USER MOD reduce.3.24.130724 H: found=0, std=0, add=725, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 723 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 49 GLN : amide:sc= 0.312 K(o=0.31,f=-1.3) USER MOD Set 1.2: A 61 CYS SG : rot 160:sc= 0 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 30:sc= 0.517 USER MOD Single : A 3 SER OG : rot 180:sc= -0.137 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 MET CE :methyl -137:sc= -0.37 (180deg=-1.69) USER MOD Single : A 12 GLN : amide:sc= -0.497 X(o=-0.5,f=-0.37) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0107) USER MOD Single : A 16 LYS NZ :NH3+ -172:sc= -1.32 (180deg=-1.5) USER MOD Single : A 19 TYR OH : rot 133:sc= -0.268 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 29 ASN : amide:sc= -0.0905 K(o=-0.091,f=-2!) USER MOD Single : A 30 MET CE :methyl -131:sc= -1.47 (180deg=-3.65!) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 GLN : amide:sc= 0 X(o=0,f=-0.0091) USER MOD Single : A 36 LYS NZ :NH3+ 172:sc= -1.78 (180deg=-1.87!) USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 HIS : no HD1:sc= -2.59! C(o=-2.6!,f=-5.7!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 SER OG : rot 12:sc= 1.12 USER MOD Single : A 57 THR OG1 : rot 180:sc=-0.00787 USER MOD Single : A 58 MET CE :methyl -134:sc= -0.58 (180deg=-2.54!) USER MOD Single : A 62 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 63 GLN : amide:sc= -0.216 X(o=-0.22,f=-0.61) USER MOD Single : A 64 LYS NZ :NH3+ 155:sc= -0.302 (180deg=-1.57!) USER MOD Single : A 70 GLN : amide:sc= 0 K(o=0,f=-0.82) USER MOD Single : A 73 LYS NZ :NH3+ -131:sc= 0 (180deg=-0.379) USER MOD Single : A 77 ASN : amide:sc= -0.687 K(o=-0.69,f=-3.4!) USER MOD Single : A 80 THR OG1 : rot 67:sc= -1.48 USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 LYS NZ :NH3+ -138:sc= 0 (180deg=-0.0129) USER MOD Single : A 84 TYR OH : rot 28:sc= 0.0809 USER MOD Single : A 87 GLN : amide:sc= -1.94 K(o=-1.9,f=-4.1!) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 15.837 27.155 16.525 1.00 0.00 N ATOM 2 CA GLY A 1 16.218 26.262 15.447 1.00 0.00 C ATOM 3 C GLY A 1 15.254 26.319 14.278 1.00 0.00 C ATOM 4 O GLY A 1 14.046 26.166 14.454 1.00 0.00 O ATOM 0 H1 GLY A 1 16.527 27.079 17.299 1.00 0.00 H new ATOM 0 H2 GLY A 1 15.817 28.134 16.174 1.00 0.00 H new ATOM 0 H3 GLY A 1 14.893 26.893 16.875 1.00 0.00 H new ATOM 0 HA2 GLY A 1 17.219 26.521 15.101 1.00 0.00 H new ATOM 0 HA3 GLY A 1 16.266 25.241 15.825 1.00 0.00 H new ATOM 8 N SER A 2 15.789 26.543 13.082 1.00 0.00 N ATOM 9 CA SER A 2 14.967 26.626 11.881 1.00 0.00 C ATOM 10 C SER A 2 15.237 25.444 10.955 1.00 0.00 C ATOM 11 O SER A 2 16.353 25.265 10.467 1.00 0.00 O ATOM 12 CB SER A 2 15.237 27.938 11.142 1.00 0.00 C ATOM 13 OG SER A 2 16.594 28.031 10.746 1.00 0.00 O ATOM 0 H SER A 2 16.788 26.670 12.919 1.00 0.00 H new ATOM 0 HA SER A 2 13.921 26.596 12.185 1.00 0.00 H new ATOM 0 HB2 SER A 2 14.594 28.004 10.265 1.00 0.00 H new ATOM 0 HB3 SER A 2 14.984 28.780 11.786 1.00 0.00 H new ATOM 0 HG SER A 2 16.948 27.133 10.578 1.00 0.00 H new ATOM 19 N SER A 3 14.207 24.638 10.717 1.00 0.00 N ATOM 20 CA SER A 3 14.332 23.471 9.853 1.00 0.00 C ATOM 21 C SER A 3 14.462 23.888 8.391 1.00 0.00 C ATOM 22 O SER A 3 15.422 23.524 7.714 1.00 0.00 O ATOM 23 CB SER A 3 13.123 22.549 10.027 1.00 0.00 C ATOM 24 OG SER A 3 11.915 23.236 9.754 1.00 0.00 O ATOM 0 H SER A 3 13.276 24.772 11.111 1.00 0.00 H new ATOM 0 HA SER A 3 15.235 22.932 10.140 1.00 0.00 H new ATOM 0 HB2 SER A 3 13.216 21.692 9.360 1.00 0.00 H new ATOM 0 HB3 SER A 3 13.102 22.160 11.045 1.00 0.00 H new ATOM 0 HG SER A 3 11.158 22.625 9.870 1.00 0.00 H new ATOM 30 N GLY A 4 13.487 24.654 7.912 1.00 0.00 N ATOM 31 CA GLY A 4 13.510 25.108 6.534 1.00 0.00 C ATOM 32 C GLY A 4 12.228 24.781 5.794 1.00 0.00 C ATOM 33 O GLY A 4 11.331 24.144 6.346 1.00 0.00 O ATOM 0 H GLY A 4 12.682 24.968 8.453 1.00 0.00 H new ATOM 0 HA2 GLY A 4 13.674 26.185 6.512 1.00 0.00 H new ATOM 0 HA3 GLY A 4 14.352 24.647 6.017 1.00 0.00 H new ATOM 37 N SER A 5 12.141 25.219 4.542 1.00 0.00 N ATOM 38 CA SER A 5 10.957 24.973 3.727 1.00 0.00 C ATOM 39 C SER A 5 10.893 23.514 3.288 1.00 0.00 C ATOM 40 O SER A 5 11.896 22.800 3.318 1.00 0.00 O ATOM 41 CB SER A 5 10.958 25.887 2.500 1.00 0.00 C ATOM 42 OG SER A 5 9.662 25.985 1.936 1.00 0.00 O ATOM 0 H SER A 5 12.876 25.746 4.070 1.00 0.00 H new ATOM 0 HA SER A 5 10.078 25.191 4.333 1.00 0.00 H new ATOM 0 HB2 SER A 5 11.311 26.879 2.782 1.00 0.00 H new ATOM 0 HB3 SER A 5 11.654 25.500 1.755 1.00 0.00 H new ATOM 0 HG SER A 5 9.689 26.576 1.155 1.00 0.00 H new ATOM 48 N SER A 6 9.705 23.076 2.882 1.00 0.00 N ATOM 49 CA SER A 6 9.508 21.701 2.440 1.00 0.00 C ATOM 50 C SER A 6 8.166 21.546 1.731 1.00 0.00 C ATOM 51 O SER A 6 7.228 22.303 1.979 1.00 0.00 O ATOM 52 CB SER A 6 9.581 20.745 3.632 1.00 0.00 C ATOM 53 OG SER A 6 9.685 19.399 3.200 1.00 0.00 O ATOM 0 H SER A 6 8.865 23.654 2.850 1.00 0.00 H new ATOM 0 HA SER A 6 10.302 21.454 1.736 1.00 0.00 H new ATOM 0 HB2 SER A 6 10.440 20.998 4.253 1.00 0.00 H new ATOM 0 HB3 SER A 6 8.693 20.864 4.252 1.00 0.00 H new ATOM 0 HG SER A 6 9.732 18.808 3.980 1.00 0.00 H new ATOM 59 N GLY A 7 8.082 20.557 0.846 1.00 0.00 N ATOM 60 CA GLY A 7 6.852 20.319 0.113 1.00 0.00 C ATOM 61 C GLY A 7 5.840 19.528 0.920 1.00 0.00 C ATOM 62 O GLY A 7 5.724 19.711 2.131 1.00 0.00 O ATOM 0 H GLY A 7 8.844 19.916 0.624 1.00 0.00 H new ATOM 0 HA2 GLY A 7 6.414 21.274 -0.177 1.00 0.00 H new ATOM 0 HA3 GLY A 7 7.079 19.781 -0.807 1.00 0.00 H new ATOM 66 N MET A 8 5.106 18.649 0.246 1.00 0.00 N ATOM 67 CA MET A 8 4.099 17.828 0.908 1.00 0.00 C ATOM 68 C MET A 8 3.672 16.667 0.016 1.00 0.00 C ATOM 69 O MET A 8 3.314 16.863 -1.145 1.00 0.00 O ATOM 70 CB MET A 8 2.882 18.677 1.279 1.00 0.00 C ATOM 71 CG MET A 8 2.093 18.127 2.457 1.00 0.00 C ATOM 72 SD MET A 8 3.057 18.088 3.980 1.00 0.00 S ATOM 73 CE MET A 8 3.463 16.346 4.079 1.00 0.00 C ATOM 0 H MET A 8 5.190 18.487 -0.758 1.00 0.00 H new ATOM 0 HA MET A 8 4.539 17.420 1.818 1.00 0.00 H new ATOM 0 HB2 MET A 8 3.213 19.688 1.515 1.00 0.00 H new ATOM 0 HB3 MET A 8 2.223 18.751 0.414 1.00 0.00 H new ATOM 0 HG2 MET A 8 1.203 18.738 2.610 1.00 0.00 H new ATOM 0 HG3 MET A 8 1.751 17.119 2.222 1.00 0.00 H new ATOM 0 HE1 MET A 8 3.336 16.001 5.105 1.00 0.00 H new ATOM 0 HE2 MET A 8 2.802 15.781 3.422 1.00 0.00 H new ATOM 0 HE3 MET A 8 4.498 16.195 3.771 1.00 0.00 H new ATOM 83 N ALA A 9 3.711 15.458 0.567 1.00 0.00 N ATOM 84 CA ALA A 9 3.326 14.266 -0.179 1.00 0.00 C ATOM 85 C ALA A 9 2.051 13.652 0.388 1.00 0.00 C ATOM 86 O ALA A 9 1.687 13.903 1.538 1.00 0.00 O ATOM 87 CB ALA A 9 4.457 13.248 -0.166 1.00 0.00 C ATOM 0 H ALA A 9 4.005 15.278 1.527 1.00 0.00 H new ATOM 0 HA ALA A 9 3.128 14.560 -1.210 1.00 0.00 H new ATOM 0 HB1 ALA A 9 4.156 12.363 -0.727 1.00 0.00 H new ATOM 0 HB2 ALA A 9 5.344 13.684 -0.625 1.00 0.00 H new ATOM 0 HB3 ALA A 9 4.682 12.967 0.863 1.00 0.00 H new ATOM 93 N LEU A 10 1.376 12.846 -0.424 1.00 0.00 N ATOM 94 CA LEU A 10 0.140 12.196 -0.003 1.00 0.00 C ATOM 95 C LEU A 10 0.348 10.695 0.176 1.00 0.00 C ATOM 96 O LEU A 10 -0.170 10.095 1.117 1.00 0.00 O ATOM 97 CB LEU A 10 -0.968 12.450 -1.026 1.00 0.00 C ATOM 98 CG LEU A 10 -0.696 11.953 -2.447 1.00 0.00 C ATOM 99 CD1 LEU A 10 -1.999 11.792 -3.214 1.00 0.00 C ATOM 100 CD2 LEU A 10 0.239 12.907 -3.176 1.00 0.00 C ATOM 0 H LEU A 10 1.664 12.627 -1.378 1.00 0.00 H new ATOM 0 HA LEU A 10 -0.156 12.621 0.956 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -1.882 11.978 -0.666 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -1.158 13.523 -1.068 1.00 0.00 H new ATOM 0 HG LEU A 10 -0.212 10.978 -2.384 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -1.786 11.438 -4.223 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -2.635 11.070 -2.703 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -2.511 12.753 -3.267 1.00 0.00 H new ATOM 0 HD21 LEU A 10 0.421 12.538 -4.185 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -0.218 13.895 -3.228 1.00 0.00 H new ATOM 0 HD23 LEU A 10 1.184 12.973 -2.637 1.00 0.00 H new ATOM 112 N GLU A 11 1.112 10.096 -0.733 1.00 0.00 N ATOM 113 CA GLU A 11 1.389 8.666 -0.674 1.00 0.00 C ATOM 114 C GLU A 11 2.703 8.337 -1.377 1.00 0.00 C ATOM 115 O GLU A 11 2.849 8.564 -2.578 1.00 0.00 O ATOM 116 CB GLU A 11 0.245 7.875 -1.312 1.00 0.00 C ATOM 117 CG GLU A 11 -1.015 7.837 -0.464 1.00 0.00 C ATOM 118 CD GLU A 11 -0.772 7.260 0.917 1.00 0.00 C ATOM 119 OE1 GLU A 11 -0.217 6.145 1.004 1.00 0.00 O ATOM 120 OE2 GLU A 11 -1.138 7.923 1.911 1.00 0.00 O ATOM 0 H GLU A 11 1.549 10.579 -1.518 1.00 0.00 H new ATOM 0 HA GLU A 11 1.477 8.382 0.375 1.00 0.00 H new ATOM 0 HB2 GLU A 11 0.008 8.313 -2.281 1.00 0.00 H new ATOM 0 HB3 GLU A 11 0.579 6.854 -1.497 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -1.413 8.847 -0.367 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -1.774 7.243 -0.974 1.00 0.00 H new ATOM 127 N GLN A 12 3.655 7.802 -0.619 1.00 0.00 N ATOM 128 CA GLN A 12 4.957 7.443 -1.169 1.00 0.00 C ATOM 129 C GLN A 12 5.406 6.078 -0.658 1.00 0.00 C ATOM 130 O GLN A 12 4.899 5.582 0.349 1.00 0.00 O ATOM 131 CB GLN A 12 5.997 8.504 -0.807 1.00 0.00 C ATOM 132 CG GLN A 12 6.000 9.699 -1.747 1.00 0.00 C ATOM 133 CD GLN A 12 6.456 9.339 -3.147 1.00 0.00 C ATOM 134 OE1 GLN A 12 7.638 9.445 -3.474 1.00 0.00 O ATOM 135 NE2 GLN A 12 5.518 8.910 -3.984 1.00 0.00 N ATOM 0 H GLN A 12 3.549 7.608 0.377 1.00 0.00 H new ATOM 0 HA GLN A 12 4.864 7.392 -2.254 1.00 0.00 H new ATOM 0 HB2 GLN A 12 5.810 8.852 0.209 1.00 0.00 H new ATOM 0 HB3 GLN A 12 6.987 8.047 -0.811 1.00 0.00 H new ATOM 0 HG2 GLN A 12 4.997 10.122 -1.793 1.00 0.00 H new ATOM 0 HG3 GLN A 12 6.654 10.472 -1.344 1.00 0.00 H new ATOM 0 HE21 GLN A 12 4.550 8.837 -3.671 1.00 0.00 H new ATOM 0 HE22 GLN A 12 5.766 8.653 -4.940 1.00 0.00 H new ATOM 144 N THR A 13 6.361 5.475 -1.359 1.00 0.00 N ATOM 145 CA THR A 13 6.878 4.166 -0.977 1.00 0.00 C ATOM 146 C THR A 13 7.770 4.266 0.255 1.00 0.00 C ATOM 147 O THR A 13 7.821 3.346 1.073 1.00 0.00 O ATOM 148 CB THR A 13 7.678 3.522 -2.125 1.00 0.00 C ATOM 149 OG1 THR A 13 7.750 2.104 -1.936 1.00 0.00 O ATOM 150 CG2 THR A 13 9.083 4.100 -2.197 1.00 0.00 C ATOM 0 H THR A 13 6.792 5.872 -2.194 1.00 0.00 H new ATOM 0 HA THR A 13 6.016 3.539 -0.748 1.00 0.00 H new ATOM 0 HB THR A 13 7.165 3.739 -3.062 1.00 0.00 H new ATOM 0 HG1 THR A 13 8.259 1.702 -2.670 1.00 0.00 H new ATOM 0 HG21 THR A 13 9.628 3.630 -3.015 1.00 0.00 H new ATOM 0 HG22 THR A 13 9.026 5.175 -2.369 1.00 0.00 H new ATOM 0 HG23 THR A 13 9.603 3.910 -1.258 1.00 0.00 H new ATOM 