USER MOD reduce.3.24.130724 H: found=0, std=0, add=662, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 660 hydrogens (21 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 77 ASN : amide:sc= -0.911 K(o=0.26,f=-4.4!) USER MOD Set 1.2: A 79 GLN : amide:sc= 1.17 K(o=0.26,f=-1.9) USER MOD Single : A 1 LEU N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 SER OG : rot 160:sc= -0.605 USER MOD Single : A 4 THR OG1 : rot 180:sc= -0.204 USER MOD Single : A 9 LYS NZ :NH3+ 154:sc= -0.0423 (180deg=-0.368) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 GLN : amide:sc= -1.45 K(o=-1.5,f=-0.35) USER MOD Single : A 17 SER OG : rot 180:sc= -0.175 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 GLN : amide:sc= -2.84! C(o=-2.8!,f=-2.4!) USER MOD Single : A 25 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 26 ASN : amide:sc= -0.73 X(o=-0.73,f=-0.4) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 28 ASN : amide:sc= -3.31 K(o=-3.3,f=-12!) USER MOD Single : A 30 THR OG1 : rot -43:sc= 0.0252 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 ASN : amide:sc= -0.496 X(o=-0.5,f=-0.79!) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot 41:sc= -0.583 USER MOD Single : A 58 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 ASN : amide:sc= -7.72! C(o=-7.7!,f=-5.7!) USER MOD Single : A 65 THR OG1 : rot 170:sc= -0.285 USER MOD Single : A 67 GLN : amide:sc= -0.615 X(o=-0.62,f=-0.59) USER MOD Single : A 72 TYR OH : rot 165:sc= 0 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 ASN : amide:sc= 0 X(o=0,f=-0.21) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 137 PNS O33 : rot -101:sc= -0.0156 USER MOD Single : A 137 PNS S44 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 1.328 0.000 0.000 1.00 0.00 N ATOM 2 CA LEU A 1 2.094 0.000 -1.242 1.00 0.00 C ATOM 3 C LEU A 1 2.681 -1.380 -1.519 1.00 0.00 C ATOM 4 O LEU A 1 3.602 -1.824 -0.833 1.00 0.00 O ATOM 5 CB LEU A 1 3.214 1.039 -1.174 1.00 0.00 C ATOM 6 CG LEU A 1 2.955 2.353 -1.913 1.00 0.00 C ATOM 7 CD1 LEU A 1 2.931 2.124 -3.417 1.00 0.00 C ATOM 8 CD2 LEU A 1 1.650 2.980 -1.446 1.00 0.00 C ATOM 0 H1 LEU A 1 0.938 0.950 0.168 1.00 0.00 H new ATOM 0 H2 LEU A 1 0.550 -0.686 -0.072 1.00 0.00 H new ATOM 0 H3 LEU A 1 1.949 -0.264 0.791 1.00 0.00 H new ATOM 0 HA LEU A 1 1.418 0.257 -2.057 1.00 0.00 H new ATOM 0 HB2 LEU A 1 3.408 1.267 -0.126 1.00 0.00 H new ATOM 0 HB3 LEU A 1 4.123 0.592 -1.577 1.00 0.00 H new ATOM 0 HG LEU A 1 3.768 3.042 -1.684 1.00 0.00 H new ATOM 0 HD11 LEU A 1 2.746 3.070 -3.926 1.00 0.00 H new ATOM 0 HD12 LEU A 1 3.891 1.721 -3.739 1.00 0.00 H new ATOM 0 HD13 LEU A 1 2.139 1.417 -3.665 1.00 0.00 H new ATOM 0 HD21 LEU A 1 1.482 3.914 -1.983 1.00 0.00 H new ATOM 0 HD22 LEU A 1 0.826 2.295 -1.644 1.00 0.00 H new ATOM 0 HD23 LEU A 1 1.705 3.181 -0.376 1.00 0.00 H new ATOM 20 N LYS A 2 2.144 -2.054 -2.531 1.00 0.00 N ATOM 21 CA LYS A 2 2.617 -3.382 -2.903 1.00 0.00 C ATOM 22 C LYS A 2 3.534 -3.313 -4.120 1.00 0.00 C ATOM 23 O LYS A 2 3.255 -3.917 -5.155 1.00 0.00 O ATOM 24 CB LYS A 2 1.431 -4.304 -3.197 1.00 0.00 C ATOM 25 CG LYS A 2 1.716 -5.769 -2.917 1.00 0.00 C ATOM 26 CD LYS A 2 1.692 -6.595 -4.193 1.00 0.00 C ATOM 27 CE LYS A 2 2.006 -8.058 -3.915 1.00 0.00 C ATOM 28 NZ LYS A 2 3.005 -8.603 -4.876 1.00 0.00 N ATOM 0 H LYS A 2 1.380 -1.702 -3.108 1.00 0.00 H new ATOM 0 HA LYS A 2 3.185 -3.786 -2.065 1.00 0.00 H new ATOM 0 HB2 LYS A 2 0.578 -3.987 -2.597 1.00 0.00 H new ATOM 0 HB3 LYS A 2 1.145 -4.192 -4.243 1.00 0.00 H new ATOM 0 HG2 LYS A 2 2.690 -5.866 -2.438 1.00 0.00 H new ATOM 0 HG3 LYS A 2 0.976 -6.157 -2.217 1.00 0.00 H new ATOM 0 HD2 LYS A 2 0.711 -6.515 -4.661 1.00 0.00 H new ATOM 0 HD3 LYS A 2 2.417 -6.194 -4.901 1.00 0.00 H new ATOM 0 HE2 LYS A 2 2.386 -8.161 -2.899 1.00 0.00 H new ATOM 0 HE3 LYS A 2 1.089 -8.644 -3.973 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 3.192 -9.602 -4.653 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 2.632 -8.528 -5.844 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 3.889 -8.060 -4.803 1.00 0.00 H new ATOM 42 N SER A 3 4.630 -2.573 -3.987 1.00 0.00 N ATOM 43 CA SER A 3 5.588 -2.423 -5.077 1.00 0.00 C ATOM 44 C SER A 3 4.933 -1.766 -6.288 1.00 0.00 C ATOM 45 O SER A 3 3.776 -1.348 -6.234 1.00 0.00 O ATOM 46 CB SER A 3 6.163 -3.785 -5.469 1.00 0.00 C ATOM 47 OG SER A 3 7.550 -3.854 -5.185 1.00 0.00 O ATOM 0 H SER A 3 4.877 -2.068 -3.136 1.00 0.00 H new ATOM 0 HA SER A 3 6.398 -1.781 -4.731 1.00 0.00 H new ATOM 0 HB2 SER A 3 5.638 -4.574 -4.929 1.00 0.00 H new ATOM 0 HB3 SER A 3 5.997 -3.961 -6.532 1.00 0.00 H new ATOM 0 HG SER A 3 7.827 -4.793 -5.134 1.00 0.00 H new ATOM 53 N THR A 4 5.683 -1.678 -7.383 1.00 0.00 N ATOM 54 CA THR A 4 5.178 -1.072 -8.608 1.00 0.00 C ATOM 55 C THR A 4 3.909 -1.770 -9.085 1.00 0.00 C ATOM 56 O THR A 4 3.112 -1.193 -9.826 1.00 0.00 O ATOM 57 CB THR A 4 6.229 -1.120 -9.733 1.00 0.00 C ATOM 58 OG1 THR A 4 5.765 -0.382 -10.869 1.00 0.00 O ATOM 59 CG2 THR A 4 6.522 -2.556 -10.140 1.00 0.00 C ATOM 0 H THR A 4 6.642 -2.019 -7.446 1.00 0.00 H new ATOM 0 HA THR A 4 4.952 -0.031 -8.375 1.00 0.00 H new ATOM 0 HB THR A 4 7.149 -0.671 -9.359 1.00 0.00 H new ATOM 0 HG1 THR A 4 6.440 -0.416 -11.579 1.00 0.00 H new ATOM 0 HG21 THR A 4 7.267 -2.564 -10.936 1.00 0.00 H new ATOM 0 HG22 THR A 4 6.903 -3.107 -9.280 1.00 0.00 H new ATOM 0 HG23 THR A 4 5.606 -3.027 -10.496 1.00 0.00 H new ATOM 67 N PHE A 5 3.726 -3.014 -8.654 1.00 0.00 N ATOM 68 CA PHE A 5 2.553 -3.790 -9.037 1.00 0.00 C ATOM 69 C PHE A 5 1.271 -3.007 -8.770 1.00 0.00 C ATOM 70 O PHE A 5 0.290 -3.131 -9.504 1.00 0.00 O ATOM 71 CB PHE A 5 2.522 -5.116 -8.274 1.00 0.00 C ATOM 72 CG PHE A 5 1.409 -6.029 -8.704 1.00 0.00 C ATOM 73 CD1 PHE A 5 1.048 -6.123 -10.039 1.00 0.00 C ATOM 74 CD2 PHE A 5 0.724 -6.794 -7.774 1.00 0.00 C ATOM 75 CE1 PHE A 5 0.024 -6.961 -10.436 1.00 0.00 C ATOM 76 CE2 PHE A 5 -0.301 -7.634 -8.166 1.00 0.00 C ATOM 77 CZ PHE A 5 -0.651 -7.719 -9.499 1.00 0.00 C ATOM 0 H PHE A 5 4.375 -3.506 -8.040 1.00 0.00 H new ATOM 0 HA PHE A 5 2.617 -3.994 -10.106 1.00 0.00 H new ATOM 0 HB2 PHE A 5 3.475 -5.628 -8.412 1.00 0.00 H new ATOM 0 HB3 PHE A 5 2.422 -4.911 -7.208 1.00 0.00 H new ATOM 0 HD1 PHE A 5 1.573 -5.535 -10.777 1.00 0.00 H new ATOM 0 HD2 PHE A 5 0.994 -6.733 -6.730 1.00 0.00 H new ATOM 0 HE1 PHE A 5 -0.249 -7.024 -11.479 1.00 0.00 H new ATOM 0 HE2 PHE A 5 -0.828 -8.224 -7.430 1.00 0.00 H new ATOM 0 HZ PHE A 5 -1.450 -8.376 -9.808 1.00 0.00 H new ATOM 87 N ASP A 6 1.287 -2.200 -7.714 1.00 0.00 N ATOM 88 CA ASP A 6 0.127 -1.396 -7.349 1.00 0.00 C ATOM 89 C ASP A 6 -0.273 -0.469 -8.493 1.00 0.00 C ATOM 90 O ASP A 6 -1.266 -0.708 -9.181 1.00 0.00 O ATOM 91 CB ASP A 6 0.423 -0.577 -6.092 1.00 0.00 C ATOM 92 CG ASP A 6 -0.351 -1.069 -4.885 1.00 0.00 C ATOM 93 OD1 ASP A 6 -0.370 -2.297 -4.653 1.00 0.00 O ATOM 94 OD2 ASP A 6 -0.935 -0.228 -4.171 1.00 0.00 O ATOM 0 H ASP A 6 2.091 -2.086 -7.096 1.00 0.00 H new ATOM 0 HA ASP A 6 -0.704 -2.072 -7.146 1.00 0.00 H new ATOM 0 HB2 ASP A 6 1.491 -0.620 -5.877 1.00 0.00 H new ATOM 0 HB3 ASP A 6 0.176 0.469 -6.277 1.00 0.00 H new ATOM 99 N ASP A 7 0.505 0.590 -8.689 1.00 0.00 N ATOM 100 CA ASP A 7 0.232 1.554 -9.749 1.00 0.00 C ATOM 101 C ASP A 7 0.032 0.848 -11.087 1.00 0.00 C ATOM 102 O ASP A 7 -0.692 1.336 -11.955 1.00 0.00 O ATOM 103 CB ASP A 7 1.376 2.563 -9.857 1.00 0.00 C ATOM 104 CG ASP A 7 1.600 3.323 -8.565 1.00 0.00 C ATOM 105 OD1 ASP A 7 2.314 2.799 -7.684 1.00 0.00 O ATOM 106 OD2 ASP A 7 1.064 4.443 -8.435 1.00 0.00 O ATOM 0 H ASP A 7 1.330 0.803 -8.128 1.00 0.00 H new ATOM 0 HA ASP A 7 -0.687 2.084 -9.497 1.00 0.00 H new ATOM 0 HB2 ASP A 7 2.293 2.041 -10.132 1.00 0.00 H new ATOM 0 HB3 ASP A 7 1.159 3.270 -10.658 1.00 0.00 H new ATOM 111 N ILE A 8 0.679 -0.302 -11.246 1.00 0.00 N ATOM 112 CA ILE A 8 0.572 -1.074 -12.478 1.00 0.00 C ATOM 113 C ILE A 8 -0.803 -1.720 -12.604 1.00 0.00 C ATOM 114 O ILE A 8 -1.368 -1.795 -13.695 1.00 0.00 O ATOM 115 CB ILE A 8 1.650 -2.171 -12.549 1.00 0.00 C ATOM 116 CG1 ILE A 8 3.015 -1.556 -12.868 1.00 0.00 C ATOM 117 CG2 ILE A 8 1.277 -3.214 -13.592 1.00 0.00 C ATOM 118 CD1 ILE A 8 4.161 -2.537 -12.753 1.00 0.00 C ATOM 0 H ILE A 8 1.282 -0.719 -10.537 1.00 0.00 H new ATOM 0 HA ILE A 8 0.720 -0.376 -13.302 1.00 0.00 H new ATOM 0 HB ILE A 8 1.711 -2.662 -11.578 1.00 0.00 H new ATOM 0 HG12 ILE A 8 2.994 -1.151 -13.880 1.00 0.00 H new ATOM 0 HG13 ILE A 8 3.194 -0.719 -12.193 1.00 0.00 H new ATOM 0 HG21 ILE A 8 2.049 -3.983 -13.630 1.00 0.00 H new ATOM 0 HG22 ILE A 8 0.324 -3.670 -13.326 1.00 0.00 H new ATOM 0 HG23 ILE A 8 1.191 -2.737 -14.569 1.00 0.00 H new ATOM 0 HD11 ILE A 8 5.097 -2.033 -12.993 1.00 0.00 H new ATOM 0 HD12 ILE A 8 4.208 -2.924 -11.735 1.00 0.00 H new ATOM 0 HD13 ILE A 8 4.005 -3.362 -13.448 1.00 0.00 H new ATOM 130 N LYS A 9 -1.339 -2.183 -11.480 1.00 0.00 N ATOM 131 CA LYS A 9 -2.651 -2.820 -11.462 1.00 0.00 C ATOM 132 C LYS A 9 -3.752 -1.805 -11.753 1.00 0.00 C ATOM 133 O LYS A 9 -4.830 -2.163 -12.229 1.00 0.00 O ATOM 134 CB LYS A 9 -2.899 -3.485 -10.106 1.00 0.00 C ATOM 135 CG LYS A 9 -3.652 -2.602 -9.125 1.00 0.00 C ATOM 136 CD LYS A 9 -3.350 -2.985 -7.686 1.00 0.00 C ATOM 137 CE LYS A 9 -4.625 -3.167 -6.878 1.00 0.00 C ATOM 138 NZ LYS A 9 -5.464 -4.278 -7.409 1.00 0.00 N ATOM 0 H LYS A 9 -0.885 -2.129 -10.568 1.00 0.00 H new ATOM 0 HA LYS A 9 -2.669 -3.582 -12.241 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -3.462 -4.406 -10.260 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -1.941 -3.766 -9.668 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -3.380 -1.559 -9.290 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -4.723 -2.685 -9.308 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -2.772 -3.909 -7.668 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -2.733 -2.214 -7.225 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -4.370 -3.370 -5.838 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -5.199 -2.240 -6.891 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -6.053 -4.664 -6.644 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -6.076 -3.918 -8.169 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -4.849 -5.028 -7.785 1.00 0.00 H new ATOM 152 N LYS A 10 -3.474 -0.538 -11.464 1.00 0.00 N ATOM 153 CA LYS A 10 -4.439 0.529 -11.697 1.00 0.00 C ATOM 154 C LYS A 10 -4.492 0.903 -13.175 1.00 0.00 C ATOM 155 O LYS A 10 -5.566 0.946 -13.776 1.00 0.00 O ATOM 156 CB LYS A 10 -4.081 1.760 -10.861 1.00 0.00 C ATOM 157 CG LYS A 10 -3.547 1.423 -9.480 1.00 0.00 C ATOM 158 CD LYS A 10 -3.705 2.591 -8.520 1.00 0.00 C ATOM 159 CE LYS A 10 -4.941 2.432 -7.648 1.00 0.00 C ATOM 160 NZ LYS A 10 -5.420 3.740 -7.122 1.00 0.00 N ATOM 0 H LYS A 10 -2.588 -0.225 -11.068 1.00 0.00 H new ATOM 0 HA LYS A 10 -5.422 0.167 -11.397 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -3.335 2.348 -11.396 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -4.966 2.387 -10.756 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -4.075 0.554 -9.087 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -2.494 1.151 -9.553 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -2.820 2.666 -7.888 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -3.774 3.521 -9.085 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -5.735 1.960 -8.226 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -4.715 1.766 -6.815 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -6.264 3.589 -6.533 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -4.671 4.179 -6.549 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -5.660 4.367 -7.916 1.00 0.00 H new ATOM 174 N ILE A 11 -3.327 1.171 -13.754 1.00 0.00 N ATOM 175 CA ILE A 11 -3.241 1.538 -15.162 1.00 0.00 C ATOM 176 C ILE A 11 -3.821 0.444 -16.052 1.00 0.00 C ATOM 177 O ILE A 11 -4.543 0.726 -17.009 1.00 0.00 O ATOM 178 CB ILE A 11 -1.785 1.810 -15.586 1.00 0.00 C ATOM 179 CG1 ILE A 11 -0.896 0.618 -15.227 1.00 0.00 C ATOM 180 CG2 ILE A 11 -1.270 3.080 -14.925 1.00 0.00 C ATOM 181 CD1 ILE A 11 0.575 0.863 -15.484 1.00 0.00 C ATOM 0 H ILE A 11 -2.430 1.141 -13.270 1.00 0.00 H new ATOM 0 HA ILE A 11 -3.823 2.451 -15.285 1.00 0.00 H new ATOM 0 HB ILE A 11 -1.756 1.949 -16.667 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -1.037 0.374 -14.174 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -1.217 -0.251 -15.801 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -0.240 3.259 -15.234 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -1.891 3.924 -15.225 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -1.309 2.968 -13.841 1.00 0.00 H new ATOM 0 HD11 ILE A 11 1.145 -0.024 -15.207 1.00 0.00 H new ATOM 0 HD12 ILE A 11 0.729 1.078 -16.542 1.00 0.00 H new ATOM 0 HD13 ILE A 11 0.912 1.712 -14.889 1.00 0.00 H new ATOM 193 N ILE A 12 -3.502 -0.805 -15.729 1.00 0.00 N ATOM 194 CA ILE A 12 -3.994 -1.942 -16.498 1.00 0.00 C ATOM 195 C ILE A 12 -5.475 -2.186 -16.230 1.00 0.00 C ATOM 196 O ILE A 12 -6.202 -2.668 -17.099 1.00 0.00 O ATOM 197 CB ILE A 12 -3.206 -3.225 -16.172 1.00 0.00 C ATOM 198 CG1 ILE A 12 -3.395 -3.606 -14.703 1.00 0.00 C ATOM 199 CG2 ILE A 12 -1.730 -3.035 -16.490 1.00 0.00 C ATOM 200 CD1 ILE A 12 -4.344 -4.766 -14.497 1.00 0.00 C ATOM 0 H ILE A 12 -2.905 -1.055 -14.940 1.00 0.00 H new ATOM 0 HA ILE A 12 -3.853 -1.697 -17.551 1.00 0.00 H new ATOM 0 HB ILE A 12 -3.589 -4.037 -16.790 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -2.426 -3.860 -14.274 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -3.769 -2.740 -14.157 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -1.186 -3.950 -16.254 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -1.613 -2.806 -17.549 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -1.332 -2.213 -15.895 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -4.430 -4.981 -13.432 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -5.325 -4.508 -14.896 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -3.961 -5.645 -15.015 1.00 0.00 H new ATOM 212 N SER A 13 -5.916 -1.849 -15.022 1.00 0.00 N ATOM 213 CA SER A 13 -7.311 -2.034 -14.639 1.00 0.00 C ATOM 214 C SER A 13 -8.228 -1.156 -15.486 1.00 0.00 C ATOM 215 O SER A 13 -9.354 -1.539 -15.804 1.00 0.00 O ATOM 216 CB SER A 13 -7.502 -1.709 -13.156 1.00 0.00 C ATOM 217 OG SER A 13 -8.859 -1.424 -12.867 1.00 0.00 O ATOM 0 H SER A 13 -5.328 -1.447 -14.292 1.00 0.00 H new ATOM 0 HA SER A 13 -7.574 -3.077 -14.812 1.00 0.00 H new ATOM 0 HB2 SER A 13 -7.167 -2.551 -12.550 1.00 0.00 H new ATOM 0 HB3 SER A 13 -6.882 -0.854 -12.885 1.00 0.00 H new ATOM 0 HG SER A 13 -8.955 -1.221 -11.913 1.00 0.00 H new ATOM 223 N LYS A 14 -7.737 0.024 -15.848 1.00 0.00 N ATOM 224 CA LYS A 14 -8.509 0.958 -16.659 1.00 0.00 C ATOM 225 C LYS A 14 -8.121 0.852 -18.130 1.00 0.00 C ATOM 226 O LYS A 14 -8.912 1.178 -19.014 1.00 0.00 O ATOM 227 CB LYS A 14 -8.296 2.391 -16.166 1.00 0.00 C ATOM 228 CG LYS A 14 -8.902 3.444 -17.076 1.00 0.00 C ATOM 229 CD LYS A 14 -7.864 4.032 -18.018 1.00 0.00 C ATOM 230 CE LYS A 14 -6.992 5.060 -17.315 1.00 0.00 C ATOM 231 NZ LYS A 14 -6.483 6.094 -18.259 1.00 0.00 N ATOM 0 H LYS A 14 -6.807 0.357 -15.592 1.00 0.00 H new ATOM 0 HA LYS A 14 -9.563 0.699 -16.561 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -8.728 2.492 -15.170 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -7.226 2.578 -16.070 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -9.712 3.002 -17.656 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -9.339 4.240 -16.473 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -7.238 3.233 -18.415 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -8.364 4.497 -18.867 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -7.565 5.542 -16.523 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -6.150 4.557 -16.838 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -5.893 6.776 -17.741 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -5.915 5.637 -19.001 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -7.286 6.591 -18.695 1.00 0.00 H new ATOM 245 N GLN A 15 -6.899 0.394 -18.383 1.00 0.00 N ATOM 246 CA GLN A 15 -6.407 0.244 -19.747 1.00 0.00 C ATOM 247 C GLN A 15 -7.102 -0.916 -20.452 1.00 0.00 C ATOM 248 O GLN A 15 -7.740 -0.733 -21.490 1.00 0.00 O ATOM 249 CB GLN A 15 -4.893 0.022 -19.745 1.00 0.00 C ATOM 250 CG GLN A 15 -4.303 -0.160 -21.134 1.00 0.00 C ATOM 251 CD GLN A 15 -4.812 0.869 -22.124 1.00 0.00 C ATOM 252 OE1 GLN A 15 -5.163 0.537 -23.256 1.00 0.00 O ATOM 253 NE2 GLN A 15 -4.853 2.127 -21.701 1.00 0.00 N ATOM 0 H GLN A 15 -6.232 0.121 -17.661 1.00 0.00 H new ATOM 0 HA GLN A 15 -6.631 1.162 -20.290 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -4.410 0.872 -19.263 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -4.664 -0.858 -19.144 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -3.217 -0.095 -21.074 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -4.543 -1.159 -21.498 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -4.552 2.357 -20.754 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -5.186 2.864 -22.323 1.00 0.00 H new ATOM 262 N LEU A 16 -6.973 -2.110 -19.883 1.00 0.00 N ATOM 263 CA LEU A 16 -7.589 -3.301 -20.458 1.00 0.00 C ATOM 264 C LEU A 16 -8.752 -3.782 -19.596 1.00 0.00 C ATOM 265 O LEU A 16 -9.917 -3.612 -19.957 1.00 0.00 O ATOM 266 CB LEU A 16 -6.551 -4.416 -20.602 1.00 0.00 C ATOM 267 CG LEU A 16 -5.344 -4.099 -21.486 1.00 0.00 C ATOM 268 CD1 LEU A 16 -4.193 -3.568 -20.646 1.00 0.00 C ATOM 269 CD2 LEU A 16 -4.914 -5.334 -22.264 1.00 0.00 C ATOM 0 H LEU A 16 -6.448 -2.279 -19.025 1.00 0.00 H new ATOM 0 HA LEU A 16 -7.974 -3.042 -21.444 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -6.189 -4.679 -19.608 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -7.049 -5.299 -21.004 1.00 0.00 H new ATOM 0 HG LEU A 16 -5.632 -3.327 -22.200 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -3.343 -3.348 -21.292 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -4.506 -2.658 -20.134 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -3.904 -4.317 -19.909 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -4.054 -5.090 -22.888 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -4.643 -6.127 -21.567 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -5.736 -5.671 -22.895 1.00 0.00 H new ATOM 281 N SER A 17 -8.428 -4.382 -18.455 1.00 0.00 N ATOM 282 CA SER A 17 -9.446 -4.889 -17.542 1.00 0.00 C ATOM 283 C SER A 17 -8.806 -5.515 -16.307 1.00 0.00 C ATOM 284 O SER A 17 -8.799 -4.922 -15.229 1.00 0.00 O ATOM 285 CB SER A 17 -10.329 -5.919 -18.250 1.00 0.00 C ATOM 286 OG SER A 17 -9.637 -6.531 -19.325 1.00 0.00 O ATOM 0 H SER A 17 -7.469 -4.529 -18.141 1.00 0.00 H new ATOM 0 HA SER A 17 -10.063 -4.049 -17.223 1.00 0.00 H new ATOM 0 HB2 SER A 17 -10.647 -6.680 -17.538 1.00 0.00 H new ATOM 0 HB3 SER A 17 -11.231 -5.434 -18.623 1.00 0.00 H new ATOM 0 HG SER A 17 -10.222 -7.186 -19.760 1.00 0.00 H new ATOM 292 N VAL A 18 -8.267 -6.719 -16.474 1.00 0.00 N ATOM 293 CA VAL A 18 -7.622 -7.426 -15.374 1.00 0.00 C ATOM 294 C VAL A 18 -6.732 -8.551 -15.891 1.00 0.00 C ATOM 295 O VAL A 18 -7.212 -9.637 -16.213 1.00 0.00 O ATOM 296 CB VAL A 18 -8.660 -8.015 -14.400 1.00 0.00 C ATOM 297 CG1 VAL A 18 -9.022 -6.999 -13.327 1.00 0.00 C ATOM 298 CG2 VAL A 18 -9.900 -8.470 -15.155 1.00 0.00 C ATOM 0 H VAL A 18 -8.264 -7.225 -17.360 1.00 0.00 H new ATOM 0 HA VAL A 18 -7.010 -6.696 -14.844 1.00 0.00 H new ATOM 0 HB VAL A 18 -8.221 -8.884 -13.910 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -9.756 -7.433 -12.648 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -8.127 -6.726 -12.767 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -9.442 -6.109 -13.796 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -10.623 -8.883 -14.452 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -10.343 -7.619 -15.673 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -9.624 -9.234 -15.882 1.00 0.00 H new ATOM 308 N GLU A 19 -5.432 -8.282 -15.967 1.00 0.00 N ATOM 309 CA GLU A 19 -4.475 -9.272 -16.446 1.00 0.00 C ATOM 310 C GLU A 19 -3.356 -9.482 -15.429 1.00 0.00 C ATOM 311 O GLU A 19 -2.203 -9.702 -15.797 1.00 0.00 O ATOM 312 CB GLU A 19 -3.883 -8.835 -17.787 1.00 0.00 C ATOM 313 CG GLU A 19 -3.255 -7.452 -17.755 1.00 0.00 C ATOM 314 CD GLU A 19 -3.946 -6.475 -18.686 1.00 0.00 C ATOM 315 OE1 GLU A 19 -3.827 -6.642 -19.917 1.00 0.00 O ATOM 316 OE2 GLU A 19 -4.607 -5.542 -18.182 1.00 0.00 O ATOM 0 H GLU A 19 -5.018 -7.388 -15.703 1.00 0.00 H new ATOM 0 HA GLU A 19 -5.004 -10.216 -16.581 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -3.129 -9.560 -18.095 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -4.668 -8.851 -18.543 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -3.291 -7.065 -16.737 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -2.203 -7.528 -18.030 1.00 0.00 H new ATOM 323 N GLU A 20 -3.707 -9.413 -14.149 1.00 0.00 N ATOM 324 CA GLU A 20 -2.733 -9.595 -13.079 1.00 0.00 C ATOM 325 C GLU A 20 -2.251 -11.042 -13.022 1.00 0.00 C ATOM 326 O GLU A 20 -1.178 -11.330 -12.492 1.00 0.00 O ATOM 327 CB GLU A 20 -3.340 -9.194 -11.733 1.00 0.00 C ATOM 328 CG GLU A 20 -4.684 -9.845 -11.453 1.00 0.00 C ATOM 329 CD GLU A 20 -4.803 -10.350 -10.028 1.00 0.00 C ATOM 330 OE1 GLU A 20 -3.915 -11.112 -9.592 1.00 0.00 O ATOM 331 OE2 GLU A 20 -5.784 -9.981 -9.349 1.00 0.00 O ATOM 0 H GLU A 20 -4.658 -9.232 -13.828 1.00 0.00 H new ATOM 0 HA GLU A 20 -1.877 -8.954 -13.289 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -2.644 -9.459 -10.937 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -3.458 -8.111 -11.705 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -5.479 -9.125 -11.647 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -4.831 -10.676 -12.142 1.00 0.00 H new ATOM 338 N ASP A 21 -3.053 -11.948 -13.571 1.00 0.00 N ATOM 339 CA ASP A 21 -2.709 -13.365 -13.584 1.00 0.00 C ATOM 340 C ASP A 21 -2.072 -13.758 -14.914 1.00 0.00 C ATOM 341 O ASP A 21 -2.394 -14.800 -15.485 1.00 0.00 O ATOM 342 CB ASP A 21 -3.955 -14.216 -13.330 1.00 0.00 C ATOM 343 CG ASP A 21 -4.307 -14.302 -11.858 1.00 0.00 C ATOM 344 OD1 ASP A 21 -3.674 -15.106 -11.142 1.00 0.00 O ATOM 345 OD2 ASP A 21 -5.214 -13.564 -11.422 1.00 0.00 O ATOM 0 H ASP A 21 -3.945 -11.726 -14.013 1.00 0.00 H new ATOM 0 HA ASP A 21 -1.986 -13.546 -12.788 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -4.797 -13.794 -13.878 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -3.791 -15.220 -13.721 1.00 0.00 H new ATOM 350 N LYS A 22 -1.168 -12.916 -15.402 1.00 0.00 N ATOM 351 CA LYS A 22 -0.485 -13.173 -16.664 1.00 0.00 C ATOM 352 C LYS A 22 0.495 -12.051 -16.992 1.00 0.00 C ATOM 353 O LYS A 22 1.543 -12.286 -17.593 1.00 0.00 O ATOM 354 CB LYS A 22 -1.502 -13.323 -17.797 1.00 0.00 C ATOM 355 CG LYS A 22 -2.740 -12.459 -17.622 1.00 0.00 C ATOM 356 CD LYS A 22 -3.274 -11.973 -18.958 1.00 0.00 C ATOM 357 CE LYS A 22 -3.812 -13.123 -19.796 1.00 0.00 C ATOM 358 NZ LYS A 22 -4.932 -12.691 -20.677 1.00 0.00 N ATOM 0 H LYS A 22 -0.891 -12.049 -14.942 1.00 0.00 H new ATOM 0 HA LYS A 22 0.075 -14.102 -16.561 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -1.021 -13.068 -18.741 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -1.805 -14.368 -17.866 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -3.513 -13.029 -17.106 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -2.501 -11.603 -16.991 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -4.065 -11.242 -18.790 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -2.480 -11.464 -19.505 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -3.008 -13.535 -20.406 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -4.155 -13.922 -19.139 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -5.271 -13.503 -21.231 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -5.710 -12.321 -20.094 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -4.599 -11.946 -21.322 1.00 0.00 H new ATOM 372 N ILE A 23 0.147 -10.833 -16.591 1.00 0.00 N ATOM 373 CA ILE A 23 0.998 -9.676 -16.840 1.00 0.00 C ATOM 374 C ILE A 23 2.224 -9.689 -15.934 1.00 0.00 C ATOM 375 O ILE A 23 3.207 -8.996 -16.193 1.00 0.00 O ATOM 376 CB ILE A 23 0.231 -8.357 -16.628 1.00 0.00 C ATOM 377 CG1 ILE A 23 0.956 -7.202 -17.322 1.00 0.00 C ATOM 378 CG2 ILE A 23 0.070 -8.072 -15.142 1.00 0.00 C ATOM 379 CD1 ILE A 23 0.283 -5.862 -17.127 1.00 0.00 C ATOM 0 H ILE A 23 -0.718 -10.622 -16.093 1.00 0.00 H new ATOM 0 HA ILE A 23 1.318 -9.738 -17.880 1.00 0.00 H new ATOM 0 HB ILE A 23 -0.761 -8.455 -17.069 1.00 0.00 H new ATOM 0 HG12 ILE A 23 1.977 -7.145 -16.944 1.00 0.00 H new ATOM 0 HG13 ILE A 23 1.022 -7.414 -18.389 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -0.474 -7.137 -15.008 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -0.485 -8.885 -14.674 1.00 0.00 H new ATOM 0 HG23 ILE A 23 1.053 -7.990 -14.679 1.00 0.00 H new ATOM 0 HD11 ILE A 23 0.851 -5.090 -17.646 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -0.729 -5.901 -17.531 1.00 0.00 H new ATOM 0 HD13 ILE A 23 0.241 -5.628 -16.063 1.00 0.00 H new ATOM 391 N GLN A 24 2.159 -10.484 -14.871 1.00 0.00 N ATOM 392 CA GLN A 24 3.264 -10.589 -13.926 1.00 0.00 C ATOM 393 C GLN A 24 3.928 -11.960 -14.014 1.00 0.00 C ATOM 394 O GLN A 24 3.534 -12.896 -13.319 1.00 0.00 O ATOM 395 CB GLN A 24 2.770 -10.339 -12.500 1.00 0.00 C ATOM 396 CG GLN A 24 3.403 -9.124 -11.841 1.00 0.00 C ATOM 397 CD GLN A 24 3.389 -7.901 -12.737 1.00 0.00 C ATOM 398 OE1 GLN A 24 4.420 -7.505 -13.283 1.00 0.00 O ATOM 399 NE2 GLN A 24 2.218 -7.295 -12.894 1.00 0.00 N ATOM 0 H GLN A 24 1.352 -11.065 -14.643 1.00 0.00 H new ATOM 0 HA GLN A 24 4.003 -9.830 -14.185 1.00 0.00 H new ATOM 0 HB2 GLN A 24 1.688 -10.210 -12.517 1.00 0.00 H new ATOM 0 HB3 GLN A 24 2.977 -11.220 -11.893 1.00 0.00 H new ATOM 0 HG2 GLN A 24 2.871 -8.899 -10.916 1.00 0.00 H new ATOM 0 HG3 GLN A 24 4.432 -9.358 -11.568 1.00 0.00 H new ATOM 0 HE21 GLN A 24 1.389 -7.657 -12.423 1.00 0.00 H new ATOM 0 HE22 GLN A 24 2.147 -6.467 -13.486 1.00 0.00 H new ATOM 408 N MET A 25 4.936 -12.070 -14.873 1.00 0.00 N ATOM 409 CA MET A 25 5.654 -13.326 -15.051 1.00 0.00 C ATOM 410 C MET A 25 7.136 -13.155 -14.733 1.00 0.00 C ATOM 411 O MET A 25 7.918 -14.097 -14.852 1.00 0.00 O ATOM 412 CB MET A 25 5.483 -13.838 -16.483 1.00 0.00 C ATOM 413 CG MET A 25 4.327 -14.811 -16.647 1.00 0.00 C ATOM 414 SD MET A 25 4.850 -16.407 -17.302 1.00 0.00 S ATOM 415 CE MET A 25 5.539 -17.167 -15.834 1.00 0.00 C ATOM 0 H MET A 25 5.274 -11.305 -15.456 1.00 0.00 H new ATOM 0 HA MET A 25 5.234 -14.057 -14.359 1.00 0.00 H new ATOM 0 HB2 MET A 25 5.329 -12.988 -17.148 1.00 0.00 H new ATOM 0 HB3 MET A 25 6.405 -14.326 -16.798 1.00 0.00 H new ATOM 0 HG2 MET A 25 3.843 -14.960 -15.682 1.00 0.00 H new ATOM 0 HG3 MET A 25 3.582 -14.376 -17.313 1.00 0.00 H new ATOM 0 HE1 MET A 25 5.906 -18.164 -16.079 1.00 0.00 H new ATOM 0 HE2 MET A 25 6.363 -16.558 -15.461 1.00 0.00 H new ATOM 0 HE3 MET A 25 4.768 -17.242 -15.067 1.00 0.00 H new ATOM 425 N ASN A 26 7.514 -11.947 -14.328 1.00 0.00 N ATOM 426 CA ASN A 26 8.903 -11.653 -13.994 1.00 0.00 C ATOM 427 C ASN A 26 9.785 -11.705 -15.238 1.00 0.00 C ATOM 428 O ASN A 26 11.012 -11.716 -15.141 1.00 0.00 O ATOM 429 CB ASN A 26 9.418 -12.644 -12.948 1.00 0.00 C ATOM 430 CG ASN A 26 8.371 -12.980 -11.904 1.00 0.00 C ATOM 431 OD1 ASN A 26 8.047 -12.158 -11.046 1.00 0.00 O ATOM 432 ND2 ASN A 26 7.835 -14.193 -11.973 1.00 0.00 N ATOM 0 H ASN A 26 6.878 -11.156 -14.223 1.00 0.00 H new ATOM 0 HA ASN A 26 8.946 -10.645 -13.582 1.00 0.00 H new ATOM 0 HB2 ASN A 26 9.738 -13.560 -13.446 1.00 0.00 H new ATOM 0 HB3 ASN A 26 10.296 -12.225 -12.456 1.00 0.00 H new ATOM 0 HD21 ASN A 26 7.125 -14.476 -11.298 1.00 0.00 H new ATOM 0 HD22 ASN A 26 8.134 -14.842 -12.701 1.00 0.00 H new ATOM 439 N SER A 27 9.150 -11.736 -16.405 1.00 0.00 N ATOM 440 CA SER A 27 9.876 -11.790 -17.669 1.00 0.00 C ATOM 441 C SER A 27 9.590 -10.552 -18.513 1.00 0.00 C ATOM 442 O SER A 27 10.450 -9.689 -18.682 1.00 0.00 O ATOM 443 CB SER A 27 9.496 -13.051 -18.446 1.00 0.00 C ATOM 444 OG SER A 27 9.693 -14.214 -17.661 1.00 0.00 O ATOM 0 H SER A 27 8.135 -11.725 -16.502 1.00 0.00 H new ATOM 0 HA SER A 27 10.943 -11.817 -17.446 1.00 0.00 H new ATOM 0 HB2 SER A 27 8.453 -12.990 -18.756 1.00 0.00 H new ATOM 0 HB3 SER A 27 10.095 -13.116 -19.354 1.00 0.00 H new ATOM 0 HG SER A 27 9.441 -15.006 -18.180 1.00 0.00 H new ATOM 450 N ASN A 28 8.373 -10.473 -19.042 1.00 0.00 N ATOM 451 CA ASN A 28 7.971 -9.341 -19.870 1.00 0.00 C ATOM 452 C ASN A 28 6.504 -8.993 -19.640 1.00 0.00 C ATOM 453 O ASN A 28 5.717 -9.831 -19.200 1.00 0.00 O ATOM 454 CB ASN A 28 8.206 -9.656 -21.349 1.00 0.00 C ATOM 455 CG ASN A 28 8.973 -10.949 -21.550 1.00 0.00 C ATOM 456 OD1 ASN A 28 8.389 -11.990 -21.848 1.00 0.00 O ATOM 457 ND2 ASN A 28 10.290 -10.887 -21.387 1.00 0.00 N ATOM 0 H ASN A 28 7.648 -11.179 -18.912 1.00 0.00 H new ATOM 0 HA ASN A 28 8.579 -8.482 -19.587 1.00 0.00 H new ATOM 0 HB2 ASN A 28 7.246 -9.723 -21.860 1.00 0.00 H new ATOM 0 HB3 ASN A 28 8.756 -8.835 -21.810 1.00 0.00 H new ATOM 0 HD21 ASN A 