USER MOD reduce.3.24.130724 H: found=0, std=0, add=807, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 808 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 65 LYS NZ :NH3+ 146:sc= 0.0909 (180deg=-1.2) USER MOD Set 1.2: A 71 ASN : amide:sc= -1.34 X(o=-1.2,f=-1.7) USER MOD Set 2.1: A 31 ASN : amide:sc= -2.26 K(o=-3.4,f=-6.9!) USER MOD Set 2.2: A 34 ASN : amide:sc= -1.12 K(o=-3.4,f=-9.7!) USER MOD Single : A 13 SER OG : rot -68:sc= 0.541 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 24 LYS NZ :NH3+ -179:sc= 0.755 (180deg=0.741) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 28 GLN : amide:sc= 0 K(o=0,f=-0.6) USER MOD Single : A 30 MET CE :methyl -178:sc= -3.16 (180deg=-3.19) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 LYS NZ :NH3+ -173:sc= 0.449 (180deg=0.243) USER MOD Single : A 39 CYS SG : rot 73:sc= 0.00632 USER MOD Single : A 40 LYS NZ :NH3+ -171:sc=-0.00913 (180deg=-0.112) USER MOD Single : A 42 CYS SG : rot 88:sc= -5.48! USER MOD Single : A 43 LYS NZ :NH3+ 141:sc= -1.38 (180deg=-3.75!) USER MOD Single : A 48 LYS NZ :NH3+ 138:sc= 1.23 (180deg=1.07) USER MOD Single : A 49 SER OG : rot 142:sc= 0.487 USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ -160:sc= 1.2 (180deg=0.226) USER MOD Single : A 63 LYS NZ :NH3+ -149:sc= 1.28 (180deg=0.778) USER MOD Single : A 66 SER OG : rot -46:sc= 1.02 USER MOD Single : A 72 TYR OH : rot 180:sc= 0 USER MOD Single : A 76 LYS NZ :NH3+ -167:sc= 1.13 (180deg=0.95) USER MOD Single : A 77 LYS NZ :NH3+ -155:sc= 1.26 (180deg=1.16) USER MOD Single : A 84 THR OG1 : rot -12:sc= 1.25 USER MOD Single : A 85 LYS NZ :NH3+ -179:sc= 0.305 (180deg=0.303) USER MOD Single : A 88 LYS NZ :NH3+ 170:sc=-0.00771 (180deg=-0.111) USER MOD Single : A 90 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0161) USER MOD Single : A 91 SER OG : rot 180:sc= -0.467 USER MOD Single : A 92 LYS NZ :NH3+ -127:sc= 0.806 (180deg=0.449) USER MOD Single : A 100 CYS SG : rot 81:sc= -2.71! USER MOD Single : A 101 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 106 LYS NZ :NH3+ -153:sc= 1.3 (180deg=0.912) USER MOD ----------------------------------------------------------------- ATOM 77 N ILE A 7 13.705 0.144 0.877 1.00 0.00 N ATOM 78 CA ILE A 7 13.181 -0.811 1.865 1.00 0.00 C ATOM 79 C ILE A 7 13.363 -2.281 1.438 1.00 0.00 C ATOM 80 O ILE A 7 13.533 -3.158 2.288 1.00 0.00 O ATOM 81 CB ILE A 7 11.682 -0.527 2.151 1.00 0.00 C ATOM 82 CG1 ILE A 7 11.497 0.940 2.583 1.00 0.00 C ATOM 83 CG2 ILE A 7 11.137 -1.475 3.219 1.00 0.00 C ATOM 84 CD1 ILE A 7 10.060 1.330 2.869 1.00 0.00 C ATOM 0 HA ILE A 7 13.765 -0.667 2.774 1.00 0.00 H new ATOM 0 HB ILE A 7 11.118 -0.699 1.234 1.00 0.00 H new ATOM 0 HG12 ILE A 7 12.095 1.122 3.476 1.00 0.00 H new ATOM 0 HG13 ILE A 7 11.888 1.589 1.800 1.00 0.00 H new ATOM 0 HG21 ILE A 7 10.085 -1.254 3.399 1.00 0.00 H new ATOM 0 HG22 ILE A 7 11.238 -2.505 2.877 1.00 0.00 H new ATOM 0 HG23 ILE A 7 11.699 -1.343 4.143 1.00 0.00 H new ATOM 0 HD11 ILE A 7 10.020 2.378 3.166 1.00 0.00 H new ATOM 0 HD12 ILE A 7 9.458 1.184 1.972 1.00 0.00 H new ATOM 0 HD13 ILE A 7 9.668 0.709 3.674 1.00 0.00 H new ATOM 96 N ALA A 8 13.332 -2.543 0.129 1.00 0.00 N ATOM 97 CA ALA A 8 13.505 -3.904 -0.420 1.00 0.00 C ATOM 98 C ALA A 8 12.303 -4.822 -0.123 1.00 0.00 C ATOM 99 O ALA A 8 11.538 -5.164 -1.028 1.00 0.00 O ATOM 100 CB ALA A 8 14.801 -4.537 0.086 1.00 0.00 C ATOM 0 H ALA A 8 13.187 -1.827 -0.583 1.00 0.00 H new ATOM 0 HA ALA A 8 13.564 -3.797 -1.503 1.00 0.00 H new ATOM 0 HB1 ALA A 8 14.905 -5.538 -0.333 1.00 0.00 H new ATOM 0 HB2 ALA A 8 15.649 -3.925 -0.222 1.00 0.00 H new ATOM 0 HB3 ALA A 8 14.775 -4.600 1.174 1.00 0.00 H new ATOM 106 N GLY A 9 12.137 -5.207 1.144 1.00 0.00 N ATOM 107 CA GLY A 9 11.060 -6.120 1.530 1.00 0.00 C ATOM 108 C GLY A 9 9.674 -5.619 1.137 1.00 0.00 C ATOM 109 O GLY A 9 8.851 -6.378 0.622 1.00 0.00 O ATOM 0 H GLY A 9 12.731 -4.903 1.916 1.00 0.00 H new ATOM 0 HA2 GLY A 9 11.233 -7.091 1.066 1.00 0.00 H new ATOM 0 HA3 GLY A 9 11.091 -6.272 2.609 1.00 0.00 H new ATOM 113 N LEU A 10 9.411 -4.340 1.396 1.00 0.00 N ATOM 114 CA LEU A 10 8.158 -3.702 0.974 1.00 0.00 C ATOM 115 C LEU A 10 7.976 -3.809 -0.545 1.00 0.00 C ATOM 116 O LEU A 10 6.904 -4.162 -1.036 1.00 0.00 O ATOM 117 CB LEU A 10 8.149 -2.225 1.386 1.00 0.00 C ATOM 118 CG LEU A 10 6.929 -1.415 0.915 1.00 0.00 C ATOM 119 CD1 LEU A 10 5.663 -1.857 1.644 1.00 0.00 C ATOM 120 CD2 LEU A 10 7.178 0.079 1.096 1.00 0.00 C ATOM 0 H LEU A 10 10.048 -3.721 1.897 1.00 0.00 H new ATOM 0 HA LEU A 10 7.334 -4.220 1.465 1.00 0.00 H new ATOM 0 HB2 LEU A 10 8.203 -2.168 2.473 1.00 0.00 H new ATOM 0 HB3 LEU A 10 9.050 -1.751 0.997 1.00 0.00 H new ATOM 0 HG LEU A 10 6.780 -1.607 -0.147 1.00 0.00 H new ATOM 0 HD11 LEU A 10 4.816 -1.268 1.292 1.00 0.00 H new ATOM 0 HD12 LEU A 10 5.479 -2.913 1.445 1.00 0.00 H new ATOM 0 HD13 LEU A 10 5.789 -1.706 2.716 1.00 0.00 H new ATOM 0 HD21 LEU A 10 6.305 0.637 0.758 1.00 0.00 H new ATOM 0 HD22 LEU A 10 7.360 0.293 2.149 1.00 0.00 H new ATOM 0 HD23 LEU A 10 8.048 0.376 0.510 1.00 0.00 H new ATOM 132 N GLU A 11 9.046 -3.507 -1.276 1.00 0.00 N ATOM 133 CA GLU A 11 9.044 -3.580 -2.740 1.00 0.00 C ATOM 134 C GLU A 11 8.768 -5.013 -3.221 1.00 0.00 C ATOM 135 O GLU A 11 8.119 -5.228 -4.249 1.00 0.00 O ATOM 136 CB GLU A 11 10.396 -3.089 -3.274 1.00 0.00 C ATOM 137 CG GLU A 11 10.758 -1.678 -2.814 1.00 0.00 C ATOM 138 CD GLU A 11 12.160 -1.261 -3.230 1.00 0.00 C ATOM 139 OE1 GLU A 11 12.384 -1.050 -4.438 1.00 0.00 O ATOM 140 OE2 GLU A 11 13.044 -1.157 -2.350 1.00 0.00 O ATOM 0 H GLU A 11 9.935 -3.206 -0.876 1.00 0.00 H new ATOM 0 HA GLU A 11 8.247 -2.942 -3.123 1.00 0.00 H new ATOM 0 HB2 GLU A 11 11.177 -3.779 -2.953 1.00 0.00 H new ATOM 0 HB3 GLU A 11 10.378 -3.114 -4.364 1.00 0.00 H new ATOM 0 HG2 GLU A 11 10.037 -0.971 -3.225 1.00 0.00 H new ATOM 0 HG3 GLU A 11 10.675 -1.623 -1.729 1.00 0.00 H new ATOM 147 N GLU A 12 9.260 -5.988 -2.462 1.00 0.00 N ATOM 148 CA GLU A 12 9.033 -7.401 -2.766 1.00 0.00 C ATOM 149 C GLU A 12 7.548 -7.756 -2.608 1.00 0.00 C ATOM 150 O GLU A 12 6.934 -8.336 -3.508 1.00 0.00 O ATOM 151 CB GLU A 12 9.885 -8.285 -1.842 1.00 0.00 C ATOM 152 CG GLU A 12 9.993 -9.737 -2.298 1.00 0.00 C ATOM 153 CD GLU A 12 10.792 -9.878 -3.583 1.00 0.00 C ATOM 154 OE1 GLU A 12 12.037 -9.919 -3.514 1.00 0.00 O ATOM 155 OE2 GLU A 12 10.184 -9.919 -4.673 1.00 0.00 O ATOM 0 H GLU A 12 9.822 -5.826 -1.626 1.00 0.00 H new ATOM 0 HA GLU A 12 9.325 -7.582 -3.800 1.00 0.00 H new ATOM 0 HB2 GLU A 12 10.887 -7.861 -1.773 1.00 0.00 H new ATOM 0 HB3 GLU A 12 9.459 -8.261 -0.839 1.00 0.00 H new ATOM 0 HG2 GLU A 12 10.464 -10.328 -1.513 1.00 0.00 H new ATOM 0 HG3 GLU A 12 8.993 -10.144 -2.448 1.00 0.00 H new ATOM 162 N SER A 13 6.975 -7.394 -1.459 1.00 0.00 N ATOM 163 CA SER A 13 5.546 -7.616 -1.204 1.00 0.00 C ATOM 164 C SER A 13 4.674 -6.878 -2.229 1.00 0.00 C ATOM 165 O SER A 13 3.609 -7.367 -2.611 1.00 0.00 O ATOM 166 CB SER A 13 5.167 -7.186 0.221 1.00 0.00 C ATOM 167 OG SER A 13 5.773 -8.032 1.188 1.00 0.00 O ATOM 0 H SER A 13 7.475 -6.947 -0.690 1.00 0.00 H new ATOM 0 HA SER A 13 5.360 -8.685 -1.305 1.00 0.00 H new ATOM 0 HB2 SER A 13 5.479 -6.155 0.388 1.00 0.00 H new ATOM 0 HB3 SER A 13 4.084 -7.214 0.337 1.00 0.00 H new ATOM 0 HG SER A 13 5.378 -8.927 1.133 1.00 0.00 H new ATOM 173 N PHE A 14 5.125 -5.703 -2.679 1.00 0.00 N ATOM 174 CA PHE A 14 4.431 -4.985 -3.753 1.00 0.00 C ATOM 175 C PHE A 14 4.338 -5.867 -5.004 1.00 0.00 C ATOM 176 O PHE A 14 3.265 -6.034 -5.577 1.00 0.00 O ATOM 177 CB PHE A 14 5.139 -3.662 -4.099 1.00 0.00 C ATOM 178 CG PHE A 14 4.424 -2.876 -5.174 1.00 0.00 C ATOM 179 CD1 PHE A 14 3.357 -2.054 -4.850 1.00 0.00 C ATOM 180 CD2 PHE A 14 4.796 -2.982 -6.509 1.00 0.00 C ATOM 181 CE1 PHE A 14 2.680 -1.349 -5.827 1.00 0.00 C ATOM 182 CE2 PHE A 14 4.117 -2.283 -7.491 1.00 0.00 C ATOM 183 CZ PHE A 14 3.057 -1.465 -7.147 1.00 0.00 C ATOM 0 H PHE A 14 5.957 -5.233 -2.322 1.00 0.00 H new ATOM 0 HA PHE A 14 3.428 -4.749 -3.399 1.00 0.00 H new ATOM 0 HB2 PHE A 14 5.216 -3.051 -3.200 1.00 0.00 H new ATOM 0 HB3 PHE A 14 6.156 -3.875 -4.428 1.00 0.00 H new ATOM 0 HD1 PHE A 14 3.050 -1.963 -3.819 1.00 0.00 H new ATOM 0 HD2 PHE A 14 5.625 -3.618 -6.783 1.00 0.00 H new ATOM 0 HE1 PHE A 14 1.855 -0.707 -5.556 1.00 0.00 H new ATOM 0 HE2 PHE A 14 4.415 -2.376 -8.525 1.00 0.00 H new ATOM 0 HZ PHE A 14 2.525 -0.918 -7.912 1.00 0.00 H new ATOM 193 N ARG A 15 5.474 -6.437 -5.411 1.00 0.00 N ATOM 194 CA ARG A 15 5.513 -7.362 -6.549 1.00 0.00 C ATOM 195 C ARG A 15 4.567 -8.550 -6.334 1.00 0.00 C ATOM 196 O ARG A 15 3.800 -8.906 -7.225 1.00 0.00 O ATOM 197 CB ARG A 15 6.942 -7.867 -6.789 1.00 0.00 C ATOM 198 CG ARG A 15 7.872 -6.809 -7.368 1.00 0.00 C ATOM 199 CD ARG A 15 9.277 -7.351 -7.607 1.00 0.00 C ATOM 200 NE ARG A 15 10.030 -7.537 -6.366 1.00 0.00 N ATOM 201 CZ ARG A 15 10.919 -6.688 -5.915 1.00 0.00 C ATOM 202 NH1 ARG A 15 11.126 -5.564 -6.528 1.00 0.00 N ATOM 203 NH2 ARG A 15 11.591 -6.961 -4.844 1.00 0.00 N ATOM 0 H ARG A 15 6.380 -6.275 -4.971 1.00 0.00 H new ATOM 0 HA ARG A 15 5.179 -6.813 -7.430 1.00 0.00 H new ATOM 0 HB2 ARG A 15 7.355 -8.226 -5.846 1.00 0.00 H new ATOM 0 HB3 ARG A 15 6.908 -8.720 -7.467 1.00 0.00 H new ATOM 0 HG2 ARG A 15 7.461 -6.441 -8.308 1.00 0.00 H new ATOM 0 HG3 ARG A 15 7.922 -5.959 -6.687 1.00 0.00 H new ATOM 0 HD2 ARG A 15 9.210 -8.304 -8.132 1.00 0.00 H new ATOM 0 HD3 ARG A 15 9.820 -6.666 -8.258 1.00 0.00 H new ATOM 0 HE ARG A 15 9.851 -8.379 -5.819 1.00 0.00 H new ATOM 0 HH11 ARG A 15 10.594 -5.336 -7.368 1.00 0.00 H new ATOM 0 HH12 ARG A 15 11.820 -4.908 -6.170 1.00 0.00 H new ATOM 0 HH21 ARG A 15 11.429 -7.838 -4.350 1.00 0.00 H new ATOM 0 HH22 ARG A 15 12.283 -6.299 -4.494 1.00 0.00 H new ATOM 217 N LYS A 16 4.632 -9.148 -5.145 1.00 0.00 N ATOM 218 CA LYS A 16 3.737 -10.257 -4.764 1.00 0.00 C ATOM 219 C LYS A 16 2.272 -9.979 -5.147 1.00 0.00 C ATOM 220 O LYS A 16 1.600 -10.828 -5.734 1.00 0.00 O ATOM 221 CB LYS A 16 3.821 -10.513 -3.252 1.00 0.00 C ATOM 222 CG LYS A 16 5.179 -11.009 -2.776 1.00 0.00 C ATOM 223 CD LYS A 16 5.540 -12.347 -3.409 1.00 0.00 C ATOM 224 CE LYS A 16 6.832 -12.914 -2.840 1.00 0.00 C ATOM 225 NZ LYS A 16 7.163 -14.235 -3.436 1.00 0.00 N ATOM 0 H LYS A 16 5.298 -8.885 -4.419 1.00 0.00 H new ATOM 0 HA LYS A 16 4.071 -11.138 -5.313 1.00 0.00 H new ATOM 0 HB2 LYS A 16 3.579 -9.590 -2.725 1.00 0.00 H new ATOM 0 HB3 LYS A 16 3.062 -11.246 -2.977 1.00 0.00 H new ATOM 0 HG2 LYS A 16 5.943 -10.272 -3.022 1.00 0.00 H new ATOM 0 HG3 LYS A 16 5.170 -11.110 -1.691 1.00 0.00 H new ATOM 0 HD2 LYS A 16 4.729 -13.057 -3.245 1.00 0.00 H new ATOM 0 HD3 LYS A 16 5.642 -12.223 -4.487 1.00 0.00 H new ATOM 0 HE2 LYS A 16 7.648 -12.216 -3.026 1.00 0.00 H new ATOM 0 HE3 LYS A 16 6.740 -13.016 -1.759 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 8.050 -14.590 -3.024 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 6.395 -14.908 -3.237 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 7.276 -14.133 -4.465 1.00 0.00 H new ATOM 239 N PHE A 17 1.782 -8.792 -4.802 1.00 0.00 N ATOM 240 CA PHE A 17 0.404 -8.405 -5.123 1.00 0.00 C ATOM 241 C PHE A 17 0.280 -7.825 -6.543 1.00 0.00 C ATOM 242 O PHE A 17 -0.778 -7.913 -7.160 1.00 0.00 O ATOM 243 CB PHE A 17 -0.119 -7.394 -4.095 1.00 0.00 C ATOM 244 CG PHE A 17 -0.374 -7.986 -2.732 1.00 0.00 C ATOM 245 CD1 PHE A 17 0.658 -8.134 -1.815 1.00 0.00 C ATOM 246 CD2 PHE A 17 -1.651 -8.384 -2.363 1.00 0.00 C ATOM 247 CE1 PHE A 17 0.422 -8.674 -0.565 1.00 0.00 C ATOM 248 CE2 PHE A 17 -1.891 -8.922 -1.114 1.00 0.00 C ATOM 249 CZ PHE A 17 -0.854 -9.063 -0.212 1.00 0.00 C ATOM 0 H PHE A 17 2.314 -8.080 -4.301 1.00 0.00 H new ATOM 0 HA PHE A 17 -0.203 -9.310 -5.084 1.00 0.00 H new ATOM 0 HB2 PHE A 17 0.602 -6.582 -3.999 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -1.044 -6.956 -4.469 1.00 0.00 