USER MOD reduce.3.24.130724 H: found=0, std=0, add=670, rem=0, adj=19 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= -8.05! C(o=-9.6!,f=-13!) USER MOD Set 1.2: A 63 HIS : no HE2:sc= -1.53 K(o=-9.6,f=-16!) 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 73:sc= -0.161 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0.00382 USER MOD Single : A 13 GLN : amide:sc= -3.71! C(o=-3.7!,f=-7.6!) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 HIS : no HE2:sc= -15.4! C(o=-15!,f=-12!) USER MOD Single : A 16 LYS NZ :NH3+ 161:sc=-0.00522 (180deg=-0.156) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 21 THR OG1 : rot 41:sc= 0.0329! USER MOD Single : A 26 HIS : no HD1:sc= -0.0832 X(o=-0.083,f=-0.23) USER MOD Single : A 27 HIS : no HD1:sc= -7.75! C(o=-7.8!,f=-5.4!) USER MOD Single : A 28 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.00295) USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot -65:sc= 0.445 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -1.65 K(o=-1.7,f=-2.5!) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 ASN : amide:sc= -0.0119 X(o=-0.012,f=0) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 65 THR OG1 : rot 180:sc= 0.0247 USER MOD Single : A 71 SER OG : rot 170:sc= -0.478 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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= -4.25! C(o=-4.2!,f=-5.9!) USER MOD Single : A 85 SER OG : rot -13:sc= 0.0876 USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 4 15.121 13.268 -27.477 1.00 0.00 N ATOM 2 CA VAL A 4 14.616 13.933 -26.288 1.00 0.00 C ATOM 3 C VAL A 4 15.779 14.211 -25.333 1.00 0.00 C ATOM 4 O VAL A 4 16.761 13.471 -25.312 1.00 0.00 O ATOM 5 CB VAL A 4 13.507 13.094 -25.650 1.00 0.00 C ATOM 6 CG1 VAL A 4 13.712 12.973 -24.138 1.00 0.00 C ATOM 7 CG2 VAL A 4 12.128 13.674 -25.972 1.00 0.00 C ATOM 0 HA VAL A 4 14.170 14.893 -26.547 1.00 0.00 H new ATOM 0 HB VAL A 4 13.557 12.092 -26.076 1.00 0.00 H new ATOM 0 HG11 VAL A 4 12.910 12.372 -23.709 1.00 0.00 H new ATOM 0 HG12 VAL A 4 14.671 12.495 -23.938 1.00 0.00 H new ATOM 0 HG13 VAL A 4 13.701 13.966 -23.689 1.00 0.00 H new ATOM 0 HG21 VAL A 4 11.357 13.059 -25.507 1.00 0.00 H new ATOM 0 HG22 VAL A 4 12.062 14.692 -25.587 1.00 0.00 H new ATOM 0 HG23 VAL A 4 11.981 13.685 -27.052 1.00 0.00 H new ATOM 17 N LYS A 5 15.630 15.282 -24.566 1.00 0.00 N ATOM 18 CA LYS A 5 16.655 15.668 -23.612 1.00 0.00 C ATOM 19 C LYS A 5 16.366 15.005 -22.264 1.00 0.00 C ATOM 20 O LYS A 5 15.239 15.051 -21.774 1.00 0.00 O ATOM 21 CB LYS A 5 16.769 17.191 -23.535 1.00 0.00 C ATOM 22 CG LYS A 5 18.190 17.652 -23.866 1.00 0.00 C ATOM 23 CD LYS A 5 18.211 19.133 -24.251 1.00 0.00 C ATOM 24 CE LYS A 5 18.871 19.975 -23.157 1.00 0.00 C ATOM 25 NZ LYS A 5 18.666 21.417 -23.418 1.00 0.00 N ATOM 0 H LYS A 5 14.814 15.894 -24.586 1.00 0.00 H new ATOM 0 HA LYS A 5 17.633 15.314 -23.940 1.00 0.00 H new ATOM 0 HB2 LYS A 5 16.064 17.648 -24.229 1.00 0.00 H new ATOM 0 HB3 LYS A 5 16.497 17.530 -22.535 1.00 0.00 H new ATOM 0 HG2 LYS A 5 18.839 17.487 -23.006 1.00 0.00 H new ATOM 0 HG3 LYS A 5 18.588 17.054 -24.686 1.00 0.00 H new ATOM 0 HD2 LYS A 5 18.751 19.261 -25.189 1.00 0.00 H new ATOM 0 HD3 LYS A 5 17.193 19.483 -24.420 1.00 0.00 H new ATOM 0 HE2 LYS A 5 18.452 19.712 -22.185 1.00 0.00 H new ATOM 0 HE3 LYS A 5 19.938 19.755 -23.115 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 19.120 21.974 -22.666 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 19.086 21.667 -24.336 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 17.647 21.625 -23.436 1.00 0.00 H new ATOM 39 N TYR A 6 17.404 14.402 -21.702 1.00 0.00 N ATOM 40 CA TYR A 6 17.276 13.730 -20.422 1.00 0.00 C ATOM 41 C TYR A 6 17.531 14.699 -19.266 1.00 0.00 C ATOM 42 O TYR A 6 18.678 14.917 -18.875 1.00 0.00 O ATOM 43 CB TYR A 6 18.352 12.641 -20.406 1.00 0.00 C ATOM 44 CG TYR A 6 18.001 11.407 -21.238 1.00 0.00 C ATOM 45 CD1 TYR A 6 16.723 10.888 -21.197 1.00 0.00 C ATOM 46 CD2 TYR A 6 18.962 10.811 -22.029 1.00 0.00 C ATOM 47 CE1 TYR A 6 16.392 9.725 -21.979 1.00 0.00 C ATOM 48 CE2 TYR A 6 18.631 9.648 -22.812 1.00 0.00 C ATOM 49 CZ TYR A 6 17.362 9.164 -22.749 1.00 0.00 C ATOM 50 OH TYR A 6 17.050 8.066 -23.488 1.00 0.00 O ATOM 0 H TYR A 6 18.338 14.366 -22.111 1.00 0.00 H new ATOM 0 HA TYR A 6 16.271 13.326 -20.300 1.00 0.00 H new ATOM 0 HB2 TYR A 6 19.286 13.063 -20.777 1.00 0.00 H new ATOM 0 HB3 TYR A 6 18.528 12.333 -19.375 1.00 0.00 H new ATOM 0 HD1 TYR A 6 15.971 11.354 -20.578 1.00 0.00 H new ATOM 0 HD2 TYR A 6 19.962 11.217 -22.061 1.00 0.00 H new ATOM 0 HE1 TYR A 6 15.396 9.308 -21.954 1.00 0.00 H new ATOM 0 HE2 TYR A 6 19.374 9.172 -23.435 1.00 0.00 H new ATOM 0 HH TYR A 6 17.840 7.774 -23.989 1.00 0.00 H new ATOM 60 N TYR A 7 16.445 15.255 -18.751 1.00 0.00 N ATOM 61 CA TYR A 7 16.536 16.196 -17.647 1.00 0.00 C ATOM 62 C TYR A 7 16.137 15.534 -16.327 1.00 0.00 C ATOM 63 O TYR A 7 15.087 14.901 -16.239 1.00 0.00 O ATOM 64 CB TYR A 7 15.542 17.315 -17.964 1.00 0.00 C ATOM 65 CG TYR A 7 14.706 17.068 -19.221 1.00 0.00 C ATOM 66 CD1 TYR A 7 13.585 16.265 -19.158 1.00 0.00 C ATOM 67 CD2 TYR A 7 15.074 17.646 -20.419 1.00 0.00 C ATOM 68 CE1 TYR A 7 12.799 16.032 -20.342 1.00 0.00 C ATOM 69 CE2 TYR A 7 14.287 17.413 -21.602 1.00 0.00 C ATOM 70 CZ TYR A 7 13.188 16.618 -21.506 1.00 0.00 C ATOM 71 OH TYR A 7 12.446 16.398 -22.623 1.00 0.00 O ATOM 0 H TYR A 7 15.496 15.072 -19.078 1.00 0.00 H new ATOM 0 HA TYR A 7 17.557 16.562 -17.538 1.00 0.00 H new ATOM 0 HB2 TYR A 7 14.872 17.443 -17.114 1.00 0.00 H new ATOM 0 HB3 TYR A 7 16.089 18.250 -18.082 1.00 0.00 H new ATOM 0 HD1 TYR A 7 13.297 15.812 -18.221 1.00 0.00 H new ATOM 0 HD2 TYR A 7 15.952 18.273 -20.469 1.00 0.00 H new ATOM 0 HE1 TYR A 7 11.920 15.406 -20.306 1.00 0.00 H new ATOM 0 HE2 TYR A 7 14.564 17.860 -22.545 1.00 0.00 H new ATOM 0 HH TYR A 7 11.603 16.894 -22.559 1.00 0.00 H new ATOM 81 N THR A 8 16.998 15.703 -15.334 1.00 0.00 N ATOM 82 CA THR A 8 16.749 15.130 -14.022 1.00 0.00 C ATOM 83 C THR A 8 15.737 15.981 -13.251 1.00 0.00 C ATOM 84 O THR A 8 15.516 17.143 -13.586 1.00 0.00 O ATOM 85 CB THR A 8 18.093 14.986 -13.305 1.00 0.00 C ATOM 86 OG1 THR A 8 18.567 16.325 -13.186 1.00 0.00 O ATOM 87 CG2 THR A 8 19.147 14.294 -14.171 1.00 0.00 C ATOM 0 H THR A 8 17.869 16.229 -15.412 1.00 0.00 H new ATOM 0 HA THR A 8 16.300 14.140 -14.102 1.00 0.00 H new ATOM 0 HB THR A 8 17.954 14.422 -12.382 1.00 0.00 H new ATOM 0 HG1 THR A 8 19.435 16.326 -12.730 1.00 0.00 H new ATOM 0 HG21 THR A 8 20.081 14.217 -13.615 1.00 0.00 H new ATOM 0 HG22 THR A 8 18.800 13.296 -14.438 1.00 0.00 H new ATOM 0 HG23 THR A 8 19.311 14.875 -15.078 1.00 0.00 H new ATOM 95 N LEU A 9 15.151 15.368 -12.234 1.00 0.00 N ATOM 96 CA LEU A 9 14.168 16.054 -11.412 1.00 0.00 C ATOM 97 C LEU A 9 14.628 17.494 -11.171 1.00 0.00 C ATOM 98 O LEU A 9 13.805 18.392 -11.005 1.00 0.00 O ATOM 99 CB LEU A 9 13.901 15.269 -10.127 1.00 0.00 C ATOM 100 CG LEU A 9 13.001 14.040 -10.266 1.00 0.00 C ATOM 101 CD1 LEU A 9 13.358 13.239 -11.520 1.00 0.00 C ATOM 102 CD2 LEU A 9 13.050 13.179 -9.003 1.00 0.00 C ATOM 0 H LEU A 9 15.338 14.403 -11.960 1.00 0.00 H new ATOM 0 HA LEU A 9 13.210 16.107 -11.928 1.00 0.00 H new ATOM 0 HB2 LEU A 9 14.858 14.949 -9.715 1.00 0.00 H new ATOM 0 HB3 LEU A 9 13.450 15.944 -9.399 1.00 0.00 H new ATOM 0 HG LEU A 9 11.972 14.381 -10.383 1.00 0.00 H new ATOM 0 HD11 LEU A 9 12.704 12.371 -11.596 1.00 0.00 H new ATOM 0 HD12 LEU A 9 13.230 13.867 -12.402 1.00 0.00 H new ATOM 0 HD13 LEU A 9 14.395 12.908 -11.457 1.00 0.00 H new ATOM 0 HD21 LEU A 9 12.401 12.312 -9.128 1.00 0.00 H new ATOM 0 HD22 LEU A 9 14.073 12.845 -8.830 1.00 0.00 H new ATOM 0 HD23 LEU A 9 12.711 13.766 -8.149 1.00 0.00 H new ATOM 114 N GLU A 10 15.941 17.667 -11.158 1.00 0.00 N ATOM 115 CA GLU A 10 16.520 18.981 -10.939 1.00 0.00 C ATOM 116 C GLU A 10 15.907 19.999 -11.903 1.00 0.00 C ATOM 117 O GLU A 10 15.979 21.204 -11.668 1.00 0.00 O ATOM 118 CB GLU A 10 18.043 18.940 -11.081 1.00 0.00 C ATOM 119 CG GLU A 10 18.724 19.599 -9.879 1.00 0.00 C ATOM 120 CD GLU A 10 20.182 19.150 -9.760 1.00 0.00 C ATOM 121 OE1 GLU A 10 20.384 17.966 -9.413 1.00 0.00 O ATOM 122 OE2 GLU A 10 21.061 20.000 -10.019 1.00 0.00 O ATOM 0 H GLU A 10 16.621 16.919 -11.296 1.00 0.00 H new ATOM 0 HA GLU A 10 16.291 19.292 -9.920 1.00 0.00 H new ATOM 0 HB2 GLU A 10 18.376 17.906 -11.170 1.00 0.00 H new ATOM 0 HB3 GLU A 10 18.340 19.451 -11.997 1.00 0.00 H new ATOM 0 HG2 GLU A 10 18.681 20.683 -9.982 1.00 0.00 H new ATOM 0 HG3 GLU A 10 18.186 19.344 -8.966 1.00 0.00 H new ATOM 129 N GLU A 11 15.318 19.477 -12.968 1.00 0.00 N ATOM 130 CA GLU A 11 14.692 20.324 -13.968 1.00 0.00 C ATOM 131 C GLU A 11 13.178 20.367 -13.757 1.00 0.00 C ATOM 132 O GLU A 11 12.596 21.443 -13.628 1.00 0.00 O ATOM 133 CB GLU A 11 15.035 19.849 -15.382 1.00 0.00 C ATOM 134 CG GLU A 11 13.817 19.945 -16.304 1.00 0.00 C ATOM 135 CD GLU A 11 14.229 19.819 -17.771 1.00 0.00 C ATOM 136 OE1 GLU A 11 15.328 20.319 -18.098 1.00 0.00 O ATOM 137 OE2 GLU A 11 13.437 19.224 -18.534 1.00 0.00 O ATOM 0 H GLU A 11 15.261 18.477 -13.160 1.00 0.00 H new ATOM 0 HA GLU A 11 15.083 21.335 -13.854 1.00 0.00 H new ATOM 0 HB2 GLU A 11 15.849 20.452 -15.785 1.00 0.00 H new ATOM 0 HB3 GLU A 11 15.389 18.819 -15.347 1.00 0.00 H new ATOM 0 HG2 GLU A 11 13.104 19.159 -16.054 1.00 0.00 H new ATOM 0 HG3 GLU A 11 13.310 20.897 -16.145 1.00 0.00 H new ATOM 144 N ILE A 12 12.583 19.183 -13.728 1.00 0.00 N ATOM 145 CA ILE A 12 11.147 19.072 -13.534 1.00 0.00 C ATOM 146 C ILE A 12 10.768 19.702 -12.192 1.00 0.00 C ATOM 147 O ILE A 12 9.653 20.196 -12.027 1.00 0.00 O ATOM 148 CB ILE A 12 10.698 17.616 -13.679 1.00 0.00 C ATOM 149 CG1 ILE A 12 11.222 17.008 -14.982 1.00 0.00 C ATOM 150 CG2 ILE A 12 9.177 17.497 -13.561 1.00 0.00 C ATOM 151 CD1 ILE A 12 12.274 15.934 -14.702 1.00 0.00 C ATOM 0 H ILE A 12 13.069 18.293 -13.836 1.00 0.00 H new ATOM 0 HA ILE A 12 10.614 19.624 -14.308 1.00 0.00 H new ATOM 0 HB ILE