USER MOD reduce.3.24.130724 H: found=0, std=0, add=604, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 606 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 16 TYR OH : rot 1:sc= 1.26 USER MOD Set 1.2: A 80 THR OG1 : rot 43:sc= 2.06 USER MOD Single : A 9 MET CE :methyl 155:sc= -2.18! (180deg=-4.42!) USER MOD Single : A 20 ASN : amide:sc= -0.312 K(o=-0.31,f=-3.1!) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 CYS SG : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ 148:sc= 0 (180deg=-1.03) USER MOD Single : A 36 GLN : amide:sc= -0.0861 X(o=-0.086,f=0) USER MOD Single : A 40 ASN : amide:sc= 0 K(o=0,f=-0.96) USER MOD Single : A 43 GLN :FLIP amide:sc= -0.561 F(o=-2.6,f=-0.56) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ -140:sc= -0.0994 (180deg=-1.97!) USER MOD Single : A 49 MET CE :methyl -135:sc= -1.22 (180deg=-6.5!) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 63 THR OG1 : rot 82:sc= 0.374 USER MOD Single : A 66 LYS NZ :NH3+ -151:sc= 0 (180deg=-0.907) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 69 HIS : no HD1:sc= -3.94! C(o=-3.9!,f=-5.1!) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 ASN : amide:sc= 0 K(o=0,f=-0.86) USER MOD Single : A 74 ASN : amide:sc= -5.75 K(o=-5.8,f=-11!) USER MOD Single : A 75 SER OG : rot 45:sc= 0.719 USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 66 N ARG A 8 7.135 -4.825 17.542 1.00 0.00 N ATOM 67 CA ARG A 8 8.225 -4.704 16.581 1.00 0.00 C ATOM 68 C ARG A 8 7.750 -4.016 15.304 1.00 0.00 C ATOM 69 O ARG A 8 6.651 -4.282 14.817 1.00 0.00 O ATOM 70 CB ARG A 8 8.795 -6.084 16.247 1.00 0.00 C ATOM 71 CG ARG A 8 7.897 -6.911 15.341 1.00 0.00 C ATOM 72 CD ARG A 8 8.635 -8.114 14.775 1.00 0.00 C ATOM 73 NE ARG A 8 7.733 -9.230 14.503 1.00 0.00 N ATOM 74 CZ ARG A 8 7.275 -10.051 15.442 1.00 0.00 C ATOM 75 NH1 ARG A 8 7.632 -9.880 16.707 1.00 0.00 N ATOM 76 NH2 ARG A 8 6.457 -11.044 15.116 1.00 0.00 N ATOM 0 HA ARG A 8 9.008 -4.095 17.033 1.00 0.00 H new ATOM 0 HB2 ARG A 8 9.766 -5.960 15.767 1.00 0.00 H new ATOM 0 HB3 ARG A 8 8.965 -6.632 17.174 1.00 0.00 H new ATOM 0 HG2 ARG A 8 7.025 -7.248 15.901 1.00 0.00 H new ATOM 0 HG3 ARG A 8 7.531 -6.290 14.524 1.00 0.00 H new ATOM 0 HD2 ARG A 8 9.145 -7.827 13.855 1.00 0.00 H new ATOM 0 HD3 ARG A 8 9.404 -8.432 15.479 1.00 0.00 H new ATOM 0 HE ARG A 8 7.438 -9.388 13.539 1.00 0.00 H new ATOM 0 HH11 ARG A 8 8.259 -9.117 16.961 1.00 0.00 H new ATOM 0 HH12 ARG A 8 7.279 -10.511 17.426 1.00 0.00 H new ATOM 0 HH21 ARG A 8 6.179 -11.178 14.144 1.00 0.00 H new ATOM 0 HH22 ARG A 8 6.106 -11.674 15.838 1.00 0.00 H new ATOM 90 N MET A 9 8.584 -3.131 14.770 1.00 0.00 N ATOM 91 CA MET A 9 8.249 -2.405 13.550 1.00 0.00 C ATOM 92 C MET A 9 8.395 -3.303 12.325 1.00 0.00 C ATOM 93 O MET A 9 9.350 -4.074 12.219 1.00 0.00 O ATOM 94 CB MET A 9 9.144 -1.173 13.402 1.00 0.00 C ATOM 95 CG MET A 9 9.050 -0.210 14.575 1.00 0.00 C ATOM 96 SD MET A 9 7.718 0.990 14.384 1.00 0.00 S ATOM 97 CE MET A 9 6.282 -0.068 14.547 1.00 0.00 C ATOM 0 H MET A 9 9.497 -2.899 15.162 1.00 0.00 H new ATOM 0 HA MET A 9 7.210 -2.084 13.622 1.00 0.00 H new ATOM 0 HB2 MET A 9 10.179 -1.497 13.290 1.00 0.00 H new ATOM 0 HB3 MET A 9 8.874 -0.646 12.487 1.00 0.00 H new ATOM 0 HG2 MET A 9 8.895 -0.776 15.493 1.00 0.00 H new ATOM 0 HG3 MET A 9 9.997 0.319 14.683 1.00 0.00 H new ATOM 0 HE1 MET A 9 5.433 0.522 14.892 1.00 0.00 H new ATOM 0 HE2 MET A 9 6.046 -0.513 13.580 1.00 0.00 H new ATOM 0 HE3 MET A 9 6.492 -0.858 15.268 1.00 0.00 H new ATOM 107 N LEU A 10 7.444 -3.200 11.404 1.00 0.00 N ATOM 108 CA LEU A 10 7.467 -4.003 10.187 1.00 0.00 C ATOM 109 C LEU A 10 7.709 -3.128 8.961 1.00 0.00 C ATOM 110 O LEU A 10 6.893 -2.269 8.629 1.00 0.00 O ATOM 111 CB LEU A 10 6.150 -4.766 10.031 1.00 0.00 C ATOM 112 CG LEU A 10 5.905 -5.893 11.034 1.00 0.00 C ATOM 113 CD1 LEU A 10 4.516 -6.483 10.845 1.00 0.00 C ATOM 114 CD2 LEU A 10 6.968 -6.973 10.893 1.00 0.00 C ATOM 0 H LEU A 10 6.647 -2.568 11.477 1.00 0.00 H new ATOM 0 HA LEU A 10 8.287 -4.717 10.268 1.00 0.00 H new ATOM 0 HB2 LEU A 10 5.329 -4.053 10.108 1.00 0.00 H new ATOM 0 HB3 LEU A 10 6.114 -5.187 9.026 1.00 0.00 H new ATOM 0 HG LEU A 10 5.968 -5.478 12.040 1.00 0.00 H new ATOM 0 HD11 LEU A 10 4.359 -7.284 11.568 1.00 0.00 H new ATOM 0 HD12 LEU A 10 3.767 -5.706 10.997 1.00 0.00 H new ATOM 0 HD13 LEU A 10 4.425 -6.883 9.835 1.00 0.00 H new ATOM 0 HD21 LEU A 10 6.778 -7.767 11.615 1.00 0.00 H new ATOM 0 HD22 LEU A 10 6.937 -7.384 9.884 1.00 0.00 H new ATOM 0 HD23 LEU A 10 7.952 -6.542 11.079 1.00 0.00 H new ATOM 126 N ASP A 11 8.835 -3.354 8.293 1.00 0.00 N ATOM 127 CA ASP A 11 9.183 -2.588 7.102 1.00 0.00 C ATOM 128 C ASP A 11 8.477 -3.147 5.870 1.00 0.00 C ATOM 129 O ASP A 11 8.459 -4.358 5.649 1.00 0.00 O ATOM 130 CB ASP A 11 10.697 -2.600 6.886 1.00 0.00 C ATOM 131 CG ASP A 11 11.105 -1.910 5.599 1.00 0.00 C ATOM 132 OD1 ASP A 11 10.581 -2.290 4.531 1.00 0.00 O ATOM 133 OD2 ASP A 11 11.948 -0.991 5.660 1.00 0.00 O ATOM 0 H ASP A 11 9.522 -4.061 8.556 1.00 0.00 H new ATOM 0 HA ASP A 11 8.853 -1.560 7.253 1.00 0.00 H new ATOM 0 HB2 ASP A 11 11.185 -2.109 7.728 1.00 0.00 H new ATOM 0 HB3 ASP A 11 11.050 -3.631 6.870 1.00 0.00 H new ATOM 138 N PHE A 12 7.895 -2.258 5.073 1.00 0.00 N ATOM 139 CA PHE A 12 7.186 -2.662 3.865 1.00 0.00 C ATOM 140 C PHE A 12 7.606 -1.805 2.674 1.00 0.00 C ATOM 141 O PHE A 12 7.213 -0.644 2.562 1.00 0.00 O ATOM 142 CB PHE A 12 5.674 -2.556 4.076 1.00 0.00 C ATOM 143 CG PHE A 12 5.123 -3.605 4.999 1.00 0.00 C ATOM 144 CD1 PHE A 12 5.099 -3.397 6.369 1.00 0.00 C ATOM 145 CD2 PHE A 12 4.628 -4.797 4.497 1.00 0.00 C ATOM 146 CE1 PHE A 12 4.592 -4.361 7.220 1.00 0.00 C ATOM 147 CE2 PHE A 12 4.120 -5.765 5.343 1.00 0.00 C ATOM 148 CZ PHE A 12 4.101 -5.546 6.707 1.00 0.00 C ATOM 0 H PHE A 12 7.900 -1.252 5.242 1.00 0.00 H new ATOM 0 HA PHE A 12 7.445 -3.699 3.652 1.00 0.00 H new ATOM 0 HB2 PHE A 12 5.439 -1.570 4.478 1.00 0.00 H new ATOM 0 HB3 PHE A 12 5.174 -2.634 3.111 1.00 0.00 H new ATOM 0 HD1 PHE A 12 5.480 -2.472 6.776 1.00 0.00 H new ATOM 0 HD2 PHE A 12 4.639 -4.972 3.431 1.00 0.00 H new ATOM 0 HE1 PHE A 12 4.580 -4.188 8.286 1.00 0.00 H new ATOM 0 HE2 PHE A 12 3.739 -6.691 4.938 1.00 0.00 H new ATOM 0 HZ PHE A 12 3.703 -6.299 7.371 1.00 0.00 H new ATOM 158 N ARG A 13 8.408 -2.387 1.788 1.00 0.00 N ATOM 159 CA ARG A 13 8.884 -1.677 0.607 1.00 0.00 C ATOM 160 C ARG A 13 7.887 -1.802 -0.541 1.00 0.00 C ATOM 161 O ARG A 13 7.787 -2.850 -1.179 1.00 0.00 O ATOM 162 CB ARG A 13 10.247 -2.219 0.174 1.00 0.00 C ATOM 163 CG ARG A 13 10.886 -1.430 -0.957 1.00 0.00 C ATOM 164 CD ARG A 13 11.655 -0.227 -0.432 1.00 0.00 C ATOM 165 NE ARG A 13 12.906 -0.617 0.212 1.00 0.00 N ATOM 166 CZ ARG A 13 13.862 0.245 0.542 1.00 0.00 C ATOM 167 NH1 ARG A 13 13.709 1.538 0.291 1.00 0.00 N ATOM 168 NH2 ARG A 13 14.973 -0.186 1.125 1.00 0.00 N ATOM 0 H ARG A 13 8.742 -3.348 1.866 1.00 0.00 H new ATOM 0 HA ARG A 13 8.985 -0.623 0.865 1.00 0.00 H new ATOM 0 HB2 ARG A 13 10.919 -2.216 1.032 1.00 0.00 H new ATOM 0 HB3 ARG A 13 10.133 -3.257 -0.138 1.00 0.00 H new ATOM 0 HG2 ARG A 13 11.560 -2.077 -1.518 1.00 0.00 H new ATOM 0 HG3 ARG A 13 10.114 -1.096 -1.650 1.00 0.00 H new ATOM 0 HD2 ARG A 13 11.868 0.455 -1.255 1.00 0.00 H new ATOM 0 HD3 ARG A 13 11.035 0.317 0.280 1.00 0.00 H new ATOM 0 HE ARG A 13 13.054 -1.605 0.420 1.00 0.00 H new ATOM 0 HH11 ARG A 13 12.856 1.873 -0.156 1.00 0.00 H new ATOM 0 HH12 ARG A 13 14.444 2.197 0.545 1.00 0.00 H new ATOM 0 HH21 ARG A 13 15.094 -1.180 1.320 1.00 0.00 H new ATOM 0 HH22 ARG A 13 15.706 0.476 1.378 1.00 0.00 H new ATOM 182 N VAL A 14 7.149 -0.726 -0.797 1.00 0.00 N ATOM 183 CA VAL A 14 6.160 -0.715 -1.868 1.00 0.00 C ATOM 184 C VAL A 14 6.759 -0.182 -3.165 1.00 0.00 C ATOM 185 O VAL A 14 6.993 1.018 -3.303 1.00 0.00 O ATOM 186 CB VAL A 14 4.935 0.140 -1.492 1.00 0.00 C ATOM 187 CG1 VAL A 14 3.889 0.089 -2.595 1.00 0.00 C ATOM 188 CG2 VAL A 14 4.348 -0.325 -0.168 1.00 0.00 C ATOM 0 H VAL A 14 7.218 0.149 -0.277 1.00 0.00 H new ATOM 0 HA VAL A 14 5.842 -1.747 -2.015 1.00 0.00 H new ATOM 0 HB VAL A 14 5.257 1.175 -1.378 1.00 0.00 H new ATOM 0 HG11 VAL A 14 3.031 0.699 -2.311 1.00 0.00 H new ATOM 0 HG12 VAL A 14 4.317 0.473 -3.521 1.00 0.00 H new ATOM 0 HG13 VAL A 14 3.568 -0.942 -2.744 1.00 0.00 H new ATOM 0 HG21 VAL A 14 3.483 0.290 0.083 1.00 0.00 H new ATOM 0 HG22 VAL A 14 4.040 -1.367 -0.253 1.00 0.00 H new ATOM 0 HG23 VAL A 14 5.099 -0.231 0.616 1.00 0.00 H new ATOM 198 N GLU A 15 7.004 -1.082 -4.111 1.00 0.00 N ATOM 199 CA GLU A 15 7.577 -0.701 -5.397 1.00 0.00 C ATOM 200 C GLU A 15 6.492 -0.213 -6.353 1.00 0.00 C ATOM 201 O GLU A 15 5.706 -1.005 -6.873 1.00 