USER MOD reduce.3.24.130724 H: found=0, std=0, add=802, rem=0, adj=26 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 82 CYS SG : rot 172:sc= -3.71! USER MOD Set 1.2: A 86 ASN : amide:sc= -0.17 X(o=-3.9,f=-4.4) USER MOD Set 2.1: A 59 LYS NZ :NH3+ 143:sc= 1.16 (180deg=0) USER MOD Set 2.2: A 64 GLN : amide:sc= -2.74! C(o=-1.6!,f=-16!) USER MOD Single : A 10 LYS NZ :NH3+ -167:sc=-0.00129 (180deg=-0.111) USER MOD Single : A 15 CYS SG : rot 58:sc= -4.66! USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 17 MET CE :methyl -141:sc= -0.676 (180deg=-4.02!) USER MOD Single : A 20 THR OG1 : rot 72:sc= 0.715 USER MOD Single : A 22 MET CE :methyl -132:sc= -1.7 (180deg=-2.61!) USER MOD Single : A 24 THR OG1 : rot 5:sc= 1.12 USER MOD Single : A 25 HIS : no HD1:sc= -0.181 X(o=-0.18,f=-0.26) USER MOD Single : A 36 ASN :FLIP amide:sc= -2.29! C(o=-5!,f=-2.3!) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 TYR OH : rot 180:sc= -1.06 USER MOD Single : A 44 LYS NZ :NH3+ -112:sc= -1.27 (180deg=-3.33!) 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 51 MET CE :methyl 165:sc= -0.0769 (180deg=-0.502) USER MOD Single : A 54 SER OG : rot 58:sc= 0.387 USER MOD Single : A 55 THR OG1 : rot 94:sc= 1.16 USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 62 SER OG : rot -91:sc= -0.0194 USER MOD Single : A 65 TYR OH : rot 90:sc= -2.86! USER MOD Single : A 67 ASN :FLIP amide:sc= -0.0537 F(o=-1.8,f=-0.054) USER MOD Single : A 70 THR OG1 : rot -37:sc= -0.514 USER MOD Single : A 81 ASN : amide:sc= -1.77! C(o=-1.8!,f=-4!) USER MOD Single : A 84 THR OG1 : rot 92:sc= 1.22 USER MOD Single : A 90 SER OG : rot 140:sc= 0.421 USER MOD Single : A 97 HIS : no HD1:sc= 0 X(o=0,f=-0.055) USER MOD Single : A 98 ASN : amide:sc= -0.127 K(o=-0.13,f=-2.3!) USER MOD Single : A 99 MET CE :methyl 143:sc= -0.211 (180deg=-2.39) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 TYR OH : rot 180:sc= -0.445 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 66:sc= 1.22 USER MOD ----------------------------------------------------------------- ATOM 89 N LYS A 10 -2.816 18.755 9.892 1.00 0.00 N ATOM 90 CA LYS A 10 -4.163 18.358 9.500 1.00 0.00 C ATOM 91 C LYS A 10 -4.129 17.480 8.253 1.00 0.00 C ATOM 92 O LYS A 10 -4.668 16.372 8.247 1.00 0.00 O ATOM 93 CB LYS A 10 -5.028 19.594 9.243 1.00 0.00 C ATOM 94 CG LYS A 10 -6.516 19.296 9.193 1.00 0.00 C ATOM 95 CD LYS A 10 -6.971 18.961 7.782 1.00 0.00 C ATOM 96 CE LYS A 10 -7.094 20.211 6.925 1.00 0.00 C ATOM 97 NZ LYS A 10 -8.278 21.030 7.306 1.00 0.00 N ATOM 0 HA LYS A 10 -4.598 17.783 10.317 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -4.839 20.328 10.026 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -4.725 20.049 8.300 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -6.743 18.462 9.857 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -7.073 20.158 9.561 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -6.261 18.273 7.323 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -7.932 18.449 7.820 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -6.190 20.811 7.026 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -7.172 19.926 5.876 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -8.456 21.745 6.572 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -9.111 20.414 7.399 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -8.095 21.504 8.213 1.00 0.00 H new ATOM 111 N ASP A 11 -3.493 17.980 7.199 1.00 0.00 N ATOM 112 CA ASP A 11 -3.387 17.240 5.947 1.00 0.00 C ATOM 113 C ASP A 11 -2.906 15.815 6.198 1.00 0.00 C ATOM 114 O ASP A 11 -3.501 14.852 5.711 1.00 0.00 O ATOM 115 CB ASP A 11 -2.432 17.953 4.988 1.00 0.00 C ATOM 116 CG ASP A 11 -1.050 18.142 5.582 1.00 0.00 C ATOM 117 OD1 ASP A 11 -0.959 18.627 6.729 1.00 0.00 O ATOM 118 OD2 ASP A 11 -0.060 17.807 4.899 1.00 0.00 O ATOM 0 H ASP A 11 -3.043 18.895 7.187 1.00 0.00 H new ATOM 0 HA ASP A 11 -4.378 17.195 5.494 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -2.352 17.378 4.065 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -2.847 18.926 4.723 1.00 0.00 H new ATOM 123 N LEU A 12 -1.825 15.686 6.960 1.00 0.00 N ATOM 124 CA LEU A 12 -1.263 14.377 7.275 1.00 0.00 C ATOM 125 C LEU A 12 -2.258 13.532 8.062 1.00 0.00 C ATOM 126 O LEU A 12 -2.510 12.376 7.724 1.00 0.00 O ATOM 127 CB LEU A 12 0.033 14.536 8.073 1.00 0.00 C ATOM 128 CG LEU A 12 1.306 14.741 7.252 1.00 0.00 C ATOM 129 CD1 LEU A 12 2.488 15.034 8.163 1.00 0.00 C ATOM 130 CD2 LEU A 12 1.586 13.519 6.388 1.00 0.00 C ATOM 0 H LEU A 12 -1.320 16.472 7.371 1.00 0.00 H new ATOM 0 HA LEU A 12 -1.045 13.867 6.337 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -0.081 15.385 8.747 1.00 0.00 H new ATOM 0 HB3 LEU A 12 0.164 13.650 8.695 1.00 0.00 H new ATOM 0 HG LEU A 12 1.158 15.599 6.596 1.00 0.00 H new ATOM 0 HD11 LEU A 12 3.385 15.177 7.561 1.00 0.00 H new ATOM 0 HD12 LEU A 12 2.289 15.938 8.738 1.00 0.00 H new ATOM 0 HD13 LEU A 12 2.638 14.197 8.845 1.00 0.00 H new ATOM 0 HD21 LEU A 12 2.496 13.683 5.810 1.00 0.00 H new ATOM 0 HD22 LEU A 12 1.713 12.644 7.026 1.00 0.00 H new ATOM 0 HD23 LEU A 12 0.750 13.354 5.709 1.00 0.00 H new ATOM 142 N ALA A 13 -2.823 14.117 9.113 1.00 0.00 N ATOM 143 CA ALA A 13 -3.794 13.419 9.946 1.00 0.00 C ATOM 144 C ALA A 13 -4.738 12.574 9.098 1.00 0.00 C ATOM 145 O ALA A 13 -4.959 11.396 9.384 1.00 0.00 O ATOM 146 CB ALA A 13 -4.583 14.415 10.784 1.00 0.00 C ATOM 0 H ALA A 13 -2.625 15.073 9.408 1.00 0.00 H new ATOM 0 HA ALA A 13 -3.250 12.750 10.613 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -5.305 13.880 11.401 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -3.900 14.973 11.425 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -5.110 15.107 10.127 1.00 0.00 H new ATOM 152 N LEU A 14 -5.293 13.181 8.055 1.00 0.00 N ATOM 153 CA LEU A 14 -6.214 12.483 7.165 1.00 0.00 C ATOM 154 C LEU A 14 -5.530 11.296 6.495 1.00 0.00 C ATOM 155 O LEU A 14 -6.118 10.222 6.362 1.00 0.00 O ATOM 156 CB LEU A 14 -6.752 13.443 6.102 1.00 0.00 C ATOM 157 CG LEU A 14 -7.725 14.514 6.595 1.00 0.00 C ATOM 158 CD1 LEU A 14 -7.808 15.660 5.598 1.00 0.00 C ATOM 159 CD2 LEU A 14 -9.102 13.914 6.836 1.00 0.00 C ATOM 0 H LEU A 14 -5.121 14.155 7.805 1.00 0.00 H new ATOM 0 HA LEU A 14 -7.045 12.109 7.763 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -5.905 13.940 5.628 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -7.250 12.856 5.330 1.00 0.00 H new ATOM 0 HG LEU A 14 -7.352 14.908 7.540 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -8.505 16.413 5.966 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -6.822 16.108 5.476 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -8.156 15.282 4.637 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -9.781 14.691 7.187 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -9.483 13.492 5.906 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -9.030 13.129 7.588 1.00 0.00 H new ATOM 171 N CYS A 15 -4.285 11.495 6.078 1.00 0.00 N ATOM 172 CA CYS A 15 -3.520 10.440 5.423 1.00 0.00 C ATOM 173 C CYS A 15 -3.594 9.141 6.219 1.00 0.00 C ATOM 174 O CYS A 15 -3.851 8.074 5.662 1.00 0.00 O ATOM 175 CB CYS A 15 -2.061 10.868 5.256 1.00 0.00 C ATOM 176 SG CYS A 15 -1.843 12.402 4.324 1.00 0.00 S ATOM 0 H CYS A 15 -3.784 12.377 6.182 1.00 0.00 H new ATOM 0 HA CYS A 15 -3.955 10.267 4.439 1.00 0.00 H new ATOM 0 HB2 CYS A 15 -1.614 10.988 6.243 1.00 0.00 H new ATOM 0 HB3 CYS A 15 -1.515 10.070 4.754 1.00 0.00 H new ATOM 0 HG CYS A 15 -2.497 13.362 4.909 1.00 0.00 H new ATOM 182 N SER A 16 -3.364 9.239 7.524 1.00 0.00 N ATOM 183 CA SER A 16 -3.399 8.071 8.396 1.00 0.00 C ATOM 184 C SER A 16 -4.721 7.323 8.249 1.00 0.00 C ATOM 185 O SER A 16 -4.757 6.093 8.277 1.00 0.00 O ATOM 186 CB SER A 16 -3.197 8.490 9.854 1.00 0.00 C ATOM 187 OG SER A 16 -3.259 7.370 10.719 1.00 0.00 O ATOM 0 H SER A 16 -3.151 10.115 8.001 1.00 0.00 H new ATOM 0 HA SER A 16 -2.589 7.404 8.101 1.00 0.00 H new ATOM 0 HB2 SER A 16 -2.232 8.985 9.963 1.00 0.00 H new ATOM 0 HB3 SER A 16 -3.961 9.215 10.137 1.00 0.00 H new ATOM 0 HG SER A 16 -3.126 7.664 11.644 1.00 0.00 H new ATOM 193 N MET A 17 -5.805 8.075 8.092 1.00 0.00 N ATOM 194 CA MET A 17 -7.130 7.484 7.939 1.00 0.00 C ATOM 195 C MET A 17 -7.212 6.659 6.658 1.00 0.00 C ATOM 196 O MET A 17 -7.342 5.436 6.705 1.00 0.00 O ATOM 197 CB MET A 17 -8.201 8.576 7.926 1.00 0.00 C ATOM 198 CG MET A 17 -8.054 9.584 9.055 1.00 0.00 C ATOM 199 SD MET A 17 -9.634 10.284 9.570 1.00 0.00 S ATOM 200 CE MET A 17 -10.280 10.856 8.000 1.00 0.00 C ATOM 0 H MET A 17 -5.793 9.095 8.067 1.00 0.00 H new ATOM 0 HA MET A 17 -7.306 6.823 8.788 1.00 0.00 H new ATOM 0 HB2 MET A 17 -8.160 9.102 6.972 1.00 0.00 H new ATOM 0 HB3 MET A 17 -9.184 8.110 7.991 1.00 0.00 H new ATOM 0 HG2 MET A 17 -7.579 9.101 9.909 1.00 0.00 H new ATOM 0 HG3 MET A 17 -7.392 10.388 8.735 1.00 0.00 H new ATOM 0 HE1 MET A 17 -10.784 11.812 8.141 1.00 0.00 H new ATOM 0 HE2 MET A 17 -9.460 10.979 7.292 1.00 0.00 H new ATOM 0 HE3 MET A 17 -10.989 10.126 7.611 1.00 0.00 H new ATOM 210 N ILE A 18 -7.137 7.337 5.518 1.00 0.00 N ATOM 211 CA ILE A 18 -7.203 6.666 4.226 1.00 0.00 C ATOM 212 C ILE A 18 -6.375 5.385 4.228 1.00 0.00 C ATOM 213 O ILE A 18 -6.831 4.337 3.771 1.00 0.00 O ATOM 214 CB ILE A 18 -6.709 7.581 3.090 1.00 0.00 C ATOM 215 CG1 ILE A 18 -7.547 8.860 3.034 1.00 0.00 C ATOM 216 CG2 ILE A 18 -6.761 6.848 1.758 1.00 0.00 C ATOM 217 CD1 ILE A 18 -6.784 10.062 2.524 1.00 0.00 C ATOM 0 H ILE A 18 -7.031 8.350 5.463 1.00 0.00 H new ATOM 0 HA ILE A 18 -8.250 6.419 4.053 1.00 0.00 H new ATOM 0 HB ILE A 18 -5.674 7.856 3.290 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -8.412 8.690 2.392 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -7.928 9.079 4.031 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -6.409 7.508 0.965 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -6.125 5.964 1.804 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -7.787 6.546 1.549 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -7.441 10.932 2.512 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -5.935 10.258 3.178 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -6.426 9.864 1.514 1.00 0.00 H new ATOM 229 N LEU A 19 -5.156 5.477 4.748 1.00 0.00 N ATOM 230 CA LEU A 19 -4.263 4.325 4.813 1.00 0.00 C ATOM 231 C LEU A 19 -4.918 3.171 5.565 1.00 0.00 C ATOM 232 O LEU A 19 -4.980 2.046 5.066 1.00 0.00 O ATOM 233 CB LEU A 19 -2.948 4.712 5.493 1.00 0.00 C ATOM 234 CG LEU A 19 -1.956 3.573 5.732 1.00 0.00 C ATOM 235 CD1 LEU A 19 -1.475 2.998 4.408 1.00 0.00 C ATOM 236 CD2 LEU A 19 -0.779 4.057 6.565 1.00 0.00 C ATOM 0 H LEU A 19 -4.763 6.337 5.131 1.00 0.00 H new ATOM 0 HA LEU A 19 -4.055 3.999 3.794 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -2.458 5.473 4.885 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -3.180 5.172 6.453 1.00 0.00 H new ATOM 0 HG LEU A 19 -2.465 2.783 6.284 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -0.770 2.189 4.598 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -2.327 2.613 3.848 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -0.983 3.780 3.829 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -0.083 3.233 6.725 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -0.270 4.865 6.040 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -1.139 4.420 7.528 1.00 0.00 H new ATOM 248 N THR A 20 -5.407 3.456 6.767 1.00 0.00 N ATOM 249 CA THR A 20 -6.058 2.443 7.588 1.00 0.00 C ATOM 250 C THR A 20 -7.137 1.707 6.800 1.00 0.00 C ATOM 251 O THR A 20 -6.974 0.539 6.451 1.00 0.00 O ATOM 252 CB THR A 20 -6.691 3.062 8.848 1.00 0.00 C ATOM 253 OG1 THR A 20 -5.681 3.693 9.644 1.00 0.00 O ATOM 254 CG2 THR A 20 -7.403 2.000 9.673 