A 12 11.130 17.042 -12.859 1.00 0.00 H new ATOM 0 HG12 ILE A 12 10.395 16.574 -15.543 1.00 0.00 H new ATOM 0 HG13 ILE A 12 11.654 17.791 -15.605 1.00 0.00 H new ATOM 0 HG21 ILE A 12 8.884 16.452 -13.668 1.00 0.00 H new ATOM 0 HG22 ILE A 12 8.858 17.866 -12.586 1.00 0.00 H new ATOM 0 HG23 ILE A 12 8.704 18.088 -14.345 1.00 0.00 H new ATOM 0 HD11 ILE A 12 12.630 15.518 -15.645 1.00 0.00 H new ATOM 0 HD12 ILE A 12 13.111 16.377 -14.162 1.00 0.00 H new ATOM 0 HD13 ILE A 12 11.832 15.140 -14.099 1.00 0.00 H new ATOM 163 N GLN A 13 11.716 19.664 -11.268 1.00 0.00 N ATOM 164 CA GLN A 13 11.495 20.226 -9.946 1.00 0.00 C ATOM 165 C GLN A 13 11.232 21.730 -10.045 1.00 0.00 C ATOM 166 O GLN A 13 10.340 22.252 -9.379 1.00 0.00 O ATOM 167 CB GLN A 13 12.679 19.935 -9.022 1.00 0.00 C ATOM 168 CG GLN A 13 12.589 18.523 -8.442 1.00 0.00 C ATOM 169 CD GLN A 13 11.297 18.339 -7.644 1.00 0.00 C ATOM 170 OE1 GLN A 13 10.406 17.594 -8.017 1.00 0.00 O ATOM 171 NE2 GLN A 13 11.245 19.059 -6.526 1.00 0.00 N ATOM 0 H GLN A 13 12.639 19.253 -11.408 1.00 0.00 H new ATOM 0 HA GLN A 13 10.614 19.752 -9.513 1.00 0.00 H new ATOM 0 HB2 GLN A 13 13.612 20.046 -9.575 1.00 0.00 H new ATOM 0 HB3 GLN A 13 12.700 20.664 -8.212 1.00 0.00 H new ATOM 0 HG2 GLN A 13 12.629 17.791 -9.249 1.00 0.00 H new ATOM 0 HG3 GLN A 13 13.448 18.335 -7.798 1.00 0.00 H new ATOM 0 HE21 GLN A 13 12.026 19.663 -6.272 1.00 0.00 H new ATOM 0 HE22 GLN A 13 10.424 19.006 -5.923 1.00 0.00 H new ATOM 180 N LYS A 14 12.026 22.383 -10.881 1.00 0.00 N ATOM 181 CA LYS A 14 11.889 23.816 -11.075 1.00 0.00 C ATOM 182 C LYS A 14 10.634 24.097 -11.904 1.00 0.00 C ATOM 183 O LYS A 14 10.244 25.252 -12.075 1.00 0.00 O ATOM 184 CB LYS A 14 13.169 24.399 -11.680 1.00 0.00 C ATOM 185 CG LYS A 14 13.723 25.526 -10.808 1.00 0.00 C ATOM 186 CD LYS A 14 14.500 26.540 -11.651 1.00 0.00 C ATOM 187 CE LYS A 14 16.009 26.353 -11.480 1.00 0.00 C ATOM 188 NZ LYS A 14 16.748 27.167 -12.471 1.00 0.00 N ATOM 0 H LYS A 14 12.766 21.946 -11.431 1.00 0.00 H new ATOM 0 HA LYS A 14 11.758 24.319 -10.117 1.00 0.00 H new ATOM 0 HB2 LYS A 14 13.917 23.613 -11.784 1.00 0.00 H new ATOM 0 HB3 LYS A 14 12.963 24.777 -12.681 1.00 0.00 H new ATOM 0 HG2 LYS A 14 12.904 26.028 -10.292 1.00 0.00 H new ATOM 0 HG3 LYS A 14 14.375 25.110 -10.041 1.00 0.00 H new ATOM 0 HD2 LYS A 14 14.233 26.426 -12.701 1.00 0.00 H new ATOM 0 HD3 LYS A 14 14.220 27.552 -11.359 1.00 0.00 H new ATOM 0 HE2 LYS A 14 16.305 26.641 -10.471 1.00 0.00 H new ATOM 0 HE3 LYS A 14 16.267 25.301 -11.600 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 17.770 27.028 -12.341 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 16.478 26.874 -13.432 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 16.515 28.172 -12.338 1.00 0.00 H new ATOM 202 N HIS A 15 10.036 23.022 -12.397 1.00 0.00 N ATOM 203 CA HIS A 15 8.833 23.140 -13.203 1.00 0.00 C ATOM 204 C HIS A 15 7.618 22.712 -12.377 1.00 0.00 C ATOM 205 O HIS A 15 6.773 21.956 -12.853 1.00 0.00 O ATOM 206 CB HIS A 15 8.972 22.348 -14.505 1.00 0.00 C ATOM 207 CG HIS A 15 10.163 22.748 -15.344 1.00 0.00 C ATOM 208 ND1 HIS A 15 10.300 24.011 -15.894 1.00 0.00 N ATOM 209 CD2 HIS A 15 11.268 22.042 -15.718 1.00 0.00 C ATOM 210 CE1 HIS A 15 11.439 24.051 -16.569 1.00 0.00 C ATOM 211 NE2 HIS A 15 12.038 22.830 -16.458 1.00 0.00 N ATOM 0 H HIS A 15 10.362 22.066 -12.254 1.00 0.00 H new ATOM 0 HA HIS A 15 8.685 24.181 -13.492 1.00 0.00 H new ATOM 0 HB2 HIS A 15 9.049 21.287 -14.266 1.00 0.00 H new ATOM 0 HB3 HIS A 15 8.065 22.477 -15.095 1.00 0.00 H new ATOM 0 HD1 HIS A 15 9.637 24.780 -15.796 1.00 0.00 H new ATOM 0 HD2 HIS A 15 11.481 21.016 -15.456 1.00 0.00 H new ATOM 0 HE1 HIS A 15 11.826 24.901 -17.112 1.00 0.00 H new ATOM 219 N LYS A 16 7.570 23.216 -11.152 1.00 0.00 N ATOM 220 CA LYS A 16 6.471 22.896 -10.255 1.00 0.00 C ATOM 221 C LYS A 16 5.601 24.139 -10.058 1.00 0.00 C ATOM 222 O LYS A 16 5.413 24.598 -8.933 1.00 0.00 O ATOM 223 CB LYS A 16 7.003 22.306 -8.948 1.00 0.00 C ATOM 224 CG LYS A 16 5.860 22.011 -7.974 1.00 0.00 C ATOM 225 CD LYS A 16 6.241 22.405 -6.546 1.00 0.00 C ATOM 226 CE LYS A 16 5.463 21.575 -5.523 1.00 0.00 C ATOM 227 NZ LYS A 16 5.990 20.192 -5.468 1.00 0.00 N ATOM 0 H LYS A 16 8.273 23.843 -10.760 1.00 0.00 H new ATOM 0 HA LYS A 16 5.834 22.126 -10.691 1.00 0.00 H new ATOM 0 HB2 LYS A 16 7.554 21.389 -9.157 1.00 0.00 H new ATOM 0 HB3 LYS A 16 7.705 23.002 -8.490 1.00 0.00 H new ATOM 0 HG2 LYS A 16 4.967 22.557 -8.280 1.00 0.00 H new ATOM 0 HG3 LYS A 16 5.613 20.950 -8.009 1.00 0.00 H new ATOM 0 HD2 LYS A 16 7.311 22.261 -6.398 1.00 0.00 H new ATOM 0 HD3 LYS A 16 6.038 23.465 -6.391 1.00 0.00 H new ATOM 0 HE2 LYS A 16 5.537 22.038 -4.539 1.00 0.00 H new ATOM 0 HE3 LYS A 16 4.406 21.557 -5.789 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 5.693 19.742 -4.579 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 5.619 19.647 -6.272 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 7.029 20.214 -5.514 1.00 0.00 H new ATOM 241 N ASP A 17 5.093 24.649 -11.172 1.00 0.00 N ATOM 242 CA ASP A 17 4.247 25.829 -11.136 1.00 0.00 C ATOM 243 C ASP A 17 3.229 25.756 -12.275 1.00 0.00 C ATOM 244 O ASP A 17 3.466 25.092 -13.283 1.00 0.00 O ATOM 245 CB ASP A 17 5.071 27.105 -11.320 1.00 0.00 C ATOM 246 CG ASP A 17 5.530 27.771 -10.021 1.00 0.00 C ATOM 247 OD1 ASP A 17 5.235 27.195 -8.953 1.00 0.00 O ATOM 248 OD2 ASP A 17 6.166 28.843 -10.128 1.00 0.00 O ATOM 0 H ASP A 17 5.252 24.266 -12.104 1.00 0.00 H new ATOM 0 HA ASP A 17 3.751 25.858 -10.166 1.00 0.00 H new ATOM 0 HB2 ASP A 17 5.950 26.869 -11.920 1.00 0.00 H new ATOM 0 HB3 ASP A 17 4.480 27.822 -11.889 1.00 0.00 H new ATOM 253 N SER A 18 2.116 26.447 -12.077 1.00 0.00 N ATOM 254 CA SER A 18 1.061 26.470 -13.076 1.00 0.00 C ATOM 255 C SER A 18 1.657 26.720 -14.462 1.00 0.00 C ATOM 256 O SER A 18 1.288 26.056 -15.429 1.00 0.00 O ATOM 257 CB SER A 18 0.014 27.536 -12.747 1.00 0.00 C ATOM 258 OG SER A 18 0.587 28.837 -12.658 1.00 0.00 O ATOM 0 H SER A 18 1.922 26.995 -11.239 1.00 0.00 H new ATOM 0 HA SER A 18 0.565 25.499 -13.072 1.00 0.00 H new ATOM 0 HB2 SER A 18 -0.760 27.533 -13.514 1.00 0.00 H new ATOM 0 HB3 SER A 18 -0.471 27.288 -11.803 1.00 0.00 H new ATOM 0 HG SER A 18 -0.114 29.489 -12.448 1.00 0.00 H new ATOM 264 N LYS A 19 2.568 27.680 -14.514 1.00 0.00 N ATOM 265 CA LYS A 19 3.220 28.026 -15.766 1.00 0.00 C ATOM 266 C LYS A 19 3.918 26.788 -16.333 1.00 0.00 C ATOM 267 O LYS A 19 3.873 26.541 -17.537 1.00 0.00 O ATOM 268 CB LYS A 19 4.152 29.223 -15.572 1.00 0.00 C ATOM 269 CG LYS A 19 5.075 29.010 -14.371 1.00 0.00 C ATOM 270 CD LYS A 19 6.277 29.956 -14.429 1.00 0.00 C ATOM 271 CE LYS A 19 7.278 29.507 -15.495 1.00 0.00 C ATOM 272 NZ LYS A 19 8.477 30.373 -15.479 1.00 0.00 N ATOM 0 H LYS A 19 2.870 28.229 -13.710 1.00 0.00 H new ATOM 0 HA LYS A 19 2.483 28.342 -16.504 1.00 0.00 H new ATOM 0 HB2 LYS A 19 4.749 29.373 -16.472 1.00 0.00 H new ATOM 0 HB3 LYS A 19 3.562 30.128 -15.426 1.00 0.00 H new ATOM 0 HG2 LYS A 19 4.521 29.177 -13.448 1.00 0.00 H new ATOM 0 HG3 LYS A 19 5.421 27.977 -14.353 1.00 0.00 H new ATOM 0 HD2 LYS A 19 5.937 30.968 -14.648 1.00 0.00 H new ATOM 0 HD3 LYS A 19 6.767 29.987 -13.456 1.00 0.00 H new ATOM 0 HE2 LYS A 19 7.568 28.472 -15.317 1.00 0.00 H new ATOM 0 HE3 LYS A 19 6.810 29.542 -16.479 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 9.146 30.054 -16.209 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 8.198 31.356 -15.672 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 8.932 30.319 -14.545 1.00 0.00 H new ATOM 286 N SER A 20 4.549 26.043 -15.437 1.00 0.00 N ATOM 287 CA SER A 20 5.256 24.836 -15.833 1.00 0.00 C ATOM 288 C SER A 20 5.031 23.734 -14.795 1.00 0.00 C ATOM 289 O SER A 20 5.502 23.837 -13.664 1.00 0.00 O ATOM 290 CB SER A 20 6.752 25.106 -16.004 1.00 0.00 C ATOM 291 OG SER A 20 7.089 25.403 -17.357 1.00 0.00 O ATOM 0 H SER A 20 4.586 26.251 -14.439 1.00 0.00 H new ATOM 0 HA SER A 20 4.861 24.507 -16.794 1.00 0.00 H new ATOM 0 HB2 SER A 20 7.045 25.939 -15.366 1.00 0.00 H new ATOM 0 HB3 SER A 20 7.318 24.236 -15.672 1.00 0.00 H new ATOM 0 HG SER A 20 8.052 25.571 -17.425 1.00 0.00 H new ATOM 297 N THR A 21 4.311 22.705 -15.218 1.00 0.00 N ATOM 298 CA THR A 21 4.019 21.585 -14.340 1.00 0.00 C ATOM 299 C THR A 21 3.987 20.279 -15.136 1.00 0.00 C ATOM 300 O THR A 21 3.108 20.079 -15.974 1.00 0.00 O ATOM 301 CB THR A 21 2.708 21.886 -13.612 1.00 0.00 C ATOM 302 OG1 THR A 21 3.076 22.829 -12.608 1.00 0.00 O ATOM 303 CG2 THR A 21 2.188 20.683 -12.820 1.00 0.00 C ATOM 0 H THR A 21 3.921 22.624 -16.157 1.00 0.00 H new ATOM 0 HA THR A 21 4.800 21.453 -13.591 1.00 0.00 H new ATOM 0 HB THR A 21 1.955 22.198 -14.336 1.00 0.00 H new ATOM 0 HG1 THR A 21 3.709 23.476 -12.983 1.00 0.00 H new ATOM 0 HG21 THR A 21 1.256 20.950 -12.323 1.00 0.00 H new ATOM 0 HG22 THR A 21 2.011 19.849 -13.499 1.00 0.00 H new ATOM 0 HG23 THR A 21 2.927 20.392 -12.074 1.00 0.00 H new ATOM 311 N TRP A 22 4.954 19.421 -14.845 1.00 0.00 N ATOM 312 CA TRP A 22 5.046 18.139 -15.522 1.00 0.00 C ATOM 313 C TRP A 22 4.866 17.037 -14.475 1.00 0.00 C ATOM 314 O TRP A 22 4.662 17.324 -13.296 1.00 0.00 O ATOM 315 CB TRP A 22 6.363 18.022 -16.293 1.00 0.00 C ATOM 316 CG TRP A 22 6.790 19.310 -16.997 1.00 0.00 C ATOM 317 CD1 TRP A 22 6.008 20.286 -17.478 1.00 0.00 C ATOM 318 CD2 TRP A 22 8.143 19.729 -17.280 1.00 0.00 C ATOM 319 NE1 TRP A 22 6.753 21.298 -18.049 1.00 0.00 N ATOM 320 CE2 TRP A 22 8.092 20.947 -17.924 1.00 0.00 C ATOM 321 CE3 TRP A 22 9.367 19.096 -17.001 1.00 0.00 C ATOM 322 CZ2 TRP A 22 9.234 21.640 -18.344 1.00 0.00 C ATOM 323 CZ3 TRP A 22 10.499 19.801 -17.428 1.00 0.00 C ATOM 324 CH2 TRP A 22 10.466 21.029 -18.077 1.00 0.00 C ATOM 0 H TRP A 22 5.681 19.589 -14.149 1.00 0.00 H new ATOM 0 HA TRP A 22 4.259 18.039 -16.270 1.00 0.00 H new ATOM 0 HB2 TRP A 22 7.150 17.720 -15.602 1.00 0.00 H new ATOM 0 HB3 TRP A 22 6.268 17.229 -17.035 1.00 0.00 H new ATOM 0 HD1 TRP A 22 4.929 20.281 -17.425 1.00 0.00 H