM 0 HG23 THR A 84 5.498 -4.373 -14.067 1.00 0.00 H new ATOM 1310 N PHE A 85 4.490 -6.548 -10.941 1.00 0.00 N ATOM 1311 CA PHE A 85 5.094 -7.824 -10.576 1.00 0.00 C ATOM 1312 C PHE A 85 4.066 -8.951 -10.641 1.00 0.00 C ATOM 1313 O PHE A 85 4.299 -9.981 -11.271 1.00 0.00 O ATOM 1314 CB PHE A 85 5.692 -7.745 -9.170 1.00 0.00 C ATOM 1315 CG PHE A 85 6.502 -8.953 -8.794 1.00 0.00 C ATOM 1316 CD1 PHE A 85 7.784 -9.126 -9.290 1.00 0.00 C ATOM 1317 CD2 PHE A 85 5.981 -9.916 -7.945 1.00 0.00 C ATOM 1318 CE1 PHE A 85 8.532 -10.236 -8.947 1.00 0.00 C ATOM 1319 CE2 PHE A 85 6.724 -11.028 -7.597 1.00 0.00 C ATOM 1320 CZ PHE A 85 8.001 -11.189 -8.100 1.00 0.00 C ATOM 0 H PHE A 85 4.490 -5.853 -10.195 1.00 0.00 H new ATOM 0 HA PHE A 85 5.889 -8.039 -11.290 1.00 0.00 H new ATOM 0 HB2 PHE A 85 6.323 -6.859 -9.101 1.00 0.00 H new ATOM 0 HB3 PHE A 85 4.886 -7.619 -8.447 1.00 0.00 H new ATOM 0 HD1 PHE A 85 8.204 -8.384 -9.953 1.00 0.00 H new ATOM 0 HD2 PHE A 85 4.983 -9.796 -7.551 1.00 0.00 H new ATOM 0 HE1 PHE A 85 9.530 -10.358 -9.341 1.00 0.00 H new ATOM 0 HE2 PHE A 85 6.307 -11.770 -6.933 1.00 0.00 H new ATOM 0 HZ PHE A 85 8.583 -12.058 -7.831 1.00 0.00 H new ATOM 1330 N ASN A 86 2.929 -8.745 -9.984 1.00 0.00 N ATOM 1331 CA ASN A 86 1.866 -9.744 -9.965 1.00 0.00 C ATOM 1332 C ASN A 86 1.022 -9.662 -11.234 1.00 0.00 C ATOM 1333 O ASN A 86 1.077 -8.674 -11.965 1.00 0.00 O ATOM 1334 CB ASN A 86 0.978 -9.550 -8.735 1.00 0.00 C ATOM 1335 CG ASN A 86 1.675 -9.952 -7.449 1.00 0.00 C ATOM 1336 OD1 ASN A 86 1.676 -11.123 -7.070 1.00 0.00 O ATOM 1337 ND2 ASN A 86 2.273 -8.978 -6.772 1.00 0.00 N ATOM 0 H ASN A 86 2.720 -7.896 -9.458 1.00 0.00 H new ATOM 0 HA ASN A 86 2.328 -10.730 -9.919 1.00 0.00 H new ATOM 0 HB2 ASN A 86 0.676 -8.505 -8.670 1.00 0.00 H new ATOM 0 HB3 ASN A 86 0.068 -10.138 -8.851 1.00 0.00 H new ATOM 0 HD21 ASN A 86 2.759 -9.187 -5.900 1.00 0.00 H new ATOM 0 HD22 ASN A 86 2.246 -8.021 -7.124 1.00 0.00 H new ATOM 1383 N SER A 90 -3.384 -13.859 -11.037 1.00 0.00 N ATOM 1384 CA SER A 90 -2.992 -14.255 -9.690 1.00 0.00 C ATOM 1385 C SER A 90 -3.892 -13.597 -8.647 1.00 0.00 C ATOM 1386 O SER A 90 -4.680 -12.706 -8.965 1.00 0.00 O ATOM 1387 CB SER A 90 -1.532 -13.880 -9.429 1.00 0.00 C ATOM 1388 OG SER A 90 -1.425 -12.552 -8.948 1.00 0.00 O ATOM 0 HA SER A 90 -3.101 -15.337 -9.610 1.00 0.00 H new ATOM 0 HB2 SER A 90 -1.101 -14.569 -8.703 1.00 0.00 H new ATOM 0 HB3 SER A 90 -0.956 -13.985 -10.349 1.00 0.00 H new ATOM 0 HG SER A 90 -1.008 -12.558 -8.061 1.00 0.00 H new ATOM 1394 N ASP A 91 -3.768 -14.043 -7.402 1.00 0.00 N ATOM 1395 CA ASP A 91 -4.568 -13.498 -6.312 1.00 0.00 C ATOM 1396 C ASP A 91 -4.172 -12.054 -6.016 1.00 0.00 C ATOM 1397 O ASP A 91 -5.007 -11.150 -6.060 1.00 0.00 O ATOM 1398 CB ASP A 91 -4.404 -14.352 -5.054 1.00 0.00 C ATOM 1399 CG ASP A 91 -5.026 -15.726 -5.202 1.00 0.00 C ATOM 1400 OD1 ASP A 91 -6.259 -15.839 -5.039 1.00 0.00 O ATOM 1401 OD2 ASP A 91 -4.281 -16.689 -5.480 1.00 0.00 O ATOM 0 H ASP A 91 -3.121 -14.780 -7.123 1.00 0.00 H new ATOM 0 HA ASP A 91 -5.614 -13.514 -6.619 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -3.343 -14.459 -4.827 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -4.861 -13.839 -4.208 1.00 0.00 H new ATOM 1406 N ILE A 92 -2.895 -11.846 -5.715 1.00 0.00 N ATOM 1407 CA ILE A 92 -2.390 -10.513 -5.412 1.00 0.00 C ATOM 1408 C ILE A 92 -2.663 -9.548 -6.561 1.00 0.00 C ATOM 1409 O ILE A 92 -3.119 -8.425 -6.347 1.00 0.00 O ATOM 1410 CB ILE A 92 -0.877 -10.536 -5.124 1.00 0.00 C ATOM 1411 CG1 ILE A 92 -0.604 -11.187 -3.767 1.00 0.00 C ATOM 1412 CG2 ILE A 92 -0.308 -9.126 -5.165 1.00 0.00 C ATOM 1413 CD1 ILE A 92 0.858 -11.182 -3.377 1.00 0.00 C ATOM 0 H ILE A 92 -2.191 -12.583 -5.674 1.00 0.00 H new ATOM 0 HA ILE A 92 -2.916 -10.171 -4.521 1.00 0.00 H new ATOM 0 HB ILE A 92 -0.385 -11.128 -5.896 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -1.178 -10.665 -3.001 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -0.962 -12.216 -3.788 1.00 0.00 H new ATOM 0 HG21 ILE A 92 0.762 -9.159 -4.960 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -0.475 -8.695 -6.152 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -0.803 -8.512 -4.413 1.00 0.00 H new ATOM 0 HD11 ILE A 92 0.977 -11.659 -2.404 1.00 0.00 H new ATOM 0 HD12 ILE A 92 1.435 -11.729 -4.122 1.00 0.00 H new ATOM 0 HD13 ILE A 92 1.217 -10.154 -3.323 1.00 0.00 H new ATOM 1425 N GLY A 93 -2.381 -9.994 -7.781 1.00 0.00 N ATOM 1426 CA GLY A 93 -2.604 -9.159 -8.947 1.00 0.00 C ATOM 1427 C GLY A 93 -3.953 -8.468 -8.915 1.00 0.00 C ATOM 1428 O GLY A 93 -4.029 -7.239 -8.910 1.00 0.00 O ATOM 0 H GLY A 93 -2.002 -10.919 -7.983 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -1.816 -8.408 -9.009 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -2.533 -9.770 -9.847 1.00 0.00 H new ATOM 1432 N ARG A 94 -5.021 -9.259 -8.896 1.00 0.00 N ATOM 1433 CA ARG A 94 -6.374 -8.715 -8.868 1.00 0.00 C ATOM 1434 C ARG A 94 -6.534 -7.714 -7.728 1.00 0.00 C ATOM 1435 O ARG A 94 -7.040 -6.610 -7.925 1.00 0.00 O ATOM 1436 CB ARG A 94 -7.396 -9.843 -8.717 1.00 0.00 C ATOM 1437 CG ARG A 94 -7.367 -10.848 -9.858 1.00 0.00 C ATOM 1438 CD ARG A 94 -8.671 -11.624 -9.950 1.00 0.00 C ATOM 1439 NE ARG A 94 -9.689 -10.898 -10.705 1.00 0.00 N ATOM 1440 CZ ARG A 94 -10.994 -11.094 -10.557 1.00 0.00 C ATOM 1441 NH1 ARG A 94 -11.438 -11.990 -9.686 1.00 0.00 N ATOM 1442 NH2 ARG A 94 -11.858 -10.394 -11.280 1.00 0.00 N ATOM 0 H ARG A 94 -4.976 -10.278 -8.899 1.00 0.00 H new ATOM 0 HA ARG A 94 -6.550 -8.197 -9.811 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -7.211 -10.366 -7.779 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -8.394 -9.411 -8.650 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -7.185 -10.327 -10.798 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -6.539 -11.542 -9.712 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -8.486 -12.588 -10.425 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -9.042 -11.829 -8.946 1.00 0.00 H new ATOM 0 HE ARG A 94 -9.380 -10.202 -11.384 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -10.777 -12.530 -9.128 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -12.441 -12.139 -9.574 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -11.520 -9.704 -11.951 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -12.860 -10.546 -11.165 1.00 0.00 H new ATOM 1456 N ALA A 95 -6.100 -8.108 -6.535 1.00 0.00 N ATOM 1457 CA ALA A 95 -6.193 -7.245 -5.364 1.00 0.00 C ATOM 1458 C ALA A 95 -5.744 -5.826 -5.691 1.00 0.00 C ATOM 1459 O ALA A 95 -6.353 -4.853 -5.247 1.00 0.00 O ATOM 1460 CB ALA A 95 -5.364 -7.814 -4.222 1.00 0.00 C ATOM 0 H ALA A 95 -5.680 -9.020 -6.354 1.00 0.00 H new ATOM 0 HA ALA A 95 -7.237 -7.205 -5.055 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -5.443 -7.159 -3.354 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -5.734 -8.806 -3.963 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -4.321 -7.885 -4.530 1.00 0.00 H new ATOM 1466 N GLY A 96 -4.672 -5.714 -6.471 1.00 0.00 N ATOM 1467 CA GLY A 96 -4.159 -4.408 -6.843 1.00 0.00 C ATOM 1468 C GLY A 96 -5.197 -3.555 -7.544 1.00 0.00 C ATOM 1469 O GLY A 96 -5.280 -2.349 -7.312 1.00 0.00 O ATOM 0 H GLY A 96 -4.150 -6.504 -6.851 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -3.811 -3.890 -5.949 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -3.295 -4.533 -7.496 1.00 0.00 H new ATOM 1473 N HIS A 97 -5.992 -4.182 -8.406 1.00 0.00 N ATOM 1474 CA HIS A 97 -7.030 -3.472 -9.144 1.00 0.00 C ATOM 1475 C HIS A 97 -8.069 -2.886 -8.193 1.00 0.00 C ATOM 1476 O HIS A 97 -8.414 -1.708 -8.285 1.00 0.00 O ATOM 1477 CB HIS A 97 -7.708 -4.411 -10.143 1.00 0.00 C ATOM 1478 CG HIS A 97 -6.816 -4.832 -11.270 1.00 0.00 C ATOM 1479 ND1 HIS A 97 -6.776 -4.178 -12.483 1.00 0.00 N ATOM 1480 CD2 HIS A 97 -5.926 -5.848 -11.362 1.00 0.00 C ATOM 1481 CE1 HIS A 97 -5.901 -4.774 -13.273 1.00 0.00 C ATOM 1482 NE2 HIS A 97 -5.370 -5.790 -12.616 1.00 0.00 N ATOM 0 H HIS A 97 -5.937 -5.180 -8.610 1.00 0.00 H new ATOM 0 HA HIS A 97 -6.559 -2.653 -9.688 1.00 0.00 H new ATOM 0 HB2 HIS A 97 -8.057 -5.299 -9.615 1.00 0.00 H new ATOM 0 HB3 HIS A 97 -8.589 -3.917 -10.553 1.00 0.00 H new ATOM 0 HD2 HIS A 97 -5.696 -6.570 -10.592 1.00 0.00 H new ATOM 0 HE1 HIS A 97 -5.660 -4.481 -14.284 1.00 0.00 H new ATOM 0 HE2 HIS A 97 -4.662 -6.427 -12.981 1.00 0.00 H new ATOM 1490 N ASN A 98 -8.565 -3.716 -7.281 1.00 0.00 N ATOM 1491 CA ASN A 98 -9.566 -3.279 -6.314 1.00 0.00 C ATOM 1492 C ASN A 98 -9.004 -2.191 -5.404 1.00 0.00 C ATOM 1493 O ASN A 98 -9.725 -1.286 -4.984 1.00 0.00 O ATOM 1494 CB ASN A 98 -10.045 -4.465 -5.475 1.00 0.00 C ATOM 1495 CG ASN A 98 -11.078 -5.306 -6.199 1.00 0.00 C ATOM 1496 OD1 ASN A 98 -11.804 -4.811 -7.061 1.00 0.00 O ATOM 1497 ND2 ASN A 98 -11.149 -6.586 -5.851 1.00 0.00 N ATOM 0 H ASN A 98 -8.290 -4.694 -7.191 1.00 0.00 H new ATOM 0 HA ASN A 98 -10.412 -2.866 -6.864 1.00 0.00 H new ATOM 0 HB2 ASN A 98 -9.191 -5.090 -5.213 1.00 0.00 H new ATOM 0 HB3 ASN A 98 -10.470 -4.098 -4.541 1.00 0.00 H new ATOM 0 HD21 ASN A 98 -11.825 -7.201 -6.304 1.00 0.00 H new ATOM 0 HD22 ASN A 98 -10.527 -6.954 -5.131 1.00 0.00 H new ATOM 1504 N MET A 99 -7.713 -2.287 -5.103 1.00 0.00 N ATOM 1505 CA MET A 99 -7.055 -1.310 -4.244 1.00 0.00 C ATOM 1506 C MET A 99 -6.976 0.051 -4.929 1.00 0.00 C ATOM 1507 O MET A 99 -7.453 1.053 -4.396 1.00 0.00 O ATOM 1508 CB MET A 99 -5.650 -1.790 -3.873 1.00 0.00 C ATOM 1509 CG MET A 99 -5.606 -2.609 -2.594 1.00 0.00 C ATOM 1510 SD MET A 99 -5.283 -1.601 -1.134 1.00 0.00 S ATOM 1511 CE MET A 99 -6.933 -1.017 -0.755 1.00 0.00 C ATOM 0 H MET A 99 -7.102 -3.031 -5.441 1.00 0.00 H new ATOM 0 HA MET A 99 -7.647 -1.205 -3.335 1.00 0.00 H new ATOM 0 HB2 MET A 99 -5.251 -2.389 -4.692 1.00 0.00 H new ATOM 0 HB3 MET A 99 -4.996 -0.925 -3.763 1.00 0.00 H new ATOM 0 HG2 MET A 99 -6.555 -3.130 -2.468 1.00 0.00 H new ATOM 0 HG3 MET A 99 -4.833 -3.372 -2.682 1.00 0.00 H new ATOM 0 HE1 MET A 99 -7.090 -1.044 0.323 1.00 0.00 H new ATOM 0 HE2 MET A 99 -7.048 0.006 -1.113 1.00 0.00 H new ATOM 0 HE3 MET A 99 -7.667 -1.657 -1.244 1.00 0.00 H new ATOM 1521 N ARG A 100 -6.370 0.078 -6.112 1.00 0.00 N ATOM 1522 CA ARG A 100 -6.228 1.317 -6.868 1.00 0.00 C ATOM 1523 C ARG A 100 -7.548 2.081 -6.913 1.00 0.00 C ATOM 1524 O ARG A 100 -7.591 3.282 -6.647 1.00 0.00 O ATOM 1525 CB ARG A 100 -5.751 1.018 -8.291 1.00 0.00 C ATOM 1526 CG ARG A 100 -5.783 2.228 -9.211 1.00 0.00 C ATOM 1527 CD ARG A 100 -5.747 1.816 -10.674 1.00 0.00 C ATOM 1528 NE ARG A 100 -4.381 1.693 -11.175 1.00 0.00 N ATOM 1529 CZ ARG A 100 -3.620 2.733 -11.496 1.00 0.00 C ATOM 1530 NH1 ARG A 100 -4.089 3.967 -11.370 1.00 0.00 N ATOM 1531 NH2 ARG A 100 -2.386 2.541 -11.945 1.00 0.00 N ATOM 0 H ARG A 100 -5.970 -0.743 -6.567 1.00 0.00 H new ATOM 0 HA ARG A 100 -5.486 1.937 -6.365 1.00 0.00 H new ATOM 0 HB2 ARG A 100 -4.733 0.630 -8.250 1.00 0.00 H new ATOM 0 HB3 ARG A 100 -6.375 0.232 -8.717 1.00 0.00 H new ATOM 0 HG2 ARG A 100 -6.684 2.810 -9.018 1.00 0.00 H new ATOM 0 HG3 ARG A 100 -4.933 2.875 -8.993 1.00 0.00 H new ATOM 0 HD2 ARG A 100 -6.265 0.864 -10.795 1.00 0.00 H new ATOM 0 HD3 ARG A 100 -6.287 2.551 -11.271 1.00 0.00 H new ATOM 0 HE ARG A 100 -3.990 0.757 -11.284 1.00 0.00 H new ATOM 0 HH11 ARG A 100 -5.037 4.120 -11.026 1.00 0.00 H new ATOM 0 HH12 ARG A 100 -3.502 4.763 -11.617 1.00 0.00 H new ATOM 0 HH21 ARG A 100 -2.021 1.594 -12.044 1.00 0.00 H new ATOM 0 HH22 ARG A 100 -1.803 3.341 -12.191 1.00 0.00 H new ATOM 1545 N LYS A 101 -8.622 1.377 -7.252 1.00 0.00 N ATOM 1546 CA LYS A 101 -9.944 1.987 -7.332 1.00 0.00 C ATOM 1547 C LYS A 101 -10.439 2.395 -5.948 1.00 0.00 C ATOM 1548 O LYS A 101 -11.338 3.227 -5.819 1.00 0.00 O ATOM 1549 CB LYS A 101 -10.938 1.019 -7.976 1.00 0.00 C ATOM 1550 CG LYS A 101 -11.350 -0.125 -7.065 1.00 0.00 C ATOM 1551 CD LYS A 101 -12.699 -0.699 -7.465 1.00 0.00 C ATOM 1552 CE LYS A 101 -12.565 -1.685 -8.616 1.00 0.00 C ATOM 1553 NZ LYS A 101 -13.866 -1.912 -9.305 1.00 0.00 N ATOM 0 H LYS A 101 -8.603 0.382 -7.476 1.00 0.00 H new ATOM 0 HA LYS A 101 -9.867 2.882 -7.950 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -11.828 1.572 -8.276 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -10.496 0.608 -8.884 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -10.595 -0.910 -7.101 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -11.395 0.227 -6.035 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -13.152 -1.197 -6.608 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -13.369 0.111 -7.754 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -11.835 -1.310 -9.333 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -12.183 -2.634 -8.239 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -13.733 -2.589 -10.083 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -14.556 -2.294 -8.627 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -14.218 -1.011 -9.687 1.00 0.00 H new ATOM 1567 N TYR A 102 -9.847 1.806 -4.915 1.00 0.00 N ATOM 1568 CA TYR A 102 -10.228 2.107 -3.541 1.00 0.00 C ATOM 1569 C TYR A 102 -9.570 3.398 -3.063 1.00 0.00 C ATOM 1570 O TYR A 102 -10.212 4.241 -2.437 1.00 0.00 O ATOM 1571 CB TYR A 102 -9.841 0.952 -2.616 1.00 0.00 C ATOM 1572 CG TYR A 102 -10.484 1.027 -1.250 1.00 0.00 C ATOM 1573 CD1 TYR A 102 -10.178 2.060 -0.373 1.00 0.00 C ATOM 1574 CD2 TYR A 102 -11.398 0.066 -0.837 1.00 0.00 C ATOM 1575 CE1 TYR A 102 -10.763 2.132 0.877 1.00 0.00 C ATOM 1576 CE2 TYR A 102 -11.989 0.131 0.410 1.00 0.00 C ATOM 1577 CZ TYR A 102 -11.668 1.166 1.263 1.00 0.00 C ATOM 1578 OH TYR A 102 -12.254 1.235 2.507 1.00 0.00 O ATOM 0 H TYR A 102 -9.101 1.117 -5.004 1.00 0.00 H new ATOM 0 HA TYR A 102 -11.310 2.239 -3.513 1.00 0.00 H new ATOM 0 HB2 TYR A 102 -10.121 0.010 -3.088 1.00 0.00 H new ATOM 0 HB3 TYR A 102 -8.757 0.940 -2.498 1.00 0.00 H new ATOM 0 HD1 TYR A 102 -9.471 2.819 -0.673 1.00 0.00 H new ATOM 0 HD2 TYR A 102 -11.651 -0.746 -1.502 1.00 0.00 H new ATOM 0 HE1 TYR A 102 -10.513 2.941 1.548 1.00 0.00 H new ATOM 0 HE2 TYR A 102 -12.698 -0.624 0.715 1.00 0.00 H new ATOM 0 HH TYR A 102 -12.868 0.480 