USER MOD reduce.3.24.130724 H: found=0, std=0, add=899, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 899 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 18 THR OG1 : rot 180:sc= 0.612 USER MOD Set 1.2: A 21 SER OG : rot 90:sc= 0.677 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 175:sc= -0.457 (180deg=-0.676) USER MOD Single : A 6 LYS NZ :NH3+ 174:sc= 0.389 (180deg=0.376) USER MOD Single : A 7 THR OG1 : rot 36:sc= 0.785 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 TYR OH : rot 158:sc= 0.393 USER MOD Single : A 17 ASN : amide:sc= -0.0791 K(o=-0.079,f=-1.1) USER MOD Single : A 20 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 26 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0258) USER MOD Single : A 27 THR OG1 : rot 91:sc= 1.29 USER MOD Single : A 30 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 34 LYS NZ :NH3+ 166:sc= -0.0232 (180deg=-0.227) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 TYR OH : rot 110:sc= -0.845 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ -167:sc= -0.0178 (180deg=-0.229) USER MOD Single : A 50 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 52 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 58 LYS NZ :NH3+ -168:sc=-0.00403 (180deg=-0.155) USER MOD Single : A 62 THR OG1 : rot -120:sc= 0 USER MOD Single : A 64 THR OG1 : rot 100:sc= 1.21 USER MOD Single : A 67 LYS NZ :NH3+ 149:sc= 0.985 (180deg=0.427) USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 82 ASN : amide:sc= -0.025 K(o=-0.025,f=-3.8!) USER MOD Single : A 85 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0871) USER MOD Single : A 100 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 LYS NZ :NH3+ -162:sc= 0.44 (180deg=0.288) USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -1.240 -15.511 -20.675 1.00 0.00 N ATOM 2 CA MET A 1 -1.336 -14.066 -20.332 1.00 0.00 C ATOM 3 C MET A 1 -2.773 -13.572 -20.462 1.00 0.00 C ATOM 4 O MET A 1 -3.067 -12.407 -20.196 1.00 0.00 O ATOM 5 CB MET A 1 -0.416 -13.244 -21.240 1.00 0.00 C ATOM 6 CG MET A 1 -0.512 -13.615 -22.713 1.00 0.00 C ATOM 7 SD MET A 1 0.622 -12.666 -23.743 1.00 0.00 S ATOM 8 CE MET A 1 0.238 -13.322 -25.364 1.00 0.00 C ATOM 0 H1 MET A 1 -0.243 -15.805 -20.662 1.00 0.00 H new ATOM 0 H2 MET A 1 -1.775 -16.069 -19.979 1.00 0.00 H new ATOM 0 H3 MET A 1 -1.635 -15.670 -21.624 1.00 0.00 H new ATOM 0 HA MET A 1 -1.020 -13.940 -19.296 1.00 0.00 H new ATOM 0 HB2 MET A 1 -0.658 -12.187 -21.125 1.00 0.00 H new ATOM 0 HB3 MET A 1 0.615 -13.373 -20.909 1.00 0.00 H new ATOM 0 HG2 MET A 1 -0.301 -14.678 -22.831 1.00 0.00 H new ATOM 0 HG3 MET A 1 -1.533 -13.453 -23.059 1.00 0.00 H new ATOM 0 HE1 MET A 1 0.861 -12.832 -26.112 1.00 0.00 H new ATOM 0 HE2 MET A 1 0.431 -14.395 -25.378 1.00 0.00 H new ATOM 0 HE3 MET A 1 -0.812 -13.140 -25.591 1.00 0.00 H new ATOM 20 N ALA A 2 -3.656 -14.469 -20.892 1.00 0.00 N ATOM 21 CA ALA A 2 -5.075 -14.146 -21.059 1.00 0.00 C ATOM 22 C ALA A 2 -5.752 -13.748 -19.734 1.00 0.00 C ATOM 23 O ALA A 2 -6.431 -12.721 -19.684 1.00 0.00 O ATOM 24 CB ALA A 2 -5.813 -15.307 -21.717 1.00 0.00 C ATOM 0 H ALA A 2 -3.415 -15.430 -21.133 1.00 0.00 H new ATOM 0 HA ALA A 2 -5.129 -13.275 -21.712 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -6.866 -15.050 -21.833 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -5.378 -15.507 -22.696 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -5.724 -16.196 -21.092 1.00 0.00 H new ATOM 30 N PRO A 3 -5.607 -14.549 -18.645 1.00 0.00 N ATOM 31 CA PRO A 3 -6.219 -14.220 -17.350 1.00 0.00 C ATOM 32 C PRO A 3 -5.539 -13.044 -16.656 1.00 0.00 C ATOM 33 O PRO A 3 -4.361 -12.767 -16.884 1.00 0.00 O ATOM 34 CB PRO A 3 -6.047 -15.500 -16.537 1.00 0.00 C ATOM 35 CG PRO A 3 -4.833 -16.128 -17.108 1.00 0.00 C ATOM 36 CD PRO A 3 -4.873 -15.832 -18.581 1.00 0.00 C ATOM 0 HA PRO A 3 -7.258 -13.909 -17.463 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -5.923 -15.285 -15.476 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -6.915 -16.152 -16.631 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -3.931 -15.721 -16.652 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -4.826 -17.203 -16.925 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -3.871 -15.745 -19.002 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -5.385 -16.618 -19.136 1.00 0.00 H new ATOM 44 N LEU A 4 -6.290 -12.361 -15.798 1.00 0.00 N ATOM 45 CA LEU A 4 -5.769 -11.206 -15.075 1.00 0.00 C ATOM 46 C LEU A 4 -5.054 -11.632 -13.795 1.00 0.00 C ATOM 47 O LEU A 4 -4.367 -10.828 -13.164 1.00 0.00 O ATOM 48 CB LEU A 4 -6.908 -10.243 -14.736 1.00 0.00 C ATOM 49 CG LEU A 4 -7.706 -9.732 -15.939 1.00 0.00 C ATOM 50 CD1 LEU A 4 -8.819 -8.802 -15.486 1.00 0.00 C ATOM 51 CD2 LEU A 4 -6.791 -9.037 -16.935 1.00 0.00 C ATOM 0 H LEU A 4 -7.262 -12.587 -15.586 1.00 0.00 H new ATOM 0 HA LEU A 4 -5.047 -10.703 -15.718 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -7.593 -10.742 -14.051 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -6.493 -9.387 -14.205 1.00 0.00 H new ATOM 0 HG LEU A 4 -8.160 -10.588 -16.438 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -9.375 -8.449 -16.355 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -9.492 -9.339 -14.818 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -8.389 -7.950 -14.960 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -7.378 -8.682 -17.782 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -6.303 -8.191 -16.451 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -6.035 -9.740 -17.287 1.00 0.00 H new ATOM 63 N ARG A 5 -5.223 -12.906 -13.427 1.00 0.00 N ATOM 64 CA ARG A 5 -4.610 -13.466 -12.223 1.00 0.00 C ATOM 65 C ARG A 5 -5.035 -12.678 -10.977 1.00 0.00 C ATOM 66 O ARG A 5 -6.223 -12.427 -10.773 1.00 0.00 O ATOM 67 CB ARG A 5 -3.078 -13.497 -12.368 1.00 0.00 C ATOM 68 CG ARG A 5 -2.403 -14.615 -11.582 1.00 0.00 C ATOM 69 CD ARG A 5 -2.660 -15.981 -12.202 1.00 0.00 C ATOM 70 NE ARG A 5 -1.985 -16.137 -13.488 1.00 0.00 N ATOM 71 CZ ARG A 5 -2.089 -17.225 -14.248 1.00 0.00 C ATOM 72 NH1 ARG A 5 -2.822 -18.254 -13.839 1.00 0.00 N ATOM 73 NH2 ARG A 5 -1.454 -17.285 -15.410 1.00 0.00 N ATOM 0 H ARG A 5 -5.786 -13.574 -13.954 1.00 0.00 H new ATOM 0 HA ARG A 5 -4.960 -14.491 -12.100 1.00 0.00 H new ATOM 0 HB2 ARG A 5 -2.825 -13.605 -13.423 1.00 0.00 H new ATOM 0 HB3 ARG A 5 -2.673 -12.540 -12.039 1.00 0.00 H new ATOM 0 HG2 ARG A 5 -1.329 -14.432 -11.540 1.00 0.00 H new ATOM 0 HG3 ARG A 5 -2.768 -14.608 -10.555 1.00 0.00 H new ATOM 0 HD2 ARG A 5 -2.320 -16.759 -11.518 1.00 0.00 H new ATOM 0 HD3 ARG A 5 -3.732 -16.121 -12.337 1.00 0.00 H new ATOM 0 HE ARG A 5 -1.402 -15.370 -13.822 1.00 0.00 H new ATOM 0 HH11 ARG A 5 -3.306 -18.211 -12.942 1.00 0.00 H new ATOM 0 HH12 ARG A 5 -2.901 -19.087 -14.422 1.00 0.00 H new ATOM 0 HH21 ARG A 5 -0.886 -16.498 -15.722 1.00 0.00 H new ATOM 0 HH22 ARG A 5 -1.534 -18.119 -15.992 1.00 0.00 H new ATOM 87 N LYS A 6 -4.069 -12.297 -10.146 1.00 0.00 N ATOM 88 CA LYS A 6 -4.359 -11.543 -8.931 1.00 0.00 C ATOM 89 C LYS A 6 -4.066 -10.063 -9.118 1.00 0.00 C ATOM 90 O LYS A 6 -4.235 -9.267 -8.193 1.00 0.00 O ATOM 91 CB LYS A 6 -3.538 -12.086 -7.758 1.00 0.00 C ATOM 92 CG LYS A 6 -3.748 -13.571 -7.493 1.00 0.00 C ATOM 93 CD LYS A 6 -5.202 -13.889 -7.171 1.00 0.00 C ATOM 94 CE LYS A 6 -5.379 -15.347 -6.776 1.00 0.00 C ATOM 95 NZ LYS A 6 -4.988 -16.273 -7.876 1.00 0.00 N ATOM 0 H LYS A 6 -3.080 -12.498 -10.292 1.00 0.00 H new ATOM 0 HA LYS A 6 -5.421 -11.660 -8.714 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -2.481 -11.908 -7.954 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -3.794 -11.527 -6.858 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -3.436 -14.144 -8.366 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -3.115 -13.885 -6.663 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -5.545 -13.247 -6.360 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -5.825 -13.668 -8.038 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -4.777 -15.559 -5.892 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -6.419 -15.526 -6.504 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -5.026 -17.254 -7.534 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -5.644 -16.159 -8.675 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -4.021 -16.053 -8.188 1.00 0.00 H new ATOM 109 N THR A 7 -3.624 -9.693 -10.311 1.00 0.00 N ATOM 110 CA THR A 7 -3.305 -8.306 -10.590 1.00 0.00 C ATOM 111 C THR A 7 -4.504 -7.544 -11.132 1.00 0.00 C ATOM 112 O THR A 7 -5.181 -7.983 -12.062 1.00 0.00 O ATOM 113 CB THR A 7 -2.129 -8.179 -11.574 1.00 0.00 C ATOM 114 OG1 THR A 7 -2.155 -9.256 -12.520 1.00 0.00 O ATOM 115 CG2 THR A 7 -0.803 -8.176 -10.830 1.00 0.00 C ATOM 0 H THR A 7 -3.480 -10.330 -11.094 1.00 0.00 H new ATOM 0 HA THR A 7 -3.015 -7.864 -9.637 1.00 0.00 H new ATOM 0 HB THR A 7 -2.231 -7.234 -12.107 1.00 0.00 H new ATOM 0 HG1 THR A 7 -3.084 -9.477 -12.739 1.00 0.00 H new ATOM 0 HG21 THR A 7 0.015 -8.085 -11.545 1.00 0.00 H new ATOM 0 HG22 THR A 7 -0.776 -7.334 -10.139 1.00 0.00 H new ATOM 0 HG23 THR A 7 -0.696 -9.107 -10.273 1.00 0.00 H new ATOM 123 N ALA A 8 -4.749 -6.395 -10.530 1.00 0.00 N ATOM 124 CA ALA A 8 -5.849 -5.526 -10.919 1.00 0.00 C ATOM 125 C ALA A 8 -5.328 -4.292 -11.639 1.00 0.00 C ATOM 126 O ALA A 8 -4.193 -3.866 -11.414 1.00 0.00 O ATOM 127 CB ALA A 8 -6.652 -5.133 -9.695 1.00 0.00 C ATOM 0 H ALA A 8 -4.191 -6.035 -9.756 1.00 0.00 H new ATOM 0 HA ALA A 8 -6.499 -6.067 -11.606 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -7.474 -4.482 -9.993 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -7.052 -6.028 -9.219 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -6.008 -4.605 -8.991 1.00 0.00 H new ATOM 133 N VAL A 9 -6.156 -3.712 -12.497 1.00 0.00 N ATOM 134 CA VAL A 9 -5.755 -2.539 -13.253 1.00 0.00 C ATOM 135 C VAL A 9 -6.477 -1.298 -12.739 1.00 0.00 C ATOM 136 O VAL A 9 -7.709 -1.251 -12.686 1.00 0.00 O ATOM 137 CB VAL A 9 -6.040 -2.710 -14.763 1.00 0.00 C ATOM 138 CG1 VAL A 9 -5.632 -1.460 -15.543 1.00 0.00 C ATOM 139 CG2 VAL A 9 -5.316 -3.934 -15.305 1.00 0.00 C ATOM 0 H VAL A 9 -7.105 -4.035 -12.685 1.00 0.00 H new ATOM 0 HA VAL A 9 -4.680 -2.419 -13.116 1.00 0.00 H new ATOM 0 HB VAL A 9 -7.113 -2.853 -14.891 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -5.843 -1.607 -16.602 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -6.196 -0.602 -15.176 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -4.566 -1.278 -15.407 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -5.527 -4.040 -16.369 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -4.242 -3.816 -15.158 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -5.659 -4.823 -14.777 1.00 0.00 H new ATOM 149 N LEU A 10 -5.695 -0.301 -12.373 1.00 0.00 N ATOM 150 CA LEU A 10 -6.226 0.954 -11.871 1.00 0.00 C ATOM 151 C LEU A 10 -5.906 2.032 -12.895 1.00 0.00 C ATOM 152 O LEU A 10 -4.749 2.188 -13.287 1.00 0.00 O ATOM 153 CB LEU A 10 -5.592 1.281 -10.508 1.00 0.00 C ATOM 154 CG LEU A 10 -6.440 2.102 -9.517 1.00 0.00 C ATOM 155 CD1 LEU A 10 -6.835 3.442 -10.107 1.00 0.00 C ATOM 156 CD2 LEU A 10 -7.677 1.332 -9.077 1.00 0.00 C ATOM 0 H LEU A 10 -4.676 -0.336 -12.415 1.00 0.00 H new ATOM 0 HA LEU A 10 -7.304 0.892 -11.726 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -5.324 0.341 -10.026 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -4.664 1.823 -10.688 1.00 0.00 H new ATOM 0 HG LEU A 10 -5.822 2.285 -8.638 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -7.432 3.996 -9.383 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -5.938 4.012 -10.349 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -7.419 3.283 -11.013 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -8.254 1.938 -8.379 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -8.290 1.100 -9.948 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -7.374 0.405 -8.589 1.00 0.00 H new ATOM 168 N LYS A 11 -6.910 2.784 -13.330 1.00 0.00 N ATOM 169 CA LYS A 11 -6.673 3.820 -14.321 1.00 0.00 C ATOM 170 C LYS A 11 -6.941 5.197 -13.736 1.00 0.00 C ATOM 171 O LYS A 11 -7.965 5.429 -13.090 1.00 0.00 O ATOM 172 CB LYS A 11 -7.533 3.616 -15.575 1.00 0.00 C ATOM 173 CG LYS A 11 -7.138 2.405 -16.403 1.00 0.00 C ATOM 174 CD LYS A 11 -7.991 2.287 -17.656 1.00 0.00 C ATOM 175 CE LYS A 11 -7.573 1.096 -18.504 1.00 0.00 C ATOM 176 NZ LYS A 11 -8.406 0.967 -19.732 1.00 0.00 N ATOM 0 H LYS A 11 -7.877 2.697 -13.018 1.00 0.00 H new ATOM 0 HA LYS A 11 -5.625 3.750 -14.612 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -8.576 3.514 -15.275 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -7.466 4.508 -16.198 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -6.087 2.481 -16.682 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -7.244 1.502 -15.802 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -9.039 2.185 -17.376 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -7.905 3.201 -18.243 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -6.525 1.201 -18.786 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -7.654 0.184 -17.913 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -8.089 0.143 -20.282 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -9.403 0.841 -19.464 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -8.309 1.827 -20.309 1.00 0.00 H new ATOM 190 N LEU A 12 -6.004 6.101 -13.961 1.00 0.00 N ATOM 191 CA LEU A 12 -6.132 7.463 -13.481 1.00 0.00 C ATOM 192 C LEU A 12 -6.409 8.378 -14.659 1.00 0.00 C ATOM 193 O LEU A 12 -5.643 8.391 -15.625 1.00 0.00 O ATOM 194 CB LEU A 12 -4.843 7.906 -12.776 1.00 0.00 C ATOM 195 CG LEU A 12 -5.030 8.638 -11.440 1.00 0.00 C ATOM 196 CD1 LEU A 12 -3.688 9.114 -10.906 1.00 0.00 C ATOM 197 CD2 LEU A 12 -5.987 9.813 -11.584 1.00 0.00 C ATOM 0 H LEU A 12 -5.143 5.914 -14.475 1.00 0.00 H new ATOM 0 HA LEU A 12 -6.954 7.516 -12.767 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -4.225 7.025 -12.603 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -4.288 8.557 -13.451 1.00 0.00 H new ATOM 0 HG LEU A 12 -5.465 7.935 -10.730 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -3.836 9.631 -9.958 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -3.033 8.257 -10.753 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -3.232 9.796 -11.624 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -6.099 10.311 -10.621 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -5.590 10.519 -12.314 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -6.959 9.452 -11.921 1.00 0.00 H new ATOM 209 N TYR A 13 -7.485 9.140 -14.603 1.00 0.00 N ATOM 210 CA TYR A 13 -7.810 10.049 -15.684 1.00 0.00 C ATOM 211 C TYR A 13 -7.331 11.440 -15.306 1.00 0.00 C ATOM 212 O TYR A 13 -7.781 12.006 -14.309 1.00 0.00 O ATOM 213 CB TYR A 13 -9.321 10.055 -15.926 1.00 0.00 C ATOM 214 CG TYR A 13 -9.865 8.712 -16.369 1.00 0.00 C ATOM 215 CD1 TYR A 13 -10.350 7.796 -15.443 1.00 0.00 C ATOM 216 CD2 TYR A 13 -9.887 8.359 -17.712 1.00 0.00 C ATOM 217 CE1 TYR A 13 -10.843 6.567 -15.844 1.00 0.00 C ATOM 218 CE2 TYR A 13 -10.378 7.133 -18.121 1.00 0.00 C ATOM 219 CZ TYR A 13 -10.854 6.241 -17.183 1.00 0.00 C ATOM 220 OH TYR A 13 -11.343 5.018 -17.585 1.00 0.00 O ATOM 0 H TYR A 13 -8.145 9.148 -13.825 1.00 0.00 H new ATOM 0 HA TYR A 13 -7.318 9.728 -16.602 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -9.827 10.359 -15.010 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -9.557 10.802 -16.684 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -10.342 8.048 -14.393 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -9.514 9.054 -18.450 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -11.217 5.867 -15.112 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -10.389 6.875 -19.170 1.00 0.00 H new ATOM 0 HH TYR A 13 -11.617 5.068 -18.525 1.00 0.00 H new ATOM 230 N VAL A 14 -6.423 11.991 -16.097 1.00 0.00 N ATOM 231 CA VAL A 14 -5.869 13.303 -15.809 1.00 0.00 C ATOM 232 C VAL A 14 -6.025 14.241 -16.992 1.00 0.00 C ATOM 233 O VAL A 14 -6.216 13.804 -18.130 1.00 0.00 O ATOM 234 CB VAL A 14 -4.369 13.212 -15.440 1.00 0.00 C ATOM 235 CG1 VAL A 14 -4.173 12.392 -14.171 1.00 0.00 C ATOM 236 CG2 VAL A 14 -3.558 12.623 -16.588 1.00 0.00 C ATOM 0 H VAL A 14 -6.056 11.551 -16.941 1.00 0.00 H new ATOM 0 HA VAL A 14 -6.427 13.698 -14.960 1.00 0.00 H new ATOM 0 HB VAL A 14 -4.008 14.224 -15.254 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -3.111 12.342 -13.931 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -4.709 12.863 -13.347 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -4.558 11.384 -14.326 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -2.508 12.570 -16.302 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -3.923 11.621 -16.815 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -3.663 13.256 -17.470 1.00 0.00 H new ATOM 246 N ALA A 15 -5.936 15.531 -16.717 1.00 0.00 N ATOM 247 CA ALA A 15 -6.056 16.535 -17.755 1.00 0.00 C ATOM 248 C ALA A 15 -4.756 17.315 -17.861 1.00 0.00 C ATOM 249 O ALA A 15 -4.469 18.176 -17.025 1.00 0.00 O ATOM 250 CB ALA A 15 -7.229 17.465 -17.480 1.00 0.00 C ATOM 0 H ALA A 15 -5.781 15.906 -15.781 1.00 0.00 H new ATOM 0 HA ALA A 15 -6.249 16.039 -18.706 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -7.297 18.209 -18.274 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -8.152 16.886 -17.445 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -7.079 17.967 -16.524 1.00 0.00 H new ATOM 256 N GLY A 16 -3.978 17.016 -18.899 1.00 0.00 N ATOM 257 CA GLY A 16 -2.706 17.686 -19.095 1.00 0.00 C ATOM 258 C GLY A 16 -1.748 17.435 -17.950 1.00 0.00 C ATOM 259 O GLY A 16 -1.536 16.290 -17.551 1.00 0.00 O ATOM 0 H GLY A 16 -4.208 16.320 -19.608 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -2.255 17.342 -20.026 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -2.874 18.758 -19.199 1.00 0.00 H new ATOM 263 N ASN A 17 -1.169 18.503 -17.416 1.00 0.00 N ATOM 264 CA ASN A 17 -0.234 18.381 -16.307 1.00 0.00 C ATOM 265 C ASN A 17 -0.549 19.412 -15.236 1.00 0.00 C ATOM 266 O ASN A 17 0.315 20.190 -14.826 1.00 0.00 O ATOM 267 CB ASN A 17 1.207 18.549 -16.799 1.00 0.00 C ATOM 268 CG ASN A 17 2.206 17.794 -15.947 1.00 0.00 C ATOM 269 OD1 ASN A 17 1.953 16.667 -15.526 1.00 0.00 O ATOM 270 ND2 ASN A 17 3.351 18.413 -15.686 1.00 0.00 N ATOM 0 H ASN A 17 -1.330 19.459 -17.732 1.00 0.00 H new ATOM 0 HA ASN A 17 -0.338 17.386 -15.875 1.00 0.00 H new ATOM 0 HB2 ASN A 17 1.278 18.201 -17.830 1.00 0.00 H new ATOM 0 HB3 ASN A 17 1.465 19.608 -16.802 1.00 0.00 H new ATOM 0 HD21 ASN A 17 4.061 17.953 -15.116 1.00 0.00 H new ATOM 0 HD22 ASN A 17 3.521 19.349 -16.055 1.00 0.00 H new ATOM 277 N THR A 18 -1.803 19.425 -14.800 1.00 0.00 N ATOM 278 CA THR A 18 -2.242 20.346 -13.763 1.00 0.00 C ATOM 279 C THR A 18 -1.718 19.892 -12.416 1.00 0.00 C ATOM 280 O THR A 18 -1.399 18.717 -12.238 1.00 0.00 O ATOM 281 CB THR A 18 -3.781 20.451 -13.709 1.00 0.00 C ATOM 282 OG1 THR A 18 -4.363 19.165 -13.458 1.00 0.00 O ATOM 283 CG2 THR A 18 -4.329 21.023 -15.004 1.00 0.00 C ATOM 0 H THR A 18 -2.534 18.806 -15.151 1.00 0.00 H new ATOM 0 HA THR A 18 -1.844 21.332 -14.004 1.00 0.00 H new ATOM 0 HB THR A 18 -4.044 21.124 -12.893 1.00 0.00 H new ATOM 0 HG1 THR A 18 -5.339 19.248 -13.425 1.00 0.00 H new ATOM 0 HG21 THR A 18 -5.415 21.088 -14.942 1.00 0.00 H new ATOM 0 HG22 THR A 18 -3.915 22.018 -15.166 1.00 0.00 H new ATOM 0 HG23 THR A 18 -4.051 20.375 -15.835 1.00 0.00 H new ATOM 291 N PRO A 19 -1.618 20.810 -11.447 1.00 0.00 N ATOM 292 CA PRO A 19 -1.130 20.479 -10.108 1.00 0.00 C ATOM 293 C PRO A 19 -1.962 19.393 -9.446 1.00 0.00 C ATOM 294 O PRO A 19 -1.436 18.578 -8.697 1.00 0.00 O ATOM 295 CB PRO A 19 -1.259 21.802 -9.343 1.00 0.00 C ATOM 296 CG PRO A 19 -2.166 22.651 -10.171 1.00 0.00 C ATOM 297 CD PRO A 19 -1.917 22.243 -11.585 1.00 0.00 C ATOM 0 HA PRO A 19 -0.114 20.085 -10.128 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -1.672 21.641 -8.347 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -0.287 22.277 -9.212 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -3.209 22.495 -9.896 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -1.953 23.710 -10.025 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -2.787 22.418 -12.218 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -1.085 22.792 -12.027 1.00 0.00 H new ATOM 305 N ASN A 20 -3.259 19.383 -9.731 1.00 0.00 N ATOM 306 CA ASN A 20 -4.140 18.357 -9.173 1.00 0.00 C ATOM 307 C ASN A 20 -3.777 16.996 -9.764 1.00 0.00 C ATOM 308 O ASN A 20 -3.707 15.996 -9.051 1.00 0.00 O ATOM 309 CB ASN A 20 -5.618 18.665 -9.459 1.00 0.00 C ATOM 310 CG ASN A 20 -6.082 19.953 -8.806 1.00 0.00 C ATOM 311 OD1 ASN A 20 -6.459 20.904 -9.488 1.00 0.00 O ATOM 312 ND2 ASN A 20 -6.056 19.991 -7.480 1.00 0.00 N ATOM 0 H ASN A 20 -3.721 20.062 -10.336 1.00 0.00 H new ATOM 0 HA ASN A 20 -4.002 18.345 -8.092 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -5.769 18.733 -10.536 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -6.233 17.839 -9.102 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -6.356 20.832 -6.988 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -5.736 19.179 -6.953 1.00 0.00 H new ATOM 319 N SER A 21 -3.546 16.978 -11.082 1.00 0.00 N ATOM 320 CA SER A 21 -3.162 15.761 -11.794 1.00 0.00 C ATOM 321 C SER A 21 -1.773 15.310 -11.376 1.00 0.00 C ATOM 322 O SER A 21 -1.548 14.124 -11.153 1.00 0.00 O ATOM 323 CB SER A 21 -3.195 15.997 -13.304 1.00 0.00 C ATOM 324 OG SER A 21 -4.511 16.288 -13.751 1.00 0.00 O ATOM 0 H SER A 21 -3.620 17.802 -11.678 1.00 0.00 H new ATOM 0 HA SER A 21 -3.876 14.978 -11.538 1.00 0.00 H new ATOM 0 HB2 SER A 21 -2.531 16.822 -13.560 1.00 0.00 H new ATOM 0 HB3 SER A 21 -2.820 15.114 -13.821 1.00 0.00 H new ATOM 0 HG SER A 21 -4.660 17.256 -13.722 1.00 0.00 H new ATOM 330 N VAL A 22 -0.851 16.255 -11.262 1.00 0.00 N ATOM 331 CA VAL A 22 0.510 15.938 -10.853 1.00 0.00 C ATOM 332 C VAL A 22 0.527 15.411 -9.421 1.00 0.00 C ATOM 333 O VAL A 22 1.191 14.417 -9.120 1.00 0.00 O ATOM 334 CB VAL A 22 1.443 17.164 -10.977 1.00 0.00 C ATOM 335 CG1 VAL A 22 2.786 16.900 -10.314 1.00 0.00 C ATOM 336 CG2 VAL A 22 1.631 17.552 -12.435 1.00 0.00 C ATOM 0 H VAL A 22 -1.019 17.244 -11.446 1.00 0.00 H new ATOM 0 HA VAL A 22 0.882 15.164 -11.524 1.00 0.00 H new ATOM 0 HB VAL A 22 0.971 17.998 -10.458 1.00 0.00 H new ATOM 0 HG11 VAL A 22 3.422 17.779 -10.417 1.00 0.00 H new ATOM 0 HG12 VAL A 22 2.634 16.684 -9.257 1.00 0.00 H new ATOM 0 HG13 VAL A 22 3.267 16.047 -10.793 1.00 0.00 H new ATOM 0 HG21 VAL A 22 2.291 18.417 -12.499 1.00 0.00 H new ATOM 0 HG22 VAL A 22 2.073 16.717 -12.980 1.00 0.00 H new ATOM 0 HG23 VAL A 22 0.664 17.800 -12.873 1.00 0.00 H new ATOM 346 N ARG A 23 -0.225 16.074 -8.551 1.00 0.00 N ATOM 347 CA ARG A 23 -0.304 15.691 -7.148 1.00 0.00 C ATOM 348 C ARG A 23 -0.910 14.305 -7.008 1.00 0.00 C ATOM 349 O ARG A 23 -0.366 13.441 -6.320 1.00 0.00 O ATOM 350 CB ARG A 23 -1.182 16.688 -6.403 1.00 0.00 C ATOM 351 CG ARG A 23 -0.769 16.943 -4.968 1.00 0.00 C ATOM 352 CD ARG A 23 0.079 18.198 -4.863 1.00 0.00 C ATOM 353 NE ARG A 23 0.435 18.510 -3.482 1.00 0.00 N ATOM 354 CZ ARG A 23 1.199 19.540 -3.132 1.00 0.00 C ATOM 355 NH1 ARG A 23 1.684 20.354 -4.060 1.00 0.00 N ATOM 356 NH2 ARG A 23 1.479 19.755 -1.853 1.00 0.00 N ATOM 0 H ARG A 23 -0.793 16.885 -8.796 1.00 0.00 H new ATOM 0 HA ARG A 23 0.703 15.685 -6.730 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -1.173 17.635 -6.943 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -2.210 16.325 -6.412 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -1.656 17.045 -4.343 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -0.209 16.088 -4.589 1.00 0.00 H new ATOM 0 HD2 ARG A 23 0.988 18.070 -5.451 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -0.464 19.038 -5.295 1.00 0.00 H new ATOM 0 HE ARG A 23 0.077 17.903 -2.744 1.00 0.00 H new ATOM 0 HH11 ARG A 23 1.471 20.190 -5.044 1.00 0.00 H new ATOM 0 HH12 ARG A 23 2.270 21.144 -3.790 1.00 0.00 H new ATOM 0 HH21 ARG A 23 1.108 19.130 -1.138 1.00 0.00 H new ATOM 0 HH22 ARG A 23 2.065 20.546 -1.585 1.00 0.00 H new ATOM 370 N ALA A 24 -2.046 14.105 -7.674 1.00 0.00 N ATOM 371 CA ALA A 24 -2.748 12.825 -7.619 1.00 0.00 C ATOM 372 C ALA A 24 -1.901 11.696 -8.205 1.00 0.00 C ATOM 373 O ALA A 24 -1.832 10.603 -7.642 1.00 0.00 O ATOM 374 CB ALA A 24 -4.077 12.917 -8.355 1.00 0.00 C ATOM 0 H ALA A 24 -2.498 14.810 -8.256 1.00 0.00 H new ATOM 0 HA ALA A 24 -2.935 12.596 -6.570 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -4.588 11.955 -8.305 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -4.698 13.683 -7.890 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -3.898 13.179 -9.398 1.00 0.00 H new ATOM 380 N LEU A 25 -1.262 11.978 -9.339 1.00 0.00 N ATOM 381 CA LEU A 25 -0.411 11.003 -10.020 1.00 0.00 C ATOM 382 C LEU A 25 0.768 10.589 -9.144 1.00 0.00 C ATOM 383 O LEU A 25 1.060 9.401 -9.009 1.00 0.00 O ATOM 384 CB LEU A 25 0.088 11.580 -11.351 1.00 0.00 C ATOM 385 CG LEU A 25 1.024 10.678 -12.158 1.00 0.00 C ATOM 386 CD1 LEU A 25 0.332 9.374 -12.530 1.00 0.00 C ATOM 387 CD2 LEU A 25 1.507 11.400 -13.407 1.00 0.00 C ATOM 0 H LEU A 25 -1.318 12.882 -9.809 1.00 0.00 H new ATOM 0 HA LEU A 25 -1.007 10.112 -10.219 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -0.777 11.819 -11.969 1.00 0.00 H new ATOM 0 HB3 LEU A 25 0.604 12.518 -11.148 1.00 0.00 H new ATOM 0 HG LEU A 25 1.888 10.439 -11.538 1.00 0.00 H new ATOM 0 HD11 LEU A 25 1.017 8.749 -13.103 1.00 0.00 H new ATOM 0 HD12 LEU A 25 0.034 8.848 -11.623 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -0.552 9.590 -13.131 1.00 0.00 H new ATOM 0 HD21 LEU A 25 2.172 10.746 -13.971 1.00 0.00 H new ATOM 0 HD22 LEU A 25 0.651 11.668 -14.026 1.00 0.00 H new ATOM 0 HD23 LEU A 25 2.045 12.304 -13.120 1.00 0.00 H new ATOM 399 N LYS A 26 1.436 11.570 -8.541 1.00 0.00 N ATOM 400 CA LYS A 26 2.578 11.295 -7.673 1.00 0.00 C ATOM 401 C LYS A 26 2.148 10.511 -6.437 1.00 0.00 C ATOM 402 O LYS A 26 2.826 9.570 -6.021 1.00 0.00 O ATOM 403 CB LYS A 26 3.259 12.600 -7.251 1.00 0.00 C ATOM 404 CG LYS A 26 4.528 12.912 -8.035 1.00 0.00 C ATOM 405 CD LYS A 26 4.246 13.115 -9.516 1.00 0.00 C ATOM 406 CE LYS A 26 5.269 14.039 -10.157 1.00 0.00 C ATOM 407 NZ LYS A 26 6.653 13.499 -10.048 1.00 0.00 N ATOM 0 H LYS A 26 1.207 12.559 -8.637 1.00 0.00 H new ATOM 0 HA LYS A 26 3.288 10.691 -8.237 1.00 0.00 H new ATOM 0 HB2 LYS A 26 2.555 13.423 -7.375 1.00 0.00 H new ATOM 0 HB3 LYS A 26 3.503 12.545 -6.190 1.00 0.00 H new ATOM 0 HG2 LYS A 26 4.994 13.809 -7.628 1.00 0.00 H new ATOM 0 HG3 LYS A 26 5.241 12.097 -7.910 1.00 0.00 H new ATOM 0 HD2 LYS A 26 4.256 12.151 -10.025 1.00 0.00 H new ATOM 0 HD3 LYS A 26 3.247 13.532 -9.643 1.00 0.00 H new ATOM 0 HE2 LYS A 26 5.018 14.185 -11.208 1.00 0.00 H new ATOM 0 HE3 LYS A 26 5.223 