H new ATOM 0 HD1 PHE A 17 1.657 -7.823 -2.082 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -2.467 -8.272 -3.061 1.00 0.00 H new ATOM 0 HE1 PHE A 17 1.236 -8.791 0.135 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -2.889 -9.232 -0.842 1.00 0.00 H new ATOM 0 HZ PHE A 17 -1.042 -9.477 0.768 1.00 0.00 H new ATOM 259 N ALA A 18 1.359 -7.243 -7.057 1.00 0.00 N ATOM 260 CA ALA A 18 1.349 -6.625 -8.392 1.00 0.00 C ATOM 261 C ALA A 18 1.220 -7.673 -9.509 1.00 0.00 C ATOM 262 O ALA A 18 0.333 -7.588 -10.358 1.00 0.00 O ATOM 263 CB ALA A 18 2.608 -5.787 -8.596 1.00 0.00 C ATOM 0 H ALA A 18 2.255 -7.183 -6.574 1.00 0.00 H new ATOM 0 HA ALA A 18 0.474 -5.978 -8.447 1.00 0.00 H new ATOM 0 HB1 ALA A 18 2.588 -5.335 -9.588 1.00 0.00 H new ATOM 0 HB2 ALA A 18 2.649 -5.002 -7.841 1.00 0.00 H new ATOM 0 HB3 ALA A 18 3.488 -6.424 -8.505 1.00 0.00 H new ATOM 269 N ILE A 19 2.100 -8.674 -9.492 1.00 0.00 N ATOM 270 CA ILE A 19 2.110 -9.717 -10.528 1.00 0.00 C ATOM 271 C ILE A 19 0.998 -10.763 -10.311 1.00 0.00 C ATOM 272 O ILE A 19 0.943 -11.783 -11.010 1.00 0.00 O ATOM 273 CB ILE A 19 3.485 -10.435 -10.597 1.00 0.00 C ATOM 274 CG1 ILE A 19 3.765 -11.202 -9.293 1.00 0.00 C ATOM 275 CG2 ILE A 19 4.603 -9.427 -10.880 1.00 0.00 C ATOM 276 CD1 ILE A 19 5.084 -11.956 -9.288 1.00 0.00 C ATOM 0 H ILE A 19 2.816 -8.788 -8.775 1.00 0.00 H new ATOM 0 HA ILE A 19 1.924 -9.208 -11.474 1.00 0.00 H new ATOM 0 HB ILE A 19 3.455 -11.155 -11.415 1.00 0.00 H new ATOM 0 HG12 ILE A 19 3.758 -10.498 -8.461 1.00 0.00 H new ATOM 0 HG13 ILE A 19 2.954 -11.909 -9.119 1.00 0.00 H new ATOM 0 HG21 ILE A 19 5.560 -9.948 -10.925 1.00 0.00 H new ATOM 0 HG22 ILE A 19 4.414 -8.932 -11.833 1.00 0.00 H new ATOM 0 HG23 ILE A 19 4.632 -8.683 -10.084 1.00 0.00 H new ATOM 0 HD11 ILE A 19 5.206 -12.470 -8.334 1.00 0.00 H new ATOM 0 HD12 ILE A 19 5.089 -12.687 -10.097 1.00 0.00 H new ATOM 0 HD13 ILE A 19 5.905 -11.253 -9.429 1.00 0.00 H new ATOM 288 N HIS A 20 0.116 -10.503 -9.342 1.00 0.00 N ATOM 289 CA HIS A 20 -1.035 -11.370 -9.073 1.00 0.00 C ATOM 290 C HIS A 20 -1.970 -11.422 -10.293 1.00 0.00 C ATOM 291 O HIS A 20 -2.879 -10.602 -10.437 1.00 0.00 O ATOM 292 CB HIS A 20 -1.782 -10.867 -7.823 1.00 0.00 C ATOM 293 CG HIS A 20 -3.050 -11.607 -7.511 1.00 0.00 C ATOM 294 ND1 HIS A 20 -3.073 -12.910 -7.069 1.00 0.00 N ATOM 295 CD2 HIS A 20 -4.348 -11.210 -7.559 1.00 0.00 C ATOM 296 CE1 HIS A 20 -4.320 -13.284 -6.858 1.00 0.00 C ATOM 297 NE2 HIS A 20 -5.114 -12.273 -7.146 1.00 0.00 N ATOM 0 H HIS A 20 0.178 -9.692 -8.726 1.00 0.00 H new ATOM 0 HA HIS A 20 -0.682 -12.384 -8.883 1.00 0.00 H new ATOM 0 HB2 HIS A 20 -1.115 -10.939 -6.964 1.00 0.00 H new ATOM 0 HB3 HIS A 20 -2.017 -9.811 -7.957 1.00 0.00 H new ATOM 0 HD2 HIS A 20 -4.710 -10.240 -7.865 1.00 0.00 H new ATOM 0 HE1 HIS A 20 -4.637 -14.255 -6.508 1.00 0.00 H new ATOM 0 HE2 HIS A 20 -6.131 -12.279 -7.074 1.00 0.00 H new ATOM 306 N GLY A 21 -1.714 -12.380 -11.181 1.00 0.00 N ATOM 307 CA GLY A 21 -2.477 -12.502 -12.418 1.00 0.00 C ATOM 308 C GLY A 21 -1.588 -12.504 -13.659 1.00 0.00 C ATOM 309 O GLY A 21 -1.651 -13.422 -14.483 1.00 0.00 O ATOM 0 H GLY A 21 -0.984 -13.083 -11.066 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -3.060 -13.423 -12.392 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -3.187 -11.677 -12.485 1.00 0.00 H new ATOM 313 N ASP A 22 -0.751 -11.475 -13.792 1.00 0.00 N ATOM 314 CA ASP A 22 0.156 -11.353 -14.939 1.00 0.00 C ATOM 315 C ASP A 22 1.615 -11.144 -14.470 1.00 0.00 C ATOM 316 O ASP A 22 1.965 -10.083 -13.951 1.00 0.00 O ATOM 317 CB ASP A 22 -0.292 -10.187 -15.835 1.00 0.00 C ATOM 318 CG ASP A 22 0.351 -10.229 -17.213 1.00 0.00 C ATOM 319 OD1 ASP A 22 1.589 -10.362 -17.298 1.00 0.00 O ATOM 320 OD2 ASP A 22 -0.379 -10.136 -18.223 1.00 0.00 O ATOM 0 H ASP A 22 -0.680 -10.711 -13.120 1.00 0.00 H new ATOM 0 HA ASP A 22 0.117 -12.279 -15.513 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -1.376 -10.212 -15.943 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -0.042 -9.244 -15.350 1.00 0.00 H new ATOM 325 N PRO A 23 2.489 -12.154 -14.657 1.00 0.00 N ATOM 326 CA PRO A 23 3.901 -12.082 -14.227 1.00 0.00 C ATOM 327 C PRO A 23 4.785 -11.221 -15.150 1.00 0.00 C ATOM 328 O PRO A 23 5.958 -10.980 -14.852 1.00 0.00 O ATOM 329 CB PRO A 23 4.338 -13.549 -14.272 1.00 0.00 C ATOM 330 CG PRO A 23 3.510 -14.145 -15.360 1.00 0.00 C ATOM 331 CD PRO A 23 2.173 -13.452 -15.288 1.00 0.00 C ATOM 0 HA PRO A 23 4.003 -11.607 -13.251 1.00 0.00 H new ATOM 0 HB2 PRO A 23 5.403 -13.641 -14.486 1.00 0.00 H new ATOM 0 HB3 PRO A 23 4.161 -14.047 -13.319 1.00 0.00 H new ATOM 0 HG2 PRO A 23 3.977 -13.994 -16.333 1.00 0.00 H new ATOM 0 HG3 PRO A 23 3.400 -15.221 -15.223 1.00 0.00 H new ATOM 0 HD2 PRO A 23 1.735 -13.321 -16.278 1.00 0.00 H new ATOM 0 HD3 PRO A 23 1.457 -14.022 -14.696 1.00 0.00 H new ATOM 339 N LYS A 24 4.220 -10.753 -16.265 1.00 0.00 N ATOM 340 CA LYS A 24 4.965 -9.921 -17.223 1.00 0.00 C ATOM 341 C LYS A 24 4.841 -8.431 -16.869 1.00 0.00 C ATOM 342 O LYS A 24 5.549 -7.589 -17.420 1.00 0.00 O ATOM 343 CB LYS A 24 4.456 -10.165 -18.650 1.00 0.00 C ATOM 344 CG LYS A 24 4.411 -11.640 -19.042 1.00 0.00 C ATOM 345 CD LYS A 24 3.895 -11.843 -20.464 1.00 0.00 C ATOM 346 CE LYS A 24 2.533 -11.187 -20.681 1.00 0.00 C ATOM 347 NZ LYS A 24 1.517 -11.649 -19.693 1.00 0.00 N ATOM 0 H LYS A 24 3.252 -10.933 -16.530 1.00 0.00 H new ATOM 0 HA LYS A 24 6.017 -10.202 -17.168 1.00 0.00 H new ATOM 0 HB2 LYS A 24 3.456 -9.742 -18.747 1.00 0.00 H new ATOM 0 HB3 LYS A 24 5.097 -9.631 -19.351 1.00 0.00 H new ATOM 0 HG2 LYS A 24 5.410 -12.068 -18.955 1.00 0.00 H new ATOM 0 HG3 LYS A 24 3.771 -12.180 -18.344 1.00 0.00 H new ATOM 0 HD2 LYS A 24 4.613 -11.429 -21.172 1.00 0.00 H new ATOM 0 HD3 LYS A 24 3.820 -12.910 -20.673 1.00 0.00 H new ATOM 0 HE2 LYS A 24 2.639 -10.104 -20.610 1.00 0.00 H new ATOM 0 HE3 LYS A 24 2.183 -11.408 -21.689 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 0.606 -11.189 -19.891 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 1.407 -12.681 -19.765 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 1.828 -11.400 -18.732 1.00 0.00 H new ATOM 361 N ALA A 25 3.923 -8.115 -15.953 1.00 0.00 N ATOM 362 CA ALA A 25 3.750 -6.740 -15.461 1.00 0.00 C ATOM 363 C ALA A 25 4.981 -6.261 -14.675 1.00 0.00 C ATOM 364 O ALA A 25 5.185 -5.058 -14.500 1.00 0.00 O ATOM 365 CB ALA A 25 2.494 -6.645 -14.598 1.00 0.00 C ATOM 0 H ALA A 25 3.285 -8.792 -15.534 1.00 0.00 H new ATOM 0 HA ALA A 25 3.638 -6.086 -16.326 1.00 0.00 H new ATOM 0 HB1 ALA A 25 2.376 -5.623 -14.239 1.00 0.00 H new ATOM 0 HB2 ALA A 25 1.623 -6.924 -15.191 1.00 0.00 H new ATOM 0 HB3 ALA A 25 2.585 -7.320 -13.747 1.00 0.00 H new ATOM 371 N SER A 26 5.785 -7.219 -14.198 1.00 0.00 N ATOM 372 CA SER A 26 7.036 -6.944 -13.459 1.00 0.00 C ATOM 373 C SER A 26 6.769 -6.428 -12.037 1.00 0.00 C ATOM 374 O SER A 26 7.283 -6.974 -11.059 1.00 0.00 O ATOM 375 CB SER A 26 7.933 -5.942 -14.211 1.00 0.00 C ATOM 376 OG SER A 26 8.316 -6.438 -15.485 1.00 0.00 O ATOM 0 H SER A 26 5.590 -8.214 -14.311 1.00 0.00 H new ATOM 0 HA SER A 26 7.558 -7.898 -13.385 1.00 0.00 H new ATOM 0 HB2 SER A 26 7.403 -4.997 -14.332 1.00 0.00 H new ATOM 0 HB3 SER A 26 8.824 -5.734 -13.618 1.00 0.00 H new ATOM 0 HG SER A 26 8.883 -5.778 -15.936 1.00 0.00 H new ATOM 382 N GLY A 27 5.970 -5.375 -11.932 1.00 0.00 N ATOM 383 CA GLY A 27 5.683 -4.757 -10.641 1.00 0.00 C ATOM 384 C GLY A 27 5.699 -3.235 -10.712 1.00 0.00 C ATOM 385 O GLY A 27 6.312 -2.570 -9.875 1.00 0.00 O ATOM 0 H GLY A 27 5.508 -4.929 -12.725 1.00 0.00 H new ATOM 0 HA2 GLY A 27 4.707 -5.092 -10.289 1.00 0.00 H new ATOM 0 HA3 GLY A 27 6.418 -5.092 -9.909 1.00 0.00 H new ATOM 389 N GLN A 28 5.025 -2.686 -11.720 1.00 0.00 N ATOM 390 CA GLN A 28 4.977 -1.233 -11.930 1.00 0.00 C ATOM 391 C GLN A 28 3.723 -0.613 -11.294 1.00 0.00 C ATOM 392 O GLN A 28 3.766 0.511 -10.784 1.00 0.00 O ATOM 393 CB GLN A 28 5.006 -0.918 -13.436 1.00 0.00 C ATOM 394 CG GLN A 28 5.005 0.576 -13.762 1.00 0.00 C ATOM 395 CD GLN A 28 4.972 0.858 -15.256 1.00 0.00 C ATOM 396 OE1 GLN A 28 4.415 0.092 -16.037 1.00 0.00 O ATOM 397 NE2 GLN A 28 5.572 1.959 -15.666 1.00 0.00 N ATOM 0 H GLN A 28 4.501 -3.225 -12.410 1.00 0.00 H new ATOM 0 HA GLN A 28 5.852 -0.797 -11.447 1.00 0.00 H new ATOM 0 HB2 GLN A 28 5.894 -1.374 -13.874 1.00 0.00 H new ATOM 0 HB3 GLN A 28 4.142 -1.383 -13.910 1.00 0.00 H new ATOM 0 HG2 GLN A 28 4.141 1.045 -13.290 1.00 0.00 H new ATOM 0 HG3 GLN A 28 5.893 1.037 -13.330 1.00 0.00 H new ATOM 0 HE21 GLN A 28 6.026 2.574 -14.991 1.00 0.00 H new ATOM 0 HE22 GLN A 28 5.582 2.195 -16.658 1.00 0.00 H new ATOM 406 N GLU A 29 2.615 -1.354 -11.318 1.00 0.00 N ATOM 407 CA GLU A 29 1.329 -0.843 -10.834 1.00 0.00 C ATOM 408 C GLU A 29 0.598 -1.851 -9.928 1.00 0.00 C ATOM 409 O GLU A 29 1.090 -2.950 -9.664 1.00 0.00 O ATOM 410 CB GLU A 29 0.443 -0.442 -12.031 1.00 0.00 C ATOM 411 CG GLU A 29 0.439 -1.436 -13.201 1.00 0.00 C ATOM 412 CD GLU A 29 -0.114 -2.816 -12.851 1.00 0.00 C ATOM 413 OE1 GLU A 29 -1.355 -2.958 -12.730 1.00 0.00 O ATOM 414 OE2 GLU A 29 0.690 -3.758 -12.698 1.00 0.00 O ATOM 0 H GLU A 29 2.581 -2.312 -11.668 1.00 0.00 H new ATOM 0 HA GLU A 29 1.532 0.036 -10.222 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -0.581 -0.315 -11.679 1.00 0.00 H new ATOM 0 HB3 GLU A 29 0.775 0.528 -12.400 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -0.151 -1.017 -14.016 1.00 0.00 H new ATOM 0 HG3 GLU A 29 1.458 -1.549 -13.570 1.00 0.00 H new ATOM 421 N MET A 30 -0.569 -1.444 -9.433 1.00 0.00 N ATOM 422 CA MET A 30 -1.415 -2.311 -8.608 1.00 0.00 C ATOM 423 C MET A 30 -2.878 -1.836 -8.646 1.00 0.00 C ATOM 424 O MET A 30 -3.151 -0.641 -8.513 1.00 0.00 O ATOM 425 CB MET A 30 -0.902 -2.331 -7.161 1.00 0.00 C ATOM 426 CG MET A 30 -1.689 -3.260 -6.248 1.00 0.00 C ATOM 427 SD MET A 30 -1.016 -3.343 -4.577 1.00 0.00 S ATOM 428 CE MET A 30 0.594 -4.062 -4.890 1.00 0.00 C ATOM 0 H MET A 30 -0.954 -0.513 -9.589 1.00 0.00 H new ATOM 0 HA MET A 30 -1.370 -3.322 -9.012 1.00 0.00 H new ATOM 0 HB2 MET A 30 0.145 -2.635 -7.160 1.00 0.00 H new ATOM 0 HB3 MET A 30 -0.941 -1.319 -6.757 1.00 0.00 H new ATOM 0 HG2 MET A 30 -2.724 -2.922 -6.200 1.00 0.00 H new ATOM 0 HG3 MET A 30 -1.700 -4.261 -6.679 1.00 0.00 H new ATOM 0 HE1 MET A 30 1.117 -4.208 -3.945 1.00 0.00 H new ATOM 0 HE2 MET A 30 0.472 -5.023 -5.390 1.00 0.00 H new ATOM 0 HE3 MET A 30 1.174 -3.393 -5.526 1.00 0.00 H new ATOM 438 N ASN A 31 -3.817 -2.771 -8.836 1.00 0.00 N ATOM 439 CA ASN A 31 -5.244 -2.428 -8.919 1.00 0.00 C ATOM 440 C ASN A 31 -5.908 -2.370 -7.532 1.00 0.00 C ATOM 441 O ASN A 31 -5.343 -2.829 -6.535 1.00 0.00 O ATOM 442 CB ASN A 31 -5.990 -3.427 -9.814 1.00 0.00 C ATOM 443 CG ASN A 31 -6.011 -4.827 -9.232 1.00 0.00 C ATOM 444 OD1 ASN A 31 -6.887 -5.168 -8.448 1.00 0.00 O ATOM 445 ND2 ASN A 31 -5.054 -5.650 -9.608 1.00 0.00 N ATOM 0 H ASN A 31 -3.617 -3.766 -8.935 1.00 0.00 H new ATOM 0 HA ASN A 31 -5.307 -1.433 -9.359 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -7.014 -3.083 -9.961 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -5.518 -3.453 -10.796 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -5.028 -6.603 -9.244 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -4.339 -5.335 -10.263 1.00 0.00 H new ATOM 452 N GLY A 32 -7.126 -1.822 -7.494 1.00 0.00 N ATOM 453 CA GLY A 32 -7.846 -1.625 -6.237 1.00 0.00 C ATOM 454 C GLY A 32 -8.079 -2.903 -5.436 1.00 0.00 C ATOM 455 O GLY A 32 -8.084 -2.873 -4.203 1.00 0.00 O ATOM 0 H GLY A 32 -7.633 -1.507 -8.321 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -7.288 -0.921 -5.620 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -8.810 -1.165 -6.453 1.00 0.00 H new ATOM 459 N LYS A 33 -8.267 -4.024 -6.128 1.00 0.00 N ATOM 460 CA LYS A 33 -8.532 -5.308 -5.465 1.00 0.00 C ATOM 461 C LYS A 33 -7.288 -5.808 -4.719 1.00 0.00 C ATOM 462 O LYS A 33 -7.333 -6.102 -3.523 1.00 0.00 O ATOM 463 CB LYS A 33 -8.986 -6.356 -6.494 1.00 0.00 C ATOM 464 CG LYS A 33 -9.221 -7.744 -5.901 1.00 0.00 C ATOM 465 CD LYS A 33 -9.635 -8.766 -6.961 1.00 0.00 C ATOM 466 CE LYS A 33 -10.940 -8.387 -7.657 1.00 0.00 C ATOM 467 NZ LYS A 33 -11.355 -9.414 -8.649 1.00 0.00 N ATOM 0 H LYS A 33 -8.242 -4.074 -7.146 1.00 0.00 H new ATOM 0 HA LYS A 33 -9.329 -5.155 -4.738 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -9.907 -6.013 -6.966 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -8.234 -6.430 -7.279 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -8.311 -8.084 -5.407 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -9.995 -7.683 -5.136 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -8.843 -8.856 -7.704 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -9.746 -9.745 -6.494 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -11.726 -8.262 -6.912 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -10.819 -7.426 -8.157 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -12.245 -9.121 -9.100 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -10.616 -9.515 -9.374 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -11.495 -10.325 -8.168 1.00 0.00 H new ATOM 481 N ASN A 34 -6.180 -5.898 -5.443 1.00 0.00 N ATOM 482 CA ASN A 34 -4.905 -6.344 -4.875 1.00 0.00 C ATOM 483 C ASN A 34 -4.439 -5.414 -3.740 1.00 0.00 C ATOM 484 O ASN A 34 -3.931 -5.876 -2.719 1.00 0.00 O ATOM 485 CB ASN A 34 -3.852 -6.410 -5.983 1.00 0.00 C ATOM 486 CG ASN A 34 -4.289 -7.304 -7.134 1.00 0.00 C ATOM 487 OD1 ASN A 34 -5.468 -7.568 -7.323 1.00 0.00 O ATOM 488 ND2 ASN A 34 -3.352 -7.742 -7.945 1.00 0.00 N ATOM 0 H ASN A 34 -6.135 -5.666 -6.435 1.00 0.00 H new ATOM 0 HA ASN A 34 -5.044 -7.336 -4.445 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -3.658 -5.405 -6.358 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -2.915 -6.783 -5.570 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -3.602 -8.314 -8.751 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -2.375 -7.509 -7.768 1.00 0.00 H new ATOM 495 N TRP A 35 -4.621 -4.106 -3.928 1.00 0.00 N ATOM 496 CA TRP A 35 -4.313 -3.109 -2.887 1.00 0.00 C ATOM 497 C TRP A 35 -5.204 -3.297 -1.644 1.00 0.00 C ATOM 498 O TRP A 35 -4.732 -3.216 -0.504 1.00 0.00 O ATOM 499 CB TRP A 35 -4.483 -1.693 -3.470 1.00 0.00 C ATOM 500 CG TRP A 35 -4.632 -0.597 -2.444 1.00 0.00 C ATOM 501 CD1 TRP A 35 -5.763 0.125 -2.184 1.00 0.00 C ATOM 502 CD2 TRP A 35 -3.625 -0.099 -1.549 1.00 0.00 C ATOM 503 NE1 TRP A 35 -5.522 1.044 -1.193 1.00 0.00 N ATOM 504 CE2 TRP A 35 -4.219 0.925 -0.783 1.00 0.00 C ATOM 505 CE3 TRP A 35 -2.282 -0.414 -1.321 1.00 0.00 C ATOM 506 CZ2 TRP A 35 -3.518 1.630 0.192 1.00 0.00 C ATOM 507 CZ3 TRP A 35 -1.588 0.287 -0.352 1.00 0.00 C ATOM 508 CH2 TRP A 35 -2.206 1.298 0.394 1.00 0.00 C ATOM 0 H TRP A 35 -4.982 -3.705 -4.794 1.00 0.00 H new ATOM 0 HA TRP A 35 -3.280 -3.248 -2.567 1.00 0.00 H new ATOM 0 HB2 TRP A 35 -3.621 -1.468 -4.098 1.00 0.00 H new ATOM 0 HB3 TRP A 35 -5.359 -1.686 -4.118 1.00 0.00 H new ATOM 0 HD1 TRP A 35 -6.710 -0.008 -2.686 1.00 0.00 H new ATOM 0 HE1 TRP A 35 -6.202 1.708 -0.822 1.00 0.00 H new ATOM 0 HE3 TRP A 35 -1.795 -1.191 -1.892 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 -3.993 2.411 0.768 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 -0.551 0.050 -0.167 1.00 0.00 H new ATOM 0 HH2 TRP A 35 -1.636 1.826 1.144 1.00 0.00 H new ATOM 519 N ALA A 36 -6.492 -3.544 -1.872 1.00 0.00 N ATOM 520 CA ALA A 36 -7.433 -3.809 -0.780 1.00 0.00 C ATOM 521 C ALA A 36 -7.028 -5.064 0.010 1.00 0.00 C ATOM 522 O ALA A 36 -7.041 -5.070 1.248 1.00 0.00 O ATOM 523 CB ALA A 36 -8.847 -3.960 -1.328 1.00 0.00 C ATOM 0 H ALA A 36 -6.910 -3.567 -2.802 1.00 0.00 H new ATOM 0 HA ALA A 36 -7.407 -2.960 -0.097 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -9.536 -4.157 -0.507 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -9.140 -3.041 -1.836 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -8.877 -4.790 -2.034 1.00 0.00 H new ATOM 529 N LYS A 37 -6.663 -6.127 -0.712 1.00 0.00 N ATOM 530 CA LYS A 37 -6.208 -7.369 -0.083 1.00 0.00 C ATOM 531 C LYS A 37 -4.872 -7.153 0.648 1.00 0.00 C ATOM 532 O LYS A 37 -4.666 -7.670 1.739 1.00 0.00 O ATOM 533 CB LYS A 37 -6.052 -8.487 -1.127 1.00 0.00 C ATOM 534 CG LYS A 37 -5.932 -9.877 -0.507 1.00 0.00 C ATOM 535 CD LYS A 37 -5.540 -10.941 -1.527 1.00 0.00 C ATOM 536 CE LYS A 37 -5.655 -12.345 -0.941 1.00 0.00 C ATOM 537 NZ LYS A 37 -4.962 -12.473 0.371 1.00 0.00 N ATOM 0 H LYS A 37 -6.674 -6.152 -1.732 1.00 0.00 H new ATOM 0 HA LYS A 37 -6.964 -7.669 0.643 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -6.909 -8.469 -1.800 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -5.168 -8.289 -1.733 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -5.190 -9.852 0.291 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -6.883 -10.150 -0.049 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -6.180 -10.858 -2.405 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -4.517 -10.767 -1.861 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -6.708 -12.599 -0.819 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -5.233 -13.064 -1.643 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -4.967 -13.469 0.670 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -3.980 -12.144 0.278 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -5.455 -11.896 1.082 1.00 0.00 H new ATOM 551 N LEU A 38 -3.982 -6.367 0.041 1.00 0.00 N ATOM 552 CA LEU A 38 -2.675 -6.048 0.635 1.00 0.00 C ATOM 553 C LEU A 38 -2.841 -5.528 2.072 1.00 0.00 C ATOM 554 O LEU A 38 -2.151 -5.973 2.995 1.00 0.00 O ATOM 555 CB LEU A 38 -1.949 -5.012 -0.250 1.00 0.00 C ATOM 556 CG LEU A 38 -0.456 -4.763 0.059 1.00 0.00 C ATOM 557 CD1 LEU A 38 0.242 -4.138 -1.145 1.00 0.00 C ATOM 558 CD2 LEU A 38 -0.275 -3.866 1.287 1.00 0.00 C ATOM 0 H LEU A 38 -4.141 -5.935 -0.869 1.00 0.00 H new ATOM 0 HA LEU A 38 -2.072 -6.955 0.683 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -2.033 -5.333 -1.288 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -2.477 -4.062 -0.166 1.00 0.00 H new ATOM 0 HG LEU A 38 -0.003 -5.730 0.276 1.00 0.00 H new ATOM 0 HD11 LEU A 38 1.293 -3.970 -0.909 1.00 0.00 H new ATOM 0 HD12 LEU A 38 0.165 -4.810 -2.000 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -0.232 -3.187 -1.387 1.00 0.00 H new ATOM 0 HD21 LEU A 38 0.788 -3.714 1.473 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -0.754 -2.903 1.108 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -0.731 -4.342 2.155 1.00 0.00 H new ATOM 570 N CYS A 39 -3.766 -4.591 2.250 1.00 0.00 N ATOM 571 CA CYS A 39 -4.087 -4.057 3.578 1.00 0.00 C ATOM 572 C CYS A 39 -4.662 -5.148 4.495 1.00 0.00 C ATOM 573 O CYS A 39 -4.320 -5.225 5.677 1.00 0.00 O ATOM 574 CB CYS A 39 -5.088 -2.901 3.457 1.00 0.00 C ATOM 575 SG CYS A 39 -4.491 -1.502 2.481 1.00 0.00 S ATOM 0 H CYS A 39 -4.311 -4.181 1.491 1.00 0.00 H new ATOM 0 HA CYS A 39 -3.162 -3.690 4.022 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -6.007 -3.277 3.008 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -5.342 -2.550 4.457 1.00 0.00 H new ATOM 0 HG CYS A 39 -4.475 -1.826 1.222 1.00 0.00 H new ATOM 581 N LYS A 40 -5.531 -5.992 3.938 1.00 0.00 N ATOM 582 CA LYS A 40 -6.165 -7.080 4.698 1.00 0.00 C ATOM 583 C LYS A 40 -5.127 -8.097 5.218 1.00 0.00 C ATOM 584 O LYS A 40 -5.036 -8.341 6.423 1.00 0.00 O ATOM 585 CB LYS A 40 -7.203 -7.790 3.818 1.00 0.00 C ATOM 586 CG LYS A 40 -7.974 -8.899 4.533 1.00 0.00 C ATOM 587 CD LYS A 40 -8.959 -9.604 3.601 1.00 0.00 C ATOM 588 CE LYS A 40 -10.018 -8.651 3.053 1.00 0.00 C ATOM 589 NZ LYS A 40 -10.842 -8.039 4.134 1.00 0.00 N ATOM 0 H LYS A 40 -5.816 -5.946 2.960 1.00 0.00 H new ATOM 0 HA LYS A 40 -6.657 -6.640 5.565 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -7.913 -7.052 3.444 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -6.698 -8.215 2.950 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -7.271 -9.628 4.936 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -8.515 -8.477 5.380 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -8.413 -10.054 2.771 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -9.447 -10.417 4.139 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -9.532 -7.862 2.479 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -10.668 -9.191 2.365 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -11.640 -7.522 3.712 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -11.205 -8.787 4.759 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -10.256 -7.380 4.686 1.00 0.00 H new ATOM 603 N ASP A 41 -4.350 -8.681 4.303 1.00 0.00 N ATOM 604 CA ASP A 41 -3.290 -9.639 4.654 1.00 0.00 C ATOM 605 C ASP A 41 -2.318 -9.059 5.697 1.00 0.00 C ATOM 606 O ASP A 41 -1.878 -9.759 6.611 1.00 0.00 O ATOM 607 CB ASP A 41 -2.516 -10.055 3.390 1.00 0.00 C ATOM 608 CG ASP A 41 -3.371 -10.834 2.399 1.00 0.00 C ATOM 609 OD1 ASP A 41 -4.584 -10.550 2.288 1.00 0.00 O ATOM 610 OD2 ASP A 41 -2.833 -11.729 1.710 1.00 0.00 O ATOM 0 H ASP A 41 -4.434 -8.507 3.302 1.00 0.00 H new ATOM 0 HA ASP A 41 -3.768 -10.514 5.095 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -2.124 -9.163 2.901 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -1.659 -10.663 3.679 1.00 0.00 H new ATOM 615 N CYS A 42 -1.992 -7.776 5.556 1.00 0.00 N ATOM 616 CA CYS A 42 -1.073 -7.101 6.485 1.00 0.00 C ATOM 617 C CYS A 42 -1.818 -6.426 7.648 1.00 0.00 C ATOM 618 O CYS A 42 -1.195 -5.824 8.523 1.00 0.00 O ATOM 619 CB CYS A 42 -0.242 -6.060 5.732 1.00 0.00 C ATOM 620 SG CYS A 42 0.637 -6.724 4.297 1.00 0.00 S ATOM 0 H CYS A 42 -2.348 -7.179 4.810 1.00 0.00 H new ATOM 0 HA CYS A 42 -0.419 -7.863 6.909 1.00 0.00 H new ATOM 0 HB2 CYS A 42 -0.898 -5.254 5.403 1.00 0.00 H new ATOM 0 HB3 CYS A 42 0.482 -5.621 6.419 1.00 0.00 H new ATOM 0 HG CYS A 42 -0.137 -6.676 3.254 1.00 0.00 H new ATOM 626 N LYS A 43 -3.150 -6.530 7.645 1.00 0.00 N ATOM 627 CA LYS A 43 -4.004 -5.957 8.685 1.00 0.00 C ATOM 628 C LYS A 43 -3.692 -4.475 8.974 1.00 0.00 C ATOM 629 O LYS A 43 -3.854 -3.996 10.101 1.00 0.00 O ATOM 630 CB LYS A 43 -3.903 -6.813 9.946 1.00 0.00 C ATOM 631 CG LYS A 43 -4.189 -8.287 9.675 1.00 0.00 C ATOM 632 CD LYS A 43 -4.363 -9.084 10.955 1.00 0.00 C ATOM 633 CE LYS A 43 -3.050 -9.310 11.709 1.00 0.00 C ATOM 634 NZ LYS A 43 -2.484 -8.061 12.287 1.00 0.00 N ATOM 0 H LYS A 43 -3.668 -7.018 6.915 1.00 0.00 H new ATOM 0 HA LYS A 43 -5.031 -5.968 8.321 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -2.904 -6.712 10.371 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -4.606 -6.441 10.691 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -5.091 -8.375 9.069 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -3.372 -8.713 9.093 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -5.064 -8.563 11.607 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -4.808 -10.050 10.716 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -3.218 -10.030 12.510 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -2.320 -9.752 11.031 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -2.081 -8.264 13.224 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -1.738 -7.696 11.661 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -3.237 -7.349 12.380 1.00 0.00 H new ATOM 648 N VAL A 44 -3.257 -3.750 7.944 1.00 0.00 N ATOM 649 CA VAL A 44 -3.093 -2.297 8.040 1.00 0.00 C ATOM 650 C VAL A 44 -4.471 -1.630 8.154 1.00 0.00 C ATOM 651 O VAL A 44 -4.655 -0.662 8.899 1.00 0.00 O ATOM 652 CB VAL A 44 -2.334 -1.730 6.814 1.00 0.00 C ATOM 653 CG1 VAL A 44 -2.136 -0.221 6.950 1.00 0.00 C ATOM 654 CG2 VAL A 44 -0.992 -2.439 6.634 1.00 0.00 C ATOM 0 H VAL A 44 -3.012 -4.142 7.035 1.00 0.00 H new ATOM 0 HA VAL A 44 -2.502 -2.080 8.930 1.00 0.00 H new ATOM 0 HB VAL A 44 -2.938 -1.914 5.925 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -1.601 0.156 6.078 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -3.107 0.269 7.019 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -1.558 -0.009 7.850 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -0.475 -2.026 5.768 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -0.381 -2.293 7.525 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -1.161 -3.505 6.481 1.00 0.00 H new ATOM 664 N ALA A 45 -5.438 -2.175 7.417 1.00 0.00 N ATOM 665 CA ALA A 45 -6.839 -1.778 7.556 1.00 0.00 C ATOM 666 C ALA A 45 -7.447 -2.426 8.807 1.00 0.00 C ATOM 667 O ALA A 45 -8.135 -3.446 8.731 1.00 0.00 O ATOM 668 CB ALA A 45 -7.632 -2.155 6.307 1.00 0.00 C ATOM 0 H ALA A 45 -5.276 -2.896 6.714 1.00 0.00 H new ATOM 0 HA ALA A 45 -6.888 -0.695 7.669 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -8.671 -1.851 6.431 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -7.207 -1.650 5.440 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -7.585 -3.234 6.158 1.00 0.00 H new ATOM 674 N ASP A 46 -7.158 -1.830 9.958 1.00 0.00 N ATOM 675 CA ASP A 46 -7.541 -2.391 11.257 1.00 0.00 C ATOM 676 C ASP A 46 -9.032 -2.185 11.583 1.00 0.00 C ATOM 677 O ASP A 46 -9.562 -2.799 12.514 1.00 0.00 O ATOM 678 CB ASP A 46 -6.664 -1.776 12.358 1.00 0.00 C ATOM 679 CG ASP A 46 -6.590 -0.255 12.286 1.00 0.00 C ATOM 680 OD1 ASP A 46 -7.510 0.375 11.726 1.00 0.00 O ATOM 681 OD2 ASP A 46 -5.617 0.316 12.813 1.00 0.00 O ATOM 0 H ASP A 46 -6.653 -0.946 10.022 1.00 0.00 H new ATOM 0 HA ASP A 46 -7.381 -3.468 11.207 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -7.056 -2.069 13.332 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -5.657 -2.186 12.283 1.00 0.00 H new ATOM 686 N GLY A 47 -9.695 -1.308 10.837 1.00 0.00 N ATOM 687 CA GLY A 47 -11.113 -1.044 11.062 1.00 0.00 C ATOM 688 C GLY A 47 -11.365 0.063 12.084 1.00 0.00 C ATOM 689 O GLY A 47 -12.397 0.739 12.038 1.00 0.00 O ATOM 0 H GLY A 47 -9.278 -0.771 10.077 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -11.579 -0.769 10.116 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -11.597 -1.960 11.401 1.00 0.00 H new ATOM 693 N LYS A 48 -10.429 0.248 13.015 1.00 0.00 N ATOM 694 CA LYS A 48 -10.550 1.291 14.045 1.00 0.00 C ATOM 695 C LYS A 48 -10.036 2.649 13.534 1.00 0.00 C ATOM 696 O LYS A 48 -10.602 3.699 13.845 1.00 0.00 O ATOM 697 CB LYS A 48 -9.796 0.873 15.321 1.00 0.00 C ATOM 698 CG LYS A 48 -8.367 0.393 15.073 1.00 0.00 C ATOM 699 CD LYS A 48 -7.691 -0.080 16.357 1.00 0.00 C ATOM 700 CE LYS A 48 -6.329 -0.722 16.090 1.00 0.00 C ATOM 701 NZ LYS A 48 -5.372 0.225 15.457 1.00 0.00 N ATOM 0 H LYS A 48 -9.577 -0.309 13.081 1.00 0.00 H new ATOM 0 HA LYS A 48 -11.608 1.406 14.283 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -9.769 1.719 16.008 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -10.354 0.078 15.816 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -8.379 -0.421 14.349 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -7.784 1.202 14.633 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -7.566 0.766 17.033 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -8.337 -0.798 16.862 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -5.910 -1.084 17.029 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -6.459 -1.590 15.443 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -4.434 0.114 15.893 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -5.307 0.024 14.439 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -5.705 1.200 15.596 1.00 0.00 H new ATOM 715 N SER A 49 -8.963 2.617 12.750 1.00 0.00 N ATOM 716 CA SER A 49 -8.406 3.826 12.127 1.00 0.00 C ATOM 717 C SER A 49 -8.588 3.780 10.606 1.00 0.00 C ATOM 718 O SER A 49 -9.107 4.721 9.996 1.00 0.00 O ATOM 719 CB SER A 49 -6.915 3.972 12.464 1.00 0.00 C ATOM 720 OG SER A 49 -6.327 5.047 11.745 1.00 0.00 O ATOM 0 H SER A 49 -8.454 1.762 12.526 1.00 0.00 H new ATOM 0 HA SER A 49 -8.944 4.687 12.524 1.00 0.00 H new ATOM 0 HB2 SER A 49 -6.796 4.140 13.535 1.00 0.00 H new ATOM 0 HB3 SER A 49 -6.394 3.045 12.227 1.00 0.00 H new ATOM 0 HG SER A 49 -5.677 5.506 12.317 1.00 0.00 H new ATOM 726 N VAL A 50 -8.170 2.671 10.002 1.00 0.00 N ATOM 727 CA VAL A 50 -8.282 2.481 8.554 1.00 0.00 C ATOM 728 C VAL A 50 -9.287 1.367 8.219 1.00 0.00 C ATOM 729 O VAL A 50 -9.042 0.192 8.491 1.00 0.00 O ATOM 730 CB VAL A 50 -6.906 2.137 7.928 1.00 0.00 C ATOM 731 CG1 VAL A 50 -6.996 2.081 6.404 1.00 0.00 C ATOM 732 CG2 VAL A 50 -5.840 3.138 8.374 1.00 0.00 C ATOM 0 H VAL A 50 -7.748 1.884 10.495 1.00 0.00 H new ATOM 0 HA VAL A 50 -8.639 3.421 8.132 1.00 0.00 H new ATOM 0 HB VAL A 50 -6.613 1.149 8.283 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -6.017 1.838 5.990 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -7.714 1.316 6.110 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -7.321 3.049 6.023 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -4.883 2.876 7.922 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -6.128 4.141 8.059 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -5.748 3.112 9.460 1.00 0.00 H new ATOM 742 N THR A 51 -10.426 1.748 7.649 1.00 0.00 N ATOM 743 CA THR A 51 -11.468 0.787 7.257 1.00 0.00 C ATOM 744 C THR A 51 -11.376 0.434 5.770 1.00 0.00 C ATOM 745 O THR A 51 -10.689 1.109 5.004 1.00 0.00 O ATOM 746 CB THR A 51 -12.891 1.334 7.538 1.00 0.00 C ATOM 747 OG1 THR A 51 -13.117 2.537 6.786 1.00 0.00 O ATOM 748 CG2 THR A 51 -13.094 1.616 9.025 1.00 0.00 C ATOM 0 H THR A 51 -10.658 2.720 7.445 1.00 0.00 H new ATOM 0 HA THR A 51 -11.296 -0.105 7.859 1.00 0.00 H new ATOM 0 HB THR A 51 -13.607 0.571 7.231 1.00 0.00 H new ATOM 0 HG1 THR A 51 -14.019 2.873 6.970 1.00 0.00 H new ATOM 0 HG21 THR A 51 -14.102 1.998 9.189 1.00 0.00 H new ATOM 0 HG22 THR A 51 -12.959 0.695 9.592 1.00 0.00 H new ATOM 0 HG23 THR A 51 -12.367 2.356 9.358 1.00 0.00 H new ATOM 756 N GLY A 52 -12.085 -0.622 5.367 1.00 0.00 N ATOM 757 CA GLY A 52 -12.100 -1.038 3.968 1.00 0.00 C ATOM 758 C GLY A 52 -12.398 0.110 3.005 1.00 0.00 C ATOM 759 O GLY A 52 -11.610 0.386 2.095 1.00 0.00 O ATOM 0 H GLY A 52 -12.652 -1.200 5.987 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -11.134 -1.475 3.715 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -12.848 -1.819 3.835 1.00 0.00 H new ATOM 763 N THR A 53 -13.524 0.791 3.219 1.00 0.00 N ATOM 764 CA THR A 53 -13.906 1.944 2.389 1.00 0.00 C ATOM 765 C THR A 53 -12.781 2.984 2.320 1.00 0.00 C ATOM 766 O THR A 53 -12.408 3.431 1.238 1.00 0.00 O ATOM 767 CB THR A 53 -15.190 2.634 2.919 1.00 0.00 C ATOM 768 OG1 THR A 53 -16.301 1.721 2.879 1.00 0.00 O ATOM 769 CG2 THR A 53 -15.528 3.885 2.111 1.00 0.00 C ATOM 0 H THR A 53 -14.190 0.568 3.959 1.00 0.00 H new ATOM 0 HA THR A 53 -14.098 1.551 1.391 1.00 0.00 H new ATOM 0 HB THR A 53 -15.000 2.933 3.950 1.00 0.00 H new ATOM 0 HG1 THR A 53 -17.104 2.168 3.218 1.00 0.00 H new ATOM 0 HG21 THR A 53 -16.433 4.342 2.510 1.00 0.00 H new ATOM 0 HG22 THR A 53 -14.703 4.595 2.177 1.00 0.00 H new ATOM 0 HG23 THR A 53 -15.689 3.612 1.068 1.00 0.00 H new ATOM 777 N ASP A 54 -12.226 3.346 3.479 1.00 0.00 N ATOM 778 CA ASP A 54 -11.162 4.357 3.550 1.00 0.00 C ATOM 779 C ASP A 54 -9.945 3.936 2.697 1.00 0.00 C ATOM 780 O ASP A 54 -9.311 4.772 2.047 1.00 0.00 O ATOM 781 CB ASP A 54 -10.755 4.582 5.016 1.00 0.00 C ATOM 782 CG ASP A 54 -9.959 5.865 5.219 1.00 0.00 C ATOM 783 OD1 ASP A 54 -10.536 6.963 5.045 1.00 0.00 O ATOM 784 OD2 ASP A 54 -8.763 5.792 5.567 1.00 0.00 O ATOM 0 H ASP A 54 -12.494 2.956 4.382 1.00 0.00 H new ATOM 0 HA ASP A 54 -11.540 5.295 3.144 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -11.651 4.614 5.636 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -10.161 3.734 5.357 1.00 0.00 H new ATOM 789 N VAL A 55 -9.649 2.630 2.685 1.00 0.00 N ATOM 790 CA VAL A 55 -8.578 2.076 1.843 1.00 0.00 C ATOM 791 C VAL A 55 -8.865 2.304 0.348 1.00 0.00 C ATOM 792 O VAL A 55 -7.953 2.603 -0.433 1.00 0.00 O ATOM 793 CB VAL A 55 -8.378 0.556 2.101 1.00 0.00 C ATOM 794 CG1 VAL A 55 -7.301 -0.027 1.185 1.00 0.00 C ATOM 795 CG2 VAL A 55 -8.034 0.299 3.566 1.00 0.00 C ATOM 0 H VAL A 55 -10.137 1.935 3.250 1.00 0.00 H new ATOM 0 HA VAL A 55 -7.663 2.603 2.114 1.00 0.00 H new ATOM 0 HB VAL A 55 -9.318 0.054 1.872 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -7.186 -1.091 1.391 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -7.594 0.112 0.144 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -6.354 0.482 1.366 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -7.898 -0.771 3.726 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -7.113 0.824 3.821 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -8.845 0.660 4.199 1.00 0.00 H new ATOM 805 N ASP A 56 -10.140 2.187 -0.045 1.00 0.00 N ATOM 806 CA ASP A 56 -10.531 2.388 -1.447 1.00 0.00 C ATOM 807 C ASP A 56 -10.482 3.879 -1.800 1.00 0.00 C ATOM 808 O ASP A 56 -10.138 4.263 -2.920 1.00 0.00 O ATOM 809 CB ASP A 56 -11.938 1.828 -1.708 1.00 0.00 C ATOM 810 CG ASP A 56 -11.992 0.310 -1.631 1.00 0.00 C ATOM 811 OD1 ASP A 56 -11.663 -0.355 -2.637 1.00 0.00 O ATOM 812 OD2 ASP A 56 -12.373 -0.229 -0.572 1.00 0.00 O ATOM 0 H ASP A 56 -10.912 1.957 0.581 1.00 0.00 H new ATOM 0 HA ASP A 56 -9.826 1.850 -2.080 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -12.632 2.249 -0.981 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -12.275 2.149 -2.694 1.00 0.00 H new ATOM 817 N ILE A 57 -10.825 4.709 -0.822 1.00 0.00 N ATOM 818 CA ILE A 57 -10.760 6.164 -0.959 1.00 0.00 C ATOM 819 C ILE A 57 -9.327 6.625 -1.249 1.00 0.00 C ATOM 820 O ILE A 57 -9.078 7.349 -2.213 1.00 0.00 O ATOM 821 CB ILE A 57 -11.267 6.851 0.330 1.00 0.00 C ATOM 822 CG1 ILE A 57 -12.680 6.341 0.673 1.00 0.00 C ATOM 823 CG2 ILE A 57 -11.248 8.377 0.175 1.00 0.00 C ATOM 824 CD1 ILE A 57 -13.794 6.983 -0.133 1.00 0.00 C ATOM 0 H ILE A 57 -11.157 4.395 0.090 1.00 0.00 H new ATOM 0 HA ILE A 57 -11.398 6.447 -1.796 1.00 0.00 H new ATOM 0 HB ILE A 57 -10.600 6.597 1.154 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -12.711 5.263 0.517 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -12.868 6.515 1.732 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -11.609 8.841 1.093 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -10.229 8.710 -0.024 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -11.893 8.666 -0.655 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -14.753 6.565 0.174 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -13.795 8.059 0.041 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -13.635 6.787 -1.193 1.00 0.00 H new ATOM 836 N VAL A 58 -8.386 6.195 -0.406 1.00 0.00 N ATOM 837 CA VAL A 58 -6.966 6.514 -0.598 1.00 0.00 C ATOM 838 C VAL A 58 -6.502 6.142 -2.013 1.00 0.00 C ATOM 839 O VAL A 58 -5.889 6.950 -2.714 1.00 0.00 O ATOM 840 CB VAL A 58 -6.078 5.783 0.441 1.00 0.00 C ATOM 841 CG1 VAL A 58 -4.597 6.098 0.213 1.00 0.00 C ATOM 842 CG2 VAL A 58 -6.502 6.153 1.863 1.00 0.00 C ATOM 0 H VAL A 58 -8.580 5.625 0.417 1.00 0.00 H new ATOM 0 HA VAL A 58 -6.860 7.590 -0.458 1.00 0.00 H new ATOM 0 HB VAL A 58 -6.215 4.709 0.312 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -3.995 5.573 0.955 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -4.306 5.774 -0.786 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -4.435 7.172 0.308 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -5.868 5.631 2.579 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -6.400 7.229 2.005 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -7.541 5.864 2.020 1.00 0.00 H new ATOM 852 N PHE A 59 -6.834 4.923 -2.430 1.00 0.00 N ATOM 853 CA PHE A 59 -6.500 4.435 -3.772 1.00 0.00 C ATOM 854 C PHE A 59 -7.139 5.322 -4.857 1.00 0.00 C ATOM 855 O PHE A 59 -6.512 5.641 -5.869 1.00 0.00 O ATOM 856 CB PHE A 59 -6.975 2.982 -3.924 1.00 0.00 C ATOM 857 CG PHE A 59 -6.558 2.326 -5.219 1.00 0.00 C ATOM 858 CD1 PHE A 59 -5.316 1.720 -5.336 1.00 0.00 C ATOM 859 CD2 PHE A 59 -7.406 2.317 -6.319 1.00 0.00 C ATOM 860 CE1 PHE A 59 -4.929 1.121 -6.519 1.00 0.00 C ATOM 861 CE2 PHE A 59 -7.020 1.720 -7.503 1.00 0.00 C ATOM 862 CZ PHE A 59 -5.782 1.123 -7.603 1.00 0.00 C ATOM 0 H PHE A 59 -7.338 4.248 -1.855 1.00 0.00 H new ATOM 0 HA PHE A 59 -5.418 4.477 -3.899 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -6.586 2.396 -3.091 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -8.062 2.958 -3.851 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -4.643 1.716 -4.491 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -8.378 2.782 -6.248 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -3.959 0.651 -6.595 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -7.689 1.721 -8.351 1.00 0.00 H new ATOM 0 HZ PHE A 59 -5.480 0.657 -8.529 1.00 0.00 H new ATOM 872 N SER A 60 -8.389 5.723 -4.627 1.00 0.00 N ATOM 873 CA SER A 60 -9.129 6.573 -5.575 1.00 0.00 C ATOM 874 C SER A 60 -8.615 8.024 -5.573 1.00 0.00 C ATOM 875 O SER A 60 -8.844 8.769 -6.525 1.00 0.00 O ATOM 876 CB SER A 60 -10.633 6.556 -5.252 1.00 0.00 C ATOM 877 OG SER A 60 -11.392 7.272 -6.223 1.00 0.00 O ATOM 0 H SER A 60 -8.917 5.475 -3.790 1.00 0.00 H new ATOM 0 HA SER A 60 -8.965 6.160 -6.570 1.00 0.00 H new ATOM 0 HB2 SER A 60 -10.983 5.525 -5.206 1.00 0.00 H new ATOM 0 HB3 SER A 60 -10.798 6.993 -4.267 1.00 0.00 H new ATOM 0 HG SER A 60 -12.342 7.238 -5.986 1.00 0.00 H new ATOM 883 N LYS A 61 -7.926 8.422 -4.501 1.00 0.00 N ATOM 884 CA LYS A 61 -7.366 9.778 -4.394 1.00 0.00 C ATOM 885 C LYS A 61 -5.993 9.890 -5.083 1.00 0.00 C ATOM 886 O LYS A 61 -5.794 10.718 -5.977 1.00 0.00 O ATOM 887 CB LYS A 61 -7.223 10.184 -2.918 1.00 0.00 C ATOM 888 CG LYS A 61 -8.549 10.405 -2.192 1.00 0.00 C ATOM 889 CD LYS A 61 -8.334 10.997 -0.797 1.00 0.00 C ATOM 890 CE LYS A 61 -7.496 10.088 0.099 1.00 0.00 C ATOM 891 NZ LYS A 61 -7.287 10.675 1.451 1.00 0.00 N ATOM 0 H LYS A 61 -7.741 7.827 -3.693 1.00 0.00 H new ATOM 0 HA LYS A 61 -8.060 10.450 -4.899 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -6.661 9.411 -2.394 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -6.635 11.100 -2.861 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -9.179 11.074 -2.779 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -9.081 9.457 -2.108 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -7.843 11.966 -0.888 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -9.302 11.174 -0.327 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -7.989 9.121 0.196 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -6.529 9.907 -0.371 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -6.466 10.224 1.902 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -7.116 11.697 1.363 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -8.133 10.515 2.034 1.00 0.00 H new ATOM 905 N VAL A 62 -5.053 9.049 -4.650 1.00 0.00 N ATOM 906 CA VAL A 62 -3.656 9.118 -5.111 1.00 0.00 C ATOM 907 C VAL A 62 -3.497 8.900 -6.630 1.00 0.00 C ATOM 908 O VAL A 62 -2.600 9.473 -7.246 1.00 0.00 O ATOM 909 CB VAL A 62 -2.763 8.094 -4.362 1.00 0.00 C ATOM 910 CG1 VAL A 62 -2.753 8.381 -2.862 1.00 0.00 C ATOM 911 CG2 VAL A 62 -3.222 6.661 -4.637 1.00 0.00 C ATOM 0 H VAL A 62 -5.231 8.305 -3.975 1.00 0.00 H new ATOM 0 HA VAL A 62 -3.333 10.134 -4.885 1.00 0.00 H new ATOM 0 HB VAL A 62 -1.745 8.198 -4.736 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -2.121 7.651 -2.356 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -2.362 9.383 -2.686 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -3.769 8.314 -2.472 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -2.579 5.964 -4.100 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -4.252 6.538 -4.301 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -3.163 6.459 -5.706 1.00 0.00 H new ATOM 921 N LYS A 63 -4.369 8.082 -7.226 1.00 0.00 N ATOM 922 CA LYS A 63 -4.253 7.721 -8.651 1.00 0.00 C ATOM 923 C LYS A 63 -4.239 8.948 -9.582 1.00 0.00 C ATOM 924 O LYS A 63 -3.346 9.102 -10.415 1.00 0.00 O ATOM 925 CB LYS A 63 -5.381 6.757 -9.058 1.00 0.00 C ATOM 926 CG LYS A 63 -6.785 7.245 -8.708 1.00 0.00 C ATOM 927 CD LYS A 63 -7.866 6.332 -9.279 1.00 0.00 C ATOM 928 CE LYS A 63 -7.713 4.888 -8.819 1.00 0.00 C ATOM 929 NZ LYS A 63 -8.714 3.998 -9.463 1.00 0.00 N ATOM 0 H LYS A 63 -5.163 7.655 -6.749 1.00 0.00 H new ATOM 0 HA LYS A 63 -3.290 7.223 -8.768 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -5.326 6.587 -10.133 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -5.213 5.795 -8.574 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -6.891 7.298 -7.624 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -6.924 8.256 -9.092 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -8.846 6.703 -8.980 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -7.830 6.369 -10.368 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -6.708 4.536 -9.053 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -7.824 4.837 -7.736 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -8.954 3.220 -8.816 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -9.572 4.543 -9.682 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -8.317 3.608 -10.342 1.00 0.00 H new ATOM 943 N GLY A 64 -5.226 9.817 -9.436 1.00 0.00 N ATOM 944 CA GLY A 64 -5.318 11.013 -10.271 1.00 0.00 C ATOM 945 C GLY A 64 -5.740 10.746 -11.725 1.00 0.00 C ATOM 946 O GLY A 64 -6.809 11.184 -12.153 1.00 0.00 O ATOM 0 H GLY A 64 -5.975 9.721 -8.750 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -6.032 11.702 -9.820 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -4.350 11.514 -10.273 1.00 0.00 H new ATOM 950 N LYS A 65 -4.904 10.027 -12.488 1.00 0.00 N ATOM 951 CA LYS A 65 -5.124 9.843 -13.940 1.00 0.00 C ATOM 952 C LYS A 65 -6.202 8.775 -14.252 1.00 0.00 C ATOM 953 O LYS A 65 -5.978 7.875 -15.060 1.00 0.00 O ATOM 954 CB LYS A 65 -3.788 9.493 -14.655 1.00 0.00 C ATOM 955 CG LYS A 65 -3.242 8.073 -14.407 1.00 0.00 C ATOM 956 CD LYS A 65 -2.543 7.906 -13.058 1.00 0.00 C ATOM 957 CE LYS A 65 -1.181 8.593 -13.030 1.00 0.00 C ATOM 958 NZ LYS A 65 -0.431 8.292 -11.782 1.00 0.00 N ATOM 0 H LYS A 65 -4.070 9.562 -12.130 1.00 0.00 H new ATOM 0 HA LYS A 65 -5.499 10.792 -14.324 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -3.927 9.625 -15.728 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -3.031 10.212 -14.341 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -4.065 7.362 -14.469 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -2.541 7.820 -15.202 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -3.173 8.318 -12.270 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -2.418 6.845 -12.844 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -0.595 8.272 -13.891 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -1.317 9.671 -13.121 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 0.587 8.245 -11.991 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -0.607 9.041 -11.082 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -0.748 7.379 -11.398 1.00 0.00 H new ATOM 972 N SER A 66 -7.393 8.932 -13.657 1.00 0.00 N ATOM 973 CA SER A 66 -8.482 7.930 -13.746 1.00 0.00 C ATOM 974 C SER A 66 -7.989 6.541 -13.301 1.00 0.00 C ATOM 975 O SER A 66 -8.299 6.105 -12.203 1.00 0.00 O ATOM 976 CB SER A 66 -9.108 7.870 -15.160 1.00 0.00 C ATOM 977 OG SER A 66 -8.195 7.401 -16.143 1.00 0.00 O ATOM 0 H SER A 66 -7.635 9.752 -13.101 1.00 0.00 H new ATOM 0 HA SER A 66 -9.269 8.251 -13.063 1.00 0.00 H new ATOM 0 HB2 SER A 66 -9.981 7.217 -15.139 1.00 0.00 H new ATOM 0 HB3 SER A 66 -9.459 8.863 -15.440 1.00 0.00 H new ATOM 0 HG SER A 66 -7.334 7.856 -16.033 1.00 0.00 H new ATOM 983 N ALA A 67 -7.253 5.860 -14.184 1.00 0.00 N ATOM 984 CA ALA A 67 -6.431 4.676 -13.848 1.00 0.00 C ATOM 985 C ALA A 67 -7.122 3.600 -12.981 1.00 0.00 C ATOM 986 O ALA A 67 -7.471 3.831 -11.823 1.00 0.00 O ATOM 987 CB ALA A 67 -5.145 5.134 -13.166 1.00 0.00 C ATOM 0 H ALA A 67 -7.205 6.114 -15.171 1.00 0.00 H new ATOM 0 HA ALA A 67 -6.236 4.184 -14.801 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -4.536 4.265 -12.917 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -4.588 5.786 -13.839 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -5.391 5.679 -12.254 1.00 0.00 H new ATOM 993 N ARG A 68 -7.262 2.395 -13.534 1.00 0.00 N ATOM 994 CA ARG A 68 -7.695 1.232 -12.746 1.00 0.00 C ATOM 995 C ARG A 68 -6.626 0.854 -11.700 1.00 0.00 C ATOM 996 O ARG A 68 -6.902 0.149 -10.726 1.00 0.00 O ATOM 997 CB ARG A 68 -7.953 0.030 -13.671 1.00 0.00 C ATOM 998 CG ARG A 68 -8.557 -1.185 -12.964 1.00 0.00 C ATOM 999 CD ARG A 68 -8.657 -2.400 -13.884 1.00 0.00 C ATOM 1000 NE ARG A 68 -7.353 -3.011 -14.162 1.00 0.00 N ATOM 1001 CZ ARG A 68 -7.182 -4.032 -14.967 1.00 0.00 C ATOM 1002 NH1 ARG A 68 -8.182 -4.530 -15.626 1.00 0.00 N ATOM 1003 NH2 ARG A 68 -6.008 -4.559 -15.108 1.00 0.00 N ATOM 0 H ARG A 68 -7.084 2.195 -14.518 1.00 0.00 H new ATOM 0 HA ARG A 68 -8.618 1.497 -12.229 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -8.623 0.340 -14.473 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -7.013 -0.265 -14.137 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -7.947 -1.438 -12.096 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -9.550 -0.930 -12.593 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -9.311 -3.143 -13.428 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -9.121 -2.101 -14.824 1.00 0.00 H new ATOM 0 HE ARG A 68 -6.531 -2.619 -13.702 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -9.113 -4.127 -15.521 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -8.037 -5.324 -16.249 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -5.214 -4.180 -14.592 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -5.877 -5.353 -15.735 1.00 0.00 H new ATOM 1017 N VAL A 69 -5.401 1.339 -11.915 1.00 0.00 N ATOM 1018 CA VAL A 69 -4.246 0.967 -11.090 1.00 0.00 C ATOM 1019 C VAL A 69 -3.396 2.193 -10.705 1.00 0.00 C ATOM 1020 O VAL A 69 -3.463 3.234 -11.359 1.00 0.00 O ATOM 1021 CB VAL A 69 -3.348 -0.041 -11.852 1.00 0.00 C ATOM 1022 CG1 VAL A 69 -4.118 -1.316 -12.183 1.00 0.00 C ATOM 1023 CG2 VAL A 69 -2.785 0.593 -13.125 1.00 0.00 C ATOM 0 H VAL A 69 -5.181 1.998 -12.662 1.00 0.00 H new ATOM 0 HA VAL A 69 -4.636 0.514 -10.178 1.00 0.00 H new ATOM 0 HB VAL A 69 -2.514 -0.308 -11.203 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -3.466 -2.007 -12.717 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -4.463 -1.783 -11.260 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -4.977 -1.071 -12.808 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -2.158 -0.131 -13.645 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -3.606 0.895 -13.775 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -2.189 1.468 -12.863 1.00 0.00 H new ATOM 1033 N ILE A 70 -2.599 2.062 -9.642 1.00 0.00 N ATOM 1034 CA ILE A 70 -1.652 3.120 -9.244 1.00 0.00 C ATOM 1035 C ILE A 70 -0.201 2.635 -9.375 1.00 0.00 C ATOM 1036 O ILE A 70 0.087 1.454 -9.180 1.00 0.00 O ATOM 1037 CB ILE A 70 -1.890 3.601 -7.786 1.00 0.00 C ATOM 1038 CG1 ILE A 70 -1.655 2.456 -6.782 1.00 0.00 C ATOM 1039 CG2 ILE A 70 -3.300 4.170 -7.636 1.00 0.00 C ATOM 1040 CD1 ILE A 70 -1.789 2.873 -5.330 1.00 0.00 C ATOM 0 H ILE A 70 -2.586 1.239 -9.040 1.00 0.00 H new ATOM 0 HA ILE A 70 -1.825 3.958 -9.919 1.00 0.00 H new ATOM 0 HB ILE A 70 -1.173 4.392 -7.567 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -2.366 1.655 -6.987 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -0.658 2.046 -6.941 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -3.451 4.502 -6.609 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -3.425 