158 N LEU A 14 8.471 5.387 0.384 1.00 0.00 N ATOM 159 CA LEU A 14 9.361 5.607 1.518 1.00 0.00 C ATOM 160 C LEU A 14 8.609 6.233 2.688 1.00 0.00 C ATOM 161 O LEU A 14 8.733 5.789 3.829 1.00 0.00 O ATOM 162 CB LEU A 14 10.529 6.506 1.108 1.00 0.00 C ATOM 163 CG LEU A 14 11.406 5.989 -0.033 1.00 0.00 C ATOM 164 CD1 LEU A 14 12.139 7.140 -0.705 1.00 0.00 C ATOM 165 CD2 LEU A 14 12.393 4.952 0.480 1.00 0.00 C ATOM 0 H LEU A 14 8.440 6.158 -0.283 1.00 0.00 H new ATOM 0 HA LEU A 14 9.749 4.639 1.836 1.00 0.00 H new ATOM 0 HB2 LEU A 14 10.129 7.478 0.820 1.00 0.00 H new ATOM 0 HB3 LEU A 14 11.161 6.667 1.981 1.00 0.00 H new ATOM 0 HG LEU A 14 10.763 5.513 -0.773 1.00 0.00 H new ATOM 0 HD11 LEU A 14 12.758 6.754 -1.515 1.00 0.00 H new ATOM 0 HD12 LEU A 14 11.414 7.847 -1.108 1.00 0.00 H new ATOM 0 HD13 LEU A 14 12.771 7.645 0.026 1.00 0.00 H new ATOM 0 HD21 LEU A 14 13.008 4.596 -0.346 1.00 0.00 H new ATOM 0 HD22 LEU A 14 13.031 5.402 1.240 1.00 0.00 H new ATOM 0 HD23 LEU A 14 11.848 4.114 0.914 1.00 0.00 H new ATOM 177 N LYS A 15 7.826 7.266 2.395 1.00 0.00 N ATOM 178 CA LYS A 15 7.049 7.952 3.421 1.00 0.00 C ATOM 179 C LYS A 15 6.158 6.971 4.176 1.00 0.00 C ATOM 180 O LYS A 15 5.832 7.184 5.344 1.00 0.00 O ATOM 181 CB LYS A 15 6.194 9.054 2.790 1.00 0.00 C ATOM 182 CG LYS A 15 5.625 10.035 3.801 1.00 0.00 C ATOM 183 CD LYS A 15 4.894 11.178 3.116 1.00 0.00 C ATOM 184 CE LYS A 15 4.791 12.395 4.023 1.00 0.00 C ATOM 185 NZ LYS A 15 6.072 13.151 4.085 1.00 0.00 N ATOM 0 H LYS A 15 7.713 7.647 1.455 1.00 0.00 H new ATOM 0 HA LYS A 15 7.745 8.401 4.129 1.00 0.00 H new ATOM 0 HB2 LYS A 15 6.797 9.601 2.065 1.00 0.00 H new ATOM 0 HB3 LYS A 15 5.373 8.595 2.239 1.00 0.00 H new ATOM 0 HG2 LYS A 15 4.941 9.514 4.471 1.00 0.00 H new ATOM 0 HG3 LYS A 15 6.431 10.434 4.416 1.00 0.00 H new ATOM 0 HD2 LYS A 15 5.418 11.449 2.199 1.00 0.00 H new ATOM 0 HD3 LYS A 15 3.895 10.852 2.828 1.00 0.00 H new ATOM 0 HE2 LYS A 15 3.999 13.051 3.662 1.00 0.00 H new ATOM 0 HE3 LYS A 15 4.508 12.077 5.026 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 5.929 14.034 4.615 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 6.793 12.574 4.563 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 6.390 13.374 3.120 1.00 0.00 H new ATOM 199 N LYS A 16 5.767 5.895 3.502 1.00 0.00 N ATOM 200 CA LYS A 16 4.915 4.879 4.109 1.00 0.00 C ATOM 201 C LYS A 16 5.742 3.899 4.935 1.00 0.00 C ATOM 202 O LYS A 16 6.926 3.693 4.669 1.00 0.00 O ATOM 203 CB LYS A 16 4.139 4.123 3.028 1.00 0.00 C ATOM 204 CG LYS A 16 2.932 3.369 3.561 1.00 0.00 C ATOM 205 CD LYS A 16 1.905 3.119 2.470 1.00 0.00 C ATOM 206 CE LYS A 16 0.495 3.050 3.036 1.00 0.00 C ATOM 207 NZ LYS A 16 0.354 1.960 4.041 1.00 0.00 N ATOM 0 H LYS A 16 6.027 5.704 2.534 1.00 0.00 H new ATOM 0 HA LYS A 16 4.209 5.380 4.771 1.00 0.00 H new ATOM 0 HB2 LYS A 16 3.808 4.831 2.268 1.00 0.00 H new ATOM 0 HB3 LYS A 16 4.810 3.418 2.537 1.00 0.00 H new ATOM 0 HG2 LYS A 16 3.254 2.417 3.984 1.00 0.00 H new ATOM 0 HG3 LYS A 16 2.474 3.939 4.370 1.00 0.00 H new ATOM 0 HD2 LYS A 16 1.961 3.914 1.727 1.00 0.00 H new ATOM 0 HD3 LYS A 16 2.138 2.186 1.957 1.00 0.00 H new ATOM 0 HE2 LYS A 16 0.242 4.004 3.497 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -0.215 2.890 2.224 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -0.647 1.856 4.303 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 0.700 1.067 3.635 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 0.911 2.194 4.888 1.00 0.00 H new ATOM 221 N ASP A 17 5.110 3.296 5.936 1.00 0.00 N ATOM 222 CA ASP A 17 5.787 2.336 6.800 1.00 0.00 C ATOM 223 C ASP A 17 5.376 0.909 6.452 1.00 0.00 C ATOM 224 O ASP A 17 4.188 0.601 6.352 1.00 0.00 O ATOM 225 CB ASP A 17 5.472 2.627 8.268 1.00 0.00 C ATOM 226 CG ASP A 17 6.287 3.781 8.817 1.00 0.00 C ATOM 227 OD1 ASP A 17 7.520 3.630 8.942 1.00 0.00 O ATOM 228 OD2 ASP A 17 5.692 4.836 9.123 1.00 0.00 O ATOM 0 H ASP A 17 4.130 3.455 6.169 1.00 0.00 H new ATOM 0 HA ASP A 17 6.861 2.435 6.641 1.00 0.00 H new ATOM 0 HB2 ASP A 17 4.411 2.854 8.371 1.00 0.00 H new ATOM 0 HB3 ASP A 17 5.666 1.734 8.862 1.00 0.00 H new ATOM 233 N TRP A 18 6.366 0.042 6.268 1.00 0.00 N ATOM 234 CA TRP A 18 6.107 -1.353 5.930 1.00 0.00 C ATOM 235 C TRP A 18 6.236 -2.244 7.160 1.00 0.00 C ATOM 236 O TRP A 18 5.474 -3.195 7.333 1.00 0.00 O ATOM 237 CB TRP A 18 7.072 -1.823 4.840 1.00 0.00 C ATOM 238 CG TRP A 18 7.198 -0.856 3.702 1.00 0.00 C ATOM 239 CD1 TRP A 18 8.312 -0.151 3.346 1.00 0.00 C ATOM 240 CD2 TRP A 18 6.173 -0.487 2.773 1.00 0.00 C ATOM 241 NE1 TRP A 18 8.041 0.634 2.251 1.00 0.00 N ATOM 242 CE2 TRP A 18 6.736 0.445 1.880 1.00 0.00 C ATOM 243 CE3 TRP A 18 4.835 -0.855 2.607 1.00 0.00 C ATOM 244 CZ2 TRP A 18 6.006 1.014 0.839 1.00 0.00 C ATOM 245 CZ3 TRP A 18 4.112 -0.290 1.574 1.00 0.00 C ATOM 246 CH2 TRP A 18 4.698 0.635 0.701 1.00 0.00 C ATOM 0 H TRP A 18 7.355 0.280 6.347 1.00 0.00 H new ATOM 0 HA TRP A 18 5.086 -1.427 5.557 1.00 0.00 H new ATOM 0 HB2 TRP A 18 8.056 -1.985 5.281 1.00 0.00 H new ATOM 0 HB3 TRP A 18 6.733 -2.785 4.455 1.00 0.00 H new ATOM 0 HD1 TRP A 18 9.265 -0.203 3.851 1.00 0.00 H new ATOM 0 HE1 TRP A 18 8.704 1.256 1.789 1.00 0.00 H new ATOM 0 HE3 TRP A 18 4.374 -1.568 3.274 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 6.456 1.728 0.165 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 3.077 -0.567 1.437 1.00 0.00 H new ATOM 0 HH2 TRP A 18 4.106 1.058 -0.097 1.00 0.00 H new ATOM 257 N TYR A 19 7.206 -1.931 8.012 1.00 0.00 N ATOM 258 CA TYR A 19 7.437 -2.706 9.226 1.00 0.00 C ATOM 259 C TYR A 19 6.204 -2.691 10.124 1.00 0.00 C ATOM 260 O TYR A 19 6.100 -3.473 11.069 1.00 0.00 O ATOM 261 CB TYR A 19 8.643 -2.153 9.987 1.00 0.00 C ATOM 262 CG TYR A 19 9.971 -2.511 9.359 1.00 0.00 C ATOM 263 CD1 TYR A 19 10.342 -3.837 9.178 1.00 0.00 C ATOM 264 CD2 TYR A 19 10.854 -1.521 8.945 1.00 0.00 C ATOM 265 CE1 TYR A 19 11.555 -4.168 8.606 1.00 0.00 C ATOM 266 CE2 TYR A 19 12.068 -1.842 8.369 1.00 0.00 C ATOM 267 CZ TYR A 19 12.414 -3.167 8.202 1.00 0.00 C ATOM 268 OH TYR A 19 13.623 -3.492 7.630 1.00 0.00 O ATOM 0 H TYR A 19 7.845 -1.146 7.885 1.00 0.00 H new ATOM 0 HA TYR A 19 7.640 -3.737 8.936 1.00 0.00 H new ATOM 0 HB2 TYR A 19 8.559 -1.068 10.045 1.00 0.00 H new ATOM 0 HB3 TYR A 19 8.621 -2.530 11.010 1.00 0.00 H new ATOM 0 HD1 TYR A 19 9.670 -4.623 9.490 1.00 0.00 H new ATOM 0 HD2 TYR A 19 10.587 -0.483 9.076 1.00 0.00 H new ATOM 0 HE1 TYR A 19 11.829 -5.204 8.476 1.00 0.00 H new ATOM 0 HE2 TYR A 19 12.742 -1.060 8.051 1.00 0.00 H new ATOM 0 HH TYR A 19 13.760 -2.951 6.825 1.00 0.00 H new ATOM 278 N SER A 20 5.270 -1.795 9.822 1.00 0.00 N ATOM 279 CA SER A 20 4.044 -1.674 10.603 1.00 0.00 C ATOM 280 C SER A 20 2.889 -2.394 9.914 1.00 0.00 C ATOM 281 O SER A 20 2.056 -3.022 10.570 1.00 0.00 O ATOM 282 CB SER A 20 3.690 -0.200 10.811 1.00 0.00 C ATOM 283 OG SER A 20 4.779 0.512 11.371 1.00 0.00 O ATOM 0 H SER A 20 5.339 -1.142 9.042 1.00 0.00 H new ATOM 0 HA SER A 20 4.213 -2.140 11.574 1.00 0.00 H new ATOM 0 HB2 SER A 20 3.410 0.248 9.858 1.00 0.00 H new ATOM 0 HB3 SER A 20 2.823 -0.120 11.467 1.00 0.00 H new ATOM 0 HG SER A 20 4.528 1.451 11.492 1.00 0.00 H new ATOM 289 N ILE A 21 2.845 -2.299 8.590 1.00 0.00 N ATOM 290 CA ILE A 21 1.793 -2.942 7.812 1.00 0.00 C ATOM 291 C ILE A 21 1.866 -4.460 7.938 1.00 0.00 C ATOM 292 O ILE A 21 0.841 -5.140 7.993 1.00 0.00 O ATOM 293 CB ILE A 21 1.878 -2.556 6.324 1.00 0.00 C ATOM 294 CG1 ILE A 21 1.762 -1.039 6.160 1.00 0.00 C ATOM 295 CG2 ILE A 21 0.790 -3.265 5.530 1.00 0.00 C ATOM 296 CD1 ILE A 21 2.317 -0.529 4.848 1.00 0.00 C ATOM 0 H ILE A 21 3.526 -1.783 8.033 1.00 0.00 H new ATOM 0 HA ILE A 21 0.843 -2.592 8.216 1.00 0.00 H new ATOM 0 HB ILE A 21 2.847 -2.871 5.937 1.00 0.00 H new ATOM 0 HG12 ILE A 21 0.713 -0.752 6.238 1.00 0.00 H new ATOM 0 HG13 ILE A 21 2.287 -0.552 6.981 1.00 0.00 H new ATOM 0 HG21 ILE A 21 0.863 -2.982 4.480 1.00 0.00 H new ATOM 0 HG22 ILE A 21 0.915 -4.344 5.625 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -0.188 -2.978 5.916 1.00 0.00 H new ATOM 0 HD11 ILE A 21 2.201 0.554 4.800 1.00 0.00 H new ATOM 0 HD12 ILE A 21 3.374 -0.785 4.776 1.00 0.00 H new ATOM 0 HD13 ILE A 21 1.776 -0.988 4.021 1.00 0.00 H new ATOM 308 N LEU A 22 3.085 -4.986 7.984 1.00 0.00 N ATOM 309 CA LEU A 22 3.294 -6.425 8.106 1.00 0.00 C ATOM 310 C LEU A 22 3.425 -6.834 9.569 1.00 0.00 C ATOM 311 O LEU A 22 3.741 -7.983 9.877 1.00 0.00 O ATOM 312 CB LEU A 22 4.544 -6.846 7.332 1.00 0.00 C ATOM 313 CG LEU A 22 4.577 -6.464 5.851 1.00 0.00 C ATOM 314 CD1 LEU A 22 5.979 -6.635 5.288 1.00 0.00 C ATOM 315 CD2 LEU A 22 3.578 -7.298 5.063 1.00 0.00 C ATOM 0 H LEU A 22 3.944 -4.438 7.939 1.00 0.00 H new ATOM 0 HA LEU A 22 2.426 -6.931 7.684 1.00 0.00 H new ATOM 0 HB2 LEU A 22 5.414 -6.406 7.820 1.00 0.00 H new ATOM 0 HB3 LEU A 22 4.648 -7.928 7.410 1.00 0.00 H new ATOM 0 HG LEU A 22 4.296 -5.415 5.759 1.00 0.00 H new ATOM 0 HD11 LEU A 22 5.984 -6.359 4.234 1.00 0.00 H new ATOM 0 HD12 LEU A 22 6.671 -5.994 5.834 1.00 0.00 H new ATOM 0 HD13 LEU A 22 6.289 -7.675 5.392 1.00 0.00 H new ATOM 0 HD21 LEU A 22 3.615 -7.013 4.012 1.00 0.00 H new ATOM 0 HD22 LEU A 22 3.828 -8.354 5.161 1.00 0.00 H new ATOM 0 HD23 LEU A 22 2.574 -7.125 5.451 1.00 0.00 H new ATOM 327 N GLY A 23 3.180 -5.886 10.469 1.00 0.00 N ATOM 328 CA GLY A 23 3.274 -6.169 11.889 1.00 0.00 C ATOM 329 C GLY A 23 4.593 -6.814 12.265 1.00 0.00 C ATOM 330 O GLY A 23 4.627 -7.761 13.050 1.00 0.00 O ATOM 0 H GLY A 23 2.918 -4.927 10.240 1.00 0.00 H new ATOM 0 HA2 GLY A 23 3.153 -5.242 12.450 1.00 0.00 H new ATOM 0 HA3 GLY A 23 2.455 -6.827 12.180 1.00 0.00 H new ATOM 334 N ALA A 24 5.683 -6.301 11.703 1.00 0.00 N ATOM 335 CA ALA A 24 7.010 -6.833 11.985 1.00 0.00 C ATOM 336 C ALA A 24 7.906 -5.770 12.611 1.00 0.00 C ATOM 337 O ALA A 24 7.459 -4.660 12.901 1.00 0.00 O ATOM 338 CB ALA A 24 7.642 -7.375 10.711 1.00 0.00 C ATOM 0 H ALA A 24 5.673 -5.518 11.050 1.00 0.00 H new ATOM 0 HA ALA A 24 6.903 -7.648 12.701 1.00 0.00 H new ATOM 0 HB1 ALA A 24 8.633 -7.769 10.936 1.00 0.00 H new ATOM 0 HB2 ALA A 24 7.018 -8.171 10.306 1.00 0.00 H new ATOM 0 HB3 ALA A 24 7.728 -6.573 9.978 1.00 0.00 H new ATOM 344 N ASP A 25 9.172 -6.117 12.818 1.00 0.00 N ATOM 345 CA ASP A 25 10.131 -5.192 13.410 1.00 0.00 C ATOM 346 C ASP A 25 11.177 -4.763 12.384 1.00 0.00 C ATOM 347 O ASP A 25 11.509 -5.499 11.455 1.00 0.00 O ATOM 348 CB ASP A 25 10.816 -5.836 14.616 1.00 0.00 C ATOM 349 CG ASP A 25 9.964 -5.771 15.868 1.00 0.00 C ATOM 350 OD1 ASP A 25 9.517 -4.661 16.226 1.00 0.00 O ATOM 351 OD2 ASP A 25 9.743 -6.831 16.490 1.00 0.00 O ATOM 0 H ASP A 25 