28 10.859 -11.725 -21.509 1.00 0.00 H new ATOM 0 HD22 ASN A 28 10.732 -10.002 -21.140 1.00 0.00 H new ATOM 464 N PHE A 29 6.143 -7.750 -19.940 1.00 0.00 N ATOM 465 CA PHE A 29 4.770 -7.289 -19.766 1.00 0.00 C ATOM 466 C PHE A 29 3.964 -7.482 -21.047 1.00 0.00 C ATOM 467 O PHE A 29 2.795 -7.868 -21.008 1.00 0.00 O ATOM 468 CB PHE A 29 4.753 -5.814 -19.357 1.00 0.00 C ATOM 469 CG PHE A 29 4.500 -5.602 -17.892 1.00 0.00 C ATOM 470 CD1 PHE A 29 5.424 -6.018 -16.948 1.00 0.00 C ATOM 471 CD2 PHE A 29 3.337 -4.986 -17.458 1.00 0.00 C ATOM 472 CE1 PHE A 29 5.195 -5.824 -15.599 1.00 0.00 C ATOM 473 CE2 PHE A 29 3.102 -4.788 -16.111 1.00 0.00 C ATOM 474 CZ PHE A 29 4.031 -5.209 -15.180 1.00 0.00 C ATOM 0 H PHE A 29 6.782 -7.044 -20.305 1.00 0.00 H new ATOM 0 HA PHE A 29 4.311 -7.884 -18.976 1.00 0.00 H new ATOM 0 HB2 PHE A 29 5.708 -5.361 -19.622 1.00 0.00 H new ATOM 0 HB3 PHE A 29 3.984 -5.295 -19.929 1.00 0.00 H new ATOM 0 HD1 PHE A 29 6.335 -6.500 -17.270 1.00 0.00 H new ATOM 0 HD2 PHE A 29 2.606 -4.657 -18.181 1.00 0.00 H new ATOM 0 HE1 PHE A 29 5.925 -6.153 -14.874 1.00 0.00 H new ATOM 0 HE2 PHE A 29 2.193 -4.304 -15.786 1.00 0.00 H new ATOM 0 HZ PHE A 29 3.848 -5.058 -14.126 1.00 0.00 H new ATOM 484 N THR A 30 4.598 -7.211 -22.184 1.00 0.00 N ATOM 485 CA THR A 30 3.941 -7.353 -23.477 1.00 0.00 C ATOM 486 C THR A 30 4.678 -8.353 -24.361 1.00 0.00 C ATOM 487 O THR A 30 4.367 -8.500 -25.543 1.00 0.00 O ATOM 488 CB THR A 30 3.851 -6.003 -24.213 1.00 0.00 C ATOM 489 OG1 THR A 30 3.006 -6.126 -25.362 1.00 0.00 O ATOM 490 CG2 THR A 30 5.232 -5.527 -24.641 1.00 0.00 C ATOM 0 H THR A 30 5.566 -6.892 -22.235 1.00 0.00 H new ATOM 0 HA THR A 30 2.933 -7.719 -23.281 1.00 0.00 H new ATOM 0 HB THR A 30 3.427 -5.269 -23.528 1.00 0.00 H new ATOM 0 HG1 THR A 30 3.210 -6.963 -25.830 1.00 0.00 H new ATOM 0 HG21 THR A 30 5.143 -4.572 -25.159 1.00 0.00 H new ATOM 0 HG22 THR A 30 5.864 -5.406 -23.761 1.00 0.00 H new ATOM 0 HG23 THR A 30 5.679 -6.262 -25.310 1.00 0.00 H new ATOM 498 N LYS A 31 5.657 -9.039 -23.782 1.00 0.00 N ATOM 499 CA LYS A 31 6.439 -10.027 -24.516 1.00 0.00 C ATOM 500 C LYS A 31 6.311 -11.406 -23.876 1.00 0.00 C ATOM 501 O LYS A 31 6.713 -12.412 -24.462 1.00 0.00 O ATOM 502 CB LYS A 31 7.910 -9.610 -24.564 1.00 0.00 C ATOM 503 CG LYS A 31 8.139 -8.145 -24.233 1.00 0.00 C ATOM 504 CD LYS A 31 9.616 -7.790 -24.266 1.00 0.00 C ATOM 505 CE LYS A 31 10.058 -7.374 -25.661 1.00 0.00 C ATOM 506 NZ LYS A 31 10.522 -5.960 -25.697 1.00 0.00 N ATOM 0 H LYS A 31 5.928 -8.929 -22.805 1.00 0.00 H new ATOM 0 HA LYS A 31 6.050 -10.080 -25.533 1.00 0.00 H new ATOM 0 HB2 LYS A 31 8.476 -10.225 -23.864 1.00 0.00 H new ATOM 0 HB3 LYS A 31 8.305 -9.815 -25.559 1.00 0.00 H new ATOM 0 HG2 LYS A 31 7.598 -7.521 -24.945 1.00 0.00 H new ATOM 0 HG3 LYS A 31 7.733 -7.927 -23.245 1.00 0.00 H new ATOM 0 HD2 LYS A 31 9.812 -6.979 -23.564 1.00 0.00 H new ATOM 0 HD3 LYS A 31 10.205 -8.646 -23.937 1.00 0.00 H new ATOM 0 HE2 LYS A 31 10.862 -8.029 -25.998 1.00 0.00 H new ATOM 0 HE3 LYS A 31 9.230 -7.502 -26.358 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 10.814 -5.715 -26.665 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 9.747 -5.333 -25.400 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 11.329 -5.843 -25.051 1.00 0.00 H new ATOM 520 N ASP A 32 5.747 -11.445 -22.674 1.00 0.00 N ATOM 521 CA ASP A 32 5.563 -12.702 -21.957 1.00 0.00 C ATOM 522 C ASP A 32 4.195 -13.305 -22.258 1.00 0.00 C ATOM 523 O ASP A 32 4.081 -14.262 -23.024 1.00 0.00 O ATOM 524 CB ASP A 32 5.717 -12.481 -20.451 1.00 0.00 C ATOM 525 CG ASP A 32 5.548 -13.762 -19.658 1.00 0.00 C ATOM 526 OD1 ASP A 32 4.401 -14.243 -19.547 1.00 0.00 O ATOM 527 OD2 ASP A 32 6.562 -14.283 -19.148 1.00 0.00 O ATOM 0 H ASP A 32 5.409 -10.622 -22.176 1.00 0.00 H new ATOM 0 HA ASP A 32 6.329 -13.400 -22.295 1.00 0.00 H new ATOM 0 HB2 ASP A 32 6.701 -12.058 -20.247 1.00 0.00 H new ATOM 0 HB3 ASP A 32 4.981 -11.750 -20.117 1.00 0.00 H new ATOM 532 N LEU A 33 3.158 -12.739 -21.650 1.00 0.00 N ATOM 533 CA LEU A 33 1.796 -13.221 -21.852 1.00 0.00 C ATOM 534 C LEU A 33 1.290 -12.857 -23.245 1.00 0.00 C ATOM 535 O LEU A 33 0.192 -13.247 -23.639 1.00 0.00 O ATOM 536 CB LEU A 33 0.864 -12.635 -20.790 1.00 0.00 C ATOM 537 CG LEU A 33 0.283 -11.254 -21.094 1.00 0.00 C ATOM 538 CD1 LEU A 33 1.363 -10.328 -21.632 1.00 0.00 C ATOM 539 CD2 LEU A 33 -0.868 -11.365 -22.083 1.00 0.00 C ATOM 0 H LEU A 33 3.234 -11.946 -21.013 1.00 0.00 H new ATOM 0 HA LEU A 33 1.804 -14.307 -21.761 1.00 0.00 H new ATOM 0 HB2 LEU A 33 0.037 -13.329 -20.638 1.00 0.00 H new ATOM 0 HB3 LEU A 33 1.410 -12.578 -19.848 1.00 0.00 H new ATOM 0 HG LEU A 33 -0.102 -10.830 -20.166 1.00 0.00 H new ATOM 0 HD11 LEU A 33 0.931 -9.350 -21.843 1.00 0.00 H new ATOM 0 HD12 LEU A 33 2.155 -10.223 -20.890 1.00 0.00 H new ATOM 0 HD13 LEU A 33 1.778 -10.747 -22.549 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -1.269 -10.372 -22.287 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -0.509 -11.809 -23.011 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -1.652 -11.993 -21.660 1.00 0.00 H new ATOM 551 N GLY A 34 2.101 -12.108 -23.986 1.00 0.00 N ATOM 552 CA GLY A 34 1.720 -11.706 -25.328 1.00 0.00 C ATOM 553 C GLY A 34 0.410 -10.943 -25.354 1.00 0.00 C ATOM 554 O GLY A 34 -0.590 -11.433 -25.877 1.00 0.00 O ATOM 0 H GLY A 34 3.015 -11.772 -23.681 1.00 0.00 H new ATOM 0 HA2 GLY A 34 2.507 -11.085 -25.755 1.00 0.00 H new ATOM 0 HA3 GLY A 34 1.634 -12.591 -25.959 1.00 0.00 H new ATOM 558 N ALA A 35 0.416 -9.742 -24.786 1.00 0.00 N ATOM 559 CA ALA A 35 -0.781 -8.910 -24.747 1.00 0.00 C ATOM 560 C ALA A 35 -0.855 -7.997 -25.966 1.00 0.00 C ATOM 561 O ALA A 35 -1.593 -8.269 -26.913 1.00 0.00 O ATOM 562 CB ALA A 35 -0.811 -8.088 -23.467 1.00 0.00 C ATOM 0 H ALA A 35 1.236 -9.323 -24.347 1.00 0.00 H new ATOM 0 HA ALA A 35 -1.651 -9.567 -24.764 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -1.710 -7.472 -23.451 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -0.814 -8.756 -22.606 1.00 0.00 H new ATOM 0 HB3 ALA A 35 0.069 -7.447 -23.426 1.00 0.00 H new ATOM 568 N ASP A 36 -0.086 -6.914 -25.936 1.00 0.00 N ATOM 569 CA ASP A 36 -0.064 -5.961 -27.039 1.00 0.00 C ATOM 570 C ASP A 36 0.877 -4.800 -26.736 1.00 0.00 C ATOM 571 O ASP A 36 0.851 -4.187 -25.670 1.00 0.00 O ATOM 572 CB ASP A 36 -1.473 -5.432 -27.313 1.00 0.00 C ATOM 573 CG ASP A 36 -1.943 -5.739 -28.721 1.00 0.00 C ATOM 574 OD1 ASP A 36 -2.376 -6.884 -28.966 1.00 0.00 O ATOM 575 OD2 ASP A 36 -1.877 -4.833 -29.579 1.00 0.00 O ATOM 0 H ASP A 36 0.530 -6.674 -25.159 1.00 0.00 H new ATOM 0 HA ASP A 36 0.301 -6.479 -27.926 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -2.168 -5.871 -26.597 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -1.490 -4.354 -27.154 1.00 0.00 H new ATOM 580 N SER A 37 1.751 -4.475 -27.705 1.00 0.00 N ATOM 581 CA SER A 37 2.765 -3.399 -27.642 1.00 0.00 C ATOM 582 C SER A 37 2.160 -2.034 -27.274 1.00 0.00 C ATOM 583 O SER A 37 2.657 -1.318 -26.404 1.00 0.00 O ATOM 584 CB SER A 37 3.466 -3.362 -29.009 1.00 0.00 C ATOM 585 OG SER A 37 2.564 -2.954 -30.039 1.00 0.00 O ATOM 0 H SER A 37 1.774 -4.975 -28.594 1.00 0.00 H new ATOM 0 HA SER A 37 3.480 -3.611 -26.847 1.00 0.00 H new ATOM 0 HB2 SER A 37 4.312 -2.675 -28.969 1.00 0.00 H new ATOM 0 HB3 SER A 37 3.867 -4.348 -29.242 1.00 0.00 H new ATOM 590 N LEU A 38 1.075 -1.690 -27.960 1.00 0.00 N ATOM 591 CA LEU A 38 0.389 -0.424 -27.724 1.00 0.00 C ATOM 592 C LEU A 38 -0.293 -0.420 -26.360 1.00 0.00 C ATOM 593 O LEU A 38 -0.237 0.570 -25.630 1.00 0.00 O ATOM 594 CB LEU A 38 -0.642 -0.168 -28.824 1.00 0.00 C ATOM 595 CG LEU A 38 -0.224 -0.560 -30.241 1.00 0.00 C ATOM 596 CD1 LEU A 38 -0.771 -1.934 -30.598 1.00 0.00 C ATOM 597 CD2 LEU A 38 -0.698 0.481 -31.245 1.00 0.00 C ATOM 0 H LEU A 38 0.651 -2.270 -28.684 1.00 0.00 H new ATOM 0 HA LEU A 38 1.133 0.373 -27.739 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -1.554 -0.710 -28.573 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -0.891 0.893 -28.821 1.00 0.00 H new ATOM 0 HG LEU A 38 0.864 -0.603 -30.279 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -0.463 -2.196 -31.610 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -0.383 -2.673 -29.898 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -1.859 -1.918 -30.542 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -0.391 0.185 -32.248 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -1.785 0.557 -31.205 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -0.258 1.448 -31.002 1.00 0.00 H new ATOM 609 N ASP A 39 -0.934 -1.533 -26.021 1.00 0.00 N ATOM 610 CA ASP A 39 -1.624 -1.660 -24.743 1.00 0.00 C ATOM 611 C ASP A 39 -0.661 -1.434 -23.581 1.00 0.00 C ATOM 612 O ASP A 39 -0.970 -0.703 -22.638 1.00 0.00 O ATOM 613 CB ASP A 39 -2.272 -3.040 -24.623 1.00 0.00 C ATOM 614 CG ASP A 39 -3.425 -3.223 -25.590 1.00 0.00 C ATOM 615 OD1 ASP A 39 -3.677 -2.303 -26.396 1.00 0.00 O ATOM 616 OD2 ASP A 39 -4.075 -4.288 -25.542 1.00 0.00 O ATOM 0 H ASP A 39 -0.990 -2.361 -26.614 1.00 0.00 H new ATOM 0 HA ASP A 39 -2.402 -0.898 -24.701 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -1.521 -3.808 -24.808 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -2.630 -3.183 -23.603 1.00 0.00 H new ATOM 621 N LEU A 40 0.505 -2.066 -23.654 1.00 0.00 N ATOM 622 CA LEU A 40 1.513 -1.935 -22.608 1.00 0.00 C ATOM 623 C LEU A 40 2.018 -0.498 -22.515 1.00 0.00 C ATOM 624 O LEU A 40 2.221 0.030 -21.422 1.00 0.00 O ATOM 625 CB LEU A 40 2.683 -2.882 -22.878 1.00 0.00 C ATOM 626 CG LEU A 40 4.009 -2.519 -22.209 1.00 0.00 C ATOM 627 CD1 LEU A 40 4.781 -3.775 -21.837 1.00 0.00 C ATOM 628 CD2 LEU A 40 4.842 -1.630 -23.122 1.00 0.00 