new ATOM 0 HE1 TRP A 22 6.388 22.146 -18.482 1.00 0.00 H new ATOM 0 HE3 TRP A 22 9.429 18.142 -16.498 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 9.169 22.594 -18.846 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 11.466 19.359 -17.240 1.00 0.00 H new ATOM 0 HH2 TRP A 22 11.386 21.510 -18.374 1.00 0.00 H new ATOM 335 N VAL A 23 4.946 15.802 -14.944 1.00 0.00 N ATOM 336 CA VAL A 23 4.794 14.655 -14.064 1.00 0.00 C ATOM 337 C VAL A 23 5.474 13.439 -14.696 1.00 0.00 C ATOM 338 O VAL A 23 4.963 12.868 -15.659 1.00 0.00 O ATOM 339 CB VAL A 23 3.313 14.422 -13.761 1.00 0.00 C ATOM 340 CG1 VAL A 23 2.771 15.496 -12.815 1.00 0.00 C ATOM 341 CG2 VAL A 23 2.492 14.363 -15.050 1.00 0.00 C ATOM 0 H VAL A 23 5.114 15.569 -15.923 1.00 0.00 H new ATOM 0 HA VAL A 23 5.283 14.839 -13.107 1.00 0.00 H new ATOM 0 HB VAL A 23 3.222 13.458 -13.261 1.00 0.00 H new ATOM 0 HG11 VAL A 23 1.716 15.307 -12.616 1.00 0.00 H new ATOM 0 HG12 VAL A 23 3.327 15.470 -11.878 1.00 0.00 H new ATOM 0 HG13 VAL A 23 2.883 16.477 -13.276 1.00 0.00 H new ATOM 0 HG21 VAL A 23 1.443 14.196 -14.806 1.00 0.00 H new ATOM 0 HG22 VAL A 23 2.594 15.304 -15.590 1.00 0.00 H new ATOM 0 HG23 VAL A 23 2.853 13.546 -15.674 1.00 0.00 H new ATOM 351 N ILE A 24 6.615 13.078 -14.128 1.00 0.00 N ATOM 352 CA ILE A 24 7.370 11.939 -14.623 1.00 0.00 C ATOM 353 C ILE A 24 6.578 10.656 -14.364 1.00 0.00 C ATOM 354 O ILE A 24 6.505 10.187 -13.229 1.00 0.00 O ATOM 355 CB ILE A 24 8.776 11.926 -14.021 1.00 0.00 C ATOM 356 CG1 ILE A 24 9.604 10.771 -14.587 1.00 0.00 C ATOM 357 CG2 ILE A 24 8.719 11.894 -12.492 1.00 0.00 C ATOM 358 CD1 ILE A 24 9.247 9.452 -13.900 1.00 0.00 C ATOM 0 H ILE A 24 7.035 13.554 -13.330 1.00 0.00 H new ATOM 0 HA ILE A 24 7.511 12.015 -15.701 1.00 0.00 H new ATOM 0 HB ILE A 24 9.277 12.852 -14.305 1.00 0.00 H new ATOM 0 HG12 ILE A 24 9.430 10.685 -15.660 1.00 0.00 H new ATOM 0 HG13 ILE A 24 10.665 10.980 -14.452 1.00 0.00 H new ATOM 0 HG21 ILE A 24 9.732 11.885 -12.090 1.00 0.00 H new ATOM 0 HG22 ILE A 24 8.192 12.777 -12.129 1.00 0.00 H new ATOM 0 HG23 ILE A 24 8.192 10.997 -12.166 1.00 0.00 H new ATOM 0 HD11 ILE A 24 9.850 8.648 -14.321 1.00 0.00 H new ATOM 0 HD12 ILE A 24 9.446 9.533 -12.831 1.00 0.00 H new ATOM 0 HD13 ILE A 24 8.191 9.234 -14.057 1.00 0.00 H new ATOM 370 N LEU A 25 6.006 10.125 -15.434 1.00 0.00 N ATOM 371 CA LEU A 25 5.223 8.905 -15.337 1.00 0.00 C ATOM 372 C LEU A 25 5.759 7.878 -16.336 1.00 0.00 C ATOM 373 O LEU A 25 5.910 8.178 -17.520 1.00 0.00 O ATOM 374 CB LEU A 25 3.734 9.210 -15.508 1.00 0.00 C ATOM 375 CG LEU A 25 3.292 9.627 -16.913 1.00 0.00 C ATOM 376 CD1 LEU A 25 2.985 8.402 -17.777 1.00 0.00 C ATOM 377 CD2 LEU A 25 2.109 10.595 -16.851 1.00 0.00 C ATOM 0 H LEU A 25 6.069 10.517 -16.373 1.00 0.00 H new ATOM 0 HA LEU A 25 5.324 8.466 -14.344 1.00 0.00 H new ATOM 0 HB2 LEU A 25 3.167 8.326 -15.217 1.00 0.00 H new ATOM 0 HB3 LEU A 25 3.464 10.005 -14.813 1.00 0.00 H new ATOM 0 HG LEU A 25 4.118 10.157 -17.387 1.00 0.00 H new ATOM 0 HD11 LEU A 25 2.673 8.726 -18.770 1.00 0.00 H new ATOM 0 HD12 LEU A 25 3.878 7.783 -17.861 1.00 0.00 H new ATOM 0 HD13 LEU A 25 2.184 7.823 -17.316 1.00 0.00 H new ATOM 0 HD21 LEU A 25 1.815 10.875 -17.862 1.00 0.00 H new ATOM 0 HD22 LEU A 25 1.270 10.112 -16.350 1.00 0.00 H new ATOM 0 HD23 LEU A 25 2.398 11.488 -16.297 1.00 0.00 H new ATOM 389 N HIS A 26 6.034 6.688 -15.823 1.00 0.00 N ATOM 390 CA HIS A 26 6.551 5.615 -16.655 1.00 0.00 C ATOM 391 C HIS A 26 7.871 6.051 -17.294 1.00 0.00 C ATOM 392 O HIS A 26 8.162 5.691 -18.434 1.00 0.00 O ATOM 393 CB HIS A 26 5.508 5.178 -17.687 1.00 0.00 C ATOM 394 CG HIS A 26 5.809 3.850 -18.339 1.00 0.00 C ATOM 395 ND1 HIS A 26 6.042 2.694 -17.615 1.00 0.00 N ATOM 396 CD2 HIS A 26 5.912 3.506 -19.656 1.00 0.00 C ATOM 397 CE1 HIS A 26 6.275 1.706 -18.466 1.00 0.00 C ATOM 398 NE2 HIS A 26 6.194 2.211 -19.731 1.00 0.00 N ATOM 0 H HIS A 26 5.908 6.443 -14.841 1.00 0.00 H new ATOM 0 HA HIS A 26 6.758 4.740 -16.039 1.00 0.00 H new ATOM 0 HB2 HIS A 26 4.534 5.120 -17.202 1.00 0.00 H new ATOM 0 HB3 HIS A 26 5.434 5.943 -18.460 1.00 0.00 H new ATOM 0 HD2 HIS A 26 5.785 4.174 -20.495 1.00 0.00 H new ATOM 0 HE1 HIS A 26 6.491 0.681 -18.204 1.00 0.00 H new ATOM 0 HE2 HIS A 26 6.328 1.681 -20.592 1.00 0.00 H new ATOM 406 N HIS A 27 8.634 6.820 -16.531 1.00 0.00 N ATOM 407 CA HIS A 27 9.916 7.309 -17.008 1.00 0.00 C ATOM 408 C HIS A 27 9.692 8.348 -18.108 1.00 0.00 C ATOM 409 O HIS A 27 10.647 8.827 -18.717 1.00 0.00 O ATOM 410 CB HIS A 27 10.806 6.149 -17.460 1.00 0.00 C ATOM 411 CG HIS A 27 10.610 4.879 -16.667 1.00 0.00 C ATOM 412 ND1 HIS A 27 10.584 3.626 -17.253 1.00 0.00 N ATOM 413 CD2 HIS A 27 10.432 4.682 -15.329 1.00 0.00 C ATOM 414 CE1 HIS A 27 10.397 2.723 -16.302 1.00 0.00 C ATOM 415 NE2 HIS A 27 10.303 3.380 -15.110 1.00 0.00 N ATOM 0 H HIS A 27 8.389 7.116 -15.586 1.00 0.00 H new ATOM 0 HA HIS A 27 10.447 7.802 -16.194 1.00 0.00 H new ATOM 0 HB2 HIS A 27 10.609 5.942 -18.512 1.00 0.00 H new ATOM 0 HB3 HIS A 27 11.850 6.455 -17.385 1.00 0.00 H new ATOM 0 HD2 HIS A 27 10.401 5.455 -14.576 1.00 0.00 H new ATOM 0 HE1 HIS A 27 10.331 1.655 -16.445 1.00 0.00 H new ATOM 0 HE2 HIS A 27 10.158 2.942 -14.200 1.00 0.00 H new ATOM 423 N LYS A 28 8.425 8.666 -18.330 1.00 0.00 N ATOM 424 CA LYS A 28 8.063 9.640 -19.345 1.00 0.00 C ATOM 425 C LYS A 28 7.298 10.791 -18.691 1.00 0.00 C ATOM 426 O LYS A 28 6.160 10.618 -18.258 1.00 0.00 O ATOM 427 CB LYS A 28 7.302 8.964 -20.487 1.00 0.00 C ATOM 428 CG LYS A 28 8.146 7.863 -21.134 1.00 0.00 C ATOM 429 CD LYS A 28 8.795 8.359 -22.427 1.00 0.00 C ATOM 430 CE LYS A 28 7.742 8.603 -23.511 1.00 0.00 C ATOM 431 NZ LYS A 28 7.310 7.322 -24.111 1.00 0.00 N ATOM 0 H LYS A 28 7.636 8.266 -17.823 1.00 0.00 H new ATOM 0 HA LYS A 28 8.956 10.069 -19.799 1.00 0.00 H new ATOM 0 HB2 LYS A 28 6.373 8.539 -20.108 1.00 0.00 H new ATOM 0 HB3 LYS A 28 7.030 9.707 -21.237 1.00 0.00 H new ATOM 0 HG2 LYS A 28 8.918 7.535 -20.438 1.00 0.00 H new ATOM 0 HG3 LYS A 28 7.519 6.997 -21.346 1.00 0.00 H new ATOM 0 HD2 LYS A 28 9.342 9.281 -22.233 1.00 0.00 H new ATOM 0 HD3 LYS A 28 9.521 7.626 -22.778 1.00 0.00 H new ATOM 0 HE2 LYS A 28 6.883 9.119 -23.082 1.00 0.00 H new ATOM 0 HE3 LYS A 28 8.151 9.254 -24.284 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 6.608 7.507 -24.856 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 8.132 6.837 -24.523 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 6.885 6.721 -23.377 1.00 0.00 H new ATOM 445 N VAL A 29 7.953 11.942 -18.643 1.00 0.00 N ATOM 446 CA VAL A 29 7.348 13.123 -18.049 1.00 0.00 C ATOM 447 C VAL A 29 6.516 13.850 -19.107 1.00 0.00 C ATOM 448 O VAL A 29 6.944 13.988 -20.252 1.00 0.00 O ATOM 449 CB VAL A 29 8.429 14.008 -17.426 1.00 0.00 C ATOM 450 CG1 VAL A 29 9.529 14.327 -18.441 1.00 0.00 C ATOM 451 CG2 VAL A 29 7.824 15.291 -16.851 1.00 0.00 C ATOM 0 H VAL A 29 8.896 12.082 -19.005 1.00 0.00 H new ATOM 0 HA VAL A 29 6.673 12.841 -17.241 1.00 0.00 H new ATOM 0 HB VAL A 29 8.882 13.454 -16.604 1.00 0.00 H new ATOM 0 HG11 VAL A 29 10.285 14.957 -17.972 1.00 0.00 H new ATOM 0 HG12 VAL A 29 9.990 13.400 -18.781 1.00 0.00 H new ATOM 0 HG13 VAL A 29 9.097 14.851 -19.293 1.00 0.00 H new ATOM 0 HG21 VAL A 29 8.614 15.902 -16.414 1.00 0.00 H new ATOM 0 HG22 VAL A 29 7.331 15.850 -17.647 1.00 0.00 H new ATOM 0 HG23 VAL A 29 7.095 15.037 -16.082 1.00 0.00 H new ATOM 461 N TYR A 30 5.342 14.297 -18.685 1.00 0.00 N ATOM 462 CA TYR A 30 4.446 15.007 -19.583 1.00 0.00 C ATOM 463 C TYR A 30 4.184 16.429 -19.083 1.00 0.00 C ATOM 464 O TYR A 30 3.973 16.644 -17.890 1.00 0.00 O ATOM 465 CB TYR A 30 3.131 14.225 -19.571 1.00 0.00 C ATOM 466 CG TYR A 30 3.217 12.854 -20.245 1.00 0.00 C ATOM 467 CD1 TYR A 30 4.152 11.932 -19.819 1.00 0.00 C ATOM 468 CD2 TYR A 30 2.359 12.538 -21.278 1.00 0.00 C ATOM 469 CE1 TYR A 30 4.233 10.643 -20.452 1.00 0.00 C ATOM 470 CE2 TYR A 30 2.439 11.247 -21.913 1.00 0.00 C ATOM 471 CZ TYR A 30 3.372 10.363 -21.468 1.00 0.00 C ATOM 472 OH TYR A 30 3.449 9.145 -22.067 1.00 0.00 O ATOM 0 H TYR A 30 4.991 14.182 -17.734 1.00 0.00 H new ATOM 0 HA TYR A 30 4.880 15.080 -20.580 1.00 0.00 H new ATOM 0 HB2 TYR A 30 2.809 14.091 -18.538 1.00 0.00 H new ATOM 0 HB3 TYR A 30 2.364 14.817 -20.070 1.00 0.00 H new ATOM 0 HD1 TYR A 30 4.823 12.179 -19.010 1.00 0.00 H new ATOM 0 HD2 TYR A 30 1.627 13.259 -21.611 1.00 0.00 H new ATOM 0 HE1 TYR A 30 4.961 9.914 -20.128 1.00 0.00 H new ATOM 0 HE2 TYR A 30 1.774 10.987 -22.723 1.00 0.00 H new ATOM 0 HH TYR A 30 2.773 9.085 -22.774 1.00 0.00 H new ATOM 482 N ASP A 31 4.206 17.365 -20.021 1.00 0.00 N ATOM 483 CA ASP A 31 3.973 18.760 -19.692 1.00 0.00 C ATOM 484 C ASP A 31 2.491 19.086 -19.888 1.00 0.00 C ATOM 485 O ASP A 31 2.107 19.656 -20.909 1.00 0.00 O ATOM 486 CB ASP A 31 4.784 19.684 -20.601 1.00 0.00 C ATOM 487 CG ASP A 31 4.487 21.177 -20.439 1.00 0.00 C ATOM 488 OD1 ASP A 31 3.444 21.484 -19.821 1.00 0.00 O ATOM 489 OD2 ASP A 31 5.308 21.976 -20.938 1.00 0.00 O ATOM 0 H ASP A 31 4.382 17.184 -21.009 1.00 0.00 H new ATOM 0 HA ASP A 31 4.276 18.916 -18.657 1.00 0.00 H new ATOM 0 HB2 ASP A 31 5.844 19.517 -20.410 1.00 0.00 H new ATOM 0 HB3 ASP A 31 4.599 19.403 -21.638 1.00 0.00 H new ATOM 494 N LEU A 32 1.698 18.711 -18.895 1.00 0.00 N ATOM 495 CA LEU A 32 0.267 18.956 -18.946 1.00 0.00 C ATOM 496 C LEU A 32 -0.020 20.377 -18.457 1.00 0.00 C ATOM 497 O LEU A 32 -1.159 20.707 -18.129 1.00 0.00 O ATOM 498 CB LEU A 32 -0.490 17.875 -18.172 1.00 0.00 C ATOM 499 CG LEU A 32 0.243 17.273 -16.971 1.00 0.00 C ATOM 500 CD1 LEU A 32 -0.748 16.776 -15.917 1.00 0.00 C ATOM 501 CD2 LEU A 32 1.208 16.171 -17.414 1.00 0.00 C ATOM 0 H LEU A 32 2.020 18.239 -18.050 1.00 0.00 H new ATOM 0 HA LEU A 32 -0.094 18.892 -19.972 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -1.432 18.298 -17.823 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -0.739 17.069 -18.862 1.00 0.00 H new ATOM 0 HG LEU A 32 0.841 18.058 -16.507 