USER MOD reduce.3.24.130724 H: found=0, std=0, add=828, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 821 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 67 TYR OH : rot -154:sc= 0.961 USER MOD Set 1.2: A 78 THR OG1 : rot -140:sc= 0 USER MOD Set 2.1: A 33 HIS : no HE2:sc= -5.27! C(o=-13!,f=-16!) USER MOD Set 2.2: A 102 SER OG : rot 170:sc= -7.41! USER MOD Set 3.1: A 19 THR OG1 : rot -97:sc= -0.603 USER MOD Set 3.2: A 31 ASN : amide:sc= -2.7! C(o=-3.3!,f=-3!) USER MOD Set 4.1: A -3 PHE N :NH3+ -120:sc= 1.22 (180deg=0) USER MOD Set 4.2: A 62 ASN : amide:sc= -5.04! K(o=-3.8!,f=-4.5) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ -114:sc= 1.22 (180deg=-0.839) USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A -2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 CYS SG : rot 180:sc= 0 USER MOD Single : A 16 GLN : amide:sc= -0.63 K(o=-0.63,f=-0.092) USER MOD Single : A 17 CYS SG : rot 180:sc= -2.45 USER MOD Single : A 18 HIS : no HE2:sc= 0.723 K(o=0.72,f=-2.6!) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 HIS : no HD1:sc= -4.8! C(o=-4.8!,f=-3.6!) USER MOD Single : A 27 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.0249) USER MOD Single : A 39 HIS : no HD1:sc= -5.4! C(o=-5.4!,f=-4.5!) USER MOD Single : A 40 SER OG : rot 80:sc= -0.833 USER MOD Single : A 42 GLN : amide:sc= -6.59! C(o=-6.6!,f=-5.1!) USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 THR OG1 : rot 161:sc= 0.0697 USER MOD Single : A 52 ASN : amide:sc= -0.701 K(o=-0.7,f=-3.6!) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 LYS NZ :NH3+ -118:sc= -1.12 (180deg=-7.72!) USER MOD Single : A 56 ASN : amide:sc= -0.0928 X(o=-0.093,f=-0.21) USER MOD Single : A 63 ASN : amide:sc= 0.122! C(o=0.12!,f=-7.8!) USER MOD Single : A 64 MET CE :methyl 177:sc= -0.776 (180deg=-0.794) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 69 THR OG1 : rot -140:sc= -0.869! USER MOD Single : A 70 ASN : amide:sc= -4.06! C(o=-4.1!,f=-7!) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 TYR OH : rot 180:sc= -2.95! USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 MET CE :methyl -159:sc= -0.0355 (180deg=-0.191) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 ASN : amide:sc= -2.55 K(o=-2.6,f=-5.4!) USER MOD Single : A 96 THR OG1 : rot 180:sc= 0 USER MOD Single : A 97 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 30 N PHE A -3 7.089 -13.754 -5.407 1.00 0.00 N ATOM 31 CA PHE A -3 5.919 -14.003 -4.582 1.00 0.00 C ATOM 32 C PHE A -3 5.368 -15.410 -4.823 1.00 0.00 C ATOM 33 O PHE A -3 5.782 -16.091 -5.760 1.00 0.00 O ATOM 34 CB PHE A -3 4.859 -12.976 -4.986 1.00 0.00 C ATOM 35 CG PHE A -3 3.426 -13.402 -4.664 1.00 0.00 C ATOM 36 CD1 PHE A -3 2.945 -13.271 -3.398 1.00 0.00 C ATOM 37 CD2 PHE A -3 2.631 -13.912 -5.643 1.00 0.00 C ATOM 38 CE1 PHE A -3 1.614 -13.666 -3.100 1.00 0.00 C ATOM 39 CE2 PHE A -3 1.301 -14.307 -5.344 1.00 0.00 C ATOM 40 CZ PHE A -3 0.820 -14.176 -4.079 1.00 0.00 C ATOM 0 H1 PHE A -3 7.905 -13.545 -4.798 1.00 0.00 H new ATOM 0 H2 PHE A -3 7.293 -14.596 -5.983 1.00 0.00 H new ATOM 0 H3 PHE A -3 6.907 -12.943 -6.032 1.00 0.00 H new ATOM 0 HA PHE A -3 6.183 -13.921 -3.528 1.00 0.00 H new ATOM 0 HB2 PHE A -3 5.069 -12.034 -4.480 1.00 0.00 H new ATOM 0 HB3 PHE A -3 4.939 -12.788 -6.057 1.00 0.00 H new ATOM 0 HD1 PHE A -3 3.575 -12.867 -2.620 1.00 0.00 H new ATOM 0 HD2 PHE A -3 3.012 -14.016 -6.648 1.00 0.00 H new ATOM 0 HE1 PHE A -3 1.232 -13.561 -2.095 1.00 0.00 H new ATOM 0 HE2 PHE A -3 0.671 -14.712 -6.122 1.00 0.00 H new ATOM 0 HZ PHE A -3 -0.192 -14.477 -3.852 1.00 0.00 H new ATOM 50 N LYS A -2 4.441 -15.803 -3.961 1.00 0.00 N ATOM 51 CA LYS A -2 3.829 -17.116 -4.069 1.00 0.00 C ATOM 52 C LYS A -2 2.518 -17.129 -3.280 1.00 0.00 C ATOM 53 O LYS A -2 2.454 -16.610 -2.167 1.00 0.00 O ATOM 54 CB LYS A -2 4.815 -18.204 -3.639 1.00 0.00 C ATOM 55 CG LYS A -2 4.281 -19.596 -3.985 1.00 0.00 C ATOM 56 CD LYS A -2 5.181 -20.689 -3.405 1.00 0.00 C ATOM 57 CE LYS A -2 6.311 -21.040 -4.375 1.00 0.00 C ATOM 58 NZ LYS A -2 7.120 -22.161 -3.844 1.00 0.00 N ATOM 0 H LYS A -2 4.099 -15.235 -3.185 1.00 0.00 H new ATOM 0 HA LYS A -2 3.580 -17.336 -5.107 1.00 0.00 H new ATOM 0 HB2 LYS A -2 5.774 -18.046 -4.132 1.00 0.00 H new ATOM 0 HB3 LYS A -2 4.993 -18.135 -2.566 1.00 0.00 H new ATOM 0 HG2 LYS A -2 3.269 -19.708 -3.595 1.00 0.00 H new ATOM 0 HG3 LYS A -2 4.220 -19.707 -5.068 1.00 0.00 H new ATOM 0 HD2 LYS A -2 5.602 -20.354 -2.457 1.00 0.00 H new ATOM 0 HD3 LYS A -2 4.588 -21.579 -3.194 1.00 0.00 H new ATOM 0 HE2 LYS A -2 5.894 -21.312 -5.345 1.00 0.00 H new ATOM 0 HE3 LYS A -2 6.946 -20.168 -4.534 1.00 0.00 H new ATOM 0 HZ1 LYS A -2 7.883 -22.387 -4.514 1.00 0.00 H new ATOM 0 HZ2 LYS A -2 7.533 -21.888 -2.929 1.00 0.00 H new ATOM 0 HZ3 LYS A -2 6.514 -22.996 -3.715 1.00 0.00 H new ATOM 72 N ALA A -1 1.504 -17.727 -3.889 1.00 0.00 N ATOM 73 CA ALA A -1 0.198 -17.814 -3.257 1.00 0.00 C ATOM 74 C ALA A -1 0.376 -18.112 -1.767 1.00 0.00 C ATOM 75 O ALA A -1 1.381 -18.694 -1.363 1.00 0.00 O ATOM 76 CB ALA A -1 -0.643 -18.876 -3.968 1.00 0.00 C ATOM 0 H ALA A -1 1.560 -18.156 -4.813 1.00 0.00 H new ATOM 0 HA ALA A -1 -0.334 -16.866 -3.342 1.00 0.00 H new ATOM 0 HB1 ALA A -1 -1.623 -18.942 -3.494 1.00 0.00 H new ATOM 0 HB2 ALA A -1 -0.764 -18.602 -5.016 1.00 0.00 H new ATOM 0 HB3 ALA A -1 -0.142 -19.842 -3.901 1.00 0.00 H new ATOM 82 N GLY A 1 -0.616 -17.700 -0.992 1.00 0.00 N ATOM 83 CA GLY A 1 -0.582 -17.916 0.445 1.00 0.00 C ATOM 84 C GLY A 1 -1.874 -18.576 0.931 1.00 0.00 C ATOM 85 O GLY A 1 -2.431 -19.436 0.249 1.00 0.00 O ATOM 0 H GLY A 1 -1.448 -17.218 -1.331 1.00 0.00 H new ATOM 0 HA2 GLY A 1 0.271 -18.545 0.702 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -0.441 -16.964 0.956 1.00 0.00 H new ATOM 89 N SER A 2 -2.314 -18.149 2.105 1.00 0.00 N ATOM 90 CA SER A 2 -3.530 -18.688 2.690 1.00 0.00 C ATOM 91 C SER A 2 -4.722 -17.798 2.332 1.00 0.00 C ATOM 92 O SER A 2 -5.027 -16.845 3.048 1.00 0.00 O ATOM 93 CB SER A 2 -3.400 -18.815 4.209 1.00 0.00 C ATOM 94 OG SER A 2 -4.066 -19.973 4.706 1.00 0.00 O ATOM 0 H SER A 2 -1.850 -17.436 2.667 1.00 0.00 H new ATOM 0 HA SER A 2 -3.694 -19.685 2.281 1.00 0.00 H new ATOM 0 HB2 SER A 2 -2.345 -18.859 4.480 1.00 0.00 H new ATOM 0 HB3 SER A 2 -3.815 -17.926 4.684 1.00 0.00 H new ATOM 0 HG SER A 2 -3.959 -20.020 5.679 1.00 0.00 H new ATOM 100 N ALA A 3 -5.364 -18.141 1.225 1.00 0.00 N ATOM 101 CA ALA A 3 -6.516 -17.385 0.763 1.00 0.00 C ATOM 102 C ALA A 3 -7.784 -17.956 1.401 1.00 0.00 C ATOM 103 O ALA A 3 -8.793 -18.145 0.723 1.00 0.00 O ATOM 104 CB ALA A 3 -6.567 -17.416 -0.766 1.00 0.00 C ATOM 0 H ALA A 3 -5.108 -18.932 0.634 1.00 0.00 H new ATOM 0 HA ALA A 3 -6.437 -16.341 1.065 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -7.431 -16.849 -1.113 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -5.656 -16.973 -1.169 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -6.650 -18.448 -1.106 1.00 0.00 H new ATOM 110 N LYS A 4 -7.691 -18.214 2.697 1.00 0.00 N ATOM 111 CA LYS A 4 -8.818 -18.760 3.434 1.00 0.00 C ATOM 112 C LYS A 4 -9.688 -17.612 3.950 1.00 0.00 C ATOM 113 O LYS A 4 -10.632 -17.835 4.706 1.00 0.00 O ATOM 114 CB LYS A 4 -8.332 -19.705 4.534 1.00 0.00 C ATOM 115 CG LYS A 4 -9.095 -21.031 4.494 1.00 0.00 C ATOM 116 CD LYS A 4 -8.233 -22.142 3.892 1.00 0.00 C ATOM 117 CE LYS A 4 -8.189 -23.362 4.814 1.00 0.00 C ATOM 118 NZ LYS A 4 -8.473 -24.599 4.051 1.00 0.00 N ATOM 0 H LYS A 4 -6.853 -18.055 3.256 1.00 0.00 H new ATOM 0 HA LYS A 4 -9.444 -19.366 2.779 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -7.265 -19.891 4.413 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -8.465 -19.234 5.508 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -9.401 -21.309 5.503 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -10.005 -20.913 3.906 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -8.632 -22.431 2.920 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -7.222 -21.772 3.724 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -7.208 -23.435 5.284 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -8.919 -23.246 5.615 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -8.439 -25.418 4.692 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -9.418 -24.533 3.623 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -7.761 -24.716 3.302 1.00 0.00 H new ATOM 132 N LYS A 5 -9.339 -16.408 3.520 1.00 0.00 N ATOM 133 CA LYS A 5 -10.077 -15.225 3.929 1.00 0.00 C ATOM 134 C LYS A 5 -9.780 -14.082 2.956 1.00 0.00 C ATOM 135 O LYS A 5 -10.299 -14.062 1.841 1.00 0.00 O ATOM 136 CB LYS A 5 -9.773 -14.882 5.389 1.00 0.00 C ATOM 137 CG LYS A 5 -10.701 -15.648 6.336 1.00 0.00 C ATOM 138 CD LYS A 5 -9.928 -16.710 7.120 1.00 0.00 C ATOM 139 CE LYS A 5 -10.878 -17.579 7.948 1.00 0.00 C ATOM 140 NZ LYS A 5 -11.585 -18.546 7.079 1.00 0.00 N ATOM 0 H LYS A 5 -8.555 -16.226 2.893 1.00 0.00 H new ATOM 0 HA LYS A 5 -11.150 -15.412 3.885 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -8.735 -15.126 5.615 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -9.891 -13.810 5.547 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -11.175 -14.952 7.029 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -11.499 -16.122 5.765 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -9.363 -17.337 6.430 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -9.205 -16.227 7.777 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -10.317 -18.113 8.715 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -11.602 -16.948 8.464 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -12.600 -18.322 7.064 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -11.204 -18.488 6.113 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -11.448 -19.509 7.448 1.00 0.00 H new ATOM 154 N GLY A 6 -8.947 -13.159 3.413 1.00 0.00 N ATOM 155 CA GLY A 6 -8.575 -12.016 2.596 1.00 0.00 C ATOM 156 C GLY A 6 -9.125 -10.717 3.188 1.00 0.00 C ATOM 157 O GLY A 6 -9.416 -9.772 2.457 1.00 0.00 O ATOM 0 H GLY A 6 -8.519 -13.179 4.339 1.00 0.00 H new ATOM 0 HA2 GLY A 6 -7.489 -11.955 2.522 1.00 0.00 H new ATOM 0 HA3 GLY A 6 -8.956 -12.149 1.584 1.00 0.00 H new ATOM 161 N ALA A 7 -9.249 -10.712 4.507 1.00 0.00 N ATOM 162 CA ALA A 7 -9.759 -9.544 5.206 1.00 0.00 C ATOM 163 C ALA A 7 -9.333 -9.608 6.674 1.00 0.00 C ATOM 164 O ALA A 7 -8.864 -8.617 7.232 1.00 0.00 O ATOM 165 CB ALA A 7 -11.278 -9.473 5.042 1.00 0.00 C ATOM 0 H ALA A 7 -9.005 -11.498 5.110 1.00 0.00 H new ATOM 0 HA ALA A 7 -9.343 -8.630 4.781 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -11.660 -8.597 5.566 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -11.527 -9.399 3.983 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -11.731 -10.372 5.459 1.00 0.00 H new ATOM 171 N THR A 8 -9.513 -10.783 7.259 1.00 0.00 N ATOM 172 CA THR A 8 -9.153 -10.989 8.652 1.00 0.00 C ATOM 173 C THR A 8 -7.857 -10.247 8.983 1.00 0.00 C ATOM 174 O THR A 8 -7.656 -9.818 10.118 1.00 0.00 O ATOM 175 CB THR A 8 -9.071 -12.496 8.901 1.00 0.00 C ATOM 176 OG1 THR A 8 -10.163 -12.764 9.776 1.00 0.00 O ATOM 177 CG2 THR A 8 -7.837 -12.889 9.715 1.00 0.00 C ATOM 0 H THR A 8 -9.903 -11.602 6.794 1.00 0.00 H new ATOM 0 HA THR A 8 -9.907 -10.575 9.321 1.00 0.00 H new ATOM 0 HB THR A 8 -9.058 -13.021 7.946 1.00 0.00 H new ATOM 0 HG1 THR A 8 -10.185 -13.721 9.988 1.00 0.00 H new ATOM 0 HG21 THR A 8 -7.828 -13.969 9.863 1.00 0.00 H new ATOM 0 HG22 THR A 8 -6.937 -12.588 9.179 1.00 0.00 H new ATOM 0 HG23 THR A 8 -7.866 -12.390 10.684 1.00 0.00 H new ATOM 185 N LEU A 9 -7.011 -10.118 7.971 1.00 0.00 N ATOM 186 CA LEU A 9 -5.740 -9.436 8.141 1.00 0.00 C ATOM 187 C LEU A 9 -5.926 -7.943 7.863 1.00 0.00 C ATOM 188 O LEU A 9 -5.928 -7.131 8.787 1.00 0.00 O ATOM 189 CB LEU A 9 -4.660 -10.092 7.278 1.00 0.00 C ATOM 190 CG LEU A 9 -3.227 -9.992 7.806 1.00 0.00 C ATOM 191 CD1 LEU A 9 -2.453 -11.284 7.537 1.00 0.00 C ATOM 192 CD2 LEU A 9 -2.515 -8.766 7.231 1.00 0.00 C ATOM 0 H LEU A 9 -7.181 -10.474 7.031 1.00 0.00 H new ATOM 0 HA LEU A 9 -5.393 -9.528 9.170 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -4.909 -11.146 7.158 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -4.693 -9.642 6.286 1.00 0.00 