9.558 -7.032 12.585 1.00 0.00 H new ATOM 0 HA ASP A 25 9.588 -4.307 13.741 1.00 0.00 H new ATOM 0 HB2 ASP A 25 11.043 -6.877 14.388 1.00 0.00 H new ATOM 0 HB3 ASP A 25 11.767 -5.336 14.800 1.00 0.00 H new ATOM 356 N PRO A 26 11.708 -3.544 12.555 1.00 0.00 N ATOM 357 CA PRO A 26 12.723 -2.989 11.654 1.00 0.00 C ATOM 358 C PRO A 26 14.066 -3.700 11.787 1.00 0.00 C ATOM 359 O PRO A 26 15.028 -3.362 11.098 1.00 0.00 O ATOM 360 CB PRO A 26 12.843 -1.532 12.108 1.00 0.00 C ATOM 361 CG PRO A 26 12.412 -1.543 13.534 1.00 0.00 C ATOM 362 CD PRO A 26 11.360 -2.612 13.641 1.00 0.00 C ATOM 0 HA PRO A 26 12.443 -3.101 10.607 1.00 0.00 H new ATOM 0 HB2 PRO A 26 13.866 -1.169 12.006 1.00 0.00 H new ATOM 0 HB3 PRO A 26 12.211 -0.877 11.508 1.00 0.00 H new ATOM 0 HG2 PRO A 26 13.253 -1.756 14.194 1.00 0.00 H new ATOM 0 HG3 PRO A 26 12.013 -0.572 13.829 1.00 0.00 H new ATOM 0 HD2 PRO A 26 11.383 -3.102 14.614 1.00 0.00 H new ATOM 0 HD3 PRO A 26 10.358 -2.203 13.514 1.00 0.00 H new ATOM 370 N SER A 27 14.123 -4.687 12.675 1.00 0.00 N ATOM 371 CA SER A 27 15.349 -5.443 12.900 1.00 0.00 C ATOM 372 C SER A 27 15.079 -6.944 12.847 1.00 0.00 C ATOM 373 O SER A 27 15.807 -7.738 13.442 1.00 0.00 O ATOM 374 CB SER A 27 15.963 -5.071 14.251 1.00 0.00 C ATOM 375 OG SER A 27 16.817 -3.947 14.131 1.00 0.00 O ATOM 0 H SER A 27 13.334 -4.982 13.251 1.00 0.00 H new ATOM 0 HA SER A 27 16.053 -5.190 12.107 1.00 0.00 H new ATOM 0 HB2 SER A 27 15.170 -4.854 14.967 1.00 0.00 H new ATOM 0 HB3 SER A 27 16.525 -5.918 14.644 1.00 0.00 H new ATOM 0 HG SER A 27 17.195 -3.728 15.008 1.00 0.00 H new ATOM 381 N ALA A 28 14.027 -7.325 12.130 1.00 0.00 N ATOM 382 CA ALA A 28 13.661 -8.729 11.997 1.00 0.00 C ATOM 383 C ALA A 28 14.436 -9.394 10.864 1.00 0.00 C ATOM 384 O ALA A 28 15.021 -8.717 10.020 1.00 0.00 O ATOM 385 CB ALA A 28 12.163 -8.864 11.764 1.00 0.00 C ATOM 0 H ALA A 28 13.413 -6.680 11.632 1.00 0.00 H new ATOM 0 HA ALA A 28 13.921 -9.236 12.926 1.00 0.00 H new ATOM 0 HB1 ALA A 28 11.904 -9.918 11.666 1.00 0.00 H new ATOM 0 HB2 ALA A 28 11.623 -8.434 12.608 1.00 0.00 H new ATOM 0 HB3 ALA A 28 11.888 -8.337 10.851 1.00 0.00 H new ATOM 391 N ASN A 29 14.436 -10.723 10.854 1.00 0.00 N ATOM 392 CA ASN A 29 15.141 -11.479 9.826 1.00 0.00 C ATOM 393 C ASN A 29 14.238 -11.734 8.622 1.00 0.00 C ATOM 394 O ASN A 29 13.041 -11.973 8.772 1.00 0.00 O ATOM 395 CB ASN A 29 15.641 -12.809 10.393 1.00 0.00 C ATOM 396 CG ASN A 29 16.967 -12.669 11.114 1.00 0.00 C ATOM 397 OD1 ASN A 29 17.571 -11.596 11.123 1.00 0.00 O ATOM 398 ND2 ASN A 29 17.427 -13.755 11.724 1.00 0.00 N ATOM 0 H ASN A 29 13.956 -11.298 11.546 1.00 0.00 H new ATOM 0 HA ASN A 29 15.996 -10.887 9.498 1.00 0.00 H new ATOM 0 HB2 ASN A 29 14.897 -13.210 11.081 1.00 0.00 H new ATOM 0 HB3 ASN A 29 15.746 -13.530 9.582 1.00 0.00 H new ATOM 0 HD21 ASN A 29 18.314 -13.721 12.226 1.00 0.00 H new ATOM 0 HD22 ASN A 29 16.893 -14.623 11.691 1.00 0.00 H new ATOM 405 N MET A 30 14.822 -11.680 7.430 1.00 0.00 N ATOM 406 CA MET A 30 14.070 -11.907 6.201 1.00 0.00 C ATOM 407 C MET A 30 13.022 -12.997 6.398 1.00 0.00 C ATOM 408 O MET A 30 11.869 -12.842 5.995 1.00 0.00 O ATOM 409 CB MET A 30 15.017 -12.294 5.063 1.00 0.00 C ATOM 410 CG MET A 30 14.304 -12.591 3.754 1.00 0.00 C ATOM 411 SD MET A 30 13.037 -11.370 3.360 1.00 0.00 S ATOM 412 CE MET A 30 14.049 -9.937 3.000 1.00 0.00 C ATOM 0 H MET A 30 15.812 -11.481 7.289 1.00 0.00 H new ATOM 0 HA MET A 30 13.559 -10.980 5.941 1.00 0.00 H new ATOM 0 HB2 MET A 30 15.730 -11.485 4.904 1.00 0.00 H new ATOM 0 HB3 MET A 30 15.591 -13.171 5.362 1.00 0.00 H new ATOM 0 HG2 MET A 30 15.035 -12.624 2.946 1.00 0.00 H new ATOM 0 HG3 MET A 30 13.846 -13.579 3.810 1.00 0.00 H new ATOM 0 HE1 MET A 30 13.669 -9.076 3.549 1.00 0.00 H new ATOM 0 HE2 MET A 30 15.078 -10.133 3.301 1.00 0.00 H new ATOM 0 HE3 MET A 30 14.017 -9.728 1.931 1.00 0.00 H new ATOM 422 N SER A 31 13.429 -14.099 7.020 1.00 0.00 N ATOM 423 CA SER A 31 12.525 -15.216 7.267 1.00 0.00 C ATOM 424 C SER A 31 11.318 -14.767 8.085 1.00 0.00 C ATOM 425 O SER A 31 10.172 -14.990 7.695 1.00 0.00 O ATOM 426 CB SER A 31 13.260 -16.343 7.996 1.00 0.00 C ATOM 427 OG SER A 31 13.955 -17.173 7.082 1.00 0.00 O ATOM 0 H SER A 31 14.379 -14.242 7.362 1.00 0.00 H new ATOM 0 HA SER A 31 12.172 -15.586 6.304 1.00 0.00 H new ATOM 0 HB2 SER A 31 13.962 -15.919 8.714 1.00 0.00 H new ATOM 0 HB3 SER A 31 12.546 -16.940 8.564 1.00 0.00 H new ATOM 0 HG SER A 31 14.418 -17.884 7.573 1.00 0.00 H new ATOM 433 N ASP A 32 11.585 -14.135 9.222 1.00 0.00 N ATOM 434 CA ASP A 32 10.522 -13.654 10.097 1.00 0.00 C ATOM 435 C ASP A 32 9.527 -12.796 9.322 1.00 0.00 C ATOM 436 O ASP A 32 8.333 -13.094 9.281 1.00 0.00 O ATOM 437 CB ASP A 32 11.111 -12.850 11.257 1.00 0.00 C ATOM 438 CG ASP A 32 11.441 -13.719 12.455 1.00 0.00 C ATOM 439 OD1 ASP A 32 10.497 -14.187 13.125 1.00 0.00 O ATOM 440 OD2 ASP A 32 12.642 -13.930 12.723 1.00 0.00 O ATOM 0 H ASP A 32 12.528 -13.944 9.560 1.00 0.00 H new ATOM 0 HA ASP A 32 9.995 -14.520 10.496 1.00 0.00 H new ATOM 0 HB2 ASP A 32 12.015 -12.341 10.921 1.00 0.00 H new ATOM 0 HB3 ASP A 32 10.403 -12.077 11.556 1.00 0.00 H new ATOM 445 N LEU A 33 10.026 -11.729 8.708 1.00 0.00 N ATOM 446 CA LEU A 33 9.181 -10.826 7.934 1.00 0.00 C ATOM 447 C LEU A 33 8.294 -11.605 6.968 1.00 0.00 C ATOM 448 O LEU A 33 7.109 -11.305 6.816 1.00 0.00 O ATOM 449 CB LEU A 33 10.043 -9.826 7.160 1.00 0.00 C ATOM 450 CG LEU A 33 10.925 -8.906 8.005 1.00 0.00 C ATOM 451 CD1 LEU A 33 12.108 -8.406 7.190 1.00 0.00 C ATOM 452 CD2 LEU A 33 10.114 -7.737 8.543 1.00 0.00 C ATOM 0 H LEU A 33 11.012 -11.468 8.731 1.00 0.00 H new ATOM 0 HA LEU A 33 8.541 -10.282 8.629 1.00 0.00 H new ATOM 0 HB2 LEU A 33 10.683 -10.382 6.475 1.00 0.00 H new ATOM 0 HB3 LEU A 33 9.386 -9.206 6.550 1.00 0.00 H new ATOM 0 HG LEU A 33 11.308 -9.477 8.851 1.00 0.00 H new ATOM 0 HD11 LEU A 33 12.725 -7.753 7.807 1.00 0.00 H new ATOM 0 HD12 LEU A 33 12.703 -9.255 6.853 1.00 0.00 H new ATOM 0 HD13 LEU A 33 11.745 -7.851 6.325 1.00 0.00 H new ATOM 0 HD21 LEU A 33 10.758 -7.093 9.142 1.00 0.00 H new ATOM 0 HD22 LEU A 33 9.702 -7.166 7.711 1.00 0.00 H new ATOM 0 HD23 LEU A 33 9.300 -8.113 9.162 1.00 0.00 H new ATOM 464 N LYS A 34 8.874 -12.608 6.318 1.00 0.00 N ATOM 465 CA LYS A 34 8.137 -13.433 5.369 1.00 0.00 C ATOM 466 C LYS A 34 6.976 -14.147 6.055 1.00 0.00 C ATOM 467 O LYS A 34 5.866 -14.194 5.527 1.00 0.00 O ATOM 468 CB LYS A 34 9.069 -14.459 4.722 1.00 0.00 C ATOM 469 CG LYS A 34 8.558 -14.995 3.396 1.00 0.00 C ATOM 470 CD LYS A 34 9.674 -15.630 2.583 1.00 0.00 C ATOM 471 CE LYS A 34 9.123 -16.514 1.475 1.00 0.00 C ATOM 472 NZ LYS A 34 10.157 -16.829 0.451 1.00 0.00 N ATOM 0 H LYS A 34 9.853 -12.869 6.431 1.00 0.00 H new ATOM 0 HA LYS A 34 7.733 -12.780 4.596 1.00 0.00 H new ATOM 0 HB2 LYS A 34 10.047 -14.002 4.567 1.00 0.00 H new ATOM 0 HB3 LYS A 34 9.212 -15.292 5.410 1.00 0.00 H new ATOM 0 HG2 LYS A 34 7.775 -15.731 3.578 1.00 0.00 H new ATOM 0 HG3 LYS A 34 8.107 -14.184 2.825 1.00 0.00 H new ATOM 0 HD2 LYS A 34 10.300 -14.849 2.150 1.00 0.00 H new ATOM 0 HD3 LYS A 34 10.312 -16.222 3.239 1.00 0.00 H new ATOM 0 HE2 LYS A 34 8.743 -17.441 1.905 1.00 0.00 H new ATOM 0 HE3 LYS A 34 8.280 -16.015 0.998 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 9.742 -17.433 -0.287 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 10.501 -15.946 0.022 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 10.951 -17.328 0.901 1.00 0.00 H new ATOM 486 N GLN A 35 7.241 -14.698 7.235 1.00 0.00 N ATOM 487 CA GLN A 35 6.218 -15.408 7.993 1.00 0.00 C ATOM 488 C GLN A 35 5.010 -14.513 8.247 1.00 0.00 C ATOM 489 O GLN A 35 3.867 -14.919 8.034 1.00 0.00 O ATOM 490 CB GLN A 35 6.790 -15.903 9.323 1.00 0.00 C ATOM 491 CG GLN A 35 7.772 -17.054 9.172 1.00 0.00 C ATOM 492 CD GLN A 35 7.089 -18.408 9.178 1.00 0.00 C ATOM 493 OE1 GLN A 35 6.519 -18.824 10.187 1.00 0.00 O ATOM 494 NE2 GLN A 35 7.145 -19.104 8.048 1.00 0.00 N ATOM 0 H GLN A 35 8.155 -14.666 7.687 1.00 0.00 H new ATOM 0 HA GLN A 35 5.894 -16.266 7.403 1.00 0.00 H new ATOM 0 HB2 GLN A 35 7.289 -15.074 9.825 1.00 0.00 H new ATOM 0 HB3 GLN A 35 5.969 -16.219 9.967 1.00 0.00 H new ATOM 0 HG2 GLN A 35 8.326 -16.935 8.241 1.00 0.00 H new ATOM 0 HG3 GLN A 35 8.500 -17.015 9.983 1.00 0.00 H new ATOM 0 HE21 GLN A 35 7.628 -18.720 7.236 1.00 0.00 H new ATOM 0 HE22 GLN A 35 6.705 -20.022 7.992 1.00 0.00 H new ATOM 503 N LYS A 36 5.269 -13.293 8.705 1.00 0.00 N ATOM 504 CA LYS A 36 4.204 -12.339 8.988 1.00 0.00 C ATOM 505 C LYS A 36 3.435 -11.990 7.718 1.00 0.00 C ATOM 506 O LYS A 36 2.204 -12.007 7.702 1.00 0.00 O ATOM 507 CB LYS A 36 4.783 -11.067 9.612 1.00 0.00 C ATOM 508 CG LYS A 36 5.200 -11.237 11.062 1.00 0.00 C ATOM 509 CD LYS A 36 6.613 -11.784 11.176 1.00 0.00 C ATOM 510 CE LYS A 36 7.270 -11.364 12.482 1.00 0.00 C ATOM 511 NZ LYS A 36 7.726 -9.947 12.442 1.00 0.00 N ATOM 0 H LYS A 36 6.209 -12.941 8.888 1.00 0.00 H new ATOM 0 HA LYS A 36 3.514 -12.801 9.694 1.00 0.00 H new ATOM 0 HB2 LYS A 36 5.647 -10.747 9.029 1.00 0.00 H new ATOM 0 HB3 LYS A 36 4.042 -10.270 9.547 1.00 0.00 H new ATOM 0 HG2 LYS A 36 5.138 -10.277 11.574 1.00 0.00 H new ATOM 0 HG3 LYS A 36 4.506 -11.911 11.564 1.00 0.00 H new ATOM 0 HD2 LYS A 36 6.589 -12.872 11.113 1.00 0.00 H new ATOM 0 HD3 LYS A 36 7.211 -11.429 10.336 1.00 0.00 H new ATOM 0 HE2 LYS A 36 6.564 -11.496 13.302 1.00 0.00 H new ATOM 0 HE3 LYS A 36 8.121 -12.014 12.686 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 8.044 -9.658 13.389 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 8.514 -9.855 11.769 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 6.939 -9.338 12.140 1.00 0.00 H new ATOM 525 N TYR A 37 4.167 -11.674 6.656 1.00 0.00 N ATOM 526 CA TYR A 37 3.553 -11.320 5.382 1.00 0.00 C ATOM 527 C TYR A 37 2.559 -12.389 4.940 1.00 0.00 C ATOM 528 O TYR A 37 1.364 -12.125 4.812 1.00 0.00 O ATOM 529 CB TYR A 37 4.627 -11.133 4.309 1.00 0.00 C ATOM 530 CG TYR A 37 4.072 -11.046 2.905 1.00 0.00 C ATOM 531 CD1 TYR A 37 3.654 -9.831 2.376 1.00 0.00 C ATOM 532 CD2 TYR A 37 3.966 -12.179 2.108 1.00 0.00 C ATOM 533 CE1 TYR A 37 3.145 -9.747 1.094 1.00 0.00 C ATOM 534 CE2 TYR A 37 3.460 -12.104 0.824 1.00 0.00 C ATOM 535 CZ TYR A 37 3.051 -10.886 0.322 1.00 0.00 C ATOM 536 OH TYR A 37 2.545 -10.808 -0.955 1.00 0.00 O ATOM 0 H TYR A 37 5.187 -11.656 6.652 1.00 0.00 H new ATOM 0 HA TYR A 37 3.014 -10.382 5.516 1.00 0.00 H new ATOM 0 HB2 TYR A 37 5.190 -10.225 4.525 1.00 0.00 H new ATOM 0 HB3 TYR A 37 5.330 -11.964 4.362 1.00 0.00 H new ATOM 0 HD1 TYR A 37 3.728 -8.937 2.977 1.00 0.00 H new ATOM 0 HD2 TYR A 37 