0.00 O ATOM 202 CB GLU A 15 8.325 -1.883 -6.018 1.00 0.00 C ATOM 203 CG GLU A 15 9.180 -1.501 -7.214 1.00 0.00 C ATOM 204 CD GLU A 15 9.521 -2.690 -8.091 1.00 0.00 C ATOM 205 OE1 GLU A 15 8.759 -3.680 -8.072 1.00 0.00 O ATOM 206 OE2 GLU A 15 10.550 -2.631 -8.797 1.00 0.00 O ATOM 0 H GLU A 15 6.815 -2.079 -4.012 1.00 0.00 H new ATOM 0 HA GLU A 15 8.280 0.114 -5.225 1.00 0.00 H new ATOM 0 HB2 GLU A 15 8.960 -2.340 -5.259 1.00 0.00 H new ATOM 0 HB3 GLU A 15 7.602 -2.639 -6.325 1.00 0.00 H new ATOM 0 HG2 GLU A 15 8.653 -0.755 -7.809 1.00 0.00 H new ATOM 0 HG3 GLU A 15 10.102 -1.037 -6.863 1.00 0.00 H new ATOM 213 N TYR A 16 6.456 1.095 -6.579 1.00 0.00 N ATOM 214 CA TYR A 16 5.466 1.690 -7.469 1.00 0.00 C ATOM 215 C TYR A 16 6.142 2.426 -8.622 1.00 0.00 C ATOM 216 O TYR A 16 7.271 2.900 -8.493 1.00 0.00 O ATOM 217 CB TYR A 16 4.564 2.652 -6.694 1.00 0.00 C ATOM 218 CG TYR A 16 3.427 3.212 -7.518 1.00 0.00 C ATOM 219 CD1 TYR A 16 2.768 2.426 -8.455 1.00 0.00 C ATOM 220 CD2 TYR A 16 3.010 4.528 -7.357 1.00 0.00 C ATOM 221 CE1 TYR A 16 1.729 2.934 -9.210 1.00 0.00 C ATOM 222 CE2 TYR A 16 1.971 5.045 -8.107 1.00 0.00 C ATOM 223 CZ TYR A 16 1.334 4.244 -9.032 1.00 0.00 C ATOM 224 OH TYR A 16 0.298 4.754 -9.781 1.00 0.00 O ATOM 0 H TYR A 16 7.101 1.764 -6.158 1.00 0.00 H new ATOM 0 HA TYR A 16 4.857 0.886 -7.882 1.00 0.00 H new ATOM 0 HB2 TYR A 16 4.153 2.133 -5.828 1.00 0.00 H new ATOM 0 HB3 TYR A 16 5.167 3.477 -6.315 1.00 0.00 H new ATOM 0 HD1 TYR A 16 3.074 1.400 -8.596 1.00 0.00 H new ATOM 0 HD2 TYR A 16 3.507 5.157 -6.633 1.00 0.00 H new ATOM 0 HE1 TYR A 16 1.229 2.310 -9.935 1.00 0.00 H new ATOM 0 HE2 TYR A 16 1.660 6.070 -7.970 1.00 0.00 H new ATOM 0 HH TYR A 16 -0.052 4.056 -10.373 1.00 0.00 H new ATOM 234 N ARG A 17 5.443 2.518 -9.748 1.00 0.00 N ATOM 235 CA ARG A 17 5.975 3.196 -10.924 1.00 0.00 C ATOM 236 C ARG A 17 6.869 4.364 -10.521 1.00 0.00 C ATOM 237 O ARG A 17 8.084 4.325 -10.714 1.00 0.00 O ATOM 238 CB ARG A 17 4.833 3.696 -11.811 1.00 0.00 C ATOM 239 CG ARG A 17 3.931 2.586 -12.327 1.00 0.00 C ATOM 240 CD ARG A 17 2.579 3.126 -12.765 1.00 0.00 C ATOM 241 NE ARG A 17 1.967 2.295 -13.799 1.00 0.00 N ATOM 242 CZ ARG A 17 1.007 2.721 -14.612 1.00 0.00 C ATOM 243 NH1 ARG A 17 0.552 3.962 -14.512 1.00 0.00 N ATOM 244 NH2 ARG A 17 0.500 1.905 -15.527 1.00 0.00 N ATOM 0 H ARG A 17 4.507 2.132 -9.871 1.00 0.00 H new ATOM 0 HA ARG A 17 6.575 2.479 -11.485 1.00 0.00 H new ATOM 0 HB2 ARG A 17 4.231 4.409 -11.247 1.00 0.00 H new ATOM 0 HB3 ARG A 17 5.253 4.235 -12.660 1.00 0.00 H new ATOM 0 HG2 ARG A 17 4.413 2.084 -13.166 1.00 0.00 H new ATOM 0 HG3 ARG A 17 3.790 1.838 -11.547 1.00 0.00 H new ATOM 0 HD2 ARG A 17 1.914 3.181 -11.903 1.00 0.00 H new ATOM 0 HD3 ARG A 17 2.699 4.142 -13.140 1.00 0.00 H new ATOM 0 HE ARG A 17 2.295 1.335 -13.902 1.00 0.00 H new ATOM 0 HH11 ARG A 17 0.939 4.592 -13.810 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -0.185 4.287 -15.138 1.00 0.00 H new ATOM 0 HH21 ARG A 17 0.847 0.949 -15.607 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -0.237 2.233 -16.151 1.00 0.00 H new ATOM 258 N ASP A 18 6.259 5.403 -9.960 1.00 0.00 N ATOM 259 CA ASP A 18 7.000 6.583 -9.529 1.00 0.00 C ATOM 260 C ASP A 18 8.303 6.186 -8.842 1.00 0.00 C ATOM 261 O ASP A 18 9.388 6.572 -9.276 1.00 0.00 O ATOM 262 CB ASP A 18 6.147 7.429 -8.582 1.00 0.00 C ATOM 263 CG ASP A 18 5.612 6.627 -7.412 1.00 0.00 C ATOM 264 OD1 ASP A 18 5.495 5.390 -7.544 1.00 0.00 O ATOM 265 OD2 ASP A 18 5.312 7.235 -6.364 1.00 0.00 O ATOM 0 H ASP A 18 5.254 5.452 -9.793 1.00 0.00 H new ATOM 0 HA ASP A 18 7.242 7.173 -10.413 1.00 0.00 H new ATOM 0 HB2 ASP A 18 6.743 8.261 -8.206 1.00 0.00 H new ATOM 0 HB3 ASP A 18 5.312 7.859 -9.136 1.00 0.00 H new ATOM 270 N ARG A 19 8.187 5.413 -7.767 1.00 0.00 N ATOM 271 CA ARG A 19 9.355 4.965 -7.018 1.00 0.00 C ATOM 272 C ARG A 19 8.954 3.986 -5.919 1.00 0.00 C ATOM 273 O ARG A 19 7.786 3.622 -5.794 1.00 0.00 O ATOM 274 CB ARG A 19 10.086 6.163 -6.408 1.00 0.00 C ATOM 275 CG ARG A 19 9.246 6.947 -5.413 1.00 0.00 C ATOM 276 CD ARG A 19 10.111 7.601 -4.348 1.00 0.00 C ATOM 277 NE ARG A 19 9.521 8.841 -3.850 1.00 0.00 N ATOM 278 CZ ARG A 19 9.450 9.959 -4.563 1.00 0.00 C ATOM 279 NH1 ARG A 19 9.928 9.992 -5.800 1.00 0.00 N ATOM 280 NH2 ARG A 19 8.898 11.047 -4.041 1.00 0.00 N ATOM 0 H ARG A 19 7.296 5.084 -7.395 1.00 0.00 H new ATOM 0 HA ARG A 19 10.024 4.453 -7.709 1.00 0.00 H new ATOM 0 HB2 ARG A 19 10.990 5.811 -5.910 1.00 0.00 H new ATOM 0 HB3 ARG A 19 10.403 6.831 -7.209 1.00 0.00 H new ATOM 0 HG2 ARG A 19 8.675 7.712 -5.940 1.00 0.00 H new ATOM 0 HG3 ARG A 19 8.525 6.281 -4.939 1.00 0.00 H new ATOM 0 HD2 ARG A 19 10.251 6.908 -3.519 1.00 0.00 H new ATOM 0 HD3 ARG A 19 11.098 7.809 -4.760 1.00 0.00 H new ATOM 0 HE ARG A 19 9.143 8.849 -2.903 1.00 0.00 H new ATOM 0 HH11 ARG A 19 10.351 9.157 -6.206 1.00 0.00 H new ATOM 0 HH12 ARG A 19 9.872 10.852 -6.346 1.00 0.00 H new ATOM 0 HH21 ARG A 19 8.528 11.025 -3.091 1.00 0.00 H new ATOM 0 HH22 ARG A 19 8.844 11.905 -4.590 1.00 0.00 H new ATOM 294 N ASN A 20 9.932 3.564 -5.124 1.00 0.00 N ATOM 295 CA ASN A 20 9.681 2.627 -4.035 1.00 0.00 C ATOM 296 C ASN A 20 9.741 3.333 -2.684 1.00 0.00 C ATOM 297 O ASN A 20 10.784 3.855 -2.290 1.00 0.00 O ATOM 298 CB ASN A 20 10.700 1.486 -4.072 1.00 0.00 C ATOM 299 CG ASN A 20 12.070 1.948 -4.530 1.00 0.00 C ATOM 300 OD1 ASN A 20 12.233 2.427 -5.652 1.00 0.00 O ATOM 301 ND2 ASN A 20 13.063 1.807 -3.659 1.00 0.00 N ATOM 0 H ASN A 20 10.905 3.856 -5.213 1.00 0.00 H new ATOM 0 HA ASN A 20 8.680 2.217 -4.166 1.00 0.00 H new ATOM 0 HB2 ASN A 20 10.782 1.044 -3.079 1.00 0.00 H new ATOM 0 HB3 ASN A 20 10.341 0.704 -4.741 1.00 0.00 H new ATOM 0 HD21 ASN A 20 14.007 2.101 -3.910 1.00 0.00 H new ATOM 0 HD22 ASN A 20 12.882 1.405 -2.739 1.00 0.00 H new ATOM 308 N VAL A 21 8.614 3.346 -1.979 1.00 0.00 N ATOM 309 CA VAL A 21 8.538 3.986 -0.672 1.00 0.00 C ATOM 310 C VAL A 21 8.589 2.954 0.450 1.00 0.00 C ATOM 311 O VAL A 21 8.243 1.789 0.251 1.00 0.00 O ATOM 312 CB VAL A 21 7.250 4.820 -0.529 1.00 0.00 C ATOM 313 CG1 VAL A 21 6.030 3.913 -0.482 1.00 0.00 C ATOM 314 CG2 VAL A 21 7.320 5.699 0.710 1.00 0.00 C ATOM 0 H VAL A 21 7.741 2.920 -2.292 1.00 0.00 H new ATOM 0 HA VAL A 21 9.401 4.647 -0.593 1.00 0.00 H new ATOM 0 HB VAL A 21 7.158 5.468 -1.401 1.00 0.00 H new ATOM 0 HG11 VAL A 21 5.130 4.519 -0.381 1.00 0.00 H new ATOM 0 HG12 VAL A 21 5.974 3.331 -1.402 1.00 0.00 H new ATOM 0 HG13 VAL A 21 6.111 3.238 0.370 1.00 0.00 H new ATOM 0 HG21 VAL A 21 6.402 6.281 0.795 1.00 0.00 H new ATOM 0 HG22 VAL A 21 7.436 5.073 1.594 1.00 0.00 H new ATOM 0 HG23 VAL A 21 8.172 6.374 0.629 1.00 0.00 H new ATOM 324 N ASP A 22 9.021 3.390 1.628 1.00 0.00 N ATOM 325 CA ASP A 22 9.116 2.505 2.783 1.00 0.00 C ATOM 326 C ASP A 22 8.040 2.836 3.812 1.00 0.00 C ATOM 327 O ASP A 22 7.830 4.000 4.153 1.00 0.00 O ATOM 328 CB ASP A 22 10.501 2.612 3.422 1.00 0.00 C ATOM 329 CG ASP A 22 10.516 2.121 4.856 1.00 0.00 C ATOM 330 OD1 ASP A 22 9.852 1.103 5.142 1.00 0.00 O ATOM 331 OD2 ASP A 22 11.193 2.755 5.693 1.00 0.00 O ATOM 0 H ASP A 22 9.311 4.351 1.808 1.00 0.00 H new ATOM 0 HA ASP A 22 8.961 1.482 2.439 1.00 0.00 H new ATOM 0 HB2 ASP A 22 11.214 2.033 2.835 1.00 0.00 H new ATOM 0 HB3 ASP A 22 10.832 3.650 3.393 1.00 0.00 H new ATOM 336 N VAL A 23 7.359 1.805 4.302 1.00 0.00 N ATOM 337 CA VAL A 23 6.304 1.987 5.292 1.00 0.00 C ATOM 338 C VAL A 23 6.608 1.208 6.567 1.00 0.00 C ATOM 339 O VAL A 23 7.103 0.082 6.517 1.00 0.00 O ATOM 340 CB VAL A 23 4.937 1.539 4.743 1.00 0.00 C ATOM 341 CG1 VAL A 23 3.869 1.639 5.823 1.00 0.00 C ATOM 342 CG2 VAL A 23 4.554 2.368 3.526 1.00 0.00 C ATOM 0 H VAL A 23 7.519 0.835 4.030 1.00 0.00 H new ATOM 0 HA VAL A 23 6.264 3.052 5.521 1.00 0.00 H new ATOM 0 HB VAL A 23 5.013 0.496 4.435 1.00 0.00 H new ATOM 0 HG11 VAL A 23 2.910 1.318 5.417 1.00 0.00 H new ATOM 0 HG12 VAL A 23 4.140 0.999 6.663 1.00 0.00 H new ATOM 0 HG13 VAL A 23 3.792 2.671 6.164 1.00 0.00 H new ATOM 0 HG21 VAL A 23 3.585 2.038 3.151 1.00 0.00 H new ATOM 0 HG22 VAL A 23 4.495 3.420 3.806 1.00 0.00 H new ATOM 0 HG23 VAL A 23 5.307 2.241 2.748 1.00 0.00 H new ATOM 352 N VAL A 24 6.307 1.816 7.711 1.00 0.00 N ATOM 353 CA VAL A 24 6.545 1.179 9.000 1.00 0.00 C ATOM 354 C VAL A 24 5.285 1.186 9.858 1.00 0.00 C ATOM 355 O VAL A 24 4.768 2.246 10.213 1.00 0.00 O ATOM 356 CB VAL A 24 7.681 1.879 9.770 1.00 0.00 C ATOM 357 CG1 VAL A 24 7.621 1.525 11.249 1.00 0.00 C ATOM 358 CG2 VAL A 24 9.033 1.507 9.179 1.00 0.00 C ATOM 0 H VAL A 24 5.898 2.749 7.770 1.00 0.00 H new ATOM 0 HA VAL A 24 6.835 0.149 8.795 1.00 0.00 H new ATOM 0 HB VAL A 24 7.552 2.957 9.673 1.00 0.00 H