H new ATOM 0 HG LEU A 9 -3.269 -9.861 8.887 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -1.438 -11.187 7.922 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -2.951 -12.117 8.034 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -2.418 -11.470 6.464 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -1.499 -8.719 7.622 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -2.482 -8.841 6.144 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -3.056 -7.864 7.516 1.00 0.00 H new ATOM 204 N PHE A 10 -6.079 -7.626 6.585 1.00 0.00 N ATOM 205 CA PHE A 10 -6.266 -6.245 6.174 1.00 0.00 C ATOM 206 C PHE A 10 -7.160 -5.495 7.163 1.00 0.00 C ATOM 207 O PHE A 10 -6.868 -4.357 7.529 1.00 0.00 O ATOM 208 CB PHE A 10 -6.951 -6.275 4.806 1.00 0.00 C ATOM 209 CG PHE A 10 -7.072 -4.902 4.141 1.00 0.00 C ATOM 210 CD1 PHE A 10 -5.954 -4.237 3.746 1.00 0.00 C ATOM 211 CD2 PHE A 10 -8.299 -4.348 3.945 1.00 0.00 C ATOM 212 CE1 PHE A 10 -6.067 -2.963 3.129 1.00 0.00 C ATOM 213 CE2 PHE A 10 -8.411 -3.074 3.328 1.00 0.00 C ATOM 214 CZ PHE A 10 -7.293 -2.408 2.933 1.00 0.00 C ATOM 0 H PHE A 10 -6.077 -8.302 5.821 1.00 0.00 H new ATOM 0 HA PHE A 10 -5.304 -5.734 6.136 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -6.393 -6.939 4.146 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -7.948 -6.702 4.919 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -4.980 -4.677 3.901 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -9.187 -4.877 4.258 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -5.179 -2.435 2.815 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -9.385 -2.634 3.172 1.00 0.00 H new ATOM 0 HZ PHE A 10 -7.379 -1.439 2.464 1.00 0.00 H new ATOM 224 N LYS A 11 -8.231 -6.162 7.567 1.00 0.00 N ATOM 225 CA LYS A 11 -9.169 -5.572 8.506 1.00 0.00 C ATOM 226 C LYS A 11 -8.396 -4.789 9.569 1.00 0.00 C ATOM 227 O LYS A 11 -8.895 -3.797 10.100 1.00 0.00 O ATOM 228 CB LYS A 11 -10.094 -6.645 9.085 1.00 0.00 C ATOM 229 CG LYS A 11 -11.391 -6.026 9.610 1.00 0.00 C ATOM 230 CD LYS A 11 -11.182 -5.408 10.994 1.00 0.00 C ATOM 231 CE LYS A 11 -11.891 -4.056 11.104 1.00 0.00 C ATOM 232 NZ LYS A 11 -12.373 -3.835 12.486 1.00 0.00 N ATOM 0 H LYS A 11 -8.470 -7.105 7.261 1.00 0.00 H new ATOM 0 HA LYS A 11 -9.821 -4.862 7.997 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -10.324 -7.384 8.318 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -9.585 -7.172 9.893 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -11.741 -5.262 8.916 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -12.168 -6.789 9.662 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -11.561 -6.085 11.759 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -10.116 -5.280 11.182 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -11.208 -3.256 10.818 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -12.731 -4.021 10.410 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -12.852 -2.913 12.544 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -13.041 -4.589 12.745 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -11.566 -3.847 13.141 1.00 0.00 H new ATOM 246 N THR A 12 -7.191 -5.263 9.848 1.00 0.00 N ATOM 247 CA THR A 12 -6.344 -4.619 10.838 1.00 0.00 C ATOM 248 C THR A 12 -4.921 -4.461 10.300 1.00 0.00 C ATOM 249 O THR A 12 -4.492 -5.223 9.435 1.00 0.00 O ATOM 250 CB THR A 12 -6.419 -5.438 12.128 1.00 0.00 C ATOM 251 OG1 THR A 12 -6.001 -6.743 11.736 1.00 0.00 O ATOM 252 CG2 THR A 12 -7.857 -5.638 12.613 1.00 0.00 C ATOM 0 H THR A 12 -6.781 -6.086 9.406 1.00 0.00 H new ATOM 0 HA THR A 12 -6.689 -3.608 11.057 1.00 0.00 H new ATOM 0 HB THR A 12 -5.839 -4.942 12.906 1.00 0.00 H new ATOM 0 HG1 THR A 12 -6.018 -7.339 12.513 1.00 0.00 H new ATOM 0 HG21 THR A 12 -7.853 -6.225 13.531 1.00 0.00 H new ATOM 0 HG22 THR A 12 -8.314 -4.667 12.805 1.00 0.00 H new ATOM 0 HG23 THR A 12 -8.429 -6.164 11.849 1.00 0.00 H new ATOM 260 N ARG A 13 -4.227 -3.467 10.836 1.00 0.00 N ATOM 261 CA ARG A 13 -2.861 -3.200 10.420 1.00 0.00 C ATOM 262 C ARG A 13 -2.846 -2.518 9.051 1.00 0.00 C ATOM 263 O ARG A 13 -1.788 -2.359 8.444 1.00 0.00 O ATOM 264 CB ARG A 13 -2.044 -4.491 10.349 1.00 0.00 C ATOM 265 CG ARG A 13 -2.289 -5.364 11.581 1.00 0.00 C ATOM 266 CD ARG A 13 -1.381 -4.945 12.739 1.00 0.00 C ATOM 267 NE ARG A 13 -0.737 -6.138 13.334 1.00 0.00 N ATOM 268 CZ ARG A 13 0.307 -6.088 14.173 1.00 0.00 C ATOM 269 NH1 ARG A 13 0.831 -4.905 14.520 1.00 0.00 N ATOM 270 NH2 ARG A 13 0.826 -7.222 14.664 1.00 0.00 N ATOM 0 H ARG A 13 -4.585 -2.838 11.554 1.00 0.00 H new ATOM 0 HA ARG A 13 -2.412 -2.540 11.162 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -2.310 -5.044 9.448 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -0.983 -4.251 10.274 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -3.333 -5.285 11.885 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -2.108 -6.410 11.332 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -0.620 -4.250 12.383 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -1.963 -4.420 13.496 1.00 0.00 H new ATOM 0 HE ARG A 13 -1.111 -7.055 13.090 1.00 0.00 H new ATOM 0 HH11 ARG A 13 0.435 -4.043 14.146 1.00 0.00 H new ATOM 0 HH12 ARG A 13 1.626 -4.867 15.159 1.00 0.00 H new ATOM 0 HH21 ARG A 13 0.426 -8.122 14.399 1.00 0.00 H new ATOM 0 HH22 ARG A 13 1.621 -7.185 15.303 1.00 0.00 H new ATOM 284 N CYS A 14 -4.033 -2.134 8.604 1.00 0.00 N ATOM 285 CA CYS A 14 -4.170 -1.473 7.317 1.00 0.00 C ATOM 286 C CYS A 14 -5.341 -0.493 7.402 1.00 0.00 C ATOM 287 O CYS A 14 -5.157 0.715 7.254 1.00 0.00 O ATOM 288 CB CYS A 14 -4.351 -2.481 6.180 1.00 0.00 C ATOM 289 SG CYS A 14 -2.915 -2.637 5.056 1.00 0.00 S ATOM 0 H CYS A 14 -4.908 -2.268 9.110 1.00 0.00 H new ATOM 0 HA CYS A 14 -3.256 -0.926 7.088 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -4.565 -3.459 6.611 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -5.224 -2.193 5.594 1.00 0.00 H new ATOM 0 HG CYS A 14 -3.178 -3.516 4.135 1.00 0.00 H new ATOM 294 N LEU A 15 -6.520 -1.048 7.642 1.00 0.00 N ATOM 295 CA LEU A 15 -7.721 -0.237 7.749 1.00 0.00 C ATOM 296 C LEU A 15 -7.422 1.001 8.597 1.00 0.00 C ATOM 297 O LEU A 15 -7.900 2.094 8.296 1.00 0.00 O ATOM 298 CB LEU A 15 -8.888 -1.076 8.275 1.00 0.00 C ATOM 299 CG LEU A 15 -10.073 -1.248 7.323 1.00 0.00 C ATOM 300 CD1 LEU A 15 -9.614 -1.789 5.968 1.00 0.00 C ATOM 301 CD2 LEU A 15 -11.159 -2.123 7.952 1.00 0.00 C ATOM 0 H LEU A 15 -6.669 -2.049 7.765 1.00 0.00 H new ATOM 0 HA LEU A 15 -8.030 0.117 6.766 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -8.510 -2.065 8.536 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -9.251 -0.620 9.196 1.00 0.00 H new ATOM 0 HG LEU A 15 -10.513 -0.267 7.145 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -10.476 -1.902 5.310 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -8.904 -1.093 5.520 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -9.134 -2.758 6.107 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -11.990 -2.229 7.255 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -10.748 -3.107 8.179 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -11.514 -1.657 8.871 1.00 0.00 H new ATOM 313 N GLN A 16 -6.632 0.788 9.639 1.00 0.00 N ATOM 314 CA GLN A 16 -6.263 1.873 10.532 1.00 0.00 C ATOM 315 C GLN A 16 -5.854 3.108 9.727 1.00 0.00 C ATOM 316 O GLN A 16 -5.955 4.233 10.214 1.00 0.00 O ATOM 317 CB GLN A 16 -5.145 1.444 11.484 1.00 0.00 C ATOM 318 CG GLN A 16 -3.846 1.179 10.720 1.00 0.00 C ATOM 319 CD GLN A 16 -2.689 0.906 11.683 1.00 0.00 C ATOM 320 OE1 GLN A 16 -1.845 1.750 11.935 1.00 0.00 O ATOM 321 NE2 GLN A 16 -2.697 -0.318 12.204 1.00 0.00 N ATOM 0 H GLN A 16 -6.237 -0.120 9.885 1.00 0.00 H new ATOM 0 HA GLN A 16 -7.132 2.130 11.138 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -4.980 2.221 12.230 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -5.445 0.544 12.021 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -3.979 0.326 10.055 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -3.607 2.038 10.093 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -3.434 -0.976 11.950 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -1.966 -0.599 12.858 1.00 0.00 H new ATOM 330 N CYS A 17 -5.401 2.856 8.507 1.00 0.00 N ATOM 331 CA CYS A 17 -4.976 3.933 7.630 1.00 0.00 C ATOM 332 C CYS A 17 -5.875 3.927 6.392 1.00 0.00 C ATOM 333 O CYS A 17 -6.622 4.835 6.014 1.00 0.00 O ATOM 334 CB CYS A 17 -3.496 3.812 7.261 1.00 0.00 C ATOM 335 SG CYS A 17 -2.338 3.975 8.669 1.00 0.00 S ATOM 0 H CYS A 17 -5.319 1.922 8.106 1.00 0.00 H new ATOM 0 HA CYS A 17 -5.077 4.887 8.147 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -3.333 2.845 6.785 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -3.257 4.576 6.522 1.00 0.00 H new ATOM 0 HG CYS A 17 -1.116 3.854 8.242 1.00 0.00 H new ATOM 340 N HIS A 18 -5.822 2.771 5.638 1.00 0.00 N ATOM 341 CA HIS A 18 -6.309 2.684 4.247 1.00 0.00 C ATOM 342 C HIS A 18 -7.678 2.038 4.081 1.00 0.00 C ATOM 343 O HIS A 18 -8.209 1.311 4.919 1.00 0.00 O ATOM 344 CB HIS A 18 -5.387 1.783 3.413 1.00 0.00 C ATOM 345 CG HIS A 18 -3.939 2.129 3.190 1.00 0.00 C ATOM 346 ND1 HIS A 18 -3.532 3.022 2.264 1.00 0.00 N ATOM 347 CD2 HIS A 18 -2.798 1.613 3.771 1.00 0.00 C ATOM 348 CE1 HIS A 18 -2.285 3.103 2.296 1.00 0.00 C ATOM 349 NE2 HIS A 18 -1.740 2.221 3.187 1.00 0.00 N ATOM 0 H HIS A 18 -5.441 1.894 5.992 1.00 0.00 H new ATOM 0 HA HIS A 18 -6.343 3.726 3.930 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -5.409 0.795 3.873 1.00 0.00 H new ATOM 0 HB3 HIS A 18 -5.845 1.687 2.428 1.00 0.00 H new ATOM 0 HD1 HIS A 18 -4.143 3.547 1.638 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -2.758 0.863 4.547 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -1.708 3.788 1.692 1.00 0.00 H new ATOM 357 N THR A 19 -8.226 2.373 2.922 1.00 0.00 N ATOM 358 CA THR A 19 -9.542 1.885 2.548 1.00 0.00 C ATOM 359 C THR A 19 -9.503 1.262 1.151 1.00 0.00 C ATOM 360 O THR A 19 -9.296 1.963 0.161 1.00 0.00 O ATOM 361 CB THR A 19 -10.529 3.047 2.668 1.00 0.00 C ATOM 362 OG1 THR A 19 -10.282 3.834 1.505 1.00 0.00 O ATOM 363 CG2 THR A 19 -10.192 3.984 3.830 1.00 0.00 C ATOM 0 H THR A 19 -7.782 2.977 2.230 1.00 0.00 H new ATOM 0 HA THR A 19 -9.873 1.089 3.215 1.00 0.00 H new ATOM 0 HB THR A 19 -11.537 2.654 2.799 1.00 0.00 H new ATOM 0 HG1 THR A 19 -9.676 4.570 1.731 1.00 0.00 H new ATOM 0 HG21 THR A 19 -10.923 4.791 3.870 1.00 0.00 H new ATOM 0 HG22 THR A 19 -10.216 3.426 4.766 1.00 0.00 H new ATOM 0 HG23 THR A 19 -9.197 4.403 3.682 1.00 0.00 H new ATOM 371 N VAL A 20 -9.704 -0.047 1.115 1.00 0.00 N ATOM 372 CA VAL A 20 -9.694 -0.772 -0.144 1.00 0.00 C ATOM 373 C VAL A 20 -10.866 -0.301 -1.007 1.00 0.00 C ATOM 374 O VAL A 20 -10.842 -0.449 -2.228 1.00 0.00 O ATOM 375 CB VAL A 20 -9.713 -2.279 0.120 1.00 0.00 C ATOM 376 CG1 VAL A 20 -11.095 -2.735 0.595 1.00 0.00 C ATOM 377 CG2 VAL A 20 -9.276 -3.058 -1.122 1.00 0.00 C ATOM 0 H VAL A 20 -9.875 -0.625 1.938 1.00 0.00 H new ATOM 0 HA VAL A 20 -8.778 -0.564 -0.698 1.00 0.00 H new ATOM 0 HB VAL A 20 -8.999 -2.489 0.916 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -11.081 -3.810 0.775 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -11.352 -2.215 1.518 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -11.837 -2.505 -0.170 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -9.298 -4.127 -0.908 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -9.955 -2.839 -1.946 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -8.263 -2.764 -1.398 1.00 0.00 H new ATOM 387 N GLU A 21 -11.865 0.258 -0.339 1.00 0.00 N ATOM 388 CA GLU A 21 -13.044 0.751 -1.031 1.00 0.00 C ATOM 389 C GLU A 21 -12.639 1.700 -2.161 1.00 0.00 C ATOM 390 O GLU A 21 -11.457 1.991 -2.337 1.00 0.00 O ATOM 391 CB GLU A 21 -14.004 1.437 -0.056 1.00 0.00 C ATOM 392 CG GLU A 21 -13.236 2.253 0.986 1.00 0.00 C ATOM 393 CD GLU A 21 -14.070 3.438 1.478 1.00 0.00 C ATOM 394 OE1 GLU A 21 -14.777 4.025 0.630 1.00 0.00 O ATOM 395 OE2 GLU A 21 -13.981 3.730 2.690 1.00 0.00 O ATOM 0 H GLU A 21 -11.882 0.380 0.673 1.00 0.00 H new ATOM 0 HA GLU A 21 -13.567 -0.099 -1.468 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -14.682 2.089 -0.606 