1.00 0.00 C ATOM 0 H THR A 20 -5.365 4.381 7.194 1.00 0.00 H new ATOM 0 HA THR A 20 -5.285 1.736 7.889 1.00 0.00 H new ATOM 0 HB THR A 20 -7.422 3.806 8.532 1.00 0.00 H new ATOM 0 HG1 THR A 20 -5.375 4.510 9.197 1.00 0.00 H new ATOM 0 HG21 THR A 20 -7.842 2.461 10.558 1.00 0.00 H new ATOM 0 HG22 THR A 20 -8.190 1.541 9.074 1.00 0.00 H new ATOM 0 HG23 THR A 20 -6.688 1.237 9.979 1.00 0.00 H new ATOM 262 N GLU A 21 -8.237 2.400 6.524 1.00 0.00 N ATOM 263 CA GLU A 21 -9.343 1.811 5.778 1.00 0.00 C ATOM 264 C GLU A 21 -8.828 0.830 4.728 1.00 0.00 C ATOM 265 O GLU A 21 -9.275 -0.315 4.662 1.00 0.00 O ATOM 266 CB GLU A 21 -10.173 2.906 5.105 1.00 0.00 C ATOM 267 CG GLU A 21 -10.809 3.877 6.085 1.00 0.00 C ATOM 268 CD GLU A 21 -11.803 3.203 7.012 1.00 0.00 C ATOM 269 OE1 GLU A 21 -12.744 2.559 6.503 1.00 0.00 O ATOM 270 OE2 GLU A 21 -11.640 3.321 8.244 1.00 0.00 O ATOM 0 H GLU A 21 -8.386 3.369 6.805 1.00 0.00 H new ATOM 0 HA GLU A 21 -9.974 1.267 6.481 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -9.536 3.462 4.417 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -10.957 2.440 4.507 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -10.028 4.352 6.679 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -11.314 4.669 5.531 1.00 0.00 H new ATOM 277 N MET A 22 -7.887 1.288 3.909 1.00 0.00 N ATOM 278 CA MET A 22 -7.312 0.451 2.863 1.00 0.00 C ATOM 279 C MET A 22 -6.582 -0.746 3.464 1.00 0.00 C ATOM 280 O MET A 22 -6.724 -1.873 2.991 1.00 0.00 O ATOM 281 CB MET A 22 -6.350 1.268 1.998 1.00 0.00 C ATOM 282 CG MET A 22 -7.034 2.362 1.195 1.00 0.00 C ATOM 283 SD MET A 22 -6.079 2.864 -0.250 1.00 0.00 S ATOM 284 CE MET A 22 -4.495 3.229 0.502 1.00 0.00 C ATOM 0 H MET A 22 -7.507 2.234 3.950 1.00 0.00 H new ATOM 0 HA MET A 22 -8.126 0.082 2.239 1.00 0.00 H new ATOM 0 HB2 MET A 22 -5.592 1.719 2.639 1.00 0.00 H new ATOM 0 HB3 MET A 22 -5.831 0.597 1.314 1.00 0.00 H new ATOM 0 HG2 MET A 22 -8.015 2.012 0.874 1.00 0.00 H new ATOM 0 HG3 MET A 22 -7.199 3.228 1.836 1.00 0.00 H new ATOM 0 HE1 MET A 22 -4.137 4.195 0.146 1.00 0.00 H new ATOM 0 HE2 MET A 22 -4.605 3.260 1.586 1.00 0.00 H new ATOM 0 HE3 MET A 22 -3.777 2.454 0.232 1.00 0.00 H new ATOM 294 N GLU A 23 -5.800 -0.493 4.509 1.00 0.00 N ATOM 295 CA GLU A 23 -5.048 -1.551 5.173 1.00 0.00 C ATOM 296 C GLU A 23 -5.987 -2.598 5.764 1.00 0.00 C ATOM 297 O GLU A 23 -5.558 -3.684 6.157 1.00 0.00 O ATOM 298 CB GLU A 23 -4.164 -0.963 6.276 1.00 0.00 C ATOM 299 CG GLU A 23 -2.938 -0.235 5.750 1.00 0.00 C ATOM 300 CD GLU A 23 -1.766 -0.297 6.710 1.00 0.00 C ATOM 301 OE1 GLU A 23 -1.628 -1.321 7.412 1.00 0.00 O ATOM 302 OE2 GLU A 23 -0.987 0.678 6.760 1.00 0.00 O ATOM 0 H GLU A 23 -5.671 0.434 4.913 1.00 0.00 H new ATOM 0 HA GLU A 23 -4.416 -2.034 4.428 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -4.757 -0.272 6.876 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -3.843 -1.766 6.939 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -2.644 -0.670 4.795 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -3.193 0.808 5.560 1.00 0.00 H new ATOM 309 N THR A 24 -7.273 -2.265 5.824 1.00 0.00 N ATOM 310 CA THR A 24 -8.273 -3.174 6.368 1.00 0.00 C ATOM 311 C THR A 24 -9.173 -3.723 5.267 1.00 0.00 C ATOM 312 O THR A 24 -10.354 -3.990 5.492 1.00 0.00 O ATOM 313 CB THR A 24 -9.146 -2.479 7.430 1.00 0.00 C ATOM 314 OG1 THR A 24 -9.806 -1.345 6.856 1.00 0.00 O ATOM 315 CG2 THR A 24 -8.304 -2.036 8.617 1.00 0.00 C ATOM 0 H THR A 24 -7.646 -1.372 5.502 1.00 0.00 H new ATOM 0 HA THR A 24 -7.732 -3.996 6.835 1.00 0.00 H new ATOM 0 HB THR A 24 -9.891 -3.193 7.780 1.00 0.00 H new ATOM 0 HG1 THR A 24 -9.620 -1.311 5.894 1.00 0.00 H new ATOM 0 HG21 THR A 24 -8.942 -1.548 9.354 1.00 0.00 H new ATOM 0 HG22 THR A 24 -7.827 -2.905 9.069 1.00 0.00 H new ATOM 0 HG23 THR A 24 -7.539 -1.337 8.280 1.00 0.00 H new ATOM 323 N HIS A 25 -8.608 -3.891 4.076 1.00 0.00 N ATOM 324 CA HIS A 25 -9.360 -4.410 2.939 1.00 0.00 C ATOM 325 C HIS A 25 -9.019 -5.875 2.686 1.00 0.00 C ATOM 326 O HIS A 25 -7.953 -6.350 3.075 1.00 0.00 O ATOM 327 CB HIS A 25 -9.069 -3.583 1.687 1.00 0.00 C ATOM 328 CG HIS A 25 -10.221 -3.515 0.732 1.00 0.00 C ATOM 329 ND1 HIS A 25 -10.239 -4.184 -0.474 1.00 0.00 N ATOM 330 CD2 HIS A 25 -11.399 -2.855 0.811 1.00 0.00 C ATOM 331 CE1 HIS A 25 -11.378 -3.936 -1.096 1.00 0.00 C ATOM 332 NE2 HIS A 25 -12.100 -3.132 -0.336 1.00 0.00 N ATOM 0 H HIS A 25 -7.632 -3.675 3.873 1.00 0.00 H new ATOM 0 HA HIS A 25 -10.422 -4.337 3.174 1.00 0.00 H new ATOM 0 HB2 HIS A 25 -8.795 -2.571 1.986 1.00 0.00 H new ATOM 0 HB3 HIS A 25 -8.207 -4.008 1.173 1.00 0.00 H new ATOM 0 HD2 HIS A 25 -11.727 -2.227 1.626 1.00 0.00 H new ATOM 0 HE1 HIS A 25 -11.669 -4.324 -2.061 1.00 0.00 H new ATOM 0 HE2 HIS A 25 -13.028 -2.775 -0.565 1.00 0.00 H new ATOM 340 N GLU A 26 -9.933 -6.586 2.032 1.00 0.00 N ATOM 341 CA GLU A 26 -9.728 -7.998 1.728 1.00 0.00 C ATOM 342 C GLU A 26 -8.695 -8.172 0.619 1.00 0.00 C ATOM 343 O GLU A 26 -8.294 -9.291 0.300 1.00 0.00 O ATOM 344 CB GLU A 26 -11.050 -8.651 1.317 1.00 0.00 C ATOM 345 CG GLU A 26 -11.590 -8.146 -0.010 1.00 0.00 C ATOM 346 CD GLU A 26 -12.836 -8.890 -0.453 1.00 0.00 C ATOM 347 OE1 GLU A 26 -12.710 -10.056 -0.882 1.00 0.00 O ATOM 348 OE2 GLU A 26 -13.936 -8.305 -0.371 1.00 0.00 O ATOM 0 H GLU A 26 -10.821 -6.208 1.703 1.00 0.00 H new ATOM 0 HA GLU A 26 -9.354 -8.486 2.628 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -10.909 -9.730 1.256 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -11.792 -8.470 2.094 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -11.817 -7.083 0.075 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -10.819 -8.248 -0.774 1.00 0.00 H new ATOM 355 N ASP A 27 -8.270 -7.057 0.034 1.00 0.00 N ATOM 356 CA ASP A 27 -7.284 -7.085 -1.039 1.00 0.00 C ATOM 357 C ASP A 27 -6.181 -6.061 -0.790 1.00 0.00 C ATOM 358 O ASP A 27 -5.607 -5.511 -1.730 1.00 0.00 O ATOM 359 CB ASP A 27 -7.956 -6.812 -2.386 1.00 0.00 C ATOM 360 CG ASP A 27 -8.669 -8.032 -2.935 1.00 0.00 C ATOM 361 OD1 ASP A 27 -7.983 -8.931 -3.466 1.00 0.00 O ATOM 362 OD2 ASP A 27 -9.912 -8.088 -2.833 1.00 0.00 O ATOM 0 H ASP A 27 -8.593 -6.123 0.285 1.00 0.00 H new ATOM 0 HA ASP A 27 -6.835 -8.078 -1.061 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -8.671 -5.997 -2.273 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -7.205 -6.480 -3.103 1.00 0.00 H new ATOM 367 N ALA A 28 -5.890 -5.809 0.482 1.00 0.00 N ATOM 368 CA ALA A 28 -4.855 -4.853 0.854 1.00 0.00 C ATOM 369 C ALA A 28 -3.722 -5.536 1.612 1.00 0.00 C ATOM 370 O ALA A 28 -2.726 -4.903 1.962 1.00 0.00 O ATOM 371 CB ALA A 28 -5.451 -3.730 1.691 1.00 0.00 C ATOM 0 H ALA A 28 -6.357 -6.254 1.272 1.00 0.00 H new ATOM 0 HA ALA A 28 -4.440 -4.430 -0.061 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -4.667 -3.023 1.962 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -6.220 -3.216 1.115 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -5.893 -4.146 2.596 1.00 0.00 H new ATOM 377 N TRP A 29 -3.882 -6.830 1.864 1.00 0.00 N ATOM 378 CA TRP A 29 -2.872 -7.599 2.582 1.00 0.00 C ATOM 379 C TRP A 29 -1.660 -7.868 1.696 1.00 0.00 C ATOM 380 O TRP A 29 -0.527 -7.976 2.164 1.00 0.00 O ATOM 381 CB TRP A 29 -3.462 -8.922 3.074 1.00 0.00 C ATOM 382 CG TRP A 29 -3.773 -9.882 1.966 1.00 0.00 C ATOM 383 CD1 TRP A 29 -5.010 -10.210 1.489 1.00 0.00 C ATOM 384 CD2 TRP A 29 -2.831 -10.640 1.200 1.00 0.00 C ATOM 385 NE1 TRP A 29 -4.894 -11.126 0.471 1.00 0.00 N ATOM 386 CE2 TRP A 29 -3.567 -11.405 0.274 1.00 0.00 C ATOM 387 CE3 TRP A 29 -1.438 -10.745 1.203 1.00 0.00 C ATOM 388 CZ2 TRP A 29 -2.955 -12.263 -0.636 1.00 0.00 C ATOM 389 CZ3 TRP A 29 -0.832 -11.597 0.300 1.00 0.00 C ATOM 390 CH2 TRP A 29 -1.590 -12.346 -0.610 1.00 0.00 C ATOM 0 H TRP A 29 -4.701 -7.369 1.582 1.00 0.00 H new ATOM 0 HA TRP A 29 -2.548 -7.012 3.441 1.00 0.00 H new ATOM 0 HB2 TRP A 29 -2.760 -9.390 3.764 1.00 0.00 H new ATOM 0 HB3 TRP A 29 -4.374 -8.718 3.635 1.00 0.00 H new ATOM 0 HD1 TRP A 29 -5.942 -9.809 1.858 1.00 0.00 H new ATOM 0 HE1 TRP A 29 -5.669 -11.532 -0.053 1.00 0.00 H new ATOM 0 HE3 TRP A 29 -0.845 -10.170 1.899 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 -3.537 -12.842 -1.337 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 0.244 -11.687 0.295 1.00 0.00 H new ATOM 0 HH2 TRP A 29 -1.086 -13.002 -1.305 1.00 0.00 H new ATOM 401 N PRO A 30 -1.900 -7.979 0.382 1.00 0.00 N ATOM 402 CA PRO A 30 -0.759 -8.237 -0.502 1.00 0.00 C ATOM 403 C PRO A 30 0.415 -7.306 -0.219 1.00 0.00 C ATOM 404 O PRO A 30 1.563 -7.629 -0.525 1.00 0.00 O ATOM 405 CB PRO A 30 -1.326 -7.973 -1.899 1.00 0.00 C ATOM 406 CG PRO A 30 -2.789 -8.225 -1.768 1.00 0.00 C ATOM 407 CD PRO A 30 -3.168 -7.882 -0.361 1.00 0.00 C ATOM 0 HA PRO A 30 -0.362 -9.244 -0.372 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -1.128 -6.950 -2.220 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -0.875 -8.633 -2.640 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -3.350 -7.617 -2.478 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -3.022 -9.267 -1.987 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -3.594 -6.881 -0.295 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -3.915 -8.573 0.031 1.00 0.00 H new ATOM 415 N PHE A 31 0.120 -6.150 0.366 1.00 0.00 N ATOM 416 CA PHE A 31 1.152 -5.172 0.690 1.00 0.00 C ATOM 417 C PHE A 31 1.379 -5.100 2.197 1.00 0.00 C ATOM 418 O PHE A 31 2.497 -4.860 2.657 1.00 0.00 O ATOM 419 CB PHE A 31 0.763 -3.792 0.155 1.00 0.00 C ATOM 420 CG PHE A 31 -0.027 -3.846 -1.122 1.00 0.00 C ATOM 421 CD1 PHE A 31 -1.382 -4.133 -1.101 1.00 0.00 C ATOM 422 CD2 PHE A 31 0.585 -3.608 -2.342 1.00 0.00 C ATOM 423 CE1 PHE A 31 -2.112 -4.184 -2.274 1.00 0.00 C ATOM 424 CE2 PHE A 31 -0.139 -3.656 -3.518 1.00 0.00 C ATOM 425 CZ PHE A 31 -1.490 -3.944 -3.484 1.00 0.00 C ATOM 0 H PHE A 31 -0.825 -5.867 0.625 1.00 0.00 H new ATOM 0 HA PHE A 31 2.080 -5.490 0.215 1.00 0.00 H new ATOM 0 HB2 PHE A 31 0.179 -3.269 0.912 1.00 0.00 H new ATOM 0 HB3 PHE A 31 1.668 -3.207 -0.011 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -1.874 -4.319 -0.158 1.00 0.00 H new ATOM 0 HD2 PHE A 31 1.641 -3.382 -2.374 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -3.167 -4.411 -2.244 1.00 0.00 H new ATOM 0 HE2 PHE A 31 0.350 -3.469 -4.462 1.00 0.00 H new ATOM 0 HZ PHE A 31 -2.059 -3.981 -4.401 1.00 0.00 H new ATOM 435 N LEU A 32 0.312 -5.308 2.961 1.00 0.00 N ATOM 436 CA LEU A 32 0.394 -5.266 4.417 1.00 0.00 C ATOM 437 C LEU A 32 1.745 -5.781 4.902 1.00 0.00 C ATOM 438 O LEU A 32 2.281 -5.302 5.902 1.00 0.00 O ATOM 439 CB LEU A 32 -0.733 -6.096 5.034 1.00 0.00 C ATOM 440 CG LEU A 32 -2.094 -5.408 5.139 1.00 0.00 C ATOM 441 CD1 LEU A 32 -3.115 -6.338 5.776 1.00 0.00 C ATOM 442 CD2 LEU A 32 -1.979 -4.115 5.933 1.00 0.00 C ATOM 0 H LEU A 32 -0.620 -5.507 2.597 1.00 0.00 H new ATOM 0 HA LEU A 32 0.288 -4.228 4.733 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -0.852 -7.005 4.444 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -0.426 -6.403 6.034 1.00 0.00 H new ATOM 0 HG LEU A 32 -2.434 -5.164 4.133 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -4.078 -5.831 5.842 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -3.219 -7.236 5.167 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -2.781 -6.615 6.776 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -2.958 -3.639 5.997 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -1.616 -4.336 6.937 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -1.281 -3.443 5.434 1.00 0.00 H new ATOM 454 N LEU A 33 2.292 -6.757 4.186 1.00 0.00 N ATOM 455 CA LEU A 33 3.583 -7.336 4.541 1.00 0.00 C ATOM 456 C LEU A 33 4.608 -7.101 3.437 1.00 0.00 C ATOM 457 O LEU A 33 4.271 -6.976 2.259 1.00 0.00 O ATOM 458 CB LEU A 33 3.436 -8.835 4.806 1.00 0.00 C ATOM 459 CG LEU A 33 2.691 -9.222 6.084 1.00 0.00 C ATOM 460 CD1 LEU A 33 2.361 -10.706 6.082 1.00 0.00 C ATOM 461 CD2 LEU A 33 3.514 -8.859 7.311 1.00 0.00 C ATOM 0 H LEU A 33 1.862 -7.164 3.356 1.00 0.00 H new ATOM 0 HA LEU A 33 3.936 -6.846 5.448 1.00 0.00 H new ATOM 0 HB2 LEU A 33 2.919 -9.284 3.958 1.00 0.00 H new ATOM 0 HB3 LEU A 33 4.432 -9.276 4.842 1.00 0.00 H new ATOM 0 HG LEU A 33 1.756 -8.663 6.119 1.00 0.00 H new ATOM 0 HD11 LEU A 33 1.831 -10.962 6.999 1.00 0.00 H new ATOM 0 HD12 LEU A 33 1.732 -10.938 5.223 1.00 0.00 H new ATOM 0 HD13 LEU A 33 3.283 -11.284 6.022 1.00 0.00 H new ATOM 0 HD21 LEU A 33 2.969 -9.141 8.212 1.00 0.00 H new ATOM 0 HD22 LEU A 33 4.465 -9.390 7.281 1.00 0.00 H new ATOM 0 HD23 LEU A 33 3.699 -7.785 7.321 1.00 0.00 H new ATOM 473 N PRO A 34 5.891 -7.041 3.823 1.00 0.00 N ATOM 474 CA PRO A 34 6.992 -6.824 2.880 1.00 0.00 C ATOM 475 C PRO A 34 7.220 -8.025 1.968 1.00 0.00 C ATOM 476 O PRO A 34 7.111 -9.173 2.399 1.00 0.00 O ATOM 477 CB PRO A 34 8.202 -6.607 3.792 1.00 0.00 C ATOM 478 CG PRO A 34 7.856 -7.314 5.056 1.00 0.00 C ATOM 479 CD PRO A 34 6.366 -7.182 5.210 1.00 0.00 C ATOM 0 HA PRO A 34 6.794 -5.990 2.206 1.00 0.00 H new ATOM 0 HB2 PRO A 34 9.111 -7.013 3.347 1.00 0.00 H new ATOM 0 HB3 PRO A 34 8.380 -5.546 3.968 1.00 0.00 H new ATOM 0 HG2 PRO A 34 8.152 -8.362 5.011 1.00 0.00 H new ATOM 0 HG3 PRO A 34 8.377 -6.872 5.905 1.00 0.00 H new ATOM 0 HD2 PRO A 34 5.933 -8.056 5.696 1.00 0.00 H new ATOM 0 HD3 PRO A 34 6.100 -6.316 5.816 1.00 0.00 H new ATOM 487 N VAL A 35 7.539 -7.752 0.707 1.00 0.00 N ATOM 488 CA VAL A 35 7.784 -8.811 -0.265 1.00 0.00 C ATOM 489 C VAL A 35 9.188 -9.385 -0.110 1.00 0.00 C ATOM 490 O VAL A 35 10.180 -8.699 -0.350 1.00 0.00 O ATOM 491 CB VAL A 35 7.607 -8.300 -1.708 1.00 0.00 C ATOM 492 CG1 VAL A 35 8.080 -9.346 -2.706 1.00 0.00 C ATOM 493 CG2 VAL A 35 6.156 -7.923 -1.964 1.00 0.00 C ATOM 0 H VAL A 35 7.634 -6.807 0.335 1.00 0.00 H new ATOM 0 HA VAL A 35 7.051 -9.594 -0.072 1.00 0.00 H new ATOM 0 HB VAL A 35 8.219 -7.407 -1.838 1.00 0.00 H new ATOM 0 HG11 VAL A 35 7.947 -8.968 -3.720 1.00 0.00 H new ATOM 0 HG12 VAL A 35 9.134 -9.562 -2.534 1.00 0.00 H new ATOM 0 HG13 VAL A 35 7.497 -10.259 -2.580 1.00 0.00 H new ATOM 0 HG21 VAL A 35 6.048 -7.564 -2.988 1.00 0.00 H new ATOM 0 HG22 VAL A 35 5.522 -8.797 -1.817 1.00 0.00 H new ATOM 0 HG23 VAL A 35 5.857 -7.137 -1.271 1.00 0.00 H new ATOM 503 N ASN A 36 9.263 -10.649 0.293 1.00 0.00 N ATOM 504 CA ASN A 36 10.546 -11.317 0.481 1.00 0.00 C ATOM 505 C ASN A 36 11.356 -11.313 -0.812 1.00 0.00 C ATOM 506 O ASN A 36 10.979 -11.951 -1.796 1.00 0.00 O ATOM 507 CB ASN A 36 10.331 -12.755 0.957 1.00 0.00 C ATOM 508 CG ASN A 36 11.467 -13.250 1.831 1.00 0.00 C ATOM 509 OD1 ASN A 36 12.697 -13.036 1.380 1.00 0.00 O flip ATOM 510 ND2 ASN A 36 11.240 -13.819 2.899 1.00 0.00 N flip ATOM 0 H ASN A 36 8.451 -11.232 0.496 1.00 0.00 H new ATOM 0 HA ASN A 36 11.105 -10.770 1.240 1.00 0.00 H new ATOM 0 HB2 ASN A 36 9.396 -12.815 1.513 1.00 0.00 H new ATOM 0 HB3 ASN A 36 10.230 -13.410 0.092 1.00 0.00 H new ATOM 0 HD21 ASN A 36 10.278 -13.962 3.206 1.00 0.00 H new ATOM 0 HD22 ASN A 36 12.014 -14.147 3.476 1.00 0.00 H new ATOM 517 N LEU A 37 12.470 -10.590 -0.803 1.00 0.00 N ATOM 518 CA LEU A 37 13.335 -10.503 -1.975 1.00 0.00 C ATOM 519 C LEU A 37 14.069 -11.819 -2.209 1.00 0.00 C ATOM 520 O LEU A 37 14.158 -12.301 -3.339 1.00 0.00 O ATOM 521 CB LEU A 37 14.345 -9.366 -1.804 1.00 0.00 C ATOM 522 CG LEU A 37 13.761 -7.996 -1.460 1.00 0.00 C ATOM 523 CD1 LEU A 37 14.859 -6.944 -1.413 1.00 0.00 C ATOM 524 CD2 LEU A 37 12.688 -7.605 -2.466 1.00 0.00 C ATOM 0 H LEU A 37 12.796 -10.056 0.002 1.00 0.00 H new ATOM 0 HA LEU A 37 12.709 -10.298 -2.844 1.00 0.00 H new ATOM 0 HB2 LEU A 37 15.048 -9.646 -1.020 1.00 0.00 H new ATOM 0 HB3 LEU A 37 14.917 -9.273 -2.727 1.00 0.00 H new ATOM 0 HG LEU A 37 13.301 -8.056 -0.474 1.00 0.00 H new ATOM 0 HD11 LEU A 37 14.424 -5.975 -1.167 1.00 0.00 H new ATOM 0 HD12 LEU A 37 15.592 -7.217 -0.654 1.00 0.00 H new ATOM 0 HD13 LEU A 37 15.349 -6.885 -2.385 1.00 0.00 H new ATOM 0 HD21 LEU A 37 12.284 -6.627 -2.205 1.00 0.00 H new ATOM 0 HD22 LEU A 37 13.123 -7.563 -3.464 1.00 0.00 H new ATOM 0 HD23 LEU A 37 11.887 -8.345 -2.450 1.00 0.00 H new ATOM 536 N LYS A 38 14.592 -12.399 -1.134 1.00 0.00 N ATOM 537 CA LYS A 38 15.315 -13.662 -1.221 1.00 0.00 C ATOM 538 C LYS A 38 14.459 -14.734 -1.888 1.00 0.00 C ATOM 539 O LYS A 38 14.933 -15.470 -2.755 1.00 0.00 O ATOM 540 CB LYS A 38 15.738 -14.128 0.174 1.00 0.00 C ATOM 541 CG LYS A 38 16.890 -13.329 0.759 1.00 0.00 C ATOM 542 CD LYS A 38 16.916 -13.415 2.276 1.00 0.00 C ATOM 543 CE LYS A 38 16.097 -12.302 2.911 1.00 0.00 C ATOM 544 NZ LYS A 38 16.422 -12.128 4.354 1.00 0.00 N ATOM 0 H LYS A 38 14.528 -12.014 -0.192 1.00 0.00 H new ATOM 0 HA LYS A 38 16.205 -13.501 -1.830 1.00 0.00 H new ATOM 0 HB2 LYS A 38 14.882 -14.060 0.846 1.00 0.00 H new ATOM 0 HB3 LYS A 38 16.023 -15.179 0.126 1.00 0.00 H new ATOM 0 HG2 LYS A 38 17.833 -13.700 0.357 1.00 0.00 H new ATOM 0 HG3 LYS A 38 16.802 -12.286 0.454 1.00 0.00 H new ATOM 0 HD2 LYS A 38 16.526 -14.382 2.593 1.00 0.00 H new ATOM 0 HD3 LYS A 38 17.946 -13.356 2.627 1.00 0.00 H new ATOM 0 HE2 LYS A 38 16.283 -11.367 2.382 1.00 0.00 H new ATOM 0 HE3 LYS A 38 15.036 -12.525 2.802 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 15.843 -11.360 4.750 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 16.221 -13.012 4.864 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 17.429 -11.890 4.457 1.00 0.00 H new ATOM 558 N LEU A 39 13.198 -14.817 -1.480 1.00 0.00 N ATOM 559 CA LEU A 39 12.276 -15.799 -2.040 1.00 0.00 C ATOM 560 C LEU A 39 11.966 -15.484 -3.500 1.00 0.00 C ATOM 561 O LEU A 39 12.227 -16.293 -4.390 1.00 0.00 O ATOM 562 CB LEU A 39 10.980 -15.832 -1.228 1.00 0.00 C ATOM 563 CG LEU A 39 11.133 -16.106 0.269 1.00 0.00 C ATOM 564 CD1 LEU A 39 9.778 -16.078 0.958 1.00 0.00 C ATOM 565 CD2 LEU A 39 11.822 -17.444 0.498 1.00 0.00 C ATOM 0 H LEU A 39 12.790 -14.216 -0.763 1.00 0.00 H new ATOM 0 HA LEU A 39 12.753 -16.778 -1.992 1.00 0.00 H new ATOM 0 HB2 LEU A 39 10.473 -14.875 -1.352 1.00 0.00 H new ATOM 0 HB3 LEU A 39 10.328 -16.596 -1.652 1.00 0.00 H new ATOM 0 HG LEU A 39 11.754 -15.321 0.701 1.00 0.00 H new ATOM 0 HD11 LEU A 39 9.907 -16.275 2.022 1.00 0.00 H new ATOM 0 HD12 LEU A 39 9.321 -15.097 0.823 1.00 0.00 H new ATOM 0 HD13 LEU A 39 9.133 -16.841 0.523 1.00 0.00 H new ATOM 0 HD21 LEU A 39 11.923 -17.623 1.568 1.00 0.00 H new ATOM 0 HD22 LEU A 39 11.227 -18.241 0.051 1.00 0.00 H new ATOM 0 HD23 LEU A 39 12.810 -17.428 0.038 1.00 0.00 H new ATOM 577 N VAL A 40 11.409 -14.301 -3.740 1.00 0.00 N ATOM 578 CA VAL A 40 11.066 -13.877 -5.092 1.00 0.00 C ATOM 579 C VAL A 40 12.308 -13.794 -5.973 1.00 0.00 C ATOM 580 O VAL A 40 13.238 -13.032 -5.708 1.00 0.00 O ATOM 581 CB VAL A 40 10.360 -12.508 -5.089 1.00 0.00 C ATOM 582 CG1 VAL A 40 9.992 -12.094 -6.506 1.00 0.00 C ATOM 583 CG2 VAL A 40 9.127 -12.547 -4.199 1.00 0.00 C ATOM 0 H VAL A 40 11.186 -13.619 -3.015 1.00 0.00 H new ATOM 0 HA VAL A 40 10.386 -14.627 -5.496 1.00 0.00 H new ATOM 0 HB VAL A 40 11.048 -11.765 -4.686 1.00 0.00 H new ATOM 0 HG11 VAL A 40 9.494 -11.125 -6.484 1.00 0.00 H new ATOM 0 HG12 VAL A 40 10.896 -12.024 -7.111 1.00 0.00 H new ATOM 0 HG13 VAL A 40 9.322 -12.836 -6.939 1.00 0.00 H new ATOM 0 HG21 VAL A 40 8.640 -11.572 -4.208 1.00 0.00 H new ATOM 0 HG22 VAL A 40 8.434 -13.302 -4.570 1.00 0.00 H new ATOM 0 HG23 VAL A 40 9.422 -12.795 -3.179 1.00 0.00 H new ATOM 593 N PRO A 41 12.325 -14.596 -7.048 1.00 0.00 N ATOM 594 CA PRO A 41 13.447 -14.631 -7.991 1.00 0.00 C ATOM 595 C PRO A 41 13.548 -13.355 -8.820 1.00 0.00 C ATOM 596 O PRO A 41 13.073 -13.300 -9.953 1.00 0.00 O ATOM 597 CB PRO A 41 13.118 -15.826 -8.889 1.00 0.00 C ATOM 598 CG PRO A 41 11.636 -15.960 -8.814 1.00 0.00 C ATOM 599 CD PRO A 41 11.251 -15.530 -7.426 1.00 0.00 C ATOM 0 HA PRO A 41 14.406 -14.715 -7.480 1.00 0.00 H new ATOM 0 HB2 PRO A 41 13.449 -15.654 -9.913 1.00 0.00 H new ATOM 0 HB3 PRO A 41 13.615 -16.731 -8.541 1.00 0.00 H new ATOM 0 HG2 PRO A 41 11.149 -15.337 -9.565 1.00 0.00 H new ATOM 0 HG3 PRO A 41 11.327 -16.988 -9.004 1.00 0.00 H new ATOM 0 HD2 PRO A 41 10.274 -15.046 -7.412 1.00 0.00 H new ATOM 0 HD3 PRO A 41 11.197 -16.378 -6.743 1.00 0.00 H new ATOM 607 N GLY A 42 14.170 -12.329 -8.246 1.00 0.00 N ATOM 608 CA GLY A 42 14.322 -11.067 -8.946 1.00 0.00 C ATOM 609 C GLY A 42 13.135 -10.146 -8.746 1.00 0.00 C ATOM 610 O GLY A 42 12.323 -9.962 -9.653 1.00 0.00 O ATOM 0 H GLY A 42 14.571 -12.350 -7.308 1.00 0.00 H new ATOM 0 HA2 GLY A 42 15.227 -10.569 -8.598 1.00 0.00 H new ATOM 0 HA3 GLY A 42 14.453 -11.259 -10.011 1.00 0.00 H new ATOM 614 N TYR A 43 13.032 -9.567 -7.554 1.00 0.00 N ATOM 615 CA TYR A 43 11.933 -8.664 -7.236 1.00 0.00 C ATOM 616 C TYR A 43 12.345 -7.210 -7.448 1.00 0.00 C ATOM 617 O TYR A 43 11.705 -6.474 -8.200 1.00 0.00 O ATOM 618 CB TYR A 43 11.478 -8.871 -5.791 1.00 0.00 C ATOM 619 CG TYR A 43 10.206 -8.130 -5.445 1.00 0.00 C ATOM 620 CD1 TYR A 43 8.989 -8.499 -6.005 1.00 0.00 C ATOM 621 CD2 TYR A 43 10.221 -7.062 -4.556 1.00 0.00 C ATOM 622 CE1 TYR A 43 7.825 -7.824 -5.693 1.00 0.00 C ATOM 623 CE2 TYR A 43 9.061 -6.382 -4.237 1.00 0.00 C ATOM 624 CZ TYR A 43 7.866 -6.767 -4.808 1.00 0.00 C ATOM 625 OH TYR A 43 6.708 -6.094 -4.493 1.00 0.00 O ATOM 0 H TYR A 43 13.696 -9.707 -6.793 1.00 0.00 H new ATOM 0 HA TYR A 43 11.104 -8.890 -7.907 1.00 0.00 H new ATOM 0 HB2 TYR A 43 11.327 -9.936 -5.615 1.00 0.00 H new ATOM 0 HB3 TYR A 43 12.272 -8.546 -5.119 1.00 0.00 H new ATOM 0 HD1 TYR A 43 8.953 -9.328 -6.696 1.00 0.00 H new ATOM 0 HD2 TYR A 43 11.155 -6.758 -4.107 1.00 0.00 H new ATOM 0 HE1 TYR A 43 6.888 -8.122 -6.140 1.00 0.00 H new ATOM 0 HE2 TYR A 43 9.090 -5.554 -3.544 1.00 0.00 H new ATOM 0 HH TYR A 43 6.909 -5.378 -3.855 1.00 0.00 H new ATOM 635 N LYS A 44 13.419 -6.802 -6.781 1.00 0.00 N ATOM 636 CA LYS A 44 13.919 -5.438 -6.895 1.00 0.00 C ATOM 637 C LYS A 44 14.192 -5.079 -8.353 1.00 0.00 C ATOM 638 O LYS A 44 13.975 -3.942 -8.774 1.00 0.00 O ATOM 639 CB LYS A 44 15.198 -5.271 -6.071 1.00 0.00 C ATOM 640 CG LYS A 44 14.989 -5.466 -4.579 1.00 0.00 C ATOM 641 CD LYS A 44 14.485 -4.195 -3.915 1.00 0.00 C ATOM 642 CE LYS A 44 15.576 -3.138 -3.834 1.00 0.00 C ATOM 643 NZ LYS A 44 15.597 -2.270 -5.044 1.00 0.00 N ATOM 0 H LYS A 44 13.960 -7.398 -6.155 1.00 0.00 H new ATOM 0 HA LYS A 44 13.154 -4.764 -6.509 1.00 0.00 H new ATOM 0 HB2 LYS A 44 15.942 -5.986 -6.422 1.00 0.00 H new ATOM 0 HB3 LYS A 44 15.605 -4.275 -6.245 1.00 0.00 H new ATOM 0 HG2 LYS A 44 14.274 -6.272 -4.413 1.00 0.00 H new ATOM 0 HG3 LYS A 44 15.927 -5.772 -4.116 1.00 0.00 H new ATOM 0 HD2 LYS A 44 13.637 -3.802 -4.476 1.00 0.00 H new ATOM 0 HD3 LYS A 44 14.125 -4.425 -2.912 1.00 0.00 H new ATOM 0 HE2 LYS A 44 15.420 -2.522 -2.948 1.00 0.00 H new ATOM 0 HE3 LYS A 44 16.545 -3.624 -3.719 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 16.467 -2.450 -5.585 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 14.770 -2.482 -5.638 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 15.569 -1.271 -4.755 1.00 0.00 H new ATOM 657 N LYS A 45 14.666 -6.055 -9.119 1.00 0.00 N ATOM 658 CA LYS A 45 14.966 -5.844 -10.530 1.00 0.00 C ATOM 659 C LYS A 45 13.783 -5.201 -11.247 1.00 0.00 C ATOM 660 O LYS A 45 13.939 -4.208 -11.957 1.00 0.00 O ATOM 661 CB LYS A 45 15.322 -7.172 -11.201 1.00 0.00 C ATOM 662 CG LYS A 45 16.782 -7.560 -11.045 1.00 0.00 C ATOM 663 CD LYS A 45 17.628 -7.021 -12.186 1.00 0.00 C ATOM 664 CE LYS A 45 17.574 -7.935 -13.401 1.00 0.00 C ATOM 665 NZ LYS A 