USER MOD reduce.3.24.130724 H: found=0, std=0, add=802, rem=0, adj=27 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 106 LYS NZ :NH3+ 173:sc= 1 (180deg=0) USER MOD Set 1.2: A 110 THR OG1 : rot 67:sc= 1.01 USER MOD Set 2.1: A 98 ASN : amide:sc= 0.946 K(o=2.2,f=-1.9!) USER MOD Set 2.2: A 101 LYS NZ :NH3+ -177:sc= 1.21 (180deg=1.12) USER MOD Set 3.1: A 51 MET CE :methyl 174:sc= -0.24 (180deg=-0.535) USER MOD Set 3.2: A 59 LYS NZ :NH3+ -115:sc= -0.0277 (180deg=0) USER MOD Set 4.1: A 36 ASN : amide:sc= -2.6! C(o=-2.9!,f=-17!) USER MOD Set 4.2: A 38 LYS NZ :NH3+ 167:sc= -0.287 (180deg=-0.836) USER MOD Single : A 10 LYS NZ :NH3+ -158:sc= -0.046 (180deg=-0.432) USER MOD Single : A 15 CYS SG : rot -107:sc= -2.48 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 17 MET CE :methyl -161:sc= 0 (180deg=-1.19) USER MOD Single : A 20 THR OG1 : rot 73:sc= 0.445 USER MOD Single : A 22 MET CE :methyl -178:sc= -0.367 (180deg=-0.413) USER MOD Single : A 24 THR OG1 : rot -0:sc= 0.905 USER MOD Single : A 25 HIS : no HD1:sc= -0.111 K(o=-0.11,f=-1.3) USER MOD Single : A 43 TYR OH : rot 180:sc= -0.228 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 THR OG1 : rot 180:sc= -0.0637 USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 62 SER OG : rot 83:sc= 1.18 USER MOD Single : A 64 GLN : amide:sc= -2.55! C(o=-2.5!,f=-5.7!) USER MOD Single : A 65 TYR OH : rot 5:sc= -1.7! USER MOD Single : A 67 ASN :FLIP amide:sc= 0 F(o=-0.59,f=0) USER MOD Single : A 70 THR OG1 : rot -70:sc= -0.913 USER MOD Single : A 81 ASN : amide:sc= -2.76 K(o=-2.8,f=-14!) USER MOD Single : A 82 CYS SG : rot 157:sc= 0.202 USER MOD Single : A 84 THR OG1 : rot 77:sc= 0.867 USER MOD Single : A 86 ASN : amide:sc= 0.0101 X(o=0.01,f=-0.0027) USER MOD Single : A 90 SER OG : rot -103:sc= -0.319 USER MOD Single : A 97 HIS : no HD1:sc= -0.0558 X(o=-0.056,f=-0.22) USER MOD Single : A 99 MET CE :methyl -168:sc= -1.29 (180deg=-1.59) USER MOD Single : A 102 TYR OH : rot 90:sc= -0.879 USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 89 N LYS A 10 -3.270 18.812 10.025 1.00 0.00 N ATOM 90 CA LYS A 10 -4.567 18.216 9.727 1.00 0.00 C ATOM 91 C LYS A 10 -4.523 17.442 8.414 1.00 0.00 C ATOM 92 O LYS A 10 -5.090 16.355 8.303 1.00 0.00 O ATOM 93 CB LYS A 10 -5.645 19.300 9.656 1.00 0.00 C ATOM 94 CG LYS A 10 -7.009 18.775 9.241 1.00 0.00 C ATOM 95 CD LYS A 10 -7.710 18.073 10.392 1.00 0.00 C ATOM 96 CE LYS A 10 -9.203 17.933 10.133 1.00 0.00 C ATOM 97 NZ LYS A 10 -9.887 19.256 10.107 1.00 0.00 N ATOM 0 HA LYS A 10 -4.811 17.520 10.530 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -5.731 19.780 10.631 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -5.330 20.068 8.950 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -7.626 19.601 8.888 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -6.895 18.083 8.407 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -7.271 17.086 10.539 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -7.550 18.634 11.313 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -9.361 17.424 9.182 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -9.649 17.308 10.907 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -10.900 19.127 10.302 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -9.471 19.876 10.831 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -9.768 19.690 9.170 1.00 0.00 H new ATOM 111 N ASP A 11 -3.844 18.008 7.422 1.00 0.00 N ATOM 112 CA ASP A 11 -3.723 17.370 6.116 1.00 0.00 C ATOM 113 C ASP A 11 -3.168 15.955 6.253 1.00 0.00 C ATOM 114 O ASP A 11 -3.781 14.990 5.795 1.00 0.00 O ATOM 115 CB ASP A 11 -2.821 18.199 5.201 1.00 0.00 C ATOM 116 CG ASP A 11 -1.764 18.966 5.971 1.00 0.00 C ATOM 117 OD1 ASP A 11 -1.122 18.364 6.858 1.00 0.00 O ATOM 118 OD2 ASP A 11 -1.577 20.167 5.685 1.00 0.00 O ATOM 0 H ASP A 11 -3.369 18.907 7.497 1.00 0.00 H new ATOM 0 HA ASP A 11 -4.718 17.310 5.674 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -2.336 17.541 4.481 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -3.432 18.900 4.631 1.00 0.00 H new ATOM 123 N LEU A 12 -2.005 15.840 6.884 1.00 0.00 N ATOM 124 CA LEU A 12 -1.366 14.543 7.079 1.00 0.00 C ATOM 125 C LEU A 12 -2.265 13.609 7.884 1.00 0.00 C ATOM 126 O LEU A 12 -2.494 12.464 7.496 1.00 0.00 O ATOM 127 CB LEU A 12 -0.023 14.716 7.791 1.00 0.00 C ATOM 128 CG LEU A 12 1.181 14.997 6.892 1.00 0.00 C ATOM 129 CD1 LEU A 12 2.407 15.326 7.730 1.00 0.00 C ATOM 130 CD2 LEU A 12 1.457 13.808 5.984 1.00 0.00 C ATOM 0 H LEU A 12 -1.485 16.629 7.269 1.00 0.00 H new ATOM 0 HA LEU A 12 -1.196 14.098 6.099 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -0.116 15.533 8.506 1.00 0.00 H new ATOM 0 HB3 LEU A 12 0.180 13.812 8.365 1.00 0.00 H new ATOM 0 HG LEU A 12 0.951 15.860 6.267 1.00 0.00 H new ATOM 0 HD11 LEU A 12 3.254 15.523 7.073 1.00 0.00 H new ATOM 0 HD12 LEU A 12 2.206 16.208 8.338 1.00 0.00 H new ATOM 0 HD13 LEU A 12 2.640 14.483 8.380 1.00 0.00 H new ATOM 0 HD21 LEU A 12 2.317 14.026 5.351 1.00 0.00 H new ATOM 0 HD22 LEU A 12 1.667 12.927 6.591 1.00 0.00 H new ATOM 0 HD23 LEU A 12 0.585 13.618 5.358 1.00 0.00 H new ATOM 142 N ALA A 13 -2.773 14.108 9.007 1.00 0.00 N ATOM 143 CA ALA A 13 -3.650 13.320 9.864 1.00 0.00 C ATOM 144 C ALA A 13 -4.632 12.497 9.037 1.00 0.00 C ATOM 145 O ALA A 13 -4.933 11.350 9.372 1.00 0.00 O ATOM 146 CB ALA A 13 -4.400 14.227 10.828 1.00 0.00 C ATOM 0 H ALA A 13 -2.592 15.054 9.344 1.00 0.00 H new ATOM 0 HA ALA A 13 -3.031 12.630 10.438 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -5.051 13.625 11.462 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -3.686 14.767 11.450 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -5.001 14.940 10.264 1.00 0.00 H new ATOM 152 N LEU A 14 -5.128 13.088 7.956 1.00 0.00 N ATOM 153 CA LEU A 14 -6.078 12.409 7.081 1.00 0.00 C ATOM 154 C LEU A 14 -5.429 11.207 6.402 1.00 0.00 C ATOM 155 O LEU A 14 -6.003 10.118 6.365 1.00 0.00 O ATOM 156 CB LEU A 14 -6.611 13.379 6.025 1.00 0.00 C ATOM 157 CG LEU A 14 -7.538 14.483 6.535 1.00 0.00 C ATOM 158 CD1 LEU A 14 -7.797 15.510 5.443 1.00 0.00 C ATOM 159 CD2 LEU A 14 -8.847 13.892 7.036 1.00 0.00 C ATOM 0 H LEU A 14 -4.889 14.036 7.664 1.00 0.00 H new ATOM 0 HA LEU A 14 -6.908 12.054 7.692 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -5.761 13.847 5.528 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -7.145 12.804 5.269 1.00 0.00 H new ATOM 0 HG LEU A 14 -7.048 14.986 7.369 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -8.459 16.288 5.824 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -6.853 15.957 5.133 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -8.266 15.022 4.588 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -9.494 14.693 7.395 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -9.342 13.363 6.222 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -8.644 13.197 7.851 1.00 0.00 H new ATOM 171 N CYS A 15 -4.230 11.412 5.869 1.00 0.00 N ATOM 172 CA CYS A 15 -3.501 10.344 5.192 1.00 0.00 C ATOM 173 C CYS A 15 -3.504 9.070 6.029 1.00 0.00 C ATOM 174 O CYS A 15 -3.585 7.964 5.494 1.00 0.00 O ATOM 175 CB CYS A 15 -2.063 10.780 4.908 1.00 0.00 C ATOM 176 SG CYS A 15 -1.927 12.189 3.783 1.00 0.00 S ATOM 0 H CYS A 15 -3.742 12.307 5.892 1.00 0.00 H new ATOM 0 HA CYS A 15 -4.003 10.137 4.247 1.00 0.00 H new ATOM 0 HB2 CYS A 15 -1.579 11.034 5.851 1.00 0.00 H new ATOM 0 HB3 CYS A 15 -1.516 9.937 4.485 1.00 0.00 H new ATOM 0 HG CYS A 15 -1.489 11.782 2.629 1.00 0.00 H new ATOM 182 N SER A 16 -3.412 9.232 7.345 1.00 0.00 N ATOM 183 CA SER A 16 -3.398 8.094 8.257 1.00 0.00 C ATOM 184 C SER A 16 -4.713 7.324 8.185 1.00 0.00 C ATOM 185 O SER A 16 -4.726 6.093 8.197 1.00 0.00 O ATOM 186 CB SER A 16 -3.147 8.565 9.690 1.00 0.00 C ATOM 187 OG SER A 16 -2.857 7.470 10.543 1.00 0.00 O ATOM 0 H SER A 16 -3.346 10.141 7.804 1.00 0.00 H new ATOM 0 HA SER A 16 -2.590 7.428 7.955 1.00 0.00 H new ATOM 0 HB2 SER A 16 -2.317 9.271 9.704 1.00 0.00 H new ATOM 0 HB3 SER A 16 -4.024 9.097 10.060 1.00 0.00 H new ATOM 0 HG SER A 16 -2.699 7.797 11.453 1.00 0.00 H new ATOM 193 N MET A 17 -5.818 8.058 8.110 1.00 0.00 N ATOM 194 CA MET A 17 -7.139 7.445 8.035 1.00 0.00 C ATOM 195 C MET A 17 -7.247 6.533 6.817 1.00 0.00 C ATOM 196 O MET A 17 -7.452 5.326 6.950 1.00 0.00 O ATOM 197 CB MET A 17 -8.223 8.524 7.976 1.00 0.00 C ATOM 198 CG MET A 17 -8.061 9.605 9.032 1.00 0.00 C ATOM 199 SD MET A 17 -9.632 10.350 9.509 1.00 0.00 S ATOM 200 CE MET A 17 -10.327 10.733 7.903 1.00 0.00 C ATOM 0 H MET A 17 -5.825 9.078 8.100 1.00 0.00 H new ATOM 0 HA MET A 17 -7.284 6.843 8.932 1.00 0.00 H new ATOM 0 HB2 MET A 17 -8.211 8.987 6.989 1.00 0.00 H new ATOM 0 HB3 MET A 17 -9.199 8.054 8.095 1.00 0.00 H new ATOM 0 HG2 MET A 17 -7.583 9.178 9.914 1.00 0.00 H new ATOM 0 HG3 MET A 17 -7.395 10.381 8.653 1.00 0.00 H new ATOM 0 HE1 MET A 17 -11.112 11.481 8.015 1.00 0.00 H new ATOM 0 HE2 MET A 17 -9.545 11.123 7.252 1.00 0.00 H new ATOM 0 HE3 MET A 17 -10.748 9.829 7.463 1.00 0.00 H new ATOM 210 N ILE A 18 -7.107 7.117 5.632 1.00 0.00 N ATOM 211 CA ILE A 18 -7.188 6.356 4.391 1.00 0.00 C ATOM 212 C ILE A 18 -6.329 5.098 4.461 1.00 0.00 C ATOM 213 O ILE A 18 -6.801 3.994 4.184 1.00 0.00 O ATOM 214 CB ILE A 18 -6.743 7.201 3.183 1.00 0.00 C ATOM 215 CG1 ILE A 18 -7.589 8.472 3.082 1.00 0.00 C ATOM 216 CG2 ILE A 18 -6.847 6.387 1.901 1.00 0.00 C ATOM 217 CD1 ILE A 18 -6.853 9.641 2.466 1.00 0.00 C ATOM 0 H ILE A 18 -6.937 8.115 5.505 1.00 0.00 H new ATOM 0 HA ILE A 18 -8.233 6.073 4.261 1.00 0.00 H new ATOM 0 HB ILE A 18 -5.702 7.490 3.325 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -8.479 8.260 2.489 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -7.930 8.752 4.079 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -6.529 6.997 1.056 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -6.207 5.508 1.975 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -7.880 6.072 1.753 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -7.514 10.507 2.426 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -5.978 9.880 3.071 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -6.536 9.380 1.456 1.00 0.00 H new ATOM 229 N LEU A 19 -5.066 5.270 4.835 1.00 0.00 N ATOM 230 CA LEU A 19 -4.140 4.148 4.944 1.00 0.00 C ATOM 231 C LEU A 19 -4.748 3.019 5.770 1.00 0.00 C ATOM 232 O LEU A 19 -4.790 1.868 5.333 1.00 0.00 O ATOM 233 CB LEU A 19 -2.825 4.606 5.576 1.00 0.00 C ATOM 234 CG LEU A 19 -1.766 3.523 5.782 1.00 0.00 C ATOM 235 CD1 LEU A 19 -1.328 2.944 4.446 1.00 0.00 C ATOM 236 CD2 LEU A 19 -0.571 4.082 6.541 1.00 0.00 C ATOM 0 H LEU A 19 -4.659 6.176 5.068 1.00 0.00 H new ATOM 0 HA LEU A 19 -3.942 3.773 3.940 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -2.398 5.389 4.950 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -3.048 5.057 6.543 1.00 0.00 H new ATOM 0 HG LEU A 19 -2.205 2.721 6.376 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -0.574 2.175 4.613 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -2.188 2.506 3.940 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -0.908 3.736 3.826 1.00 0.00 H new ATOM 0 HD21 LEU A 19 0.172 3.297 6.678 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -0.132 4.903 5.974 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -0.897 4.447 7.515 1.00 0.00 H new ATOM 248 N THR A 20 -5.221 3.355 6.966 1.00 0.00 N ATOM 249 CA THR A 20 -5.828 2.370 7.852 1.00 0.00 C ATOM 250 C THR A 20 -6.938 1.602 7.143 1.00 0.00 C ATOM 251 O THR A 20 -6.847 0.388 6.964 1.00 0.00 O ATOM 252 CB THR A 20 -6.406 3.033 9.117 1.00 0.00 C ATOM 253 OG1 THR A 20 -5.359 3.673 9.856 1.00 0.00 O ATOM 254 CG2 THR A 20 -7.100 2.006 9.997 1.00 0.00 C ATOM 0 H THR A 20 -5.195 4.302 7.343 