2.622 1.00 0.00 H new ATOM 1588 N PHE A 103 -8.284 3.545 -3.364 1.00 0.00 N ATOM 1589 CA PHE A 103 -7.537 4.733 -2.966 1.00 0.00 C ATOM 1590 C PHE A 103 -8.122 5.985 -3.612 1.00 0.00 C ATOM 1591 O PHE A 103 -8.188 7.044 -2.989 1.00 0.00 O ATOM 1592 CB PHE A 103 -6.063 4.587 -3.352 1.00 0.00 C ATOM 1593 CG PHE A 103 -5.211 5.743 -2.913 1.00 0.00 C ATOM 1594 CD1 PHE A 103 -5.074 6.048 -1.568 1.00 0.00 C ATOM 1595 CD2 PHE A 103 -4.549 6.526 -3.844 1.00 0.00 C ATOM 1596 CE1 PHE A 103 -4.290 7.111 -1.160 1.00 0.00 C ATOM 1597 CE2 PHE A 103 -3.763 7.590 -3.442 1.00 0.00 C ATOM 1598 CZ PHE A 103 -3.635 7.883 -2.099 1.00 0.00 C ATOM 0 H PHE A 103 -7.738 2.857 -3.882 1.00 0.00 H new ATOM 0 HA PHE A 103 -7.614 4.835 -1.883 1.00 0.00 H new ATOM 0 HB2 PHE A 103 -5.670 3.670 -2.914 1.00 0.00 H new ATOM 0 HB3 PHE A 103 -5.988 4.481 -4.434 1.00 0.00 H new ATOM 0 HD1 PHE A 103 -5.586 5.448 -0.830 1.00 0.00 H new ATOM 0 HD2 PHE A 103 -4.648 6.303 -4.896 1.00 0.00 H new ATOM 0 HE1 PHE A 103 -4.190 7.337 -0.109 1.00 0.00 H new ATOM 0 HE2 PHE A 103 -3.250 8.191 -4.178 1.00 0.00 H new ATOM 0 HZ PHE A 103 -3.023 8.715 -1.783 1.00 0.00 H new ATOM 1608 N GLU A 104 -8.544 5.855 -4.866 1.00 0.00 N ATOM 1609 CA GLU A 104 -9.122 6.977 -5.597 1.00 0.00 C ATOM 1610 C GLU A 104 -10.494 7.342 -5.037 1.00 0.00 C ATOM 1611 O GLU A 104 -10.724 8.476 -4.616 1.00 0.00 O ATOM 1612 CB GLU A 104 -9.239 6.639 -7.084 1.00 0.00 C ATOM 1613 CG GLU A 104 -7.918 6.255 -7.728 1.00 0.00 C ATOM 1614 CD GLU A 104 -8.071 5.851 -9.181 1.00 0.00 C ATOM 1615 OE1 GLU A 104 -8.316 6.743 -10.021 1.00 0.00 O ATOM 1616 OE2 GLU A 104 -7.948 4.645 -9.479 1.00 0.00 O ATOM 0 H GLU A 104 -8.497 4.985 -5.396 1.00 0.00 H new ATOM 0 HA GLU A 104 -8.460 7.835 -5.478 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -9.945 5.818 -7.207 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -9.654 7.498 -7.611 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -7.227 7.095 -7.660 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -7.473 5.431 -7.171 1.00 0.00 H new ATOM 1623 N LYS A 105 -11.403 6.373 -5.036 1.00 0.00 N ATOM 1624 CA LYS A 105 -12.752 6.590 -4.528 1.00 0.00 C ATOM 1625 C LYS A 105 -12.716 7.179 -3.121 1.00 0.00 C ATOM 1626 O LYS A 105 -13.477 8.091 -2.800 1.00 0.00 O ATOM 1627 CB LYS A 105 -13.534 5.274 -4.522 1.00 0.00 C ATOM 1628 CG LYS A 105 -15.040 5.462 -4.460 1.00 0.00 C ATOM 1629 CD LYS A 105 -15.508 5.759 -3.045 1.00 0.00 C ATOM 1630 CE LYS A 105 -17.019 5.642 -2.921 1.00 0.00 C ATOM 1631 NZ LYS A 105 -17.516 6.207 -1.636 1.00 0.00 N ATOM 0 H LYS A 105 -11.230 5.429 -5.382 1.00 0.00 H new ATOM 0 HA LYS A 105 -13.252 7.300 -5.187 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -13.284 4.708 -5.419 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -13.215 4.676 -3.668 