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -14.618 0.688 0.444 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -12.971 1.615 1.829 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -12.303 2.615 0.554 1.00 0.00 H new ATOM 402 N LYS A 22 -13.642 2.155 -2.897 1.00 0.00 N ATOM 403 CA LYS A 22 -13.405 3.064 -4.005 1.00 0.00 C ATOM 404 C LYS A 22 -13.667 4.500 -3.546 1.00 0.00 C ATOM 405 O LYS A 22 -12.776 5.346 -3.602 1.00 0.00 O ATOM 406 CB LYS A 22 -14.229 2.649 -5.225 1.00 0.00 C ATOM 407 CG LYS A 22 -13.850 3.481 -6.452 1.00 0.00 C ATOM 408 CD LYS A 22 -14.518 2.932 -7.714 1.00 0.00 C ATOM 409 CE LYS A 22 -13.506 2.790 -8.853 1.00 0.00 C ATOM 410 NZ LYS A 22 -13.997 3.471 -10.071 1.00 0.00 N ATOM 0 H LYS A 22 -14.621 1.911 -2.748 1.00 0.00 H new ATOM 0 HA LYS A 22 -12.363 3.015 -4.321 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -14.068 1.592 -5.434 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -15.290 2.773 -5.011 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -14.149 4.518 -6.299 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -12.767 3.477 -6.578 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -14.968 1.963 -7.499 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -15.325 3.597 -8.021 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -12.549 3.216 -8.552 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -13.333 1.735 -9.064 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -13.298 3.365 -10.834 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -14.899 3.046 -10.366 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -14.139 4.481 -9.870 1.00 0.00 H new ATOM 424 N GLY A 23 -14.893 4.731 -3.101 1.00 0.00 N ATOM 425 CA GLY A 23 -15.284 6.049 -2.632 1.00 0.00 C ATOM 426 C GLY A 23 -14.622 6.373 -1.291 1.00 0.00 C ATOM 427 O GLY A 23 -15.307 6.597 -0.295 1.00 0.00 O ATOM 0 H GLY A 23 -15.629 4.027 -3.055 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -15.003 6.800 -3.371 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -16.368 6.095 -2.527 1.00 0.00 H new ATOM 431 N GLY A 24 -13.297 6.387 -1.310 1.00 0.00 N ATOM 432 CA GLY A 24 -12.534 6.680 -0.108 1.00 0.00 C ATOM 433 C GLY A 24 -11.927 8.082 -0.173 1.00 0.00 C ATOM 434 O GLY A 24 -11.195 8.404 -1.107 1.00 0.00 O ATOM 0 H GLY A 24 -12.732 6.200 -2.139 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -13.180 6.600 0.766 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -11.741 5.942 0.013 1.00 0.00 H new ATOM 438 N PRO A 25 -12.261 8.901 0.860 1.00 0.00 N ATOM 439 CA PRO A 25 -11.757 10.262 0.930 1.00 0.00 C ATOM 440 C PRO A 25 -10.284 10.280 1.347 1.00 0.00 C ATOM 441 O PRO A 25 -9.636 11.324 1.302 1.00 0.00 O ATOM 442 CB PRO A 25 -12.664 10.968 1.925 1.00 0.00 C ATOM 443 CG PRO A 25 -13.346 9.867 2.720 1.00 0.00 C ATOM 444 CD PRO A 25 -13.125 8.555 1.985 1.00 0.00 C ATOM 0 HA PRO A 25 -11.777 10.768 -0.035 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -12.090 11.624 2.579 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -13.397 11.591 1.412 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -12.935 9.814 3.728 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -14.412 10.073 2.821 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -12.656 7.813 2.631 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -14.068 8.129 1.643 1.00 0.00 H new ATOM 452 N HIS A 26 -9.800 9.112 1.743 1.00 0.00 N ATOM 453 CA HIS A 26 -8.417 8.981 2.167 1.00 0.00 C ATOM 454 C HIS A 26 -8.297 9.350 3.647 1.00 0.00 C ATOM 455 O HIS A 26 -8.849 10.358 4.086 1.00 0.00 O ATOM 456 CB HIS A 26 -7.493 9.810 1.273 1.00 0.00 C ATOM 457 CG HIS A 26 -7.833 9.736 -0.197 1.00 0.00 C ATOM 458 ND1 HIS A 26 -7.549 8.629 -0.978 1.00 0.00 N ATOM 459 CD2 HIS A 26 -8.436 10.642 -1.018 1.00 0.00 C ATOM 460 CE1 HIS A 26 -7.966 8.870 -2.212 1.00 0.00 C ATOM 461 NE2 HIS A 26 -8.515 10.118 -2.235 1.00 0.00 N ATOM 0 H HIS A 26 -10.341 8.248 1.779 1.00 0.00 H new ATOM 0 HA HIS A 26 -8.097 7.945 2.059 1.00 0.00 H new ATOM 0 HB2 HIS A 26 -7.533 10.851 1.593 1.00 0.00 H new ATOM 0 HB3 HIS A 26 -6.467 9.472 1.416 1.00 0.00 H new ATOM 0 HD2 HIS A 26 -8.790 11.620 -0.727 1.00 0.00 H new ATOM 0 HE1 HIS A 26 -7.885 8.196 -3.052 1.00 0.00 H new ATOM 0 HE2 HIS A 26 -8.920 10.574 -3.053 1.00 0.00 H new ATOM 469 N LYS A 27 -7.571 8.515 4.376 1.00 0.00 N ATOM 470 CA LYS A 27 -7.371 8.741 5.797 1.00 0.00 C ATOM 471 C LYS A 27 -5.892 9.026 6.061 1.00 0.00 C ATOM 472 O LYS A 27 -5.423 10.143 5.845 1.00 0.00 O ATOM 473 CB LYS A 27 -7.925 7.568 6.609 1.00 0.00 C ATOM 474 CG LYS A 27 -9.383 7.815 7.004 1.00 0.00 C ATOM 475 CD LYS A 27 -10.163 6.500 7.072 1.00 0.00 C ATOM 476 CE LYS A 27 -10.958 6.401 8.375 1.00 0.00 C ATOM 477 NZ LYS A 27 -12.011 7.441 8.420 1.00 0.00 N ATOM 0 H LYS A 27 -7.114 7.680 4.009 1.00 0.00 H new ATOM 0 HA LYS A 27 -7.929 9.618 6.125 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -7.853 6.651 6.025 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -7.321 7.424 7.505 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -9.422 8.315 7.972 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -9.851 8.483 6.281 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -10.842 6.431 6.222 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -9.473 5.659 6.998 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -11.411 5.413 8.458 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -10.288 6.517 9.227 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -12.574 7.328 9.287 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -11.569 8.383 8.414 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -12.630 7.344 7.590 1.00 0.00 H new ATOM 491 N VAL A 28 -5.196 7.998 6.523 1.00 0.00 N ATOM 492 CA VAL A 28 -3.779 8.124 6.819 1.00 0.00 C ATOM 493 C VAL A 28 -2.973 7.889 5.540 1.00 0.00 C ATOM 494 O VAL A 28 -1.841 8.355 5.420 1.00 0.00 O ATOM 495 CB VAL A 28 -3.394 7.172 7.952 1.00 0.00 C ATOM 496 CG1 VAL A 28 -1.881 7.173 8.179 1.00 0.00 C ATOM 497 CG2 VAL A 28 -4.141 7.522 9.240 1.00 0.00 C ATOM 0 H VAL A 28 -5.587 7.073 6.700 1.00 0.00 H new ATOM 0 HA VAL A 28 -3.550 9.131 7.168 1.00 0.00 H new ATOM 0 HB VAL A 28 -3.688 6.165 7.657 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -1.634 6.488 8.990 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -1.376 6.853 7.267 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -1.553 8.179 8.442 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -3.849 6.830 10.030 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -3.892 8.540 9.540 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -5.215 7.446 9.070 1.00 0.00 H new ATOM 507 N GLY A 29 -3.588 7.165 4.616 1.00 0.00 N ATOM 508 CA GLY A 29 -2.942 6.862 3.350 1.00 0.00 C ATOM 509 C GLY A 29 -3.937 6.950 2.191 1.00 0.00 C ATOM 510 O GLY A 29 -5.139 7.094 2.410 1.00 0.00 O ATOM 0 H GLY A 29 -4.527 6.779 4.719 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -2.120 7.558 3.182 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -2.510 5.862 3.388 1.00 0.00 H new ATOM 514 N PRO A 30 -3.385 6.858 0.952 1.00 0.00 N ATOM 515 CA PRO A 30 -4.211 6.926 -0.242 1.00 0.00 C ATOM 516 C PRO A 30 -4.982 5.621 -0.450 1.00 0.00 C ATOM 517 O PRO A 30 -4.657 4.600 0.154 1.00 0.00 O ATOM 518 CB PRO A 30 -3.242 7.231 -1.373 1.00 0.00 C ATOM 519 CG PRO A 30 -1.863 6.864 -0.852 1.00 0.00 C ATOM 520 CD PRO A 30 -1.966 6.687 0.655 1.00 0.00 C ATOM 0 HA PRO A 30 -4.982 7.694 -0.178 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -3.489 6.654 -2.264 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -3.286 8.284 -1.652 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -1.510 5.946 -1.321 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -1.142 7.644 -1.096 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -1.613 5.703 0.963 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -1.359 7.423 1.183 1.00 0.00 H new ATOM 528 N ASN A 31 -5.989 5.697 -1.308 1.00 0.00 N ATOM 529 CA ASN A 31 -6.809 4.534 -1.604 1.00 0.00 C ATOM 530 C ASN A 31 -6.084 3.650 -2.620 1.00 0.00 C ATOM 531 O ASN A 31 -5.806 4.082 -3.738 1.00 0.00 O ATOM 532 CB ASN A 31 -8.152 4.947 -2.209 1.00 0.00 C ATOM 533 CG ASN A 31 -9.271 4.866 -1.168 1.00 0.00 C ATOM 534 OD1 ASN A 31 -9.357 5.662 -0.249 1.00 0.00 O ATOM 535 ND2 ASN A 31 -10.119 3.860 -1.364 1.00 0.00 N ATOM 0 H ASN A 31 -6.256 6.545 -1.807 1.00 0.00 H new ATOM 0 HA ASN A 31 -6.984 3.998 -0.671 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -8.083 5.964 -2.596 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -8.389 4.300 -3.054 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -10.900 3.719 -0.723 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -9.988 3.230 -2.155 1.00 0.00 H new ATOM 542 N LEU A 32 -5.800 2.427 -2.196 1.00 0.00 N ATOM 543 CA LEU A 32 -5.113 1.478 -3.055 1.00 0.00 C ATOM 544 C LEU A 32 -5.964 1.213 -4.299 1.00 0.00 C ATOM 545 O LEU A 32 -5.437 1.097 -5.404 1.00 0.00 O ATOM 546 CB LEU A 32 -4.753 0.212 -2.275 1.00 0.00 C ATOM 547 CG LEU A 32 -3.905 0.417 -1.018 1.00 0.00 C ATOM 548 CD1 LEU A 32 -3.380 -0.918 -0.487 1.00 0.00 C ATOM 549 CD2 LEU A 32 -2.775 1.415 -1.276 1.00 0.00 C ATOM 0 H LEU A 32 -6.033 2.072 -1.269 1.00 0.00 H new ATOM 0 HA LEU A 32 -4.166 1.893 -3.399 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -5.677 -0.289 -1.988 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -4.219 -0.463 -2.943 1.00 0.00 H new ATOM 0 HG LEU A 32 -4.541 0.844 -0.243 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -2.781 -0.744 0.407 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -4.220 -1.567 -0.239 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -2.765 -1.396 -1.249 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -2.188 1.543 -0.367 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -2.133 1.040 -2.073 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -3.198 2.375 -1.572 1.00 0.00 H new ATOM 561 N HIS A 33 -7.267 1.124 -4.076 1.00 0.00 N ATOM 562 CA HIS A 33 -8.197 0.875 -5.164 1.00 0.00 C ATOM 563 C HIS A 33 -7.758 1.657 -6.404 1.00 0.00 C ATOM 564 O HIS A 33 -8.054 2.844 -6.531 1.00 0.00 O ATOM 565 CB HIS A 33 -9.631 1.196 -4.738 1.00 0.00 C ATOM 566 CG HIS A 33 -10.674 0.835 -5.769 1.00 0.00 C ATOM 567 ND1 HIS A 33 -11.683 -0.080 -5.526 1.00 0.00 N ATOM 568 CD2 HIS A 33 -10.853 1.276 -7.048 1.00 0.00 C ATOM 569 CE1 HIS A 33 -12.430 -0.178 -6.616 1.00 0.00 C ATOM 570 NE2 HIS A 33 -11.914 0.663 -7.558 1.00 0.00 N ATOM 0 H HIS A 33 -7.701 1.220 -3.158 1.00 0.00 H new ATOM 0 HA HIS A 33 -8.185 -0.184 -5.422 1.00 0.00 H new ATOM 0 HB2 HIS A 33 -9.851 0.665 -3.812 1.00 0.00 H new ATOM 0 HB3 HIS A 33 -9.704 2.261 -4.520 1.00 0.00 H new ATOM 0 HD1 HIS A 33 -11.827 -0.592 -4.656 1.00 0.00 H new ATOM 0 HD2 HIS A 33 -10.236 2.001 -7.558 1.00 0.00 H new ATOM 0 HE1 HIS A 33 -13.296 -0.812 -6.737 1.00 0.00 H new ATOM 578 N GLY A 34 -7.058 0.959 -7.287 1.00 0.00 N ATOM 579 CA GLY A 34 -6.575 1.573 -8.512 1.00 0.00 C ATOM 580 C GLY A 34 -5.124 1.173 -8.790 1.00 0.00 C ATOM 581 O GLY A 34 -4.695 1.145 -9.942 1.00 0.00 O ATOM 0 H GLY A 34 -6.814 -0.025 -7.178 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -7.206 1.271 -9.348 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -6.648 2.658 -8.433 1.00 0.00 H new ATOM 585 N ILE A 35 -4.410 0.874 -7.715 1.00 0.00 N ATOM 586 CA ILE A 35 -3.017 0.477 -7.829 1.00 0.00 C ATOM 587 C ILE A 35 -2.920 -0.787 -8.685 1.00 0.00 C ATOM 588 O ILE A 35 -3.874 -1.153 -9.370 1.00 0.00 O ATOM 589 CB ILE A 35 -2.386 0.331 -6.443 1.00 0.00 C ATOM 590 CG1 ILE A 35 -3.138 -0.705 -5.605 1.00 0.00 C ATOM 591 CG2 ILE A 35 -2.296 1.685 -5.736 1.00 0.00 C ATOM 592 CD1 ILE A 35 -2.612 -2.116 -5.875 1.00 0.00 C ATOM 0 H ILE A 35 -4.770 0.899 -6.761 1.00 0.00 H new ATOM 0 HA ILE A 35 -2.441 1.251 -8.336 1.00 0.00 H new ATOM 0 HB ILE A 35 -1.367 -0.035 -6.568 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -3.030 -0.469 -4.546 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -4.203 -0.660 -5.834 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -1.844 1.553 -4.753 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -1.684 2.365 -6.329 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -3.296 