USER MOD reduce.3.24.130724 H: found=0, std=0, add=608, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 609 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 60 ASN : amide:sc= -7.61! C(o=-7.6!,f=-19!) USER MOD Set 1.2: A 79 SER OG : rot -113:sc= 0.0447 USER MOD Set 2.1: A 16 LYS NZ :NH3+ -172:sc= 1.6 (180deg=0.809) USER MOD Set 2.2: A 21 TYR OH : rot 30:sc= 1.02 USER MOD Single : A 12 CYS SG : rot -70:sc= -1.43 USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 THR OG1 : rot 34:sc= 0.037 USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 MET CE :methyl -131:sc= 0 (180deg=-2.6!) USER MOD Single : A 37 THR OG1 : rot -130:sc= -0.701 USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 GLN : amide:sc= -0.109 K(o=-0.11,f=-0.78) USER MOD Single : A 46 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 55 HIS : no HD1:sc= -0.87 K(o=-0.87,f=-1.4) USER MOD Single : A 63 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 69 HIS : no HD1:sc= -2.36 K(o=-2.4,f=-4.9!) USER MOD Single : A 75 LYS NZ :NH3+ -112:sc= 0 (180deg=-0.953) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 LYS NZ :NH3+ 147:sc= -0.0449 (180deg=-1.06) USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 84 MET CE :methyl -165:sc= -0.153 (180deg=-0.658) USER MOD Single : A 90 LYS NZ :NH3+ -141:sc= -0.584 (180deg=-1.04) USER MOD ----------------------------------------------------------------- ATOM 83 N PRO A 9 -0.307 -8.709 -12.108 1.00 0.00 N ATOM 84 CA PRO A 9 -0.529 -7.684 -11.085 1.00 0.00 C ATOM 85 C PRO A 9 -0.151 -6.289 -11.570 1.00 0.00 C ATOM 86 O PRO A 9 0.448 -6.133 -12.634 1.00 0.00 O ATOM 87 CB PRO A 9 0.390 -8.119 -9.941 1.00 0.00 C ATOM 88 CG PRO A 9 1.465 -8.913 -10.599 1.00 0.00 C ATOM 89 CD PRO A 9 0.814 -9.602 -11.767 1.00 0.00 C ATOM 0 HA PRO A 9 -1.579 -7.612 -10.803 1.00 0.00 H new ATOM 0 HB2 PRO A 9 0.800 -7.258 -9.414 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -0.149 -8.716 -9.205 1.00 0.00 H new ATOM 0 HG2 PRO A 9 2.279 -8.268 -10.930 1.00 0.00 H new ATOM 0 HG3 PRO A 9 1.894 -9.638 -9.907 1.00 0.00 H new ATOM 0 HD2 PRO A 9 1.505 -9.717 -12.602 1.00 0.00 H new ATOM 0 HD3 PRO A 9 0.466 -10.600 -11.502 1.00 0.00 H new ATOM 97 N ARG A 10 -0.505 -5.277 -10.784 1.00 0.00 N ATOM 98 CA ARG A 10 -0.203 -3.895 -11.135 1.00 0.00 C ATOM 99 C ARG A 10 1.062 -3.418 -10.428 1.00 0.00 C ATOM 100 O ARG A 10 1.394 -3.890 -9.340 1.00 0.00 O ATOM 101 CB ARG A 10 -1.378 -2.985 -10.769 1.00 0.00 C ATOM 102 CG ARG A 10 -2.518 -3.029 -11.774 1.00 0.00 C ATOM 103 CD ARG A 10 -2.188 -2.233 -13.026 1.00 0.00 C ATOM 104 NE ARG A 10 -1.520 -3.051 -14.035 1.00 0.00 N ATOM 105 CZ ARG A 10 -1.347 -2.668 -15.295 1.00 0.00 C ATOM 106 NH1 ARG A 10 -1.789 -1.485 -15.698 1.00 0.00 N ATOM 107 NH2 ARG A 10 -0.730 -3.468 -16.154 1.00 0.00 N ATOM 0 H ARG A 10 -1.001 -5.389 -9.900 1.00 0.00 H new ATOM 0 HA ARG A 10 -0.037 -3.848 -12.211 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -1.758 -3.273 -9.789 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -1.019 -1.959 -10.684 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -2.726 -4.064 -12.044 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -3.423 -2.630 -11.316 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -3.105 -1.819 -13.444 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -1.549 -1.390 -12.762 1.00 0.00 H new ATOM 0 HE ARG A 10 -1.167 -3.967 -13.757 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -2.263 -0.867 -15.040 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -1.655 -1.193 -16.666 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -0.388 -4.379 -15.847 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -0.598 -3.173 -17.121 1.00 0.00 H new ATOM 121 N LEU A 11 1.766 -2.481 -11.054 1.00 0.00 N ATOM 122 CA LEU A 11 2.996 -1.940 -10.486 1.00 0.00 C ATOM 123 C LEU A 11 2.776 -0.526 -9.958 1.00 0.00 C ATOM 124 O LEU A 11 2.590 0.414 -10.731 1.00 0.00 O ATOM 125 CB LEU A 11 4.108 -1.938 -11.536 1.00 0.00 C ATOM 126 CG LEU A 11 5.526 -1.709 -11.011 1.00 0.00 C ATOM 127 CD1 LEU A 11 5.606 -0.399 -10.243 1.00 0.00 C ATOM 128 CD2 LEU A 11 5.964 -2.872 -10.133 1.00 0.00 C ATOM 0 H LEU A 11 1.506 -2.080 -11.955 1.00 0.00 H new ATOM 0 HA LEU A 11 3.293 -2.577 -9.653 1.00 0.00 H new ATOM 0 HB2 LEU A 11 4.086 -2.893 -12.061 1.00 0.00 H new ATOM 0 HB3 LEU A 11 3.885 -1.165 -12.271 1.00 0.00 H new ATOM 0 HG LEU A 11 6.203 -1.648 -11.863 1.00 0.00 H new ATOM 0 HD11 LEU A 11 6.622 -0.253 -9.877 1.00 0.00 H new ATOM 0 HD12 LEU A 11 5.336 0.426 -10.902 1.00 0.00 H new ATOM 0 HD13 LEU A 11 4.917 -0.430 -9.399 1.00 0.00 H new ATOM 0 HD21 LEU A 11 6.975 -2.692 -9.768 1.00 0.00 H new ATOM 0 HD22 LEU A 11 5.284 -2.965 -9.286 1.00 0.00 H new ATOM 0 HD23 LEU A 11 5.947 -3.794 -10.715 1.00 0.00 H new ATOM 140 N CYS A 12 2.801 -0.383 -8.637 1.00 0.00 N ATOM 141 CA CYS A 12 2.606 0.917 -8.005 1.00 0.00 C ATOM 142 C CYS A 12 3.945 1.572 -7.686 1.00 0.00 C ATOM 143 O CYS A 12 4.570 1.269 -6.669 1.00 0.00 O ATOM 144 CB CYS A 12 1.780 0.767 -6.727 1.00 0.00 C ATOM 145 SG CYS A 12 0.170 -0.017 -6.976 1.00 0.00 S ATOM 0 H CYS A 12 2.954 -1.151 -7.983 1.00 0.00 H new ATOM 0 HA CYS A 12 2.067 1.556 -8.704 1.00 0.00 H new ATOM 0 HB2 CYS A 12 2.350 0.181 -6.006 1.00 0.00 H new ATOM 0 HB3 CYS A 12 1.628 1.753 -6.288 1.00 0.00 H new ATOM 0 HG CYS A 12 -0.608 0.790 -7.634 1.00 0.00 H new ATOM 151 N TYR A 13 4.382 2.471 -8.561 1.00 0.00 N ATOM 152 CA TYR A 13 5.649 3.167 -8.375 1.00 0.00 C ATOM 153 C TYR A 13 5.468 4.406 -7.504 1.00 0.00 C ATOM 154 O TYR A 13 4.955 5.429 -7.959 1.00 0.00 O ATOM 155 CB TYR A 13 6.241 3.563 -9.728 1.00 0.00 C ATOM 156 CG TYR A 13 7.753 3.565 -9.751 1.00 0.00 C ATOM 157 CD1 TYR A 13 8.468 2.374 -9.791 1.00 0.00 C ATOM 158 CD2 TYR A 13 8.467 4.757 -9.731 1.00 0.00 C ATOM 159 CE1 TYR A 13 9.849 2.371 -9.811 1.00 0.00 C ATOM 160 CE2 TYR A 13 9.848 4.763 -9.752 1.00 0.00 C ATOM 161 CZ TYR A 13 10.535 3.568 -9.792 1.00 0.00 C ATOM 162 OH TYR A 13 11.911 3.570 -9.812 1.00 0.00 O ATOM 0 H TYR A 13 3.877 2.735 -9.407 1.00 0.00 H new ATOM 0 HA TYR A 13 6.336 2.488 -7.870 1.00 0.00 H new ATOM 0 HB2 TYR A 13 5.875 2.875 -10.490 1.00 0.00 H new ATOM 0 HB3 TYR A 13 5.881 4.556 -9.996 1.00 0.00 H new ATOM 0 HD1 TYR A 13 7.935 1.435 -9.807 1.00 0.00 H new ATOM 0 HD2 TYR A 13 7.933 5.695 -9.698 1.00 0.00 H new ATOM 0 HE1 TYR A 13 10.389 1.436 -9.841 1.00 0.00 H new ATOM 0 HE2 TYR A 13 10.387 5.699 -9.737 1.00 0.00 H new ATOM 0 HH TYR A 13 12.237 4.494 -9.795 1.00 0.00 H new ATOM 172 N LEU A 14 5.892 4.307 -6.249 1.00 0.00 N ATOM 173 CA LEU A 14 5.778 5.419 -5.312 1.00 0.00 C ATOM 174 C LEU A 14 7.015 6.310 -5.371 1.00 0.00 C ATOM 175 O LEU A 14 8.124 5.835 -5.617 1.00 0.00 O ATOM 176 CB LEU A 14 5.581 4.894 -3.889 1.00 0.00 C ATOM 177 CG LEU A 14 4.133 4.681 -3.447 1.00 0.00 C ATOM 178 CD1 LEU A 14 3.511 5.995 -3.001 1.00 0.00 C ATOM 179 CD2 LEU A 14 3.318 4.058 -4.572 1.00 0.00 C ATOM 0 H LEU A 14 6.318 3.467 -5.857 1.00 0.00 H new ATOM 0 HA LEU A 14 4.910 6.014 -5.597 1.00 0.00 H new ATOM 0 HB2 LEU A 14 6.111 3.946 -3.796 1.00 0.00 H new ATOM 0 HB3 LEU A 14 6.052 5.592 -3.197 1.00 0.00 H new ATOM 0 HG LEU A 14 4.130 3.996 -2.599 1.00 0.00 H new ATOM 0 HD11 LEU A 14 2.481 5.823 -2.690 1.00 0.00 H new ATOM 0 HD12 LEU A 14 4.079 6.401 -2.164 1.00 0.00 H new ATOM 0 HD13 LEU A 14 3.527 6.704 -3.828 1.00 0.00 H new ATOM 0 HD21 LEU A 14 2.290 3.914 -4.240 1.00 0.00 H new ATOM 0 HD22 LEU A 14 3.330 4.719 -5.439 1.00 0.00 H new ATOM 0 HD23 LEU A 14 3.750 3.095 -4.844 1.00 0.00 H new ATOM 191 N VAL A 15 6.817 7.604 -5.142 1.00 0.00 N ATOM 192 CA VAL A 15 7.917 8.561 -5.166 1.00 0.00 C ATOM 193 C VAL A 15 7.711 9.660 -4.129 1.00 0.00 C ATOM 194 O VAL A 15 6.729 10.401 -4.179 1.00 0.00 O ATOM 195 CB VAL A 15 8.070 9.205 -6.556 1.00 0.00 C ATOM 196 CG1 VAL A 15 9.087 10.336 -6.512 1.00 0.00 C ATOM 197 CG2 VAL A 15 8.469 8.159 -7.586 1.00 0.00 C ATOM 0 H VAL A 15 5.906 8.014 -4.938 1.00 0.00 H new ATOM 0 HA VAL A 15 8.825 8.006 -4.929 1.00 0.00 H new ATOM 0 HB VAL A 15 7.108 9.625 -6.851 1.00 0.00 H new ATOM 0 HG11 VAL A 15 9.182 10.779 -7.503 1.00 0.00 H new ATOM 0 HG12 VAL A 15 8.755 11.096 -5.805 1.00 0.00 H new ATOM 0 HG13 VAL A 15 10.054 9.944 -6.196 1.00 0.00 H new ATOM 0 HG21 VAL A 15 8.573 8.631 -8.563 1.00 0.00 H new ATOM 0 HG22 VAL A 15 9.419 7.709 -7.298 1.00 0.00 H new ATOM 0 HG23 VAL A 15 7.702 7.387 -7.636 1.00 0.00 H new ATOM 207 N LYS A 16 8.644 9.761 -3.188 1.00 0.00 N ATOM 208 CA LYS A 16 8.568 10.770 -2.139 1.00 0.00 C ATOM 209 C LYS A 16 8.301 12.150 -2.730 1.00 0.00 C ATOM 210 O LYS A 16 9.198 12.779 -3.292 1.00 0.00 O ATOM 211 CB LYS A 16 9.867 10.793 -1.330 1.00 0.00 C ATOM 212 CG LYS A 16 9.855 9.857 -0.134 1.00 0.00 C ATOM 213 CD LYS A 16 11.191 