4.284 -13.134 2.498 1.00 0.00 H new ATOM 0 HE1 TYR A 37 2.823 -8.795 0.699 1.00 0.00 H new ATOM 0 HE2 TYR A 37 3.385 -12.994 0.217 1.00 0.00 H new ATOM 0 HH TYR A 37 2.548 -11.699 -1.363 1.00 0.00 H new ATOM 546 N GLN A 38 3.062 -13.598 4.711 1.00 0.00 N ATOM 547 CA GLN A 38 2.219 -14.708 4.284 1.00 0.00 C ATOM 548 C GLN A 38 0.997 -14.842 5.187 1.00 0.00 C ATOM 549 O GLN A 38 -0.124 -15.017 4.711 1.00 0.00 O ATOM 550 CB GLN A 38 3.016 -16.013 4.287 1.00 0.00 C ATOM 551 CG GLN A 38 4.145 -16.039 3.269 1.00 0.00 C ATOM 552 CD GLN A 38 3.717 -16.626 1.939 1.00 0.00 C ATOM 553 OE1 GLN A 38 3.083 -15.954 1.125 1.00 0.00 O ATOM 554 NE2 GLN A 38 4.063 -17.888 1.709 1.00 0.00 N ATOM 0 H GLN A 38 4.049 -13.833 4.814 1.00 0.00 H new ATOM 0 HA GLN A 38 1.878 -14.502 3.269 1.00 0.00 H new ATOM 0 HB2 GLN A 38 3.431 -16.173 5.282 1.00 0.00 H new ATOM 0 HB3 GLN A 38 2.339 -16.843 4.087 1.00 0.00 H new ATOM 0 HG2 GLN A 38 4.512 -15.025 3.113 1.00 0.00 H new ATOM 0 HG3 GLN A 38 4.976 -16.621 3.668 1.00 0.00 H new ATOM 0 HE21 GLN A 38 4.589 -18.409 2.411 1.00 0.00 H new ATOM 0 HE22 GLN A 38 3.803 -18.336 0.830 1.00 0.00 H new ATOM 563 N LYS A 39 1.222 -14.758 6.494 1.00 0.00 N ATOM 564 CA LYS A 39 0.141 -14.870 7.465 1.00 0.00 C ATOM 565 C LYS A 39 -0.803 -13.675 7.369 1.00 0.00 C ATOM 566 O LYS A 39 -1.987 -13.778 7.691 1.00 0.00 O ATOM 567 CB LYS A 39 0.709 -14.971 8.883 1.00 0.00 C ATOM 568 CG LYS A 39 -0.159 -14.303 9.935 1.00 0.00 C ATOM 569 CD LYS A 39 -1.474 -15.040 10.123 1.00 0.00 C ATOM 570 CE LYS A 39 -2.542 -14.132 10.714 1.00 0.00 C ATOM 571 NZ LYS A 39 -2.217 -13.729 12.110 1.00 0.00 N ATOM 0 H LYS A 39 2.144 -14.613 6.905 1.00 0.00 H new ATOM 0 HA LYS A 39 -0.423 -15.776 7.240 1.00 0.00 H new ATOM 0 HB2 LYS A 39 0.834 -16.023 9.141 1.00 0.00 H new ATOM 0 HB3 LYS A 39 1.700 -14.518 8.901 1.00 0.00 H new ATOM 0 HG2 LYS A 39 0.378 -14.268 10.883 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -0.357 -13.272 9.643 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -1.815 -15.428 9.163 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -1.321 -15.898 10.778 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -2.645 -13.242 10.094 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -3.504 -14.645 10.699 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -2.969 -13.111 12.477 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -2.143 -14.577 12.708 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -1.312 -13.217 12.122 1.00 0.00 H new ATOM 585 N LEU A 40 -0.271 -12.542 6.922 1.00 0.00 N ATOM 586 CA LEU A 40 -1.066 -11.327 6.781 1.00 0.00 C ATOM 587 C LEU A 40 -1.551 -11.157 5.345 1.00 0.00 C ATOM 588 O LEU A 40 -1.983 -10.074 4.949 1.00 0.00 O ATOM 589 CB LEU A 40 -0.247 -10.106 7.203 1.00 0.00 C ATOM 590 CG LEU A 40 0.083 -10.002 8.692 1.00 0.00 C ATOM 591 CD1 LEU A 40 1.014 -8.827 8.951 1.00 0.00 C ATOM 592 CD2 LEU A 40 -1.191 -9.865 9.513 1.00 0.00 C ATOM 0 H LEU A 40 0.707 -12.440 6.651 1.00 0.00 H new ATOM 0 HA LEU A 40 -1.937 -11.415 7.431 1.00 0.00 H new ATOM 0 HB2 LEU A 40 0.688 -10.110 6.643 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -0.791 -9.209 6.908 1.00 0.00 H new ATOM 0 HG LEU A 40 0.591 -10.917 8.996 1.00 0.00 H new ATOM 0 HD11 LEU A 40 1.238 -8.768 10.016 1.00 0.00 H new ATOM 0 HD12 LEU A 40 1.940 -8.966 8.392 1.00 0.00 H new ATOM 0 HD13 LEU A 40 0.532 -7.903 8.630 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -0.936 -9.792 10.570 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -1.727 -8.967 9.206 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -1.824 -10.738 9.351 1.00 0.00 H new ATOM 604 N ILE A 41 -1.478 -12.234 4.570 1.00 0.00 N ATOM 605 CA ILE A 41 -1.912 -12.204 3.179 1.00 0.00 C ATOM 606 C ILE A 41 -3.233 -12.945 2.999 1.00 0.00 C ATOM 607 O ILE A 41 -4.032 -12.610 2.124 1.00 0.00 O ATOM 608 CB ILE A 41 -0.856 -12.827 2.246 1.00 0.00 C ATOM 609 CG1 ILE A 41 0.327 -11.872 2.070 1.00 0.00 C ATOM 610 CG2 ILE A 41 -1.475 -13.166 0.898 1.00 0.00 C ATOM 611 CD1 ILE A 41 0.145 -10.887 0.937 1.00 0.00 C ATOM 0 H ILE A 41 -1.123 -13.138 4.882 1.00 0.00 H new ATOM 0 HA ILE A 41 -2.047 -11.156 2.913 1.00 0.00 H new ATOM 0 HB ILE A 41 -0.491 -13.749 2.698 1.00 0.00 H new ATOM 0 HG12 ILE A 41 0.480 -11.321 2.998 1.00 0.00 H new ATOM 0 HG13 ILE A 41 1.231 -12.455 1.892 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -0.717 -13.605 0.250 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -2.288 -13.878 1.040 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -1.864 -12.258 0.438 1.00 0.00 H new ATOM 0 HD11 ILE A 41 1.021 -10.242 0.871 1.00 0.00 H new ATOM 0 HD12 ILE A 41 0.022 -11.429 -0.000 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -0.740 -10.278 1.123 1.00 0.00 H new ATOM 623 N LEU A 42 -3.457 -13.954 3.834 1.00 0.00 N ATOM 624 CA LEU A 42 -4.682 -14.743 3.770 1.00 0.00 C ATOM 625 C LEU A 42 -5.841 -14.003 4.430 1.00 0.00 C ATOM 626 O LEU A 42 -6.995 -14.144 4.023 1.00 0.00 O ATOM 627 CB LEU A 42 -4.476 -16.099 4.447 1.00 0.00 C ATOM 628 CG LEU A 42 -3.034 -16.603 4.512 1.00 0.00 C ATOM 629 CD1 LEU A 42 -2.991 -18.030 5.037 1.00 0.00 C ATOM 630 CD2 LEU A 42 -2.376 -16.517 3.143 1.00 0.00 C ATOM 0 H LEU A 42 -2.806 -14.245 4.563 1.00 0.00 H new ATOM 0 HA LEU A 42 -4.927 -14.902 2.720 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -4.865 -16.038 5.463 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -5.076 -16.841 3.920 1.00 0.00 H new ATOM 0 HG LEU A 42 -2.478 -15.967 5.200 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -1.957 -18.372 5.076 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -3.422 -18.063 6.037 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -3.563 -18.679 4.374 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -1.350 -16.880 3.209 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -2.932 -17.129 2.433 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -2.373 -15.481 2.805 1.00 0.00 H new ATOM 642 N LEU A 43 -5.527 -13.213 5.451 1.00 0.00 N ATOM 643 CA LEU A 43 -6.542 -12.448 6.168 1.00 0.00 C ATOM 644 C LEU A 43 -7.185 -11.408 5.256 1.00 0.00 C ATOM 645 O LEU A 43 -8.385 -11.150 5.341 1.00 0.00 O ATOM 646 CB LEU A 43 -5.925 -11.762 7.388 1.00 0.00 C ATOM 647 CG LEU A 43 -5.747 -12.635 8.631 1.00 0.00 C ATOM 648 CD1 LEU A 43 -4.853 -11.941 9.647 1.00 0.00 C ATOM 649 CD2 LEU A 43 -7.099 -12.967 9.246 1.00 0.00 C ATOM 0 H LEU A 43 -4.578 -13.085 5.801 1.00 0.00 H new ATOM 0 HA LEU A 43 -7.315 -13.140 6.501 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -4.950 -11.367 7.103 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -6.549 -10.909 7.654 1.00 0.00 H new ATOM 0 HG LEU A 43 -5.267 -13.567 8.332 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -4.738 -12.577 10.525 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -3.875 -11.754 9.203 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -5.305 -10.994 9.942 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -6.954 -13.589 10.129 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -7.606 -12.045 9.530 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -7.707 -13.506 8.519 1.00 0.00 H new ATOM 661 N TYR A 44 -6.378 -10.816 4.383 1.00 0.00 N ATOM 662 CA TYR A 44 -6.868 -9.803 3.454 1.00 0.00 C ATOM 663 C TYR A 44 -6.861 -10.329 2.022 1.00 0.00 C ATOM 664 O TYR A 44 -6.639 -9.575 1.073 1.00 0.00 O ATOM 665 CB TYR A 44 -6.014 -8.538 3.550 1.00 0.00 C ATOM 666 CG TYR A 44 -5.837 -8.032 4.964 1.00 0.00 C ATOM 667 CD1 TYR A 44 -4.812 -8.510 5.771 1.00 0.00 C ATOM 668 CD2 TYR A 44 -6.695 -7.075 5.492 1.00 0.00 C ATOM 669 CE1 TYR A 44 -4.648 -8.050 7.063 1.00 0.00 C ATOM 670 CE2 TYR A 44 -6.537 -6.609 6.783 1.00 0.00 C ATOM 671 CZ TYR A 44 -5.512 -7.100 7.564 1.00 0.00 C ATOM 672 OH TYR A 44 -5.351 -6.639 8.851 1.00 0.00 O ATOM 0 H TYR A 44 -5.382 -11.019 4.299 1.00 0.00 H new ATOM 0 HA TYR A 44 -7.895 -9.561 3.727 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -5.033 -8.739 3.120 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -6.472 -7.754 2.947 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -4.132 -9.253 5.382 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -7.499 -6.689 4.883 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -3.847 -8.433 7.678 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -7.212 -5.865 7.178 1.00 0.00 H new ATOM 0 HH TYR A 44 -6.041 -5.972 9.048 1.00 0.00 H new ATOM 682 N HIS A 45 -7.106 -11.627 1.873 1.00 0.00 N ATOM 683 CA HIS A 45 -7.129 -12.254 0.557 1.00 0.00 C ATOM 684 C HIS A 45 -8.550 -12.302 0.003 1.00 0.00 C ATOM 685 O HIS A 45 -9.515 -12.558 0.724 1.00 0.00 O ATOM 686 CB HIS A 45 -6.551 -13.668 0.632 1.00 0.00 C ATOM 687 CG HIS A 45 -5.921 -14.126 -0.647 1.00 0.00 C ATOM 688 ND1 HIS A 45 -6.630 -14.747 -1.654 1.00 0.00 N ATOM 689 CD2 HIS A 45 -4.642 -14.050 -1.082 1.00 0.00 C ATOM 690 CE1 HIS A 45 -5.813 -15.034 -2.652 1.00 0.00 C ATOM 691 NE2 HIS A 45 -4.600 -14.621 -2.330 1.00 0.00 N ATOM 0 H HIS A 45 -7.291 -12.265 2.647 1.00 0.00 H new ATOM 0 HA HIS A 45 -6.515 -11.654 -0.115 1.00 0.00 H new ATOM 0 HB2 HIS A 45 -5.807 -13.706 1.428 1.00 0.00 H new ATOM 0 HB3 HIS A 45 -7.346 -14.362 0.905 1.00 0.00 H new ATOM 0 HD2 HIS A 45 -3.808 -13.620 -0.547 1.00 0.00 H new ATOM 0 HE1 HIS A 45 -6.090 -15.523 -3.574 1.00 0.00 H new ATOM 0 HE2 HIS A 45 -3.768 -14.712 -2.913 1.00 0.00 H new ATOM 700 N PRO A 46 -8.684 -12.050 -1.307 1.00 0.00 N ATOM 701 CA PRO A 46 -9.983 -12.058 -1.986 1.00 0.00 C ATOM 702 C PRO A 46 -10.570 -13.461 -2.097 1.00 0.00 C ATOM 703 O PRO A 46 -11.751 -13.673 -1.821 1.00 0.00 O ATOM 704 CB PRO A 46 -9.660 -11.502 -3.376 1.00 0.00 C ATOM 705 CG PRO A 46 -8.219 -11.817 -3.584 1.00 0.00 C ATOM 706 CD PRO A 46 -7.577 -11.737 -2.227 1.00 0.00 C ATOM 0 HA PRO A 46 -10.730 -11.479 -1.443 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -10.281 -11.966 -4.142 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -9.842 -10.428 -3.425 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -8.095 -12.810 -4.016 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -7.761 -11.109 -4.275 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -6.758 -12.449 -2.127 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -7.163 -10.747 -2.036 1.00 0.00 H new ATOM 714 N ASP A 47 -9.739 -14.415 -2.502 1.00 0.00 N ATOM 715 CA ASP A 47 -10.176 -15.798 -2.647 1.00 0.00 C ATOM 716 C ASP A 47 -10.496 -16.413 -1.288 1.00 0.00 C ATOM 717 O ASP A 47 -11.529 -17.059 -1.114 1.00 0.00 O ATOM 718 CB ASP A 47 -9.100 -16.624 -3.354 1.00 0.00 C ATOM 719 CG ASP A 47 -8.816 -16.124 -4.757 1.00 0.00 C ATOM 720 OD1 ASP