new ATOM 0 HG11 VAL A 24 8.431 2.028 11.777 1.00 0.00 H new ATOM 0 HG12 VAL A 24 6.664 1.846 11.661 1.00 0.00 H new ATOM 0 HG13 VAL A 24 7.725 0.447 11.370 1.00 0.00 H new ATOM 0 HG21 VAL A 24 9.824 2.010 9.735 1.00 0.00 H new ATOM 0 HG22 VAL A 24 9.174 0.428 9.244 1.00 0.00 H new ATOM 0 HG23 VAL A 24 9.071 1.816 8.134 1.00 0.00 H new ATOM 368 N LEU A 25 4.795 -0.003 10.190 1.00 0.00 N ATOM 369 CA LEU A 25 3.594 -0.135 11.008 1.00 0.00 C ATOM 370 C LEU A 25 3.658 -1.392 11.870 1.00 0.00 C ATOM 371 O LEU A 25 4.090 -2.449 11.412 1.00 0.00 O ATOM 372 CB LEU A 25 2.350 -0.176 10.119 1.00 0.00 C ATOM 373 CG LEU A 25 2.099 -1.488 9.374 1.00 0.00 C ATOM 374 CD1 LEU A 25 0.757 -1.448 8.661 1.00 0.00 C ATOM 375 CD2 LEU A 25 3.223 -1.763 8.386 1.00 0.00 C ATOM 0 H LEU A 25 5.211 -0.890 9.905 1.00 0.00 H new ATOM 0 HA LEU A 25 3.535 0.732 11.666 1.00 0.00 H new ATOM 0 HB2 LEU A 25 1.479 0.039 10.738 1.00 0.00 H new ATOM 0 HB3 LEU A 25 2.426 0.626 9.385 1.00 0.00 H new ATOM 0 HG LEU A 25 2.076 -2.299 10.102 1.00 0.00 H new ATOM 0 HD11 LEU A 25 0.595 -2.390 8.136 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -0.039 -1.298 9.391 1.00 0.00 H new ATOM 0 HD13 LEU A 25 0.750 -0.627 7.944 1.00 0.00 H new ATOM 0 HD21 LEU A 25 3.028 -2.700 7.865 1.00 0.00 H new ATOM 0 HD22 LEU A 25 3.278 -0.950 7.662 1.00 0.00 H new ATOM 0 HD23 LEU A 25 4.169 -1.836 8.922 1.00 0.00 H new ATOM 387 N GLU A 26 3.223 -1.268 13.120 1.00 0.00 N ATOM 388 CA GLU A 26 3.230 -2.395 14.046 1.00 0.00 C ATOM 389 C GLU A 26 2.472 -3.584 13.462 1.00 0.00 C ATOM 390 O GLU A 26 1.628 -3.423 12.581 1.00 0.00 O ATOM 391 CB GLU A 26 2.610 -1.988 15.384 1.00 0.00 C ATOM 392 CG GLU A 26 2.944 -2.937 16.523 1.00 0.00 C ATOM 393 CD GLU A 26 2.723 -2.312 17.887 1.00 0.00 C ATOM 394 OE1 GLU A 26 3.239 -1.199 18.119 1.00 0.00 O ATOM 395 OE2 GLU A 26 2.035 -2.936 18.722 1.00 0.00 O ATOM 0 H GLU A 26 2.862 -0.400 13.515 1.00 0.00 H new ATOM 0 HA GLU A 26 4.266 -2.692 14.209 1.00 0.00 H new ATOM 0 HB2 GLU A 26 2.953 -0.987 15.644 1.00 0.00 H new ATOM 0 HB3 GLU A 26 1.527 -1.935 15.272 1.00 0.00 H new ATOM 0 HG2 GLU A 26 2.331 -3.834 16.435 1.00 0.00 H new ATOM 0 HG3 GLU A 26 3.984 -3.252 16.436 1.00 0.00 H new ATOM 402 N ASP A 27 2.781 -4.776 13.958 1.00 0.00 N ATOM 403 CA ASP A 27 2.130 -5.993 13.487 1.00 0.00 C ATOM 404 C ASP A 27 0.686 -6.059 13.973 1.00 0.00 C ATOM 405 O ASP A 27 -0.044 -7.001 13.661 1.00 0.00 O ATOM 406 CB ASP A 27 2.899 -7.226 13.963 1.00 0.00 C ATOM 407 CG ASP A 27 2.843 -7.398 15.468 1.00 0.00 C ATOM 408 OD1 ASP A 27 3.725 -6.849 16.161 1.00 0.00 O ATOM 409 OD2 ASP A 27 1.916 -8.080 15.953 1.00 0.00 O ATOM 0 H ASP A 27 3.479 -4.926 14.687 1.00 0.00 H new ATOM 0 HA ASP A 27 2.127 -5.976 12.397 1.00 0.00 H new ATOM 0 HB2 ASP A 27 2.488 -8.114 13.483 1.00 0.00 H new ATOM 0 HB3 ASP A 27 3.939 -7.146 13.648 1.00 0.00 H new ATOM 414 N THR A 28 0.278 -5.054 14.741 1.00 0.00 N ATOM 415 CA THR A 28 -1.078 -4.999 15.273 1.00 0.00 C ATOM 416 C THR A 28 -2.034 -4.355 14.276 1.00 0.00 C ATOM 417 O THR A 28 -3.252 -4.495 14.390 1.00 0.00 O ATOM 418 CB THR A 28 -1.130 -4.214 16.597 1.00 0.00 C ATOM 419 OG1 THR A 28 -0.749 -2.851 16.375 1.00 0.00 O ATOM 420 CG2 THR A 28 -0.210 -4.840 17.635 1.00 0.00 C ATOM 0 H THR A 28 0.868 -4.266 15.009 1.00 0.00 H new ATOM 0 HA THR A 28 -1.388 -6.028 15.456 1.00 0.00 H new ATOM 0 HB THR A 28 -2.153 -4.248 16.973 1.00 0.00 H new ATOM 0 HG1 THR A 28 -0.787 -2.359 17.222 1.00 0.00 H new ATOM 0 HG21 THR A 28 -0.264 -4.268 18.561 1.00 0.00 H new ATOM 0 HG22 THR A 28 -0.521 -5.867 17.824 1.00 0.00 H new ATOM 0 HG23 THR A 28 0.815 -4.834 17.264 1.00 0.00 H new ATOM 428 N CYS A 29 -1.475 -3.650 13.298 1.00 0.00 N ATOM 429 CA CYS A 29 -2.280 -2.984 12.280 1.00 0.00 C ATOM 430 C CYS A 29 -2.835 -3.993 11.280 1.00 0.00 C ATOM 431 O CYS A 29 -2.260 -5.063 11.076 1.00 0.00 O ATOM 432 CB CYS A 29 -1.445 -1.931 11.549 1.00 0.00 C ATOM 433 SG CYS A 29 -1.336 -0.346 12.414 1.00 0.00 S ATOM 0 H CYS A 29 -0.469 -3.525 13.189 1.00 0.00 H new ATOM 0 HA CYS A 29 -3.117 -2.494 12.777 1.00 0.00 H new ATOM 0 HB2 CYS A 29 -0.438 -2.321 11.399 1.00 0.00 H new ATOM 0 HB3 CYS A 29 -1.873 -1.765 10.561 1.00 0.00 H new ATOM 0 HG CYS A 29 -0.608 0.478 11.720 1.00 0.00 H new ATOM 439 N THR A 30 -3.958 -3.646 10.659 1.00 0.00 N ATOM 440 CA THR A 30 -4.594 -4.522 9.683 1.00 0.00 C ATOM 441 C THR A 30 -3.949 -4.374 8.309 1.00 0.00 C ATOM 442 O THR A 30 -3.498 -3.291 7.938 1.00 0.00 O ATOM 443 CB THR A 30 -6.101 -4.230 9.563 1.00 0.00 C ATOM 444 OG1 THR A 30 -6.663 -4.012 10.863 1.00 0.00 O ATOM 445 CG2 THR A 30 -6.823 -5.382 8.881 1.00 0.00 C ATOM 0 H THR A 30 -4.446 -2.764 10.815 1.00 0.00 H new ATOM 0 HA THR A 30 -4.457 -5.543 10.039 1.00 0.00 H new ATOM 0 HB THR A 30 -6.227 -3.333 8.957 1.00 0.00 H new ATOM 0 HG1 THR A 30 -7.621 -3.825 10.778 1.00 0.00 H new ATOM 0 HG21 THR A 30 -7.886 -5.153 8.808 1.00 0.00 H new ATOM 0 HG22 THR A 30 -6.413 -5.527 7.881 1.00 0.00 H new ATOM 0 HG23 THR A 30 -6.688 -6.293 9.465 1.00 0.00 H new ATOM 453 N VAL A 31 -3.908 -5.471 7.559 1.00 0.00 N ATOM 454 CA VAL A 31 -3.320 -5.462 6.225 1.00 0.00 C ATOM 455 C VAL A 31 -3.856 -4.301 5.395 1.00 0.00 C ATOM 456 O VAL A 31 -3.176 -3.797 4.502 1.00 0.00 O ATOM 457 CB VAL A 31 -3.597 -6.782 5.481 1.00 0.00 C ATOM 458 CG1 VAL A 31 -2.758 -7.910 6.062 1.00 0.00 C ATOM 459 CG2 VAL A 31 -5.078 -7.125 5.538 1.00 0.00 C ATOM 0 H VAL A 31 -4.275 -6.376 7.853 1.00 0.00 H new ATOM 0 HA VAL A 31 -2.244 -5.345 6.354 1.00 0.00 H new ATOM 0 HB VAL A 31 -3.316 -6.654 4.435 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -2.968 -8.834 5.523 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -1.701 -7.665 5.964 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -3.004 -8.041 7.116 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -5.256 -8.060 5.007 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -5.387 -7.233 6.578 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -5.655 -6.327 5.070 1.00 0.00 H new ATOM 469 N GLY A 32 -5.081 -3.881 5.696 1.00 0.00 N ATOM 470 CA GLY A 32 -5.688 -2.782 4.969 1.00 0.00 C ATOM 471 C GLY A 32 -4.940 -1.478 5.159 1.00 0.00 C ATOM 472 O GLY A 32 -4.819 -0.684 4.227 1.00 0.00 O ATOM 0 H GLY A 32 -5.664 -4.283 6.431 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -5.721 -3.027 3.907 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -6.719 -2.657 5.300 1.00 0.00 H new ATOM 476 N GLU A 33 -4.438 -1.256 6.369 1.00 0.00 N ATOM 477 CA GLU A 33 -3.699 -0.037 6.678 1.00 0.00 C ATOM 478 C GLU A 33 -2.664 0.261 5.597 1.00 0.00 C ATOM 479 O GLU A 33 -2.716 1.303 4.944 1.00 0.00 O ATOM 480 CB GLU A 33 -3.010 -0.162 8.038 1.00 0.00 C ATOM 481 CG GLU A 33 -3.874 0.294 9.202 1.00 0.00 C ATOM 482 CD GLU A 33 -3.769 1.784 9.459 1.00 0.00 C ATOM 483 OE1 GLU A 33 -3.578 2.542 8.485 1.00 0.00 O ATOM 484 OE2 GLU A 33 -3.878 2.193 10.634 1.00 0.00 O ATOM 0 H GLU A 33 -4.529 -1.904 7.152 1.00 0.00 H new ATOM 0 HA GLU A 33 -4.410 0.788 6.714 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -2.722 -1.201 8.196 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -2.092 0.425 8.026 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -4.914 0.037 9.000 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -3.580 -0.247 10.101 1.00 0.00 H new ATOM 491 N ILE A 34 -1.726 -0.662 5.414 1.00 0.00 N ATOM 492 CA ILE A 34 -0.679 -0.500 4.413 1.00 0.00 C ATOM 493 C ILE A 34 -1.205 0.233 3.183 1.00 0.00 C ATOM 494 O ILE A 34 -0.504 1.051 2.587 1.00 0.00 O ATOM 495 CB ILE A 34 -0.100 -1.859 3.978 1.00 0.00 C ATOM 496 CG1 ILE A 34 0.357 -2.657 5.201 1.00 0.00 C ATOM 497 CG2 ILE A 34 1.055 -1.656 3.009 1.00 0.00 C ATOM 498 CD1 ILE A 34 1.052 -3.954 4.850 1.00 0.00 C ATOM 0 H ILE A 34 -1.670 -1.530 5.946 1.00 0.00 H new ATOM 0 HA ILE A 34 0.112 0.091 4.876 1.00 0.00 H new ATOM 0 HB ILE A 34 -0.880 -2.425 3.469 1.00 0.00 H new ATOM 0 HG12 ILE A 34 1.032 -2.041 5.795 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -0.508 -2.875 5.827 1.00 0.00 H new ATOM 0 HG21 ILE A 34 1.454 -2.625 2.710 1.00 0.00 H new ATOM 0 HG22 ILE A 34 0.701 -1.122 2.127 1.00 0.00 H new ATOM 0 HG23 ILE A 34 1.839 -1.075 3.494 1.00 0.00 H new ATOM 0 HD11 ILE A 34 1.348 -4.467 5.765 1.00 0.00 H new ATOM 0 HD12 ILE A 34 0.372 -4.589 4.282 1.00 0.00 H new ATOM 0 HD13 ILE A 34 1.937 -3.742 4.250 1.00 0.00 H new ATOM 510 N LYS A 35 -2.444 -0.065 2.808 1.00 0.00 N ATOM 511 CA LYS A 35 -3.067 0.567 1.651 1.00 0.00 C ATOM 512 C LYS A 35 -3.244 2.065 1.878 1.00 0.00 C ATOM 513 O LYS A 35 -2.615 2.882 1.207 1.00 0.00 O ATOM 514 CB LYS A 35 -4.423 -0.079 1.360 1.00 0.00 C ATOM 515 CG LYS A 35 -4.360 -1.590 1.219 1.00 0.00 C ATOM 