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -0.201 16.353 -15.074 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -1.360 17.609 -15.571 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -1.390 16.011 -16.353 1.00 0.00 H new ATOM 0 HD21 LEU A 32 1.716 15.760 -16.542 1.00 0.00 H new ATOM 0 HD22 LEU A 32 0.651 15.380 -17.916 1.00 0.00 H new ATOM 0 HD23 LEU A 32 1.945 16.587 -18.100 1.00 0.00 H new ATOM 513 N THR A 33 1.033 21.182 -18.424 1.00 0.00 N ATOM 514 CA THR A 33 0.907 22.560 -17.981 1.00 0.00 C ATOM 515 C THR A 33 0.000 23.345 -18.931 1.00 0.00 C ATOM 516 O THR A 33 -0.541 24.385 -18.559 1.00 0.00 O ATOM 517 CB THR A 33 2.315 23.147 -17.860 1.00 0.00 C ATOM 518 OG1 THR A 33 2.253 23.958 -16.689 1.00 0.00 O ATOM 519 CG2 THR A 33 2.635 24.135 -18.982 1.00 0.00 C ATOM 0 H THR A 33 1.976 20.906 -18.697 1.00 0.00 H new ATOM 0 HA THR A 33 0.429 22.620 -17.003 1.00 0.00 H new ATOM 0 HB THR A 33 3.047 22.340 -17.868 1.00 0.00 H new ATOM 0 HG1 THR A 33 1.637 24.705 -16.841 1.00 0.00 H new ATOM 0 HG21 THR A 33 3.645 24.522 -18.849 1.00 0.00 H new ATOM 0 HG22 THR A 33 2.564 23.628 -19.944 1.00 0.00 H new ATOM 0 HG23 THR A 33 1.924 24.960 -18.954 1.00 0.00 H new ATOM 527 N LYS A 34 -0.136 22.817 -20.138 1.00 0.00 N ATOM 528 CA LYS A 34 -0.968 23.457 -21.144 1.00 0.00 C ATOM 529 C LYS A 34 -2.395 22.916 -21.038 1.00 0.00 C ATOM 530 O LYS A 34 -3.348 23.686 -20.927 1.00 0.00 O ATOM 531 CB LYS A 34 -0.349 23.292 -22.534 1.00 0.00 C ATOM 532 CG LYS A 34 -1.096 24.134 -23.570 1.00 0.00 C ATOM 533 CD LYS A 34 -0.668 25.600 -23.497 1.00 0.00 C ATOM 534 CE LYS A 34 0.476 25.887 -24.473 1.00 0.00 C ATOM 535 NZ LYS A 34 0.073 26.918 -25.455 1.00 0.00 N ATOM 0 H LYS A 34 0.315 21.954 -20.443 1.00 0.00 H new ATOM 0 HA LYS A 34 -1.020 24.532 -20.969 1.00 0.00 H new ATOM 0 HB2 LYS A 34 0.700 23.589 -22.507 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -0.376 22.242 -22.826 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -0.902 23.744 -24.569 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -2.170 24.056 -23.401 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -1.518 26.242 -23.728 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -0.353 25.841 -22.481 1.00 0.00 H new ATOM 0 HE2 LYS A 34 1.355 26.224 -23.923 1.00 0.00 H new ATOM 0 HE3 LYS A 34 0.757 24.971 -24.993 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 0.860 27.101 -26.109 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -0.752 26.583 -25.992 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -0.173 27.796 -24.955 1.00 0.00 H new ATOM 549 N PHE A 35 -2.498 21.595 -21.075 1.00 0.00 N ATOM 550 CA PHE A 35 -3.793 20.943 -20.985 1.00 0.00 C ATOM 551 C PHE A 35 -4.212 20.756 -19.525 1.00 0.00 C ATOM 552 O PHE A 35 -5.156 20.023 -19.235 1.00 0.00 O ATOM 553 CB PHE A 35 -3.648 19.568 -21.641 1.00 0.00 C ATOM 554 CG PHE A 35 -4.071 18.403 -20.744 1.00 0.00 C ATOM 555 CD1 PHE A 35 -3.237 17.961 -19.765 1.00 0.00 C ATOM 556 CD2 PHE A 35 -5.281 17.809 -20.927 1.00 0.00 C ATOM 557 CE1 PHE A 35 -3.630 16.879 -18.933 1.00 0.00 C ATOM 558 CE2 PHE A 35 -5.674 16.728 -20.095 1.00 0.00 C ATOM 559 CZ PHE A 35 -4.840 16.286 -19.116 1.00 0.00 C ATOM 0 H PHE A 35 -1.706 20.959 -21.166 1.00 0.00 H new ATOM 0 HA PHE A 35 -4.551 21.551 -21.478 1.00 0.00 H new ATOM 0 HB2 PHE A 35 -4.245 19.547 -22.552 1.00 0.00 H new ATOM 0 HB3 PHE A 35 -2.609 19.426 -21.938 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -2.276 18.433 -19.620 1.00 0.00 H new ATOM 0 HD2 PHE A 35 -5.943 18.160 -21.705 1.00 0.00 H new ATOM 0 HE1 PHE A 35 -2.968 16.527 -18.155 1.00 0.00 H new ATOM 0 HE2 PHE A 35 -6.635 16.257 -20.239 1.00 0.00 H new ATOM 0 HZ PHE A 35 -5.139 15.463 -18.483 1.00 0.00 H new ATOM 569 N LEU A 36 -3.489 21.432 -18.644 1.00 0.00 N ATOM 570 CA LEU A 36 -3.774 21.351 -17.222 1.00 0.00 C ATOM 571 C LEU A 36 -5.209 21.816 -16.966 1.00 0.00 C ATOM 572 O LEU A 36 -5.870 21.330 -16.050 1.00 0.00 O ATOM 573 CB LEU A 36 -2.725 22.123 -16.419 1.00 0.00 C ATOM 574 CG LEU A 36 -2.161 21.408 -15.190 1.00 0.00 C ATOM 575 CD1 LEU A 36 -0.632 21.455 -15.183 1.00 0.00 C ATOM 576 CD2 LEU A 36 -2.758 21.978 -13.902 1.00 0.00 C ATOM 0 H LEU A 36 -2.706 22.038 -18.888 1.00 0.00 H new ATOM 0 HA LEU A 36 -3.707 20.318 -16.879 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -1.897 22.369 -17.083 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -3.166 23.066 -16.096 1.00 0.00 H new ATOM 0 HG LEU A 36 -2.451 20.359 -15.242 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -0.256 20.940 -14.299 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -0.249 20.966 -16.079 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -0.300 22.493 -15.166 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -2.340 21.452 -13.043 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -2.519 23.039 -13.829 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -3.840 21.850 -13.915 1.00 0.00 H new ATOM 588 N GLU A 37 -5.650 22.753 -17.793 1.00 0.00 N ATOM 589 CA GLU A 37 -6.994 23.291 -17.667 1.00 0.00 C ATOM 590 C GLU A 37 -7.980 22.447 -18.479 1.00 0.00 C ATOM 591 O GLU A 37 -9.188 22.513 -18.257 1.00 0.00 O ATOM 592 CB GLU A 37 -7.042 24.757 -18.100 1.00 0.00 C ATOM 593 CG GLU A 37 -8.225 25.481 -17.453 1.00 0.00 C ATOM 594 CD GLU A 37 -9.213 25.971 -18.514 1.00 0.00 C ATOM 595 OE1 GLU A 37 -8.729 26.461 -19.556 1.00 0.00 O ATOM 596 OE2 GLU A 37 -10.430 25.843 -18.258 1.00 0.00 O ATOM 0 H GLU A 37 -5.100 23.153 -18.553 1.00 0.00 H new ATOM 0 HA GLU A 37 -7.285 23.248 -16.617 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -6.112 25.253 -17.822 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -7.124 24.817 -19.185 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -8.733 24.810 -16.760 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -7.863 26.327 -16.869 1.00 0.00 H new ATOM 603 N GLU A 38 -7.427 21.675 -19.403 1.00 0.00 N ATOM 604 CA GLU A 38 -8.243 20.820 -20.250 1.00 0.00 C ATOM 605 C GLU A 38 -8.477 19.469 -19.572 1.00 0.00 C ATOM 606 O GLU A 38 -9.210 18.629 -20.090 1.00 0.00 O ATOM 607 CB GLU A 38 -7.601 20.640 -21.627 1.00 0.00 C ATOM 608 CG GLU A 38 -8.260 21.553 -22.663 1.00 0.00 C ATOM 609 CD GLU A 38 -9.113 20.745 -23.643 1.00 0.00 C ATOM 610 OE1 GLU A 38 -8.611 19.698 -24.104 1.00 0.00 O ATOM 611 OE2 GLU A 38 -10.249 21.193 -23.908 1.00 0.00 O ATOM 0 H GLU A 38 -6.425 21.623 -19.584 1.00 0.00 H new ATOM 0 HA GLU A 38 -9.210 21.302 -20.397 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -6.535 20.862 -21.567 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -7.693 19.601 -21.942 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -8.882 22.292 -22.158 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -7.493 22.102 -23.210 1.00 0.00 H new ATOM 618 N HIS A 39 -7.840 19.302 -18.422 1.00 0.00 N ATOM 619 CA HIS A 39 -7.968 18.068 -17.667 1.00 0.00 C ATOM 620 C HIS A 39 -9.162 18.170 -16.716 1.00 0.00 C ATOM 621 O HIS A 39 -9.304 19.156 -15.995 1.00 0.00 O ATOM 622 CB HIS A 39 -6.662 17.733 -16.945 1.00 0.00 C ATOM 623 CG HIS A 39 -6.671 16.394 -16.247 1.00 0.00 C ATOM 624 ND1 HIS A 39 -6.557 16.264 -14.873 1.00 0.00 N ATOM 625 CD2 HIS A 39 -6.783 15.130 -16.745 1.00 0.00 C ATOM 626 CE1 HIS A 39 -6.599 14.974 -14.571 1.00 0.00 C ATOM 627 NE2 HIS A 39 -6.739 14.273 -15.732 1.00 0.00 N ATOM 0 H HIS A 39 -7.233 20.002 -17.995 1.00 0.00 H new ATOM 0 HA HIS A 39 -8.160 17.239 -18.349 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -5.845 17.749 -17.667 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -6.454 18.512 -16.211 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -6.890 14.870 -17.788 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -6.534 14.552 -13.579 1.00 0.00 H new ATOM 0 HE2 HIS A 39 -6.800 13.258 -15.809 1.00 0.00 H new ATOM 635 N PRO A 40 -10.013 17.109 -16.744 1.00 0.00 N ATOM 636 CA PRO A 40 -11.190 17.070 -15.893 1.00 0.00 C ATOM 637 C PRO A 40 -10.807 16.769 -14.442 1.00 0.00 C ATOM 638 O PRO A 40 -11.673 16.692 -13.572 1.00 0.00 O ATOM 639 CB PRO A 40 -12.083 16.003 -16.506 1.00 0.00 C ATOM 640 CG PRO A 40 -11.180 15.165 -17.395 1.00 0.00 C ATOM 641 CD PRO A 40 -9.877 15.922 -17.585 1.00 0.00 C ATOM 0 HA PRO A 40 -11.709 18.027 -15.848 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -12.547 15.391 -15.733 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -12.890 16.454 -17.083 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -10.993 14.192 -16.940 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -11.657 14.980 -18.357 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -9.021 15.319 -17.283 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -9.724 16.192 -18.630 1.00 0.00 H new ATOM 649 N GLY A 41 -9.511 16.606 -14.228 1.00 0.00 N ATOM 650 CA GLY A 41 -9.002 16.314 -12.898 1.00 0.00 C ATOM 651 C GLY A 41 -9.049 17.559 -12.008 1.00 0.00 C ATOM 652 O GLY A 41 -9.954 17.708 -11.189 1.00 0.00 O ATOM 0 H GLY A 41 -8.797 16.670 -14.953 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -9.592 15.517 -12.446 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -7.977 15.951 -12.969 1.00 0.00 H new ATOM 656 N GLY A 42 -8.062 18.421 -12.200 1.00 0.00 N ATOM 657 CA GLY A 42 -7.979 19.649 -11.426 1.00 0.00 C ATOM 658 C GLY A 42 -6.842 20.539 -11.931 1.00 0.00 C ATOM 659 O GLY A 42 -6.337 20.343 -13.035 1.00 0.00 O ATOM 0 H GLY A 42 -7.313 18.294 -12.880 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -8.924 20.188 -11.491 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -7.819 19.410 -10.375 1.00 0.00 H new ATOM 663 N GLU A 43 -6.470 21.499 -11.097 1.00 0.00 N ATOM 664 CA GLU A 43 -5.402 22.421 -11.444 1.00 0.00 C ATOM 665 C GLU A 43 -4.305 22.387 -10.378 1.00 0.00 C ATOM 666 O GLU A 43 -3.187 22.843 -10.619 1.00 0.00 O ATOM 667 CB GLU A 43 -5.942 23.840 -11.631 1.00 0.00 C ATOM 668 CG GLU A 43 -4.826 24.876 -11.476 1.00 0.00 C ATOM 669 CD GLU A 43 -5.385 26.299 -11.544 1.00 0.00 C ATOM 670 OE1 GLU A 43 -6.390 26.478 -12.264 1.00 0.00 O