USER MOD reduce.3.24.130724 H: found=0, std=0, add=670, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 665 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 39 HIS : no HD1:sc= -8.63! C(o=-11!,f=-15!) USER MOD Set 1.2: A 63 HIS : no HE2:sc= -2.1! C(o=-11!,f=-21!) USER MOD Set 2.1: A 15 HIS :FLIP no HD1:sc= -9.94! C(o=-11!,f=-9.9!) USER MOD Set 2.2: A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 TYR OH : rot 123:sc= -1.49 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 GLN :FLIP amide:sc= -1.14 F(o=-3.4!,f=-1.1) USER MOD Single : A 14 LYS NZ :NH3+ -162:sc=-0.000673 (180deg=-0.0905) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 SER OG : rot 180:sc=-0.000388 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 THR OG1 : rot 52:sc= -0.625! USER MOD Single : A 26 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 27 HIS : no HD1:sc= -1.95 K(o=-1.9,f=-3.3!) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot -63:sc= 0.427 USER MOD Single : A 34 LYS NZ :NH3+ -167:sc= 1.22 (180deg=1.05) USER MOD Single : A 49 GLN : amide:sc= -1.12 X(o=-1.1,f=-1.4!) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 ASN : amide:sc= -1.45 X(o=-1.4,f=-1.9!) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot 170:sc= -0.08 USER MOD Single : A 72 LYS NZ :NH3+ -159:sc= 0.0901 (180deg=0.00433) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 HIS : no HD1:sc= -3.29! C(o=-3.3!,f=-5!) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 4 14.963 12.734 -27.074 1.00 0.00 N ATOM 2 CA VAL A 4 14.548 13.764 -26.137 1.00 0.00 C ATOM 3 C VAL A 4 15.700 14.069 -25.178 1.00 0.00 C ATOM 4 O VAL A 4 16.659 13.304 -25.090 1.00 0.00 O ATOM 5 CB VAL A 4 13.269 13.331 -25.416 1.00 0.00 C ATOM 6 CG1 VAL A 4 13.553 12.993 -23.952 1.00 0.00 C ATOM 7 CG2 VAL A 4 12.185 14.404 -25.531 1.00 0.00 C ATOM 0 HA VAL A 4 14.311 14.688 -26.665 1.00 0.00 H new ATOM 0 HB VAL A 4 12.899 12.428 -25.902 1.00 0.00 H new ATOM 0 HG11 VAL A 4 12.628 12.688 -23.463 1.00 0.00 H new ATOM 0 HG12 VAL A 4 14.276 12.179 -23.900 1.00 0.00 H new ATOM 0 HG13 VAL A 4 13.958 13.870 -23.448 1.00 0.00 H new ATOM 0 HG21 VAL A 4 11.287 14.071 -25.010 1.00 0.00 H new ATOM 0 HG22 VAL A 4 12.542 15.331 -25.083 1.00 0.00 H new ATOM 0 HG23 VAL A 4 11.953 14.575 -26.582 1.00 0.00 H new ATOM 17 N LYS A 5 15.568 15.190 -24.485 1.00 0.00 N ATOM 18 CA LYS A 5 16.587 15.608 -23.536 1.00 0.00 C ATOM 19 C LYS A 5 16.335 14.924 -22.191 1.00 0.00 C ATOM 20 O LYS A 5 15.195 14.847 -21.734 1.00 0.00 O ATOM 21 CB LYS A 5 16.646 17.134 -23.449 1.00 0.00 C ATOM 22 CG LYS A 5 18.092 17.631 -23.500 1.00 0.00 C ATOM 23 CD LYS A 5 18.207 19.043 -22.922 1.00 0.00 C ATOM 24 CE LYS A 5 18.698 20.031 -23.984 1.00 0.00 C ATOM 25 NZ LYS A 5 20.061 20.506 -23.659 1.00 0.00 N ATOM 0 H LYS A 5 14.771 15.822 -24.561 1.00 0.00 H new ATOM 0 HA LYS A 5 17.574 15.294 -23.874 1.00 0.00 H new ATOM 0 HB2 LYS A 5 16.078 17.571 -24.271 1.00 0.00 H new ATOM 0 HB3 LYS A 5 16.176 17.467 -22.524 1.00 0.00 H new ATOM 0 HG2 LYS A 5 18.734 16.951 -22.940 1.00 0.00 H new ATOM 0 HG3 LYS A 5 18.446 17.626 -24.531 1.00 0.00 H new ATOM 0 HD2 LYS A 5 17.237 19.364 -22.541 1.00 0.00 H new ATOM 0 HD3 LYS A 5 18.896 19.039 -22.077 1.00 0.00 H new ATOM 0 HE2 LYS A 5 18.697 19.552 -24.963 1.00 0.00 H new ATOM 0 HE3 LYS A 5 18.016 20.879 -24.044 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 20.379 21.175 -24.389 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 20.052 20.982 -22.734 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 20.712 19.696 -23.625 1.00 0.00 H new ATOM 39 N TYR A 6 17.416 14.446 -21.594 1.00 0.00 N ATOM 40 CA TYR A 6 17.326 13.771 -20.310 1.00 0.00 C ATOM 41 C TYR A 6 17.539 14.755 -19.158 1.00 0.00 C ATOM 42 O TYR A 6 18.672 14.996 -18.744 1.00 0.00 O ATOM 43 CB TYR A 6 18.454 12.738 -20.298 1.00 0.00 C ATOM 44 CG TYR A 6 18.156 11.482 -21.119 1.00 0.00 C ATOM 45 CD1 TYR A 6 16.911 10.891 -21.051 1.00 0.00 C ATOM 46 CD2 TYR A 6 19.133 10.939 -21.930 1.00 0.00 C ATOM 47 CE1 TYR A 6 16.631 9.709 -21.824 1.00 0.00 C ATOM 48 CE2 TYR A 6 18.853 9.757 -22.703 1.00 0.00 C ATOM 49 CZ TYR A 6 17.616 9.201 -22.612 1.00 0.00 C ATOM 50 OH TYR A 6 17.351 8.084 -23.343 1.00 0.00 O ATOM 0 H TYR A 6 18.360 14.512 -21.975 1.00 0.00 H new ATOM 0 HA TYR A 6 16.343 13.318 -20.182 1.00 0.00 H new ATOM 0 HB2 TYR A 6 19.363 13.203 -20.681 1.00 0.00 H new ATOM 0 HB3 TYR A 6 18.655 12.447 -19.267 1.00 0.00 H new ATOM 0 HD1 TYR A 6 16.146 11.315 -20.418 1.00 0.00 H new ATOM 0 HD2 TYR A 6 20.108 11.401 -21.984 1.00 0.00 H new ATOM 0 HE1 TYR A 6 15.661 9.237 -21.779 1.00 0.00 H new ATOM 0 HE2 TYR A 6 19.609 9.322 -23.341 1.00 0.00 H new ATOM 0 HH TYR A 6 18.146 7.835 -23.859 1.00 0.00 H new ATOM 60 N TYR A 7 16.432 15.297 -18.673 1.00 0.00 N ATOM 61 CA TYR A 7 16.483 16.249 -17.576 1.00 0.00 C ATOM 62 C TYR A 7 16.089 15.586 -16.255 1.00 0.00 C ATOM 63 O TYR A 7 15.057 14.924 -16.172 1.00 0.00 O ATOM 64 CB TYR A 7 15.459 17.335 -17.913 1.00 0.00 C ATOM 65 CG TYR A 7 14.577 17.006 -19.119 1.00 0.00 C ATOM 66 CD1 TYR A 7 13.504 16.150 -18.977 1.00 0.00 C ATOM 67 CD2 TYR A 7 14.854 17.566 -20.349 1.00 0.00 C ATOM 68 CE1 TYR A 7 12.674 15.840 -20.113 1.00 0.00 C ATOM 69 CE2 TYR A 7 14.025 17.257 -21.484 1.00 0.00 C ATOM 70 CZ TYR A 7 12.975 16.410 -21.310 1.00 0.00 C ATOM 71 OH TYR A 7 12.191 16.117 -22.383 1.00 0.00 O ATOM 0 H TYR A 7 15.494 15.095 -19.019 1.00 0.00 H new ATOM 0 HA TYR A 7 17.491 16.646 -17.459 1.00 0.00 H new ATOM 0 HB2 TYR A 7 14.822 17.501 -17.044 1.00 0.00 H new ATOM 0 HB3 TYR A 7 15.986 18.270 -18.105 1.00 0.00 H new ATOM 0 HD1 TYR A 7 13.286 15.712 -18.014 1.00 0.00 H new ATOM 0 HD2 TYR A 7 15.693 18.237 -20.460 1.00 0.00 H new ATOM 0 HE1 TYR A 7 11.832 15.170 -20.016 1.00 0.00 H new ATOM 0 HE2 TYR A 7 14.232 17.688 -22.452 1.00 0.00 H new ATOM 0 HH TYR A 7 11.827 16.946 -22.759 1.00 0.00 H new ATOM 81 N THR A 8 16.935 15.786 -15.254 1.00 0.00 N ATOM 82 CA THR A 8 16.689 15.215 -13.941 1.00 0.00 C ATOM 83 C THR A 8 15.695 16.079 -13.163 1.00 0.00 C ATOM 84 O THR A 8 15.444 17.226 -13.528 1.00 0.00 O ATOM 85 CB THR A 8 18.037 15.054 -13.235 1.00 0.00 C ATOM 86 OG1 THR A 8 18.494 16.391 -13.049 1.00 0.00 O ATOM 87 CG2 THR A 8 19.099 14.420 -14.138 1.00 0.00 C ATOM 0 H THR A 8 17.791 16.336 -15.327 1.00 0.00 H new ATOM 0 HA THR A 8 16.227 14.231 -14.017 1.00 0.00 H new ATOM 0 HB THR A 8 17.908 14.443 -12.342 1.00 0.00 H new ATOM 0 HG1 THR A 8 19.363 16.380 -12.596 1.00 0.00 H new ATOM 0 HG21 THR A 8 20.036 14.328 -13.589 1.00 0.00 H new ATOM 0 HG22 THR A 8 18.765 13.431 -14.454 1.00 0.00 H new ATOM 0 HG23 THR A 8 19.253 15.048 -15.015 1.00 0.00 H new ATOM 95 N LEU A 9 15.156 15.494 -12.103 1.00 0.00 N ATOM 96 CA LEU A 9 14.195 16.195 -11.269 1.00 0.00 C ATOM 97 C LEU A 9 14.651 17.644 -11.079 1.00 0.00 C ATOM 98 O LEU A 9 13.829 18.558 -11.048 1.00 0.00 O ATOM 99 CB LEU A 9 13.976 15.444 -9.955 1.00 0.00 C ATOM 100 CG LEU A 9 13.069 14.214 -10.029 1.00 0.00 C ATOM 101 CD1 LEU A 9 13.383 13.374 -11.268 1.00 0.00 C ATOM 102 CD2 LEU A 9 13.155 13.391 -8.741 1.00 0.00 C ATOM 0 H LEU A 9 15.367 14.542 -11.803 1.00 0.00 H new ATOM 0 HA LEU A 9 13.221 16.227 -11.757 1.00 0.00 H new ATOM 0 HB2 LEU A 9 14.947 15.132 -9.571 1.00 0.00 H new ATOM 0 HB3 LEU A 9 13.555 16.139 -9.228 1.00 0.00 H new ATOM 0 HG LEU A 9 12.038 14.555 -10.125 1.00 0.00 H new ATOM 0 HD11 LEU A 9 12.724 12.506 -11.296 1.00 0.00 H new ATOM 0 HD12 LEU A 9 13.229 13.975 -12.164 1.00 0.00 H new ATOM 0 HD13 LEU A 9 14.420 13.041 -11.228 1.00 0.00 H new ATOM 0 HD21 LEU A 9 12.501 12.523 -8.820 1.00 0.00 H new ATOM 0 HD22 LEU A 9 14.182 13.059 -8.589 1.00 0.00 H new ATOM 0 HD23 LEU A 9 12.843 14.005 -7.896 1.00 0.00 H new ATOM 114 N GLU A 10 15.960 17.807 -10.959 1.00 0.00 N ATOM 115 CA GLU A 10 16.536 19.129 -10.774 1.00 0.00 C ATOM 116 C GLU A 10 15.947 20.111 -11.788 1.00 0.00 C ATOM 117 O GLU A 10 15.965 21.321 -11.568 1.00 0.00 O ATOM 118 CB GLU A 10 18.062 19.081 -10.878 1.00 0.00 C ATOM 119 CG GLU A 10 18.712 19.944 -9.795 1.00 0.00 C ATOM 120 CD GLU A 10 20.144 19.482 -9.513 1.00 0.00 C ATOM 121 OE1 GLU A 10 20.282 18.452 -8.819 1.00 0.00 O ATOM 122 OE2 GLU A 10 21.068 20.171 -9.998 1.00 0.00 O ATOM 0 H GLU A 10 16.639 17.046 -10.986 1.00 0.00 H new ATOM 0 HA GLU A 10 16.284 19.478 -9.772 1.00 0.00 H new ATOM 0 HB2 GLU A 10 18.405 18.051 -10.781 1.00 0.00 H new ATOM 0 HB3 GLU A 10 18.374 19.430 -11.862 1.00 0.00 H new ATOM 0 HG2 GLU A 10 18.718 20.987 -10.111 1.00 0.00 H new ATOM 0 HG3 GLU A 10 18.122 19.891 -8.880 1.00 0.00 H new ATOM 129 N GLU A 11 15.439 19.553 -12.878 1.00 0.00 N ATOM 130 CA GLU A 11 14.846 20.365 -13.927 1.00 0.00 C ATOM 131 C GLU A 11 13.332 20.459 -13.733 1.00 0.00 C ATOM 132 O GLU A 11 12.778 21.554 -13.663 1.00 0.00 O ATOM 133 CB GLU A 11 15.188 19.809 -15.310 1.00 0.00 C ATOM 134 CG GLU A 11 16.697 19.612 -15.464 1.00 0.00 C ATOM 135 CD GLU A 11 17.463 20.850 -14.993 1.00 0.00 C ATOM 136 OE1 GLU A 11 17.699 20.940 -13.769 1.00 0.00 O ATOM 137 OE2 GLU A 11 17.795 21.679 -15.868 1.00 0.00 O ATOM 0 H GLU A 11 15.426 18.549 -13.057 1.00 0.00 H new ATOM 0 HA GLU A 11 15.264 21.370 -13.862 1.00 0.00 H new ATOM 0 HB2 GLU A 11 14.676 18.858 -15.460 1.00 0.00 H new ATOM 0 HB3 GLU A 11 14.826 20.491 -16.080 1.00 0.00 H new ATOM 0 HG2 GLU A 11 17.014 18.743 -14.888 1.00 0.00 H new ATOM 0 HG3 GLU A 11 16.936 19.407 -16.508 1.00 0.00 H new ATOM 144 N ILE A 12 12.704 19.295 -13.652 1.00 0.00 N ATOM 145 CA ILE A 12 11.264 19.232 -13.467 1.00 0.00 C ATOM 146 C ILE A 12 10.888 19.955 -12.172 1.00 0.00 C ATOM 147 O ILE A 12 9.812 20.543 -12.076 1.00 0.00 O ATOM 148 CB ILE A 12 10.780 17.781 -13.524 1.00 0.00 C ATOM 149 CG1 ILE A 12 11.179 17.121 -14.845 1.00 0.00 C ATOM 150 CG2 ILE A 12 9.273 17.696 -13.274 1.00 0.00 C ATOM 151 CD1 ILE A 12 12.353 16.160 -14.645 1.00 0.00 C ATOM 0 H ILE A 12 13.166 18.388 -13.711 1.00 0.00 H new ATOM 0 HA ILE A 12 10.752 19.747 -14.280 1.00 0.00 H new ATOM 0 HB ILE A 12 11.272 17.226 -12.725 1.00 0.00 H new ATOM 0 HG12 ILE A 12 10.327 16.580 -15.257 1.00 0.00 H new ATOM 0 HG13 ILE A 12 11.451 17.887 -15.571 1.00 0.00 H new ATOM 0 HG21 ILE A 12 8.955 16.655 -13.320 1.00 0.00 H new ATOM 0 HG22 ILE A 12 9.044 18.102 -12.289 1.00 0.00 H new ATOM 0 HG23 ILE A 12 8.745 18.271 -14.035 1.00 0.00 H new ATOM 0 HD11 ILE A 12 12.617 15.704 -15.599 1.00 0.00 H new ATOM 0 HD12 ILE A 12 13.210 16.709 -14.256 1.00 0.00 H new ATOM 0 HD13 ILE A 12 12.069 15.381 -13.937 1.00 0.00 H new ATOM 163 N GLN A 13 11.796 19.888 -11.209 1.00 0.00 N ATOM 164 CA GLN A 13 11.573 20.529 -9.925 1.00 0.00 C ATOM 165 C GLN A 13 11.260 22.014 -10.121 1.00 0.00 C ATOM 166 O GLN A 13 10.378 22.559 -9.457 1.00 0.00 O ATOM 167 CB GLN A 13 12.777 20.340 -9.001 1.00 0.00 C ATOM 168 CG GLN A 13 12.658 19.041 -8.202 1.00 0.00 C ATOM 169 CD GLN A 13 11.481 19.103 -7.227 1.00 0.00 C ATOM 170 OE1 GLN A 13 10.344 18.620 -7.718 1.00 0.00 O flip ATOM 171 NE2 GLN A 13 11.599 19.560 -6.102 1.00 0.00 N flip ATOM 0 H GLN A 13 12.687 19.399 -11.293 1.00 0.00 H new ATOM 0 HA GLN A 13 10.714 20.056 -9.449 1.00 0.00 H new ATOM 0 HB2 GLN A 13 13.693 20.325 -9.591 1.00 0.00 H new ATOM 0 HB3 GLN A 13 12.851 21.186 -8.317 1.00 0.00 H new ATOM 0 HG2 GLN A 13 12.526 18.201 -8.884 1.00 0.00 H new ATOM 0 HG3 GLN A 13 13.582 18.862 -7.652 1.00 0.00 H new ATOM 0 HE21 GLN A 13 12.502 19.915 -5.788 1.00 0.00 H new ATOM 0 HE22 GLN A 13 10.794 19.587 -5.476 1.00 0.00 H new ATOM 180 N LYS A 14 11.998 22.627 -11.033 1.00 0.00 N ATOM 181 CA LYS A 14 11.811 24.038 -11.324 1.00 0.00 C ATOM 182 C LYS A 14 10.526 24.221 -12.134 1.00 0.00 C ATOM 183 O LYS A 14 10.109 25.348 -12.398 1.00 0.00 O ATOM 184 CB LYS A 14 13.053 24.615 -12.005 1.00 0.00 C ATOM 185 CG LYS A 14 13.618 25.794 -11.211 1.00 0.00 C ATOM 186 CD LYS A 14 14.917 26.306 -11.836 1.00 0.00 C ATOM 187 CE LYS A 14 16.113 26.023 -10.924 1.00 0.00 C ATOM 188 NZ LYS A 14 16.051 26.868 -9.710 1.00 0.00 N ATOM 0 H LYS A 14 12.728 22.172 -11.581 1.00 0.00 H new ATOM 0 HA LYS A 14 11.691 24.604 -10.400 1.00 0.00 H new ATOM 0 HB2 LYS A 14 13.813 23.839 -12.101 1.00 0.00 H new ATOM 0 HB3 LYS A 14 12.800 24.940 -13.014 1.00 0.00 H new ATOM 0 HG2 LYS A 14 12.884 26.599 -11.178 1.00 0.00 H new ATOM 0 HG3 LYS A 14 13.802 25.488 -10.181 1.00 0.00 H new ATOM 0 HD2 LYS A 14 15.072 25.829 -12.804 1.00 0.00 H new ATOM 0 HD3 LYS A 14 14.839 27.378 -12.018 1.00 0.00 H new ATOM 0 HE2 LYS A 14 16.121 24.970 -10.641 1.00 0.00 H new ATOM 0 HE3 LYS A 14 17.041 26.216 -11.462 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 16.988 26.898 -9.260 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 15.761 27.832 -9.972 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 15.360 26.468 -9.044 1.00 0.00 H new ATOM 202 N HIS A 15 9.933 23.096 -12.504 1.00 0.00 N ATOM 203 CA HIS A 15 8.703 23.118 -13.278 1.00 0.00 C ATOM 204 C HIS A 15 7.537 22.654 -12.402 1.00 0.00 C ATOM 205 O HIS A 15 6.704 21.861 -12.839 1.00 0.00 O ATOM 206 CB HIS A 15 8.850 22.289 -14.556 1.00 0.00 C ATOM 207 CG HIS A 15 9.965 22.751 -15.463 1.00 0.00 C ATOM 208 ND1 HIS A 15 11.160 22.170 -15.773 1.00 0.00 N flip ATOM 209 CD2 HIS A 15 9.916 23.942 -16.165 1.00 0.00 C flip ATOM 210 CE1 HIS A 15 11.804 22.963 -16.621 1.00 0.00 C flip ATOM 211 NE2 HIS A 15 11.035 24.063 -16.863 1.00 0.00 N flip ATOM 0 H HIS A 15 10.281 22.163 -12.282 1.00 0.00 H new ATOM 0 HA HIS A 15 8.489 24.138 -13.598 1.00 0.00 H new ATOM 0 HB2 HIS A 15 9.025 21.248 -14.284 1.00 0.00 H new ATOM 0 HB3 HIS A 15 7.910 22.321 -15.107 1.00 0.00 H new ATOM 0 HD2 HIS A 15 9.103 24.653 -16.147 1.00 0.00 H new ATOM 0 HE1 HIS A 15 12.777 22.769 -17.049 1.00 0.00 H new ATOM 0 HE2 HIS A 15 11.279 24.842 -17.474 1.00 0.00 H new ATOM 219 N LYS A 16 7.514 23.169 -11.182 1.00 0.00 N ATOM 220 CA LYS A 16 6.465 22.819 -10.240 1.00 0.00 C ATOM 221 C LYS A 16 5.557 24.030 -10.021 1.00 0.00 C ATOM 222 O LYS A 16 5.409 24.504 -8.896 1.00 0.00 O ATOM 223 CB LYS A 16 7.067 22.260 -8.949 1.00 0.00 C ATOM 224 CG LYS A 16 5.970 21.865 -7.958 1.00 0.00 C ATOM 225 CD LYS A 16 6.447 22.038 -6.515 1.00 0.00 C ATOM 226 CE LYS A 16 5.715 21.077 -5.577 1.00 0.00 C ATOM 227 NZ LYS A 16 6.570 19.910 -5.261 1.00 0.00 N ATOM 0 H LYS A 16 8.206 23.827 -10.824 1.00 0.00 H new ATOM 0 HA LYS A 16 5.842 22.022 -10.644 1.00 0.00 H new ATOM 0 HB2 LYS A 16 7.685 21.392 -9.178 1.00 0.00 H new ATOM 0 HB3 LYS A 16 7.720 23.006 -8.496 1.00 0.00 H new ATOM 0 HG2 LYS A 16 5.084 22.477 -8.128 1.00 0.00 H new ATOM 0 HG3 LYS A 16 5.679 20.828 -8.127 1.00 0.00 H new ATOM 0 HD2 LYS A 16 7.521 21.859 -6.459 1.00 0.00 H new ATOM 0 HD3 LYS A 16 6.278 23.066 -6.193 1.00 0.00 H new ATOM 0 HE2 LYS A 16 5.441 21.595 -4.658 1.00 0.00 H new ATOM 0 HE3 LYS A 16 4.788 20.741 -6.042 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 6.058 19.267 -4.623 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 6.810 19.408 -6.139 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 7.443 20.234 -4.798 1.00 0.00 H new ATOM 241 N ASP A 17 4.971 24.496 -11.114 1.00 0.00 N ATOM 242 CA ASP A 17 4.082 25.644 -11.056 1.00 0.00 C ATOM 243 C ASP A 17 3.148 25.621 -12.268 1.00 0.00 C ATOM 244 O ASP A 17 3.514 25.121 -13.330 1.00 0.00 O ATOM 245 CB ASP A 17 4.870 26.954 -11.091 1.00 0.00 C ATOM 246 CG ASP A 17 4.342 28.051 -10.164 1.00 0.00 C ATOM 247 OD1 ASP A 17 4.526 27.895 -8.937 1.00 0.00 O ATOM 248 OD2 ASP A 17 3.766 29.021 -10.703 1.00 0.00 O ATOM 0 H ASP A 17 5.095 24.099 -12.045 1.00 0.00 H new ATOM 0 HA ASP A 17 3.519 25.588 -10.124 1.00 0.00 H new ATOM 0 HB2 ASP A 17 5.907 26.744 -10.827 1.00 0.00 H new ATOM 0 HB3 ASP A 17 4.871 27.332 -12.113 1.00 0.00 H new ATOM 253 N SER A 18 1.958 26.170 -12.068 1.00 0.00 N ATOM 254 CA SER A 18 0.968 26.219 -13.131 1.00 0.00 C ATOM 255 C SER A 18 1.653 26.496 -14.471 1.00 0.00 C ATOM 256 O SER A 18 1.473 25.748 -15.430 1.00 0.00 O ATOM 257 CB SER A 18 -0.092 27.285 -12.847 1.00 0.00 C ATOM 258 OG SER A 18 0.490 28.540 -12.503 1.00 0.00 O ATOM 0 H SER A 18 1.657 26.584 -11.186 1.00 0.00 H new ATOM 0 HA SER A 18 0.468 25.251 -13.178 1.00 0.00 H new ATOM 0 HB2 SER A 18 -0.726 27.408 -13.725 1.00 0.00 H new ATOM 0 HB3 SER A 18 -0.735 26.949 -12.034 1.00 0.00 H new ATOM 0 HG SER A 18 -0.220 29.194 -12.331 1.00 0.00 H new ATOM 264 N LYS A 19 2.425 27.572 -14.493 1.00 0.00 N ATOM 265 CA LYS A 19 3.137 27.957 -15.700 1.00 0.00 C ATOM 266 C LYS A 19 3.754 26.713 -16.341 1.00 0.00 C ATOM 267 O LYS A 19 3.509 26.426 -17.512 1.00 0.00 O ATOM 268 CB LYS A 19 4.153 29.060 -15.394 1.00 0.00 C ATOM 269 CG LYS A 19 4.965 29.418 -16.640 1.00 0.00 C ATOM 270 CD LYS A 19 4.198 30.396 -17.533 1.00 0.00 C ATOM 271 CE LYS A 19 3.613 29.680 -18.753 1.00 0.00 C ATOM 272 NZ LYS A 19 4.636 29.542 -19.813 1.00 0.00 N ATOM 0 H LYS A 19 2.573 28.189 -13.695 1.00 0.00 H new ATOM 0 HA LYS A 19 2.448 28.384 -16.429 1.00 0.00 H new ATOM 0 HB2 LYS A 19 3.634 29.946 -15.027 1.00 0.00 H new ATOM 0 HB3 LYS A 19 4.824 28.731 -14.600 1.00 0.00 H new ATOM 0 HG2 LYS A 19 5.916 29.860 -16.344 1.00 0.00 H new ATOM 0 HG3 LYS A 19 5.195 28.512 -17.201 1.00 0.00 H new ATOM 0 HD2 LYS A 19 3.396 30.864 -16.962 1.00 0.00 H new ATOM 0 HD3 LYS A 19 4.864 31.195 -17.860 1.00 0.00 H new ATOM 0 HE2 LYS A 19 3.246 28.695 -18.463 1.00 0.00 H new ATOM 0 HE3 LYS A 19 2.758 30.239 -19.135 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 4.222 29.054 -20.633 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 4.966 30.485 -20.101 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 5.439 28.990 -19.451 1.00 0.00 H new ATOM 286 N SER A 20 4.545 26.007 -15.545 1.00 0.00 N ATOM 287 CA SER A 20 5.200 24.800 -16.021 1.00 0.00 C ATOM 288 C SER A 20 5.043 23.679 -14.991 1.00 0.00 C ATOM 289 O SER A 20 5.674 23.709 -13.935 1.00 0.00 O ATOM 290 CB SER A 20 6.680 25.053 -16.308 1.00 0.00 C ATOM 291 OG SER A 20 7.030 24.716 -17.648 1.00 0.00 O ATOM 0 H SER A 20 4.747 26.248 -14.575 1.00 0.00 H new ATOM 0 HA SER A 20 4.724 24.498 -16.954 1.00 0.00 H new ATOM 0 HB2 SER A 20 6.910 26.103 -16.126 1.00 0.00 H new ATOM 0 HB3 SER A 20 7.288 24.469 -15.617 1.00 0.00 H new ATOM 0 HG SER A 20 7.983 24.893 -17.792 1.00 0.00 H new ATOM 297 N THR A 21 4.198 22.718 -15.334 1.00 0.00 N ATOM 298 CA THR A 21 3.950 21.590 -14.452 1.00 0.00 C ATOM 299 C THR A 21 3.893 20.289 -15.255 1.00 0.00 C ATOM 300 O THR A 21 3.054 20.138 -16.142 1.00 0.00 O ATOM 301 CB THR A 21 2.669 21.877 -13.666 1.00 0.00 C ATOM 302 OG1 THR A 21 3.066 22.838 -12.692 1.00 0.00 O ATOM 303 CG2 THR A 21 2.208 20.675 -12.840 1.00 0.00 C ATOM 0 H THR A 21 3.676 22.697 -16.210 1.00 0.00 H new ATOM 0 HA THR A 21 4.763 21.459 -13.738 1.00 0.00 H new ATOM 0 HB THR A 21 1.877 22.168 -14.356 1.00 0.00 H new ATOM 0 HG1 THR A 21 3.520 23.585 -13.135 1.00 0.00 H new ATOM 0 HG21 THR A 21 1.296 20.932 -12.302 1.00 0.00 H new ATOM 0 HG22 THR A 21 2.014 19.831 -13.502 1.00 0.00 H new ATOM 0 HG23 THR A 21 2.986 20.404 -12.126 1.00 0.00 H new ATOM 311 N TRP A 22 4.796 19.381 -14.913 1.00 0.00 N ATOM 312 CA TRP A 22 4.858 18.097 -15.591 1.00 0.00 C ATOM 313 C TRP A 22 4.721 16.998 -14.535 1.00 0.00 C ATOM 314 O TRP A 22 4.466 17.284 -13.366 1.00 0.00 O ATOM 315 CB TRP A 22 6.140 17.975 -16.417 1.00 0.00 C ATOM 316 CG TRP A 22 6.577 19.281 -17.084 1.00 0.00 C ATOM 317 CD1 TRP A 22 5.801 20.263 -17.563 1.00 0.00 C ATOM 318 CD2 TRP A 22 7.934 19.711 -17.327 1.00 0.00 C ATOM 319 NE1 TRP A 22 6.555 21.288 -18.095 1.00 0.00 N ATOM 320 CE2 TRP A 22 7.893 20.942 -17.946 1.00 0.00 C ATOM 321 CE3 TRP A 22 9.155 19.079 -17.031 1.00 0.00 C ATOM 322 CZ2 TRP A 22 9.041 21.649 -18.324 1.00 0.00 C ATOM 323 CZ3 TRP A 22 10.293 19.798 -17.415 1.00 0.00 C ATOM 324 CH2 TRP A 22 10.269 21.039 -18.040 1.00 0.00 C ATOM 0 H TRP A 22 5.490 19.509 -14.176 1.00 0.00 H new ATOM 0 HA TRP A 22 4.041 17.998 -16.305 1.00 0.00 H new ATOM 0 HB2 TRP A 22 6.944 17.622 -15.771 1.00 0.00 H new ATOM 0 HB3 TRP A 22 5.993 17.217 -17.187 1.00 0.00 H new ATOM 0 HD1 TRP A 22 4.721 20.253 -17.536 1.00 