2.103 -5.622 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -3.164 -2.833 -5.267 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -2.744 -2.358 -6.930 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -1.553 -2.164 -5.621 1.00 0.00 H new ATOM 604 N PHE A 36 -1.757 -1.420 -8.619 1.00 0.00 N ATOM 605 CA PHE A 36 -1.523 -2.636 -9.380 1.00 0.00 C ATOM 606 C PHE A 36 -1.742 -2.398 -10.875 1.00 0.00 C ATOM 607 O PHE A 36 -2.807 -2.706 -11.407 1.00 0.00 O ATOM 608 CB PHE A 36 -2.534 -3.673 -8.887 1.00 0.00 C ATOM 609 CG PHE A 36 -2.056 -4.482 -7.680 1.00 0.00 C ATOM 610 CD1 PHE A 36 -0.983 -4.060 -6.959 1.00 0.00 C ATOM 611 CD2 PHE A 36 -2.705 -5.624 -7.326 1.00 0.00 C ATOM 612 CE1 PHE A 36 -0.540 -4.810 -5.838 1.00 0.00 C ATOM 613 CE2 PHE A 36 -2.262 -6.375 -6.206 1.00 0.00 C ATOM 614 CZ PHE A 36 -1.189 -5.952 -5.485 1.00 0.00 C ATOM 0 H PHE A 36 -0.967 -1.114 -8.051 1.00 0.00 H new ATOM 0 HA PHE A 36 -0.495 -2.971 -9.240 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -3.463 -3.165 -8.626 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -2.764 -4.358 -9.703 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -0.467 -3.153 -7.239 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -3.558 -5.959 -7.898 1.00 0.00 H new ATOM 0 HE1 PHE A 36 0.312 -4.474 -5.266 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -2.777 -7.282 -5.926 1.00 0.00 H new ATOM 0 HZ PHE A 36 -0.852 -6.523 -4.632 1.00 0.00 H new ATOM 624 N GLY A 37 -0.717 -1.850 -11.511 1.00 0.00 N ATOM 625 CA GLY A 37 -0.784 -1.567 -12.935 1.00 0.00 C ATOM 626 C GLY A 37 0.091 -0.365 -13.297 1.00 0.00 C ATOM 627 O GLY A 37 1.158 -0.525 -13.888 1.00 0.00 O ATOM 0 H GLY A 37 0.165 -1.594 -11.066 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -0.458 -2.441 -13.499 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -1.817 -1.369 -13.222 1.00 0.00 H new ATOM 631 N ARG A 38 -0.394 0.811 -12.927 1.00 0.00 N ATOM 632 CA ARG A 38 0.330 2.040 -13.205 1.00 0.00 C ATOM 633 C ARG A 38 1.598 2.114 -12.352 1.00 0.00 C ATOM 634 O ARG A 38 2.055 1.101 -11.825 1.00 0.00 O ATOM 635 CB ARG A 38 -0.539 3.267 -12.923 1.00 0.00 C ATOM 636 CG ARG A 38 -1.936 3.099 -13.522 1.00 0.00 C ATOM 637 CD ARG A 38 -1.857 2.677 -14.991 1.00 0.00 C ATOM 638 NE ARG A 38 -3.217 2.590 -15.567 1.00 0.00 N ATOM 639 CZ ARG A 38 -3.484 2.661 -16.878 1.00 0.00 C ATOM 640 NH1 ARG A 38 -2.485 2.820 -17.757 1.00 0.00 N ATOM 641 NH2 ARG A 38 -4.749 2.573 -17.310 1.00 0.00 N ATOM 0 H ARG A 38 -1.279 0.939 -12.437 1.00 0.00 H new ATOM 0 HA ARG A 38 0.599 2.035 -14.261 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -0.617 3.422 -11.847 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -0.065 4.156 -13.340 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -2.491 2.352 -12.955 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -2.486 4.036 -13.438 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -1.261 3.396 -15.553 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -1.356 1.713 -15.074 1.00 0.00 H new ATOM 0 HE ARG A 38 -4.001 2.468 -14.926 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -1.522 2.887 -17.428 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -2.688 2.874 -18.755 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -5.509 2.452 -16.641 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -4.952 2.627 -18.308 1.00 0.00 H new ATOM 655 N HIS A 39 2.129 3.323 -12.242 1.00 0.00 N ATOM 656 CA HIS A 39 3.335 3.542 -11.461 1.00 0.00 C ATOM 657 C HIS A 39 2.981 4.271 -10.164 1.00 0.00 C ATOM 658 O HIS A 39 1.842 4.699 -9.979 1.00 0.00 O ATOM 659 CB HIS A 39 4.390 4.280 -12.287 1.00 0.00 C ATOM 660 CG HIS A 39 5.500 3.393 -12.799 1.00 0.00 C ATOM 661 ND1 HIS A 39 5.750 3.209 -14.147 1.00 0.00 N ATOM 662 CD2 HIS A 39 6.422 2.644 -12.130 1.00 0.00 C ATOM 663 CE1 HIS A 39 6.779 2.383 -14.273 1.00 0.00 C ATOM 664 NE2 HIS A 39 7.193 2.033 -13.021 1.00 0.00 N ATOM 0 H HIS A 39 1.747 4.161 -12.680 1.00 0.00 H new ATOM 0 HA HIS A 39 3.776 2.583 -11.189 1.00 0.00 H new ATOM 0 HB2 HIS A 39 3.902 4.760 -13.135 1.00 0.00 H new ATOM 0 HB3 HIS A 39 4.824 5.073 -11.678 1.00 0.00 H new ATOM 0 HD2 HIS A 39 6.510 2.562 -11.057 1.00 0.00 H new ATOM 0 HE1 HIS A 39 7.213 2.046 -15.203 1.00 0.00 H new ATOM 0 HE2 HIS A 39 7.967 1.405 -12.805 1.00 0.00 H new ATOM 672 N SER A 40 3.977 4.390 -9.298 1.00 0.00 N ATOM 673 CA SER A 40 3.785 5.061 -8.023 1.00 0.00 C ATOM 674 C SER A 40 2.914 6.304 -8.212 1.00 0.00 C ATOM 675 O SER A 40 3.087 7.048 -9.176 1.00 0.00 O ATOM 676 CB SER A 40 5.126 5.443 -7.394 1.00 0.00 C ATOM 677 OG SER A 40 5.908 6.260 -8.260 1.00 0.00 O ATOM 0 H SER A 40 4.920 4.033 -9.454 1.00 0.00 H new ATOM 0 HA SER A 40 3.281 4.371 -7.346 1.00 0.00 H new ATOM 0 HB2 SER A 40 4.950 5.972 -6.458 1.00 0.00 H new ATOM 0 HB3 SER A 40 5.682 4.538 -7.149 1.00 0.00 H new ATOM 0 HG SER A 40 5.590 7.186 -8.212 1.00 0.00 H new ATOM 683 N GLY A 41 1.995 6.492 -7.276 1.00 0.00 N ATOM 684 CA GLY A 41 1.097 7.632 -7.327 1.00 0.00 C ATOM 685 C GLY A 41 -0.074 7.366 -8.275 1.00 0.00 C ATOM 686 O GLY A 41 0.012 7.651 -9.469 1.00 0.00 O ATOM 0 H GLY A 41 1.853 5.873 -6.478 1.00 0.00 H new ATOM 0 HA2 GLY A 41 0.719 7.846 -6.327 1.00 0.00 H new ATOM 0 HA3 GLY A 41 1.643 8.515 -7.657 1.00 0.00 H new ATOM 690 N GLN A 42 -1.141 6.823 -7.708 1.00 0.00 N ATOM 691 CA GLN A 42 -2.328 6.515 -8.489 1.00 0.00 C ATOM 692 C GLN A 42 -3.541 7.258 -7.926 1.00 0.00 C ATOM 693 O GLN A 42 -4.673 6.796 -8.058 1.00 0.00 O ATOM 694 CB GLN A 42 -2.581 5.006 -8.530 1.00 0.00 C ATOM 695 CG GLN A 42 -1.599 4.312 -9.477 1.00 0.00 C ATOM 696 CD GLN A 42 -2.236 3.078 -10.119 1.00 0.00 C ATOM 697 OE1 GLN A 42 -3.395 3.074 -10.501 1.00 0.00 O ATOM 698 NE2 GLN A 42 -1.417 2.035 -10.217 1.00 0.00 N ATOM 0 H GLN A 42 -1.209 6.588 -6.718 1.00 0.00 H new ATOM 0 HA GLN A 42 -2.163 6.851 -9.513 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -2.482 4.589 -7.528 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -3.603 4.814 -8.855 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -1.283 5.009 -10.254 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -0.704 4.020 -8.928 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -0.458 2.106 -9.877 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -1.748 1.164 -10.632 1.00 0.00 H new ATOM 707 N ALA A 43 -3.263 8.398 -7.310 1.00 0.00 N ATOM 708 CA ALA A 43 -4.317 9.210 -6.727 1.00 0.00 C ATOM 709 C ALA A 43 -4.418 10.532 -7.491 1.00 0.00 C ATOM 710 O ALA A 43 -3.402 11.125 -7.850 1.00 0.00 O ATOM 711 CB ALA A 43 -4.037 9.418 -5.237 1.00 0.00 C ATOM 0 H ALA A 43 -2.323 8.778 -7.202 1.00 0.00 H new ATOM 0 HA ALA A 43 -5.280 8.706 -6.811 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -4.828 10.027 -4.800 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -4.004 8.451 -4.735 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -3.079 9.924 -5.114 1.00 0.00 H new ATOM 717 N GLU A 44 -5.653 10.956 -7.717 1.00 0.00 N ATOM 718 CA GLU A 44 -5.900 12.196 -8.431 1.00 0.00 C ATOM 719 C GLU A 44 -6.788 13.122 -7.597 1.00 0.00 C ATOM 720 O GLU A 44 -7.745 13.700 -8.111 1.00 0.00 O ATOM 721 CB GLU A 44 -6.525 11.925 -9.801 1.00 0.00 C ATOM 722 CG GLU A 44 -5.472 11.996 -10.908 1.00 0.00 C ATOM 723 CD GLU A 44 -4.965 13.428 -11.092 1.00 0.00 C ATOM 724 OE1 GLU A 44 -4.056 13.811 -10.325 1.00 0.00 O ATOM 725 OE2 GLU A 44 -5.498 14.107 -11.997 1.00 0.00 O ATOM 0 H GLU A 44 -6.494 10.462 -7.418 1.00 0.00 H new ATOM 0 HA GLU A 44 -4.944 12.693 -8.596 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -6.994 10.941 -9.803 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -7.312 12.653 -9.996 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -4.637 11.340 -10.663 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -5.898 11.634 -11.844 1.00 0.00 H new ATOM 732 N GLY A 45 -6.440 13.233 -6.323 1.00 0.00 N ATOM 733 CA GLY A 45 -7.194 14.078 -5.413 1.00 0.00 C ATOM 734 C GLY A 45 -6.717 13.892 -3.971 1.00 0.00 C ATOM 735 O GLY A 45 -7.528 13.838 -3.047 1.00 0.00 O ATOM 0 H GLY A 45 -5.646 12.752 -5.900 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -7.083 15.122 -5.705 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -8.255 13.838 -5.483 1.00 0.00 H new ATOM 739 N TYR A 46 -5.404 13.799 -3.823 1.00 0.00 N ATOM 740 CA TYR A 46 -4.809 13.621 -2.509 1.00 0.00 C ATOM 741 C TYR A 46 -3.304 13.889 -2.547 1.00 0.00 C ATOM 742 O TYR A 46 -2.587 13.313 -3.365 1.00 0.00 O ATOM 743 CB TYR A 46 -5.045 12.156 -2.135 1.00 0.00 C ATOM 744 CG TYR A 46 -4.499 11.769 -0.759 1.00 0.00 C ATOM 745 CD1 TYR A 46 -3.138 11.646 -0.567 1.00 0.00 C ATOM 746 CD2 TYR A 46 -5.368 11.544 0.289 1.00 0.00 C ATOM 747 CE1 TYR A 46 -2.624 11.282 0.728 1.00 0.00 C ATOM 748 CE2 TYR A 46 -4.854 11.180 1.584 1.00 0.00 C ATOM 749 CZ TYR A 46 -3.507 11.067 1.740 1.00 0.00 C ATOM 750 OH TYR A 46 -3.022 10.723 2.963 1.00 0.00 O ATOM 0 H TYR A 46 -4.735 13.844 -4.592 1.00 0.00 H new ATOM 0 HA TYR A 46 -5.250 14.313 -1.791 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -6.116 11.953 -2.160 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -4.583 11.520 -2.890 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -2.459 11.823 -1.388 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -6.433 11.641 0.138 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -1.561 11.182 0.892 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -5.523 11.001 2.413 1.00 0.00 H new ATOM 0 HH TYR A 46 -3.767 10.602 3.588 1.00 0.00 H new ATOM 760 N SER A 47 -2.868 14.764 -1.653 1.00 0.00 N ATOM 761 CA SER A 47 -1.460 15.116 -1.574 1.00 0.00 C ATOM 762 C SER A 47 -0.629 13.876 -1.239 1.00 0.00 C ATOM 763 O SER A 47 -0.998 13.095 -0.363 1.00 0.00 O ATOM 764 CB SER A 47 -1.224 16.211 -0.532 1.00 0.00 C ATOM 765 OG SER A 47 -1.457 15.744 0.795 1.00 0.00 O ATOM 0 H SER A 47 -3.465 15.240 -0.977 1.00 0.00 H new ATOM 0 HA SER A 47 -1.149 15.503 -2.544 1.00 0.00 H new ATOM 0 HB2 SER A 47 -0.200 16.575 -0.614 1.00 0.00 H new ATOM 0 HB3 SER A 47 -1.880 17.056 -0.739 1.00 0.00 H new ATOM 0 HG SER A 47 -1.294 16.471 1.431 1.00 0.00 H new ATOM 771 N TYR A 48 0.477 13.733 -1.955 1.00 0.00 N ATOM 772 CA TYR A 48 1.364 12.602 -1.744 1.00 0.00 C ATOM 773 C TYR A 48 2.681 13.048 -1.107 1.00 0.00 C ATOM 774 O TYR A 48 2.894 14.238 -0.882 1.00 0.00 O ATOM 775 CB TYR A 48 1.652 12.028 -3.133 1.00 0.00 C ATOM 776 CG TYR A 48 0.916 10.720 -3.432 1.00 0.00 C ATOM 777 CD1 TYR A 48 -0.460 10.669 -3.349 1.00 0.00 C ATOM 778 CD2 TYR A 48 1.629 9.592 -3.783 1.00 0.00 C ATOM 779 CE1 TYR A 48 -1.153 9.438 -3.630 1.00 0.00 C ATOM 780 CE2 TYR A 48 0.937 8.361 -4.064 1.00 0.00 C ATOM 781 CZ TYR A 48 -0.420 8.345 -3.973 1.00 0.00 C ATOM 782 OH TYR A 48 -1.074 7.182 -4.238 1.00 0.00 O ATOM 0 H TYR A 48 0.779 14.382 -2.682 1.00 0.00 H new ATOM 0 HA TYR A 48 0.904 11.873 -1.077 1.00 0.00 H new ATOM 0 HB2 TYR A 48 1.376 12.768 -3.885 1.00 0.00 H new ATOM 0 HB3 TYR A 48 2.725 11.860 -3.230 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -1.018 11.552 -3.073 1.00 0.00 H new ATOM 0 HD2 TYR A 48 2.706 9.632 -3.847 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -2.230 9.384 -3.570 1.00 0.00 H new ATOM 0 HE2 TYR A 48 1.483 7.471 -4.341 1.00 0.00 H new ATOM 0 HH TYR A 48 -0.424 6.487 -4.470 1.00 0.00 H new ATOM 792 N THR A 49 3.531 12.069 -0.833 1.00 0.00 N ATOM 793 CA THR A 49 4.821 12.346 -0.225 1.00 0.00 C ATOM 794 C THR A 49 5.853 12.691 -1.300 1.00 0.00 C ATOM 795 O THR A 49 5.579 12.566 -2.493 1.00 0.00 O ATOM 796 CB THR A 49 5.212 11.136 0.627 1.00 0.00 C ATOM 797 OG1 THR A 49 5.292 10.064 -0.309 1.00 0.00 O ATOM 798 CG2 THR A 49 4.099 10.712 1.587 1.00 0.00 C ATOM 0 H THR A 49 3.351 11.083 -1.021 1.00 0.00 H new ATOM 0 HA THR A 49 4.772 13.218 0.427 1.00 0.00 H new ATOM 0 HB THR A 49 6.112 11.368 1.196 1.00 0.00 H new ATOM 0 HG1 THR A 49 5.820 9.333 0.075 1.00 0.00 H new ATOM 0 HG21 THR A 49 4.428 9.850 2.167 1.00 0.00 H new ATOM 0 HG22 THR A 49 3.867 11.536 2.261 1.00 0.00 H new ATOM 0 HG23 THR A 49 3.208 10.447 1.017 1.00 0.00 H new ATOM 806 N ASP A 50 7.020 13.119 -0.839 1.00 0.00 N ATOM 807 CA ASP A 50 8.095 13.483 -1.747 1.00 0.00 C ATOM 808 C ASP A 50 9.123 12.351 -1.793 