USER MOD reduce.3.24.130724 H: found=0, std=0, add=709, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 709 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 78 ASN : amide:sc= -1.71 K(o=-1.8,f=-6.5!) USER MOD Set 1.2: A 97 GLN : amide:sc= -0.0591 K(o=-1.8,f=-3.7) USER MOD Set 2.1: A 19 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 64 GLN : amide:sc= 0 K(o=0,f=-0.8) USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 HIS : no HE2:sc= -2.68! C(o=-2.7!,f=-9.9!) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 HIS : no HD1:sc= 0 X(o=0,f=-0.093) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 SER OG : rot 180:sc= -0.0472 USER MOD Single : A 65 THR OG1 : rot -113:sc= -1.07! USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 72 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 73 GLN : amide:sc= -3.55! C(o=-3.6!,f=-8.5!) USER MOD Single : A 83 THR OG1 : rot 94:sc= 0.77 USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 THR OG1 : rot -87:sc= 0.804 USER MOD Single : A 87 TYR OH : rot 180:sc= 0 USER MOD Single : A 91 GLN : amide:sc= -1.94! C(o=-1.9!,f=-7.8!) USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 96 GLN : amide:sc= 0 X(o=0,f=-0.12) USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 104 CYS SG : rot 180:sc= -0.0716 USER MOD Single : A 110 ASN : amide:sc= -1.43! C(o=-1.4!,f=-5.6!) USER MOD Single : A 111 MET CE :methyl -115:sc= -1.7 (180deg=-3.5!) USER MOD ----------------------------------------------------------------- ATOM 83 N TYR A 9 -9.318 -12.745 4.547 1.00 0.00 N ATOM 84 CA TYR A 9 -9.208 -13.401 3.255 1.00 0.00 C ATOM 85 C TYR A 9 -8.934 -14.897 3.422 1.00 0.00 C ATOM 86 O TYR A 9 -8.616 -15.354 4.519 1.00 0.00 O ATOM 87 CB TYR A 9 -8.016 -12.752 2.551 1.00 0.00 C ATOM 88 CG TYR A 9 -8.355 -11.445 1.830 1.00 0.00 C ATOM 89 CD1 TYR A 9 -8.916 -11.478 0.570 1.00 0.00 C ATOM 90 CD2 TYR A 9 -8.099 -10.234 2.441 1.00 0.00 C ATOM 91 CE1 TYR A 9 -9.236 -10.249 -0.108 1.00 0.00 C ATOM 92 CE2 TYR A 9 -8.419 -9.005 1.762 1.00 0.00 C ATOM 93 CZ TYR A 9 -8.972 -9.073 0.522 1.00 0.00 C ATOM 94 OH TYR A 9 -9.273 -7.911 -0.120 1.00 0.00 O ATOM 0 HA TYR A 9 -10.134 -13.294 2.691 1.00 0.00 H new ATOM 0 HB2 TYR A 9 -7.235 -12.558 3.286 1.00 0.00 H new ATOM 0 HB3 TYR A 9 -7.605 -13.458 1.829 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -9.115 -12.426 0.092 1.00 0.00 H new ATOM 0 HD2 TYR A 9 -7.659 -10.208 3.427 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -9.676 -10.261 -1.094 1.00 0.00 H new ATOM 0 HE2 TYR A 9 -8.224 -8.050 2.228 1.00 0.00 H new ATOM 0 HH TYR A 9 -9.032 -7.151 0.449 1.00 0.00 H new ATOM 104 N ILE A 10 -9.064 -15.618 2.318 1.00 0.00 N ATOM 105 CA ILE A 10 -8.834 -17.052 2.329 1.00 0.00 C ATOM 106 C ILE A 10 -7.328 -17.322 2.336 1.00 0.00 C ATOM 107 O ILE A 10 -6.890 -18.409 2.714 1.00 0.00 O ATOM 108 CB ILE A 10 -9.573 -17.722 1.169 1.00 0.00 C ATOM 109 CG1 ILE A 10 -9.291 -17.000 -0.151 1.00 0.00 C ATOM 110 CG2 ILE A 10 -11.071 -17.823 1.458 1.00 0.00 C ATOM 111 CD1 ILE A 10 -9.229 -17.991 -1.316 1.00 0.00 C ATOM 0 H ILE A 10 -9.326 -15.235 1.410 1.00 0.00 H new ATOM 0 HA ILE A 10 -9.243 -17.497 3.236 1.00 0.00 H new ATOM 0 HB ILE A 10 -9.196 -18.740 1.067 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -10.070 -16.261 -0.339 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -8.348 -16.458 -0.079 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -11.572 -18.303 0.617 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -11.228 -18.414 2.360 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -11.482 -16.824 1.603 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -9.028 -17.452 -2.242 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -8.433 -18.714 -1.137 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -10.182 -18.513 -1.400 1.00 0.00 H new ATOM 123 N PHE A 11 -6.577 -16.316 1.916 1.00 0.00 N ATOM 124 CA PHE A 11 -5.129 -16.431 1.870 1.00 0.00 C ATOM 125 C PHE A 11 -4.484 -15.726 3.065 1.00 0.00 C ATOM 126 O PHE A 11 -5.114 -14.889 3.710 1.00 0.00 O ATOM 127 CB PHE A 11 -4.667 -15.750 0.580 1.00 0.00 C ATOM 128 CG PHE A 11 -5.245 -14.348 0.375 1.00 0.00 C ATOM 129 CD1 PHE A 11 -4.734 -13.294 1.065 1.00 0.00 C ATOM 130 CD2 PHE A 11 -6.270 -14.157 -0.497 1.00 0.00 C ATOM 131 CE1 PHE A 11 -5.270 -11.994 0.875 1.00 0.00 C ATOM 132 CE2 PHE A 11 -6.807 -12.857 -0.688 1.00 0.00 C ATOM 133 CZ PHE A 11 -6.295 -11.802 0.002 1.00 0.00 C ATOM 0 H PHE A 11 -6.943 -15.417 1.604 1.00 0.00 H new ATOM 0 HA PHE A 11 -4.838 -17.481 1.902 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -3.579 -15.686 0.585 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -4.946 -16.375 -0.269 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -3.920 -13.446 1.758 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -6.676 -14.995 -1.045 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -4.864 -11.157 1.424 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -7.622 -12.705 -1.381 1.00 0.00 H new ATOM 0 HZ PHE A 11 -6.702 -10.812 -0.144 1.00 0.00 H new ATOM 143 N PRO A 12 -3.204 -16.099 3.330 1.00 0.00 N ATOM 144 CA PRO A 12 -2.467 -15.512 4.436 1.00 0.00 C ATOM 145 C PRO A 12 -2.019 -14.087 4.101 1.00 0.00 C ATOM 146 O PRO A 12 -1.266 -13.878 3.151 1.00 0.00 O ATOM 147 CB PRO A 12 -1.304 -16.459 4.682 1.00 0.00 C ATOM 148 CG PRO A 12 -1.167 -17.286 3.415 1.00 0.00 C ATOM 149 CD PRO A 12 -2.426 -17.087 2.589 1.00 0.00 C ATOM 0 HA PRO A 12 -3.073 -15.406 5.336 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -0.387 -15.907 4.889 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -1.495 -17.096 5.546 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -0.287 -16.976 2.851 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -1.034 -18.340 3.660 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -2.189 -16.733 1.586 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -2.977 -18.021 2.476 1.00 0.00 H new ATOM 157 N HIS A 13 -2.499 -13.147 4.900 1.00 0.00 N ATOM 158 CA HIS A 13 -2.157 -11.748 4.701 1.00 0.00 C ATOM 159 C HIS A 13 -1.667 -11.146 6.019 1.00 0.00 C ATOM 160 O HIS A 13 -1.855 -11.736 7.082 1.00 0.00 O ATOM 161 CB HIS A 13 -3.336 -10.981 4.100 1.00 0.00 C ATOM 162 CG HIS A 13 -4.246 -10.350 5.127 1.00 0.00 C ATOM 163 ND1 HIS A 13 -4.352 -10.822 6.424 1.00 0.00 N ATOM 164 CD2 HIS A 13 -5.087 -9.280 5.036 1.00 0.00 C ATOM 165 CE1 HIS A 13 -5.223 -10.063 7.074 1.00 0.00 C ATOM 166 NE2 HIS A 13 -5.677 -9.109 6.212 1.00 0.00 N ATOM 0 H HIS A 13 -3.122 -13.326 5.687 1.00 0.00 H new ATOM 0 HA HIS A 13 -1.342 -11.668 3.981 1.00 0.00 H new ATOM 0 HB2 HIS A 13 -2.952 -10.201 3.442 1.00 0.00 H new ATOM 0 HB3 HIS A 13 -3.921 -11.661 3.480 1.00 0.00 H new ATOM 0 HD1 HIS A 13 -3.846 -11.618 6.813 1.00 0.00 H new ATOM 0 HD2 HIS A 13 -5.246 -8.675 4.156 1.00 0.00 H new ATOM 0 HE1 HIS A 13 -5.521 -10.180 8.106 1.00 0.00 H new ATOM 174 N ALA A 14 -1.050 -9.979 5.906 1.00 0.00 N ATOM 175 CA ALA A 14 -0.533 -9.291 7.076 1.00 0.00 C ATOM 176 C ALA A 14 -1.057 -7.853 7.090 1.00 0.00 C ATOM 177 O ALA A 14 -0.580 -7.008 6.334 1.00 0.00 O ATOM 178 CB ALA A 14 0.996 -9.354 7.072 1.00 0.00 C ATOM 0 H ALA A 14 -0.897 -9.493 5.022 1.00 0.00 H new ATOM 0 HA ALA A 14 -0.877 -9.776 7.989 1.00 0.00 H new ATOM 0 HB1 ALA A 14 1.384 -8.838 7.950 1.00 0.00 H new ATOM 0 HB2 ALA A 14 1.317 -10.395 7.092 1.00 0.00 H new ATOM 0 HB3 ALA A 14 1.378 -8.874 6.171 1.00 0.00 H new ATOM 184 N ARG A 15 -2.030 -7.621 7.959 1.00 0.00 N ATOM 185 CA ARG A 15 -2.624 -6.299 8.081 1.00 0.00 C ATOM 186 C ARG A 15 -1.913 -5.498 9.173 1.00 0.00 C ATOM 187 O ARG A 15 -2.253 -5.608 10.349 1.00 0.00 O ATOM 188 CB ARG A 15 -4.113 -6.395 8.415 1.00 0.00 C ATOM 189 CG ARG A 15 -4.972 -6.025 7.203 1.00 0.00 C ATOM 190 CD ARG A 15 -6.359 -5.547 7.640 1.00 0.00 C ATOM 191 NE ARG A 15 -7.404 -6.383 7.008 1.00 0.00 N ATOM 192 CZ ARG A 15 -8.668 -5.984 6.812 1.00 0.00 C ATOM 193 NH1 ARG A 15 -9.052 -4.759 7.197 1.00 0.00 N ATOM 194 NH2 ARG A 15 -9.549 -6.810 6.230 1.00 0.00 N ATOM 0 H ARG A 15 -2.422 -8.325 8.585 1.00 0.00 H new ATOM 0 HA ARG A 15 -2.510 -5.793 7.122 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -4.352 -7.408 8.739 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -4.346 -5.731 9.247 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -4.478 -5.242 6.628 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -5.071 -6.889 6.546 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -6.446 -5.600 8.725 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -6.498 -4.503 7.360 1.00 0.00 H new ATOM 0 HE ARG A 15 -7.146 -7.321 6.703 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -8.382 -4.130 7.639 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -10.014 -4.456 7.048 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -9.257 -7.742 5.936 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -10.511 -6.506 6.081 1.00 0.00 H new ATOM 208 N ILE A 16 -0.940 -4.707 8.743 1.00 0.00 N ATOM 209 CA ILE A 16 -0.179 -3.886 9.669 1.00 0.00 C ATOM 210 C ILE A 16 -0.548 -2.415 9.463 1.00 0.00 C ATOM 211 O ILE A 16 -1.116 -2.053 8.434 1.00 0.00 O ATOM 212 CB ILE A 16 1.318 -4.169 9.530 1.00 0.00 C ATOM 213 CG1 ILE A 16 1.709 -5.438 10.292 1.00 0.00 C ATOM 214 CG2 ILE A 16 2.148 -2.960 9.966 1.00 0.00 C ATOM 215 CD1 ILE A 16 1.324 -6.691 9.503 1.00 0.00 C ATOM 0 H ILE A 16 -0.662 -4.618 7.766 1.00 0.00 H new ATOM 0 HA ILE A 16 -0.434 -4.138 10.698 1.00 0.00 H new ATOM 0 HB ILE A 16 1.536 -4.345 8.477 1.00 0.00 H new ATOM 0 HG12 ILE A 16 2.783 -5.438 10.480 1.00 0.00 H new ATOM 0 HG13 ILE A 16 1.215 -5.450 11.264 1.00 0.00 H new ATOM 0 HG21 ILE A 16 3.208 -3.188 9.857 1.00 0.00 H new ATOM 0 HG22 ILE A 16 1.896 -2.102 9.343 1.00 0.00 H new ATOM 0 HG23 ILE A 16 1.932 -2.727 11.009 1.00 0.00 H new ATOM 0 HD11 ILE A 16 1.613 -7.579 10.066 1.00 0.00 H new ATOM 0 HD12 ILE A 16 0.247 -6.700 9.338 1.00 0.00 H new ATOM 0 HD13 ILE A 16 1.838 -6.688 8.542 1.00 0.00 H new ATOM 227 N LYS A 17 -0.212 -1.608 10.459 1.00 0.00 N ATOM 228 CA LYS A 17 -0.501 -0.186 10.400 1.00 0.00 C ATOM 229 C LYS A 17 0.806 0.589 10.214 1.00 0.00 C ATOM 230 O LYS A 17 1.890 0.014 10.301 1.00 0.00 O ATOM 231 CB LYS A 17 -1.305 