0.00 H new ATOM 0 HE1 TRP A 22 6.197 22.143 -18.520 1.00 0.00 H new ATOM 0 HE3 TRP A 22 9.210 18.116 -16.546 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 8.982 22.613 -18.808 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 11.258 19.357 -17.211 1.00 0.00 H new ATOM 0 HH2 TRP A 22 11.193 21.531 -18.305 1.00 0.00 H new ATOM 335 N VAL A 23 4.896 15.765 -14.985 1.00 0.00 N ATOM 336 CA VAL A 23 4.794 14.622 -14.093 1.00 0.00 C ATOM 337 C VAL A 23 5.513 13.426 -14.721 1.00 0.00 C ATOM 338 O VAL A 23 5.053 12.875 -15.721 1.00 0.00 O ATOM 339 CB VAL A 23 3.326 14.336 -13.774 1.00 0.00 C ATOM 340 CG1 VAL A 23 2.742 15.418 -12.862 1.00 0.00 C ATOM 341 CG2 VAL A 23 2.502 14.197 -15.055 1.00 0.00 C ATOM 0 H VAL A 23 5.108 15.532 -15.955 1.00 0.00 H new ATOM 0 HA VAL A 23 5.283 14.834 -13.142 1.00 0.00 H new ATOM 0 HB VAL A 23 3.279 13.386 -13.241 1.00 0.00 H new ATOM 0 HG11 VAL A 23 1.697 15.191 -12.651 1.00 0.00 H new ATOM 0 HG12 VAL A 23 3.303 15.448 -11.928 1.00 0.00 H new ATOM 0 HG13 VAL A 23 2.809 16.387 -13.357 1.00 0.00 H new ATOM 0 HG21 VAL A 23 1.462 13.994 -14.799 1.00 0.00 H new ATOM 0 HG22 VAL A 23 2.560 15.123 -15.627 1.00 0.00 H new ATOM 0 HG23 VAL A 23 2.895 13.375 -15.653 1.00 0.00 H new ATOM 351 N ILE A 24 6.629 13.059 -14.109 1.00 0.00 N ATOM 352 CA ILE A 24 7.415 11.937 -14.596 1.00 0.00 C ATOM 353 C ILE A 24 6.630 10.641 -14.389 1.00 0.00 C ATOM 354 O ILE A 24 6.721 10.017 -13.333 1.00 0.00 O ATOM 355 CB ILE A 24 8.798 11.929 -13.941 1.00 0.00 C ATOM 356 CG1 ILE A 24 8.710 11.489 -12.478 1.00 0.00 C ATOM 357 CG2 ILE A 24 9.484 13.289 -14.090 1.00 0.00 C ATOM 358 CD1 ILE A 24 9.301 10.091 -12.289 1.00 0.00 C ATOM 0 H ILE A 24 7.008 13.518 -13.281 1.00 0.00 H new ATOM 0 HA ILE A 24 7.594 12.034 -15.667 1.00 0.00 H new ATOM 0 HB ILE A 24 9.417 11.198 -14.461 1.00 0.00 H new ATOM 0 HG12 ILE A 24 9.243 12.201 -11.848 1.00 0.00 H new ATOM 0 HG13 ILE A 24 7.669 11.494 -12.155 1.00 0.00 H new ATOM 0 HG21 ILE A 24 10.465 13.256 -13.616 1.00 0.00 H new ATOM 0 HG22 ILE A 24 9.600 13.524 -15.148 1.00 0.00 H new ATOM 0 HG23 ILE A 24 8.876 14.057 -13.612 1.00 0.00 H new ATOM 0 HD11 ILE A 24 9.226 9.803 -11.240 1.00 0.00 H new ATOM 0 HD12 ILE A 24 8.750 9.377 -12.902 1.00 0.00 H new ATOM 0 HD13 ILE A 24 10.349 10.095 -12.590 1.00 0.00 H new ATOM 370 N LEU A 25 5.876 10.275 -15.415 1.00 0.00 N ATOM 371 CA LEU A 25 5.074 9.064 -15.360 1.00 0.00 C ATOM 372 C LEU A 25 5.645 8.034 -16.337 1.00 0.00 C ATOM 373 O LEU A 25 6.012 8.376 -17.460 1.00 0.00 O ATOM 374 CB LEU A 25 3.597 9.386 -15.600 1.00 0.00 C ATOM 375 CG LEU A 25 3.267 10.066 -16.931 1.00 0.00 C ATOM 376 CD1 LEU A 25 3.008 9.029 -18.026 1.00 0.00 C ATOM 377 CD2 LEU A 25 2.097 11.038 -16.774 1.00 0.00 C ATOM 0 H LEU A 25 5.803 10.795 -16.289 1.00 0.00 H new ATOM 0 HA LEU A 25 5.122 8.622 -14.365 1.00 0.00 H new ATOM 0 HB2 LEU A 25 3.028 8.458 -15.538 1.00 0.00 H new ATOM 0 HB3 LEU A 25 3.249 10.028 -14.791 1.00 0.00 H new ATOM 0 HG LEU A 25 4.133 10.652 -17.240 1.00 0.00 H new ATOM 0 HD11 LEU A 25 2.776 9.538 -18.962 1.00 0.00 H new ATOM 0 HD12 LEU A 25 3.896 8.411 -18.160 1.00 0.00 H new ATOM 0 HD13 LEU A 25 2.167 8.398 -17.738 1.00 0.00 H new ATOM 0 HD21 LEU A 25 1.883 11.508 -17.734 1.00 0.00 H new ATOM 0 HD22 LEU A 25 1.216 10.495 -16.431 1.00 0.00 H new ATOM 0 HD23 LEU A 25 2.357 11.805 -16.045 1.00 0.00 H new ATOM 389 N HIS A 26 5.702 6.794 -15.874 1.00 0.00 N ATOM 390 CA HIS A 26 6.224 5.713 -16.693 1.00 0.00 C ATOM 391 C HIS A 26 7.577 6.119 -17.280 1.00 0.00 C ATOM 392 O HIS A 26 7.816 5.950 -18.474 1.00 0.00 O ATOM 393 CB HIS A 26 5.210 5.308 -17.766 1.00 0.00 C ATOM 394 CG HIS A 26 4.494 4.010 -17.475 1.00 0.00 C ATOM 395 ND1 HIS A 26 3.191 3.960 -17.013 1.00 0.00 N ATOM 396 CD2 HIS A 26 4.913 2.717 -17.587 1.00 0.00 C ATOM 397 CE1 HIS A 26 2.851 2.690 -16.856 1.00 0.00 C ATOM 398 NE2 HIS A 26 3.920 1.921 -17.212 1.00 0.00 N ATOM 0 H HIS A 26 5.395 6.514 -14.942 1.00 0.00 H new ATOM 0 HA HIS A 26 6.387 4.830 -16.075 1.00 0.00 H new ATOM 0 HB2 HIS A 26 4.472 6.103 -17.872 1.00 0.00 H new ATOM 0 HB3 HIS A 26 5.724 5.221 -18.723 1.00 0.00 H new ATOM 0 HD2 HIS A 26 5.888 2.396 -17.924 1.00 0.00 H new ATOM 0 HE1 HIS A 26 1.895 2.327 -16.507 1.00 0.00 H new ATOM 0 HE2 HIS A 26 3.951 0.902 -17.193 1.00 0.00 H new ATOM 406 N HIS A 27 8.427 6.646 -16.411 1.00 0.00 N ATOM 407 CA HIS A 27 9.751 7.078 -16.828 1.00 0.00 C ATOM 408 C HIS A 27 9.625 8.091 -17.968 1.00 0.00 C ATOM 409 O HIS A 27 10.576 8.309 -18.717 1.00 0.00 O ATOM 410 CB HIS A 27 10.623 5.876 -17.197 1.00 0.00 C ATOM 411 CG HIS A 27 10.528 4.727 -16.223 1.00 0.00 C ATOM 412 ND1 HIS A 27 10.285 4.907 -14.872 1.00 0.00 N ATOM 413 CD2 HIS A 27 10.644 3.381 -16.418 1.00 0.00 C ATOM 414 CE1 HIS A 27 10.260 3.717 -14.289 1.00 0.00 C ATOM 415 NE2 HIS A 27 10.483 2.773 -15.249 1.00 0.00 N ATOM 0 H HIS A 27 8.225 6.784 -15.421 1.00 0.00 H new ATOM 0 HA HIS A 27 10.253 7.577 -15.999 1.00 0.00 H new ATOM 0 HB2 HIS A 27 10.337 5.523 -18.188 1.00 0.00 H new ATOM 0 HB3 HIS A 27 11.662 6.200 -17.261 1.00 0.00 H new ATOM 0 HD2 HIS A 27 10.834 2.894 -17.363 1.00 0.00 H new ATOM 0 HE1 HIS A 27 10.093 3.528 -13.239 1.00 0.00 H new ATOM 0 HE2 HIS A 27 10.520 1.766 -15.094 1.00 0.00 H new ATOM 423 N LYS A 28 8.443 8.682 -18.063 1.00 0.00 N ATOM 424 CA LYS A 28 8.181 9.667 -19.099 1.00 0.00 C ATOM 425 C LYS A 28 7.400 10.838 -18.498 1.00 0.00 C ATOM 426 O LYS A 28 6.269 10.666 -18.044 1.00 0.00 O ATOM 427 CB LYS A 28 7.486 9.015 -20.296 1.00 0.00 C ATOM 428 CG LYS A 28 8.405 7.996 -20.974 1.00 0.00 C ATOM 429 CD LYS A 28 7.608 6.796 -21.488 1.00 0.00 C ATOM 430 CE LYS A 28 6.700 7.197 -22.651 1.00 0.00 C ATOM 431 NZ LYS A 28 5.646 6.179 -22.862 1.00 0.00 N ATOM 0 H LYS A 28 7.656 8.498 -17.440 1.00 0.00 H new ATOM 0 HA LYS A 28 9.117 10.071 -19.485 1.00 0.00 H new ATOM 0 HB2 LYS A 28 6.571 8.523 -19.966 1.00 0.00 H new ATOM 0 HB3 LYS A 28 7.194 9.782 -21.014 1.00 0.00 H new ATOM 0 HG2 LYS A 28 8.931 8.470 -21.803 1.00 0.00 H new ATOM 0 HG3 LYS A 28 9.163 7.658 -20.267 1.00 0.00 H new ATOM 0 HD2 LYS A 28 8.293 6.012 -21.811 1.00 0.00 H new ATOM 0 HD3 LYS A 28 7.007 6.381 -20.679 1.00 0.00 H new ATOM 0 HE2 LYS A 28 6.243 8.165 -22.446 1.00 0.00 H new ATOM 0 HE3 LYS A 28 7.292 7.310 -23.560 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 5.039 6.467 -23.655 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 6.087 5.262 -23.079 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 5.071 6.091 -22.000 1.00 0.00 H new ATOM 445 N VAL A 29 8.033 12.001 -18.514 1.00 0.00 N ATOM 446 CA VAL A 29 7.412 13.199 -17.976 1.00 0.00 C ATOM 447 C VAL A 29 6.547 13.849 -19.058 1.00 0.00 C ATOM 448 O VAL A 29 6.957 13.941 -20.214 1.00 0.00 O ATOM 449 CB VAL A 29 8.482 14.140 -17.421 1.00 0.00 C ATOM 450 CG1 VAL A 29 9.557 14.429 -18.472 1.00 0.00 C ATOM 451 CG2 VAL A 29 7.858 15.438 -16.904 1.00 0.00 C ATOM 0 H VAL A 29 8.970 12.139 -18.891 1.00 0.00 H new ATOM 0 HA VAL A 29 6.756 12.948 -17.142 1.00 0.00 H new ATOM 0 HB VAL A 29 8.962 13.641 -16.579 1.00 0.00 H new ATOM 0 HG11 VAL A 29 10.306 15.101 -18.052 1.00 0.00 H new ATOM 0 HG12 VAL A 29 10.034 13.496 -18.771 1.00 0.00 H new ATOM 0 HG13 VAL A 29 9.098 14.897 -19.343 1.00 0.00 H new ATOM 0 HG21 VAL A 29 8.641 16.089 -16.515 1.00 0.00 H new ATOM 0 HG22 VAL A 29 7.339 15.942 -17.719 1.00 0.00 H new ATOM 0 HG23 VAL A 29 7.148 15.209 -16.109 1.00 0.00 H new ATOM 461 N TYR A 30 5.366 14.285 -18.643 1.00 0.00 N ATOM 462 CA TYR A 30 4.440 14.924 -19.563 1.00 0.00 C ATOM 463 C TYR A 30 4.158 16.367 -19.142 1.00 0.00 C ATOM 464 O TYR A 30 3.907 16.638 -17.968 1.00 0.00 O ATOM 465 CB TYR A 30 3.142 14.118 -19.482 1.00 0.00 C ATOM 466 CG TYR A 30 3.226 12.735 -20.131 1.00 0.00 C ATOM 467 CD1 TYR A 30 4.205 11.847 -19.737 1.00 0.00 C ATOM 468 CD2 TYR A 30 2.321 12.377 -21.110 1.00 0.00 C ATOM 469 CE1 TYR A 30 4.285 10.545 -20.349 1.00 0.00 C ATOM 470 CE2 TYR A 30 2.401 11.075 -21.722 1.00 0.00 C ATOM 471 CZ TYR A 30 3.378 10.224 -21.310 1.00 0.00 C ATOM 472 OH TYR A 30 3.453 8.995 -21.888 1.00 0.00 O ATOM 0 H TYR A 30 5.030 14.208 -17.683 1.00 0.00 H new ATOM 0 HA TYR A 30 4.855 14.948 -20.571 1.00 0.00 H new ATOM 0 HB2 TYR A 30 2.865 14.000 -18.435 1.00 0.00 H new ATOM 0 HB3 TYR A 30 2.344 14.685 -19.961 1.00 0.00 H new ATOM 0 HD1 TYR A 30 4.912 12.128 -18.970 1.00 0.00 H new ATOM 0 HD2 TYR A 30 1.554 13.072 -21.417 1.00 0.00 H new ATOM 0 HE1 TYR A 30 5.048 9.840 -20.051 1.00 0.00 H new ATOM 0 HE2 TYR A 30 1.701 10.782 -22.490 1.00 0.00 H new ATOM 0 HH TYR A 30 2.742 8.904 -22.556 1.00 0.00 H new ATOM 482 N ASP A 31 4.207 17.257 -20.123 1.00 0.00 N ATOM 483 CA ASP A 31 3.960 18.666 -19.869 1.00 0.00 C ATOM 484 C ASP A 31 2.460 18.945 -19.986 1.00 0.00 C ATOM 485 O ASP A 31 1.986 19.377 -21.036 1.00 0.00 O ATOM 486 CB ASP A 31 4.686 19.545 -20.888 1.00 0.00 C ATOM 487 CG ASP A 31 4.361 21.038 -20.803 1.00 0.00 C ATOM 488 OD1 ASP A 31 3.331 21.359 -20.171 1.00 0.00 O ATOM 489 OD2 ASP A 31 5.150 21.824 -21.370 1.00 0.00 O ATOM 0 H ASP A 31 4.414 17.029 -21.095 1.00 0.00 H new ATOM 0 HA ASP A 31 4.326 18.898 -18.869 1.00 0.00 H new ATOM 0 HB2 ASP A 31 5.760 19.415 -20.758 1.00 0.00 H new ATOM 0 HB3 ASP A 31 4.441 19.192 -21.890 1.00 0.00 H new ATOM 494 N LEU A 32 1.755 18.688 -18.894 1.00 0.00 N ATOM 495 CA LEU A 32 0.319 18.906 -18.862 1.00 0.00 C ATOM 496 C LEU A 32 0.033 20.308 -18.320 1.00 0.00 C ATOM 497 O LEU A 32 -1.028 20.551 -17.746 1.00 0.00 O ATOM 498 CB LEU A 32 -0.375 17.791 -18.078 1.00 0.00 C ATOM 499 CG LEU A 32 0.390 17.240 -16.873 1.00 0.00 C ATOM 500 CD1 LEU A 32 -0.571 16.699 -15.813 1.00 0.00 C ATOM 501 CD2 LEU A 32 1.416 16.190 -17.307 1.00 0.00 C ATOM 0 H LEU A 32 2.152 18.331 -18.025 1.00 0.00 H new ATOM 0 HA LEU A 32 -0.096 18.862 -19.869 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -1.339 18.164 -17.731 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -0.579 16.967 -18.761 1.00 0.00 H new ATOM 0 HG LEU A 32 0.943 18.061 -16.416 