1.00 0.00 H new ATOM 0 HA THR A 20 -5.038 1.677 8.142 1.00 0.00 H new ATOM 0 HB THR A 20 -7.140 3.777 8.808 1.00 0.00 H new ATOM 0 HG1 THR A 20 -5.078 4.486 9.387 1.00 0.00 H new ATOM 0 HG21 THR A 20 -7.500 2.498 10.884 1.00 0.00 H new ATOM 0 HG22 THR A 20 -7.915 1.542 9.441 1.00 0.00 H new ATOM 0 HG23 THR A 20 -6.384 1.241 10.298 1.00 0.00 H new ATOM 262 N GLU A 21 -7.983 2.318 6.742 1.00 0.00 N ATOM 263 CA GLU A 21 -9.111 1.702 6.052 1.00 0.00 C ATOM 264 C GLU A 21 -8.628 0.672 5.033 1.00 0.00 C ATOM 265 O GLU A 21 -9.046 -0.485 5.060 1.00 0.00 O ATOM 266 CB GLU A 21 -9.955 2.769 5.353 1.00 0.00 C ATOM 267 CG GLU A 21 -10.379 3.906 6.269 1.00 0.00 C ATOM 268 CD GLU A 21 -11.702 4.523 5.859 1.00 0.00 C ATOM 269 OE1 GLU A 21 -12.675 3.765 5.663 1.00 0.00 O ATOM 270 OE2 GLU A 21 -11.764 5.764 5.736 1.00 0.00 O ATOM 0 H GLU A 21 -8.073 3.324 6.883 1.00 0.00 H new ATOM 0 HA GLU A 21 -9.725 1.193 6.795 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -9.388 3.179 4.517 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -10.845 2.300 4.934 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -10.457 3.535 7.291 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -9.607 4.676 6.267 1.00 0.00 H new ATOM 277 N MET A 22 -7.747 1.104 4.137 1.00 0.00 N ATOM 278 CA MET A 22 -7.208 0.220 3.110 1.00 0.00 C ATOM 279 C MET A 22 -6.484 -0.967 3.739 1.00 0.00 C ATOM 280 O MET A 22 -6.697 -2.113 3.346 1.00 0.00 O ATOM 281 CB MET A 22 -6.251 0.989 2.196 1.00 0.00 C ATOM 282 CG MET A 22 -6.947 2.002 1.302 1.00 0.00 C ATOM 283 SD MET A 22 -6.005 2.376 -0.189 1.00 0.00 S ATOM 284 CE MET A 22 -4.408 2.780 0.513 1.00 0.00 C ATOM 0 H MET A 22 -7.391 2.059 4.101 1.00 0.00 H new ATOM 0 HA MET A 22 -8.041 -0.158 2.517 1.00 0.00 H new ATOM 0 HB2 MET A 22 -5.512 1.505 2.809 1.00 0.00 H new ATOM 0 HB3 MET A 22 -5.708 0.279 1.572 1.00 0.00 H new ATOM 0 HG2 MET A 22 -7.928 1.619 1.021 1.00 0.00 H new ATOM 0 HG3 MET A 22 -7.113 2.922 1.863 1.00 0.00 H new ATOM 0 HE1 MET A 22 -3.723 3.069 -0.284 1.00 0.00 H new ATOM 0 HE2 MET A 22 -4.518 3.607 1.215 1.00 0.00 H new ATOM 0 HE3 MET A 22 -4.010 1.910 1.036 1.00 0.00 H new ATOM 294 N GLU A 23 -5.630 -0.683 4.717 1.00 0.00 N ATOM 295 CA GLU A 23 -4.875 -1.728 5.398 1.00 0.00 C ATOM 296 C GLU A 23 -5.808 -2.803 5.947 1.00 0.00 C ATOM 297 O GLU A 23 -5.377 -3.909 6.273 1.00 0.00 O ATOM 298 CB GLU A 23 -4.044 -1.129 6.535 1.00 0.00 C ATOM 299 CG GLU A 23 -2.762 -0.463 6.067 1.00 0.00 C ATOM 300 CD GLU A 23 -1.664 -0.511 7.111 1.00 0.00 C ATOM 301 OE1 GLU A 23 -1.576 -1.527 7.832 1.00 0.00 O ATOM 302 OE2 GLU A 23 -0.892 0.466 7.208 1.00 0.00 O ATOM 0 H GLU A 23 -5.444 0.261 5.055 1.00 0.00 H new ATOM 0 HA GLU A 23 -4.205 -2.189 4.672 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -4.649 -0.397 7.069 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -3.795 -1.917 7.246 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -2.414 -0.952 5.157 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -2.969 0.576 5.811 1.00 0.00 H new ATOM 309 N THR A 24 -7.091 -2.469 6.048 1.00 0.00 N ATOM 310 CA THR A 24 -8.086 -3.404 6.559 1.00 0.00 C ATOM 311 C THR A 24 -9.000 -3.897 5.443 1.00 0.00 C ATOM 312 O THR A 24 -10.171 -4.202 5.675 1.00 0.00 O ATOM 313 CB THR A 24 -8.945 -2.761 7.664 1.00 0.00 C ATOM 314 OG1 THR A 24 -9.657 -1.634 7.139 1.00 0.00 O ATOM 315 CG2 THR A 24 -8.079 -2.320 8.835 1.00 0.00 C ATOM 0 H THR A 24 -7.465 -1.558 5.783 1.00 0.00 H new ATOM 0 HA THR A 24 -7.540 -4.249 6.979 1.00 0.00 H new ATOM 0 HB THR A 24 -9.657 -3.506 8.019 1.00 0.00 H new ATOM 0 HG1 THR A 24 -9.434 -1.518 6.192 1.00 0.00 H new ATOM 0 HG21 THR A 24 -8.708 -1.869 9.603 1.00 0.00 H new ATOM 0 HG22 THR A 24 -7.562 -3.185 9.251 1.00 0.00 H new ATOM 0 HG23 THR A 24 -7.346 -1.590 8.491 1.00 0.00 H new ATOM 323 N HIS A 25 -8.459 -3.976 4.232 1.00 0.00 N ATOM 324 CA HIS A 25 -9.227 -4.435 3.080 1.00 0.00 C ATOM 325 C HIS A 25 -8.945 -5.906 2.791 1.00 0.00 C ATOM 326 O HIS A 25 -7.840 -6.393 3.024 1.00 0.00 O ATOM 327 CB HIS A 25 -8.895 -3.589 1.850 1.00 0.00 C ATOM 328 CG HIS A 25 -10.034 -3.463 0.885 1.00 0.00 C ATOM 329 ND1 HIS A 25 -10.117 -4.192 -0.282 1.00 0.00 N ATOM 330 CD2 HIS A 25 -11.143 -2.687 0.921 1.00 0.00 C ATOM 331 CE1 HIS A 25 -11.225 -3.868 -0.923 1.00 0.00 C ATOM 332 NE2 HIS A 25 -11.866 -2.957 -0.214 1.00 0.00 N ATOM 0 H HIS A 25 -7.492 -3.728 4.023 1.00 0.00 H new ATOM 0 HA HIS A 25 -10.286 -4.325 3.313 1.00 0.00 H new ATOM 0 HB2 HIS A 25 -8.593 -2.593 2.175 1.00 0.00 H new ATOM 0 HB3 HIS A 25 -8.041 -4.030 1.336 1.00 0.00 H new ATOM 0 HD2 HIS A 25 -11.409 -1.986 1.698 1.00 0.00 H new ATOM 0 HE1 HIS A 25 -11.552 -4.278 -1.867 1.00 0.00 H new ATOM 0 HE2 HIS A 25 -12.754 -2.524 -0.468 1.00 0.00 H new ATOM 340 N GLU A 26 -9.954 -6.608 2.282 1.00 0.00 N ATOM 341 CA GLU A 26 -9.814 -8.024 1.964 1.00 0.00 C ATOM 342 C GLU A 26 -8.797 -8.232 0.845 1.00 0.00 C ATOM 343 O GLU A 26 -8.385 -9.359 0.567 1.00 0.00 O ATOM 344 CB GLU A 26 -11.165 -8.614 1.555 1.00 0.00 C ATOM 345 CG GLU A 26 -11.760 -7.970 0.314 1.00 0.00 C ATOM 346 CD GLU A 26 -13.225 -8.315 0.123 1.00 0.00 C ATOM 347 OE1 GLU A 26 -14.061 -7.794 0.890 1.00 0.00 O ATOM 348 OE2 GLU A 26 -13.534 -9.106 -0.792 1.00 0.00 O ATOM 0 H GLU A 26 -10.875 -6.219 2.082 1.00 0.00 H new ATOM 0 HA GLU A 26 -9.457 -8.537 2.857 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -11.046 -9.683 1.378 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -11.866 -8.504 2.383 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -11.652 -6.888 0.383 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -11.198 -8.291 -0.563 1.00 0.00 H new ATOM 355 N ASP A 27 -8.398 -7.138 0.206 1.00 0.00 N ATOM 356 CA ASP A 27 -7.429 -7.199 -0.883 1.00 0.00 C ATOM 357 C ASP A 27 -6.318 -6.174 -0.679 1.00 0.00 C ATOM 358 O ASP A 27 -5.805 -5.601 -1.640 1.00 0.00 O ATOM 359 CB ASP A 27 -8.122 -6.959 -2.225 1.00 0.00 C ATOM 360 CG ASP A 27 -8.693 -8.233 -2.817 1.00 0.00 C ATOM 361 OD1 ASP A 27 -8.041 -9.290 -2.693 1.00 0.00 O ATOM 362 OD2 ASP A 27 -9.793 -8.172 -3.405 1.00 0.00 O ATOM 0 H ASP A 27 -8.730 -6.198 0.423 1.00 0.00 H new ATOM 0 HA ASP A 27 -6.984 -8.194 -0.886 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -8.924 -6.232 -2.092 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -7.410 -6.523 -2.926 1.00 0.00 H new ATOM 367 N ALA A 28 -5.952 -5.946 0.578 1.00 0.00 N ATOM 368 CA ALA A 28 -4.902 -4.991 0.907 1.00 0.00 C ATOM 369 C ALA A 28 -3.737 -5.677 1.613 1.00 0.00 C ATOM 370 O ALA A 28 -2.747 -5.035 1.964 1.00 0.00 O ATOM 371 CB ALA A 28 -5.459 -3.871 1.772 1.00 0.00 C ATOM 0 H ALA A 28 -6.368 -6.410 1.385 1.00 0.00 H new ATOM 0 HA ALA A 28 -4.529 -4.565 -0.024 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -4.663 -3.165 2.010 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -6.253 -3.355 1.232 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -5.861 -4.289 2.695 1.00 0.00 H new ATOM 377 N TRP A 29 -3.862 -6.983 1.817 1.00 0.00 N ATOM 378 CA TRP A 29 -2.819 -7.756 2.482 1.00 0.00 C ATOM 379 C TRP A 29 -1.637 -7.992 1.548 1.00 0.00 C ATOM 380 O TRP A 29 -0.486 -8.092 1.972 1.00 0.00 O ATOM 381 CB TRP A 29 -3.378 -9.095 2.965 1.00 0.00 C ATOM 382 CG TRP A 29 -3.720 -10.034 1.848 1.00 0.00 C ATOM 383 CD1 TRP A 29 -4.970 -10.366 1.411 1.00 0.00 C ATOM 384 CD2 TRP A 29 -2.799 -10.763 1.029 1.00 0.00 C ATOM 385 NE1 TRP A 29 -4.882 -11.258 0.369 1.00 0.00 N ATOM 386 CE2 TRP A 29 -3.562 -11.517 0.115 1.00 0.00 C ATOM 387 CE3 TRP A 29 -1.406 -10.852 0.978 1.00 0.00 C ATOM 388 CZ2 TRP A 29 -2.975 -12.346 -0.837 1.00 0.00 C ATOM 389 CZ3 TRP A 29 -0.825 -11.676 0.033 1.00 0.00 C ATOM 390 CH2 TRP A 29 -1.608 -12.414 -0.865 1.00 0.00 C ATOM 0 H TRP A 29 -4.675 -7.529 1.532 1.00 0.00 H new ATOM 0 HA TRP A 29 -2.470 -7.184 3.342 1.00 0.00 H new ATOM 0 HB2 TRP A 29 -2.647 -9.571 3.619 1.00 0.00 H new ATOM 0 HB3 TRP A 29 -4.271 -8.913 3.563 1.00 0.00 H new ATOM 0 HD1 TRP A 29 -5.892 -9.984 1.823 1.00 0.00 H new ATOM 0 HE1 TRP A 29 -5.672 -11.662 -0.134 1.00 0.00 H new ATOM 0 HE3 TRP A 29 -0.794 -10.287 1.665 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 -3.577 -12.916 -1.529 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 0.251 -11.753 -0.014 1.00 0.00 H new ATOM 0 HH2 TRP A 29 -1.124 -13.048 -1.593 1.00 0.00 H new ATOM 401 N PRO A 30 -1.923 -8.083 0.241 1.00 0.00 N ATOM 402 CA PRO A 30 -0.812 -8.310 -0.688 1.00 0.00 C ATOM 403 C PRO A 30 0.359 -7.367 -0.432 1.00 0.00 C ATOM 404 O PRO A 30 1.491 -7.645 -0.829 1.00 0.00 O ATOM 405 CB PRO A 30 -1.434 -8.030 -2.059 1.00 0.00 C ATOM 406 CG PRO A 30 -2.887 -8.305 -1.879 1.00 0.00 C ATOM 407 CD PRO A 30 -3.219 -7.992 -0.453 1.00 0.00 C ATOM 0 HA PRO A 30 -0.396 -9.313 -0.590 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -1.262 -6.999 -2.369 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -1.002 -8.671 -2.828 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -3.482 -7.693 -2.557 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -3.114 -9.346 -2.108 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -3.657 -6.999 -0.354 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -3.941 -8.700 -0.046 1.00 0.00 H new ATOM 415 N PHE A 31 0.080 -6.252 0.235 1.00 0.00 N ATOM 416 CA PHE A 31 1.111 -5.268 0.545 1.00 0.00 C ATOM 417 C PHE A 31 1.372 -5.208 2.047 1.00 0.00 C ATOM 418 O PHE A 31 2.496 -4.958 2.483 1.00 0.00 O ATOM 419 CB PHE A 31 0.698 -3.887 0.032 1.00 0.00 C ATOM 420 CG PHE A 31 -0.198 -3.938 -1.173 1.00 0.00 C ATOM 421 CD1 PHE A 31 -1.545 -4.235 -1.039 1.00 0.00 C ATOM 422 CD2 PHE A 31 0.306 -3.689 -2.439 1.00 0.00 C ATOM 423 CE1 PHE A 31 -2.371 -4.284 -2.145 1.00 0.00 C ATOM 424 CE2 PHE A 31 -0.516 -3.735 -3.550 1.00 0.00 C ATOM 425 CZ PHE A 31 -1.856 -4.032 -3.402 1.00 0.00 C ATOM 0 H PHE A 31 -0.851 -6.007 0.571 1.00 0.00 H new ATOM 0 HA PHE A 31 2.031 -5.573 0.046 1.00 0.00 H new ATOM 0 HB2 PHE A 31 0.188 -3.349 0.831 1.00 0.00 H new ATOM 0 HB3 PHE A 31 1.594 -3.317 -0.215 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -1.954 -4.430 -0.059 1.00 0.00 H new ATOM 0 HD2 PHE A 31 1.354 -3.456 -2.560 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -3.419 -4.519 -2.027 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -0.110 -3.539 -4.532 1.00 0.00 H new ATOM 0 HZ PHE A 31 -2.501 -4.067 -4.268 1.00 0.00 H new ATOM 435 N LEU A 32 0.326 -5.438 2.833 1.00 0.00 N ATOM 436 CA LEU A 32 0.440 -5.409 4.287 1.00 0.00 C ATOM 437 C LEU A 32 1.825 -5.867 4.733 1.00 0.00 C ATOM 438 O LEU A 32 2.391 -5.331 5.687 1.00 0.00 O ATOM 439 CB LEU A 32 -0.631 -6.298 4.920 1.00 0.00 C ATOM 440 CG LEU A 32 -2.010 -5.662 5.103 1.00 0.00 C ATOM 441 CD1 LEU A 32 -2.983 -6.661 5.709 1.00 0.00 C ATOM 442 CD2 LEU A 32 -1.911 -4.416 5.971 1.00 0.00 C ATOM 0 H LEU A 32 -0.611 -5.647 2.488 1.00 0.00 H new ATOM 0 HA LEU A 32 0.292 -4.381 4.618 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -0.744 -7.191 4.305 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -0.272 -6.626 5.895 1.00 0.00 H new ATOM 0 HG LEU A 32 -2.387 -5.369 4.123 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -3.958 -6.190 5.832 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -3.077 -7.524 5.049 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -2.612 -6.986 6.681 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -2.901 -3.976 6.091 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -1.513 -4.685 6.949 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -1.248 -3.693 5.496 1.00 0.00 H new ATOM 454 N LEU A 33 2.368 -6.859 4.036 1.00 0.00 N ATOM 455 CA LEU A 33 3.688 -7.388 4.358 1.00 0.00 C ATOM 456 C LEU A 33 4.674 -7.119 3.226 1.00 0.00 C ATOM 457 O LEU A 33 4.313 -7.091 2.049 1.00 0.00 O ATOM 