1.00 0.00 C ATOM 809 O ASP A 50 10.261 12.559 -2.209 1.00 0.00 O ATOM 810 CB ASP A 50 8.809 14.751 -1.274 1.00 0.00 C ATOM 811 CG ASP A 50 8.679 15.954 -2.211 1.00 0.00 C ATOM 812 OD1 ASP A 50 7.522 16.311 -2.519 1.00 0.00 O ATOM 813 OD2 ASP A 50 9.741 16.489 -2.597 1.00 0.00 O ATOM 0 H ASP A 50 7.244 13.222 0.151 1.00 0.00 H new ATOM 0 HA ASP A 50 7.661 13.659 -2.731 1.00 0.00 H new ATOM 0 HB2 ASP A 50 8.416 15.028 -0.296 1.00 0.00 H new ATOM 0 HB3 ASP A 50 9.867 14.526 -1.141 1.00 0.00 H new ATOM 818 N ALA A 51 8.684 11.178 -1.360 1.00 0.00 N ATOM 819 CA ALA A 51 9.552 10.013 -1.347 1.00 0.00 C ATOM 820 C ALA A 51 8.956 8.928 -2.246 1.00 0.00 C ATOM 821 O ALA A 51 9.673 8.290 -3.014 1.00 0.00 O ATOM 822 CB ALA A 51 9.744 9.536 0.094 1.00 0.00 C ATOM 0 H ALA A 51 7.739 11.010 -1.016 1.00 0.00 H new ATOM 0 HA ALA A 51 10.537 10.263 -1.742 1.00 0.00 H new ATOM 0 HB1 ALA A 51 10.395 8.662 0.104 1.00 0.00 H new ATOM 0 HB2 ALA A 51 10.197 10.333 0.684 1.00 0.00 H new ATOM 0 HB3 ALA A 51 8.777 9.273 0.522 1.00 0.00 H new ATOM 828 N ASN A 52 7.648 8.753 -2.120 1.00 0.00 N ATOM 829 CA ASN A 52 6.947 7.756 -2.912 1.00 0.00 C ATOM 830 C ASN A 52 7.058 8.118 -4.394 1.00 0.00 C ATOM 831 O ASN A 52 7.858 7.532 -5.122 1.00 0.00 O ATOM 832 CB ASN A 52 5.462 7.708 -2.547 1.00 0.00 C ATOM 833 CG ASN A 52 4.663 6.939 -3.601 1.00 0.00 C ATOM 834 OD1 ASN A 52 4.083 7.506 -4.513 1.00 0.00 O ATOM 835 ND2 ASN A 52 4.665 5.621 -3.427 1.00 0.00 N ATOM 0 H ASN A 52 7.056 9.284 -1.482 1.00 0.00 H new ATOM 0 HA ASN A 52 7.400 6.785 -2.710 1.00 0.00 H new ATOM 0 HB2 ASN A 52 5.338 7.233 -1.574 1.00 0.00 H new ATOM 0 HB3 ASN A 52 5.073 8.722 -2.459 1.00 0.00 H new ATOM 0 HD21 ASN A 52 4.160 5.020 -4.078 1.00 0.00 H new ATOM 0 HD22 ASN A 52 5.171 5.211 -2.642 1.00 0.00 H new ATOM 842 N ILE A 53 6.243 9.082 -4.798 1.00 0.00 N ATOM 843 CA ILE A 53 6.240 9.530 -6.180 1.00 0.00 C ATOM 844 C ILE A 53 7.676 9.557 -6.706 1.00 0.00 C ATOM 845 O ILE A 53 7.912 9.325 -7.891 1.00 0.00 O ATOM 846 CB ILE A 53 5.512 10.869 -6.308 1.00 0.00 C ATOM 847 CG1 ILE A 53 3.995 10.675 -6.272 1.00 0.00 C ATOM 848 CG2 ILE A 53 5.964 11.622 -7.561 1.00 0.00 C ATOM 849 CD1 ILE A 53 3.283 11.982 -5.919 1.00 0.00 C ATOM 0 H ILE A 53 5.580 9.565 -4.192 1.00 0.00 H new ATOM 0 HA ILE A 53 5.685 8.831 -6.806 1.00 0.00 H new ATOM 0 HB ILE A 53 5.778 11.485 -5.449 1.00 0.00 H new ATOM 0 HG12 ILE A 53 3.647 10.318 -7.241 1.00 0.00 H new ATOM 0 HG13 ILE A 53 3.740 9.909 -5.540 1.00 0.00 H new ATOM 0 HG21 ILE A 53 5.431 12.570 -7.628 1.00 0.00 H new ATOM 0 HG22 ILE A 53 7.036 11.811 -7.505 1.00 0.00 H new ATOM 0 HG23 ILE A 53 5.748 11.021 -8.444 1.00 0.00 H new ATOM 0 HD11 ILE A 53 2.206 11.816 -5.900 1.00 0.00 H new ATOM 0 HD12 ILE A 53 3.615 12.324 -4.938 1.00 0.00 H new ATOM 0 HD13 ILE A 53 3.520 12.739 -6.666 1.00 0.00 H new ATOM 861 N LYS A 54 8.599 9.843 -5.800 1.00 0.00 N ATOM 862 CA LYS A 54 10.006 9.904 -6.158 1.00 0.00 C ATOM 863 C LYS A 54 10.613 8.503 -6.063 1.00 0.00 C ATOM 864 O LYS A 54 11.708 8.332 -5.529 1.00 0.00 O ATOM 865 CB LYS A 54 10.731 10.948 -5.305 1.00 0.00 C ATOM 866 CG LYS A 54 10.072 12.322 -5.442 1.00 0.00 C ATOM 867 CD LYS A 54 10.638 13.085 -6.642 1.00 0.00 C ATOM 868 CE LYS A 54 10.130 14.528 -6.663 1.00 0.00 C ATOM 869 NZ LYS A 54 10.792 15.294 -7.742 1.00 0.00 N ATOM 0 H LYS A 54 8.400 10.035 -4.818 1.00 0.00 H new ATOM 0 HA LYS A 54 10.123 10.233 -7.191 1.00 0.00 H new ATOM 0 HB2 LYS A 54 10.722 10.639 -4.260 1.00 0.00 H new ATOM 0 HB3 LYS A 54 11.776 11.010 -5.610 1.00 0.00 H new ATOM 0 HG2 LYS A 54 8.995 12.203 -5.558 1.00 0.00 H new ATOM 0 HG3 LYS A 54 10.233 12.899 -4.531 1.00 0.00 H new ATOM 0 HD2 LYS A 54 11.727 13.080 -6.600 1.00 0.00 H new ATOM 0 HD3 LYS A 54 10.352 12.581 -7.565 1.00 0.00 H new ATOM 0 HE2 LYS A 54 9.050 14.538 -6.812 1.00 0.00 H new ATOM 0 HE3 LYS A 54 10.324 15.002 -5.701 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 10.436 16.271 -7.743 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 11.820 15.300 -7.583 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 10.586 14.850 -8.660 1.00 0.00 H new ATOM 883 N LYS A 55 9.876 7.537 -6.589 1.00 0.00 N ATOM 884 CA LYS A 55 10.328 6.156 -6.570 1.00 0.00 C ATOM 885 C LYS A 55 10.018 5.504 -7.919 1.00 0.00 C ATOM 886 O LYS A 55 10.916 4.992 -8.586 1.00 0.00 O ATOM 887 CB LYS A 55 9.729 5.412 -5.375 1.00 0.00 C ATOM 888 CG LYS A 55 10.391 4.045 -5.192 1.00 0.00 C ATOM 889 CD LYS A 55 11.812 4.193 -4.644 1.00 0.00 C ATOM 890 CE LYS A 55 11.792 4.647 -3.183 1.00 0.00 C ATOM 891 NZ LYS A 55 13.171 4.842 -2.682 1.00 0.00 N ATOM 0 H LYS A 55 8.969 7.683 -7.031 1.00 0.00 H new ATOM 0 HA LYS A 55 11.409 6.111 -6.434 1.00 0.00 H new ATOM 0 HB2 LYS A 55 9.858 6.006 -4.470 1.00 0.00 H new ATOM 0 HB3 LYS A 55 8.657 5.284 -5.522 1.00 0.00 H new ATOM 0 HG2 LYS A 55 9.796 3.437 -4.510 1.00 0.00 H new ATOM 0 HG3 LYS A 55 10.418 3.519 -6.147 1.00 0.00 H new ATOM 0 HD2 LYS A 55 12.338 3.242 -4.726 1.00 0.00 H new ATOM 0 HD3 LYS A 55 12.364 4.915 -5.245 1.00 0.00 H new ATOM 0 HE2 LYS A 55 11.231 5.577 -3.093 1.00 0.00 H new ATOM 0 HE3 LYS A 55 11.278 3.904 -2.572 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 13.351 4.185 -1.897 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 13.848 4.658 -3.449 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 13.284 5.820 -2.347 1.00 0.00 H new ATOM 905 N ASN A 56 8.744 5.543 -8.280 1.00 0.00 N ATOM 906 CA ASN A 56 8.304 4.963 -9.537 1.00 0.00 C ATOM 907 C ASN A 56 8.315 3.437 -9.421 1.00 0.00 C ATOM 908 O ASN A 56 9.278 2.787 -9.824 1.00 0.00 O ATOM 909 CB ASN A 56 9.239 5.356 -10.683 1.00 0.00 C ATOM 910 CG ASN A 56 8.477 5.444 -12.007 1.00 0.00 C ATOM 911 OD1 ASN A 56 8.684 4.669 -12.925 1.00 0.00 O ATOM 912 ND2 ASN A 56 7.585 6.430 -12.053 1.00 0.00 N ATOM 0 H ASN A 56 8.002 5.968 -7.724 1.00 0.00 H new ATOM 0 HA ASN A 56 7.301 5.334 -9.746 1.00 0.00 H new ATOM 0 HB2 ASN A 56 9.706 6.316 -10.463 1.00 0.00 H new ATOM 0 HB3 ASN A 56 10.042 4.624 -10.769 1.00 0.00 H new ATOM 0 HD21 ASN A 56 7.025 6.572 -12.893 1.00 0.00 H new ATOM 0 HD22 ASN A 56 7.461 7.044 -11.248 1.00 0.00 H new ATOM 919 N VAL A 57 7.232 2.910 -8.868 1.00 0.00 N ATOM 920 CA VAL A 57 7.106 1.473 -8.693 1.00 0.00 C ATOM 921 C VAL A 57 5.822 0.992 -9.373 1.00 0.00 C ATOM 922 O VAL A 57 4.726 1.201 -8.855 1.00 0.00 O ATOM 923 CB VAL A 57 7.163 1.119 -7.206 1.00 0.00 C ATOM 924 CG1 VAL A 57 8.501 0.469 -6.848 1.00 0.00 C ATOM 925 CG2 VAL A 57 6.903 2.353 -6.339 1.00 0.00 C ATOM 0 H VAL A 57 6.434 3.452 -8.536 1.00 0.00 H new ATOM 0 HA VAL A 57 7.940 0.956 -9.168 1.00 0.00 H new ATOM 0 HB VAL A 57 6.374 0.395 -7.003 1.00 0.00 H new ATOM 0 HG11 VAL A 57 8.515 0.227 -5.785 1.00 0.00 H new ATOM 0 HG12 VAL A 57 8.629 -0.444 -7.430 1.00 0.00 H new ATOM 0 HG13 VAL A 57 9.313 1.160 -7.074 1.00 0.00 H new ATOM 0 HG21 VAL A 57 6.949 2.074 -5.286 1.00 0.00 H new ATOM 0 HG22 VAL A 57 7.659 3.110 -6.547 1.00 0.00 H new ATOM 0 HG23 VAL A 57 5.915 2.755 -6.565 1.00 0.00 H new ATOM 935 N LEU A 58 6.000 0.358 -10.522 1.00 0.00 N ATOM 936 CA LEU A 58 4.869 -0.154 -11.278 1.00 0.00 C ATOM 937 C LEU A 58 4.131 -1.199 -10.439 1.00 0.00 C ATOM 938 O LEU A 58 4.321 -2.399 -10.629 1.00 0.00 O ATOM 939 CB LEU A 58 5.327 -0.672 -12.642 1.00 0.00 C ATOM 940 CG LEU A 58 4.233 -0.835 -13.700 1.00 0.00 C ATOM 941 CD1 LEU A 58 4.225 0.350 -14.667 1.00 0.00 C ATOM 942 CD2 LEU A 58 4.372 -2.172 -14.431 1.00 0.00 C ATOM 0 H LEU A 58 6.911 0.187 -10.949 1.00 0.00 H new ATOM 0 HA LEU A 58 4.158 0.645 -11.489 1.00 0.00 H new ATOM 0 HB2 LEU A 58 6.083 0.009 -13.032 1.00 0.00 H new ATOM 0 HB3 LEU A 58 5.812 -1.637 -12.498 1.00 0.00 H new ATOM 0 HG LEU A 58 3.267 -0.844 -13.195 1.00 0.00 H new ATOM 0 HD11 LEU A 58 3.439 0.209 -15.408 1.00 0.00 H new ATOM 0 HD12 LEU A 58 4.041 1.270 -14.113 1.00 0.00 H new ATOM 0 HD13 LEU A 58 5.190 0.416 -15.170 1.00 0.00 H new ATOM 0 HD21 LEU A 58 3.583 -2.263 -15.177 1.00 0.00 H new ATOM 0 HD22 LEU A 58 5.343 -2.218 -14.923 1.00 0.00 H new ATOM 0 HD23 LEU A 58 4.289 -2.989 -13.714 1.00 0.00 H new ATOM 954 N TRP A 59 3.306 -0.705 -9.527 1.00 0.00 N ATOM 955 CA TRP A 59 2.539 -1.581 -8.658 1.00 0.00 C ATOM 956 C TRP A 59 2.142 -2.818 -9.466 1.00 0.00 C ATOM 957 O TRP A 59 1.335 -2.728 -10.389 1.00 0.00 O ATOM 958 CB TRP A 59 1.338 -0.846 -8.061 1.00 0.00 C ATOM 959 CG TRP A 59 1.707 0.409 -7.268 1.00 0.00 C ATOM 960 CD1 TRP A 59 1.315 1.671 -7.490 1.00 0.00 C ATOM 961 CD2 TRP A 59 2.564 0.472 -6.108 1.00 0.00 C ATOM 962 NE1 TRP A 59 1.854 2.539 -6.562 1.00 0.00 N ATOM 963 CE2 TRP A 59 2.638 1.786 -5.695 1.00 0.00 C ATOM 964 CE3 TRP A 59 3.254 -0.549 -5.430 1.00 0.00 C ATOM 965 CZ2 TRP A 59 3.391 2.202 -4.590 1.00 0.00 C ATOM 966 CZ3 TRP A 59 4.002 -0.117 -4.329 1.00 0.00 C ATOM 967 CH2 TRP A 59 4.087 1.203 -3.900 1.00 0.00 C ATOM 0 H TRP A 59 3.152 0.291 -9.371 1.00 0.00 H new ATOM 0 HA TRP A 59 3.138 -1.900 -7.805 1.00 0.00 H new ATOM 0 HB2 TRP A 59 0.659 -0.567 -8.867 1.00 0.00 H new ATOM 0 HB3 TRP A 59 0.795 -1.529 -7.408 1.00 0.00 H new ATOM 0 HD1 TRP A 59 0.660 1.971 -8.294 1.00 0.00 H new ATOM 0 HE1 TRP A 59 1.705 3.547 -6.520 1.00 0.00 H new ATOM 0 HE3 TRP A 59 3.210 -1.584 -5.735 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 3.432 3.238 -4.287 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 4.552 -0.862 -3.773 1.00 0.00 H new ATOM 0 HH2 TRP A 59 4.687 1.456 -3.039 1.00 0.00 H new ATOM 978 N ASP A 60 2.728 -3.945 -9.089 1.00 0.00 N ATOM 979 CA ASP A 60 2.446 -5.199 -9.766 1.00 0.00 C ATOM 980 C ASP A 60 1.818 -6.180 -8.774 1.00 0.00 C ATOM 981 O ASP A 60 0.606 -6.387 -8.784 1.00 0.00 O ATOM 982 CB ASP A 60 3.728 -5.832 -10.310 1.00 0.00 C ATOM 983 CG ASP A 60 3.582 -7.276 -10.793 1.00 0.00 C ATOM 984 OD1 ASP A 60 3.091 -7.448 -11.930 1.00 0.00 O ATOM 985 OD2 ASP A 60 3.963 -8.177 -10.014 1.00 0.00 O ATOM 0 H ASP A 60 3.397 -4.016 -8.323 1.00 0.00 H new ATOM 0 HA ASP A 60 1.768 -4.990 -10.593 1.00 0.00 H new ATOM 0 HB2 ASP A 60 4.093 -5.223 -11.137 1.00 0.00 H new ATOM 0 HB3 ASP A 60 4.490 -5.801 -9.531 1.00 0.00 H new ATOM 990 N GLU A 61 2.672 -6.757 -7.941 1.00 0.00 N ATOM 991 CA GLU A 61 2.216 -7.711 -6.945 1.00 0.00 C ATOM 992 C GLU A 61 3.379 -8.138 -6.048 1.00 0.00 C ATOM 993 O GLU A 61 3.208 -8.309 -4.842 1.00 0.00 O ATOM 994 CB GLU A 61 1.560 -8.925 -7.607 1.00 0.00 C ATOM 995 CG GLU A 61 0.695 -9.694 -6.607 1.00 0.00 C ATOM 996 CD GLU A 61 -0.164 -10.741 -7.318 1.00 0.00 C ATOM 997 OE1 GLU A 61 0.356 -11.344 -8.281 1.00 0.00 O ATOM 998 OE2 GLU A 61 -1.323 -10.915 -6.882 1.00 0.00 O ATOM 0 H GLU A 61 3.677 -6.582 -7.936 1.00 0.00 H new ATOM 0 HA GLU A 61 1.463 -7.226 -6.324 1.00 0.00 H new ATOM 0 HB2 GLU A 61 0.947 -8.599 -8.447 1.00 0.00 H new ATOM 0 HB3 GLU A 61 2.329 -9.584 -8.010 1.00 0.00 H new ATOM 0 HG2 GLU A 61 1.332 -10.181 -5.869 1.00 0.00 H new ATOM 0 HG3 GLU A 61 0.054 -8.999 -6.065 1.00 0.00 H new ATOM 1005 N ASN A 62 4.538 -8.298 -6.671 1.00 0.00 N ATOM 1006 CA ASN A 62 5.729 -8.702 -5.944 1.00 0.00 C ATOM 1007 C ASN A 62 6.434 -7.459 -5.397 1.00 0.00 C ATOM 1008 O ASN A 62 6.799 -7.413 -4.224 1.00 0.00 O ATOM 1009 CB ASN A 62 6.710 -9.437 -6.859 1.00 0.00 C ATOM 1010 CG ASN A 62 6.175 -10.820 -7.237 1.00 0.00 C ATOM 1011 OD1 ASN A 62 6.916 -11.775 -7.406 1.00 0.00 O ATOM 1012 ND2 ASN A 62 4.852 -10.874 -7.360 1.00 0.00 N ATOM 0 H ASN A 62 4.677 -8.155 -7.671 1.00 0.00 H new ATOM 0 HA ASN A 62 5.422 -9.367 -5.137 1.00 0.00 H new ATOM 0 HB2 ASN A 62 6.881 -8.850 -7.761 1.00 0.00 H new ATOM 0 HB3 ASN A 62 7.673 -9.540 -6.358 1.00 0.00 H new ATOM 0 HD21 ASN A 62 4.398 -11.753 -7.610 1.00 0.00 H new ATOM 0 HD22 ASN A 62 4.291 -10.037 -7.204 1.00 0.00 H new ATOM 1019 N ASN A 63 6.603 -6.480 -6.274 1.00 0.00 N ATOM 1020 CA ASN A 63 7.257 -5.240 -5.895 1.00 0.00 C ATOM 1021 C ASN A 63 6.587 -4.678 -4.639 1.00 0.00 C ATOM 1022 O ASN A 63 7.265 -4.215 -3.723 1.00 0.00 O ATOM 1023 CB ASN A 63 7.138 -4.192 -7.003 1.00 0.00 C ATOM 1024 CG ASN A 63 5.735 -3.582 -7.032 1.00 0.00 C ATOM 1025 OD1 ASN A 63 4.740 -4.258 -7.234 1.00 0.00 O ATOM 1026 ND2 ASN A 63 5.711 -2.269 -6.820 1.00 0.00 N ATOM 0 H ASN A 63 6.298 -6.521 -7.246 1.00 0.00 H new ATOM 0 HA ASN A 63 8.310 -5.456 -5.716 1.00 0.00 H new