0.249 11.627 1.00 0.00 C ATOM 232 CG LYS A 17 -0.528 -0.025 12.916 1.00 0.00 C ATOM 233 CD LYS A 17 -0.944 0.945 14.024 1.00 0.00 C ATOM 234 CE LYS A 17 -1.170 0.204 15.344 1.00 0.00 C ATOM 235 NZ LYS A 17 -2.451 -0.536 15.311 1.00 0.00 N ATOM 0 H LYS A 17 0.258 -1.913 11.312 1.00 0.00 H new ATOM 0 HA LYS A 17 -1.131 0.039 9.539 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -1.537 1.312 11.557 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -2.256 -0.284 11.651 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -0.705 -1.051 13.240 1.00 0.00 H new ATOM 0 HG3 LYS A 17 0.541 0.070 12.727 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -0.173 1.704 14.156 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -1.857 1.465 13.734 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -0.348 -0.489 15.524 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -1.175 0.915 16.170 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -2.588 -1.033 16.214 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -3.234 0.132 15.161 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -2.432 -1.228 14.535 1.00 0.00 H new ATOM 249 N ILE A 18 0.660 1.881 9.962 1.00 0.00 N ATOM 250 CA ILE A 18 1.815 2.740 9.763 1.00 0.00 C ATOM 251 C ILE A 18 1.754 3.905 10.754 1.00 0.00 C ATOM 252 O ILE A 18 0.832 4.717 10.706 1.00 0.00 O ATOM 253 CB ILE A 18 1.911 3.179 8.301 1.00 0.00 C ATOM 254 CG1 ILE A 18 1.654 2.003 7.357 1.00 0.00 C ATOM 255 CG2 ILE A 18 3.253 3.858 8.019 1.00 0.00 C ATOM 256 CD1 ILE A 18 2.885 1.098 7.262 1.00 0.00 C ATOM 0 H ILE A 18 -0.241 2.354 9.891 1.00 0.00 H new ATOM 0 HA ILE A 18 2.736 2.195 9.968 1.00 0.00 H new ATOM 0 HB ILE A 18 1.131 3.917 8.115 1.00 0.00 H new ATOM 0 HG12 ILE A 18 0.800 1.426 7.713 1.00 0.00 H new ATOM 0 HG13 ILE A 18 1.395 2.377 6.366 1.00 0.00 H new ATOM 0 HG21 ILE A 18 3.295 4.160 6.973 1.00 0.00 H new ATOM 0 HG22 ILE A 18 3.357 4.737 8.655 1.00 0.00 H new ATOM 0 HG23 ILE A 18 4.064 3.161 8.228 1.00 0.00 H new ATOM 0 HD11 ILE A 18 2.676 0.270 6.585 1.00 0.00 H new ATOM 0 HD12 ILE A 18 3.730 1.672 6.883 1.00 0.00 H new ATOM 0 HD13 ILE A 18 3.126 0.707 8.250 1.00 0.00 H new ATOM 268 N THR A 19 2.749 3.950 11.627 1.00 0.00 N ATOM 269 CA THR A 19 2.821 5.002 12.627 1.00 0.00 C ATOM 270 C THR A 19 4.085 5.840 12.428 1.00 0.00 C ATOM 271 O THR A 19 5.137 5.309 12.076 1.00 0.00 O ATOM 272 CB THR A 19 2.734 4.349 14.007 1.00 0.00 C ATOM 273 OG1 THR A 19 2.674 2.953 13.728 1.00 0.00 O ATOM 274 CG2 THR A 19 1.410 4.646 14.714 1.00 0.00 C ATOM 0 H THR A 19 3.513 3.275 11.663 1.00 0.00 H new ATOM 0 HA THR A 19 1.989 5.699 12.530 1.00 0.00 H new ATOM 0 HB THR A 19 3.561 4.698 14.626 1.00 0.00 H new ATOM 0 HG1 THR A 19 2.618 2.453 14.569 1.00 0.00 H new ATOM 0 HG21 THR A 19 1.401 4.159 15.689 1.00 0.00 H new ATOM 0 HG22 THR A 19 1.301 5.723 14.845 1.00 0.00 H new ATOM 0 HG23 THR A 19 0.583 4.269 14.112 1.00 0.00 H new ATOM 449 N LEU A 32 5.465 9.491 5.889 1.00 0.00 N ATOM 450 CA LEU A 32 5.575 8.092 6.267 1.00 0.00 C ATOM 451 C LEU A 32 6.843 7.500 5.649 1.00 0.00 C ATOM 452 O LEU A 32 7.795 7.182 6.359 1.00 0.00 O ATOM 453 CB LEU A 32 4.298 7.335 5.897 1.00 0.00 C ATOM 454 CG LEU A 32 2.989 7.930 6.421 1.00 0.00 C ATOM 455 CD1 LEU A 32 1.781 7.245 5.780 1.00 0.00 C ATOM 456 CD2 LEU A 32 2.936 7.878 7.948 1.00 0.00 C ATOM 0 HA LEU A 32 5.672 7.996 7.348 1.00 0.00 H new ATOM 0 HB2 LEU A 32 4.237 7.275 4.810 1.00 0.00 H new ATOM 0 HB3 LEU A 32 4.384 6.314 6.269 1.00 0.00 H new ATOM 0 HG LEU A 32 2.952 8.981 6.135 1.00 0.00 H new ATOM 0 HD11 LEU A 32 0.864 7.686 6.169 1.00 0.00 H new ATOM 0 HD12 LEU A 32 1.818 7.379 4.699 1.00 0.00 H new ATOM 0 HD13 LEU A 32 1.800 6.181 6.014 1.00 0.00 H new ATOM 0 HD21 LEU A 32 1.996 8.307 8.294 1.00 0.00 H new ATOM 0 HD22 LEU A 32 3.006 6.842 8.279 1.00 0.00 H new ATOM 0 HD23 LEU A 32 3.768 8.448 8.361 1.00 0.00 H new ATOM 468 N GLY A 33 6.814 7.371 4.330 1.00 0.00 N ATOM 469 CA GLY A 33 7.949 6.823 3.607 1.00 0.00 C ATOM 470 C GLY A 33 7.630 5.430 3.059 1.00 0.00 C ATOM 471 O GLY A 33 8.034 4.423 3.638 1.00 0.00 O ATOM 0 H GLY A 33 6.023 7.637 3.744 1.00 0.00 H new ATOM 0 HA2 GLY A 33 8.217 7.488 2.786 1.00 0.00 H new ATOM 0 HA3 GLY A 33 8.814 6.768 4.268 1.00 0.00 H new ATOM 475 N ILE A 34 6.907 5.419 1.949 1.00 0.00 N ATOM 476 CA ILE A 34 6.528 4.166 1.316 1.00 0.00 C ATOM 477 C ILE A 34 6.282 4.408 -0.175 1.00 0.00 C ATOM 478 O ILE A 34 5.622 5.375 -0.550 1.00 0.00 O ATOM 479 CB ILE A 34 5.336 3.538 2.042 1.00 0.00 C ATOM 480 CG1 ILE A 34 5.013 2.156 1.470 1.00 0.00 C ATOM 481 CG2 ILE A 34 4.122 4.469 2.011 1.00 0.00 C ATOM 482 CD1 ILE A 34 4.128 1.359 2.431 1.00 0.00 C ATOM 0 H ILE A 34 6.574 6.256 1.472 1.00 0.00 H new ATOM 0 HA ILE A 34 7.337 3.440 1.393 1.00 0.00 H new ATOM 0 HB ILE A 34 5.608 3.399 3.088 1.00 0.00 H new ATOM 0 HG12 ILE A 34 4.508 2.265 0.510 1.00 0.00 H new ATOM 0 HG13 ILE A 34 5.938 1.610 1.284 1.00 0.00 H new ATOM 0 HG21 ILE A 34 3.289 3.999 2.534 1.00 0.00 H new ATOM 0 HG22 ILE A 34 4.373 5.410 2.501 1.00 0.00 H new ATOM 0 HG23 ILE A 34 3.838 4.662 0.977 1.00 0.00 H new ATOM 0 HD11 ILE A 34 3.913 0.381 2.001 1.00 0.00 H new ATOM 0 HD12 ILE A 34 4.646 1.232 3.382 1.00 0.00 H new ATOM 0 HD13 ILE A 34 3.194 1.896 2.596 1.00 0.00 H new ATOM 494 N ARG A 35 6.825 3.511 -0.984 1.00 0.00 N ATOM 495 CA ARG A 35 6.674 3.614 -2.425 1.00 0.00 C ATOM 496 C ARG A 35 5.954 2.380 -2.973 1.00 0.00 C ATOM 497 O ARG A 35 6.536 1.301 -3.052 1.00 0.00 O ATOM 498 CB ARG A 35 8.033 3.750 -3.115 1.00 0.00 C ATOM 499 CG ARG A 35 8.706 5.073 -2.745 1.00 0.00 C ATOM 500 CD ARG A 35 8.324 6.178 -3.731 1.00 0.00 C ATOM 501 NE ARG A 35 9.519 6.977 -4.084 1.00 0.00 N ATOM 502 CZ ARG A 35 9.482 8.102 -4.809 1.00 0.00 C ATOM 503 NH1 ARG A 35 8.311 8.570 -5.263 1.00 0.00 N ATOM 504 NH2 ARG A 35 10.616 8.762 -5.081 1.00 0.00 N ATOM 0 H ARG A 35 7.371 2.709 -0.669 1.00 0.00 H new ATOM 0 HA ARG A 35 6.084 4.507 -2.632 1.00 0.00 H new ATOM 0 HB2 ARG A 35 8.676 2.918 -2.827 1.00 0.00 H new ATOM 0 HB3 ARG A 35 7.903 3.694 -4.196 1.00 0.00 H new ATOM 0 HG2 ARG A 35 8.413 5.364 -1.736 1.00 0.00 H new ATOM 0 HG3 ARG A 35 9.788 4.945 -2.739 1.00 0.00 H new ATOM 0 HD2 ARG A 35 7.890 5.740 -4.630 1.00 0.00 H new ATOM 0 HD3 ARG A 35 7.563 6.822 -3.291 1.00 0.00 H new ATOM 0 HE ARG A 35 10.427 6.650 -3.754 1.00 0.00 H new ATOM 0 HH11 ARG A 35 7.447 8.069 -5.056 1.00 0.00 H new ATOM 0 HH12 ARG A 35 8.284 9.427 -5.815 1.00 0.00 H new ATOM 0 HH21 ARG A 35 11.508 8.407 -4.736 1.00 0.00 H new ATOM 0 HH22 ARG A 35 10.587 9.619 -5.633 1.00 0.00 H new ATOM 518 N ILE A 36 4.695 2.583 -3.338 1.00 0.00 N ATOM 519 CA ILE A 36 3.889 1.501 -3.876 1.00 0.00 C ATOM 520 C ILE A 36 3.638 1.748 -5.365 1.00 0.00 C ATOM 521 O ILE A 36 3.078 2.776 -5.741 1.00 0.00 O ATOM 522 CB ILE A 36 2.608 1.329 -3.057 1.00 0.00 C ATOM 523 CG1 ILE A 36 2.918 0.776 -1.664 1.00 0.00 C ATOM 524 CG2 ILE A 36 1.592 0.463 -3.805 1.00 0.00 C ATOM 525 CD1 ILE A 36 1.662 0.758 -0.790 1.00 0.00 C ATOM 0 H ILE A 36 4.215 3.480 -3.271 1.00 0.00 H new ATOM 0 HA ILE A 36 4.422 0.553 -3.795 1.00 0.00 H new ATOM 0 HB ILE A 36 2.155 2.311 -2.920 1.00 0.00 H new ATOM 0 HG12 ILE A 36 3.320 -0.234 -1.751 1.00 0.00 H new ATOM 0 HG13 ILE A 36 3.687 1.386 -1.190 1.00 0.00 H new ATOM 0 HG21 ILE A 36 0.691 0.356 -3.201 1.00 0.00 H new ATOM 0 HG22 ILE A 36 1.339 0.936 -4.754 1.00 0.00 H new ATOM 0 HG23 ILE A 36 2.021 -0.521 -3.993 1.00 0.00 H new ATOM 0 HD11 ILE A 36 1.909 0.361 0.194 1.00 0.00 H new ATOM 0 HD12 ILE A 36 1.277 1.772 -0.686 1.00 0.00 H new ATOM 0 HD13 ILE A 36 0.904 0.128 -1.255 1.00 0.00 H new ATOM 537 N VAL A 37 4.066 0.789 -6.172 1.00 0.00 N ATOM 538 CA VAL A 37 3.896 0.890 -7.611 1.00 0.00 C ATOM 539 C VAL A 37 2.689 0.050 -8.038 1.00 0.00 C ATOM 540 O VAL A 37 2.602 -1.131 -7.708 1.00 0.00 O ATOM 541 CB VAL A 37 5.188 0.482 -8.322 1.00 0.00 C ATOM 542 CG1 VAL A 37 4.901 -0.010 -9.742 1.00 0.00 C ATOM 543 CG2 VAL A 37 6.194 1.635 -8.334 1.00 0.00 C ATOM 0 H VAL A 37 4.531 -0.062 -5.856 1.00 0.00 H new ATOM 0 HA VAL A 37 3.694 1.922 -7.899 1.00 0.00 H new ATOM 0 HB VAL A 37 5.631 -0.344 -7.765 1.00 0.00 H new ATOM 0 HG11 VAL A 37 5.836 -0.294 -10.225 1.00 0.00 H new ATOM 0 HG12 VAL A 37 4.238 -0.874 -9.701 1.00 0.00 H new ATOM 0 HG13 VAL A 37 4.424 0.786 -10.314 1.00 0.00 H new ATOM 0 HG21 VAL A 37 7.103 1.319 -8.845 1.00 0.00 H new ATOM 0 HG22 VAL A 37 5.762 2.489 -8.856 1.00 0.00 H new ATOM 0 HG23 VAL A 37 6.434 1.919 -7.309 1.00 0.00 H new ATOM 553 N GLY A 38 1.788 0.695 -8.764 1.00 0.00 N ATOM 554 CA GLY A 38 0.589 0.022 -9.239 1.00 0.00 C ATOM 555 C GLY A 38 0.785 -0.507 -10.660 1.00 0.00 C ATOM 556 O GLY A 38 1.910 -0.579 -11.151 1.00 0.00 O ATOM 0 H GLY A 38 1.863 1.675 -9.035 1.00 0.00 H new ATOM 0 HA2 GLY A 38 0.342 -0.803 -8.571 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -0.253 0.713 -9.217 1.00 0.00 H new ATOM 560 N GLY A 39 -0.329 -0.863 -11.283 1.00 0.00 N ATOM 561 CA GLY A 39 -0.294 -1.383 -12.640 1.00 0.00 C ATOM 562 C GLY A 39 0.883 -2.341 -12.830 1.00 0.00 C ATOM 563 O GLY A 39 1.621 -2.238 -13.809 1.00 0.00 O ATOM 0 H GLY A 39 -1.261 -0.802 -10.873 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -1.228 -1.901 -12.859 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -0.214 -0.558 -13.347 1.00 0.00 H new ATOM 567 N LYS A 40 1.022 -3.252 -11.878 1.00 0.00 N ATOM 568 CA LYS A 40 2.099 -4.227 -11.928 1.00 0.00 C ATOM 569 C LYS A 40 1.504 -5.637 -11.926 1.00 0.00 C ATOM 570 O LYS A 40 0.583 -5.925 -11.164 1.00 0.00 O ATOM 571 CB LYS A 40 3.099 -3.982 -10.796 1.00 0.00 C ATOM 572 CG LYS A 40 4.494 -4.478 -11.180 1.00 0.00 C ATOM 573 CD LYS A 40 5.340 -3.343 -11.761 1.00 0.00 C ATOM 574 CE LYS A 40 6.727 -3.846 -12.165 1.00 0.00 C ATOM 575 NZ LYS A 40 7.376 -2.889 -13.090 1.00 0.00 N ATOM 0 H LYS A 40 0.408 -3.336 -11.068 1.00 0.00 H new ATOM 0 HA LYS A 40 2.667 -4.119 -12.852 1.00 0.00 H new ATOM 0 HB2 LYS A 40 3.138 -2.918 -10.565 1.00 0.00 H new ATOM 0 HB3 LYS A 40 2.764 -4.492 -9.893 1.00 0.00 H new ATOM 0 HG2 LYS A 40 4.990 -4.894 -10.303 1.00 0.00 H new ATOM 0 HG3 LYS A 40 4.409 -5.283 -11.910 1.00 0.00 H new ATOM 0 HD2 LYS A 40 4.837 -2.917 -12.629 1.00 0.00 H new ATOM 0 HD3 LYS A 40 5.439 -2.545 -11.026 1.00 0.00 H new ATOM 0 HE2 LYS A 40 7.345 -3.979 -11.277 1.00 0.00 H new ATOM 0 HE3 LYS A 40 6.642 -4.822 -12.643 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 8.317 -3.245 -13.355 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 6.793 -2.783 -13.945 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 7.475 -1.966 -12.621 1.00 0.00 H new ATOM 589 N GLU A 41 2.053 -6.478 -12.790 1.00 0.00 N ATOM 590 CA GLU A 41 1.589 -7.850 -12.898 1.00 0.00 C ATOM 591 C GLU A 41 1.723 -8.564 -11.552 1.00 0.00 C ATOM 592 O GLU A 41 2.634 -8.271 -10.778 1.00 0.00 O ATOM 593 CB GLU A 41 2.346 -8.601 -13.994 1.00 0.00 C ATOM 594 CG GLU A 41 1.503 -8.713 -15.266 1.00 0.00 C ATOM 595 CD GLU A 41 2.178 -9.623 -16.294 1.00 0.00 C ATOM 596 OE1 GLU A 41 2.224 -10.844 -16.030 1.00 0.00 O ATOM 597 OE2 GLU A 41 2.635 -9.077 -17.322 1.00 0.00 O ATOM 0 H GLU A 41 2.816 -6.235 -13.422 1.00 0.00 H new ATOM 0 HA GLU A 41 0.535 -7.835 -13.176 1.00 0.00 H new ATOM 0 HB2 GLU A 41 3.279 -8.083 -14.216 1.00 0.00 H new ATOM 0 HB3 GLU A 41 2.611 -9.597 -13.640 1.00 0.00 H new ATOM 0 HG2 GLU A 41 0.517 -9.106 -15.019 1.00 0.00 H new ATOM 0 HG3 GLU A 41 1.353 -7.722 -15.695 1.00 0.00 H new ATOM 604 N ILE A 42 0.803 -9.486 -11.312 1.00 0.00 N ATOM 605 CA ILE A 42 0.807 -10.244 -10.072 1.00 0.00 C ATOM 606 C ILE A 42 1.171 -11.700 -10.371 1.00 0.00 C ATOM 607 O ILE A 42 0.473 -12.377 -11.123 1.00 0.00 O ATOM 608 CB ILE A 42 -0.527 -10.082 -9.341 1.00 0.00 C ATOM 609 CG1 ILE A 42 -0.967 -8.616 -9.320 1.00 0.00 C ATOM 610 CG2 ILE A 42 -0.457 -10.679 -7.933 1.00 0.00 C ATOM 611 CD1 ILE A 42 -2.423 -8.486 -8.869 1.00 0.00 C ATOM 0 H ILE A 42 0.049 -9.726 -11.956 1.00 0.00 H new ATOM 0 HA ILE A 42 1.566 -9.858 -9.392 1.00 0.00 H new ATOM 0 HB ILE A 42 -1.287 -10.639 -9.890 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -0.323 -8.049 -8.648 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -0.851 -8.184 -10.314 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -1.418 -10.551 -7.435 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -0.222 -11.741 -7.999 1.00 0.00 H new ATOM 0 HG23 ILE A 42 0.319 -10.171 -7.360 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -2.710 -7.434 -8.863 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -3.067 -9.034 -9.557 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -2.531 -8.897 -7.865 1.00 0.00 H new ATOM 623 N PRO A 43 2.294 -12.150 -9.748 1.00 0.00 N ATOM 624 CA PRO A 43 2.760 -13.513 -9.940 1.00 0.00 C ATOM 625 C PRO A 43 1.890 -14.504 -9.162 1.00 0.00 C ATOM 626 O PRO A 43 2.334 -15.079 -8.171 1.00 0.00 O ATOM 627 CB PRO A 43 4.207 -13.502 -9.476 1.00 0.00 C ATOM 628 CG PRO A 43 4.359 -12.260 -8.613 1.00 0.00 C ATOM 629 CD PRO A 43 3.146 -11.376 -8.850 1.00 0.00 C ATOM 0 HA PRO A 43 2.691 -13.840 -10.978 1.00 0.00 H new ATOM 0 HB2 PRO A 43 4.442 -14.403 -8.909 1.00 0.00 H new ATOM 0 HB3 PRO A 43 4.889 -13.473 -10.326 1.00 0.00 H new ATOM 0 HG2 PRO A 43 4.432 -12.533 -7.560 1.00 0.00 H new ATOM 0 HG3 PRO A 43 5.275 -11.727 -8.869 1.00 0.00 H new ATOM 0 HD2 PRO A 43 2.633 -11.148 -7.916 1.00 0.00 H new ATOM 0 HD3 PRO A 43 3.431 -10.424 -9.297 1.00 0.00 H new ATOM 637 N GLY A 44 0.667 -14.672 -9.644 1.00 0.00 N ATOM 638 CA GLY A 44 -0.269 -15.583 -9.007 1.00 0.00 C ATOM 639 C GLY A 44 -1.714 -15.147 -9.256 1.00 0.00 C ATOM 640 O GLY A 44 -2.533 -15.145 -8.338 1.00 0.00 O ATOM 0 H GLY A 44 0.303 -14.193 -10.468 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -0.119 -16.592 -9.391 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -0.076 -15.618 -7.935 1.00 0.00 H new ATOM 644 N HIS A 45 -1.983 -14.788 -10.502 1.00 0.00 N ATOM 645 CA HIS A 45 -3.315 -14.351 -10.883 1.00 0.00 C ATOM 646 C HIS A 45 -3.484 -14.478 -12.399 1.00 0.00 C ATOM 647 O HIS A 45 -2.501 -14.475 -13.138 1.00 0.00 O ATOM 648 CB HIS A 45 -3.589 -12.934 -10.374 1.00 0.00 C ATOM 649 CG HIS A 45 -4.953 -12.759 -9.748 1.00 0.00 C ATOM 650 ND1 HIS A 45 -6.118 -12.712 -10.493 1.00 0.00 N ATOM 651 CD2 HIS A 45 -5.323 -12.623 -8.443 1.00 0.00 C ATOM 652 CE1 HIS A 45 -7.139 -12.552 -9.662 1.00 0.00 C ATOM 653 NE2 HIS A 45 -6.644 -12.497 -8.392 1.00 0.00 N ATOM 0 H HIS A 45 -1.301 -14.791 -11.261 1.00 0.00 H new ATOM 0 HA HIS A 45 -4.059 -14.994 -10.414 1.00 0.00 H new ATOM 0 HB2 HIS A 45 -2.827 -12.669 -9.641 1.00 0.00 H new ATOM 0 HB3 HIS A 45 -3.489 -12.235 -11.204 1.00 0.00 H new ATOM 0 HD2 HIS A 45 -4.655 -12.618 -7.594 1.00 0.00 H new ATOM 0 HE1 HIS A 45 -8.180 -12.478 -9.942 1.00 0.00 H new ATOM 0 HE2 HIS A 45 -7.197 -12.379 -7.543 1.00 0.00 H new ATOM 661 N SER A 46 -4.737 -14.587 -12.816 1.00 0.00 N ATOM 662 CA SER A 46 -5.046 -14.716 -14.230 1.00 0.00 C ATOM 663 C SER A 46 -4.760 -13.396 -14.950 1.00 0.00 C ATOM 664 O SER A 46 -5.681 -12.645 -15.265 1.00 0.00 O ATOM 665 CB SER A 46 -6.504 -15.130 -14.439 1.00 0.00 C ATOM 666 OG SER A 46 -6.619 -16.264 -15.293 1.00 0.00 O ATOM 0 H SER A 46 -5.550 -14.589 -12.200 1.00 0.00 H new ATOM 0 HA SER A 46 -4.411 -15.496 -14.650 1.00 0.00 H new ATOM 0 HB2 SER A 46 -6.959 -15.355 -13.474 1.00 0.00 H new ATOM 0 HB3 SER A 46 -7.060 -14.296 -14.867 1.00 0.00 H new ATOM 0 HG SER A 46 -7.565 -16.498 -15.400 1.00 0.00 H new ATOM 672 N GLY A 47 -3.480 -13.155 -15.191 1.00 0.00 N ATOM 673 CA GLY A 47 -3.061 -11.939 -15.867 1.00 0.00 C ATOM 674 C GLY A 47 -3.758 -10.713 -15.275 1.00 0.00 C ATOM 675 O GLY A 47 -4.567 -10.071 -15.942 1.00 0.00 O ATOM 0 H GLY A 47 -2.719 -13.782 -14.930 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -1.981 -11.824 -15.780 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -3.289 -12.013 -16.930 1.00 0.00 H new ATOM 679 N GLU A 48 -3.420 -10.426 -14.027 1.00 0.00 N ATOM 680 CA GLU A 48 -4.003 -9.288 -13.336 1.00 0.00 C ATOM 681 C GLU A 48 -2.903 -8.405 -12.744 1.00 0.00 C ATOM 682 O GLU A 48 -1.876 -8.907 -12.289 1.00 0.00 O ATOM 683 CB GLU A 48 -4.980 -9.747 -12.253 1.00 0.00 C ATOM 684 CG GLU A 48 -5.901 -8.603 -11.824 1.00 0.00 C ATOM 685 CD GLU A 48 -7.284 -8.743 -12.464 1.00 0.00 C ATOM 686 OE1 GLU A 48 -7.322 -8.925 -13.700 1.00 0.00 O ATOM 687 OE2 GLU A 48 -8.272 -8.664 -11.702 1.00 0.00 O ATOM 0 H GLU A 48 -2.750 -10.962 -13.476 1.00 0.00 H new ATOM 0 HA GLU A 48 -4.565 -8.697 -14.060 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -5.577 -10.579 -12.626 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -4.425 -10.115 -11.390 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -5.998 -8.597 -10.738 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -5.459 -7.649 -12.110 1.00 0.00 H new ATOM 694 N ILE A 49 -3.155 -7.105 -12.769 1.00 0.00 N ATOM 695 CA ILE A 49 -2.198 -6.148 -12.240 1.00 0.00 C ATOM 696 C ILE A 49 -2.648 -5.699 -10.847 1.00 0.00 C ATOM 697 O ILE A 49 -3.820 -5.830 -10.498 1.00 0.00 O ATOM 698 CB ILE A 49 -1.997 -4.992 -13.223 1.00 0.00 C ATOM 699 CG1 ILE A 49 -3.335 -4.521 -13.796 1.00 0.00 C ATOM 700 CG2 ILE A 49 -1.005 -5.374 -14.323 1.00 0.00 C ATOM 701 CD1 ILE A 49 -3.231 -3.090 -14.327 1.00 0.00 C ATOM 0 H ILE A 49 -4.007 -6.692 -13.147 1.00 0.00 H new ATOM 0 HA ILE A 49 -1.219 -6.613 -12.125 1.00 0.00 H new ATOM 0 HB ILE A 49 -1.566 -4.152 -12.679 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -3.646 -5.189 -14.599 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -4.103 -4.571 -13.024 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -0.880 -4.535 -15.008 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -0.043 -5.623 -13.875 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -1.384 -6.237 -14.871 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -4.196 -2.780 -14.729 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -2.944 -2.421 -13.516 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -2.479 -3.048 -15.115 1.00 0.00 H new ATOM 713 N GLY A 50 -1.693 -5.178 -10.091 1.00 0.00 N ATOM 714 CA GLY A 50 -1.977 -4.709 -8.746 1.00 0.00 C ATOM 715 C GLY A 50 -0.908 -3.722 -8.273 1.00 0.00 C ATOM 716 O GLY A 50 -0.103 -3.242 -9.071 1.00 0.00 O ATOM 0 H GLY A 50 -0.722 -5.070 -10.384 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -2.956 -4.229 -8.723 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -2.022 -5.557 -8.063 1.00 0.00 H new ATOM 720 N ALA A 51 -0.935 -3.446 -6.977 1.00 0.00 N ATOM 721 CA ALA A 51 0.021 -2.523 -6.388 1.00 0.00 C ATOM 722 C ALA A 51 0.831 -3.252 -5.315 1.00 0.00 C ATOM 723 O ALA A 51 0.278 -4.020 -4.529 1.00 0.00 O ATOM 724 CB ALA A 51 -0.720 -1.305 -5.833 1.00 0.00 C ATOM 0 H ALA A 51 -1.604 -3.845 -6.318 1.00 0.00 H new ATOM 0 HA ALA A 51 0.721 -2.162 -7.142 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -0.003 -0.613 -5.391 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -1.256 -0.806 -6.640 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -1.430 -1.627 -5.071 1.00 0.00 H new ATOM 730 N TYR A 52 2.128 -2.984 -5.314 1.00 0.00 N ATOM 731 CA TYR A 52 3.021 -3.605 -4.349 1.00 0.00 C ATOM 732 C TYR A 52 4.081 -2.614 -3.867 1.00 0.00 C ATOM 733 O TYR A 52 4.322 -1.593 -4.512 1.00 0.00 O ATOM 734 CB TYR A 52 3.710 -4.751 -5.089 1.00 0.00 C ATOM 735 CG TYR A 52 4.850 -4.304 -6.007 1.00 0.00 C ATOM 736 CD1 TYR A 52 4.566 -3.702 -7.216 1.00 0.00 C ATOM 737 CD2 TYR A 52 6.161 -4.502 -5.626 1.00 0.00 C ATOM 738 CE1 TYR A 52 5.639 -3.281 -8.080 1.00 0.00 C ATOM 739 CE2 TYR A 52 7.233 -4.081 -6.489 1.00 0.00 C ATOM 740 CZ TYR A 52 6.920 -3.491 -7.674 1.00 0.00 C ATOM 741 OH TYR A 52 7.932 -3.093 -8.489 1.00 0.00 O ATOM 0 H TYR A 52 2.583 -2.345 -5.966 1.00 0.00 H new ATOM 0 HA TYR A 52 2.465 -3.946 -3.476 1.00 0.00 H new ATOM 0 HB2 TYR A 52 4.102 -5.458 -4.358 1.00 0.00 H new ATOM 0 HB3 TYR A 52 2.968 -5.285 -5.682 1.00 0.00 H new ATOM 0 HD1 TYR A 52 3.540 -3.547 -7.514 1.00 0.00 H new ATOM 0 HD2 TYR A 52 6.383 -4.973 -4.680 1.00 0.00 H new ATOM 0 HE1 TYR A 52 5.431 -2.809 -9.029 1.00 0.00 H new ATOM 0 HE2 TYR A 52 8.263 -4.230 -6.202 1.00 0.00 H new ATOM 0 HH TYR A 52 8.792 -3.305 -8.070 1.00 0.00 H new ATOM 751 N ILE A 53 4.688 -2.947 -2.737 1.00 0.00 N ATOM 752 CA ILE A 53 5.717 -2.100 -2.161 1.00 0.00 C ATOM 753 C ILE A 53 6.964 -2.145 -3.047 1.00 0.00 C ATOM 754 O ILE A 53 7.715 -3.120 -3.017 1.00 0.00 O ATOM 755 CB ILE A 53 5.982 -2.491 -0.705 1.00 