45 18.683 -7.656 -14.355 1.00 0.00 N ATOM 0 H LYS A 45 14.851 -7.001 -8.786 1.00 0.00 H new ATOM 0 HA LYS A 45 15.820 -5.170 -10.598 1.00 0.00 H new ATOM 0 HB2 LYS A 45 14.698 -7.961 -10.780 1.00 0.00 H new ATOM 0 HB3 LYS A 45 15.083 -7.109 -12.263 1.00 0.00 H new ATOM 0 HG2 LYS A 45 17.162 -7.178 -10.097 1.00 0.00 H new ATOM 0 HG3 LYS A 45 16.869 -8.646 -11.008 1.00 0.00 H new ATOM 0 HD2 LYS A 45 17.277 -6.026 -12.462 1.00 0.00 H new ATOM 0 HD3 LYS A 45 18.661 -6.914 -11.855 1.00 0.00 H new ATOM 0 HE2 LYS A 45 17.627 -8.974 -13.076 1.00 0.00 H new ATOM 0 HE3 LYS A 45 16.618 -7.808 -13.909 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 18.611 -8.299 -15.169 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 18.618 -6.672 -14.685 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 19.596 -7.802 -13.878 1.00 0.00 H new ATOM 679 N VAL A 46 12.598 -5.773 -11.055 1.00 0.00 N ATOM 680 CA VAL A 46 11.388 -5.254 -11.681 1.00 0.00 C ATOM 681 C VAL A 46 10.828 -4.072 -10.898 1.00 0.00 C ATOM 682 O VAL A 46 10.469 -3.045 -11.476 1.00 0.00 O ATOM 683 CB VAL A 46 10.303 -6.342 -11.793 1.00 0.00 C ATOM 684 CG1 VAL A 46 9.011 -5.753 -12.338 1.00 0.00 C ATOM 685 CG2 VAL A 46 10.788 -7.488 -12.668 1.00 0.00 C ATOM 0 H VAL A 46 12.451 -6.596 -10.471 1.00 0.00 H new ATOM 0 HA VAL A 46 11.666 -4.924 -12.682 1.00 0.00 H new ATOM 0 HB VAL A 46 10.102 -6.736 -10.797 1.00 0.00 H new ATOM 0 HG11 VAL A 46 8.256 -6.536 -12.410 1.00 0.00 H new ATOM 0 HG12 VAL A 46 8.658 -4.969 -11.668 1.00 0.00 H new ATOM 0 HG13 VAL A 46 9.192 -5.331 -13.327 1.00 0.00 H new ATOM 0 HG21 VAL A 46 10.010 -8.248 -12.737 1.00 0.00 H new ATOM 0 HG22 VAL A 46 11.017 -7.112 -13.665 1.00 0.00 H new ATOM 0 HG23 VAL A 46 11.685 -7.926 -12.230 1.00 0.00 H new ATOM 695 N ILE A 47 10.755 -4.224 -9.580 1.00 0.00 N ATOM 696 CA ILE A 47 10.240 -3.168 -8.717 1.00 0.00 C ATOM 697 C ILE A 47 11.342 -2.190 -8.326 1.00 0.00 C ATOM 698 O ILE A 47 12.207 -2.506 -7.509 1.00 0.00 O ATOM 699 CB ILE A 47 9.605 -3.746 -7.438 1.00 0.00 C ATOM 700 CG1 ILE A 47 8.440 -4.671 -7.794 1.00 0.00 C ATOM 701 CG2 ILE A 47 9.136 -2.622 -6.526 1.00 0.00 C ATOM 702 CD1 ILE A 47 7.396 -4.018 -8.673 1.00 0.00 C ATOM 0 H ILE A 47 11.046 -5.068 -9.087 1.00 0.00 H new ATOM 0 HA ILE A 47 9.475 -2.640 -9.287 1.00 0.00 H new ATOM 0 HB ILE A 47 10.358 -4.329 -6.907 1.00 0.00 H new ATOM 0 HG12 ILE A 47 8.830 -5.554 -8.301 1.00 0.00 H new ATOM 0 HG13 ILE A 47 7.966 -5.015 -6.875 1.00 0.00 H new ATOM 0 HG21 ILE A 47 8.690 -3.046 -5.626 1.00 0.00 H new ATOM 0 HG22 ILE A 47 9.986 -1.999 -6.250 1.00 0.00 H new ATOM 0 HG23 ILE A 47 8.396 -2.015 -7.047 1.00 0.00 H new ATOM 0 HD11 ILE A 47 6.600 -4.732 -8.885 1.00 0.00 H new ATOM 0 HD12 ILE A 47 6.979 -3.152 -8.160 1.00 0.00 H new ATOM 0 HD13 ILE A 47 7.856 -3.699 -9.608 1.00 0.00 H new ATOM 714 N LYS A 48 11.305 -0.999 -8.915 1.00 0.00 N ATOM 715 CA LYS A 48 12.299 0.028 -8.627 1.00 0.00 C ATOM 716 C LYS A 48 12.287 0.397 -7.147 1.00 0.00 C ATOM 717 O LYS A 48 13.336 0.468 -6.506 1.00 0.00 O ATOM 718 CB LYS A 48 12.035 1.274 -9.476 1.00 0.00 C ATOM 719 CG LYS A 48 12.239 1.050 -10.965 1.00 0.00 C ATOM 720 CD LYS A 48 10.955 0.598 -11.641 1.00 0.00 C ATOM 721 CE LYS A 48 11.025 0.784 -13.149 1.00 0.00 C ATOM 722 NZ LYS A 48 10.019 -0.054 -13.858 1.00 0.00 N ATOM 0 H LYS A 48 10.597 -0.722 -9.595 1.00 0.00 H new ATOM 0 HA LYS A 48 13.282 -0.373 -8.876 1.00 0.00 H new ATOM 0 HB2 LYS A 48 11.012 1.610 -9.304 1.00 0.00 H new ATOM 0 HB3 LYS A 48 12.694 2.076 -9.144 1.00 0.00 H new ATOM 0 HG2 LYS A 48 12.590 1.972 -11.428 1.00 0.00 H new ATOM 0 HG3 LYS A 48 13.016 0.301 -11.118 1.00 0.00 H new ATOM 0 HD2 LYS A 48 10.771 -0.451 -11.411 1.00 0.00 H new ATOM 0 HD3 LYS A 48 10.113 1.164 -11.242 1.00 0.00 H new ATOM 0 HE2 LYS A 48 10.861 1.833 -13.394 1.00 0.00 H new ATOM 0 HE3 LYS A 48 12.024 0.527 -13.501 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 10.099 0.101 -14.883 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 10.191 -1.057 -13.645 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 9.064 0.208 -13.541 1.00 0.00 H new ATOM 736 N LYS A 49 11.095 0.631 -6.610 1.00 0.00 N ATOM 737 CA LYS A 49 10.946 0.990 -5.204 1.00 0.00 C ATOM 738 C LYS A 49 9.860 0.149 -4.540 1.00 0.00 C ATOM 739 O LYS A 49 8.674 0.476 -4.583 1.00 0.00 O ATOM 740 CB LYS A 49 10.607 2.476 -5.070 1.00 0.00 C ATOM 741 CG LYS A 49 11.830 3.376 -5.019 1.00 0.00 C ATOM 742 CD LYS A 49 11.447 4.843 -5.124 1.00 0.00 C ATOM 743 CE LYS A 49 10.970 5.391 -3.787 1.00 0.00 C ATOM 744 NZ LYS A 49 10.078 6.571 -3.958 1.00 0.00 N ATOM 0 H LYS A 49 10.217 0.579 -7.127 1.00 0.00 H new ATOM 0 HA LYS A 49 11.893 0.792 -4.702 1.00 0.00 H new ATOM 0 HB2 LYS A 49 9.981 2.775 -5.911 1.00 0.00 H new ATOM 0 HB3 LYS A 49 10.018 2.626 -4.165 1.00 0.00 H new ATOM 0 HG2 LYS A 49 12.370 3.206 -4.087 1.00 0.00 H new ATOM 0 HG3 LYS A 49 12.508 3.117 -5.832 1.00 0.00 H new ATOM 0 HD2 LYS A 49 12.304 5.420 -5.470 1.00 0.00 H new ATOM 0 HD3 LYS A 49 10.660 4.963 -5.869 1.00 0.00 H new ATOM 0 HE2 LYS A 49 10.439 4.610 -3.243 1.00 0.00 H new ATOM 0 HE3 LYS A 49 11.832 5.672 -3.181 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 9.774 6.915 -3.025 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 10.593 7.326 -4.455 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 9.243 6.297 -4.514 1.00 0.00 H new ATOM 758 N PRO A 50 10.274 -0.961 -3.910 1.00 0.00 N ATOM 759 CA PRO A 50 9.352 -1.871 -3.223 1.00 0.00 C ATOM 760 C PRO A 50 8.763 -1.254 -1.959 1.00 0.00 C ATOM 761 O PRO A 50 9.423 -1.193 -0.921 1.00 0.00 O ATOM 762 CB PRO A 50 10.235 -3.071 -2.871 1.00 0.00 C ATOM 763 CG PRO A 50 11.616 -2.517 -2.800 1.00 0.00 C ATOM 764 CD PRO A 50 11.672 -1.412 -3.818 1.00 0.00 C ATOM 0 HA PRO A 50 8.492 -2.124 -3.843 1.00 0.00 H new ATOM 0 HB2 PRO A 50 9.938 -3.516 -1.922 1.00 0.00 H new ATOM 0 HB3 PRO A 50 10.160 -3.853 -3.627 1.00 0.00 H new ATOM 0 HG2 PRO A 50 11.834 -2.139 -1.801 1.00 0.00 H new ATOM 0 HG3 PRO A 50 12.357 -3.286 -3.018 1.00 0.00 H new ATOM 0 HD2 PRO A 50 12.334 -0.606 -3.500 1.00 0.00 H new ATOM 0 HD3 PRO A 50 12.043 -1.769 -4.779 1.00 0.00 H new ATOM 772 N MET A 51 7.518 -0.798 -2.053 1.00 0.00 N ATOM 773 CA MET A 51 6.841 -0.187 -0.915 1.00 0.00 C ATOM 774 C MET A 51 5.813 -1.143 -0.317 1.00 0.00 C ATOM 775 O MET A 51 5.444 -2.139 -0.938 1.00 0.00 O ATOM 776 CB MET A 51 6.157 1.114 -1.340 1.00 0.00 C ATOM 777 CG MET A 51 5.647 1.942 -0.172 1.00 0.00 C ATOM 778 SD MET A 51 6.948 2.362 1.003 1.00 0.00 S ATOM 779 CE MET A 51 8.047 3.320 -0.037 1.00 0.00 C ATOM 0 H MET A 51 6.958 -0.840 -2.905 1.00 0.00 H new ATOM 0 HA MET A 51 7.590 0.036 -0.155 1.00 0.00 H new ATOM 0 HB2 MET A 51 6.860 1.712 -1.919 1.00 0.00 H new ATOM 0 HB3 MET A 51 5.322 0.877 -1.999 1.00 0.00 H new ATOM 0 HG2 MET A 51 5.196 2.859 -0.551 1.00 0.00 H new ATOM 0 HG3 MET A 51 4.861 1.390 0.344 1.00 0.00 H new ATOM 0 HE1 MET A 51 8.751 3.870 0.587 1.00 0.00 H new ATOM 0 HE2 MET A 51 8.595 2.651 -0.700 1.00 0.00 H new ATOM 0 HE3 MET A 51 7.464 4.023 -0.632 1.00 0.00 H new ATOM 789 N ASP A 52 5.356 -0.832 0.891 1.00 0.00 N ATOM 790 CA ASP A 52 4.371 -1.664 1.573 1.00 0.00 C ATOM 791 C ASP A 52 3.711 -0.898 2.715 1.00 0.00 C ATOM 792 O ASP A 52 4.357 -0.103 3.398 1.00 0.00 O ATOM 793 CB ASP A 52 5.029 -2.937 2.108 1.00 0.00 C ATOM 794 CG ASP A 52 6.365 -2.664 2.770 1.00 0.00 C ATOM 795 OD1 ASP A 52 6.389 -1.921 3.774 1.00 0.00 O ATOM 796 OD2 ASP A 52 7.386 -3.193 2.285 1.00 0.00 O ATOM 0 H ASP A 52 5.652 -0.010 1.418 1.00 0.00 H new ATOM 0 HA ASP A 52 3.602 -1.939 0.851 1.00 0.00 H new ATOM 0 HB2 ASP A 52 4.362 -3.413 2.826 1.00 0.00 H new ATOM 0 HB3 ASP A 52 5.170 -3.642 1.288 1.00 0.00 H new ATOM 801 N PHE A 53 2.421 -1.143 2.918 1.00 0.00 N ATOM 802 CA PHE A 53 1.673 -0.475 3.976 1.00 0.00 C ATOM 803 C PHE A 53 2.420 -0.556 5.304 1.00 0.00 C ATOM 804 O PHE A 53 2.406 0.388 6.095 1.00 0.00 O ATOM 805 CB PHE A 53 0.284 -1.101 4.121 1.00 0.00 C ATOM 806 CG PHE A 53 -0.650 -0.754 2.996 1.00 0.00 C ATOM 807 CD1 PHE A 53 -0.749 0.549 2.538 1.00 0.00 C ATOM 808 CD2 PHE A 53 -1.427 -1.733 2.398 1.00 0.00 C ATOM 809 CE1 PHE A 53 -1.608 0.871 1.504 1.00 0.00 C ATOM 810 CE2 PHE A 53 -2.287 -1.417 1.363 1.00 0.00 C ATOM 811 CZ PHE A 53 -2.377 -0.114 0.915 1.00 0.00 C ATOM 0 H PHE A 53 1.872 -1.800 2.363 1.00 0.00 H new ATOM 0 HA PHE A 53 1.565 0.575 3.703 1.00 0.00 H new ATOM 0 HB2 PHE A 53 0.387 -2.185 4.176 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -0.157 -0.774 5.063 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -0.148 1.322 2.994 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -1.360 -2.754 2.744 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -1.678 1.891 1.157 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -2.888 -2.189 0.905 1.00 0.00 H new ATOM 0 HZ PHE A 53 -3.047 0.135 0.106 1.00 0.00 H new ATOM 821 N SER A 54 3.072 -1.689 5.542 1.00 0.00 N ATOM 822 CA SER A 54 3.822 -1.896 6.775 1.00 0.00 C ATOM 823 C SER A 54 4.840 -0.779 6.986 1.00 0.00 C ATOM 824 O SER A 54 4.936 -0.206 8.071 1.00 0.00 O ATOM 825 CB SER A 54 4.532 -3.251 6.744 1.00 0.00 C ATOM 826 OG SER A 54 5.188 -3.454 5.505 1.00 0.00 O ATOM 0 H SER A 54 3.096 -2.478 4.897 1.00 0.00 H new ATOM 0 HA SER A 54 3.117 -1.883 7.606 1.00 0.00 H new ATOM 0 HB2 SER A 54 5.257 -3.304 7.556 1.00 0.00 H new ATOM 0 HB3 SER A 54 3.808 -4.049 6.911 1.00 0.00 H new ATOM 0 HG SER A 54 5.834 -2.732 5.354 1.00 0.00 H new ATOM 832 N THR A 55 5.600 -0.476 5.938 1.00 0.00 N ATOM 833 CA THR A 55 6.613 0.571 6.007 1.00 0.00 C ATOM 834 C THR A 55 5.974 1.955 6.000 1.00 0.00 C ATOM 835 O THR A 55 6.270 2.789 6.856 1.00 0.00 O ATOM 836 CB THR A 55 7.605 0.470 4.833 1.00 0.00 C ATOM 837 OG1 THR A 55 8.290 -0.786 4.877 1.00 0.00 O ATOM 838 CG2 THR A 55 8.615 1.607 4.879 1.00 0.00 C ATOM 0 H THR A 55 5.534 -0.940 5.032 1.00 0.00 H new ATOM 0 HA THR A 55 7.153 0.428 6.943 1.00 0.00 H new ATOM 0 HB THR A 55 7.042 0.543 3.903 1.00 0.00 H new ATOM 0 HG1 THR A 55 7.820 -1.435 4.313 1.00 0.00 H new ATOM 0 HG21 THR A 55 9.305 1.515 4.040 1.00 0.00 H new ATOM 0 HG22 THR A 55 8.092 2.561 4.815 1.00 0.00 H new ATOM 0 HG23 THR A 55 9.173 1.561 5.814 1.00 0.00 H new ATOM 846 N ILE A 56 5.097 2.192 5.031 1.00 0.00 N ATOM 847 CA ILE A 56 4.415 3.475 4.915 1.00 0.00 C ATOM 848 C ILE A 56 3.789 3.887 6.243 1.00 0.00 C ATOM 849 O ILE A 56 3.821 5.059 6.620 1.00 0.00 O ATOM 850 CB ILE A 56 3.319 3.435 3.834 1.00 0.00 C ATOM 851 CG1 ILE A 56 3.939 3.187 2.458 1.00 0.00 C ATOM 852 CG2 ILE A 56 2.525 4.733 3.837 1.00 0.00 C ATOM 853 CD1 ILE A 56 2.926 2.814 1.398 1.00 0.00 C ATOM 0 H ILE A 56 4.842 1.512 4.315 1.00 0.00 H new ATOM 0 HA ILE A 56 5.169 4.208 4.629 1.00 0.00 H new ATOM 0 HB ILE A 56 2.638 2.614 4.058 1.00 0.00 H new ATOM 0 HG12 ILE A 56 4.471 4.084 2.141 1.00 0.00 H new ATOM 0 HG13 ILE A 56 4.678 2.390 2.540 1.00 0.00 H new ATOM 0 HG21 ILE A 56 1.754 4.690 3.068 1.00 0.00 H new ATOM 0 HG22 ILE A 56 2.057 4.871 4.812 1.00 0.00 H new ATOM 0 HG23 ILE A 56 3.194 5.569 3.634 1.00 0.00 H new ATOM 0 HD11 ILE A 56 3.436 2.653 0.448 1.00 0.00 H new ATOM 0 HD12 ILE A 56 2.411 1.900 1.693 1.00 0.00 H new ATOM 0 HD13 ILE A 56 2.201 3.620 1.288 1.00 0.00 H new ATOM 865 N ARG A 57 3.222 2.915 6.950 1.00 0.00 N ATOM 866 CA ARG A 57 2.588 3.176 8.237 1.00 0.00 C ATOM 867 C ARG A 57 3.543 3.909 9.174 1.00 0.00 C ATOM 868 O ARG A 57 3.244 5.005 9.646 1.00 0.00 O ATOM 869 CB ARG A 57 2.132 1.864 8.880 1.00 0.00 C ATOM 870 CG ARG A 57 1.434 2.052 10.217 1.00 0.00 C ATOM 871 CD ARG A 57 0.023 2.590 10.037 1.00 0.00 C ATOM 872 NE ARG A 57 -0.951 1.519 9.847 1.00 0.00 N ATOM 873 CZ ARG A 57 -1.455 0.799 10.843 1.00 0.00 C ATOM 874 NH1 ARG A 57 -1.080 1.034 12.092 1.00 0.00 N