458 CB LEU A 33 3.605 -8.891 4.631 1.00 0.00 C ATOM 459 CG LEU A 33 2.978 -9.297 5.965 1.00 0.00 C ATOM 460 CD1 LEU A 33 2.763 -10.802 6.018 1.00 0.00 C ATOM 461 CD2 LEU A 33 3.851 -8.841 7.126 1.00 0.00 C ATOM 0 H LEU A 33 1.914 -7.313 3.244 1.00 0.00 H new ATOM 0 HA LEU A 33 4.046 -6.882 5.254 1.00 0.00 H new ATOM 0 HB2 LEU A 33 3.033 -9.355 3.827 1.00 0.00 H new ATOM 0 HB3 LEU A 33 4.612 -9.305 4.585 1.00 0.00 H new ATOM 0 HG LEU A 33 2.008 -8.808 6.052 1.00 0.00 H new ATOM 0 HD11 LEU A 33 2.316 -11.072 6.975 1.00 0.00 H new ATOM 0 HD12 LEU A 33 2.098 -11.103 5.209 1.00 0.00 H new ATOM 0 HD13 LEU A 33 3.721 -11.310 5.909 1.00 0.00 H new ATOM 0 HD21 LEU A 33 3.389 -9.139 8.067 1.00 0.00 H new ATOM 0 HD22 LEU A 33 4.836 -9.301 7.044 1.00 0.00 H new ATOM 0 HD23 LEU A 33 3.954 -7.756 7.099 1.00 0.00 H new ATOM 473 N PRO A 34 5.950 -6.919 3.587 1.00 0.00 N ATOM 474 CA PRO A 34 7.015 -6.652 2.615 1.00 0.00 C ATOM 475 C PRO A 34 7.345 -7.874 1.765 1.00 0.00 C ATOM 476 O PRO A 34 7.292 -9.008 2.243 1.00 0.00 O ATOM 477 CB PRO A 34 8.210 -6.274 3.494 1.00 0.00 C ATOM 478 CG PRO A 34 7.946 -6.941 4.800 1.00 0.00 C ATOM 479 CD PRO A 34 6.452 -6.939 4.971 1.00 0.00 C ATOM 0 HA PRO A 34 6.731 -5.879 1.902 1.00 0.00 H new ATOM 0 HB2 PRO A 34 9.147 -6.617 3.057 1.00 0.00 H new ATOM 0 HB3 PRO A 34 8.290 -5.193 3.610 1.00 0.00 H new ATOM 0 HG2 PRO A 34 8.338 -7.958 4.805 1.00 0.00 H new ATOM 0 HG3 PRO A 34 8.433 -6.407 5.616 1.00 0.00 H new ATOM 0 HD2 PRO A 34 6.108 -7.822 5.510 1.00 0.00 H new ATOM 0 HD3 PRO A 34 6.113 -6.069 5.534 1.00 0.00 H new ATOM 487 N VAL A 35 7.685 -7.637 0.503 1.00 0.00 N ATOM 488 CA VAL A 35 8.025 -8.719 -0.414 1.00 0.00 C ATOM 489 C VAL A 35 9.486 -9.127 -0.264 1.00 0.00 C ATOM 490 O VAL A 35 10.390 -8.399 -0.672 1.00 0.00 O ATOM 491 CB VAL A 35 7.763 -8.318 -1.878 1.00 0.00 C ATOM 492 CG1 VAL A 35 8.290 -9.384 -2.826 1.00 0.00 C ATOM 493 CG2 VAL A 35 6.278 -8.076 -2.106 1.00 0.00 C ATOM 0 H VAL A 35 7.733 -6.705 0.091 1.00 0.00 H new ATOM 0 HA VAL A 35 7.386 -9.564 -0.157 1.00 0.00 H new ATOM 0 HB VAL A 35 8.295 -7.389 -2.083 1.00 0.00 H new ATOM 0 HG11 VAL A 35 8.096 -9.083 -3.856 1.00 0.00 H new ATOM 0 HG12 VAL A 35 9.363 -9.503 -2.679 1.00 0.00 H new ATOM 0 HG13 VAL A 35 7.789 -10.331 -2.624 1.00 0.00 H new ATOM 0 HG21 VAL A 35 6.111 -7.794 -3.145 1.00 0.00 H new ATOM 0 HG22 VAL A 35 5.723 -8.987 -1.884 1.00 0.00 H new ATOM 0 HG23 VAL A 35 5.936 -7.274 -1.452 1.00 0.00 H new ATOM 503 N ASN A 36 9.711 -10.298 0.323 1.00 0.00 N ATOM 504 CA ASN A 36 11.063 -10.804 0.527 1.00 0.00 C ATOM 505 C ASN A 36 11.821 -10.878 -0.795 1.00 0.00 C ATOM 506 O ASN A 36 11.400 -11.565 -1.727 1.00 0.00 O ATOM 507 CB ASN A 36 11.020 -12.187 1.181 1.00 0.00 C ATOM 508 CG ASN A 36 12.347 -12.574 1.804 1.00 0.00 C ATOM 509 OD1 ASN A 36 13.344 -12.755 1.105 1.00 0.00 O ATOM 510 ND2 ASN A 36 12.365 -12.703 3.125 1.00 0.00 N ATOM 0 H ASN A 36 8.974 -10.914 0.666 1.00 0.00 H new ATOM 0 HA ASN A 36 11.587 -10.113 1.188 1.00 0.00 H new ATOM 0 HB2 ASN A 36 10.245 -12.200 1.947 1.00 0.00 H new ATOM 0 HB3 ASN A 36 10.742 -12.931 0.434 1.00 0.00 H new ATOM 0 HD21 ASN A 36 13.230 -12.962 3.600 1.00 0.00 H new ATOM 0 HD22 ASN A 36 11.514 -12.543 3.665 1.00 0.00 H new ATOM 517 N LEU A 37 12.941 -10.168 -0.869 1.00 0.00 N ATOM 518 CA LEU A 37 13.759 -10.153 -2.076 1.00 0.00 C ATOM 519 C LEU A 37 14.589 -11.428 -2.188 1.00 0.00 C ATOM 520 O LEU A 37 14.826 -11.933 -3.285 1.00 0.00 O ATOM 521 CB LEU A 37 14.680 -8.931 -2.078 1.00 0.00 C ATOM 522 CG LEU A 37 14.036 -7.605 -1.672 1.00 0.00 C ATOM 523 CD1 LEU A 37 15.082 -6.504 -1.596 1.00 0.00 C ATOM 524 CD2 LEU A 37 12.931 -7.228 -2.648 1.00 0.00 C ATOM 0 H LEU A 37 13.303 -9.595 -0.107 1.00 0.00 H new ATOM 0 HA LEU A 37 13.091 -10.099 -2.936 1.00 0.00 H new ATOM 0 HB2 LEU A 37 15.514 -9.128 -1.404 1.00 0.00 H new ATOM 0 HB3 LEU A 37 15.098 -8.818 -3.078 1.00 0.00 H new ATOM 0 HG LEU A 37 13.594 -7.726 -0.683 1.00 0.00 H new ATOM 0 HD11 LEU A 37 14.605 -5.568 -1.306 1.00 0.00 H new ATOM 0 HD12 LEU A 37 15.838 -6.770 -0.857 1.00 0.00 H new ATOM 0 HD13 LEU A 37 15.555 -6.383 -2.571 1.00 0.00 H new ATOM 0 HD21 LEU A 37 12.484 -6.282 -2.344 1.00 0.00 H new ATOM 0 HD22 LEU A 37 13.349 -7.126 -3.649 1.00 0.00 H new ATOM 0 HD23 LEU A 37 12.167 -8.006 -2.651 1.00 0.00 H new ATOM 536 N LYS A 38 15.025 -11.946 -1.045 1.00 0.00 N ATOM 537 CA LYS A 38 15.824 -13.165 -1.012 1.00 0.00 C ATOM 538 C LYS A 38 15.003 -14.367 -1.468 1.00 0.00 C ATOM 539 O LYS A 38 15.522 -15.276 -2.117 1.00 0.00 O ATOM 540 CB LYS A 38 16.363 -13.408 0.399 1.00 0.00 C ATOM 541 CG LYS A 38 17.501 -12.478 0.785 1.00 0.00 C ATOM 542 CD LYS A 38 17.585 -12.295 2.291 1.00 0.00 C ATOM 543 CE LYS A 38 16.743 -11.117 2.757 1.00 0.00 C ATOM 544 NZ LYS A 38 15.294 -11.454 2.801 1.00 0.00 N ATOM 0 H LYS A 38 14.838 -11.540 -0.128 1.00 0.00 H new ATOM 0 HA LYS A 38 16.662 -13.039 -1.698 1.00 0.00 H new ATOM 0 HB2 LYS A 38 15.550 -13.289 1.115 1.00 0.00 H new ATOM 0 HB3 LYS A 38 16.707 -14.440 0.475 1.00 0.00 H new ATOM 0 HG2 LYS A 38 18.443 -12.881 0.413 1.00 0.00 H new ATOM 0 HG3 LYS A 38 17.358 -11.509 0.307 1.00 0.00 H new ATOM 0 HD2 LYS A 38 17.248 -13.204 2.788 1.00 0.00 H new ATOM 0 HD3 LYS A 38 18.624 -12.139 2.582 1.00 0.00 H new ATOM 0 HE2 LYS A 38 17.073 -10.804 3.747 1.00 0.00 H new ATOM 0 HE3 LYS A 38 16.899 -10.272 2.087 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 14.782 -10.716 3.324 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 14.922 -11.513 1.832 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 15.165 -12.369 3.278 1.00 0.00 H new ATOM 558 N LEU A 39 13.719 -14.365 -1.126 1.00 0.00 N ATOM 559 CA LEU A 39 12.825 -15.455 -1.501 1.00 0.00 C ATOM 560 C LEU A 39 12.382 -15.319 -2.954 1.00 0.00 C ATOM 561 O LEU A 39 12.611 -16.213 -3.770 1.00 0.00 O ATOM 562 CB LEU A 39 11.602 -15.476 -0.583 1.00 0.00 C ATOM 563 CG LEU A 39 11.884 -15.676 0.906 1.00 0.00 C ATOM 564 CD1 LEU A 39 10.589 -15.649 1.703 1.00 0.00 C ATOM 565 CD2 LEU A 39 12.627 -16.984 1.138 1.00 0.00 C ATOM 0 H LEU A 39 13.274 -13.620 -0.590 1.00 0.00 H new ATOM 0 HA LEU A 39 13.369 -16.393 -1.392 1.00 0.00 H new ATOM 0 HB2 LEU A 39 11.063 -14.537 -0.707 1.00 0.00 H new ATOM 0 HB3 LEU A 39 10.936 -16.272 -0.916 1.00 0.00 H new ATOM 0 HG LEU A 39 12.516 -14.857 1.249 1.00 0.00 H new ATOM 0 HD11 LEU A 39 10.810 -15.793 2.761 1.00 0.00 H new ATOM 0 HD12 LEU A 39 10.096 -14.687 1.563 1.00 0.00 H new ATOM 0 HD13 LEU A 39 9.932 -16.447 1.357 1.00 0.00 H new ATOM 0 HD21 LEU A 39 12.819 -17.109 2.204 1.00 0.00 H new ATOM 0 HD22 LEU A 39 12.021 -17.815 0.778 1.00 0.00 H new ATOM 0 HD23 LEU A 39 13.574 -16.965 0.598 1.00 0.00 H new ATOM 577 N VAL A 40 11.749 -14.195 -3.272 1.00 0.00 N ATOM 578 CA VAL A 40 11.277 -13.940 -4.628 1.00 0.00 C ATOM 579 C VAL A 40 12.443 -13.816 -5.602 1.00 0.00 C ATOM 580 O VAL A 40 13.425 -13.117 -5.348 1.00 0.00 O ATOM 581 CB VAL A 40 10.427 -12.657 -4.695 1.00 0.00 C ATOM 582 CG1 VAL A 40 9.903 -12.436 -6.106 1.00 0.00 C ATOM 583 CG2 VAL A 40 9.282 -12.724 -3.697 1.00 0.00 C ATOM 0 H VAL A 40 11.551 -13.446 -2.609 1.00 0.00 H new ATOM 0 HA VAL A 40 10.659 -14.791 -4.913 1.00 0.00 H new ATOM 0 HB VAL A 40 11.059 -11.809 -4.431 1.00 0.00 H new ATOM 0 HG11 VAL A 40 9.305 -11.525 -6.134 1.00 0.00 H new ATOM 0 HG12 VAL A 40 10.742 -12.340 -6.795 1.00 0.00 H new ATOM 0 HG13 VAL A 40 9.286 -13.284 -6.402 1.00 0.00 H new ATOM 0 HG21 VAL A 40 8.692 -11.809 -3.758 1.00 0.00 H new ATOM 0 HG22 VAL A 40 8.648 -13.581 -3.927 1.00 0.00 H new ATOM 0 HG23 VAL A 40 9.683 -12.830 -2.689 1.00 0.00 H new ATOM 593 N PRO A 41 12.336 -14.509 -6.745 1.00 0.00 N ATOM 594 CA PRO A 41 13.372 -14.491 -7.782 1.00 0.00 C ATOM 595 C PRO A 41 13.459 -13.144 -8.492 1.00 0.00 C ATOM 596 O PRO A 41 12.623 -12.820 -9.334 1.00 0.00 O ATOM 597 CB PRO A 41 12.917 -15.581 -8.756 1.00 0.00 C ATOM 598 CG PRO A 41 11.443 -15.668 -8.566 1.00 0.00 C ATOM 599 CD PRO A 41 11.194 -15.362 -7.115 1.00 0.00 C ATOM 0 HA PRO A 41 14.366 -14.658 -7.368 1.00 0.00 H new ATOM 0 HB2 PRO A 41 13.169 -15.323 -9.785 1.00 0.00 H new ATOM 0 HB3 PRO A 41 13.401 -16.533 -8.539 1.00 0.00 H new ATOM 0 HG2 PRO A 41 10.924 -14.958 -9.209 1.00 0.00 H new ATOM 0 HG3 PRO A 41 11.074 -16.661 -8.824 1.00 0.00 H new ATOM 0 HD2 PRO A 41 10.244 -14.847 -6.970 1.00 0.00 H new ATOM 0 HD3 PRO A 41 11.159 -16.270 -6.513 1.00 0.00 H new ATOM 607 N GLY A 42 14.478 -12.363 -8.146 1.00 0.00 N ATOM 608 CA GLY A 42 14.656 -11.061 -8.760 1.00 0.00 C ATOM 609 C GLY A 42 13.404 -10.209 -8.686 1.00 0.00 C ATOM 610 O GLY A 42 12.747 -9.969 -9.699 1.00 0.00 O ATOM 0 H GLY A 42 15.183 -12.609 -7.451 1.00 0.00 H new ATOM 0 HA2 GLY A 42 15.476 -10.539 -8.267 1.00 0.00 H new ATOM 0 HA3 GLY A 42 14.942 -11.191 -9.804 1.00 0.00 H new ATOM 614 N TYR A 43 13.072 -9.753 -7.484 1.00 0.00 N ATOM 615 CA TYR A 43 11.888 -8.926 -7.280 1.00 0.00 C ATOM 616 C TYR A 43 12.220 -7.447 -7.450 1.00 0.00 C ATOM 617 O TYR A 43 11.572 -6.737 -8.219 1.00 0.00 O ATOM 618 CB TYR A 43 11.301 -9.172 -5.889 1.00 0.00 C ATOM 619 CG TYR A 43 10.045 -8.378 -5.612 1.00 0.00 C ATOM 620 CD1 TYR A 43 8.868 -8.639 -6.303 1.00 0.00 C ATOM 621 CD2 TYR A 43 10.034 -7.367 -4.659 1.00 0.00 C ATOM 622 CE1 TYR A 43 7.718 -7.915 -6.054 1.00 0.00 C ATOM 623 CE2 TYR A 43 8.889 -6.640 -4.402 1.00 0.00 C ATOM 624 CZ TYR A 43 7.733 -6.917 -5.103 1.00 0.00 C ATOM 625 OH TYR A 43 6.590 -6.194 -4.851 1.00 0.00 O ATOM 0 H TYR A 43 13.606 -9.942 -6.636 1.00 0.00 H new ATOM 0 HA TYR A 43 11.150 -9.203 -8.033 1.00 0.00 H new ATOM 0 HB2 TYR A 43 11.081 -10.234 -5.780 1.00 0.00 H new ATOM 0 HB3 TYR A 43 12.051 -8.923 -5.138 1.00 0.00 H new ATOM 0 HD1 TYR A 43 8.852 -9.421 -7.047 1.00 0.00 H new ATOM 0 HD2 TYR A 43 10.937 -7.146 -4.110 1.00 0.00 H new ATOM 0 HE1 TYR A 43 6.812 -8.130 -6.601 1.00 0.00 H new ATOM 0 HE2 TYR A 43 8.898 -5.859 -3.656 1.00 0.00 H new ATOM 0 HH TYR A 43 6.770 -5.530 -4.153 1.00 0.00 H new ATOM 635 N LYS A 44 13.236 -6.989 -6.726 1.00 0.00 N ATOM 636 CA LYS A 44 13.658 -5.595 -6.796 1.00 0.00 C ATOM 637 C LYS A 44 13.991 -5.199 -8.230 1.00 0.00 C ATOM 638 O LYS A 44 13.683 -4.089 -8.667 1.00 0.00 O ATOM 639 CB LYS A 44 14.875 -5.364 -5.896 1.00 0.00 C ATOM 640 CG LYS A 44 14.963 -3.952 -5.343 1.00 0.00 C ATOM 641 CD LYS A 44 15.912 -3.874 -4.160 1.00 0.00 C ATOM 642 CE LYS A 44 16.015 -2.456 -3.619 1.00 0.00 C ATOM 643 NZ LYS A 44 16.825 -2.396 -2.371 1.00 0.00 N ATOM 0 H LYS A 44 13.782 -7.563 -6.084 1.00 0.00 H new ATOM 0 HA LYS A 44 12.833 -4.973 -6.448 1.00 0.00 H new ATOM 0 HB2 LYS A 44 14.841 -6.069 -5.065 1.00 0.00 H new ATOM 0 HB3 LYS A 44 15.781 -5.581 -6.462 1.00 0.00 H new ATOM 0 HG2 LYS A 44 15.301 -3.274 -6.127 1.00 0.00 H new ATOM 0 HG3 LYS A 44 13.972 -3.618 -5.038 1.00 0.00 H new ATOM 0 HD2 LYS A 44 15.566 -4.541 -3.371 1.00 0.00 H new ATOM 0 HD3 LYS A 44 16.900 -4.222 -4.461 1.00 0.00 H new ATOM 0 HE2 LYS A 44 16.464 -1.811 -4.374 1.00 0.00 H new ATOM 0 HE3 LYS A 44 15.015 -2.069 -3.422 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 16.871 -1.413 -2.034 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 16.384 -2.992 -1.642 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 17.787 -2.741 -2.564 1.00 0.00 H new ATOM 657 N LYS A 45 14.622 -6.112 -8.961 1.00 0.00 N ATOM 658 CA LYS A 45 14.994 -5.860 -10.348 1.00 0.00 C ATOM 659 C LYS A 45 13.819 -5.282 -11.130 1.00 0.00 C ATOM 660 O LYS A 45 13.955 -4.266 -11.812 1.00 0.00 O ATOM 661 CB LYS A 45 15.476 -7.152 -11.011 1.00 0.00 C ATOM 662 CG LYS A 45 16.950 -7.440 -10.784 1.00 0.00 C ATOM 663 CD LYS A 45 17.813 -6.823 -11.872 1.00 0.00 C ATOM 664 CE LYS A 45 17.805 -7.670 -13.136 1.00 0.00 C ATOM 665 NZ LYS A 45 18.026 -6.847 -14.357 1.00 0.00 