0.00 C ATOM 756 CG1 ILE A 53 4.712 -2.359 0.138 1.00 0.00 C ATOM 757 CG2 ILE A 53 7.144 -1.684 -0.123 1.00 0.00 C ATOM 758 CD1 ILE A 53 4.404 -3.663 0.874 1.00 0.00 C ATOM 0 H ILE A 53 4.486 -3.793 -2.205 1.00 0.00 H new ATOM 0 HA ILE A 53 5.383 -1.063 -2.132 1.00 0.00 H new ATOM 0 HB ILE A 53 6.276 -3.540 -0.681 1.00 0.00 H new ATOM 0 HG12 ILE A 53 4.832 -1.550 0.859 1.00 0.00 H new ATOM 0 HG13 ILE A 53 3.872 -2.092 -0.503 1.00 0.00 H new ATOM 0 HG21 ILE A 53 7.311 -1.981 0.912 1.00 0.00 H new ATOM 0 HG22 ILE A 53 8.046 -1.873 -0.705 1.00 0.00 H new ATOM 0 HG23 ILE A 53 6.904 -0.621 -0.161 1.00 0.00 H new ATOM 0 HD11 ILE A 53 3.497 -3.541 1.465 1.00 0.00 H new ATOM 0 HD12 ILE A 53 4.260 -4.465 0.149 1.00 0.00 H new ATOM 0 HD13 ILE A 53 5.235 -3.914 1.533 1.00 0.00 H new ATOM 770 N ALA A 54 7.146 -1.081 -3.813 1.00 0.00 N ATOM 771 CA ALA A 54 8.290 -0.988 -4.706 1.00 0.00 C ATOM 772 C ALA A 54 9.552 -0.724 -3.884 1.00 0.00 C ATOM 773 O ALA A 54 10.512 -1.491 -3.950 1.00 0.00 O ATOM 774 CB ALA A 54 8.035 0.102 -5.749 1.00 0.00 C ATOM 0 H ALA A 54 6.521 -0.275 -3.835 1.00 0.00 H new ATOM 0 HA ALA A 54 8.436 -1.925 -5.243 1.00 0.00 H new ATOM 0 HB1 ALA A 54 8.892 0.172 -6.419 1.00 0.00 H new ATOM 0 HB2 ALA A 54 7.144 -0.147 -6.325 1.00 0.00 H new ATOM 0 HB3 ALA A 54 7.887 1.058 -5.247 1.00 0.00 H new ATOM 780 N LYS A 55 9.512 0.364 -3.128 1.00 0.00 N ATOM 781 CA LYS A 55 10.641 0.738 -2.294 1.00 0.00 C ATOM 782 C LYS A 55 10.127 1.274 -0.956 1.00 0.00 C ATOM 783 O LYS A 55 9.084 1.924 -0.905 1.00 0.00 O ATOM 784 CB LYS A 55 11.556 1.714 -3.037 1.00 0.00 C ATOM 785 CG LYS A 55 12.469 2.460 -2.062 1.00 0.00 C ATOM 786 CD LYS A 55 13.666 1.596 -1.661 1.00 0.00 C ATOM 787 CE LYS A 55 14.709 2.422 -0.906 1.00 0.00 C ATOM 788 NZ LYS A 55 15.479 1.562 0.021 1.00 0.00 N ATOM 0 H LYS A 55 8.715 0.998 -3.076 1.00 0.00 H new ATOM 0 HA LYS A 55 11.256 -0.134 -2.073 1.00 0.00 H new ATOM 0 HB2 LYS A 55 12.160 1.170 -3.763 1.00 0.00 H new ATOM 0 HB3 LYS A 55 10.953 2.430 -3.596 1.00 0.00 H new ATOM 0 HG2 LYS A 55 12.821 3.384 -2.522 1.00 0.00 H new ATOM 0 HG3 LYS A 55 11.905 2.741 -1.173 1.00 0.00 H new ATOM 0 HD2 LYS A 55 13.329 0.769 -1.036 1.00 0.00 H new ATOM 0 HD3 LYS A 55 14.118 1.159 -2.551 1.00 0.00 H new ATOM 0 HE2 LYS A 55 15.385 2.900 -1.615 1.00 0.00 H new ATOM 0 HE3 LYS A 55 14.217 3.219 -0.348 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 16.183 2.138 0.526 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 14.832 1.126 0.708 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 15.964 0.817 -0.519 1.00 0.00 H new ATOM 802 N ILE A 56 10.882 0.983 0.092 1.00 0.00 N ATOM 803 CA ILE A 56 10.515 1.428 1.426 1.00 0.00 C ATOM 804 C ILE A 56 11.501 2.503 1.889 1.00 0.00 C ATOM 805 O ILE A 56 12.644 2.198 2.226 1.00 0.00 O ATOM 806 CB ILE A 56 10.411 0.236 2.379 1.00 0.00 C ATOM 807 CG1 ILE A 56 9.153 -0.586 2.094 1.00 0.00 C ATOM 808 CG2 ILE A 56 10.481 0.693 3.837 1.00 0.00 C ATOM 809 CD1 ILE A 56 8.724 -1.379 3.331 1.00 0.00 C ATOM 0 H ILE A 56 11.747 0.444 0.045 1.00 0.00 H new ATOM 0 HA ILE A 56 9.526 1.885 1.417 1.00 0.00 H new ATOM 0 HB ILE A 56 11.267 -0.417 2.205 1.00 0.00 H new ATOM 0 HG12 ILE A 56 8.344 0.076 1.783 1.00 0.00 H new ATOM 0 HG13 ILE A 56 9.341 -1.270 1.266 1.00 0.00 H new ATOM 0 HG21 ILE A 56 10.405 -0.173 4.494 1.00 0.00 H new ATOM 0 HG22 ILE A 56 11.429 1.200 4.014 1.00 0.00 H new ATOM 0 HG23 ILE A 56 9.659 1.378 4.043 1.00 0.00 H new ATOM 0 HD11 ILE A 56 7.827 -1.955 3.101 1.00 0.00 H new ATOM 0 HD12 ILE A 56 9.525 -2.057 3.624 1.00 0.00 H new ATOM 0 HD13 ILE A 56 8.513 -0.691 4.149 1.00 0.00 H new ATOM 821 N LEU A 57 11.023 3.738 1.892 1.00 0.00 N ATOM 822 CA LEU A 57 11.848 4.859 2.308 1.00 0.00 C ATOM 823 C LEU A 57 12.684 4.448 3.522 1.00 0.00 C ATOM 824 O LEU A 57 12.268 3.598 4.307 1.00 0.00 O ATOM 825 CB LEU A 57 10.986 6.100 2.547 1.00 0.00 C ATOM 826 CG LEU A 57 10.813 7.038 1.350 1.00 0.00 C ATOM 827 CD1 LEU A 57 12.071 7.879 1.127 1.00 0.00 C ATOM 828 CD2 LEU A 57 10.415 6.257 0.096 1.00 0.00 C ATOM 0 H LEU A 57 10.074 3.987 1.613 1.00 0.00 H new ATOM 0 HA LEU A 57 12.546 5.132 1.517 1.00 0.00 H new ATOM 0 HB2 LEU A 57 9.998 5.774 2.874 1.00 0.00 H new ATOM 0 HB3 LEU A 57 11.422 6.668 3.368 1.00 0.00 H new ATOM 0 HG LEU A 57 9.999 7.729 1.571 1.00 0.00 H new ATOM 0 HD11 LEU A 57 11.922 8.537 0.271 1.00 0.00 H new ATOM 0 HD12 LEU A 57 12.270 8.479 2.015 1.00 0.00 H new ATOM 0 HD13 LEU A 57 12.919 7.221 0.936 1.00 0.00 H new ATOM 0 HD21 LEU A 57 10.298 6.946 -0.740 1.00 0.00 H new ATOM 0 HD22 LEU A 57 11.190 5.528 -0.140 1.00 0.00 H new ATOM 0 HD23 LEU A 57 9.472 5.739 0.274 1.00 0.00 H new ATOM 840 N PRO A 58 13.878 5.088 3.641 1.00 0.00 N ATOM 841 CA PRO A 58 14.775 4.798 4.746 1.00 0.00 C ATOM 842 C PRO A 58 14.269 5.429 6.044 1.00 0.00 C ATOM 843 O PRO A 58 13.621 6.474 6.019 1.00 0.00 O ATOM 844 CB PRO A 58 16.126 5.341 4.309 1.00 0.00 C ATOM 845 CG PRO A 58 15.837 6.323 3.185 1.00 0.00 C ATOM 846 CD PRO A 58 14.403 6.101 2.729 1.00 0.00 C ATOM 0 HA PRO A 58 14.841 3.732 4.965 1.00 0.00 H new ATOM 0 HB2 PRO A 58 16.635 5.834 5.137 1.00 0.00 H new ATOM 0 HB3 PRO A 58 16.778 4.537 3.967 1.00 0.00 H new ATOM 0 HG2 PRO A 58 15.974 7.348 3.529 1.00 0.00 H new ATOM 0 HG3 PRO A 58 16.529 6.170 2.357 1.00 0.00 H new ATOM 0 HD2 PRO A 58 13.823 7.022 2.784 1.00 0.00 H new ATOM 0 HD3 PRO A 58 14.364 5.761 1.694 1.00 0.00 H new ATOM 854 N GLY A 59 14.584 4.767 7.149 1.00 0.00 N ATOM 855 CA GLY A 59 14.169 5.251 8.454 1.00 0.00 C ATOM 856 C GLY A 59 12.738 5.791 8.409 1.00 0.00 C ATOM 857 O GLY A 59 12.387 6.693 9.169 1.00 0.00 O ATOM 0 H GLY A 59 15.121 3.900 7.166 1.00 0.00 H new ATOM 0 HA2 GLY A 59 14.234 4.443 9.183 1.00 0.00 H new ATOM 0 HA3 GLY A 59 14.848 6.036 8.787 1.00 0.00 H new ATOM 861 N GLY A 60 11.950 5.217 7.512 1.00 0.00 N ATOM 862 CA GLY A 60 10.565 5.629 7.358 1.00 0.00 C ATOM 863 C GLY A 60 9.661 4.894 8.349 1.00 0.00 C ATOM 864 O GLY A 60 10.146 4.175 9.222 1.00 0.00 O ATOM 0 H GLY A 60 12.244 4.469 6.884 1.00 0.00 H new ATOM 0 HA2 GLY A 60 10.482 6.705 7.514 1.00 0.00 H new ATOM 0 HA3 GLY A 60 10.233 5.428 6.339 1.00 0.00 H new ATOM 868 N SER A 61 8.363 5.098 8.181 1.00 0.00 N ATOM 869 CA SER A 61 7.386 4.463 9.049 1.00 0.00 C ATOM 870 C SER A 61 7.190 3.003 8.636 1.00 0.00 C ATOM 871 O SER A 61 7.335 2.098 9.457 1.00 0.00 O ATOM 872 CB SER A 61 6.051 5.210 9.015 1.00 0.00 C ATOM 873 OG SER A 61 6.200 6.587 9.346 1.00 0.00 O ATOM 0 H SER A 61 7.965 5.695 7.456 1.00 0.00 H new ATOM 0 HA SER A 61 7.763 4.496 10.071 1.00 0.00 H new ATOM 0 HB2 SER A 61 5.612 5.122 8.021 1.00 0.00 H new ATOM 0 HB3 SER A 61 5.357 4.743 9.713 1.00 0.00 H new ATOM 0 HG SER A 61 5.326 7.028 9.311 1.00 0.00 H new ATOM 879 N ALA A 62 6.863 2.820 7.366 1.00 0.00 N ATOM 880 CA ALA A 62 6.645 1.485 6.834 1.00 0.00 C ATOM 881 C ALA A 62 7.899 0.639 7.061 1.00 0.00 C ATOM 882 O ALA A 62 7.825 -0.587 7.106 1.00 0.00 O ATOM 883 CB ALA A 62 6.264 1.580 5.355 1.00 0.00 C ATOM 0 H ALA A 62 6.744 3.574 6.689 1.00 0.00 H new ATOM 0 HA ALA A 62 5.820 0.996 7.352 1.00 0.00 H new ATOM 0 HB1 ALA A 62 6.101 0.579 4.956 1.00 0.00 H new ATOM 0 HB2 ALA A 62 5.350 2.165 5.252 1.00 0.00 H new ATOM 0 HB3 ALA A 62 7.069 2.064 4.802 1.00 0.00 H new ATOM 889 N GLU A 63 9.022 1.329 7.196 1.00 0.00 N ATOM 890 CA GLU A 63 10.292 0.657 7.417 1.00 0.00 C ATOM 891 C GLU A 63 10.438 0.272 8.891 1.00 0.00 C ATOM 892 O GLU A 63 11.261 -0.577 9.235 1.00 0.00 O ATOM 893 CB GLU A 63 11.461 1.530 6.959 1.00 0.00 C ATOM 894 CG GLU A 63 12.770 0.737 6.960 1.00 0.00 C ATOM 895 CD GLU A 63 13.941 1.614 7.408 1.00 0.00 C ATOM 896 OE1 GLU A 63 13.975 1.944 8.613 1.00 0.00 O ATOM 897 OE2 GLU A 63 14.777 1.935 6.535 1.00 0.00 O ATOM 0 H GLU A 63 9.079 2.347 7.157 1.00 0.00 H new ATOM 0 HA GLU A 63 10.308 -0.255 6.820 1.00 0.00 H new ATOM 0 HB2 GLU A 63 11.264 1.912 5.957 1.00 0.00 H new ATOM 0 HB3 GLU A 63 11.554 2.394 7.617 1.00 0.00 H new ATOM 0 HG2 GLU A 63 12.679 -0.122 7.625 1.00 0.00 H new ATOM 0 HG3 GLU A 63 12.964 0.347 5.961 1.00 0.00 H new ATOM 904 N GLN A 64 9.630 0.913 9.722 1.00 0.00 N ATOM 905 CA GLN A 64 9.660 0.648 11.149 1.00 0.00 C ATOM 906 C GLN A 64 8.849 -0.608 11.474 1.00 0.00 C ATOM 907 O GLN A 64 9.297 -1.458 12.241 1.00 0.00 O ATOM 908 CB GLN A 64 9.147 1.852 11.941 1.00 0.00 C ATOM 909 CG GLN A 64 7.694 1.645 12.375 1.00 0.00 C ATOM 910 CD GLN A 64 7.175 2.856 13.152 1.00 0.00 C ATOM 911 OE1 GLN A 64 7.706 3.951 13.072 1.00 0.00 O ATOM 912 NE2 GLN A 64 6.112 2.598 13.908 1.00 0.00 N ATOM 0 H GLN A 64 8.950 1.616 9.433 1.00 0.00 H new ATOM 0 HA GLN A 64 10.695 0.474 11.444 1.00 0.00 H new ATOM 0 HB2 GLN A 64 9.774 2.008 12.819 1.00 0.00 H new ATOM 0 HB3 GLN A 64 9.223 2.752 11.331 1.00 0.00 H new ATOM 0 HG2 GLN A 64 7.069 1.477 11.498 1.00 0.00 H new ATOM 0 HG3 GLN A 64 7.620 0.752 12.995 1.00 0.00 H new ATOM 0 HE21 GLN A 64 5.717 1.658 13.929 1.00 0.00 H new ATOM 0 HE22 GLN A 64 5.692 3.340 14.467 1.00 0.00 H new ATOM 921 N THR A 65 7.672 -0.684 10.872 1.00 0.00 N ATOM 922 CA THR A 65 6.794 -1.822 11.088 1.00 0.00 C ATOM 923 C THR A 65 7.608 -3.115 11.167 1.00 0.00 C ATOM 924 O THR A 65 7.317 -3.985 11.987 1.00 0.00 O ATOM 925 CB THR A 65 5.748 -1.830 9.972 1.00 0.00 C ATOM 926 OG1 THR A 65 6.510 -1.658 8.780 1.00 0.00 O ATOM 927 CG2 THR A 65 4.838 -0.600 10.013 1.00 0.00 C ATOM 0 H THR A 65 7.305 0.023 10.235 1.00 0.00 H new ATOM 0 HA THR A 65 6.272 -1.744 12.042 1.00 0.00 H new ATOM 0 HB THR A 65 5.142 -2.733 10.050 1.00 0.00 H new ATOM 0 HG1 THR A 65 6.305 -0.786 8.384 1.00 0.00 H new ATOM 0 HG21 THR A 65 4.114 -0.656 9.200 1.00 0.00 H new ATOM 0 HG22 THR A 65 4.311 -0.569 10.967 1.00 0.00 H new ATOM 0 HG23 THR A 65 5.440 0.302 9.902 1.00 0.00 H new ATOM 935 N GLY A 66 8.610 -3.200 10.305 1.00 0.00 N ATOM 936 CA GLY A 66 9.467 -4.373 10.267 1.00 0.00 C ATOM 937 C GLY A 66 8.883 -5.450 9.351 1.00 0.00 C ATOM 938 O GLY A 66 9.613 -6.094 8.599 1.00 0.00 O ATOM 0 H GLY A 66 8.848 -2.476 9.627 1.00 0.00 H new ATOM 0 HA2 GLY A 66 10.460 -4.091 9.916 1.00 0.00 H new ATOM 0 HA3 GLY A 66 9.587 -4.773 11.274 1.00 0.00 H new ATOM 942 N LYS A 67 7.571 -5.613 9.446 1.00 0.00 N ATOM 943 CA LYS A 67 6.880 -6.602 8.636 1.00 0.00 C ATOM 