516 CD LYS A 35 -5.669 -2.157 0.697 1.00 0.00 C ATOM 517 CE LYS A 35 -5.701 -2.176 -0.824 1.00 0.00 C ATOM 518 NZ LYS A 35 -7.085 -2.019 -1.351 1.00 0.00 N ATOM 0 H LYS A 35 -3.037 -0.741 3.289 1.00 0.00 H new ATOM 0 HA LYS A 35 -2.411 0.423 0.793 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -5.116 0.174 2.162 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -4.829 0.346 0.442 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -3.550 -1.859 0.541 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -4.129 -2.037 2.186 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -5.806 -3.169 1.078 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -6.501 -1.560 1.072 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -5.072 -1.374 -1.211 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -5.279 -3.114 -1.185 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -7.055 -1.513 -2.259 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -7.512 -2.957 -1.491 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -7.656 -1.477 -0.671 1.00 0.00 H new ATOM 532 N GLN A 36 -4.103 2.417 2.830 1.00 0.00 N ATOM 533 CA GLN A 36 -4.361 3.817 3.145 1.00 0.00 C ATOM 534 C GLN A 36 -3.061 4.556 3.444 1.00 0.00 C ATOM 535 O GLN A 36 -2.904 5.724 3.088 1.00 0.00 O ATOM 536 CB GLN A 36 -5.309 3.926 4.340 1.00 0.00 C ATOM 537 CG GLN A 36 -5.664 5.358 4.707 1.00 0.00 C ATOM 538 CD GLN A 36 -7.047 5.479 5.315 1.00 0.00 C ATOM 539 OE1 GLN A 36 -7.198 5.892 6.465 1.00 0.00 O ATOM 540 NE2 GLN A 36 -8.067 5.120 4.544 1.00 0.00 N ATOM 0 H GLN A 36 -4.631 1.753 3.396 1.00 0.00 H new ATOM 0 HA GLN A 36 -4.829 4.279 2.275 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -6.225 3.379 4.117 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -4.850 3.442 5.202 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -4.927 5.742 5.412 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -5.607 5.982 3.815 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -7.896 4.783 3.596 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -9.021 5.181 4.899 1.00 0.00 H new ATOM 549 N ILE A 37 -2.132 3.868 4.099 1.00 0.00 N ATOM 550 CA ILE A 37 -0.845 4.460 4.445 1.00 0.00 C ATOM 551 C ILE A 37 -0.151 5.026 3.211 1.00 0.00 C ATOM 552 O ILE A 37 0.350 6.151 3.228 1.00 0.00 O ATOM 553 CB ILE A 37 0.085 3.432 5.117 1.00 0.00 C ATOM 554 CG1 ILE A 37 -0.549 2.905 6.406 1.00 0.00 C ATOM 555 CG2 ILE A 37 1.443 4.055 5.404 1.00 0.00 C ATOM 556 CD1 ILE A 37 0.095 1.636 6.920 1.00 0.00 C ATOM 0 H ILE A 37 -2.246 2.900 4.401 1.00 0.00 H new ATOM 0 HA ILE A 37 -1.048 5.268 5.148 1.00 0.00 H new ATOM 0 HB ILE A 37 0.229 2.593 4.436 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -0.482 3.674 7.175 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -1.609 2.720 6.231 1.00 0.00 H new ATOM 0 HG21 ILE A 37 2.089 3.317 5.879 1.00 0.00 H new ATOM 0 HG22 ILE A 37 1.896 4.386 4.470 1.00 0.00 H new ATOM 0 HG23 ILE A 37 1.318 4.909 6.070 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -0.404 1.320 7.836 1.00 0.00 H new ATOM 0 HD12 ILE A 37 0.005 0.852 6.168 1.00 0.00 H new ATOM 0 HD13 ILE A 37 1.149 1.821 7.127 1.00 0.00 H new ATOM 568 N LEU A 38 -0.127 4.241 2.140 1.00 0.00 N ATOM 569 CA LEU A 38 0.503 4.664 0.895 1.00 0.00 C ATOM 570 C LEU A 38 -0.137 5.944 0.367 1.00 0.00 C ATOM 571 O LEU A 38 0.477 6.688 -0.396 1.00 0.00 O ATOM 572 CB LEU A 38 0.398 3.557 -0.156 1.00 0.00 C ATOM 573 CG LEU A 38 1.305 2.344 0.054 1.00 0.00 C ATOM 574 CD1 LEU A 38 0.872 1.193 -0.841 1.00 0.00 C ATOM 575 CD2 LEU A 38 2.757 2.712 -0.211 1.00 0.00 C ATOM 0 H LEU A 38 -0.537 3.307 2.109 1.00 0.00 H new ATOM 0 HA LEU A 38 1.555 4.863 1.100 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -0.635 3.212 -0.189 1.00 0.00 H new ATOM 0 HB3 LEU A 38 0.621 3.988 -1.132 1.00 0.00 H new ATOM 0 HG LEU A 38 1.217 2.023 1.092 1.00 0.00 H new ATOM 0 HD11 LEU A 38 1.529 0.338 -0.678 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -0.154 0.913 -0.603 1.00 0.00 H new ATOM 0 HD13 LEU A 38 0.931 1.502 -1.885 1.00 0.00 H new ATOM 0 HD21 LEU A 38 3.388 1.837 -0.057 1.00 0.00 H new ATOM 0 HD22 LEU A 38 2.863 3.059 -1.239 1.00 0.00 H new ATOM 0 HD23 LEU A 38 3.062 3.504 0.473 1.00 0.00 H new ATOM 587 N GLU A 39 -1.375 6.194 0.782 1.00 0.00 N ATOM 588 CA GLU A 39 -2.098 7.385 0.352 1.00 0.00 C ATOM 589 C GLU A 39 -1.643 8.612 1.138 1.00 0.00 C ATOM 590 O GLU A 39 -1.923 9.747 0.754 1.00 0.00 O ATOM 591 CB GLU A 39 -3.605 7.185 0.526 1.00 0.00 C ATOM 592 CG GLU A 39 -4.437 8.350 0.017 1.00 0.00 C ATOM 593 CD GLU A 39 -5.915 8.184 0.311 1.00 0.00 C ATOM 594 OE1 GLU A 39 -6.250 7.554 1.336 1.00 0.00 O ATOM 595 OE2 GLU A 39 -6.738 8.685 -0.485 1.00 0.00 O ATOM 0 H GLU A 39 -1.898 5.588 1.415 1.00 0.00 H new ATOM 0 HA GLU A 39 -1.880 7.549 -0.703 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -3.906 6.278 0.001 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -3.823 7.029 1.583 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -4.081 9.273 0.474 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -4.294 8.451 -1.059 1.00 0.00 H new ATOM 602 N ASN A 40 -0.940 8.373 2.240 1.00 0.00 N ATOM 603 CA ASN A 40 -0.446 9.458 3.081 1.00 0.00 C ATOM 604 C ASN A 40 0.979 9.840 2.694 1.00 0.00 C ATOM 605 O ASN A 40 1.509 10.849 3.159 1.00 0.00 O ATOM 606 CB ASN A 40 -0.494 9.050 4.555 1.00 0.00 C ATOM 607 CG ASN A 40 -1.902 8.734 5.021 1.00 0.00 C ATOM 608 OD1 ASN A 40 -2.881 9.106 4.374 1.00 0.00 O ATOM 609 ND2 ASN A 40 -2.010 8.044 6.151 1.00 0.00 N ATOM 0 H ASN A 40 -0.700 7.439 2.572 1.00 0.00 H new ATOM 0 HA ASN A 40 -1.090 10.325 2.929 1.00 0.00 H new ATOM 0 HB2 ASN A 40 0.141 8.178 4.709 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -0.084 9.854 5.166 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -2.932 7.802 6.515 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -1.171 7.756 6.655 1.00 0.00 H new ATOM 616 N GLU A 41 1.594 9.027 1.841 1.00 0.00 N ATOM 617 CA GLU A 41 2.958 9.281 1.392 1.00 0.00 C ATOM 618 C GLU A 41 3.007 9.465 -0.122 1.00 0.00 C ATOM 619 O GLU A 41 3.819 10.233 -0.639 1.00 0.00 O ATOM 620 CB GLU A 41 3.878 8.131 1.808 1.00 0.00 C ATOM 621 CG GLU A 41 4.043 7.998 3.313 1.00 0.00 C ATOM 622 CD GLU A 41 4.895 9.103 3.906 1.00 0.00 C ATOM 623 OE1 GLU A 41 5.959 9.407 3.326 1.00 0.00 O ATOM 624 OE2 GLU A 41 4.500 9.663 4.949 1.00 0.00 O ATOM 0 H GLU A 41 1.170 8.187 1.447 1.00 0.00 H new ATOM 0 HA GLU A 41 3.303 10.201 1.863 1.00 0.00 H new ATOM 0 HB2 GLU A 41 3.481 7.197 1.410 1.00 0.00 H new ATOM 0 HB3 GLU A 41 4.858 8.279 1.355 1.00 0.00 H new ATOM 0 HG2 GLU A 41 3.060 8.009 3.785 1.00 0.00 H new ATOM 0 HG3 GLU A 41 4.496 7.033 3.541 1.00 0.00 H new ATOM 631 N LEU A 42 2.134 8.753 -0.827 1.00 0.00 N ATOM 632 CA LEU A 42 2.077 8.836 -2.282 1.00 0.00 C ATOM 633 C LEU A 42 0.831 9.589 -2.736 1.00 0.00 C ATOM 634 O LEU A 42 0.628 9.808 -3.930 1.00 0.00 O ATOM 635 CB LEU A 42 2.092 7.434 -2.893 1.00 0.00 C ATOM 636 CG LEU A 42 3.308 6.569 -2.560 1.00 0.00 C ATOM 637 CD1 LEU A 42 3.032 5.110 -2.891 1.00 0.00 C ATOM 638 CD2 LEU A 42 4.536 7.065 -3.308 1.00 0.00 C ATOM 0 H LEU A 42 1.456 8.112 -0.414 1.00 0.00 H new ATOM 0 HA LEU A 42 2.954 9.384 -2.625 1.00 0.00 H new ATOM 0 HB2 LEU A 42 1.196 6.907 -2.565 1.00 0.00 H new ATOM 0 HB3 LEU A 42 2.026 7.531 -3.977 1.00 0.00 H new ATOM 0 HG LEU A 42 3.503 6.647 -1.490 1.00 0.00 H new ATOM 0 HD11 LEU A 42 3.908 4.510 -2.647 1.00 0.00 H new ATOM 0 HD12 LEU A 42 2.179 4.760 -2.309 1.00 0.00 H new ATOM 0 HD13 LEU A 42 2.810 5.014 -3.954 1.00 0.00 H new ATOM 0 HD21 LEU A 42 5.392 6.438 -3.059 1.00 0.00 H new ATOM 0 HD22 LEU A 42 4.352 7.018 -4.381 1.00 0.00 H new ATOM 0 HD23 LEU A 42 4.746 8.095 -3.021 1.00 0.00 H new ATOM 650 N GLN A 43 0.002 9.984 -1.776 1.00 0.00 N ATOM 651 CA GLN A 43 -1.224 10.714 -2.078 1.00 0.00 C ATOM 652 C GLN A 43 -2.069 9.959 -3.100 1.00 0.00 C ATOM 653 O GLN A 43 -2.804 10.565 -3.880 1.00 0.00 O ATOM 654 CB GLN A 43 -0.894 12.112 -2.604 1.00 0.00 C ATOM 655 CG GLN A 43 -0.415 13.070 -1.526 1.00 0.00 C ATOM 656 CD GLN A 43 1.079 12.977 -1.285 1.00 0.00 C ATOM 657 OE1 GLN A 43 1.496 11.969 -0.528 1.00 0.00 O flip ATOM 658 NE2 GLN A 43 1.851 13.803 -1.774 1.00 0.00 N flip ATOM 0 H GLN A 43 0.156 9.811 -0.783 1.00 0.00 H new ATOM 0 HA GLN A 43 -1.798 10.807 -1.156 1.00 0.00 H new ATOM 0 HB2 GLN A 43 -0.126 12.030 -3.373 1.00 0.00 H new ATOM 0 HB3 GLN A 43 -1.780 12.530 -3.082 1.00 0.00 H new ATOM 0 HG2 GLN A 43 -0.670 14.090 -1.812 1.00 0.00 H new ATOM 0 HG3 GLN A 43 -0.943 12.858 -0.596 1.00 0.00 H new ATOM 0 HE21 GLN A 43 1.488 14.562 -2.350 1.00 0.00 H new ATOM 0 HE22 GLN A 43 2.854 13.728 -1.603 1.00 0.00 