N ATOM 0 H LYS A 45 14.887 -7.034 -8.615 1.00 0.00 H new ATOM 0 HA LYS A 45 15.805 -5.132 -10.354 1.00 0.00 H new ATOM 0 HB2 LYS A 45 14.888 -7.987 -10.630 1.00 0.00 H new ATOM 0 HB3 LYS A 45 15.287 -7.093 -12.083 1.00 0.00 H new ATOM 0 HG2 LYS A 45 17.253 -7.049 -9.813 1.00 0.00 H new ATOM 0 HG3 LYS A 45 17.111 -8.518 -10.758 1.00 0.00 H new ATOM 0 HD2 LYS A 45 17.450 -5.821 -12.102 1.00 0.00 H new ATOM 0 HD3 LYS A 45 18.836 -6.717 -11.510 1.00 0.00 H new ATOM 0 HE2 LYS A 45 18.581 -8.433 -13.067 1.00 0.00 H new ATOM 0 HE3 LYS A 45 16.851 -8.192 -13.217 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 18.014 -7.461 -15.196 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 17.272 -6.135 -14.437 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 18.947 -6.369 -14.291 1.00 0.00 H new ATOM 679 N VAL A 46 12.666 -5.935 -11.027 1.00 0.00 N ATOM 680 CA VAL A 46 11.467 -5.484 -11.723 1.00 0.00 C ATOM 681 C VAL A 46 10.796 -4.337 -10.975 1.00 0.00 C ATOM 682 O VAL A 46 10.330 -3.374 -11.585 1.00 0.00 O ATOM 683 CB VAL A 46 10.454 -6.631 -11.896 1.00 0.00 C ATOM 684 CG1 VAL A 46 9.155 -6.111 -12.492 1.00 0.00 C ATOM 685 CG2 VAL A 46 11.043 -7.735 -12.761 1.00 0.00 C ATOM 0 H VAL A 46 12.537 -6.778 -10.468 1.00 0.00 H new ATOM 0 HA VAL A 46 11.784 -5.137 -12.707 1.00 0.00 H new ATOM 0 HB VAL A 46 10.233 -7.049 -10.914 1.00 0.00 H new ATOM 0 HG11 VAL A 46 8.452 -6.936 -12.607 1.00 0.00 H new ATOM 0 HG12 VAL A 46 8.727 -5.358 -11.830 1.00 0.00 H new ATOM 0 HG13 VAL A 46 9.354 -5.666 -13.467 1.00 0.00 H new ATOM 0 HG21 VAL A 46 10.314 -8.538 -12.873 1.00 0.00 H new ATOM 0 HG22 VAL A 46 11.294 -7.333 -13.743 1.00 0.00 H new ATOM 0 HG23 VAL A 46 11.944 -8.126 -12.288 1.00 0.00 H new ATOM 695 N ILE A 47 10.752 -4.446 -9.652 1.00 0.00 N ATOM 696 CA ILE A 47 10.140 -3.417 -8.821 1.00 0.00 C ATOM 697 C ILE A 47 11.134 -2.306 -8.500 1.00 0.00 C ATOM 698 O ILE A 47 12.057 -2.493 -7.708 1.00 0.00 O ATOM 699 CB ILE A 47 9.601 -4.005 -7.503 1.00 0.00 C ATOM 700 CG1 ILE A 47 8.548 -5.077 -7.790 1.00 0.00 C ATOM 701 CG2 ILE A 47 9.018 -2.903 -6.631 1.00 0.00 C ATOM 702 CD1 ILE A 47 7.528 -4.660 -8.826 1.00 0.00 C ATOM 0 H ILE A 47 11.133 -5.237 -9.132 1.00 0.00 H new ATOM 0 HA ILE A 47 9.309 -3.003 -9.392 1.00 0.00 H new ATOM 0 HB ILE A 47 10.427 -4.469 -6.965 1.00 0.00 H new ATOM 0 HG12 ILE A 47 9.048 -5.984 -8.129 1.00 0.00 H new ATOM 0 HG13 ILE A 47 8.032 -5.325 -6.863 1.00 0.00 H new ATOM 0 HG21 ILE A 47 8.641 -3.334 -5.703 1.00 0.00 H new ATOM 0 HG22 ILE A 47 9.793 -2.171 -6.403 1.00 0.00 H new ATOM 0 HG23 ILE A 47 8.201 -2.413 -7.161 1.00 0.00 H new ATOM 0 HD11 ILE A 47 6.813 -5.469 -8.979 1.00 0.00 H new ATOM 0 HD12 ILE A 47 7.001 -3.770 -8.481 1.00 0.00 H new ATOM 0 HD13 ILE A 47 8.033 -4.440 -9.766 1.00 0.00 H new ATOM 714 N LYS A 48 10.938 -1.148 -9.120 1.00 0.00 N ATOM 715 CA LYS A 48 11.814 -0.003 -8.900 1.00 0.00 C ATOM 716 C LYS A 48 12.013 0.250 -7.409 1.00 0.00 C ATOM 717 O LYS A 48 13.141 0.414 -6.941 1.00 0.00 O ATOM 718 CB LYS A 48 11.234 1.246 -9.567 1.00 0.00 C ATOM 719 CG LYS A 48 11.222 1.175 -11.084 1.00 0.00 C ATOM 720 CD LYS A 48 11.428 2.545 -11.708 1.00 0.00 C ATOM 721 CE LYS A 48 11.037 2.552 -13.178 1.00 0.00 C ATOM 722 NZ LYS A 48 10.798 3.933 -13.681 1.00 0.00 N ATOM 0 H LYS A 48 10.179 -0.977 -9.780 1.00 0.00 H new ATOM 0 HA LYS A 48 12.783 -0.228 -9.346 1.00 0.00 H new ATOM 0 HB2 LYS A 48 10.215 1.398 -9.211 1.00 0.00 H new ATOM 0 HB3 LYS A 48 11.813 2.116 -9.257 1.00 0.00 H new ATOM 0 HG2 LYS A 48 12.006 0.498 -11.424 1.00 0.00 H new ATOM 0 HG3 LYS A 48 10.273 0.759 -11.422 1.00 0.00 H new ATOM 0 HD2 LYS A 48 10.835 3.284 -11.169 1.00 0.00 H new ATOM 0 HD3 LYS A 48 12.473 2.839 -11.607 1.00 0.00 H new ATOM 0 HE2 LYS A 48 11.826 2.083 -13.766 1.00 0.00 H new ATOM 0 HE3 LYS A 48 10.137 1.954 -13.317 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 10.534 3.895 -14.686 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 10.028 4.372 -13.137 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 11.665 4.497 -13.572 1.00 0.00 H new ATOM 736 N LYS A 49 10.912 0.279 -6.666 1.00 0.00 N ATOM 737 CA LYS A 49 10.965 0.509 -5.227 1.00 0.00 C ATOM 738 C LYS A 49 9.894 -0.302 -4.506 1.00 0.00 C ATOM 739 O LYS A 49 8.701 -0.005 -4.580 1.00 0.00 O ATOM 740 CB LYS A 49 10.785 1.998 -4.921 1.00 0.00 C ATOM 741 CG LYS A 49 12.090 2.773 -4.879 1.00 0.00 C ATOM 742 CD LYS A 49 11.848 4.273 -4.873 1.00 0.00 C ATOM 743 CE LYS A 49 11.303 4.744 -3.533 1.00 0.00 C ATOM 744 NZ LYS A 49 12.394 5.093 -2.582 1.00 0.00 N ATOM 0 H LYS A 49 9.971 0.146 -7.037 1.00 0.00 H new ATOM 0 HA LYS A 49 11.942 0.186 -4.869 1.00 0.00 H new ATOM 0 HB2 LYS A 49 10.134 2.439 -5.676 1.00 0.00 H new ATOM 0 HB3 LYS A 49 10.278 2.104 -3.962 1.00 0.00 H new ATOM 0 HG2 LYS A 49 12.653 2.491 -3.989 1.00 0.00 H new ATOM 0 HG3 LYS A 49 12.701 2.506 -5.741 1.00 0.00 H new ATOM 0 HD2 LYS A 49 12.780 4.794 -5.091 1.00 0.00 H new ATOM 0 HD3 LYS A 49 11.145 4.532 -5.665 1.00 0.00 H new ATOM 0 HE2 LYS A 49 10.663 5.613 -3.686 1.00 0.00 H new ATOM 0 HE3 LYS A 49 10.680 3.962 -3.099 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 11.981 5.409 -1.681 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 12.990 4.257 -2.415 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 12.974 5.857 -2.984 1.00 0.00 H new ATOM 758 N PRO A 50 10.326 -1.351 -3.791 1.00 0.00 N ATOM 759 CA PRO A 50 9.419 -2.226 -3.041 1.00 0.00 C ATOM 760 C PRO A 50 8.809 -1.527 -1.831 1.00 0.00 C ATOM 761 O PRO A 50 9.459 -1.375 -0.797 1.00 0.00 O ATOM 762 CB PRO A 50 10.325 -3.376 -2.594 1.00 0.00 C ATOM 763 CG PRO A 50 11.693 -2.789 -2.558 1.00 0.00 C ATOM 764 CD PRO A 50 11.733 -1.764 -3.658 1.00 0.00 C ATOM 0 HA PRO A 50 8.569 -2.545 -3.644 1.00 0.00 H new ATOM 0 HB2 PRO A 50 10.031 -3.754 -1.615 1.00 0.00 H new ATOM 0 HB3 PRO A 50 10.272 -4.214 -3.289 1.00 0.00 H new ATOM 0 HG2 PRO A 50 11.896 -2.331 -1.590 1.00 0.00 H new ATOM 0 HG3 PRO A 50 12.451 -3.557 -2.712 1.00 0.00 H new ATOM 0 HD2 PRO A 50 12.376 -0.923 -3.400 1.00 0.00 H new ATOM 0 HD3 PRO A 50 12.117 -2.186 -4.587 1.00 0.00 H new ATOM 772 N MET A 51 7.556 -1.105 -1.967 1.00 0.00 N ATOM 773 CA MET A 51 6.858 -0.424 -0.883 1.00 0.00 C ATOM 774 C MET A 51 5.836 -1.349 -0.228 1.00 0.00 C ATOM 775 O MET A 51 5.487 -2.393 -0.780 1.00 0.00 O ATOM 776 CB MET A 51 6.162 0.834 -1.406 1.00 0.00 C ATOM 777 CG MET A 51 5.624 1.733 -0.306 1.00 0.00 C ATOM 778 SD MET A 51 6.868 2.134 0.936 1.00 0.00 S ATOM 779 CE MET A 51 8.079 2.996 -0.064 1.00 0.00 C ATOM 0 H MET A 51 7.004 -1.223 -2.816 1.00 0.00 H new ATOM 0 HA MET A 51 7.596 -0.137 -0.134 1.00 0.00 H new ATOM 0 HB2 MET A 51 6.865 1.401 -2.016 1.00 0.00 H new ATOM 0 HB3 MET A 51 5.340 0.540 -2.058 1.00 0.00 H new ATOM 0 HG2 MET A 51 5.247 2.655 -0.748 1.00 0.00 H new ATOM 0 HG3 MET A 51 4.779 1.243 0.177 1.00 0.00 H new ATOM 0 HE1 MET A 51 8.860 3.401 0.579 1.00 0.00 H new ATOM 0 HE2 MET A 51 8.521 2.302 -0.779 1.00 0.00 H new ATOM 0 HE3 MET A 51 7.594 3.810 -0.602 1.00 0.00 H new ATOM 789 N ASP A 52 5.361 -0.959 0.949 1.00 0.00 N ATOM 790 CA ASP A 52 4.378 -1.753 1.678 1.00 0.00 C ATOM 791 C ASP A 52 3.705 -0.920 2.765 1.00 0.00 C ATOM 792 O ASP A 52 4.321 -0.029 3.350 1.00 0.00 O ATOM 793 CB ASP A 52 5.044 -2.982 2.299 1.00 0.00 C ATOM 794 CG ASP A 52 6.320 -2.636 3.042 1.00 0.00 C ATOM 795 OD1 ASP A 52 7.218 -2.025 2.426 1.00 0.00 O ATOM 796 OD2 ASP A 52 6.421 -2.977 4.239 1.00 0.00 O ATOM 0 H ASP A 52 5.640 -0.098 1.419 1.00 0.00 H new ATOM 0 HA ASP A 52 3.615 -2.080 0.972 1.00 0.00 H new ATOM 0 HB2 ASP A 52 4.346 -3.462 2.985 1.00 0.00 H new ATOM 0 HB3 ASP A 52 5.268 -3.705 1.515 1.00 0.00 H new ATOM 801 N PHE A 53 2.436 -1.215 3.028 1.00 0.00 N ATOM 802 CA PHE A 53 1.678 -0.492 4.043 1.00 0.00 C ATOM 803 C PHE A 53 2.392 -0.538 5.390 1.00 0.00 C ATOM 804 O PHE A 53 2.475 0.468 6.095 1.00 0.00 O ATOM 805 CB PHE A 53 0.273 -1.083 4.177 1.00 0.00 C ATOM 806 CG PHE A 53 -0.588 -0.863 2.965 1.00 0.00 C ATOM 807 CD1 PHE A 53 -0.731 0.403 2.421 1.00 0.00 C ATOM 808 CD2 PHE A 53 -1.254 -1.923 2.371 1.00 0.00 C ATOM 809 CE1 PHE A 53 -1.523 0.608 1.307 1.00 0.00 C ATOM 810 CE2 PHE A 53 -2.047 -1.724 1.256 1.00 0.00 C ATOM 811 CZ PHE A 53 -2.181 -0.457 0.723 1.00 0.00 C ATOM 0 H PHE A 53 1.911 -1.949 2.553 1.00 0.00 H new ATOM 0 HA PHE A 53 1.599 0.549 3.729 1.00 0.00 H new ATOM 0 HB2 PHE A 53 0.354 -2.153 4.366 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -0.217 -0.642 5.046 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -0.218 1.239 2.872 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -1.153 -2.916 2.784 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -1.627 1.600 0.893 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -2.561 -2.558 0.802 1.00 0.00 H new ATOM 0 HZ PHE A 53 -2.799 -0.299 -0.149 1.00 0.00 H new ATOM 821 N SER A 54 2.905 -1.712 5.742 1.00 0.00 N ATOM 822 CA SER A 54 3.608 -1.892 7.007 1.00 0.00 C ATOM 823 C SER A 54 4.688 -0.829 7.183 1.00 0.00 C ATOM 824 O SER A 54 4.947 -0.367 8.295 1.00 0.00 O ATOM 825 CB SER A 54 4.233 -3.286 7.074 1.00 0.00 C ATOM 826 OG SER A 54 5.275 -3.333 8.034 1.00 0.00 O ATOM 0 H SER A 54 2.847 -2.554 5.169 1.00 0.00 H new ATOM 0 HA SER A 54 2.884 -1.788 7.815 1.00 0.00 H new ATOM 0 HB2 SER A 54 3.467 -4.019 7.328 1.00 0.00 H new ATOM 0 HB3 SER A 54 4.624 -3.560 6.094 1.00 0.00 H new ATOM 0 HG SER A 54 5.657 -4.235 8.058 1.00 0.00 H new ATOM 832 N THR A 55 5.317 -0.444 6.077 1.00 0.00 N ATOM 833 CA THR A 55 6.370 0.563 6.108 1.00 0.00 C ATOM 834 C THR A 55 5.788 1.970 6.045 1.00 0.00 C ATOM 835 O THR A 55 6.062 2.805 6.908 1.00 0.00 O ATOM 836 CB THR A 55 7.360 0.377 4.942 1.00 0.00 C ATOM 837 OG1 THR A 55 7.990 -0.905 5.034 1.00 0.00 O ATOM 838 CG2 THR A 55 8.418 1.470 4.951 1.00 0.00 C ATOM 0 H THR A 55 5.115 -0.815 5.148 1.00 0.00 H new ATOM 0 HA THR A 55 6.902 0.435 7.051 1.00 0.00 H new ATOM 0 HB THR A 55 6.803 0.441 4.007 1.00 0.00 H new ATOM 0 HG1 THR A 55 8.616 -1.016 4.288 1.00 0.00 H new ATOM 0 HG21 THR A 55 9.105 1.318 4.119 1.00 0.00 H new ATOM 0 HG22 THR A 55 7.937 2.443 4.851 1.00 0.00 H new ATOM 0 HG23 THR A 55 8.971 1.434 5.890 1.00 0.00 H new ATOM 846 N ILE A 56 4.983 2.227 5.019 1.00 0.00 N ATOM 847 CA ILE A 56 4.360 3.533 4.846 1.00 0.00 C ATOM 848 C ILE A 56 3.749 4.029 6.152 1.00 0.00 C ATOM 849 O ILE A 56 3.843 5.210 6.485 1.00 0.00 O ATOM 850 CB ILE A 56 3.266 3.496 3.762 1.00 0.00 C ATOM 851 CG1 ILE A 56 3.849 3.006 2.435 1.00 0.00 C ATOM 852 CG2 ILE A 56 2.638 4.872 3.596 1.00 0.00 C ATOM 853 CD1 ILE A 56 2.807 2.800 1.357 1.00 0.00 C ATOM 0 H ILE A 56 4.747 1.548 4.295 1.00 0.00 H new ATOM 0 HA ILE A 56 5.147 4.219 4.533 1.00 0.00 H new ATOM 0 HB ILE A 56 2.488 2.799 4.075 1.00 0.00 H new ATOM 0 HG12 ILE A 56 4.587 3.727 2.083 1.00 0.00 H new ATOM 0 HG13 ILE A 56 4.376 2.067 2.604 1.00 0.00 H new ATOM 0 HG21 ILE A 56 1.867 4.830 2.827 1.00 0.00 H new ATOM 0 HG22 ILE A 56 2.192 5.185 4.540 1.00 0.00 H new ATOM 0 HG23 ILE A 56 3.405 5.589 3.302 1.00 0.00 H new ATOM 0 HD11 ILE A 56 3.291 2.452 0.444 1.00 0.00 H new ATOM 0 HD12 ILE A 56 2.082 2.057 1.689 1.00 0.00 H new ATOM 0 HD13 ILE A 56 2.296 3.742 1.160 1.00 0.00 H new ATOM 865 N ARG A 57 3.124 3.117 6.890 1.00 0.00 N ATOM 866 CA ARG A 57 2.498 3.461 8.161 1.00 0.00 C ATOM 867 C ARG A 57 3.507 4.103 9.108 1.00 0.00 C ATOM 868 O ARG A 57 3.365 5.265 9.487 1.00 0.00 O ATOM 869 CB ARG A 57 1.894 2.215 8.811 1.00 0.00 C ATOM 870 CG ARG A 57 1.283 2.475 10.178 1.00 0.00 C ATOM 871 CD ARG A 57 0.044 3.352 10.076 1.00 0.00 C ATOM 872 NE ARG A 57 -1.158 2.570 9.801 1.00 0.00 N ATOM 873 CZ ARG A 57 -1.796 1.855 10.721 1.00 0.00 C ATOM 874 NH1 ARG A 57 -1.348 1.824 11.969 1.00 0.00 N ATOM 875 NH2 ARG A 57 -2.884 