944 C LYS A 67 6.959 -6.194 7.164 1.00 0.00 C ATOM 945 O LYS A 67 7.567 -6.892 6.354 1.00 0.00 O ATOM 946 CB LYS A 67 5.450 -6.804 9.141 1.00 0.00 C ATOM 947 CG LYS A 67 5.256 -8.223 9.684 1.00 0.00 C ATOM 948 CD LYS A 67 4.023 -8.300 10.586 1.00 0.00 C ATOM 949 CE LYS A 67 4.237 -9.305 11.721 1.00 0.00 C ATOM 950 NZ LYS A 67 2.942 -9.863 12.169 1.00 0.00 N ATOM 0 H LYS A 67 6.969 -5.077 10.071 1.00 0.00 H new ATOM 0 HA LYS A 67 7.366 -7.574 8.725 1.00 0.00 H new ATOM 0 HB2 LYS A 67 5.231 -6.078 9.924 1.00 0.00 H new ATOM 0 HB3 LYS A 67 4.745 -6.621 8.330 1.00 0.00 H new ATOM 0 HG2 LYS A 67 5.149 -8.922 8.855 1.00 0.00 H new ATOM 0 HG3 LYS A 67 6.141 -8.526 10.244 1.00 0.00 H new ATOM 0 HD2 LYS A 67 3.810 -7.315 11.002 1.00 0.00 H new ATOM 0 HD3 LYS A 67 3.154 -8.591 9.996 1.00 0.00 H new ATOM 0 HE2 LYS A 67 4.890 -10.110 11.384 1.00 0.00 H new ATOM 0 HE3 LYS A 67 4.738 -8.817 12.557 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 3.105 -10.543 12.939 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 2.332 -9.093 12.510 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 2.478 -10.346 11.373 1.00 0.00 H new ATOM 964 N LEU A 68 6.335 -5.065 6.861 1.00 0.00 N ATOM 965 CA LEU A 68 6.326 -4.555 5.500 1.00 0.00 C ATOM 966 C LEU A 68 7.713 -4.745 4.880 1.00 0.00 C ATOM 967 O LEU A 68 8.715 -4.316 5.451 1.00 0.00 O ATOM 968 CB LEU A 68 5.833 -3.108 5.473 1.00 0.00 C ATOM 969 CG LEU A 68 4.321 -2.911 5.593 1.00 0.00 C ATOM 970 CD1 LEU A 68 3.612 -3.300 4.294 1.00 0.00 C ATOM 971 CD2 LEU A 68 3.764 -3.672 6.799 1.00 0.00 C ATOM 0 H LEU A 68 5.832 -4.489 7.535 1.00 0.00 H new ATOM 0 HA LEU A 68 5.622 -5.118 4.887 1.00 0.00 H new ATOM 0 HB2 LEU A 68 6.315 -2.566 6.286 1.00 0.00 H new ATOM 0 HB3 LEU A 68 6.166 -2.649 4.542 1.00 0.00 H new ATOM 0 HG LEU A 68 4.127 -1.852 5.761 1.00 0.00 H new ATOM 0 HD11 LEU A 68 2.538 -3.150 4.407 1.00 0.00 H new ATOM 0 HD12 LEU A 68 3.981 -2.679 3.478 1.00 0.00 H new ATOM 0 HD13 LEU A 68 3.811 -4.348 4.071 1.00 0.00 H new ATOM 0 HD21 LEU A 68 2.687 -3.516 6.862 1.00 0.00 H new ATOM 0 HD22 LEU A 68 3.970 -4.736 6.685 1.00 0.00 H new ATOM 0 HD23 LEU A 68 4.238 -3.307 7.710 1.00 0.00 H new ATOM 983 N MET A 69 7.725 -5.387 3.722 1.00 0.00 N ATOM 984 CA MET A 69 8.973 -5.638 3.019 1.00 0.00 C ATOM 985 C MET A 69 8.814 -5.393 1.518 1.00 0.00 C ATOM 986 O MET A 69 7.780 -5.718 0.937 1.00 0.00 O ATOM 987 CB MET A 69 9.410 -7.084 3.257 1.00 0.00 C ATOM 988 CG MET A 69 9.819 -7.301 4.716 1.00 0.00 C ATOM 989 SD MET A 69 11.589 -7.496 4.832 1.00 0.00 S ATOM 990 CE MET A 69 11.698 -9.274 4.948 1.00 0.00 C ATOM 0 H MET A 69 6.892 -5.741 3.252 1.00 0.00 H new ATOM 0 HA MET A 69 9.729 -4.953 3.402 1.00 0.00 H new ATOM 0 HB2 MET A 69 8.595 -7.761 3.000 1.00 0.00 H new ATOM 0 HB3 MET A 69 10.246 -7.328 2.601 1.00 0.00 H new ATOM 0 HG2 MET A 69 9.498 -6.454 5.322 1.00 0.00 H new ATOM 0 HG3 MET A 69 9.321 -8.185 5.114 1.00 0.00 H new ATOM 0 HE1 MET A 69 12.744 -9.570 5.028 1.00 0.00 H new ATOM 0 HE2 MET A 69 11.156 -9.615 5.830 1.00 0.00 H new ATOM 0 HE3 MET A 69 11.260 -9.724 4.057 1.00 0.00 H new ATOM 1000 N GLU A 70 9.856 -4.820 0.931 1.00 0.00 N ATOM 1001 CA GLU A 70 9.846 -4.527 -0.492 1.00 0.00 C ATOM 1002 C GLU A 70 9.502 -5.786 -1.291 1.00 0.00 C ATOM 1003 O GLU A 70 9.909 -6.887 -0.926 1.00 0.00 O ATOM 1004 CB GLU A 70 11.187 -3.942 -0.941 1.00 0.00 C ATOM 1005 CG GLU A 70 11.688 -2.893 0.054 1.00 0.00 C ATOM 1006 CD GLU A 70 12.961 -3.368 0.756 1.00 0.00 C ATOM 1007 OE1 GLU A 70 13.957 -3.595 0.034 1.00 0.00 O ATOM 1008 OE2 GLU A 70 12.913 -3.493 1.998 1.00 0.00 O ATOM 0 H GLU A 70 10.712 -4.551 1.416 1.00 0.00 H new ATOM 0 HA GLU A 70 9.078 -3.778 -0.683 1.00 0.00 H new ATOM 0 HB2 GLU A 70 11.923 -4.740 -1.035 1.00 0.00 H new ATOM 0 HB3 GLU A 70 11.079 -3.491 -1.927 1.00 0.00 H new ATOM 0 HG2 GLU A 70 11.884 -1.956 -0.468 1.00 0.00 H new ATOM 0 HG3 GLU A 70 10.914 -2.690 0.794 1.00 0.00 H new ATOM 1015 N GLY A 71 8.754 -5.580 -2.365 1.00 0.00 N ATOM 1016 CA GLY A 71 8.350 -6.685 -3.218 1.00 0.00 C ATOM 1017 C GLY A 71 6.976 -7.219 -2.810 1.00 0.00 C ATOM 1018 O GLY A 71 6.234 -7.734 -3.645 1.00 0.00 O ATOM 0 H GLY A 71 8.417 -4.665 -2.664 1.00 0.00 H new ATOM 0 HA2 GLY A 71 8.322 -6.356 -4.257 1.00 0.00 H new ATOM 0 HA3 GLY A 71 9.088 -7.485 -3.157 1.00 0.00 H new ATOM 1022 N MET A 72 6.679 -7.078 -1.526 1.00 0.00 N ATOM 1023 CA MET A 72 5.407 -7.539 -0.998 1.00 0.00 C ATOM 1024 C MET A 72 4.238 -6.966 -1.802 1.00 0.00 C ATOM 1025 O MET A 72 4.259 -5.799 -2.188 1.00 0.00 O ATOM 1026 CB MET A 72 5.277 -7.113 0.465 1.00 0.00 C ATOM 1027 CG MET A 72 6.069 -8.049 1.382 1.00 0.00 C ATOM 1028 SD MET A 72 5.017 -9.374 1.955 1.00 0.00 S ATOM 1029 CE MET A 72 4.863 -8.925 3.675 1.00 0.00 C ATOM 0 H MET A 72 7.298 -6.651 -0.837 1.00 0.00 H new ATOM 0 HA MET A 72 5.377 -8.626 -1.074 1.00 0.00 H new ATOM 0 HB2 MET A 72 5.638 -6.091 0.583 1.00 0.00 H new ATOM 0 HB3 MET A 72 4.227 -7.116 0.756 1.00 0.00 H new ATOM 0 HG2 MET A 72 6.925 -8.459 0.846 1.00 0.00 H new ATOM 0 HG3 MET A 72 6.462 -7.492 2.232 1.00 0.00 H new ATOM 0 HE1 MET A 72 4.233 -9.653 4.186 1.00 0.00 H new ATOM 0 HE2 MET A 72 5.850 -8.912 4.137 1.00 0.00 H new ATOM 0 HE3 MET A 72 4.412 -7.936 3.754 1.00 0.00 H new ATOM 1039 N GLN A 73 3.247 -7.814 -2.031 1.00 0.00 N ATOM 1040 CA GLN A 73 2.071 -7.408 -2.782 1.00 0.00 C ATOM 1041 C GLN A 73 1.042 -6.765 -1.850 1.00 0.00 C ATOM 1042 O GLN A 73 0.666 -7.352 -0.837 1.00 0.00 O ATOM 1043 CB GLN A 73 1.464 -8.593 -3.536 1.00 0.00 C ATOM 1044 CG GLN A 73 0.061 -8.257 -4.045 1.00 0.00 C ATOM 1045 CD GLN A 73 -0.572 -9.465 -4.741 1.00 0.00 C ATOM 1046 OE1 GLN A 73 0.047 -10.499 -4.933 1.00 0.00 O ATOM 1047 NE2 GLN A 73 -1.837 -9.276 -5.107 1.00 0.00 N ATOM 0 H GLN A 73 3.234 -8.782 -1.709 1.00 0.00 H new ATOM 0 HA GLN A 73 2.375 -6.668 -3.522 1.00 0.00 H new ATOM 0 HB2 GLN A 73 2.105 -8.861 -4.376 1.00 0.00 H new ATOM 0 HB3 GLN A 73 1.418 -9.462 -2.879 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -0.567 -7.942 -3.211 1.00 0.00 H new ATOM 0 HG3 GLN A 73 0.113 -7.418 -4.739 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -2.296 -8.385 -4.916 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -2.348 -10.022 -5.579 1.00 0.00 H new ATOM 1056 N VAL A 74 0.616 -5.568 -2.226 1.00 0.00 N ATOM 1057 CA VAL A 74 -0.362 -4.840 -1.437 1.00 0.00 C ATOM 1058 C VAL A 74 -1.745 -4.999 -2.073 1.00 0.00 C ATOM 1059 O VAL A 74 -2.007 -4.451 -3.142 1.00 0.00 O ATOM 1060 CB VAL A 74 0.064 -3.377 -1.293 1.00 0.00 C ATOM 1061 CG1 VAL A 74 -0.936 -2.596 -0.440 1.00 0.00 C ATOM 1062 CG2 VAL A 74 1.477 -3.274 -0.715 1.00 0.00 C ATOM 0 H VAL A 74 0.931 -5.084 -3.067 1.00 0.00 H new ATOM 0 HA VAL A 74 -0.418 -5.249 -0.428 1.00 0.00 H new ATOM 0 HB VAL A 74 0.075 -2.931 -2.287 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -0.609 -1.560 -0.354 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -1.919 -2.629 -0.910 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -0.994 -3.042 0.553 1.00 0.00 H new ATOM 0 HG21 VAL A 74 1.757 -2.225 -0.622 1.00 0.00 H new ATOM 0 HG22 VAL A 74 1.503 -3.745 0.268 1.00 0.00 H new ATOM 0 HG23 VAL A 74 2.179 -3.779 -1.378 1.00 0.00 H new ATOM 1072 N LEU A 75 -2.593 -5.751 -1.388 1.00 0.00 N ATOM 1073 CA LEU A 75 -3.943 -5.989 -1.872 1.00 0.00 C ATOM 1074 C LEU A 75 -4.753 -4.696 -1.768 1.00 0.00 C ATOM 1075 O LEU A 75 -5.337 -4.243 -2.751 1.00 0.00 O ATOM 1076 CB LEU A 75 -4.575 -7.172 -1.137 1.00 0.00 C ATOM 1077 CG LEU A 75 -3.773 -8.476 -1.149 1.00 0.00 C ATOM 1078 CD1 LEU A 75 -3.849 -9.178 0.208 1.00 0.00 C ATOM 1079 CD2 LEU A 75 -4.222 -9.387 -2.292 1.00 0.00 C ATOM 0 H LEU A 75 -2.372 -6.204 -0.501 1.00 0.00 H new ATOM 0 HA LEU A 75 -3.926 -6.271 -2.925 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -4.743 -6.882 -0.100 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -5.553 -7.366 -1.576 1.00 0.00 H new ATOM 0 HG LEU A 75 -2.726 -8.231 -1.327 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -3.271 -10.102 0.173 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -3.442 -8.524 0.979 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -4.889 -9.409 0.440 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -3.636 -10.306 -2.277 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -5.278 -9.628 -2.172 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -4.073 -8.877 -3.244 1.00 0.00 H new ATOM 1091 N GLU A 76 -4.763 -4.137 -0.566 1.00 0.00 N ATOM 1092 CA GLU A 76 -5.492 -2.904 -0.320 1.00 0.00 C ATOM 1093 C GLU A 76 -4.643 -1.942 0.512 1.00 0.00 C ATOM 1094 O GLU A 76 -3.620 -2.336 1.072 1.00 0.00 O ATOM 1095 CB GLU A 76 -6.830 -3.188 0.366 1.00 0.00 C ATOM 1096 CG GLU A 76 -7.731 -4.049 -0.521 1.00 0.00 C ATOM 1097 CD GLU A 76 -9.136 -4.166 0.071 1.00 0.00 C ATOM 1098 OE1 GLU A 76 -9.225 -4.201 1.318 1.00 0.00 O ATOM 1099 OE2 GLU A 76 -10.089 -4.216 -0.736 1.00 0.00 O ATOM 0 H GLU A 76 -4.278 -4.515 0.248 1.00 0.00 H new ATOM 0 HA GLU A 76 -5.705 -2.432 -1.279 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -6.655 -3.696 1.314 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -7.331 -2.248 0.596 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -7.788 -3.613 -1.518 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -7.296 -5.042 -0.632 1.00 0.00 H new ATOM 1106 N TRP A 77 -5.096 -0.699 0.567 1.00 0.00 N ATOM 1107 CA TRP A 77 -4.390 0.323 1.321 1.00 0.00 C ATOM 1108 C TRP A 77 -5.430 1.273 1.918 1.00 0.00 C ATOM 1109 O TRP A 77 -6.244 1.843 1.194 1.00 0.00 O ATOM 1110 CB TRP A 77 -3.360 1.038 0.445 1.00 0.00 C ATOM 1111 CG TRP A 77 -2.865 2.364 1.023 1.00 0.00 C ATOM 1112 CD1 TRP A 77 -3.403 3.582 0.875 1.00 0.00 C ATOM 1113 CD2 TRP A 77 -1.700 2.558 1.855 1.00 0.00 C ATOM 1114 NE1 TRP A 77 -2.674 4.543 1.547 1.00 0.00 N ATOM 1115 CE2 TRP A 77 -1.606 3.900 2.162 1.00 0.00 C ATOM 1116 CE3 TRP A 77 -0.758 1.629 2.332 1.00 0.00 C ATOM 1117 CZ2 TRP A 77 -0.585 4.435 2.957 1.00 0.00 C ATOM 1118 CZ3 TRP A 77 0.256 2.180 3.124 1.00 0.00 C ATOM 1119 CH2 TRP A 77 0.364 3.528 3.442 1.00 0.00 C ATOM 0 H TRP A 77 -5.944 -0.376 0.101 1.00 0.00 H new ATOM 0 HA TRP A 77 -3.819 -0.124 2.135 1.00 0.00 H new ATOM 0 HB2 TRP A 77 -2.506 0.378 0.294 1.00 0.00 H new ATOM 