15.018 -9.680 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 7.303 14.096 -10.598 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 6.947 13.495 -9.050 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 6.677 12.528 -10.420 1.00 0.00 H new ATOM 421 N THR A 27 1.015 10.905 -5.859 1.00 0.00 N ATOM 422 CA THR A 27 0.478 10.256 -4.668 1.00 0.00 C ATOM 423 C THR A 27 0.115 8.793 -4.931 1.00 0.00 C ATOM 424 O THR A 27 0.512 7.904 -4.177 1.00 0.00 O ATOM 425 CB THR A 27 -0.771 11.021 -4.179 1.00 0.00 C ATOM 426 OG1 THR A 27 -0.416 12.371 -3.863 1.00 0.00 O ATOM 427 CG2 THR A 27 -1.386 10.370 -2.956 1.00 0.00 C ATOM 0 H THR A 27 0.447 11.679 -6.202 1.00 0.00 H new ATOM 0 HA THR A 27 1.252 10.274 -3.901 1.00 0.00 H new ATOM 0 HB THR A 27 -1.507 11.000 -4.983 1.00 0.00 H new ATOM 0 HG1 THR A 27 -0.528 12.933 -4.658 1.00 0.00 H new ATOM 0 HG21 THR A 27 -2.262 10.938 -2.643 1.00 0.00 H new ATOM 0 HG22 THR A 27 -1.683 9.349 -3.198 1.00 0.00 H new ATOM 0 HG23 THR A 27 -0.656 10.354 -2.147 1.00 0.00 H new ATOM 435 N LEU A 28 -0.623 8.547 -6.012 1.00 0.00 N ATOM 436 CA LEU A 28 -1.044 7.190 -6.354 1.00 0.00 C ATOM 437 C LEU A 28 0.136 6.306 -6.760 1.00 0.00 C ATOM 438 O LEU A 28 0.243 5.164 -6.312 1.00 0.00 O ATOM 439 CB LEU A 28 -2.083 7.229 -7.479 1.00 0.00 C ATOM 440 CG LEU A 28 -2.623 5.864 -7.924 1.00 0.00 C ATOM 441 CD1 LEU A 28 -3.342 5.163 -6.781 1.00 0.00 C ATOM 442 CD2 LEU A 28 -3.553 6.027 -9.112 1.00 0.00 C ATOM 0 H LEU A 28 -0.940 9.265 -6.663 1.00 0.00 H new ATOM 0 HA LEU A 28 -1.489 6.751 -5.461 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -2.922 7.844 -7.154 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -1.640 7.725 -8.343 1.00 0.00 H new ATOM 0 HG LEU A 28 -1.777 5.245 -8.222 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -3.715 4.198 -7.123 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -2.649 5.011 -5.954 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -4.178 5.777 -6.446 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -3.928 5.050 -9.417 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -4.390 6.667 -8.833 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -3.009 6.481 -9.940 1.00 0.00 H new ATOM 454 N ALA A 29 1.025 6.840 -7.604 1.00 0.00 N ATOM 455 CA ALA A 29 2.178 6.080 -8.086 1.00 0.00 C ATOM 456 C ALA A 29 3.117 5.665 -6.960 1.00 0.00 C ATOM 457 O ALA A 29 3.571 4.528 -6.927 1.00 0.00 O ATOM 458 CB ALA A 29 2.938 6.879 -9.134 1.00 0.00 C ATOM 0 H ALA A 29 0.967 7.792 -7.965 1.00 0.00 H new ATOM 0 HA ALA A 29 1.790 5.166 -8.535 1.00 0.00 H new ATOM 0 HB1 ALA A 29 3.793 6.300 -9.483 1.00 0.00 H new ATOM 0 HB2 ALA A 29 2.279 7.096 -9.975 1.00 0.00 H new ATOM 0 HB3 ALA A 29 3.287 7.814 -8.696 1.00 0.00 H new ATOM 464 N ASN A 30 3.385 6.576 -6.028 1.00 0.00 N ATOM 465 CA ASN A 30 4.280 6.286 -4.904 1.00 0.00 C ATOM 466 C ASN A 30 3.729 5.146 -4.053 1.00 0.00 C ATOM 467 O ASN A 30 4.461 4.232 -3.666 1.00 0.00 O ATOM 468 CB ASN A 30 4.466 7.537 -4.039 1.00 0.00 C ATOM 469 CG ASN A 30 5.392 7.303 -2.861 1.00 0.00 C ATOM 470 OD1 ASN A 30 4.942 7.092 -1.736 1.00 0.00 O ATOM 471 ND2 ASN A 30 6.695 7.338 -3.112 1.00 0.00 N ATOM 0 H ASN A 30 2.998 7.520 -6.026 1.00 0.00 H new ATOM 0 HA ASN A 30 5.246 5.983 -5.308 1.00 0.00 H new ATOM 0 HB2 ASN A 30 4.865 8.343 -4.655 1.00 0.00 H new ATOM 0 HB3 ASN A 30 3.494 7.867 -3.672 1.00 0.00 H new ATOM 0 HD21 ASN A 30 7.364 7.187 -2.357 1.00 0.00 H new ATOM 0 HD22 ASN A 30 7.027 7.516 -4.060 1.00 0.00 H new ATOM 478 N ILE A 31 2.435 5.210 -3.776 1.00 0.00 N ATOM 479 CA ILE A 31 1.770 4.191 -2.987 1.00 0.00 C ATOM 480 C ILE A 31 1.808 2.836 -3.696 1.00 0.00 C ATOM 481 O ILE A 31 2.113 1.812 -3.092 1.00 0.00 O ATOM 482 CB ILE A 31 0.335 4.623 -2.649 1.00 0.00 C ATOM 483 CG1 ILE A 31 0.411 5.760 -1.634 1.00 0.00 C ATOM 484 CG2 ILE A 31 -0.496 3.466 -2.115 1.00 0.00 C ATOM 485 CD1 ILE A 31 -0.893 6.473 -1.413 1.00 0.00 C ATOM 0 H ILE A 31 1.824 5.964 -4.090 1.00 0.00 H new ATOM 0 HA ILE A 31 2.308 4.074 -2.046 1.00 0.00 H new ATOM 0 HB ILE A 31 -0.164 4.961 -3.557 1.00 0.00 H new ATOM 0 HG12 ILE A 31 0.760 5.360 -0.682 1.00 0.00 H new ATOM 0 HG13 ILE A 31 1.156 6.482 -1.969 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -1.503 3.816 -1.889 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -0.546 2.677 -2.865 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -0.035 3.075 -1.208 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -0.754 7.266 -0.678 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -1.235 6.905 -2.353 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -1.637 5.766 -1.047 1.00 0.00 H new ATOM 497 N LEU A 32 1.505 2.843 -4.987 1.00 0.00 N ATOM 498 CA LEU A 32 1.522 1.625 -5.793 1.00 0.00 C ATOM 499 C LEU A 32 2.936 1.051 -5.952 1.00 0.00 C ATOM 500 O LEU A 32 3.115 -0.159 -5.978 1.00 0.00 O ATOM 501 CB LEU A 32 0.891 1.889 -7.160 1.00 0.00 C ATOM 502 CG LEU A 32 -0.632 2.053 -7.142 1.00 0.00 C ATOM 503 CD1 LEU A 32 -1.129 2.611 -8.464 1.00 0.00 C ATOM 504 CD2 LEU A 32 -1.286 0.713 -6.869 1.00 0.00 C ATOM 0 H LEU A 32 1.243 3.683 -5.503 1.00 0.00 H new ATOM 0 HA LEU A 32 0.933 0.876 -5.264 1.00 0.00 H new ATOM 0 HB2 LEU A 32 1.335 2.791 -7.582 1.00 0.00 H new ATOM 0 HB3 LEU A 32 1.146 1.066 -7.828 1.00 0.00 H new ATOM 0 HG LEU A 32 -0.897 2.755 -6.351 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -2.213 2.719 -8.429 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -0.673 3.585 -8.642 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -0.858 1.930 -9.271 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -2.369 0.833 -6.857 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -1.008 0.006 -7.651 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -0.952 0.335 -5.903 1.00 0.00 H new ATOM 516 N GLU A 33 3.926 1.928 -6.086 1.00 0.00 N ATOM 517 CA GLU A 33 5.325 1.515 -6.258 1.00 0.00 C ATOM 518 C GLU A 33 5.903 0.790 -5.043 1.00 0.00 C ATOM 519 O GLU A 33 6.724 -0.109 -5.199 1.00 0.00 O ATOM 520 CB GLU A 33 6.213 2.715 -6.593 1.00 0.00 C ATOM 521 CG GLU A 33 5.984 3.273 -7.986 1.00 0.00 C ATOM 522 CD GLU A 33 6.749 4.559 -8.237 1.00 0.00 C ATOM 523 OE1 GLU A 33 7.245 5.158 -7.258 1.00 0.00 O ATOM 524 OE2 GLU A 33 6.851 4.968 -9.412 1.00 0.00 O ATOM 0 H GLU A 33 3.789 2.939 -6.079 1.00 0.00 H new ATOM 0 HA GLU A 33 5.318 0.808 -7.087 1.00 0.00 H new ATOM 0 HB2 GLU A 33 6.035 3.503 -5.862 1.00 0.00 H new ATOM 0 HB3 GLU A 33 7.258 2.421 -6.496 1.00 0.00 H new ATOM 0 HG2 GLU A 33 6.282 2.528 -8.724 1.00 0.00 H new ATOM 0 HG3 GLU A 33 4.919 3.455 -8.129 1.00 0.00 H new ATOM 531 N LYS A 34 5.523 1.197 -3.837 1.00 0.00 N ATOM 532 CA LYS A 34 6.080 0.566 -2.642 1.00 0.00 C ATOM 533 C LYS A 34 5.038 -0.205 -1.832 1.00 0.00 C ATOM 534 O LYS A 34 5.230 -1.380 -1.526 1.00 0.00 O ATOM 535 CB LYS A 34 6.739 1.625 -1.749 1.00 0.00 C ATOM 536 CG LYS A 34 7.810 2.451 -2.451 1.00 0.00 C ATOM 537 CD LYS A 34 8.980 1.589 -2.907 1.00 0.00 C ATOM 538 CE LYS A 34 10.058 2.426 -3.577 1.00 0.00 C ATOM 539 NZ LYS A 34 10.643 3.431 -2.647 1.00 0.00 N ATOM 0 H LYS A 34 4.849 1.942 -3.660 1.00 0.00 H new ATOM 0 HA LYS A 34 6.820 -0.156 -2.986 1.00 0.00 H new ATOM 0 HB2 LYS A 34 5.968 2.296 -1.370 1.00 0.00 H new ATOM 0 HB3 LYS A 34 7.184 1.131 -0.886 1.00 0.00 H new ATOM 0 HG2 LYS A 34 7.373 2.956 -3.312 1.00 0.00 H new ATOM 0 HG3 LYS A 34 8.171 3.227 -1.776 1.00 0.00 H new ATOM 0 HD2 LYS A 34 9.404 1.066 -2.050 1.00 0.00 H new ATOM 0 HD3 LYS A 34 8.624 0.828 -3.601 1.00 0.00 H new ATOM 0 HE2 LYS A 34 10.847 1.772 -3.947 1.00 0.00 H new ATOM 0 HE3 LYS A 34 9.635 2.936 -4.443 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 11.520 3.813 -3.056 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 9.964 4.205 -2.500 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 10.855 2.978 -1.735 1.00 0.00 H new ATOM 553 N GLU A 35 3.944 0.461 -1.489 1.00 0.00 N ATOM 554 CA GLU A 35 2.890 -0.148 -0.678 1.00 0.00 C ATOM 555 C GLU A 35 2.170 -1.303 -1.385 1.00 0.00 C ATOM 556 O GLU A 35 1.885 -2.325 -0.761 1.00 0.00 O ATOM 557 CB GLU A 35 1.875 0.922 -0.254 1.00 0.00 C ATOM 558 CG GLU A 35 2.420 1.915 0.765 1.00 0.00 C ATOM 559 CD GLU A 35 2.864 1.252 2.056 1.00 0.00 C ATOM 560 OE1 GLU A 35 2.079 0.461 2.618 1.00 0.00 O ATOM 561 OE2 GLU A 35 3.998 1.527 2.501 1.00 0.00 O ATOM 0 H GLU A 35 3.760 1.427 -1.759 1.00 0.00 H new ATOM 0 HA GLU A 35 3.377 -0.576 0.199 1.00 0.00 H new ATOM 0 HB2 GLU A 35 1.545 1.467 -1.138 1.00 0.00 H new ATOM 0 HB3 GLU A 35 0.996 0.431 0.165 1.00 0.00 H new ATOM 0 HG2 GLU A 35 3.263 2.450 0.328 1.00 0.00 H new ATOM 0 HG3 GLU A 35 1.653 2.657 0.988 1.00 0.00 H new ATOM 568 N PHE A 36 1.872 -1.153 -2.675 1.00 0.00 N ATOM 569 CA PHE A 36 1.158 -2.207 -3.402 1.00 0.00 C ATOM 570 C PHE A 36 1.902 -2.701 -4.641 1.00 0.00 C ATOM 571 O PHE A 36 1.272 -3.128 -5.615 1.00 0.00 O ATOM 572 CB PHE A 36 -0.247 -1.736 -3.783 1.00 0.00 C ATOM 573 CG PHE A 36 -1.148 -1.538 -2.597 1.00 0.00 C ATOM 574 CD1 PHE A 36 -1.244 -0.302 -1.982 1.00 0.00 C ATOM 575 CD2 PHE A 36 -1.893 -2.592 -2.096 1.00 0.00 C ATOM 576 CE1 PHE A 36 -2.065 -0.119 -0.887 1.00 0.00 C ATOM 577 CE2 PHE A 36 -2.718 -2.415 -1.002 1.00 0.00 C ATOM 578 CZ PHE A 36 -2.803 -1.177 -0.397 1.00 0.00 C ATOM 0 H PHE A 36 2.107 -0.331 -3.231 1.00 0.00 H new ATOM 0 HA PHE A 36 1.091 -3.056 -2.721 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -0.172 -0.799 -4.334 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -0.698 -2.466 -4.455 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -0.670 0.530 -2.363 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -1.829 -3.563 -2.565 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -2.129 0.850 -0.415 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -3.296 -3.244 -0.621 1.00 0.00 H new ATOM 0 HZ PHE A 36 -3.446 -1.037 0.459 1.00 0.00 H new ATOM 588 N LYS A 37 3.230 -2.639 -4.613 1.00 0.00 N ATOM 589 CA LYS A 37 4.036 -3.094 -5.745 1.00 0.00 C ATOM 590 C LYS A 37 3.792 -4.572 -6.042 1.00 0.00 C ATOM 591 O LYS A 37 3.898 -5.423 -5.158 1.00 0.00 O ATOM 592 CB LYS A 37 5.524 -2.867 -5.465 1.00 0.00 C ATOM 593 CG LYS A 37 6.389 -2.812 -6.718 1.00 0.00 C ATOM 594 CD LYS A 37 6.998 -4.167 -7.048 1.00 0.00 C ATOM 595 CE LYS A 37 7.946 -4.073 -8.233 1.00 0.00 C ATOM 596 NZ LYS A 37 8.571 -5.386 -8.552 1.00 0.00 N ATOM 0 H LYS A 37 3.770 -2.281 -3.825 1.00 0.00 H new ATOM 0 HA LYS A 37 3.738 -2.512 -6.617 1.00 0.00 H new ATOM 0 HB2 LYS A 37 5.641 -1.934 -4.914 1.00 0.00 H new ATOM 0 HB3 LYS A 37 5.888 -3.666 -4.820 1.00 0.00 H new ATOM 0 HG2 LYS A 37 5.787 -2.470 -7.560 1.00 0.00 H new ATOM 0 HG3 LYS A 37 7.185 -2.081 -6.578 1.00 0.00 H new ATOM 0 HD2 LYS A 37 7.535 -4.548 -6.179 1.00 0.00 H new ATOM 0 HD3 LYS A 37 6.204 -4.880 -7.270 1.00 0.00 H new ATOM 0 HE2 LYS A 37 7.402 -3.709 -9.105 1.00 0.00 H new ATOM 0 HE3 LYS A 37 8.726 -3.343 -8.016 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 9.210 -5.278 -9.366 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 9.112 -5.722 -7.730 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 7.829 -6.077 -8.784 1.00 0.00 H new ATOM 610 N GLY A 38 3.468 -4.868 -7.297 1.00 0.00 N ATOM 611 CA GLY A 38 3.230 -6.240 -7.703 1.00 0.00 C ATOM 612 C GLY A 38 1.782 -6.671 -7.573 1.00 0.00 C ATOM 613 O GLY A 38 1.418 -7.756 -8.023 1.00 0.00 O ATOM 0 H GLY A 38 3.366 -4.179 -8.042 1.00 0.00 H new ATOM 0 HA2 GLY A 38 3.545 -6.363 -8.739 1.00 0.00 H new ATOM 0 HA3 GLY A 38 3.852 -6.901 -7.100 1.00 0.00 H new ATOM 617 N VAL A 39 0.943 -5.834 -6.964 1.00 0.00 N ATOM 618 CA VAL A 39 -0.463 -6.185 -6.799 1.00 0.00 C ATOM 619 C VAL A 39 -1.357 -5.380 -7.741 1.00 0.00 C ATOM 620 O VAL A 39 -2.237 -5.941 -8.399 1.00 0.00 O ATOM 621 CB VAL A 39 -0.942 -6.002 -5.339 1.00 0.00 C ATOM 622 CG1 VAL A 39 -2.411 -6.383 -5.194 1.00 0.00 C ATOM 623 CG2 VAL A 39 -0.078 -6.815 -4.386 1.00 0.00 C ATOM 0 H VAL A 39 1.207 -4.925 -6.584 1.00 0.00 H new ATOM 0 HA VAL A 39 -0.546 -7.241 -7.054 1.00 0.00 H new ATOM 0 HB VAL A 39 -0.841 -4.948 -5.080 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -2.722 -6.245 -4.158 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -3.017 -5.750 -5.842 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -2.546 -7.427 -5.477 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -0.431 -6.673 -3.364 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -0.141 -7.871 -4.648 1.00 0.00 H new ATOM 0 HG23 VAL A 39 0.958 -6.484 -4.462 1.00 0.00 H new ATOM 633 N TYR A 40 -1.136 -4.072 -7.824 1.00 0.00 N ATOM 634 CA TYR A 40 -1.965 -3.248 -8.698 1.00 0.00 C ATOM 635 C TYR A 40 -1.153 -2.666 -9.852 1.00 0.00 C ATOM 636 O TYR A 40 0.003 -2.278 -9.682 1.00 0.00 O ATOM 637 CB TYR A 40 -2.616 -2.110 -7.913 1.00 0.00 C ATOM 638 CG TYR A 40 -4.107 -2.217 -7.694 1.00 0.00 C ATOM 639 CD1 TYR A 40 -4.624 -2.615 -6.467 1.00 0.00 C ATOM 640 CD2 TYR A 40 -4.996 -1.874 -8.701 1.00 0.00 C ATOM 641 CE1 TYR A 40 -5.988 -2.666 -6.254 1.00 0.00 C ATOM 642 CE2 TYR A 40 -6.360 -1.929 -8.498 1.00 0.00 C ATOM 643 CZ TYR A 40 -6.851 -2.323 -7.273 1.00 0.00 C ATOM 644 OH TYR A 40 -8.209 -2.364 -7.064 1.00 0.00 O ATOM 0 H TYR A 40 -0.411 -3.570 -7.312 1.00 0.00 H new ATOM 0 HA TYR A 40 -2.741 -3.894 -9.108 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -2.131 -2.044 -6.939 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -2.413 -1.174 -8.434 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -3.950 -2.888 -5.669 