A 47 -9.728 -15.535 -5.374 1.00 0.00 O ATOM 721 OD2 ASP A 47 -7.680 -16.322 -5.238 1.00 0.00 O ATOM 0 H ASP A 47 -8.759 -14.256 -2.736 1.00 0.00 H new ATOM 0 HA ASP A 47 -11.083 -15.805 -3.251 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -8.181 -16.596 -2.768 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -9.417 -17.666 -3.400 1.00 0.00 H new ATOM 726 N LYS A 48 -9.601 -16.209 -0.327 1.00 0.00 N ATOM 727 CA LYS A 48 -9.786 -16.742 1.017 1.00 0.00 C ATOM 728 C LYS A 48 -11.078 -16.218 1.637 1.00 0.00 C ATOM 729 O LYS A 48 -11.522 -16.710 2.674 1.00 0.00 O ATOM 730 CB LYS A 48 -8.595 -16.371 1.904 1.00 0.00 C ATOM 731 CG LYS A 48 -7.249 -16.718 1.291 1.00 0.00 C ATOM 732 CD LYS A 48 -6.807 -18.121 1.675 1.00 0.00 C ATOM 733 CE LYS A 48 -5.462 -18.469 1.057 1.00 0.00 C ATOM 734 NZ LYS A 48 -5.614 -19.109 -0.279 1.00 0.00 N ATOM 0 H LYS A 48 -8.740 -15.678 -0.455 1.00 0.00 H new ATOM 0 HA LYS A 48 -9.852 -17.828 0.944 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -8.626 -15.301 2.111 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -8.692 -16.883 2.861 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -7.311 -16.639 0.206 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -6.501 -15.997 1.621 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -6.741 -18.199 2.760 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -7.556 -18.842 1.348 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -4.862 -17.564 0.960 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -4.920 -19.141 1.722 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -4.675 -19.331 -0.667 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -6.165 -19.986 -0.183 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -6.109 -18.458 -0.922 1.00 0.00 H new ATOM 748 N GLN A 49 -11.675 -15.220 0.994 1.00 0.00 N ATOM 749 CA GLN A 49 -12.916 -14.632 1.483 1.00 0.00 C ATOM 750 C GLN A 49 -13.967 -15.708 1.735 1.00 0.00 C ATOM 751 O GLN A 49 -13.691 -16.901 1.607 1.00 0.00 O ATOM 752 CB GLN A 49 -13.449 -13.607 0.481 1.00 0.00 C ATOM 753 CG GLN A 49 -12.618 -12.336 0.411 1.00 0.00 C ATOM 754 CD GLN A 49 -12.527 -11.623 1.745 1.00 0.00 C ATOM 755 OE1 GLN A 49 -13.427 -10.871 2.123 1.00 0.00 O ATOM 756 NE2 GLN A 49 -11.438 -11.856 2.469 1.00 0.00 N ATOM 0 H GLN A 49 -11.320 -14.802 0.134 1.00 0.00 H new ATOM 0 HA GLN A 49 -12.703 -14.130 2.427 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -13.485 -14.063 -0.508 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -14.473 -13.347 0.749 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -11.614 -12.582 0.066 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -13.053 -11.663 -0.327 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -10.717 -12.486 2.118 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -11.323 -11.405 3.376 1.00 0.00 H new ATOM 765 N SER A 50 -15.173 -15.279 2.094 1.00 0.00 N ATOM 766 CA SER A 50 -16.264 -16.206 2.367 1.00 0.00 C ATOM 767 C SER A 50 -17.581 -15.457 2.551 1.00 0.00 C ATOM 768 O SER A 50 -17.592 -14.267 2.864 1.00 0.00 O ATOM 769 CB SER A 50 -15.957 -17.034 3.617 1.00 0.00 C ATOM 770 OG SER A 50 -15.050 -18.083 3.323 1.00 0.00 O ATOM 0 H SER A 50 -15.419 -14.295 2.202 1.00 0.00 H new ATOM 0 HA SER A 50 -16.362 -16.874 1.511 1.00 0.00 H new ATOM 0 HB2 SER A 50 -15.536 -16.390 4.389 1.00 0.00 H new ATOM 0 HB3 SER A 50 -16.881 -17.450 4.018 1.00 0.00 H new ATOM 0 HG SER A 50 -14.660 -17.939 2.435 1.00 0.00 H new ATOM 776 N ALA A 51 -18.689 -16.163 2.353 1.00 0.00 N ATOM 777 CA ALA A 51 -20.011 -15.567 2.498 1.00 0.00 C ATOM 778 C ALA A 51 -20.218 -15.029 3.910 1.00 0.00 C ATOM 779 O ALA A 51 -21.193 -14.328 4.180 1.00 0.00 O ATOM 780 CB ALA A 51 -21.089 -16.584 2.155 1.00 0.00 C ATOM 0 H ALA A 51 -18.697 -17.149 2.092 1.00 0.00 H new ATOM 0 HA ALA A 51 -20.083 -14.730 1.804 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -22.071 -16.125 2.268 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -20.960 -16.917 1.125 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -21.009 -17.439 2.826 1.00 0.00 H new ATOM 786 N ASP A 52 -19.296 -15.362 4.806 1.00 0.00 N ATOM 787 CA ASP A 52 -19.378 -14.912 6.191 1.00 0.00 C ATOM 788 C ASP A 52 -19.165 -13.404 6.286 1.00 0.00 C ATOM 789 O ASP A 52 -19.875 -12.711 7.014 1.00 0.00 O ATOM 790 CB ASP A 52 -18.343 -15.641 7.049 1.00 0.00 C ATOM 791 CG ASP A 52 -16.979 -14.981 6.996 1.00 0.00 C ATOM 792 OD1 ASP A 52 -16.804 -13.931 7.648 1.00 0.00 O ATOM 793 OD2 ASP A 52 -16.088 -15.515 6.303 1.00 0.00 O ATOM 0 H ASP A 52 -18.483 -15.942 4.598 1.00 0.00 H new ATOM 0 HA ASP A 52 -20.376 -15.144 6.564 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -18.689 -15.672 8.082 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -18.257 -16.674 6.711 1.00 0.00 H new ATOM 798 N VAL A 53 -18.181 -12.904 5.545 1.00 0.00 N ATOM 799 CA VAL A 53 -17.873 -11.478 5.546 1.00 0.00 C ATOM 800 C VAL A 53 -18.964 -10.681 4.840 1.00 0.00 C ATOM 801 O VAL A 53 -19.490 -11.084 3.802 1.00 0.00 O ATOM 802 CB VAL A 53 -16.522 -11.196 4.862 1.00 0.00 C ATOM 803 CG1 VAL A 53 -15.411 -11.996 5.524 1.00 0.00 C ATOM 804 CG2 VAL A 53 -16.603 -11.507 3.375 1.00 0.00 C ATOM 0 H VAL A 53 -17.584 -13.464 4.937 1.00 0.00 H new ATOM 0 HA VAL A 53 -17.816 -11.166 6.589 1.00 0.00 H new ATOM 0 HB VAL A 53 -16.290 -10.137 4.976 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -14.464 -11.784 5.027 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -15.339 -11.718 6.576 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -15.632 -13.060 5.444 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -15.640 -11.302 2.907 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -16.857 -12.558 3.236 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -17.370 -10.884 2.914 1.00 0.00 H new ATOM 814 N PRO A 54 -19.314 -9.520 5.414 1.00 0.00 N ATOM 815 CA PRO A 54 -20.345 -8.640 4.857 1.00 0.00 C ATOM 816 C PRO A 54 -19.901 -7.976 3.558 1.00 0.00 C ATOM 817 O PRO A 54 -18.854 -8.313 3.005 1.00 0.00 O ATOM 818 CB PRO A 54 -20.546 -7.590 5.953 1.00 0.00 C ATOM 819 CG PRO A 54 -19.256 -7.570 6.699 1.00 0.00 C ATOM 820 CD PRO A 54 -18.729 -8.977 6.652 1.00 0.00 C ATOM 0 HA PRO A 54 -21.252 -9.187 4.601 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -20.773 -6.612 5.528 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -21.377 -7.854 6.607 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -18.552 -6.874 6.243 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -19.405 -7.243 7.728 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -17.640 -8.997 6.624 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -19.036 -9.550 7.527 1.00 0.00 H new ATOM 828 N ALA A 55 -20.702 -7.031 3.077 1.00 0.00 N ATOM 829 CA ALA A 55 -20.389 -6.319 1.845 1.00 0.00 C ATOM 830 C ALA A 55 -19.517 -5.099 2.122 1.00 0.00 C ATOM 831 O ALA A 55 -19.113 -4.390 1.202 1.00 0.00 O ATOM 832 CB ALA A 55 -21.670 -5.904 1.136 1.00 0.00 C ATOM 0 H ALA A 55 -21.573 -6.741 3.522 1.00 0.00 H new ATOM 0 HA ALA A 55 -19.829 -6.993 1.197 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -21.422 -5.373 0.217 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -22.256 -6.791 0.895 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -22.251 -5.251 1.787 1.00 0.00 H new ATOM 838 N GLY A 56 -19.230 -4.860 3.399 1.00 0.00 N ATOM 839 CA GLY A 56 -18.408 -3.724 3.774 1.00 0.00 C ATOM 840 C GLY A 56 -16.963 -4.111 4.022 1.00 0.00 C ATOM 841 O GLY A 56 -16.043 -3.409 3.600 1.00 0.00 O ATOM 0 H GLY A 56 -19.552 -5.432 4.179 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -18.450 -2.973 2.985 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -18.817 -3.264 4.674 1.00 0.00 H new ATOM 845 N THR A 57 -16.761 -5.231 4.709 1.00 0.00 N ATOM 846 CA THR A 57 -15.419 -5.709 5.014 1.00 0.00 C ATOM 847 C THR A 57 -14.609 -5.926 3.741 1.00 0.00 C ATOM 848 O THR A 57 -13.468 -5.479 3.637 1.00 0.00 O ATOM 849 CB THR A 57 -15.459 -7.024 5.815 1.00 0.00 C ATOM 850 OG1 THR A 57 -16.146 -6.823 7.055 1.00 0.00 O ATOM 851 CG2 THR A 57 -14.052 -7.536 6.086 1.00 0.00 C ATOM 0 H THR A 57 -17.511 -5.824 5.065 1.00 0.00 H new ATOM 0 HA THR A 57 -14.940 -4.939 5.619 1.00 0.00 H new ATOM 0 HB THR A 57 -15.991 -7.768 5.222 1.00 0.00 H new ATOM 0 HG1 THR A 57 -16.168 -7.664 7.557 1.00 0.00 H new ATOM 0 HG21 THR A 57 -14.106 -8.465 6.653 1.00 0.00 H new ATOM 0 HG22 THR A 57 -13.542 -7.717 5.140 1.00 0.00 H new ATOM 0 HG23 THR A 57 -13.499 -6.793 6.660 1.00 0.00 H new ATOM 859 N MET A 58 -15.208 -6.615 2.775 1.00 0.00 N ATOM 860 CA MET A 58 -14.542 -6.890 1.507 1.00 0.00 C ATOM 861 C MET A 58 -13.791 -5.659 1.010 1.00 0.00 C ATOM 862 O MET A 58 -12.567 -5.680 0.880 1.00 0.00 O ATOM 863 CB MET A 58 -15.562 -7.338 0.458 1.00 0.00 C ATOM 864 CG MET A 58 -14.933 -7.748 -0.864 1.00 0.00 C ATOM 865 SD MET A 58 -14.363 -9.459 -0.861 1.00 0.00 S ATOM 866 CE MET A 58 -12.644 -9.244 -1.317 1.00 0.00 C ATOM 0 H MET A 58 -16.153 -6.993 2.846 1.00 0.00 H new ATOM 0 HA MET A 58 -13.822 -7.692 1.669 1.00 0.00 H new ATOM 0 HB2 MET A 58 -16.134 -8.177 0.854 1.00 0.00 H new ATOM 0 HB3 MET A 58 -16.268 -6.527 0.279 1.00 0.00 H new ATOM 0 HG2 MET A 58 -15.660 -7.613 -1.665 1.00 0.00 H new ATOM 0 HG3 MET A 58 -14.092 -7.089 -1.082 1.00 0.00 H new ATOM 0 HE1 MET A 58 -12.379 -9.968 -2.087 1.00 0.00 H new ATOM 0 HE2 MET A 58 -12.493 -8.235 -1.700 1.00 0.00 H new ATOM 0 HE3 MET A 58 -12.013 -9.398 -0.441 1.00 0.00 H new ATOM 876 N GLU A 59 -14.531 -4.590 0.734 1.00 0.00 N ATOM 877 CA GLU A 59 -13.933 -3.352 0.250 1.00 0.00 C ATOM 878 C GLU A 59 -12.680 -3.004 1.049 1.00 0.00 C ATOM 879 O GLU A 59 -11.672 -2.579 0.487 1.00 0.00 O ATOM 880 CB GLU A 59 -14.941 -2.204 0.337 1.00 0.00 C ATOM 881 CG GLU A 59 -14.332 -0.837 0.076 1.00 0.00 C ATOM 882 CD GLU A 59 -15.341 0.158 -0.464 1.00 0.00 C ATOM 883 OE1 GLU A 59 -16.305 0.477 0.263 1.00 0.00 O ATOM 884 OE2 GLU A 59 -15.166 0.618 -1.611 1.00 0.00 O ATOM 0 H GLU A 59 -15.545 -4.557 0.837 1.00 0.00 H new ATOM 0 HA GLU A 59 -13.650 -3.499 -0.792 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -15.741 -2.379 -0.382 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -15.397 -2.206 1.327 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -13.906 -0.450 1.002 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -13.512 -0.939 -0.634 1.00 0.00 H new ATOM 891 N GLU A 60 -12.754 -3.188 2.364 1.00 0.00 N ATOM 892 CA GLU A 60 -11.627 -2.892 3.241 1.00 0.00 C ATOM 893 C GLU A 60 -10.477 -3.864 2.995 1.00 0.00 C ATOM 894 O GLU A 60 -9.310 -3.471 2.980 1.00 0.00 O ATOM 895 CB GLU A 60 -12.061 -2.958 4.706 1.00 