9.861 0.591 1.00 0.00 C ATOM 214 CE LYS A 16 11.116 9.091 1.901 1.00 0.00 C ATOM 215 NZ LYS A 16 11.139 7.619 1.682 1.00 0.00 N ATOM 0 H LYS A 16 9.463 9.155 -3.131 1.00 0.00 H new ATOM 0 HA LYS A 16 7.740 10.510 -1.479 1.00 0.00 H new ATOM 0 HB2 LYS A 16 10.697 10.524 -1.983 1.00 0.00 H new ATOM 0 HB3 LYS A 16 10.051 11.810 -0.983 1.00 0.00 H new ATOM 0 HG2 LYS A 16 9.065 10.156 0.555 1.00 0.00 H new ATOM 0 HG3 LYS A 16 9.623 8.845 -0.465 1.00 0.00 H new ATOM 0 HD2 LYS A 16 11.955 9.419 -0.049 1.00 0.00 H new ATOM 0 HD3 LYS A 16 11.496 10.889 0.789 1.00 0.00 H new ATOM 0 HE2 LYS A 16 11.953 9.376 2.538 1.00 0.00 H new ATOM 0 HE3 LYS A 16 10.204 9.365 2.431 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 10.950 7.131 2.581 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 10.409 7.360 0.988 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 12.073 7.336 1.324 1.00 0.00 H new ATOM 229 N GLU A 17 7.063 12.616 -2.598 1.00 0.00 N ATOM 230 CA GLU A 17 6.679 13.923 -3.120 1.00 0.00 C ATOM 231 C GLU A 17 6.618 14.959 -2.000 1.00 0.00 C ATOM 232 O GLU A 17 7.375 15.929 -1.995 1.00 0.00 O ATOM 233 CB GLU A 17 5.324 13.838 -3.825 1.00 0.00 C ATOM 234 CG GLU A 17 5.403 13.253 -5.225 1.00 0.00 C ATOM 235 CD GLU A 17 4.204 13.619 -6.079 1.00 0.00 C ATOM 236 OE1 GLU A 17 3.159 13.991 -5.506 1.00 0.00 O ATOM 237 OE2 GLU A 17 4.313 13.535 -7.320 1.00 0.00 O ATOM 0 H GLU A 17 6.309 12.109 -2.135 1.00 0.00 H new ATOM 0 HA GLU A 17 7.436 14.235 -3.840 1.00 0.00 H new ATOM 0 HB2 GLU A 17 4.648 13.230 -3.224 1.00 0.00 H new ATOM 0 HB3 GLU A 17 4.890 14.836 -3.881 1.00 0.00 H new ATOM 0 HG2 GLU A 17 6.312 13.606 -5.711 1.00 0.00 H new ATOM 0 HG3 GLU A 17 5.479 12.168 -5.157 1.00 0.00 H new ATOM 244 N GLY A 18 5.710 14.744 -1.053 1.00 0.00 N ATOM 245 CA GLY A 18 5.566 15.667 0.058 1.00 0.00 C ATOM 246 C GLY A 18 5.547 14.961 1.399 1.00 0.00 C ATOM 247 O GLY A 18 4.848 13.964 1.574 1.00 0.00 O ATOM 0 H GLY A 18 5.072 13.948 -1.035 1.00 0.00 H new ATOM 0 HA2 GLY A 18 6.387 16.384 0.040 1.00 0.00 H new ATOM 0 HA3 GLY A 18 4.644 16.235 -0.063 1.00 0.00 H new ATOM 251 N GLY A 19 6.318 15.479 2.350 1.00 0.00 N ATOM 252 CA GLY A 19 6.374 14.878 3.670 1.00 0.00 C ATOM 253 C GLY A 19 6.554 13.374 3.615 1.00 0.00 C ATOM 254 O GLY A 19 7.655 12.883 3.363 1.00 0.00 O ATOM 0 H GLY A 19 6.905 16.304 2.230 1.00 0.00 H new ATOM 0 HA2 GLY A 19 7.197 15.319 4.232 1.00 0.00 H new ATOM 0 HA3 GLY A 19 5.457 15.112 4.211 1.00 0.00 H new ATOM 258 N SER A 20 5.472 12.640 3.852 1.00 0.00 N ATOM 259 CA SER A 20 5.516 11.183 3.834 1.00 0.00 C ATOM 260 C SER A 20 4.583 10.624 2.764 1.00 0.00 C ATOM 261 O SER A 20 3.637 11.289 2.341 1.00 0.00 O ATOM 262 CB SER A 20 5.133 10.622 5.205 1.00 0.00 C ATOM 263 OG SER A 20 3.803 10.974 5.546 1.00 0.00 O ATOM 0 H SER A 20 4.553 13.031 4.059 1.00 0.00 H new ATOM 0 HA SER A 20 6.535 10.878 3.597 1.00 0.00 H new ATOM 0 HB2 SER A 20 5.235 9.537 5.199 1.00 0.00 H new ATOM 0 HB3 SER A 20 5.819 11.003 5.962 1.00 0.00 H new ATOM 0 HG SER A 20 3.582 10.602 6.425 1.00 0.00 H new ATOM 269 N TYR A 21 4.857 9.399 2.331 1.00 0.00 N ATOM 270 CA TYR A 21 4.044 8.750 1.309 1.00 0.00 C ATOM 271 C TYR A 21 2.560 8.853 1.647 1.00 0.00 C ATOM 272 O TYR A 21 2.189 9.208 2.765 1.00 0.00 O ATOM 273 CB TYR A 21 4.445 7.281 1.165 1.00 0.00 C ATOM 274 CG TYR A 21 5.871 7.085 0.700 1.00 0.00 C ATOM 275 CD1 TYR A 21 6.206 7.201 -0.643 1.00 0.00 C ATOM 276 CD2 TYR A 21 6.882 6.784 1.604 1.00 0.00 C ATOM 277 CE1 TYR A 21 7.507 7.023 -1.073 1.00 0.00 C ATOM 278 CE2 TYR A 21 8.185 6.605 1.184 1.00 0.00 C ATOM 279 CZ TYR A 21 8.493 6.725 -0.156 1.00 0.00 C ATOM 280 OH TYR A 21 9.790 6.546 -0.578 1.00 0.00 O ATOM 0 H TYR A 21 5.636 8.835 2.672 1.00 0.00 H new ATOM 0 HA TYR A 21 4.219 9.262 0.363 1.00 0.00 H new ATOM 0 HB2 TYR A 21 4.313 6.781 2.125 1.00 0.00 H new ATOM 0 HB3 TYR A 21 3.771 6.797 0.458 1.00 0.00 H new ATOM 0 HD1 TYR A 21 5.436 7.434 -1.364 1.00 0.00 H new ATOM 0 HD2 TYR A 21 6.645 6.688 2.653 1.00 0.00 H new ATOM 0 HE1 TYR A 21 7.750 7.117 -2.121 1.00 0.00 H new ATOM 0 HE2 TYR A 21 8.959 6.372 1.900 1.00 0.00 H new ATOM 0 HH TYR A 21 9.953 7.093 -1.375 1.00 0.00 H new ATOM 290 N GLY A 22 1.714 8.538 0.670 1.00 0.00 N ATOM 291 CA GLY A 22 0.280 8.601 0.882 1.00 0.00 C ATOM 292 C GLY A 22 -0.330 7.234 1.125 1.00 0.00 C ATOM 293 O GLY A 22 -1.398 6.921 0.597 1.00 0.00 O ATOM 0 H GLY A 22 1.997 8.241 -0.264 1.00 0.00 H new ATOM 0 HA2 GLY A 22 0.070 9.246 1.735 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -0.193 9.057 0.013 1.00 0.00 H new ATOM 297 N PHE A 23 0.349 6.418 1.924 1.00 0.00 N ATOM 298 CA PHE A 23 -0.132 5.077 2.233 1.00 0.00 C ATOM 299 C PHE A 23 0.350 4.631 3.611 1.00 0.00 C ATOM 300 O PHE A 23 1.404 5.059 4.080 1.00 0.00 O ATOM 301 CB PHE A 23 0.342 4.085 1.169 1.00 0.00 C ATOM 302 CG PHE A 23 1.831 3.889 1.153 1.00 0.00 C ATOM 303 CD1 PHE A 23 2.438 3.014 2.039 1.00 0.00 C ATOM 304 CD2 PHE A 23 2.624 4.580 0.251 1.00 0.00 C ATOM 305 CE1 PHE A 23 3.808 2.831 2.026 1.00 0.00 C ATOM 306 CE2 PHE A 23 3.994 4.401 0.233 1.00 0.00 C ATOM 307 CZ PHE A 23 4.587 3.527 1.123 1.00 0.00 C ATOM 0 H PHE A 23 1.234 6.662 2.369 1.00 0.00 H new ATOM 0 HA PHE A 23 -1.222 5.101 2.238 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -0.141 3.123 1.340 1.00 0.00 H new ATOM 0 HB3 PHE A 23 0.019 4.434 0.188 1.00 0.00 H new ATOM 0 HD1 PHE A 23 1.834 2.468 2.748 1.00 0.00 H new ATOM 0 HD2 PHE A 23 2.166 5.266 -0.446 1.00 0.00 H new ATOM 0 HE1 PHE A 23 4.269 2.145 2.721 1.00 0.00 H new ATOM 0 HE2 PHE A 23 4.601 4.944 -0.476 1.00 0.00 H new ATOM 0 HZ PHE A 23 5.658 3.388 1.113 1.00 0.00 H new ATOM 317 N SER A 24 -0.431 3.768 4.253 1.00 0.00 N ATOM 318 CA SER A 24 -0.087 3.267 5.579 1.00 0.00 C ATOM 319 C SER A 24 -0.147 1.743 5.615 1.00 0.00 C ATOM 320 O SER A 24 -0.964 1.125 4.931 1.00 0.00 O ATOM 321 CB SER A 24 -1.034 3.851 6.629 1.00 0.00 C ATOM 322 OG SER A 24 -0.669 5.179 6.962 1.00 0.00 O ATOM 0 H SER A 24 -1.305 3.401 3.877 1.00 0.00 H new ATOM 0 HA SER A 24 0.932 3.579 5.806 1.00 0.00 H new ATOM 0 HB2 SER A 24 -2.056 3.835 6.250 1.00 0.00 H new ATOM 0 HB3 SER A 24 -1.016 3.230 7.525 1.00 0.00 H new ATOM 0 HG SER A 24 -1.290 5.530 7.633 1.00 0.00 H new ATOM 328 N LEU A 25 0.724 1.142 6.419 1.00 0.00 N ATOM 329 CA LEU A 25 0.772 -0.311 6.546 1.00 0.00 C ATOM 330 C LEU A 25 0.235 -0.756 7.902 1.00 0.00 C ATOM 331 O LEU A 25 0.332 -0.028 8.891 1.00 0.00 O ATOM 332 CB LEU A 25 2.206 -0.811 6.363 1.00 0.00 C ATOM 333 CG LEU A 25 2.957 -0.266 5.147 1.00 0.00 C ATOM 334 CD1 LEU A 25 4.444 -0.561 5.263 1.00 0.00 C ATOM 335 CD2 LEU A 25 2.393 -0.857 3.863 1.00 0.00 C ATOM 0 H LEU A 25 1.406 1.638 6.992 1.00 0.00 H new ATOM 0 HA LEU A 25 0.142 -0.741 5.767 1.00 0.00 H new ATOM 0 HB2 LEU A 25 2.774 -0.560 7.259 1.00 0.00 H new ATOM 0 HB3 LEU A 25 2.184 -1.899 6.294 1.00 0.00 H new ATOM 0 HG LEU A 25 2.823 0.815 5.115 1.00 0.00 H new ATOM 0 HD11 LEU A 25 4.963 -0.166 4.389 1.00 0.00 H new ATOM 0 HD12 LEU A 25 4.839 -0.090 6.163 1.00 0.00 H new ATOM 0 HD13 LEU A 25 4.598 -1.639 5.320 1.00 0.00 H new ATOM 0 HD21 LEU A 25 2.939 -0.458 3.008 1.00 0.00 H new ATOM 0 HD22 LEU A 25 2.496 -1.942 3.886 1.00 0.00 H new ATOM 0 HD23 LEU A 25 1.339 -0.595 3.774 1.00 0.00 H new ATOM 347 N LYS A 26 -0.330 -1.958 7.943 1.00 0.00 N ATOM 348 CA LYS A 26 -0.880 -2.504 9.179 1.00 0.00 C ATOM 349 C LYS A 26 -0.850 -4.029 9.160 1.00 0.00 C ATOM 350 O LYS A 26 -0.915 -4.649 8.098 1.00 0.00 O ATOM 351 CB LYS A 26 -2.315 -2.014 9.383 1.00 0.00 C ATOM 352 CG LYS A 26 -3.239 -2.334 8.220 1.00 0.00 C ATOM 353 CD LYS A 26 -4.683 -1.995 8.546 1.00 0.00 C ATOM 354 CE LYS A 26 -5.359 -3.117 9.318 1.00 0.00 C ATOM 355 NZ LYS A 26 -6.616 -2.661 9.975 1.00 0.00 N ATOM 0 H LYS A 26 -0.419 -2.573 7.134 1.00 0.00 H new ATOM 0 HA LYS A 26 -0.263 -2.156 10.007 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -2.718 -2.464 10.290 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -2.303 -0.935 9.540 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -2.923 -1.775 7.339 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -3.160 -3.392 7.972 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -4.719 -1.076 9.132 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -5.231 -1.806 7.623 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -5.582 -3.941 8.640 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -4.674 -3.502 10.073 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -7.046 -3.455 10.491 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -6.400 -1.892 10.641 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -7.280 -2.317 9.253 1.00 0.00 H new ATOM 369 N THR A 27 -0.753 -4.629 10.343 1.00 0.00 N ATOM 370 CA THR A 27 -0.715 -6.081 10.462 1.00 0.00 C ATOM 371 C