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -15.333 6.279 -5.120 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -15.535 4.563 -4.827 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -15.030 5.068 -2.350 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -15.195 6.764 -2.761 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -17.493 6.162 -3.754 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -17.309 4.594 -2.993 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -18.550 6.108 -1.590 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -17.084 5.694 -0.841 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -17.262 7.214 -1.578 1.00 0.00 H new ATOM 1645 N LYS A 106 -11.826 6.652 -2.287 1.00 0.00 N ATOM 1646 CA LYS A 106 -11.689 7.127 -0.915 1.00 0.00 C ATOM 1647 C LYS A 106 -10.991 8.483 -0.877 1.00 0.00 C ATOM 1648 O LYS A 106 -11.529 9.453 -0.342 1.00 0.00 O ATOM 1649 CB LYS A 106 -10.903 6.114 -0.080 1.00 0.00 C ATOM 1650 CG LYS A 106 -10.596 6.595 1.328 1.00 0.00 C ATOM 1651 CD LYS A 106 -11.862 6.747 2.154 1.00 0.00 C ATOM 1652 CE LYS A 106 -11.582 7.434 3.482 1.00 0.00 C ATOM 1653 NZ LYS A 106 -12.809 8.052 4.056 1.00 0.00 N ATOM 0 H LYS A 106 -11.189 5.896 -2.537 1.00 0.00 H new ATOM 0 HA LYS A 106 -12.688 7.240 -0.494 1.00 0.00 H new ATOM 0 HB2 LYS A 106 -11.470 5.185 -0.022 1.00 0.00 H new ATOM 0 HB3 LYS A 106 -9.967 5.885 -0.589 1.00 0.00 H new ATOM 0 HG2 LYS A 106 -9.925 5.889 1.816 1.00 0.00 H new ATOM 0 HG3 LYS A 106 -10.074 7.551 1.281 1.00 0.00 H new ATOM 0 HD2 LYS A 106 -12.597 7.324 1.593 1.00 0.00 H new ATOM 0 HD3 LYS A 106 -12.299 5.765 2.336 1.00 0.00 H new ATOM 0 HE2 LYS A 106 -11.176 6.709 4.188 1.00 0.00 H new ATOM 0 HE3 LYS A 106 -10.821 8.201 3.341 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 -12.577 8.510 4.960 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 -13.182 8.762 3.394 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 -13.527 7.316 4.215 1.00 0.00 H new ATOM 1667 N TRP A 107 -9.794 8.544 -1.447 1.00 0.00 N ATOM 1668 CA TRP A 107 -9.024 9.782 -1.479 1.00 0.00 C ATOM 1669 C TRP A 107 -9.854 10.924 -2.055 1.00 0.00 C ATOM 1670 O TRP A 107 -10.093 11.931 -1.386 1.00 0.00 O ATOM 1671 CB TRP A 107 -7.750 9.595 -2.305 1.00 0.00 C ATOM 1672 CG TRP A 107 -6.816 10.764 -2.229 1.00 0.00 C ATOM 1673 CD1 TRP A 107 -6.810 11.863 -3.039 1.00 0.00 C ATOM 1674 CD2 TRP A 107 -5.749 10.948 -1.292 1.00 0.00 C ATOM 1675 NE1 TRP A 107 -5.804 12.720 -2.663 1.00 0.00 N ATOM 1676 CE2 TRP A 107 -5.139 12.182 -1.592 1.00 0.00 C ATOM 1677 CE3 TRP A 107 -5.251 10.193 -0.226 1.00 0.00 C ATOM 1678 CZ2 TRP A 107 -4.058 12.674 -0.867 1.00 0.00 C ATOM 1679 CZ3 TRP A 107 -4.177 10.682 0.493 1.00 0.00 C ATOM 1680 CH2 TRP A 107 -3.590 11.913 0.171 1.00 0.00 C ATOM 0 H TRP A 107 -9.335 7.750 -1.894 1.00 0.00 H new