ATOM 875 NH2 ARG A 57 -2.338 -0.160 10.590 1.00 0.00 N ATOM 0 H ARG A 57 3.189 1.940 6.653 1.00 0.00 H new ATOM 0 HA ARG A 57 1.718 3.810 8.064 1.00 0.00 H new ATOM 0 HB2 ARG A 57 1.457 1.349 8.196 1.00 0.00 H new ATOM 0 HB3 ARG A 57 2.998 1.217 9.020 1.00 0.00 H new ATOM 0 HG2 ARG A 57 1.397 1.100 10.747 1.00 0.00 H new ATOM 0 HG3 ARG A 57 2.010 2.739 10.836 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -0.254 3.181 10.910 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -0.003 3.260 9.178 1.00 0.00 H new ATOM 0 HE ARG A 57 -1.261 1.312 8.898 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -0.402 1.770 12.291 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -1.469 0.479 12.854 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -2.630 -0.344 9.630 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -2.724 -0.712 11.356 1.00 0.00 H new ATOM 889 N GLU A 58 4.693 3.295 9.439 1.00 0.00 N ATOM 890 CA GLU A 58 5.690 3.890 10.321 1.00 0.00 C ATOM 891 C GLU A 58 6.174 5.228 9.770 1.00 0.00 C ATOM 892 O GLU A 58 6.319 6.202 10.509 1.00 0.00 O ATOM 893 CB GLU A 58 6.876 2.940 10.499 1.00 0.00 C ATOM 894 CG GLU A 58 6.548 1.704 11.320 1.00 0.00 C ATOM 895 CD GLU A 58 6.230 2.031 12.766 1.00 0.00 C ATOM 896 OE1 GLU A 58 7.083 2.651 13.436 1.00 0.00 O ATOM 897 OE2 GLU A 58 5.128 1.668 13.228 1.00 0.00 O ATOM 0 H GLU A 58 4.956 2.387 9.056 1.00 0.00 H new ATOM 0 HA GLU A 58 5.224 4.064 11.291 1.00 0.00 H new ATOM 0 HB2 GLU A 58 7.232 2.629 9.517 1.00 0.00 H new ATOM 0 HB3 GLU A 58 7.693 3.478 10.979 1.00 0.00 H new ATOM 0 HG2 GLU A 58 5.697 1.190 10.872 1.00 0.00 H new ATOM 0 HG3 GLU A 58 7.391 1.015 11.284 1.00 0.00 H new ATOM 904 N LYS A 59 6.424 5.269 8.465 1.00 0.00 N ATOM 905 CA LYS A 59 6.892 6.486 7.813 1.00 0.00 C ATOM 906 C LYS A 59 5.885 7.618 7.987 1.00 0.00 C ATOM 907 O LYS A 59 6.262 8.783 8.120 1.00 0.00 O ATOM 908 CB LYS A 59 7.135 6.230 6.324 1.00 0.00 C ATOM 909 CG LYS A 59 8.375 5.399 6.044 1.00 0.00 C ATOM 910 CD LYS A 59 8.552 5.145 4.556 1.00 0.00 C ATOM 911 CE LYS A 59 9.203 6.331 3.861 1.00 0.00 C ATOM 912 NZ LYS A 59 10.688 6.220 3.848 1.00 0.00 N ATOM 0 H LYS A 59 6.310 4.472 7.838 1.00 0.00 H new ATOM 0 HA LYS A 59 7.830 6.782 8.282 1.00 0.00 H new ATOM 0 HB2 LYS A 59 6.266 5.723 5.905 1.00 0.00 H new ATOM 0 HB3 LYS A 59 7.225 7.187 5.809 1.00 0.00 H new ATOM 0 HG2 LYS A 59 9.254 5.913 6.433 1.00 0.00 H new ATOM 0 HG3 LYS A 59 8.303 4.447 6.570 1.00 0.00 H new ATOM 0 HD2 LYS A 59 9.164 4.255 4.408 1.00 0.00 H new ATOM 0 HD3 LYS A 59 7.582 4.944 4.102 1.00 0.00 H new ATOM 0 HE2 LYS A 59 8.835 6.399 2.837 1.00 0.00 H new ATOM 0 HE3 LYS A 59 8.912 7.252 4.366 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 11.056 6.588 2.948 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 11.084 6.772 4.635 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 10.962 5.222 3.952 1.00 0.00 H new ATOM 926 N LEU A 60 4.603 7.269 7.987 1.00 0.00 N ATOM 927 CA LEU A 60 3.541 8.256 8.147 1.00 0.00 C ATOM 928 C LEU A 60 3.494 8.778 9.579 1.00 0.00 C ATOM 929 O LEU A 60 3.454 9.987 9.808 1.00 0.00 O ATOM 930 CB LEU A 60 2.190 7.646 7.770 1.00 0.00 C ATOM 931 CG LEU A 60 1.163 8.607 7.170 1.00 0.00 C ATOM 932 CD1 LEU A 60 -0.210 7.956 7.117 1.00 0.00 C ATOM 933 CD2 LEU A 60 1.112 9.900 7.971 1.00 0.00 C ATOM 0 H LEU A 60 4.274 6.310 7.878 1.00 0.00 H new ATOM 0 HA LEU A 60 3.753 9.093 7.482 1.00 0.00 H new ATOM 0 HB2 LEU A 60 2.364 6.841 7.057 1.00 0.00 H new ATOM 0 HB3 LEU A 60 1.757 7.194 8.662 1.00 0.00 H new ATOM 0 HG LEU A 60 1.468 8.846 6.151 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -0.928 8.655 6.687 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -0.164 7.058 6.500 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -0.524 7.687 8.125 1.00 0.00 H new ATOM 0 HD21 LEU A 60 0.376 10.572 7.530 1.00 0.00 H new ATOM 0 HD22 LEU A 60 0.831 9.679 9.001 1.00 0.00 H new ATOM 0 HD23 LEU A 60 2.093 10.376 7.957 1.00 0.00 H new ATOM 945 N SER A 61 3.502 7.859 10.539 1.00 0.00 N ATOM 946 CA SER A 61 3.459 8.227 11.950 1.00 0.00 C ATOM 947 C SER A 61 4.693 9.035 12.338 1.00 0.00 C ATOM 948 O SER A 61 4.588 10.077 12.986 1.00 0.00 O ATOM 949 CB SER A 61 3.359 6.975 12.823 1.00 0.00 C ATOM 950 OG SER A 61 2.724 7.262 14.056 1.00 0.00 O ATOM 0 H SER A 61 3.538 6.854 10.366 1.00 0.00 H new ATOM 0 HA SER A 61 2.576 8.845 12.112 1.00 0.00 H new ATOM 0 HB2 SER A 61 2.801 6.203 12.294 1.00 0.00 H new ATOM 0 HB3 SER A 61 4.357 6.577 13.008 1.00 0.00 H new ATOM 0 HG SER A 61 2.671 6.445 14.595 1.00 0.00 H new ATOM 956 N SER A 62 5.863 8.546 11.939 1.00 0.00 N ATOM 957 CA SER A 62 7.119 9.219 12.248 1.00 0.00 C ATOM 958 C SER A 62 7.134 10.632 11.671 1.00 0.00 C ATOM 959 O SER A 62 7.856 11.503 12.153 1.00 0.00 O ATOM 960 CB SER A 62 8.300 8.419 11.696 1.00 0.00 C ATOM 961 OG SER A 62 8.041 7.971 10.377 1.00 0.00 O ATOM 0 H SER A 62 5.967 7.686 11.401 1.00 0.00 H new ATOM 0 HA SER A 62 7.210 9.286 13.332 1.00 0.00 H new ATOM 0 HB2 SER A 62 9.197 9.038 11.704 1.00 0.00 H new ATOM 0 HB3 SER A 62 8.497 7.563 12.342 1.00 0.00 H new ATOM 0 HG SER A 62 7.625 7.084 10.408 1.00 0.00 H new ATOM 967 N GLY A 63 6.330 10.851 10.635 1.00 0.00 N ATOM 968 CA GLY A 63 6.265 12.158 10.009 1.00 0.00 C ATOM 969 C GLY A 63 7.281 12.319 8.896 1.00 0.00 C ATOM 970 O GLY A 63 7.855 13.394 8.722 1.00 0.00 O ATOM 0 H GLY A 63 5.722 10.146 10.218 1.00 0.00 H new ATOM 0 HA2 GLY A 63 5.264 12.316 9.608 1.00 0.00 H new ATOM 0 HA3 GLY A 63 6.432 12.927 10.763 1.00 0.00 H new ATOM 974 N GLN A 64 7.506 11.247 8.142 1.00 0.00 N ATOM 975 CA GLN A 64 8.462 11.275 7.042 1.00 0.00 C ATOM 976 C GLN A 64 7.903 12.051 5.854 1.00 0.00 C ATOM 977 O GLN A 64 8.649 12.692 5.113 1.00 0.00 O ATOM 978 CB GLN A 64 8.819 9.850 6.613 1.00 0.00 C ATOM 979 CG GLN A 64 9.513 9.044 7.699 1.00 0.00 C ATOM 980 CD GLN A 64 10.411 7.960 7.137 1.00 0.00 C ATOM 981 OE1 GLN A 64 10.482 7.764 5.923 1.00 0.00 O ATOM 982 NE2 GLN A 64 11.105 7.250 8.018 1.00 0.00 N ATOM 0 H GLN A 64 7.039 10.349 8.273 1.00 0.00 H new ATOM 0 HA GLN A 64 9.363 11.779 7.390 1.00 0.00 H new ATOM 0 HB2 GLN A 64 7.909 9.331 6.312 1.00 0.00 H new ATOM 0 HB3 GLN A 64 9.465 9.894 5.736 1.00 0.00 H new ATOM 0 HG2 GLN A 64 10.105 9.715 8.322 1.00 0.00 H new ATOM 0 HG3 GLN A 64 8.762 8.590 8.345 1.00 0.00 H new ATOM 0 HE21 GLN A 64 11.016 7.446 9.015 1.00 0.00 H new ATOM 0 HE22 GLN A 64 11.728 6.508 7.698 1.00 0.00 H new ATOM 991 N TYR A 65 6.588 11.989 5.679 1.00 0.00 N ATOM 992 CA TYR A 65 5.930 12.684 4.580 1.00 0.00 C ATOM 993 C TYR A 65 5.742 14.163 4.904 1.00 0.00 C ATOM 994 O TYR A 65 5.027 14.535 5.835 1.00 0.00 O ATOM 995 CB TYR A 65 4.575 12.041 4.280 1.00 0.00 C ATOM 996 CG TYR A 65 4.658 10.559 3.990 1.00 0.00 C ATOM 997 CD1 TYR A 65 5.359 10.086 2.888 1.00 0.00 C ATOM 998 CD2 TYR A 65 4.037 9.633 4.818 1.00 0.00 C ATOM 999 CE1 TYR A 65 5.438 8.733 2.618 1.00 0.00 C ATOM 1000 CE2 TYR A 65 4.112 8.278 4.558 1.00 0.00 C ATOM 1001 CZ TYR A 65 4.813 7.833 3.456 1.00 0.00 C ATOM 1002 OH TYR A 65 4.889 6.485 3.192 1.00 0.00 O ATOM 0 H TYR A 65 5.957 11.464 6.284 1.00 0.00 H new ATOM 0 HA TYR A 65 6.567 12.602 3.700 1.00 0.00 H new ATOM 0 HB2 TYR A 65 3.911 12.200 5.130 1.00 0.00 H new ATOM 0 HB3 TYR A 65 4.124 12.545 3.425 1.00 0.00 H new ATOM 0 HD1 TYR A 65 5.851 10.788 2.231 1.00 0.00 H new ATOM 0 HD2 TYR A 65 3.486 9.978 5.680 1.00 0.00 H new ATOM 0 HE1 TYR A 65 5.986 8.382 1.756 1.00 0.00 H new ATOM 0 HE2 TYR A 65 3.625 7.571 5.214 1.00 0.00 H new ATOM 0 HH TYR A 65 5.675 6.108 3.640 1.00 0.00 H new ATOM 1012 N PRO A 66 6.400 15.028 4.118 1.00 0.00 N ATOM 1013 CA PRO A 66 6.322 16.480 4.300 1.00 0.00 C ATOM 1014 C PRO A 66 4.951 17.038 3.933 1.00 0.00 C ATOM 1015 O PRO A 66 4.559 18.105 4.402 1.00 0.00 O ATOM 1016 CB PRO A 66 7.390 17.016 3.343 1.00 0.00 C ATOM 1017 CG PRO A 66 7.522 15.965 2.296 1.00 0.00 C ATOM 1018 CD PRO A 66 7.270 14.655 2.990 1.00 0.00 C ATOM 0 HA PRO A 66 6.478 16.769 5.340 1.00 0.00 H new ATOM 0 HB2 PRO A 66 7.091 17.971 2.910 1.00 0.00 H new ATOM 0 HB3 PRO A 66 8.336 17.182 3.858 1.00 0.00 H new ATOM 0 HG2 PRO A 66 6.805 16.124 1.491 1.00 0.00 H new ATOM 0 HG3 PRO A 66 8.515 15.984 1.847 1.00 0.00 H new ATOM 0 HD2 PRO A 66 6.785 13.937 2.329 1.00 0.00 H new ATOM 0 HD3 PRO A 66 8.198 14.197 3.333 1.00 0.00 H new ATOM 1026 N ASN A 67 4.226 16.307 3.091 1.00 0.00 N ATOM 1027 CA ASN A 67 2.898 16.730 2.661 1.00 0.00 C ATOM 1028 C ASN A 67 2.119 15.558 2.071 1.00 0.00 C ATOM 1029 O ASN A 67 2.630 14.441 1.982 1.00 0.00 O ATOM 1030 CB ASN A 67 3.007 17.855 1.631 1.00 0.00 C ATOM 1031 CG ASN A 67 4.215 17.698 0.728 1.00 0.00 C ATOM 1032 OD1 ASN A 67 4.258 16.598 -0.016 1.00 0.00 O flip ATOM 1033 ND2 ASN A 67 5.099 18.554 0.700 1.00 0.00 N flip ATOM 0 H ASN A 67 4.536 15.420 2.694 1.00 0.00 H new ATOM 0 HA ASN A 67 2.360 17.098 3.535 1.00 0.00 H new ATOM 0 HB2 ASN A 67 2.103 17.876 1.023 1.00 0.00 H new ATOM 0 HB3 ASN A 67 3.066 18.813 2.148 1.00 0.00 H new ATOM 0 HD21 ASN A 67 5.025 19.384 1.289 1.00 0.00 H new ATOM 0 HD22 ASN A 67 5.906 18.434 0.088 1.00 0.00 H new ATOM 1040 N LEU A 68 0.881 15.821 1.669 1.00 0.00 N ATOM 1041 CA LEU A 68 0.030 14.789 1.086 1.00 0.00 C ATOM 1042 C LEU A 68 0.665 14.207 -0.173 1.00 0.00 C ATOM 1043 O LEU A 68 0.748 12.990 -0.331 1.00 0.00 O ATOM 1044 CB LEU A 68 -1.349 15.362 0.758 1.00 0.00 C ATOM 1045 CG LEU A 68 -2.071 16.073 1.903 1.00 0.00 C ATOM 1046 CD1 LEU A 68 -3.312 16.787 1.391 1.00 0.00 C ATOM 1047 CD2 LEU A 68 -2.436 15.083 3.000 1.00 0.00 C ATOM 0 H LEU A 68 0.444 16.740 1.736 1.00 0.00 H new ATOM 0 HA LEU A 68 -0.081 13.989 1.818 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -1.241 16.064 -0.068 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -1.983 14.549 0.405 1.00 0.00 H new ATOM 0 HG LEU A 68 -1.397 16.819 2.324 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -3.812 17.287 2.220 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -3.024 17.525 0.643 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -3.990 16.061 0.943 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -2.949 15.607 3.807 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -3.091 14.313 2.592 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -1.529 14.619 3.388 1.00 0.00 H new ATOM 1059 N GLU A 69 1.113 15.086 -1.064 1.00 0.00 N ATOM 1060 CA GLU A 69 1.741 14.659 -2.308 1.00 0.00 C ATOM 1061 C GLU A 69 2.576 13.400 -2.092 1.00 0.00 C ATOM 1062 O GLU A 69 2.235 12.323 -2.582 1.00 0.00 O ATOM 1063 CB GLU A 69 2.621 15.777 -2.871 1.00 0.00 C ATOM 1064 CG GLU A 69 2.985 15.588 -4.334 1.00 0.00 C ATOM 1065 CD GLU A 69 4.179 16.424 -4.752 1.00 0.00 C ATOM 1066 OE1 GLU A 69 4.158 17.649 -4.509 1.00 0.00 O ATOM 1067 OE2 GLU A 69 5.133 15.855 -5.321 1.00 0.00 O ATOM 0 H GLU A 69 1.053 16.097 -0.947 1.00 0.00 H new ATOM 0 HA GLU A 69 0.951 14.432 -3.024 1.00 0.00 H new ATOM 0 HB2 GLU A 69 2.103 16.729 -2.754 1.00 0.00 H new ATOM 0 HB3 GLU A 69 3.537 15.838 -2.283 1.00 0.00 H new ATOM 0 HG2 GLU A 69 3.201 14.536 -4.517 1.00 0.00 H new ATOM 0 HG3 GLU A 69 2.128 15.850 -4.954 1.00 0.00 H new ATOM 1074 N THR A 70 3.672 13.543 -1.354 1.00 0.00 N ATOM 1075 CA THR A 70 4.557 12.420 -1.074 1.00 0.00 C ATOM 1076 C THR A 70 3.767 11.198 -0.620 1.00 0.00 C ATOM 1077 O THR A 70 3.840 10.135 -1.237 1.00 0.00 O ATOM 1078 CB THR A 70 5.594 12.777 0.008 1.00 0.00 C ATOM 1079 OG1 THR A 70 4.929 13.229 1.193 1.00 0.00 O ATOM 1080 CG2 THR A 70 6.544 13.857 -0.489 1.00 0.00 C ATOM 0 H THR A 70 3.968 14.427 -0.939 1.00 0.00 H new ATOM 0 HA THR A 70 5.078 12.189 -2.003 1.00 0.00 H new ATOM 0 HB THR A 70 6.173 11.882 0.235 1.00 0.00 H new ATOM 0 HG1 THR A 70 4.139 13.754 0.945 1.00 0.00 H new ATOM 0 HG21 THR A 70 7.267 14.093 