5.015 -8.313 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -4.031 3.399 -7.879 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -1.609 2.012 -4.686 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -1.060 3.652 -5.106 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -2.794 3.255 -5.153 1.00 0.00 H new ATOM 1052 N ASN A 71 0.712 3.548 -9.705 1.00 0.00 N ATOM 1053 CA ASN A 71 2.132 3.193 -9.856 1.00 0.00 C ATOM 1054 C ASN A 71 2.885 3.253 -8.512 1.00 0.00 C ATOM 1055 O ASN A 71 2.462 3.946 -7.586 1.00 0.00 O ATOM 1056 CB ASN A 71 2.809 4.093 -10.904 1.00 0.00 C ATOM 1057 CG ASN A 71 2.577 5.576 -10.659 1.00 0.00 C ATOM 1058 OD1 ASN A 71 1.616 6.154 -11.150 1.00 0.00 O ATOM 1059 ND2 ASN A 71 3.463 6.209 -9.915 1.00 0.00 N ATOM 0 H ASN A 71 0.502 4.532 -9.873 1.00 0.00 H new ATOM 0 HA ASN A 71 2.176 2.161 -10.205 1.00 0.00 H new ATOM 0 HB2 ASN A 71 3.881 3.895 -10.906 1.00 0.00 H new ATOM 0 HB3 ASN A 71 2.435 3.832 -11.894 1.00 0.00 H new ATOM 0 HD21 ASN A 71 3.358 7.207 -9.735 1.00 0.00 H new ATOM 0 HD22 ASN A 71 4.254 5.700 -9.519 1.00 0.00 H new ATOM 1066 N TYR A 72 4.010 2.529 -8.430 1.00 0.00 N ATOM 1067 CA TYR A 72 4.801 2.404 -7.185 1.00 0.00 C ATOM 1068 C TYR A 72 4.912 3.725 -6.395 1.00 0.00 C ATOM 1069 O TYR A 72 4.693 3.749 -5.183 1.00 0.00 O ATOM 1070 CB TYR A 72 6.207 1.868 -7.504 1.00 0.00 C ATOM 1071 CG TYR A 72 7.119 1.787 -6.288 1.00 0.00 C ATOM 1072 CD1 TYR A 72 6.941 0.800 -5.321 1.00 0.00 C ATOM 1073 CD2 TYR A 72 8.148 2.708 -6.101 1.00 0.00 C ATOM 1074 CE1 TYR A 72 7.757 0.736 -4.207 1.00 0.00 C ATOM 1075 CE2 TYR A 72 8.964 2.649 -4.988 1.00 0.00 C ATOM 1076 CZ TYR A 72 8.765 1.662 -4.045 1.00 0.00 C ATOM 1077 OH TYR A 72 9.574 1.604 -2.933 1.00 0.00 O ATOM 0 H TYR A 72 4.401 2.013 -9.218 1.00 0.00 H new ATOM 0 HA TYR A 72 4.265 1.701 -6.548 1.00 0.00 H new ATOM 0 HB2 TYR A 72 6.117 0.876 -7.947 1.00 0.00 H new ATOM 0 HB3 TYR A 72 6.670 2.510 -8.253 1.00 0.00 H new ATOM 0 HD1 TYR A 72 6.152 0.073 -5.444 1.00 0.00 H new ATOM 0 HD2 TYR A 72 8.310 3.480 -6.838 1.00 0.00 H new ATOM 0 HE1 TYR A 72 7.605 -0.036 -3.467 1.00 0.00 H new ATOM 0 HE2 TYR A 72 9.755 3.373 -4.857 1.00 0.00 H new ATOM 0 HH TYR A 72 10.235 2.327 -2.971 1.00 0.00 H new ATOM 1087 N GLU A 73 5.263 4.812 -7.079 1.00 0.00 N ATOM 1088 CA GLU A 73 5.364 6.137 -6.443 1.00 0.00 C ATOM 1089 C GLU A 73 4.083 6.498 -5.669 1.00 0.00 C ATOM 1090 O GLU A 73 4.141 6.953 -4.523 1.00 0.00 O ATOM 1091 CB GLU A 73 5.640 7.220 -7.502 1.00 0.00 C ATOM 1092 CG GLU A 73 6.876 6.965 -8.366 1.00 0.00 C ATOM 1093 CD GLU A 73 8.160 6.903 -7.555 1.00 0.00 C ATOM 1094 OE1 GLU A 73 8.537 7.937 -6.958 1.00 0.00 O ATOM 1095 OE2 GLU A 73 8.782 5.825 -7.501 1.00 0.00 O ATOM 0 H GLU A 73 5.484 4.808 -8.075 1.00 0.00 H new ATOM 0 HA GLU A 73 6.192 6.093 -5.735 1.00 0.00 H new ATOM 0 HB2 GLU A 73 4.769 7.304 -8.152 1.00 0.00 H new ATOM 0 HB3 GLU A 73 5.756 8.180 -6.999 1.00 0.00 H new ATOM 0 HG2 GLU A 73 6.748 6.028 -8.907 1.00 0.00 H new ATOM 0 HG3 GLU A 73 6.961 7.755 -9.112 1.00 0.00 H new ATOM 1102 N GLU A 74 2.931 6.286 -6.294 1.00 0.00 N ATOM 1103 CA GLU A 74 1.642 6.610 -5.676 1.00 0.00 C ATOM 1104 C GLU A 74 1.256 5.559 -4.626 1.00 0.00 C ATOM 1105 O GLU A 74 0.446 5.819 -3.739 1.00 0.00 O ATOM 1106 CB GLU A 74 0.564 6.735 -6.758 1.00 0.00 C ATOM 1107 CG GLU A 74 0.968 7.700 -7.870 1.00 0.00 C ATOM 1108 CD GLU A 74 -0.102 7.889 -8.930 1.00 0.00 C ATOM 1109 OE1 GLU A 74 -0.616 6.882 -9.456 1.00 0.00 O ATOM 1110 OE2 GLU A 74 -0.410 9.055 -9.265 1.00 0.00 O ATOM 0 H GLU A 74 2.859 5.890 -7.231 1.00 0.00 H new ATOM 0 HA GLU A 74 1.730 7.567 -5.161 1.00 0.00 H new ATOM 0 HB2 GLU A 74 0.367 5.752 -7.187 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -0.366 7.077 -6.303 1.00 0.00 H new ATOM 0 HG2 GLU A 74 1.207 8.668 -7.430 1.00 0.00 H new ATOM 0 HG3 GLU A 74 1.878 7.333 -8.345 1.00 0.00 H new ATOM 1117 N PHE A 75 1.873 4.383 -4.714 1.00 0.00 N ATOM 1118 CA PHE A 75 1.695 3.336 -3.706 1.00 0.00 C ATOM 1119 C PHE A 75 2.382 3.742 -2.397 1.00 0.00 C ATOM 1120 O PHE A 75 1.780 3.692 -1.324 1.00 0.00 O ATOM 1121 CB PHE A 75 2.262 2.004 -4.219 1.00 0.00 C ATOM 1122 CG PHE A 75 2.359 0.922 -3.168 1.00 0.00 C ATOM 1123 CD1 PHE A 75 1.231 0.224 -2.760 1.00 0.00 C ATOM 1124 CD2 PHE A 75 3.584 0.601 -2.594 1.00 0.00 C ATOM 1125 CE1 PHE A 75 1.324 -0.770 -1.803 1.00 0.00 C ATOM 1126 CE2 PHE A 75 3.680 -0.391 -1.637 1.00 0.00 C ATOM 1127 CZ PHE A 75 2.549 -1.077 -1.240 1.00 0.00 C ATOM 0 H PHE A 75 2.503 4.129 -5.475 1.00 0.00 H new ATOM 0 HA PHE A 75 0.630 3.208 -3.515 1.00 0.00 H new ATOM 0 HB2 PHE A 75 1.634 1.646 -5.035 1.00 0.00 H new ATOM 0 HB3 PHE A 75 3.254 2.181 -4.634 1.00 0.00 H new ATOM 0 HD1 PHE A 75 0.271 0.460 -3.194 1.00 0.00 H new ATOM 0 HD2 PHE A 75 4.472 1.134 -2.900 1.00 0.00 H new ATOM 0 HE1 PHE A 75 0.439 -1.307 -1.495 1.00 0.00 H new ATOM 0 HE2 PHE A 75 4.638 -0.630 -1.200 1.00 0.00 H new ATOM 0 HZ PHE A 75 2.621 -1.852 -0.491 1.00 0.00 H new ATOM 1137 N LYS A 76 3.643 4.162 -2.499 1.00 0.00 N ATOM 1138 CA LYS A 76 4.387 4.634 -1.331 1.00 0.00 C ATOM 1139 C LYS A 76 3.838 5.978 -0.824 1.00 0.00 C ATOM 1140 O LYS A 76 4.000 6.326 0.348 1.00 0.00 O ATOM 1141 CB LYS A 76 5.901 4.699 -1.623 1.00 0.00 C ATOM 1142 CG LYS A 76 6.335 5.523 -2.832 1.00 0.00 C ATOM 1143 CD LYS A 76 7.861 5.476 -2.976 1.00 0.00 C ATOM 1144 CE LYS A 76 8.362 6.156 -4.244 1.00 0.00 C ATOM 1145 NZ LYS A 76 8.171 7.628 -4.215 1.00 0.00 N ATOM 0 H LYS A 76 4.168 4.185 -3.373 1.00 0.00 H new ATOM 0 HA LYS A 76 4.246 3.910 -0.528 1.00 0.00 H new ATOM 0 HB2 LYS A 76 6.400 5.101 -0.741 1.00 0.00 H new ATOM 0 HB3 LYS A 76 6.265 3.680 -1.758 1.00 0.00 H new ATOM 0 HG2 LYS A 76 5.864 5.135 -3.735 1.00 0.00 H new ATOM 0 HG3 LYS A 76 6.004 6.555 -2.717 1.00 0.00 H new ATOM 0 HD2 LYS A 76 8.317 5.955 -2.109 1.00 0.00 H new ATOM 0 HD3 LYS A 76 8.188 4.436 -2.975 1.00 0.00 H new ATOM 0 HE2 LYS A 76 9.421 5.933 -4.378 1.00 0.00 H new ATOM 0 HE3 LYS A 76 7.838 5.742 -5.105 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 8.318 8.016 -5.169 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 7.205 7.847 -3.898 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 8.856 8.054 -3.558 1.00 0.00 H new ATOM 1159 N LYS A 77 3.160 6.718 -1.702 1.00 0.00 N ATOM 1160 CA LYS A 77 2.418 7.914 -1.288 1.00 0.00 C ATOM 1161 C LYS A 77 1.160 7.513 -0.495 1.00 0.00 C ATOM 1162 O LYS A 77 0.820 8.130 0.517 1.00 0.00 O ATOM 1163 CB LYS A 77 2.033 8.758 -2.514 1.00 0.00 C ATOM 1164 CG LYS A 77 1.212 10.005 -2.187 1.00 0.00 C ATOM 1165 CD LYS A 77 1.960 10.955 -1.252 1.00 0.00 C ATOM 1166 CE LYS A 77 1.141 12.203 -0.933 1.00 0.00 C ATOM 1167 NZ LYS A 77 1.867 13.128 -0.023 1.00 0.00 N ATOM 0 H LYS A 77 3.108 6.513 -2.700 1.00 0.00 H new ATOM 0 HA LYS A 77 3.059 8.515 -0.643 1.00 0.00 H new ATOM 0 HB2 LYS A 77 2.943 9.062 -3.031 1.00 0.00 H new ATOM 0 HB3 LYS A 77 1.466 8.135 -3.206 1.00 0.00 H new ATOM 0 HG2 LYS A 77 0.963 10.527 -3.111 1.00 0.00 H new ATOM 0 HG3 LYS A 77 0.271 9.708 -1.725 1.00 0.00 H new ATOM 0 HD2 LYS A 77 2.204 10.435 -0.326 1.00 0.00 H new ATOM 0 HD3 LYS A 77 2.904 11.248 -1.712 1.00 0.00 H new ATOM 0 HE2 LYS A 77 0.897 12.723 -1.859 1.00 0.00 H new ATOM 0 HE3 LYS A 77 0.197 11.910 -0.474 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 1.182 13.712 0.498 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 2.435 12.577 0.651 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 2.493 13.744 -0.581 1.00 0.00 H new ATOM 1181 N ALA A 78 0.474 6.467 -0.961 1.00 0.00 N ATOM 1182 CA ALA A 78 -0.684 5.916 -0.249 1.00 0.00 C ATOM 1183 C ALA A 78 -0.280 5.350 1.122 1.00 0.00 C ATOM 1184 O ALA A 78 -1.015 5.480 2.100 1.00 0.00 O ATOM 1185 CB ALA A 78 -1.361 4.840 -1.092 1.00 0.00 C ATOM 0 H ALA A 78 0.700 5.983 -1.830 1.00 0.00 H new ATOM 0 HA ALA A 78 -1.392 6.728 -0.079 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -2.219 4.440 -0.551 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -1.696 5.273 -2.034 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -0.653 4.037 -1.294 1.00 0.00 H new ATOM 1191 N LEU A 79 0.895 4.722 1.186 1.00 0.00 N ATOM 1192 CA LEU A 79 1.435 4.218 2.454 1.00 0.00 C ATOM 1193 C LEU A 79 1.624 5.352 3.470 1.00 0.00 C ATOM 1194 O LEU A 79 1.295 5.197 4.644 1.00 0.00 O ATOM 1195 CB LEU A 79 2.768 3.498 2.224 1.00 0.00 C ATOM 1196 CG LEU A 79 2.686 2.209 1.394 1.00 0.00 C ATOM 1197 CD1 LEU A 79 4.071 1.596 1.227 1.00 0.00 C ATOM 1198 CD2 LEU A 79 1.723 1.209 2.033 1.00 0.00 C ATOM 0 H LEU A 79 1.492 4.549 0.377 1.00 0.00 H new ATOM 0 HA LEU A 79 0.713 3.510 2.861 1.00 0.00 H new ATOM 0 HB2 LEU A 79 3.452 4.186 1.728 1.00 0.00 H new ATOM 0 HB3 LEU A 79 3.204 3.258 3.194 1.00 0.00 H new ATOM 0 HG LEU A 79 2.300 2.461 0.407 1.00 0.00 H new ATOM 0 HD11 LEU A 79 3.996 0.683 0.636 1.00 0.00 H new ATOM 0 HD12 LEU A 79 4.724 2.305 0.718 1.00 0.00 H new ATOM 0 HD13 LEU A 79 4.485 1.361 2.207 1.00 0.00 H new ATOM 0 HD21 LEU A 79 1.682 0.304 1.426 1.00 0.00 H new ATOM 0 HD22 LEU A 79 2.071 0.958 3.035 1.00 0.00 H new ATOM 0 HD23 LEU A 79 0.728 1.650 2.094 1.00 0.00 H new ATOM 1210 N GLU A 80 2.160 6.488 3.015 1.00 0.00 N ATOM 1211 CA GLU A 80 2.272 7.682 3.867 1.00 0.00 C ATOM 1212 C GLU A 80 0.900 8.071 4.451 1.00 0.00 C ATOM 1213 O GLU A 80 0.780 8.385 5.638 1.00 0.00 O ATOM 1214 CB GLU A 80 2.862 8.862 3.074 1.00 0.00 C ATOM 1215 CG GLU A 80 2.966 10.150 3.887 1.00 0.00 C ATOM 1216 CD GLU A 80 3.494 11.329 3.081 1.00 0.00 C ATOM 1217 OE1 GLU A 80 2.825 11.745 2.115 1.00 0.00 O ATOM 1218 OE2 GLU A 80 4.580 11.849 3.413 1.00 0.00 O ATOM 0 H GLU A 80 2.522 6.609 2.069 1.00 0.00 H new ATOM 0 HA GLU A 80 2.944 7.443 4.691 1.00 0.00 H new ATOM 0 HB2 GLU A 80 3.854 8.588 2.714 1.00 0.00 H new ATOM 0 HB3 GLU A 80 2.243 9.045 2.196 1.00 0.00 H new ATOM 0 HG2 GLU A 80 1.983 10.401 4.284 1.00 0.00 H new ATOM 0 HG3 GLU A 80 3.621 9.980 4.742 1.00 0.00 H new ATOM 1225 N GLU A 81 -0.129 8.038 3.604 1.00 0.00 N ATOM 1226 CA GLU A 81 -1.510 8.294 4.036 1.00 0.00 C ATOM 1227 C GLU A 81 -1.905 7.370 5.203 1.00 0.00 C ATOM 1228 O GLU A 81 -2.134 7.833 6.322 1.00 0.00 O ATOM 1229 CB GLU A 81 -2.469 8.096 2.847 1.00 0.00 C ATOM 1230 CG GLU A 81 -3.950 8.250 3.190 1.00 0.00 C ATOM 1231 CD GLU A 81 -4.372 9.695 3.407 1.00 0.00 C ATOM 1232 OE1 GLU A 81 -4.222 10.200 4.534 1.00 0.00 O ATOM 1233 OE2 GLU A 81 -4.873 10.323 2.449 1.00 0.00 O ATOM 0 H GLU A 81 -0.035 7.836 2.609 1.00 0.00 H new ATOM 0 HA GLU A 81 -1.579 9.323 4.387 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -2.214 8.814 2.068 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -2.308 7.102 2.429 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -4.548 7.821 2.386 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -4.168 7.676 4.091 1.00 0.00 H new ATOM 1240 N LEU A 82 -1.945 6.061 4.945 1.00 0.00 N ATOM 1241 CA LEU A 82 -2.318 5.072 5.973 1.00 0.00 C ATOM 1242 C LEU A 82 -1.400 5.149 7.204 1.00 0.00 C ATOM 1243 O LEU A 82 -1.827 4.905 8.334 1.00 0.00 O ATOM 1244 CB LEU A 82 -2.301 3.651 5.390 1.00 0.00 C ATOM 1245 CG LEU A 82 -3.498 3.298 4.495 1.00 0.00 C ATOM 1246 CD1 LEU A 82 -3.482 4.098 3.196 1.00 0.00 C ATOM 1247 CD2 LEU A 82 -3.544 1.797 4.208 1.00 0.00 C ATOM 0 H LEU A 82 -1.725 5.656 4.035 1.00 0.00 H new ATOM 0 HA LEU A 82 -3.330 5.312 6.298 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -1.386 3.523 4.812 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -2.260 2.938 6.213 1.00 0.00 H new ATOM 0 HG LEU A 82 -4.403 3.569 5.039 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -4.344 3.822 2.588 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -3.525 5.163 3.424 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -2.566 3.881 2.647 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -4.401 1.574 3.572 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -2.628 