ATOM 0 HB2 ASN A 63 7.877 -3.406 -6.846 1.00 0.00 H new ATOM 0 HB3 ASN A 63 7.359 -4.650 -7.967 1.00 0.00 H new ATOM 0 HD21 ASN A 63 4.822 -1.769 -6.820 1.00 0.00 H new ATOM 0 HD22 ASN A 63 6.581 -1.763 -6.657 1.00 0.00 H new ATOM 1033 N MET A 64 5.263 -4.737 -4.637 1.00 0.00 N ATOM 1034 CA MET A 64 4.494 -4.240 -3.509 1.00 0.00 C ATOM 1035 C MET A 64 4.981 -4.860 -2.197 1.00 0.00 C ATOM 1036 O MET A 64 5.491 -4.157 -1.326 1.00 0.00 O ATOM 1037 CB MET A 64 3.015 -4.574 -3.713 1.00 0.00 C ATOM 1038 CG MET A 64 2.236 -4.440 -2.403 1.00 0.00 C ATOM 1039 SD MET A 64 0.502 -4.749 -2.688 1.00 0.00 S ATOM 1040 CE MET A 64 -0.033 -3.110 -3.152 1.00 0.00 C ATOM 0 H MET A 64 4.704 -5.121 -5.398 1.00 0.00 H new ATOM 0 HA MET A 64 4.627 -3.160 -3.450 1.00 0.00 H new ATOM 0 HB2 MET A 64 2.589 -3.908 -4.463 1.00 0.00 H new ATOM 0 HB3 MET A 64 2.918 -5.590 -4.096 1.00 0.00 H new ATOM 0 HG2 MET A 64 2.623 -5.145 -1.667 1.00 0.00 H new ATOM 0 HG3 MET A 64 2.372 -3.441 -1.990 1.00 0.00 H new ATOM 0 HE1 MET A 64 -1.090 -3.134 -3.417 1.00 0.00 H new ATOM 0 HE2 MET A 64 0.116 -2.428 -2.315 1.00 0.00 H new ATOM 0 HE3 MET A 64 0.548 -2.766 -4.008 1.00 0.00 H new ATOM 1050 N SER A 65 4.807 -6.170 -2.098 1.00 0.00 N ATOM 1051 CA SER A 65 5.223 -6.892 -0.908 1.00 0.00 C ATOM 1052 C SER A 65 6.585 -6.381 -0.435 1.00 0.00 C ATOM 1053 O SER A 65 6.826 -6.264 0.766 1.00 0.00 O ATOM 1054 CB SER A 65 5.282 -8.398 -1.170 1.00 0.00 C ATOM 1055 OG SER A 65 5.525 -9.138 0.024 1.00 0.00 O ATOM 0 H SER A 65 4.384 -6.750 -2.823 1.00 0.00 H new ATOM 0 HA SER A 65 4.485 -6.716 -0.126 1.00 0.00 H new ATOM 0 HB2 SER A 65 4.342 -8.726 -1.615 1.00 0.00 H new ATOM 0 HB3 SER A 65 6.069 -8.610 -1.894 1.00 0.00 H new ATOM 0 HG SER A 65 5.554 -10.095 -0.185 1.00 0.00 H new ATOM 1061 N GLU A 66 7.441 -6.091 -1.404 1.00 0.00 N ATOM 1062 CA GLU A 66 8.774 -5.596 -1.102 1.00 0.00 C ATOM 1063 C GLU A 66 8.688 -4.322 -0.258 1.00 0.00 C ATOM 1064 O GLU A 66 9.416 -4.172 0.722 1.00 0.00 O ATOM 1065 CB GLU A 66 9.571 -5.351 -2.384 1.00 0.00 C ATOM 1066 CG GLU A 66 11.038 -5.748 -2.201 1.00 0.00 C ATOM 1067 CD GLU A 66 11.556 -6.511 -3.422 1.00 0.00 C ATOM 1068 OE1 GLU A 66 11.704 -5.859 -4.478 1.00 0.00 O ATOM 1069 OE2 GLU A 66 11.792 -7.729 -3.271 1.00 0.00 O ATOM 0 H GLU A 66 7.238 -6.189 -2.399 1.00 0.00 H new ATOM 0 HA GLU A 66 9.301 -6.356 -0.525 1.00 0.00 H new ATOM 0 HB2 GLU A 66 9.135 -5.923 -3.203 1.00 0.00 H new ATOM 0 HB3 GLU A 66 9.507 -4.299 -2.661 1.00 0.00 H new ATOM 0 HG2 GLU A 66 11.643 -4.855 -2.042 1.00 0.00 H new ATOM 0 HG3 GLU A 66 11.143 -6.367 -1.310 1.00 0.00 H new ATOM 1076 N TYR A 67 7.791 -3.438 -0.669 1.00 0.00 N ATOM 1077 CA TYR A 67 7.601 -2.182 0.037 1.00 0.00 C ATOM 1078 C TYR A 67 6.749 -2.382 1.292 1.00 0.00 C ATOM 1079 O TYR A 67 6.923 -1.676 2.284 1.00 0.00 O ATOM 1080 CB TYR A 67 6.853 -1.263 -0.932 1.00 0.00 C ATOM 1081 CG TYR A 67 6.048 -0.158 -0.245 1.00 0.00 C ATOM 1082 CD1 TYR A 67 6.683 0.983 0.200 1.00 0.00 C ATOM 1083 CD2 TYR A 67 4.687 -0.303 -0.070 1.00 0.00 C ATOM 1084 CE1 TYR A 67 5.925 2.023 0.846 1.00 0.00 C ATOM 1085 CE2 TYR A 67 3.929 0.737 0.576 1.00 0.00 C ATOM 1086 CZ TYR A 67 4.586 1.849 1.003 1.00 0.00 C ATOM 1087 OH TYR A 67 3.870 2.831 1.613 1.00 0.00 O ATOM 0 H TYR A 67 7.188 -3.566 -1.482 1.00 0.00 H new ATOM 0 HA TYR A 67 8.560 -1.768 0.350 1.00 0.00 H new ATOM 0 HB2 TYR A 67 7.572 -0.806 -1.611 1.00 0.00 H new ATOM 0 HB3 TYR A 67 6.178 -1.865 -1.540 1.00 0.00 H new ATOM 0 HD1 TYR A 67 7.748 1.096 0.064 1.00 0.00 H new ATOM 0 HD2 TYR A 67 4.190 -1.197 -0.418 1.00 0.00 H new ATOM 0 HE1 TYR A 67 6.410 2.922 1.198 1.00 0.00 H new ATOM 0 HE2 TYR A 67 2.863 0.636 0.718 1.00 0.00 H new ATOM 0 HH TYR A 67 3.069 2.444 2.024 1.00 0.00 H new ATOM 1097 N LEU A 68 5.846 -3.348 1.207 1.00 0.00 N ATOM 1098 CA LEU A 68 4.966 -3.650 2.324 1.00 0.00 C ATOM 1099 C LEU A 68 5.801 -4.148 3.505 1.00 0.00 C ATOM 1100 O LEU A 68 5.654 -3.659 4.624 1.00 0.00 O ATOM 1101 CB LEU A 68 3.868 -4.624 1.892 1.00 0.00 C ATOM 1102 CG LEU A 68 2.876 -4.099 0.853 1.00 0.00 C ATOM 1103 CD1 LEU A 68 1.776 -5.126 0.578 1.00 0.00 C ATOM 1104 CD2 LEU A 68 2.303 -2.745 1.278 1.00 0.00 C ATOM 0 H LEU A 68 5.705 -3.932 0.382 1.00 0.00 H new ATOM 0 HA LEU A 68 4.449 -2.750 2.656 1.00 0.00 H new ATOM 0 HB2 LEU A 68 4.342 -5.520 1.492 1.00 0.00 H new ATOM 0 HB3 LEU A 68 3.310 -4.927 2.778 1.00 0.00 H new ATOM 0 HG LEU A 68 3.412 -3.943 -0.083 1.00 0.00 H new ATOM 0 HD11 LEU A 68 1.084 -4.728 -0.164 1.00 0.00 H new ATOM 0 HD12 LEU A 68 2.223 -6.046 0.201 1.00 0.00 H new ATOM 0 HD13 LEU A 68 1.236 -5.337 1.501 1.00 0.00 H new ATOM 0 HD21 LEU A 68 1.601 -2.394 0.522 1.00 0.00 H new ATOM 0 HD22 LEU A 68 1.786 -2.852 2.232 1.00 0.00 H new ATOM 0 HD23 LEU A 68 3.113 -2.024 1.383 1.00 0.00 H new ATOM 1116 N THR A 69 6.660 -5.115 3.215 1.00 0.00 N ATOM 1117 CA THR A 69 7.518 -5.684 4.240 1.00 0.00 C ATOM 1118 C THR A 69 8.530 -4.645 4.727 1.00 0.00 C ATOM 1119 O THR A 69 8.739 -4.493 5.930 1.00 0.00 O ATOM 1120 CB THR A 69 8.170 -6.943 3.664 1.00 0.00 C ATOM 1121 OG1 THR A 69 8.739 -7.590 4.799 1.00 0.00 O ATOM 1122 CG2 THR A 69 9.374 -6.624 2.775 1.00 0.00 C ATOM 0 H THR A 69 6.780 -5.518 2.286 1.00 0.00 H new ATOM 0 HA THR A 69 6.944 -5.970 5.122 1.00 0.00 H new ATOM 0 HB THR A 69 7.432 -7.503 3.089 1.00 0.00 H new ATOM 0 HG1 THR A 69 9.615 -7.960 4.560 1.00 0.00 H new ATOM 0 HG21 THR A 69 9.800 -7.552 2.392 1.00 0.00 H new ATOM 0 HG22 THR A 69 9.055 -6.000 1.941 1.00 0.00 H new ATOM 0 HG23 THR A 69 10.126 -6.093 3.358 1.00 0.00 H new ATOM 1130 N ASN A 70 9.130 -3.955 3.768 1.00 0.00 N ATOM 1131 CA ASN A 70 10.114 -2.934 4.084 1.00 0.00 C ATOM 1132 C ASN A 70 9.713 -1.620 3.411 1.00 0.00 C ATOM 1133 O ASN A 70 10.327 -1.210 2.427 1.00 0.00 O ATOM 1134 CB ASN A 70 11.500 -3.326 3.568 1.00 0.00 C ATOM 1135 CG ASN A 70 12.601 -2.734 4.450 1.00 0.00 C ATOM 1136 OD1 ASN A 70 12.390 -1.805 5.211 1.00 0.00 O ATOM 1137 ND2 ASN A 70 13.785 -3.323 4.305 1.00 0.00 N ATOM 0 H ASN A 70 8.953 -4.083 2.772 1.00 0.00 H new ATOM 0 HA ASN A 70 10.151 -2.825 5.168 1.00 0.00 H new ATOM 0 HB2 ASN A 70 11.590 -4.412 3.547 1.00 0.00 H new ATOM 0 HB3 ASN A 70 11.623 -2.976 2.543 1.00 0.00 H new ATOM 0 HD21 ASN A 70 14.585 -3.001 4.850 1.00 0.00 H new ATOM 0 HD22 ASN A 70 13.893 -4.097 3.649 1.00 0.00 H new ATOM 1144 N PRO A 71 8.659 -0.979 3.983 1.00 0.00 N ATOM 1145 CA PRO A 71 8.169 0.280 3.448 1.00 0.00 C ATOM 1146 C PRO A 71 9.109 1.432 3.810 1.00 0.00 C ATOM 1147 O PRO A 71 9.207 2.346 3.011 1.00 0.00 O ATOM 1148 CB PRO A 71 6.777 0.442 4.037 1.00 0.00 C ATOM 1149 CG PRO A 71 6.720 -0.490 5.236 1.00 0.00 C ATOM 1150 CD PRO A 71 7.907 -1.436 5.148 1.00 0.00 C ATOM 0 HA PRO A 71 8.130 0.288 2.359 1.00 0.00 H new ATOM 0 HB2 PRO A 71 6.597 1.475 4.336 1.00 0.00 H new ATOM 0 HB3 PRO A 71 6.011 0.184 3.305 1.00 0.00 H new ATOM 0 HG2 PRO A 71 6.754 0.080 6.164 1.00 0.00 H new ATOM 0 HG3 PRO A 71 5.785 -1.050 5.240 1.00 0.00 H new ATOM 0 HD2 PRO A 71 8.514 -1.395 6.052 1.00 0.00 H new ATOM 0 HD3 PRO A 71 7.582 -2.470 5.029 1.00 0.00 H new ATOM 1189 N LYS A 73 12.382 1.249 4.317 1.00 0.00 N ATOM 1190 CA LYS A 73 13.652 1.144 3.619 1.00 0.00 C ATOM 1191 C LYS A 73 13.450 1.504 2.145 1.00 0.00 C ATOM 1192 O LYS A 73 13.922 2.543 1.686 1.00 0.00 O ATOM 1193 CB LYS A 73 14.269 -0.239 3.835 1.00 0.00 C ATOM 1194 CG LYS A 73 15.743 -0.251 3.425 1.00 0.00 C ATOM 1195 CD LYS A 73 16.603 0.491 4.450 1.00 0.00 C ATOM 1196 CE LYS A 73 17.797 1.170 3.775 1.00 0.00 C ATOM 1197 NZ LYS A 73 17.622 2.640 3.769 1.00 0.00 N ATOM 0 HA LYS A 73 14.371 1.855 4.026 1.00 0.00 H new ATOM 0 HB2 LYS A 73 14.177 -0.523 4.883 1.00 0.00 H new ATOM 0 HB3 LYS A 73 13.720 -0.981 3.255 1.00 0.00 H new ATOM 0 HG2 LYS A 73 16.090 -1.280 3.331 1.00 0.00 H new ATOM 0 HG3 LYS A 73 15.856 0.214 2.446 1.00 0.00 H new ATOM 0 HD2 LYS A 73 15.999 1.238 4.965 1.00 0.00 H new ATOM 0 HD3 LYS A 73 16.958 -0.209 5.207 1.00 0.00 H new ATOM 0 HE2 LYS A 73 18.716 0.909 4.300 1.00 0.00 H new ATOM 0 HE3 LYS A 73 17.900 0.806 2.753 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 18.441 3.085 3.307 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 16.756 2.884 3.248 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 17.546 2.985 4.747 1.00 0.00 H new ATOM 1211 N TYR A 74 12.748 0.625 1.445 1.00 0.00 N ATOM 1212 CA TYR A 74 12.478 0.837 0.034 1.00 0.00 C ATOM 1213 C TYR A 74 12.189 2.312 -0.254 1.00 0.00 C ATOM 1214 O TYR A 74 12.755 2.890 -1.180 1.00 0.00 O ATOM 1215 CB TYR A 74 11.229 0.013 -0.285 1.00 0.00 C ATOM 1216 CG TYR A 74 11.015 -0.240 -1.779 1.00 0.00 C ATOM 1217 CD1 TYR A 74 10.913 0.824 -2.652 1.00 0.00 C ATOM 1218 CD2 TYR A 74 10.924 -1.533 -2.253 1.00 0.00 C ATOM 1219 CE1 TYR A 74 10.712 0.585 -4.058 1.00 0.00 C ATOM 1220 CE2 TYR A 74 10.723 -1.772 -3.659 1.00 0.00 C ATOM 1221 CZ TYR A 74 10.627 -0.701 -4.492 1.00 0.00 C ATOM 1222 OH TYR A 74 10.437 -0.926 -5.820 1.00 0.00 O ATOM 0 H TYR A 74 12.358 -0.236 1.829 1.00 0.00 H new ATOM 0 HA TYR A 74 13.337 0.544 -0.569 1.00 0.00 H new ATOM 0 HB2 TYR A 74 11.298 -0.946 0.229 1.00 0.00 H new ATOM 0 HB3 TYR A 74 10.355 0.527 0.115 1.00 0.00 H new ATOM 0 HD1 TYR A 74 10.984 1.836 -2.281 1.00 0.00 H new ATOM 0 HD2 TYR A 74 11.004 -2.366 -1.570 1.00 0.00 H new ATOM 0 HE1 TYR A 74 10.631 1.409 -4.752 1.00 0.00 H new ATOM 0 HE2 TYR A 74 10.650 -2.779 -4.043 1.00 0.00 H new ATOM 0 HH TYR A 74 10.397 -1.891 -5.986 1.00 0.00 H new ATOM 1232 N ILE A 75 11.307 2.878 0.558 1.00 0.00 N ATOM 1233 CA ILE A 75 10.936 4.274 0.402 1.00 0.00 C ATOM 1234 C ILE A 75 11.421 5.065 1.619 1.00 0.00 C ATOM 1235 O ILE A 75 10.858 4.946 2.706 1.00 0.00 O ATOM 1236 CB ILE A 75 9.434 4.404 0.143 1.00 0.00 C ATOM 1237 CG1 ILE A 75 9.053 3.779 -1.200 1.00 0.00 C ATOM 1238 CG2 ILE A 75 8.983 5.862 0.246 1.00 0.00 C ATOM 1239 CD1 ILE A 75 7.536 3.627 -1.324 1.00 0.00 C ATOM 0 H ILE A 75 10.839 2.395 1.325 1.00 0.00 H new ATOM 0 HA ILE A 75 11.425 4.702 -0.473 1.00 0.00 H new ATOM 0 HB ILE A 75 8.905 3.849 0.918 1.00 0.00 H new ATOM 0 HG12 ILE A 75 9.427 4.400 -2.013 1.00 0.00 H new ATOM 0 HG13 ILE A 75 9.529 2.803 -1.299 1.00 0.00 H new ATOM 0 HG21 ILE A 75 7.911 5.926 0.057 1.00 0.00 H new ATOM 0 HG22 ILE A 75 9.199 6.240 1.245 1.00 0.00 H new ATOM 0 HG23 ILE A 75 9.517 6.461 -0.491 1.00 0.00 H new ATOM 0 HD11 ILE A 75 7.293 3.180 -2.288 1.00 0.00 H new ATOM 0 HD12 ILE A 75 7.168 2.985 -0.523 1.00 0.00 H new ATOM 0 HD13 ILE A 75 7.065 4.607 -1.249 1.00 0.00 H new ATOM 1251 N PRO A 76 12.489 5.876 1.389 1.00 0.00 N ATOM 1252 CA PRO A 76 13.056 6.686 2.454 1.00 0.00 C ATOM 1253 C PRO A 76 12.163 7.890 2.761 1.00 0.00 C ATOM 1254 O PRO A 76 12.100 8.837 1.978 1.00 0.00 O ATOM 1255 CB PRO A 76 14.436 7.081 1.955 1.00 0.00 C ATOM 1256 CG PRO A 76 14.411 6.871 0.450 1.00 0.00 C ATOM 1257 CD PRO A 76 13.181 6.042 0.115 1.00 0.00 C ATOM 0 HA PRO A 76 13.128 6.148 3.399 1.00 0.00 H new ATOM 0 HB2 PRO A 76 14.658 8.120 2.201 1.00 0.00 H new ATOM 0 HB3 PRO A 76 15.209 6.471 2.422 1.00 0.00 H new ATOM 0 HG2 PRO A 76 14.378 7.829 -0.069 1.00 0.00 H new ATOM 0 HG3 PRO A 76 15.316 6.361 0.121 1.00 0.00 H new ATOM 0 HD2 PRO A 76 12.550 6.547 -0.616 1.00 0.00 H new ATOM 0 HD3 PRO A 76 13.457 5.079 -0.314 1.00 0.00 H new ATOM 1265 N GLY A 77 11.495 7.815 3.903 1.00 0.00 N ATOM 1266 CA GLY A 77 10.610 8.888 4.324 1.00 0.00 C ATOM 1267 C GLY A 77 9.154 8.561 3.985 1.00 0.00 C ATOM 1268 O GLY A 77 8.360 9.459 3.710 1.00 0.00 O ATOM 0 H GLY A 77 11.549 7.028 4.550 1.00 0.00 H new ATOM 0 HA2 GLY A 77 10.710 9.047 5.398 1.00 0.00 H new ATOM 0 HA3 GLY A 77 10.901 9.818 3.835 1.00 0.00 H new ATOM 1272 N THR A 78 8.848 7.272 4.015 1.00 0.00 N ATOM 1273 CA THR A 78 7.502 6.815 3.714 1.00 0.00 C ATOM 1274 C THR A 78 6.576 7.060 4.908 1.00 0.00 C ATOM 1275 O THR A 78 6.709 6.411 5.944 1.00 0.00 O ATOM 1276 CB THR A 78 7.583 5.345 3.300 1.00 0.00 C ATOM 1277 OG1 THR A 78 6.386 5.127 2.558 1.00 0.00 O ATOM 1278 CG2 THR A 78 7.461 4.393 4.492 1.00 0.00 C ATOM 0 H THR A 78 9.509 6.530 4.243 1.00 0.00 H new ATOM 0 HA THR A 78 7.070 7.377 2.886 1.00 0.00 H new ATOM 0 HB THR A 78 8.527 5.164 2.786 1.00 0.00 H new ATOM 0 HG1 THR A 78 6.019 4.246 2.781 1.00 0.00 H new ATOM 0 HG21 THR A 78 