0.292 1.00 0.00 H new ATOM 0 HG22 THR A 70 7.070 13.500 -1.375 1.00 0.00 H new ATOM 0 HG23 THR A 70 5.977 14.753 -0.741 1.00 0.00 H new ATOM 1088 N PHE A 71 3.011 11.356 0.461 1.00 0.00 N ATOM 1089 CA PHE A 71 2.207 10.264 0.998 1.00 0.00 C ATOM 1090 C PHE A 71 1.468 9.533 -0.119 1.00 0.00 C ATOM 1091 O PHE A 71 1.506 8.306 -0.203 1.00 0.00 O ATOM 1092 CB PHE A 71 1.205 10.797 2.024 1.00 0.00 C ATOM 1093 CG PHE A 71 0.221 9.764 2.494 1.00 0.00 C ATOM 1094 CD1 PHE A 71 0.539 8.909 3.537 1.00 0.00 C ATOM 1095 CD2 PHE A 71 -1.022 9.648 1.893 1.00 0.00 C ATOM 1096 CE1 PHE A 71 -0.364 7.957 3.972 1.00 0.00 C ATOM 1097 CE2 PHE A 71 -1.929 8.698 2.324 1.00 0.00 C ATOM 1098 CZ PHE A 71 -1.599 7.851 3.364 1.00 0.00 C ATOM 0 H PHE A 71 2.938 12.229 0.983 1.00 0.00 H new ATOM 0 HA PHE A 71 2.878 9.559 1.488 1.00 0.00 H new ATOM 0 HB2 PHE A 71 1.750 11.186 2.884 1.00 0.00 H new ATOM 0 HB3 PHE A 71 0.660 11.634 1.587 1.00 0.00 H new ATOM 0 HD1 PHE A 71 1.504 8.987 4.016 1.00 0.00 H new ATOM 0 HD2 PHE A 71 -1.285 10.307 1.079 1.00 0.00 H new ATOM 0 HE1 PHE A 71 -0.104 7.297 4.786 1.00 0.00 H new ATOM 0 HE2 PHE A 71 -2.895 8.618 1.848 1.00 0.00 H new ATOM 0 HZ PHE A 71 -2.306 7.107 3.701 1.00 0.00 H new ATOM 1108 N ALA A 72 0.796 10.296 -0.974 1.00 0.00 N ATOM 1109 CA ALA A 72 0.049 9.723 -2.087 1.00 0.00 C ATOM 1110 C ALA A 72 0.979 9.004 -3.059 1.00 0.00 C ATOM 1111 O ALA A 72 0.717 7.870 -3.461 1.00 0.00 O ATOM 1112 CB ALA A 72 -0.738 10.806 -2.809 1.00 0.00 C ATOM 0 H ALA A 72 0.753 11.314 -0.917 1.00 0.00 H new ATOM 0 HA ALA A 72 -0.650 8.990 -1.684 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -1.291 10.363 -3.638 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -1.437 11.272 -2.115 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -0.051 11.560 -3.193 1.00 0.00 H new ATOM 1118 N LEU A 73 2.064 9.672 -3.435 1.00 0.00 N ATOM 1119 CA LEU A 73 3.033 9.097 -4.362 1.00 0.00 C ATOM 1120 C LEU A 73 3.366 7.658 -3.979 1.00 0.00 C ATOM 1121 O LEU A 73 3.313 6.755 -4.815 1.00 0.00 O ATOM 1122 CB LEU A 73 4.310 9.939 -4.383 1.00 0.00 C ATOM 1123 CG LEU A 73 4.212 11.289 -5.093 1.00 0.00 C ATOM 1124 CD1 LEU A 73 5.407 12.164 -4.746 1.00 0.00 C ATOM 1125 CD2 LEU A 73 4.112 11.094 -6.599 1.00 0.00 C ATOM 0 H LEU A 73 2.295 10.612 -3.113 1.00 0.00 H new ATOM 0 HA LEU A 73 2.589 9.095 -5.358 1.00 0.00 H new ATOM 0 HB2 LEU A 73 4.623 10.114 -3.354 1.00 0.00 H new ATOM 0 HB3 LEU A 73 5.098 9.356 -4.861 1.00 0.00 H new ATOM 0 HG LEU A 73 3.308 11.792 -4.750 1.00 0.00 H new ATOM 0 HD11 LEU A 73 5.319 13.121 -5.261 1.00 0.00 H new ATOM 0 HD12 LEU A 73 5.434 12.333 -3.669 1.00 0.00 H new ATOM 0 HD13 LEU A 73 6.325 11.667 -5.059 1.00 0.00 H new ATOM 0 HD21 LEU A 73 4.043 12.066 -7.088 1.00 0.00 H new ATOM 0 HD22 LEU A 73 4.998 10.569 -6.958 1.00 0.00 H new ATOM 0 HD23 LEU A 73 3.224 10.507 -6.832 1.00 0.00 H new ATOM 1137 N ASP A 74 3.706 7.452 -2.712 1.00 0.00 N ATOM 1138 CA ASP A 74 4.043 6.122 -2.217 1.00 0.00 C ATOM 1139 C ASP A 74 2.856 5.174 -2.354 1.00 0.00 C ATOM 1140 O ASP A 74 2.968 4.106 -2.955 1.00 0.00 O ATOM 1141 CB ASP A 74 4.487 6.196 -0.756 1.00 0.00 C ATOM 1142 CG ASP A 74 5.750 7.015 -0.575 1.00 0.00 C ATOM 1143 OD1 ASP A 74 5.902 8.034 -1.280 1.00 0.00 O ATOM 1144 OD2 ASP A 74 6.587 6.636 0.272 1.00 0.00 O ATOM 0 H ASP A 74 3.756 8.189 -2.008 1.00 0.00 H new ATOM 0 HA ASP A 74 4.865 5.735 -2.819 1.00 0.00 H new ATOM 0 HB2 ASP A 74 3.687 6.631 -0.158 1.00 0.00 H new ATOM 0 HB3 ASP A 74 4.655 5.187 -0.379 1.00 0.00 H new ATOM 1149 N VAL A 75 1.720 5.572 -1.791 1.00 0.00 N ATOM 1150 CA VAL A 75 0.512 4.758 -1.850 1.00 0.00 C ATOM 1151 C VAL A 75 0.240 4.279 -3.272 1.00 0.00 C ATOM 1152 O VAL A 75 0.247 3.079 -3.546 1.00 0.00 O ATOM 1153 CB VAL A 75 -0.715 5.536 -1.339 1.00 0.00 C ATOM 1154 CG1 VAL A 75 -1.963 4.668 -1.402 1.00 0.00 C ATOM 1155 CG2 VAL A 75 -0.476 6.037 0.077 1.00 0.00 C ATOM 0 H VAL A 75 1.611 6.453 -1.289 1.00 0.00 H new ATOM 0 HA VAL A 75 0.681 3.895 -1.205 1.00 0.00 H new ATOM 0 HB VAL A 75 -0.870 6.400 -1.985 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -2.819 5.235 -1.037 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -2.143 4.363 -2.433 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -1.822 3.783 -0.781 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -1.353 6.584 0.422 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -0.295 5.189 0.737 1.00 0.00 H new ATOM 0 HG23 VAL A 75 0.391 6.697 0.088 1.00 0.00 H new ATOM 1165 N ARG A 76 0.001 5.226 -4.173 1.00 0.00 N ATOM 1166 CA ARG A 76 -0.274 4.902 -5.568 1.00 0.00 C ATOM 1167 C ARG A 76 0.755 3.913 -6.109 1.00 0.00 C ATOM 1168 O ARG A 76 0.430 3.042 -6.917 1.00 0.00 O ATOM 1169 CB ARG A 76 -0.273 6.173 -6.419 1.00 0.00 C ATOM 1170 CG ARG A 76 -1.370 7.157 -6.046 1.00 0.00 C ATOM 1171 CD ARG A 76 -0.978 8.585 -6.390 1.00 0.00 C ATOM 1172 NE ARG A 76 -1.393 8.957 -7.740 1.00 0.00 N ATOM 1173 CZ ARG A 76 -0.675 8.700 -8.827 1.00 0.00 C ATOM 1174 NH1 ARG A 76 0.489 8.074 -8.724 1.00 0.00 N ATOM 1175 NH2 ARG A 76 -1.120 9.070 -10.021 1.00 0.00 N ATOM 0 H ARG A 76 -0.008 6.224 -3.962 1.00 0.00 H new ATOM 0 HA ARG A 76 -1.260 4.439 -5.620 1.00 0.00 H new ATOM 0 HB2 ARG A 76 0.694 6.666 -6.320 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -0.385 5.898 -7.468 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -2.289 6.895 -6.570 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -1.579 7.083 -4.979 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -1.430 9.268 -5.671 1.00 0.00 H new ATOM 0 HD3 ARG A 76 0.103 8.696 -6.300 1.00 0.00 H new ATOM 0 HE ARG A 76 -2.284 9.441 -7.854 1.00 0.00 H new ATOM 0 HH11 ARG A 76 0.835 7.788 -7.808 1.00 0.00 H new ATOM 0 HH12 ARG A 76 1.038 7.878 -9.561 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -2.015 9.553 -10.105 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -0.567 8.872 -10.855 1.00 0.00 H new ATOM 1189 N LEU A 77 1.997 4.055 -5.659 1.00 0.00 N ATOM 1190 CA LEU A 77 3.074 3.175 -6.098 1.00 0.00 C ATOM 1191 C LEU A 77 2.902 1.773 -5.520 1.00 0.00 C ATOM 1192 O LEU A 77 3.157 0.776 -6.196 1.00 0.00 O ATOM 1193 CB LEU A 77 4.429 3.748 -5.680 1.00 0.00 C ATOM 1194 CG LEU A 77 5.645 2.860 -5.949 1.00 0.00 C ATOM 1195 CD1 LEU A 77 6.129 3.036 -7.380 1.00 0.00 C ATOM 1196 CD2 LEU A 77 6.762 3.174 -4.964 1.00 0.00 C ATOM 0 H LEU A 77 2.283 4.771 -4.991 1.00 0.00 H new ATOM 0 HA LEU A 77 3.034 3.107 -7.185 1.00 0.00 H new ATOM 0 HB2 LEU A 77 4.575 4.696 -6.197 1.00 0.00 H new ATOM 0 HB3 LEU A 77 4.394 3.969 -4.613 1.00 0.00 H new ATOM 0 HG LEU A 77 5.349 1.820 -5.813 1.00 0.00 H new ATOM 0 HD11 LEU A 77 6.995 2.396 -7.553 1.00 0.00 H new ATOM 0 HD12 LEU A 77 5.331 2.761 -8.070 1.00 0.00 H new ATOM 0 HD13 LEU A 77 6.408 4.077 -7.544 1.00 0.00 H new ATOM 0 HD21 LEU A 77 7.619 2.533 -5.170 1.00 0.00 H new ATOM 0 HD22 LEU A 77 7.056 4.218 -5.068 1.00 0.00 H new ATOM 0 HD23 LEU A 77 6.411 2.996 -3.947 1.00 0.00 H new ATOM 1208 N VAL A 78 2.467 1.705 -4.266 1.00 0.00 N ATOM 1209 CA VAL A 78 2.257 0.426 -3.599 1.00 0.00 C ATOM 1210 C VAL A 78 1.425 -0.515 -4.462 1.00 0.00 C ATOM 1211 O VAL A 78 1.683 -1.718 -4.514 1.00 0.00 O ATOM 1212 CB VAL A 78 1.557 0.611 -2.239 1.00 0.00 C ATOM 1213 CG1 VAL A 78 1.169 -0.737 -1.650 1.00 0.00 C ATOM 1214 CG2 VAL A 78 2.450 1.383 -1.281 1.00 0.00 C ATOM 0 H VAL A 78 2.253 2.520 -3.692 1.00 0.00 H new ATOM 0 HA VAL A 78 3.242 -0.011 -3.437 1.00 0.00 H new ATOM 0 HB VAL A 78 0.646 1.188 -2.395 1.00 0.00 H new ATOM 0 HG11 VAL A 78 0.676 -0.586 -0.690 1.00 0.00 H new ATOM 0 HG12 VAL A 78 0.489 -1.249 -2.331 1.00 0.00 H new ATOM 0 HG13 VAL A 78 2.064 -1.343 -1.507 1.00 0.00 H new ATOM 0 HG21 VAL A 78 1.940 1.504 -0.326 1.00 0.00 H new ATOM 0 HG22 VAL A 78 3.380 0.835 -1.129 1.00 0.00 H new ATOM 0 HG23 VAL A 78 2.672 2.364 -1.701 1.00 0.00 H new ATOM 1224 N PHE A 79 0.426 0.040 -5.140 1.00 0.00 N ATOM 1225 CA PHE A 79 -0.445 -0.750 -6.003 1.00 0.00 C ATOM 1226 C PHE A 79 0.192 -0.960 -7.374 1.00 0.00 C ATOM 1227 O PHE A 79 0.247 -2.081 -7.880 1.00 0.00 O ATOM 1228 CB PHE A 79 -1.803 -0.063 -6.159 1.00 0.00 C ATOM 1229 CG PHE A 79 -2.404 0.379 -4.855 1.00 0.00 C ATOM 1230 CD1 PHE A 79 -2.403 -0.464 -3.755 1.00 0.00 C ATOM 1231 CD2 PHE A 79 -2.970 1.637 -4.729 1.00 0.00 C ATOM 1232 CE1 PHE A 79 -2.956 -0.060 -2.555 1.00 0.00 C ATOM 1233 CE2 PHE A 79 -3.525 2.047 -3.531 1.00 0.00 C ATOM 1234 CZ PHE A 79 -3.517 1.197 -2.442 1.00 0.00 C ATOM 0 H PHE A 79 0.199 1.034 -5.109 1.00 0.00 H new ATOM 0 HA PHE A 79 -0.590 -1.724 -5.536 1.00 0.00 H new ATOM 0 HB2 PHE A 79 -1.690 0.804 -6.810 1.00 0.00 H new ATOM 0 HB3 PHE A 79 -2.492 -0.747 -6.655 1.00 0.00 H new ATOM 0 HD1 PHE A 79 -1.965 -1.448 -3.837 1.00 0.00 H new ATOM 0 HD2 PHE A 79 -2.978 2.306 -5.577 1.00 0.00 H new ATOM 0 HE1 PHE A 79 -2.950 -0.727 -1.706 1.00 0.00 H new ATOM 0 HE2 PHE A 79 -3.964 3.030 -3.447 1.00 0.00 H new ATOM 0 HZ PHE A 79 -3.948 1.515 -1.504 1.00 0.00 H new ATOM 1244 N ASP A 80 0.671 0.127 -7.969 1.00 0.00 N ATOM 1245 CA ASP A 80 1.305 0.064 -9.281 1.00 0.00 C ATOM 1246 C ASP A 80 2.374 -1.024 -9.316 1.00 0.00 C ATOM 1247 O ASP A 80 2.428 -1.825 -10.248 1.00 0.00 O ATOM 1248 CB ASP A 80 1.924 1.416 -9.638 1.00 0.00 C ATOM 1249 CG ASP A 80 2.988 1.301 -10.711 1.00 0.00 C ATOM 1250 OD1 ASP A 80 4.128 0.914 -10.378 1.00 0.00 O ATOM 1251 OD2 ASP A 80 2.680 1.596 -11.885 1.00 0.00 O ATOM 0 H ASP A 80 0.632 1.062 -7.564 1.00 0.00 H new ATOM 0 HA ASP A 80 0.538 -0.181 -10.016 1.00 0.00 H new ATOM 0 HB2 ASP A 80 1.140 2.092 -9.979 1.00 0.00 H new ATOM 0 HB3 ASP A 80 2.361 1.860 -8.743 1.00 0.00 H new ATOM 1256 N ASN A 81 3.223 -1.045 -8.294 1.00 0.00 N ATOM 1257 CA ASN A 81 4.292 -2.033 -8.209 1.00 0.00 C ATOM 1258 C ASN A 81 3.725 -3.449 -8.203 1.00 0.00 C ATOM 1259 O ASN A 81 4.258 -4.346 -8.859 1.00 0.00 O ATOM 1260 CB ASN A 81 5.130 -1.803 -6.949 1.00 0.00 C ATOM 1261 CG ASN A 81 6.052 -0.605 -7.079 1.00 0.00 C ATOM 1262 OD1 ASN A 81 6.172 -0.014 -8.152 1.00 0.00 O ATOM 1263 ND2 ASN A 81 6.708 -0.243 -5.983 1.00 0.00 N ATOM 0 H ASN A 81 3.192 -0.389 -7.513 1.00 0.00 H new ATOM 0 HA ASN A 81 4.928 -1.918 -9.087 1.00 0.00 H new ATOM 0 HB2 ASN A 81 4.467 -1.657 -6.096 1.00 0.00 H new ATOM 0 HB3 ASN A 81 5.723 -2.694 -6.743 1.00 0.00 H new ATOM 0 HD21 ASN A 81 7.343 0.555 -6.009 1.00 0.00 H new ATOM 0 HD22 ASN A 81 6.577 -0.763 -5.115 1.00 0.00 H new ATOM 1270 N CYS A 82 2.641 -3.644 -7.460 1.00 0.00 N ATOM 1271 CA CYS A 82 2.001 -4.951 -7.369 1.00 0.00 C ATOM 1272 C CYS A 82 1.426 -5.370 -8.718 1.00 0.00 C ATOM 1273 O CYS A 82 1.837 -6.378 -9.292 1.00 0.00 O ATOM 1274 CB CYS A 82 0.893 -4.927 -6.315 1.00 0.00 C ATOM 1275 SG CYS A 82 -0.279 -6.297 -6.444 1.00 0.00 S ATOM 0 H CYS A 82 2.187 -2.913 -6.912 1.00 0.00 H new ATOM 0 HA CYS A 82 2.757 -5.679 -7.075 1.00 0.00 H new ATOM 0 HB2 CYS A 82 1.348 -4.944 -5.325 1.00 0.00 H new ATOM 0 HB3 CYS A 82 0.347 -3.987 -6.399 1.00 0.00 H new ATOM 0 HG CYS A 82 -1.077 -6.284 -5.418 1.00 0.00 H new ATOM 1281 N GLU A 83 0.473 -4.590 -9.218 1.00 0.00 N ATOM 1282 CA GLU A 83 -0.160 -4.883 -10.499 1.00 0.00 C ATOM 1283 C GLU A 83 0.889 -5.128 -11.580 1.00 0.00 C ATOM 1284 O GLU A 83 0.621 -5.794 -12.581 1.00 0.00 O ATOM 1285 CB GLU A 83 -1.077 -3.731 -10.915 1.00 0.00 C ATOM 1286 CG GLU A 83 -0.329 -2.510 -11.423 1.00 0.00 C ATOM 1287 CD GLU A 83 -1.259 -1.426 -11.933 1.00 0.00 C ATOM 1288 OE1 GLU A 83 -2.361 -1.276 -11.365 1.00 0.00 O ATOM 1289 OE2 GLU A 83 -0.886 -0.729 -12.898 1.00 0.00 O ATOM 0 H GLU A 83 0.122 -3.751 -8.756 1.00 0.00 H new ATOM 0 HA GLU A 83 -0.756 -5.788 -10.383 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -1.755 -4.081 -11.693 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -1.692 -3.441 -10.063 