0.00 C ATOM 896 CG GLU A 60 -13.109 -1.922 5.078 1.00 0.00 C ATOM 897 CD GLU A 60 -13.317 -1.815 6.577 1.00 0.00 C ATOM 898 OE1 GLU A 60 -12.350 -1.473 7.288 1.00 0.00 O ATOM 899 OE2 GLU A 60 -14.449 -2.074 7.038 1.00 0.00 O ATOM 0 H GLU A 60 -13.582 -3.540 2.845 1.00 0.00 H new ATOM 0 HA GLU A 60 -11.281 -1.883 3.018 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -12.455 -3.952 4.915 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -11.186 -2.822 5.342 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -12.809 -0.950 4.686 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -14.055 -2.180 4.601 1.00 0.00 H new ATOM 906 N CYS A 61 -10.815 -5.134 2.804 1.00 0.00 N ATOM 907 CA CYS A 61 -9.811 -6.164 2.560 1.00 0.00 C ATOM 908 C CYS A 61 -8.930 -5.794 1.372 1.00 0.00 C ATOM 909 O CYS A 61 -7.857 -6.366 1.180 1.00 0.00 O ATOM 910 CB CYS A 61 -10.486 -7.514 2.309 1.00 0.00 C ATOM 911 SG CYS A 61 -10.796 -8.474 3.810 1.00 0.00 S ATOM 0 H CYS A 61 -11.776 -5.476 2.813 1.00 0.00 H new ATOM 0 HA CYS A 61 -9.181 -6.240 3.446 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -11.433 -7.345 1.796 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -9.860 -8.102 1.637 1.00 0.00 H new ATOM 0 HG CYS A 61 -11.716 -9.362 3.575 1.00 0.00 H new ATOM 917 N MET A 62 -9.391 -4.835 0.576 1.00 0.00 N ATOM 918 CA MET A 62 -8.644 -4.389 -0.595 1.00 0.00 C ATOM 919 C MET A 62 -7.548 -3.405 -0.198 1.00 0.00 C ATOM 920 O MET A 62 -6.372 -3.623 -0.487 1.00 0.00 O ATOM 921 CB MET A 62 -9.586 -3.739 -1.610 1.00 0.00 C ATOM 922 CG MET A 62 -9.082 -3.815 -3.042 1.00 0.00 C ATOM 923 SD MET A 62 -9.120 -5.492 -3.703 1.00 0.00 S ATOM 924 CE MET A 62 -7.987 -5.339 -5.082 1.00 0.00 C ATOM 0 H MET A 62 -10.278 -4.352 0.720 1.00 0.00 H new ATOM 0 HA MET A 62 -8.177 -5.262 -1.051 1.00 0.00 H new ATOM 0 HB2 MET A 62 -10.561 -4.223 -1.550 1.00 0.00 H new ATOM 0 HB3 MET A 62 -9.732 -2.693 -1.340 1.00 0.00 H new ATOM 0 HG2 MET A 62 -9.690 -3.166 -3.672 1.00 0.00 H new ATOM 0 HG3 MET A 62 -8.061 -3.435 -3.085 1.00 0.00 H new ATOM 0 HE1 MET A 62 -7.904 -6.298 -5.593 1.00 0.00 H new ATOM 0 HE2 MET A 62 -8.360 -4.588 -5.778 1.00 0.00 H new ATOM 0 HE3 MET A 62 -7.006 -5.038 -4.715 1.00 0.00 H new ATOM 934 N GLN A 63 -7.942 -2.323 0.465 1.00 0.00 N ATOM 935 CA GLN A 63 -6.992 -1.306 0.900 1.00 0.00 C ATOM 936 C GLN A 63 -5.856 -1.930 1.703 1.00 0.00 C ATOM 937 O GLN A 63 -4.731 -1.430 1.700 1.00 0.00 O ATOM 938 CB GLN A 63 -7.701 -0.242 1.740 1.00 0.00 C ATOM 939 CG GLN A 63 -8.544 0.720 0.918 1.00 0.00 C ATOM 940 CD GLN A 63 -7.716 1.540 -0.052 1.00 0.00 C ATOM 941 OE1 GLN A 63 -6.598 1.949 0.261 1.00 0.00 O ATOM 942 NE2 GLN A 63 -8.262 1.785 -1.237 1.00 0.00 N ATOM 0 H GLN A 63 -8.912 -2.128 0.713 1.00 0.00 H new ATOM 0 HA GLN A 63 -6.569 -0.836 0.012 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -8.339 -0.735 2.473 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -6.955 0.326 2.297 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -9.294 0.157 0.363 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -9.081 1.391 1.589 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -9.192 1.426 -1.454 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -7.752 2.332 -1.930 1.00 0.00 H new ATOM 951 N LYS A 64 -6.157 -3.026 2.392 1.00 0.00 N ATOM 952 CA LYS A 64 -5.162 -3.721 3.199 1.00 0.00 C ATOM 953 C LYS A 64 -4.274 -4.604 2.328 1.00 0.00 C ATOM 954 O LYS A 64 -3.050 -4.469 2.334 1.00 0.00 O ATOM 955 CB LYS A 64 -5.848 -4.570 4.272 1.00 0.00 C ATOM 956 CG LYS A 64 -6.430 -3.754 5.413 1.00 0.00 C ATOM 957 CD LYS A 64 -5.420 -3.560 6.532 1.00 0.00 C ATOM 958 CE LYS A 64 -4.563 -2.324 6.302 1.00 0.00 C ATOM 959 NZ LYS A 64 -5.386 -1.141 5.926 1.00 0.00 N ATOM 0 H LYS A 64 -7.084 -3.452 2.407 1.00 0.00 H new ATOM 0 HA LYS A 64 -4.536 -2.971 3.683 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -6.645 -5.151 3.809 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -5.128 -5.282 4.676 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -6.751 -2.782 5.039 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -7.316 -4.254 5.804 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -5.943 -3.469 7.484 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -4.780 -4.440 6.603 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -3.998 -2.100 7.207 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -3.837 -2.527 5.515 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -4.880 -0.270 6.184 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -5.559 -1.150 4.901 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -6.295 -1.176 6.431 1.00 0.00 H new ATOM 973 N PHE A 65 -4.899 -5.507 1.579 1.00 0.00 N ATOM 974 CA PHE A 65 -4.165 -6.412 0.702 1.00 0.00 C ATOM 975 C PHE A 65 -3.129 -5.651 -0.121 1.00 0.00 C ATOM 976 O PHE A 65 -1.967 -6.052 -0.199 1.00 0.00 O ATOM 977 CB PHE A 65 -5.130 -7.148 -0.229 1.00 0.00 C ATOM 978 CG PHE A 65 -4.466 -8.197 -1.075 1.00 0.00 C ATOM 979 CD1 PHE A 65 -4.127 -9.428 -0.536 1.00 0.00 C ATOM 980 CD2 PHE A 65 -4.178 -7.950 -2.408 1.00 0.00 C ATOM 981 CE1 PHE A 65 -3.516 -10.395 -1.312 1.00 0.00 C ATOM 982 CE2 PHE A 65 -3.567 -8.913 -3.188 1.00 0.00 C ATOM 983 CZ PHE A 65 -3.234 -10.137 -2.639 1.00 0.00 C ATOM 0 H PHE A 65 -5.911 -5.631 1.562 1.00 0.00 H new ATOM 0 HA PHE A 65 -3.645 -7.140 1.325 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -5.912 -7.616 0.369 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -5.618 -6.423 -0.880 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -4.343 -9.634 0.502 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -4.434 -6.995 -2.842 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -3.259 -11.351 -0.881 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -3.350 -8.709 -4.226 1.00 0.00 H new ATOM 0 HZ PHE A 65 -2.754 -10.890 -3.247 1.00 0.00 H new ATOM 993 N ILE A 66 -3.559 -4.552 -0.732 1.00 0.00 N ATOM 994 CA ILE A 66 -2.669 -3.735 -1.548 1.00 0.00 C ATOM 995 C ILE A 66 -1.401 -3.372 -0.783 1.00 0.00 C ATOM 996 O ILE A 66 -0.293 -3.685 -1.216 1.00 0.00 O ATOM 997 CB ILE A 66 -3.363 -2.441 -2.014 1.00 0.00 C ATOM 998 CG1 ILE A 66 -4.478 -2.765 -3.010 1.00 0.00 C ATOM 999 CG2 ILE A 66 -2.350 -1.492 -2.636 1.00 0.00 C ATOM 1000 CD1 ILE A 66 -5.325 -1.568 -3.379 1.00 0.00 C ATOM 0 H ILE A 66 -4.517 -4.207 -0.678 1.00 0.00 H new ATOM 0 HA ILE A 66 -2.405 -4.331 -2.422 1.00 0.00 H new ATOM 0 HB ILE A 66 -3.807 -1.951 -1.147 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -4.036 -3.180 -3.916 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -5.120 -3.537 -2.586 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -2.855 -0.582 -2.960 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -1.587 -1.240 -1.899 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -1.881 -1.972 -3.495 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -6.095 -1.872 -4.088 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -5.796 -1.165 -2.482 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -4.695 -0.803 -3.833 1.00 0.00 H new ATOM 1012 N GLU A 67 -1.573 -2.710 0.357 1.00 0.00 N ATOM 1013 CA GLU A 67 -0.441 -2.305 1.182 1.00 0.00 C ATOM 1014 C GLU A 67 0.449 -3.500 1.510 1.00 0.00 C ATOM 1015 O GLU A 67 1.664 -3.453 1.320 1.00 0.00 O ATOM 1016 CB GLU A 67 -0.933 -1.651 2.475 1.00 0.00 C ATOM 1017 CG GLU A 67 -1.380 -0.210 2.296 1.00 0.00 C ATOM 1018 CD GLU A 67 -0.425 0.595 1.436 1.00 0.00 C ATOM 1019 OE1 GLU A 67 0.802 0.462 1.629 1.00 0.00 O ATOM 1020 OE2 GLU A 67 -0.904 1.358 0.571 1.00 0.00 O ATOM 0 H GLU A 67 -2.484 -2.443 0.730 1.00 0.00 H new ATOM 0 HA GLU A 67 0.147 -1.581 0.617 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -1.764 -2.233 2.874 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -0.135 -1.686 3.216 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -2.371 -0.195 1.843 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -1.469 0.263 3.274 1.00 0.00 H new ATOM 1027 N ILE A 68 -0.166 -4.570 2.004 1.00 0.00 N ATOM 1028 CA ILE A 68 0.569 -5.777 2.358 1.00 0.00 C ATOM 1029 C ILE A 68 1.411 -6.272 1.187 1.00 0.00 C ATOM 1030 O ILE A 68 2.545 -6.716 1.368 1.00 0.00 O ATOM 1031 CB ILE A 68 -0.381 -6.904 2.805 1.00 0.00 C ATOM 1032 CG1 ILE A 68 -1.245 -6.437 3.978 1.00 0.00 C ATOM 1033 CG2 ILE A 68 0.412 -8.146 3.186 1.00 0.00 C ATOM 1034 CD1 ILE A 68 -2.436 -7.332 4.245 1.00 0.00 C ATOM 0 H ILE A 68 -1.171 -4.625 2.168 1.00 0.00 H new ATOM 0 HA ILE A 68 1.225 -5.515 3.188 1.00 0.00 H new ATOM 0 HB ILE A 68 -1.037 -7.157 1.972 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -0.629 -6.388 4.876 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -1.598 -5.425 3.778 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -0.273 -8.933 3.500 1.00 0.00 H new ATOM 0 HG22 ILE A 68 0.988 -8.488 2.326 1.00 0.00 H new ATOM 0 HG23 ILE A 68 1.090 -7.908 4.005 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -3.003 -6.941 5.090 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -3.074 -7.362 3.362 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -2.090 -8.339 4.476 1.00 0.00 H new ATOM 1046 N ASP A 69 0.849 -6.190 -0.014 1.00 0.00 N ATOM 1047 CA ASP A 69 1.549 -6.626 -1.217 1.00 0.00 C ATOM 1048 C ASP A 69 2.702 -5.684 -1.547 1.00 0.00 C ATOM 1049 O ASP A 69 3.527 -5.977 -2.411 1.00 0.00 O ATOM 1050 CB ASP A 69 0.580 -6.700 -2.398 1.00 0.00 C ATOM 1051 CG ASP A 69 1.128 -7.526 -3.545 1.00 0.00 C ATOM 1052 OD1 ASP A 69 1.113 -8.770 -3.441 1.00 0.00 O ATOM 1053 OD2 ASP A 69 1.572 -6.927 -4.548 1.00 0.00 O ATOM 0 H ASP A 69 -0.089 -5.826 -0.181 1.00 0.00 H new ATOM 0 HA ASP A 69 1.958 -7.619 -1.030 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -0.364 -7.130 -2.063 1.00 0.00 H new ATOM 0 HB3 ASP A 69 0.364 -5.692 -2.751 1.00 0.00 H new ATOM 1058 N GLN A 70 2.751 -4.551 -0.853 1.00 0.00 N ATOM 1059 CA GLN A 70 3.802 -3.565 -1.074 1.00 0.00 C ATOM 1060 C GLN A 70 4.882 -3.670 -0.002 1.00 0.00 C ATOM 1061 O GLN A 70 6.073 -3.570 -0.294 1.00 0.00 O ATOM 1062 CB GLN A 70 3.213 -2.154 -1.084 1.00 0.00 C ATOM 1063 CG GLN A 70 2.627 -1.749 -2.428 1.00 0.00 C ATOM 1064 CD GLN A 70 1.622 -0.620 -2.310 1.00 0.00 C ATOM 1065 OE1 GLN A 70 1.550 0.058 -1.285 1.00 0.00 O ATOM 1066 NE2 GLN A 70 0.838 -0.413 -3.362 1.00 0.00 N ATOM 0 H GLN A 70 2.075 -4.294 -0.133 1.00 0.00 H new ATOM 0 HA GLN A 70 4.257 -3.768 -2.043 1.00 0.00 H new ATOM 0 HB2 GLN A 70 2.435 -2.088 -0.323 1.00 0.00 H new ATOM 0 HB3 GLN A 70 3.991 -1.442 -0.807 1.00 0.00 H new ATOM 0 HG2 GLN A 70 3.434 -1.444 -3.095 1.00 0.00 H new ATOM 0 HG3 GLN A 70 2.145 -2.613 -2.885 1.00 0.00 H new ATOM 0 HE21 GLN A 70 