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -0.001 16.314 -14.968 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -1.227 17.501 -15.473 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -1.171 15.897 -16.242 1.00 0.00 H new ATOM 0 HD21 LEU A 32 1.946 15.815 -16.431 1.00 0.00 H new ATOM 0 HD22 LEU A 32 0.905 15.365 -17.803 1.00 0.00 H new ATOM 0 HD23 LEU A 32 2.129 16.642 -17.996 1.00 0.00 H new ATOM 513 N THR A 33 0.998 21.194 -18.521 1.00 0.00 N ATOM 514 CA THR A 33 0.863 22.565 -18.059 1.00 0.00 C ATOM 515 C THR A 33 -0.080 23.346 -18.976 1.00 0.00 C ATOM 516 O THR A 33 -0.676 24.338 -18.560 1.00 0.00 O ATOM 517 CB THR A 33 2.264 23.173 -17.967 1.00 0.00 C ATOM 518 OG1 THR A 33 2.241 23.916 -16.751 1.00 0.00 O ATOM 519 CG2 THR A 33 2.514 24.230 -19.045 1.00 0.00 C ATOM 0 H THR A 33 1.876 20.989 -18.997 1.00 0.00 H new ATOM 0 HA THR A 33 0.410 22.606 -17.068 1.00 0.00 H new ATOM 0 HB THR A 33 3.010 22.383 -18.053 1.00 0.00 H new ATOM 0 HG1 THR A 33 1.583 24.639 -16.822 1.00 0.00 H new ATOM 0 HG21 THR A 33 3.522 24.630 -18.936 1.00 0.00 H new ATOM 0 HG22 THR A 33 2.409 23.777 -20.031 1.00 0.00 H new ATOM 0 HG23 THR A 33 1.790 25.037 -18.938 1.00 0.00 H new ATOM 527 N LYS A 34 -0.187 22.869 -20.207 1.00 0.00 N ATOM 528 CA LYS A 34 -1.047 23.509 -21.187 1.00 0.00 C ATOM 529 C LYS A 34 -2.446 22.896 -21.110 1.00 0.00 C ATOM 530 O LYS A 34 -3.445 23.614 -21.133 1.00 0.00 O ATOM 531 CB LYS A 34 -0.420 23.437 -22.580 1.00 0.00 C ATOM 532 CG LYS A 34 0.282 22.093 -22.797 1.00 0.00 C ATOM 533 CD LYS A 34 1.768 22.189 -22.448 1.00 0.00 C ATOM 534 CE LYS A 34 2.592 22.605 -23.668 1.00 0.00 C ATOM 535 NZ LYS A 34 3.842 23.275 -23.245 1.00 0.00 N ATOM 0 H LYS A 34 0.309 22.045 -20.548 1.00 0.00 H new ATOM 0 HA LYS A 34 -1.151 24.571 -20.965 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -1.191 23.575 -23.338 1.00 0.00 H new ATOM 0 HB3 LYS A 34 0.296 24.249 -22.703 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -0.191 21.328 -22.182 1.00 0.00 H new ATOM 0 HG3 LYS A 34 0.168 21.782 -23.836 1.00 0.00 H new ATOM 0 HD2 LYS A 34 1.911 22.912 -21.645 1.00 0.00 H new ATOM 0 HD3 LYS A 34 2.121 21.227 -22.077 1.00 0.00 H new ATOM 0 HE2 LYS A 34 2.828 21.728 -24.271 1.00 0.00 H new ATOM 0 HE3 LYS A 34 2.008 23.276 -24.297 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 4.280 23.743 -24.064 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 3.626 23.984 -22.516 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 4.500 22.569 -22.857 1.00 0.00 H new ATOM 549 N PHE A 35 -2.474 21.575 -21.019 1.00 0.00 N ATOM 550 CA PHE A 35 -3.735 20.856 -20.938 1.00 0.00 C ATOM 551 C PHE A 35 -4.177 20.689 -19.483 1.00 0.00 C ATOM 552 O PHE A 35 -5.146 19.983 -19.203 1.00 0.00 O ATOM 553 CB PHE A 35 -3.501 19.473 -21.550 1.00 0.00 C ATOM 554 CG PHE A 35 -3.955 18.314 -20.660 1.00 0.00 C ATOM 555 CD1 PHE A 35 -3.141 17.857 -19.672 1.00 0.00 C ATOM 556 CD2 PHE A 35 -5.172 17.742 -20.859 1.00 0.00 C ATOM 557 CE1 PHE A 35 -3.561 16.781 -18.846 1.00 0.00 C ATOM 558 CE2 PHE A 35 -5.594 16.666 -20.033 1.00 0.00 C ATOM 559 CZ PHE A 35 -4.780 16.209 -19.044 1.00 0.00 C ATOM 0 H PHE A 35 -1.644 20.983 -21.000 1.00 0.00 H new ATOM 0 HA PHE A 35 -4.513 21.408 -21.465 1.00 0.00 H new ATOM 0 HB2 PHE A 35 -4.028 19.414 -22.502 1.00 0.00 H new ATOM 0 HB3 PHE A 35 -2.439 19.357 -21.766 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -2.174 18.312 -19.515 1.00 0.00 H new ATOM 0 HD2 PHE A 35 -5.818 18.105 -21.645 1.00 0.00 H new ATOM 0 HE1 PHE A 35 -2.914 16.417 -18.062 1.00 0.00 H new ATOM 0 HE2 PHE A 35 -6.561 16.211 -20.190 1.00 0.00 H new ATOM 0 HZ PHE A 35 -5.101 15.392 -18.415 1.00 0.00 H new ATOM 569 N LEU A 36 -3.447 21.349 -18.596 1.00 0.00 N ATOM 570 CA LEU A 36 -3.753 21.281 -17.177 1.00 0.00 C ATOM 571 C LEU A 36 -5.209 21.695 -16.953 1.00 0.00 C ATOM 572 O LEU A 36 -5.925 21.063 -16.179 1.00 0.00 O ATOM 573 CB LEU A 36 -2.748 22.108 -16.373 1.00 0.00 C ATOM 574 CG LEU A 36 -2.170 21.435 -15.127 1.00 0.00 C ATOM 575 CD1 LEU A 36 -0.654 21.632 -15.050 1.00 0.00 C ATOM 576 CD2 LEU A 36 -2.876 21.923 -13.861 1.00 0.00 C ATOM 0 H LEU A 36 -2.645 21.933 -18.832 1.00 0.00 H new ATOM 0 HA LEU A 36 -3.653 20.258 -16.814 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -1.922 22.380 -17.031 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -3.232 23.036 -16.069 1.00 0.00 H new ATOM 0 HG LEU A 36 -2.352 20.363 -15.204 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -0.269 21.144 -14.155 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -0.185 21.195 -15.932 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -0.427 22.697 -15.008 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -2.445 21.428 -12.990 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -2.748 23.001 -13.766 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -3.938 21.688 -13.923 1.00 0.00 H new ATOM 588 N GLU A 37 -5.603 22.754 -17.645 1.00 0.00 N ATOM 589 CA GLU A 37 -6.959 23.261 -17.531 1.00 0.00 C ATOM 590 C GLU A 37 -7.920 22.393 -18.347 1.00 0.00 C ATOM 591 O GLU A 37 -9.120 22.370 -18.082 1.00 0.00 O ATOM 592 CB GLU A 37 -7.038 24.725 -17.968 1.00 0.00 C ATOM 593 CG GLU A 37 -8.133 25.468 -17.202 1.00 0.00 C ATOM 594 CD GLU A 37 -9.182 26.036 -18.160 1.00 0.00 C ATOM 595 OE1 GLU A 37 -9.667 25.251 -19.003 1.00 0.00 O ATOM 596 OE2 GLU A 37 -9.477 27.244 -18.026 1.00 0.00 O ATOM 0 H GLU A 37 -5.006 23.275 -18.287 1.00 0.00 H new ATOM 0 HA GLU A 37 -7.256 23.213 -16.483 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -6.077 25.211 -17.799 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -7.238 24.778 -19.038 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -8.610 24.791 -16.494 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -7.690 26.277 -16.620 1.00 0.00 H new ATOM 603 N GLU A 38 -7.354 21.699 -19.325 1.00 0.00 N ATOM 604 CA GLU A 38 -8.144 20.832 -20.182 1.00 0.00 C ATOM 605 C GLU A 38 -8.371 19.479 -19.504 1.00 0.00 C ATOM 606 O GLU A 38 -9.057 18.615 -20.048 1.00 0.00 O ATOM 607 CB GLU A 38 -7.479 20.656 -21.548 1.00 0.00 C ATOM 608 CG GLU A 38 -7.985 21.702 -22.544 1.00 0.00 C ATOM 609 CD GLU A 38 -9.197 21.180 -23.318 1.00 0.00 C ATOM 610 OE1 GLU A 38 -8.968 20.422 -24.286 1.00 0.00 O ATOM 611 OE2 GLU A 38 -10.324 21.551 -22.926 1.00 0.00 O ATOM 0 H GLU A 38 -6.358 21.720 -19.542 1.00 0.00 H new ATOM 0 HA GLU A 38 -9.114 21.302 -20.345 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -6.397 20.742 -21.443 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -7.684 19.656 -21.930 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -8.254 22.615 -22.013 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -7.188 21.961 -23.241 1.00 0.00 H new ATOM 618 N HIS A 39 -7.781 19.337 -18.326 1.00 0.00 N ATOM 619 CA HIS A 39 -7.910 18.104 -17.568 1.00 0.00 C ATOM 620 C HIS A 39 -9.066 18.231 -16.575 1.00 0.00 C ATOM 621 O HIS A 39 -9.163 19.221 -15.851 1.00 0.00 O ATOM 622 CB HIS A 39 -6.586 17.740 -16.893 1.00 0.00 C ATOM 623 CG HIS A 39 -6.586 16.384 -16.229 1.00 0.00 C ATOM 624 ND1 HIS A 39 -6.414 16.217 -14.866 1.00 0.00 N ATOM 625 CD2 HIS A 39 -6.741 15.135 -16.754 1.00 0.00 C ATOM 626 CE1 HIS A 39 -6.464 14.921 -14.595 1.00 0.00 C ATOM 627 NE2 HIS A 39 -6.666 14.252 -15.767 1.00 0.00 N ATOM 0 H HIS A 39 -7.212 20.056 -17.878 1.00 0.00 H new ATOM 0 HA HIS A 39 -8.145 17.281 -18.243 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -5.791 17.768 -17.638 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -6.350 18.498 -16.146 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -6.898 14.904 -17.797 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -6.363 14.473 -13.618 1.00 0.00 H new ATOM 0 HE2 HIS A 39 -6.746 13.240 -15.868 1.00 0.00 H new ATOM 635 N PRO A 40 -9.938 17.186 -16.571 1.00 0.00 N ATOM 636 CA PRO A 40 -11.084 17.171 -15.678 1.00 0.00 C ATOM 637 C PRO A 40 -10.656 16.863 -14.242 1.00 0.00 C ATOM 638 O PRO A 40 -11.460 16.962 -13.316 1.00 0.00 O ATOM 639 CB PRO A 40 -12.019 16.122 -16.258 1.00 0.00 C ATOM 640 CG PRO A 40 -11.165 15.265 -17.177 1.00 0.00 C ATOM 641 CD PRO A 40 -9.855 15.997 -17.414 1.00 0.00 C ATOM 0 HA PRO A 40 -11.582 18.139 -15.615 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -12.468 15.520 -15.468 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -12.837 16.589 -16.807 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -10.981 14.289 -16.727 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -11.680 15.088 -18.121 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -9.000 15.378 -17.142 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -9.734 16.263 -18.464 1.00 0.00 H new ATOM 649 N GLY A 41 -9.390 16.497 -14.101 1.00 0.00 N ATOM 650 CA GLY A 41 -8.846 16.175 -12.793 1.00 0.00 C ATOM 651 C GLY A 41 -8.877 17.395 -11.870 1.00 0.00 C ATOM 652 O GLY A 41 -9.760 17.512 -11.021 1.00 0.00 O ATOM 0 H GLY A 41 -8.726 16.416 -14.871 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -9.419 15.362 -12.347 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -7.821 15.821 -12.899 1.00 0.00 H new ATOM 656 N GLY A 42 -7.904 18.272 -12.068 1.00 0.00 N ATOM 657 CA GLY A 42 -7.809 19.478 -11.264 1.00 0.00 C ATOM 658 C GLY A 42 -6.694 20.391 -11.776 1.00 0.00 C ATOM 659 O GLY A 42 -6.197 20.208 -12.886 1.00 0.00 O ATOM 0 H GLY A 42 -7.174 18.171 -12.774 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -8.760 20.011 -11.287 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -7.618 19.212 -10.224 1.00 0.00 H new ATOM 663 N GLU A 43 -6.334 21.357 -10.942 1.00 0.00 N ATOM 664 CA GLU A 43 -5.286 22.299 -11.296 1.00 0.00 C ATOM 665 C GLU A 43 -4.146 22.233 -10.279 1.00 0.00 C ATOM 666 O GLU A 43 -3.054 22.742 -10.530 1.00 0.00 O ATOM 667 CB GLU A 43 -5.842 23.720 -11.407 1.00 0.00 C ATOM 668 CG GLU A 43 -4.735 24.758 -11.215 1.00 0.00 C ATOM 669 CD GLU A 43 -5.306 26.178 -11.228 1.00 0.00 C ATOM 670 OE1 GLU A 43 -6.215 26.416 -12.052 1.00 0.00 O ATOM 671 OE2 GLU A 43 -4.819 26.993 -10.414 1.00 