H new ATOM 667 N ILE A 44 -1.958 8.635 -3.089 1.00 0.00 N ATOM 668 CA ILE A 44 -2.713 7.799 -4.015 1.00 0.00 C ATOM 669 C ILE A 44 -3.913 7.160 -3.324 1.00 0.00 C ATOM 670 O ILE A 44 -3.814 6.630 -2.217 1.00 0.00 O ATOM 671 CB ILE A 44 -1.831 6.690 -4.619 1.00 0.00 C ATOM 672 CG1 ILE A 44 -0.546 7.288 -5.196 1.00 0.00 C ATOM 673 CG2 ILE A 44 -2.596 5.930 -5.691 1.00 0.00 C ATOM 674 CD1 ILE A 44 0.304 6.285 -5.944 1.00 0.00 C ATOM 0 H ILE A 44 -1.354 8.118 -2.450 1.00 0.00 H new ATOM 0 HA ILE A 44 -3.062 8.450 -4.816 1.00 0.00 H new ATOM 0 HB ILE A 44 -1.561 5.990 -3.828 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -0.805 8.106 -5.869 1.00 0.00 H new ATOM 0 HG13 ILE A 44 0.042 7.717 -4.385 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -1.959 5.150 -6.108 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -3.485 5.477 -5.252 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -2.893 6.618 -6.483 1.00 0.00 H new ATOM 0 HD11 ILE A 44 1.198 6.778 -6.325 1.00 0.00 H new ATOM 0 HD12 ILE A 44 0.594 5.479 -5.270 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -0.267 5.874 -6.777 1.00 0.00 H new ATOM 686 N PRO A 45 -5.074 7.206 -3.993 1.00 0.00 N ATOM 687 CA PRO A 45 -6.316 6.634 -3.464 1.00 0.00 C ATOM 688 C PRO A 45 -6.284 5.110 -3.431 1.00 0.00 C ATOM 689 O PRO A 45 -6.135 4.460 -4.466 1.00 0.00 O ATOM 690 CB PRO A 45 -7.380 7.125 -4.448 1.00 0.00 C ATOM 691 CG PRO A 45 -6.640 7.364 -5.719 1.00 0.00 C ATOM 692 CD PRO A 45 -5.265 7.821 -5.318 1.00 0.00 C ATOM 0 HA PRO A 45 -6.497 6.937 -2.433 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -8.167 6.383 -4.582 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -7.858 8.037 -4.091 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -6.590 6.455 -6.318 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -7.140 8.118 -6.326 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -4.508 7.489 -6.028 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -5.201 8.908 -5.270 1.00 0.00 H new ATOM 700 N VAL A 46 -6.425 4.545 -2.236 1.00 0.00 N ATOM 701 CA VAL A 46 -6.413 3.097 -2.069 1.00 0.00 C ATOM 702 C VAL A 46 -7.327 2.419 -3.084 1.00 0.00 C ATOM 703 O VAL A 46 -7.159 1.241 -3.397 1.00 0.00 O ATOM 704 CB VAL A 46 -6.852 2.693 -0.649 1.00 0.00 C ATOM 705 CG1 VAL A 46 -6.939 1.179 -0.528 1.00 0.00 C ATOM 706 CG2 VAL A 46 -5.896 3.264 0.387 1.00 0.00 C ATOM 0 H VAL A 46 -6.549 5.068 -1.369 1.00 0.00 H new ATOM 0 HA VAL A 46 -5.387 2.768 -2.232 1.00 0.00 H new ATOM 0 HB VAL A 46 -7.843 3.107 -0.462 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -7.250 0.912 0.482 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -7.666 0.798 -1.245 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -5.963 0.741 -0.734 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -6.222 2.969 1.384 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -4.892 2.882 0.205 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -5.889 4.352 0.315 1.00 0.00 H new ATOM 716 N SER A 47 -8.296 3.172 -3.595 1.00 0.00 N ATOM 717 CA SER A 47 -9.240 2.644 -4.573 1.00 0.00 C ATOM 718 C SER A 47 -8.531 2.291 -5.877 1.00 0.00 C ATOM 719 O SER A 47 -8.820 1.268 -6.498 1.00 0.00 O ATOM 720 CB SER A 47 -10.351 3.660 -4.842 1.00 0.00 C ATOM 721 OG SER A 47 -10.960 4.082 -3.634 1.00 0.00 O ATOM 0 H SER A 47 -8.448 4.150 -3.348 1.00 0.00 H new ATOM 0 HA SER A 47 -9.681 1.736 -4.162 1.00 0.00 H new ATOM 0 HB2 SER A 47 -9.940 4.523 -5.366 1.00 0.00 H new ATOM 0 HB3 SER A 47 -11.102 3.217 -5.496 1.00 0.00 H new ATOM 0 HG SER A 47 -11.666 4.732 -3.833 1.00 0.00 H new ATOM 727 N LYS A 48 -7.600 3.147 -6.287 1.00 0.00 N ATOM 728 CA LYS A 48 -6.847 2.928 -7.516 1.00 0.00 C ATOM 729 C LYS A 48 -5.688 1.965 -7.279 1.00 0.00 C ATOM 730 O LYS A 48 -5.204 1.321 -8.210 1.00 0.00 O ATOM 731 CB LYS A 48 -6.318 4.257 -8.058 1.00 0.00 C ATOM 732 CG LYS A 48 -7.410 5.268 -8.363 1.00 0.00 C ATOM 733 CD LYS A 48 -7.917 5.127 -9.788 1.00 0.00 C ATOM 734 CE LYS A 48 -9.330 5.671 -9.934 1.00 0.00 C ATOM 735 NZ LYS A 48 -9.668 5.966 -11.354 1.00 0.00 N ATOM 0 H LYS A 48 -7.349 3.999 -5.785 1.00 0.00 H new ATOM 0 HA LYS A 48 -7.519 2.486 -8.251 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -5.629 4.687 -7.331 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -5.746 4.067 -8.966 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -8.237 5.133 -7.666 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -7.026 6.277 -8.210 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -7.250 5.658 -10.467 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -7.898 4.077 -10.080 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -10.041 4.947 -9.535 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -9.432 6.579 -9.340 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -10.211 6.851 -11.405 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -8.792 6.065 -11.906 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -10.237 5.188 -11.744 1.00 0.00 H new ATOM 749 N MET A 49 -5.248 1.871 -6.029 1.00 0.00 N ATOM 750 CA MET A 49 -4.147 0.985 -5.670 1.00 0.00 C ATOM 751 C MET A 49 -4.646 -0.439 -5.448 1.00 0.00 C ATOM 752 O MET A 49 -5.794 -0.652 -5.057 1.00 0.00 O ATOM 753 CB MET A 49 -3.443 1.494 -4.411 1.00 0.00 C ATOM 754 CG MET A 49 -2.671 2.785 -4.626 1.00 0.00 C ATOM 755 SD MET A 49 -1.354 3.016 -3.416 1.00 0.00 S ATOM 756 CE MET A 49 -2.233 3.884 -2.120 1.00 0.00 C ATOM 0 H MET A 49 -5.637 2.398 -5.247 1.00 0.00 H new ATOM 0 HA MET A 49 -3.436 0.977 -6.496 1.00 0.00 H new ATOM 0 HB2 MET A 49 -4.185 1.650 -3.628 1.00 0.00 H new ATOM 0 HB3 MET A 49 -2.758 0.726 -4.052 1.00 0.00 H new ATOM 0 HG2 MET A 49 -2.242 2.785 -5.628 1.00 0.00 H new ATOM 0 HG3 MET A 49 -3.359 3.629 -4.574 1.00 0.00 H new ATOM 0 HE1 MET A 49 -1.630 4.722 -1.770 1.00 0.00 H new ATOM 0 HE2 MET A 49 -3.181 4.256 -2.509 1.00 0.00 H new ATOM 0 HE3 MET A 49 -2.424 3.203 -1.291 1.00 0.00 H new ATOM 766 N LEU A 50 -3.776 -1.412 -5.700 1.00 0.00 N ATOM 767 CA LEU A 50 -4.129 -2.817 -5.527 1.00 0.00 C ATOM 768 C LEU A 50 -3.037 -3.563 -4.768 1.00 0.00 C ATOM 769 O LEU A 50 -2.017 -3.946 -5.343 1.00 0.00 O ATOM 770 CB LEU A 50 -4.361 -3.476 -6.888 1.00 0.00 C ATOM 771 CG LEU A 50 -5.313 -2.743 -7.835 1.00 0.00 C ATOM 772 CD1 LEU A 50 -5.169 -3.275 -9.253 1.00 0.00 C ATOM 773 CD2 LEU A 50 -6.751 -2.879 -7.356 1.00 0.00 C ATOM 0 H LEU A 50 -2.822 -1.254 -6.024 1.00 0.00 H new ATOM 0 HA LEU A 50 -5.049 -2.866 -4.945 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -3.397 -3.584 -7.386 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -4.749 -4.481 -6.721 1.00 0.00 H new ATOM 0 HG LEU A 50 -5.050 -1.685 -7.837 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -5.854 -2.742 -9.913 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -4.145 -3.126 -9.595 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -5.405 -4.339 -9.268 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -7.414 -2.352 -8.042 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -7.026 -3.933 -7.324 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -6.844 -2.450 -6.358 1.00 0.00 H new ATOM 785 N LEU A 51 -3.258 -3.768 -3.474 1.00 0.00 N ATOM 786 CA LEU A 51 -2.294 -4.472 -2.635 1.00 0.00 C ATOM 787 C LEU A 51 -2.079 -5.898 -3.131 1.00 0.00 C ATOM 788 O LEU A 51 -3.024 -6.680 -3.235 1.00 0.00 O ATOM 789 CB LEU A 51 -2.771 -4.491 -1.182 1.00 0.00 C ATOM 790 CG LEU A 51 -1.675 -4.540 -0.117 1.00 0.00 C ATOM 791 CD1 LEU A 51 -0.729 -5.702 -0.377 1.00 0.00 C ATOM 792 CD2 LEU A 51 -0.910 -3.225 -0.078 1.00 0.00 C ATOM 0 H LEU A 51 -4.096 -3.457 -2.983 1.00 0.00 H new ATOM 0 HA LEU A 51 -1.344 -3.941 -2.692 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -3.379 -3.603 -1.008 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -3.422 -5.355 -1.045 1.00 0.00 H new ATOM 0 HG LEU A 51 -2.146 -4.692 0.854 1.00 0.00 H new ATOM 0 HD11 LEU A 51 0.044 -5.721 0.391 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -1.287 -6.638 -0.353 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -0.265 -5.581 -1.356 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -0.134 -3.278 0.686 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -0.451 -3.042 -1.050 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -1.596 -2.412 0.158 1.00 0.00 H new ATOM 804 N LYS A 52 -0.829 -6.231 -3.435 1.00 0.00 N ATOM 805 CA LYS A 52 -0.488 -7.565 -3.916 1.00 0.00 C ATOM 806 C LYS A 52 0.912 -7.966 -3.461 1.00 0.00 C ATOM 807 O LYS A 52 1.642 -7.161 -2.884 1.00 0.00 O ATOM 808 CB LYS A 52 -0.573 -7.615 -5.444 1.00 0.00 C ATOM 809 CG LYS A 52 -1.977 -7.406 -5.982 1.00 0.00 C ATOM 810 CD LYS A 52 -2.084 -7.824 -7.439 