THR A 27 -1.960 -6.607 11.168 1.00 0.00 C ATOM 372 O THR A 27 -2.352 -6.098 12.218 1.00 0.00 O ATOM 373 CB THR A 27 0.534 -6.549 11.231 1.00 0.00 C ATOM 374 OG1 THR A 27 0.631 -5.852 12.478 1.00 0.00 O ATOM 375 CG2 THR A 27 1.794 -6.311 10.413 1.00 0.00 C ATOM 0 H THR A 27 -0.699 -4.131 11.232 1.00 0.00 H new ATOM 0 HA THR A 27 -0.679 -6.481 9.449 1.00 0.00 H new ATOM 0 HB THR A 27 0.438 -7.618 11.419 1.00 0.00 H new ATOM 0 HG1 THR A 27 -0.268 -5.671 12.822 1.00 0.00 H new ATOM 0 HG21 THR A 27 2.663 -6.649 10.977 1.00 0.00 H new ATOM 0 HG22 THR A 27 1.730 -6.866 9.477 1.00 0.00 H new ATOM 0 HG23 THR A 27 1.893 -5.247 10.198 1.00 0.00 H new ATOM 383 N VAL A 28 -2.577 -7.630 10.586 1.00 0.00 N ATOM 384 CA VAL A 28 -3.776 -8.227 11.161 1.00 0.00 C ATOM 385 C VAL A 28 -3.498 -9.635 11.674 1.00 0.00 C ATOM 386 O VAL A 28 -2.847 -10.434 11.001 1.00 0.00 O ATOM 387 CB VAL A 28 -4.922 -8.285 10.133 1.00 0.00 C ATOM 388 CG1 VAL A 28 -6.208 -8.760 10.793 1.00 0.00 C ATOM 389 CG2 VAL A 28 -5.120 -6.926 9.479 1.00 0.00 C ATOM 0 H VAL A 28 -2.266 -8.063 9.716 1.00 0.00 H new ATOM 0 HA VAL A 28 -4.076 -7.592 11.995 1.00 0.00 H new ATOM 0 HB VAL A 28 -4.654 -9.001 9.356 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -7.006 -8.795 10.052 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -6.057 -9.756 11.210 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -6.484 -8.070 11.591 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -5.933 -6.985 8.756 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -5.366 -6.187 10.242 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -4.203 -6.630 8.970 1.00 0.00 H new ATOM 467 N GLY A 33 2.349 -10.826 6.385 1.00 0.00 N ATOM 468 CA GLY A 33 3.003 -9.611 5.933 1.00 0.00 C ATOM 469 C GLY A 33 2.155 -8.376 6.162 1.00 0.00 C ATOM 470 O GLY A 33 1.511 -8.240 7.203 1.00 0.00 O ATOM 0 HA2 GLY A 33 3.953 -9.498 6.455 1.00 0.00 H new ATOM 0 HA3 GLY A 33 3.232 -9.699 4.871 1.00 0.00 H new ATOM 474 N VAL A 34 2.154 -7.472 5.188 1.00 0.00 N ATOM 475 CA VAL A 34 1.379 -6.241 5.288 1.00 0.00 C ATOM 476 C VAL A 34 0.713 -5.901 3.960 1.00 0.00 C ATOM 477 O VAL A 34 1.057 -6.462 2.920 1.00 0.00 O ATOM 478 CB VAL A 34 2.261 -5.056 5.726 1.00 0.00 C ATOM 479 CG1 VAL A 34 2.541 -5.122 7.219 1.00 0.00 C ATOM 480 CG2 VAL A 34 3.558 -5.037 4.932 1.00 0.00 C ATOM 0 H VAL A 34 2.681 -7.569 4.320 1.00 0.00 H new ATOM 0 HA VAL A 34 0.611 -6.411 6.043 1.00 0.00 H new ATOM 0 HB VAL A 34 1.723 -4.130 5.523 1.00 0.00 H new ATOM 0 HG11 VAL A 34 3.165 -4.277 7.510 1.00 0.00 H new ATOM 0 HG12 VAL A 34 1.600 -5.084 7.768 1.00 0.00 H new ATOM 0 HG13 VAL A 34 3.059 -6.053 7.451 1.00 0.00 H new ATOM 0 HG21 VAL A 34 4.169 -4.194 5.254 1.00 0.00 H new ATOM 0 HG22 VAL A 34 4.102 -5.966 5.102 1.00 0.00 H new ATOM 0 HG23 VAL A 34 3.333 -4.938 3.870 1.00 0.00 H new ATOM 490 N TYR A 35 -0.242 -4.979 4.003 1.00 0.00 N ATOM 491 CA TYR A 35 -0.959 -4.565 2.802 1.00 0.00 C ATOM 492 C TYR A 35 -1.528 -3.159 2.965 1.00 0.00 C ATOM 493 O TYR A 35 -2.016 -2.795 4.035 1.00 0.00 O ATOM 494 CB TYR A 35 -2.087 -5.551 2.491 1.00 0.00 C ATOM 495 CG TYR A 35 -3.260 -5.447 3.438 1.00 0.00 C ATOM 496 CD1 TYR A 35 -4.091 -4.333 3.427 1.00 0.00 C ATOM 497 CD2 TYR A 35 -3.539 -6.463 4.344 1.00 0.00 C ATOM 498 CE1 TYR A 35 -5.164 -4.234 4.291 1.00 0.00 C ATOM 499 CE2 TYR A 35 -4.611 -6.373 5.211 1.00 0.00 C ATOM 500 CZ TYR A 35 -5.420 -5.256 5.181 1.00 0.00 C ATOM 501 OH TYR A 35 -6.489 -5.162 6.043 1.00 0.00 O ATOM 0 H TYR A 35 -0.538 -4.504 4.856 1.00 0.00 H new ATOM 0 HA TYR A 35 -0.253 -4.558 1.972 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -2.437 -5.381 1.473 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -1.691 -6.566 2.526 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -3.894 -3.531 2.731 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -2.907 -7.338 4.371 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -5.799 -3.361 4.270 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -4.814 -7.172 5.908 1.00 0.00 H new ATOM 0 HH TYR A 35 -6.530 -5.966 6.602 1.00 0.00 H new ATOM 511 N MET A 36 -1.462 -2.374 1.895 1.00 0.00 N ATOM 512 CA MET A 36 -1.972 -1.008 1.917 1.00 0.00 C ATOM 513 C MET A 36 -3.408 -0.972 2.432 1.00 0.00 C ATOM 514 O MET A 36 -4.307 -1.568 1.837 1.00 0.00 O ATOM 515 CB MET A 36 -1.904 -0.392 0.518 1.00 0.00 C ATOM 516 CG MET A 36 -0.513 -0.426 -0.093 1.00 0.00 C ATOM 517 SD MET A 36 0.668 0.596 0.809 1.00 0.00 S ATOM 518 CE MET A 36 2.142 0.364 -0.181 1.00 0.00 C ATOM 0 H MET A 36 -1.061 -2.660 1.002 1.00 0.00 H new ATOM 0 HA MET A 36 -1.347 -0.425 2.593 1.00 0.00 H new ATOM 0 HB2 MET A 36 -2.593 -0.923 -0.138 1.00 0.00 H new ATOM 0 HB3 MET A 36 -2.245 0.642 0.568 1.00 0.00 H new ATOM 0 HG2 MET A 36 -0.155 -1.455 -0.114 1.00 0.00 H new ATOM 0 HG3 MET A 36 -0.566 -0.086 -1.127 1.00 0.00 H new ATOM 0 HE1 MET A 36 2.980 0.112 0.468 1.00 0.00 H new ATOM 0 HE2 MET A 36 1.978 -0.445 -0.893 1.00 0.00 H new ATOM 0 HE3 MET A 36 2.366 1.284 -0.721 1.00 0.00 H new ATOM 528 N THR A 37 -3.618 -0.269 3.540 1.00 0.00 N ATOM 529 CA THR A 37 -4.943 -0.157 4.135 1.00 0.00 C ATOM 530 C THR A 37 -5.508 1.248 3.958 1.00 0.00 C ATOM 531 O THR A 37 -6.674 1.418 3.599 1.00 0.00 O ATOM 532 CB THR A 37 -4.917 -0.501 5.636 1.00 0.00 C ATOM 533 OG1 THR A 37 -6.241 -0.439 6.177 1.00 0.00 O ATOM 534 CG2 THR A 37 -4.008 0.455 6.395 1.00 0.00 C ATOM 0 H THR A 37 -2.886 0.232 4.044 1.00 0.00 H new ATOM 0 HA THR A 37 -5.583 -0.872 3.617 1.00 0.00 H new ATOM 0 HB THR A 37 -4.527 -1.513 5.747 1.00 0.00 H new ATOM 0 HG1 THR A 37 -6.237 0.107 6.991 1.00 0.00 H new ATOM 0 HG21 THR A 37 -4.006 0.192 7.453 1.00 0.00 H new ATOM 0 HG22 THR A 37 -2.994 0.383 6.001 1.00 0.00 H new ATOM 0 HG23 THR A 37 -4.372 1.475 6.275 1.00 0.00 H new ATOM 542 N ASP A 38 -4.676 2.252 4.210 1.00 0.00 N ATOM 543 CA ASP A 38 -5.093 3.643 4.076 1.00 0.00 C ATOM 544 C ASP A 38 -4.458 4.284 2.847 1.00 0.00 C ATOM 545 O ASP A 38 -3.253 4.536 2.818 1.00 0.00 O ATOM 546 CB ASP A 38 -4.716 4.433 5.331 1.00 0.00 C ATOM 547 CG ASP A 38 -5.427 5.770 5.408 1.00 0.00 C ATOM 548 OD1 ASP A 38 -5.342 6.545 4.432 1.00 0.00 O ATOM 549 OD2 ASP A 38 -6.070 6.041 6.444 1.00 0.00 O ATOM 0 H ASP A 38 -3.708 2.129 4.508 1.00 0.00 H new ATOM 0 HA ASP A 38 -6.176 3.663 3.955 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -4.960 3.844 6.215 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -3.638 4.596 5.344 1.00 0.00 H new ATOM 554 N ILE A 39 -5.276 4.545 1.833 1.00 0.00 N ATOM 555 CA ILE A 39 -4.794 5.157 0.601 1.00 0.00 C ATOM 556 C ILE A 39 -5.296 6.591 0.466 1.00 0.00 C ATOM 557 O ILE A 39 -6.370 6.836 -0.084 1.00 0.00 O ATOM 558 CB ILE A 39 -5.234 4.353 -0.637 1.00 0.00 C ATOM 559 CG1 ILE A 39 -4.648 2.941 -0.589 1.00 0.00 C ATOM 560 CG2 ILE A 39 -4.808 5.067 -1.911 1.00 0.00 C ATOM 561 CD1 ILE A 39 -3.138 2.910 -0.675 1.00 0.00 C ATOM 0 H ILE A 39 -6.276 4.342 1.840 1.00 0.00 H new ATOM 0 HA ILE A 39 -3.705 5.159 0.655 1.00 0.00 H new ATOM 0 HB ILE A 39 -6.321 4.275 -0.634 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -4.961 2.458 0.336 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -5.063 2.356 -1.410 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -5.126 4.487 -2.777 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -5.269 6.054 -1.946 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -3.723 5.173 -1.924 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -2.792 1.877 -0.635 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -2.818 3.364 -1.613 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -2.714 3.467 0.161 1.00 0.00 H new ATOM 573 N THR A 40 -4.511 7.537 0.971 1.00 0.00 N ATOM 574 CA THR A 40 -4.874 8.947 0.907 1.00 0.00 C ATOM 575 C THR A 40 -5.410 9.315 -0.472 1.00 0.00 C ATOM 576 O THR A 40 -4.891 8.883 -1.501 1.00 0.00 O ATOM 577 CB THR A 40 -3.673 9.853 1.237 1.00 0.00 C ATOM 578 OG1 THR A 40 -3.234 9.616 2.579 1.00 0.00 O ATOM 579 CG2 THR A 40 -4.038 11.320 1.068 1.00 0.00 C ATOM 0 H THR A 40 -3.619 7.352 1.429 1.00 0.00 H new ATOM 0 HA THR A 40 -5.654 9.106 1.651 1.00 0.00 H new ATOM 0 HB THR A 40 -2.866 9.615 0.544 1.00 0.00 H new ATOM 0 HG1 THR A 40 -2.469 10.195 2.780 1.00 0.00 H new ATOM 0 HG21 THR A 40 -3.174 11.940 1.307 1.00 0.00 H new ATOM 0 HG22 THR A 40 -4.342 11.503 0.037 1.00 0.00 H new ATOM 0 HG23 THR A 40 -4.860 11.570 1.739 1.00 0.00 H new ATOM 587 N PRO A 41 -6.473 10.132 -0.496 1.00 0.00 N ATOM 588 CA PRO A 41 -7.102 10.577 -1.743 1.00 0.00 C ATOM 589 C PRO A 41 -6.218 11.543 -2.525 1.00 0.00 C ATOM 590 O PRO A 41 -5.624 12.456 -1.953 1.00 0.00 O ATOM 591 CB PRO A 41 -8.374 11.282 -1.267 1.00 0.00 C ATOM 592 CG PRO A 41 -8.064 11.727 0.120 1.00 0.00 C ATOM 593 CD PRO A 41 -7.143 10.686 0.693 1.00 0.00 C ATOM 