1.00 0.00 H new ATOM 0 HG2 GLU A 83 0.288 -2.106 -10.620 1.00 0.00 H new ATOM 0 HG3 GLU A 83 0.347 -2.810 -12.224 1.00 0.00 H new ATOM 1296 N THR A 84 2.084 -4.586 -11.371 1.00 0.00 N ATOM 1297 CA THR A 84 3.173 -4.744 -12.326 1.00 0.00 C ATOM 1298 C THR A 84 3.805 -6.127 -12.217 1.00 0.00 C ATOM 1299 O THR A 84 3.737 -6.927 -13.150 1.00 0.00 O ATOM 1300 CB THR A 84 4.263 -3.676 -12.118 1.00 0.00 C ATOM 1301 OG1 THR A 84 3.754 -2.382 -12.460 1.00 0.00 O ATOM 1302 CG2 THR A 84 5.490 -3.983 -12.962 1.00 0.00 C ATOM 0 H THR A 84 2.322 -4.033 -10.548 1.00 0.00 H new ATOM 0 HA THR A 84 2.741 -4.623 -13.319 1.00 0.00 H new ATOM 0 HB THR A 84 4.553 -3.685 -11.067 1.00 0.00 H new ATOM 0 HG1 THR A 84 3.388 -1.952 -11.659 1.00 0.00 H new ATOM 0 HG21 THR A 84 6.246 -3.215 -12.798 1.00 0.00 H new ATOM 0 HG22 THR A 84 5.893 -4.955 -12.678 1.00 0.00 H new ATOM 0 HG23 THR A 84 5.212 -3.999 -14.016 1.00 0.00 H new ATOM 1310 N PHE A 85 4.419 -6.402 -11.071 1.00 0.00 N ATOM 1311 CA PHE A 85 5.064 -7.690 -10.840 1.00 0.00 C ATOM 1312 C PHE A 85 4.045 -8.825 -10.888 1.00 0.00 C ATOM 1313 O PHE A 85 4.161 -9.743 -11.699 1.00 0.00 O ATOM 1314 CB PHE A 85 5.781 -7.690 -9.488 1.00 0.00 C ATOM 1315 CG PHE A 85 6.837 -8.751 -9.369 1.00 0.00 C ATOM 1316 CD1 PHE A 85 8.132 -8.509 -9.799 1.00 0.00 C ATOM 1317 CD2 PHE A 85 6.535 -9.990 -8.828 1.00 0.00 C ATOM 1318 CE1 PHE A 85 9.106 -9.484 -9.691 1.00 0.00 C ATOM 1319 CE2 PHE A 85 7.505 -10.968 -8.717 1.00 0.00 C ATOM 1320 CZ PHE A 85 8.792 -10.715 -9.150 1.00 0.00 C ATOM 0 H PHE A 85 4.484 -5.751 -10.288 1.00 0.00 H new ATOM 0 HA PHE A 85 5.796 -7.849 -11.632 1.00 0.00 H new ATOM 0 HB2 PHE A 85 6.239 -6.714 -9.329 1.00 0.00 H new ATOM 0 HB3 PHE A 85 5.046 -7.830 -8.696 1.00 0.00 H new ATOM 0 HD1 PHE A 85 8.383 -7.548 -10.223 1.00 0.00 H new ATOM 0 HD2 PHE A 85 5.530 -10.194 -8.489 1.00 0.00 H new ATOM 0 HE1 PHE A 85 10.112 -9.283 -10.029 1.00 0.00 H new ATOM 0 HE2 PHE A 85 7.257 -11.929 -8.292 1.00 0.00 H new ATOM 0 HZ PHE A 85 9.551 -11.478 -9.066 1.00 0.00 H new ATOM 1330 N ASN A 86 3.047 -8.754 -10.013 1.00 0.00 N ATOM 1331 CA ASN A 86 2.008 -9.775 -9.954 1.00 0.00 C ATOM 1332 C ASN A 86 1.219 -9.824 -11.259 1.00 0.00 C ATOM 1333 O ASN A 86 1.475 -9.048 -12.180 1.00 0.00 O ATOM 1334 CB ASN A 86 1.063 -9.504 -8.783 1.00 0.00 C ATOM 1335 CG ASN A 86 1.750 -9.650 -7.439 1.00 0.00 C ATOM 1336 OD1 ASN A 86 1.807 -10.742 -6.874 1.00 0.00 O ATOM 1337 ND2 ASN A 86 2.275 -8.546 -6.920 1.00 0.00 N ATOM 0 H ASN A 86 2.936 -8.000 -9.335 1.00 0.00 H new ATOM 0 HA ASN A 86 2.491 -10.741 -9.806 1.00 0.00 H new ATOM 0 HB2 ASN A 86 0.657 -8.496 -8.873 1.00 0.00 H new ATOM 0 HB3 ASN A 86 0.220 -10.193 -8.833 1.00 0.00 H new ATOM 0 HD21 ASN A 86 2.749 -8.582 -6.018 1.00 0.00 H new ATOM 0 HD22 ASN A 86 2.204 -7.662 -7.424 1.00 0.00 H new ATOM 1383 N SER A 90 -2.965 -14.047 -10.656 1.00 0.00 N ATOM 1384 CA SER A 90 -2.500 -14.280 -9.294 1.00 0.00 C ATOM 1385 C SER A 90 -3.395 -13.569 -8.285 1.00 0.00 C ATOM 1386 O SER A 90 -3.929 -12.494 -8.561 1.00 0.00 O ATOM 1387 CB SER A 90 -1.055 -13.802 -9.137 1.00 0.00 C ATOM 1388 OG SER A 90 -1.003 -12.404 -8.907 1.00 0.00 O ATOM 0 HA SER A 90 -2.544 -15.352 -9.100 1.00 0.00 H new ATOM 0 HB2 SER A 90 -0.583 -14.328 -8.308 1.00 0.00 H new ATOM 0 HB3 SER A 90 -0.488 -14.048 -10.035 1.00 0.00 H new ATOM 0 HG SER A 90 -0.318 -12.208 -8.234 1.00 0.00 H new ATOM 1394 N ASP A 91 -3.555 -14.176 -7.114 1.00 0.00 N ATOM 1395 CA ASP A 91 -4.385 -13.602 -6.062 1.00 0.00 C ATOM 1396 C ASP A 91 -4.043 -12.131 -5.842 1.00 0.00 C ATOM 1397 O ASP A 91 -4.885 -11.253 -6.032 1.00 0.00 O ATOM 1398 CB ASP A 91 -4.205 -14.381 -4.758 1.00 0.00 C ATOM 1399 CG ASP A 91 -4.803 -15.772 -4.828 1.00 0.00 C ATOM 1400 OD1 ASP A 91 -4.517 -16.493 -5.807 1.00 0.00 O ATOM 1401 OD2 ASP A 91 -5.556 -16.141 -3.903 1.00 0.00 O ATOM 0 H ASP A 91 -3.120 -15.066 -6.870 1.00 0.00 H new ATOM 0 HA ASP A 91 -5.426 -13.672 -6.376 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -3.142 -14.457 -4.527 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -4.670 -13.829 -3.941 1.00 0.00 H new ATOM 1406 N ILE A 92 -2.804 -11.871 -5.439 1.00 0.00 N ATOM 1407 CA ILE A 92 -2.352 -10.508 -5.193 1.00 0.00 C ATOM 1408 C ILE A 92 -2.642 -9.608 -6.390 1.00 0.00 C ATOM 1409 O ILE A 92 -3.189 -8.516 -6.241 1.00 0.00 O ATOM 1410 CB ILE A 92 -0.844 -10.462 -4.885 1.00 0.00 C ATOM 1411 CG1 ILE A 92 -0.560 -11.099 -3.523 1.00 0.00 C ATOM 1412 CG2 ILE A 92 -0.339 -9.027 -4.919 1.00 0.00 C ATOM 1413 CD1 ILE A 92 0.886 -10.990 -3.094 1.00 0.00 C ATOM 0 H ILE A 92 -2.096 -12.586 -5.276 1.00 0.00 H new ATOM 0 HA ILE A 92 -2.903 -10.145 -4.326 1.00 0.00 H new ATOM 0 HB ILE A 92 -0.315 -11.031 -5.650 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -1.190 -10.625 -2.771 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -0.842 -12.151 -3.557 1.00 0.00 H new ATOM 0 HG21 ILE A 92 0.729 -9.012 -4.699 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -0.512 -8.604 -5.908 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -0.871 -8.436 -4.174 1.00 0.00 H new ATOM 0 HD11 ILE A 92 1.013 -11.463 -2.120 1.00 0.00 H new ATOM 0 HD12 ILE A 92 1.521 -11.489 -3.826 1.00 0.00 H new ATOM 0 HD13 ILE A 92 1.167 -9.939 -3.027 1.00 0.00 H new ATOM 1425 N GLY A 93 -2.273 -10.076 -7.579 1.00 0.00 N ATOM 1426 CA GLY A 93 -2.503 -9.302 -8.785 1.00 0.00 C ATOM 1427 C GLY A 93 -3.838 -8.585 -8.767 1.00 0.00 C ATOM 1428 O GLY A 93 -3.890 -7.355 -8.785 1.00 0.00 O ATOM 0 H GLY A 93 -1.819 -10.977 -7.728 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -1.703 -8.571 -8.902 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -2.460 -9.963 -9.651 1.00 0.00 H new ATOM 1432 N ARG A 94 -4.921 -9.355 -8.734 1.00 0.00 N ATOM 1433 CA ARG A 94 -6.263 -8.785 -8.717 1.00 0.00 C ATOM 1434 C ARG A 94 -6.393 -7.732 -7.621 1.00 0.00 C ATOM 1435 O ARG A 94 -6.919 -6.644 -7.851 1.00 0.00 O ATOM 1436 CB ARG A 94 -7.305 -9.886 -8.508 1.00 0.00 C ATOM 1437 CG ARG A 94 -7.370 -10.888 -9.648 1.00 0.00 C ATOM 1438 CD ARG A 94 -8.697 -11.630 -9.664 1.00 0.00 C ATOM 1439 NE ARG A 94 -9.698 -10.944 -10.476 1.00 0.00 N ATOM 1440 CZ ARG A 94 -11.007 -11.107 -10.321 1.00 0.00 C ATOM 1441 NH1 ARG A 94 -11.471 -11.928 -9.389 1.00 0.00 N ATOM 1442 NH2 ARG A 94 -11.856 -10.447 -11.098 1.00 0.00 N ATOM 0 H ARG A 94 -4.895 -10.375 -8.719 1.00 0.00 H new ATOM 0 HA ARG A 94 -6.439 -8.305 -9.680 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -7.080 -10.416 -7.582 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -8.286 -9.427 -8.383 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -7.230 -10.370 -10.597 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -6.553 -11.603 -9.552 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -8.544 -12.637 -10.051 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -9.067 -11.733 -8.644 1.00 0.00 H new ATOM 0 HE ARG A 94 -9.374 -10.305 -11.202 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -10.822 -12.437 -8.788 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -12.477 -12.051 -9.273 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -11.504 -9.813 -11.816 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -12.861 -10.573 -10.978 1.00 0.00 H new ATOM 1456 N ALA A 95 -5.911 -8.064 -6.428 1.00 0.00 N ATOM 1457 CA ALA A 95 -5.972 -7.147 -5.296 1.00 0.00 C ATOM 1458 C ALA A 95 -5.404 -5.781 -5.666 1.00 0.00 C ATOM 1459 O ALA A 95 -5.945 -4.747 -5.278 1.00 0.00 O ATOM 1460 CB ALA A 95 -5.224 -7.728 -4.105 1.00 0.00 C ATOM 0 H ALA A 95 -5.474 -8.962 -6.220 1.00 0.00 H new ATOM 0 HA ALA A 95 -7.019 -7.014 -5.023 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -5.278 -7.033 -3.267 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -5.677 -8.677 -3.819 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -4.181 -7.891 -4.375 1.00 0.00 H new ATOM 1466 N GLY A 96 -4.307 -5.785 -6.418 1.00 0.00 N ATOM 1467 CA GLY A 96 -3.683 -4.541 -6.826 1.00 0.00 C ATOM 1468 C GLY A 96 -4.644 -3.621 -7.552 1.00 0.00 C ATOM 1469 O GLY A 96 -4.586 -2.401 -7.396 1.00 0.00 O ATOM 0 H GLY A 96 -3.840 -6.628 -6.752 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -3.290 -4.030 -5.947 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -2.834 -4.759 -7.474 1.00 0.00 H new ATOM 1473 N HIS A 97 -5.531 -4.206 -8.351 1.00 0.00 N ATOM 1474 CA HIS A 97 -6.509 -3.430 -9.106 1.00 0.00 C ATOM 1475 C HIS A 97 -7.583 -2.864 -8.182 1.00 0.00 C ATOM 1476 O HIS A 97 -7.814 -1.656 -8.151 1.00 0.00 O ATOM 1477 CB HIS A 97 -7.155 -4.298 -10.187 1.00 0.00 C ATOM 1478 CG HIS A 97 -6.264 -4.550 -11.364 1.00 0.00 C ATOM 1479 ND1 HIS A 97 -5.726 -3.538 -12.131 1.00 0.00 N ATOM 1480 CD2 HIS A 97 -5.816 -5.708 -11.904 1.00 0.00 C ATOM 1481 CE1 HIS A 97 -4.988 -4.062 -13.093 1.00 0.00 C ATOM 1482 NE2 HIS A 97 -5.025 -5.378 -12.976 1.00 0.00 N ATOM 0 H HIS A 97 -5.593 -5.214 -8.492 1.00 0.00 H new ATOM 0 HA HIS A 97 -5.988 -2.599 -9.581 1.00 0.00 H new ATOM 0 HB2 HIS A 97 -7.444 -5.254 -9.749 1.00 0.00 H new ATOM 0 HB3 HIS A 97 -8.070 -3.815 -10.531 1.00 0.00 H new ATOM 0 HD2 HIS A 97 -6.039 -6.706 -11.556 1.00 0.00 H new ATOM 0 HE1 HIS A 97 -4.447 -3.509 -13.847 1.00 0.00 H new ATOM 0 HE2 HIS A 97 -4.544 -6.041 -13.584 1.00 0.00 H new ATOM 1490 N ASN A 98 -8.236 -3.745 -7.432 1.00 0.00 N ATOM 1491 CA ASN A 98 -9.287 -3.333 -6.508 1.00 0.00 C ATOM 1492 C ASN A 98 -8.809 -2.193 -5.614 1.00 0.00 C ATOM 1493 O ASN A 98 -9.531 -1.222 -5.390 1.00 0.00 O ATOM 1494 CB ASN A 98 -9.732 -4.517 -5.648 1.00 0.00 C ATOM 1495 CG ASN A 98 -10.807 -5.349 -6.321 1.00 0.00 C ATOM 1496 OD1 ASN A 98 -11.403 -4.928 -7.313 1.00 0.00 O ATOM 1497 ND2 ASN A 98 -11.060 -6.536 -5.783 1.00 0.00 N ATOM 0 H ASN A 98 -8.056 -4.749 -7.446 1.00 0.00 H new ATOM 0 HA ASN A 98 -10.135 -2.980 -7.095 1.00 0.00 H new ATOM 0 HB2 ASN A 98 -8.871 -5.149 -5.430 1.00 0.00 H new ATOM 0 HB3 ASN A 98 -10.106 -4.148 -4.693 1.00 0.00 H new ATOM 0 HD21 ASN A 98 -11.773 -7.140 -6.192 1.00 0.00 H new ATOM 0 HD22 ASN A 98 -10.541 -6.844 -4.961 1.00 0.00 H new ATOM 1504 N MET A 99 -7.586 -2.317 -5.108 1.00 0.00 N ATOM 1505 CA MET A 99 -7.011 -1.296 -4.241 1.00 0.00 C ATOM 1506 C MET A 99 -6.988 0.060 -4.939 1.00 0.00 C ATOM 1507 O MET A 99 -7.575 1.028 -4.454 1.00 0.00 O ATOM 1508 CB MET A 99 -5.593 -1.691 -3.823 1.00 0.00 C ATOM 1509 CG MET A 99 -5.542 -2.497 -2.534 1.00 0.00 C ATOM 1510 SD MET A 99 -5.359 -1.458 -1.072 1.00 0.00 S ATOM 1511 CE MET A 99 -7.074 -1.144 -0.663 1.00 0.00 C ATOM 0 H MET A 99 -6.975 -3.114 -5.284 1.00 0.00 H new ATOM 0 HA MET A 99 -7.636 -1.217 -3.351 1.00 0.00 H new ATOM 0 HB2 MET A 99 -5.135 -2.272 -4.624 1.00 0.00 H new ATOM 0 HB3 MET A 99 -4.994 -0.788 -3.702 1.00 0.00 H new ATOM 0 HG2 MET A 99 -6.453 -3.088 -2.443 1.00 0.00 H new ATOM 0 HG3 MET A 99 -4.710 -3.200 -2.582 1.00 0.00 H new ATOM 0 HE1 MET A 99 -7.193 -1.130 0.420 1.00 0.00 H new ATOM 0 HE2 MET A 99 -7.375 -0.180 -1.074 1.00 0.00 H new ATOM 0 HE3 MET A 99 -7.699 -1.930 -1.086 1.00 0.00 H new ATOM 1521 N ARG A 100 -6.307 0.123 -6.078 1.00 0.00 N ATOM 1522 CA ARG A 100 -6.207 1.361 -6.841 1.00 0.00 C ATOM 1523 C ARG A 100 -7.519 2.139 -6.789 1.00 0.00 C ATOM 1524 O ARG A 100 -7.554 3.290 -6.353 1.00 0.00 O ATOM 1525 CB ARG A 100 -5.837 1.061 -8.295 1.00 0.00 C ATOM 1526 CG ARG A 100 -5.858 2.286 -9.194 1.00 0.00 C ATOM 1527 CD ARG A 100 -5.634 1.912 -10.651 1.00 0.00 C ATOM 1528 NE ARG A 100 -4.215 1.857 -10.990 1.00 0.00 N ATOM 1529 CZ ARG A 100 -3.492 2.927 -11.303 1.00 0.00 C ATOM 1530 NH1 ARG A 100 -4.053 4.129 -11.319 1.00 0.00 N ATOM 1531 NH2 ARG A 100 -2.206 2.797 -11.599 1.00 0.00 N ATOM 0 H ARG A 100 -5.816 -0.669 -6.493 1.00 0.00 H new ATOM 0 HA ARG A 100 -5.424 1.972 -6.393 1.00 0.00 H new