ATOM 671 OE2 GLU A 43 -4.793 27.173 -10.876 1.00 0.00 O ATOM 0 H GLU A 43 -6.890 21.658 -10.181 1.00 0.00 H new ATOM 0 HA GLU A 43 -4.969 22.105 -12.393 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -6.395 23.933 -12.618 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -6.727 24.034 -10.900 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -4.316 24.727 -10.524 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -4.083 24.735 -12.261 1.00 0.00 H new ATOM 678 N GLU A 44 -4.661 21.842 -9.224 1.00 0.00 N ATOM 679 CA GLU A 44 -3.720 21.743 -8.122 1.00 0.00 C ATOM 680 C GLU A 44 -3.429 20.275 -7.803 1.00 0.00 C ATOM 681 O GLU A 44 -2.497 19.971 -7.060 1.00 0.00 O ATOM 682 CB GLU A 44 -4.244 22.479 -6.887 1.00 0.00 C ATOM 683 CG GLU A 44 -5.608 21.933 -6.461 1.00 0.00 C ATOM 684 CD GLU A 44 -6.723 22.930 -6.785 1.00 0.00 C ATOM 685 OE1 GLU A 44 -6.618 24.076 -6.298 1.00 0.00 O ATOM 686 OE2 GLU A 44 -7.655 22.522 -7.512 1.00 0.00 O ATOM 0 H GLU A 44 -5.588 21.464 -9.029 1.00 0.00 H new ATOM 0 HA GLU A 44 -2.787 22.221 -8.421 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -3.534 22.373 -6.067 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -4.326 23.545 -7.102 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -5.801 20.988 -6.970 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -5.602 21.724 -5.391 1.00 0.00 H new ATOM 693 N VAL A 45 -4.243 19.404 -8.381 1.00 0.00 N ATOM 694 CA VAL A 45 -4.084 17.976 -8.168 1.00 0.00 C ATOM 695 C VAL A 45 -3.139 17.409 -9.229 1.00 0.00 C ATOM 696 O VAL A 45 -2.524 16.364 -9.022 1.00 0.00 O ATOM 697 CB VAL A 45 -5.453 17.293 -8.159 1.00 0.00 C ATOM 698 CG1 VAL A 45 -6.487 18.127 -8.917 1.00 0.00 C ATOM 699 CG2 VAL A 45 -5.364 15.877 -8.732 1.00 0.00 C ATOM 0 H VAL A 45 -5.015 19.660 -8.997 1.00 0.00 H new ATOM 0 HA VAL A 45 -3.633 17.782 -7.195 1.00 0.00 H new ATOM 0 HB VAL A 45 -5.781 17.215 -7.122 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -7.451 17.619 -8.895 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -6.582 19.105 -8.446 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -6.166 18.252 -9.951 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -6.351 15.414 -8.714 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -5.003 15.922 -9.760 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -4.674 15.284 -8.131 1.00 0.00 H new ATOM 709 N LEU A 46 -3.056 18.121 -10.343 1.00 0.00 N ATOM 710 CA LEU A 46 -2.197 17.701 -11.437 1.00 0.00 C ATOM 711 C LEU A 46 -0.751 18.091 -11.123 1.00 0.00 C ATOM 712 O LEU A 46 0.180 17.356 -11.450 1.00 0.00 O ATOM 713 CB LEU A 46 -2.710 18.260 -12.766 1.00 0.00 C ATOM 714 CG LEU A 46 -4.230 18.309 -12.929 1.00 0.00 C ATOM 715 CD1 LEU A 46 -4.615 18.726 -14.351 1.00 0.00 C ATOM 716 CD2 LEU A 46 -4.869 16.979 -12.530 1.00 0.00 C ATOM 0 H LEU A 46 -3.569 18.986 -10.512 1.00 0.00 H new ATOM 0 HA LEU A 46 -2.219 16.616 -11.544 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -2.318 19.270 -12.888 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -2.297 17.658 -13.575 1.00 0.00 H new ATOM 0 HG LEU A 46 -4.621 19.069 -12.252 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -5.701 18.753 -14.441 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -4.209 19.715 -14.563 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -4.210 18.007 -15.063 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -5.950 17.042 -12.656 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -4.476 16.183 -13.162 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -4.637 16.762 -11.487 1.00 0.00 H new ATOM 728 N ARG A 47 -0.607 19.248 -10.494 1.00 0.00 N ATOM 729 CA ARG A 47 0.709 19.746 -10.132 1.00 0.00 C ATOM 730 C ARG A 47 1.123 19.204 -8.762 1.00 0.00 C ATOM 731 O ARG A 47 2.310 19.158 -8.441 1.00 0.00 O ATOM 732 CB ARG A 47 0.731 21.274 -10.096 1.00 0.00 C ATOM 733 CG ARG A 47 -0.499 21.823 -9.369 1.00 0.00 C ATOM 734 CD ARG A 47 -0.205 23.194 -8.755 1.00 0.00 C ATOM 735 NE ARG A 47 -1.230 24.171 -9.187 1.00 0.00 N ATOM 736 CZ ARG A 47 -1.267 25.448 -8.782 1.00 0.00 C ATOM 737 NH1 ARG A 47 -0.339 25.910 -7.934 1.00 0.00 N ATOM 738 NH2 ARG A 47 -2.234 26.263 -9.228 1.00 0.00 N ATOM 0 H ARG A 47 -1.381 19.856 -10.226 1.00 0.00 H new ATOM 0 HA ARG A 47 1.412 19.403 -10.891 1.00 0.00 H new ATOM 0 HB2 ARG A 47 1.637 21.617 -9.596 1.00 0.00 H new ATOM 0 HB3 ARG A 47 0.761 21.665 -11.113 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -1.333 21.904 -10.067 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -0.804 21.128 -8.587 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -0.196 23.120 -7.668 1.00 0.00 H new ATOM 0 HD3 ARG A 47 0.785 23.534 -9.060 1.00 0.00 H new ATOM 0 HE ARG A 47 -1.953 23.853 -9.833 1.00 0.00 H new ATOM 0 HH11 ARG A 47 0.397 25.290 -7.596 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -0.368 26.882 -7.626 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -2.940 25.911 -9.874 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -2.264 27.235 -8.921 1.00 0.00 H new ATOM 752 N GLU A 48 0.122 18.809 -7.990 1.00 0.00 N ATOM 753 CA GLU A 48 0.367 18.273 -6.662 1.00 0.00 C ATOM 754 C GLU A 48 1.468 17.212 -6.713 1.00 0.00 C ATOM 755 O GLU A 48 2.155 16.978 -5.720 1.00 0.00 O ATOM 756 CB GLU A 48 -0.917 17.703 -6.055 1.00 0.00 C ATOM 757 CG GLU A 48 -1.136 18.231 -4.636 1.00 0.00 C ATOM 758 CD GLU A 48 -1.210 19.759 -4.626 1.00 0.00 C ATOM 759 OE1 GLU A 48 -0.131 20.380 -4.529 1.00 0.00 O ATOM 760 OE2 GLU A 48 -2.348 20.272 -4.716 1.00 0.00 O ATOM 0 H GLU A 48 -0.861 18.849 -8.259 1.00 0.00 H new ATOM 0 HA GLU A 48 0.703 19.087 -6.019 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -1.769 17.969 -6.681 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -0.863 16.615 -6.037 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -2.057 17.816 -4.228 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -0.323 17.898 -3.991 1.00 0.00 H new ATOM 767 N GLN A 49 1.600 16.598 -7.879 1.00 0.00 N ATOM 768 CA GLN A 49 2.606 15.567 -8.072 1.00 0.00 C ATOM 769 C GLN A 49 3.606 15.995 -9.149 1.00 0.00 C ATOM 770 O GLN A 49 4.245 15.153 -9.777 1.00 0.00 O ATOM 771 CB GLN A 49 1.958 14.228 -8.426 1.00 0.00 C ATOM 772 CG GLN A 49 1.117 13.700 -7.263 1.00 0.00 C ATOM 773 CD GLN A 49 1.926 13.682 -5.965 1.00 0.00 C ATOM 774 OE1 GLN A 49 1.881 14.600 -5.162 1.00 0.00 O ATOM 775 NE2 GLN A 49 2.666 12.589 -5.805 1.00 0.00 N ATOM 0 H GLN A 49 1.027 16.794 -8.700 1.00 0.00 H new ATOM 0 HA GLN A 49 3.147 15.435 -7.135 1.00 0.00 H new ATOM 0 HB2 GLN A 49 1.330 14.346 -9.309 1.00 0.00 H new ATOM 0 HB3 GLN A 49 2.731 13.502 -8.679 1.00 0.00 H new ATOM 0 HG2 GLN A 49 0.233 14.325 -7.136 1.00 0.00 H new ATOM 0 HG3 GLN A 49 0.766 12.694 -7.491 1.00 0.00 H new ATOM 0 HE21 GLN A 49 2.657 11.858 -6.517 1.00 0.00 H new ATOM 0 HE22 GLN A 49 3.243 12.481 -4.971 1.00 0.00 H new ATOM 784 N ALA A 50 3.707 17.304 -9.329 1.00 0.00 N ATOM 785 CA ALA A 50 4.618 17.854 -10.319 1.00 0.00 C ATOM 786 C ALA A 50 6.004 18.023 -9.693 1.00 0.00 C ATOM 787 O ALA A 50 6.511 19.139 -9.593 1.00 0.00 O ATOM 788 CB ALA A 50 4.055 19.172 -10.854 1.00 0.00 C ATOM 0 H ALA A 50 3.174 17.999 -8.807 1.00 0.00 H new ATOM 0 HA ALA A 50 4.720 17.175 -11.166 1.00 0.00 H new ATOM 0 HB1 ALA A 50 4.738 19.585 -11.596 1.00 0.00 H new ATOM 0 HB2 ALA A 50 3.084 18.992 -11.315 1.00 0.00 H new ATOM 0 HB3 ALA A 50 3.942 19.879 -10.032 1.00 0.00 H new ATOM 794 N GLY A 51 6.576 16.899 -9.288 1.00 0.00 N ATOM 795 CA GLY A 51 7.893 16.909 -8.675 1.00 0.00 C ATOM 796 C GLY A 51 8.437 15.487 -8.520 1.00 0.00 C ATOM 797 O GLY A 51 9.634 15.255 -8.683 1.00 0.00 O ATOM 0 H GLY A 51 6.152 15.975 -9.372 1.00 0.00 H new ATOM 0 HA2 GLY A 51 8.577 17.499 -9.284 1.00 0.00 H new ATOM 0 HA3 GLY A 51 7.840 17.390 -7.698 1.00 0.00 H new ATOM 801 N GLY A 52 7.532 14.573 -8.208 1.00 0.00 N ATOM 802 CA GLY A 52 7.905 13.180 -8.030 1.00 0.00 C ATOM 803 C GLY A 52 7.252 12.296 -9.094 1.00 0.00 C ATOM 804 O GLY A 52 7.397 12.549 -10.290 1.00 0.00 O ATOM 0 H GLY A 52 6.540 14.769 -8.074 1.00 0.00 H new ATOM 0 HA2 GLY A 52 8.989 13.080 -8.085 1.00 0.00 H new ATOM 0 HA3 GLY A 52 7.604 12.843 -7.038 1.00 0.00 H new ATOM 808 N ASP A 53 6.548 11.277 -8.622 1.00 0.00 N ATOM 809 CA ASP A 53 5.873 10.355 -9.520 1.00 0.00 C ATOM 810 C ASP A 53 4.360 10.565 -9.416 1.00 0.00 C ATOM 811 O ASP A 53 3.785 10.436 -8.336 1.00 0.00 O ATOM 812 CB ASP A 53 6.175 8.903 -9.145 1.00 0.00 C ATOM 813 CG ASP A 53 5.833 8.522 -7.704 1.00 0.00 C ATOM 814 OD1 ASP A 53 6.079 9.369 -6.819 1.00 0.00 O ATOM 815 OD2 ASP A 53 5.335 7.390 -7.519 1.00 0.00 O ATOM 0 H ASP A 53 6.431 11.070 -7.630 1.00 0.00 H new ATOM 0 HA ASP A 53 6.228 10.548 -10.532 1.00 0.00 H new ATOM 0 HB2 ASP A 53 5.623 8.247 -9.819 1.00 0.00 H new ATOM 0 HB3 ASP A 53 7.235 8.713 -9.313 1.00 0.00 H new ATOM 820 N ALA A 54 3.760 10.885 -10.552 1.00 0.00 N ATOM 821 CA ALA A 54 2.327 11.114 -10.603 1.00 0.00 C ATOM 822 C ALA A 54 1.618 9.805 -10.959 1.00 0.00 C ATOM 823 O ALA A 54 0.432 9.642 -10.678 1.00 0.00 O ATOM 824 CB ALA A 54 2.023 12.232 -11.602 1.00 0.00 C ATOM 0 H ALA A 54 4.241 10.991 -11.445 1.00 0.00 H new ATOM 0 HA ALA A 54 1.955 11.437 -9.630 1.00 0.00 H new ATOM 0 HB1 ALA A 54 0.947 12.403 -11.640 1.00 0.00 H new ATOM 0 HB2 ALA A 54 2.525 13.147 -11.288 1.00 0.00 H new ATOM 0 HB3 ALA A 54 2.379 11.943 -12.591 1.00 0.00 H new ATOM 830 N THR A 55 2.375 8.908 -11.572 1.00 0.00 N ATOM 831 CA THR A 55 1.834 7.619 -11.969 1.00 0.00 C ATOM 832 C THR A 55 1.091 6.970 -10.800 1.00 0.00 C ATOM 833 O THR A 55 -0.007 6.443 -10.974 1.00 0.00 O ATOM 834 CB THR A 55 2.987 6.767 -12.504 1.00 0.00 C ATOM 835 OG1 THR A 55 2.492 5.432 -12.438 1.00 0.00 O ATOM 836 CG2 THR A 55 4.196 6.762 -11.565 1.00 0.00 C ATOM 0 H THR A 55 3.358 9.048 -11.804 1.00 0.00 H new ATOM 0 HA THR A 55 1.095 7.728 -12.763 1.00 0.00 H new ATOM 0 HB THR A 55 3.289 7.139 -13.483 1.00 0.00 H new ATOM 0 HG1 THR A 55 3.176 4.813 -12.768 1.00 0.00 H new ATOM 0 HG21 THR A 55 4.985 6.143 -11.991 