1.00 0.00 C ATOM 811 CE LYS A 52 -3.316 -7.226 -8.101 1.00 0.00 C ATOM 812 NZ LYS A 52 -4.567 -7.902 -7.659 1.00 0.00 N ATOM 0 H LYS A 52 -0.035 -5.595 -3.357 1.00 0.00 H new ATOM 0 HA LYS A 52 -1.204 -8.271 -3.494 1.00 0.00 H new ATOM 0 HB2 LYS A 52 0.084 -6.852 -5.861 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -0.201 -8.580 -5.789 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -2.686 -7.980 -5.385 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -2.253 -6.356 -5.882 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -1.190 -7.506 -7.976 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -2.126 -8.911 -7.505 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -3.375 -6.163 -7.866 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -3.222 -7.308 -9.184 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -5.383 -7.465 -8.133 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -4.522 -8.911 -7.906 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -4.670 -7.802 -6.629 1.00 0.00 H new ATOM 826 N GLY A 53 1.280 -9.216 -3.726 1.00 0.00 N ATOM 827 CA GLY A 53 2.591 -9.701 -3.338 1.00 0.00 C ATOM 828 C GLY A 53 2.615 -10.238 -1.920 1.00 0.00 C ATOM 829 O GLY A 53 3.657 -10.235 -1.265 1.00 0.00 O ATOM 0 H GLY A 53 0.693 -9.901 -4.202 1.00 0.00 H new ATOM 0 HA2 GLY A 53 2.902 -10.487 -4.026 1.00 0.00 H new ATOM 0 HA3 GLY A 53 3.316 -8.892 -3.429 1.00 0.00 H new ATOM 833 N TRP A 54 1.463 -10.698 -1.445 1.00 0.00 N ATOM 834 CA TRP A 54 1.355 -11.239 -0.095 1.00 0.00 C ATOM 835 C TRP A 54 2.086 -12.573 0.017 1.00 0.00 C ATOM 836 O TRP A 54 2.721 -13.027 -0.935 1.00 0.00 O ATOM 837 CB TRP A 54 -0.114 -11.415 0.290 1.00 0.00 C ATOM 838 CG TRP A 54 -0.759 -10.149 0.768 1.00 0.00 C ATOM 839 CD1 TRP A 54 -1.787 -9.477 0.171 1.00 0.00 C ATOM 840 CD2 TRP A 54 -0.417 -9.403 1.941 1.00 0.00 C ATOM 841 NE1 TRP A 54 -2.104 -8.358 0.902 1.00 0.00 N ATOM 842 CE2 TRP A 54 -1.279 -8.290 1.993 1.00 0.00 C ATOM 843 CE3 TRP A 54 0.533 -9.568 2.953 1.00 0.00 C ATOM 844 CZ2 TRP A 54 -1.217 -7.349 3.017 1.00 0.00 C ATOM 845 CZ3 TRP A 54 0.593 -8.632 3.969 1.00 0.00 C ATOM 846 CH2 TRP A 54 -0.278 -7.535 3.995 1.00 0.00 C ATOM 0 H TRP A 54 0.591 -10.707 -1.974 1.00 0.00 H new ATOM 0 HA TRP A 54 1.821 -10.532 0.591 1.00 0.00 H new ATOM 0 HB2 TRP A 54 -0.665 -11.792 -0.571 1.00 0.00 H new ATOM 0 HB3 TRP A 54 -0.189 -12.170 1.072 1.00 0.00 H new ATOM 0 HD1 TRP A 54 -2.278 -9.781 -0.742 1.00 0.00 H new ATOM 0 HE1 TRP A 54 -2.836 -7.686 0.670 1.00 0.00 H new ATOM 0 HE3 TRP A 54 1.208 -10.411 2.942 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 -1.887 -6.502 3.039 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 1.324 -8.749 4.756 1.00 0.00 H new ATOM 0 HH2 TRP A 54 -0.207 -6.822 4.803 1.00 0.00 H new ATOM 912 N VAL A 59 -4.445 -11.865 0.275 1.00 0.00 N ATOM 913 CA VAL A 59 -4.901 -11.597 1.634 1.00 0.00 C ATOM 914 C VAL A 59 -6.005 -10.546 1.646 1.00 0.00 C ATOM 915 O VAL A 59 -5.995 -9.613 0.845 1.00 0.00 O ATOM 916 CB VAL A 59 -3.744 -11.121 2.531 1.00 0.00 C ATOM 917 CG1 VAL A 59 -4.242 -10.835 3.939 1.00 0.00 C ATOM 918 CG2 VAL A 59 -2.626 -12.153 2.552 1.00 0.00 C ATOM 0 HA VAL A 59 -5.292 -12.535 2.027 1.00 0.00 H new ATOM 0 HB VAL A 59 -3.345 -10.195 2.117 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -3.410 -10.500 4.558 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -5.005 -10.057 3.904 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -4.669 -11.743 4.365 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -1.817 -11.800 3.191 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -3.009 -13.097 2.940 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -2.250 -12.303 1.540 1.00 0.00 H new ATOM 928 N GLU A 60 -6.956 -10.705 2.562 1.00 0.00 N ATOM 929 CA GLU A 60 -8.068 -9.769 2.678 1.00 0.00 C ATOM 930 C GLU A 60 -7.747 -8.664 3.680 1.00 0.00 C ATOM 931 O GLU A 60 -7.018 -8.882 4.648 1.00 0.00 O ATOM 932 CB GLU A 60 -9.341 -10.504 3.103 1.00 0.00 C ATOM 933 CG GLU A 60 -9.221 -11.199 4.449 1.00 0.00 C ATOM 934 CD GLU A 60 -10.311 -12.229 4.673 1.00 0.00 C ATOM 935 OE1 GLU A 60 -11.502 -11.864 4.580 1.00 0.00 O ATOM 936 OE2 GLU A 60 -9.973 -13.401 4.940 1.00 0.00 O ATOM 0 H GLU A 60 -6.978 -11.472 3.234 1.00 0.00 H new ATOM 0 HA GLU A 60 -8.229 -9.314 1.701 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -10.165 -9.792 3.143 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -9.595 -11.243 2.343 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -8.248 -11.685 4.517 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -9.262 -10.454 5.243 1.00 0.00 H new ATOM 943 N ASP A 61 -8.295 -7.478 3.440 1.00 0.00 N ATOM 944 CA ASP A 61 -8.068 -6.339 4.321 1.00 0.00 C ATOM 945 C ASP A 61 -8.534 -6.648 5.740 1.00 0.00 C ATOM 946 O ASP A 61 -8.248 -5.900 6.675 1.00 0.00 O ATOM 947 CB ASP A 61 -8.796 -5.103 3.790 1.00 0.00 C ATOM 948 CG ASP A 61 -8.903 -5.100 2.278 1.00 0.00 C ATOM 949 OD1 ASP A 61 -9.889 -5.658 1.752 1.00 0.00 O ATOM 950 OD2 ASP A 61 -8.002 -4.540 1.619 1.00 0.00 O ATOM 0 H ASP A 61 -8.900 -7.280 2.643 1.00 0.00 H new ATOM 0 HA ASP A 61 -6.997 -6.138 4.345 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -9.796 -5.060 4.222 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -8.269 -4.206 4.116 1.00 0.00 H new ATOM 955 N SER A 62 -9.254 -7.754 5.894 1.00 0.00 N ATOM 956 CA SER A 62 -9.764 -8.160 7.198 1.00 0.00 C ATOM 957 C SER A 62 -8.751 -9.036 7.929 1.00 0.00 C ATOM 958 O SER A 62 -9.085 -9.713 8.902 1.00 0.00 O ATOM 959 CB SER A 62 -11.087 -8.913 7.041 1.00 0.00 C ATOM 960 OG SER A 62 -12.176 -8.013 6.934 1.00 0.00 O ATOM 0 H SER A 62 -9.498 -8.386 5.131 1.00 0.00 H new ATOM 0 HA SER A 62 -9.934 -7.260 7.789 1.00 0.00 H new ATOM 0 HB2 SER A 62 -11.046 -9.546 6.155 1.00 0.00 H new ATOM 0 HB3 SER A 62 -11.238 -9.572 7.896 1.00 0.00 H new ATOM 0 HG SER A 62 -13.009 -8.519 6.833 1.00 0.00 H new ATOM 966 N THR A 63 -7.510 -9.018 7.453 1.00 0.00 N ATOM 967 CA THR A 63 -6.448 -9.811 8.058 1.00 0.00 C ATOM 968 C THR A 63 -5.448 -8.923 8.790 1.00 0.00 C ATOM 969 O THR A 63 -5.201 -7.786 8.387 1.00 0.00 O ATOM 970 CB THR A 63 -5.698 -10.646 7.003 1.00 0.00 C ATOM 971 OG1 THR A 63 -6.628 -11.194 6.061 1.00 0.00 O ATOM 972 CG2 THR A 63 -4.913 -11.770 7.660 1.00 0.00 C ATOM 0 H THR A 63 -7.216 -8.462 6.650 1.00 0.00 H new ATOM 0 HA THR A 63 -6.924 -10.484 8.771 1.00 0.00 H new ATOM 0 HB THR A 63 -4.998 -9.991 6.484 1.00 0.00 H new ATOM 0 HG1 THR A 63 -6.847 -10.518 5.387 1.00 0.00 H new ATOM 0 HG21 THR A 63 -4.392 -12.346 6.895 1.00 0.00 H new ATOM 0 HG22 THR A 63 -4.186 -11.349 8.355 1.00 0.00 H new ATOM 0 HG23 THR A 63 -5.597 -12.423 8.202 1.00 0.00 H new ATOM 980 N VAL A 64 -4.875 -9.448 9.868 1.00 0.00 N ATOM 981 CA VAL A 64 -3.900 -8.703 10.656 1.00 0.00 C ATOM 982 C VAL A 64 -2.480 -9.174 10.361 1.00 0.00 C ATOM 983 O VAL A 64 -2.240 -10.363 10.147 1.00 0.00 O ATOM 984 CB VAL A 64 -4.173 -8.843 12.165 1.00 0.00 C ATOM 985 CG1 VAL A 64 -3.279 -7.903 12.959 1.00 0.00 C ATOM 986 CG2 VAL A 64 -5.640 -8.580 12.467 1.00 0.00 C ATOM 0 H VAL A 64 -5.069 -10.387 10.216 1.00 0.00 H new ATOM 0 HA VAL A 64 -3.998 -7.655 10.373 1.00 0.00 H new ATOM 0 HB VAL A 64 -3.942 -9.865 12.465 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -3.486 -8.016 14.023 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -2.234 -8.144 12.765 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -3.475 -6.874 12.659 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -5.815 -8.683 13.538 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -5.901 -7.570 12.152 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -6.257 -9.299 11.928 1.00 0.00 H new ATOM 996 N LEU A 65 -1.541 -8.234 10.352 1.00 0.00 N ATOM 997 CA LEU A 65 -0.143 -8.552 10.085 1.00 0.00 C ATOM 998 C LEU A 65 0.349 -9.663 11.007 1.00 0.00 C ATOM 999 O LEU A 65 0.936 -10.647 10.554 1.00 0.00 O ATOM 1000 CB LEU A 65 0.727 -7.306 10.260 1.00 0.00 C ATOM 1001 CG LEU A 65 0.298 -6.072 9.465 1.00 0.00 C ATOM 1002 CD1 LEU A 65 0.693 -4.800 10.201 1.00 0.00 C ATOM 1003 CD2 LEU A 65 0.909 -6.096 8.072 1.00 0.00 C ATOM 0 H LEU A 65 -1.723 -7.246 10.527 1.00 0.00 H new ATOM 0 HA LEU A 65 -0.066 -8.899 9.055 1.00 0.00 H new ATOM 0 HB2 LEU A 65 0.744 -7.044 11.318 1.00 0.00 H new ATOM 0 HB3 LEU A 65 1.749 -7.558 9.978 1.00 0.00 H new ATOM 0 HG LEU A 65 -0.787 -6.087 9.364 1.00 0.00 H new ATOM 0 HD11 LEU A 65 0.380 -3.932 9.621 1.00 0.00 H new ATOM 0 HD12 LEU A 65 0.208 -4.779 11.177 1.00 0.00 H new ATOM 0 HD13 LEU A 65 1.775 -4.777 10.333 1.00 0.00 H new ATOM 0 HD21 LEU A 65 0.593 -5.210 7.521 1.00 0.00 H new ATOM 0 HD22 LEU A 65 1.996 -6.105 8.152 1.00 0.00 