C ATOM 0 H LEU A 40 0.776 -2.674 -24.427 1.00 0.00 H new ATOM 0 HA LEU A 40 1.051 -2.201 -21.657 1.00 0.00 H new ATOM 0 HB2 LEU A 40 2.397 -3.882 -22.553 1.00 0.00 H new ATOM 0 HB3 LEU A 40 2.844 -2.931 -23.955 1.00 0.00 H new ATOM 0 HG LEU A 40 3.793 -1.966 -21.295 1.00 0.00 H new ATOM 0 HD11 LEU A 40 5.722 -3.497 -21.362 1.00 0.00 H new ATOM 0 HD12 LEU A 40 4.189 -4.375 -21.146 1.00 0.00 H new ATOM 0 HD13 LEU A 40 4.986 -4.356 -22.736 1.00 0.00 H new ATOM 0 HD21 LEU A 40 5.782 -1.382 -22.629 1.00 0.00 H new ATOM 0 HD22 LEU A 40 5.049 -2.157 -24.053 1.00 0.00 H new ATOM 0 HD23 LEU A 40 4.293 -0.714 -23.338 1.00 0.00 H new ATOM 640 N VAL A 41 2.217 0.130 -23.669 1.00 0.00 N ATOM 641 CA VAL A 41 2.695 1.506 -23.719 1.00 0.00 C ATOM 642 C VAL A 41 1.636 2.474 -23.202 1.00 0.00 C ATOM 643 O VAL A 41 1.957 3.558 -22.716 1.00 0.00 O ATOM 644 CB VAL A 41 3.090 1.912 -25.151 1.00 0.00 C ATOM 645 CG1 VAL A 41 3.515 3.372 -25.194 1.00 0.00 C ATOM 646 CG2 VAL A 41 4.197 1.010 -25.674 1.00 0.00 C ATOM 0 H VAL A 41 2.054 -0.293 -24.583 1.00 0.00 H new ATOM 0 HA VAL A 41 3.576 1.559 -23.079 1.00 0.00 H new ATOM 0 HB VAL A 41 2.220 1.793 -25.797 1.00 0.00 H new ATOM 0 HG11 VAL A 41 3.791 3.641 -26.214 1.00 0.00 H new ATOM 0 HG12 VAL A 41 2.689 4.001 -24.863 1.00 0.00 H new ATOM 0 HG13 VAL A 41 4.371 3.521 -24.536 1.00 0.00 H new ATOM 0 HG21 VAL A 41 4.464 1.311 -26.687 1.00 0.00 H new ATOM 0 HG22 VAL A 41 5.071 1.095 -25.028 1.00 0.00 H new ATOM 0 HG23 VAL A 41 3.851 -0.024 -25.682 1.00 0.00 H new ATOM 656 N GLU A 42 0.373 2.074 -23.309 1.00 0.00 N ATOM 657 CA GLU A 42 -0.733 2.907 -22.852 1.00 0.00 C ATOM 658 C GLU A 42 -0.786 2.952 -21.328 1.00 0.00 C ATOM 659 O GLU A 42 -0.600 4.007 -20.720 1.00 0.00 O ATOM 660 CB GLU A 42 -2.059 2.380 -23.404 1.00 0.00 C ATOM 661 CG GLU A 42 -2.211 2.566 -24.905 1.00 0.00 C ATOM 662 CD GLU A 42 -3.386 3.455 -25.266 1.00 0.00 C ATOM 663 OE1 GLU A 42 -3.675 4.397 -24.498 1.00 0.00 O ATOM 664 OE2 GLU A 42 -4.016 3.209 -26.316 1.00 0.00 O ATOM 0 H GLU A 42 0.090 1.179 -23.708 1.00 0.00 H new ATOM 0 HA GLU A 42 -0.570 3.919 -23.223 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -2.146 1.320 -23.167 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -2.881 2.888 -22.899 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -1.295 2.998 -25.308 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -2.338 1.592 -25.377 1.00 0.00 H new ATOM 671 N LEU A 43 -1.042 1.801 -20.716 1.00 0.00 N ATOM 672 CA LEU A 43 -1.120 1.708 -19.263 1.00 0.00 C ATOM 673 C LEU A 43 0.110 2.330 -18.610 1.00 0.00 C ATOM 674 O LEU A 43 0.003 3.029 -17.602 1.00 0.00 O ATOM 675 CB LEU A 43 -1.256 0.246 -18.832 1.00 0.00 C ATOM 676 CG LEU A 43 -0.126 -0.689 -19.264 1.00 0.00 C ATOM 677 CD1 LEU A 43 0.844 -0.919 -18.116 1.00 0.00 C ATOM 678 CD2 LEU A 43 -0.689 -2.011 -19.763 1.00 0.00 C ATOM 0 H LEU A 43 -1.199 0.919 -21.204 1.00 0.00 H new ATOM 0 HA LEU A 43 -2.001 2.261 -18.936 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -1.331 0.214 -17.745 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -2.194 -0.143 -19.228 1.00 0.00 H new ATOM 0 HG LEU A 43 0.418 -0.217 -20.083 1.00 0.00 H new ATOM 0 HD11 LEU A 43 1.642 -1.587 -18.442 1.00 0.00 H new ATOM 0 HD12 LEU A 43 1.273 0.034 -17.805 1.00 0.00 H new ATOM 0 HD13 LEU A 43 0.314 -1.369 -17.277 1.00 0.00 H new ATOM 0 HD21 LEU A 43 0.130 -2.664 -20.066 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -1.258 -2.489 -18.965 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -1.343 -1.829 -20.616 1.00 0.00 H new ATOM 690 N ILE A 44 1.276 2.072 -19.192 1.00 0.00 N ATOM 691 CA ILE A 44 2.526 2.609 -18.669 1.00 0.00 C ATOM 692 C ILE A 44 2.530 4.133 -18.712 1.00 0.00 C ATOM 693 O ILE A 44 2.915 4.791 -17.746 1.00 0.00 O ATOM 694 CB ILE A 44 3.740 2.081 -19.457 1.00 0.00 C ATOM 695 CG1 ILE A 44 3.965 0.598 -19.156 1.00 0.00 C ATOM 696 CG2 ILE A 44 4.983 2.891 -19.120 1.00 0.00 C ATOM 697 CD1 ILE A 44 5.014 -0.044 -20.036 1.00 0.00 C ATOM 0 H ILE A 44 1.381 1.494 -20.026 1.00 0.00 H new ATOM 0 HA ILE A 44 2.603 2.277 -17.634 1.00 0.00 H new ATOM 0 HB ILE A 44 3.538 2.189 -20.523 1.00 0.00 H new ATOM 0 HG12 ILE A 44 4.261 0.488 -18.113 1.00 0.00 H new ATOM 0 HG13 ILE A 44 3.023 0.064 -19.278 1.00 0.00 H new ATOM 0 HG21 ILE A 44 5.832 2.506 -19.684 1.00 0.00 H new ATOM 0 HG22 ILE A 44 4.818 3.936 -19.381 1.00 0.00 H new ATOM 0 HG23 ILE A 44 5.191 2.812 -18.053 1.00 0.00 H new ATOM 0 HD11 ILE A 44 5.121 -1.095 -19.767 1.00 0.00 H new ATOM 0 HD12 ILE A 44 4.711 0.034 -21.080 1.00 0.00 H new ATOM 0 HD13 ILE A 44 5.968 0.465 -19.896 1.00 0.00 H new ATOM 709 N MET A 45 2.097 4.689 -19.840 1.00 0.00 N ATOM 710 CA MET A 45 2.048 6.137 -20.008 1.00 0.00 C ATOM 711 C MET A 45 1.276 6.791 -18.866 1.00 0.00 C ATOM 712 O MET A 45 1.590 7.905 -18.451 1.00 0.00 O ATOM 713 CB MET A 45 1.401 6.494 -21.347 1.00 0.00 C ATOM 714 CG MET A 45 -0.031 6.986 -21.218 1.00 0.00 C ATOM 715 SD MET A 45 -0.842 7.191 -22.816 1.00 0.00 S ATOM 716 CE MET A 45 -0.384 8.875 -23.215 1.00 0.00 C ATOM 0 H MET A 45 1.776 4.159 -20.650 1.00 0.00 H new ATOM 0 HA MET A 45 3.070 6.515 -19.994 1.00 0.00 H new ATOM 0 HB2 MET A 45 1.998 7.264 -21.836 1.00 0.00 H new ATOM 0 HB3 MET A 45 1.418 5.618 -21.995 1.00 0.00 H new ATOM 0 HG2 MET A 45 -0.601 6.280 -20.614 1.00 0.00 H new ATOM 0 HG3 MET A 45 -0.038 7.938 -20.687 1.00 0.00 H new ATOM 0 HE1 MET A 45 -0.812 9.150 -24.179 1.00 0.00 H new ATOM 0 HE2 MET A 45 -0.763 9.547 -22.445 1.00 0.00 H new ATOM 0 HE3 MET A 45 0.702 8.955 -23.264 1.00 0.00 H new ATOM 726 N ALA A 46 0.265 6.090 -18.364 1.00 0.00 N ATOM 727 CA ALA A 46 -0.551 6.602 -17.270 1.00 0.00 C ATOM 728 C ALA A 46 0.198 6.523 -15.944 1.00 0.00 C ATOM 729 O ALA A 46 0.132 7.442 -15.126 1.00 0.00 O ATOM 730 CB ALA A 46 -1.861 5.834 -17.184 1.00 0.00 C ATOM 0 H ALA A 46 -0.009 5.166 -18.698 1.00 0.00 H new ATOM 0 HA ALA A 46 -0.770 7.650 -17.473 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -2.460 6.227 -16.363 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -2.410 5.945 -18.119 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -1.653 4.778 -17.009 1.00 0.00 H new ATOM 736 N LEU A 47 0.910 5.420 -15.736 1.00 0.00 N ATOM 737 CA LEU A 47 1.671 5.221 -14.508 1.00 0.00 C ATOM 738 C LEU A 47 2.635 6.380 -14.271 1.00 0.00 C ATOM 739 O LEU A 47 2.623 7.001 -13.208 1.00 0.00 O ATOM 740 CB LEU A 47 2.446 3.904 -14.573 1.00 0.00 C ATOM 741 CG LEU A 47 2.505 3.095 -13.276 1.00 0.00 C ATOM 742 CD1 LEU A 47 3.273 1.800 -13.490 1.00 0.00 C ATOM 743 CD2 LEU A 47 3.140 3.917 -12.164 1.00 0.00 C ATOM 0 H LEU A 47 0.976 4.650 -16.402 1.00 0.00 H new ATOM 0 HA LEU A 47 0.968 5.181 -13.676 1.00 0.00 H new ATOM 0 HB2 LEU A 47 1.999 3.280 -15.347 1.00 0.00 H new ATOM 0 HB3 LEU A 47 3.466 4.121 -14.889 1.00 0.00 H new ATOM 0 HG LEU A 47 1.487 2.844 -12.979 1.00 0.00 H new ATOM 0 HD11 LEU A 47 3.305 1.237 -12.557 1.00 0.00 H new ATOM 0 HD12 LEU A 47 2.776 1.205 -14.256 1.00 0.00 H new ATOM 0 HD13 LEU A 47 4.289 2.028 -13.811 1.00 0.00 H new ATOM 0 HD21 LEU A 47 3.174 3.326 -11.249 1.00 0.00 H new ATOM 0 HD22 LEU A 47 4.153 4.198 -12.452 1.00 0.00 H new ATOM 0 HD23 LEU A 47 2.549 4.817 -11.993 1.00 0.00 H new ATOM 755 N GLU A 48 3.465 6.666 -15.268 1.00 0.00 N ATOM 756 CA GLU A 48 4.434 7.751 -15.167 1.00 0.00 C ATOM 757 C GLU A 48 3.730 9.100 -15.052 1.00 0.00 C ATOM 758 O GLU A 48 4.105 9.939 -14.235 1.00 0.00 O ATOM 759 CB GLU A 48 5.362 7.751 -16.384 1.00 0.00 C ATOM 760 CG GLU A 48 4.626 7.819 -17.711 1.00 0.00 C ATOM 761 CD GLU A 48 4.481 9.238 -18.226 1.00 0.00 C ATOM 762 OE1 GLU A 48 4.786 10.180 -17.464 1.00 0.00 O ATOM 763 OE2 GLU A 48 4.064 9.407 -19.391 1.00 0.00 O ATOM 0 H GLU A 48 3.486 6.162 -16.155 1.00 0.00 H new ATOM 0 HA GLU A 48 5.027 7.591 -14.266 1.00 0.00 H new ATOM 0 HB2 GLU A 48 6.042 8.600 -16.312 1.00 0.00 H new ATOM 0 HB3 GLU A 48 5.974 6.849 -16.364 1.00 0.00 H new ATOM 0 HG2 GLU A 48 5.160 7.221 -18.450 1.00 0.00 H new ATOM 0 HG3 GLU A 48 3.637 7.375 -17.597 1.00 0.00 H new ATOM 770 N GLU A 49 2.707 9.299 -15.877 1.00 0.00 N ATOM 771 CA GLU A 49 1.951 10.546 -15.869 1.00 0.00 C ATOM 772 C GLU A 49 1.441 10.864 -14.466 1.00 0.00 C ATOM 773 O GLU A 49 1.260 12.027 -14.107 1.00 0.00 O ATOM 774 CB GLU A 49 0.775 10.463 -16.844 1.00 0.00 C ATOM 775 CG GLU A 49 0.120 11.805 -17.125 1.00 0.00 C ATOM 776 CD GLU A 49 -0.041 12.076 -18.608 1.00 0.00 C ATOM 777 OE1 GLU A 49 0.988 12.251 -19.294 1.00 0.00 O ATOM 778 OE2 GLU A 49 -1.195 12.114 -19.083 1.00 0.00 O ATOM 0 H GLU A 49 2.383 8.613 -16.559 1.00 0.00 H new ATOM 0 HA GLU A 49 2.619 11.347 -16.185 1.00 0.00 H new ATOM 0 HB2 GLU A 49 1.123 10.034 -17.784 1.00 0.00 H new ATOM 0 HB3 GLU A 49 0.027 9.781 -16.440 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -0.858 11.835 -16.646 1.00 0.00 H new ATOM 0 HG3 GLU A 49 0.719 12.598 -16.677 1.00 0.00 H new ATOM 785 N LYS A 50 1.210 9.820 -13.677 1.00 0.00 N ATOM 786 CA LYS A 50 0.721 9.985 -12.313 1.00 0.00 C ATOM 787 C LYS A 50 1.879 10.188 -11.341 1.00 0.00 C ATOM 788 O LYS A 50 1.822 11.050 -10.463 1.00 0.00 O ATOM 789 CB LYS A 50 -0.102 8.765 -11.893 1.00 0.00 C ATOM 790 CG LYS A 50 -0.228 8.605 -10.388 1.00 0.00 C ATOM 791 CD LYS A 50 -0.740 9.877 -9.733 1.00 0.00 C ATOM 792 CE LYS A 50 -1.921 9.595 -8.816 1.00 0.00 C ATOM 793 NZ LYS A 50 -2.910 10.708 -8.828 1.00 0.00 N ATOM 0 H LYS A 50 1.354 8.850 -13.959 1.00 0.00 H new ATOM 0 HA LYS A 50 0.087 10.871 -12.286 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -1.099 8.843 -12.326 1.00 0.00 H new ATOM 0 HB3 LYS A 50 0.356 7.868 -12.308 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -0.906 7.781 -10.164 1.00 0.00 H new ATOM 0 HG3 LYS A 50 0.742 8.343 -9.967 1.00 0.00 H new ATOM 0 HD2 LYS A 50 0.063 10.342 -9.161 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -1.037 10.590 -10.502 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -2.410 8.672 -9.127 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -1.562 9.439 -7.799 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -3.699 10.478 -8.191 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -2.451 11.584 -8.507 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -3.272 10.840 -9.794 1.00 0.00 H new ATOM 807 N PHE A 51 2.930 9.391 -11.504 1.00 0.00 N ATOM 808 CA PHE A 51 4.102 9.484 -10.641 1.00 0.00 C ATOM 809 C PHE A 51 4.852 10.791 -10.883 1.00 0.00 C ATOM 810 O PHE A 51 5.706 11.184 -10.089 1.00 0.00 O ATOM 811 CB PHE A 51 5.035 8.296 -10.882 1.00 0.00 C ATOM 812 CG PHE A 51 4.994 7.270 -9.786 1.00 0.00 C ATOM 813 CD1 PHE A 51 5.084 7.653 -8.457 1.00 0.00 C ATOM 814 CD2 PHE A 51 4.864 5.923 -10.084 1.00 0.00 C ATOM 815 CE1 PHE A 51 5.048 6.711 -7.447 1.00 0.00 C ATOM 816 CE2 PHE A 51 4.827 4.976 -9.077 1.00 0.00 C ATOM 817 CZ PHE A 51 4.917 5.371 -7.757 1.00 0.00 C ATOM 0 H PHE A 51 2.994 8.673 -12.226 1.00 0.00 H new ATOM 0 HA PHE A 51 3.762 9.466 -9.605 1.00 0.00 H new ATOM 0 HB2 PHE A 51 4.767 7.820 -11.825 1.00 0.00 H new ATOM 0 HB3 PHE A 51 6.056 8.662 -10.988 1.00 0.00 H new ATOM 0 HD1 PHE A 51 5.183 8.699 -8.208 1.00 0.00 H new ATOM 0 HD2 PHE A 51 4.791 5.609 -11.115 1.00 0.00 H new ATOM 0 HE1 PHE A 51 5.122 7.022 -6.415 1.00 0.00 H new ATOM 0 HE2 PHE A 51 4.728 3.929 -9.323 1.00 0.00 H new ATOM 0 HZ PHE A 51 4.885 4.634 -6.968 1.00 0.00 H new ATOM 827 N ASN A 52 4.526 11.459 -11.985 1.00 0.00 N ATOM 828 CA ASN A 52 5.170 12.720 -12.332 1.00 0.00 C ATOM 829 C ASN A 52 6.640 12.504 -12.679 1.00 0.00 C ATOM 830 O ASN A 52 7.513 13.237 -12.215 1.00 0.00 O ATOM 831 CB ASN A 52 5.048 13.714 -11.176 1.00 0.00 C ATOM 832 CG ASN A 52 5.264 15.148 -11.620 1.00 0.00 C ATOM 833 OD1 ASN A 52 6.138 15.431 -12.440 1.00 0.00 O ATOM 834 ND2 ASN A 52 4.466 16.062 -11.080 1.00 0.00 N ATOM 0 H ASN A 52 3.820 11.148 -12.652 1.00 0.00 H new ATOM 0 HA ASN A 52 4.665 13.128 -13.208 1.00 0.00 H new ATOM 0 HB2 ASN A 52 4.061 13.622 -10.724 1.00 0.00 H new ATOM 0 HB3 ASN A 52 5.776 13.462 -10.405 1.00 0.00 H new ATOM 0 HD21 ASN A 52 4.564 17.043 -11.341 1.00 0.00 H new ATOM 0 HD22 ASN A 52 3.755 15.783 -10.404 1.00 0.00 H new ATOM 841 N VAL A 53 6.906 11.493 -13.500 1.00 0.00 N ATOM 842 CA VAL A 53 8.269 11.180 -13.911 1.00 0.00 C ATOM 843 C VAL A 53 8.440 11.344 -15.417 1.00 0.00 C ATOM 844 O VAL A 53 7.507 11.731 -16.121 1.00 0.00 O ATOM 845 CB VAL A 53 8.660 9.744 -13.514 1.00 0.00 C ATOM 846 CG1 VAL A 53 9.358 9.735 -12.163 1.00 0.00 C ATOM 847 CG2 VAL A 53 7.434 8.845 -13.496 1.00 0.00 C ATOM 0 H VAL A 53 6.195 10.877 -13.894 1.00 0.00 H new ATOM 0 HA VAL A 53 8.924 11.882 -13.395 1.00 0.00 H new ATOM 0 HB VAL A 53 9.356 9.356 -14.258 1.00 0.00 H new ATOM 0 HG11 VAL A 53 9.627 8.712 -11.899 1.00 0.00 H new ATOM 0 HG12 VAL A 53 10.260 10.345 -12.215 1.00 0.00 H new ATOM 0 HG13 VAL A 53 8.689 10.141 -11.405 1.00 0.00 H new ATOM 0 HG21 VAL A 53 7.728 7.834 -13.214 1.00 0.00 H new ATOM 0 HG22 VAL A 53 6.713 9.228 -12.774 1.00 0.00 H new ATOM 0 HG23 VAL A 53 6.981 8.827 -14.487 1.00 0.00 H new ATOM 857 N THR A 54 9.640 11.047 -15.907 1.00 0.00 N ATOM 858 CA THR A 54 9.935 11.161 -17.329 1.00 0.00 C ATOM 859 C THR A 54 10.680 9.932 -17.837 1.00 0.00 C ATOM 860 O THR A 54 11.904 9.946 -17.965 1.00 0.00 O ATOM 861 CB THR A 54 10.774 12.417 -17.630 1.00 0.00 C ATOM 862 OG1 THR A 54 11.196 12.409 -18.998 1.00 0.00 O ATOM 863 CG2 THR A 54 11.991 12.485 -16.719 1.00 0.00 C ATOM 0 H THR A 54 10.424 10.725 -15.339 1.00 0.00 H new ATOM 0 HA THR A 54 8.978 11.240 -17.844 1.00 0.00 H new ATOM 0 HB THR A 54 10.153 13.294 -17.448 1.00 0.00 H new ATOM 0 HG1 THR A 54 11.727 13.212 -19.181 1.00 0.00 H new ATOM 0 HG21 THR A 54 12.569 13.380 -16.950 1.00 0.00 H new ATOM 0 HG22 THR A 54 11.666 12.521 -15.679 1.00 0.00 H new ATOM 0 HG23 THR A 54 12.612 11.603 -16.875 1.00 0.00 H new ATOM 871 N ILE A 55 9.933 8.872 -18.127 1.00 0.00 N ATOM 872 CA ILE A 55 10.524 7.635 -18.623 1.00 0.00 C ATOM 873 C ILE A 55 9.985 7.284 -20.005 1.00 0.00 C ATOM 874 O ILE A 55 10.746 7.149 -20.964 1.00 0.00 O ATOM 875 CB ILE A 55 10.255 6.459 -17.665 1.00 0.00 C ATOM 876 CG1 ILE A 55 9.940 6.978 -16.261 1.00 0.00 C ATOM 877 CG2 ILE A 55 11.451 5.519 -17.632 1.00 0.00 C ATOM 878 CD1 ILE A 55 8.481 7.319 -16.057 1.00 0.00 C ATOM 0 H ILE A 55 8.918 8.845 -18.027 1.00 0.00 H new ATOM 0 HA ILE A 55 11.599 7.802 -18.687 1.00 0.00 H new ATOM 0 HB ILE A 55 9.391 5.904 -18.029 1.00 0.00 H new ATOM 0 HG12 ILE A 55 10.235 6.226 -15.530 1.00 0.00 H new ATOM 0 HG13 ILE A 55 10.543 7.865 -16.066 1.00 0.00 H new ATOM 0 HG21 ILE A 55 11.246 4.693 -16.951 1.00 0.00 H new ATOM 0 HG22 ILE A 55 11.634 5.127 -18.633 1.00 0.00 H new ATOM 0 HG23 ILE A 55 12.331 6.062 -17.289 1.00 0.00 H new ATOM 0 HD11 ILE A 55 8.331 7.680 -15.040 1.00 0.00 H new ATOM 0 HD12 ILE A 55 8.186 8.094 -16.765 1.00 0.00 H new ATOM 0 HD13 ILE A 55 7.873 6.429 -16.219 1.00 0.00 H new ATOM 890 N SER A 56 8.667 7.139 -20.101 1.00 0.00 N ATOM 891 CA SER A 56 8.026 6.802 -21.367 1.00 0.00 C ATOM 892 C SER A 56 8.751 5.649 -22.053 1.00 0.00 C ATOM 893 O SER A 56 8.524 4.481 -21.735 1.00 0.00 O ATOM 894 CB SER A 56 7.996 8.022 -22.289 1.00 0.00 C ATOM 895 OG SER A 56 9.181 8.788 -22.160 1.00 0.00 O ATOM 0 H SER A 56 8.023 7.250 -19.318 1.00 0.00 H new ATOM 0 HA SER A 56 7.003 6.490 -21.156 1.00 0.00 H new ATOM 0 HB2 SER A 56 7.880 7.697 -23.323 1.00 0.00 H new ATOM 0 HB3 SER A 56 7.131 8.641 -22.050 1.00 0.00 H new ATOM 0 HG SER A 56 9.953 8.188 -22.091 1.00 0.00 H new ATOM 901 N ASP A 57 9.624 5.985 -22.996 1.00 0.00 N ATOM 902 CA ASP A 57 10.384 4.979 -23.728 1.00 0.00 C ATOM 903 C ASP A 57 11.131 4.058 -22.769 1.00 0.00 C ATOM 904 O ASP A 57 10.928 2.844 -22.774 1.00 0.00 O ATOM 905 CB ASP A 57 11.372 5.651 -24.683 1.00 0.00 C ATOM 906 CG ASP A 57 10.950 5.528 -26.134 1.00 0.00 C ATOM 907 OD1 ASP A 57 9.836 5.984 -26.468 1.00 0.00 O ATOM 908 OD2 ASP A 57 11.732 4.975 -26.936 1.00 0.00 O ATOM 0 H ASP A 57 9.823 6.947 -23.272 1.00 0.00 H new ATOM 0 HA ASP A 57 9.682 4.379 -24.307 1.00 0.00 H new ATOM 0 HB2 ASP A 57 11.464 6.705 -24.423 1.00 0.00 H new ATOM 0 HB3 ASP A 57 12.358 5.204 -24.555 1.00 0.00 H new ATOM 913 N GLN A 58 11.997 4.644 -21.948 1.00 0.00 N ATOM 914 CA GLN A 58 12.776 3.875 -20.984 1.00 0.00 C ATOM 915 C GLN A 58 11.863 3.072 -20.064 1.00 0.00 C ATOM 916 O GLN A 58 12.288 2.090 -19.454 1.00 0.00 O ATOM 917 CB GLN A 58 13.664 4.805 -20.156 1.00 0.00 C ATOM 918 CG GLN A 58 15.091 4.902 -20.672 1.00 0.00 C ATOM 919 CD GLN A 58 15.176 5.576 -22.028 1.00 0.00 C ATOM 920 OE1 GLN A 58 15.505 4.940 -23.030 1.00 0.00 O ATOM 921 NE2 GLN A 58 14.880 6.870 -22.066 1.00 0.00 N ATOM 0 H GLN A 58 12.177 5.648 -21.931 1.00 0.00 H new ATOM 0 HA GLN A 58 13.407 3.179 -21.537 1.00 0.00 H new ATOM 0 HB2 GLN A 58 13.222 5.801 -20.145 1.00 0.00 H new ATOM 0 HB3 GLN A 58 13.682 4.453 -19.125 1.00 0.00 H new ATOM 0 HG2 GLN A 58 15.696 5.458 -19.955 1.00 0.00 H new ATOM 0 HG3 GLN A 58 15.518 3.901 -20.740 1.00 0.00 H new ATOM 0 HE21 GLN A 58 14.612 7.357 -21.211 1.00 0.00 H new ATOM 0 HE22 GLN A 58 14.920 7.377 -22.950 1.00 0.00 H new ATOM 930 N ASP A 59 10.607 3.495 -19.968 1.00 0.00 N ATOM 931 CA ASP A 59 9.633 2.815 -19.122 1.00 0.00 C ATOM 932 C ASP A 59 9.259 1.457 -19.708 1.00 0.00 C ATOM 933 O ASP A 59 9.495 0.418 -19.092 1.00 0.00 O ATOM 934 CB ASP A 59 8.380 3.676 -18.957 1.00 0.00 C ATOM 935 CG ASP A 59 8.031 3.916 -17.501 1.00 0.00 C ATOM 936 OD1 ASP A 59 8.963 4.020 -16.676 1.00 0.00 O ATOM 937 OD2 ASP A 59 6.826 4.002 -17.187 1.00 0.00 O ATOM 0 H ASP A 59 10.240 4.306 -20.466 1.00 0.00 H new ATOM 0 HA ASP A 59 10.086 2.656 -18.144 1.00 0.00 H new ATOM 0 HB2 ASP A 59 8.533 4.634 -19.454 1.00 0.00 H new ATOM 0 HB3 ASP A 59 7.540 3.190 -19.454 1.00 0.00 H new ATOM 942 N ALA A 60 8.674 1.474 -20.901 1.00 0.00 N ATOM 943 CA ALA A 60 8.268 0.245 -21.571 1.00 0.00 C ATOM 944 C ALA A 60 9.397 -0.780 -21.568 1.00 0.00 C ATOM 945 O ALA A 60 9.155 -1.986 -21.489 1.00 0.00 O ATOM 946 CB ALA A 60 7.825 0.541 -22.996 1.00 0.00 C ATOM 0 H ALA A 60 8.471 2.326 -21.424 1.00 0.00 H new ATOM 0 HA ALA A 60 7.427 -0.178 -21.022 1.00 0.00 H new ATOM 0 HB1 ALA A 60 7.525 -0.386 -23.484 1.00 0.00 H new ATOM 0 HB2 ALA A 60 6.982 1.232 -22.979 1.00 0.00 H new ATOM 0 HB3 ALA A 60 8.651 0.990 -23.548 1.00 0.00 H new ATOM 952 N LEU A 61 10.631 -0.295 -21.656 1.00 0.00 N ATOM 953 CA LEU A 61 11.798 -1.170 -21.664 1.00 0.00 C ATOM 954 C LEU A 61 12.410 -1.274 -20.271 1.00 0.00 C ATOM 955 O LEU A 61 13.632 -1.272 -20.116 1.00 0.00 O ATOM 956 CB LEU A 61 12.842 -0.650 -22.655 1.00 0.00 C ATOM 957 CG LEU A 61 13.298 0.795 -22.452 1.00 0.00 C ATOM 958 CD1 LEU A 61 14.674 0.835 -21.804 1.00 0.00 C ATOM 959 CD2 LEU A 61 13.310 1.541 -23.778 1.00 0.00 C ATOM 0 H LEU A 61 10.849 0.699 -21.723 1.00 0.00 H new ATOM 0 HA LEU A 61 11.475 -2.164 -21.974 1.00 0.00 H new ATOM 0 HB2 LEU A 61 13.718 -1.297 -22.603 1.00 0.00 H new ATOM 0 HB3 LEU A 61 12.436 -0.744 -23.662 1.00 0.00 H new ATOM 0 HG LEU A 61 12.591 1.289 -21.786 1.00 0.00 H new ATOM 0 HD11 LEU A 61 14.982 1.872 -21.667 1.00 0.00 H new ATOM 0 HD12 LEU A 61 14.634 0.338 -20.835 1.00 0.00 H new ATOM 0 HD13 LEU A 61 15.393 0.324 -22.445 1.00 0.00 H new ATOM 0 HD21 LEU A 61 13.637 2.568 -23.615 1.00 0.00 H new ATOM 0 HD22 LEU A 61 13.995 1.047 -24.467 1.00 0.00 H new ATOM 0 HD23 LEU A 61 12.306 1.543 -24.203 1.00 0.00 H new ATOM 971 N LYS A 62 11.554 -1.368 -19.260 1.00 0.00 N ATOM 972 CA LYS A 62 12.008 -1.477 -17.879 1.00 0.00 C ATOM 973 C LYS A 62 10.976 -2.202 -17.022 1.00 0.00 C ATOM 974 O LYS A 62 11.297 -3.172 -16.334 1.00 0.00 O ATOM 975 CB LYS A 62 12.283 -0.088 -17.299 1.00 0.00 C ATOM 976 CG LYS A 62 13.728 0.357 -17.444 1.00 0.00 C ATOM 977 CD LYS A 62 14.022 1.583 -16.596 1.00 0.00 C ATOM 978 CE LYS A 62 14.972 2.536 -17.305 1.00 0.00 C ATOM 979 NZ LYS A 62 16.360 2.432 -16.774 1.00 0.00 N ATOM 0 H LYS A 62 10.540 -1.371 -19.371 1.00 0.00 H new ATOM 0 HA LYS A 62 12.931 -2.056 -17.872 1.00 0.00 H new ATOM 0 HB2 LYS A 62 11.637 0.637 -17.794 1.00 0.00 H new ATOM 0 HB3 LYS A 62 12.015 -0.085 -16.242 1.00 0.00 H new ATOM 0 HG2 LYS A 62 14.391 -0.457 -17.151 1.00 0.00 H new ATOM 0 HG3 LYS A 62 13.938 0.578 -18.490 1.00 0.00 H new ATOM 0 HD2 LYS A 62 13.090 2.100 -16.367 1.00 0.00 H new ATOM 0 HD3 LYS A 62 14.457 1.274 -15.646 1.00 0.00 H new ATOM 0 HE2 LYS A 62 14.974 2.319 -18.373 1.00 0.00 H new ATOM 0 HE3 LYS A 62 14.614 3.559 -17.189 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 16.977 3.097 -17.283 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 16.362 2.664 -15.760 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 16.711 1.462 -16.908 1.00 0.00 H new ATOM 993 N ILE A 63 9.736 -1.727 -17.068 1.00 0.00 N ATOM 994 CA ILE A 63 8.657 -2.332 -16.298 1.00 0.00 C ATOM 995 C ILE A 63 8.372 -3.753 -16.773 1.00 0.00 C ATOM 996 O ILE A 63 7.747 -4.541 -16.065 1.00 0.00 O ATOM 997 CB ILE A 63 7.363 -1.502 -16.394 1.00 0.00 C ATOM 998 CG1 ILE A 63 7.540 -0.157 -15.687 1.00 0.00 C ATOM 999 CG2 ILE A 63 6.195 -2.271 -15.795 1.00 0.00 C ATOM 1000 CD1 ILE A 63 8.196 0.898 -16.551 1.00 0.00 C ATOM 0 H ILE A 63 9.454 -0.925 -17.631 1.00 0.00 H new ATOM 0 HA ILE A 63 8.987 -2.358 -15.259 1.00 0.00 H new ATOM 0 HB ILE A 63 7.148 -1.313 -17.446 1.00 0.00 H new ATOM 0 HG12 ILE A 63 6.564 0.205 -15.363 1.00 0.00 H new ATOM 0 HG13 ILE A 63 8.140 -0.304 -14.789 1.00 0.00 H new ATOM 0 HG21 ILE A 63 5.288 -1.671 -15.870 1.00 0.00 H new ATOM 0 HG22 ILE A 63 6.058 -3.206 -16.338 1.00 0.00 H new ATOM 0 HG23 ILE A 63 6.401 -2.487 -14.747 1.00 0.00 H new ATOM 0 HD11 ILE A 63 8.289 1.825 -15.985 1.00 0.00 H new ATOM 0 HD12 ILE A 63 9.186 0.556 -16.854 1.00 0.00 H new ATOM 0 HD13 ILE A 63 7.586 1.074 -17.437 1.00 0.00 H new ATOM 1012 N ASN A 64 8.837 -4.073 -17.976 1.00 0.00 N ATOM 1013 CA ASN A 64 8.634 -5.400 -18.546 1.00 0.00 C ATOM 1014 C ASN A 64 8.966 -6.486 -17.526 1.00 0.00 C ATOM 1015 O ASN A 64 8.351 -7.553 -17.517 1.00 0.00 O ATOM 1016 CB ASN A 64 9.497 -5.579 -19.797 1.00 0.00 C ATOM 1017 CG ASN A 64 10.949 -5.857 -19.462 1.00 0.00 C ATOM 1018 OD1 ASN A 64 11.510 -6.871 -19.877 1.00 0.00 O ATOM 1019 ND2 ASN A 64 11.566 -4.955 -18.708 1.00 0.00 N ATOM 0 H ASN A 64 9.357 -3.432 -18.575 1.00 0.00 H new ATOM 0 HA ASN A 64 7.584 -5.493 -18.822 1.00 0.00 H new ATOM 0 HB2 ASN A 64 9.101 -6.401 -20.394 1.00 0.00 H new ATOM 0 HB3 ASN A 64 9.434 -4.680 -20.410 1.00 0.00 H new ATOM 0 HD21 ASN A 64 12.544 -5.088 -18.451 1.00 0.00 H new ATOM 0 HD22 ASN A 64 11.062 -4.129 -18.386 1.00 0.00 H new ATOM 1026 N THR A 65 9.942 -6.207 -16.668 1.00 0.00 N ATOM 1027 CA THR A 65 10.356 -7.159 -15.646 1.00 0.00 C ATOM 1028 C THR A 65 10.046 -6.635 -14.248 1.00 0.00 C ATOM 1029 O THR A 65 10.411 -5.512 -13.900 1.00 0.00 O ATOM 1030 CB THR A 65 11.862 -7.468 -15.743 1.00 0.00 C ATOM 1031 OG1 THR A 65 12.619 -6.406 -15.150 1.00 0.00 O ATOM 1032 CG2 THR A 65 12.285 -7.650 -17.193 1.00 0.00 C ATOM 0 H THR A 65 10.461 -5.329 -16.661 1.00 0.00 H new ATOM 0 HA THR A 65 9.792 -8.075 -15.821 1.00 0.00 H new ATOM 0 HB THR A 65 12.055 -8.396 -15.205 1.00 0.00 H new ATOM 0 HG1 THR A 65 13.557 -6.678 -15.069 1.00 0.00 H new ATOM 0 HG21 THR A 65 13.352 -7.867 -17.236 1.00 0.00 H new ATOM 0 HG22 THR A 65 11.728 -8.477 -17.633 1.00 0.00 H new ATOM 0 HG23 THR A 65 12.078 -6.736 -17.750 1.00 0.00 H new ATOM 1040 N VAL A 66 9.369 -7.455 -13.451 1.00 0.00 N ATOM 1041 CA VAL A 66 9.011 -7.075 -12.089 1.00 0.00 C ATOM 1042 C VAL A 66 10.214 -6.513 -11.341 1.00 0.00 C ATOM 1043 O VAL A 66 10.070 -5.658 -10.468 1.00 0.00 O ATOM 1044 CB VAL A 66 8.444 -8.271 -11.303 1.00 0.00 C ATOM 1045 CG1 VAL A 66 8.162 -7.878 -9.861 1.00 0.00 C ATOM 1046 CG2 VAL A 66 7.186 -8.802 -11.975 1.00 0.00 C ATOM 0 H VAL A 66 9.057 -8.387 -13.725 1.00 0.00 H new ATOM 0 HA VAL A 66 8.243 -6.305 -12.167 1.00 0.00 H new ATOM 0 HB VAL A 66 9.190 -9.066 -11.298 1.00 0.00 H new ATOM 0 HG11 VAL A 66 7.762 -8.736 -9.322 1.00 0.00 H new ATOM 0 HG12 VAL A 66 9.086 -7.550 -9.386 1.00 0.00 H new ATOM 0 HG13 VAL A 66 7.435 -7.066 -9.841 1.00 0.00 H new ATOM 0 HG21 VAL A 66 6.799 -9.647 -11.406 1.00 0.00 H new ATOM 0 HG22 VAL A 66 6.433 -8.014 -12.013 1.00 0.00 H new ATOM 0 HG23 VAL A 66 7.424 -9.125 -12.988 1.00 0.00 H new ATOM 1056 N GLN A 67 11.401 -6.999 -11.690 1.00 0.00 N ATOM 1057 CA GLN A 67 12.630 -6.545 -11.050 1.00 0.00 C ATOM 1058 C GLN A 67 12.924 -5.092 -11.406 1.00 0.00 C ATOM 1059 O GLN A 67 13.010 -4.233 -10.528 1.00 0.00 O ATOM 1060 CB GLN A 67 13.805 -7.432 -11.468 1.00 0.00 C ATOM 1061 CG GLN A 67 14.887 -7.546 -10.407 1.00 0.00 C ATOM 1062 CD GLN A 67 15.522 -6.211 -10.074 1.00 0.00 C ATOM 1063 OE1 GLN A 67 16.417 -5.742 -10.779 1.00 0.00 O ATOM 1064 NE2 GLN A 67 15.061 -5.588 -8.995 1.00 0.00 N ATOM 0 H GLN A 67 11.538 -7.707 -12.412 1.00 0.00 H new ATOM 0 HA GLN A 67 12.496 -6.616 -9.971 1.00 0.00 H new ATOM 0 HB2 GLN A 67 13.432 -8.429 -11.703 1.00 0.00 H new ATOM 0 HB3 GLN A 67 14.244 -7.032 -12.382 1.00 0.00 H new ATOM 0 HG2 GLN A 67 14.459 -7.976 -9.502 1.00 0.00 H new ATOM 0 HG3 GLN A 67 15.658 -8.234 -10.753 1.00 0.00 H new ATOM 0 HE21 GLN A 67 14.318 -6.012 -8.439 1.00 0.00 H new ATOM 0 HE22 GLN A 67 15.450 -4.685 -8.722 1.00 0.00 H new ATOM 1073 N ASP A 68 13.077 -4.823 -12.698 1.00 0.00 N ATOM 1074 CA ASP A 68 13.361 -3.473 -13.170 1.00 0.00 C ATOM 1075 C ASP A 68 12.206 -2.530 -12.846 1.00 0.00 C ATOM 1076 O ASP A 68 12.408 -1.336 -12.631 1.00 0.00 O ATOM 1077 CB ASP A 68 13.623 -3.480 -14.677 1.00 0.00 C ATOM 1078 CG ASP A 68 15.043 -3.889 -15.015 1.00 0.00 C ATOM 1079 OD1 ASP A 68 15.509 -4.916 -14.478 1.00 0.00 O ATOM 1080 OD2 ASP A 68 15.687 -3.183 -15.818 1.00 0.00 O ATOM 0 H ASP A 68 13.009 -5.522 -13.437 1.00 0.00 H new ATOM 0 HA ASP A 68 14.254 -3.116 -12.656 1.00 0.00 H new ATOM 0 HB2 ASP A 68 12.926 -4.164 -15.161 1.00 0.00 H new ATOM 0 HB3 ASP A 68 13.428 -2.487 -15.082 1.00 0.00 H new ATOM 1085 N ALA A 69 10.994 -3.076 -12.816 1.00 0.00 N ATOM 1086 CA ALA A 69 9.807 -2.284 -12.519 1.00 0.00 C ATOM 1087 C ALA A 69 9.912 -1.633 -11.144 1.00 0.00 C ATOM 1088 O ALA A 69 9.934 -0.408 -11.027 1.00 0.00 O ATOM 1089 CB ALA A 69 8.560 -3.152 -12.600 1.00 0.00 C ATOM 0 H ALA A 69 10.809 -4.063 -12.994 1.00 0.00 H new ATOM 0 HA ALA A 69 9.734 -1.491 -13.263 1.00 0.00 H new ATOM 0 HB1 ALA A 69 7.681 -2.548 -12.376 1.00 0.00 H new ATOM 0 HB2 ALA A 69 8.469 -3.566 -13.604 1.00 0.00 H new ATOM 0 HB3 ALA A 69 8.635 -3.965 -11.878 1.00 0.00 H new ATOM 1095 N ILE A 70 9.975 -2.460 -10.106 1.00 0.00 N ATOM 1096 CA ILE A 70 10.078 -1.964 -8.739 1.00 0.00 C ATOM 1097 C ILE A 70 11.295 -1.060 -8.573 1.00 0.00 C ATOM 1098 O ILE A 70 11.276 -0.116 -7.782 1.00 0.00 O ATOM 1099 CB ILE A 70 10.169 -3.120 -7.726 1.00 0.00 C ATOM 1100 CG1 ILE A 70 11.386 -3.997 -8.027 1.00 0.00 C ATOM 1101 CG2 ILE A 70 8.893 -3.948 -7.751 1.00 0.00 C ATOM 1102 CD1 ILE A 70 11.515 -5.189 -7.104 1.00 0.00 C ATOM 0 H ILE A 70 9.957 -3.477 -10.186 1.00 0.00 H new ATOM 0 HA ILE A 70 9.172 -1.390 -8.542 1.00 0.00 H new ATOM 0 HB ILE A 70 10.286 -2.700 -6.727 1.00 0.00 H new ATOM 0 HG12 ILE A 70 11.324 -4.350 -9.056 1.00 0.00 H new ATOM 0 HG13 ILE A 70 12.288 -3.390 -7.952 1.00 0.00 H new ATOM 0 HG21 ILE A 70 8.973 -4.761 -7.030 1.00 0.00 H new ATOM 0 HG22 ILE A 70 8.044 -3.316 -7.492 1.00 0.00 H new ATOM 0 HG23 ILE A 70 8.747 -4.361 -8.749 1.00 0.00 H new ATOM 0 HD11 ILE A 70 12.399 -5.765 -7.376 1.00 0.00 H new ATOM 0 HD12 ILE A 70 11.609 -4.843 -6.075 1.00 0.00 H new ATOM 0 HD13 ILE A 70 10.630 -5.818 -7.196 1.00 0.00 H new ATOM 1114 N ASP A 71 12.350 -1.354 -9.323 1.00 0.00 N ATOM 1115 CA ASP A 71 13.576 -0.567 -9.262 1.00 0.00 C ATOM 1116 C ASP A 71 13.400 0.769 -9.977 1.00 0.00 C ATOM 1117 O ASP A 71 14.071 1.750 -9.656 1.00 0.00 O ATOM 1118 CB ASP A 71 14.738 -1.343 -9.882 1.00 0.00 C ATOM 1119 CG ASP A 71 16.089 -0.826 -9.427 1.00 0.00 C ATOM 1120 OD1 ASP A 71 16.532 -1.215 -8.326 1.00 0.00 O ATOM 1121 OD2 ASP A 71 16.703 -0.032 -10.170 1.00 0.00 O ATOM 0 H ASP A 71 12.381 -2.132 -9.981 1.00 0.00 H new ATOM 0 HA ASP A 71 13.800 -0.371 -8.214 1.00 0.00 H new ATOM 0 HB2 ASP A 71 14.648 -2.397 -9.619 1.00 0.00 H new ATOM 0 HB3 ASP A 71 14.675 -1.279 -10.968 1.00 0.00 H new ATOM 1126 N TYR A 72 12.495 0.799 -10.949 1.00 0.00 N ATOM 1127 CA TYR A 72 12.234 2.013 -11.713 1.00 0.00 C ATOM 1128 C TYR A 72 11.400 2.999 -10.900 1.00 0.00 C ATOM 1129 O TYR A 72 11.572 4.213 -11.012 1.00 0.00 O ATOM 1130 CB TYR A 72 11.513 1.674 -13.019 1.00 0.00 C ATOM 1131 CG TYR A 72 10.217 2.429 -13.209 1.00 0.00 C ATOM 1132 CD1 TYR A 72 10.219 3.762 -13.601 1.00 0.00 C ATOM 1133 CD2 TYR A 72 8.991 1.810 -12.996 1.00 0.00 C ATOM 1134 CE1 TYR A 72 9.037 4.457 -13.776 1.00 0.00 C ATOM 1135 CE2 TYR A 72 7.805 2.497 -13.170 1.00 0.00 C ATOM 1136 CZ TYR A 72 7.833 3.820 -13.559 1.00 0.00 C ATOM 1137 OH TYR A 72 6.654 4.507 -13.732 1.00 0.00 O ATOM 0 H TYR A 72 11.930 -0.004 -11.226 1.00 0.00 H new ATOM 0 HA TYR A 72 13.192 2.479 -11.945 1.00 0.00 H new ATOM 0 HB2 TYR A 72 12.176 1.890 -13.857 1.00 0.00 H new ATOM 0 HB3 TYR A 72 11.307 0.604 -13.043 1.00 0.00 H new ATOM 0 HD1 TYR A 72 11.160 4.264 -13.772 1.00 0.00 H new ATOM 0 HD2 TYR A 72 