1.170 10.394 1.00 0.00 N ATOM 0 H ARG A 57 3.038 2.135 6.630 1.00 0.00 H new ATOM 0 HA ARG A 57 1.703 4.180 7.962 1.00 0.00 H new ATOM 0 HB2 ARG A 57 1.128 1.807 8.152 1.00 0.00 H new ATOM 0 HB3 ARG A 57 2.669 1.454 8.908 1.00 0.00 H new ATOM 0 HG2 ARG A 57 1.021 1.527 10.647 1.00 0.00 H new ATOM 0 HG3 ARG A 57 2.019 2.957 10.821 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -0.087 3.904 11.007 1.00 0.00 H new ATOM 0 HD3 ARG A 57 0.186 4.089 9.286 1.00 0.00 H new ATOM 0 HE ARG A 57 -1.528 2.573 8.850 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -0.512 2.350 12.224 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -1.839 1.274 12.674 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -3.232 1.192 9.435 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -3.373 0.621 11.101 1.00 0.00 H new ATOM 889 N GLU A 58 4.526 3.337 9.487 1.00 0.00 N ATOM 890 CA GLU A 58 5.558 3.832 10.390 1.00 0.00 C ATOM 891 C GLU A 58 6.120 5.163 9.899 1.00 0.00 C ATOM 892 O GLU A 58 6.433 6.049 10.693 1.00 0.00 O ATOM 893 CB GLU A 58 6.686 2.807 10.522 1.00 0.00 C ATOM 894 CG GLU A 58 6.290 1.561 11.296 1.00 0.00 C ATOM 895 CD GLU A 58 6.088 1.833 12.774 1.00 0.00 C ATOM 896 OE1 GLU A 58 7.081 2.153 13.461 1.00 0.00 O ATOM 897 OE2 GLU A 58 4.935 1.726 13.244 1.00 0.00 O ATOM 0 H GLU A 58 4.658 2.372 9.183 1.00 0.00 H new ATOM 0 HA GLU A 58 5.103 3.989 11.368 1.00 0.00 H new ATOM 0 HB2 GLU A 58 7.018 2.515 9.526 1.00 0.00 H new ATOM 0 HB3 GLU A 58 7.536 3.277 11.017 1.00 0.00 H new ATOM 0 HG2 GLU A 58 5.370 1.154 10.876 1.00 0.00 H new ATOM 0 HG3 GLU A 58 7.061 0.800 11.172 1.00 0.00 H new ATOM 904 N LYS A 59 6.245 5.295 8.583 1.00 0.00 N ATOM 905 CA LYS A 59 6.768 6.517 7.982 1.00 0.00 C ATOM 906 C LYS A 59 5.788 7.672 8.159 1.00 0.00 C ATOM 907 O LYS A 59 6.186 8.795 8.471 1.00 0.00 O ATOM 908 CB LYS A 59 7.051 6.297 6.495 1.00 0.00 C ATOM 909 CG LYS A 59 8.213 5.356 6.229 1.00 0.00 C ATOM 910 CD LYS A 59 8.131 4.745 4.840 1.00 0.00 C ATOM 911 CE LYS A 59 8.457 5.767 3.762 1.00 0.00 C ATOM 912 NZ LYS A 59 9.042 5.128 2.551 1.00 0.00 N ATOM 0 H LYS A 59 5.991 4.570 7.911 1.00 0.00 H new ATOM 0 HA LYS A 59 7.699 6.773 8.488 1.00 0.00 H new ATOM 0 HB2 LYS A 59 6.155 5.898 6.019 1.00 0.00 H new ATOM 0 HB3 LYS A 59 7.259 7.259 6.027 1.00 0.00 H new ATOM 0 HG2 LYS A 59 9.153 5.898 6.334 1.00 0.00 H new ATOM 0 HG3 LYS A 59 8.218 4.563 6.976 1.00 0.00 H new ATOM 0 HD2 LYS A 59 8.823 3.906 4.769 1.00 0.00 H new ATOM 0 HD3 LYS A 59 7.130 4.347 4.675 1.00 0.00 H new ATOM 0 HE2 LYS A 59 7.550 6.306 3.486 1.00 0.00 H new ATOM 0 HE3 LYS A 59 9.157 6.503 4.159 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 10.023 5.450 2.428 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 9.028 4.094 2.663 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 8.484 5.393 1.715 1.00 0.00 H new ATOM 926 N LEU A 60 4.505 7.390 7.958 1.00 0.00 N ATOM 927 CA LEU A 60 3.468 8.406 8.097 1.00 0.00 C ATOM 928 C LEU A 60 3.474 9.003 9.501 1.00 0.00 C ATOM 929 O LEU A 60 3.646 10.210 9.672 1.00 0.00 O ATOM 930 CB LEU A 60 2.094 7.806 7.791 1.00 0.00 C ATOM 931 CG LEU A 60 1.071 8.755 7.168 1.00 0.00 C ATOM 932 CD1 LEU A 60 -0.311 8.119 7.159 1.00 0.00 C ATOM 933 CD2 LEU A 60 1.046 10.080 7.917 1.00 0.00 C ATOM 0 H LEU A 60 4.158 6.466 7.698 1.00 0.00 H new ATOM 0 HA LEU A 60 3.677 9.203 7.383 1.00 0.00 H new ATOM 0 HB2 LEU A 60 2.231 6.959 7.118 1.00 0.00 H new ATOM 0 HB3 LEU A 60 1.677 7.412 8.718 1.00 0.00 H new ATOM 0 HG LEU A 60 1.366 8.950 6.137 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -1.026 8.809 6.712 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -0.284 7.198 6.577 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -0.615 7.894 8.181 1.00 0.00 H new ATOM 0 HD21 LEU A 60 0.312 10.743 7.459 1.00 0.00 H new ATOM 0 HD22 LEU A 60 0.777 9.904 8.958 1.00 0.00 H new ATOM 0 HD23 LEU A 60 2.032 10.543 7.870 1.00 0.00 H new ATOM 945 N SER A 61 3.287 8.149 10.502 1.00 0.00 N ATOM 946 CA SER A 61 3.269 8.592 11.891 1.00 0.00 C ATOM 947 C SER A 61 4.603 9.222 12.277 1.00 0.00 C ATOM 948 O SER A 61 4.645 10.246 12.958 1.00 0.00 O ATOM 949 CB SER A 61 2.959 7.416 12.819 1.00 0.00 C ATOM 950 OG SER A 61 2.309 7.855 13.999 1.00 0.00 O ATOM 0 H SER A 61 3.146 7.147 10.377 1.00 0.00 H new ATOM 0 HA SER A 61 2.488 9.345 11.997 1.00 0.00 H new ATOM 0 HB2 SER A 61 2.328 6.695 12.299 1.00 0.00 H new ATOM 0 HB3 SER A 61 3.884 6.901 13.080 1.00 0.00 H new ATOM 0 HG SER A 61 2.120 7.085 14.574 1.00 0.00 H new ATOM 956 N SER A 62 5.693 8.601 11.837 1.00 0.00 N ATOM 957 CA SER A 62 7.031 9.097 12.140 1.00 0.00 C ATOM 958 C SER A 62 7.219 10.513 11.602 1.00 0.00 C ATOM 959 O SER A 62 8.092 11.251 12.056 1.00 0.00 O ATOM 960 CB SER A 62 8.090 8.168 11.544 1.00 0.00 C ATOM 961 OG SER A 62 8.229 6.991 12.320 1.00 0.00 O ATOM 0 H SER A 62 5.676 7.754 11.270 1.00 0.00 H new ATOM 0 HA SER A 62 7.147 9.119 13.224 1.00 0.00 H new ATOM 0 HB2 SER A 62 7.814 7.904 10.523 1.00 0.00 H new ATOM 0 HB3 SER A 62 9.047 8.688 11.491 1.00 0.00 H new ATOM 0 HG SER A 62 7.531 6.350 12.070 1.00 0.00 H new ATOM 967 N GLY A 63 6.392 10.884 10.629 1.00 0.00 N ATOM 968 CA GLY A 63 6.483 12.209 10.043 1.00 0.00 C ATOM 969 C GLY A 63 7.494 12.277 8.916 1.00 0.00 C ATOM 970 O GLY A 63 8.190 13.279 8.758 1.00 0.00 O ATOM 0 H GLY A 63 5.661 10.291 10.236 1.00 0.00 H new ATOM 0 HA2 GLY A 63 5.504 12.504 9.666 1.00 0.00 H new ATOM 0 HA3 GLY A 63 6.757 12.927 10.816 1.00 0.00 H new ATOM 974 N GLN A 64 7.575 11.207 8.131 1.00 0.00 N ATOM 975 CA GLN A 64 8.510 11.149 7.014 1.00 0.00 C ATOM 976 C GLN A 64 7.982 11.938 5.820 1.00 0.00 C ATOM 977 O GLN A 64 8.749 12.567 5.091 1.00 0.00 O ATOM 978 CB GLN A 64 8.763 9.696 6.608 1.00 0.00 C ATOM 979 CG GLN A 64 9.662 8.942 7.574 1.00 0.00 C ATOM 980 CD GLN A 64 10.472 7.857 6.891 1.00 0.00 C ATOM 981 OE1 GLN A 64 10.459 7.734 5.666 1.00 0.00 O ATOM 982 NE2 GLN A 64 11.184 7.063 7.683 1.00 0.00 N ATOM 0 H GLN A 64 7.005 10.369 8.248 1.00 0.00 H new ATOM 0 HA GLN A 64 9.450 11.598 7.336 1.00 0.00 H new ATOM 0 HB2 GLN A 64 7.808 9.177 6.533 1.00 0.00 H new ATOM 0 HB3 GLN A 64 9.214 9.678 5.616 1.00 0.00 H new ATOM 0 HG2 GLN A 64 10.339 9.645 8.058 1.00 0.00 H new ATOM 0 HG3 GLN A 64 9.052 8.495 8.359 1.00 0.00 H new ATOM 0 HE21 GLN A 64 11.165 7.201 8.693 1.00 0.00 H new ATOM 0 HE22 GLN A 64 11.749 6.315 7.281 1.00 0.00 H new ATOM 991 N TYR A 65 6.668 11.901 5.627 1.00 0.00 N ATOM 992 CA TYR A 65 6.038 12.610 4.520 1.00 0.00 C ATOM 993 C TYR A 65 5.801 14.075 4.876 1.00 0.00 C ATOM 994 O TYR A 65 5.084 14.402 5.822 1.00 0.00 O ATOM 995 CB TYR A 65 4.713 11.943 4.149 1.00 0.00 C ATOM 996 CG TYR A 65 4.851 10.482 3.786 1.00 0.00 C ATOM 997 CD1 TYR A 65 5.557 10.090 2.656 1.00 0.00 C ATOM 998 CD2 TYR A 65 4.274 9.493 4.574 1.00 0.00 C ATOM 999 CE1 TYR A 65 5.685 8.756 2.320 1.00 0.00 C ATOM 1000 CE2 TYR A 65 4.399 8.157 4.247 1.00 0.00 C ATOM 1001 CZ TYR A 65 5.105 7.793 3.119 1.00 0.00 C ATOM 1002 OH TYR A 65 5.230 6.463 2.789 1.00 0.00 O ATOM 0 H TYR A 65 6.019 11.387 6.223 1.00 0.00 H new ATOM 0 HA TYR A 65 6.711 12.567 3.664 1.00 0.00 H new ATOM 0 HB2 TYR A 65 4.022 12.037 4.987 1.00 0.00 H new ATOM 0 HB3 TYR A 65 4.270 12.477 3.309 1.00 0.00 H new ATOM 0 HD1 TYR A 65 6.014 10.841 2.029 1.00 0.00 H new ATOM 0 HD2 TYR A 65 3.719 9.774 5.457 1.00 0.00 H new ATOM 0 HE1 TYR A 65 6.236 8.469 1.437 1.00 0.00 H new ATOM 0 HE2 TYR A 65 3.946 7.401 4.871 1.00 0.00 H new ATOM 0 HH TYR A 65 5.825 6.372 2.015 1.00 0.00 H new ATOM 1012 N PRO A 66 6.417 14.978 4.100 1.00 0.00 N ATOM 1013 CA PRO A 66 6.289 16.423 4.312 1.00 0.00 C ATOM 1014 C PRO A 66 4.894 16.937 3.972 1.00 0.00 C ATOM 1015 O PRO A 66 4.425 17.916 4.550 1.00 0.00 O ATOM 1016 CB PRO A 66 7.326 17.016 3.354 1.00 0.00 C ATOM 1017 CG PRO A 66 7.483 15.991 2.285 1.00 0.00 C ATOM 1018 CD PRO A 66 7.287 14.659 2.955 1.00 0.00 C ATOM 0 HA PRO A 66 6.447 16.697 5.355 1.00 0.00 H new ATOM 0 HB2 PRO A 66 6.988 17.967 2.944 1.00 0.00 H new ATOM 0 HB3 PRO A 66 8.271 17.206 3.862 1.00 0.00 H new ATOM 0 HG2 PRO A 66 6.751 16.140 1.491 1.00 0.00 H new ATOM 0 HG3 PRO A 66 8.469 16.055 1.825 1.00 0.00 H new ATOM 0 HD2 PRO A 66 6.821 13.937 2.285 1.00 0.00 H new ATOM 0 HD3 PRO A 66 8.235 14.228 3.278 1.00 0.00 H new ATOM 1026 N ASN A 67 4.236 16.269 3.030 1.00 0.00 N ATOM 1027 CA ASN A 67 2.894 16.659 2.613 1.00 0.00 C ATOM 1028 C ASN A 67 2.136 15.468 2.036 1.00 0.00 C ATOM 1029 O ASN A 67 2.636 14.342 2.033 1.00 0.00 O ATOM 1030 CB ASN A 67 2.966 17.782 1.576 1.00 0.00 C ATOM 1031 CG ASN A 67 4.222 17.709 0.730 1.00 0.00 C ATOM 1032 OD1 ASN A 67 4.333 16.657 -0.073 1.00 0.00 O flip ATOM 1033 ND2 ASN A 67 5.082 18.587 0.797 1.00 0.00 N flip ATOM 0 H ASN A 67 4.610 15.456 2.541 1.00 0.00 H new ATOM 0 HA ASN A 67 2.358 17.018 3.491 1.00 0.00 H new ATOM 0 HB2 ASN A 67 2.091 17.731 0.928 1.00 0.00 H new ATOM 0 HB3 ASN A 67 2.930 18.745 2.085 1.00 0.00 H new ATOM 0 HD21 ASN A 67 4.955 19.378 1.428 1.00 0.00 H new ATOM 0 HD22 ASN A 67 5.922 18.524 0.221 1.00 0.00 H new ATOM 1040 N LEU A 68 0.927 15.723 1.547 1.00 0.00 N ATOM 1041 CA LEU A 68 0.099 14.672 0.966 1.00 0.00 C ATOM 1042 C LEU A 68 0.751 14.095 -0.286 1.00 0.00 C ATOM 1043 O LEU A 68 0.887 12.880 -0.423 1.00 0.00 O ATOM 1044 CB LEU A 68 -1.289 15.218 0.627 1.00 0.00 C ATOM 1045 CG LEU A 68 -1.965 16.055 1.714 1.00 0.00 C ATOM 1046 CD1 LEU A 68 -3.181 16.775 1.153 1.00 0.00 C ATOM 1047 CD2 LEU A 68 -2.357 15.180 2.895 1.00 0.00 C ATOM 0 H LEU A 68 0.499 16.649 1.541 1.00 0.00 H new ATOM 0 HA LEU A 68 -0.001 13.874 1.702 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -1.208 15.826 -0.274 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -1.940 14.377 0.387 1.00 0.00 H new ATOM 0 HG LEU A 68 -1.255 16.804 2.064 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -3.649 17.366 1.940 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -2.872 17.433 0.341 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -3.895 16.043 0.775 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -2.837 15.793 3.658 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -3.050 14.408 2.561 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -1.466 14.712 3.313 1.00 0.00 H new ATOM 1059 N GLU A 69 1.153 14.976 -1.197 1.00 0.00 N ATOM 1060 CA GLU A 69 1.792 14.553 -2.438 1.00 0.00 C ATOM 1061 C GLU A 69 2.678 13.332 -2.205 1.00 0.00 C ATOM 1062 O GLU A 69 2.377 12.233 -2.672 1.00 0.00 O ATOM 1063 CB GLU A 69 2.623 15.695 -3.025 1.00 0.00 C ATOM 1064 CG GLU A 69 3.111 15.429 -4.439 1.00 0.00 C ATOM 1065 CD GLU A 69 3.895 16.592 -5.015 1.00 0.00 C ATOM 1066 OE1 GLU A 69 3.458 17.748 -4.835 1.00 0.00 O ATOM 1067 OE2 GLU A 69 4.945 16.347 -5.644 1.00 0.00 O ATOM 0 H GLU A 69 1.048 15.986 -1.099 1.00 0.00 H new ATOM 0 HA GLU A 69 1.009 14.282 -3.146 1.00 0.00 H new ATOM 0 HB2 GLU A 69 2.026 16.607 -3.021 1.00 0.00 H new ATOM 0 HB3 GLU A 69 3.484 15.875 -2.381 1.00 0.00 H new ATOM 0 HG2 GLU A 69 3.737 14.537 -4.441 1.00 0.00 H new ATOM 0 HG3 GLU A 69 2.255 15.219 -5.081 1.00 0.00 H new ATOM 1074 N THR A 70 3.774 13.534 -1.480 1.00 0.00 N ATOM 1075 CA THR A 70 4.706 12.452 -1.186 1.00 0.00 C ATOM 1076 C THR A 70 3.967 11.198 -0.735 1.00 0.00 C ATOM 1077 O THR A 70 4.159 10.117 -1.294 1.00 0.00 O ATOM 1078 CB THR A 70 5.714 12.860 -0.095 1.00 0.00 C ATOM 1079 OG1 THR A 70 5.019 13.364 1.051 1.00 0.00 O ATOM 1080 CG2 THR A 70 6.676 13.917 -0.616 1.00 0.00 C ATOM 0 H THR A 70 4.038 14.437 -1.086 1.00 0.00 H new ATOM 0 HA THR A 70 5.246 12.240 -2.109 1.00 0.00 H new ATOM 0 HB THR A 70 6.287 11.977 0.188 1.00 0.00 H new ATOM 0 HG1 THR A 70 4.619 14.232 0.835 1.00 0.00 H new ATOM 0 HG21 THR A 70 7.378 14.190 0.172 1.00 0.00 H new ATOM 0 HG22 THR A 70 7.225 