0.00 O ATOM 0 H GLU A 43 -6.750 21.507 -10.023 1.00 0.00 H new ATOM 0 HA GLU A 43 -4.890 22.022 -12.273 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -6.308 23.857 -12.383 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -6.620 23.870 -10.658 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -4.222 24.577 -10.270 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -3.992 24.654 -12.006 1.00 0.00 H new ATOM 678 N GLU A 44 -4.438 21.604 -9.151 1.00 0.00 N ATOM 679 CA GLU A 44 -3.451 21.465 -8.093 1.00 0.00 C ATOM 680 C GLU A 44 -3.083 19.992 -7.900 1.00 0.00 C ATOM 681 O GLU A 44 -1.980 19.676 -7.458 1.00 0.00 O ATOM 682 CB GLU A 44 -3.957 22.079 -6.787 1.00 0.00 C ATOM 683 CG GLU A 44 -5.256 21.410 -6.333 1.00 0.00 C ATOM 684 CD GLU A 44 -6.461 22.315 -6.598 1.00 0.00 C ATOM 685 OE1 GLU A 44 -6.599 23.309 -5.855 1.00 0.00 O ATOM 686 OE2 GLU A 44 -7.217 21.991 -7.540 1.00 0.00 O ATOM 0 H GLU A 44 -5.345 21.184 -8.946 1.00 0.00 H new ATOM 0 HA GLU A 44 -2.553 22.008 -8.387 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -3.198 21.971 -6.012 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -4.123 23.148 -6.924 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -5.385 20.464 -6.859 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -5.198 21.178 -5.269 1.00 0.00 H new ATOM 693 N VAL A 45 -4.029 19.129 -8.241 1.00 0.00 N ATOM 694 CA VAL A 45 -3.818 17.697 -8.111 1.00 0.00 C ATOM 695 C VAL A 45 -2.830 17.233 -9.181 1.00 0.00 C ATOM 696 O VAL A 45 -2.032 16.327 -8.943 1.00 0.00 O ATOM 697 CB VAL A 45 -5.159 16.964 -8.176 1.00 0.00 C ATOM 698 CG1 VAL A 45 -6.176 17.751 -9.005 1.00 0.00 C ATOM 699 CG2 VAL A 45 -4.983 15.547 -8.726 1.00 0.00 C ATOM 0 H VAL A 45 -4.943 19.394 -8.607 1.00 0.00 H new ATOM 0 HA VAL A 45 -3.380 17.461 -7.141 1.00 0.00 H new ATOM 0 HB VAL A 45 -5.546 16.884 -7.160 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -7.120 17.207 -9.035 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -6.335 18.730 -8.552 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -5.798 17.878 -10.020 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -5.951 15.048 -8.762 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -4.563 15.596 -9.731 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -4.309 14.986 -8.078 1.00 0.00 H new ATOM 709 N LEU A 46 -2.914 17.873 -10.338 1.00 0.00 N ATOM 710 CA LEU A 46 -2.037 17.536 -11.446 1.00 0.00 C ATOM 711 C LEU A 46 -0.606 17.959 -11.104 1.00 0.00 C ATOM 712 O LEU A 46 0.339 17.205 -11.331 1.00 0.00 O ATOM 713 CB LEU A 46 -2.562 18.141 -12.749 1.00 0.00 C ATOM 714 CG LEU A 46 -4.084 18.193 -12.898 1.00 0.00 C ATOM 715 CD1 LEU A 46 -4.483 18.627 -14.311 1.00 0.00 C ATOM 716 CD2 LEU A 46 -4.720 16.857 -12.509 1.00 0.00 C ATOM 0 H LEU A 46 -3.577 18.624 -10.532 1.00 0.00 H new ATOM 0 HA LEU A 46 -2.022 16.458 -11.606 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -2.173 19.155 -12.838 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -2.154 17.569 -13.582 1.00 0.00 H new ATOM 0 HG LEU A 46 -4.468 18.945 -12.209 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -5.570 18.656 -14.390 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -4.078 19.618 -14.515 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -4.085 17.917 -15.036 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -5.802 16.922 -12.624 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -4.333 16.068 -13.154 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -4.479 16.628 -11.471 1.00 0.00 H new ATOM 728 N ARG A 47 -0.492 19.164 -10.565 1.00 0.00 N ATOM 729 CA ARG A 47 0.807 19.696 -10.191 1.00 0.00 C ATOM 730 C ARG A 47 1.237 19.141 -8.832 1.00 0.00 C ATOM 731 O ARG A 47 2.426 19.096 -8.523 1.00 0.00 O ATOM 732 CB ARG A 47 0.776 21.225 -10.123 1.00 0.00 C ATOM 733 CG ARG A 47 -0.428 21.715 -9.316 1.00 0.00 C ATOM 734 CD ARG A 47 -0.234 23.165 -8.868 1.00 0.00 C ATOM 735 NE ARG A 47 0.190 23.204 -7.450 1.00 0.00 N ATOM 736 CZ ARG A 47 0.741 24.274 -6.861 1.00 0.00 C ATOM 737 NH1 ARG A 47 0.937 25.399 -7.562 1.00 0.00 N ATOM 738 NH2 ARG A 47 1.095 24.219 -5.569 1.00 0.00 N ATOM 0 H ARG A 47 -1.278 19.787 -10.378 1.00 0.00 H new ATOM 0 HA ARG A 47 1.523 19.391 -10.954 1.00 0.00 H new ATOM 0 HB2 ARG A 47 1.696 21.591 -9.668 1.00 0.00 H new ATOM 0 HB3 ARG A 47 0.734 21.636 -11.131 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -1.332 21.635 -9.920 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -0.570 21.077 -8.444 1.00 0.00 H new ATOM 0 HD2 ARG A 47 0.515 23.651 -9.494 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -1.163 23.721 -8.994 1.00 0.00 H new ATOM 0 HE ARG A 47 0.054 22.365 -6.887 1.00 0.00 H new ATOM 0 HH11 ARG A 47 0.667 25.441 -8.545 1.00 0.00 H new ATOM 0 HH12 ARG A 47 1.356 26.213 -7.113 1.00 0.00 H new ATOM 0 HH21 ARG A 47 0.945 23.363 -5.035 1.00 0.00 H new ATOM 0 HH22 ARG A 47 1.515 25.033 -5.120 1.00 0.00 H new ATOM 752 N GLU A 48 0.243 18.732 -8.055 1.00 0.00 N ATOM 753 CA GLU A 48 0.504 18.181 -6.736 1.00 0.00 C ATOM 754 C GLU A 48 1.687 17.211 -6.789 1.00 0.00 C ATOM 755 O GLU A 48 2.364 16.997 -5.786 1.00 0.00 O ATOM 756 CB GLU A 48 -0.742 17.495 -6.172 1.00 0.00 C ATOM 757 CG GLU A 48 -1.130 18.088 -4.817 1.00 0.00 C ATOM 758 CD GLU A 48 -1.398 19.590 -4.933 1.00 0.00 C ATOM 759 OE1 GLU A 48 -0.417 20.354 -4.803 1.00 0.00 O ATOM 760 OE2 GLU A 48 -2.579 19.940 -5.148 1.00 0.00 O ATOM 0 H GLU A 48 -0.743 18.771 -8.314 1.00 0.00 H new ATOM 0 HA GLU A 48 0.762 19.001 -6.066 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -1.570 17.606 -6.872 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -0.556 16.426 -6.065 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -2.019 17.585 -4.437 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -0.331 17.912 -4.097 1.00 0.00 H new ATOM 767 N GLN A 49 1.899 16.652 -7.972 1.00 0.00 N ATOM 768 CA GLN A 49 2.988 15.711 -8.170 1.00 0.00 C ATOM 769 C GLN A 49 3.883 16.168 -9.323 1.00 0.00 C ATOM 770 O GLN A 49 4.286 15.361 -10.159 1.00 0.00 O ATOM 771 CB GLN A 49 2.454 14.299 -8.417 1.00 0.00 C ATOM 772 CG GLN A 49 1.729 13.762 -7.180 1.00 0.00 C ATOM 773 CD GLN A 49 2.707 13.545 -6.023 1.00 0.00 C ATOM 774 OE1 GLN A 49 3.218 14.477 -5.424 1.00 0.00 O ATOM 775 NE2 GLN A 49 2.939 12.265 -5.744 1.00 0.00 N ATOM 0 H GLN A 49 1.335 16.833 -8.802 1.00 0.00 H new ATOM 0 HA GLN A 49 3.588 15.684 -7.260 1.00 0.00 H new ATOM 0 HB2 GLN A 49 1.772 14.308 -9.267 1.00 0.00 H new ATOM 0 HB3 GLN A 49 3.278 13.635 -8.677 1.00 0.00 H new ATOM 0 HG2 GLN A 49 0.951 14.463 -6.877 1.00 0.00 H new ATOM 0 HG3 GLN A 49 1.234 12.822 -7.424 1.00 0.00 H new ATOM 0 HE21 GLN A 49 2.478 11.533 -6.285 1.00 0.00 H new ATOM 0 HE22 GLN A 49 3.578 12.015 -4.989 1.00 0.00 H new ATOM 784 N ALA A 50 4.168 17.462 -9.331 1.00 0.00 N ATOM 785 CA ALA A 50 5.007 18.037 -10.369 1.00 0.00 C ATOM 786 C ALA A 50 6.459 18.060 -9.889 1.00 0.00 C ATOM 787 O ALA A 50 7.109 19.104 -9.913 1.00 0.00 O ATOM 788 CB ALA A 50 4.490 19.431 -10.730 1.00 0.00 C ATOM 0 H ALA A 50 3.833 18.128 -8.635 1.00 0.00 H new ATOM 0 HA ALA A 50 4.968 17.431 -11.274 1.00 0.00 H new ATOM 0 HB1 ALA A 50 5.119 19.862 -11.509 1.00 0.00 H new ATOM 0 HB2 ALA A 50 3.465 19.356 -11.092 1.00 0.00 H new ATOM 0 HB3 ALA A 50 4.517 20.069 -9.847 1.00 0.00 H new ATOM 794 N GLY A 51 6.928 16.896 -9.465 1.00 0.00 N ATOM 795 CA GLY A 51 8.291 16.768 -8.981 1.00 0.00 C ATOM 796 C GLY A 51 8.667 15.299 -8.780 1.00 0.00 C ATOM 797 O GLY A 51 9.810 14.910 -9.015 1.00 0.00 O ATOM 0 H GLY A 51 6.387 16.032 -9.447 1.00 0.00 H new ATOM 0 HA2 GLY A 51 8.977 17.229 -9.691 1.00 0.00 H new ATOM 0 HA3 GLY A 51 8.398 17.306 -8.039 1.00 0.00 H new ATOM 801 N GLY A 52 7.684 14.523 -8.348 1.00 0.00 N ATOM 802 CA GLY A 52 7.898 13.105 -8.114 1.00 0.00 C ATOM 803 C GLY A 52 7.271 12.264 -9.229 1.00 0.00 C ATOM 804 O GLY A 52 7.329 12.637 -10.400 1.00 0.00 O ATOM 0 H GLY A 52 6.737 14.849 -8.154 1.00 0.00 H new ATOM 0 HA2 GLY A 52 8.967 12.900 -8.056 1.00 0.00 H new ATOM 0 HA3 GLY A 52 7.467 12.822 -7.154 1.00 0.00 H new ATOM 808 N ASP A 53 6.687 11.146 -8.825 1.00 0.00 N ATOM 809 CA ASP A 53 6.050 10.249 -9.775 1.00 0.00 C ATOM 810 C ASP A 53 4.533 10.306 -9.584 1.00 0.00 C ATOM 811 O ASP A 53 4.021 9.914 -8.536 1.00 0.00 O ATOM 812 CB ASP A 53 6.501 8.805 -9.556 1.00 0.00 C ATOM 813 CG ASP A 53 6.839 8.445 -8.108 1.00 0.00 C ATOM 814 OD1 ASP A 53 5.957 8.662 -7.248 1.00 0.00 O ATOM 815 OD2 ASP A 53 7.971 7.961 -7.893 1.00 0.00 O ATOM 0 H ASP A 53 6.641 10.840 -7.853 1.00 0.00 H new ATOM 0 HA ASP A 53 6.331 10.565 -10.779 1.00 0.00 H new ATOM 0 HB2 ASP A 53 5.714 8.137 -9.906 1.00 0.00 H new ATOM 0 HB3 ASP A 53 7.378 8.616 -10.175 1.00 0.00 H new ATOM 820 N ALA A 54 3.856 10.795 -10.612 1.00 0.00 N ATOM 821 CA ALA A 54 2.408 10.907 -10.570 1.00 0.00 C ATOM 822 C ALA A 54 1.786 9.625 -11.126 1.00 0.00 C ATOM 823 O ALA A 54 0.608 9.354 -10.898 1.00 0.00 O ATOM 824 CB ALA A 54 1.970 12.152 -11.344 1.00 0.00 C ATOM 0 H ALA A 54 4.284 11.118 -11.480 1.00 0.00 H new ATOM 0 HA ALA A 54 2.061 11.023 -9.543 1.00 0.00 H new ATOM 0 HB1 ALA A 54 0.884 12.236 -11.313 1.00 0.00 H new ATOM 0 HB2 ALA A 54 2.416 13.038 -10.891 1.00 0.00 H new ATOM 0 HB3 ALA A 54 2.298 12.070 -12.380 1.00 0.00 H new ATOM 830 N THR A 55 2.605 8.871 -11.845 1.00 0.00 N ATOM 831 CA THR A 55 2.148 7.624 -12.435 1.00 0.00 C ATOM 832 C THR A 55 1.431 6.769 -11.388 1.00 0.00 C ATOM 833 O THR A 55 0.582 5.947 -11.728 1.00 0.00 O ATOM 834 CB THR A 55 3.358 6.929 -13.063 1.00 0.00 C ATOM 835 OG1 THR A 55 2.938 5.576 -13.219 1.00 0.00 O ATOM 836 CG2 THR A 55 4.547 6.841 -12.104 1.00 0.00 C ATOM 0 H THR A 55 3.581 9.099 -12.032 1.00 0.00 H new ATOM 0 HA THR A 55 1.413 7.803 -13.220 1.00 0.00 H new ATOM 0 HB THR A 55 3.657 7.465 -13.963 1.00 0.00 H new ATOM 0 HG1 THR A 55 3.662 5.053 -13.622 1.00 0.00 H new ATOM 0 HG21 THR A 55 5.378 6.339 -12.600 1.00 0.00 H new ATOM 0 HG22 THR A 55 4.853 7.845 -11.810 1.00 0.00 H new ATOM 0 HG23 THR A 55 4.259 