H new ATOM 0 HD23 LEU A 65 0.576 -6.990 7.544 1.00 0.00 H new ATOM 1015 N LYS A 66 0.105 -9.501 12.303 1.00 0.00 N ATOM 1016 CA LYS A 66 0.519 -10.491 13.290 1.00 0.00 C ATOM 1017 C LYS A 66 -0.105 -11.850 12.992 1.00 0.00 C ATOM 1018 O LYS A 66 0.381 -12.882 13.456 1.00 0.00 O ATOM 1019 CB LYS A 66 0.126 -10.034 14.696 1.00 0.00 C ATOM 1020 CG LYS A 66 -1.323 -10.326 15.048 1.00 0.00 C ATOM 1021 CD LYS A 66 -1.578 -10.168 16.537 1.00 0.00 C ATOM 1022 CE LYS A 66 -1.777 -8.708 16.917 1.00 0.00 C ATOM 1023 NZ LYS A 66 -3.200 -8.290 16.785 1.00 0.00 N ATOM 0 H LYS A 66 -0.378 -8.692 12.695 1.00 0.00 H new ATOM 0 HA LYS A 66 1.603 -10.590 13.237 1.00 0.00 H new ATOM 0 HB2 LYS A 66 0.774 -10.525 15.423 1.00 0.00 H new ATOM 0 HB3 LYS A 66 0.303 -8.962 14.783 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -1.976 -9.653 14.493 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -1.576 -11.341 14.740 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -2.461 -10.742 16.819 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -0.738 -10.579 17.097 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -1.446 -8.552 17.944 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -1.153 -8.079 16.282 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -3.245 -7.275 16.565 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -3.651 -8.831 16.020 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -3.700 -8.472 17.679 1.00 0.00 H new ATOM 1037 N SER A 67 -1.183 -11.844 12.215 1.00 0.00 N ATOM 1038 CA SER A 67 -1.875 -13.077 11.857 1.00 0.00 C ATOM 1039 C SER A 67 -1.057 -13.888 10.857 1.00 0.00 C ATOM 1040 O SER A 67 -0.926 -15.106 10.987 1.00 0.00 O ATOM 1041 CB SER A 67 -3.253 -12.762 11.271 1.00 0.00 C ATOM 1042 OG SER A 67 -4.170 -13.809 11.534 1.00 0.00 O ATOM 0 H SER A 67 -1.597 -10.999 11.821 1.00 0.00 H new ATOM 0 HA SER A 67 -2.001 -13.670 12.763 1.00 0.00 H new ATOM 0 HB2 SER A 67 -3.628 -11.831 11.696 1.00 0.00 H new ATOM 0 HB3 SER A 67 -3.168 -12.610 10.195 1.00 0.00 H new ATOM 0 HG SER A 67 -5.043 -13.583 11.151 1.00 0.00 H new ATOM 1048 N LEU A 68 -0.510 -13.205 9.858 1.00 0.00 N ATOM 1049 CA LEU A 68 0.296 -13.860 8.834 1.00 0.00 C ATOM 1050 C LEU A 68 1.725 -14.076 9.321 1.00 0.00 C ATOM 1051 O LEU A 68 2.446 -14.931 8.805 1.00 0.00 O ATOM 1052 CB LEU A 68 0.303 -13.026 7.551 1.00 0.00 C ATOM 1053 CG LEU A 68 -1.068 -12.621 7.006 1.00 0.00 C ATOM 1054 CD1 LEU A 68 -0.937 -11.443 6.054 1.00 0.00 C ATOM 1055 CD2 LEU A 68 -1.734 -13.799 6.311 1.00 0.00 C ATOM 0 H LEU A 68 -0.610 -12.197 9.735 1.00 0.00 H new ATOM 0 HA LEU A 68 -0.148 -14.833 8.625 1.00 0.00 H new ATOM 0 HB2 LEU A 68 0.881 -12.120 7.733 1.00 0.00 H new ATOM 0 HB3 LEU A 68 0.827 -13.589 6.778 1.00 0.00 H new ATOM 0 HG LEU A 68 -1.695 -12.317 7.844 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -1.922 -11.169 5.676 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -0.502 -10.595 6.583 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -0.293 -11.720 5.219 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -2.708 -13.493 5.929 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -1.109 -14.134 5.483 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -1.863 -14.615 7.022 1.00 0.00 H new ATOM 1067 N HIS A 69 2.129 -13.297 10.319 1.00 0.00 N ATOM 1068 CA HIS A 69 3.472 -13.405 10.878 1.00 0.00 C ATOM 1069 C HIS A 69 4.503 -12.787 9.939 1.00 0.00 C ATOM 1070 O HIS A 69 5.561 -13.366 9.694 1.00 0.00 O ATOM 1071 CB HIS A 69 3.820 -14.870 11.143 1.00 0.00 C ATOM 1072 CG HIS A 69 2.628 -15.724 11.446 1.00 0.00 C ATOM 1073 ND1 HIS A 69 2.372 -16.916 10.801 1.00 0.00 N ATOM 1074 CD2 HIS A 69 1.619 -15.554 12.333 1.00 0.00 C ATOM 1075 CE1 HIS A 69 1.257 -17.441 11.276 1.00 0.00 C ATOM 1076 NE2 HIS A 69 0.780 -16.635 12.208 1.00 0.00 N ATOM 0 H HIS A 69 1.546 -12.584 10.757 1.00 0.00 H new ATOM 0 HA HIS A 69 3.492 -12.858 11.821 1.00 0.00 H new ATOM 0 HB2 HIS A 69 4.335 -15.276 10.272 1.00 0.00 H new ATOM 0 HB3 HIS A 69 4.517 -14.924 11.979 1.00 0.00 H new ATOM 0 HD2 HIS A 69 1.497 -14.723 13.012 1.00 0.00 H new ATOM 0 HE1 HIS A 69 0.811 -18.371 10.957 1.00 0.00 H new ATOM 0 HE2 HIS A 69 -0.072 -16.790 12.747 1.00 0.00 H new ATOM 1085 N LEU A 70 4.187 -11.607 9.416 1.00 0.00 N ATOM 1086 CA LEU A 70 5.085 -10.910 8.503 1.00 0.00 C ATOM 1087 C LEU A 70 6.510 -10.891 9.049 1.00 0.00 C ATOM 1088 O LEU A 70 6.739 -10.733 10.248 1.00 0.00 O ATOM 1089 CB LEU A 70 4.598 -9.478 8.270 1.00 0.00 C ATOM 1090 CG LEU A 70 3.583 -9.290 7.142 1.00 0.00 C ATOM 1091 CD1 LEU A 70 4.164 -9.763 5.818 1.00 0.00 C ATOM 1092 CD2 LEU A 70 2.293 -10.033 7.455 1.00 0.00 C ATOM 0 H LEU A 70 3.316 -11.113 9.609 1.00 0.00 H new ATOM 0 HA LEU A 70 5.085 -11.446 7.554 1.00 0.00 H new ATOM 0 HB2 LEU A 70 4.155 -9.111 9.196 1.00 0.00 H new ATOM 0 HB3 LEU A 70 5.464 -8.850 8.061 1.00 0.00 H new ATOM 0 HG LEU A 70 3.355 -8.227 7.058 1.00 0.00 H new ATOM 0 HD11 LEU A 70 3.428 -9.622 5.027 1.00 0.00 H new ATOM 0 HD12 LEU A 70 5.060 -9.187 5.587 1.00 0.00 H new ATOM 0 HD13 LEU A 70 4.421 -10.820 5.890 1.00 0.00 H new ATOM 0 HD21 LEU A 70 1.583 -9.888 6.641 1.00 0.00 H new ATOM 0 HD22 LEU A 70 2.504 -11.097 7.567 1.00 0.00 H new ATOM 0 HD23 LEU A 70 1.867 -9.648 8.381 1.00 0.00 H new ATOM 1104 N PRO A 71 7.491 -11.055 8.149 1.00 0.00 N ATOM 1105 CA PRO A 71 8.910 -11.058 8.517 1.00 0.00 C ATOM 1106 C PRO A 71 9.400 -9.680 8.946 1.00 0.00 C ATOM 1107 O PRO A 71 8.614 -8.740 9.071 1.00 0.00 O ATOM 1108 CB PRO A 71 9.609 -11.497 7.228 1.00 0.00 C ATOM 1109 CG PRO A 71 8.675 -11.102 6.137 1.00 0.00 C ATOM 1110 CD PRO A 71 7.290 -11.249 6.703 1.00 0.00 C ATOM 0 HA PRO A 71 9.109 -11.708 9.369 1.00 0.00 H new ATOM 0 HB2 PRO A 71 10.577 -11.009 7.117 1.00 0.00 H new ATOM 0 HB3 PRO A 71 9.792 -12.572 7.223 1.00 0.00 H new ATOM 0 HG2 PRO A 71 8.859 -10.076 5.818 1.00 0.00 H new ATOM 0 HG3 PRO A 71 8.808 -11.737 5.261 1.00 0.00 H new ATOM 0 HD2 PRO A 71 6.606 -10.508 6.289 1.00 0.00 H new ATOM 0 HD3 PRO A 71 6.868 -12.230 6.484 1.00 0.00 H new ATOM 1118 N LYS A 72 10.705 -9.565 9.171 1.00 0.00 N ATOM 1119 CA LYS A 72 11.302 -8.301 9.585 1.00 0.00 C ATOM 1120 C LYS A 72 11.239 -7.275 8.458 1.00 0.00 C ATOM 1121 O LYS A 72 10.942 -6.104 8.689 1.00 0.00 O ATOM 1122 CB LYS A 72 12.755 -8.516 10.014 1.00 0.00 C ATOM 1123 CG LYS A 72 13.365 -7.317 10.719 1.00 0.00 C ATOM 1124 CD LYS A 72 14.871 -7.263 10.526 1.00 0.00 C ATOM 1125 CE LYS A 72 15.240 -6.670 9.175 1.00 0.00 C ATOM 1126 NZ LYS A 72 16.708 -6.461 9.042 1.00 0.00 N ATOM 0 H LYS A 72 11.369 -10.333 9.073 1.00 0.00 H new ATOM 0 HA LYS A 72 10.733 -7.919 10.432 1.00 0.00 H new ATOM 0 HB2 LYS A 72 12.805 -9.380 10.676 1.00 0.00 H new ATOM 0 HB3 LYS A 72 13.353 -8.753 9.134 1.00 0.00 H new ATOM 0 HG2 LYS A 72 12.915 -6.401 10.336 1.00 0.00 H new ATOM 0 HG3 LYS A 72 13.135 -7.364 11.783 1.00 0.00 H new ATOM 0 HD2 LYS A 72 15.319 -6.667 11.321 1.00 0.00 H new ATOM 0 HD3 LYS A 72 15.286 -8.268 10.609 1.00 0.00 H new ATOM 0 HE2 LYS A 72 14.894 -7.332 8.381 1.00 0.00 H new ATOM 0 HE3 LYS A 72 14.725 -5.719 9.043 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 16.918 -6.056 8.107 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 17.034 -5.809 9.783 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 17.199 -7.372 9.142 1.00 0.00 H new ATOM 1140 N ASN A 73 11.521 -7.723 7.239 1.00 0.00 N ATOM 1141 CA ASN A 73 11.496 -6.843 6.076 1.00 0.00 C ATOM 1142 C ASN A 73 10.673 -7.457 4.947 1.00 0.00 C ATOM 1143 O ASN A 73 10.823 -8.636 4.627 1.00 0.00 O ATOM 1144 CB ASN A 73 12.919 -6.563 5.592 1.00 0.00 C ATOM 1145 CG ASN A 73 13.049 -5.202 4.935 1.00 0.00 C ATOM 1146 OD1 ASN A 73 12.343 -4.894 3.975 1.00 0.00 O ATOM 1147 ND2 ASN A 73 13.956 -4.381 5.452 1.00 0.00 N ATOM 0 H ASN A 73 11.769 -8.690 7.031 1.00 0.00 H new ATOM 0 HA ASN A 73 11.029 -5.903 6.372 1.00 0.00 H new ATOM 0 HB2 ASN A 73 13.605 -6.623 6.437 1.00 0.00 H new ATOM 0 HB3 ASN A 73 13.217 -7.336 4.883 1.00 0.00 H new ATOM 0 HD21 ASN A 73 14.090 -3.452 5.053 1.00 0.00 H new ATOM 0 HD22 ASN A 73 14.519 -4.679 6.249 1.00 0.00 H new ATOM 1154 N ASN A 74 9.805 -6.649 4.348 1.00 0.00 N ATOM 1155 CA ASN A 74 8.959 -7.113 3.254 1.00 0.00 C ATOM 1156 C ASN A 74 9.023 -6.151 2.071 1.00 0.00 C ATOM 1157 O ASN A 74 9.377 -4.982 2.227 1.00 0.00 O ATOM 1158 CB ASN A 74 7.512 -7.261 3.728 1.00 0.00 C ATOM 1159 CG ASN A 74 7.341 -8.399 4.716 1.00 0.00 C ATOM 1160 OD1 ASN A 74 6.963 -9.509 4.341 1.00 0.00 O ATOM 1161 ND2 ASN A 74 7.618 -8.127 5.986 1.00 0.00 N ATOM 0 H ASN A 74 9.669 -5.670 4.601 1.00 0.00 H new ATOM 0 HA ASN A 74 9.329 -8.085 2.929 1.00 0.00 H new ATOM 0 HB2 ASN A 74 7.187 -6.329 4.191 