0 HA PRO A 41 -7.288 9.747 -2.424 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -8.621 12.128 -1.908 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -9.230 10.608 -1.284 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -7.590 12.709 0.118 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -8.973 11.813 0.715 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -6.428 11.122 1.391 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -7.693 9.919 1.238 1.00 0.00 H new ATOM 601 N GLN A 42 -6.136 11.334 -3.835 1.00 0.00 N ATOM 602 CA GLN A 42 -5.324 12.187 -4.695 1.00 0.00 C ATOM 603 C GLN A 42 -3.958 12.447 -4.070 1.00 0.00 C ATOM 604 O GLN A 42 -3.501 13.588 -4.002 1.00 0.00 O ATOM 605 CB GLN A 42 -6.040 13.514 -4.955 1.00 0.00 C ATOM 606 CG GLN A 42 -7.334 13.364 -5.738 1.00 0.00 C ATOM 607 CD GLN A 42 -7.113 12.811 -7.131 1.00 0.00 C ATOM 608 OE1 GLN A 42 -6.083 13.065 -7.756 1.00 0.00 O ATOM 609 NE2 GLN A 42 -8.081 12.049 -7.627 1.00 0.00 N ATOM 0 H GLN A 42 -6.622 10.582 -4.324 1.00 0.00 H new ATOM 0 HA GLN A 42 -5.177 11.670 -5.643 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -6.256 13.994 -4.000 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -5.370 14.178 -5.501 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -8.010 12.705 -5.193 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -7.825 14.335 -5.810 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -8.918 11.864 -7.074 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -7.987 11.649 -8.560 1.00 0.00 H new ATOM 618 N GLY A 43 -3.308 11.380 -3.613 1.00 0.00 N ATOM 619 CA GLY A 43 -2.001 11.514 -2.999 1.00 0.00 C ATOM 620 C GLY A 43 -0.924 10.765 -3.759 1.00 0.00 C ATOM 621 O GLY A 43 -1.175 10.224 -4.836 1.00 0.00 O ATOM 0 H GLY A 43 -3.664 10.425 -3.658 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -1.735 12.570 -2.944 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -2.044 11.142 -1.975 1.00 0.00 H new ATOM 625 N VAL A 44 0.282 10.735 -3.199 1.00 0.00 N ATOM 626 CA VAL A 44 1.401 10.048 -3.831 1.00 0.00 C ATOM 627 C VAL A 44 1.012 8.635 -4.252 1.00 0.00 C ATOM 628 O VAL A 44 1.429 8.153 -5.304 1.00 0.00 O ATOM 629 CB VAL A 44 2.618 9.974 -2.889 1.00 0.00 C ATOM 630 CG1 VAL A 44 3.760 9.216 -3.550 1.00 0.00 C ATOM 631 CG2 VAL A 44 3.061 11.371 -2.481 1.00 0.00 C ATOM 0 H VAL A 44 0.508 11.179 -2.309 1.00 0.00 H new ATOM 0 HA VAL A 44 1.669 10.627 -4.715 1.00 0.00 H new ATOM 0 HB VAL A 44 2.327 9.432 -1.989 1.00 0.00 H new ATOM 0 HG11 VAL A 44 4.611 9.174 -2.870 1.00 0.00 H new ATOM 0 HG12 VAL A 44 3.435 8.203 -3.788 1.00 0.00 H new ATOM 0 HG13 VAL A 44 4.053 9.727 -4.467 1.00 0.00 H new ATOM 0 HG21 VAL A 44 3.922 11.300 -1.816 1.00 0.00 H new ATOM 0 HG22 VAL A 44 3.335 11.940 -3.370 1.00 0.00 H new ATOM 0 HG23 VAL A 44 2.244 11.876 -1.965 1.00 0.00 H new ATOM 641 N ALA A 45 0.210 7.976 -3.422 1.00 0.00 N ATOM 642 CA ALA A 45 -0.239 6.619 -3.709 1.00 0.00 C ATOM 643 C ALA A 45 -1.322 6.615 -4.783 1.00 0.00 C ATOM 644 O ALA A 45 -1.098 6.154 -5.901 1.00 0.00 O ATOM 645 CB ALA A 45 -0.747 5.952 -2.440 1.00 0.00 C ATOM 0 H ALA A 45 -0.142 8.360 -2.545 1.00 0.00 H new ATOM 0 HA ALA A 45 0.612 6.053 -4.087 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -1.079 4.939 -2.669 1.00 0.00 H new ATOM 0 HB2 ALA A 45 0.055 5.913 -1.703 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -1.582 6.525 -2.037 1.00 0.00 H new ATOM 651 N MET A 46 -2.496 7.129 -4.434 1.00 0.00 N ATOM 652 CA MET A 46 -3.614 7.184 -5.368 1.00 0.00 C ATOM 653 C MET A 46 -3.146 7.632 -6.750 1.00 0.00 C ATOM 654 O MET A 46 -3.647 7.156 -7.769 1.00 0.00 O ATOM 655 CB MET A 46 -4.694 8.136 -4.850 1.00 0.00 C ATOM 656 CG MET A 46 -6.056 7.916 -5.489 1.00 0.00 C ATOM 657 SD MET A 46 -6.630 6.214 -5.331 1.00 0.00 S ATOM 658 CE MET A 46 -7.915 6.404 -4.097 1.00 0.00 C ATOM 0 H MET A 46 -2.698 7.514 -3.511 1.00 0.00 H new ATOM 0 HA MET A 46 -4.034 6.182 -5.452 1.00 0.00 H new ATOM 0 HB2 MET A 46 -4.785 8.016 -3.770 1.00 0.00 H new ATOM 0 HB3 MET A 46 -4.378 9.163 -5.031 1.00 0.00 H new ATOM 0 HG2 MET A 46 -6.782 8.585 -5.027 1.00 0.00 H new ATOM 0 HG3 MET A 46 -6.005 8.182 -6.545 1.00 0.00 H new ATOM 0 HE1 MET A 46 -8.368 5.434 -3.891 1.00 0.00 H new ATOM 0 HE2 MET A 46 -7.483 6.805 -3.180 1.00 0.00 H new ATOM 0 HE3 MET A 46 -8.678 7.089 -4.468 1.00 0.00 H new ATOM 668 N ARG A 47 -2.184 8.548 -6.776 1.00 0.00 N ATOM 669 CA ARG A 47 -1.651 9.060 -8.032 1.00 0.00 C ATOM 670 C ARG A 47 -0.867 7.979 -8.770 1.00 0.00 C ATOM 671 O ARG A 47 -0.956 7.859 -9.992 1.00 0.00 O ATOM 672 CB ARG A 47 -0.751 10.270 -7.773 1.00 0.00 C ATOM 673 CG ARG A 47 -1.515 11.521 -7.371 1.00 0.00 C ATOM 674 CD ARG A 47 -2.384 12.033 -8.509 1.00 0.00 C ATOM 675 NE ARG A 47 -2.691 13.454 -8.368 1.00 0.00 N ATOM 676 CZ ARG A 47 -1.815 14.422 -8.613 1.00 0.00 C ATOM 677 NH1 ARG A 47 -0.586 14.125 -9.011 1.00 0.00 N ATOM 678 NH2 ARG A 47 -2.169 15.692 -8.462 1.00 0.00 N ATOM 0 H ARG A 47 -1.758 8.951 -5.941 1.00 0.00 H new ATOM 0 HA ARG A 47 -2.490 9.367 -8.656 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -0.039 10.021 -6.986 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -0.172 10.481 -8.672 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -2.139 11.305 -6.504 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -0.811 12.298 -7.071 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -1.875 11.865 -9.458 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -3.313 11.463 -8.540 1.00 0.00 H new ATOM 0 HE ARG A 47 -3.629 13.717 -8.065 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -0.310 13.150 -9.130 1.00 0.00 H new ATOM 0 HH12 ARG A 47 0.084 14.871 -9.198 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -3.114 15.925 -8.158 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -1.496 16.435 -8.650 1.00 0.00 H new ATOM 692 N ALA A 48 -0.099 7.195 -8.020 1.00 0.00 N ATOM 693 CA ALA A 48 0.699 6.124 -8.603 1.00 0.00 C ATOM 694 C ALA A 48 -0.190 5.015 -9.155 1.00 0.00 C ATOM 695 O ALA A 48 0.213 4.268 -10.046 1.00 0.00 O ATOM 696 CB ALA A 48 1.666 5.564 -7.570 1.00 0.00 C ATOM 0 H ALA A 48 -0.013 7.282 -7.007 1.00 0.00 H new ATOM 0 HA ALA A 48 1.271 6.541 -9.432 1.00 0.00 H new ATOM 0 HB1 ALA A 48 2.256 4.765 -8.019 1.00 0.00 H new ATOM 0 HB2 ALA A 48 2.331 6.357 -7.227 1.00 0.00 H new ATOM 0 HB3 ALA A 48 1.105 5.169 -6.723 1.00 0.00 H new ATOM 702 N GLY A 49 -1.402 4.912 -8.618 1.00 0.00 N ATOM 703 CA GLY A 49 -2.329 3.890 -9.069 1.00 0.00 C ATOM 704 C GLY A 49 -2.410 2.718 -8.112 1.00 0.00 C ATOM 705 O GLY A 49 -2.528 1.568 -8.536 1.00 0.00 O ATOM 0 H GLY A 49 -1.758 5.518 -7.879 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -3.320 4.329 -9.186 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -2.021 3.532 -10.051 1.00 0.00 H new ATOM 709 N VAL A 50 -2.344 3.007 -6.816 1.00 0.00 N ATOM 710 CA VAL A 50 -2.409 1.968 -5.796 1.00 0.00 C ATOM 711 C VAL A 50 -3.742 2.007 -5.057 1.00 0.00 C ATOM 712 O VAL A 50 -4.111 3.025 -4.471 1.00 0.00 O ATOM 713 CB VAL A 50 -1.264 2.110 -4.775 1.00 0.00 C ATOM 714 CG1 VAL A 50 -1.296 3.486 -4.126 1.00 0.00 C ATOM 715 CG2 VAL A 50 -1.349 1.014 -3.724 1.00 0.00 C ATOM 0 H VAL A 50 -2.245 3.953 -6.448 1.00 0.00 H new ATOM 0 HA VAL A 50 -2.309 1.012 -6.311 1.00 0.00 H new ATOM 0 HB VAL A 50 -0.315 2.004 -5.301 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -0.480 3.569 -3.408 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -1.183 4.253 -4.893 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -2.247 3.624 -3.612 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -0.533 1.130 -3.011 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -2.302 1.086 -3.200 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -1.273 0.040 -4.207 1.00 0.00 H new ATOM 725 N LEU A 51 -4.462 0.890 -5.088 1.00 0.00 N ATOM 726 CA LEU A 51 -5.755 0.795 -4.420 1.00 0.00 C ATOM 727 C LEU A 51 -5.583 0.430 -2.949 1.00 0.00 C ATOM 728 O LEU A 51 -4.495 0.051 -2.517 1.00 0.00 O ATOM 729 CB LEU A 51 -6.635 -0.245 -5.116 1.00 0.00 C ATOM 730 CG LEU A 51 -7.307 0.205 -6.414 1.00 0.00 C ATOM 731 CD1 LEU A 51 -7.718 -0.999 -7.247 1.00 0.00 C ATOM 732 CD2 LEU A 51 -8.511 1.085 -6.115 1.00 0.00 C ATOM 0 H LEU A 51 -4.172 0.038 -5.568 1.00 0.00 H new ATOM 0 HA LEU A 51 -6.239 1.770 -4.479 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -6.025 -1.122 -5.331 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -7.411 -0.560 -4.419 1.00 0.00 H new ATOM 0 HG LEU A 51 -6.589 0.790 -6.988 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -8.194 -0.660 -8.167 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -6.836 -1.590 -7.492 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -8.419 -1.612 -6.680 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -8.976 