13.520 -1.470 1.00 0.00 H new ATOM 0 HG23 THR A 70 6.115 14.800 -0.923 1.00 0.00 H new ATOM 1088 N PHE A 71 3.120 11.347 0.278 1.00 0.00 N ATOM 1089 CA PHE A 71 2.352 10.225 0.805 1.00 0.00 C ATOM 1090 C PHE A 71 1.646 9.474 -0.321 1.00 0.00 C ATOM 1091 O PHE A 71 1.687 8.245 -0.382 1.00 0.00 O ATOM 1092 CB PHE A 71 1.325 10.717 1.827 1.00 0.00 C ATOM 1093 CG PHE A 71 0.393 9.641 2.306 1.00 0.00 C ATOM 1094 CD1 PHE A 71 -0.779 9.365 1.619 1.00 0.00 C ATOM 1095 CD2 PHE A 71 0.688 8.905 3.442 1.00 0.00 C ATOM 1096 CE1 PHE A 71 -1.639 8.376 2.058 1.00 0.00 C ATOM 1097 CE2 PHE A 71 -0.168 7.914 3.885 1.00 0.00 C ATOM 1098 CZ PHE A 71 -1.332 7.649 3.192 1.00 0.00 C ATOM 0 H PHE A 71 2.948 12.234 0.751 1.00 0.00 H new ATOM 0 HA PHE A 71 3.044 9.542 1.297 1.00 0.00 H new ATOM 0 HB2 PHE A 71 1.850 11.139 2.684 1.00 0.00 H new ATOM 0 HB3 PHE A 71 0.740 11.522 1.383 1.00 0.00 H new ATOM 0 HD1 PHE A 71 -1.023 9.929 0.731 1.00 0.00 H new ATOM 0 HD2 PHE A 71 1.597 9.108 3.988 1.00 0.00 H new ATOM 0 HE1 PHE A 71 -2.550 8.172 1.515 1.00 0.00 H new ATOM 0 HE2 PHE A 71 0.074 7.348 4.772 1.00 0.00 H new ATOM 0 HZ PHE A 71 -2.002 6.875 3.536 1.00 0.00 H new ATOM 1108 N ALA A 72 0.999 10.222 -1.208 1.00 0.00 N ATOM 1109 CA ALA A 72 0.285 9.628 -2.332 1.00 0.00 C ATOM 1110 C ALA A 72 1.240 8.877 -3.253 1.00 0.00 C ATOM 1111 O ALA A 72 1.014 7.711 -3.582 1.00 0.00 O ATOM 1112 CB ALA A 72 -0.465 10.701 -3.107 1.00 0.00 C ATOM 0 H ALA A 72 0.954 11.240 -1.170 1.00 0.00 H new ATOM 0 HA ALA A 72 -0.435 8.912 -1.936 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -0.993 10.243 -3.943 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -1.182 11.191 -2.449 1.00 0.00 H new ATOM 0 HB3 ALA A 72 0.243 11.439 -3.485 1.00 0.00 H new ATOM 1118 N LEU A 73 2.307 9.550 -3.668 1.00 0.00 N ATOM 1119 CA LEU A 73 3.297 8.946 -4.554 1.00 0.00 C ATOM 1120 C LEU A 73 3.664 7.543 -4.082 1.00 0.00 C ATOM 1121 O LEU A 73 3.679 6.597 -4.870 1.00 0.00 O ATOM 1122 CB LEU A 73 4.551 9.819 -4.619 1.00 0.00 C ATOM 1123 CG LEU A 73 4.458 11.062 -5.505 1.00 0.00 C ATOM 1124 CD1 LEU A 73 5.423 12.134 -5.023 1.00 0.00 C ATOM 1125 CD2 LEU A 73 4.738 10.704 -6.957 1.00 0.00 C ATOM 0 H LEU A 73 2.509 10.515 -3.405 1.00 0.00 H new ATOM 0 HA LEU A 73 2.861 8.872 -5.550 1.00 0.00 H new ATOM 0 HB2 LEU A 73 4.801 10.137 -3.607 1.00 0.00 H new ATOM 0 HB3 LEU A 73 5.379 9.205 -4.974 1.00 0.00 H new ATOM 0 HG LEU A 73 3.444 11.458 -5.438 1.00 0.00 H new ATOM 0 HD11 LEU A 73 5.343 13.011 -5.665 1.00 0.00 H new ATOM 0 HD12 LEU A 73 5.177 12.411 -3.998 1.00 0.00 H new ATOM 0 HD13 LEU A 73 6.442 11.749 -5.060 1.00 0.00 H new ATOM 0 HD21 LEU A 73 4.667 11.601 -7.573 1.00 0.00 H new ATOM 0 HD22 LEU A 73 5.740 10.284 -7.041 1.00 0.00 H new ATOM 0 HD23 LEU A 73 4.007 9.971 -7.298 1.00 0.00 H new ATOM 1137 N ASP A 74 3.956 7.415 -2.793 1.00 0.00 N ATOM 1138 CA ASP A 74 4.320 6.126 -2.215 1.00 0.00 C ATOM 1139 C ASP A 74 3.169 5.132 -2.336 1.00 0.00 C ATOM 1140 O ASP A 74 3.351 4.011 -2.809 1.00 0.00 O ATOM 1141 CB ASP A 74 4.714 6.294 -0.747 1.00 0.00 C ATOM 1142 CG ASP A 74 6.181 6.636 -0.576 1.00 0.00 C ATOM 1143 OD1 ASP A 74 6.667 7.535 -1.294 1.00 0.00 O ATOM 1144 OD2 ASP A 74 6.842 6.005 0.275 1.00 0.00 O ATOM 0 H ASP A 74 3.948 8.188 -2.128 1.00 0.00 H new ATOM 0 HA ASP A 74 5.173 5.735 -2.769 1.00 0.00 H new ATOM 0 HB2 ASP A 74 4.106 7.080 -0.299 1.00 0.00 H new ATOM 0 HB3 ASP A 74 4.493 5.373 -0.207 1.00 0.00 H new ATOM 1149 N VAL A 75 1.984 5.552 -1.903 1.00 0.00 N ATOM 1150 CA VAL A 75 0.803 4.699 -1.962 1.00 0.00 C ATOM 1151 C VAL A 75 0.565 4.187 -3.379 1.00 0.00 C ATOM 1152 O VAL A 75 0.626 2.985 -3.634 1.00 0.00 O ATOM 1153 CB VAL A 75 -0.454 5.447 -1.480 1.00 0.00 C ATOM 1154 CG1 VAL A 75 -1.666 4.528 -1.510 1.00 0.00 C ATOM 1155 CG2 VAL A 75 -0.236 6.010 -0.084 1.00 0.00 C ATOM 0 H VAL A 75 1.817 6.477 -1.508 1.00 0.00 H new ATOM 0 HA VAL A 75 0.990 3.853 -1.300 1.00 0.00 H new ATOM 0 HB VAL A 75 -0.642 6.280 -2.157 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -2.545 5.073 -1.166 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -1.832 4.178 -2.529 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -1.491 3.673 -0.857 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -1.134 6.535 0.241 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -0.022 5.195 0.608 1.00 0.00 H new ATOM 0 HG23 VAL A 75 0.605 6.704 -0.099 1.00 0.00 H new ATOM 1165 N ARG A 76 0.294 5.109 -4.297 1.00 0.00 N ATOM 1166 CA ARG A 76 0.046 4.752 -5.688 1.00 0.00 C ATOM 1167 C ARG A 76 1.026 3.680 -6.157 1.00 0.00 C ATOM 1168 O ARG A 76 0.657 2.769 -6.901 1.00 0.00 O ATOM 1169 CB ARG A 76 0.160 5.988 -6.583 1.00 0.00 C ATOM 1170 CG ARG A 76 -0.791 7.109 -6.196 1.00 0.00 C ATOM 1171 CD ARG A 76 -0.828 8.198 -7.256 1.00 0.00 C ATOM 1172 NE ARG A 76 -1.447 7.735 -8.496 1.00 0.00 N ATOM 1173 CZ ARG A 76 -2.760 7.630 -8.667 1.00 0.00 C ATOM 1174 NH1 ARG A 76 -3.588 7.954 -7.684 1.00 0.00 N ATOM 1175 NH2 ARG A 76 -3.246 7.201 -9.825 1.00 0.00 N ATOM 0 H ARG A 76 0.241 6.109 -4.102 1.00 0.00 H new ATOM 0 HA ARG A 76 -0.966 4.352 -5.759 1.00 0.00 H new ATOM 0 HB2 ARG A 76 1.183 6.361 -6.544 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -0.035 5.698 -7.616 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -1.793 6.705 -6.053 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -0.481 7.538 -5.243 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -1.380 9.057 -6.874 1.00 0.00 H new ATOM 0 HD3 ARG A 76 0.187 8.538 -7.462 1.00 0.00 H new ATOM 0 HE ARG A 76 -0.838 7.478 -9.273 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -3.217 8.285 -6.793 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -4.596 7.872 -7.818 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -2.611 6.952 -10.584 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -4.254 7.120 -9.956 1.00 0.00 H new ATOM 1189 N LEU A 77 2.274 3.795 -5.719 1.00 0.00 N ATOM 1190 CA LEU A 77 3.308 2.836 -6.094 1.00 0.00 C ATOM 1191 C LEU A 77 3.011 1.459 -5.509 1.00 0.00 C ATOM 1192 O LEU A 77 3.171 0.439 -6.180 1.00 0.00 O ATOM 1193 CB LEU A 77 4.678 3.321 -5.617 1.00 0.00 C ATOM 1194 CG LEU A 77 5.854 2.383 -5.891 1.00 0.00 C ATOM 1195 CD1 LEU A 77 6.372 2.574 -7.308 1.00 0.00 C ATOM 1196 CD2 LEU A 77 6.967 2.614 -4.879 1.00 0.00 C ATOM 0 H LEU A 77 2.595 4.542 -5.104 1.00 0.00 H new ATOM 0 HA LEU A 77 3.317 2.754 -7.181 1.00 0.00 H new ATOM 0 HB2 LEU A 77 4.887 4.281 -6.090 1.00 0.00 H new ATOM 0 HB3 LEU A 77 4.624 3.500 -4.543 1.00 0.00 H new ATOM 0 HG LEU A 77 5.505 1.355 -5.790 1.00 0.00 H new ATOM 0 HD11 LEU A 77 7.209 1.898 -7.484 1.00 0.00 H new ATOM 0 HD12 LEU A 77 5.575 2.357 -8.019 1.00 0.00 H new ATOM 0 HD13 LEU A 77 6.704 3.604 -7.438 1.00 0.00 H new ATOM 0 HD21 LEU A 77 7.796 1.938 -5.089 1.00 0.00 H new ATOM 0 HD22 LEU A 77 7.313 3.645 -4.948 1.00 0.00 H new ATOM 0 HD23 LEU A 77 6.590 2.424 -3.874 1.00 0.00 H new ATOM 1208 N VAL A 78 2.577 1.436 -4.252 1.00 0.00 N ATOM 1209 CA VAL A 78 2.254 0.185 -3.577 1.00 0.00 C ATOM 1210 C VAL A 78 1.399 -0.713 -4.464 1.00 0.00 C ATOM 1211 O VAL A 78 1.543 -1.936 -4.450 1.00 0.00 O ATOM 1212 CB VAL A 78 1.511 0.438 -2.252 1.00 0.00 C ATOM 1213 CG1 VAL A 78 1.139 -0.879 -1.589 1.00 0.00 C ATOM 1214 CG2 VAL A 78 2.359 1.292 -1.321 1.00 0.00 C ATOM 0 H VAL A 78 2.441 2.270 -3.681 1.00 0.00 H new ATOM 0 HA VAL A 78 3.200 -0.314 -3.365 1.00 0.00 H new ATOM 0 HB VAL A 78 0.591 0.981 -2.469 1.00 0.00 H new ATOM 0 HG11 VAL A 78 0.615 -0.680 -0.654 1.00 0.00 H new ATOM 0 HG12 VAL A 78 0.492 -1.451 -2.254 1.00 0.00 H new ATOM 0 HG13 VAL A 78 2.044 -1.451 -1.383 1.00 0.00 H new ATOM 0 HG21 VAL A 78 1.819 1.461 -0.389 1.00 0.00 H new ATOM 0 HG22 VAL A 78 3.296 0.778 -1.109 1.00 0.00 H new ATOM 0 HG23 VAL A 78 2.570 2.250 -1.797 1.00 0.00 H new ATOM 1224 N PHE A 79 0.508 -0.099 -5.235 1.00 0.00 N ATOM 1225 CA PHE A 79 -0.372 -0.842 -6.129 1.00 0.00 C ATOM 1226 C PHE A 79 0.230 -0.940 -7.528 1.00 0.00 C ATOM 1227 O PHE A 79 -0.130 -1.820 -8.310 1.00 0.00 O ATOM 1228 CB PHE A 79 -1.746 -0.174 -6.198 1.00 0.00 C ATOM 1229 CG PHE A 79 -2.309 0.179 -4.851 1.00 0.00 C ATOM 1230 CD1 PHE A 79 -2.471 -0.792 -3.876 1.00 0.00 C ATOM 1231 CD2 PHE A 79 -2.676 1.483 -4.559 1.00 0.00 C ATOM 1232 CE1 PHE A 79 -2.990 -0.470 -2.637 1.00 0.00 C ATOM 1233 CE2 PHE A 79 -3.195 1.812 -3.321 1.00 0.00 C ATOM 1234 CZ PHE A 79 -3.351 0.834 -2.358 1.00 0.00 C ATOM 0 H PHE A 79 0.376 0.912 -5.259 1.00 0.00 H new ATOM 0 HA PHE A 79 -0.486 -1.850 -5.731 1.00 0.00 H new ATOM 0 HB2 PHE A 79 -1.671 0.731 -6.800 1.00 0.00 H new ATOM 0 HB3 PHE A 79 -2.440 -0.841 -6.710 1.00 0.00 H new ATOM 0 HD1 PHE A 79 -2.188 -1.813 -4.087 1.00 0.00 H new ATOM 0 HD2 PHE A 79 -2.555 2.252 -5.308 1.00 0.00 H new ATOM 0 HE1 PHE A 79 -3.113 -1.237 -1.887 1.00 0.00 H new ATOM 0 HE2 PHE A 79 -3.478 2.832 -3.107 1.00 0.00 H new ATOM 0 HZ PHE A 79 -3.754 1.088 -1.389 1.00 0.00 H new ATOM 1244 N ASP A 80 1.147 -0.029 -7.835 1.00 0.00 N ATOM 1245 CA ASP A 80 1.799 -0.011 -9.139 1.00 0.00 C ATOM 1246 C ASP A 80 2.720 -1.216 -9.303 1.00 0.00 C ATOM 1247 O ASP A 80 2.602 -1.974 -10.265 1.00 0.00 O ATOM 1248 CB ASP A 80 2.596 1.282 -9.317 1.00 0.00 C ATOM 1249 CG ASP A 80 2.842 1.615 -10.776 1.00 0.00 C ATOM 1250 OD1 ASP A 80 1.883 1.538 -11.571 1.00 0.00 O ATOM 1251 OD2 ASP A 80 3.994 1.952 -11.121 1.00 0.00 O ATOM 0 H ASP A 80 1.455 0.706 -7.199 1.00 0.00 H new ATOM 0 HA ASP A 80 1.025 -0.060 -9.905 1.00 0.00 H new ATOM 0 HB2 ASP A 80 2.058 2.105 -8.845 1.00 0.00 H new ATOM 0 HB3 ASP A 80 3.552 1.190 -8.802 1.00 0.00 H new ATOM 1256 N ASN A 81 3.637 -1.387 -8.356 1.00 0.00 N ATOM 1257 CA ASN A 81 4.580 -2.499 -8.396 1.00 0.00 C ATOM 1258 C ASN A 81 3.844 -3.836 -8.385 1.00 0.00 C ATOM 1259 O ASN A 81 3.915 -4.602 -9.347 1.00 0.00 O ATOM 1260 CB ASN A 81 5.540 -2.424 -7.207 1.00 0.00 C ATOM 1261 CG ASN A 81 4.902 -1.790 -5.987 1.00 0.00 C ATOM 1262 OD1 ASN A 81 3.709 -1.963 -5.736 1.00 0.00 O ATOM 1263 ND2 ASN A 81 5.695 -1.049 -5.222 1.00 0.00 N ATOM 0 H ASN A 81 3.747 -0.770 -7.552 1.00 0.00 H new ATOM 0 HA ASN A 81 5.151 -2.425 -9.321 1.00 0.00 H new ATOM 0 HB2 ASN A 81 5.881 -3.428 -6.955 1.00 0.00 H new ATOM 0 HB3 ASN A 81 6.422 -1.850 -7.492 1.00 0.00 H new ATOM 0 HD21 ASN A 81 5.321 -0.596 -4.388 1.00 0.00 H new ATOM 0 HD22 ASN A 81 6.678 -0.933 -5.468 1.00 0.00 H new ATOM 1270 N CYS A 82 3.138 -4.108 -7.294 1.00 0.00 N ATOM 1271 CA CYS A 82 2.389 -5.352 -7.157 1.00 0.00 C ATOM 1272 C CYS A 82 1.744 -5.746 -8.482 1.00 0.00 C ATOM 1273 O CYS A 82 1.952 -6.852 -8.979 1.00 0.00 O ATOM 1274 CB CYS A 82 1.317 -5.210 -6.076 1.00 0.00 C ATOM 1275 SG CYS A 82 1.923 -5.484 -4.395 1.00 0.00 S ATOM 0 H CYS A 82 3.068 -3.484 -6.491 1.00 0.00 H new ATOM 0 HA CYS A 82 3.086 -6.137 -6.865 1.00 0.00 H new ATOM 0 HB2 CYS A 82 0.885 -4.211 -6.137 1.00 0.00 H new ATOM 0 HB3 CYS A 82 0.514 -5.918 -6.281 1.00 0.00 H new ATOM 0 HG CYS A 82 1.134 -4.893 -3.548 1.00 0.00 H new ATOM 1281 N GLU A 83 0.960 -4.833 -9.047 1.00 0.00 N ATOM 1282 CA GLU A 83 0.283 -5.088 -10.313 1.00 0.00 C ATOM 1283 C GLU A 83 1.289 -5.414 -11.413 1.00 0.00 C ATOM 1284 O GLU A 83 1.036 -6.260 -12.272 1.00 0.00 O ATOM 1285 CB GLU A 83 -0.558 -3.875 -10.720 1.00 0.00 C ATOM 1286 CG GLU A 83 -1.321 -4.072 -12.019 1.00 0.00 C ATOM 1287 CD GLU A 83 -2.387 -5.145 -11.913 1.00 0.00 C ATOM 1288 OE1 GLU A 83 -3.367 -4.935 -11.167 1.00 0.00 O ATOM 1289 OE2 GLU A 83 -2.243 -6.194 -12.574 1.00 0.00 O ATOM 0 H GLU A 83 0.778 -3.912 -8.649 1.00 0.00 H new ATOM 0 HA GLU A 83 -0.373 -5.948 -10.178 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -1.267 -3.651 -9.923 1.00 0.00 H new ATOM 0 HB3 GLU A 83 0.095 -3.008 -10.820 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -1.787 -3.130 -12.309 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -0.621 -4.338 -12.811 1.00 0.00 H new ATOM 1296 N THR A 84 2.432 -4.736 -11.381 1.00 0.00 N ATOM 1297 CA THR A 84 3.477 -4.952 -12.374 1.00 0.00 C ATOM 1298 C THR A 84 4.074 -6.348 -12.250 1.00 0.00 C ATOM 1299 O THR A 84 3.999 -7.152 -13.180 1.00 0.00 O ATOM 1300 CB THR A 84 4.603 -3.910 -12.240 1.00 0.00 C ATOM 1301 OG1 THR A 84 4.113 -2.611 -12.589 1.00 0.00 O ATOM 1302 CG2 THR A 84 5.782 -4.269 -13.132 1.00 0.00 C ATOM 0 H THR A 84 2.658 -4.032 -10.678 1.00 0.00 H new ATOM 0 HA THR A 84 3.009 -4.846 -13.353 1.00 0.00 H new ATOM 0 HB THR A 84 4.940 -3.904 -11.204 1.00 0.00 H new ATOM 0 HG1 THR A 84 3.573 -2.256 -11.852 1.00 0.00 H new ATOM 0 HG21 THR A 84 6.565 -3.519 -13.020 1.00 0.00 H new ATOM 0 HG22 THR A 84 6.172 -5.245 -12.844 1.00 0.00 H new ATOM 0 HG23 THR A 84 5.455 -4.301 -14.171 1.00 0.00 H new ATOM 1310 N PHE A 85 4.668 -6.632 -11.095 1.00 0.00 N ATOM 1311 CA PHE A 85 5.279 -7.933 -10.849 1.00 0.00 C ATOM 1312 C PHE A 85 4.237 -9.046 -10.920 1.00 0.00 C ATOM 1313 O PHE A 85 4.391 -10.008 -11.671 1.00 0.00 O ATOM 1314 CB PHE A 85 5.965 -7.948 -9.481 1.00 0.00 C ATOM 1315 CG PHE A 85 6.989 -9.037 -9.336 1.00 0.00 C ATOM 1316 CD1 PHE A 85 8.305 -8.824 -9.712 1.00 0.00 C ATOM 1317 CD2 PHE A 85 6.635 -10.275 -8.823 1.00 0.00 C ATOM 1318 CE1 PHE A 85 9.250 -9.824 -9.579 1.00 0.00 C ATOM 1319 CE2 PHE A 85 7.575 -11.278 -8.687 1.00 0.00 C ATOM 1320 CZ PHE A 85 8.884 -11.053 -9.067 1.00 0.00 C ATOM 0 H PHE A 85 4.739 -5.979 -10.315 1.00 0.00 H new ATOM 0 HA PHE A 85 6.025 -8.108 -11.624 1.00 0.00 H new ATOM 0 HB2 PHE A 85 6.445 -6.984 -9.314 1.00 0.00 H new ATOM 0 HB3 PHE A 85 5.208 -8.066 -8.705 1.00 0.00 H new ATOM 0 HD1 PHE A 85 8.596 -7.865 -10.114 1.00 0.00 H new ATOM 0 HD2 PHE A 85 5.613 -10.458 -8.526 1.00 0.00 H new ATOM 0 HE1 PHE A 85 10.273 -9.644 -9.875 1.00 0.00 H new ATOM 0 HE2 PHE A 85 7.287 -12.238 -8.284 1.00 0.00 H new ATOM 0 HZ PHE A 85 9.620 -11.837 -8.964 1.00 0.00 H new ATOM 1330 N ASN A 86 3.176 -8.906 -10.131 1.00 0.00 N ATOM 1331 CA ASN A 86 2.109 -9.900 -10.103 1.00 0.00 C ATOM 1332 C ASN A 86 1.098 -9.643 -11.217 1.00 0.00 C ATOM 1333 O ASN A 86 0.690 -8.506 -11.447 1.00 0.00 O ATOM 1334 CB ASN A 86 1.404 -9.883 -8.745 1.00 0.00 C ATOM 1335 CG ASN A 86 2.368 -10.080 -7.591 1.00 0.00 C ATOM 1336 OD1 ASN A 86 2.506 -11.185 -7.065 1.00 0.00 O ATOM 1337 ND2 ASN A 86 3.040 -9.007 -7.192 1.00 0.00 N ATOM 0 H ASN A 86 3.033 -8.115 -9.503 1.00 0.00 H new ATOM 0 HA ASN A 86 2.556 -10.882 -10.261 1.00 0.00 H new ATOM 0 HB2 ASN A 86 0.882 -8.934 -8.621 1.00 0.00 H new ATOM 0 HB3 ASN A 86 0.648 -10.668 -8.721 1.00 0.00 H new ATOM 0 HD21 ASN A 86 3.703 -9.078 -6.420 1.00 0.00 H new ATOM 0 HD22 ASN A 86 2.894 -8.111 -7.657 1.00 0.00 H new ATOM 1383 N SER A 90 -3.301 -13.206 -11.140 1.00 0.00 N ATOM 1384 CA SER A 90 -2.812 -13.731 -9.871 1.00 0.00 C ATOM 1385 C SER A 90 -3.589 -13.136 -8.701 1.00 0.00 C ATOM 1386 O SER A 90 -4.068 -12.004 -8.771 1.00 0.00 O ATOM 1387 CB SER A 90 -1.320 -13.431 -9.712 1.00 0.00 C ATOM 1388 OG SER A 90 -1.110 -12.095 -9.290 1.00 0.00 O ATOM 0 HA SER A 90 -2.961 -14.811 -9.872 1.00 0.00 H new ATOM 0 HB2 SER A 90 -0.883 -14.118 -8.987 1.00 0.00 H new ATOM 0 HB3 SER A 90 -0.809 -13.601 -10.660 1.00 0.00 H new ATOM 0 HG SER A 90 -0.816 -11.553 -10.052 1.00 0.00 H new ATOM 1394 N ASP A 91 -3.710 -13.907 -7.626 1.00 0.00 N ATOM 1395 CA ASP A 91 -4.429 -13.457 -6.439 1.00 0.00 C ATOM 1396 C ASP A 91 -4.117 -11.995 -6.137 1.00 0.00 C ATOM 1397 O ASP A 91 -4.988 -11.130 -6.242 1.00 0.00 O ATOM 1398 CB ASP A 91 -4.064 -14.328 -5.236 1.00 0.00 C ATOM 1399 CG ASP A 91 -4.330 -15.800 -5.485 1.00 0.00 C ATOM 1400 OD1 ASP A 91 -3.517 -16.439 -6.185 1.00 0.00 O ATOM 1401 OD2 ASP A 91 -5.350 -16.312 -4.979 1.00 0.00 O ATOM 0 H ASP A 91 -3.320 -14.846 -7.552 1.00 0.00 H new ATOM 0 HA ASP A 91 -5.497 -13.549 -6.634 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -3.010 -14.188 -4.996 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -4.635 -14.000 -4.367 1.00 0.00 H new ATOM 1406 N ILE A 92 -2.871 -11.726 -5.763 1.00 0.00 N ATOM 1407 CA ILE A 92 -2.445 -10.368 -5.446 1.00 0.00 C ATOM 1408 C ILE A 92 -2.852 -9.394 -6.546 1.00 0.00 C ATOM 1409 O ILE A 92 -3.404 -8.329 -6.273 1.00 0.00 O ATOM 1410 CB ILE A 92 -0.921 -10.289 -5.243 1.00 0.00 C ATOM 1411 CG1 ILE A 92 -0.508 -11.073 -3.996 1.00 0.00 C ATOM 1412 CG2 ILE A 92 -0.475 -8.838 -5.136 1.00 0.00 C ATOM 1413 CD1 ILE A 92 0.978 -11.027 -3.717 1.00 0.00 C ATOM 0 H ILE A 92 -2.139 -12.430 -5.672 1.00 0.00 H new ATOM 0 HA ILE A 92 -2.941 -10.090 -4.516 1.00 0.00 H new ATOM 0 HB ILE A 92 -0.431 -10.736 -6.108 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -1.044 -10.676 -3.134 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -0.816 -12.112 -4.112 1.00 0.00 H new ATOM 0 HG21 ILE A 92 0.605 -8.799 -4.993 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -0.739 -8.308 -6.051 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -0.971 -8.367 -4.288 1.00 0.00 H new ATOM 0 HD11 ILE A 92 1.198 -11.604 -2.819 1.00 0.00 H new ATOM 0 HD12 ILE A 92 1.520 -11.451 -4.562 1.00 0.00 H new ATOM 0 HD13 ILE A 92 1.289 -9.993 -3.569 1.00 0.00 H new ATOM 1425 N GLY A 93 -2.577 -9.767 -7.792 1.00 0.00 N ATOM 1426 CA GLY A 93 -2.923 -8.916 -8.915 1.00 0.00 C ATOM 1427 C GLY A 93 -4.318 -8.337 -8.795 1.00 0.00 C ATOM 1428 O GLY A 93 -4.490 -7.118 -8.753 1.00 0.00 O ATOM 0 H GLY A 93 -2.121 -10.644 -8.044 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -2.200 -8.103 -8.987 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -2.850 -9.490 -9.838 1.00 0.00 H new ATOM 1432 N ARG A 94 -5.318 -9.211 -8.742 1.00 0.00 N ATOM 1433 CA ARG A 94 -6.706 -8.780 -8.630 1.00 0.00 C ATOM 1434 C ARG A 94 -6.875 -7.788 -7.482 1.00 0.00 C ATOM 1435 O ARG A 94 -7.492 -6.735 -7.645 1.00 0.00 O ATOM 1436 CB ARG A 94 -7.622 -9.986 -8.416 1.00 0.00 C ATOM 1437 CG ARG A 94 -7.536 -11.020 -9.526 1.00 0.00 C ATOM 1438 CD ARG A 94 -8.566 -12.123 -9.340 1.00 0.00 C ATOM 1439 NE ARG A 94 -8.986 -12.701 -10.615 1.00 0.00 N ATOM 1440 CZ ARG A 94 -10.129 -13.356 -10.783 1.00 0.00 C ATOM 1441 NH1 ARG A 94 -10.962 -13.516 -9.764 1.00 0.00 N ATOM 1442 NH2 ARG A 94 -10.441 -13.853 -11.974 1.00 0.00 N ATOM 0 H ARG A 94 -5.192 -10.223 -8.775 1.00 0.00 H new ATOM 0 HA ARG A 94 -6.983 -8.284 -9.560 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -7.368 -10.461 -7.468 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -8.652 -9.639 -8.333 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -7.691 -10.535 -10.490 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -6.536 -11.454 -9.544 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -8.148 -12.906 -8.707 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -9.436 -11.723 -8.819 1.00 0.00 H new ATOM 0 HE ARG A 94 -8.368 -12.596 -11.419 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -10.726 -13.135 -8.848 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -11.839 -14.020 -9.896 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -9.803 -13.732 -12.760 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -11.319 -14.356 -12.103 1.00 0.00 H new ATOM 1456 N ALA A 95 -6.325 -8.133 -6.323 1.00 0.00 N ATOM 1457 CA ALA A 95 -6.415 -7.274 -5.149 1.00 0.00 C ATOM 1458 C ALA A 95 -6.166 -5.815 -5.517 1.00 0.00 C ATOM 1459 O ALA A 95 -7.010 -4.952 -5.278 1.00 0.00 O ATOM 1460 CB ALA A 95 -5.425 -7.728 -4.086 1.00 0.00 C ATOM 0 H ALA A 95 -5.812 -9.002 -6.172 1.00 0.00 H new ATOM 0 HA ALA A 95 -7.425 -7.354 -4.747 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -5.503 -7.078 -3.215 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -5.649 -8.754 -3.794 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -4.413 -7.678 -4.487 1.00 0.00 H new ATOM 1466 N GLY A 96 -5.002 -5.546 -6.100 1.00 0.00 N ATOM 1467 CA GLY A 96 -4.663 -4.190 -6.491 1.00 0.00 C ATOM 1468 C GLY A 96 -5.829 -3.463 -7.132 1.00 0.00 C ATOM 1469 O GLY A 96 -6.278 -2.432 -6.631 1.00 0.00 O ATOM 0 H GLY A 96 -4.287 -6.243 -6.309 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -4.330 -3.635 -5.614 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -3.826 -4.215 -7.189 1.00 0.00 H new ATOM 1473 N HIS A 97 -6.320 -4.000 -8.244 1.00 0.00 N ATOM 1474 CA HIS A 97 -7.440 -3.395 -8.956 1.00 0.00 C ATOM 1475 C HIS A 97 -8.548 -2.996 -7.985 1.00 0.00 C ATOM 1476 O HIS A 97 -9.213 -1.978 -8.173 1.00 0.00 O ATOM 1477 CB HIS A 97 -7.989 -4.363 -10.004 1.00 0.00 C ATOM 1478 CG HIS A 97 -7.180 -4.403 -11.264 1.00 0.00 C ATOM 1479 ND1 HIS A 97 -6.797 -3.270 -11.949 1.00 0.00 N ATOM 1480 CD2 HIS A 97 -6.679 -5.450 -11.961 1.00 0.00 C ATOM 1481 CE1 HIS A 97 -6.097 -3.617 -13.014 1.00 0.00 C ATOM 1482 NE2 HIS A 97 -6.010 -4.934 -13.045 1.00 0.00 N ATOM 0 H HIS A 97 -5.960 -4.853 -8.672 1.00 0.00 H new ATOM 0 HA HIS A 97 -7.078 -2.497 -9.457 1.00 0.00 H new ATOM 0 HB2 HIS A 97 -8.029 -5.365 -9.576 1.00 0.00 H new ATOM 0 HB3 HIS A 97 -9.013 -4.079 -10.248 1.00 0.00 H new ATOM 0 HD2 HIS A 97 -6.785 -6.495 -11.712 1.00 0.00 H new ATOM 0 HE1 HIS A 97 -5.669 -2.939 -13.737 1.00 0.00 H new ATOM 0 HE2 HIS A 97 -5.525 -5.480 -13.757 1.00 0.00 H new ATOM 1490 N ASN A 98 -8.740 -3.805 -6.949 1.00 0.00 N ATOM 1491 CA ASN A 98 -9.768 -3.537 -5.950 1.00 0.00 C ATOM 1492 C ASN A 98 -9.339 -2.408 -5.017 1.00 0.00 C ATOM 1493 O ASN A 98 -10.155 -1.582 -4.610 1.00 0.00 O ATOM 1494 CB ASN A 98 -10.063 -4.800 -5.139 1.00 0.00 C ATOM 1495 CG ASN A 98 -11.154 -5.647 -5.764 1.00 0.00 C ATOM 1496 OD1 ASN A 98 -11.807 -5.231 -6.721 1.00 0.00 O ATOM 1497 ND2 ASN A 98 -11.356 -6.844 -5.224 1.00 0.00 N ATOM 0 H ASN A 98 -8.197 -4.652 -6.779 1.00 0.00 H new ATOM 0 HA ASN A 98 -10.674 -3.229 -6.472 1.00 0.00 H new ATOM 0 HB2 ASN A 98 -9.152 -5.393 -5.051 1.00 0.00 H new ATOM 0 HB3 ASN A 98 -10.359 -4.519 -4.129 1.00 0.00 H new ATOM 0 HD21 ASN A 98 -12.076 -7.459 -5.602 1.00 0.00 H new ATOM 0 HD22 ASN A 98 -10.791 -7.148 -4.431 1.00 0.00 H new ATOM 1504 N MET A 99 -8.053 -2.381 -4.682 1.00 0.00 N ATOM 1505 CA MET A 99 -7.515 -1.354 -3.799 1.00 0.00 C ATOM 1506 C MET A 99 -7.466 -0.002 -4.504 1.00 0.00 C ATOM 1507 O MET A 99 -8.056 0.973 -4.038 1.00 0.00 O ATOM 1508 CB MET A 99 -6.115 -1.743 -3.321 1.00 0.00 C ATOM 1509 CG MET A 99 -6.099 -2.966 -2.418 1.00 0.00 C ATOM 1510 SD MET A 99 -7.243 -2.819 -1.031 1.00 0.00 S ATOM 1511 CE MET A 99 -6.699 -1.275 -0.305 1.00 0.00 C ATOM 0 H MET A 99 -7.365 -3.059 -5.009 1.00 0.00 H new ATOM 0 HA MET A 99 -8.176 -1.271 -2.936 1.00 0.00 H new ATOM 0 HB2 MET A 99 -5.484 -1.934 -4.189 1.00 0.00 H new ATOM 0 HB3 MET A 99 -5.676 -0.901 -2.786 1.00 0.00 H new ATOM 0 HG2 MET A 99 -6.355 -3.849 -3.004 1.00 0.00 H new ATOM 0 HG3 MET A 99 -5.089 -3.118 -2.037 1.00 0.00 H new ATOM 0 HE1 MET A 99 -7.159 -1.152 0.675 1.00 0.00 H new ATOM 0 HE2 MET A 99 -5.614 -1.286 -0.198 1.00 0.00 H new ATOM 0 HE3 MET A 99 -6.992 -0.447 -0.950 1.00 0.00 H new ATOM 1521 N ARG A 100 -6.760 0.049 -5.629 1.00 0.00 N ATOM 1522 CA ARG A 100 -6.633 1.282 -6.396 1.00 0.00 C ATOM 1523 C ARG A 100 -7.988 1.967 -6.551 1.00 0.00 C ATOM 1524 O ARG A 100 -8.131 3.156 -6.264 1.00 0.00 O ATOM 1525 CB ARG A 100 -6.037 0.990 -7.775 1.00 0.00 C ATOM 1526 CG ARG A 100 -6.037 2.192 -8.705 1.00 0.00 C ATOM 1527 CD ARG A 100 -6.145 1.770 -10.161 1.00 0.00 C ATOM 1528 NE ARG A 100 -4.886 1.231 -10.670 1.00 0.00 N ATOM 1529 CZ ARG A 100 -4.756 0.676 -11.870 1.00 0.00 C ATOM 1530 NH1 ARG A 100 -5.801 0.589 -12.681 1.00 0.00 N ATOM 1531 NH2 ARG A 100 -3.577 0.208 -12.261 1.00 0.00 N ATOM 0 H ARG A 100 -6.267 -0.749 -6.029 1.00 0.00 H new ATOM 0 HA ARG A 100 -5.966 1.952 -5.853 1.00 0.00 H new ATOM 0 HB2 ARG A 