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -4.615 -1.558 -9.661 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -6.376 -2.973 -5.294 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -7.039 -1.665 -9.295 1.00 0.00 H new ATOM 0 HH TYR A 40 -8.565 -1.451 -7.045 1.00 0.00 H new ATOM 654 N ALA A 41 -1.773 -2.609 -11.026 1.00 0.00 N ATOM 655 CA ALA A 41 -1.138 -2.041 -12.206 1.00 0.00 C ATOM 656 C ALA A 41 -1.697 -0.642 -12.449 1.00 0.00 C ATOM 657 O ALA A 41 -2.916 -0.462 -12.496 1.00 0.00 O ATOM 658 CB ALA A 41 -1.372 -2.933 -13.418 1.00 0.00 C ATOM 0 H ALA A 41 -2.720 -2.952 -11.184 1.00 0.00 H new ATOM 0 HA ALA A 41 -0.062 -1.974 -12.044 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -0.891 -2.494 -14.292 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -0.951 -3.920 -13.230 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -2.443 -3.024 -13.601 1.00 0.00 H new ATOM 664 N LEU A 42 -0.823 0.347 -12.603 1.00 0.00 N ATOM 665 CA LEU A 42 -1.276 1.722 -12.806 1.00 0.00 C ATOM 666 C LEU A 42 -1.272 2.140 -14.271 1.00 0.00 C ATOM 667 O LEU A 42 -0.266 2.026 -14.973 1.00 0.00 O ATOM 668 CB LEU A 42 -0.425 2.704 -11.989 1.00 0.00 C ATOM 669 CG LEU A 42 -0.720 4.191 -12.235 1.00 0.00 C ATOM 670 CD1 LEU A 42 -2.160 4.531 -11.877 1.00 0.00 C ATOM 671 CD2 LEU A 42 0.243 5.065 -11.447 1.00 0.00 C ATOM 0 H LEU A 42 0.190 0.227 -12.592 1.00 0.00 H new ATOM 0 HA LEU A 42 -2.309 1.754 -12.460 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -0.572 2.492 -10.930 1.00 0.00 H new ATOM 0 HB3 LEU A 42 0.626 2.518 -12.209 1.00 0.00 H new ATOM 0 HG LEU A 42 -0.580 4.389 -13.298 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -2.340 5.590 -12.061 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -2.837 3.936 -12.489 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -2.335 4.311 -10.824 1.00 0.00 H new ATOM 0 HD21 LEU A 42 0.018 6.115 -11.634 1.00 0.00 H new ATOM 0 HD22 LEU A 42 0.137 4.856 -10.383 1.00 0.00 H new ATOM 0 HD23 LEU A 42 1.266 4.852 -11.758 1.00 0.00 H new ATOM 683 N LYS A 43 -2.426 2.624 -14.710 1.00 0.00 N ATOM 684 CA LYS A 43 -2.611 3.120 -16.063 1.00 0.00 C ATOM 685 C LYS A 43 -3.137 4.552 -15.996 1.00 0.00 C ATOM 686 O LYS A 43 -3.976 4.872 -15.160 1.00 0.00 O ATOM 687 CB LYS A 43 -3.591 2.238 -16.838 1.00 0.00 C ATOM 688 CG LYS A 43 -2.957 1.445 -17.967 1.00 0.00 C ATOM 689 CD LYS A 43 -2.574 0.041 -17.533 1.00 0.00 C ATOM 690 CE LYS A 43 -2.555 -0.907 -18.719 1.00 0.00 C ATOM 691 NZ LYS A 43 -3.918 -1.409 -19.051 1.00 0.00 N ATOM 0 H LYS A 43 -3.264 2.683 -14.132 1.00 0.00 H new ATOM 0 HA LYS A 43 -1.654 3.098 -16.585 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -4.065 1.544 -16.144 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -4.381 2.867 -17.250 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -3.652 1.388 -18.805 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -2.070 1.969 -18.324 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -1.592 0.058 -17.060 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -3.282 -0.319 -16.786 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -2.135 -0.396 -19.586 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -1.901 -1.751 -18.499 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -3.862 -2.053 -19.866 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -4.309 -1.919 -18.233 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -4.536 -0.606 -19.286 1.00 0.00 H new ATOM 705 N VAL A 44 -2.631 5.411 -16.866 1.00 0.00 N ATOM 706 CA VAL A 44 -3.047 6.810 -16.898 1.00 0.00 C ATOM 707 C VAL A 44 -3.630 7.170 -18.248 1.00 0.00 C ATOM 708 O VAL A 44 -3.073 6.846 -19.299 1.00 0.00 O ATOM 709 CB VAL A 44 -1.875 7.762 -16.553 1.00 0.00 C ATOM 710 CG1 VAL A 44 -0.648 7.459 -17.401 1.00 0.00 C ATOM 711 CG2 VAL A 44 -2.286 9.221 -16.699 1.00 0.00 C ATOM 0 H VAL A 44 -1.928 5.166 -17.564 1.00 0.00 H new ATOM 0 HA VAL A 44 -3.818 6.934 -16.138 1.00 0.00 H new ATOM 0 HB VAL A 44 -1.612 7.590 -15.509 1.00 0.00 H new ATOM 0 HG11 VAL A 44 0.157 8.144 -17.135 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -0.326 6.433 -17.221 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -0.895 7.582 -18.455 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -1.442 9.864 -16.450 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -2.595 9.411 -17.727 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -3.116 9.434 -16.025 1.00 0.00 H new ATOM 721 N ILE A 45 -4.774 7.833 -18.200 1.00 0.00 N ATOM 722 CA ILE A 45 -5.472 8.242 -19.390 1.00 0.00 C ATOM 723 C ILE A 45 -5.506 9.765 -19.469 1.00 0.00 C ATOM 724 O ILE A 45 -6.246 10.419 -18.728 1.00 0.00 O ATOM 725 CB ILE A 45 -6.919 7.699 -19.360 1.00 0.00 C ATOM 726 CG1 ILE A 45 -6.924 6.189 -19.083 1.00 0.00 C ATOM 727 CG2 ILE A 45 -7.665 8.011 -20.656 1.00 0.00 C ATOM 728 CD1 ILE A 45 -6.181 5.361 -20.110 1.00 0.00 C ATOM 0 H ILE A 45 -5.238 8.099 -17.331 1.00 0.00 H new ATOM 0 HA ILE A 45 -4.953 7.844 -20.262 1.00 0.00 H new ATOM 0 HB ILE A 45 -7.443 8.204 -18.549 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -6.483 6.011 -18.102 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -7.957 5.844 -19.035 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -8.678 7.614 -20.597 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -7.706 9.090 -20.801 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -7.143 7.552 -21.496 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -6.235 4.307 -19.836 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -6.635 5.505 -21.091 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -5.137 5.674 -20.144 1.00 0.00 H new ATOM 740 N ASP A 46 -4.682 10.325 -20.343 1.00 0.00 N ATOM 741 CA ASP A 46 -4.646 11.772 -20.536 1.00 0.00 C ATOM 742 C ASP A 46 -5.846 12.184 -21.387 1.00 0.00 C ATOM 743 O ASP A 46 -5.832 12.022 -22.609 1.00 0.00 O ATOM 744 CB ASP A 46 -3.342 12.183 -21.232 1.00 0.00 C ATOM 745 CG ASP A 46 -3.138 13.690 -21.274 1.00 0.00 C ATOM 746 OD1 ASP A 46 -4.079 14.440 -20.929 1.00 0.00 O ATOM 747 OD2 ASP A 46 -2.032 14.122 -21.655 1.00 0.00 O ATOM 0 H ASP A 46 -4.030 9.803 -20.929 1.00 0.00 H new ATOM 0 HA ASP A 46 -4.690 12.271 -19.568 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -2.500 11.723 -20.715 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -3.342 11.794 -22.250 1.00 0.00 H new ATOM 752 N VAL A 47 -6.871 12.724 -20.739 1.00 0.00 N ATOM 753 CA VAL A 47 -8.100 13.111 -21.433 1.00 0.00 C ATOM 754 C VAL A 47 -7.907 14.276 -22.413 1.00 0.00 C ATOM 755 O VAL A 47 -8.569 14.322 -23.449 1.00 0.00 O ATOM 756 CB VAL A 47 -9.227 13.446 -20.430 1.00 0.00 C ATOM 757 CG1 VAL A 47 -9.501 12.251 -19.524 1.00 0.00 C ATOM 758 CG2 VAL A 47 -8.889 14.677 -19.600 1.00 0.00 C ATOM 0 H VAL A 47 -6.879 12.905 -19.735 1.00 0.00 H new ATOM 0 HA VAL A 47 -8.389 12.242 -22.025 1.00 0.00 H new ATOM 0 HB VAL A 47 -10.127 13.670 -21.002 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -10.297 12.501 -18.823 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -9.806 11.398 -20.130 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -8.596 11.999 -18.971 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -9.704 14.883 -18.906 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -7.972 14.497 -19.040 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -8.749 15.533 -20.260 1.00 0.00 H new ATOM 768 N LEU A 48 -7.021 15.219 -22.093 1.00 0.00 N ATOM 769 CA LEU A 48 -6.778 16.356 -22.987 1.00 0.00 C ATOM 770 C LEU A 48 -6.044 15.932 -24.255 1.00 0.00 C ATOM 771 O LEU A 48 -6.310 16.453 -25.338 1.00 0.00 O ATOM 772 CB LEU A 48 -6.012 17.481 -22.286 1.00 0.00 C ATOM 773 CG LEU A 48 -6.804 18.242 -21.220 1.00 0.00 C ATOM 774 CD1 LEU A 48 -5.913 19.250 -20.510 1.00 0.00 C ATOM 775 CD2 LEU A 48 -8.006 18.940 -21.842 1.00 0.00 C ATOM 0 H LEU A 48 -6.467 15.222 -21.237 1.00 0.00 H new ATOM 0 HA LEU A 48 -7.758 16.739 -23.271 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -5.121 17.058 -21.821 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -5.672 18.191 -23.039 1.00 0.00 H new ATOM 0 HG LEU A 48 -7.166 17.523 -20.485 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -6.494 19.781 -19.756 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -5.085 18.729 -20.030 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -5.521 19.963 -21.235 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -8.556 19.475 -21.068 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -7.665 19.646 -22.599 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -8.658 18.199 -22.304 1.00 0.00 H new ATOM 787 N LYS A 49 -5.112 14.992 -24.111 1.00 0.00 N ATOM 788 CA LYS A 49 -4.335 14.505 -25.248 1.00 0.00 C ATOM 789 C LYS A 49 -5.212 13.673 -26.180 1.00 0.00 C ATOM 790 O LYS A 49 -5.110 13.777 -27.403 1.00 0.00 O ATOM 791 CB LYS A 49 -3.147 13.670 -24.759 1.00 0.00 C ATOM 792 CG LYS A 49 -2.217 13.208 -25.871 1.00 0.00 C ATOM 793 CD LYS A 49 -1.465 14.376 -26.489 1.00 0.00 C ATOM 794 CE LYS A 49 -0.516 13.912 -27.580 1.00 0.00 C ATOM 795 NZ LYS A 49 0.533 12.994 -27.053 1.00 0.00 N ATOM 0 H LYS A 49 -4.877 14.554 -23.220 1.00 0.00 H new ATOM 0 HA LYS A 49 -3.959 15.365 -25.802 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -2.575 14.257 -24.041 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -3.524 12.796 -24.228 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -1.505 12.484 -25.474 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -2.795 12.697 -26.641 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -2.177 15.090 -26.904 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -0.903 14.899 -25.715 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -1.082 13.405 -28.362 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -0.042 14.778 -28.041 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 1.281 12.876 -27.766 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 0.942 13.396 -26.186 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 0.109 12.069 -26.839 1.00 0.00 H new ATOM 809 N ASN A 50 -6.077 12.850 -25.596 1.00 0.00 N ATOM 810 CA ASN A 50 -6.972 12.008 -26.382 1.00 0.00 C ATOM 811 C ASN A 50 -8.417 12.215 -25.963 1.00 0.00 C ATOM 812 O ASN A 50 -8.965 11.445 -25.171 1.00 0.00 O ATOM 813 CB ASN A 50 -6.606 10.533 -26.238 1.00 0.00 C ATOM 814 CG ASN A 50 -5.198 10.219 -26.710 1.00 0.00 C ATOM 815 OD1 ASN A 50 -4.352 9.787 -25.928 1.00 0.00 O ATOM 816 ND2 ASN A 50 -4.939 10.432 -27.993 1.00 0.00 N ATOM 0 H ASN A 50 -6.177 12.748 -24.586 1.00 0.00 H new ATOM 0 HA ASN A 50 -6.859 12.298 -27.427 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -6.706 10.241 -25.193 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -7.316 9.932 -26.806 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -4.010 10.237 -28.365 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -5.669 10.791 -28.608 1.00 0.00 H new ATOM 823 N PRO A 51 -9.050 13.262 -26.507 1.00 0.00 N ATOM 824 CA PRO A 51 -10.443 13.606 -26.202 1.00 0.00 C ATOM 825 C PRO A 51 -11.416 12.487 -26.565 1.00 0.00 C ATOM 826 O PRO A 51 -12.435 12.298 -25.902 1.00 0.00 O ATOM 827 CB PRO A 51 -10.695 14.850 -27.063 1.00 0.00 C ATOM 828 CG PRO A 51 -9.333 15.394 -27.332 1.00 0.00 C ATOM 829 CD PRO A 51 -8.461 14.193 -27.482 1.00 0.00 C ATOM 0 HA PRO A 51 -10.600 13.772 -25.136 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -11.211 14.595 -27.988 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -11.317 15.576 -26.540 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -9.323 16.004 -28.235 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -8.993 16.029 -26.514 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -8.488 13.793 -28.496 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -7.418 14.415 -27.255 1.00 0.00 H new ATOM 837 N GLN A 52 -11.087 11.755 -27.626 1.00 0.00 N ATOM 838 CA GLN A 52 -11.916 10.648 -28.091 1.00 0.00 C ATOM 839 C GLN A 52 -12.000 9.567 -27.033 1.00 0.00 C ATOM 840 O GLN A 52 -13.074 9.032 -26.770 1.00 0.00 O ATOM 841 CB GLN A 52 -11.341 10.059 -29.384 1.00 0.00 C ATOM 842 CG GLN A 52 -12.206 8.971 -30.003 1.00 0.00 C ATOM 843 CD GLN A 52 -11.596 8.390 -31.264 1.00 0.00 C ATOM 844 OE1 GLN A 52 -10.475 7.886 -31.247 1.00 0.00 O ATOM 845 NE2 GLN A 52 -12.332 8.458 -32.365 1.00 0.00 N ATOM 0 H GLN A 52 -10.247 11.910 -28.183 1.00 0.00 H new ATOM 0 HA GLN A 52 -12.918 11.031 -28.287 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -11.209 10.861 -30.110 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -10.352 9.650 -29.177 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -12.357 8.173 -29.275 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -13.189 9.381 -30.235 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -13.258 8.885 -32.334 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -11.972 8.083 -33.243 1.00 0.00 H new ATOM 854 N LEU A 53 -10.869 9.269 -26.404 1.00 0.00 N ATOM 855 CA LEU A 53 -10.833 8.239 -25.380 1.00 0.00 C ATOM 856 C LEU A 53 -11.582 8.708 -24.142 1.00 0.00 C ATOM 857 O LEU A 53 -12.259 7.920 -23.477 1.00 0.00 O ATOM 858 CB LEU A 53 -9.395 7.845 -25.043 1.00 0.00 C ATOM 859 CG LEU A 53 -8.634 7.177 -26.191 1.00 0.00 C ATOM 860 CD1 LEU A 53 -7.192 6.907 -25.795 1.00 0.00 C ATOM 861 CD2 LEU A 53 -9.326 5.892 -26.618 1.00 0.00 C ATOM 0 H LEU A 53 -9.974 9.723 -26.585 1.00 0.00 H new ATOM 0 HA LEU A 53 -11.329 7.349 -25.766 