1.395 -7.051 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -9.232 0.525 -5.520 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -8.189 1.966 -5.560 1.00 0.00 H new ATOM 744 N ALA A 52 -6.665 0.546 -2.185 1.00 0.00 N ATOM 745 CA ALA A 52 -6.634 0.224 -0.764 1.00 0.00 C ATOM 746 C ALA A 52 -6.840 -1.270 -0.535 1.00 0.00 C ATOM 747 O ALA A 52 -7.359 -1.975 -1.400 1.00 0.00 O ATOM 748 CB ALA A 52 -7.692 1.024 -0.019 1.00 0.00 C ATOM 0 H ALA A 52 -7.573 0.860 -2.527 1.00 0.00 H new ATOM 0 HA ALA A 52 -5.651 0.492 -0.377 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -7.658 0.774 1.041 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -7.500 2.089 -0.147 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -8.678 0.783 -0.417 1.00 0.00 H new ATOM 754 N ASP A 53 -6.428 -1.746 0.635 1.00 0.00 N ATOM 755 CA ASP A 53 -6.567 -3.157 0.978 1.00 0.00 C ATOM 756 C ASP A 53 -5.864 -4.038 -0.050 1.00 0.00 C ATOM 757 O ASP A 53 -6.252 -5.186 -0.268 1.00 0.00 O ATOM 758 CB ASP A 53 -8.045 -3.538 1.069 1.00 0.00 C ATOM 759 CG ASP A 53 -8.820 -2.632 2.005 1.00 0.00 C ATOM 760 OD1 ASP A 53 -9.338 -1.598 1.535 1.00 0.00 O ATOM 761 OD2 ASP A 53 -8.908 -2.957 3.208 1.00 0.00 O ATOM 0 H ASP A 53 -5.995 -1.176 1.362 1.00 0.00 H new ATOM 0 HA ASP A 53 -6.098 -3.318 1.949 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -8.490 -3.495 0.075 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -8.131 -4.569 1.412 1.00 0.00 H new ATOM 766 N ASP A 54 -4.829 -3.493 -0.680 1.00 0.00 N ATOM 767 CA ASP A 54 -4.071 -4.229 -1.685 1.00 0.00 C ATOM 768 C ASP A 54 -2.995 -5.090 -1.032 1.00 0.00 C ATOM 769 O ASP A 54 -1.999 -4.576 -0.522 1.00 0.00 O ATOM 770 CB ASP A 54 -3.433 -3.262 -2.683 1.00 0.00 C ATOM 771 CG ASP A 54 -4.433 -2.719 -3.685 1.00 0.00 C ATOM 772 OD1 ASP A 54 -5.513 -3.327 -3.833 1.00 0.00 O ATOM 773 OD2 ASP A 54 -4.135 -1.686 -4.321 1.00 0.00 O ATOM 0 H ASP A 54 -4.496 -2.544 -0.512 1.00 0.00 H new ATOM 0 HA ASP A 54 -4.761 -4.884 -2.217 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -2.979 -2.432 -2.141 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -2.630 -3.772 -3.215 1.00 0.00 H new ATOM 778 N HIS A 55 -3.202 -6.403 -1.050 1.00 0.00 N ATOM 779 CA HIS A 55 -2.249 -7.335 -0.458 1.00 0.00 C ATOM 780 C HIS A 55 -0.853 -7.124 -1.036 1.00 0.00 C ATOM 781 O HIS A 55 -0.561 -7.550 -2.154 1.00 0.00 O ATOM 782 CB HIS A 55 -2.700 -8.777 -0.697 1.00 0.00 C ATOM 783 CG HIS A 55 -1.983 -9.777 0.158 1.00 0.00 C ATOM 784 ND1 HIS A 55 -2.403 -11.083 0.300 1.00 0.00 N ATOM 785 CD2 HIS A 55 -0.869 -9.657 0.916 1.00 0.00 C ATOM 786 CE1 HIS A 55 -1.578 -11.722 1.110 1.00 0.00 C ATOM 787 NE2 HIS A 55 -0.638 -10.879 1.497 1.00 0.00 N ATOM 0 H HIS A 55 -4.021 -6.845 -1.468 1.00 0.00 H new ATOM 0 HA HIS A 55 -2.211 -7.146 0.615 1.00 0.00 H new ATOM 0 HB2 HIS A 55 -3.771 -8.850 -0.508 1.00 0.00 H new ATOM 0 HB3 HIS A 55 -2.544 -9.029 -1.746 1.00 0.00 H new ATOM 0 HD2 HIS A 55 -0.272 -8.765 1.041 1.00 0.00 H new ATOM 0 HE1 HIS A 55 -1.659 -12.758 1.405 1.00 0.00 H new ATOM 0 HE2 HIS A 55 0.134 -11.100 2.126 1.00 0.00 H new ATOM 796 N LEU A 56 0.006 -6.464 -0.267 1.00 0.00 N ATOM 797 CA LEU A 56 1.372 -6.195 -0.702 1.00 0.00 C ATOM 798 C LEU A 56 2.072 -7.482 -1.127 1.00 0.00 C ATOM 799 O LEU A 56 1.898 -8.529 -0.503 1.00 0.00 O ATOM 800 CB LEU A 56 2.162 -5.518 0.420 1.00 0.00 C ATOM 801 CG LEU A 56 3.239 -4.527 -0.021 1.00 0.00 C ATOM 802 CD1 LEU A 56 2.664 -3.123 -0.121 1.00 0.00 C ATOM 803 CD2 LEU A 56 4.416 -4.555 0.943 1.00 0.00 C ATOM 0 H LEU A 56 -0.219 -6.105 0.661 1.00 0.00 H new ATOM 0 HA LEU A 56 1.328 -5.526 -1.562 1.00 0.00 H new ATOM 0 HB2 LEU A 56 1.459 -4.995 1.068 1.00 0.00 H new ATOM 0 HB3 LEU A 56 2.635 -6.293 1.023 1.00 0.00 H new ATOM 0 HG LEU A 56 3.595 -4.823 -1.008 1.00 0.00 H new ATOM 0 HD11 LEU A 56 3.445 -2.431 -0.436 1.00 0.00 H new ATOM 0 HD12 LEU A 56 1.854 -3.113 -0.851 1.00 0.00 H new ATOM 0 HD13 LEU A 56 2.280 -2.817 0.852 1.00 0.00 H new ATOM 0 HD21 LEU A 56 5.173 -3.843 0.614 1.00 0.00 H new ATOM 0 HD22 LEU A 56 4.074 -4.285 1.942 1.00 0.00 H new ATOM 0 HD23 LEU A 56 4.845 -5.557 0.965 1.00 0.00 H new ATOM 815 N ILE A 57 2.864 -7.396 -2.190 1.00 0.00 N ATOM 816 CA ILE A 57 3.592 -8.553 -2.696 1.00 0.00 C ATOM 817 C ILE A 57 5.094 -8.391 -2.488 1.00 0.00 C ATOM 818 O ILE A 57 5.761 -9.295 -1.988 1.00 0.00 O ATOM 819 CB ILE A 57 3.313 -8.783 -4.193 1.00 0.00 C ATOM 820 CG1 ILE A 57 1.810 -8.922 -4.439 1.00 0.00 C ATOM 821 CG2 ILE A 57 4.053 -10.017 -4.685 1.00 0.00 C ATOM 822 CD1 ILE A 57 1.223 -10.201 -3.884 1.00 0.00 C ATOM 0 H ILE A 57 3.018 -6.537 -2.718 1.00 0.00 H new ATOM 0 HA ILE A 57 3.241 -9.418 -2.133 1.00 0.00 H new ATOM 0 HB ILE A 57 3.674 -7.920 -4.752 1.00 0.00 H new ATOM 0 HG12 ILE A 57 1.296 -8.071 -3.991 1.00 0.00 H new ATOM 0 HG13 ILE A 57 1.620 -8.880 -5.511 1.00 0.00 H new ATOM 0 HG21 ILE A 57 3.846 -10.167 -5.745 1.00 0.00 H new ATOM 0 HG22 ILE A 57 5.125 -9.880 -4.540 1.00 0.00 H new ATOM 0 HG23 ILE A 57 3.719 -10.889 -4.123 1.00 0.00 H new ATOM 0 HD11 ILE A 57 0.154 -10.232 -4.095 1.00 0.00 H new ATOM 0 HD12 ILE A 57 1.710 -11.057 -4.350 1.00 0.00 H new ATOM 0 HD13 ILE A 57 1.381 -10.236 -2.806 1.00 0.00 H new ATOM 834 N GLU A 58 5.617 -7.232 -2.875 1.00 0.00 N ATOM 835 CA GLU A 58 7.041 -6.951 -2.730 1.00 0.00 C ATOM 836 C GLU A 58 7.289 -5.452 -2.596 1.00 0.00 C ATOM 837 O GLU A 58 6.371 -4.644 -2.738 1.00 0.00 O ATOM 838 CB GLU A 58 7.817 -7.503 -3.928 1.00 0.00 C ATOM 839 CG GLU A 58 7.321 -6.981 -5.266 1.00 0.00 C ATOM 840 CD GLU A 58 8.175 -7.450 -6.428 1.00 0.00 C ATOM 841 OE1 GLU A 58 8.437 -8.667 -6.520 1.00 0.00 O ATOM 842 OE2 GLU A 58 8.582 -6.598 -7.246 1.00 0.00 O ATOM 0 H GLU A 58 5.077 -6.473 -3.291 1.00 0.00 H new ATOM 0 HA GLU A 58 7.391 -7.442 -1.822 1.00 0.00 H new ATOM 0 HB2 GLU A 58 8.871 -7.249 -3.816 1.00 0.00 H new ATOM 0 HB3 GLU A 58 7.750 -8.591 -3.924 1.00 0.00 H new ATOM 0 HG2 GLU A 58 6.293 -7.308 -5.421 1.00 0.00 H new ATOM 0 HG3 GLU A 58 7.309 -5.891 -5.245 1.00 0.00 H new ATOM 849 N VAL A 59 8.538 -5.087 -2.320 1.00 0.00 N ATOM 850 CA VAL A 59 8.908 -3.685 -2.167 1.00 0.00 C ATOM 851 C VAL A 59 10.285 -3.413 -2.761 1.00 0.00 C ATOM 852 O VAL A 59 11.302 -3.851 -2.225 1.00 0.00 O ATOM 853 CB VAL A 59 8.908 -3.263 -0.685 1.00 0.00 C ATOM 854 CG1 VAL A 59 9.319 -1.806 -0.545 1.00 0.00 C ATOM 855 CG2 VAL A 59 7.541 -3.503 -0.063 1.00 0.00 C ATOM 0 H VAL A 59 9.310 -5.743 -2.198 1.00 0.00 H new ATOM 0 HA VAL A 59 8.161 -3.100 -2.704 1.00 0.00 H new ATOM 0 HB VAL A 59 9.636 -3.873 -0.151 1.00 0.00 H new ATOM 0 HG11 VAL A 59 9.313 -1.526 0.508 1.00 0.00 H new ATOM 0 HG12 VAL A 59 10.321 -1.670 -0.951 1.00 0.00 H new ATOM 0 HG13 VAL A 59 8.617 -1.176 -1.092 1.00 0.00 H new ATOM 0 HG21 VAL A 59 7.559 -3.199 0.984 1.00 0.00 H new ATOM 0 HG22 VAL A 59 6.791 -2.920 -0.597 1.00 0.00 H new ATOM 0 HG23 VAL A 59 7.292 -4.562 -0.129 1.00 0.00 H new ATOM 865 N ASN A 60 10.310 -2.685 -3.873 1.00 0.00 N ATOM 866 CA ASN A 60 11.563 -2.353 -4.542 1.00 0.00 C ATOM 867 C ASN A 60 12.171 -3.587 -5.200 1.00 0.00 C ATOM 868 O ASN A 60 13.388 -3.684 -5.357 1.00 0.00 O ATOM 869 CB ASN A 60 12.555 -1.753 -3.543 1.00 0.00 C ATOM 870 CG ASN A 60 11.886 -0.814 -2.557 1.00 0.00 C ATOM 871 OD1 ASN A 60 11.038 -0.004 -2.932 1.00 0.00 O ATOM 872 ND2 ASN A 60 12.266 -0.920 -1.289 1.00 0.00 N ATOM 0 H ASN A 60 9.477 -2.314 -4.330 1.00 0.00 H new ATOM 0 HA ASN A 60 11.349 -1.618 -5.317 1.00 0.00 H new ATOM 0 HB2 ASN A 60 13.048 -2.557 -2.997 1.00 0.00 H new ATOM 0 HB3 ASN A 60 13.331 -1.213 -4.085 1.00 0.00 H new ATOM 0 HD21 ASN A 60 11.851 -0.315 -0.580 1.00 0.00 H new ATOM 0 HD22 ASN A 60 12.973 -1.606 -1.024 1.00 0.00 H new ATOM 879 N GLY A 61 11.315 -4.529 -5.585 1.00 0.00 N ATOM 880 CA GLY A 61 11.786 -5.744 -6.223 1.00 0.00 C ATOM 881 C GLY A 61 12.189 -6.807 -5.220 1.00 0.00 C ATOM 882 O GLY A 61 13.096 -7.598 -5.475 1.00 0.00 O ATOM 0 H GLY A 61 10.304 -4.472 -5.466 1.00 0.00 H new ATOM 0 HA2 GLY A 61 11.002 -6.138 -6.870 1.00 0.00 H new ATOM 0 HA3 GLY A 61 12.638 -5.509 -6.861 1.00 0.00 H new ATOM 886 N GLU A 62 11.514 -6.824 -4.075 1.00 0.00 N ATOM 887 CA GLU A 62 11.809 -7.796 -3.029 1.00 0.00 C ATOM 888 C GLU A 62 10.523 -8.347 -2.420 1.00 0.00 C ATOM 889 O GLU A 62 9.732 -7.606 -1.839 1.00 0.00 O ATOM 890 CB GLU A 62 12.671 -7.159 -1.937 1.00 0.00 C ATOM 891 CG GLU A 62 14.057 -6.756 -2.413 1.00 0.00 C ATOM 892 CD GLU A 62 14.879 -6.097 -1.323 1.00 0.00 C ATOM 893 OE1 GLU A 62 14.747 -6.508 -0.151 1.00 0.00 O ATOM 894 OE2 GLU A 62 15.655 -5.172 -1.642 1.00 0.00 O ATOM 0 H GLU A 62 10.760 -6.176 -3.848 1.00 0.00 H new ATOM 0 HA GLU A 62 12.360 -8.621 -3.481 1.00 0.00 H new ATOM 0 HB2 GLU A 62 12.159 -6.278 -1.549 1.00 0.00 H new ATOM 0 HB3 GLU A 62 