1.495 3.701 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -3.636 1.250 5.146 1.00 0.00 H new ATOM 1259 N ALA A 83 -0.142 5.482 6.969 1.00 0.00 N ATOM 1260 CA ALA A 83 0.827 5.686 8.054 1.00 0.00 C ATOM 1261 C ALA A 83 0.386 6.828 8.984 1.00 0.00 C ATOM 1262 O ALA A 83 0.370 6.673 10.205 1.00 0.00 O ATOM 1263 CB ALA A 83 2.216 5.966 7.488 1.00 0.00 C ATOM 0 H ALA A 83 0.242 5.619 6.034 1.00 0.00 H new ATOM 0 HA ALA A 83 0.869 4.769 8.642 1.00 0.00 H new ATOM 0 HB1 ALA A 83 2.920 6.114 8.307 1.00 0.00 H new ATOM 0 HB2 ALA A 83 2.539 5.120 6.881 1.00 0.00 H new ATOM 0 HB3 ALA A 83 2.183 6.864 6.871 1.00 0.00 H new ATOM 1269 N THR A 84 0.012 7.967 8.399 1.00 0.00 N ATOM 1270 CA THR A 84 -0.451 9.129 9.179 1.00 0.00 C ATOM 1271 C THR A 84 -1.829 8.877 9.810 1.00 0.00 C ATOM 1272 O THR A 84 -2.228 9.565 10.746 1.00 0.00 O ATOM 1273 CB THR A 84 -0.524 10.419 8.320 1.00 0.00 C ATOM 1274 OG1 THR A 84 -1.463 10.256 7.248 1.00 0.00 O ATOM 1275 CG2 THR A 84 0.845 10.780 7.750 1.00 0.00 C ATOM 0 H THR A 84 0.019 8.115 7.390 1.00 0.00 H new ATOM 0 HA THR A 84 0.288 9.271 9.968 1.00 0.00 H new ATOM 0 HB THR A 84 -0.855 11.230 8.969 1.00 0.00 H new ATOM 0 HG1 THR A 84 -1.709 9.311 7.169 1.00 0.00 H new ATOM 0 HG21 THR A 84 0.762 11.688 7.153 1.00 0.00 H new ATOM 0 HG22 THR A 84 1.547 10.946 8.567 1.00 0.00 H new ATOM 0 HG23 THR A 84 1.204 9.964 7.123 1.00 0.00 H new ATOM 1283 N LYS A 85 -2.557 7.895 9.280 1.00 0.00 N ATOM 1284 CA LYS A 85 -3.837 7.469 9.865 1.00 0.00 C ATOM 1285 C LYS A 85 -3.623 6.808 11.242 1.00 0.00 C ATOM 1286 O LYS A 85 -4.379 7.044 12.185 1.00 0.00 O ATOM 1287 CB LYS A 85 -4.537 6.471 8.928 1.00 0.00 C ATOM 1288 CG LYS A 85 -4.860 7.019 7.537 1.00 0.00 C ATOM 1289 CD LYS A 85 -6.227 7.698 7.476 1.00 0.00 C ATOM 1290 CE LYS A 85 -6.549 8.189 6.066 1.00 0.00 C ATOM 1291 NZ LYS A 85 -7.996 8.488 5.889 1.00 0.00 N ATOM 0 H LYS A 85 -2.285 7.376 8.445 1.00 0.00 H new ATOM 0 HA LYS A 85 -4.460 8.354 9.994 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -3.904 5.591 8.819 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -5.464 6.141 9.398 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -4.090 7.733 7.244 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -4.831 6.204 6.814 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -6.996 6.998 7.803 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -6.247 8.540 8.168 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -5.966 9.086 5.854 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -6.245 7.433 5.342 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -8.169 8.801 4.912 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -8.554 7.631 6.082 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -8.278 9.240 6.549 1.00 0.00 H new ATOM 1305 N ARG A 86 -2.582 5.975 11.341 1.00 0.00 N ATOM 1306 CA ARG A 86 -2.300 5.209 12.568 1.00 0.00 C ATOM 1307 C ARG A 86 -1.090 5.760 13.354 1.00 0.00 C ATOM 1308 O ARG A 86 -1.211 6.119 14.528 1.00 0.00 O ATOM 1309 CB ARG A 86 -2.060 3.729 12.210 1.00 0.00 C ATOM 1310 CG ARG A 86 -3.284 3.029 11.617 1.00 0.00 C ATOM 1311 CD ARG A 86 -2.944 1.658 11.032 1.00 0.00 C ATOM 1312 NE ARG A 86 -2.336 0.755 12.013 1.00 0.00 N ATOM 1313 CZ ARG A 86 -2.502 -0.541 12.017 1.00 0.00 C ATOM 1314 NH1 ARG A 86 -3.303 -1.104 11.168 1.00 0.00 N ATOM 1315 NH2 ARG A 86 -1.881 -1.272 12.886 1.00 0.00 N ATOM 0 H ARG A 86 -1.916 5.811 10.586 1.00 0.00 H new ATOM 0 HA ARG A 86 -3.171 5.306 13.216 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -1.237 3.666 11.498 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -1.747 3.194 13.107 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -4.043 2.913 12.390 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -3.716 3.657 10.838 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -3.852 1.201 10.639 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -2.262 1.786 10.192 1.00 0.00 H new ATOM 0 HE ARG A 86 -1.746 1.164 12.738 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -3.810 -0.535 10.490 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -3.427 -2.116 11.178 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -1.261 -0.836 13.569 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -2.012 -2.284 12.888 1.00 0.00 H new ATOM 1329 N PHE A 87 0.073 5.832 12.707 1.00 0.00 N ATOM 1330 CA PHE A 87 1.335 6.175 13.392 1.00 0.00 C ATOM 1331 C PHE A 87 1.607 7.690 13.435 1.00 0.00 C ATOM 1332 O PHE A 87 2.761 8.121 13.499 1.00 0.00 O ATOM 1333 CB PHE A 87 2.510 5.467 12.704 1.00 0.00 C ATOM 1334 CG PHE A 87 2.375 3.966 12.635 1.00 0.00 C ATOM 1335 CD1 PHE A 87 2.840 3.165 13.669 1.00 0.00 C ATOM 1336 CD2 PHE A 87 1.796 3.355 11.530 1.00 0.00 C ATOM 1337 CE1 PHE A 87 2.728 1.789 13.602 1.00 0.00 C ATOM 1338 CE2 PHE A 87 1.680 1.981 11.462 1.00 0.00 C ATOM 1339 CZ PHE A 87 2.148 1.197 12.498 1.00 0.00 C ATOM 0 H PHE A 87 0.175 5.658 11.707 1.00 0.00 H new ATOM 0 HA PHE A 87 1.233 5.837 14.423 1.00 0.00 H new ATOM 0 HB2 PHE A 87 2.612 5.858 11.692 1.00 0.00 H new ATOM 0 HB3 PHE A 87 3.429 5.714 13.235 1.00 0.00 H new ATOM 0 HD1 PHE A 87 3.294 3.622 14.536 1.00 0.00 H new ATOM 0 HD2 PHE A 87 1.432 3.962 10.714 1.00 0.00 H new ATOM 0 HE1 PHE A 87 3.094 1.177 14.413 1.00 0.00 H new ATOM 0 HE2 PHE A 87 1.223 1.519 10.599 1.00 0.00 H new ATOM 0 HZ PHE A 87 2.060 0.122 12.445 1.00 0.00 H new ATOM 1349 N LYS A 88 0.555 8.493 13.448 1.00 0.00 N ATOM 1350 CA LYS A 88 0.711 9.954 13.492 1.00 0.00 C ATOM 1351 C LYS A 88 1.202 10.425 14.872 1.00 0.00 C ATOM 1352 O LYS A 88 0.932 9.790 15.895 1.00 0.00 O ATOM 1353 CB LYS A 88 -0.606 10.654 13.125 1.00 0.00 C ATOM 1354 CG LYS A 88 -1.786 10.280 14.019 1.00 0.00 C ATOM 1355 CD LYS A 88 -3.075 10.966 13.571 1.00 0.00 C ATOM 1356 CE LYS A 88 -4.253 10.595 14.461 1.00 0.00 C ATOM 1357 NZ LYS A 88 -4.075 11.082 15.855 1.00 0.00 N ATOM 0 H LYS A 88 -0.412 8.170 13.429 1.00 0.00 H new ATOM 0 HA LYS A 88 1.467 10.226 12.755 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -0.456 11.733 13.173 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -0.857 10.413 12.092 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -1.925 9.199 14.004 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -1.565 10.559 15.049 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -2.935 12.047 13.585 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -3.296 10.687 12.541 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -5.168 11.016 14.044 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -4.374 9.512 14.468 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -4.963 10.960 16.382 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -3.320 10.538 16.319 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -3.817 12.089 15.841 1.00 0.00 H new ATOM 1371 N GLY A 89 1.936 11.538 14.897 1.00 0.00 N ATOM 1372 CA GLY A 89 2.482 12.051 16.151 1.00 0.00 C ATOM 1373 C GLY A 89 3.945 11.670 16.362 1.00 0.00 C ATOM 1374 O GLY A 89 4.691 12.385 17.037 1.00 0.00 O ATOM 0 H GLY A 89 2.163 12.095 14.073 1.00 0.00 H new ATOM 0 HA2 GLY A 89 2.389 13.137 16.165 1.00 0.00 H new ATOM 0 HA3 GLY A 89 1.889 11.670 16.982 1.00 0.00 H new ATOM 1378 N LYS A 90 4.349 10.536 15.794 1.00 0.00 N ATOM 1379 CA LYS A 90 5.744 10.083 15.857 1.00 0.00 C ATOM 1380 C LYS A 90 6.582 10.685 14.717 1.00 0.00 C ATOM 1381 O LYS A 90 6.089 11.487 13.920 1.00 0.00 O ATOM 1382 CB LYS A 90 5.813 8.548 15.795 1.00 0.00 C ATOM 1383 CG LYS A 90 5.349 7.845 17.068 1.00 0.00 C ATOM 1384 CD LYS A 90 5.428 6.325 16.927 1.00 0.00 C ATOM 1385 CE LYS A 90 5.199 5.616 18.256 1.00 0.00 C ATOM 1386 NZ LYS A 90 3.873 5.937 18.847 1.00 0.00 N ATOM 0 H LYS A 90 3.729 9.908 15.282 1.00 0.00 H new ATOM 0 HA LYS A 90 6.158 10.426 16.805 1.00 0.00 H new ATOM 0 HB2 LYS A 90 5.203 8.202 14.960 1.00 0.00 H new ATOM 0 HB3 LYS A 90 6.840 8.251 15.584 1.00 0.00 H new ATOM 0 HG2 LYS A 90 5.965 8.166 17.908 1.00 0.00 H new ATOM 0 HG3 LYS A 90 4.324 8.138 17.294 1.00 0.00 H new ATOM 0 HD2 LYS A 90 4.685 5.989 16.204 1.00 0.00 H new ATOM 0 HD3 LYS A 90 6.405 6.048 16.532 1.00 0.00 H new ATOM 0 HE2 LYS A 90 5.277 4.539 18.109 1.00 0.00 H new ATOM 0 HE3 LYS A 90 5.985 5.900 18.956 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 3.728 5.368 19.705 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 3.837 6.947 19.092 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 3.124 5.721 18.158 1.00 0.00 H new ATOM 1400 N SER A 91 7.855 10.296 14.651 1.00 0.00 N ATOM 1401 CA SER A 91 8.755 10.752 13.584 1.00 0.00 C ATOM 1402 C SER A 91 8.277 10.260 12.212 1.00 0.00 C ATOM 1403 O SER A 91 7.905 9.093 12.056 1.00 0.00 O ATOM 1404 CB SER A 91 10.187 10.258 13.842 1.00 0.00 C ATOM 1405 OG SER A 91 11.093 10.735 12.856 1.00 0.00 O ATOM 0 H SER A 91 8.290 9.665 15.324 1.00 0.00 H new ATOM 0 HA SER A 91 8.747 11.842 13.584 1.00 0.00 H new ATOM 0 HB2 SER A 91 10.514 10.589 14.828 1.00 0.00 H new ATOM 0 HB3 SER A 91 10.200 9.168 13.851 1.00 0.00 H new ATOM 0 HG SER A 91 11.994 10.403 13.052 1.00 0.00 H new ATOM 1411 N LYS A 92 8.290 11.157 11.228 1.00 0.00 N ATOM 1412 CA LYS A 92 7.840 10.852 9.859 1.00 0.00 C ATOM 1413 C LYS A 92 8.464 9.552 9.328 1.00 0.00 C ATOM 1414 O LYS A 92 7.767 8.685 8.787 1.00 0.00 O ATOM 1415 CB LYS A 92 8.198 12.021 8.927 1.00 0.00 C ATOM 1416 CG LYS A 92 7.750 11.831 7.480 1.00 0.00 C ATOM 1417 CD LYS A 92 8.255 12.959 6.582 1.00 0.00 C ATOM 1418 CE LYS A 92 7.748 12.813 5.151 1.00 0.00 C ATOM 1419 NZ LYS A 92 6.272 12.957 5.070 1.00 0.00 N ATOM 0 H LYS A 92 8.612 12.117 11.351 1.00 0.00 H new ATOM 0 HA LYS A 92 6.759 10.713 9.885 1.00 0.00 H new ATOM 0 HB2 LYS A 92 7.747 12.933 9.318 1.00 0.00 H new ATOM 0 HB3 LYS A 92 9.278 12.167 8.944 1.00 0.00 H new ATOM 0 HG2 LYS A 92 8.119 10.875 7.107 1.00 0.00 H new ATOM 0 HG3 LYS A 92 6.662 11.791 7.438 1.00 0.00 H new ATOM 0 HD2 LYS A 92 7.931 13.918 6.986 1.00 0.00 H new ATOM 0 HD3 LYS A 92 9.345 12.964 6.583 1.00 0.00 H new ATOM 0 HE2 LYS A 92 8.221 13.565 4.519 1.00 0.00 H new ATOM 0 HE3 LYS A 92 8.040 11.838 4.760 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 5.870 12.136 4.575 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 5.875 13.011 6.030 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 6.036 13.825 4.548 1.00 0.00 H new ATOM 1433 N GLU A 93 9.781 9.423 9.486 1.00 0.00 N ATOM 1434 CA GLU A 93 10.497 8.214 9.059 1.00 0.00 C ATOM 1435 C GLU A 93 9.987 6.966 9.801 1.00 0.00 C ATOM 1436 O GLU A 93 9.674 5.951 9.181 1.00 0.00 O ATOM 1437 CB GLU A 93 12.015 8.369 9.272 1.00 0.00 C ATOM 1438 CG GLU A 93 12.418 8.672 10.712 1.00 0.00 C ATOM 1439 CD GLU A 93 13.925 8.676 10.916 1.00 0.00 C ATOM 1440 OE1 GLU A 93 14.566 9.715 10.643 1.00 0.00 O ATOM 1441 OE2 GLU A 93 14.474 7.644 11.355 1.00 0.00 O ATOM 0 H GLU A 93 10.376 10.138 9.905 1.00 0.00 H new ATOM 0 HA GLU A 93 10.303 8.082 7.995 1.00 0.00 H new ATOM 0 HB2 GLU A 93 12.511 7.452 8.953 1.00 0.00 H new ATOM 0 HB3 GLU A 93 12.381 9.169 8.628 1.00 0.00 H new ATOM 0 HG2 GLU A 93 12.015 9.643 11.000 1.00 0.00 H new ATOM 0 HG3 GLU A 93 11.969 7.931 11.373 1.00 0.00 H new ATOM 1448 N GLU A 94 9.877 7.059 11.129 1.00 0.00 N ATOM 1449 CA GLU A 94 9.432 5.927 11.951 1.00 0.00 C ATOM 1450 C GLU A 94 8.039 5.445 11.530 1.00 0.00 C ATOM 1451 O GLU A 94 7.817 4.249 11.353 1.00 0.00 O ATOM 1452 CB GLU A 94 9.436 6.300 13.442 1.00 0.00 C ATOM 1453 CG GLU A 94 8.870 5.205 14.348 1.00 0.00 C ATOM 1454 CD GLU A 94 8.981 5.521 15.832 1.00 0.00 C ATOM 1455 OE1 GLU A 94 9.041 6.715 16.195 1.00 0.00 O ATOM 1456 OE2 GLU A 94 9.000 4.575 16.646 1.00 0.00 O ATOM 0 H GLU A 94 10.089 7.905 11.659 1.00 0.00 H new ATOM 0 HA GLU A 94 10.136 5.110 11.793 1.00 0.00 H new ATOM 0 HB2 GLU A 94 10.458 6.523 13.750 1.00 0.00 H new ATOM 0 HB3 GLU A 94 8.855 7.212 13.582 1.00 0.00 H new ATOM 0 HG2 GLU A 94 7.821 5.044 