USER MOD reduce.3.24.130724 H: found=0, std=0, add=818, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 815 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 23 HIS : no HD1:sc= 0.839 K(o=3.2,f=-8.9!) USER MOD Set 1.2: A 35 HIS : no HD1:sc= 2.19 K(o=3.2,f=-9.8!) USER MOD Set 1.3: A 113 CYS SG : rot 82:sc= 0.128 USER MOD Set 2.1: A 109 THR OG1 : rot 127:sc= 0.392 USER MOD Set 2.2: A 112 ASN : amide:sc= 0.933 K(o=1.3,f=-0.83!) USER MOD Set 3.1: A 80 HIS : no HD1:sc= 0.986 K(o=3.5,f=-6.7!) USER MOD Set 3.2: A 83 LYS NZ :NH3+ 156:sc= 2.52 (180deg=1) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 TYR OH : rot 180:sc= 0.441 USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ 153:sc= 0.941 (180deg=0.46) USER MOD Single : A 62 LYS NZ :NH3+ -165:sc= 1.29 (180deg=1.25) USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot 80:sc= 0.617 USER MOD Single : A 73 LYS NZ :NH3+ -150:sc= 1.48 (180deg=0.488) USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 75 GLN : amide:sc= 1.36 K(o=1.4,f=-1.1) USER MOD Single : A 77 ASN : amide:sc= 0.344 K(o=0.34,f=-1.4!) USER MOD Single : A 78 ASN : amide:sc= 2.05 K(o=2,f=-5.4!) USER MOD Single : A 79 LYS NZ :NH3+ -156:sc= 1.31 (180deg=1.25) USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 SER OG : rot 72:sc= 2.13 USER MOD Single : A 89 CYS SG : rot -102:sc= 0.202 USER MOD Single : A 90 SER OG : rot 180:sc= 0.00422 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 GLN : amide:sc= -0.152 X(o=-0.15,f=-0.15) USER MOD Single : A 102 GLN : amide:sc= -0.912 X(o=-0.91,f=-0.48) USER MOD Single : A 106 TYR OH : rot 180:sc= 0 USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 SER OG : rot 180:sc= 0.0746 USER MOD Single : A 115 HIS : no HD1:sc= -0.109 K(o=-0.11,f=-2.5!) USER MOD Single : A 118 ASN : amide:sc= 1.07 K(o=1.1,f=-1.3) USER MOD Single : A 122 TYR OH : rot 165:sc= 0.65 USER MOD ----------------------------------------------------------------- ATOM 116 N PRO A 8 6.837 -4.004 9.285 1.00 0.00 N ATOM 117 CA PRO A 8 6.074 -5.233 9.043 1.00 0.00 C ATOM 118 C PRO A 8 6.018 -6.125 10.291 1.00 0.00 C ATOM 119 O PRO A 8 6.964 -6.136 11.089 1.00 0.00 O ATOM 120 CB PRO A 8 6.795 -5.961 7.902 1.00 0.00 C ATOM 121 CG PRO A 8 7.523 -4.839 7.169 1.00 0.00 C ATOM 122 CD PRO A 8 7.897 -3.878 8.297 1.00 0.00 C ATOM 0 HA PRO A 8 5.041 -4.997 8.789 1.00 0.00 H new ATOM 0 HB2 PRO A 8 7.490 -6.711 8.280 1.00 0.00 H new ATOM 0 HB3 PRO A 8 6.093 -6.478 7.248 1.00 0.00 H new ATOM 0 HG2 PRO A 8 8.404 -5.206 6.643 1.00 0.00 H new ATOM 0 HG3 PRO A 8 6.884 -4.361 6.426 1.00 0.00 H new ATOM 0 HD2 PRO A 8 8.865 -4.135 8.726 1.00 0.00 H new ATOM 0 HD3 PRO A 8 7.972 -2.854 7.931 1.00 0.00 H new ATOM 130 N LYS A 9 4.959 -6.929 10.435 1.00 0.00 N ATOM 131 CA LYS A 9 4.799 -7.851 11.561 1.00 0.00 C ATOM 132 C LYS A 9 4.569 -9.262 11.022 1.00 0.00 C ATOM 133 O LYS A 9 3.883 -9.411 10.007 1.00 0.00 O ATOM 134 CB LYS A 9 3.617 -7.435 12.450 1.00 0.00 C ATOM 135 CG LYS A 9 3.837 -6.072 13.131 1.00 0.00 C ATOM 136 CD LYS A 9 2.733 -5.721 14.140 1.00 0.00 C ATOM 137 CE LYS A 9 1.363 -5.547 13.465 1.00 0.00 C ATOM 138 NZ LYS A 9 0.310 -5.148 14.432 1.00 0.00 N ATOM 0 H LYS A 9 4.186 -6.957 9.770 1.00 0.00 H new ATOM 0 HA LYS A 9 5.704 -7.825 12.168 1.00 0.00 H new ATOM 0 HB2 LYS A 9 2.711 -7.393 11.846 1.00 0.00 H new ATOM 0 HB3 LYS A 9 3.456 -8.196 13.213 1.00 0.00 H new ATOM 0 HG2 LYS A 9 4.800 -6.078 13.642 1.00 0.00 H new ATOM 0 HG3 LYS A 9 3.886 -5.295 