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -8.850 8.737 -24.733 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -9.408 7.167 -24.190 1.00 0.00 H new ATOM 0 HG LEU A 53 -8.630 7.860 -27.041 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -6.669 6.432 -26.625 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -6.700 7.848 -25.547 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -7.170 6.247 -24.928 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -8.769 5.433 -27.435 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -9.367 5.203 -25.774 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -10.339 6.118 -26.951 1.00 0.00 H new ATOM 873 N ALA A 54 -11.455 10.002 -23.836 1.00 0.00 N ATOM 874 CA ALA A 54 -12.141 10.587 -22.696 1.00 0.00 C ATOM 875 C ALA A 54 -13.647 10.517 -22.899 1.00 0.00 C ATOM 876 O ALA A 54 -14.396 10.212 -21.976 1.00 0.00 O ATOM 877 CB ALA A 54 -11.708 12.030 -22.493 1.00 0.00 C ATOM 0 H ALA A 54 -10.882 10.659 -24.366 1.00 0.00 H new ATOM 0 HA ALA A 54 -11.876 10.018 -21.805 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -12.233 12.450 -21.635 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -10.633 12.066 -22.314 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -11.947 12.610 -23.384 1.00 0.00 H new ATOM 883 N GLU A 55 -14.075 10.812 -24.126 1.00 0.00 N ATOM 884 CA GLU A 55 -15.486 10.768 -24.495 1.00 0.00 C ATOM 885 C GLU A 55 -16.005 9.335 -24.454 1.00 0.00 C ATOM 886 O GLU A 55 -17.139 9.092 -24.044 1.00 0.00 O ATOM 887 CB GLU A 55 -15.704 11.368 -25.887 1.00 0.00 C ATOM 888 CG GLU A 55 -17.170 11.430 -26.300 1.00 0.00 C ATOM 889 CD GLU A 55 -17.371 12.063 -27.664 1.00 0.00 C ATOM 890 OE1 GLU A 55 -16.364 12.447 -28.298 1.00 0.00 O ATOM 891 OE2 GLU A 55 -18.536 12.173 -28.098 1.00 0.00 O ATOM 0 H GLU A 55 -13.455 11.087 -24.888 1.00 0.00 H new ATOM 0 HA GLU A 55 -16.043 11.364 -23.772 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -15.286 12.374 -25.910 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -15.153 10.777 -26.619 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -17.583 10.421 -26.308 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -17.729 11.997 -25.556 1.00 0.00 H new ATOM 898 N GLU A 56 -15.166 8.393 -24.885 1.00 0.00 N ATOM 899 CA GLU A 56 -15.540 6.982 -24.900 1.00 0.00 C ATOM 900 C GLU A 56 -15.861 6.497 -23.486 1.00 0.00 C ATOM 901 O GLU A 56 -16.807 5.736 -23.288 1.00 0.00 O ATOM 902 CB GLU A 56 -14.414 6.139 -25.506 1.00 0.00 C ATOM 903 CG GLU A 56 -14.202 6.369 -26.999 1.00 0.00 C ATOM 904 CD GLU A 56 -15.433 6.056 -27.827 1.00 0.00 C ATOM 905 OE1 GLU A 56 -16.010 4.964 -27.643 1.00 0.00 O ATOM 906 OE2 GLU A 56 -15.817 6.902 -28.661 1.00 0.00 O ATOM 0 H GLU A 56 -14.224 8.583 -25.228 1.00 0.00 H new ATOM 0 HA GLU A 56 -16.432 6.869 -25.516 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -13.485 6.359 -24.979 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -14.633 5.084 -25.339 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -13.914 7.407 -27.164 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -13.373 5.750 -27.342 1.00 0.00 H new ATOM 913 N ASP A 57 -15.075 6.935 -22.503 1.00 0.00 N ATOM 914 CA ASP A 57 -15.327 6.551 -21.114 1.00 0.00 C ATOM 915 C ASP A 57 -16.118 7.637 -20.383 1.00 0.00 C ATOM 916 O ASP A 57 -16.292 7.571 -19.166 1.00 0.00 O ATOM 917 CB ASP A 57 -14.027 6.222 -20.364 1.00 0.00 C ATOM 918 CG ASP A 57 -13.398 4.915 -20.803 1.00 0.00 C ATOM 919 OD1 ASP A 57 -14.076 4.127 -21.497 1.00 0.00 O ATOM 920 OD2 ASP A 57 -12.223 4.676 -20.449 1.00 0.00 O ATOM 0 H ASP A 57 -14.270 7.547 -22.638 1.00 0.00 H new ATOM 0 HA ASP A 57 -15.928 5.642 -21.134 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -13.312 7.031 -20.517 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -14.234 6.177 -19.295 1.00 0.00 H new ATOM 925 N LYS A 58 -16.595 8.625 -21.150 1.00 0.00 N ATOM 926 CA LYS A 58 -17.402 9.737 -20.627 1.00 0.00 C ATOM 927 C LYS A 58 -16.753 10.427 -19.428 1.00 0.00 C ATOM 928 O LYS A 58 -17.385 10.624 -18.389 1.00 0.00 O ATOM 929 CB LYS A 58 -18.810 9.253 -20.270 1.00 0.00 C ATOM 930 CG LYS A 58 -19.603 8.765 -21.474 1.00 0.00 C ATOM 931 CD LYS A 58 -20.997 8.305 -21.075 1.00 0.00 C ATOM 932 CE LYS A 58 -21.773 7.778 -22.272 1.00 0.00 C ATOM 933 NZ LYS A 58 -21.989 8.832 -23.302 1.00 0.00 N ATOM 0 H LYS A 58 -16.432 8.677 -22.156 1.00 0.00 H new ATOM 0 HA LYS A 58 -17.467 10.481 -21.421 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -18.735 8.446 -19.542 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -19.355 10.066 -19.790 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -19.680 9.566 -22.209 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -19.071 7.943 -21.953 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -20.921 7.525 -20.317 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -21.540 9.136 -20.625 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -21.232 6.942 -22.716 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -22.737 7.393 -21.939 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -22.686 8.499 -23.999 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -22.342 9.697 -22.845 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -21.090 9.037 -23.783 1.00 0.00 H new ATOM 947 N ILE A 59 -15.491 10.800 -19.583 1.00 0.00 N ATOM 948 CA ILE A 59 -14.760 11.469 -18.517 1.00 0.00 C ATOM 949 C ILE A 59 -14.973 12.979 -18.590 1.00 0.00 C ATOM 950 O ILE A 59 -14.414 13.657 -19.454 1.00 0.00 O ATOM 951 CB ILE A 59 -13.251 11.157 -18.603 1.00 0.00 C ATOM 952 CG1 ILE A 59 -13.024 9.644 -18.634 1.00 0.00 C ATOM 953 CG2 ILE A 59 -12.500 11.787 -17.437 1.00 0.00 C ATOM 954 CD1 ILE A 59 -13.559 8.924 -17.415 1.00 0.00 C ATOM 0 H ILE A 59 -14.952 10.651 -20.436 1.00 0.00 H new ATOM 0 HA ILE A 59 -15.142 11.097 -17.566 1.00 0.00 H new ATOM 0 HB ILE A 59 -12.863 11.587 -19.526 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -13.498 9.233 -19.525 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -11.955 9.447 -18.721 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -11.438 11.553 -17.519 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -12.636 12.868 -17.458 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -12.887 11.391 -16.498 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -13.362 7.856 -17.508 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -13.067 9.308 -16.521 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -14.634 9.089 -17.337 1.00 0.00 H new ATOM 966 N LEU A 60 -15.793 13.499 -17.681 1.00 0.00 N ATOM 967 CA LEU A 60 -16.089 14.928 -17.642 1.00 0.00 C ATOM 968 C LEU A 60 -15.410 15.612 -16.456 1.00 0.00 C ATOM 969 O LEU A 60 -15.590 16.809 -16.238 1.00 0.00 O ATOM 970 CB LEU A 60 -17.602 15.154 -17.575 1.00 0.00 C ATOM 971 CG LEU A 60 -18.402 14.581 -18.748 1.00 0.00 C ATOM 972 CD1 LEU A 60 -19.892 14.795 -18.533 1.00 0.00 C ATOM 973 CD2 LEU A 60 -17.958 15.213 -20.061 1.00 0.00 C ATOM 0 H LEU A 60 -16.265 12.952 -16.961 1.00 0.00 H new ATOM 0 HA LEU A 60 -15.696 15.371 -18.557 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -17.978 14.714 -16.651 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -17.790 16.226 -17.517 1.00 0.00 H new ATOM 0 HG LEU A 60 -18.211 13.509 -18.801 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -20.444 14.381 -19.377 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -20.203 14.295 -17.616 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -20.098 15.862 -18.452 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -18.539 14.792 -20.882 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -18.118 16.290 -20.018 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -16.900 15.009 -20.223 1.00 0.00 H new ATOM 985 N ALA A 61 -14.629 14.852 -15.693 1.00 0.00 N ATOM 986 CA ALA A 61 -13.944 15.401 -14.528 1.00 0.00 C ATOM 987 C ALA A 61 -12.559 14.787 -14.355 1.00 0.00 C ATOM 988 O ALA A 61 -12.329 13.637 -14.726 1.00 0.00 O ATOM 989 CB ALA A 61 -14.776 15.176 -13.271 1.00 0.00 C ATOM 0 H ALA A 61 -14.456 13.861 -15.859 1.00 0.00 H new ATOM 0 HA ALA A 61 -13.820 16.472 -14.689 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -14.253 15.591 -12.409 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -15.742 15.669 -13.381 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -14.929 14.107 -13.123 1.00 0.00 H new ATOM 995 N THR A 62 -11.645 15.572 -13.794 1.00 0.00 N ATOM 996 CA THR A 62 -10.279 15.135 -13.545 1.00 0.00 C ATOM 997 C THR A 62 -9.732 15.815 -12.291 1.00 0.00 C ATOM 998 O THR A 62 -10.061 16.969 -12.014 1.00 0.00 O ATOM 999 CB THR A 62 -9.336 15.479 -14.724 1.00 0.00 C ATOM 1000 OG1 THR A 62 -9.437 16.873 -15.039 1.00 0.00 O ATOM 1001 CG2 THR A 62 -9.643 14.650 -15.964 1.00 0.00 C ATOM 0 H THR A 62 -11.833 16.530 -13.499 1.00 0.00 H new ATOM 0 HA THR A 62 -10.311 14.053 -13.420 1.00 0.00 H new ATOM 0 HB THR A 62 -8.320 15.241 -14.410 1.00 0.00 H new ATOM 0 HG1 THR A 62 -9.736 16.978 -15.966 1.00 0.00 H new ATOM 0 HG21 THR A 62 -8.957 14.925 -16.765 1.00 0.00 H new ATOM 0 HG22 THR A 62 -9.524 13.591 -15.733 1.00 0.00 H new ATOM 0 HG23 THR A 62 -10.668 14.839 -16.283 1.00 0.00 H new ATOM 1009 N PRO A 63 -8.889 15.113 -11.519 1.00 0.00 N ATOM 1010 CA PRO A 63 -8.507 13.729 -11.794 1.00 0.00 C ATOM 1011 C PRO A 63 -9.596 12.747 -11.360 1.00 0.00 C ATOM 1012 O PRO A 63 -10.320 12.993 -10.394 1.00 0.00 O ATOM 1013 CB PRO A 63 -7.234 13.526 -10.952 1.00 0.00 C ATOM 1014 CG PRO A 63 -6.909 14.872 -10.381 1.00 0.00 C ATOM 1015 CD PRO A 63 -8.210 15.616 -10.324 1.00 0.00 C ATOM 0 HA PRO A 63 -8.354 13.549 -12.858 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -7.400 12.795 -10.161 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -6.414 13.152 -11.565 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -6.467 14.780 -9.389 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -6.185 15.397 -11.004 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -8.768 15.397 -9.413 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -8.066 16.696 -10.358 1.00 0.00 H new ATOM 1023 N THR A 64 -9.702 11.636 -12.070 1.00 0.00 N ATOM 1024 CA THR A 64 -10.680 10.608 -11.731 1.00 0.00 C ATOM 1025 C THR A 64 -9.964 9.282 -11.521 1.00 0.00 C ATOM 1026 O THR A 64 -9.176 8.846 -12.363 1.00 0.00 O ATOM 1027 CB THR A 64 -11.780 10.442 -12.804 1.00 0.00 C ATOM 1028 OG1 THR A 64 -12.484 11.677 -12.974 1.00 0.00 O ATOM 1029 CG2 THR A 64 -12.776 9.356 -12.417 1.00 0.00 C ATOM 0 H THR A 64 -9.126 11.420 -12.883 1.00 0.00 H new ATOM 0 HA THR A 64 -11.178 10.926 -10.815 1.00 0.00 H new ATOM 0 HB THR A 64 -11.293 10.153 -13.735 1.00 0.00 H new ATOM 0 HG1 THR A 64 -12.144 12.141 -13.767 1.00 0.00 H new ATOM 0 HG21 THR A 64 -13.536 9.266 -13.193 1.00 0.00 H new ATOM 0 HG22 THR A 64 -12.254 8.405 -12.308 1.00 0.00 H new ATOM 0 HG23 THR A 64 -13.252 9.619 -11.472 1.00 0.00 H new ATOM 1037 N LEU A 65 -10.240 8.654 -10.392 1.00 0.00 N ATOM 1038 CA LEU A 65 -9.629 7.384 -10.039 1.00 0.00 C ATOM 1039 C LEU A 65 -10.625 6.256 -10.282 1.00 0.00 C ATOM 1040 O LEU A 65 -11.694 6.244 -9.688 1.00 0.00 O ATOM 1041 CB LEU A 65 -9.227 7.426 -8.561 1.00 0.00 C ATOM 1042 CG LEU A 65 -8.307 6.305 -8.088 1.00 0.00 C ATOM 1043 CD1 LEU A 65 -6.932 6.469 -8.707 1.00 0.00 C ATOM 1044 CD2 LEU A 65 -8.206 6.295 -6.570 1.00 0.00 C ATOM 0 H LEU A 65 -10.894 9.009 -9.694 1.00 0.00 H new ATOM 0 HA LEU A 65 -8.745 7.208 -10.652 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -8.736 8.379 -8.365 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -10.134 7.404 -7.957 1.00 0.00 H new ATOM 0 HG LEU A 65 -8.728 5.352 -8.407 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -6.281 5.665 -8.365 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -7.015 6.431 -9.793 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -6.511 7.429 -8.409 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -7.545 5.488 -6.255 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -7.805 7.248 -6.226 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -9.196 6.142 -6.140 1.00 0.00 H new ATOM 1056 N ALA A 66 -10.297 5.316 -11.160 1.00 0.00 N ATOM 1057 CA ALA A 66 -11.212 4.212 -11.439 1.00 0.00 C ATOM 1058 C ALA A 66 -10.478 2.897 -11.662 1.00 0.00 C ATOM 1059 O ALA A 66 -9.433 2.845 -12.311 1.00 0.00 O ATOM 1060 CB ALA A 66 -12.083 4.523 -12.647 1.00 0.00 C ATOM 0 H ALA A 66 -9.422 5.293 -11.683 1.00 0.00 H new ATOM 0 HA ALA A 66 -11.843 4.099 -10.557 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -12.756 3.687 -12.835 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -12.667 5.422 -12.452 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -11.450 4.683 -13.520 1.00 0.00 H new ATOM 1066 N LYS A 67 -11.050 1.834 -11.111 1.00 0.00 N ATOM 1067 CA LYS A 67 -10.505 0.501 -11.258 1.00 0.00 C ATOM 1068 C LYS A 67 -11.306 -0.204 -12.336 1.00 0.00 C ATOM 1069 O LYS A 67 -12.452 -0.595 -12.108 1.00 0.00 O ATOM 1070 CB LYS A 67 -10.596 -0.263 -9.926 1.00 0.00 C ATOM 1071 CG LYS A 67 -10.093 -1.704 -9.979 1.00 0.00 C ATOM 1072 CD LYS A 67 -11.242 -2.703 -10.009 1.00 0.00 C ATOM 1073 CE LYS A 67 -11.390 -3.431 -8.684 1.00 0.00 C ATOM 1074 NZ LYS A 67 -12.520 -4.401 -8.710 1.00 0.00 N ATOM 0 H LYS A 67 -11.902 1.877 -10.552 1.00 0.00 H new ATOM 0 HA LYS A 67 -9.453 0.545 -11.538 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -10.025 0.279 -9.173 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -11.635 -0.267 -9.596 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -9.470 -1.839 -10.863 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -9.462 -1.901 -9.112 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -12.170 -2.182 -10.244 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -11.073 -3.428 -10.805 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -10.464 -3.958 -8.453 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -11.552 -2.706 -7.887 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -12.304 -5.203 -8.084 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -13.388 -3.931 -8.383 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -12.658 -4.747 -9.681 1.00 0.00 H new ATOM 1088 N VAL A 68 -10.723 -0.346 -13.510 1.00 0.00 N ATOM 1089 CA VAL A 68 -11.419 -0.979 -14.615 1.00 0.00 C ATOM 1090 C VAL A 68 -11.362 -2.496 -14.527 1.00 0.00 C ATOM 1091 O VAL A 68 -12.271 -3.184 -14.995 1.00 0.00 O ATOM 1092 CB VAL A 68 -10.860 -0.512 -15.972 1.00 0.00 C ATOM 1093 CG1 VAL A 68 -11.118 0.974 -16.171 1.00 0.00 C ATOM 1094 CG2 VAL A 68 -9.373 -0.820 -16.083 1.00 0.00 C ATOM 0 H VAL A 68 -9.776 -0.034 -13.724 1.00 0.00 H new ATOM 0 HA VAL A 68 -12.463 -0.673 -14.542 1.00 0.00 H new ATOM 0 HB VAL A 68 -11.377 -1.060 -16.760 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -10.717 1.287 -17.135 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -12.191 1.164 -16.146 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -10.631 1.538 -15.375 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -9.002 -0.481 -17.050 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -8.834 -0.306 -15.287 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -9.216 -1.895 -15.991 1.00 0.00 H new ATOM 1104 N LEU A 69 -10.303 -3.020 -13.921 1.00 0.00 N ATOM 1105 CA LEU A 69 -10.155 -4.468 -13.800 1.00 0.00 C ATOM 1106 C LEU A 69 -9.699 -4.865 -12.402 1.00 0.00 C ATOM 1107 O LEU A 69 -8.836 -4.209 -11.823 1.00 0.00 O ATOM 1108 CB LEU A 69 -9.147 -4.993 -14.833 1.00 0.00 C ATOM 1109 CG LEU A 69 -9.525 -4.775 -16.302 1.00 0.00 C ATOM 1110 CD1 LEU A 69 -8.368 -5.154 -17.212 1.00 0.00 C ATOM 1111 CD2 LEU A 69 -10.766 -5.578 -16.663 1.00 0.00 C ATOM 0 H LEU A 69 -9.544 -2.475 -13.511 1.00 0.00 H new ATOM 0 HA LEU A 69 -11.133 -4.913 -13.986 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -8.185 -4.515 -14.650 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -9.008 -6.061 -14.667 1.00 0.00 H new ATOM 0 HG LEU A 69 -9.746 -3.717 -16.443 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -8.655 -4.993 -18.251 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -7.501 -4.537 -16.975 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -8.117 -6.204 -17.064 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -11.017 -5.409 -17.710 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -10.572 -6.639 -16.503 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -11.599 -5.263 -16.035 1.00 0.00 H new ATOM 1123 N PRO A 70 -10.263 -5.953 -11.841 1.00 0.00 N ATOM 1124 CA PRO A 70 -11.307 -6.752 -12.496 1.00 0.00 C ATOM 1125 C PRO A 70 -12.705 -6.134 -12.345 1.00 0.00 C ATOM 1126 O PRO A 70 -12.967 -5.417 -11.377 1.00 0.00 O ATOM 1127 CB PRO A 70 -11.223 -8.081 -11.747 1.00 0.00 C ATOM 1128 CG PRO A 70 -10.812 -7.697 -10.366 1.00 0.00 C ATOM 1129 CD PRO A 70 -9.901 -6.504 -10.519 1.00 0.00 C ATOM 0 HA PRO A 70 -11.157 -6.832 -13.573 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -12.182 -8.600 -11.748 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -10.497 -8.752 -12.206 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -11.680 -7.449 -9.755 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -10.297 -8.520 -9.869 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -10.060 -5.775 -9.724 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -8.851 -6.794 -10.480 1.00 0.00 H new ATOM 1137 N PRO A 71 -13.613 -6.394 -13.309 1.00 0.00 N ATOM 1138 CA PRO A 71 -14.995 -5.888 -13.266 1.00 0.00 C ATOM 1139 C PRO A 71 -15.758 -6.404 -12.042 1.00 0.00 C ATOM 1140 O PRO A 71 -15.451 -7.485 -11.536 1.00 0.00 O ATOM 1141 CB PRO A 71 -15.624 -6.439 -14.553 1.00 0.00 C ATOM 1142 CG PRO A 71 -14.467 -6.723 -15.443 1.00 0.00 C ATOM 1143 CD PRO A 71 -13.366 -7.176 -14.530 1.00 0.00 C ATOM 0 HA PRO A 71 -15.027 -4.801 -13.194 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -16.204 -7.341 -14.356 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -16.303 -5.715 -15.004 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -14.713 -7.493 -16.174 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -14.174 -5.834 -16.002 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -13.413 -8.248 -14.340 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -12.382 -6.970 -14.950 1.00 0.00 H new ATOM 1151 N PRO A 72 -16.775 -5.664 -11.547 1.00 0.00 N ATOM 1152 CA PRO A 72 -17.228 -4.371 -12.101 1.00 0.00 C ATOM 1153 C PRO A 72 -16.225 -3.234 -11.908 1.00 0.00 C ATOM 1154 O PRO A 72 -15.360 -3.291 -11.036 1.00 0.00 O ATOM 1155 CB PRO A 72 -18.516 -4.069 -11.318 1.00 0.00 C ATOM 1156 CG PRO A 72 -18.887 -5.357 -10.662 1.00 0.00 C ATOM 1157 CD PRO A 72 -17.588 -6.051 -10.387 1.00 0.00 C ATOM 0 HA PRO A 72 -17.361 -4.441 -13.181 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -18.353 -3.284 -10.580 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -19.308 -3.723 -11.982 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -19.442 -5.183 -9.740 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -19.525 -5.959 -11.310 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -17.141 -5.721 -9.449 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -17.711 -7.132 -10.319 1.00 0.00 H new ATOM 1165 N VAL A 73 -16.361 -2.197 -12.733 1.00 0.00 N ATOM 1166 CA VAL A 73 -15.483 -1.034 -12.663 1.00 0.00 C ATOM 1167 C VAL A 73 -15.829 -0.171 -11.447 1.00 0.00 C ATOM 1168 O VAL A 73 -16.980 0.225 -11.260 1.00 0.00 O ATOM 1169 CB VAL A 73 -15.593 -0.180 -13.950 1.00 0.00 C ATOM 1170 CG1 VAL A 73 -14.719 1.065 -13.863 1.00 0.00 C ATOM 1171 CG2 VAL A 73 -15.229 -1.008 -15.175 1.00 0.00 C ATOM 0 H VAL A 73 -17.074 -2.140 -13.460 1.00 0.00 H new ATOM 0 HA VAL A 73 -14.459 -1.396 -12.567 1.00 0.00 H new ATOM 0 HB VAL A 73 -16.628 0.146 -14.048 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -14.818 1.644 -14.781 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -15.035 1.673 -13.015 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -13.678 0.770 -13.730 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -15.312 -0.391 -16.069 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -14.206 -1.370 -15.078 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -15.908 -1.857 -15.255 1.00 0.00 H new ATOM 1181 N ARG A 74 -14.823 0.114 -10.626 1.00 0.00 N ATOM 1182 CA ARG A 74 -15.012 0.923 -9.425 1.00 0.00 C ATOM 1183 C ARG A 74 -14.441 2.316 -9.612 1.00 0.00 C ATOM 1184 O ARG A 74 -13.250 2.481 -9.855 1.00 0.00 O ATOM 1185 CB ARG A 74 -14.354 0.236 -8.220 1.00 0.00 C ATOM 1186 CG ARG A 74 -14.277 1.103 -6.968 1.00 0.00 C ATOM 1187 CD ARG A 74 -15.659 1.454 -6.434 1.00 0.00 C ATOM 1188 NE ARG A 74 -16.386 0.273 -5.973 1.00 0.00 N ATOM 1189 CZ ARG A 74 -17.655 0.296 -5.576 1.00 0.00 C ATOM 1190 NH1 ARG A 74 -18.333 1.438 -5.581 1.00 0.00 N ATOM 1191 NH2 ARG A 74 -18.246 -0.821 -5.172 1.00 0.00 N ATOM 0 H ARG A 74 -13.865 -0.204 -10.771 1.00 0.00 H new ATOM 0 HA ARG A 74 -16.082 1.018 -9.241 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -14.910 -0.672 -7.986 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -13.346 -0.071 -8.498 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -13.713 0.578 -6.197 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -13.732 2.019 -7.194 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -15.560 2.162 -5.612 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -16.234 1.951 -7.216 1.00 0.00 H new ATOM 0 HE ARG A 74 -15.892 -0.619 -5.955 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -17.880 2.298 -5.890 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -19.306 1.455 -5.276 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -17.727 -1.699 -5.166 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -19.219 -0.802 -4.868 1.00 0.00 H new ATOM 1205 N ARG A 75 -15.296 3.319 -9.491 1.00 0.00 N ATOM 1206 CA ARG A 75 -14.861 4.693 -9.636 1.00 0.00 C ATOM 1207 C ARG A 75 -14.760 5.355 -8.272 1.00 0.00 C ATOM 1208 O ARG A 75 -15.713 5.358 -7.492 1.00 0.00 O ATOM 1209 CB ARG A 75 -15.808 5.479 -10.533 1.00 0.00 C ATOM 1210 CG ARG A 75 -15.858 4.969 -11.963 1.00 0.00 C ATOM 1211 CD ARG A 75 -16.720 5.864 -12.834 1.00 0.00 C ATOM 1212 NE ARG A 75 -16.783 5.393 -14.217 1.00 0.00 N ATOM 1213 CZ ARG A 75 -17.634 4.463 -14.646 1.00 0.00 C ATOM 1214 NH1 ARG A 75 -18.494 3.904 -13.802 1.00 0.00 N ATOM 1215 NH2 ARG A 75 -17.627 4.096 -15.920 1.00 0.00 N ATOM 0 H ARG A 75 -16.290 3.205 -9.294 1.00 0.00 H new ATOM 0 HA ARG A 75 -13.877 4.689 -10.106 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -16.811 5.442 -10.108 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -15.503 6.525 -10.540 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -14.848 4.923 -12.371 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -16.254 3.953 -11.976 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -17.728 5.909 -12.421 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -16.322 6.879 -12.815 1.00 0.00 H new ATOM 0 HE ARG A 75 -16.137 5.801 -14.893 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -18.504 4.187 -12.822 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -19.145 3.192 -14.134 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -16.970 4.526 -16.571 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -18.279 3.384 -16.249 1.00 0.00 H new ATOM 1229 N ILE A 76 -13.598 5.915 -8.001 1.00 0.00 N ATOM 1230 CA ILE A 76 -13.336 6.585 -6.738 1.00 0.00 C ATOM 1231 C ILE A 76 -13.211 8.093 -6.966 1.00 0.00 C ATOM 1232 O ILE A 76 -12.322 8.548 -7.688 1.00 0.00 O ATOM 1233 CB ILE A 76 -12.044 6.047 -6.091 1.00 0.00 C ATOM 1234 CG1 ILE A 76 -12.147 4.531 -5.909 1.00 0.00 C ATOM 1235 CG2 ILE A 76 -11.784 6.731 -4.752 1.00 0.00 C ATOM 1236 CD1 ILE A 76 -10.874 3.894 -5.416 1.00 0.00 C ATOM 0 H ILE A 76 -12.809 5.920 -8.647 1.00 0.00 H new ATOM 0 HA ILE A 76 -14.169 6.387 -6.064 1.00 0.00 H new ATOM 0 HB ILE A 76 -11.204 6.268 -6.750 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -12.949 4.312 -5.204 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -12.425 4.078 -6.860 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -10.868 6.336 -4.314 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -11.679 7.805 -4.906 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -12.620 6.541 -4.078 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -11.022 2.819 -5.311 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -10.073 4.082 -6.131 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -10.605 4.320 -4.449 1.00 0.00 H new ATOM 1248 N ILE A 77 -14.103 8.869 -6.355 1.00 0.00 N ATOM 1249 CA ILE A 77 -14.084 10.320 -6.515 1.00 0.00 C ATOM 1250 C ILE A 77 -13.890 11.017 -5.170 1.00 0.00 C ATOM 1251 O ILE A 77 -14.627 10.763 -4.216 1.00 0.00 O ATOM 1252 CB ILE A 77 -15.381 10.837 -7.179 1.00 0.00 C ATOM 1253 CG1 ILE A 77 -15.695 10.036 -8.446 1.00 0.00 C ATOM 1254 CG2 ILE A 77 -15.262 12.320 -7.513 1.00 0.00 C ATOM 1255 CD1 ILE A 77 -16.874 9.101 -8.297 1.00 0.00 C ATOM 0 H ILE A 77 -14.844 8.519 -5.748 1.00 0.00 H new ATOM 0 HA ILE A 77 -13.242 10.556 -7.166 1.00 0.00 H new ATOM 0 HB ILE A 77 -16.199 10.705 -6.470 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -15.893 10.729 -9.264 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -14.816 9.456 -8.726 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -16.185 12.663 -7.979 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -15.085 12.886 -6.598 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -14.430 12.473 -8.200 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -17.036 8.568 -9.234 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -16.671 8.384 -7.502 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -17.766 9.676 -8.048 1.00 0.00 H new ATOM 1267 N GLY A 78 -12.889 11.889 -5.099 1.00 0.00 N ATOM 1268 CA GLY A 78 -12.611 12.611 -3.872 1.00 0.00 C ATOM 1269 C GLY A 78 -11.283 13.337 -3.935 1.00 0.00 C ATOM 1270 O GLY A 78 -10.705 13.480 -5.014 1.00 0.00 O ATOM 0 H GLY A 78 -12.263 12.109 -5.874 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -13.409 13.329 -3.684 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -12.605 11.914 -3.034 1.00 0.00 H new ATOM 1274 N ASP A 79 -10.794 13.796 -2.788 1.00 0.00 N ATOM 1275 CA ASP A 79 -9.516 14.499 -2.737 1.00 0.00 C ATOM 1276 C ASP A 79 -8.381 13.482 -2.702 1.00 0.00 C ATOM 1277 O ASP A 79 -8.084 12.904 -1.658 1.00 0.00 O ATOM 1278 CB ASP A 79 -9.446 15.411 -1.507 1.00 0.00 C ATOM 1279 CG ASP A 79 -8.172 16.235 -1.457 1.00 0.00 C ATOM 1280 OD1 ASP A 79 -7.451 16.287 -2.479 1.00 0.00 O ATOM 1281 OD2 ASP A 79 -7.893 16.828 -0.395 1.00 0.00 O ATOM 0 H ASP A 79 -11.259 13.695 -1.886 1.00 0.00 H new ATOM 0 HA ASP A 79 -9.420 15.122 -3.626 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -10.306 16.080 -1.507 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -9.516 14.803 -0.605 1.00 0.00 H new ATOM 1286 N LEU A 80 -7.741 13.284 -3.847 1.00 0.00 N ATOM 1287 CA LEU A 80 -6.659 12.313 -3.959 1.00 0.00 C ATOM 1288 C LEU A 80 -5.294 12.927 -3.652 1.00 0.00 C ATOM 1289 O LEU A 80 -4.279 12.236 -3.700 1.00 0.00 O ATOM 1290 CB LEU A 80 -6.638 11.707 -5.365 1.00 0.00 C ATOM 1291 CG LEU A 80 -7.913 10.974 -5.787 1.00 0.00 C ATOM 1292 CD1 LEU A 80 -7.800 10.510 -7.230 1.00 0.00 C ATOM 1293 CD2 LEU A 80 -8.185 9.791 -4.868 1.00 0.00 C ATOM 0 H LEU A 80 -7.952 13.782 -4.712 1.00 0.00 H new ATOM 0 HA LEU A 80 -6.850 11.536 -3.219 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -6.444 12.505 -6.082 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -5.802 11.011 -5.429 1.00 0.00 H new ATOM 0 HG LEU A 80 -8.751 11.667 -5.707 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -8.714 9.990 -7.518 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -7.654 11.373 -7.879 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -6.951 9.834 -7.329 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -9.096 9.285 -5.187 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -7.348 9.095 -4.914 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -8.306 10.146 -3.844 1.00 0.00 H new ATOM 1305 N SER A 81 -5.263 14.223 -3.360 1.00 0.00 N ATOM 1306 CA SER A 81 -4.004 14.894 -3.043 1.00 0.00 C ATOM 1307 C SER A 81 -3.465 14.405 -1.699 1.00 0.00 C ATOM 1308 O SER A 81 -2.278 14.536 -1.403 1.00 0.00 O ATOM 1309 CB SER A 81 -4.192 16.412 -3.022 1.00 0.00 C ATOM 1310 OG SER A 81 -4.626 16.889 -4.285 1.00 0.00 O ATOM 0 H SER A 81 -6.085 14.826 -3.336 1.00 0.00 H new ATOM 0 HA SER A 81 -3.279 14.649 -3.819 1.00 0.00 H new ATOM 0 HB2 SER A 81 -4.921 16.681 -2.258 1.00 0.00 H new ATOM 0 HB3 SER A 81 -3.253 16.894 -2.750 1.00 0.00 H new ATOM 0 HG SER A 81 -4.741 17.861 -4.246 1.00 0.00 H new ATOM 1316 N ASN A 82 -4.361 13.863 -0.880 1.00 0.00 N ATOM 1317 CA ASN A 82 -3.994 13.319 0.420 1.00 0.00 C ATOM 1318 C ASN A 82 -3.573 11.863 0.255 1.00 0.00 C ATOM 1319 O ASN A 82 -4.359 11.030 -0.206 1.00 0.00 O ATOM 1320 CB ASN A 82 -5.166 13.437 1.397 1.00 0.00 C ATOM 1321 CG ASN A 82 -4.828 12.959 2.802 1.00 0.00 C ATOM 1322 OD1 ASN A 82 -3.692 12.585 3.096 1.00 0.00 O ATOM 1323 ND2 ASN A 82 -5.820 12.967 3.682 1.00 0.00 N ATOM 0 H ASN A 82 -5.355 13.789 -1.098 1.00 0.00 H new ATOM 0 HA ASN A 82 -3.158 13.887 0.828 1.00 0.00 H new ATOM 0 HB2 ASN A 82 -5.489 14.477 1.442 1.00 0.00 H new ATOM 0 HB3 ASN A 82 -6.007 12.858 1.016 1.00 0.00 H new ATOM 0 HD21 ASN A 82 -5.655 12.656 4.639 1.00 0.00 H new ATOM 0 HD22 ASN A 82 -6.748 13.284 3.401 1.00 0.00 H new ATOM 1330 N ARG A 83 -2.332 11.565 0.634 1.00 0.00 N ATOM 1331 CA ARG A 83 -1.791 10.214 0.499 1.00 0.00 C ATOM 1332 C ARG A 83 -2.608 9.199 1.292 1.00 0.00 C ATOM 1333 O ARG A 83 -2.778 8.063 0.849 1.00 0.00 O ATOM 1334 CB ARG A 83 -0.320 10.162 0.922 1.00 0.00 C ATOM 1335 CG ARG A 83 0.628 10.849 -0.050 1.00 0.00 C ATOM 1336 CD ARG A 83 1.210 12.121 0.546 1.00 0.00 C ATOM 1337 NE ARG A 83 0.361 13.279 0.281 1.00 0.00 N ATOM 1338 CZ ARG A 83 0.428 14.420 0.960 1.00 0.00 C ATOM 1339 NH1 ARG A 83 1.305 14.558 1.947 1.00 0.00 N ATOM 1340 NH2 ARG A 83 -0.381 15.422 0.646 1.00 0.00 N ATOM 0 H ARG A 83 -1.682 12.240 1.037 1.00 0.00 H new ATOM 0 HA ARG A 83 -1.856 9.947 -0.556 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -0.218 10.627 1.903 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -0.020 9.120 1.030 1.00 0.00 H new ATOM 0 HG2 ARG A 83 1.436 10.167 -0.315 1.00 0.00 H new ATOM 0 HG3 ARG A 83 0.097 11.087 -0.971 1.00 0.00 H new ATOM 0 HD2 ARG A 83 1.330 11.997 1.622 1.00 0.00 H new ATOM 0 HD3 ARG A 83 2.203 12.296 0.132 1.00 0.00 H new ATOM 0 HE ARG A 83 -0.325 13.208 -0.471 1.00 0.00 H new ATOM 0 HH11 ARG A 83 1.929 13.788 2.186 1.00 0.00 H new ATOM 0 HH12 ARG A 83 1.354 15.434 2.466 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -1.052 15.316 -0.115 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -0.332 16.299 1.165 1.00 0.00 H new ATOM 1354 N GLU A 84 -3.114 9.597 2.458 1.00 0.00 N ATOM 1355 CA GLU A 84 -3.912 8.689 3.277 1.00 0.00 C ATOM 1356 C GLU A 84 -5.168 8.214 2.553 1.00 0.00 C ATOM 1357 O GLU A 84 -5.475 7.028 2.586 1.00 0.00 O ATOM 1358 CB GLU A 84 -4.299 9.351 4.599 1.00 0.00 C ATOM 1359 CG GLU A 84 -3.141 9.478 5.572 1.00 0.00 C ATOM 1360 CD GLU A 84 -3.476 10.340 6.773 1.00 0.00 C ATOM 1361 OE1 GLU A 84 -4.481 11.080 6.713 1.00 0.00 O ATOM 1362 OE2 GLU A 84 -2.732 10.275 7.773 1.00 0.00 O ATOM 0 H GLU A 84 -2.988 10.529 2.852 1.00 0.00 H new ATOM 0 HA GLU A 84 -3.290 7.816 3.477 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -4.703 10.343 4.395 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -5.095 8.772 5.067 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -2.848 8.485 5.913 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -2.282 9.903 5.054 1.00 0.00 H new ATOM 1369 N LYS A 85 -5.889 9.116 1.885 1.00 0.00 N ATOM 1370 CA LYS A 85 -7.100 8.706 1.171 1.00 0.00 C ATOM 1371 C LYS A 85 -6.769 7.766 0.020 1.00 0.00 C ATOM 1372 O LYS A 85 -7.478 6.786 -0.199 1.00 0.00 O ATOM 1373 CB LYS A 85 -7.905 9.900 0.659 1.00 0.00 C ATOM 1374 CG LYS A 85 -8.610 10.700 1.740 1.00 0.00 C ATOM 1375 CD LYS A 85 -9.378 11.862 1.128 1.00 0.00 C ATOM 1376 CE LYS A 85 -10.025 12.731 2.194 1.00 0.00 C ATOM 1377 NZ LYS A 85 -11.031 11.977 2.993 1.00 0.00 N ATOM 0 H LYS A 85 -5.665 10.109 1.823 1.00 0.00 H new ATOM 0 HA LYS A 85 -7.720 8.175 1.893 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -7.236 10.564 0.112 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -8.649 9.541 -0.052 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -9.294 10.054 2.291 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -7.880 11.076 2.457 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -8.702 12.468 0.525 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -10.146 11.478 0.456 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -9.255 13.124 2.858 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -10.506 13.588 1.721 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -11.544 12.634 3.615 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -11.704 11.510 2.352 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -10.548 11.259 3.571 1.00 0.00 H new ATOM 1391 N VAL A 86 -5.700 8.059 -0.712 1.00 0.00 N ATOM 1392 CA VAL A 86 -5.290 7.197 -1.815 1.00 0.00 C ATOM 1393 C VAL A 86 -4.905 5.813 -1.290 1.00 0.00 C ATOM 1394 O VAL A 86 -5.327 4.795 -1.835 1.00 0.00 O ATOM 1395 CB VAL A 86 -4.120 7.814 -2.619 1.00 0.00 C ATOM 1396 CG1 VAL A 86 -3.576 6.822 -3.637 1.00 0.00 C ATOM 1397 CG2 VAL A 86 -4.583 9.084 -3.314 1.00 0.00 C ATOM 0 H VAL A 86 -5.108 8.876 -0.565 1.00 0.00 H new ATOM 0 HA VAL A 86 -6.138 7.098 -2.492 1.00 0.00 H new ATOM 0 HB VAL A 86 -3.316 8.060 -1.925 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -2.755 7.280 -4.189 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -3.215 5.932 -3.121 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -4.368 6.542 -4.332 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -3.755 9.513 -3.878 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -5.402 8.849 -3.994 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -4.925 9.802 -2.569 1.00 0.00 H new ATOM 1407 N LEU A 87 -4.117 5.789 -0.216 1.00 0.00 N ATOM 1408 CA LEU A 87 -3.681 4.542 0.405 1.00 0.00 C ATOM 1409 C LEU A 87 -4.851 3.761 1.005 1.00 0.00 C ATOM 1410 O LEU A 87 -4.991 2.563 0.760 1.00 0.00 O ATOM 1411 CB LEU A 87 -2.635 4.849 1.482 1.00 0.00 C ATOM 1412 CG LEU A 87 -2.203 3.668 2.350 1.00 0.00 C ATOM 1413 CD1 LEU A 87 -1.528 2.590 1.514 1.00 0.00 C ATOM 1414 CD2 LEU A 87 -1.285 4.143 3.468 1.00 0.00 C ATOM 0 H LEU A 87 -3.765 6.628 0.245 1.00 0.00 H new ATOM 0 HA LEU A 87 -3.241 3.913 -0.369 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -1.750 5.260 0.995 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -3.031 5.628 2.134 1.00 0.00 H new ATOM 0 HG LEU A 87 -3.095 3.228 2.797 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -1.231 1.762 2.158 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -2.223 2.229 0.756 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -0.645 3.006 1.028 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -0.985 3.292 4.079 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -0.400 4.611 3.038 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -1.813 4.867 4.089 1.00 0.00 H new ATOM 1426 N ILE A 88 -5.690 4.440 1.781 1.00 0.00 N ATOM 1427 CA ILE A 88 -6.836 3.799 2.422 1.00 0.00 C ATOM 1428 C ILE A 88 -7.835 3.250 1.396 1.00 0.00 C ATOM 1429 O ILE A 88 -8.271 2.101 1.503 1.00 0.00 O ATOM 1430 CB ILE A 88 -7.533 4.771 3.398 1.00 0.00 C ATOM 1431 CG1 ILE A 88 -6.618 5.019 4.602 1.00 0.00 C ATOM 1432 CG2 ILE A 88 -8.885 4.227 3.850 1.00 0.00 C ATOM 1433 CD1 ILE A 88 -7.036 6.186 5.464 1.00 0.00 C ATOM 0 H ILE A 88 -5.599 5.436 1.982 1.00 0.00 H new ATOM 0 HA ILE A 88 -6.455 2.950 2.990 1.00 0.00 H new ATOM 0 HB ILE A 88 -7.719 5.714 2.884 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -6.591 4.119 5.216 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -5.603 5.191 4.244 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -9.351 4.934 4.536 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -9.529 4.086 2.982 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -8.742 3.272 4.355 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -6.337 6.294 6.294 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -7.035 7.098 4.867 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -8.038 6.009 5.854 1.00 0.00 H new ATOM 1445 N ALA A 89 -8.188 4.066 0.403 1.00 0.00 N ATOM 1446 CA ALA A 89 -9.130 3.640 -0.631 1.00 0.00 C ATOM 1447 C ALA A 89 -8.566 2.489 -1.461 1.00 0.00 C ATOM 1448 O ALA A 89 -9.278 1.536 -1.779 1.00 0.00 O ATOM 1449 CB ALA A 89 -9.514 4.809 -1.525 1.00 0.00 C ATOM 0 H ALA A 89 -7.839 5.018 0.293 1.00 0.00 H new ATOM 0 HA ALA A 89 -10.028 3.279 -0.130 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -10.215 4.469 -2.287 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -9.981 5.589 -0.924 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -8.621 5.208 -2.006 1.00 0.00 H new ATOM 1455 N LEU A 90 -7.282 2.583 -1.805 1.00 0.00 N ATOM 1456 CA LEU A 90 -6.619 1.547 -2.594 1.00 0.00 C ATOM 1457 C LEU A 90 -6.543 0.240 -1.800 1.00 0.00 C ATOM 1458 O LEU A 90 -6.735 -0.845 -2.354 1.00 0.00 O ATOM 1459 CB LEU A 90 -5.221 2.007 -3.023 1.00 0.00 C ATOM 1460 CG LEU A 90 -4.463 1.042 -3.927 1.00 0.00 C ATOM 1461 CD1 LEU A 90 -5.216 0.837 -5.235 1.00 0.00 C ATOM 1462 CD2 LEU A 90 -3.068 1.575 -4.190 1.00 0.00 C ATOM 0 H LEU A 90 -6.681 3.366 -1.549 1.00 0.00 H new ATOM 0 HA LEU A 90 -7.206 1.367 -3.494 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -5.314 2.963 -3.538 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -4.625 2.184 -2.128 1.00 0.00 H new ATOM 0 HG LEU A 90 -4.382 0.076 -3.428 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -4.662 0.145 -5.869 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -6.203 0.426 -5.026 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -5.323 1.793 -5.747 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -2.530 0.882 -4.837 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -3.136 2.548 -4.677 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -2.534 1.679 -3.245 1.00 0.00 H new ATOM 1474 N ARG A 91 -6.261 0.353 -0.500 1.00 0.00 N ATOM 1475 CA ARG A 91 -6.171 -0.807 0.387 1.00 0.00 C ATOM 1476 C ARG A 91 -7.509 -1.541 0.453 1.00 0.00 C ATOM 1477 O ARG A 91 -7.552 -2.771 0.393 1.00 0.00 O ATOM 1478 CB ARG A 91 -5.750 -0.362 1.791 1.00 0.00 C ATOM 1479 CG ARG A 91 -5.550 -1.511 2.770 1.00 0.00 C ATOM 1480 CD ARG A 91 -5.051 -1.014 4.118 1.00 0.00 C ATOM 1481 NE ARG A 91 -6.038 -0.171 4.791 1.00 0.00 N ATOM 1482 CZ ARG A 91 -5.796 0.496 5.915 1.00 0.00 C ATOM 1483 NH1 ARG A 91 -4.602 0.417 6.490 1.00 0.00 N ATOM 1484 NH2 ARG A 91 -6.748 1.239 6.465 1.00 0.00 N ATOM 0 H ARG A 91 -6.090 1.245 -0.036 1.00 0.00 H new ATOM 0 HA ARG A 91 -5.421 -1.489 -0.013 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -4.822 0.206 1.718 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -6.507 0.314 2.189 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -6.491 -2.045 2.903 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -4.836 -2.223 2.356 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -4.810 -1.867 4.752 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -4.128 -0.451 3.978 1.00 0.00 H new ATOM 0 HE ARG A 91 -6.965 -0.090 4.374 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -3.870 -0.156 6.069 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -4.416 0.929 7.353 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -7.666 1.299 6.025 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -6.561 1.750 7.328 1.00 0.00 H new ATOM 1498 N LEU A 92 -8.597 -0.783 0.577 1.00 0.00 N ATOM 1499 CA LEU A 92 -9.938 -1.363 0.639 1.00 0.00 C ATOM 1500 C LEU A 92 -10.257 -2.125 -0.648 1.00 0.00 C ATOM 1501 O LEU A 92 -10.831 -3.216 -0.609 1.00 0.00 O ATOM 1502 CB LEU A 92 -10.983 -0.268 0.886 1.00 0.00 C ATOM 1503 CG LEU A 92 -12.434 -0.748 0.980 1.00 0.00 C ATOM 1504 CD1 LEU A 92 -12.613 -1.702 2.151 1.00 0.00 C ATOM 1505 CD2 LEU A 92 -13.378 0.439 1.107 1.00 0.00 C ATOM 0 H LEU A 92 -8.576 0.235 0.637 1.00 0.00 H new ATOM 0 HA LEU A 92 -9.969 -2.067 1.470 