0 HB3 TRP A 77 -3.798 1.222 -0.536 1.00 0.00 H new ATOM 0 HD1 TRP A 77 -4.295 3.787 0.302 1.00 0.00 H new ATOM 0 HE1 TRP A 77 -2.881 5.541 1.585 1.00 0.00 H new ATOM 0 HE3 TRP A 77 -0.813 0.574 2.105 1.00 0.00 H new ATOM 0 HZ2 TRP A 77 -0.533 5.490 3.183 1.00 0.00 H new ATOM 0 HZ3 TRP A 77 1.007 1.510 3.515 1.00 0.00 H new ATOM 0 HH2 TRP A 77 1.178 3.875 4.062 1.00 0.00 H new ATOM 1130 N ASN A 78 -5.369 1.414 3.235 1.00 0.00 N ATOM 1131 CA ASN A 78 -6.296 2.285 3.937 1.00 0.00 C ATOM 1132 C ASN A 78 -7.731 1.883 3.591 1.00 0.00 C ATOM 1133 O ASN A 78 -8.618 2.732 3.522 1.00 0.00 O ATOM 1134 CB ASN A 78 -6.101 3.745 3.523 1.00 0.00 C ATOM 1135 CG ASN A 78 -5.059 4.432 4.407 1.00 0.00 C ATOM 1136 OD1 ASN A 78 -4.080 3.839 4.833 1.00 0.00 O ATOM 1137 ND2 ASN A 78 -5.321 5.711 4.659 1.00 0.00 N ATOM 0 H ASN A 78 -4.692 0.940 3.833 1.00 0.00 H new ATOM 0 HA ASN A 78 -6.108 2.185 5.006 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -5.786 3.792 2.480 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -7.050 4.276 3.594 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -4.685 6.257 5.240 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -6.158 6.146 4.271 1.00 0.00 H new ATOM 1144 N GLY A 79 -7.913 0.588 3.380 1.00 0.00 N ATOM 1145 CA GLY A 79 -9.225 0.062 3.042 1.00 0.00 C ATOM 1146 C GLY A 79 -9.473 0.135 1.534 1.00 0.00 C ATOM 1147 O GLY A 79 -9.991 -0.809 0.940 1.00 0.00 O ATOM 0 H GLY A 79 -7.174 -0.113 3.436 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -9.304 -0.972 3.377 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -9.994 0.627 3.568 1.00 0.00 H new ATOM 1151 N ILE A 80 -9.092 1.266 0.959 1.00 0.00 N ATOM 1152 CA ILE A 80 -9.267 1.475 -0.469 1.00 0.00 C ATOM 1153 C ILE A 80 -8.340 0.529 -1.235 1.00 0.00 C ATOM 1154 O ILE A 80 -7.127 0.542 -1.032 1.00 0.00 O ATOM 1155 CB ILE A 80 -9.068 2.950 -0.823 1.00 0.00 C ATOM 1156 CG1 ILE A 80 -10.016 3.840 -0.017 1.00 0.00 C ATOM 1157 CG2 ILE A 80 -9.211 3.176 -2.330 1.00 0.00 C ATOM 1158 CD1 ILE A 80 -9.354 4.318 1.276 1.00 0.00 C ATOM 0 H ILE A 80 -8.663 2.047 1.455 1.00 0.00 H new ATOM 0 HA ILE A 80 -10.287 1.234 -0.767 1.00 0.00 H new ATOM 0 HB ILE A 80 -8.051 3.233 -0.550 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -10.311 4.700 -0.618 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -10.926 3.288 0.219 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -9.065 4.233 -2.555 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -8.463 2.586 -2.859 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -10.207 2.871 -2.651 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -10.050 4.949 1.829 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -9.082 3.456 1.885 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -8.458 4.890 1.036 1.00 0.00 H new ATOM 1170 N PRO A 81 -8.964 -0.292 -2.123 1.00 0.00 N ATOM 1171 CA PRO A 81 -8.209 -1.244 -2.921 1.00 0.00 C ATOM 1172 C PRO A 81 -7.456 -0.537 -4.050 1.00 0.00 C ATOM 1173 O PRO A 81 -7.967 0.412 -4.643 1.00 0.00 O ATOM 1174 CB PRO A 81 -9.240 -2.239 -3.426 1.00 0.00 C ATOM 1175 CG PRO A 81 -10.588 -1.552 -3.281 1.00 0.00 C ATOM 1176 CD PRO A 81 -10.398 -0.336 -2.390 1.00 0.00 C ATOM 0 HA PRO A 81 -7.433 -1.752 -2.348 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -9.048 -2.507 -4.465 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -9.208 -3.162 -2.847 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -10.971 -1.254 -4.257 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -11.319 -2.234 -2.846 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -10.737 0.574 -2.885 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -10.970 -0.428 -1.467 1.00 0.00 H new ATOM 1184 N LEU A 82 -6.254 -1.026 -4.314 1.00 0.00 N ATOM 1185 CA LEU A 82 -5.426 -0.453 -5.361 1.00 0.00 C ATOM 1186 C LEU A 82 -5.039 -1.549 -6.357 1.00 0.00 C ATOM 1187 O LEU A 82 -4.074 -1.401 -7.104 1.00 0.00 O ATOM 1188 CB LEU A 82 -4.226 0.279 -4.756 1.00 0.00 C ATOM 1189 CG LEU A 82 -3.726 -0.251 -3.411 1.00 0.00 C ATOM 1190 CD1 LEU A 82 -3.542 -1.769 -3.454 1.00 0.00 C ATOM 1191 CD2 LEU A 82 -2.447 0.469 -2.979 1.00 0.00 C ATOM 0 H LEU A 82 -5.833 -1.813 -3.821 1.00 0.00 H new ATOM 0 HA LEU A 82 -5.983 0.301 -5.916 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -3.403 0.237 -5.469 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -4.490 1.330 -4.635 1.00 0.00 H new ATOM 0 HG LEU A 82 -4.485 -0.040 -2.658 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -3.186 -2.120 -2.485 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -4.495 -2.245 -3.684 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -2.813 -2.026 -4.223 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -2.113 0.073 -2.020 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -1.670 0.311 -3.727 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -2.645 1.536 -2.882 1.00 0.00 H new ATOM 1203 N THR A 83 -5.813 -2.625 -6.333 1.00 0.00 N ATOM 1204 CA THR A 83 -5.562 -3.745 -7.223 1.00 0.00 C ATOM 1205 C THR A 83 -6.280 -3.536 -8.559 1.00 0.00 C ATOM 1206 O THR A 83 -7.392 -3.012 -8.594 1.00 0.00 O ATOM 1207 CB THR A 83 -5.984 -5.026 -6.501 1.00 0.00 C ATOM 1208 OG1 THR A 83 -5.109 -5.097 -5.379 1.00 0.00 O ATOM 1209 CG2 THR A 83 -5.660 -6.287 -7.307 1.00 0.00 C ATOM 0 H THR A 83 -6.613 -2.744 -5.712 1.00 0.00 H new ATOM 0 HA THR A 83 -4.503 -3.826 -7.468 1.00 0.00 H new ATOM 0 HB THR A 83 -7.054 -4.991 -6.296 1.00 0.00 H new ATOM 0 HG1 THR A 83 -5.538 -4.681 -4.603 1.00 0.00 H new ATOM 0 HG21 THR A 83 -5.980 -7.167 -6.750 1.00 0.00 H new ATOM 0 HG22 THR A 83 -6.183 -6.253 -8.262 1.00 0.00 H new ATOM 0 HG23 THR A 83 -4.586 -6.340 -7.484 1.00 0.00 H new ATOM 1217 N SER A 84 -5.614 -3.956 -9.624 1.00 0.00 N ATOM 1218 CA SER A 84 -6.175 -3.821 -10.958 1.00 0.00 C ATOM 1219 C SER A 84 -6.358 -2.341 -11.301 1.00 0.00 C ATOM 1220 O SER A 84 -7.261 -1.982 -12.056 1.00 0.00 O ATOM 1221 CB SER A 84 -7.508 -4.561 -11.073 1.00 0.00 C ATOM 1222 OG SER A 84 -7.683 -5.149 -12.359 1.00 0.00 O ATOM 0 H SER A 84 -4.691 -4.390 -9.591 1.00 0.00 H new ATOM 0 HA SER A 84 -5.480 -4.269 -11.668 1.00 0.00 H new ATOM 0 HB2 SER A 84 -7.559 -5.337 -10.310 1.00 0.00 H new ATOM 0 HB3 SER A 84 -8.326 -3.867 -10.877 1.00 0.00 H new ATOM 0 HG SER A 84 -8.545 -5.613 -12.392 1.00 0.00 H new ATOM 1228 N LYS A 85 -5.488 -1.522 -10.730 1.00 0.00 N ATOM 1229 CA LYS A 85 -5.543 -0.089 -10.966 1.00 0.00 C ATOM 1230 C LYS A 85 -4.303 0.342 -11.751 1.00 0.00 C ATOM 1231 O LYS A 85 -3.645 -0.484 -12.382 1.00 0.00 O ATOM 1232 CB LYS A 85 -5.728 0.664 -9.647 1.00 0.00 C ATOM 1233 CG LYS A 85 -6.798 -0.002 -8.779 1.00 0.00 C ATOM 1234 CD LYS A 85 -7.978 0.942 -8.544 1.00 0.00 C ATOM 1235 CE LYS A 85 -8.678 0.625 -7.220 1.00 0.00 C ATOM 1236 NZ LYS A 85 -10.105 0.307 -7.451 1.00 0.00 N ATOM 0 H LYS A 85 -4.741 -1.823 -10.104 1.00 0.00 H new ATOM 0 HA LYS A 85 -6.411 0.164 -11.576 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -4.782 0.694 -9.106 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -6.011 1.697 -9.851 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -7.148 -0.914 -9.263 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -6.365 -0.294 -7.822 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -7.627 1.974 -8.536 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -8.689 0.853 -9.366 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -8.186 -0.217 -6.734 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -8.594 1.476 -6.544 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -10.565 0.094 -6.543 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -10.575 1.122 -7.895 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -10.179 -0.519 -8.078 1.00 0.00 H new ATOM 1250 N THR A 86 -4.022 1.635 -11.689 1.00 0.00 N ATOM 1251 CA THR A 86 -2.872 2.186 -12.386 1.00 0.00 C ATOM 1252 C THR A 86 -1.955 2.920 -11.407 1.00 0.00 C ATOM 1253 O THR A 86 -2.416 3.449 -10.397 1.00 0.00 O ATOM 1254 CB THR A 86 -3.389 3.076 -13.518 1.00 0.00 C ATOM 1255 OG1 THR A 86 -4.355 3.914 -12.888 1.00 0.00 O ATOM 1256 CG2 THR A 86 -4.196 2.295 -14.557 1.00 0.00 C ATOM 0 H THR A 86 -4.571 2.318 -11.167 1.00 0.00 H new ATOM 0 HA THR A 86 -2.260 1.398 -12.825 1.00 0.00 H new ATOM 0 HB THR A 86 -2.547 3.566 -14.006 1.00 0.00 H new ATOM 0 HG1 THR A 86 -5.227 3.467 -12.891 1.00 0.00 H new ATOM 0 HG21 THR A 86 -4.539 2.974 -15.337 1.00 0.00 H new ATOM 0 HG22 THR A 86 -3.568 1.522 -14.999 1.00 0.00 H new ATOM 0 HG23 THR A 86 -5.057 1.832 -14.076 1.00 0.00 H new ATOM 1264 N TYR A 87 -0.673 2.929 -11.740 1.00 0.00 N ATOM 1265 CA TYR A 87 0.314 3.589 -10.902 1.00 0.00 C ATOM 1266 C TYR A 87 -0.234 4.902 -10.341 1.00 0.00 C ATOM 1267 O TYR A 87 -0.220 5.117 -9.130 1.00 0.00 O ATOM 1268 CB TYR A 87 1.504 3.896 -11.814 1.00 0.00 C ATOM 1269 CG TYR A 87 2.720 4.465 -11.079 1.00 0.00 C ATOM 1270 CD1 TYR A 87 2.650 5.713 -10.495 1.00 0.00 C ATOM 1271 CD2 TYR A 87 3.886 3.731 -11.002 1.00 0.00 C ATOM 1272 CE1 TYR A 87 3.794 6.249 -9.804 1.00 0.00 C ATOM 1273 CE2 TYR A 87 5.030 4.267 -10.311 1.00 0.00 C ATOM 1274 CZ TYR A 87 4.927 5.500 -9.746 1.00 0.00 C ATOM 1275 OH TYR A 87 6.008 6.006 -9.094 1.00 0.00 O ATOM 0 H TYR A 87 -0.294 2.490 -12.579 1.00 0.00 H new ATOM 0 HA TYR A 87 0.586 2.955 -10.058 1.00 0.00 H new ATOM 0 HB2 TYR A 87 1.799 2.982 -12.330 1.00 0.00 H new ATOM 0 HB3 TYR A 87 1.189 4.606 -12.579 1.00 0.00 H new ATOM 0 HD1 TYR A 87 1.738 6.288 -10.556 1.00 0.00 H new ATOM 0 HD2 TYR A 87 3.941 2.754 -11.460 1.00 0.00 H new ATOM 0 HE1 TYR A 87 3.753 7.224 -9.342 1.00 0.00 H new ATOM 0 HE2 TYR A 87 5.949 3.703 -10.243 1.00 0.00 H new ATOM 0 HH TYR A 87 6.745 5.361 -9.132 1.00 0.00 H new ATOM 1285 N GLU A 88 -0.704 5.746 -11.247 1.00 0.00 N ATOM 1286 CA GLU A 88 -1.256 7.032 -10.857 1.00 0.00 C ATOM 1287 C GLU A 88 -2.403 6.838 -9.863 1.00 0.00 C ATOM 1288 O GLU A 88 -2.304 7.252 -8.708 1.00 0.00 O ATOM 1289 CB GLU A 88 -1.720 7.824 -12.082 1.00 0.00 C ATOM 1290 CG GLU A 88 -0.626 8.776 -12.567 1.00 0.00 C ATOM 1291 CD GLU A 88 -1.117 10.225 -12.559 1.00 0.00 C ATOM 1292 OE1 GLU A 88 -2.100 10.495 -13.283 1.00 0.00 O ATOM 1293 OE2 GLU A 88 -0.497 11.030 -11.831 1.00 0.00 O ATOM 0 H GLU A 88 -0.714 5.564 -12.251 1.00 0.00 H new ATOM 0 HA GLU A 88 -0.471 7.609 -10.368 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -1.990 7.136 -12.883 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -2.617 8.392 -11.834 1.00 0.00 H new ATOM 0 HG2 GLU A 88 0.252 8.682 -11.928 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -0.318 8.498 -13.575 1.00 0.00 H new ATOM 1300 N GLU A 89 -3.463 6.210 -10.347 1.00 0.00 N ATOM 1301 CA GLU A 89 -4.627 5.956 -9.514 1.00 0.00 C ATOM 1302 C GLU A 89 -4.194 5.502 -8.120 1.00 0.00 C ATOM 1303 O GLU A 89 -4.400 6.213 -7.137 1.00 0.00 O ATOM 1304 CB GLU A 89 -5.552 4.925 -10.165 1.00 0.00 C ATOM 1305 CG GLU A 89 -6.397 5.565 -11.268 1.00 0.00 C ATOM 1306 CD GLU A 89 -7.381 4.554 -11.861 1.00 0.00 C ATOM 1307 OE1 GLU A 89 -6.915 3.448 -12.212 1.00 0.00 O ATOM 1308 OE2 GLU A 89 -8.575 4.910 -11.950 1.00 0.00 O ATOM 0 H GLU A 89 -3.541 5.869 -11.305 1.00 0.00 H new ATOM 0 HA GLU A 89 -5.187 6.886 -9.413 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -4.959 4.111 -10.582 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -6.205 4.488 -9.409 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -6.944 6.417 -10.864 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -5.746 5.948 -12.054 1.00 0.00 H new ATOM 1315 N VAL A 90 -3.600 4.318 -8.076 1.00 0.00 N ATOM 1316 CA VAL A 90 -3.135 3.760 -6.817 1.00 0.00 C ATOM 1317 C VAL A 90 -2.517 4.872 -5.968 1.00 0.00 C ATOM 1318 O VAL A 90 -2.968 5.130 -4.854 1.00 0.00 O ATOM 1319 CB VAL A 90 -2.169 2.603 -7.083 1.00 0.00 C ATOM 1320 CG1 VAL A 90 -1.399 2.229 -5.815 1.00 0.00 C ATOM 1321 CG2 VAL A 90 -2.908 1.391 -7.653 1.00 0.00 C ATOM 0 H VAL A 90 -3.430 3.730 -8.892 1.00 0.00 H new ATOM 0 HA VAL A 90 -3.970 3.346 -6.251 1.00 0.00 H new ATOM 0 HB VAL A 90 -1.446 2.935 -7.828 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -0.720 1.404 -6.032 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -0.826 3.090 -5.470 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -2.102 1.926 -5.039 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -2.198 0.584 -7.833 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -3.664 1.058 -6.942 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -3.389 1.667 -8.591 1.00 0.00 H new ATOM 1331 N GLN A 91 -1.494 5.500 -6.528 1.00 0.00 N ATOM 1332 CA GLN A 91 -0.809 6.579 -5.835 1.00 0.00 C ATOM 1333 C GLN A 91 -1.824 7.556 -5.242 1.00 0.00 C ATOM 1334 O GLN A 91 -1.847 7.773 -4.031 1.00 0.00 O ATOM 1335 CB GLN A 91 0.165 7.299 -6.771 1.00 0.00 C ATOM 1336 CG GLN A 91 1.342 7.886 -5.989 1.00 0.00 C ATOM 1337 CD GLN A 91 0.854 8.660 -4.762 1.00 0.00 C ATOM 1338 OE1 GLN A 91 1.019 8.243 -3.628 1.00 0.00 O ATOM 1339 NE2 GLN A 91 0.246 9.807 -5.053 1.00 0.00 N ATOM 0 H GLN A 91 -1.123 5.283 -7.453 1.00 0.00 H new ATOM 0 HA GLN A 91 -0.227 6.151 -5.019 1.00 0.00 H new ATOM 0 HB2 GLN A 91 0.535 6.602 -7.523 1.00 0.00 H new ATOM 0 HB3 GLN A 91 -0.357 8.095 -7.303 1.00 0.00 H new ATOM 0 HG2 GLN A 91 2.011 7.084 -5.675 1.00 0.00 H new ATOM 0 HG3 GLN A 91 1.919 8.548 -6.635 1.00 0.00 H new ATOM 0 HE21 GLN A 91 0.142 10.096 -6.025 1.00 0.00 H new ATOM 0 HE22 GLN A 91 -0.116 10.397 -4.304 1.00 0.00 H new ATOM 1348 N SER A 92 -2.639 8.121 -6.121 1.00 0.00 N ATOM 1349 CA SER A 92 -3.653 9.072 -5.698 1.00 0.00 C ATOM 1350 C SER A 92 -4.350 8.565 -4.434 1.00 0.00 C ATOM 1351 O SER A 92 -4.591 9.334 -3.504 1.00 0.00 O ATOM 1352 CB SER A 92 -4.679 9.312 -6.809 1.00 0.00 C ATOM 1353 OG SER A 92 -5.277 10.602 -6.711 1.00 0.00 O ATOM 0 H SER A 92 -2.618 7.938 -7.124 1.00 0.00 H new ATOM 0 HA SER A 92 -3.163 10.021 -5.480 1.00 0.00 H new ATOM 0 HB2 SER A 92 -4.194 9.210 -7.780 1.00 0.00 H new ATOM 0 HB3 SER A 92 -5.454 8.548 -6.758 1.00 0.00 H new ATOM 0 HG SER A 92 -5.924 10.719 -7.438 1.00 0.00 H new ATOM 1359 N ILE A 93 -4.653 7.275 -4.439 1.00 0.00 N ATOM 1360 CA ILE A 93 -5.317 6.658 -3.303 1.00 0.00 C ATOM 1361 C ILE A 93 -4.397 6.725 -2.082 1.00 0.00 C ATOM 1362 O ILE A 93 -4.853 6.992 -0.971 1.00 0.00 O ATOM 1363 CB ILE A 93 -5.770 5.239 -3.654 1.00 0.00 C ATOM 1364 CG1 ILE A 93 -7.037 5.265 -4.511 1.00 0.00 C ATOM 1365 CG2 ILE A 93 -5.948 4.393 -2.392 1.00 0.00 C ATOM 1366 CD1 ILE A 93 -7.425 3.855 -4.959 1.00 0.00 C ATOM 0 H ILE A 93 -4.451 6.640 -5.211 1.00 0.00 H new ATOM 0 HA ILE A 93 -6.225 7.205 -3.049 1.00 0.00 H new ATOM 0 HB ILE A 93 -4.988 4.767 -4.250 1.00 0.00 H new ATOM 0 HG12 ILE A 93 -7.855 5.708 -3.943 1.00 0.00 H new ATOM 0 HG13 ILE A 93 -6.876 5.897 -5.385 1.00 0.00 H new ATOM 0 HG21 ILE A 93 -6.270 3.389 -2.669 1.00 0.00 H new ATOM 0 HG22 ILE A 93 -5.001 4.335 -1.856 1.00 0.00 H new ATOM 0 HG23 ILE A 93 -6.700 4.851 -1.750 1.00 0.00 H new ATOM 0 HD11 ILE A 93 -8.329 3.902 -5.567 1.00 0.00 H new ATOM 0 HD12 ILE A 93 -6.615 3.424 -5.547 1.00 0.00 H new ATOM 0 HD13 ILE A 93 -7.609 3.233 -4.083 1.00 0.00 H new ATOM 1378 N ILE A 94 -3.118 6.478 -2.329 1.00 0.00 N ATOM 1379 CA ILE A 94 -2.132 6.506 -1.264 1.00 0.00 C ATOM 1380 C ILE A 94 -1.789 7.961 -0.931 1.00 0.00 C ATOM 1381 O ILE A 94 -2.121 8.449 0.147 1.00 0.00 O ATOM 1382 CB ILE A 94 -0.915 5.658 -1.638 1.00 0.00 C ATOM 1383 CG1 ILE A 94 -1.295 4.567 -2.641 1.00 0.00 C ATOM 1384 CG2 ILE A 94 -0.244 5.081 -0.390 1.00 0.00 C ATOM 1385 CD1 ILE A 94 -0.442 3.313 -2.435 1.00 0.00 C ATOM 0 H ILE A 94 -2.743 6.258 -3.252 1.00 0.00 H new ATOM 0 HA ILE A 94 -2.538 6.057 -0.357 1.00 0.00 H new ATOM 0 HB ILE A 94 -0.185 6.304 -2.126 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -2.350 4.316 -2.529 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -1.162 4.939 -3.657 1.00 0.00 H new ATOM 0 HG21 ILE A 94 0.618 4.482 -0.684 1.00 0.00 H new ATOM 0 HG22 ILE A 94 0.083 5.895 0.257 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -0.955 4.454 0.148 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -0.732 2.553 -3.160 1.00 0.00 H new ATOM 0 HD12 ILE A 94 0.610 3.562 -2.571 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -0.596 2.930 -1.426 1.00 0.00 H new ATOM 1397 N SER A 95 -1.129 8.611 -1.878 1.00 0.00 N ATOM 1398 CA SER A 95 -0.737 9.999 -1.699 1.00 0.00 C ATOM 1399 C SER A 95 -0.284 10.232 -0.257 1.00 0.00 C ATOM 1400 O SER A 95 -0.893 11.016 0.470 1.00 0.00 O ATOM 1401 CB SER A 95 -1.887 10.945 -2.054 1.00 0.00 C ATOM 1402 OG SER A 95 -1.453 12.299 -2.153 1.00 0.00 O ATOM 0 H SER A 95 -0.856 8.202 -2.772 1.00 0.00 H new ATOM 0 HA SER A 95 0.093 10.211 -2.373 1.00 0.00 H new ATOM 0 HB2 SER A 95 -2.331 10.637 -3.000 1.00 0.00 H new ATOM 0 HB3 SER A 95 -2.667 10.869 -1.296 1.00 0.00 H new ATOM 0 HG SER A 95 -2.215 12.871 -2.382 1.00 0.00 H new ATOM 1408 N GLN A 96 0.783 9.540 0.114 1.00 0.00 N ATOM 1409 CA GLN A 96 1.325 9.662 1.456 1.00 0.00 C ATOM 1410 C GLN A 96 0.218 10.028 2.445 1.00 0.00 C ATOM 1411 O GLN A 96 0.244 11.101 3.045 1.00 0.00 O ATOM 1412 CB GLN A 96 2.459 10.690 1.498 1.00 0.00 C ATOM 1413 CG GLN A 96 1.967 12.066 1.043 1.00 0.00 C ATOM 1414 CD GLN A 96 2.518 13.170 1.948 1.00 0.00 C ATOM 1415 OE1 GLN A 96 3.665 13.157 2.360 1.00 0.00 O ATOM 1416 NE2 GLN A 96 1.637 14.126 2.232 1.00 0.00 N ATOM 0 H GLN A 96 1.287 8.893 -0.492 1.00 0.00 H new ATOM 0 HA GLN A 96 1.741 8.698 1.747 1.00 0.00 H new ATOM 0 HB2 GLN A 96 2.856 10.758 2.511 1.00 0.00 H new ATOM 0 HB3 GLN A 96 3.277 10.362 0.857 1.00 0.00 H new ATOM 0 HG2 GLN A 96 2.277 12.245 0.014 1.00 0.00 H new ATOM 0 HG3 GLN A 96 0.877 12.090 1.056 1.00 0.00 H new ATOM 0 HE21 GLN A 96 0.691 14.076 1.854 1.00 0.00 H new ATOM 0 HE22 GLN A 96 1.908 14.908 2.828 1.00 0.00 H new ATOM 1425 N GLN A 97 -0.732 9.114 2.585 1.00 0.00 N ATOM 1426 CA GLN A 97 -1.848 9.326 3.492 1.00 0.00 C ATOM 1427 C GLN A 97 -1.362 9.982 4.786 1.00 0.00 C ATOM 1428 O GLN A 97 -0.590 9.386 5.536 1.00 0.00 O ATOM 1429 CB GLN A 97 -2.576 8.013 3.781 1.00 0.00 C ATOM 1430 CG GLN A 97 -3.859 7.903 2.954 1.00 0.00 C ATOM 1431 CD GLN A 97 -4.987 8.725 3.580 1.00 0.00 C ATOM 1432 OE1 GLN A 97 -4.769 9.616 4.385 1.00 0.00 O ATOM 1433 NE2 GLN A 97 -6.203 8.379 3.165 1.00 0.00 N ATOM 0 H GLN A 97 -0.752 8.225 2.085 1.00 0.00 H new ATOM 0 HA GLN A 97 -2.559 9.998 3.012 1.00 0.00 H new ATOM 0 HB2 GLN A 97 -1.920 7.172 3.555 1.00 0.00 H new ATOM 0 HB3 GLN A 97 -2.817 7.953 4.842 1.00 0.00 H new ATOM 0 HG2 GLN A 97 -3.672 8.250 1.938 1.00 0.00 H new ATOM 0 HG3 GLN A 97 -4.162 6.858 2.883 1.00 0.00 H new ATOM 0 HE21 GLN A 97 -6.315 7.624 2.489 1.00 0.00 H new ATOM 0 HE22 GLN A 97 -7.023 8.869 3.523 1.00 0.00 H new ATOM 1442 N SER A 98 -1.835 11.199 5.009 1.00 0.00 N ATOM 1443 CA SER A 98 -1.459 11.941 6.200 1.00 0.00 C ATOM 1444 C SER A 98 -1.727 11.098 7.449 1.00 0.00 C ATOM 1445 O SER A 98 -2.712 10.362 7.507 1.00 0.00 O ATOM 1446 CB SER A 98 -2.216 13.268 6.285 1.00 0.00 C ATOM 1447 OG SER A 98 -1.349 14.359 6.584 1.00 0.00 O ATOM 0 H SER A 98 -2.475 11.690 4.385 1.00 0.00 H new ATOM 0 HA SER A 98 -0.394 12.164 6.141 1.00 0.00 H new ATOM 0 HB2 SER A 98 -2.724 13.457 5.339 1.00 0.00 H new ATOM 0 HB3 SER A 98 -2.987 13.197 7.052 1.00 0.00 H new ATOM 0 HG SER A 98 -1.870 15.188 6.628 1.00 0.00 H new ATOM 1453 N GLY A 99 -0.832 11.232 8.418 1.00 0.00 N ATOM 1454 CA GLY A 99 -0.959 10.491 9.661 1.00 0.00 C ATOM 1455 C GLY A 99 -0.906 8.983 9.409 1.00 0.00 C ATOM 1456 O GLY A 99 -0.454 8.542 8.354 1.00 0.00 O ATOM 0 H GLY A 99 -0.017 11.843 8.367 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -0.158 10.778 10.343 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -1.900 10.749 10.148 1.00 0.00 H new ATOM 1460 N GLU A 100 -1.375 8.234 10.396 1.00 0.00 N ATOM 1461 CA GLU A 100 -1.387 6.784 10.294 1.00 0.00 C ATOM 1462 C GLU A 100 -2.125 6.347 9.027 1.00 0.00 C ATOM 1463 O GLU A 100 -3.049 7.023 8.578 1.00 0.00 O ATOM 1464 CB GLU A 100 -2.013 6.153 11.539 1.00 0.00 C ATOM 1465 CG GLU A 100 -1.570 4.698 11.698 1.00 0.00 C ATOM 1466 CD GLU A 100 -2.668 3.856 12.351 1.00 0.00 C ATOM 1467 OE1 GLU A 100 -2.928 4.095 13.550 1.00 0.00 O ATOM 1468 OE2 GLU A 100 -3.224 2.995 11.636 1.00 0.00 O ATOM 0 H GLU A 100 -1.749 8.603 11.270 1.00 0.00 H new ATOM 0 HA GLU A 100 -0.357 6.435 10.229 1.00 0.00 H new ATOM 0 HB2 GLU A 100 -1.726 6.723 12.423 1.00 0.00 H new ATOM 0 HB3 GLU A 100 -3.100 6.200 11.468 1.00 0.00 H new ATOM 0 HG2 