100 -5.013 0.637 -7.652 1.00 0.00 H new ATOM 0 HB3 ARG A 100 -6.600 0.181 -8.241 1.00 0.00 H new ATOM 0 HG2 ARG A 100 -6.870 2.848 -8.453 1.00 0.00 H new ATOM 0 HG3 ARG A 100 -5.122 2.767 -8.559 1.00 0.00 H new ATOM 0 HD2 ARG A 100 -6.928 1.019 -10.264 1.00 0.00 H new ATOM 0 HD3 ARG A 100 -6.443 2.627 -10.765 1.00 0.00 H new ATOM 0 HE ARG A 100 -4.062 1.284 -10.071 1.00 0.00 H new ATOM 0 HH11 ARG A 100 -6.708 0.949 -12.384 1.00 0.00 H new ATOM 0 HH12 ARG A 100 -5.698 0.162 -13.602 1.00 0.00 H new ATOM 0 HH21 ARG A 100 -2.771 0.274 -11.640 1.00 0.00 H new ATOM 0 HH22 ARG A 100 -3.478 -0.218 -13.182 1.00 0.00 H new ATOM 1545 N LYS A 101 -8.980 1.210 -7.008 1.00 0.00 N ATOM 1546 CA LYS A 101 -10.323 1.743 -7.201 1.00 0.00 C ATOM 1547 C LYS A 101 -10.857 2.352 -5.908 1.00 0.00 C ATOM 1548 O LYS A 101 -11.694 3.255 -5.936 1.00 0.00 O ATOM 1549 CB LYS A 101 -11.267 0.639 -7.685 1.00 0.00 C ATOM 1550 CG LYS A 101 -11.588 -0.396 -6.621 1.00 0.00 C ATOM 1551 CD LYS A 101 -12.964 -1.005 -6.833 1.00 0.00 C ATOM 1552 CE LYS A 101 -13.573 -1.477 -5.522 1.00 0.00 C ATOM 1553 NZ LYS A 101 -12.776 -2.571 -4.902 1.00 0.00 N ATOM 0 H LYS A 101 -8.879 0.225 -7.252 1.00 0.00 H new ATOM 0 HA LYS A 101 -10.271 2.526 -7.957 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -12.196 1.093 -8.031 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -10.818 0.139 -8.543 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -10.834 -1.183 -6.638 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -11.542 0.068 -5.636 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -13.621 -0.269 -7.296 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -12.889 -1.845 -7.524 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -13.638 -0.638 -4.829 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -14.591 -1.825 -5.699 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -13.251 -2.899 -4.037 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -12.692 -3.362 -5.572 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -11.828 -2.217 -4.663 1.00 0.00 H new ATOM 1567 N TYR A 102 -10.368 1.855 -4.778 1.00 0.00 N ATOM 1568 CA TYR A 102 -10.797 2.350 -3.476 1.00 0.00 C ATOM 1569 C TYR A 102 -9.984 3.574 -3.064 1.00 0.00 C ATOM 1570 O TYR A 102 -10.520 4.528 -2.500 1.00 0.00 O ATOM 1571 CB TYR A 102 -10.659 1.253 -2.419 1.00 0.00 C ATOM 1572 CG TYR A 102 -10.877 1.744 -1.005 1.00 0.00 C ATOM 1573 CD1 TYR A 102 -11.769 2.775 -0.737 1.00 0.00 C ATOM 1574 CD2 TYR A 102 -10.191 1.177 0.062 1.00 0.00 C ATOM 1575 CE1 TYR A 102 -11.971 3.227 0.553 1.00 0.00 C ATOM 1576 CE2 TYR A 102 -10.388 1.621 1.355 1.00 0.00 C ATOM 1577 CZ TYR A 102 -11.279 2.647 1.595 1.00 0.00 C ATOM 1578 OH TYR A 102 -11.476 3.093 2.882 1.00 0.00 O ATOM 0 H TYR A 102 -9.674 1.109 -4.737 1.00 0.00 H new ATOM 0 HA TYR A 102 -11.845 2.641 -3.553 1.00 0.00 H new ATOM 0 HB2 TYR A 102 -11.376 0.461 -2.634 1.00 0.00 H new ATOM 0 HB3 TYR A 102 -9.665 0.812 -2.492 1.00 0.00 H new ATOM 0 HD1 TYR A 102 -12.314 3.231 -1.551 1.00 0.00 H new ATOM 0 HD2 TYR A 102 -9.492 0.375 -0.123 1.00 0.00 H new ATOM 0 HE1 TYR A 102 -12.667 4.030 0.744 1.00 0.00 H new ATOM 0 HE2 TYR A 102 -9.848 1.168 2.173 1.00 0.00 H new ATOM 0 HH TYR A 102 -12.204 2.584 3.297 1.00 0.00 H new ATOM 1588 N PHE A 103 -8.687 3.539 -3.351 1.00 0.00 N ATOM 1589 CA PHE A 103 -7.799 4.644 -3.010 1.00 0.00 C ATOM 1590 C PHE A 103 -8.242 5.931 -3.700 1.00 0.00 C ATOM 1591 O PHE A 103 -8.104 7.022 -3.148 1.00 0.00 O ATOM 1592 CB PHE A 103 -6.359 4.310 -3.407 1.00 0.00 C ATOM 1593 CG PHE A 103 -5.413 5.467 -3.262 1.00 0.00 C ATOM 1594 CD1 PHE A 103 -5.184 6.040 -2.021 1.00 0.00 C ATOM 1595 CD2 PHE A 103 -4.753 5.983 -4.365 1.00 0.00 C ATOM 1596 CE1 PHE A 103 -4.314 7.105 -1.883 1.00 0.00 C ATOM 1597 CE2 PHE A 103 -3.881 7.047 -4.234 1.00 0.00 C ATOM 1598 CZ PHE A 103 -3.662 7.610 -2.991 1.00 0.00 C ATOM 0 H PHE A 103 -8.228 2.758 -3.819 1.00 0.00 H new ATOM 0 HA PHE A 103 -7.846 4.795 -1.932 1.00 0.00 H new ATOM 0 HB2 PHE A 103 -6.004 3.482 -2.793 1.00 0.00 H new ATOM 0 HB3 PHE A 103 -6.346 3.968 -4.442 1.00 0.00 H new ATOM 0 HD1 PHE A 103 -5.692 5.650 -1.151 1.00 0.00 H new ATOM 0 HD2 PHE A 103 -4.922 5.549 -5.339 1.00 0.00 H new ATOM 0 HE1 PHE A 103 -4.144 7.542 -0.910 1.00 0.00 H new ATOM 0 HE2 PHE A 103 -3.371 7.438 -5.102 1.00 0.00 H new ATOM 0 HZ PHE A 103 -2.983 8.443 -2.886 1.00 0.00 H new ATOM 1608 N GLU A 104 -8.776 5.793 -4.910 1.00 0.00 N ATOM 1609 CA GLU A 104 -9.238 6.945 -5.675 1.00 0.00 C ATOM 1610 C GLU A 104 -10.591 7.431 -5.163 1.00 0.00 C ATOM 1611 O GLU A 104 -10.734 8.582 -4.749 1.00 0.00 O ATOM 1612 CB GLU A 104 -9.341 6.591 -7.160 1.00 0.00 C ATOM 1613 CG GLU A 104 -8.031 6.111 -7.764 1.00 0.00 C ATOM 1614 CD GLU A 104 -8.041 6.143 -9.279 1.00 0.00 C ATOM 1615 OE1 GLU A 104 -8.611 5.214 -9.889 1.00 0.00 O ATOM 1616 OE2 GLU A 104 -7.478 7.097 -9.856 1.00 0.00 O ATOM 0 H GLU A 104 -8.899 4.896 -5.381 1.00 0.00 H new ATOM 0 HA GLU A 104 -8.511 7.747 -5.549 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -10.096 5.816 -7.288 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -9.686 7.466 -7.710 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -7.216 6.734 -7.397 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -7.831 5.094 -7.427 1.00 0.00 H new ATOM 1623 N LYS A 105 -11.581 6.546 -5.194 1.00 0.00 N ATOM 1624 CA LYS A 105 -12.923 6.883 -4.732 1.00 0.00 C ATOM 1625 C LYS A 105 -12.886 7.448 -3.316 1.00 0.00 C ATOM 1626 O LYS A 105 -13.709 8.287 -2.950 1.00 0.00 O ATOM 1627 CB LYS A 105 -13.824 5.647 -4.776 1.00 0.00 C ATOM 1628 CG LYS A 105 -15.296 5.973 -4.963 1.00 0.00 C ATOM 1629 CD LYS A 105 -15.590 6.428 -6.382 1.00 0.00 C ATOM 1630 CE LYS A 105 -16.835 7.300 -6.441 1.00 0.00 C ATOM 1631 NZ LYS A 105 -18.083 6.487 -6.418 1.00 0.00 N ATOM 0 H LYS A 105 -11.480 5.590 -5.534 1.00 0.00 H new ATOM 0 HA LYS A 105 -13.328 7.645 -5.397 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -13.498 4.999 -5.589 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -13.700 5.084 -3.851 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -15.897 5.094 -4.730 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -15.589 6.754 -4.261 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -14.737 6.983 -6.771 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -15.723 5.557 -7.024 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -16.835 7.990 -5.597 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -16.812 7.905 -7.347 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -18.909 7.118 -6.460 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -18.095 5.846 -7.237 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -18.118 5.929 -5.541 1.00 0.00 H new ATOM 1645 N LYS A 106 -11.925 6.985 -2.524 1.00 0.00 N ATOM 1646 CA LYS A 106 -11.777 7.446 -1.149 1.00 0.00 C ATOM 1647 C LYS A 106 -11.025 8.772 -1.097 1.00 0.00 C ATOM 1648 O LYS A 106 -11.538 9.767 -0.587 1.00 0.00 O ATOM 1649 CB LYS A 106 -11.040 6.396 -0.314 1.00 0.00 C ATOM 1650 CG LYS A 106 -10.806 6.820 1.126 1.00 0.00 C ATOM 1651 CD LYS A 106 -12.115 6.955 1.887 1.00 0.00 C ATOM 1652 CE LYS A 106 -11.893 7.521 3.281 1.00 0.00 C ATOM 1653 NZ LYS A 106 -11.868 9.010 3.276 1.00 0.00 N ATOM 0 H LYS A 106 -11.236 6.290 -2.811 1.00 0.00 H new ATOM 0 HA LYS A 106 -12.773 7.598 -0.734 1.00 0.00 H new ATOM 0 HB2 LYS A 106 -11.613 5.469 -0.323 1.00 0.00 H new ATOM 0 HB3 LYS A 106 -10.079 6.181 -0.782 1.00 0.00 H new ATOM 0 HG2 LYS A 106 -10.169 6.088 1.623 1.00 0.00 H new ATOM 0 HG3 LYS A 106 -10.274 7.771 1.144 1.00 0.00 H new ATOM 0 HD2 LYS A 106 -12.794 7.604 1.333 1.00 0.00 H new ATOM 0 HD3 LYS A 106 -12.596 5.980 1.961 1.00 0.00 H new ATOM 0 HE2 LYS A 106 -12.684 7.173 3.945 1.00 0.00 H new ATOM 0 HE3 LYS A 106 -10.952 7.143 3.681 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 -11.834 9.360 4.255 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 -11.028 9.341 2.760 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 -12.725 9.370 2.809 1.00 0.00 H new ATOM 1667 N TRP A 107 -9.809 8.778 -1.630 1.00 0.00 N ATOM 1668 CA TRP A 107 -8.987 9.983 -1.646 1.00 0.00 C ATOM 1669 C TRP A 107 -9.761 11.162 -2.225 1.00 0.00 C ATOM 1670 O TRP A 107 -9.823 12.234 -1.622 1.00 0.00 O ATOM 1671 CB TRP A 107 -7.712 9.745 -2.457 1.00 0.00 C ATOM 1672 CG TRP A 107 -6.770 10.910 -2.436 1.00 0.00 C ATOM 1673 CD1 TRP A 107 -6.847 12.041 -3.199 1.00 0.00 C ATOM 1674 CD2 TRP A 107 -5.607 11.057 -1.614 1.00 0.00 C ATOM 1675 NE1 TRP A 107 -5.802 12.882 -2.900 1.00 0.00 N ATOM 1676 CE2 TRP A 107 -5.028 12.302 -1.930 1.00 0.00 C ATOM 1677 CE3 TRP A 107 -5.000 10.260 -0.640 1.00 0.00 C ATOM 1678 CZ2 TRP A 107 -3.872 12.765 -1.307 1.00 0.00 C ATOM 1679 CZ3 TRP A 107 -3.853 10.721 -0.023 1.00 0.00 C ATOM 1680 CH2 TRP A 107 -3.299 11.964 -0.357 1.00 0.00 C ATOM 0 H TRP A 107 -9.370 7.962 -2.057 1.00 0.00 H new ATOM 0 HA TRP A 107 -8.715 10.221 -0.618 1.00 0.00 H new ATOM 0 HB2 TRP A 107 -7.200 8.866 -2.066 1.00 0.00 H new ATOM 0 HB3 TRP A 107 -7.982 9.524 -3.490 1.00 0.00 H new ATOM 0 HD1 TRP A 107 -7.616 12.244 -3.930 1.00 0.00 H new ATOM 0 HE1 TRP A 107 -5.631 13.791 -3.331 1.00 0.00 H new ATOM 0 HE3 TRP A 107 -5.420 9.301 -0.374 1.00 0.00 H new ATOM 0 HZ2 TRP A 107 -3.443 13.722 -1.564 1.00 0.00 H new ATOM 0 HZ3 TRP A 107 -3.375 10.112 0.730 1.00 0.00 H new ATOM 0 HH2 TRP A 107 -2.402 12.296 0.145 1.00 0.00 H new ATOM 1691 N THR A 108 -10.351 10.958 -3.399 1.00 0.00 N ATOM 1692 CA THR A 108 -11.120 12.005 -4.060 1.00 0.00 C ATOM 1693 C THR A 108 -12.196 12.563 -3.136 1.00 0.00 C ATOM 1694 O THR A 108 -12.469 13.763 -3.139 1.00 0.00 O ATOM 1695 CB THR A 108 -11.784 11.485 -5.349 1.00 0.00 C ATOM 1696 OG1 THR A 108 -12.388 12.570 -6.061 1.00 0.00 O ATOM 1697 CG2 THR A 108 -12.837 10.434 -5.029 1.00 0.00 C ATOM 0 H THR A 108 -10.311 10.077 -3.911 1.00 0.00 H new ATOM 0 HA THR A 108 -10.419 12.799 -4.317 1.00 0.00 H new ATOM 0 HB THR A 108 -11.013 11.028 -5.969 1.00 0.00 H new ATOM 0 HG1 THR A 108 -12.807 12.231 -6.880 1.00 0.00 H new ATOM 0 HG21 THR A 108 -13.292 10.082 -5.955 1.00 0.00 H new ATOM 0 HG22 THR A 108 -12.369 9.596 -4.512 1.00 0.00 H new ATOM 0 HG23 THR A 108 -13.605 10.871 -4.390 1.00 0.00 H new ATOM 1705 N ASP A 109 -12.804 11.685 -2.346 1.00 0.00 N ATOM 1706 CA ASP A 109 -13.851 12.090 -1.415 1.00 0.00 C ATOM 1707 C ASP A 109 -13.254 12.789 -0.197 1.00 0.00 C ATOM 1708 O ASP A 109 -13.874 13.676 0.390 1.00 0.00 O ATOM 1709 CB ASP A 109 -14.668 10.876 -0.972 1.00 0.00 C ATOM 1710 CG ASP A 109 -16.029 11.261 -0.428 1.00 0.00 C ATOM 1711 OD1 ASP A 109 -16.103 12.230 0.357 1.00 0.00 O ATOM 1712 OD2 ASP A 109 -17.022 10.594 -0.787 1.00 0.00 O ATOM 0 H ASP A 109 -12.590 10.688 -2.332 1.00 0.00 H new ATOM 0 HA ASP A 109 -14.508 12.792 -1.929 1.00 0.00 H new ATOM 0 HB2 ASP A 109 -14.796 10.200 -1.817 1.00 0.00 H new ATOM 0 HB3 ASP A 109 -14.116 10.330 -0.207 1.00 0.00 H new ATOM 1717 N THR A 110 -12.045 12.382 0.178 1.00 0.00 N ATOM 1718 CA THR A 110 -11.364 12.967 1.327 1.00 0.00 C ATOM 1719 C THR A 110 -11.046 14.438 1.087 1.00 0.00 C ATOM 1720 O THR A 110 -11.508 15.312 1.821 1.00 0.00 O ATOM 1721 CB THR A 110 -10.058 12.216 1.648 1.00 0.00 C ATOM 1722 OG1 THR A 110 -10.352 10.878 2.064 1.00 0.00 O ATOM 1723 CG2 THR A 110 -9.277 12.932 2.740 1.00 0.00 C ATOM 0 H THR A 110 -11.517 11.650 -0.297 1.00 0.00 H new ATOM 0 HA THR A 110 -12.043 12.879 2.175 1.00 0.00 H new ATOM 0 HB THR A 110 -9.448 12.189 0.745 1.00 0.00 H new ATOM 0 HG1 THR A 110 -10.732 10.378 1.312 1.00 0.00 H new ATOM 0 HG21 THR A 110 -8.359 12.383 2.950 1.00 0.00 H new ATOM 0 HG22 THR A 110 -9.030 13.941 2.409 1.00 0.00 H new ATOM 0 HG23 THR A 110 -9.882 12.986 3.645 1.00 0.00 H new