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -10.729 0.249 1.811 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -10.913 0.464 0.082 1.00 0.00 H new ATOM 0 HG LEU A 92 -12.676 -1.287 0.064 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -13.652 -2.030 2.198 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -11.965 -2.568 2.017 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -12.351 -1.193 3.078 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -14.406 0.081 1.173 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -13.132 1.005 2.006 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -13.273 1.082 0.233 1.00 0.00 H new ATOM 1517 N LEU A 93 -9.878 -1.545 -1.784 1.00 0.00 N ATOM 1518 CA LEU A 93 -10.113 -2.175 -3.081 1.00 0.00 C ATOM 1519 C LEU A 93 -9.294 -3.459 -3.212 1.00 0.00 C ATOM 1520 O LEU A 93 -9.786 -4.473 -3.708 1.00 0.00 O ATOM 1521 CB LEU A 93 -9.757 -1.207 -4.216 1.00 0.00 C ATOM 1522 CG LEU A 93 -10.922 -0.377 -4.769 1.00 0.00 C ATOM 1523 CD1 LEU A 93 -11.939 -1.276 -5.452 1.00 0.00 C ATOM 1524 CD2 LEU A 93 -11.587 0.438 -3.670 1.00 0.00 C ATOM 0 H LEU A 93 -9.408 -0.641 -1.833 1.00 0.00 H new ATOM 0 HA LEU A 93 -11.171 -2.428 -3.152 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -8.986 -0.525 -3.859 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -9.322 -1.780 -5.035 1.00 0.00 H new ATOM 0 HG LEU A 93 -10.519 0.318 -5.506 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -12.759 -0.670 -5.838 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -11.461 -1.807 -6.275 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -12.328 -1.997 -4.733 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -12.409 1.016 -4.092 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -11.972 -0.233 -2.902 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -10.857 1.116 -3.227 1.00 0.00 H new ATOM 1536 N ALA A 94 -8.042 -3.404 -2.756 1.00 0.00 N ATOM 1537 CA ALA A 94 -7.145 -4.558 -2.806 1.00 0.00 C ATOM 1538 C ALA A 94 -7.668 -5.711 -1.958 1.00 0.00 C ATOM 1539 O ALA A 94 -7.546 -6.875 -2.342 1.00 0.00 O ATOM 1540 CB ALA A 94 -5.744 -4.167 -2.366 1.00 0.00 C ATOM 0 H ALA A 94 -7.625 -2.568 -2.346 1.00 0.00 H new ATOM 0 HA ALA A 94 -7.104 -4.899 -3.841 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -5.092 -5.039 -2.410 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -5.358 -3.392 -3.028 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -5.776 -3.789 -1.344 1.00 0.00 H new ATOM 1546 N GLU A 95 -8.242 -5.386 -0.800 1.00 0.00 N ATOM 1547 CA GLU A 95 -8.795 -6.396 0.096 1.00 0.00 C ATOM 1548 C GLU A 95 -9.926 -7.154 -0.589 1.00 0.00 C ATOM 1549 O GLU A 95 -10.067 -8.368 -0.419 1.00 0.00 O ATOM 1550 CB GLU A 95 -9.311 -5.738 1.376 1.00 0.00 C ATOM 1551 CG GLU A 95 -8.207 -5.216 2.285 1.00 0.00 C ATOM 1552 CD GLU A 95 -8.739 -4.390 3.440 1.00 0.00 C ATOM 1553 OE1 GLU A 95 -9.908 -3.956 3.372 1.00 0.00 O ATOM 1554 OE2 GLU A 95 -7.986 -4.181 4.414 1.00 0.00 O ATOM 0 H GLU A 95 -8.335 -4.428 -0.462 1.00 0.00 H new ATOM 0 HA GLU A 95 -8.004 -7.102 0.351 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -9.970 -4.912 1.109 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -9.913 -6.460 1.928 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -7.638 -6.058 2.678 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -7.516 -4.610 1.699 1.00 0.00 H new ATOM 1561 N GLU A 96 -10.733 -6.426 -1.355 1.00 0.00 N ATOM 1562 CA GLU A 96 -11.844 -7.020 -2.089 1.00 0.00 C ATOM 1563 C GLU A 96 -11.320 -8.028 -3.109 1.00 0.00 C ATOM 1564 O GLU A 96 -11.897 -9.100 -3.301 1.00 0.00 O ATOM 1565 CB GLU A 96 -12.638 -5.925 -2.806 1.00 0.00 C ATOM 1566 CG GLU A 96 -13.423 -5.024 -1.861 1.00 0.00 C ATOM 1567 CD GLU A 96 -14.096 -3.867 -2.575 1.00 0.00 C ATOM 1568 OE1 GLU A 96 -13.796 -3.648 -3.768 1.00 0.00 O ATOM 1569 OE2 GLU A 96 -14.924 -3.182 -1.941 1.00 0.00 O ATOM 0 H GLU A 96 -10.637 -5.419 -1.483 1.00 0.00 H new ATOM 0 HA GLU A 96 -12.497 -7.535 -1.384 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -11.951 -5.313 -3.391 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -13.329 -6.390 -3.509 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -14.179 -5.616 -1.346 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -12.751 -4.632 -1.098 1.00 0.00 H new ATOM 1576 N ILE A 97 -10.217 -7.660 -3.753 1.00 0.00 N ATOM 1577 CA ILE A 97 -9.574 -8.501 -4.756 1.00 0.00 C ATOM 1578 C ILE A 97 -9.014 -9.772 -4.122 1.00 0.00 C ATOM 1579 O ILE A 97 -9.179 -10.866 -4.656 1.00 0.00 O ATOM 1580 CB ILE A 97 -8.446 -7.719 -5.453 1.00 0.00 C ATOM 1581 CG1 ILE A 97 -9.052 -6.529 -6.185 1.00 0.00 C ATOM 1582 CG2 ILE A 97 -7.672 -8.610 -6.424 1.00 0.00 C ATOM 1583 CD1 ILE A 97 -8.036 -5.524 -6.640 1.00 0.00 C ATOM 0 H ILE A 97 -9.744 -6.770 -3.594 1.00 0.00 H new ATOM 0 HA ILE A 97 -10.322 -8.788 -5.495 1.00 0.00 H new ATOM 0 HB ILE A 97 -7.739 -7.368 -4.702 1.00 0.00 H new ATOM 0 HG12 ILE A 97 -9.607 -6.890 -7.051 1.00 0.00 H new ATOM 0 HG13 ILE A 97 -9.770 -6.036 -5.529 1.00 0.00 H new ATOM 0 HG21 ILE A 97 -6.882 -8.029 -6.900 1.00 0.00 H new ATOM 0 HG22 ILE A 97 -7.230 -9.444 -5.879 1.00 0.00 H new ATOM 0 HG23 ILE A 97 -8.351 -8.993 -7.186 1.00 0.00 H new ATOM 0 HD11 ILE A 97 -8.539 -4.705 -7.153 1.00 0.00 H new ATOM 0 HD12 ILE A 97 -7.497 -5.135 -5.776 1.00 0.00 H new ATOM 0 HD13 ILE A 97 -7.332 -6.001 -7.322 1.00 0.00 H new ATOM 1595 N GLY A 98 -8.351 -9.611 -2.977 1.00 0.00 N ATOM 1596 CA GLY A 98 -7.778 -10.747 -2.268 1.00 0.00 C ATOM 1597 C GLY A 98 -8.829 -11.743 -1.817 1.00 0.00 C ATOM 1598 O GLY A 98 -8.586 -12.949 -1.803 1.00 0.00 O ATOM 0 H GLY A 98 -8.200 -8.709 -2.525 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -7.060 -11.250 -2.916 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -7.227 -10.388 -1.399 1.00 0.00 H new ATOM 1602 N ASP A 99 -9.995 -11.227 -1.429 1.00 0.00 N ATOM 1603 CA ASP A 99 -11.109 -12.061 -0.980 1.00 0.00 C ATOM 1604 C ASP A 99 -11.594 -12.987 -2.095 1.00 0.00 C ATOM 1605 O ASP A 99 -11.931 -14.145 -1.851 1.00 0.00 O ATOM 1606 CB ASP A 99 -12.266 -11.188 -0.491 1.00 0.00 C ATOM 1607 CG ASP A 99 -13.392 -12.001 0.115 1.00 0.00 C ATOM 1608 OD1 ASP A 99 -13.167 -12.629 1.172 1.00 0.00 O ATOM 1609 OD2 ASP A 99 -14.498 -12.006 -0.464 1.00 0.00 O ATOM 0 H ASP A 99 -10.193 -10.226 -1.417 1.00 0.00 H new ATOM 0 HA ASP A 99 -10.750 -12.677 -0.155 1.00 0.00 H new ATOM 0 HB2 ASP A 99 -11.894 -10.480 0.250 1.00 0.00 H new ATOM 0 HB3 ASP A 99 -12.653 -10.603 -1.325 1.00 0.00 H new ATOM 1614 N TYR A 100 -11.637 -12.465 -3.317 1.00 0.00 N ATOM 1615 CA TYR A 100 -12.089 -13.240 -4.464 1.00 0.00 C ATOM 1616 C TYR A 100 -10.937 -14.052 -5.048 1.00 0.00 C ATOM 1617 O TYR A 100 -9.977 -13.500 -5.583 1.00 0.00 O ATOM 1618 CB TYR A 100 -12.675 -12.308 -5.531 1.00 0.00 C ATOM 1619 CG TYR A 100 -13.172 -13.025 -6.770 1.00 0.00 C ATOM 1620 CD1 TYR A 100 -14.364 -13.738 -6.752 1.00 0.00 C ATOM 1621 CD2 TYR A 100 -12.448 -12.985 -7.956 1.00 0.00 C ATOM 1622 CE1 TYR A 100 -14.820 -14.391 -7.881 1.00 0.00 C ATOM 1623 CE2 TYR A 100 -12.899 -13.636 -9.088 1.00 0.00 C ATOM 1624 CZ TYR A 100 -14.085 -14.338 -9.046 1.00 0.00 C ATOM 1625 OH TYR A 100 -14.536 -14.986 -10.171 1.00 0.00 O ATOM 0 H TYR A 100 -11.364 -11.507 -3.537 1.00 0.00 H new ATOM 0 HA TYR A 100 -12.865 -13.930 -4.133 1.00 0.00 H new ATOM 0 HB2 TYR A 100 -13.500 -11.745 -5.094 1.00 0.00 H new ATOM 0 HB3 TYR A 100 -11.915 -11.584 -5.823 1.00 0.00 H new ATOM 0 HD1 TYR A 100 -14.943 -13.783 -5.842 1.00 0.00 H new ATOM 0 HD2 TYR A 100 -11.518 -12.436 -7.993 1.00 0.00 H new ATOM 0 HE1 TYR A 100 -15.749 -14.941 -7.851 1.00 0.00 H new ATOM 0 HE2 TYR A 100 -12.325 -13.595 -10.002 1.00 0.00 H new ATOM 0 HH TYR A 100 -13.901 -14.848 -10.905 1.00 0.00 H new ATOM 1635 N LYS A 101 -11.048 -15.367 -4.949 1.00 0.00 N ATOM 1636 CA LYS A 101 -10.021 -16.260 -5.470 1.00 0.00 C ATOM 1637 C LYS A 101 -10.275 -16.570 -6.942 1.00 0.00 C ATOM 1638 O LYS A 101 -11.402 -16.865 -7.339 1.00 0.00 O ATOM 1639 CB LYS A 101 -9.985 -17.560 -4.659 1.00 0.00 C ATOM 1640 CG LYS A 101 -9.728 -17.351 -3.171 1.00 0.00 C ATOM 1641 CD LYS A 101 -8.350 -16.759 -2.907 1.00 0.00 C ATOM 1642 CE LYS A 101 -7.244 -17.749 -3.239 1.00 0.00 C ATOM 1643 NZ LYS A 101 -5.896 -17.211 -2.909 1.00 0.00 N ATOM 0 H LYS A 101 -11.839 -15.841 -4.513 1.00 0.00 H new ATOM 0 HA LYS A 101 -9.056 -15.761 -5.381 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -10.934 -18.082 -4.784 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -9.209 -18.209 -5.065 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -10.491 -16.690 -2.761 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -9.819 -18.304 -2.650 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -8.221 -15.855 -3.502 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -8.274 -16.465 -1.860 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -7.409 -18.675 -2.689 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -7.286 -17.997 -4.300 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -5.170 -17.759 -3.414 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -5.840 -16.214 -3.198 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -5.734 -17.284 -1.884 1.00 0.00 H new ATOM 1657 N ASP A 102 -9.220 -16.506 -7.748 1.00 0.00 N ATOM 1658 CA ASP A 102 -9.335 -16.777 -9.178 1.00 0.00 C ATOM 1659 C ASP A 102 -8.125 -17.555 -9.684 1.00 0.00 C ATOM 1660 O ASP A 102 -7.021 -17.015 -9.746 1.00 0.00 O ATOM 1661 CB ASP A 102 -9.471 -15.467 -9.960 1.00 0.00 C ATOM 1662 CG ASP A 102 -9.838 -15.696 -11.414 1.00 0.00 C ATOM 1663 OD1 ASP A 102 -10.362 -16.784 -11.732 1.00 0.00 O ATOM 1664 OD2 ASP A 102 -9.601 -14.785 -12.234 1.00 0.00 O ATOM 0 H ASP A 102 -8.278 -16.270 -7.437 1.00 0.00 H new ATOM 0 HA ASP A 102 -10.228 -17.382 -9.334 1.00 0.00 H new ATOM 0 HB2 ASP A 102 -10.232 -14.844 -9.490 1.00 0.00 H new ATOM 0 HB3 ASP A 102 -8.532 -14.917 -9.908 1.00 0.00 H new ATOM 1669 N ASP A 103 -8.349 -18.825 -10.039 1.00 0.00 N ATOM 1670 CA ASP A 103 -7.292 -19.704 -10.555 1.00 0.00 C ATOM 1671 C ASP A 103 -6.111 -19.797 -9.585 1.00 0.00 C ATOM 1672 O ASP A 103 -4.961 -19.585 -9.969 1.00 0.00 O ATOM 1673 CB ASP A 103 -6.807 -19.217 -11.926 1.00 0.00 C ATOM 1674 CG ASP A 103 -6.096 -20.303 -12.710 1.00 0.00 C ATOM 1675 OD1 ASP A 103 -6.330 -21.495 -12.419 1.00 0.00 O ATOM 1676 OD2 ASP A 103 -5.312 -19.962 -13.620 1.00 0.00 O ATOM 0 H ASP A 103 -9.264 -19.272 -9.977 1.00 0.00 H new ATOM 0 HA ASP A 103 -7.720 -20.701 -10.661 1.00 0.00 H new ATOM 0 HB2 ASP A 103 -7.659 -18.856 -12.502 1.00 0.00 H new ATOM 0 HB3 ASP A 103 -6.133 -18.371 -11.790 1.00 0.00 H new ATOM 1681 N ASP A 104 -6.408 -20.099 -8.322 1.00 0.00 N ATOM 1682 CA ASP A 104 -5.373 -20.220 -7.293 1.00 0.00 C ATOM 1683 C ASP A 104 -4.454 -21.414 -7.554 1.00 0.00 C ATOM 1684 O ASP A 104 -3.279 -21.395 -7.191 1.00 0.00 O ATOM 1685 CB ASP A 104 -6.010 -20.353 -5.907 1.00 0.00 C ATOM 1686 CG ASP A 104 -4.990 -20.259 -4.788 1.00 0.00 C ATOM 1687 OD1 ASP A 104 -4.375 -19.181 -4.635 1.00 0.00 O ATOM 1688 OD2 ASP A 104 -4.810 -21.259 -4.065 1.00 0.00 O ATOM 0 H ASP A 104 -7.356 -20.265 -7.985 1.00 0.00 H new ATOM 0 HA ASP A 104 -4.770 -19.313 -7.330 1.00 0.00 H new ATOM 0 HB2 ASP A 104 -6.759 -19.572 -5.778 1.00 0.00 H new ATOM 0 HB3 ASP A 104 -6.531 -21.308 -5.840 1.00 0.00 H new ATOM 1693 N ASP A 105 -4.994 -22.452 -8.184 1.00 0.00 N ATOM 1694 CA ASP A 105 -4.214 -23.649 -8.482 1.00 0.00 C ATOM 1695 C ASP A 105 -3.570 -23.548 -9.862 1.00 0.00 C ATOM 1696 O ASP A 105 -4.230 -23.771 -10.876 1.00 0.00 O ATOM 1697 CB ASP A 105 -5.099 -24.898 -8.413 1.00 0.00 C ATOM 1698 CG ASP A 105 -4.310 -26.184 -8.570 1.00 0.00 C ATOM 1699 OD1 ASP A 105 -3.084 -26.165 -8.327 1.00 0.00 O ATOM 1700 OD2 ASP A 105 -4.919 -27.211 -8.933 1.00 0.00 O ATOM 0 H ASP A 105 -5.964 -22.489 -8.497 1.00 0.00 H new ATOM 0 HA ASP A 105 -3.426 -23.730 -7.734 1.00 0.00 H new ATOM 0 HB2 ASP A 105 -5.625 -24.913 -7.458 1.00 0.00 H new ATOM 0 HB3 ASP A 105 -5.858 -24.844 -9.194 1.00 0.00 H new ATOM 1705 N LYS A 106 -2.277 -23.215 -9.881 1.00 0.00 N ATOM 1706 CA LYS A 106 -1.513 -23.084 -11.127 1.00 0.00 C ATOM 1707 C LYS A 106 -2.163 -22.081 -12.084 1.00 0.00 C ATOM 1708 O LYS A 106 -2.472 -20.956 -11.639 1.00 0.00 O ATOM 1709 CB LYS A 106 -1.360 -24.448 -11.811 1.00 0.00 C ATOM 1710 CG LYS A 106 -0.244 -25.303 -11.228 1.00 0.00 C ATOM 1711 CD LYS A 106 -0.229 -26.700 -11.831 1.00 0.00 C ATOM 1712 CE LYS A 106 0.179 -26.674 -13.297 1.00 0.00 C ATOM 1713 NZ LYS A 106 0.266 -28.043 -13.875 1.00 0.00 N ATOM 1714 OXT LYS A 106 -2.344 -22.425 -13.272 1.00 0.00 O ATOM 0 H LYS A 106 -1.732 -23.029 -9.039 1.00 0.00 H new ATOM 0 HA LYS A 106 -0.524 -22.706 -10.867 1.00 0.00 H new ATOM 0 HB2 LYS A 106 -2.301 -24.992 -11.732 1.00 0.00 H new ATOM 0 HB3 LYS A 106 -1.170 -24.293 -12.873 1.00 0.00 H new ATOM 0 HG2 LYS A 106 0.716 -24.819 -11.408 1.00 0.00 H new ATOM 0 HG3 LYS A 106 -0.368 -25.375 -10.147 1.00 0.00 H new ATOM 0 HD2 LYS A 106 0.462 -27.331 -11.272 1.00 0.00 H new ATOM 0 HD3 LYS A 106 -1.218 -27.148 -11.736 1.00 0.00 H new ATOM 0 HE2 LYS A 106 -0.543 -26.086 -13.864 1.00 0.00 H new ATOM 0 HE3 LYS A 106 1.144 -26.176 -13.396 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 0.547 -27.981 -14.874 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 0.973 -28.597 -13.351 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 -0.661 -28.509 -13.804 1.00 0.00 H new TER 1728 LYS A 106