1.00 0.00 H new ATOM 0 HG22 THR A 55 4.562 7.781 -11.438 1.00 0.00 H new ATOM 0 HG23 THR A 55 3.902 6.359 -10.596 1.00 0.00 H new ATOM 844 N GLU A 56 1.718 7.028 -9.635 1.00 0.00 N ATOM 845 CA GLU A 56 1.130 6.453 -8.438 1.00 0.00 C ATOM 846 C GLU A 56 -0.330 6.892 -8.300 1.00 0.00 C ATOM 847 O GLU A 56 -1.168 6.129 -7.822 1.00 0.00 O ATOM 848 CB GLU A 56 1.935 6.832 -7.194 1.00 0.00 C ATOM 849 CG GLU A 56 2.368 8.298 -7.247 1.00 0.00 C ATOM 850 CD GLU A 56 2.375 8.918 -5.848 1.00 0.00 C ATOM 851 OE1 GLU A 56 1.534 8.485 -5.031 1.00 0.00 O ATOM 852 OE2 GLU A 56 3.221 9.812 -5.627 1.00 0.00 O ATOM 0 H GLU A 56 2.629 7.465 -9.494 1.00 0.00 H new ATOM 0 HA GLU A 56 1.156 5.367 -8.531 1.00 0.00 H new ATOM 0 HB2 GLU A 56 1.334 6.659 -6.301 1.00 0.00 H new ATOM 0 HB3 GLU A 56 2.814 6.192 -7.116 1.00 0.00 H new ATOM 0 HG2 GLU A 56 3.363 8.372 -7.686 1.00 0.00 H new ATOM 0 HG3 GLU A 56 1.692 8.858 -7.893 1.00 0.00 H new ATOM 859 N ASN A 57 -0.588 8.118 -8.728 1.00 0.00 N ATOM 860 CA ASN A 57 -1.932 8.668 -8.658 1.00 0.00 C ATOM 861 C ASN A 57 -2.591 8.568 -10.035 1.00 0.00 C ATOM 862 O ASN A 57 -3.754 8.186 -10.145 1.00 0.00 O ATOM 863 CB ASN A 57 -1.903 10.143 -8.252 1.00 0.00 C ATOM 864 CG ASN A 57 -1.991 10.296 -6.733 1.00 0.00 C ATOM 865 OD1 ASN A 57 -3.031 10.603 -6.173 1.00 0.00 O ATOM 866 ND2 ASN A 57 -0.845 10.064 -6.099 1.00 0.00 N ATOM 0 H ASN A 57 0.110 8.747 -9.125 1.00 0.00 H new ATOM 0 HA ASN A 57 -2.491 8.101 -7.914 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -0.985 10.606 -8.615 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -2.733 10.670 -8.723 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -0.800 10.139 -5.083 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -0.011 9.811 -6.629 1.00 0.00 H new ATOM 873 N PHE A 58 -1.817 8.920 -11.052 1.00 0.00 N ATOM 874 CA PHE A 58 -2.311 8.875 -12.418 1.00 0.00 C ATOM 875 C PHE A 58 -2.769 7.463 -12.789 1.00 0.00 C ATOM 876 O PHE A 58 -3.785 7.292 -13.462 1.00 0.00 O ATOM 877 CB PHE A 58 -1.148 9.276 -13.328 1.00 0.00 C ATOM 878 CG PHE A 58 -1.319 8.842 -14.785 1.00 0.00 C ATOM 879 CD1 PHE A 58 -1.236 7.526 -15.117 1.00 0.00 C ATOM 880 CD2 PHE A 58 -1.555 9.773 -15.748 1.00 0.00 C ATOM 881 CE1 PHE A 58 -1.395 7.123 -16.469 1.00 0.00 C ATOM 882 CE2 PHE A 58 -1.715 9.370 -17.101 1.00 0.00 C ATOM 883 CZ PHE A 58 -1.631 8.053 -17.432 1.00 0.00 C ATOM 0 H PHE A 58 -0.852 9.237 -10.957 1.00 0.00 H new ATOM 0 HA PHE A 58 -3.163 9.546 -12.527 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -1.030 10.359 -13.294 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -0.228 8.843 -12.936 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -1.049 6.787 -14.352 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -1.621 10.818 -15.484 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -1.328 6.078 -16.732 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -1.903 10.109 -17.866 1.00 0.00 H new ATOM 0 HZ PHE A 58 -1.752 7.746 -18.460 1.00 0.00 H new ATOM 893 N GLU A 59 -1.997 6.486 -12.336 1.00 0.00 N ATOM 894 CA GLU A 59 -2.312 5.095 -12.612 1.00 0.00 C ATOM 895 C GLU A 59 -3.371 4.585 -11.633 1.00 0.00 C ATOM 896 O GLU A 59 -3.999 3.555 -11.873 1.00 0.00 O ATOM 897 CB GLU A 59 -1.052 4.227 -12.555 1.00 0.00 C ATOM 898 CG GLU A 59 -0.710 3.667 -13.938 1.00 0.00 C ATOM 899 CD GLU A 59 -0.768 2.138 -13.940 1.00 0.00 C ATOM 900 OE1 GLU A 59 -1.871 1.612 -13.679 1.00 0.00 O ATOM 901 OE2 GLU A 59 0.292 1.531 -14.202 1.00 0.00 O ATOM 0 H GLU A 59 -1.154 6.630 -11.780 1.00 0.00 H new ATOM 0 HA GLU A 59 -2.717 5.028 -13.622 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -0.216 4.817 -12.181 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -1.202 3.407 -11.853 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -1.407 4.062 -14.677 1.00 0.00 H new ATOM 0 HG3 GLU A 59 0.286 3.997 -14.232 1.00 0.00 H new ATOM 908 N ASP A 60 -3.540 5.331 -10.552 1.00 0.00 N ATOM 909 CA ASP A 60 -4.513 4.969 -9.536 1.00 0.00 C ATOM 910 C ASP A 60 -5.924 5.189 -10.087 1.00 0.00 C ATOM 911 O ASP A 60 -6.752 4.280 -10.063 1.00 0.00 O ATOM 912 CB ASP A 60 -4.354 5.834 -8.286 1.00 0.00 C ATOM 913 CG ASP A 60 -5.653 6.131 -7.534 1.00 0.00 C ATOM 914 OD1 ASP A 60 -6.461 6.911 -8.082 1.00 0.00 O ATOM 915 OD2 ASP A 60 -5.809 5.571 -6.427 1.00 0.00 O ATOM 0 H ASP A 60 -3.019 6.186 -10.357 1.00 0.00 H new ATOM 0 HA ASP A 60 -4.352 3.924 -9.273 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -3.663 5.337 -7.605 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -3.894 6.780 -8.573 1.00 0.00 H new ATOM 920 N VAL A 61 -6.154 6.401 -10.568 1.00 0.00 N ATOM 921 CA VAL A 61 -7.450 6.752 -11.124 1.00 0.00 C ATOM 922 C VAL A 61 -7.761 5.829 -12.304 1.00 0.00 C ATOM 923 O VAL A 61 -8.918 5.693 -12.702 1.00 0.00 O ATOM 924 CB VAL A 61 -7.473 8.234 -11.502 1.00 0.00 C ATOM 925 CG1 VAL A 61 -6.134 8.667 -12.103 1.00 0.00 C ATOM 926 CG2 VAL A 61 -8.628 8.538 -12.459 1.00 0.00 C ATOM 0 H VAL A 61 -5.465 7.153 -10.584 1.00 0.00 H new ATOM 0 HA VAL A 61 -8.236 6.607 -10.382 1.00 0.00 H new ATOM 0 HB VAL A 61 -7.633 8.810 -10.591 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -6.177 9.725 -12.363 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -5.339 8.504 -11.375 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -5.931 8.081 -12.999 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -8.622 9.598 -12.712 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -8.512 7.947 -13.368 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -9.574 8.285 -11.980 1.00 0.00 H new ATOM 936 N GLY A 62 -6.710 5.219 -12.831 1.00 0.00 N ATOM 937 CA GLY A 62 -6.856 4.312 -13.956 1.00 0.00 C ATOM 938 C GLY A 62 -7.242 5.074 -15.226 1.00 0.00 C ATOM 939 O GLY A 62 -8.406 5.073 -15.625 1.00 0.00 O ATOM 0 H GLY A 62 -5.753 5.335 -12.499 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -5.921 3.775 -14.119 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -7.617 3.565 -13.730 1.00 0.00 H new ATOM 943 N HIS A 63 -6.243 5.704 -15.826 1.00 0.00 N ATOM 944 CA HIS A 63 -6.463 6.468 -17.042 1.00 0.00 C ATOM 945 C HIS A 63 -6.670 5.512 -18.218 1.00 0.00 C ATOM 946 O HIS A 63 -5.992 4.490 -18.318 1.00 0.00 O ATOM 947 CB HIS A 63 -5.320 7.458 -17.277 1.00 0.00 C ATOM 948 CG HIS A 63 -5.367 8.673 -16.382 1.00 0.00 C ATOM 949 ND1 HIS A 63 -4.611 8.784 -15.228 1.00 0.00 N ATOM 950 CD2 HIS A 63 -6.086 9.828 -16.484 1.00 0.00 C ATOM 951 CE1 HIS A 63 -4.871 9.957 -14.668 1.00 0.00 C ATOM 952 NE2 HIS A 63 -5.786 10.602 -15.447 1.00 0.00 N ATOM 0 H HIS A 63 -5.279 5.701 -15.493 1.00 0.00 H new ATOM 0 HA HIS A 63 -7.369 7.066 -16.941 1.00 0.00 H new ATOM 0 HB2 HIS A 63 -4.371 6.944 -17.125 1.00 0.00 H new ATOM 0 HB3 HIS A 63 -5.343 7.784 -18.317 1.00 0.00 H new ATOM 0 HD1 HIS A 63 -3.964 8.082 -14.869 1.00 0.00 H new ATOM 0 HD2 HIS A 63 -6.781 10.072 -17.274 1.00 0.00 H new ATOM 0 HE1 HIS A 63 -4.435 10.335 -13.755 1.00 0.00 H new ATOM 960 N SER A 64 -7.609 5.877 -19.079 1.00 0.00 N ATOM 961 CA SER A 64 -7.913 5.065 -20.244 1.00 0.00 C ATOM 962 C SER A 64 -6.618 4.644 -20.942 1.00 0.00 C ATOM 963 O SER A 64 -5.611 5.347 -20.866 1.00 0.00 O ATOM 964 CB SER A 64 -8.820 5.818 -21.220 1.00 0.00 C ATOM 965 OG SER A 64 -9.935 5.031 -21.628 1.00 0.00 O ATOM 0 H SER A 64 -8.169 6.725 -18.992 1.00 0.00 H new ATOM 0 HA SER A 64 -8.444 4.174 -19.909 1.00 0.00 H new ATOM 0 HB2 SER A 64 -9.176 6.735 -20.750 1.00 0.00 H new ATOM 0 HB3 SER A 64 -8.244 6.112 -22.097 1.00 0.00 H new ATOM 0 HG SER A 64 -10.490 5.547 -22.249 1.00 0.00 H new ATOM 971 N THR A 65 -6.685 3.500 -21.606 1.00 0.00 N ATOM 972 CA THR A 65 -5.531 2.977 -22.316 1.00 0.00 C ATOM 973 C THR A 65 -5.272 3.791 -23.586 1.00 0.00 C ATOM 974 O THR A 65 -4.141 3.859 -24.064 1.00 0.00 O ATOM 975 CB THR A 65 -5.775 1.491 -22.586 1.00 0.00 C ATOM 976 OG1 THR A 65 -7.012 1.465 -23.292 1.00 0.00 O ATOM 977 CG2 THR A 65 -6.060 0.702 -21.307 1.00 0.00 C ATOM 0 H THR A 65 -7.522 2.920 -21.667 1.00 0.00 H new ATOM 0 HA THR A 65 -4.624 3.069 -21.718 1.00 0.00 H new ATOM 0 HB THR A 65 -4.906 1.066 -23.088 1.00 0.00 H new ATOM 0 HG1 THR A 65 -7.246 0.538 -23.509 1.00 0.00 H new ATOM 0 HG21 THR A 65 -6.226 -0.346 -21.555 1.00 0.00 H new ATOM 0 HG22 THR A 65 -5.209 0.784 -20.631 1.00 0.00 H new ATOM 0 HG23 THR A 65 -6.949 1.105 -20.821 1.00 0.00 H new ATOM 985 N ASP A 66 -6.340 4.387 -24.096 1.00 0.00 N ATOM 986 CA ASP A 66 -6.242 5.194 -25.301 1.00 0.00 C ATOM 987 C ASP A 66 -6.077 6.665 -24.912 1.00 0.00 C ATOM 988 O ASP A 66 -6.262 7.553 -25.743 1.00 0.00 O ATOM 989 CB ASP A 66 -7.508 5.068 -26.150 1.00 0.00 C ATOM 990 CG ASP A 66 -7.979 3.635 -26.403 1.00 0.00 C ATOM 991 OD1 ASP A 66 -7.100 2.788 -26.677 1.00 0.00 O ATOM 992 OD2 ASP A 66 -9.207 3.417 -26.316 1.00 0.00 O ATOM 0 H ASP A 66 -7.277 4.327 -23.697 1.00 0.00 H new ATOM 0 HA ASP A 66 -5.385 4.842 -25.876 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -8.312 5.617 -25.660 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -7.332 5.551 -27.111 1.00 0.00 H new ATOM 997 N VAL A 67 -5.733 6.875 -23.651 1.00 0.00 N ATOM 998 CA VAL A 67 -5.540 8.223 -23.142 1.00 0.00 C ATOM 999 C VAL A 67 -4.214 8.777 -23.666 1.00 0.00 C ATOM 1000 O VAL A 67 -3.947 9.972 -23.552 1.00 0.00 O ATOM 1001 CB VAL A 67 -5.628 8.224 -21.615 1.00 0.00 C ATOM 1002 CG1 VAL A 67 -4.287 7.835 -20.989 1.00 0.00 C ATOM 1003 CG2 VAL A 67 -6.103 9.581 -21.094 1.00 0.00 C ATOM 0 H VAL A 67 -5.583 6.135 -22.966 1.00 0.00 H new ATOM 0 HA VAL A 67 -6.331 8.883 -23.499 1.00 0.00 H new ATOM 0 HB VAL A 67 -6.365 7.476 -21.321 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -4.377 7.843 -19.903 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -4.006 6.836 -21.322 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -3.522 8.548 -21.295 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -6.157 9.554 -20.006 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -5.401 10.356 -21.404 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -7.090 9.802 -21.501 1.00 0.00 H new ATOM 1013 N ARG A 68 -3.415 7.881 -24.227 1.00 0.00 N ATOM 1014 CA ARG A 68 -2.123 8.264 -24.769 1.00 0.00 C ATOM 1015 C ARG A 68 -2.304 9.208 -25.960 1.00 0.00 C ATOM 1016 O ARG A 68 -1.345 9.825 -26.418 1.00 0.00 O ATOM 1017 CB ARG A 68 -1.326 7.037 -25.216 1.00 0.00 C ATOM 1018 CG ARG A 68 0.095 7.426 -25.629 1.00 0.00 C ATOM 1019 CD ARG A 68 0.941 6.183 -25.916 1.00 0.00 C ATOM 1020 NE ARG A 68 2.180 6.219 -25.108 1.00 0.00 N ATOM 1021 CZ ARG A 68 2.256 5.823 -23.830 1.00 0.00 C ATOM 1022 NH1 ARG A 68 1.164 5.361 -23.206 1.00 0.00 N ATOM 1023 NH2 ARG A 68 3.423 5.890 -23.176 1.00 0.00 N ATOM 0 H ARG A 68 -3.638 6.890 -24.318 1.00 0.00 H new ATOM 0 HA ARG A 68 -1.571 8.773 -23.979 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -1.286 6.310 -24.405 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -1.832 6.555 -26.052 1.00 0.00 H new ATOM 0 HG2 ARG A 68 0.060 8.059 -26.516 1.00 0.00 H new ATOM 0 HG3 ARG A 68 0.560 8.012 -24.837 1.00 0.00 H new ATOM 0 HD2 ARG A 68 0.371 5.283 -25.684 1.00 0.00 H new ATOM 0 HD3 ARG A 68 1.189 6.138 -26.976 1.00 0.00 H new ATOM 0 HE ARG A 68 3.030 6.567 -25.552 1.00 0.00 H new ATOM 0 HH11 ARG A 68 0.275 5.311 -23.704 1.00 0.00 H new ATOM 0 HH12 ARG A 68 1.222 5.060 -22.233 1.00 0.00 H new ATOM 0 HH21 ARG A 68 4.254 6.243 -23.651 1.00 0.00 H new ATOM 0 HH22 ARG A 68 3.481 5.589 -22.203 1.00 0.00 H new ATOM 1037 N GLU A 69 -3.543 9.288 -26.426 1.00 0.00 N ATOM 1038 CA GLU A 69 -3.862 10.146 -27.555 1.00 0.00 C ATOM 1039 C GLU A 69 -4.192 11.559 -27.071 1.00 0.00 C ATOM 1040 O GLU A 69 -4.290 12.486 -27.873 1.00 0.00 O ATOM 1041 CB GLU A 69 -5.014 9.564 -28.375 1.00 0.00 C ATOM 1042 CG GLU A 69 -6.349 9.743 -27.650 1.00 0.00 C ATOM 1043 CD GLU A 69 -7.406 8.781 -28.200 1.00 0.00 C ATOM 1044 OE1 GLU A 69 -7.108 7.567 -28.227 1.00 0.00 O ATOM 1045 OE2 GLU A 69 -8.485 9.282 -28.581 1.00 0.00 O ATOM 0 H GLU A 69 -4.336 8.774 -26.043 1.00 0.00 H new ATOM 0 HA GLU A 69 -2.988 10.201 -28.204 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -5.056 10.054 -29.348 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -4.835 8.505 -28.559 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -6.213 9.568 -26.583 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -6.694 10.771 -27.764 1.00 0.00 H new ATOM 1052 N LEU A 70 -4.354 11.679 -25.761 1.00 0.00 N ATOM 1053 CA LEU A 70 -4.670 12.964 -25.162 1.00 0.00 C ATOM 1054 C LEU A 70 -3.397 13.807 -25.070 1.00 0.00 C ATOM 1055 O LEU A 70 -3.273 14.825 -25.748 1.00 0.00 O ATOM 1056 CB LEU A 70 -5.376 12.768 -23.818 1.00 0.00 C ATOM 1057 CG LEU A 70 -6.881 13.044 -23.804 1.00 0.00 C ATOM 1058 CD1 LEU A 70 -7.164 14.545 -23.878 1.00 0.00 C ATOM 1059 CD2 LEU A 70 -7.590 12.271 -24.919 1.00 0.00 C ATOM 0 H LEU A 70 -4.272 10.908 -25.099 1.00 0.00 H new ATOM 0 HA LEU A 70 -5.372 13.514 -25.789 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -5.212 11.741 -23.490 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -4.901 13.417 -23.083 1.00 0.00 H new ATOM 0 HG LEU A 70 -7.285 12.687 -22.857 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -8.241 14.713 -23.866 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -6.710 15.044 -23.022 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -6.743 14.950 -24.799 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -8.658 12.485 -24.887 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -7.188 12.575 -25.885 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -7.429 11.202 -24.780 1.00 0.00 H new ATOM 1071 N SER A 71 -2.483 13.351 -24.225 1.00 0.00 N ATOM 1072 CA SER A 71 -1.224 14.051 -24.036 1.00 0.00 C ATOM 1073 C SER A 71 -0.201 13.577 -25.071 1.00 0.00 C ATOM 1074 O SER A 71 0.517 12.607 -24.839 1.00 0.00 O ATOM 1075 CB SER A 71 -0.683 13.840 -22.620 1.00 0.00 C ATOM 1076 OG SER A 71 0.217 14.874 -22.233 1.00 0.00 O ATOM 0 H SER A 71 -2.590 12.506 -23.664 1.00 0.00 H new ATOM 0 HA SER A 71 -1.402 15.118 -24.172 1.00 0.00 H new ATOM 0 HB2 SER A 71 -1.515 13.801 -21.916 1.00 0.00 H new ATOM 0 HB3 SER A 71 -0.174 12.878 -22.566 1.00 0.00 H new ATOM 0 HG SER A 71 0.414 14.795 -21.276 1.00 0.00 H new ATOM 1082 N LYS A 72 -0.169 14.284 -26.191 1.00 0.00 N ATOM 1083 CA LYS A 72 0.754 13.947 -27.262 1.00 0.00 C ATOM 1084 C LYS A 72 1.693 15.129 -27.511 1.00 0.00 C ATOM 1085 O LYS A 72 2.912 14.967 -27.523 1.00 0.00 O ATOM 1086 CB LYS A 72 -0.012 13.497 -28.507 1.00 0.00 C ATOM 1087 CG LYS A 72 0.438 12.104 -28.954 1.00 0.00 C ATOM 1088 CD LYS A 72 1.355 12.189 -30.174 1.00 0.00 C ATOM 1089 CE LYS A 72 2.822 12.028 -29.770 1.00 0.00 C ATOM 1090 NZ LYS A 72 3.294 10.657 -30.065 1.00 0.00 N ATOM 0 H LYS A 72 -0.767 15.088 -26.380 1.00 0.00 H new ATOM 0 HA LYS A 72 1.377 13.100 -26.976 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -1.081 13.488 -28.297 1.00 0.00 H new ATOM 0 HB3 LYS A 72 0.148 14.211 -29.315 1.00 0.00 H new ATOM 0 HG2 LYS A 72 0.960 11.607 -28.136 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -0.434 11.495 -29.192 1.00 0.00 H new ATOM 0 HD2 LYS A 72 1.085 11.414 -30.891 1.00 0.00 H new ATOM 0 HD3 LYS A 72 1.215 13.148 -30.673 1.00 0.00 H new ATOM 0 HE2 LYS A 72 3.434 12.753 -30.306 1.00 0.00 H new ATOM 0 HE3 LYS A 72 2.937 12.238 -28.707 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 4.291 10.565 -29.785 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 2.721 9.971 -29.534 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 3.202 10.470 -31.084 1.00 0.00 H new ATOM 1104 N THR A 73 1.089 16.293 -27.705 1.00 0.00 N ATOM 1105 CA THR A 73 1.855 17.502 -27.953 1.00 0.00 C ATOM 1106 C THR A 73 2.369 18.088 -26.636 1.00 0.00 C ATOM 1107 O THR A 73 3.399 18.759 -26.611 1.00 0.00 O ATOM 1108 CB THR A 73 0.971 18.468 -28.744 1.00 0.00 C ATOM 1109 OG1 THR A 73 1.885 19.164 -29.587 1.00 0.00 O ATOM 1110 CG2 THR A 73 0.368 19.564 -27.862 1.00 0.00 C ATOM 0 H THR A 73 0.077 16.424 -27.695 1.00 0.00 H new ATOM 0 HA THR A 73 2.744 17.292 -28.547 1.00 0.00 H new ATOM 0 HB THR A 73 0.170 17.912 -29.231 1.00 0.00 H new ATOM 0 HG1 THR A 73 1.395 19.811 -30.137 1.00 0.00 H new ATOM 0 HG21 THR A 73 -0.250 20.223 -28.472 1.00 0.00 H new ATOM 0 HG22 THR A 73 -0.245 19.109 -27.084 1.00 0.00 H new ATOM 0 HG23 THR A 73 1.169 20.142 -27.401 1.00 0.00 H new ATOM 1118 N TYR A 74 1.627 17.812 -25.573 1.00 0.00 N ATOM 1119 CA TYR A 74 1.994 18.303 -24.256 1.00 0.00 C ATOM 1120 C TYR A 74 3.150 17.488 -23.671 1.00 0.00 C ATOM 1121 O TYR A 74 3.573 17.728 -22.540 1.00 0.00 O ATOM 1122 CB TYR A 74 0.758 18.117 -23.376 1.00 0.00 C ATOM 1123 CG TYR A 74 -0.537 18.632 -24.006 1.00 0.00 C ATOM 1124 CD1 TYR A 74 -0.530 19.800 -24.742 1.00 0.00 C ATOM 1125 CD2 TYR A 74 -1.714 17.930 -23.838 1.00 0.00 C ATOM 1126 CE1 TYR A 74 -1.749 20.285 -25.335 1.00 0.00 C ATOM 1127 CE2 TYR A 74 -2.933 18.416 -24.432 1.00 0.00 C ATOM 1128 CZ TYR A 74 -2.890 19.569 -25.152 1.00 0.00 C ATOM 1129 OH TYR A 74 -4.041 20.028 -25.712 1.00 0.00 O ATOM 0 H TYR A 74 0.773 17.254 -25.598 1.00 0.00 H new ATOM 0 HA TYR A 74 2.315 19.343 -24.310 1.00 0.00 H new ATOM 0 HB2 TYR A 74 0.643 17.057 -23.148 1.00 0.00 H new ATOM 0 HB3 TYR A 74 0.919 18.631 -22.428 1.00 0.00 H new ATOM 0 HD1 TYR A 74 0.390 20.350 -24.873 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -1.721 17.017 -23.261 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -1.757 21.198 -25.913 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -3.861 17.877 -24.308 1.00 0.00 H new ATOM 0 HH TYR A 74 -4.775 19.415 -25.500 1.00 0.00 H new ATOM 1139 N ILE A 75 3.628 16.543 -24.465 1.00 0.00 N ATOM 1140 CA ILE A 75 4.726 15.691 -24.040 1.00 0.00 C ATOM 1141 C ILE A 75 6.011 16.519 -23.975 1.00 0.00 C ATOM 1142 O ILE A 75 6.188 17.459 -24.748 1.00 0.00 O ATOM 1143 CB ILE A 75 4.831 14.461 -24.942 1.00 0.00 C ATOM 1144 CG1 ILE A 75 3.975 13.312 -24.405 1.00 0.00 C ATOM 1145 CG2 ILE A 75 6.291 14.046 -25.136 1.00 0.00 C ATOM 1146 CD1 ILE A 75 4.672 12.606 -23.240 1.00 0.00 C ATOM 0 H ILE A 75 3.275 16.348 -25.402 1.00 0.00 H new ATOM 0 HA ILE A 75 4.543 15.305 -23.037 1.00 0.00 H new ATOM 0 HB ILE A 75 4.438 14.724 -25.924 1.00 0.00 H new ATOM 0 HG12 ILE A 75 3.009 13.696 -24.077 1.00 0.00 H new ATOM 0 HG13 ILE A 75 3.779 12.596 -25.203 1.00 0.00 H new ATOM 0 HG21 ILE A 75 6.337 13.169 -25.781 1.00 0.00 H new ATOM 0 HG22 ILE A 75 6.844 14.865 -25.596 1.00 0.00 H new ATOM 0 HG23 ILE A 75 6.733 13.808 -24.169 1.00 0.00 H new ATOM 0 HD11 ILE A 75 4.042 11.794 -22.877 1.00 0.00 H new ATOM 0 HD12 ILE A 75 5.626 12.202 -23.578 1.00 0.00 H new ATOM 0 HD13 ILE A 75 4.845 13.319 -22.434 1.00 0.00 H new ATOM 1158 N ILE A 76 6.876 16.139 -23.046 1.00 0.00 N ATOM 1159 CA ILE A 76 8.139 16.834 -22.870 1.00 0.00 C ATOM 1160 C ILE A 76 9.288 15.897 -23.246 1.00 0.00 C ATOM 1161 O ILE A 76 10.240 16.309 -23.908 1.00 0.00 O ATOM 1162 CB ILE A 76 8.248 17.402 -21.453 1.00 0.00 C ATOM 1163 CG1 ILE A 76 9.322 16.667 -20.648 1.00 0.00 C ATOM 1164 CG2 ILE A 76 6.889 17.378 -20.749 1.00 0.00 C ATOM 1165 CD1 ILE A 76 9.772 17.500 -19.446 1.00 0.00 C ATOM 0 H ILE A 76 6.726 15.358 -22.407 1.00 0.00 H new ATOM 0 HA ILE A 76 8.195 17.694 -23.537 1.00 0.00 H new ATOM 0 HB ILE A 76 8.557 18.445 -21.525 1.00 0.00 H new ATOM 0 HG12 ILE A 76 8.932 15.708 -20.305 1.00 0.00 H new ATOM 0 HG13 ILE A 76 10.178 16.453 -21.288 1.00 0.00 H new ATOM 0 HG21 ILE A 76 6.993 17.787 -19.744 1.00 0.00 H new ATOM 0 HG22 ILE A 76 6.176 17.979 -21.313 1.00 0.00 H new ATOM 0 HG23 ILE A 76 6.529 16.351 -20.688 1.00 0.00 H new ATOM 0 HD11 ILE A 76 10.535 16.955 -18.891 1.00 0.00 H new ATOM 0 HD12 ILE A 76 10.183 18.448 -19.794 1.00 0.00 H new ATOM 0 HD13 ILE A 76 8.918 17.692 -18.796 1.00 0.00 H new ATOM 1177 N GLY A 77 9.163 14.653 -22.808 1.00 0.00 N ATOM 1178 CA GLY A 77 10.179 13.654 -23.090 1.00 0.00 C ATOM 1179 C GLY A 77 10.261 12.621 -21.964 1.00 0.00 C ATOM 1180 O GLY A 77 9.284 11.931 -21.677 1.00 0.00 O ATOM 0 H GLY A 77 8.373 14.314 -22.259 1.00 0.00 H new ATOM 0 HA2 GLY A 77 9.951 