7.525 3.362 4.143 1.00 0.00 H new ATOM 0 HG22 THR A 78 8.269 4.588 5.197 1.00 0.00 H new ATOM 0 HG23 THR A 78 6.502 4.550 4.986 1.00 0.00 H new ATOM 1286 N LYS A 79 5.659 7.998 4.722 1.00 0.00 N ATOM 1287 CA LYS A 79 4.712 8.337 5.771 1.00 0.00 C ATOM 1288 C LYS A 79 4.109 7.052 6.342 1.00 0.00 C ATOM 1289 O LYS A 79 3.714 7.011 7.506 1.00 0.00 O ATOM 1290 CB LYS A 79 3.669 9.328 5.251 1.00 0.00 C ATOM 1291 CG LYS A 79 2.594 9.597 6.307 1.00 0.00 C ATOM 1292 CD LYS A 79 1.368 10.266 5.683 1.00 0.00 C ATOM 1293 CE LYS A 79 1.090 11.620 6.336 1.00 0.00 C ATOM 1294 NZ LYS A 79 -0.329 12.002 6.156 1.00 0.00 N ATOM 0 H LYS A 79 5.552 8.534 3.861 1.00 0.00 H new ATOM 0 HA LYS A 79 5.218 8.844 6.592 1.00 0.00 H new ATOM 0 HB2 LYS A 79 4.156 10.264 4.976 1.00 0.00 H new ATOM 0 HB3 LYS A 79 3.205 8.933 4.347 1.00 0.00 H new ATOM 0 HG2 LYS A 79 2.300 8.659 6.779 1.00 0.00 H new ATOM 0 HG3 LYS A 79 3.001 10.235 7.091 1.00 0.00 H new ATOM 0 HD2 LYS A 79 1.528 10.400 4.613 1.00 0.00 H new ATOM 0 HD3 LYS A 79 0.499 9.618 5.797 1.00 0.00 H new ATOM 0 HE2 LYS A 79 1.328 11.573 7.399 1.00 0.00 H new ATOM 0 HE3 LYS A 79 1.736 12.381 5.898 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -0.500 12.924 6.606 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -0.545 12.067 5.141 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -0.940 11.284 6.595 1.00 0.00 H new ATOM 1308 N MET A 80 4.056 6.034 5.495 1.00 0.00 N ATOM 1309 CA MET A 80 3.508 4.751 5.901 1.00 0.00 C ATOM 1310 C MET A 80 4.305 4.156 7.063 1.00 0.00 C ATOM 1311 O MET A 80 5.243 3.389 6.848 1.00 0.00 O ATOM 1312 CB MET A 80 3.536 3.785 4.714 1.00 0.00 C ATOM 1313 CG MET A 80 3.064 2.391 5.131 1.00 0.00 C ATOM 1314 SD MET A 80 2.605 1.445 3.688 1.00 0.00 S ATOM 1315 CE MET A 80 2.756 -0.209 4.340 1.00 0.00 C ATOM 0 H MET A 80 4.383 6.072 4.530 1.00 0.00 H new ATOM 0 HA MET A 80 2.481 4.905 6.232 1.00 0.00 H new ATOM 0 HB2 MET A 80 2.898 4.165 3.916 1.00 0.00 H new ATOM 0 HB3 MET A 80 4.548 3.725 4.313 1.00 0.00 H new ATOM 0 HG2 MET A 80 3.856 1.878 5.676 1.00 0.00 H new ATOM 0 HG3 MET A 80 2.214 2.473 5.808 1.00 0.00 H new ATOM 0 HE1 MET A 80 2.875 -0.915 3.518 1.00 0.00 H new ATOM 0 HE2 MET A 80 3.626 -0.264 4.994 1.00 0.00 H new ATOM 0 HE3 MET A 80 1.859 -0.460 4.907 1.00 0.00 H new ATOM 1325 N ALA A 81 3.905 4.533 8.268 1.00 0.00 N ATOM 1326 CA ALA A 81 4.570 4.046 9.464 1.00 0.00 C ATOM 1327 C ALA A 81 3.940 2.719 9.890 1.00 0.00 C ATOM 1328 O ALA A 81 3.191 2.667 10.864 1.00 0.00 O ATOM 1329 CB ALA A 81 4.489 5.108 10.562 1.00 0.00 C ATOM 0 H ALA A 81 3.128 5.171 8.442 1.00 0.00 H new ATOM 0 HA ALA A 81 5.626 3.861 9.266 1.00 0.00 H new ATOM 0 HB1 ALA A 81 4.988 4.742 11.459 1.00 0.00 H new ATOM 0 HB2 ALA A 81 4.977 6.021 10.222 1.00 0.00 H new ATOM 0 HB3 ALA A 81 3.444 5.318 10.788 1.00 0.00 H new ATOM 1335 N PHE A 82 4.265 1.677 9.137 1.00 0.00 N ATOM 1336 CA PHE A 82 3.740 0.354 9.424 1.00 0.00 C ATOM 1337 C PHE A 82 4.815 -0.540 10.046 1.00 0.00 C ATOM 1338 O PHE A 82 5.959 -0.549 9.592 1.00 0.00 O ATOM 1339 CB PHE A 82 3.299 -0.252 8.090 1.00 0.00 C ATOM 1340 CG PHE A 82 3.068 -1.763 8.138 1.00 0.00 C ATOM 1341 CD1 PHE A 82 2.326 -2.306 9.140 1.00 0.00 C ATOM 1342 CD2 PHE A 82 3.605 -2.564 7.179 1.00 0.00 C ATOM 1343 CE1 PHE A 82 2.112 -3.709 9.185 1.00 0.00 C ATOM 1344 CE2 PHE A 82 3.391 -3.967 7.224 1.00 0.00 C ATOM 1345 CZ PHE A 82 2.649 -4.510 8.226 1.00 0.00 C ATOM 0 H PHE A 82 4.885 1.724 8.329 1.00 0.00 H new ATOM 0 HA PHE A 82 2.913 0.428 10.131 1.00 0.00 H new ATOM 0 HB2 PHE A 82 2.379 0.236 7.768 1.00 0.00 H new ATOM 0 HB3 PHE A 82 4.056 -0.034 7.336 1.00 0.00 H new ATOM 0 HD1 PHE A 82 1.899 -1.670 9.902 1.00 0.00 H new ATOM 0 HD2 PHE A 82 4.194 -2.133 6.383 1.00 0.00 H new ATOM 0 HE1 PHE A 82 1.523 -4.140 9.981 1.00 0.00 H new ATOM 0 HE2 PHE A 82 3.818 -4.603 6.462 1.00 0.00 H new ATOM 0 HZ PHE A 82 2.486 -5.577 8.260 1.00 0.00 H new ATOM 1355 N GLY A 83 4.410 -1.271 11.074 1.00 0.00 N ATOM 1356 CA GLY A 83 5.325 -2.167 11.762 1.00 0.00 C ATOM 1357 C GLY A 83 6.039 -3.088 10.771 1.00 0.00 C ATOM 1358 O GLY A 83 7.267 -3.097 10.701 1.00 0.00 O ATOM 0 H GLY A 83 3.461 -1.261 11.447 1.00 0.00 H new ATOM 0 HA2 GLY A 83 6.060 -1.585 12.318 1.00 0.00 H new ATOM 0 HA3 GLY A 83 4.776 -2.765 12.489 1.00 0.00 H new ATOM 1362 N GLY A 84 5.240 -3.841 10.030 1.00 0.00 N ATOM 1363 CA GLY A 84 5.780 -4.763 9.046 1.00 0.00 C ATOM 1364 C GLY A 84 5.172 -6.158 9.210 1.00 0.00 C ATOM 1365 O GLY A 84 5.193 -6.723 10.302 1.00 0.00 O ATOM 0 H GLY A 84 4.222 -3.831 10.091 1.00 0.00 H new ATOM 0 HA2 GLY A 84 5.577 -4.389 8.042 1.00 0.00 H new ATOM 0 HA3 GLY A 84 6.863 -4.820 9.152 1.00 0.00 H new ATOM 1369 N LEU A 85 4.646 -6.673 8.108 1.00 0.00 N ATOM 1370 CA LEU A 85 4.034 -7.990 8.116 1.00 0.00 C ATOM 1371 C LEU A 85 5.081 -9.032 8.515 1.00 0.00 C ATOM 1372 O LEU A 85 4.968 -9.660 9.567 1.00 0.00 O ATOM 1373 CB LEU A 85 3.362 -8.277 6.772 1.00 0.00 C ATOM 1374 CG LEU A 85 2.295 -7.274 6.328 1.00 0.00 C ATOM 1375 CD1 LEU A 85 1.906 -7.499 4.866 1.00 0.00 C ATOM 1376 CD2 LEU A 85 1.080 -7.319 7.258 1.00 0.00 C ATOM 0 H LEU A 85 4.631 -6.201 7.204 1.00 0.00 H new ATOM 0 HA LEU A 85 3.239 -8.036 8.860 1.00 0.00 H new ATOM 0 HB2 LEU A 85 4.134 -8.320 6.004 1.00 0.00 H new ATOM 0 HB3 LEU A 85 2.905 -9.266 6.820 1.00 0.00 H new ATOM 0 HG LEU A 85 2.718 -6.272 6.398 1.00 0.00 H new ATOM 0 HD11 LEU A 85 1.146 -6.773 4.576 1.00 0.00 H new ATOM 0 HD12 LEU A 85 2.785 -7.377 4.233 1.00 0.00 H new ATOM 0 HD13 LEU A 85 1.509 -8.507 4.746 1.00 0.00 H new ATOM 0 HD21 LEU A 85 0.337 -6.597 6.921 1.00 0.00 H new ATOM 0 HD22 LEU A 85 0.647 -8.319 7.243 1.00 0.00 H new ATOM 0 HD23 LEU A 85 1.390 -7.073 8.274 1.00 0.00 H new ATOM 1388 N LYS A 86 6.076 -9.184 7.654 1.00 0.00 N ATOM 1389 CA LYS A 86 7.143 -10.139 7.903 1.00 0.00 C ATOM 1390 C LYS A 86 6.716 -11.517 7.395 1.00 0.00 C ATOM 1391 O LYS A 86 7.302 -12.043 6.449 1.00 0.00 O ATOM 1392 CB LYS A 86 7.540 -10.124 9.381 1.00 0.00 C ATOM 1393 CG LYS A 86 8.968 -10.641 9.569 1.00 0.00 C ATOM 1394 CD LYS A 86 9.863 -9.566 10.190 1.00 0.00 C ATOM 1395 CE LYS A 86 9.780 -9.599 11.717 1.00 0.00 C ATOM 1396 NZ LYS A 86 11.097 -9.283 12.315 1.00 0.00 N ATOM 0 H LYS A 86 6.166 -8.662 6.783 1.00 0.00 H new ATOM 0 HA LYS A 86 8.041 -9.860 7.352 1.00 0.00 H new ATOM 0 HB2 LYS A 86 7.462 -9.110 9.772 1.00 0.00 H new ATOM 0 HB3 LYS A 86 6.847 -10.741 9.954 1.00 0.00 H new ATOM 0 HG2 LYS A 86 8.958 -11.524 10.208 1.00 0.00 H new ATOM 0 HG3 LYS A 86 9.377 -10.948 8.607 1.00 0.00 H new ATOM 0 HD2 LYS A 86 10.895 -9.720 9.875 1.00 0.00 H new ATOM 0 HD3 LYS A 86 9.562 -8.583 9.827 1.00 0.00 H new ATOM 0 HE2 LYS A 86 9.036 -8.881 12.062 1.00 0.00 H new ATOM 0 HE3 LYS A 86 9.451 -10.584 12.048 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 11.023 -9.310 13.352 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 11.798 -9.983 12.000 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 11.396 -8.334 12.014 1.00 0.00 H new ATOM 1410 N LYS A 87 5.699 -12.063 8.044 1.00 0.00 N ATOM 1411 CA LYS A 87 5.187 -13.371 7.670 1.00 0.00 C ATOM 1412 C LYS A 87 4.728 -13.335 6.211 1.00 0.00 C ATOM 1413 O LYS A 87 3.603 -12.931 5.920 1.00 0.00 O ATOM 1414 CB LYS A 87 4.098 -13.820 8.646 1.00 0.00 C ATOM 1415 CG LYS A 87 4.673 -14.037 10.047 1.00 0.00 C ATOM 1416 CD LYS A 87 5.567 -15.279 10.086 1.00 0.00 C ATOM 1417 CE LYS A 87 7.006 -14.907 10.449 1.00 0.00 C ATOM 1418 NZ LYS A 87 7.953 -15.900 9.894 1.00 0.00 N ATOM 0 H LYS A 87 5.215 -11.624 8.827 1.00 0.00 H new ATOM 0 HA LYS A 87 5.974 -14.122 7.740 1.00 0.00 H new ATOM 0 HB2 LYS A 87 3.308 -13.070 8.685 1.00 0.00 H new ATOM 0 HB3 LYS A 87 3.643 -14.744 8.289 1.00 0.00 H new ATOM 0 HG2 LYS A 87 5.248 -13.161 10.348 1.00 0.00 H new ATOM 0 HG3 LYS A 87 3.860 -14.147 10.765 1.00 0.00 H new ATOM 0 HD2 LYS A 87 5.177 -15.990 10.814 1.00 0.00 H new ATOM 0 HD3 LYS A 87 5.549 -15.775 9.115 1.00 0.00 H new ATOM 0 HE2 LYS A 87 7.241 -13.916 10.061 1.00 0.00 H new ATOM 0 HE3 LYS A 87 7.113 -14.859 11.533 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 8.925 -15.633 10.149 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 7.738 -16.840 10.284 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 7.862 -15.926 8.858 1.00 0.00 H new ATOM 1432 N GLU A 88 5.622 -13.763 5.331 1.00 0.00 N ATOM 1433 CA GLU A 88 5.323 -13.785 3.910 1.00 0.00 C ATOM 1434 C GLU A 88 3.843 -14.102 3.684 1.00 0.00 C ATOM 1435 O GLU A 88 3.117 -13.305 3.092 1.00 0.00 O ATOM 1436 CB GLU A 88 6.217 -14.786 3.177 1.00 0.00 C ATOM 1437 CG GLU A 88 6.247 -16.131 3.906 1.00 0.00 C ATOM 1438 CD GLU A 88 7.603 -16.818 3.735 1.00 0.00 C ATOM 1439 OE1 GLU A 88 8.091 -16.832 2.584 1.00 0.00 O ATOM 1440 OE2 GLU A 88 8.122 -17.313 4.759 1.00 0.00 O ATOM 0 H GLU A 88 6.554 -14.097 5.576 1.00 0.00 H new ATOM 0 HA GLU A 88 5.529 -12.796 3.500 1.00 0.00 H new ATOM 0 HB2 GLU A 88 5.852 -14.928 2.160 1.00 0.00 H new ATOM 0 HB3 GLU A 88 7.229 -14.387 3.100 1.00 0.00 H new ATOM 0 HG2 GLU A 88 6.044 -15.979 4.966 1.00 0.00 H new ATOM 0 HG3 GLU A 88 5.458 -16.776 3.520 1.00 0.00 H new ATOM 1447 N LYS A 89 3.441 -15.269 4.167 1.00 0.00 N ATOM 1448 CA LYS A 89 2.061 -15.701 4.025 1.00 0.00 C ATOM 1449 C LYS A 89 1.130 -14.510 4.259 1.00 0.00 C ATOM 1450 O LYS A 89 0.373 -14.125 3.370 1.00 0.00 O ATOM 1451 CB LYS A 89 1.776 -16.893 4.941 1.00 0.00 C ATOM 1452 CG LYS A 89 2.888 -17.940 4.841 1.00 0.00 C ATOM 1453 CD LYS A 89 2.306 -19.340 4.638 1.00 0.00 C ATOM 1454 CE LYS A 89 1.739 -19.893 5.947 1.00 0.00 C ATOM 1455 NZ LYS A 89 2.179 -21.291 6.153 1.00 0.00 N ATOM 0 H LYS A 89 4.046 -15.928 4.657 1.00 0.00 H new ATOM 0 HA LYS A 89 1.876 -16.055 3.011 1.00 0.00 H new ATOM 0 HB2 LYS A 89 1.686 -16.551 5.972 1.00 0.00 H new ATOM 0 HB3 LYS A 89 0.821 -17.344 4.670 1.00 0.00 H new ATOM 0 HG2 LYS A 89 3.551 -17.694 4.011 1.00 0.00 H new ATOM 0 HG3 LYS A 89 3.492 -17.922 5.748 1.00 0.00 H new ATOM 0 HD2 LYS A 89 1.520 -19.305 3.883 1.00 0.00 H new ATOM 0 HD3 LYS A 89 3.080 -20.009 4.262 1.00 0.00 H new ATOM 0 HE2 LYS A 89 2.068 -19.275 6.782 1.00 0.00 H new ATOM 0 HE3 LYS A 89 0.650 -19.848 5.926 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 1.785 -21.651 7.046 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 1.844 -21.880 5.364 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 3.218 -21.326 6.194 1.00 0.00 H new ATOM 1469 N ASP A 90 1.218 -13.959 5.461 1.00 0.00 N ATOM 1470 CA ASP A 90 0.394 -12.819 5.824 1.00 0.00 C ATOM 1471 C ASP A 90 0.465 -11.769 4.713 1.00 0.00 C ATOM 1472 O ASP A 90 -0.540 -11.141 4.382 1.00 0.00 O ATOM 1473 CB ASP A 90 0.888 -12.171 7.118 1.00 0.00 C ATOM 1474 CG ASP A 90 0.037 -12.465 8.355 1.00 0.00 C ATOM 1475 OD1 ASP A 90 -0.753 -13.431 8.283 1.00 0.00 O ATOM 1476 OD2 ASP A 90 0.195 -11.717 9.344 1.00 0.00 O ATOM 0 H ASP A 90 1.848 -14.281 6.196 1.00 0.00 H new ATOM 0 HA ASP A 90 -0.627 -13.173 5.965 1.00 0.00 H new ATOM 0 HB2 ASP A 90 1.907 -12.507 7.309 1.00 0.00 H new ATOM 0 HB3 ASP A 90 0.930 -11.092 6.973 1.00 0.00 H new ATOM 1481 N ARG A 91 1.662 -11.612 4.167 1.00 0.00 N ATOM 1482 CA ARG A 91 1.877 -10.650 3.099 1.00 0.00 C ATOM 1483 C ARG A 91 1.206 -11.128 1.810 1.00 0.00 C ATOM 1484 O ARG A 91 0.633 -10.329 1.071 1.00 0.00 O ATOM 1485 CB ARG A 91 3.370 -10.439 2.841 1.00 0.00 C ATOM 1486 CG ARG A 91 4.156 -10.421 4.154 1.00 0.00 C ATOM 1487 CD ARG A 91 5.511 -9.733 3.972 1.00 0.00 C ATOM 1488 NE ARG A 91 6.195 -10.271 2.775 1.00 0.00 N ATOM 1489 CZ ARG A 91 7.522 -10.239 2.591 1.00 0.00 C ATOM 1490 NH1 ARG A 91 8.315 -9.695 3.524 1.00 0.00 N ATOM 1491 NH2 ARG A 91 8.056 -10.751 1.474 1.00 0.00 N ATOM 0 H ARG A 91 2.493 -12.135 4.444 1.00 0.00 H new ATOM 0 HA ARG A 91 1.436 -9.703 3.412 1.00 0.00 H new ATOM 0 HB2 ARG A 91 3.748 -11.234 2.198 1.00 0.00 H new ATOM 0 HB3 ARG A 91 3.522 -9.500 2.309 1.00 0.00 H new ATOM 0 HG2 ARG A 91 3.580 -9.901 4.920 1.00 0.00 H new ATOM 0 HG3 ARG A 91 4.307 -11.442 4.506 1.00 0.00 H new ATOM 0 HD2 ARG A 91 5.371 -8.657 3.868 1.00 0.00 H new ATOM 0 HD3 ARG A 91 6.129 -9.890 4.856 1.00 0.00 H new ATOM 0 HE ARG A 91 5.621 -10.692 2.045 1.00 0.00 H new ATOM 0 HH11 ARG A 91 7.909 -9.305 4.374 1.00 0.00 H new ATOM 0 HH12 ARG A 91 