14.097 1.00 0.00 H new ATOM 0 HG3 GLU A 94 9.393 4.271 14.144 1.00 0.00 H new ATOM 1463 N ALA A 95 7.113 6.385 11.361 1.00 0.00 N ATOM 1464 CA ALA A 95 5.746 6.068 10.932 1.00 0.00 C ATOM 1465 C ALA A 95 5.730 5.328 9.585 1.00 0.00 C ATOM 1466 O ALA A 95 5.020 4.332 9.416 1.00 0.00 O ATOM 1467 CB ALA A 95 4.920 7.348 10.842 1.00 0.00 C ATOM 0 H ALA A 95 7.282 7.379 11.515 1.00 0.00 H new ATOM 0 HA ALA A 95 5.306 5.404 11.676 1.00 0.00 H new ATOM 0 HB1 ALA A 95 3.906 7.105 10.523 1.00 0.00 H new ATOM 0 HB2 ALA A 95 4.887 7.829 11.819 1.00 0.00 H new ATOM 0 HB3 ALA A 95 5.376 8.025 10.119 1.00 0.00 H new ATOM 1473 N PHE A 96 6.525 5.814 8.634 1.00 0.00 N ATOM 1474 CA PHE A 96 6.586 5.218 7.296 1.00 0.00 C ATOM 1475 C PHE A 96 7.231 3.818 7.332 1.00 0.00 C ATOM 1476 O PHE A 96 6.680 2.853 6.793 1.00 0.00 O ATOM 1477 CB PHE A 96 7.361 6.142 6.343 1.00 0.00 C ATOM 1478 CG PHE A 96 7.263 5.734 4.891 1.00 0.00 C ATOM 1479 CD1 PHE A 96 6.164 6.111 4.127 1.00 0.00 C ATOM 1480 CD2 PHE A 96 8.264 4.980 4.291 1.00 0.00 C ATOM 1481 CE1 PHE A 96 6.065 5.739 2.801 1.00 0.00 C ATOM 1482 CE2 PHE A 96 8.167 4.607 2.964 1.00 0.00 C ATOM 1483 CZ PHE A 96 7.068 4.989 2.218 1.00 0.00 C ATOM 0 H PHE A 96 7.137 6.620 8.763 1.00 0.00 H new ATOM 0 HA PHE A 96 5.566 5.103 6.930 1.00 0.00 H new ATOM 0 HB2 PHE A 96 6.986 7.160 6.452 1.00 0.00 H new ATOM 0 HB3 PHE A 96 8.410 6.156 6.638 1.00 0.00 H new ATOM 0 HD1 PHE A 96 5.379 6.701 4.576 1.00 0.00 H new ATOM 0 HD2 PHE A 96 9.127 4.682 4.868 1.00 0.00 H new ATOM 0 HE1 PHE A 96 5.204 6.034 2.220 1.00 0.00 H new ATOM 0 HE2 PHE A 96 8.950 4.017 2.510 1.00 0.00 H new ATOM 0 HZ PHE A 96 6.993 4.701 1.180 1.00 0.00 H new ATOM 1493 N ASP A 97 8.398 3.707 7.968 1.00 0.00 N ATOM 1494 CA ASP A 97 9.082 2.414 8.109 1.00 0.00 C ATOM 1495 C ASP A 97 8.235 1.410 8.914 1.00 0.00 C ATOM 1496 O ASP A 97 8.290 0.201 8.671 1.00 0.00 O ATOM 1497 CB ASP A 97 10.453 2.596 8.776 1.00 0.00 C ATOM 1498 CG ASP A 97 11.440 3.347 7.893 1.00 0.00 C ATOM 1499 OD1 ASP A 97 11.787 2.826 6.811 1.00 0.00 O ATOM 1500 OD2 ASP A 97 11.891 4.444 8.286 1.00 0.00 O ATOM 0 H ASP A 97 8.891 4.492 8.394 1.00 0.00 H new ATOM 0 HA ASP A 97 9.224 2.010 7.107 1.00 0.00 H new ATOM 0 HB2 ASP A 97 10.327 3.136 9.714 1.00 0.00 H new ATOM 0 HB3 ASP A 97 10.865 1.618 9.024 1.00 0.00 H new ATOM 1505 N ALA A 98 7.444 1.921 9.859 1.00 0.00 N ATOM 1506 CA ALA A 98 6.582 1.078 10.697 1.00 0.00 C ATOM 1507 C ALA A 98 5.466 0.409 9.881 1.00 0.00 C ATOM 1508 O ALA A 98 5.320 -0.815 9.900 1.00 0.00 O ATOM 1509 CB ALA A 98 5.980 1.896 11.834 1.00 0.00 C ATOM 0 H ALA A 98 7.381 2.918 10.065 1.00 0.00 H new ATOM 0 HA ALA A 98 7.207 0.288 11.114 1.00 0.00 H new ATOM 0 HB1 ALA A 98 5.344 1.256 12.445 1.00 0.00 H new ATOM 0 HB2 ALA A 98 6.780 2.307 12.450 1.00 0.00 H new ATOM 0 HB3 ALA A 98 5.385 2.711 11.421 1.00 0.00 H new ATOM 1515 N ILE A 99 4.677 1.210 9.162 1.00 0.00 N ATOM 1516 CA ILE A 99 3.593 0.662 8.337 1.00 0.00 C ATOM 1517 C ILE A 99 4.140 -0.333 7.298 1.00 0.00 C ATOM 1518 O ILE A 99 3.545 -1.384 7.053 1.00 0.00 O ATOM 1519 CB ILE A 99 2.778 1.778 7.629 1.00 0.00 C ATOM 1520 CG1 ILE A 99 1.618 1.164 6.823 1.00 0.00 C ATOM 1521 CG2 ILE A 99 3.673 2.632 6.731 1.00 0.00 C ATOM 1522 CD1 ILE A 99 0.759 2.185 6.109 1.00 0.00 C ATOM 0 H ILE A 99 4.764 2.226 9.132 1.00 0.00 H new ATOM 0 HA ILE A 99 2.919 0.134 9.012 1.00 0.00 H new ATOM 0 HB ILE A 99 2.360 2.431 8.395 1.00 0.00 H new ATOM 0 HG12 ILE A 99 2.026 0.470 6.088 1.00 0.00 H new ATOM 0 HG13 ILE A 99 0.989 0.582 7.496 1.00 0.00 H new ATOM 0 HG21 ILE A 99 3.074 3.405 6.249 1.00 0.00 H new ATOM 0 HG22 ILE A 99 4.452 3.100 7.333 1.00 0.00 H new ATOM 0 HG23 ILE A 99 4.132 2.001 5.970 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -0.035 1.675 5.564 1.00 0.00 H new ATOM 0 HD12 ILE A 99 0.320 2.865 6.839 1.00 0.00 H new ATOM 0 HD13 ILE A 99 1.373 2.752 5.409 1.00 0.00 H new ATOM 1534 N CYS A 100 5.293 -0.007 6.713 1.00 0.00 N ATOM 1535 CA CYS A 100 5.974 -0.918 5.785 1.00 0.00 C ATOM 1536 C CYS A 100 6.421 -2.199 6.501 1.00 0.00 C ATOM 1537 O CYS A 100 6.354 -3.289 5.941 1.00 0.00 O ATOM 1538 CB CYS A 100 7.186 -0.230 5.148 1.00 0.00 C ATOM 1539 SG CYS A 100 6.776 1.245 4.189 1.00 0.00 S ATOM 0 H CYS A 100 5.776 0.879 6.863 1.00 0.00 H new ATOM 0 HA CYS A 100 5.265 -1.187 5.002 1.00 0.00 H new ATOM 0 HB2 CYS A 100 7.889 0.045 5.934 1.00 0.00 H new ATOM 0 HB3 CYS A 100 7.695 -0.942 4.499 1.00 0.00 H new ATOM 0 HG CYS A 100 6.633 2.258 4.991 1.00 0.00 H new ATOM 1545 N GLN A 101 6.866 -2.052 7.748 1.00 0.00 N ATOM 1546 CA GLN A 101 7.275 -3.192 8.580 1.00 0.00 C ATOM 1547 C GLN A 101 6.114 -4.182 8.793 1.00 0.00 C ATOM 1548 O GLN A 101 6.329 -5.382 8.978 1.00 0.00 O ATOM 1549 CB GLN A 101 7.782 -2.682 9.936 1.00 0.00 C ATOM 1550 CG GLN A 101 8.257 -3.779 10.880 1.00 0.00 C ATOM 1551 CD GLN A 101 8.612 -3.247 12.255 1.00 0.00 C ATOM 1552 OE1 GLN A 101 9.754 -2.884 12.525 1.00 0.00 O ATOM 1553 NE2 GLN A 101 7.633 -3.185 13.133 1.00 0.00 N ATOM 0 H GLN A 101 6.954 -1.148 8.211 1.00 0.00 H new ATOM 0 HA GLN A 101 8.074 -3.722 8.061 1.00 0.00 H new ATOM 0 HB2 GLN A 101 8.603 -1.985 9.765 1.00 0.00 H new ATOM 0 HB3 GLN A 101 6.983 -2.121 10.422 1.00 0.00 H new ATOM 0 HG2 GLN A 101 7.477 -4.534 10.976 1.00 0.00 H new ATOM 0 HG3 GLN A 101 9.128 -4.273 10.449 1.00 0.00 H new ATOM 0 HE21 GLN A 101 6.696 -3.495 12.875 1.00 0.00 H new ATOM 0 HE22 GLN A 101 7.811 -2.827 14.071 1.00 0.00 H new ATOM 1562 N LEU A 102 4.883 -3.673 8.779 1.00 0.00 N ATOM 1563 CA LEU A 102 3.692 -4.523 8.927 1.00 0.00 C ATOM 1564 C LEU A 102 3.355 -5.280 7.628 1.00 0.00 C ATOM 1565 O LEU A 102 2.553 -6.217 7.641 1.00 0.00 O ATOM 1566 CB LEU A 102 2.483 -3.676 9.351 1.00 0.00 C ATOM 1567 CG LEU A 102 2.660 -2.868 10.649 1.00 0.00 C ATOM 1568 CD1 LEU A 102 1.400 -2.066 10.961 1.00 0.00 C ATOM 1569 CD2 LEU A 102 3.020 -3.789 11.814 1.00 0.00 C ATOM 0 H LEU A 102 4.680 -2.680 8.667 1.00 0.00 H new ATOM 0 HA LEU A 102 3.918 -5.260 9.698 1.00 0.00 H new ATOM 0 HB2 LEU A 102 2.245 -2.984 8.543 1.00 0.00 H new ATOM 0 HB3 LEU A 102 1.623 -4.336 9.469 1.00 0.00 H new ATOM 0 HG LEU A 102 3.482 -2.166 10.505 1.00 0.00 H new ATOM 0 HD11 LEU A 102 1.546 -1.502 11.882 1.00 0.00 H new ATOM 0 HD12 LEU A 102 1.196 -1.376 10.142 1.00 0.00 H new ATOM 0 HD13 LEU A 102 0.557 -2.746 11.082 1.00 0.00 H new ATOM 0 HD21 LEU A 102 3.141 -3.198 12.722 1.00 0.00 H new ATOM 0 HD22 LEU A 102 2.224 -4.519 11.960 1.00 0.00 H new ATOM 0 HD23 LEU A 102 3.953 -4.308 11.593 1.00 0.00 H new ATOM 1581 N VAL A 103 3.970 -4.877 6.514 1.00 0.00 N ATOM 1582 CA VAL A 103 3.664 -5.452 5.193 1.00 0.00 C ATOM 1583 C VAL A 103 4.825 -6.305 4.640 1.00 0.00 C ATOM 1584 O VAL A 103 4.644 -7.479 4.300 1.00 0.00 O ATOM 1585 CB VAL A 103 3.349 -4.325 4.173 1.00 0.00 C ATOM 1586 CG1 VAL A 103 3.019 -4.904 2.797 1.00 0.00 C ATOM 1587 CG2 VAL A 103 2.213 -3.433 4.677 1.00 0.00 C ATOM 0 H VAL A 103 4.687 -4.152 6.496 1.00 0.00 H new ATOM 0 HA VAL A 103 2.796 -6.098 5.329 1.00 0.00 H new ATOM 0 HB VAL A 103 4.242 -3.708 4.071 1.00 0.00 H new ATOM 0 HG11 VAL A 103 2.803 -4.092 2.103 1.00 0.00 H new ATOM 0 HG12 VAL A 103 3.870 -5.478 2.430 1.00 0.00 H new ATOM 0 HG13 VAL A 103 2.149 -5.556 2.876 1.00 0.00 H new ATOM 0 HG21 VAL A 103 2.012 -2.651 3.944 1.00 0.00 H new ATOM 0 HG22 VAL A 103 1.315 -4.034 4.822 1.00 0.00 H new ATOM 0 HG23 VAL A 103 2.501 -2.977 5.624 1.00 0.00 H new ATOM 1597 N ALA A 104 6.010 -5.695 4.582 1.00 0.00 N ATOM 1598 CA ALA A 104 7.206 -6.270 3.941 1.00 0.00 C ATOM 1599 C ALA A 104 7.408 -7.770 4.216 1.00 0.00 C ATOM 1600 O ALA A 104 7.429 -8.207 5.367 1.00 0.00 O ATOM 1601 CB ALA A 104 8.438 -5.493 4.396 1.00 0.00 C ATOM 0 H ALA A 104 6.174 -4.772 4.984 1.00 0.00 H new ATOM 0 HA ALA A 104 7.056 -6.181 2.865 1.00 0.00 H new ATOM 0 HB1 ALA A 104 9.327 -5.913 3.926 1.00 0.00 H new ATOM 0 HB2 ALA A 104 8.335 -4.447 4.108 1.00 0.00 H new ATOM 0 HB3 ALA A 104 8.533 -5.564 5.480 1.00 0.00 H new ATOM 1607 N GLY A 105 7.550 -8.552 3.146 1.00 0.00 N ATOM 1608 CA GLY A 105 7.889 -9.967 3.279 1.00 0.00 C ATOM 1609 C GLY A 105 6.747 -10.920 2.933 1.00 0.00 C ATOM 1610 O GLY A 105 6.983 -12.017 2.419 1.00 0.00 O ATOM 0 H GLY A 105 7.436 -8.232 2.184 1.00 0.00 H new ATOM 0 HA2 GLY A 105 8.739 -10.187 2.634 1.00 0.00 H new ATOM 0 HA3 GLY A 105 8.209 -10.158 4.304 1.00 0.00 H new ATOM 1614 N LYS A 106 5.510 -10.510 3.207 1.00 0.00 N ATOM 1615 CA LYS A 106 4.350 -11.391 3.016 1.00 0.00 C ATOM 1616 C LYS A 106 3.856 -11.429 1.560 1.00 0.00 C ATOM 1617 O LYS A 106 4.263 -10.624 0.717 1.00 0.00 O ATOM 1618 CB LYS A 106 3.202 -10.980 3.946 1.00 0.00 C ATOM 1619 CG LYS A 106 3.461 -11.295 5.416 1.00 0.00 C ATOM 1620 CD LYS A 106 2.250 -10.969 6.288 1.00 0.00 C ATOM 1621 CE LYS A 106 1.965 -9.471 6.331 1.00 0.00 C ATOM 1622 NZ LYS A 106 3.083 -8.716 6.957 1.00 0.00 N ATOM 0 H LYS A 106 5.282 -9.581 3.560 1.00 0.00 H new ATOM 0 HA LYS A 106 4.685 -12.398 3.267 1.00 0.00 H new ATOM 0 HB2 LYS A 106 3.025 -9.910 3.839 1.00 0.00 H new ATOM 0 HB3 LYS A 106 2.291 -11.488 3.630 1.00 0.00 H new ATOM 0 HG2 LYS A 106 3.712 -12.350 5.523 1.00 0.00 H new ATOM 0 HG3 LYS A 106 4.323 -10.725 5.763 1.00 0.00 H new ATOM 0 HD2 LYS A 106 1.375 -11.494 5.905 1.00 0.00 H new ATOM 0 HD3 LYS A 106 2.423 -11.335 7.300 1.00 0.00 H new ATOM 0 HE2 LYS A 106 1.799 -9.103 5.319 1.00 0.00 H new ATOM 0 HE3 LYS A 106 1.047 -9.291 6.890 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 2.716 -7.841 7.382 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 3.526 -9.300 7.695 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 3.790 -8.478 6.232 1.00 0.00 H new ATOM 1636 N GLU A 107 2.958 -12.381 1.297 1.00 0.00 N ATOM 1637 CA GLU A 107 2.392 -12.615 -0.039 1.00 0.00 C ATOM 1638 C GLU A 107 0.843 -12.609 0.020 1.00 0.00 C ATOM 1639 O GLU A 107 0.269 -12.684 1.109 1.00 0.00 O ATOM 1640 CB GLU A 107 2.918 -13.964 -0.570 1.00 0.00 C ATOM 1641 CG GLU A 107 2.556 -15.159 0.310 1.00 0.00 C ATOM 1642 CD GLU A 107 3.262 -16.438 -0.116 1.00 0.00 C ATOM 1643 OE1 GLU A 107 2.754 -17.139 -1.018 1.00 0.00 O ATOM 1644 OE2 GLU A 107 4.339 -16.744 0.441 1.00 0.00 O ATOM 0 H GLU A 107 2.599 -13.017 2.009 1.00 0.00 H new ATOM 0 HA GLU A 107 2.698 -11.817 -0.715 1.00 0.00 H new ATOM 0 HB2 GLU A 107 2.520 -14.129 -1.571 1.00 0.00 H new ATOM 0 HB3 GLU A 107 4.003 -13.909 -0.663 1.00 0.00 H new ATOM 0 HG2 GLU A 107 2.814 -14.934 1.345 1.00 0.00 H new ATOM 0 HG3 GLU A 107 1.478 -15.316 0.277 1.00 0.00 H new ATOM 1651 N PRO A 108 0.141 -12.508 -1.137 1.00 0.00 N ATOM 1652 CA PRO A 108 -1.341 -12.463 -1.172 1.00 0.00 C ATOM 1653 C PRO A 108 -2.017 -13.789 -0.759 1.00 0.00 C ATOM 1654 O PRO A 108 -2.601 -14.486 -1.593 1.00 0.00 O ATOM 1655 CB PRO A 108 -1.648 -12.123 -2.645 1.00 0.00 C ATOM 1656 CG PRO A 108 -0.463 -12.622 -3.400 1.00 0.00 C ATOM 1657 CD PRO A 108 0.721 -12.410 -2.492 1.00 0.00 C ATOM 0 HA PRO A 108 -1.733 -11.741 -0.455 1.00 0.00 H new ATOM 0 HB2 PRO A 108 -2.565 -12.607 -2.981 1.00 0.00 H new ATOM 0 HB3 PRO A 108 -1.784 -11.051 -2.784 1.00 0.00 H new ATOM 0 HG2 PRO A 108 -0.577 -13.676 -3.655 1.00 0.00 H new ATOM 0 HG3 PRO A 108 -0.339 -12.079 -4.337 1.00 0.00 H new ATOM 0 HD2 PRO A 108 1.491 -13.164 -2.654 1.00 0.00 H new ATOM 0 HD3 PRO A 108 1.186 -11.439 -2.660 1.00 0.00 H new ATOM 1665 N ALA A 109 -1.960 -14.109 0.539 1.00 0.00 N ATOM 1666 CA ALA A 109 -2.541 -15.350 1.078 1.00 0.00 C ATOM 1667 C ALA A 109 -2.274 -15.498 2.588 1.00 0.00 C ATOM 1668 O ALA A 109 -1.128 -15.671 3.010 1.00 0.00 O ATOM 1669 CB ALA A 109 -1.985 -16.567 0.341 1.00 0.00 C ATOM 0 H ALA A 109 -1.514 -13.521 1.243 1.00 0.00 H new ATOM 0 HA ALA A 109 -3.619 -15.292 0.926 1.00 0.00 H new ATOM 0 HB1 ALA A 109 -2.426 -17.475 0.753 1.00 0.00 H new ATOM 0 HB2 ALA A 109 -2.229 -16.494 -0.719 1.00 0.00 H new ATOM 0 HB3 ALA A 109 -0.902 -16.602 0.462 1.00 0.00 H new