12.770 -7.861 -1.109 1.00 0.00 H new ATOM 0 HG2 GLU A 62 14.583 -7.639 -2.776 1.00 0.00 H new ATOM 0 HG3 GLU A 62 13.963 -6.072 -3.256 1.00 0.00 H new ATOM 901 N ASN A 63 10.323 -9.654 -2.558 1.00 0.00 N ATOM 902 CA ASN A 63 9.133 -10.305 -2.022 1.00 0.00 C ATOM 903 C ASN A 63 9.041 -10.114 -0.511 1.00 0.00 C ATOM 904 O ASN A 63 9.901 -10.578 0.237 1.00 0.00 O ATOM 905 CB ASN A 63 9.147 -11.798 -2.359 1.00 0.00 C ATOM 906 CG ASN A 63 7.945 -12.530 -1.795 1.00 0.00 C ATOM 907 OD1 ASN A 63 8.018 -13.135 -0.726 1.00 0.00 O ATOM 908 ND2 ASN A 63 6.830 -12.477 -2.514 1.00 0.00 N ATOM 0 H ASN A 63 10.969 -10.282 -3.036 1.00 0.00 H new ATOM 0 HA ASN A 63 8.259 -9.844 -2.482 1.00 0.00 H new ATOM 0 HB2 ASN A 63 9.170 -11.923 -3.442 1.00 0.00 H new ATOM 0 HB3 ASN A 63 10.059 -12.247 -1.967 1.00 0.00 H new ATOM 0 HD21 ASN A 63 5.988 -12.950 -2.185 1.00 0.00 H new ATOM 0 HD22 ASN A 63 6.815 -11.963 -3.395 1.00 0.00 H new ATOM 915 N VAL A 64 7.992 -9.428 -0.070 1.00 0.00 N ATOM 916 CA VAL A 64 7.786 -9.177 1.352 1.00 0.00 C ATOM 917 C VAL A 64 6.441 -9.722 1.817 1.00 0.00 C ATOM 918 O VAL A 64 5.904 -9.290 2.836 1.00 0.00 O ATOM 919 CB VAL A 64 7.855 -7.672 1.671 1.00 0.00 C ATOM 920 CG1 VAL A 64 9.225 -7.113 1.318 1.00 0.00 C ATOM 921 CG2 VAL A 64 6.757 -6.920 0.934 1.00 0.00 C ATOM 0 H VAL A 64 7.272 -9.036 -0.676 1.00 0.00 H new ATOM 0 HA VAL A 64 8.587 -9.691 1.884 1.00 0.00 H new ATOM 0 HB VAL A 64 7.700 -7.538 2.742 1.00 0.00 H new ATOM 0 HG11 VAL A 64 9.255 -6.048 1.550 1.00 0.00 H new ATOM 0 HG12 VAL A 64 9.990 -7.632 1.896 1.00 0.00 H new ATOM 0 HG13 VAL A 64 9.414 -7.258 0.254 1.00 0.00 H new ATOM 0 HG21 VAL A 64 6.821 -5.858 1.171 1.00 0.00 H new ATOM 0 HG22 VAL A 64 6.878 -7.060 -0.140 1.00 0.00 H new ATOM 0 HG23 VAL A 64 5.784 -7.303 1.242 1.00 0.00 H new ATOM 931 N GLU A 65 5.902 -10.676 1.063 1.00 0.00 N ATOM 932 CA GLU A 65 4.618 -11.281 1.400 1.00 0.00 C ATOM 933 C GLU A 65 4.628 -11.820 2.827 1.00 0.00 C ATOM 934 O GLU A 65 3.806 -11.429 3.655 1.00 0.00 O ATOM 935 CB GLU A 65 4.289 -12.408 0.419 1.00 0.00 C ATOM 936 CG GLU A 65 3.662 -11.923 -0.877 1.00 0.00 C ATOM 937 CD GLU A 65 2.164 -11.718 -0.760 1.00 0.00 C ATOM 938 OE1 GLU A 65 1.738 -10.964 0.140 1.00 0.00 O ATOM 939 OE2 GLU A 65 1.418 -12.311 -1.567 1.00 0.00 O ATOM 0 H GLU A 65 6.334 -11.046 0.216 1.00 0.00 H new ATOM 0 HA GLU A 65 3.851 -10.510 1.328 1.00 0.00 H new ATOM 0 HB2 GLU A 65 5.203 -12.956 0.188 1.00 0.00 H new ATOM 0 HB3 GLU A 65 3.609 -13.111 0.901 1.00 0.00 H new ATOM 0 HG2 GLU A 65 4.131 -10.985 -1.174 1.00 0.00 H new ATOM 0 HG3 GLU A 65 3.865 -12.646 -1.667 1.00 0.00 H new ATOM 946 N ASP A 66 5.564 -12.720 3.106 1.00 0.00 N ATOM 947 CA ASP A 66 5.682 -13.314 4.433 1.00 0.00 C ATOM 948 C ASP A 66 6.540 -12.441 5.344 1.00 0.00 C ATOM 949 O ASP A 66 6.566 -12.633 6.560 1.00 0.00 O ATOM 950 CB ASP A 66 6.283 -14.717 4.336 1.00 0.00 C ATOM 951 CG ASP A 66 7.799 -14.700 4.354 1.00 0.00 C ATOM 952 OD1 ASP A 66 8.400 -14.340 3.321 1.00 0.00 O ATOM 953 OD2 ASP A 66 8.384 -15.048 5.402 1.00 0.00 O ATOM 0 H ASP A 66 6.252 -13.054 2.431 1.00 0.00 H new ATOM 0 HA ASP A 66 4.683 -13.385 4.863 1.00 0.00 H new ATOM 0 HB2 ASP A 66 5.919 -15.323 5.166 1.00 0.00 H new ATOM 0 HB3 ASP A 66 5.939 -15.194 3.418 1.00 0.00 H new ATOM 958 N ALA A 67 7.243 -11.484 4.748 1.00 0.00 N ATOM 959 CA ALA A 67 8.102 -10.582 5.505 1.00 0.00 C ATOM 960 C ALA A 67 7.330 -9.910 6.636 1.00 0.00 C ATOM 961 O ALA A 67 6.101 -9.852 6.612 1.00 0.00 O ATOM 962 CB ALA A 67 8.711 -9.535 4.584 1.00 0.00 C ATOM 0 H ALA A 67 7.235 -11.313 3.742 1.00 0.00 H new ATOM 0 HA ALA A 67 8.905 -11.171 5.948 1.00 0.00 H new ATOM 0 HB1 ALA A 67 9.350 -8.868 5.163 1.00 0.00 H new ATOM 0 HB2 ALA A 67 9.304 -10.028 3.814 1.00 0.00 H new ATOM 0 HB3 ALA A 67 7.915 -8.957 4.114 1.00 0.00 H new ATOM 968 N SER A 68 8.060 -9.403 7.625 1.00 0.00 N ATOM 969 CA SER A 68 7.443 -8.739 8.767 1.00 0.00 C ATOM 970 C SER A 68 7.405 -7.228 8.561 1.00 0.00 C ATOM 971 O SER A 68 8.314 -6.648 7.966 1.00 0.00 O ATOM 972 CB SER A 68 8.206 -9.071 10.050 1.00 0.00 C ATOM 973 OG SER A 68 8.032 -10.430 10.411 1.00 0.00 O ATOM 0 H SER A 68 9.079 -9.440 7.658 1.00 0.00 H new ATOM 0 HA SER A 68 6.419 -9.102 8.858 1.00 0.00 H new ATOM 0 HB2 SER A 68 9.267 -8.862 9.910 1.00 0.00 H new ATOM 0 HB3 SER A 68 7.858 -8.429 10.860 1.00 0.00 H new ATOM 0 HG SER A 68 8.531 -10.617 11.233 1.00 0.00 H new ATOM 979 N HIS A 69 6.346 -6.595 9.057 1.00 0.00 N ATOM 980 CA HIS A 69 6.188 -5.151 8.928 1.00 0.00 C ATOM 981 C HIS A 69 7.525 -4.440 9.114 1.00 0.00 C ATOM 982 O HIS A 69 7.904 -3.592 8.307 1.00 0.00 O ATOM 983 CB HIS A 69 5.177 -4.634 9.951 1.00 0.00 C ATOM 984 CG HIS A 69 4.772 -3.210 9.727 1.00 0.00 C ATOM 985 ND1 HIS A 69 5.680 -2.193 9.518 1.00 0.00 N ATOM 986 CD2 HIS A 69 3.547 -2.635 9.676 1.00 0.00 C ATOM 987 CE1 HIS A 69 5.032 -1.054 9.352 1.00 0.00 C ATOM 988 NE2 HIS A 69 3.736 -1.295 9.442 1.00 0.00 N ATOM 0 H HIS A 69 5.585 -7.060 9.552 1.00 0.00 H new ATOM 0 HA HIS A 69 5.819 -4.939 7.924 1.00 0.00 H new ATOM 0 HB2 HIS A 69 4.288 -5.265 9.922 1.00 0.00 H new ATOM 0 HB3 HIS A 69 5.603 -4.729 10.950 1.00 0.00 H new ATOM 0 HD2 HIS A 69 2.598 -3.137 9.797 1.00 0.00 H new ATOM 0 HE1 HIS A 69 5.485 -0.090 9.173 1.00 0.00 H new ATOM 0 HE2 HIS A 69 2.996 -0.599 9.352 1.00 0.00 H new ATOM 997 N GLU A 70 8.235 -4.792 10.182 1.00 0.00 N ATOM 998 CA GLU A 70 9.528 -4.185 10.473 1.00 0.00 C ATOM 999 C GLU A 70 10.478 -4.334 9.287 1.00 0.00 C ATOM 1000 O GLU A 70 11.202 -3.402 8.939 1.00 0.00 O ATOM 1001 CB GLU A 70 10.147 -4.823 11.719 1.00 0.00 C ATOM 1002 CG GLU A 70 10.240 -6.338 11.645 1.00 0.00 C ATOM 1003 CD GLU A 70 11.126 -6.921 12.728 1.00 0.00 C ATOM 1004 OE1 GLU A 70 12.363 -6.910 12.553 1.00 0.00 O ATOM 1005 OE2 GLU A 70 10.583 -7.388 13.751 1.00 0.00 O ATOM 0 H GLU A 70 7.936 -5.494 10.859 1.00 0.00 H new ATOM 0 HA GLU A 70 9.369 -3.123 10.658 1.00 0.00 H new ATOM 0 HB2 GLU A 70 11.146 -4.413 11.869 1.00 0.00 H new ATOM 0 HB3 GLU A 70 9.555 -4.546 12.591 1.00 0.00 H new ATOM 0 HG2 GLU A 70 9.240 -6.764 11.730 1.00 0.00 H new ATOM 0 HG3 GLU A 70 10.628 -6.627 10.668 1.00 0.00 H new ATOM 1012 N GLU A 71 10.468 -5.513 8.673 1.00 0.00 N ATOM 1013 CA GLU A 71 11.329 -5.784 7.528 1.00 0.00 C ATOM 1014 C GLU A 71 10.961 -4.891 6.347 1.00 0.00 C ATOM 1015 O GLU A 71 11.832 -4.422 5.613 1.00 0.00 O ATOM 1016 CB GLU A 71 11.225 -7.255 7.120 1.00 0.00 C ATOM 1017 CG GLU A 71 11.899 -8.206 8.096 1.00 0.00 C ATOM 1018 CD GLU A 71 13.412 -8.156 8.009 1.00 0.00 C ATOM 1019 OE1 GLU A 71 13.931 -7.756 6.946 1.00 0.00 O ATOM 1020 OE2 GLU A 71 14.076 -8.516 9.003 1.00 0.00 O ATOM 0 H GLU A 71 9.874 -6.295 8.949 1.00 0.00 H new ATOM 0 HA GLU A 71 12.357 -5.567 7.820 1.00 0.00 H new ATOM 0 HB2 GLU A 71 10.173 -7.525 7.030 1.00 0.00 H new ATOM 0 HB3 GLU A 71 11.672 -7.382 6.134 1.00 0.00 H new ATOM 0 HG2 GLU A 71 11.589 -7.959 9.111 1.00 0.00 H new ATOM 0 HG3 GLU A 71 11.561 -9.223 7.898 1.00 0.00 H new ATOM 1027 N VAL A 72 9.664 -4.660 6.168 1.00 0.00 N ATOM 1028 CA VAL A 72 9.179 -3.823 5.077 1.00 0.00 C ATOM 1029 C VAL A 72 9.411 -2.346 5.373 1.00 0.00 C ATOM 1030 O VAL A 72 10.187 -1.679 4.688 1.00 0.00 O ATOM 1031 CB VAL A 72 7.679 -4.054 4.817 1.00 0.00 C ATOM 1032 CG1 VAL A 72 7.167 -3.091 3.756 1.00 0.00 C ATOM 1033 CG2 VAL A 72 7.425 -5.496 4.406 1.00 0.00 C ATOM 0 H VAL A 72 8.930 -5.041 6.765 1.00 0.00 H new ATOM 0 HA VAL A 72 9.742 -4.105 4.187 1.00 0.00 H new ATOM 0 HB VAL A 72 7.134 -3.863 5.742 1.00 0.00 H new ATOM 0 HG11 VAL A 72 6.105 -3.269 3.585 1.00 0.00 H new ATOM 0 HG12 VAL A 72 7.313 -2.065 4.095 1.00 0.00 H new ATOM 0 HG13 VAL A 72 7.715 -3.248 2.827 1.00 0.00 H new ATOM 0 HG21 VAL A 72 6.360 -5.641 4.226 1.00 0.00 H new ATOM 0 HG22 VAL A 72 7.980 -5.718 3.495 1.00 0.00 H new ATOM 0 HG23 VAL A 72 7.753 -6.164 5.202 1.00 0.00 H new ATOM 1043 N VAL A 73 8.734 -1.840 6.399 1.00 0.00 N ATOM 1044 CA VAL A 73 8.867 -0.441 6.787 1.00 0.00 C ATOM 1045 C VAL A 73 10.314 0.024 6.679 1.00 0.00 C ATOM 1046 O VAL A 73 10.581 1.192 6.395 1.00 0.00 O ATOM 1047 CB VAL A 73 8.371 -0.209 8.227 1.00 0.00 C ATOM 1048 CG1 VAL A 73 9.221 -0.990 9.217 1.00 0.00 C ATOM 1049 CG2 VAL A 73 8.379 1.276 8.560 1.00 0.00 C ATOM 0 H VAL A 73 8.088 -2.378 6.976 1.00 0.00 H new ATOM 0 HA VAL A 73 8.250 0.138 6.100 1.00 0.00 H new ATOM 0 HB VAL A 73 7.345 -0.570 8.302 1.00 0.00 H new ATOM 0 HG11 VAL A 73 8.856 -0.814 10.229 1.00 0.00 H new ATOM 0 HG12 VAL A 73 9.159 -2.054 8.989 1.00 0.00 H new ATOM 0 HG13 VAL A 73 10.258 -0.663 9.144 1.00 0.00 H new ATOM 0 HG21 VAL A 73 8.026 1.422 9.581 1.00 0.00 H new ATOM 0 HG22 VAL A 73 9.393 1.664 8.468 1.00 0.00 H new ATOM 0 HG23 VAL A 73 7.723 1.807 7.870 1.00 0.00 H new ATOM 1059 N GLU A 74 11.245 -0.897 6.905 1.00 