1.00 0.00 H new ATOM 0 HB3 ASN A 74 6.866 -7.431 2.867 1.00 0.00 H new ATOM 0 HD21 ASN A 74 7.520 -8.853 6.696 1.00 0.00 H new ATOM 0 HD22 ASN A 74 7.928 -7.192 6.251 1.00 0.00 H new ATOM 1168 N SER A 75 8.677 -6.651 0.889 1.00 0.00 N ATOM 1169 CA SER A 75 8.698 -5.838 -0.321 1.00 0.00 C ATOM 1170 C SER A 75 7.425 -6.045 -1.136 1.00 0.00 C ATOM 1171 O SER A 75 7.269 -7.059 -1.818 1.00 0.00 O ATOM 1172 CB SER A 75 9.923 -6.181 -1.170 1.00 0.00 C ATOM 1173 OG SER A 75 9.934 -7.554 -1.518 1.00 0.00 O ATOM 0 H SER A 75 8.379 -7.616 0.744 1.00 0.00 H new ATOM 0 HA SER A 75 8.753 -4.790 -0.025 1.00 0.00 H new ATOM 0 HB2 SER A 75 9.924 -5.573 -2.075 1.00 0.00 H new ATOM 0 HB3 SER A 75 10.831 -5.935 -0.620 1.00 0.00 H new ATOM 0 HG SER A 75 9.039 -7.824 -1.812 1.00 0.00 H new ATOM 1179 N LEU A 76 6.519 -5.077 -1.061 1.00 0.00 N ATOM 1180 CA LEU A 76 5.258 -5.151 -1.792 1.00 0.00 C ATOM 1181 C LEU A 76 5.307 -4.290 -3.050 1.00 0.00 C ATOM 1182 O LEU A 76 6.319 -3.651 -3.339 1.00 0.00 O ATOM 1183 CB LEU A 76 4.101 -4.703 -0.898 1.00 0.00 C ATOM 1184 CG LEU A 76 3.648 -5.703 0.166 1.00 0.00 C ATOM 1185 CD1 LEU A 76 2.797 -5.012 1.220 1.00 0.00 C ATOM 1186 CD2 LEU A 76 2.880 -6.851 -0.474 1.00 0.00 C ATOM 0 H LEU A 76 6.633 -4.232 -0.502 1.00 0.00 H new ATOM 0 HA LEU A 76 5.099 -6.187 -2.089 1.00 0.00 H new ATOM 0 HB2 LEU A 76 4.391 -3.778 -0.399 1.00 0.00 H new ATOM 0 HB3 LEU A 76 3.247 -4.468 -1.534 1.00 0.00 H new ATOM 0 HG LEU A 76 4.533 -6.111 0.654 1.00 0.00 H new ATOM 0 HD11 LEU A 76 2.484 -5.739 1.969 1.00 0.00 H new ATOM 0 HD12 LEU A 76 3.380 -4.225 1.700 1.00 0.00 H new ATOM 0 HD13 LEU A 76 1.917 -4.575 0.748 1.00 0.00 H new ATOM 0 HD21 LEU A 76 2.565 -7.553 0.298 1.00 0.00 H new ATOM 0 HD22 LEU A 76 2.002 -6.460 -0.988 1.00 0.00 H new ATOM 0 HD23 LEU A 76 3.522 -7.363 -1.191 1.00 0.00 H new ATOM 1198 N TYR A 77 4.207 -4.276 -3.794 1.00 0.00 N ATOM 1199 CA TYR A 77 4.124 -3.494 -5.022 1.00 0.00 C ATOM 1200 C TYR A 77 2.687 -3.063 -5.298 1.00 0.00 C ATOM 1201 O TYR A 77 1.745 -3.825 -5.077 1.00 0.00 O ATOM 1202 CB TYR A 77 4.662 -4.302 -6.204 1.00 0.00 C ATOM 1203 CG TYR A 77 3.999 -5.652 -6.367 1.00 0.00 C ATOM 1204 CD1 TYR A 77 4.465 -6.764 -5.677 1.00 0.00 C ATOM 1205 CD2 TYR A 77 2.906 -5.814 -7.210 1.00 0.00 C ATOM 1206 CE1 TYR A 77 3.863 -7.999 -5.823 1.00 0.00 C ATOM 1207 CE2 TYR A 77 2.297 -7.045 -7.360 1.00 0.00 C ATOM 1208 CZ TYR A 77 2.779 -8.134 -6.665 1.00 0.00 C ATOM 1209 OH TYR A 77 2.176 -9.362 -6.814 1.00 0.00 O ATOM 0 H TYR A 77 3.360 -4.797 -3.568 1.00 0.00 H new ATOM 0 HA TYR A 77 4.734 -2.600 -4.894 1.00 0.00 H new ATOM 0 HB2 TYR A 77 4.525 -3.726 -7.119 1.00 0.00 H new ATOM 0 HB3 TYR A 77 5.735 -4.447 -6.076 1.00 0.00 H new ATOM 0 HD1 TYR A 77 5.312 -6.661 -5.015 1.00 0.00 H new ATOM 0 HD2 TYR A 77 2.526 -4.964 -7.757 1.00 0.00 H new ATOM 0 HE1 TYR A 77 4.239 -8.854 -5.281 1.00 0.00 H new ATOM 0 HE2 TYR A 77 1.448 -7.154 -8.018 1.00 0.00 H new ATOM 0 HH TYR A 77 1.427 -9.285 -7.441 1.00 0.00 H new ATOM 1219 N VAL A 78 2.526 -1.836 -5.783 1.00 0.00 N ATOM 1220 CA VAL A 78 1.205 -1.303 -6.091 1.00 0.00 C ATOM 1221 C VAL A 78 0.963 -1.270 -7.596 1.00 0.00 C ATOM 1222 O VAL A 78 1.857 -0.930 -8.373 1.00 0.00 O ATOM 1223 CB VAL A 78 1.026 0.117 -5.522 1.00 0.00 C ATOM 1224 CG1 VAL A 78 -0.197 0.786 -6.130 1.00 0.00 C ATOM 1225 CG2 VAL A 78 0.922 0.074 -4.005 1.00 0.00 C ATOM 0 H VAL A 78 3.295 -1.192 -5.971 1.00 0.00 H new ATOM 0 HA VAL A 78 0.479 -1.968 -5.624 1.00 0.00 H new ATOM 0 HB VAL A 78 1.903 0.708 -5.786 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -0.307 1.788 -5.716 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -0.076 0.851 -7.211 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -1.086 0.198 -5.899 1.00 0.00 H new ATOM 0 HG21 VAL A 78 0.796 1.086 -3.620 1.00 0.00 H new ATOM 0 HG22 VAL A 78 0.064 -0.534 -3.716 1.00 0.00 H new ATOM 0 HG23 VAL A 78 1.831 -0.361 -3.590 1.00 0.00 H new ATOM 1235 N LEU A 79 -0.251 -1.623 -8.002 1.00 0.00 N ATOM 1236 CA LEU A 79 -0.612 -1.634 -9.416 1.00 0.00 C ATOM 1237 C LEU A 79 -1.881 -0.823 -9.660 1.00 0.00 C ATOM 1238 O LEU A 79 -2.981 -1.250 -9.306 1.00 0.00 O ATOM 1239 CB LEU A 79 -0.810 -3.071 -9.902 1.00 0.00 C ATOM 1240 CG LEU A 79 0.316 -4.051 -9.571 1.00 0.00 C ATOM 1241 CD1 LEU A 79 -0.122 -5.480 -9.851 1.00 0.00 C ATOM 1242 CD2 LEU A 79 1.570 -3.711 -10.364 1.00 0.00 C ATOM 0 H LEU A 79 -1.002 -1.905 -7.373 1.00 0.00 H new ATOM 0 HA LEU A 79 0.203 -1.177 -9.977 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -1.736 -3.454 -9.474 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -0.943 -3.053 -10.984 1.00 0.00 H new ATOM 0 HG LEU A 79 0.547 -3.964 -8.509 1.00 0.00 H new ATOM 0 HD11 LEU A 79 0.692 -6.164 -9.610 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -0.992 -5.721 -9.239 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -0.381 -5.581 -10.905 1.00 0.00 H new ATOM 0 HD21 LEU A 79 2.361 -4.419 -10.116 1.00 0.00 H new ATOM 0 HD22 LEU A 79 1.353 -3.769 -11.431 1.00 0.00 H new ATOM 0 HD23 LEU A 79 1.896 -2.701 -10.115 1.00 0.00 H new ATOM 1254 N THR A 80 -1.722 0.348 -10.269 1.00 0.00 N ATOM 1255 CA THR A 80 -2.855 1.217 -10.561 1.00 0.00 C ATOM 1256 C THR A 80 -3.231 1.152 -12.037 1.00 0.00 C ATOM 1257 O THR A 80 -2.669 1.854 -12.877 1.00 0.00 O ATOM 1258 CB THR A 80 -2.552 2.680 -10.184 1.00 0.00 C ATOM 1259 OG1 THR A 80 -1.424 3.154 -10.928 1.00 0.00 O ATOM 1260 CG2 THR A 80 -2.274 2.808 -8.694 1.00 0.00 C ATOM 0 H THR A 80 -0.819 0.716 -10.569 1.00 0.00 H new ATOM 0 HA THR A 80 -3.691 0.860 -9.960 1.00 0.00 H new ATOM 0 HB THR A 80 -3.426 3.284 -10.427 1.00 0.00 H new ATOM 0 HG1 THR A 80 -1.502 2.863 -11.861 1.00 0.00 H new ATOM 0 HG21 THR A 80 -2.063 3.849 -8.451 1.00 0.00 H new ATOM 0 HG22 THR A 80 -3.146 2.474 -8.131 1.00 0.00 H new ATOM 0 HG23 THR A 80 -1.414 2.192 -8.430 1.00 0.00 H new ATOM 1268 N PRO A 81 -4.206 0.290 -12.362 1.00 0.00 N ATOM 1269 CA PRO A 81 -4.680 0.114 -13.738 1.00 0.00 C ATOM 1270 C PRO A 81 -5.450 1.328 -14.246 1.00 0.00 C ATOM 1271 O PRO A 81 -5.220 1.800 -15.359 1.00 0.00 O ATOM 1272 CB PRO A 81 -5.603 -1.104 -13.642 1.00 0.00 C ATOM 1273 CG PRO A 81 -6.064 -1.118 -12.225 1.00 0.00 C ATOM 1274 CD PRO A 81 -4.920 -0.579 -11.412 1.00 0.00 C ATOM 0 HA PRO A 81 -3.856 -0.013 -14.440 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -6.443 -1.019 -14.331 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -5.074 -2.023 -13.896 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -6.956 -0.504 -12.099 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -6.325 -2.128 -11.910 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -5.272 -0.022 -10.544 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -4.280 -1.379 -11.040 1.00 0.00 H new ATOM 1282 N ASP A 82 -6.365 1.829 -13.422 1.00 0.00 N ATOM 1283 CA ASP A 82 -7.168 2.989 -13.788 1.00 0.00 C ATOM 1284 C ASP A 82 -6.331 4.264 -13.748 1.00 0.00 C ATOM 1285 O ASP A 82 -6.145 4.929 -14.768 1.00 0.00 O ATOM 1286 CB ASP A 82 -8.367 3.123 -12.847 1.00 0.00 C ATOM 1287 CG ASP A 82 -9.407 2.043 -13.078 1.00 0.00 C ATOM 1288 OD1 ASP A 82 -9.033 0.852 -13.088 1.00 0.00 O ATOM 1289 OD2 ASP A 82 -10.594 2.390 -13.248 1.00 0.00 O ATOM 0 H ASP A 82 -6.568 1.450 -12.497 1.00 0.00 H new ATOM 0 HA ASP A 82 -7.528 2.844 -14.806 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -8.022 3.076 -11.814 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -8.827 4.102 -12.985 1.00 0.00 H new ATOM 1294 N LEU A 83 -5.830 4.600 -12.565 1.00 0.00 N ATOM 1295 CA LEU A 83 -5.013 5.796 -12.392 1.00 0.00 C ATOM 1296 C LEU A 83 -3.902 5.853 -13.435 1.00 0.00 C ATOM 1297 O LEU A 83 -3.098 4.931 -13.572 1.00 0.00 O ATOM 1298 CB LEU A 83 -4.410 5.827 -10.986 1.00 0.00 C ATOM 1299 CG LEU A 83 -4.003 7.204 -10.460 1.00 0.00 C ATOM 1300 CD1 LEU A 83 -5.234 8.049 -10.170 1.00 0.00 C ATOM 1301 CD2 LEU A 83 -3.143 7.065 -9.213 1.00 0.00 C ATOM 0 H LEU A 83 -5.975 4.061 -11.711 1.00 0.00 H new ATOM 0 HA LEU A 83 -5.655 6.666 -12.525 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -5.132 5.395 -10.293 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -3.532 5.182 -10.975 1.00 0.00 H new ATOM 0 HG LEU A 83 -3.415 7.707 -11.228 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -4.925 9.025 -9.797 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -5.812 8.177 -11.086 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -5.848 7.551 -9.420 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -2.862 8.055 -8.852 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -3.706 6.543 -8.439 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -2.244 6.498 -9.453 1.00 0.00 H new