6.276 -11.218 1.00 0.00 H new ATOM 844 N GLU A 56 1.799 6.992 -10.135 1.00 0.00 N ATOM 845 CA GLU A 56 1.202 6.254 -9.036 1.00 0.00 C ATOM 846 C GLU A 56 -0.208 6.774 -8.751 1.00 0.00 C ATOM 847 O GLU A 56 -1.126 5.990 -8.510 1.00 0.00 O ATOM 848 CB GLU A 56 2.077 6.329 -7.784 1.00 0.00 C ATOM 849 CG GLU A 56 2.653 7.735 -7.600 1.00 0.00 C ATOM 850 CD GLU A 56 2.685 8.127 -6.122 1.00 0.00 C ATOM 851 OE1 GLU A 56 1.589 8.167 -5.521 1.00 0.00 O ATOM 852 OE2 GLU A 56 3.804 8.376 -5.625 1.00 0.00 O ATOM 0 H GLU A 56 2.504 7.674 -9.857 1.00 0.00 H new ATOM 0 HA GLU A 56 1.130 5.206 -9.326 1.00 0.00 H new ATOM 0 HB2 GLU A 56 1.489 6.056 -6.908 1.00 0.00 H new ATOM 0 HB3 GLU A 56 2.890 5.606 -7.860 1.00 0.00 H new ATOM 0 HG2 GLU A 56 3.661 7.775 -8.012 1.00 0.00 H new ATOM 0 HG3 GLU A 56 2.052 8.454 -8.157 1.00 0.00 H new ATOM 859 N ASN A 57 -0.337 8.091 -8.788 1.00 0.00 N ATOM 860 CA ASN A 57 -1.620 8.725 -8.537 1.00 0.00 C ATOM 861 C ASN A 57 -2.419 8.785 -9.840 1.00 0.00 C ATOM 862 O ASN A 57 -3.649 8.779 -9.819 1.00 0.00 O ATOM 863 CB ASN A 57 -1.438 10.157 -8.029 1.00 0.00 C ATOM 864 CG ASN A 57 -1.200 10.177 -6.518 1.00 0.00 C ATOM 865 OD1 ASN A 57 -0.176 9.741 -6.018 1.00 0.00 O ATOM 866 ND2 ASN A 57 -2.201 10.707 -5.820 1.00 0.00 N ATOM 0 H ASN A 57 0.426 8.737 -8.988 1.00 0.00 H new ATOM 0 HA ASN A 57 -2.143 8.138 -7.782 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -0.595 10.623 -8.540 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -2.322 10.747 -8.269 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -2.139 10.767 -4.804 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -3.031 11.054 -6.301 1.00 0.00 H new ATOM 873 N PHE A 58 -1.688 8.839 -10.943 1.00 0.00 N ATOM 874 CA PHE A 58 -2.313 8.899 -12.254 1.00 0.00 C ATOM 875 C PHE A 58 -2.922 7.548 -12.632 1.00 0.00 C ATOM 876 O PHE A 58 -4.006 7.492 -13.212 1.00 0.00 O ATOM 877 CB PHE A 58 -1.213 9.249 -13.258 1.00 0.00 C ATOM 878 CG PHE A 58 -1.588 8.965 -14.714 1.00 0.00 C ATOM 879 CD1 PHE A 58 -1.729 7.682 -15.143 1.00 0.00 C ATOM 880 CD2 PHE A 58 -1.779 9.996 -15.580 1.00 0.00 C ATOM 881 CE1 PHE A 58 -2.077 7.419 -16.494 1.00 0.00 C ATOM 882 CE2 PHE A 58 -2.127 9.733 -16.931 1.00 0.00 C ATOM 883 CZ PHE A 58 -2.269 8.449 -17.360 1.00 0.00 C ATOM 0 H PHE A 58 -0.668 8.842 -10.956 1.00 0.00 H new ATOM 0 HA PHE A 58 -3.112 9.640 -12.252 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -0.965 10.306 -13.157 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -0.314 8.685 -13.008 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -1.576 6.863 -14.456 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -1.666 11.015 -15.240 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -2.189 6.400 -16.834 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -2.279 10.552 -17.619 1.00 0.00 H new ATOM 0 HZ PHE A 58 -2.534 8.249 -18.388 1.00 0.00 H new ATOM 893 N GLU A 59 -2.200 6.492 -12.289 1.00 0.00 N ATOM 894 CA GLU A 59 -2.656 5.144 -12.586 1.00 0.00 C ATOM 895 C GLU A 59 -3.752 4.727 -11.603 1.00 0.00 C ATOM 896 O GLU A 59 -4.525 3.810 -11.882 1.00 0.00 O ATOM 897 CB GLU A 59 -1.491 4.154 -12.562 1.00 0.00 C ATOM 898 CG GLU A 59 -0.996 3.923 -11.133 1.00 0.00 C ATOM 899 CD GLU A 59 -1.887 2.919 -10.399 1.00 0.00 C ATOM 900 OE1 GLU A 59 -2.248 1.907 -11.039 1.00 0.00 O ATOM 901 OE2 GLU A 59 -2.188 3.185 -9.215 1.00 0.00 O ATOM 0 H GLU A 59 -1.302 6.542 -11.808 1.00 0.00 H new ATOM 0 HA GLU A 59 -3.075 5.135 -13.592 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -1.806 3.206 -12.999 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -0.674 4.533 -13.177 1.00 0.00 H new ATOM 0 HG2 GLU A 59 0.030 3.556 -11.155 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -0.985 4.869 -10.591 1.00 0.00 H new ATOM 908 N ASP A 60 -3.785 5.418 -10.474 1.00 0.00 N ATOM 909 CA ASP A 60 -4.773 5.131 -9.448 1.00 0.00 C ATOM 910 C ASP A 60 -6.175 5.284 -10.040 1.00 0.00 C ATOM 911 O ASP A 60 -6.983 4.358 -9.982 1.00 0.00 O ATOM 912 CB ASP A 60 -4.647 6.103 -8.274 1.00 0.00 C ATOM 913 CG ASP A 60 -5.905 6.246 -7.414 1.00 0.00 C ATOM 914 OD1 ASP A 60 -6.126 5.344 -6.579 1.00 0.00 O ATOM 915 OD2 ASP A 60 -6.617 7.254 -7.614 1.00 0.00 O ATOM 0 H ASP A 60 -3.143 6.177 -10.247 1.00 0.00 H new ATOM 0 HA ASP A 60 -4.605 4.114 -9.093 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -3.825 5.775 -7.637 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -4.377 7.085 -8.662 1.00 0.00 H new ATOM 920 N VAL A 61 -6.423 6.460 -10.598 1.00 0.00 N ATOM 921 CA VAL A 61 -7.713 6.746 -11.200 1.00 0.00 C ATOM 922 C VAL A 61 -7.939 5.805 -12.384 1.00 0.00 C ATOM 923 O VAL A 61 -9.072 5.617 -12.826 1.00 0.00 O ATOM 924 CB VAL A 61 -7.794 8.224 -11.587 1.00 0.00 C ATOM 925 CG1 VAL A 61 -6.470 8.707 -12.184 1.00 0.00 C ATOM 926 CG2 VAL A 61 -8.955 8.476 -12.552 1.00 0.00 C ATOM 0 H VAL A 61 -5.751 7.226 -10.646 1.00 0.00 H new ATOM 0 HA VAL A 61 -8.516 6.567 -10.485 1.00 0.00 H new ATOM 0 HB VAL A 61 -7.982 8.798 -10.680 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -6.554 9.761 -12.451 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -5.673 8.581 -11.451 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -6.239 8.124 -13.076 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -8.990 9.534 -12.811 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -8.811 7.886 -13.457 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -9.892 8.188 -12.076 1.00 0.00 H new ATOM 936 N GLY A 62 -6.843 5.238 -12.866 1.00 0.00 N ATOM 937 CA GLY A 62 -6.907 4.320 -13.990 1.00 0.00 C ATOM 938 C GLY A 62 -7.244 5.062 -15.285 1.00 0.00 C ATOM 939 O GLY A 62 -8.378 5.009 -15.757 1.00 0.00 O ATOM 0 H GLY A 62 -5.905 5.397 -12.498 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -5.952 3.806 -14.099 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -7.660 3.556 -13.798 1.00 0.00 H new ATOM 943 N HIS A 63 -6.239 5.736 -15.822 1.00 0.00 N ATOM 944 CA HIS A 63 -6.414 6.488 -17.053 1.00 0.00 C ATOM 945 C HIS A 63 -6.564 5.520 -18.229 1.00 0.00 C ATOM 946 O HIS A 63 -5.847 4.524 -18.312 1.00 0.00 O ATOM 947 CB HIS A 63 -5.270 7.486 -17.249 1.00 0.00 C ATOM 948 CG HIS A 63 -5.354 8.699 -16.354 1.00 0.00 C ATOM 949 ND1 HIS A 63 -4.630 8.818 -15.181 1.00 0.00 N ATOM 950 CD2 HIS A 63 -6.083 9.846 -16.474 1.00 0.00 C ATOM 951 CE1 HIS A 63 -4.919 9.987 -14.627 1.00 0.00 C ATOM 952 NE2 HIS A 63 -5.820 10.623 -15.430 1.00 0.00 N ATOM 0 H HIS A 63 -5.299 5.777 -15.427 1.00 0.00 H new ATOM 0 HA HIS A 63 -7.328 7.079 -16.995 1.00 0.00 H new ATOM 0 HB2 HIS A 63 -4.323 6.978 -17.067 1.00 0.00 H new ATOM 0 HB3 HIS A 63 -5.261 7.814 -18.288 1.00 0.00 H new ATOM 0 HD1 HIS A 63 -3.983 8.124 -14.806 1.00 0.00 H new ATOM 0 HD2 HIS A 63 -6.760 10.082 -17.282 1.00 0.00 H new ATOM 0 HE1 HIS A 63 -4.513 10.369 -13.702 1.00 0.00 H new ATOM 960 N SER A 64 -7.501 5.848 -19.107 1.00 0.00 N ATOM 961 CA SER A 64 -7.754 5.020 -20.274 1.00 0.00 C ATOM 962 C SER A 64 -6.436 4.686 -20.974 1.00 0.00 C ATOM 963 O SER A 64 -5.457 5.420 -20.846 1.00 0.00 O ATOM 964 CB SER A 64 -8.709 5.715 -21.245 1.00 0.00 C ATOM 965 OG SER A 64 -10.071 5.572 -20.849 1.00 0.00 O ATOM 0 H SER A 64 -8.094 6.675 -19.034 1.00 0.00 H new ATOM 0 HA SER A 64 -8.226 4.095 -19.942 1.00 0.00 H new ATOM 0 HB2 SER A 64 -8.458 6.774 -21.305 1.00 0.00 H new ATOM 0 HB3 SER A 64 -8.576 5.299 -22.244 1.00 0.00 H new ATOM 0 HG SER A 64 -10.649 6.031 -21.494 1.00 0.00 H new ATOM 971 N THR A 65 -6.452 3.578 -21.702 1.00 0.00 N ATOM 972 CA THR A 65 -5.271 3.137 -22.422 1.00 0.00 C ATOM 973 C THR A 65 -5.049 4.005 -23.663 1.00 0.00 C ATOM 974 O THR A 65 -3.929 4.107 -24.162 1.00 0.00 O ATOM 975 CB THR A 65 -5.438 1.651 -22.743 1.00 0.00 C ATOM 976 OG1 THR A 65 -6.368 1.630 -23.821 1.00 0.00 O ATOM 977 CG2 THR A 65 -6.150 0.887 -21.623 1.00 0.00 C ATOM 0 H THR A 65 -7.266 2.973 -21.808 1.00 0.00 H new ATOM 0 HA THR A 65 -4.373 3.253 -21.816 1.00 0.00 H new ATOM 0 HB THR A 65 -4.459 1.207 -22.922 1.00 0.00 H new ATOM 0 HG1 THR A 65 -6.532 0.703 -24.093 1.00 0.00 H new ATOM 0 HG21 THR A 65 -6.243 -0.163 -21.901 1.00 0.00 H new ATOM 0 HG22 THR A 65 -5.572 0.969 -20.702 1.00 0.00 H new ATOM 0 HG23 THR A 65 -7.142 1.310 -21.467 1.00 0.00 H new ATOM 985 N ASP A 66 -6.134 4.607 -24.126 1.00 0.00 N ATOM 986 CA ASP A 66 -6.072 5.462 -25.299 1.00 0.00 C ATOM 987 C ASP A 66 -5.978 6.923 -24.855 1.00 0.00 C ATOM 988 O ASP A 66 -6.229 7.833 -25.644 1.00 0.00 O ATOM 989 CB ASP A 66 -7.329 5.310 -26.159 1.00 0.00 C ATOM 990 CG ASP A 66 -7.196 4.336 -27.331 1.00 0.00 C ATOM 991 OD1 ASP A 66 -6.105 4.326 -27.941 1.00 0.00 O ATOM 992 OD2 ASP A 66 -8.190 3.623 -27.590 1.00 0.00 O ATOM 0 H ASP A 66 -7.061 4.520 -23.710 1.00 0.00 H new ATOM 0 HA ASP A 66 -5.198 5.171 -25.882 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -8.149 4.979 -25.522 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -7.605 6.290 -26.550 1.00 0.00 H new ATOM 997 N VAL A 67 -5.614 7.103 -23.594 1.00 0.00 N ATOM 998 CA VAL A 67 -5.483 8.438 -23.035 1.00 0.00 C ATOM 999 C VAL A 67 -4.262 9.126 -23.651 1.00 0.00 C ATOM 1000 O VAL A 67 -4.311 10.311 -23.976 1.00 0.00 O ATOM 1001 CB VAL A 67 -5.419 8.363 -21.508 1.00 0.00 C ATOM 1002 CG1 VAL A 67 -3.984 8.139 -21.028 1.00 0.00 C ATOM 1003 CG2 VAL A 67 -6.020 9.618 -20.873 1.00 0.00 C ATOM 0 H VAL A 67 -5.406 6.346 -22.943 1.00 0.00 H new ATOM 0 HA VAL A 67 -6.356 9.042 -23.281 1.00 0.00 H new ATOM 0 HB VAL A 67 -6.015 7.507 -21.190 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -3.968 8.090 -19.939 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -3.605 7.204 -21.439 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -3.355 8.964 -21.363 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -5.962 9.540 -19.787 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -5.464 10.495 -21.204 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -7.063 9.715 -21.175 1.00 0.00 H new ATOM 1013 N ARG A 68 -3.195 8.353 -23.791 1.00 0.00 N ATOM 1014 CA ARG A 68 -1.964 8.872 -24.361 1.00 0.00 C ATOM 1015 C ARG A 68 -2.273 9.778 -25.555 1.00 0.00 C ATOM 1016 O ARG A 68 -1.582 10.770 -25.781 1.00 0.00 O ATOM 1017 CB ARG A 68 -1.045 7.736 -24.816 1.00 0.00 C ATOM 1018 CG ARG A 68 0.280 8.284 -25.350 1.00 0.00 C ATOM 1019 CD ARG A 68 0.427 8.003 -26.847 1.00 0.00 C ATOM 1020 NE ARG A 68 1.715 7.323 -27.110 1.00 0.00 N ATOM 1021 CZ ARG A 68 2.204 7.090 -28.336 1.00 0.00 C ATOM 1022 NH1 ARG A 68 1.517 7.480 -29.417 1.00 0.00 N ATOM 1023 NH2 ARG A 68 3.381 6.466 -28.479 1.00 0.00 N ATOM 0 H ARG A 68 -3.158 7.371 -23.519 1.00 0.00 H new ATOM 0 HA ARG A 68 -1.456 9.446 -23.586 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -0.854 7.061 -23.981 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -1.540 7.151 -25.591 1.00 0.00 H new ATOM 0 HG2 ARG A 68 0.332 9.358 -25.171 1.00 0.00 H new ATOM 0 HG3 ARG A 68 1.110 7.830 -24.808 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -0.399 7.381 -27.192 1.00 0.00 H new ATOM 0 HD3 ARG A 68 0.378 8.937 -27.407 1.00 0.00 H new ATOM 0 HE ARG A 68 2.264 7.012 -26.309 1.00 0.00 H new ATOM 0 HH11 ARG A 68 0.621 7.955 -29.308 1.00 0.00 H new ATOM 0 HH12 ARG A 68 1.890 7.302 -30.350 1.00 0.00 H new ATOM 0 HH21 ARG A 68 3.904 6.169 -27.655 1.00 0.00 H new ATOM 0 HH22 ARG A 68 3.754 6.288 -29.412 1.00 0.00 H new ATOM 1037 N GLU A 69 -3.312 9.405 -26.287 1.00 0.00 N ATOM 1038 CA GLU A 69 -3.721 10.172 -27.451 1.00 0.00 C ATOM 1039 C GLU A 69 -3.897 11.646 -27.081 1.00 0.00 C ATOM 1040 O GLU A 69 -3.603 12.530 -27.885 1.00 0.00 O ATOM 1041 CB GLU A 69 -5.005 9.602 -28.059 1.00 0.00 C ATOM 1042 CG GLU A 69 -6.242 10.173 -27.362 1.00 0.00 C ATOM 1043 CD GLU A 69 -7.478 9.321 -27.654 1.00 0.00 C ATOM 1044 OE1 GLU A 69 -7.297 8.093 -27.809 1.00 0.00 O ATOM 1045 OE2 GLU A 69 -8.576 9.914 -27.716 1.00 0.00 O ATOM 0 H GLU A 69 -3.883 8.582 -26.097 1.00 0.00 H new ATOM 0 HA GLU A 69 -2.937 10.098 -28.204 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -5.043 9.835 -29.123 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -5.002 8.516 -27.971 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -6.071 10.215 -26.286 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -6.413 11.196 -27.698 1.00 0.00 H new ATOM 1052 N LEU A 70 -4.375 11.865 -25.866 1.00 0.00 N ATOM 1053 CA LEU A 70 -4.592 13.217 -25.380 1.00 0.00 C ATOM 1054 C LEU A 70 -3.256 13.961 -25.337 1.00 0.00 C ATOM 1055 O LEU A 70 -3.072 14.955 -26.036 1.00 0.00 O ATOM 1056 CB LEU A 70 -5.326 13.192 -24.037 1.00 0.00 C ATOM 1057 CG LEU A 70 -6.849 13.314 -24.103 1.00 0.00 C ATOM 1058 CD1 LEU A 70 -7.272 14.753 -24.404 1.00 0.00 C ATOM 1059 CD2 LEU A 70 -7.436 12.322 -25.110 1.00 0.00 C ATOM 0 H LEU A 70 -4.618 11.129 -25.203 1.00 0.00 H new ATOM 0 HA LEU A 70 -5.241 13.767 -26.062 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -5.078 12.261 -23.527 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -4.943 14.005 -23.421 1.00 0.00 H new ATOM 0 HG LEU A 70 -7.254 13.057 -23.124 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -8.360 14.811 -24.445 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -6.903 15.413 -23.619 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -6.855 15.062 -25.363 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -8.520 12.430 -25.137 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -7.026 12.523 -26.100 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -7.180 11.306 -24.811 1.00 0.00 H new ATOM 1071 N SER A 71 -2.357 13.448 -24.509 1.00 0.00 N ATOM 1072 CA SER A 71 -1.043 14.051 -24.366 1.00 0.00 C ATOM 1073 C SER A 71 -0.188 13.740 -25.595 1.00 0.00 C ATOM 1074 O SER A 71 0.894 13.168 -25.475 1.00 0.00 O ATOM 1075 CB SER A 71 -0.346 13.558 -23.096 1.00 0.00 C ATOM 1076 OG SER A 71 -0.490 14.477 -22.016 1.00 0.00 O ATOM 0 H SER A 71 -2.513 12.622 -23.931 1.00 0.00 H new ATOM 0 HA SER A 71 -1.169 15.130 -24.283 1.00 0.00 H new ATOM 0 HB2 SER A 71 -0.760 12.592 -22.807 1.00 0.00 H new ATOM 0 HB3 SER A 71 0.713 13.403 -23.301 1.00 0.00 H new ATOM 0 HG SER A 71 -0.175 14.060 -21.187 1.00 0.00 H new ATOM 1082 N LYS A 72 -0.704 14.133 -26.750 1.00 0.00 N ATOM 1083 CA LYS A 72 -0.002 13.904 -28.002 1.00 0.00 C ATOM 1084 C LYS A 72 1.058 14.991 -28.193 1.00 0.00 C ATOM 1085 O LYS A 72 2.176 14.705 -28.620 1.00 0.00 O ATOM 1086 CB LYS A 72 -0.993 13.801 -29.162 1.00 0.00 C ATOM 1087 CG LYS A 72 -0.851 12.461 -29.887 1.00 0.00 C ATOM 1088 CD LYS A 72 -0.325 12.660 -31.310 1.00 0.00 C ATOM 1089 CE LYS A 72 1.176 12.372 -31.383 1.00 0.00 C ATOM 1090 NZ LYS A 72 1.929 13.614 -31.667 1.00 0.00 N ATOM 0 H LYS A 72 -1.601 14.609 -26.846 1.00 0.00 H new ATOM 0 HA LYS A 72 0.521 12.948 -27.976 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -2.011 13.909 -28.786 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -0.823 14.618 -29.863 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -0.172 11.813 -29.332 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -1.817 11.957 -29.920 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -0.859 12.002 -31.995 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -0.519 13.682 -31.634 1.00 0.00 H new ATOM 0 HE2 LYS A 72 1.516 11.941 -30.441 1.00 0.00 H new ATOM 0 HE3 LYS A 72 1.373 11.634 -32.161 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 2.861 13.373 -32.059 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 1.402 14.190 -32.355 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 2.053 14.154 -30.787 1.00 0.00 H new ATOM 1104 N THR A 73 0.670 16.216 -27.868 1.00 0.00 N ATOM 1105 CA THR A 73 1.571 17.346 -27.999 1.00 0.00 C ATOM 1106 C THR A 73 1.979 17.866 -26.618 1.00 0.00 C ATOM 1107 O THR A 73 2.857 18.720 -26.507 1.00 0.00 O ATOM 1108 CB THR A 73 0.885 18.401 -28.868 1.00 0.00 C ATOM 1109 OG1 THR A 73 1.043 17.914 -30.197 1.00 0.00 O ATOM 1110 CG2 THR A 73 1.633 19.736 -28.869 1.00 0.00 C ATOM 0 H THR A 73 -0.258 16.449 -27.514 1.00 0.00 H new ATOM 0 HA THR A 73 2.500 17.056 -28.490 1.00 0.00 H new ATOM 0 HB THR A 73 -0.134 18.556 -28.513 1.00 0.00 H new ATOM 0 HG1 THR A 73 0.625 18.538 -30.826 1.00 0.00 H new ATOM 0 HG21 THR A 73 1.104 20.449 -29.501 1.00 0.00 H new ATOM 0 HG22 THR A 73 1.687 20.123 -27.852 1.00 0.00 H new ATOM 0 HG23 THR A 73 2.641 19.588 -29.255 1.00 0.00 H new ATOM 1118 N TYR A 74 1.319 17.331 -25.601 1.00 0.00 N ATOM 1119 CA TYR A 74 1.601 17.730 -24.233 1.00 0.00 C ATOM 1120 C TYR A 74 2.714 16.871 -23.629 1.00 0.00 C ATOM 1121 O TYR A 74 2.748 16.656 -22.419 1.00 0.00 O ATOM 1122 CB TYR A 74 0.308 17.493 -23.450 1.00 0.00 C ATOM 1123 CG TYR A 74 -0.908 18.227 -24.021 1.00 0.00 C ATOM 1124 CD1 TYR A 74 -0.747 19.445 -24.650 1.00 0.00 C ATOM 1125 CD2 TYR A 74 -2.165 17.670 -23.906 1.00 0.00 C ATOM 1126 CE1 TYR A 74 -1.891 20.135 -25.187 1.00 0.00 C ATOM 1127 CE2 TYR A 74 -3.309 18.360 -24.443 1.00 0.00 C ATOM 1128 CZ TYR A 74 -3.115 19.559 -25.057 1.00 0.00 C ATOM 1129 OH TYR A 74 -4.197 20.210 -25.564 1.00 0.00 O ATOM 0 H TYR A 74 0.590 16.624 -25.697 1.00 0.00 H new ATOM 0 HA TYR A 74 1.928 18.769 -24.196 1.00 0.00 H new ATOM 0 HB2 TYR A 74 0.098 16.424 -23.430 1.00 0.00 H new ATOM 0 HB3 TYR A 74 0.458 17.808 -22.417 1.00 0.00 H new ATOM 0 HD1 TYR A 74 0.237 19.881 -24.739 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -2.291 16.717 -23.414 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -1.779 21.088 -25.682 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -4.299 17.936 -24.360 1.00 0.00 H new ATOM 0 HH TYR A 74 -5.005 19.680 -25.399 1.00 0.00 H new ATOM 1139 N ILE A 75 3.595 16.403 -24.500 1.00 0.00 N ATOM 1140 CA ILE A 75 4.706 15.571 -24.068 1.00 0.00 C ATOM 1141 C ILE A 75 5.987 16.407 -24.052 1.00 0.00 C ATOM 1142 O ILE A 75 6.127 17.350 -24.831 1.00 0.00 O ATOM 1143 CB ILE A 75 4.803 14.313 -24.934 1.00 0.00 C ATOM 1144 CG1 ILE A 75 3.998 13.165 -24.323 1.00 0.00 C ATOM 1145 CG2 ILE A 75 6.262 13.926 -25.176 1.00 0.00 C ATOM 1146 CD1 ILE A 75 4.663 12.649 -23.044 1.00 0.00 C ATOM 0 H ILE A 75 3.563 16.584 -25.503 1.00 0.00 H new ATOM 0 HA ILE A 75 4.543 15.217 -23.050 1.00 0.00 H new ATOM 0 HB ILE A 75 4.363 14.532 -25.907 1.00 0.00 H new ATOM 0 HG12 ILE A 75 2.986 13.504 -24.100 1.00 0.00 H new ATOM 0 HG13 ILE A 75 3.910 12.353 -25.045 1.00 0.00 H new ATOM 0 HG21 ILE A 75 6.303 13.029 -25.794 1.00 0.00 H new ATOM 0 HG22 ILE A 75 6.775 14.742 -25.686 1.00 0.00 H new ATOM 0 HG23 ILE A 75 6.750 13.731 -24.221 1.00 0.00 H new ATOM 0 HD11 ILE A 75 4.071 11.833 -22.630 1.00 0.00 H new ATOM 0 HD12 ILE A 75 5.665 12.289 -23.275 1.00 0.00 H new ATOM 0 HD13 ILE A 75 4.727 13.457 -22.316 1.00 0.00 H new ATOM 1158 N ILE A 76 6.890 16.031 -23.158 1.00 0.00 N ATOM 1159 CA ILE A 76 8.155 16.736 -23.031 1.00 0.00 C ATOM 1160 C ILE A 76 9.298 15.791 -23.406 1.00 0.00 C ATOM 1161 O ILE A 76 10.206 16.170 -24.145 1.00 0.00 O ATOM 1162 CB ILE A 76 8.292 17.344 -21.635 1.00 0.00 C ATOM 1163 CG1 ILE A 76 9.379 16.630 -20.830 1.00 0.00 C ATOM 1164 CG2 ILE A 76 6.948 17.349 -20.904 1.00 0.00 C ATOM 1165 CD1 ILE A 76 9.893 17.518 -19.694 1.00 0.00 C ATOM 0 H ILE A 76 6.771 15.248 -22.515 1.00 0.00 H new ATOM 0 HA ILE A 76 8.195 17.577 -23.723 1.00 0.00 H new ATOM 0 HB ILE A 76 8.603 18.383 -21.745 1.00 0.00 H new ATOM 0 HG12 ILE A 76 8.982 15.702 -20.419 1.00 0.00 H new ATOM 0 HG13 ILE A 76 10.205 16.360 -21.488 1.00 0.00 H new ATOM 0 HG21 ILE A 76 7.074 17.787 -19.914 1.00 0.00 H new ATOM 0 HG22 ILE A 76 6.227 17.937 -21.472 1.00 0.00 H new ATOM 0 HG23 ILE A 76 6.584 16.326 -20.805 1.00 0.00 H new ATOM 0 HD11 ILE A 76 10.665 16.986 -19.137 1.00 0.00 H new ATOM 0 HD12 ILE A 76 10.311 18.435 -20.110 1.00 0.00 H new ATOM 0 HD13 ILE A 76 9.069 17.766 -19.025 1.00 0.00 H new ATOM 1177 N GLY A 77 9.218 14.578 -22.879 1.00 0.00 N ATOM 1178 CA GLY A 77 10.236 13.576 -23.147 1.00 0.00 C ATOM 1179 C GLY A 77 10.304 12.547 -22.018 1.00 0.00 C ATOM 1180 O GLY A 77 9.369 11.771 -21.821 1.00 0.00 O ATOM 0 H GLY A 77 8.464 14.266 -22.267 1.00 0.00 H new ATOM 0 HA2 GLY A 77 10.017 