ATOM 0 HB2 ARG A 100 -4.842 0.617 -8.324 1.00 0.00 H new ATOM 0 HB3 ARG A 100 -6.529 0.318 -8.691 1.00 0.00 H new ATOM 0 HG2 ARG A 100 -6.815 2.797 -9.092 1.00 0.00 H new ATOM 0 HG3 ARG A 100 -5.086 2.986 -8.874 1.00 0.00 H new ATOM 0 HD2 ARG A 100 -6.092 0.943 -10.851 1.00 0.00 H new ATOM 0 HD3 ARG A 100 -6.132 2.639 -11.293 1.00 0.00 H new ATOM 0 HE ARG A 100 -3.753 0.947 -10.986 1.00 0.00 H new ATOM 0 HH11 ARG A 100 -5.042 4.233 -11.091 1.00 0.00 H new ATOM 0 HH12 ARG A 100 -3.496 4.949 -11.560 1.00 0.00 H new ATOM 0 HH21 ARG A 100 -1.771 1.875 -11.587 1.00 0.00 H new ATOM 0 HH22 ARG A 100 -1.652 3.619 -11.839 1.00 0.00 H new ATOM 1545 N LYS A 101 -8.596 1.504 -7.238 1.00 0.00 N ATOM 1546 CA LYS A 101 -9.910 2.134 -7.243 1.00 0.00 C ATOM 1547 C LYS A 101 -10.267 2.659 -5.856 1.00 0.00 C ATOM 1548 O LYS A 101 -10.683 3.808 -5.705 1.00 0.00 O ATOM 1549 CB LYS A 101 -10.974 1.139 -7.713 1.00 0.00 C ATOM 1550 CG LYS A 101 -11.020 0.963 -9.221 1.00 0.00 C ATOM 1551 CD LYS A 101 -9.727 0.367 -9.752 1.00 0.00 C ATOM 1552 CE LYS A 101 -9.954 -0.383 -11.055 1.00 0.00 C ATOM 1553 NZ LYS A 101 -9.928 0.529 -12.232 1.00 0.00 N ATOM 0 H LYS A 101 -8.584 0.552 -7.604 1.00 0.00 H new ATOM 0 HA LYS A 101 -9.879 2.976 -7.934 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -10.785 0.171 -7.249 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -11.951 1.474 -7.365 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -11.856 0.317 -9.488 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -11.199 1.928 -9.696 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -8.997 1.161 -9.910 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -9.305 -0.310 -9.010 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -9.187 -1.148 -11.172 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -10.914 -0.897 -11.015 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -10.087 -0.021 -13.101 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -10.676 1.244 -12.133 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -9.003 1.001 -12.285 1.00 0.00 H new ATOM 1567 N TYR A 102 -10.100 1.812 -4.847 1.00 0.00 N ATOM 1568 CA TYR A 102 -10.406 2.191 -3.473 1.00 0.00 C ATOM 1569 C TYR A 102 -9.719 3.502 -3.104 1.00 0.00 C ATOM 1570 O TYR A 102 -10.377 4.501 -2.811 1.00 0.00 O ATOM 1571 CB TYR A 102 -9.972 1.086 -2.508 1.00 0.00 C ATOM 1572 CG TYR A 102 -10.561 1.225 -1.123 1.00 0.00 C ATOM 1573 CD1 TYR A 102 -10.212 2.290 -0.302 1.00 0.00 C ATOM 1574 CD2 TYR A 102 -11.468 0.292 -0.636 1.00 0.00 C ATOM 1575 CE1 TYR A 102 -10.747 2.420 0.965 1.00 0.00 C ATOM 1576 CE2 TYR A 102 -12.009 0.415 0.629 1.00 0.00 C ATOM 1577 CZ TYR A 102 -11.646 1.481 1.426 1.00 0.00 C ATOM 1578 OH TYR A 102 -12.182 1.608 2.687 1.00 0.00 O ATOM 0 H TYR A 102 -9.754 0.858 -4.955 1.00 0.00 H new ATOM 0 HA TYR A 102 -11.484 2.331 -3.393 1.00 0.00 H new ATOM 0 HB2 TYR A 102 -10.262 0.120 -2.921 1.00 0.00 H new ATOM 0 HB3 TYR A 102 -8.885 1.087 -2.433 1.00 0.00 H new ATOM 0 HD1 TYR A 102 -9.511 3.029 -0.660 1.00 0.00 H new ATOM 0 HD2 TYR A 102 -11.755 -0.544 -1.257 1.00 0.00 H new ATOM 0 HE1 TYR A 102 -10.463 3.253 1.591 1.00 0.00 H new ATOM 0 HE2 TYR A 102 -12.713 -0.320 0.992 1.00 0.00 H new ATOM 0 HH TYR A 102 -12.798 0.865 2.857 1.00 0.00 H new ATOM 1588 N PHE A 103 -8.390 3.491 -3.120 1.00 0.00 N ATOM 1589 CA PHE A 103 -7.612 4.679 -2.787 1.00 0.00 C ATOM 1590 C PHE A 103 -8.209 5.921 -3.441 1.00 0.00 C ATOM 1591 O PHE A 103 -8.236 6.997 -2.844 1.00 0.00 O ATOM 1592 CB PHE A 103 -6.158 4.503 -3.231 1.00 0.00 C ATOM 1593 CG PHE A 103 -5.292 5.693 -2.932 1.00 0.00 C ATOM 1594 CD1 PHE A 103 -5.094 6.111 -1.626 1.00 0.00 C ATOM 1595 CD2 PHE A 103 -4.676 6.393 -3.957 1.00 0.00 C ATOM 1596 CE1 PHE A 103 -4.297 7.206 -1.347 1.00 0.00 C ATOM 1597 CE2 PHE A 103 -3.878 7.488 -3.684 1.00 0.00 C ATOM 1598 CZ PHE A 103 -3.689 7.895 -2.378 1.00 0.00 C ATOM 0 H PHE A 103 -7.830 2.673 -3.360 1.00 0.00 H new ATOM 0 HA PHE A 103 -7.641 4.811 -1.705 1.00 0.00 H new ATOM 0 HB2 PHE A 103 -5.739 3.626 -2.738 1.00 0.00 H new ATOM 0 HB3 PHE A 103 -6.135 4.307 -4.303 1.00 0.00 H new ATOM 0 HD1 PHE A 103 -5.568 5.575 -0.817 1.00 0.00 H new ATOM 0 HD2 PHE A 103 -4.821 6.080 -4.980 1.00 0.00 H new ATOM 0 HE1 PHE A 103 -4.150 7.522 -0.325 1.00 0.00 H new ATOM 0 HE2 PHE A 103 -3.403 8.025 -4.492 1.00 0.00 H new ATOM 0 HZ PHE A 103 -3.067 8.751 -2.163 1.00 0.00 H new ATOM 1608 N GLU A 104 -8.685 5.764 -4.673 1.00 0.00 N ATOM 1609 CA GLU A 104 -9.280 6.873 -5.409 1.00 0.00 C ATOM 1610 C GLU A 104 -10.637 7.249 -4.823 1.00 0.00 C ATOM 1611 O GLU A 104 -10.871 8.401 -4.455 1.00 0.00 O ATOM 1612 CB GLU A 104 -9.433 6.510 -6.887 1.00 0.00 C ATOM 1613 CG GLU A 104 -8.113 6.441 -7.637 1.00 0.00 C ATOM 1614 CD GLU A 104 -8.293 6.505 -9.141 1.00 0.00 C ATOM 1615 OE1 GLU A 104 -9.349 6.054 -9.633 1.00 0.00 O ATOM 1616 OE2 GLU A 104 -7.378 7.007 -9.827 1.00 0.00 O ATOM 0 H GLU A 104 -8.670 4.880 -5.182 1.00 0.00 H new ATOM 0 HA GLU A 104 -8.615 7.732 -5.321 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -9.937 5.546 -6.965 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -10.077 7.246 -7.368 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -7.474 7.263 -7.316 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -7.599 5.516 -7.375 1.00 0.00 H new ATOM 1623 N LYS A 105 -11.531 6.269 -4.739 1.00 0.00 N ATOM 1624 CA LYS A 105 -12.866 6.494 -4.198 1.00 0.00 C ATOM 1625 C LYS A 105 -12.791 7.103 -2.801 1.00 0.00 C ATOM 1626 O LYS A 105 -13.660 7.878 -2.403 1.00 0.00 O ATOM 1627 CB LYS A 105 -13.648 5.180 -4.151 1.00 0.00 C ATOM 1628 CG LYS A 105 -15.154 5.366 -4.219 1.00 0.00 C ATOM 1629 CD LYS A 105 -15.590 5.895 -5.575 1.00 0.00 C ATOM 1630 CE LYS A 105 -17.050 5.575 -5.856 1.00 0.00 C ATOM 1631 NZ LYS A 105 -17.671 6.572 -6.771 1.00 0.00 N ATOM 0 H LYS A 105 -11.354 5.310 -5.039 1.00 0.00 H new ATOM 0 HA LYS A 105 -13.383 7.194 -4.854 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -13.331 4.548 -4.980 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -13.397 4.650 -3.232 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -15.648 4.415 -4.023 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -15.472 6.057 -3.438 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -15.440 6.974 -5.611 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -14.965 5.460 -6.355 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -17.125 4.581 -6.297 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -17.603 5.550 -4.917 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -18.666 6.318 -6.937 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -17.622 7.517 -6.339 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -17.159 6.578 -7.676 1.00 0.00 H new ATOM 1645 N LYS A 106 -11.746 6.748 -2.061 1.00 0.00 N ATOM 1646 CA LYS A 106 -11.555 7.260 -0.709 1.00 0.00 C ATOM 1647 C LYS A 106 -10.889 8.632 -0.737 1.00 0.00 C ATOM 1648 O LYS A 106 -11.325 9.558 -0.053 1.00 0.00 O ATOM 1649 CB LYS A 106 -10.708 6.287 0.113 1.00 0.00 C ATOM 1650 CG LYS A 106 -10.342 6.812 1.490 1.00 0.00 C ATOM 1651 CD LYS A 106 -11.563 6.917 2.389 1.00 0.00 C ATOM 1652 CE LYS A 106 -11.196 7.443 3.768 1.00 0.00 C ATOM 1653 NZ LYS A 106 -12.375 7.488 4.676 1.00 0.00 N ATOM 0 H LYS A 106 -11.018 6.107 -2.375 1.00 0.00 H new ATOM 0 HA LYS A 106 -12.535 7.360 -0.243 1.00 0.00 H new ATOM 0 HB2 LYS A 106 -11.252 5.349 0.224 1.00 0.00 H new ATOM 0 HB3 LYS A 106 -9.793 6.062 -0.436 1.00 0.00 H new ATOM 0 HG2 LYS A 106 -9.607 6.151 1.949 1.00 0.00 H new ATOM 0 HG3 LYS A 106 -9.874 7.792 1.394 1.00 0.00 H new ATOM 0 HD2 LYS A 106 -12.298 7.578 1.930 1.00 0.00 H new ATOM 0 HD3 LYS A 106 -12.031 5.937 2.485 1.00 0.00 H new ATOM 0 HE2 LYS A 106 -10.425 6.809 4.205 1.00 0.00 H new ATOM 0 HE3 LYS A 106 -10.771 8.443 3.674 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 -12.084 7.852 5.606 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 -13.101 8.113 4.272 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 -12.765 6.530 4.786 1.00 0.00 H new ATOM 1667 N TRP A 107 -9.832 8.755 -1.532 1.00 0.00 N ATOM 1668 CA TRP A 107 -9.107 10.015 -1.649 1.00 0.00 C ATOM 1669 C TRP A 107 -9.987 11.094 -2.270 1.00 0.00 C ATOM 1670 O TRP A 107 -10.238 12.134 -1.659 1.00 0.00 O ATOM 1671 CB TRP A 107 -7.844 9.824 -2.490 1.00 0.00 C ATOM 1672 CG TRP A 107 -6.916 11.001 -2.445 1.00 0.00 C ATOM 1673 CD1 TRP A 107 -6.965 12.114 -3.235 1.00 0.00 C ATOM 1674 CD2 TRP A 107 -5.801 11.180 -1.565 1.00 0.00 C ATOM 1675 NE1 TRP A 107 -5.948 12.974 -2.899 1.00 0.00 N ATOM 1676 CE2 TRP A 107 -5.220 12.425 -1.877 1.00 0.00 C ATOM 1677 CE3 TRP A 107 -5.239 10.412 -0.542 1.00 0.00 C ATOM 1678 CZ2 TRP A 107 -4.104 12.915 -1.204 1.00 0.00 C ATOM 1679 CZ3 TRP A 107 -4.131 10.900 0.125 1.00 0.00 C ATOM 1680 CH2 TRP A 107 -3.574 12.142 -0.207 1.00 0.00 C ATOM 0 H TRP A 107 -9.458 7.998 -2.105 1.00 0.00 H new ATOM 0 HA TRP A 107 -8.823 10.336 -0.647 1.00 0.00 H new ATOM 0 HB2 TRP A 107 -7.313 8.939 -2.140 1.00 0.00 H new ATOM 0 HB3 TRP A 107 -8.130 9.636 -3.525 1.00 0.00 H new ATOM 0 HD1 TRP A 107 -7.696 12.292 -4.010 1.00 0.00 H new ATOM 0 HE1 TRP A 107 -5.765 13.876 -3.339 1.00 0.00 H new ATOM 0 HE3 TRP A 107 -5.663 9.454 -0.277 1.00 0.00 H new ATOM 0 HZ2 TRP A 107 -3.672 13.871 -1.460 1.00 0.00 H new ATOM 0 HZ3 TRP A 107 -3.687 10.314 0.916 1.00 0.00 H new ATOM 0 HH2 TRP A 107 -2.709 12.496 0.335 1.00 0.00 H new ATOM 1691 N THR A 108 -10.455 10.842 -3.488 1.00 0.00 N ATOM 1692 CA THR A 108 -11.307 11.792 -4.192 1.00 0.00 C ATOM 1693 C THR A 108 -12.359 12.383 -3.260 1.00 0.00 C ATOM 1694 O THR A 108 -12.766 13.534 -3.419 1.00 0.00 O ATOM 1695 CB THR A 108 -12.014 11.132 -5.391 1.00 0.00 C ATOM 1696 OG1 THR A 108 -12.793 12.104 -6.096 1.00 0.00 O ATOM 1697 CG2 THR A 108 -12.910 9.993 -4.931 1.00 0.00 C ATOM 0 H THR A 108 -10.258 9.987 -4.008 1.00 0.00 H new ATOM 0 HA THR A 108 -10.658 12.589 -4.555 1.00 0.00 H new ATOM 0 HB THR A 108 -11.251 10.727 -6.056 1.00 0.00 H new ATOM 0 HG1 THR A 108 -13.238 11.677 -6.858 1.00 0.00 H new ATOM 0 HG21 THR A 108 -13.398 9.543 -5.795 1.00 0.00 H new ATOM 0 HG22 THR A 108 -12.309 9.240 -4.421 1.00 0.00 H new ATOM 0 HG23 THR A 108 -13.666 10.378 -4.247 1.00 0.00 H new ATOM 1705 N ASP A 109 -12.793 11.590 -2.287 1.00 0.00 N ATOM 1706 CA ASP A 109 -13.797 12.036 -1.328 1.00 0.00 C ATOM 1707 C ASP A 109 -13.143 12.761 -0.155 1.00 0.00 C ATOM 1708 O ASP A 109 -13.701 13.714 0.389 1.00 0.00 O ATOM 1709 CB ASP A 109 -14.610 10.845 -0.818 1.00 0.00 C ATOM 1710 CG ASP A 109 -16.024 11.234 -0.431 1.00 0.00 C ATOM 1711 OD1 ASP A 109 -16.777 11.690 -1.316 1.00 0.00 O ATOM 1712 OD2 ASP A 109 -16.377 11.082 0.758 1.00 0.00 O ATOM 0 H ASP A 109 -12.465 10.635 -2.141 1.00 0.00 H new ATOM 0 HA ASP A 109 -14.465 12.732 -1.835 1.00 0.00 H new ATOM 0 HB2 ASP A 109 -14.646 10.076 -1.590 1.00 0.00 H new ATOM 0 HB3 ASP A 109 -14.107 10.408 0.045 1.00 0.00 H new ATOM 1717 N THR A 110 -11.956 12.302 0.230 1.00 0.00 N ATOM 1718 CA THR A 110 -11.227 12.904 1.339 1.00 0.00 C ATOM 1719 C THR A 110 -11.005 14.394 1.107 1.00 0.00 C ATOM 1720 O THR A 110 -11.537 15.232 1.835 1.00 0.00 O ATOM 1721 CB THR A 110 -9.863 12.220 1.552 1.00 0.00 C ATOM 1722 OG1 THR A 110 -10.046 10.814 1.750 1.00 0.00 O ATOM 1723 CG2 THR A 110 -9.141 12.817 2.751 1.00 0.00 C ATOM 0 H THR A 110 -11.479 11.515 -0.210 1.00 0.00 H new ATOM 0 HA THR A 110 -11.838 12.765 2.231 1.00 0.00 H new ATOM 0 HB THR A 110 -9.255 12.385 0.662 1.00 0.00 H new ATOM 0 HG1 THR A 110 -10.391 10.410 0.927 1.00 0.00 H new ATOM 0 HG21 THR A 110 -8.180 12.319 2.882 1.00 0.00 H new ATOM 0 HG22 THR A 110 -8.978 13.882 2.584 1.00 0.00 H new ATOM 0 HG23 THR A 110 -9.747 12.679 3.646 1.00 0.00 H new