GLU A 100 -1.320 4.282 10.722 1.00 0.00 H new ATOM 0 HG3 GLU A 100 -0.665 4.654 12.304 1.00 0.00 H new ATOM 1475 N ALA A 101 -1.688 5.219 8.486 1.00 0.00 N ATOM 1476 CA ALA A 101 -2.296 4.684 7.280 1.00 0.00 C ATOM 1477 C ALA A 101 -2.212 3.156 7.306 1.00 0.00 C ATOM 1478 O ALA A 101 -1.120 2.591 7.343 1.00 0.00 O ATOM 1479 CB ALA A 101 -1.607 5.284 6.052 1.00 0.00 C ATOM 0 H ALA A 101 -0.921 4.661 8.861 1.00 0.00 H new ATOM 0 HA ALA A 101 -3.350 4.956 7.229 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -2.063 4.883 5.147 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -1.719 6.368 6.065 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -0.547 5.029 6.068 1.00 0.00 H new ATOM 1485 N GLU A 102 -3.380 2.531 7.287 1.00 0.00 N ATOM 1486 CA GLU A 102 -3.453 1.080 7.309 1.00 0.00 C ATOM 1487 C GLU A 102 -3.106 0.511 5.932 1.00 0.00 C ATOM 1488 O GLU A 102 -3.572 1.016 4.912 1.00 0.00 O ATOM 1489 CB GLU A 102 -4.834 0.607 7.767 1.00 0.00 C ATOM 1490 CG GLU A 102 -4.744 -0.145 9.096 1.00 0.00 C ATOM 1491 CD GLU A 102 -6.071 -0.076 9.855 1.00 0.00 C ATOM 1492 OE1 GLU A 102 -7.094 -0.454 9.245 1.00 0.00 O ATOM 1493 OE2 GLU A 102 -6.031 0.351 11.029 1.00 0.00 O ATOM 0 H GLU A 102 -4.284 3.003 7.257 1.00 0.00 H new ATOM 0 HA GLU A 102 -2.723 0.709 8.028 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -5.499 1.464 7.875 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -5.271 -0.041 7.007 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -4.480 -1.186 8.912 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -3.949 0.282 9.707 1.00 0.00 H new ATOM 1500 N ILE A 103 -2.291 -0.534 5.947 1.00 0.00 N ATOM 1501 CA ILE A 103 -1.875 -1.177 4.712 1.00 0.00 C ATOM 1502 C ILE A 103 -2.284 -2.651 4.748 1.00 0.00 C ATOM 1503 O ILE A 103 -2.135 -3.316 5.773 1.00 0.00 O ATOM 1504 CB ILE A 103 -0.382 -0.959 4.470 1.00 0.00 C ATOM 1505 CG1 ILE A 103 0.156 -1.947 3.433 1.00 0.00 C ATOM 1506 CG2 ILE A 103 0.403 -1.021 5.782 1.00 0.00 C ATOM 1507 CD1 ILE A 103 1.521 -1.501 2.906 1.00 0.00 C ATOM 0 H ILE A 103 -1.908 -0.951 6.795 1.00 0.00 H new ATOM 0 HA ILE A 103 -2.381 -0.726 3.858 1.00 0.00 H new ATOM 0 HB ILE A 103 -0.246 0.042 4.062 1.00 0.00 H new ATOM 0 HG12 ILE A 103 0.241 -2.938 3.879 1.00 0.00 H new ATOM 0 HG13 ILE A 103 -0.548 -2.030 2.605 1.00 0.00 H new ATOM 0 HG21 ILE A 103 1.462 -0.863 5.580 1.00 0.00 H new ATOM 0 HG22 ILE A 103 0.043 -0.246 6.459 1.00 0.00 H new ATOM 0 HG23 ILE A 103 0.264 -1.999 6.243 1.00 0.00 H new ATOM 0 HD11 ILE A 103 1.880 -2.221 2.171 1.00 0.00 H new ATOM 0 HD12 ILE A 103 1.428 -0.521 2.439 1.00 0.00 H new ATOM 0 HD13 ILE A 103 2.229 -1.443 3.733 1.00 0.00 H new ATOM 1519 N CYS A 104 -2.791 -3.120 3.618 1.00 0.00 N ATOM 1520 CA CYS A 104 -3.222 -4.503 3.508 1.00 0.00 C ATOM 1521 C CYS A 104 -2.346 -5.197 2.462 1.00 0.00 C ATOM 1522 O CYS A 104 -2.496 -4.958 1.264 1.00 0.00 O ATOM 1523 CB CYS A 104 -4.709 -4.608 3.166 1.00 0.00 C ATOM 1524 SG CYS A 104 -5.707 -3.783 4.460 1.00 0.00 S ATOM 0 H CYS A 104 -2.913 -2.567 2.770 1.00 0.00 H new ATOM 0 HA CYS A 104 -3.102 -5.001 4.470 1.00 0.00 H new ATOM 0 HB2 CYS A 104 -4.901 -4.147 2.197 1.00 0.00 H new ATOM 0 HB3 CYS A 104 -4.999 -5.656 3.084 1.00 0.00 H new ATOM 0 HG CYS A 104 -6.968 -3.875 4.160 1.00 0.00 H new ATOM 1530 N VAL A 105 -1.452 -6.042 2.952 1.00 0.00 N ATOM 1531 CA VAL A 105 -0.552 -6.772 2.075 1.00 0.00 C ATOM 1532 C VAL A 105 -0.730 -8.274 2.303 1.00 0.00 C ATOM 1533 O VAL A 105 -1.295 -8.688 3.314 1.00 0.00 O ATOM 1534 CB VAL A 105 0.888 -6.301 2.292 1.00 0.00 C ATOM 1535 CG1 VAL A 105 1.069 -5.724 3.698 1.00 0.00 C ATOM 1536 CG2 VAL A 105 1.881 -7.436 2.033 1.00 0.00 C ATOM 0 H VAL A 105 -1.331 -6.238 3.946 1.00 0.00 H new ATOM 0 HA VAL A 105 -0.792 -6.571 1.031 1.00 0.00 H new ATOM 0 HB VAL A 105 1.093 -5.507 1.574 1.00 0.00 H new ATOM 0 HG11 VAL A 105 2.101 -5.397 3.827 1.00 0.00 H new ATOM 0 HG12 VAL A 105 0.399 -4.874 3.832 1.00 0.00 H new ATOM 0 HG13 VAL A 105 0.836 -6.490 4.438 1.00 0.00 H new ATOM 0 HG21 VAL A 105 2.897 -7.075 2.194 1.00 0.00 H new ATOM 0 HG22 VAL A 105 1.677 -8.261 2.715 1.00 0.00 H new ATOM 0 HG23 VAL A 105 1.778 -7.782 1.005 1.00 0.00 H new ATOM 1546 N ARG A 106 -0.239 -9.048 1.347 1.00 0.00 N ATOM 1547 CA ARG A 106 -0.338 -10.495 1.432 1.00 0.00 C ATOM 1548 C ARG A 106 0.969 -11.086 1.965 1.00 0.00 C ATOM 1549 O ARG A 106 2.044 -10.534 1.733 1.00 0.00 O ATOM 1550 CB ARG A 106 -0.645 -11.108 0.064 1.00 0.00 C ATOM 1551 CG ARG A 106 -0.613 -12.636 0.126 1.00 0.00 C ATOM 1552 CD ARG A 106 -0.971 -13.248 -1.228 1.00 0.00 C ATOM 1553 NE ARG A 106 -1.166 -14.709 -1.088 1.00 0.00 N ATOM 1554 CZ ARG A 106 -1.630 -15.502 -2.064 1.00 0.00 C ATOM 1555 NH1 ARG A 106 -1.948 -14.981 -3.257 1.00 0.00 N ATOM 1556 NH2 ARG A 106 -1.773 -16.817 -1.846 1.00 0.00 N ATOM 0 H ARG A 106 0.229 -8.701 0.510 1.00 0.00 H new ATOM 0 HA ARG A 106 -1.154 -10.731 2.115 1.00 0.00 H new ATOM 0 HB2 ARG A 106 -1.626 -10.775 -0.275 1.00 0.00 H new ATOM 0 HB3 ARG A 106 0.082 -10.755 -0.668 1.00 0.00 H new ATOM 0 HG2 ARG A 106 0.379 -12.970 0.429 1.00 0.00 H new ATOM 0 HG3 ARG A 106 -1.313 -12.987 0.884 1.00 0.00 H new ATOM 0 HD2 ARG A 106 -1.879 -12.787 -1.616 1.00 0.00 H new ATOM 0 HD3 ARG A 106 -0.178 -13.046 -1.949 1.00 0.00 H new ATOM 0 HE ARG A 106 -0.933 -15.139 -0.193 1.00 0.00 H new ATOM 0 HH11 ARG A 106 -1.837 -13.981 -3.423 1.00 0.00 H new ATOM 0 HH12 ARG A 106 -2.301 -15.585 -3.999 1.00 0.00 H new ATOM 0 HH21 ARG A 106 -1.529 -17.213 -0.938 1.00 0.00 H new ATOM 0 HH22 ARG A 106 -2.126 -17.422 -2.588 1.00 0.00 H new ATOM 1570 N LEU A 107 0.835 -12.201 2.667 1.00 0.00 N ATOM 1571 CA LEU A 107 1.992 -12.872 3.235 1.00 0.00 C ATOM 1572 C LEU A 107 2.707 -13.662 2.137 1.00 0.00 C ATOM 1573 O LEU A 107 3.808 -13.302 1.725 1.00 0.00 O ATOM 1574 CB LEU A 107 1.580 -13.725 4.437 1.00 0.00 C ATOM 1575 CG LEU A 107 1.411 -12.979 5.762 1.00 0.00 C ATOM 1576 CD1 LEU A 107 0.791 -13.886 6.827 1.00 0.00 C ATOM 1577 CD2 LEU A 107 2.739 -12.377 6.225 1.00 0.00 C ATOM 0 H LEU A 107 -0.058 -12.657 2.856 1.00 0.00 H new ATOM 0 HA LEU A 107 2.705 -12.143 3.620 1.00 0.00 H new ATOM 0 HB2 LEU A 107 0.639 -14.221 4.200 1.00 0.00 H new ATOM 0 HB3 LEU A 107 2.327 -14.507 4.576 1.00 0.00 H new ATOM 0 HG LEU A 107 0.720 -12.151 5.602 1.00 0.00 H new ATOM 0 HD11 LEU A 107 0.682 -13.331 7.759 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -0.188 -14.226 6.490 1.00 0.00 H new ATOM 0 HD13 LEU A 107 1.437 -14.748 6.992 1.00 0.00 H new ATOM 0 HD21 LEU A 107 2.591 -11.852 7.169 1.00 0.00 H new ATOM 0 HD22 LEU A 107 3.471 -13.173 6.363 1.00 0.00 H new ATOM 0 HD23 LEU A 107 3.103 -11.676 5.473 1.00 0.00 H new ATOM 1589 N ASP A 108 2.051 -14.725 1.694 1.00 0.00 N ATOM 1590 CA ASP A 108 2.610 -15.569 0.653 1.00 0.00 C ATOM 1591 C ASP A 108 2.685 -14.777 -0.655 1.00 0.00 C ATOM 1592 O ASP A 108 2.357 -13.591 -0.685 1.00 0.00 O ATOM 1593 CB ASP A 108 1.734 -16.799 0.409 1.00 0.00 C ATOM 1594 CG ASP A 108 2.491 -18.059 -0.017 1.00 0.00 C ATOM 1595 OD1 ASP A 108 3.700 -18.128 0.297 1.00 0.00 O ATOM 1596 OD2 ASP A 108 1.845 -18.924 -0.646 1.00 0.00 O ATOM 0 H ASP A 108 1.137 -15.021 2.038 1.00 0.00 H new ATOM 0 HA ASP A 108 3.600 -15.890 0.977 1.00 0.00 H new ATOM 0 HB2 ASP A 108 1.179 -17.018 1.321 1.00 0.00 H new ATOM 0 HB3 ASP A 108 1.000 -16.557 -0.360 1.00 0.00 H new ATOM 1601 N LEU A 109 3.117 -15.463 -1.701 1.00 0.00 N ATOM 1602 CA LEU A 109 3.238 -14.839 -3.009 1.00 0.00 C ATOM 1603 C LEU A 109 4.414 -13.860 -2.993 1.00 0.00 C ATOM 1604 O LEU A 109 5.498 -14.179 -3.478 1.00 0.00 O ATOM 1605 CB LEU A 109 1.910 -14.199 -3.422 1.00 0.00 C ATOM 1606 CG LEU A 109 1.813 -13.739 -4.877 1.00 0.00 C ATOM 1607 CD1 LEU A 109 0.404 -13.237 -5.200 1.00 0.00 C ATOM 1608 CD2 LEU A 109 2.881 -12.690 -5.193 1.00 0.00 C ATOM 0 H LEU A 109 3.388 -16.446 -1.671 1.00 0.00 H new ATOM 0 HA LEU A 109 3.455 -15.588 -3.771 1.00 0.00 H new ATOM 0 HB2 LEU A 109 1.110 -14.915 -3.234 1.00 0.00 H new ATOM 0 HB3 LEU A 109 1.727 -13.340 -2.777 1.00 0.00 H new ATOM 0 HG LEU A 109 2.005 -14.598 -5.520 1.00 0.00 H new ATOM 0 HD11 LEU A 109 0.362 -12.916 -6.241 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -0.314 -14.041 -5.039 1.00 0.00 H new ATOM 0 HD13 LEU A 109 0.160 -12.396 -4.551 1.00 0.00 H new ATOM 0 HD21 LEU A 109 2.790 -12.380 -6.234 1.00 0.00 H new ATOM 0 HD22 LEU A 109 2.745 -11.825 -4.544 1.00 0.00 H new ATOM 0 HD23 LEU A 109 3.870 -13.116 -5.027 1.00 0.00 H new ATOM 1620 N ASN A 110 4.158 -12.687 -2.433 1.00 0.00 N ATOM 1621 CA ASN A 110 5.182 -11.659 -2.348 1.00 0.00 C ATOM 1622 C ASN A 110 5.927 -11.576 -3.683 1.00 0.00 C ATOM 1623 O ASN A 110 6.908 -12.287 -3.894 1.00 0.00 O ATOM 1624 CB ASN A 110 6.203 -11.987 -1.257 1.00 0.00 C ATOM 1625 CG ASN A 110 7.361 -10.987 -1.271 1.00 0.00 C ATOM 1626 OD1 ASN A 110 7.438 -10.099 -2.104 1.00 0.00 O ATOM 1627 ND2 ASN A 110 8.254 -11.180 -0.305 1.00 0.00 N ATOM 0 H ASN A 110 3.257 -12.425 -2.034 1.00 0.00 H new ATOM 0 HA ASN A 110 4.692 -10.714 -2.111 1.00 0.00 H new ATOM 0 HB2 ASN A 110 5.716 -11.971 -0.282 1.00 0.00 H new ATOM 0 HB3 ASN A 110 6.587 -12.996 -1.405 1.00 0.00 H new ATOM 0 HD21 ASN A 110 9.064 -10.565 -0.229 1.00 0.00 H new ATOM 0 HD22 ASN A 110 8.129 -11.943 0.360 1.00 0.00 H new ATOM 1634 N MET A 111 5.432 -10.703 -4.547 1.00 0.00 N ATOM 1635 CA MET A 111 6.038 -10.518 -5.854 1.00 0.00 C ATOM 1636 C MET A 111 7.563 -10.620 -5.771 1.00 0.00 C ATOM 1637 O MET A 111 8.198 -11.214 -6.640 1.00 0.00 O ATOM 1638 CB MET A 111 5.647 -9.147 -6.410 1.00 0.00 C ATOM 1639 CG MET A 111 4.131 -9.040 -6.587 1.00 0.00 C ATOM 1640 SD MET A 111 3.754 -8.128 -8.075 1.00 0.00 S ATOM 1641 CE MET A 111 2.343 -7.189 -7.513 1.00 0.00 C ATOM 0 H MET A 111 4.618 -10.116 -4.367 1.00 0.00 H new ATOM 0 HA MET A 111 5.675 -11.304 -6.516 1.00 0.00 H new ATOM 0 HB2 MET A 111 5.994 -8.364 -5.735 1.00 0.00 H new ATOM 0 HB3 MET A 111 6.141 -8.985 -7.368 1.00 0.00 H new ATOM 0 HG2 MET A 111 3.691 -10.036 -6.640 1.00 0.00 H new ATOM 0 HG3 MET A 111 3.690 -8.542 -5.724 1.00 0.00 H new ATOM 0 HE1 MET A 111 1.456 -7.498 -8.067 1.00 0.00 H new ATOM 0 HE2 MET A 111 2.187 -7.368 -6.449 1.00 0.00 H new ATOM 0 HE3 MET A 111 2.523 -6.127 -7.680 1.00 0.00 H new