0.932 -0.999 -4.191 1.00 0.00 H new ATOM 0 HE22 GLN A 70 0.142 0.332 -3.341 1.00 0.00 H new ATOM 1075 N ALA A 71 4.456 -3.872 1.241 1.00 0.00 N ATOM 1076 CA ALA A 71 5.387 -3.992 2.357 1.00 0.00 C ATOM 1077 C ALA A 71 6.385 -5.121 2.120 1.00 0.00 C ATOM 1078 O ALA A 71 7.434 -5.179 2.762 1.00 0.00 O ATOM 1079 CB ALA A 71 4.627 -4.220 3.655 1.00 0.00 C ATOM 0 H ALA A 71 3.473 -3.956 1.500 1.00 0.00 H new ATOM 0 HA ALA A 71 5.946 -3.059 2.435 1.00 0.00 H new ATOM 0 HB1 ALA A 71 5.334 -4.308 4.480 1.00 0.00 H new ATOM 0 HB2 ALA A 71 3.959 -3.379 3.838 1.00 0.00 H new ATOM 0 HB3 ALA A 71 4.043 -5.137 3.578 1.00 0.00 H new ATOM 1085 N TRP A 72 6.051 -6.015 1.197 1.00 0.00 N ATOM 1086 CA TRP A 72 6.918 -7.143 0.877 1.00 0.00 C ATOM 1087 C TRP A 72 7.787 -6.835 -0.338 1.00 0.00 C ATOM 1088 O TRP A 72 8.957 -7.212 -0.389 1.00 0.00 O ATOM 1089 CB TRP A 72 6.083 -8.398 0.617 1.00 0.00 C ATOM 1090 CG TRP A 72 6.911 -9.625 0.383 1.00 0.00 C ATOM 1091 CD1 TRP A 72 6.885 -10.434 -0.717 1.00 0.00 C ATOM 1092 CD2 TRP A 72 7.886 -10.183 1.271 1.00 0.00 C ATOM 1093 NE1 TRP A 72 7.785 -11.461 -0.566 1.00 0.00 N ATOM 1094 CE2 TRP A 72 8.413 -11.329 0.644 1.00 0.00 C ATOM 1095 CE3 TRP A 72 8.368 -9.824 2.533 1.00 0.00 C ATOM 1096 CZ2 TRP A 72 9.394 -12.118 1.239 1.00 0.00 C ATOM 1097 CZ3 TRP A 72 9.342 -10.608 3.122 1.00 0.00 C ATOM 1098 CH2 TRP A 72 9.847 -11.743 2.474 1.00 0.00 C ATOM 0 H TRP A 72 5.186 -5.981 0.657 1.00 0.00 H new ATOM 0 HA TRP A 72 7.571 -7.320 1.732 1.00 0.00 H new ATOM 0 HB2 TRP A 72 5.424 -8.570 1.468 1.00 0.00 H new ATOM 0 HB3 TRP A 72 5.445 -8.228 -0.250 1.00 0.00 H new ATOM 0 HD1 TRP A 72 6.250 -10.288 -1.579 1.00 0.00 H new ATOM 0 HE1 TRP A 72 7.958 -12.202 -1.245 1.00 0.00 H new ATOM 0 HE3 TRP A 72 7.986 -8.950 3.039 1.00 0.00 H new ATOM 0 HZ2 TRP A 72 9.783 -12.995 0.743 1.00 0.00 H new ATOM 0 HZ3 TRP A 72 9.720 -10.341 4.098 1.00 0.00 H new ATOM 0 HH2 TRP A 72 10.610 -12.334 2.960 1.00 0.00 H new ATOM 1109 N LYS A 73 7.206 -6.146 -1.315 1.00 0.00 N ATOM 1110 CA LYS A 73 7.927 -5.785 -2.530 1.00 0.00 C ATOM 1111 C LYS A 73 9.289 -5.183 -2.196 1.00 0.00 C ATOM 1112 O LYS A 73 10.283 -5.467 -2.864 1.00 0.00 O ATOM 1113 CB LYS A 73 7.108 -4.792 -3.357 1.00 0.00 C ATOM 1114 CG LYS A 73 6.133 -5.456 -4.313 1.00 0.00 C ATOM 1115 CD LYS A 73 5.081 -4.476 -4.807 1.00 0.00 C ATOM 1116 CE LYS A 73 5.530 -3.771 -6.078 1.00 0.00 C ATOM 1117 NZ LYS A 73 6.363 -2.573 -5.783 1.00 0.00 N ATOM 0 H LYS A 73 6.238 -5.827 -1.289 1.00 0.00 H new ATOM 0 HA LYS A 73 8.084 -6.692 -3.113 1.00 0.00 H new ATOM 0 HB2 LYS A 73 6.554 -4.139 -2.682 1.00 0.00 H new ATOM 0 HB3 LYS A 73 7.788 -4.159 -3.927 1.00 0.00 H new ATOM 0 HG2 LYS A 73 6.678 -5.866 -5.164 1.00 0.00 H new ATOM 0 HG3 LYS A 73 5.646 -6.293 -3.814 1.00 0.00 H new ATOM 0 HD2 LYS A 73 4.147 -5.006 -4.994 1.00 0.00 H new ATOM 0 HD3 LYS A 73 4.878 -3.737 -4.032 1.00 0.00 H new ATOM 0 HE2 LYS A 73 6.099 -4.465 -6.697 1.00 0.00 H new ATOM 0 HE3 LYS A 73 4.655 -3.472 -6.656 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 6.008 -1.761 -6.327 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 6.313 -2.357 -4.767 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 7.350 -2.763 -6.049 1.00 0.00 H new ATOM 1131 N ILE A 74 9.325 -4.353 -1.159 1.00 0.00 N ATOM 1132 CA ILE A 74 10.566 -3.715 -0.736 1.00 0.00 C ATOM 1133 C ILE A 74 11.316 -4.582 0.269 1.00 0.00 C ATOM 1134 O ILE A 74 12.488 -4.906 0.074 1.00 0.00 O ATOM 1135 CB ILE A 74 10.302 -2.333 -0.109 1.00 0.00 C ATOM 1136 CG1 ILE A 74 9.955 -1.313 -1.196 1.00 0.00 C ATOM 1137 CG2 ILE A 74 11.513 -1.874 0.689 1.00 0.00 C ATOM 1138 CD1 ILE A 74 8.493 -1.317 -1.584 1.00 0.00 C ATOM 0 H ILE A 74 8.510 -4.107 -0.597 1.00 0.00 H new ATOM 0 HA ILE A 74 11.177 -3.589 -1.630 1.00 0.00 H new ATOM 0 HB ILE A 74 9.453 -2.414 0.570 1.00 0.00 H new ATOM 0 HG12 ILE A 74 10.227 -0.317 -0.848 1.00 0.00 H new ATOM 0 HG13 ILE A 74 10.558 -1.518 -2.081 1.00 0.00 H new ATOM 0 HG21 ILE A 74 11.311 -0.896 1.126 1.00 0.00 H new ATOM 0 HG22 ILE A 74 11.718 -2.591 1.484 1.00 0.00 H new ATOM 0 HG23 ILE A 74 12.378 -1.805 0.030 1.00 0.00 H new ATOM 0 HD11 ILE A 74 8.320 -0.570 -2.358 1.00 0.00 H new ATOM 0 HD12 ILE A 74 8.220 -2.302 -1.963 1.00 0.00 H new ATOM 0 HD13 ILE A 74 7.884 -1.082 -0.711 1.00 0.00 H new ATOM 1150 N LEU A 75 10.632 -4.957 1.345 1.00 0.00 N ATOM 1151 CA LEU A 75 11.232 -5.789 2.381 1.00 0.00 C ATOM 1152 C LEU A 75 11.653 -7.143 1.817 1.00 0.00 C ATOM 1153 O LEU A 75 12.830 -7.500 1.847 1.00 0.00 O ATOM 1154 CB LEU A 75 10.249 -5.989 3.536 1.00 0.00 C ATOM 1155 CG LEU A 75 9.922 -4.744 4.362 1.00 0.00 C ATOM 1156 CD1 LEU A 75 9.007 -5.099 5.523 1.00 0.00 C ATOM 1157 CD2 LEU A 75 11.199 -4.089 4.867 1.00 0.00 C ATOM 0 H LEU A 75 9.662 -4.698 1.522 1.00 0.00 H new ATOM 0 HA LEU A 75 12.120 -5.278 2.752 1.00 0.00 H new ATOM 0 HB2 LEU A 75 9.319 -6.386 3.130 1.00 0.00 H new ATOM 0 HB3 LEU A 75 10.655 -6.748 4.205 1.00 0.00 H new ATOM 0 HG LEU A 75 9.401 -4.032 3.721 1.00 0.00 H new ATOM 0 HD11 LEU A 75 8.785 -4.201 6.099 1.00 0.00 H new ATOM 0 HD12 LEU A 75 8.079 -5.522 5.139 1.00 0.00 H new ATOM 0 HD13 LEU A 75 9.500 -5.829 6.165 1.00 0.00 H new ATOM 0 HD21 LEU A 75 10.947 -3.205 5.453 1.00 0.00 H new ATOM 0 HD22 LEU A 75 11.747 -4.794 5.492 1.00 0.00 H new ATOM 0 HD23 LEU A 75 11.819 -3.798 4.019 1.00 0.00 H new ATOM 1169 N GLY A 76 10.682 -7.891 1.301 1.00 0.00 N ATOM 1170 CA GLY A 76 10.972 -9.195 0.735 1.00 0.00 C ATOM 1171 C GLY A 76 12.274 -9.214 -0.041 1.00 0.00 C ATOM 1172 O GLY A 76 12.982 -10.221 -0.055 1.00 0.00 O ATOM 0 H GLY A 76 9.700 -7.617 1.265 1.00 0.00 H new ATOM 0 HA2 GLY A 76 11.019 -9.933 1.536 1.00 0.00 H new ATOM 0 HA3 GLY A 76 10.156 -9.491 0.076 1.00 0.00 H new ATOM 1176 N ASN A 77 12.591 -8.098 -0.690 1.00 0.00 N ATOM 1177 CA ASN A 77 13.816 -7.992 -1.474 1.00 0.00 C ATOM 1178 C ASN A 77 15.030 -7.823 -0.566 1.00 0.00 C ATOM 1179 O ASN A 77 14.901 -7.780 0.657 1.00 0.00 O ATOM 1180 CB ASN A 77 13.724 -6.813 -2.444 1.00 0.00 C ATOM 1181 CG ASN A 77 12.645 -7.009 -3.492 1.00 0.00 C ATOM 1182 OD1 ASN A 77 11.710 -7.785 -3.298 1.00 0.00 O ATOM 1183 ND2 ASN A 77 12.772 -6.305 -4.611 1.00 0.00 N ATOM 0 H ASN A 77 12.017 -7.255 -0.688 1.00 0.00 H new ATOM 0 HA ASN A 77 13.935 -8.914 -2.043 1.00 0.00 H new ATOM 0 HB2 ASN A 77 13.521 -5.900 -1.884 1.00 0.00 H new ATOM 0 HB3 ASN A 77 14.686 -6.677 -2.938 1.00 0.00 H new ATOM 0 HD21 ASN A 77 12.078 -6.396 -5.352 1.00 0.00 H new ATOM 0 HD22 ASN A 77 13.564 -5.673 -4.729 1.00 0.00 H new ATOM 1190 N GLU A 78 16.209 -7.728 -1.174 1.00 0.00 N ATOM 1191 CA GLU A 78 17.446 -7.564 -0.419 1.00 0.00 C ATOM 1192 C GLU A 78 18.026 -6.168 -0.622 1.00 0.00 C ATOM 1193 O GLU A 78 18.478 -5.529 0.328 1.00 0.00 O ATOM 1194 CB GLU A 78 18.470 -8.620 -0.841 1.00 0.00 C ATOM 1195 CG GLU A 78 19.764 -8.564 -0.047 1.00 0.00 C ATOM 1196 CD GLU A 78 20.918 -9.239 -0.764 1.00 0.00 C ATOM 1197 OE1 GLU A 78 20.886 -9.305 -2.010 1.00 0.00 O ATOM 1198 OE2 GLU A 78 21.853 -9.701 -0.077 1.00 0.00 O ATOM 0 H GLU A 78 16.333 -7.762 -2.186 1.00 0.00 H new ATOM 0 HA GLU A 78 17.216 -7.693 0.639 1.00 0.00 H new ATOM 0 HB2 GLU A 78 18.027 -9.609 -0.728 1.00 0.00 H new ATOM 0 HB3 GLU A 78 18.697 -8.491 -1.899 1.00 0.00 H new ATOM 0 HG2 GLU A 78 20.021 -7.523 0.148 1.00 0.00 H new ATOM 0 HG3 GLU A 78 19.613 -9.042 0.921 1.00 0.00 H new ATOM 1205 N GLU A 79 18.010 -5.701 -1.867 1.00 0.00 N ATOM 1206 CA GLU A 79 18.536 -4.381 -2.194 1.00 0.00 C ATOM 1207 C GLU A 79 17.638 -3.283 -1.631 1.00 0.00 C ATOM 1208 O GLU A 79 18.075 -2.458 -0.828 1.00 0.00 O ATOM 1209 CB GLU A 79 18.666 -4.222 -3.711 1.00 0.00 C ATOM 1210 CG GLU A 79 18.924 -5.529 -4.440 1.00 0.00 C ATOM 1211 CD GLU A 79 17.644 -6.222 -4.866 1.00 0.00 C ATOM 1212 OE1 GLU A 79 16.613 -5.530 -5.003 1.00 0.00 O ATOM 1213 OE2 GLU A 79 17.672 -7.455 -5.062 1.00 0.00 O ATOM 0 H GLU A 79 17.639 -6.217 -2.665 1.00 0.00 H new ATOM 0 HA GLU A 79 19.523 -4.287 -1.740 1.00 0.00 H new ATOM 0 HB2 GLU A 79 17.752 -3.773 -4.100 1.00 0.00 H new ATOM 0 HB3 GLU A 79 19.479 -3.529 -3.927 1.00 0.00 H new ATOM 0 HG2 GLU A 79 19.538 -5.335 -5.320 1.00 0.00 H new ATOM 0 HG3 GLU A 79 19.495 -6.195 -3.793 1.00 0.00 H new ATOM 1220 N THR A 80 16.379 -3.278 -2.059 1.00 0.00 N ATOM 1221 CA THR A 80 15.420 -2.282 -1.600 1.00 0.00 C ATOM 1222 C THR A 80 15.213 -2.371 -0.093 1.00 0.00 C ATOM 1223 O THR A 80 14.911 -1.374 0.563 1.00 0.00 O ATOM 1224 CB THR A 80 14.060 -2.445 -2.305 1.00 0.00 C ATOM 1225 OG1 THR A 80 13.419 -3.646 -1.859 1.00 0.00 O ATOM 1226 CG2 THR A 80 14.234 -2.489 -3.815 1.00 0.00 C ATOM 0 H THR A 80 16.000 -3.953 -2.723 1.00 0.00 H new ATOM 0 HA THR A 80 15.835 -1.305 -1.849 1.00 0.00 H new ATOM 0 HB THR A 80 13.439 -1.585 -2.052 1.00 0.00 H new ATOM 0 HG1 THR A 80 13.172 -3.554 -0.915 1.00 0.00 H new ATOM 0 HG21 THR A 80 13.260 -2.605 -4.290 1.00 0.00 H new ATOM 0 HG22 THR A 80 14.696 -1.562 -4.155 1.00 0.00 H new ATOM 0 HG23 THR A 80 14.871 -3.332 -4.083 1.00 0.00 H new ATOM 1234 N LYS A 81 15.378 -3.571 0.452 1.00 0.00 N ATOM 1235 CA LYS A 81 15.212 -3.792 1.884 1.00 0.00 C ATOM 1236 C LYS A 81 16.410 -3.254 2.660 1.00 0.00 C ATOM 1237 O LYS A 81 16.263 -2.732 3.765 1.00 0.00 O ATOM 1238 CB LYS A 81 15.030 -5.283 2.174 1.00 0.00 C ATOM 1239 CG LYS A 81 14.823 -5.596 3.645 1.00 0.00 C ATOM 1240 CD LYS A 81 16.145 -5.807 4.363 1.00 0.00 C ATOM 1241 CE LYS A 81 15.934 -6.183 5.822 1.00 0.00 C ATOM 1242 NZ LYS A 81 17.134 -5.882 6.651 1.00 0.00 N ATOM 0 H LYS A 81 15.627 -4.407 -0.077 1.00 0.00 H new ATOM 0 HA LYS A 81 14.321 -3.255 2.208 1.00 0.00 H new ATOM 0 HB2 LYS A 81 14.174 -5.653 1.609 1.00 0.00 H new ATOM 0 HB3 LYS A 81 15.906 -5.824 1.816 1.00 0.00 H new ATOM 0 HG2 LYS A 81 14.278 -4.779 4.118 1.00 0.00 H new ATOM 0 HG3 LYS A 81 14.208 -6.490 3.744 1.00 0.00 H new ATOM 0 HD2 LYS A 81 16.711 -6.592 3.862 1.00 0.00 H new ATOM 0 HD3 LYS A 81 16.742 -4.897 4.303 1.00 0.00 H new ATOM 0 HE2 LYS A 81 15.075 -5.641 6.216 1.00 0.00 H new ATOM 0 HE3 LYS A 81 15.700 -7.245 5.893 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 16.951 -6.152 7.638 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 17.948 -6.419 6.291 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 17.342 -4.864 6.604 1.00 0.00 H new ATOM 1256 N LYS A 82 17.595 -3.384 2.074 1.00 0.00 N ATOM 1257 CA LYS A 82 18.819 -2.910 2.709 1.00 0.00 C ATOM 1258 C LYS A 82 18.882 -1.386 2.699 1.00 0.00 C ATOM 1259 O LYS A 82 19.387 -0.768 3.636 1.00 0.00 O ATOM 1260 CB LYS A 82 20.045 -3.486 1.995 1.00 0.00 C ATOM 1261 CG LYS A 82 21.320 -2.700 2.248 1.00 0.00 C ATOM 1262 CD LYS A 82 21.438 -1.511 1.309 