9.325 -9.671 3.384 1.00 0.00 H new ATOM 0 HH21 ARG A 91 7.452 -11.165 0.764 1.00 0.00 H new ATOM 0 HH22 ARG A 91 9.066 -10.727 1.334 1.00 0.00 H new ATOM 1505 N ASN A 92 1.300 -12.429 1.579 1.00 0.00 N ATOM 1506 CA ASN A 92 0.709 -13.023 0.392 1.00 0.00 C ATOM 1507 C ASN A 92 -0.815 -12.930 0.485 1.00 0.00 C ATOM 1508 O ASN A 92 -1.455 -12.302 -0.357 1.00 0.00 O ATOM 1509 CB ASN A 92 1.086 -14.501 0.270 1.00 0.00 C ATOM 1510 CG ASN A 92 2.600 -14.692 0.380 1.00 0.00 C ATOM 1511 OD1 ASN A 92 3.358 -13.755 0.572 1.00 0.00 O ATOM 1512 ND2 ASN A 92 2.998 -15.954 0.248 1.00 0.00 N ATOM 0 H ASN A 92 1.777 -13.089 2.194 1.00 0.00 H new ATOM 0 HA ASN A 92 1.083 -12.482 -0.477 1.00 0.00 H new ATOM 0 HB2 ASN A 92 0.586 -15.073 1.052 1.00 0.00 H new ATOM 0 HB3 ASN A 92 0.735 -14.892 -0.685 1.00 0.00 H new ATOM 0 HD21 ASN A 92 3.990 -16.185 0.306 1.00 0.00 H new ATOM 0 HD22 ASN A 92 2.311 -16.691 0.089 1.00 0.00 H new ATOM 1519 N ASP A 93 -1.353 -13.566 1.516 1.00 0.00 N ATOM 1520 CA ASP A 93 -2.790 -13.563 1.730 1.00 0.00 C ATOM 1521 C ASP A 93 -3.345 -12.172 1.413 1.00 0.00 C ATOM 1522 O ASP A 93 -4.321 -12.043 0.676 1.00 0.00 O ATOM 1523 CB ASP A 93 -3.131 -13.888 3.185 1.00 0.00 C ATOM 1524 CG ASP A 93 -2.255 -14.964 3.830 1.00 0.00 C ATOM 1525 OD1 ASP A 93 -1.568 -15.671 3.062 1.00 0.00 O ATOM 1526 OD2 ASP A 93 -2.291 -15.054 5.076 1.00 0.00 O ATOM 0 H ASP A 93 -0.819 -14.087 2.212 1.00 0.00 H new ATOM 0 HA ASP A 93 -3.230 -14.319 1.080 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -3.051 -12.974 3.774 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -4.171 -14.209 3.235 1.00 0.00 H new ATOM 1531 N LEU A 94 -2.700 -11.168 1.987 1.00 0.00 N ATOM 1532 CA LEU A 94 -3.117 -9.792 1.776 1.00 0.00 C ATOM 1533 C LEU A 94 -3.151 -9.499 0.274 1.00 0.00 C ATOM 1534 O LEU A 94 -4.218 -9.277 -0.294 1.00 0.00 O ATOM 1535 CB LEU A 94 -2.226 -8.834 2.569 1.00 0.00 C ATOM 1536 CG LEU A 94 -2.951 -7.746 3.364 1.00 0.00 C ATOM 1537 CD1 LEU A 94 -3.724 -6.810 2.432 1.00 0.00 C ATOM 1538 CD2 LEU A 94 -3.853 -8.360 4.436 1.00 0.00 C ATOM 0 H LEU A 94 -1.891 -11.279 2.598 1.00 0.00 H new ATOM 0 HA LEU A 94 -4.127 -9.638 2.155 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -1.622 -9.420 3.261 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -1.538 -8.351 1.875 1.00 0.00 H new ATOM 0 HG LEU A 94 -2.203 -7.143 3.879 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -4.230 -6.046 3.022 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -3.031 -6.333 1.739 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -4.462 -7.383 1.871 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -4.357 -7.565 4.987 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -4.597 -9.001 3.962 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -3.249 -8.952 5.124 1.00 0.00 H new ATOM 1550 N ILE A 95 -1.969 -9.507 -0.325 1.00 0.00 N ATOM 1551 CA ILE A 95 -1.850 -9.245 -1.749 1.00 0.00 C ATOM 1552 C ILE A 95 -2.858 -10.110 -2.508 1.00 0.00 C ATOM 1553 O ILE A 95 -3.701 -9.591 -3.238 1.00 0.00 O ATOM 1554 CB ILE A 95 -0.404 -9.437 -2.210 1.00 0.00 C ATOM 1555 CG1 ILE A 95 0.518 -8.396 -1.573 1.00 0.00 C ATOM 1556 CG2 ILE A 95 -0.310 -9.428 -3.737 1.00 0.00 C ATOM 1557 CD1 ILE A 95 1.954 -8.916 -1.484 1.00 0.00 C ATOM 0 H ILE A 95 -1.085 -9.691 0.150 1.00 0.00 H new ATOM 0 HA ILE A 95 -2.094 -8.205 -1.967 1.00 0.00 H new ATOM 0 HB ILE A 95 -0.065 -10.416 -1.872 1.00 0.00 H new ATOM 0 HG12 ILE A 95 0.496 -7.478 -2.160 1.00 0.00 H new ATOM 0 HG13 ILE A 95 0.156 -8.146 -0.576 1.00 0.00 H new ATOM 0 HG21 ILE A 95 0.728 -9.566 -4.038 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -0.917 -10.237 -4.144 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -0.675 -8.474 -4.118 1.00 0.00 H new ATOM 0 HD11 ILE A 95 2.588 -8.156 -1.027 1.00 0.00 H new ATOM 0 HD12 ILE A 95 1.976 -9.821 -0.876 1.00 0.00 H new ATOM 0 HD13 ILE A 95 2.322 -9.142 -2.485 1.00 0.00 H new ATOM 1569 N THR A 96 -2.737 -11.415 -2.310 1.00 0.00 N ATOM 1570 CA THR A 96 -3.627 -12.357 -2.967 1.00 0.00 C ATOM 1571 C THR A 96 -5.048 -11.792 -3.031 1.00 0.00 C ATOM 1572 O THR A 96 -5.642 -11.716 -4.106 1.00 0.00 O ATOM 1573 CB THR A 96 -3.536 -13.691 -2.224 1.00 0.00 C ATOM 1574 OG1 THR A 96 -2.945 -14.576 -3.171 1.00 0.00 O ATOM 1575 CG2 THR A 96 -4.911 -14.303 -1.949 1.00 0.00 C ATOM 0 H THR A 96 -2.036 -11.842 -1.704 1.00 0.00 H new ATOM 0 HA THR A 96 -3.331 -12.525 -4.002 1.00 0.00 H new ATOM 0 HB THR A 96 -3.008 -13.546 -1.281 1.00 0.00 H new ATOM 0 HG1 THR A 96 -2.847 -15.465 -2.771 1.00 0.00 H new ATOM 0 HG21 THR A 96 -4.789 -15.248 -1.420 1.00 0.00 H new ATOM 0 HG22 THR A 96 -5.498 -13.618 -1.338 1.00 0.00 H new ATOM 0 HG23 THR A 96 -5.426 -14.479 -2.893 1.00 0.00 H new ATOM 1583 N TYR A 97 -5.552 -11.411 -1.867 1.00 0.00 N ATOM 1584 CA TYR A 97 -6.892 -10.856 -1.777 1.00 0.00 C ATOM 1585 C TYR A 97 -6.937 -9.438 -2.350 1.00 0.00 C ATOM 1586 O TYR A 97 -7.854 -9.094 -3.094 1.00 0.00 O ATOM 1587 CB TYR A 97 -7.226 -10.801 -0.285 1.00 0.00 C ATOM 1588 CG TYR A 97 -8.454 -9.950 0.047 1.00 0.00 C ATOM 1589 CD1 TYR A 97 -9.718 -10.497 -0.045 1.00 0.00 C ATOM 1590 CD2 TYR A 97 -8.297 -8.636 0.437 1.00 0.00 C ATOM 1591 CE1 TYR A 97 -10.873 -9.696 0.268 1.00 0.00 C ATOM 1592 CE2 TYR A 97 -9.452 -7.835 0.749 1.00 0.00 C ATOM 1593 CZ TYR A 97 -10.683 -8.404 0.649 1.00 0.00 C ATOM 1594 OH TYR A 97 -11.774 -7.648 0.944 1.00 0.00 O ATOM 0 H TYR A 97 -5.057 -11.476 -0.978 1.00 0.00 H new ATOM 0 HA TYR A 97 -7.599 -11.464 -2.341 1.00 0.00 H new ATOM 0 HB2 TYR A 97 -7.391 -11.816 0.078 1.00 0.00 H new ATOM 0 HB3 TYR A 97 -6.366 -10.405 0.255 1.00 0.00 H new ATOM 0 HD1 TYR A 97 -9.841 -11.525 -0.352 1.00 0.00 H new ATOM 0 HD2 TYR A 97 -7.308 -8.208 0.508 1.00 0.00 H new ATOM 0 HE1 TYR A 97 -11.868 -10.112 0.202 1.00 0.00 H new ATOM 0 HE2 TYR A 97 -9.343 -6.805 1.056 1.00 0.00 H new ATOM 0 HH TYR A 97 -11.488 -6.747 1.202 1.00 0.00 H new ATOM 1604 N LEU A 98 -5.936 -8.652 -1.981 1.00 0.00 N ATOM 1605 CA LEU A 98 -5.850 -7.279 -2.449 1.00 0.00 C ATOM 1606 C LEU A 98 -6.024 -7.251 -3.969 1.00 0.00 C ATOM 1607 O LEU A 98 -6.747 -6.409 -4.499 1.00 0.00 O ATOM 1608 CB LEU A 98 -4.552 -6.629 -1.966 1.00 0.00 C ATOM 1609 CG LEU A 98 -4.703 -5.299 -1.225 1.00 0.00 C ATOM 1610 CD1 LEU A 98 -3.773 -5.239 -0.011 1.00 0.00 C ATOM 1611 CD2 LEU A 98 -4.489 -4.116 -2.171 1.00 0.00 C ATOM 0 H LEU A 98 -5.177 -8.940 -1.363 1.00 0.00 H new ATOM 0 HA LEU A 98 -6.656 -6.680 -2.025 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -4.040 -7.332 -1.309 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -3.906 -6.470 -2.829 1.00 0.00 H new ATOM 0 HG LEU A 98 -5.725 -5.230 -0.851 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -3.900 -4.283 0.498 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -4.017 -6.051 0.675 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -2.739 -5.340 -0.340 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -4.602 -3.183 -1.618 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -3.487 -4.167 -2.596 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -5.226 -4.154 -2.973 1.00 0.00 H new ATOM 1623 N LYS A 99 -5.349 -8.182 -4.627 1.00 0.00 N ATOM 1624 CA LYS A 99 -5.420 -8.274 -6.075 1.00 0.00 C ATOM 1625 C LYS A 99 -6.885 -8.364 -6.505 1.00 0.00 C ATOM 1626 O LYS A 99 -7.216 -8.084 -7.656 1.00 0.00 O ATOM 1627 CB LYS A 99 -4.559 -9.434 -6.581 1.00 0.00 C ATOM 1628 CG LYS A 99 -4.727 -9.625 -8.089 1.00 0.00 C ATOM 1629 CD LYS A 99 -3.427 -10.115 -8.729 1.00 0.00 C ATOM 1630 CE LYS A 99 -3.397 -9.796 -10.225 1.00 0.00 C ATOM 1631 NZ LYS A 99 -3.822 -10.974 -11.014 1.00 0.00 N ATOM 0 H LYS A 99 -4.750 -8.879 -4.184 1.00 0.00 H new ATOM 0 HA LYS A 99 -5.007 -7.376 -6.534 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -3.511 -9.242 -6.350 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -4.837 -10.351 -6.062 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -5.524 -10.343 -8.281 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -5.029 -8.683 -8.547 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -2.576 -9.645 -8.236 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -3.328 -11.190 -8.581 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -4.054 -8.953 -10.436 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -2.391 -9.497 -10.519 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -3.796 -10.741 -12.027 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -3.179 -11.769 -10.825 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -4.790 -11.241 -10.745 1.00 0.00 H new ATOM 1645 N LYS A 100 -7.724 -8.755 -5.557 1.00 0.00 N ATOM 1646 CA LYS A 100 -9.147 -8.884 -5.823 1.00 0.00 C ATOM 1647 C LYS A 100 -9.907 -7.811 -5.043 1.00 0.00 C ATOM 1648 O LYS A 100 -11.041 -7.476 -5.384 1.00 0.00 O ATOM 1649 CB LYS A 100 -9.619 -10.309 -5.529 1.00 0.00 C ATOM 1650 CG LYS A 100 -10.670 -10.760 -6.546 1.00 0.00 C ATOM 1651 CD LYS A 100 -10.030 -11.046 -7.905 1.00 0.00 C ATOM 1652 CE LYS A 100 -9.962 -12.551 -8.173 1.00 0.00 C ATOM 1653 NZ LYS A 100 -8.864 -12.860 -9.118 1.00 0.00 N ATOM 0 H LYS A 100 -7.446 -8.987 -4.603 1.00 0.00 H new ATOM 0 HA LYS A 100 -9.354 -8.716 -6.880 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -8.768 -10.990 -5.554 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -10.037 -10.357 -4.523 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -11.173 -11.655 -6.181 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -11.432 -9.988 -6.654 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -10.606 -10.558 -8.692 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -9.026 -10.622 -7.935 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -9.805 -13.086 -7.237 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -10.911 -12.897 -8.583 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -8.832 -13.885 -9.289 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -9.030 -12.364 -10.017 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -7.959 -12.548 -8.712 1.00 0.00 H new ATOM 1667 N ALA A 101 -9.253 -7.300 -4.010 1.00 0.00 N ATOM 1668 CA ALA A 101 -9.853 -6.271 -3.179 1.00 0.00 C ATOM 1669 C ALA A 101 -10.057 -5.003 -4.011 1.00 0.00 C ATOM 1670 O ALA A 101 -11.182 -4.527 -4.157 1.00 0.00 O ATOM 1671 CB ALA A 101 -8.972 -6.027 -1.952 1.00 0.00 C ATOM 0 H ALA A 101 -8.313 -7.580 -3.730 1.00 0.00 H new ATOM 0 HA ALA A 101 -10.831 -6.591 -2.820 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -9.422 -5.255 -1.328 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -8.883 -6.950 -1.379 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -7.982 -5.702 -2.273 1.00 0.00 H new ATOM 1677 N SER A 102 -8.953 -4.493 -4.535 1.00 0.00 N ATOM 1678 CA SER A 102 -8.996 -3.290 -5.348 1.00 0.00 C ATOM 1679 C SER A 102 -7.654 -3.085 -6.053 1.00 0.00 C ATOM 1680 O SER A 102 -7.085 -1.996 -6.007 1.00 0.00 O ATOM 1681 CB SER A 102 -9.344 -2.064 -4.501 1.00 0.00 C ATOM 1682 OG SER A 102 -10.267 -2.378 -3.462 1.00 0.00 O ATOM 0 H SER A 102 -8.022 -4.891 -4.412 1.00 0.00 H new ATOM 0 HA SER A 102 -9.777 -3.413 -6.098 1.00 0.00 H new ATOM 0 HB2 SER A 102 -8.433 -1.654 -4.065 1.00 0.00 H new ATOM 0 HB3 SER A 102 -9.768 -1.290 -5.141 1.00 0.00 H new ATOM 0 HG SER A 102 -10.343 -1.616 -2.850 1.00 0.00 H new ATOM 1688 N GLU A 103 -7.186 -4.151 -6.687 1.00 0.00 N ATOM 1689 CA GLU A 103 -5.921 -4.101 -7.400 1.00 0.00 C ATOM 1690 C GLU A 103 -5.738 -2.735 -8.064 1.00 0.00 C ATOM 1691 O GLU A 103 -5.172 -1.821 -7.467 1.00 0.00 O ATOM 1692 CB GLU A 103 -5.827 -5.229 -8.430 1.00 0.00 C ATOM 1693 CG GLU A 103 -7.078 -5.272 -9.310 1.00 0.00 C ATOM 1694 CD GLU A 103 -6.872 -6.198 -10.510 1.00 0.00 C ATOM 1695 OE1 GLU A 103 -5.748 -6.177 -11.056 1.00 0.00 O ATOM 1696 OE2 GLU A 103 -7.844 -6.905 -10.854 1.00 0.00 O ATOM 0 H GLU A 103 -7.660 -5.053 -6.721 1.00 0.00 H new ATOM 0 HA GLU A 103 -5.115 -4.243 -6.680 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -4.944 -5.085 -9.053 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -5.704 -6.184 -7.919 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -7.929 -5.616 -8.722 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -7.317 -4.267 -9.658 1.00 0.00 H new