13.154 -24.031 1.00 0.00 H new ATOM 0 HA3 GLY A 77 11.147 14.140 -23.214 1.00 0.00 H new ATOM 1184 N GLU A 78 11.435 12.549 -21.355 1.00 0.00 N ATOM 1185 CA GLU A 78 11.658 11.613 -20.266 1.00 0.00 C ATOM 1186 C GLU A 78 12.874 12.037 -19.441 1.00 0.00 C ATOM 1187 O GLU A 78 13.984 12.123 -19.964 1.00 0.00 O ATOM 1188 CB GLU A 78 11.825 10.187 -20.795 1.00 0.00 C ATOM 1189 CG GLU A 78 12.704 10.166 -22.047 1.00 0.00 C ATOM 1190 CD GLU A 78 12.808 8.750 -22.620 1.00 0.00 C ATOM 1191 OE1 GLU A 78 12.993 7.821 -21.805 1.00 0.00 O ATOM 1192 OE2 GLU A 78 12.700 8.631 -23.859 1.00 0.00 O ATOM 0 H GLU A 78 12.243 13.124 -21.595 1.00 0.00 H new ATOM 0 HA GLU A 78 10.782 11.625 -19.618 1.00 0.00 H new ATOM 0 HB2 GLU A 78 12.270 9.559 -20.023 1.00 0.00 H new ATOM 0 HB3 GLU A 78 10.847 9.764 -21.026 1.00 0.00 H new ATOM 0 HG2 GLU A 78 12.288 10.837 -22.799 1.00 0.00 H new ATOM 0 HG3 GLU A 78 13.699 10.538 -21.803 1.00 0.00 H new ATOM 1199 N LEU A 79 12.624 12.292 -18.165 1.00 0.00 N ATOM 1200 CA LEU A 79 13.685 12.706 -17.262 1.00 0.00 C ATOM 1201 C LEU A 79 14.838 11.705 -17.345 1.00 0.00 C ATOM 1202 O LEU A 79 14.656 10.579 -17.805 1.00 0.00 O ATOM 1203 CB LEU A 79 13.138 12.898 -15.846 1.00 0.00 C ATOM 1204 CG LEU A 79 13.213 11.677 -14.927 1.00 0.00 C ATOM 1205 CD1 LEU A 79 12.896 10.393 -15.694 1.00 0.00 C ATOM 1206 CD2 LEU A 79 14.569 11.604 -14.222 1.00 0.00 C ATOM 0 H LEU A 79 11.702 12.220 -17.735 1.00 0.00 H new ATOM 0 HA LEU A 79 14.082 13.676 -17.560 1.00 0.00 H new ATOM 0 HB2 LEU A 79 13.683 13.716 -15.375 1.00 0.00 H new ATOM 0 HB3 LEU A 79 12.096 13.209 -15.919 1.00 0.00 H new ATOM 0 HG LEU A 79 12.453 11.785 -14.153 1.00 0.00 H new ATOM 0 HD11 LEU A 79 12.956 9.541 -15.017 1.00 0.00 H new ATOM 0 HD12 LEU A 79 11.890 10.456 -16.109 1.00 0.00 H new ATOM 0 HD13 LEU A 79 13.615 10.266 -16.503 1.00 0.00 H new ATOM 0 HD21 LEU A 79 14.596 10.727 -13.575 1.00 0.00 H new ATOM 0 HD22 LEU A 79 15.362 11.531 -14.966 1.00 0.00 H new ATOM 0 HD23 LEU A 79 14.716 12.502 -13.622 1.00 0.00 H new ATOM 1218 N HIS A 80 16.001 12.151 -16.892 1.00 0.00 N ATOM 1219 CA HIS A 80 17.184 11.309 -16.910 1.00 0.00 C ATOM 1220 C HIS A 80 16.789 9.863 -16.604 1.00 0.00 C ATOM 1221 O HIS A 80 15.955 9.614 -15.736 1.00 0.00 O ATOM 1222 CB HIS A 80 18.249 11.847 -15.953 1.00 0.00 C ATOM 1223 CG HIS A 80 19.664 11.509 -16.355 1.00 0.00 C ATOM 1224 ND1 HIS A 80 20.462 10.641 -15.631 1.00 0.00 N ATOM 1225 CD2 HIS A 80 20.415 11.930 -17.412 1.00 0.00 C ATOM 1226 CE1 HIS A 80 21.639 10.551 -16.234 1.00 0.00 C ATOM 1227 NE2 HIS A 80 21.607 11.352 -17.338 1.00 0.00 N ATOM 0 H HIS A 80 16.149 13.085 -16.510 1.00 0.00 H new ATOM 0 HA HIS A 80 17.631 11.325 -17.904 1.00 0.00 H new ATOM 0 HB2 HIS A 80 18.150 12.931 -15.888 1.00 0.00 H new ATOM 0 HB3 HIS A 80 18.061 11.449 -14.956 1.00 0.00 H new ATOM 0 HD2 HIS A 80 20.094 12.618 -18.180 1.00 0.00 H new ATOM 0 HE1 HIS A 80 22.475 9.950 -15.909 1.00 0.00 H new ATOM 0 HE2 HIS A 80 22.373 11.485 -17.998 1.00 0.00 H new ATOM 1235 N PRO A 81 17.423 8.923 -17.356 1.00 0.00 N ATOM 1236 CA PRO A 81 17.147 7.508 -17.173 1.00 0.00 C ATOM 1237 C PRO A 81 17.804 6.981 -15.896 1.00 0.00 C ATOM 1238 O PRO A 81 17.395 5.951 -15.363 1.00 0.00 O ATOM 1239 CB PRO A 81 17.674 6.838 -18.432 1.00 0.00 C ATOM 1240 CG PRO A 81 18.638 7.833 -19.060 1.00 0.00 C ATOM 1241 CD PRO A 81 18.418 9.181 -18.394 1.00 0.00 C ATOM 0 HA PRO A 81 16.085 7.301 -17.042 1.00 0.00 H new ATOM 0 HB2 PRO A 81 18.179 5.902 -18.194 1.00 0.00 H new ATOM 0 HB3 PRO A 81 16.860 6.597 -19.116 1.00 0.00 H new ATOM 0 HG2 PRO A 81 19.668 7.504 -18.924 1.00 0.00 H new ATOM 0 HG3 PRO A 81 18.466 7.905 -20.134 1.00 0.00 H new ATOM 0 HD2 PRO A 81 19.344 9.568 -17.968 1.00 0.00 H new ATOM 0 HD3 PRO A 81 18.062 9.923 -19.109 1.00 0.00 H new ATOM 1249 N ASP A 82 18.812 7.710 -15.443 1.00 0.00 N ATOM 1250 CA ASP A 82 19.530 7.329 -14.238 1.00 0.00 C ATOM 1251 C ASP A 82 18.715 7.742 -13.012 1.00 0.00 C ATOM 1252 O ASP A 82 18.633 6.998 -12.036 1.00 0.00 O ATOM 1253 CB ASP A 82 20.888 8.030 -14.161 1.00 0.00 C ATOM 1254 CG ASP A 82 22.055 7.133 -13.743 1.00 0.00 C ATOM 1255 OD1 ASP A 82 22.646 6.511 -14.652 1.00 0.00 O ATOM 1256 OD2 ASP A 82 22.330 7.091 -12.524 1.00 0.00 O ATOM 0 H ASP A 82 19.149 8.563 -15.888 1.00 0.00 H new ATOM 0 HA ASP A 82 19.682 6.250 -14.263 1.00 0.00 H new ATOM 0 HB2 ASP A 82 21.113 8.463 -15.136 1.00 0.00 H new ATOM 0 HB3 ASP A 82 20.814 8.857 -13.455 1.00 0.00 H new ATOM 1261 N ASP A 83 18.132 8.929 -13.101 1.00 0.00 N ATOM 1262 CA ASP A 83 17.326 9.450 -12.010 1.00 0.00 C ATOM 1263 C ASP A 83 16.010 8.673 -11.937 1.00 0.00 C ATOM 1264 O ASP A 83 15.458 8.480 -10.855 1.00 0.00 O ATOM 1265 CB ASP A 83 16.990 10.927 -12.229 1.00 0.00 C ATOM 1266 CG ASP A 83 18.045 11.913 -11.723 1.00 0.00 C ATOM 1267 OD1 ASP A 83 19.184 11.836 -12.234 1.00 0.00 O ATOM 1268 OD2 ASP A 83 17.689 12.720 -10.839 1.00 0.00 O ATOM 0 H ASP A 83 18.202 9.544 -13.912 1.00 0.00 H new ATOM 0 HA ASP A 83 17.898 9.343 -11.088 1.00 0.00 H new ATOM 0 HB2 ASP A 83 16.839 11.095 -13.295 1.00 0.00 H new ATOM 0 HB3 ASP A 83 16.043 11.146 -11.735 1.00 0.00 H new ATOM 1273 N ARG A 84 15.546 8.247 -13.103 1.00 0.00 N ATOM 1274 CA ARG A 84 14.305 7.494 -13.185 1.00 0.00 C ATOM 1275 C ARG A 84 14.434 6.175 -12.420 1.00 0.00 C ATOM 1276 O ARG A 84 13.466 5.700 -11.828 1.00 0.00 O ATOM 1277 CB ARG A 84 13.935 7.199 -14.639 1.00 0.00 C ATOM 1278 CG ARG A 84 13.183 5.872 -14.755 1.00 0.00 C ATOM 1279 CD ARG A 84 14.151 4.711 -14.995 1.00 0.00 C ATOM 1280 NE ARG A 84 13.477 3.640 -15.762 1.00 0.00 N ATOM 1281 CZ ARG A 84 14.121 2.661 -16.411 1.00 0.00 C ATOM 1282 NH1 ARG A 84 15.460 2.613 -16.391 1.00 0.00 N ATOM 1283 NH2 ARG A 84 13.426 1.731 -17.081 1.00 0.00 N ATOM 0 H ARG A 84 16.007 8.409 -13.999 1.00 0.00 H new ATOM 0 HA ARG A 84 13.518 8.101 -12.739 1.00 0.00 H new ATOM 0 HB2 ARG A 84 13.317 8.007 -15.032 1.00 0.00 H new ATOM 0 HB3 ARG A 84 14.838 7.164 -15.248 1.00 0.00 H new ATOM 0 HG2 ARG A 84 12.613 5.692 -13.843 1.00 0.00 H new ATOM 0 HG3 ARG A 84 12.466 5.927 -15.574 1.00 0.00 H new ATOM 0 HD2 ARG A 84 15.027 5.064 -15.540 1.00 0.00 H new ATOM 0 HD3 ARG A 84 14.505 4.319 -14.042 1.00 0.00 H new ATOM 0 HE ARG A 84 12.458 3.648 -15.799 1.00 0.00 H new ATOM 0 HH11 ARG A 84 15.988 3.322 -15.882 1.00 0.00 H new ATOM 0 HH12 ARG A 84 15.951 1.868 -16.885 1.00 0.00 H new ATOM 0 HH21 ARG A 84 12.407 1.769 -17.097 1.00 0.00 H new ATOM 0 HH22 ARG A 84 13.916 0.986 -17.575 1.00 0.00 H new ATOM 1297 N SER A 85 15.636 5.620 -12.459 1.00 0.00 N ATOM 1298 CA SER A 85 15.904 4.365 -11.777 1.00 0.00 C ATOM 1299 C SER A 85 16.360 4.636 -10.342 1.00 0.00 C ATOM 1300 O SER A 85 16.367 3.731 -9.509 1.00 0.00 O ATOM 1301 CB SER A 85 16.959 3.546 -12.524 1.00 0.00 C ATOM 1302 OG SER A 85 17.338 2.379 -11.801 1.00 0.00 O ATOM 0 H SER A 85 16.436 6.016 -12.952 1.00 0.00 H new ATOM 0 HA SER A 85 14.982 3.784 -11.755 1.00 0.00 H new ATOM 0 HB2 SER A 85 16.570 3.257 -13.500 1.00 0.00 H new ATOM 0 HB3 SER A 85 17.839 4.164 -12.702 1.00 0.00 H new ATOM 0 HG SER A 85 16.999 2.438 -10.883 1.00 0.00 H new ATOM 1308 N LYS A 86 16.730 5.884 -10.098 1.00 0.00 N ATOM 1309 CA LYS A 86 17.186 6.285 -8.778 1.00 0.00 C ATOM 1310 C LYS A 86 16.011 6.233 -7.800 1.00 0.00 C ATOM 1311 O LYS A 86 16.187 5.889 -6.631 1.00 0.00 O ATOM 1312 CB LYS A 86 17.874 7.650 -8.840 1.00 0.00 C ATOM 1313 CG LYS A 86 19.315 7.516 -9.339 1.00 0.00 C ATOM 1314 CD LYS A 86 20.312 7.850 -8.227 1.00 0.00 C ATOM 1315 CE LYS A 86 21.720 8.041 -8.794 1.00 0.00 C ATOM 1316 NZ LYS A 86 22.420 9.136 -8.085 1.00 0.00 N ATOM 0 H LYS A 86 16.723 6.631 -10.792 1.00 0.00 H new ATOM 0 HA LYS A 86 17.940 5.590 -8.409 1.00 0.00 H new ATOM 0 HB2 LYS A 86 17.316 8.313 -9.502 1.00 0.00 H new ATOM 0 HB3 LYS A 86 17.869 8.109 -7.851 1.00 0.00 H new ATOM 0 HG2 LYS A 86 19.488 6.500 -9.695 1.00 0.00 H new ATOM 0 HG3 LYS A 86 19.474 8.182 -10.187 1.00 0.00 H new ATOM 0 HD2 LYS A 86 19.997 8.757 -7.712 1.00 0.00 H new ATOM 0 HD3 LYS A 86 20.319 7.049 -7.487 1.00 0.00 H new ATOM 0 HE2 LYS A 86 22.287 7.115 -8.696 1.00 0.00 H new ATOM 0 HE3 LYS A 86 21.662 8.268 -9.859 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 23.374 9.252 -8.482 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 21.886 10.021 -8.201 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 22.492 8.905 -7.074 1.00 0.00 H new ATOM 1330 N ILE A 87 14.840 6.579 -8.312 1.00 0.00 N ATOM 1331 CA ILE A 87 13.636 6.576 -7.497 1.00 0.00 C ATOM 1332 C ILE A 87 13.228 5.131 -7.204 1.00 0.00 C ATOM 1333 O ILE A 87 12.336 4.887 -6.393 1.00 0.00 O ATOM 1334 CB ILE A 87 12.536 7.402 -8.165 1.00 0.00 C ATOM 1335 CG1 ILE A 87 12.742 8.897 -7.912 1.00 0.00 C ATOM 1336 CG2 ILE A 87 11.150 6.932 -7.719 1.00 0.00 C ATOM 1337 CD1 ILE A 87 11.877 9.738 -8.854 1.00 0.00 C ATOM 0 H ILE A 87 14.698 6.864 -9.281 1.00 0.00 H new ATOM 0 HA ILE A 87 13.824 7.056 -6.536 1.00 0.00 H new ATOM 0 HB ILE A 87 12.599 7.246 -9.242 1.00 0.00 H new ATOM 0 HG12 ILE A 87 12.493 9.132 -6.877 1.00 0.00 H new ATOM 0 HG13 ILE A 87 13.792 9.152 -8.053 1.00 0.00 H new ATOM 0 HG21 ILE A 87 10.386 7.536 -8.209 1.00 0.00 H new ATOM 0 HG22 ILE A 87 11.015 5.885 -7.992 1.00 0.00 H new ATOM 0 HG23 ILE A 87 11.060 7.039 -6.638 1.00 0.00 H new ATOM 0 HD11 ILE A 87 12.043 10.796 -8.653 1.00 0.00 H new ATOM 0 HD12 ILE A 87 12.145 9.519 -9.887 1.00 0.00 H new ATOM 0 HD13 ILE A 87 10.826 9.499 -8.694 1.00 0.00 H new ATOM 1349 N ALA A 88 13.901 4.211 -7.878 1.00 0.00 N ATOM 1350 CA ALA A 88 13.621 2.796 -7.700 1.00 0.00 C ATOM 1351 C ALA A 88 13.464 2.496 -6.207 1.00 0.00 C ATOM 1352 O ALA A 88 14.450 2.260 -5.512 1.00 0.00 O ATOM 1353 CB ALA A 88 14.732 1.969 -8.347 1.00 0.00 C ATOM 0 H ALA A 88 14.641 4.418 -8.549 1.00 0.00 H new ATOM 0 HA ALA A 88 12.686 2.525 -8.191 1.00 0.00 H new ATOM 0 HB1 ALA A 88 14.521 0.908 -8.213 1.00 0.00 H new ATOM 0 HB2 ALA A 88 14.782 2.197 -9.412 1.00 0.00 H new ATOM 0 HB3 ALA A 88 15.686 2.211 -7.878 1.00 0.00 H new