0.00 N ATOM 1060 CA GLU A 74 12.667 -0.581 6.833 1.00 0.00 C ATOM 1061 C GLU A 74 13.157 -0.607 5.388 1.00 0.00 C ATOM 1062 O GLU A 74 13.898 0.275 4.955 1.00 0.00 O ATOM 1063 CB GLU A 74 13.476 -1.568 7.676 1.00 0.00 C ATOM 1064 CG GLU A 74 13.634 -1.144 9.126 1.00 0.00 C ATOM 1065 CD GLU A 74 14.401 -2.159 9.951 1.00 0.00 C ATOM 1066 OE1 GLU A 74 13.901 -3.292 10.114 1.00 0.00 O ATOM 1067 OE2 GLU A 74 15.502 -1.821 10.433 1.00 0.00 O ATOM 0 H GLU A 74 11.040 -1.868 7.140 1.00 0.00 H new ATOM 0 HA GLU A 74 12.810 0.424 7.229 1.00 0.00 H new ATOM 0 HB2 GLU A 74 12.991 -2.544 7.642 1.00 0.00 H new ATOM 0 HB3 GLU A 74 14.464 -1.687 7.232 1.00 0.00 H new ATOM 0 HG2 GLU A 74 14.150 -0.185 9.166 1.00 0.00 H new ATOM 0 HG3 GLU A 74 12.648 -0.994 9.566 1.00 0.00 H new ATOM 1074 N LYS A 75 12.738 -1.627 4.646 1.00 0.00 N ATOM 1075 CA LYS A 75 13.133 -1.771 3.250 1.00 0.00 C ATOM 1076 C LYS A 75 12.708 -0.553 2.436 1.00 0.00 C ATOM 1077 O LYS A 75 13.304 -0.244 1.404 1.00 0.00 O ATOM 1078 CB LYS A 75 12.516 -3.037 2.652 1.00 0.00 C ATOM 1079 CG LYS A 75 13.262 -4.308 3.018 1.00 0.00 C ATOM 1080 CD LYS A 75 12.374 -5.534 2.888 1.00 0.00 C ATOM 1081 CE LYS A 75 13.180 -6.771 2.525 1.00 0.00 C ATOM 1082 NZ LYS A 75 12.537 -8.019 3.023 1.00 0.00 N ATOM 0 H LYS A 75 12.125 -2.366 4.989 1.00 0.00 H new ATOM 0 HA LYS A 75 14.219 -1.851 3.212 1.00 0.00 H new ATOM 0 HB2 LYS A 75 11.483 -3.122 2.989 1.00 0.00 H new ATOM 0 HB3 LYS A 75 12.490 -2.941 1.567 1.00 0.00 H new ATOM 0 HG2 LYS A 75 14.133 -4.418 2.372 1.00 0.00 H new ATOM 0 HG3 LYS A 75 13.631 -4.232 4.041 1.00 0.00 H new ATOM 0 HD2 LYS A 75 11.848 -5.704 3.827 1.00 0.00 H new ATOM 0 HD3 LYS A 75 11.616 -5.356 2.125 1.00 0.00 H new ATOM 0 HE2 LYS A 75 13.291 -6.827 1.442 1.00 0.00 H new ATOM 0 HE3 LYS A 75 14.183 -6.687 2.944 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 13.123 -8.435 3.774 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 11.595 -7.796 3.402 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 12.444 -8.698 2.240 1.00 0.00 H new ATOM 1096 N VAL A 76 11.674 0.137 2.908 1.00 0.00 N ATOM 1097 CA VAL A 76 11.171 1.324 2.226 1.00 0.00 C ATOM 1098 C VAL A 76 12.082 2.523 2.464 1.00 0.00 C ATOM 1099 O VAL A 76 12.468 3.219 1.525 1.00 0.00 O ATOM 1100 CB VAL A 76 9.745 1.676 2.690 1.00 0.00 C ATOM 1101 CG1 VAL A 76 9.298 2.998 2.084 1.00 0.00 C ATOM 1102 CG2 VAL A 76 8.777 0.560 2.328 1.00 0.00 C ATOM 0 H VAL A 76 11.168 -0.106 3.760 1.00 0.00 H new ATOM 0 HA VAL A 76 11.152 1.092 1.161 1.00 0.00 H new ATOM 0 HB VAL A 76 9.750 1.784 3.775 1.00 0.00 H new ATOM 0 HG11 VAL A 76 8.288 3.231 2.423 1.00 0.00 H new ATOM 0 HG12 VAL A 76 9.978 3.790 2.398 1.00 0.00 H new ATOM 0 HG13 VAL A 76 9.307 2.921 0.997 1.00 0.00 H new ATOM 0 HG21 VAL A 76 7.774 0.825 2.663 1.00 0.00 H new ATOM 0 HG22 VAL A 76 8.773 0.418 1.247 1.00 0.00 H new ATOM 0 HG23 VAL A 76 9.089 -0.364 2.814 1.00 0.00 H new ATOM 1112 N LYS A 77 12.423 2.758 3.726 1.00 0.00 N ATOM 1113 CA LYS A 77 13.290 3.872 4.090 1.00 0.00 C ATOM 1114 C LYS A 77 14.669 3.717 3.457 1.00 0.00 C ATOM 1115 O LYS A 77 15.144 4.608 2.752 1.00 0.00 O ATOM 1116 CB LYS A 77 13.424 3.965 5.612 1.00 0.00 C ATOM 1117 CG LYS A 77 12.177 4.493 6.301 1.00 0.00 C ATOM 1118 CD LYS A 77 12.451 4.850 7.752 1.00 0.00 C ATOM 1119 CE LYS A 77 12.437 3.616 8.642 1.00 0.00 C ATOM 1120 NZ LYS A 77 12.827 3.938 10.042 1.00 0.00 N ATOM 0 H LYS A 77 12.112 2.191 4.515 1.00 0.00 H new ATOM 0 HA LYS A 77 12.838 4.790 3.714 1.00 0.00 H new ATOM 0 HB2 LYS A 77 13.658 2.977 6.009 1.00 0.00 H new ATOM 0 HB3 LYS A 77 14.266 4.613 5.855 1.00 0.00 H new ATOM 0 HG2 LYS A 77 11.813 5.373 5.771 1.00 0.00 H new ATOM 0 HG3 LYS A 77 11.388 3.742 6.253 1.00 0.00 H new ATOM 0 HD2 LYS A 77 13.419 5.345 7.829 1.00 0.00 H new ATOM 0 HD3 LYS A 77 11.701 5.560 8.101 1.00 0.00 H new ATOM 0 HE2 LYS A 77 11.440 3.174 8.635 1.00 0.00 H new ATOM 0 HE3 LYS A 77 13.120 2.869 8.238 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 12.805 3.071 10.617 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 13.788 4.336 10.052 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 12.161 4.632 10.437 1.00 0.00 H new ATOM 1134 N LYS A 78 15.308 2.580 3.712 1.00 0.00 N ATOM 1135 CA LYS A 78 16.631 2.306 3.165 1.00 0.00 C ATOM 1136 C LYS A 78 16.637 2.465 1.648 1.00 0.00 C ATOM 1137 O LYS A 78 17.554 3.058 1.080 1.00 0.00 O ATOM 1138 CB LYS A 78 17.079 0.892 3.541 1.00 0.00 C ATOM 1139 CG LYS A 78 17.373 0.721 5.021 1.00 0.00 C ATOM 1140 CD LYS A 78 18.335 -0.429 5.270 1.00 0.00 C ATOM 1141 CE LYS A 78 17.611 -1.766 5.295 1.00 0.00 C ATOM 1142 NZ LYS A 78 17.324 -2.268 3.923 1.00 0.00 N ATOM 0 H LYS A 78 14.930 1.833 4.295 1.00 0.00 H new ATOM 0 HA LYS A 78 17.328 3.027 3.591 1.00 0.00 H new ATOM 0 HB2 LYS A 78 16.303 0.184 3.249 1.00 0.00 H new ATOM 0 HB3 LYS A 78 17.972 0.639 2.970 1.00 0.00 H new ATOM 0 HG2 LYS A 78 17.797 1.644 5.417 1.00 0.00 H new ATOM 0 HG3 LYS A 78 16.442 0.541 5.559 1.00 0.00 H new ATOM 0 HD2 LYS A 78 19.098 -0.442 4.491 1.00 0.00 H new ATOM 0 HD3 LYS A 78 18.850 -0.275 6.218 1.00 0.00 H new ATOM 0 HE2 LYS A 78 18.217 -2.497 5.830 1.00 0.00 H new ATOM 0 HE3 LYS A 78 16.677 -1.663 5.847 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 17.368 -3.307 3.917 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 16.374 -1.960 3.632 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 18.029 -1.888 3.260 1.00 0.00 H new ATOM 1156 N SER A 79 15.607 1.933 0.997 1.00 0.00 N ATOM 1157 CA SER A 79 15.494 2.015 -0.454 1.00 0.00 C ATOM 1158 C SER A 79 16.069 3.330 -0.971 1.00 0.00 C ATOM 1159 O SER A 79 16.750 3.364 -1.994 1.00 0.00 O ATOM 1160 CB SER A 79 14.032 1.881 -0.882 1.00 0.00 C ATOM 1161 OG SER A 79 13.928 1.623 -2.272 1.00 0.00 O ATOM 0 H SER A 79 14.839 1.440 1.452 1.00 0.00 H new ATOM 0 HA SER A 79 16.067 1.194 -0.885 1.00 0.00 H new ATOM 0 HB2 SER A 79 13.559 1.074 -0.323 1.00 0.00 H new ATOM 0 HB3 SER A 79 13.493 2.796 -0.638 1.00 0.00 H new ATOM 0 HG SER A 79 13.505 2.388 -2.716 1.00 0.00 H new ATOM 1167 N GLY A 80 15.787 4.414 -0.253 1.00 0.00 N ATOM 1168 CA GLY A 80 16.282 5.718 -0.653 1.00 0.00 C ATOM 1169 C GLY A 80 15.193 6.772 -0.667 1.00 0.00 C ATOM 1170 O GLY A 80 14.761 7.242 0.385 1.00 0.00 O ATOM 0 H GLY A 80 15.225 4.412 0.598 1.00 0.00 H new ATOM 0 HA2 GLY A 80 17.074 6.027 0.029 1.00 0.00 H new ATOM 0 HA3 GLY A 80 16.726 5.646 -1.646 1.00 0.00 H new ATOM 1174 N SER A 81 14.750 7.148 -1.863 1.00 0.00 N ATOM 1175 CA SER A 81 13.709 8.158 -2.010 1.00 0.00 C ATOM 1176 C SER A 81 12.492 7.583 -2.728 1.00 0.00 C ATOM 1177 O SER A 81 11.351 7.907 -2.397 1.00 0.00 O ATOM 1178 CB SER A 81 14.246 9.365 -2.781 1.00 0.00 C ATOM 1179 OG SER A 81 15.008 10.211 -1.936 1.00 0.00 O ATOM 0 H SER A 81 15.096 6.768 -2.744 1.00 0.00 H new ATOM 0 HA SER A 81 13.404 8.478 -1.014 1.00 0.00 H new ATOM 0 HB2 SER A 81 14.863 9.024 -3.612 1.00 0.00 H new ATOM 0 HB3 SER A 81 13.415 9.926 -3.209 1.00 0.00 H new ATOM 0 HG SER A 81 15.342 10.974 -2.452 1.00 0.00 H new ATOM 1185 N ARG A 82 12.743 6.726 -3.713 1.00 0.00 N ATOM 1186 CA ARG A 82 11.669 6.106 -4.479 1.00 0.00 C ATOM 1187 C ARG A 82 11.590 4.609 -4.192 1.00 0.00 C ATOM 1188 O ARG A 82 12.595 3.974 -3.871 1.00 0.00 O ATOM 1189 CB ARG A 82 11.882 6.338 -5.976 1.00 0.00 C ATOM 1190 CG ARG A 82 11.908 7.807 -6.366 1.00 0.00 C ATOM 1191 CD ARG A 82 12.692 8.028 -7.651 1.00 0.00 C ATOM 1192 NE ARG A 82 14.097 7.659 -7.505 1.00 0.00 N ATOM 1193 CZ ARG A 82 15.023 7.914 -8.423 1.00 0.00 C ATOM 1194 NH1 ARG A 82 14.694 8.536 -9.546 1.00 0.00 N ATOM 1195 NH2 ARG A 82 16.282 7.547 -8.217 1.00 0.00 N ATOM 0 H ARG A 82 13.681 6.446 -3.999 1.00 0.00 H new ATOM 0 HA ARG A 82 10.729 6.567 -4.177 1.00 0.00 H new ATOM 0 HB2 ARG A 82 12.821 5.874 -6.277 1.00 0.00 H new ATOM 0 HB3 ARG A 82 11.087 5.838 -6.529 1.00 0.00 H new ATOM 0 HG2 ARG A 82 10.888 8.169 -6.494 1.00 0.00 H new ATOM 0 HG3 ARG A 82 12.355 8.391 -5.561 1.00 0.00 H new ATOM 0 HD2 ARG A 82 12.245 7.442 -8.454 1.00 0.00 H new ATOM 0 HD3 ARG A 82 12.621 9.076 -7.943 1.00 0.00 H new ATOM 0 HE ARG A 82 14.383 7.179 -6.652 1.00 0.00 H new ATOM 0 HH11 ARG A 82 13.728 8.820 -9.707 1.00 0.00 H new ATOM 0 HH12 ARG A 82 15.407 8.730 -10.249 1.00 0.00 H new ATOM 0 HH21 ARG A 82 16.539 7.069 -7.353 1.00 0.00 H new ATOM 0 HH22 ARG A 82 16.992 7.743 -8.922 1.00 0.00 H new ATOM 1209 N VAL A 83 10.389 4.052 -4.309 1.00 0.00 N ATOM 1210 CA VAL A 83 10.179 2.630 -4.063 1.00 0.00 C ATOM 1211 C VAL A 83 9.207 2.035 -5.075 1.00 0.00 C ATOM 1212 O VAL A 83 8.480 2.760 -5.754 1.00 0.00 O ATOM 1213 CB VAL A 83 9.640 2.381 -2.642 1.00 0.00 C ATOM 1214 CG1 VAL A 83 10.761 2.482 -1.619 1.00 0.00 C ATOM 1215 CG2 VAL A 83 8.521 3.359 -2.317 1.00 0.00 C ATOM 0 H VAL A 83 9.547 4.563 -4.573 1.00 0.00 H new ATOM 0 HA VAL A 83 11.149 2.144 -4.166 1.00 0.00 H new ATOM 0 HB VAL A 83 9.232 1.371 -2.600 1.00 0.00 H new ATOM 0 HG11 VAL A 83 10.360 2.303 -0.621 1.00 0.00 H new ATOM 0 HG12 VAL A 83 11.525 1.737 -1.842 1.00 0.00 H new ATOM 0 HG13 VAL A 83 11.202 3.478 -1.660 1.00 0.00 H new ATOM 0 HG21 VAL A 83 8.152 3.168 -1.309 1.00 0.00 H new ATOM 0 HG22 VAL A 83 8.900 4.379 -2.378 1.00 0.00 H new ATOM 0 HG23 VAL A 83 7.707 3.231 -3.031 1.00 0.00 H new ATOM 1225 N MET A 84 9.200 0.710 -5.171 1.00 0.00 N ATOM 1226 CA MET A 84 8.315 0.016 -6.101 1.00 0.00 C ATOM 1227 C MET A 84 7.387 -0.940 -5.358 1.00 0.00 C ATOM 1228 O MET A 84 7.818 -1.984 -4.868 1.00 0.00 O ATOM 1229 CB MET A 84 9.134 -0.753 -7.139 1.00 0.00 C ATOM 1230 CG MET A 84 8.290 -1.635 -8.046 1.00 0.00 C ATOM 1231 SD MET A 84 9.287 -2.738 -9.066 1.00 0.00 S ATOM 1232 CE MET A 84 10.443 -1.577 -9.790 1.00 0.00 C ATOM 0 H MET A 84 9.796 0.095 -4.617 1.00 0.00 H new ATOM 0 HA MET A 84 7.706 0.763 -6.610 1.00 0.00 H new ATOM 0 HB2 MET A 84 9.689 -0.042 -7.751 1.00 0.00 H new ATOM 0 HB3 MET A 84 9.868 -1.372 -6.624 1.00 0.00 H new ATOM 0 HG2 MET A 84 7.607 -2.228 -7.437 1.00 0.00 H new ATOM 0 HG3 MET A 84 7.677 -1.005 -8.691 1.00 0.00 H new ATOM 0 HE1 MET A 84 10.947 -2.045 -10.636 1.00 0.00 H new ATOM 0 HE2 MET A 84 9.905 -0.693 -10.132 1.00 0.00 H new ATOM 0 HE3 MET A 84 11.182 -1.286 -9.043 1.00 0.00 H new ATOM 1242 N PHE A 85 6.112 -0.576 -5.277 1.00 0.00 N ATOM 1243 CA PHE A 85 5.123 -1.400 -4.592 1.00 0.00 C ATOM 1244 C PHE A 85 4.296 -2.202 -5.593 1.00 0.00 C ATOM 1245 O PHE A 85 3.671 -1.638 -6.492 1.00 0.00 O ATOM 1246 CB PHE A 85 4.203 -0.527 -3.736 1.00 0.00 C ATOM 1247 CG PHE A 85 4.908 0.145 -2.593 1.00 0.00 C ATOM 1248 CD1 PHE A 85 5.568 -0.604 -1.632 1.00 0.00 C ATOM 1249 CD2 PHE A 85 4.909 1.526 -2.478 1.00 0.00 C ATOM 1250 CE1 PHE A 85 6.218 0.012 -0.579 1.00 0.00 C ATOM 1251 CE2 PHE A 85 5.557 2.147 -1.427 1.00 0.00 C ATOM 1252 CZ PHE A 85 6.211 1.389 -0.475 1.00 0.00 C ATOM 0 H PHE A 85 5.739 0.285 -5.677 1.00 0.00 H new ATOM 0 HA PHE A 85 5.655 -2.098 -3.945 1.00 0.00 H new ATOM 0 HB2 PHE A 85 3.746 0.234 -4.368 1.00 0.00 H new ATOM 0 HB3 PHE A 85 3.394 -1.142 -3.342 1.00 0.00 H new ATOM 0 HD1 PHE A 85 5.575 -1.681 -1.707 1.00 0.00 H new ATOM 0 HD2 PHE A 85 4.398 2.124 -3.218 1.00 0.00 H new ATOM 0 HE1 PHE A 85 6.731 -0.583 0.162 1.00 0.00 H new ATOM 0 HE2 PHE A 85 5.552 3.224 -1.350 1.00 0.00 H new ATOM 0 HZ PHE A 85 6.716 1.872 0.349 1.00 0.00 H new ATOM 1262 N LEU A 86 4.298 -3.520 -5.431 1.00 0.00 N ATOM 1263 CA LEU A 86 3.549 -4.401 -6.320 1.00 0.00 C ATOM 1264 C LEU A 86 2.437 -5.120 -5.564 1.00 0.00 C ATOM 1265 O LEU A 86 2.699 -5.961 -4.703 1.00 0.00 O ATOM 1266 CB LEU A 86 4.486 -5.424 -6.965 1.00 0.00 C ATOM 1267 CG LEU A 86 3.827 -6.449 -7.889 1.00 0.00 C ATOM 1268 CD1 LEU A 86 3.516 -5.827 -9.242 1.00 0.00 C ATOM 1269 CD2 LEU A 86 4.720 -7.670 -8.053 1.00 0.00 C ATOM 0 H LEU A 86 4.810 -4.002 -4.692 1.00 0.00 H new ATOM 0 HA LEU A 86 3.096 -3.789 -7.100 1.00 0.00 H new ATOM 0 HB2 LEU A 86 5.243 -4.885 -7.535 1.00 0.00 H new ATOM 0 HB3 LEU A 86 5.006 -5.961 -6.172 1.00 0.00 H new ATOM 0 HG LEU A 86 2.889 -6.768 -7.436 1.00 0.00 H new ATOM 0 HD11 LEU A 86 3.048 -6.572 -9.886 1.00 0.00 H new ATOM 0 HD12 LEU A 86 2.837 -4.985 -9.108 1.00 0.00 H new ATOM 0 HD13 LEU A 86 4.440 -5.478 -9.703 1.00 0.00 H new ATOM 0 HD21 LEU A 86 4.235 -8.389 -8.714 1.00 0.00 H new ATOM 0 HD22 LEU A 86 5.675 -7.367 -8.484 1.00 0.00 H new ATOM 0 HD23 LEU A 86 4.891 -8.129 -7.079 1.00 0.00 H new ATOM 1281 N LEU A 87 1.193 -4.786 -5.891 1.00 0.00 N ATOM 1282 CA LEU A 87 0.040 -5.401 -5.245 1.00 0.00 C ATOM 1283 C LEU A 87 -1.014 -5.797 -6.274 1.00 0.00 C ATOM 1284 O LEU A 87 -0.908 -5.453 -7.451 1.00 0.00 O ATOM 1285 CB LEU A 87 -0.567 -4.441 -4.220 1.00 0.00 C ATOM 1286 CG LEU A 87 0.404 -3.463 -3.558 1.00 0.00 C ATOM 1287 CD1 LEU A 87 0.491 -2.173 -4.359 1.00 0.00 C ATOM 1288 CD2 LEU A 87 -0.020 -3.176 -2.125 1.00 0.00 C ATOM 0 H LEU A 87 0.958 -4.092 -6.600 1.00 0.00 H new ATOM 0 HA LEU A 87 0.379 -6.302 -4.734 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -1.352 -3.866 -4.711 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -1.046 -5.031 -3.439 1.00 0.00 H new ATOM 0 HG LEU A 87 1.393 -3.921 -3.537 1.00 0.00 H new ATOM 0 HD11 LEU A 87 1.187 -1.489 -3.873 1.00 0.00 H new ATOM 0 HD12 LEU A 87 0.843 -2.393 -5.367 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -0.495 -1.711 -4.412 1.00 0.00 H new ATOM 0 HD21 LEU A 87 0.683 -2.478 -1.670 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -1.019 -2.739 -2.122 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -0.029 -4.105 -1.555 1.00 0.00 H new ATOM 1300 N VAL A 88 -2.033 -6.521 -5.821 1.00 0.00 N ATOM 1301 CA VAL A 88 -3.109 -6.962 -6.701 1.00 0.00 C ATOM 1302 C VAL A 88 -4.444 -6.355 -6.284 1.00 0.00 C ATOM 1303 O VAL A 88 -4.689 -6.123 -5.100 1.00 0.00 O ATOM 1304 CB VAL A 88 -3.235 -8.497 -6.708 1.00 0.00 C ATOM 1305 CG1 VAL A 88 -3.977 -8.966 -7.951 1.00 0.00 C ATOM 1306 CG2 VAL A 88 -1.861 -9.144 -6.621 1.00 0.00 C ATOM 0 H VAL A 88 -2.136 -6.815 -4.850 1.00 0.00 H new ATOM 0 HA VAL A 88 -2.856 -6.621 -7.705 1.00 0.00 H new ATOM 0 HB VAL A 88 -3.811 -8.802 -5.834 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -4.056 -10.053 -7.939 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -4.976 -8.529 -7.965 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -3.431 -8.652 -8.841 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -1.969 -10.229 -6.627 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -1.258 -8.834 -7.475 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -1.370 -8.833 -5.699 1.00 0.00 H new ATOM 1316 N ASP A 89 -5.303 -6.100 -7.264 1.00 0.00 N ATOM 1317 CA ASP A 89 -6.616 -5.522 -6.998 1.00 0.00 C ATOM 1318 C ASP A 89 -7.467 -6.468 -6.159 1.00 0.00 C ATOM 1319 O ASP A 89 -7.591 -7.653 -6.472 1.00 0.00 O ATOM 1320 CB ASP A 89 -7.331 -5.202 -8.312 1.00 0.00 C ATOM 1321 CG ASP A 89 -6.401 -4.596 -9.345 1.00 0.00 C ATOM 1322 OD1 ASP A 89 -5.757 -3.571 -9.035 1.00 0.00 O ATOM 1323 OD2 ASP A 89 -6.316 -5.146 -10.462 1.00 0.00 O ATOM 0 H ASP A 89 -5.115 -6.284 -8.249 1.00 0.00 H new ATOM 0 HA ASP A 89 -6.472 -4.599 -6.437 1.00 0.00 H new ATOM 0 HB2 ASP A 89 -7.771 -6.115 -8.714 1.00 0.00 H new ATOM 0 HB3 ASP A 89 -8.152 -4.512 -8.117 1.00 0.00 H new ATOM 1328 N LYS A 90 -8.052 -5.939 -5.090 1.00 0.00 N ATOM 1329 CA LYS A 90 -8.893 -6.735 -4.204 1.00 0.00 C ATOM 1330 C LYS A 90 -10.015 -7.414 -4.983 1.00 0.00 C ATOM 1331 O LYS A 90 -10.496 -8.478 -4.594 1.00 0.00 O ATOM 1332 CB LYS A 90 -9.484 -5.855 -3.100 1.00 0.00 C ATOM 1333 CG LYS A 90 -10.610 -4.954 -3.579 1.00 0.00 C ATOM 1334 CD LYS A 90 -10.081 -3.624 -4.089 1.00 0.00 C ATOM 1335 CE LYS A 90 -11.214 -2.692 -4.492 1.00 0.00 C ATOM 1336 NZ LYS A 90 -10.710 -1.348 -4.890 1.00 0.00 N ATOM 0 H LYS A 90 -7.959 -4.961 -4.816 1.00 0.00 H new ATOM 0 HA LYS A 90 -8.271 -7.507 -3.751 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -9.856 -6.493 -2.298 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -8.692 -5.238 -2.675 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -11.165 -5.454 -4.373 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -11.310 -4.779 -2.762 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -9.477 -3.151 -3.315 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -9.427 -3.795 -4.944 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -11.769 -3.132 -5.320 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -11.911 -2.587 -3.661 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -11.357 -0.615 -4.534 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -9.763 -1.199 -4.487 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -10.658 -1.290 -5.927 1.00 0.00 H new ATOM 1350 N GLU A 91 -10.424 -6.793 -6.084 1.00 0.00 N ATOM 1351 CA GLU A 91 -11.489 -7.339 -6.918 1.00 0.00 C ATOM 1352 C GLU A 91 -10.936 -8.364 -7.904 1.00 0.00 C ATOM 1353 O GLU A 91 -11.676 -9.191 -8.438 1.00 0.00 O ATOM 1354 CB GLU A 91 -12.200 -6.217 -7.677 1.00 0.00 C ATOM 1355 CG GLU A 91 -11.284 -5.067 -8.061 1.00 0.00 C ATOM 1356 CD GLU A 91 -11.929 -4.112 -9.046 1.00 0.00 C ATOM 1357 OE1 GLU A 91 -12.262 -4.552 -10.167 1.00 0.00 O ATOM 1358 OE2 GLU A 91 -12.100 -2.925 -8.698 1.00 0.00 O ATOM 0 H GLU A 91 -10.035 -5.912 -6.420 1.00 0.00 H new ATOM 0 HA GLU A 91 -12.206 -7.837 -6.266 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -12.650 -6.629 -8.580 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -13.014 -5.833 -7.062 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -10.999 -4.519 -7.163 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -10.368 -5.467 -8.495 1.00 0.00 H new