8.965 0.775 -12.689 1.00 0.00 H new ATOM 0 HE1 TYR A 72 9.056 5.493 -14.081 1.00 0.00 H new ATOM 0 HE2 TYR A 72 6.861 2.001 -13.002 1.00 0.00 H new ATOM 0 HH TYR A 72 5.909 3.872 -13.777 1.00 0.00 H new ATOM 1147 N ILE A 73 10.498 2.467 -10.083 1.00 0.00 N ATOM 1148 CA ILE A 73 9.638 3.299 -9.250 1.00 0.00 C ATOM 1149 C ILE A 73 10.381 3.790 -8.012 1.00 0.00 C ATOM 1150 O ILE A 73 10.084 4.860 -7.481 1.00 0.00 O ATOM 1151 CB ILE A 73 8.374 2.538 -8.808 1.00 0.00 C ATOM 1152 CG1 ILE A 73 8.749 1.371 -7.893 1.00 0.00 C ATOM 1153 CG2 ILE A 73 7.605 2.041 -10.022 1.00 0.00 C ATOM 1154 CD1 ILE A 73 7.558 0.720 -7.225 1.00 0.00 C ATOM 0 H ILE A 73 10.343 1.464 -9.980 1.00 0.00 H new ATOM 0 HA ILE A 73 9.343 4.155 -9.857 1.00 0.00 H new ATOM 0 HB ILE A 73 7.733 3.220 -8.250 1.00 0.00 H new ATOM 0 HG12 ILE A 73 9.284 0.621 -8.475 1.00 0.00 H new ATOM 0 HG13 ILE A 73 9.436 1.728 -7.125 1.00 0.00 H new ATOM 0 HG21 ILE A 73 6.714 1.505 -9.694 1.00 0.00 H new ATOM 0 HG22 ILE A 73 7.311 2.890 -10.639 1.00 0.00 H new ATOM 0 HG23 ILE A 73 8.238 1.371 -10.604 1.00 0.00 H new ATOM 0 HD11 ILE A 73 7.899 -0.099 -6.592 1.00 0.00 H new ATOM 0 HD12 ILE A 73 7.035 1.457 -6.615 1.00 0.00 H new ATOM 0 HD13 ILE A 73 6.881 0.332 -7.986 1.00 0.00 H new ATOM 1166 N GLU A 74 11.350 3.001 -7.558 1.00 0.00 N ATOM 1167 CA GLU A 74 12.136 3.356 -6.382 1.00 0.00 C ATOM 1168 C GLU A 74 13.343 4.204 -6.771 1.00 0.00 C ATOM 1169 O GLU A 74 13.917 4.907 -5.939 1.00 0.00 O ATOM 1170 CB GLU A 74 12.600 2.094 -5.651 1.00 0.00 C ATOM 1171 CG GLU A 74 11.458 1.245 -5.118 1.00 0.00 C ATOM 1172 CD GLU A 74 11.464 1.144 -3.605 1.00 0.00 C ATOM 1173 OE1 GLU A 74 11.145 2.154 -2.942 1.00 0.00 O ATOM 1174 OE2 GLU A 74 11.786 0.057 -3.083 1.00 0.00 O ATOM 0 H GLU A 74 11.609 2.112 -7.986 1.00 0.00 H new ATOM 0 HA GLU A 74 11.502 3.941 -5.716 1.00 0.00 H new ATOM 0 HB2 GLU A 74 13.203 1.492 -6.330 1.00 0.00 H new ATOM 0 HB3 GLU A 74 13.246 2.382 -4.821 1.00 0.00 H new ATOM 0 HG2 GLU A 74 10.510 1.671 -5.446 1.00 0.00 H new ATOM 0 HG3 GLU A 74 11.524 0.245 -5.546 1.00 0.00 H new ATOM 1181 N LYS A 75 13.724 4.133 -8.042 1.00 0.00 N ATOM 1182 CA LYS A 75 14.862 4.894 -8.544 1.00 0.00 C ATOM 1183 C LYS A 75 14.459 6.331 -8.860 1.00 0.00 C ATOM 1184 O LYS A 75 15.214 7.268 -8.603 1.00 0.00 O ATOM 1185 CB LYS A 75 15.435 4.227 -9.796 1.00 0.00 C ATOM 1186 CG LYS A 75 16.356 5.130 -10.599 1.00 0.00 C ATOM 1187 CD LYS A 75 15.597 5.884 -11.677 1.00 0.00 C ATOM 1188 CE LYS A 75 16.408 5.991 -12.959 1.00 0.00 C ATOM 1189 NZ LYS A 75 17.310 7.176 -12.948 1.00 0.00 N ATOM 0 H LYS A 75 13.261 3.556 -8.744 1.00 0.00 H new ATOM 0 HA LYS A 75 15.626 4.912 -7.767 1.00 0.00 H new ATOM 0 HB2 LYS A 75 15.983 3.332 -9.502 1.00 0.00 H new ATOM 0 HB3 LYS A 75 14.612 3.902 -10.433 1.00 0.00 H new ATOM 0 HG2 LYS A 75 16.843 5.841 -9.931 1.00 0.00 H new ATOM 0 HG3 LYS A 75 17.144 4.532 -11.058 1.00 0.00 H new ATOM 0 HD2 LYS A 75 14.655 5.376 -11.883 1.00 0.00 H new ATOM 0 HD3 LYS A 75 15.349 6.883 -11.318 1.00 0.00 H new ATOM 0 HE2 LYS A 75 17.000 5.085 -13.091 1.00 0.00 H new ATOM 0 HE3 LYS A 75 15.732 6.057 -13.812 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 17.845 7.213 -13.839 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 16.744 8.042 -12.848 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 17.972 7.101 -12.149 1.00 0.00 H new ATOM 1203 N ASN A 76 13.264 6.497 -9.417 1.00 0.00 N ATOM 1204 CA ASN A 76 12.761 7.821 -9.767 1.00 0.00 C ATOM 1205 C ASN A 76 11.914 8.397 -8.637 1.00 0.00 C ATOM 1206 O ASN A 76 12.242 9.438 -8.071 1.00 0.00 O ATOM 1207 CB ASN A 76 11.936 7.752 -11.054 1.00 0.00 C ATOM 1208 CG ASN A 76 12.558 8.552 -12.182 1.00 0.00 C ATOM 1209 OD1 ASN A 76 12.764 9.760 -12.062 1.00 0.00 O ATOM 1210 ND2 ASN A 76 12.859 7.880 -13.288 1.00 0.00 N ATOM 0 H ASN A 76 12.626 5.732 -9.636 1.00 0.00 H new ATOM 0 HA ASN A 76 13.617 8.477 -9.927 1.00 0.00 H new ATOM 0 HB2 ASN A 76 11.835 6.711 -11.363 1.00 0.00 H new ATOM 0 HB3 ASN A 76 10.931 8.125 -10.859 1.00 0.00 H new ATOM 0 HD21 ASN A 76 13.278 8.365 -14.081 1.00 0.00 H new ATOM 0 HD22 ASN A 76 12.671 6.879 -13.344 1.00 0.00 H new ATOM 1217 N ASN A 77 10.822 7.710 -8.314 1.00 0.00 N ATOM 1218 CA ASN A 77 9.927 8.153 -7.251 1.00 0.00 C ATOM 1219 C ASN A 77 10.462 7.743 -5.883 1.00 0.00 C ATOM 1220 O ASN A 77 10.747 6.570 -5.641 1.00 0.00 O ATOM 1221 CB ASN A 77 8.527 7.572 -7.459 1.00 0.00 C ATOM 1222 CG ASN A 77 7.793 7.350 -6.151 1.00 0.00 C ATOM 1223 OD1 ASN A 77 7.059 8.221 -5.683 1.00 0.00 O ATOM 1224 ND2 ASN A 77 7.988 6.180 -5.554 1.00 0.00 N ATOM 0 H ASN A 77 10.536 6.845 -8.773 1.00 0.00 H new ATOM 0 HA ASN A 77 9.871 9.241 -7.288 1.00 0.00 H new ATOM 0 HB2 ASN A 77 7.946 8.247 -8.088 1.00 0.00 H new ATOM 0 HB3 ASN A 77 8.605 6.625 -7.994 1.00 0.00 H new ATOM 0 HD21 ASN A 77 7.521 5.974 -4.671 1.00 0.00 H new ATOM 0 HD22 ASN A 77 8.605 5.488 -5.978 1.00 0.00 H new ATOM 1231 N LYS A 78 10.597 8.717 -4.990 1.00 0.00 N ATOM 1232 CA LYS A 78 11.096 8.459 -3.644 1.00 0.00 C ATOM 1233 C LYS A 78 10.168 9.062 -2.595 1.00 0.00 C ATOM 1234 O LYS A 78 10.599 9.399 -1.492 1.00 0.00 O ATOM 1235 CB LYS A 78 12.506 9.032 -3.482 1.00 0.00 C ATOM 1236 CG LYS A 78 12.655 10.443 -4.025 1.00 0.00 C ATOM 1237 CD LYS A 78 13.939 11.094 -3.539 1.00 0.00 C ATOM 1238 CE LYS A 78 14.013 12.556 -3.951 1.00 0.00 C ATOM 1239 NZ LYS A 78 14.913 13.339 -3.059 1.00 0.00 N ATOM 0 H LYS A 78 10.368 9.694 -5.174 1.00 0.00 H new ATOM 0 HA LYS A 78 11.130 7.380 -3.497 1.00 0.00 H new ATOM 0 HB2 LYS A 78 12.771 9.029 -2.425 1.00 0.00 H new ATOM 0 HB3 LYS A 78 13.215 8.379 -3.991 1.00 0.00 H new ATOM 0 HG2 LYS A 78 12.649 10.417 -5.115 1.00 0.00 H new ATOM 0 HG3 LYS A 78 11.801 11.045 -3.716 1.00 0.00 H new ATOM 0 HD2 LYS A 78 13.999 11.017 -2.453 1.00 0.00 H new ATOM 0 HD3 LYS A 78 14.797 10.557 -3.944 1.00 0.00 H new ATOM 0 HE2 LYS A 78 14.370 12.626 -4.979 1.00 0.00 H new ATOM 0 HE3 LYS A 78 13.013 12.990 -3.930 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 14.936 14.330 -3.373 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 14.559 13.293 -2.082 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 15.873 12.941 -3.098 1.00 0.00 H new ATOM 1253 N GLN A 79 8.892 9.192 -2.944 1.00 0.00 N ATOM 1254 CA GLN A 79 7.904 9.753 -2.031 1.00 0.00 C ATOM 1255 C GLN A 79 7.925 9.025 -0.691 1.00 0.00 C ATOM 1256 O GLN A 79 8.572 9.470 0.258 1.00 0.00 O ATOM 1257 CB GLN A 79 6.505 9.672 -2.646 1.00 0.00 C ATOM 1258 CG GLN A 79 6.128 10.897 -3.463 1.00 0.00 C ATOM 1259 CD GLN A 79 4.833 10.711 -4.230 1.00 0.00 C ATOM 1260 OE1 GLN A 79 3.822 11.345 -3.926 1.00 0.00 O ATOM 1261 NE2 GLN A 79 4.857 9.838 -5.230 1.00 0.00 N ATOM 0 H GLN A 79 8.519 8.916 -3.852 1.00 0.00 H new ATOM 0 HA GLN A 79 8.158 10.799 -1.860 1.00 0.00 H new ATOM 0 HB2 GLN A 79 6.448 8.789 -3.283 1.00 0.00 H new ATOM 0 HB3 GLN A 79 5.774 9.538 -1.849 1.00 0.00 H new ATOM 0 HG2 GLN A 79 6.033 11.756 -2.799 1.00 0.00 H new ATOM 0 HG3 GLN A 79 6.932 11.123 -4.164 1.00 0.00 H new ATOM 0 HE21 GLN A 79 5.717 9.335 -5.447 1.00 0.00 H new ATOM 0 HE22 GLN A 79 4.015 9.671 -5.781 1.00 0.00 H new TER 1270 GLN A 79 HETATM 1271 P24 PNS A 137 2.797 -3.360 -31.578 1.00 0.00 P HETATM 1272 O25 PNS A 137 2.133 -2.171 -32.444 1.00 0.00 O HETATM 1273 O26 PNS A 137 4.214 -3.599 -31.930 1.00 0.00 O HETATM 1274 O27 PNS A 137 1.846 -4.641 -31.800 1.00 0.00 O HETATM 1275 C28 PNS A 137 2.338 -5.981 -31.683 1.00 0.00 C HETATM 1276 C29 PNS A 137 1.226 -7.050 -31.651 1.00 0.00 C HETATM 1277 C30 PNS A 137 0.307 -6.851 -32.872 1.00 0.00 C HETATM 1278 C31 PNS A 137 0.411 -6.840 -30.357 1.00 0.00 C HETATM 1279 C32 PNS A 137 1.916 -8.435 -31.648 1.00 0.00 C HETATM 1280 O33 PNS A 137 2.654 -8.644 -32.858 1.00 0.00 O HETATM 1281 C34 PNS A 137 0.984 -9.660 -31.465 1.00 0.00 C HETATM 1282 O35 PNS A 137 -0.212 -9.617 -31.764 1.00 0.00 O HETATM 1283 N36 PNS A 137 1.500 -10.799 -30.984 1.00 0.00 N HETATM 1284 C37 PNS A 137 2.911 -11.036 -30.620 1.00 0.00 C HETATM 1285 C38 PNS A 137 3.137 -12.544 -30.475 1.00 0.00 C HETATM 1286 C39 PNS A 137 4.639 -12.880 -30.354 1.00 0.00 C HETATM 1287 O40 PNS A 137 5.354 -12.754 -31.348 1.00 0.00 O HETATM 1288 N41 PNS A 137 5.130 -13.292 -29.177 1.00 0.00 N HETATM 1289 C42 PNS A 137 4.388 -13.497 -27.916 1.00 0.00 C HETATM 1290 C43 PNS A 137 5.352 -13.913 -26.805 1.00 0.00 C HETATM 1291 S44 PNS A 137 6.191 -15.513 -27.117 1.00 0.00 S HETATM 0 H432 PNS A 137 6.106 -13.136 -26.681 1.00 0.00 H new HETATM 0 H431 PNS A 137 4.803 -13.978 -25.865 1.00 0.00 H new HETATM 0 H422 PNS A 137 3.626 -14.264 -28.053 1.00 0.00 H new HETATM 0 H421 PNS A 137 3.871 -12.580 -27.635 1.00 0.00 H new HETATM 0 H382 PNS A 137 2.715 -13.061 -31.337 1.00 0.00 H new HETATM 0 H381 PNS A 137 2.609 -12.909 -29.594 1.00 0.00 H new HETATM 0 H372 PNS A 137 3.150 -10.527 -29.686 1.00 0.00 H new HETATM 0 H371 PNS A 137 3.572 -10.627 -31.384 1.00 0.00 H new HETATM 0 H313 PNS A 137 -0.385 -7.582 -30.304 1.00 0.00 H new HETATM 0 H312 PNS A 137 -0.024 -5.841 -30.359 1.00 0.00 H new HETATM 0 H311 PNS A 137 1.066 -6.949 -29.493 1.00 0.00 H new HETATM 0 H303 PNS A 137 -0.483 -7.602 -32.859 1.00 0.00 H new HETATM 0 H302 PNS A 137 0.890 -6.954 -33.787 1.00 0.00 H new HETATM 0 H301 PNS A 137 -0.137 -5.856 -32.835 1.00 0.00 H new HETATM 0 H282 PNS A 137 2.934 -6.062 -30.774 1.00 0.00 H new HETATM 0 H281 PNS A 137 3.005 -6.188 -32.520 1.00 0.00 H new HETATM 0 H44 PNS A 137 6.989 -15.785 -26.127 1.00 0.00 H new HETATM 0 H41 PNS A 137 6.131 -13.486 -29.149 1.00 0.00 H new HETATM 0 H36 PNS A 137 0.855 -11.579 -30.857 1.00 0.00 H new HETATM 0 H33 PNS A 137 2.137 -9.218 -33.461 1.00 0.00 H new HETATM 0 H32 PNS A 137 2.558 -8.385 -30.769 1.00 0.00 H new