ATOM 0 HA TRP A 107 -8.750 10.036 -0.455 1.00 0.00 H new ATOM 0 HB2 TRP A 107 -7.230 8.701 -1.961 1.00 0.00 H new ATOM 0 HB3 TRP A 107 -8.023 9.424 -3.346 1.00 0.00 H new ATOM 0 HD1 TRP A 107 -7.496 12.034 -3.856 1.00 0.00 H new ATOM 0 HE1 TRP A 107 -5.587 13.612 -3.108 1.00 0.00 H new ATOM 0 HE3 TRP A 107 -5.698 9.244 0.031 1.00 0.00 H new ATOM 0 HZ2 TRP A 107 -3.604 13.622 -1.114 1.00 0.00 H new ATOM 0 HZ3 TRP A 107 -3.783 10.106 1.317 1.00 0.00 H new ATOM 0 HH2 TRP A 107 -2.752 12.269 0.753 1.00 0.00 H new ATOM 1691 N THR A 108 -10.293 10.763 -3.299 1.00 0.00 N ATOM 1692 CA THR A 108 -11.095 11.781 -3.965 1.00 0.00 C ATOM 1693 C THR A 108 -12.169 12.331 -3.033 1.00 0.00 C ATOM 1694 O THR A 108 -12.495 13.517 -3.078 1.00 0.00 O ATOM 1695 CB THR A 108 -11.769 11.225 -5.234 1.00 0.00 C ATOM 1696 OG1 THR A 108 -12.472 12.270 -5.914 1.00 0.00 O ATOM 1697 CG2 THR A 108 -12.733 10.101 -4.886 1.00 0.00 C ATOM 0 H THR A 108 -10.106 9.936 -3.866 1.00 0.00 H new ATOM 0 HA THR A 108 -10.415 12.585 -4.246 1.00 0.00 H new ATOM 0 HB THR A 108 -10.992 10.827 -5.887 1.00 0.00 H new ATOM 0 HG1 THR A 108 -12.896 11.908 -6.720 1.00 0.00 H new ATOM 0 HG21 THR A 108 -13.197 9.724 -5.798 1.00 0.00 H new ATOM 0 HG22 THR A 108 -12.189 9.294 -4.395 1.00 0.00 H new ATOM 0 HG23 THR A 108 -13.505 10.478 -4.215 1.00 0.00 H new ATOM 1705 N ASP A 109 -12.714 11.462 -2.189 1.00 0.00 N ATOM 1706 CA ASP A 109 -13.751 11.862 -1.244 1.00 0.00 C ATOM 1707 C ASP A 109 -13.142 12.566 -0.036 1.00 0.00 C ATOM 1708 O ASP A 109 -13.784 13.406 0.596 1.00 0.00 O ATOM 1709 CB ASP A 109 -14.554 10.642 -0.789 1.00 0.00 C ATOM 1710 CG ASP A 109 -15.928 11.014 -0.270 1.00 0.00 C ATOM 1711 OD1 ASP A 109 -16.056 12.088 0.356 1.00 0.00 O ATOM 1712 OD2 ASP A 109 -16.877 10.233 -0.490 1.00 0.00 O ATOM 0 H ASP A 109 -12.455 10.477 -2.140 1.00 0.00 H new ATOM 0 HA ASP A 109 -14.420 12.559 -1.749 1.00 0.00 H new ATOM 0 HB2 ASP A 109 -14.660 9.948 -1.623 1.00 0.00 H new ATOM 0 HB3 ASP A 109 -14.003 10.119 -0.007 1.00 0.00 H new ATOM 1717 N THR A 110 -11.900 12.217 0.283 1.00 0.00 N ATOM 1718 CA THR A 110 -11.205 12.813 1.417 1.00 0.00 C ATOM 1719 C THR A 110 -10.973 14.303 1.197 1.00 0.00 C ATOM 1720 O THR A 110 -11.434 15.135 1.979 1.00 0.00 O ATOM 1721 CB THR A 110 -9.850 12.125 1.670 1.00 0.00 C ATOM 1722 OG1 THR A 110 -10.050 10.734 1.946 1.00 0.00 O ATOM 1723 CG2 THR A 110 -9.121 12.779 2.835 1.00 0.00 C ATOM 0 H THR A 110 -11.354 11.524 -0.229 1.00 0.00 H new ATOM 0 HA THR A 110 -11.843 12.672 2.289 1.00 0.00 H new ATOM 0 HB THR A 110 -9.240 12.232 0.773 1.00 0.00 H new ATOM 0 HG1 THR A 110 -10.505 10.312 1.187 1.00 0.00 H new ATOM 0 HG21 THR A 110 -8.167 12.277 2.995 1.00 0.00 H new ATOM 0 HG22 THR A 110 -8.944 13.831 2.609 1.00 0.00 H new ATOM 0 HG23 THR A 110 -9.729 12.699 3.736 1.00 0.00 H new