13.073 -24.089 1.00 0.00 H new ATOM 0 HA3 GLY A 77 11.206 14.060 -23.262 1.00 0.00 H new ATOM 1184 N GLU A 78 11.420 12.572 -21.303 1.00 0.00 N ATOM 1185 CA GLU A 78 11.622 11.651 -20.198 1.00 0.00 C ATOM 1186 C GLU A 78 12.819 12.090 -19.353 1.00 0.00 C ATOM 1187 O GLU A 78 13.940 12.172 -19.853 1.00 0.00 O ATOM 1188 CB GLU A 78 11.804 10.219 -20.704 1.00 0.00 C ATOM 1189 CG GLU A 78 12.949 10.136 -21.716 1.00 0.00 C ATOM 1190 CD GLU A 78 12.802 8.904 -22.611 1.00 0.00 C ATOM 1191 OE1 GLU A 78 11.689 8.723 -23.148 1.00 0.00 O ATOM 1192 OE2 GLU A 78 13.807 8.172 -22.737 1.00 0.00 O ATOM 0 H GLU A 78 12.194 13.216 -21.468 1.00 0.00 H new ATOM 0 HA GLU A 78 10.732 11.669 -19.569 1.00 0.00 H new ATOM 0 HB2 GLU A 78 12.008 9.556 -19.863 1.00 0.00 H new ATOM 0 HB3 GLU A 78 10.880 9.873 -21.166 1.00 0.00 H new ATOM 0 HG2 GLU A 78 12.962 11.036 -22.330 1.00 0.00 H new ATOM 0 HG3 GLU A 78 13.902 10.095 -21.189 1.00 0.00 H new ATOM 1199 N LEU A 79 12.541 12.363 -18.086 1.00 0.00 N ATOM 1200 CA LEU A 79 13.582 12.792 -17.167 1.00 0.00 C ATOM 1201 C LEU A 79 14.723 11.775 -17.186 1.00 0.00 C ATOM 1202 O LEU A 79 14.518 10.611 -17.523 1.00 0.00 O ATOM 1203 CB LEU A 79 12.998 13.036 -15.774 1.00 0.00 C ATOM 1204 CG LEU A 79 13.125 11.879 -14.782 1.00 0.00 C ATOM 1205 CD1 LEU A 79 12.813 10.541 -15.457 1.00 0.00 C ATOM 1206 CD2 LEU A 79 14.501 11.877 -14.113 1.00 0.00 C ATOM 0 H LEU A 79 11.610 12.295 -17.675 1.00 0.00 H new ATOM 0 HA LEU A 79 14.001 13.747 -17.484 1.00 0.00 H new ATOM 0 HB2 LEU A 79 13.486 13.911 -15.345 1.00 0.00 H new ATOM 0 HB3 LEU A 79 11.941 13.281 -15.882 1.00 0.00 H new ATOM 0 HG LEU A 79 12.385 12.023 -13.994 1.00 0.00 H new ATOM 0 HD11 LEU A 79 12.911 9.735 -14.730 1.00 0.00 H new ATOM 0 HD12 LEU A 79 11.795 10.558 -15.845 1.00 0.00 H new ATOM 0 HD13 LEU A 79 13.511 10.376 -16.277 1.00 0.00 H new ATOM 0 HD21 LEU A 79 14.564 11.044 -13.413 1.00 0.00 H new ATOM 0 HD22 LEU A 79 15.275 11.771 -14.873 1.00 0.00 H new ATOM 0 HD23 LEU A 79 14.646 12.814 -13.576 1.00 0.00 H new ATOM 1218 N HIS A 80 15.904 12.253 -16.820 1.00 0.00 N ATOM 1219 CA HIS A 80 17.080 11.399 -16.791 1.00 0.00 C ATOM 1220 C HIS A 80 16.672 9.976 -16.406 1.00 0.00 C ATOM 1221 O HIS A 80 15.790 9.784 -15.571 1.00 0.00 O ATOM 1222 CB HIS A 80 18.150 11.981 -15.864 1.00 0.00 C ATOM 1223 CG HIS A 80 19.565 11.662 -16.285 1.00 0.00 C ATOM 1224 ND1 HIS A 80 20.334 10.696 -15.659 1.00 0.00 N ATOM 1225 CD2 HIS A 80 20.341 12.189 -17.273 1.00 0.00 C ATOM 1226 CE1 HIS A 80 21.517 10.654 -16.252 1.00 0.00 C ATOM 1227 NE2 HIS A 80 21.520 11.580 -17.252 1.00 0.00 N ATOM 0 H HIS A 80 16.072 13.220 -16.541 1.00 0.00 H new ATOM 0 HA HIS A 80 17.527 11.355 -17.784 1.00 0.00 H new ATOM 0 HB2 HIS A 80 18.030 13.063 -15.821 1.00 0.00 H new ATOM 0 HB3 HIS A 80 17.988 11.602 -14.855 1.00 0.00 H new ATOM 0 HD2 HIS A 80 20.046 12.970 -17.958 1.00 0.00 H new ATOM 0 HE1 HIS A 80 22.336 10.001 -15.989 1.00 0.00 H new ATOM 0 HE2 HIS A 80 22.300 11.773 -17.881 1.00 0.00 H new ATOM 1235 N PRO A 81 17.351 8.989 -17.050 1.00 0.00 N ATOM 1236 CA PRO A 81 17.067 7.589 -16.784 1.00 0.00 C ATOM 1237 C PRO A 81 17.652 7.158 -15.437 1.00 0.00 C ATOM 1238 O PRO A 81 17.051 6.355 -14.725 1.00 0.00 O ATOM 1239 CB PRO A 81 17.668 6.836 -17.960 1.00 0.00 C ATOM 1240 CG PRO A 81 18.664 7.789 -18.600 1.00 0.00 C ATOM 1241 CD PRO A 81 18.402 9.180 -18.045 1.00 0.00 C ATOM 0 HA PRO A 81 16.000 7.384 -16.700 1.00 0.00 H new ATOM 0 HB2 PRO A 81 18.160 5.922 -17.628 1.00 0.00 H new ATOM 0 HB3 PRO A 81 16.896 6.542 -18.671 1.00 0.00 H new ATOM 0 HG2 PRO A 81 19.685 7.477 -18.381 1.00 0.00 H new ATOM 0 HG3 PRO A 81 18.554 7.784 -19.684 1.00 0.00 H new ATOM 0 HD2 PRO A 81 19.301 9.603 -17.596 1.00 0.00 H new ATOM 0 HD3 PRO A 81 18.084 9.866 -18.830 1.00 0.00 H new ATOM 1249 N ASP A 82 18.814 7.712 -15.128 1.00 0.00 N ATOM 1250 CA ASP A 82 19.486 7.395 -13.879 1.00 0.00 C ATOM 1251 C ASP A 82 18.614 7.849 -12.707 1.00 0.00 C ATOM 1252 O ASP A 82 18.446 7.116 -11.733 1.00 0.00 O ATOM 1253 CB ASP A 82 20.829 8.119 -13.777 1.00 0.00 C ATOM 1254 CG ASP A 82 21.983 7.270 -13.238 1.00 0.00 C ATOM 1255 OD1 ASP A 82 21.782 6.653 -12.170 1.00 0.00 O ATOM 1256 OD2 ASP A 82 23.039 7.259 -13.905 1.00 0.00 O ATOM 0 H ASP A 82 19.308 8.379 -15.721 1.00 0.00 H new ATOM 0 HA ASP A 82 19.654 6.318 -13.850 1.00 0.00 H new ATOM 0 HB2 ASP A 82 21.101 8.489 -14.766 1.00 0.00 H new ATOM 0 HB3 ASP A 82 20.707 8.990 -13.133 1.00 0.00 H new ATOM 1261 N ASP A 83 18.082 9.055 -12.838 1.00 0.00 N ATOM 1262 CA ASP A 83 17.230 9.615 -11.803 1.00 0.00 C ATOM 1263 C ASP A 83 15.915 8.836 -11.753 1.00 0.00 C ATOM 1264 O ASP A 83 15.354 8.628 -10.678 1.00 0.00 O ATOM 1265 CB ASP A 83 16.901 11.081 -12.094 1.00 0.00 C ATOM 1266 CG ASP A 83 17.976 12.082 -11.666 1.00 0.00 C ATOM 1267 OD1 ASP A 83 19.096 11.982 -12.212 1.00 0.00 O ATOM 1268 OD2 ASP A 83 17.654 12.925 -10.801 1.00 0.00 O ATOM 0 H ASP A 83 18.225 9.661 -13.646 1.00 0.00 H new ATOM 0 HA ASP A 83 17.763 9.546 -10.854 1.00 0.00 H new ATOM 0 HB2 ASP A 83 16.727 11.193 -13.164 1.00 0.00 H new ATOM 0 HB3 ASP A 83 15.968 11.335 -11.591 1.00 0.00 H new ATOM 1273 N ARG A 84 15.463 8.426 -12.928 1.00 0.00 N ATOM 1274 CA ARG A 84 14.223 7.675 -13.032 1.00 0.00 C ATOM 1275 C ARG A 84 14.359 6.326 -12.322 1.00 0.00 C ATOM 1276 O ARG A 84 13.423 5.866 -11.670 1.00 0.00 O ATOM 1277 CB ARG A 84 13.844 7.436 -14.495 1.00 0.00 C ATOM 1278 CG ARG A 84 13.089 6.115 -14.658 1.00 0.00 C ATOM 1279 CD ARG A 84 14.026 5.004 -15.134 1.00 0.00 C ATOM 1280 NE ARG A 84 13.976 4.898 -16.610 1.00 0.00 N ATOM 1281 CZ ARG A 84 14.336 3.806 -17.297 1.00 0.00 C ATOM 1282 NH1 ARG A 84 14.774 2.719 -16.647 1.00 0.00 N ATOM 1283 NH2 ARG A 84 14.259 3.800 -18.635 1.00 0.00 N ATOM 0 H ARG A 84 15.933 8.599 -13.817 1.00 0.00 H new ATOM 0 HA ARG A 84 13.438 8.264 -12.557 1.00 0.00 H new ATOM 0 HB2 ARG A 84 13.225 8.259 -14.853 1.00 0.00 H new ATOM 0 HB3 ARG A 84 14.744 7.423 -15.110 1.00 0.00 H new ATOM 0 HG2 ARG A 84 12.636 5.831 -13.708 1.00 0.00 H new ATOM 0 HG3 ARG A 84 12.277 6.242 -15.374 1.00 0.00 H new ATOM 0 HD2 ARG A 84 15.046 5.213 -14.810 1.00 0.00 H new ATOM 0 HD3 ARG A 84 13.737 4.055 -14.683 1.00 0.00 H new ATOM 0 HE ARG A 84 13.647 5.707 -17.137 1.00 0.00 H new ATOM 0 HH11 ARG A 84 14.833 2.723 -15.629 1.00 0.00 H new ATOM 0 HH12 ARG A 84 15.048 1.888 -17.171 1.00 0.00 H new ATOM 0 HH21 ARG A 84 13.926 4.627 -19.130 1.00 0.00 H new ATOM 0 HH22 ARG A 84 14.533 2.968 -19.158 1.00 0.00 H new ATOM 1297 N SER A 85 15.533 5.730 -12.473 1.00 0.00 N ATOM 1298 CA SER A 85 15.804 4.443 -11.854 1.00 0.00 C ATOM 1299 C SER A 85 16.158 4.637 -10.377 1.00 0.00 C ATOM 1300 O SER A 85 16.168 3.678 -9.607 1.00 0.00 O ATOM 1301 CB SER A 85 16.935 3.711 -12.579 1.00 0.00 C ATOM 1302 OG SER A 85 16.441 2.689 -13.442 1.00 0.00 O ATOM 0 H SER A 85 16.307 6.114 -13.015 1.00 0.00 H new ATOM 0 HA SER A 85 14.905 3.831 -11.928 1.00 0.00 H new ATOM 0 HB2 SER A 85 17.517 4.427 -13.160 1.00 0.00 H new ATOM 0 HB3 SER A 85 17.611 3.271 -11.846 1.00 0.00 H new ATOM 0 HG SER A 85 17.193 2.246 -13.888 1.00 0.00 H new ATOM 1308 N LYS A 86 16.440 5.884 -10.028 1.00 0.00 N ATOM 1309 CA LYS A 86 16.793 6.214 -8.658 1.00 0.00 C ATOM 1310 C LYS A 86 15.520 6.316 -7.817 1.00 0.00 C ATOM 1311 O LYS A 86 15.556 6.122 -6.602 1.00 0.00 O ATOM 1312 CB LYS A 86 17.658 7.476 -8.618 1.00 0.00 C ATOM 1313 CG LYS A 86 19.096 7.170 -9.042 1.00 0.00 C ATOM 1314 CD LYS A 86 20.066 7.370 -7.875 1.00 0.00 C ATOM 1315 CE LYS A 86 21.177 8.353 -8.249 1.00 0.00 C ATOM 1316 NZ LYS A 86 21.546 9.187 -7.083 1.00 0.00 N ATOM 0 H LYS A 86 16.431 6.677 -10.670 1.00 0.00 H new ATOM 0 HA LYS A 86 17.401 5.422 -8.221 1.00 0.00 H new ATOM 0 HB2 LYS A 86 17.234 8.233 -9.278 1.00 0.00 H new ATOM 0 HB3 LYS A 86 17.653 7.893 -7.611 1.00 0.00 H new ATOM 0 HG2 LYS A 86 19.162 6.144 -9.403 1.00 0.00 H new ATOM 0 HG3 LYS A 86 19.380 7.818 -9.871 1.00 0.00 H new ATOM 0 HD2 LYS A 86 19.523 7.742 -7.006 1.00 0.00 H new ATOM 0 HD3 LYS A 86 20.503 6.412 -7.592 1.00 0.00 H new ATOM 0 HE2 LYS A 86 22.051 7.806 -8.603 1.00 0.00 H new ATOM 0 HE3 LYS A 86 20.846 8.990 -9.069 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 22.301 9.848 -7.354 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 20.715 9.723 -6.763 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 21.882 8.576 -6.311 1.00 0.00 H new ATOM 1330 N ILE A 87 14.422 6.617 -8.496 1.00 0.00 N ATOM 1331 CA ILE A 87 13.140 6.746 -7.827 1.00 0.00 C ATOM 1332 C ILE A 87 12.544 5.355 -7.603 1.00 0.00 C ATOM 1333 O ILE A 87 11.428 5.227 -7.103 1.00 0.00 O ATOM 1334 CB ILE A 87 12.221 7.691 -8.605 1.00 0.00 C ATOM 1335 CG1 ILE A 87 12.620 9.150 -8.383 1.00 0.00 C ATOM 1336 CG2 ILE A 87 10.753 7.438 -8.258 1.00 0.00 C ATOM 1337 CD1 ILE A 87 12.183 10.024 -9.561 1.00 0.00 C ATOM 0 H ILE A 87 14.395 6.775 -9.503 1.00 0.00 H new ATOM 0 HA ILE A 87 13.268 7.201 -6.845 1.00 0.00 H new ATOM 0 HB ILE A 87 12.340 7.484 -9.668 1.00 0.00 H new ATOM 0 HG12 ILE A 87 12.165 9.519 -7.464 1.00 0.00 H new ATOM 0 HG13 ILE A 87 13.700 9.220 -8.255 1.00 0.00 H new ATOM 0 HG21 ILE A 87 10.122 8.123 -8.825 1.00 0.00 H new ATOM 0 HG22 ILE A 87 10.491 6.410 -8.510 1.00 0.00 H new ATOM 0 HG23 ILE A 87 10.598 7.600 -7.191 1.00 0.00 H new ATOM 0 HD11 ILE A 87 12.479 11.057 -9.377 1.00 0.00 H new ATOM 0 HD12 ILE A 87 12.658 9.667 -10.475 1.00 0.00 H new ATOM 0 HD13 ILE A 87 11.100 9.971 -9.671 1.00 0.00 H new ATOM 1349 N ALA A 88 13.315 4.347 -7.986 1.00 0.00 N ATOM 1350 CA ALA A 88 12.878 2.970 -7.833 1.00 0.00 C ATOM 1351 C ALA A 88 12.791 2.629 -6.344 1.00 0.00 C ATOM 1352 O ALA A 88 13.525 1.769 -5.857 1.00 0.00 O ATOM 1353 CB ALA A 88 13.834 2.044 -8.589 1.00 0.00 C ATOM 0 H ALA A 88 14.240 4.457 -8.402 1.00 0.00 H new ATOM 0 HA ALA A 88 11.885 2.833 -8.261 1.00 0.00 H new ATOM 0 HB1 ALA A 88 13.506 1.011 -8.474 1.00 0.00 H new ATOM 0 HB2 ALA A 88 13.837 2.309 -9.646 1.00 0.00 H new ATOM 0 HB3 ALA A 88 14.841 2.152 -8.185 1.00 0.00 H new