1.00 0.00 C ATOM 1263 CE LYS A 82 22.891 -1.132 1.069 1.00 0.00 C ATOM 1264 NZ LYS A 82 23.541 -2.028 0.072 1.00 0.00 N ATOM 0 H LYS A 82 17.734 -3.814 1.160 1.00 0.00 H new ATOM 0 HA LYS A 82 18.816 -3.250 3.745 1.00 0.00 H new ATOM 0 HB2 LYS A 82 20.193 -4.516 2.318 1.00 0.00 H new ATOM 0 HB3 LYS A 82 19.851 -3.513 0.923 1.00 0.00 H new ATOM 0 HG2 LYS A 82 21.335 -2.352 3.281 1.00 0.00 H new ATOM 0 HG3 LYS A 82 22.183 -3.353 2.119 1.00 0.00 H new ATOM 0 HD2 LYS A 82 20.961 -1.748 0.358 1.00 0.00 H new ATOM 0 HD3 LYS A 82 20.904 -0.659 1.730 1.00 0.00 H new ATOM 0 HE2 LYS A 82 22.944 -0.101 0.720 1.00 0.00 H new ATOM 0 HE3 LYS A 82 23.439 -1.178 2.010 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 24.530 -1.737 -0.064 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 23.513 -3.009 0.417 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 23.034 -1.965 -0.834 1.00 0.00 H new ATOM 1278 N LYS A 83 18.364 -0.784 1.633 1.00 0.00 N ATOM 1279 CA LYS A 83 18.358 0.668 1.501 1.00 0.00 C ATOM 1280 C LYS A 83 17.289 1.291 2.394 1.00 0.00 C ATOM 1281 O LYS A 83 17.571 2.202 3.173 1.00 0.00 O ATOM 1282 CB LYS A 83 18.116 1.068 0.044 1.00 0.00 C ATOM 1283 CG LYS A 83 19.085 0.423 -0.932 1.00 0.00 C ATOM 1284 CD LYS A 83 18.448 0.215 -2.295 1.00 0.00 C ATOM 1285 CE LYS A 83 18.594 1.448 -3.173 1.00 0.00 C ATOM 1286 NZ LYS A 83 17.483 2.417 -2.958 1.00 0.00 N ATOM 0 H LYS A 83 17.943 -1.280 0.848 1.00 0.00 H new ATOM 0 HA LYS A 83 19.333 1.040 1.816 1.00 0.00 H new ATOM 0 HB2 LYS A 83 17.098 0.796 -0.234 1.00 0.00 H new ATOM 0 HB3 LYS A 83 18.192 2.152 -0.044 1.00 0.00 H new ATOM 0 HG2 LYS A 83 19.970 1.050 -1.035 1.00 0.00 H new ATOM 0 HG3 LYS A 83 19.418 -0.536 -0.535 1.00 0.00 H new ATOM 0 HD2 LYS A 83 18.911 -0.640 -2.787 1.00 0.00 H new ATOM 0 HD3 LYS A 83 17.391 -0.022 -2.171 1.00 0.00 H new ATOM 0 HE2 LYS A 83 19.546 1.934 -2.961 1.00 0.00 H new ATOM 0 HE3 LYS A 83 18.616 1.147 -4.220 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 17.169 2.795 -3.875 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 16.688 1.936 -2.491 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 17.815 3.198 -2.357 1.00 0.00 H new ATOM 1300 N TYR A 84 16.063 0.793 2.277 1.00 0.00 N ATOM 1301 CA TYR A 84 14.952 1.301 3.072 1.00 0.00 C ATOM 1302 C TYR A 84 15.303 1.307 4.557 1.00 0.00 C ATOM 1303 O TYR A 84 15.080 2.296 5.255 1.00 0.00 O ATOM 1304 CB TYR A 84 13.700 0.456 2.837 1.00 0.00 C ATOM 1305 CG TYR A 84 12.519 0.873 3.684 1.00 0.00 C ATOM 1306 CD1 TYR A 84 11.834 2.053 3.422 1.00 0.00 C ATOM 1307 CD2 TYR A 84 12.089 0.088 4.747 1.00 0.00 C ATOM 1308 CE1 TYR A 84 10.755 2.439 4.194 1.00 0.00 C ATOM 1309 CE2 TYR A 84 11.011 0.465 5.523 1.00 0.00 C ATOM 1310 CZ TYR A 84 10.347 1.642 5.243 1.00 0.00 C ATOM 1311 OH TYR A 84 9.273 2.021 6.015 1.00 0.00 O ATOM 0 H TYR A 84 15.814 0.037 1.639 1.00 0.00 H new ATOM 0 HA TYR A 84 14.754 2.326 2.759 1.00 0.00 H new ATOM 0 HB2 TYR A 84 13.422 0.519 1.785 1.00 0.00 H new ATOM 0 HB3 TYR A 84 13.933 -0.589 3.043 1.00 0.00 H new ATOM 0 HD1 TYR A 84 12.150 2.679 2.601 1.00 0.00 H new ATOM 0 HD2 TYR A 84 12.607 -0.833 4.970 1.00 0.00 H new ATOM 0 HE1 TYR A 84 10.234 3.360 3.977 1.00 0.00 H new ATOM 0 HE2 TYR A 84 10.689 -0.158 6.345 1.00 0.00 H new ATOM 0 HH TYR A 84 8.661 2.567 5.478 1.00 0.00 H new ATOM 1321 N ASP A 85 15.855 0.196 5.032 1.00 0.00 N ATOM 1322 CA ASP A 85 16.240 0.072 6.433 1.00 0.00 C ATOM 1323 C ASP A 85 17.073 1.271 6.876 1.00 0.00 C ATOM 1324 O ASP A 85 17.038 1.669 8.041 1.00 0.00 O ATOM 1325 CB ASP A 85 17.026 -1.221 6.656 1.00 0.00 C ATOM 1326 CG ASP A 85 16.126 -2.398 6.976 1.00 0.00 C ATOM 1327 OD1 ASP A 85 15.404 -2.857 6.067 1.00 0.00 O ATOM 1328 OD2 ASP A 85 16.142 -2.859 8.137 1.00 0.00 O ATOM 0 H ASP A 85 16.046 -0.632 4.467 1.00 0.00 H new ATOM 0 HA ASP A 85 15.330 0.043 7.033 1.00 0.00 H new ATOM 0 HB2 ASP A 85 17.610 -1.446 5.764 1.00 0.00 H new ATOM 0 HB3 ASP A 85 17.734 -1.076 7.472 1.00 0.00 H new ATOM 1333 N LEU A 86 17.823 1.842 5.940 1.00 0.00 N ATOM 1334 CA LEU A 86 18.666 2.996 6.233 1.00 0.00 C ATOM 1335 C LEU A 86 17.848 4.283 6.235 1.00 0.00 C ATOM 1336 O LEU A 86 18.075 5.172 7.055 1.00 0.00 O ATOM 1337 CB LEU A 86 19.797 3.099 5.209 1.00 0.00 C ATOM 1338 CG LEU A 86 20.958 2.119 5.389 1.00 0.00 C ATOM 1339 CD1 LEU A 86 21.707 1.933 4.079 1.00 0.00 C ATOM 1340 CD2 LEU A 86 21.901 2.604 6.480 1.00 0.00 C ATOM 0 H LEU A 86 17.865 1.525 4.972 1.00 0.00 H new ATOM 0 HA LEU A 86 19.094 2.859 7.226 1.00 0.00 H new ATOM 0 HB2 LEU A 86 19.375 2.952 4.215 1.00 0.00 H new ATOM 0 HB3 LEU A 86 20.196 4.113 5.239 1.00 0.00 H new ATOM 0 HG LEU A 86 20.550 1.154 5.691 1.00 0.00 H new ATOM 0 HD11 LEU A 86 22.529 1.233 4.226 1.00 0.00 H new ATOM 0 HD12 LEU A 86 21.027 1.540 3.323 1.00 0.00 H new ATOM 0 HD13 LEU A 86 22.103 2.893 3.747 1.00 0.00 H new ATOM 0 HD21 LEU A 86 22.721 1.895 6.594 1.00 0.00 H new ATOM 0 HD22 LEU A 86 22.301 3.580 6.207 1.00 0.00 H new ATOM 0 HD23 LEU A 86 21.357 2.685 7.421 1.00 0.00 H new ATOM 1352 N GLN A 87 16.894 4.373 5.314 1.00 0.00 N ATOM 1353 CA GLN A 87 16.041 5.551 5.211 1.00 0.00 C ATOM 1354 C GLN A 87 15.387 5.868 6.552 1.00 0.00 C ATOM 1355 O GLN A 87 15.283 7.031 6.943 1.00 0.00 O ATOM 1356 CB GLN A 87 14.966 5.336 4.144 1.00 0.00 C ATOM 1357 CG GLN A 87 15.394 5.771 2.752 1.00 0.00 C ATOM 1358 CD GLN A 87 15.442 7.278 2.600 1.00 0.00 C ATOM 1359 OE1 GLN A 87 16.115 7.970 3.366 1.00 0.00 O ATOM 1360 NE2 GLN A 87 14.727 7.797 1.609 1.00 0.00 N ATOM 0 H GLN A 87 16.692 3.645 4.629 1.00 0.00 H new ATOM 0 HA GLN A 87 16.665 6.397 4.923 1.00 0.00 H new ATOM 0 HB2 GLN A 87 14.697 4.280 4.119 1.00 0.00 H new ATOM 0 HB3 GLN A 87 14.069 5.887 4.428 1.00 0.00 H new ATOM 0 HG2 GLN A 87 16.378 5.356 2.532 1.00 0.00 H new ATOM 0 HG3 GLN A 87 14.703 5.358 2.018 1.00 0.00 H new ATOM 0 HE21 GLN A 87 14.184 7.187 0.998 1.00 0.00 H new ATOM 0 HE22 GLN A 87 14.721 8.806 1.459 1.00 0.00 H new ATOM 1369 N ARG A 88 14.949 4.827 7.252 1.00 0.00 N ATOM 1370 CA ARG A 88 14.304 4.996 8.549 1.00 0.00 C ATOM 1371 C ARG A 88 15.095 5.959 9.429 1.00 0.00 C ATOM 1372 O ARG A 88 16.133 5.599 9.983 1.00 0.00 O ATOM 1373 CB ARG A 88 14.164 3.644 9.252 1.00 0.00 C ATOM 1374 CG ARG A 88 13.544 2.565 8.379 1.00 0.00 C ATOM 1375 CD ARG A 88 13.210 1.320 9.186 1.00 0.00 C ATOM 1376 NE ARG A 88 14.350 0.414 9.291 1.00 0.00 N ATOM 1377 CZ ARG A 88 15.318 0.553 10.190 1.00 0.00 C ATOM 1378 NH1 ARG A 88 15.284 1.556 11.056 1.00 0.00 N ATOM 1379 NH2 ARG A 88 16.323 -0.313 10.223 1.00 0.00 N ATOM 0 H ARG A 88 15.029 3.858 6.943 1.00 0.00 H new ATOM 0 HA ARG A 88 13.312 5.416 8.381 1.00 0.00 H new ATOM 0 HB2 ARG A 88 15.148 3.312 9.582 1.00 0.00 H new ATOM 0 HB3 ARG A 88 13.554 3.771 10.147 1.00 0.00 H new ATOM 0 HG2 ARG A 88 12.638 2.950 7.910 1.00 0.00 H new ATOM 0 HG3 ARG A 88 14.233 2.305 7.575 1.00 0.00 H new ATOM 0 HD2 ARG A 88 12.886 1.612 10.185 1.00 0.00 H new ATOM 0 HD3 ARG A 88 12.374 0.799 8.719 1.00 0.00 H new ATOM 0 HE ARG A 88 14.406 -0.368 8.639 1.00 0.00 H new ATOM 0 HH11 ARG A 88 14.513 2.224 11.033 1.00 0.00 H new ATOM 0 HH12 ARG A 88 16.029 1.660 11.745 1.00 0.00 H new ATOM 0 HH21 ARG A 88 16.352 -1.086 9.558 1.00 0.00 H new ATOM 0 HH22 ARG A 88 17.066 -0.206 10.913 1.00 0.00 H new ATOM 1393 N SER A 89 14.598 7.186 9.551 1.00 0.00 N ATOM 1394 CA SER A 89 15.260 8.203 10.359 1.00 0.00 C ATOM 1395 C SER A 89 14.529 8.406 11.682 1.00 0.00 C ATOM 1396 O SER A 89 13.302 8.347 11.742 1.00 0.00 O ATOM 1397 CB SER A 89 15.332 9.526 9.594 1.00 0.00 C ATOM 1398 OG SER A 89 14.037 9.978 9.236 1.00 0.00 O ATOM 0 H SER A 89 13.739 7.500 9.100 1.00 0.00 H new ATOM 0 HA SER A 89 16.272 7.860 10.572 1.00 0.00 H new ATOM 0 HB2 SER A 89 15.827 10.279 10.208 1.00 0.00 H new ATOM 0 HB3 SER A 89 15.937 9.399 8.697 1.00 0.00 H new ATOM 0 HG SER A 89 14.109 10.826 8.750 1.00 0.00 H new ATOM 1404 N GLY A 90 15.294 8.645 12.743 1.00 0.00 N ATOM 1405 CA GLY A 90 14.703 8.854 14.052 1.00 0.00 C ATOM 1406 C GLY A 90 15.741 8.917 15.154 1.00 0.00 C ATOM 1407 O GLY A 90 16.852 8.402 15.020 1.00 0.00 O ATOM 0 H GLY A 90 16.312 8.698 12.719 1.00 0.00 H new ATOM 0 HA2 GLY A 90 14.129 9.781 14.044 1.00 0.00 H new ATOM 0 HA3 GLY A 90 14.002 8.047 14.264 1.00 0.00 H new ATOM 1411 N PRO A 91 15.383 9.563 16.274 1.00 0.00 N ATOM 1412 CA PRO A 91 16.279 9.708 17.425 1.00 0.00 C ATOM 1413 C PRO A 91 16.515 8.385 18.147 1.00 0.00 C ATOM 1414 O PRO A 91 17.286 8.319 19.104 1.00 0.00 O ATOM 1415 CB PRO A 91 15.533 10.688 18.334 1.00 0.00 C ATOM 1416 CG PRO A 91 14.098 10.523 17.971 1.00 0.00 C ATOM 1417 CD PRO A 91 14.076 10.201 16.503 1.00 0.00 C ATOM 0 HA PRO A 91 17.271 10.050 17.129 1.00 0.00 H new ATOM 0 HB2 PRO A 91 15.704 10.461 19.386 1.00 0.00 H new ATOM 0 HB3 PRO A 91 15.867 11.713 18.171 1.00 0.00 H new ATOM 0 HG2 PRO A 91 13.638 9.724 18.553 1.00 0.00 H new ATOM 0 HG3 PRO A 91 13.536 11.433 18.179 1.00 0.00 H new ATOM 0 HD2 PRO A 91 13.253 9.533 16.251 1.00 0.00 H new ATOM 0 HD3 PRO A 91 13.955 11.099 15.896 1.00 0.00 H new ATOM 1425 N SER A 92 15.847 7.335 17.681 1.00 0.00 N ATOM 1426 CA SER A 92 15.982 6.014 18.284 1.00 0.00 C ATOM 1427 C SER A 92 17.449 5.675 18.527 1.00 0.00 C ATOM 1428 O SER A 92 18.281 5.787 17.627 1.00 0.00 O ATOM 1429 CB SER A 92 15.344 4.953 17.386 1.00 0.00 C ATOM 1430 OG SER A 92 15.077 3.765 18.112 1.00 0.00 O ATOM 0 H SER A 92 15.207 7.373 16.888 1.00 0.00 H new ATOM 0 HA SER A 92 15.466 6.026 19.244 1.00 0.00 H new ATOM 0 HB2 SER A 92 14.417 5.340 16.962 1.00 0.00 H new ATOM 0 HB3 SER A 92 16.008 4.731 16.551 1.00 0.00 H new ATOM 0 HG SER A 92 14.668 3.103 17.517 1.00 0.00 H new ATOM 1436 N SER A 93 17.759 5.261 19.752 1.00 0.00 N ATOM 1437 CA SER A 93 19.127 4.909 20.117 1.00 0.00 C ATOM 1438 C SER A 93 19.823 4.178 18.973 1.00 0.00 C ATOM 1439 O SER A 93 20.813 4.660 18.425 1.00 0.00 O ATOM 1440 CB SER A 93 19.133 4.037 21.374 1.00 0.00 C ATOM 1441 OG SER A 93 20.327 4.220 22.115 1.00 0.00 O ATOM 0 H SER A 93 17.082 5.161 20.508 1.00 0.00 H new ATOM 0 HA SER A 93 19.672 5.831 20.321 1.00 0.00 H new ATOM 0 HB2 SER A 93 18.273 4.285 21.997 1.00 0.00 H new ATOM 0 HB3 SER A 93 19.032 2.988 21.094 1.00 0.00 H new ATOM 0 HG SER A 93 20.306 3.653 22.914 1.00 0.00 H new ATOM 1447 N GLY A 94 19.296 3.010 18.618 1.00 0.00 N ATOM 1448 CA GLY A 94 19.879 2.229 17.542 1.00 0.00 C ATOM 1449 C GLY A 94 19.440 2.711 16.174 1.00 0.00 C ATOM 1450 O GLY A 94 19.403 3.914 15.914 1.00 0.00 O ATOM 0 H GLY A 94 18.476 2.591 19.056 1.00 0.00 H new ATOM 0 HA2 GLY A 94 20.966 2.277 17.610 1.00 0.00 H new ATOM 0 HA3 GLY A 94 19.598 1.183 17.663 1.00 0.00 H new TER 1454 GLY A 94