12.369 1.00 0.00 H new ATOM 0 HD2 LYS A 9 2.668 -6.507 14.893 1.00 0.00 H new ATOM 0 HD3 LYS A 9 2.999 -4.801 14.661 1.00 0.00 H new ATOM 0 HE2 LYS A 9 1.439 -4.793 12.681 1.00 0.00 H new ATOM 0 HE3 LYS A 9 1.076 -6.481 12.982 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -0.597 -5.042 13.934 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 0.218 -5.879 15.166 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 0.570 -4.243 14.874 1.00 0.00 H new ATOM 152 N PRO A 10 5.133 -10.305 11.656 1.00 0.00 N ATOM 153 CA PRO A 10 4.793 -11.689 11.354 1.00 0.00 C ATOM 154 C PRO A 10 3.269 -11.866 11.286 1.00 0.00 C ATOM 155 O PRO A 10 2.535 -11.337 12.123 1.00 0.00 O ATOM 156 CB PRO A 10 5.456 -12.512 12.462 1.00 0.00 C ATOM 157 CG PRO A 10 6.670 -11.668 12.842 1.00 0.00 C ATOM 158 CD PRO A 10 6.128 -10.247 12.717 1.00 0.00 C ATOM 0 HA PRO A 10 5.152 -12.016 10.378 1.00 0.00 H new ATOM 0 HB2 PRO A 10 4.787 -12.660 13.310 1.00 0.00 H new ATOM 0 HB3 PRO A 10 5.747 -13.501 12.110 1.00 0.00 H new ATOM 0 HG2 PRO A 10 7.016 -11.884 13.853 1.00 0.00 H new ATOM 0 HG3 PRO A 10 7.513 -11.843 12.173 1.00 0.00 H new ATOM 0 HD2 PRO A 10 5.684 -9.912 13.654 1.00 0.00 H new ATOM 0 HD3 PRO A 10 6.923 -9.543 12.472 1.00 0.00 H new ATOM 166 N GLY A 11 2.797 -12.574 10.262 1.00 0.00 N ATOM 167 CA GLY A 11 1.394 -12.685 9.897 1.00 0.00 C ATOM 168 C GLY A 11 1.022 -11.773 8.722 1.00 0.00 C ATOM 169 O GLY A 11 -0.091 -11.884 8.210 1.00 0.00 O ATOM 0 H GLY A 11 3.409 -13.105 9.642 1.00 0.00 H new ATOM 0 HA2 GLY A 11 1.170 -13.719 9.636 1.00 0.00 H new ATOM 0 HA3 GLY A 11 0.776 -12.433 10.759 1.00 0.00 H new ATOM 173 N ASP A 12 1.889 -10.853 8.286 1.00 0.00 N ATOM 174 CA ASP A 12 1.584 -9.971 7.156 1.00 0.00 C ATOM 175 C ASP A 12 1.755 -10.702 5.830 1.00 0.00 C ATOM 176 O ASP A 12 2.698 -11.479 5.651 1.00 0.00 O ATOM 177 CB ASP A 12 2.439 -8.693 7.180 1.00 0.00 C ATOM 178 CG ASP A 12 1.914 -7.630 8.160 1.00 0.00 C ATOM 179 OD1 ASP A 12 0.686 -7.614 8.435 1.00 0.00 O ATOM 180 OD2 ASP A 12 2.718 -6.777 8.601 1.00 0.00 O ATOM 0 H ASP A 12 2.809 -10.700 8.700 1.00 0.00 H new ATOM 0 HA ASP A 12 0.540 -9.673 7.256 1.00 0.00 H new ATOM 0 HB2 ASP A 12 3.462 -8.953 7.451 1.00 0.00 H new ATOM 0 HB3 ASP A 12 2.473 -8.268 6.177 1.00 0.00 H new ATOM 185 N LEU A 13 0.841 -10.432 4.892 1.00 0.00 N ATOM 186 CA LEU A 13 0.979 -10.845 3.504 1.00 0.00 C ATOM 187 C LEU A 13 2.121 -10.042 2.896 1.00 0.00 C ATOM 188 O LEU A 13 2.161 -8.817 3.040 1.00 0.00 O ATOM 189 CB LEU A 13 -0.280 -10.541 2.669 1.00 0.00 C ATOM 190 CG LEU A 13 -1.588 -11.298 2.971 1.00 0.00 C ATOM 191 CD1 LEU A 13 -2.516 -11.173 1.762 1.00 0.00 C ATOM 192 CD2 LEU A 13 -1.327 -12.771 3.264 1.00 0.00 C ATOM 0 H LEU A 13 -0.019 -9.917 5.083 1.00 0.00 H new ATOM 0 HA LEU A 13 1.152 -11.921 3.490 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -0.488 -9.476 2.767 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -0.031 -10.722 1.623 1.00 0.00 H new ATOM 0 HG LEU A 13 -2.048 -10.860 3.856 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -3.447 -11.704 1.961 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -2.732 -10.121 1.576 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -2.032 -11.605 0.886 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -2.272 -13.273 3.472 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -0.852 -13.235 2.400 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -0.670 -12.859 4.130 1.00 0.00 H new ATOM 204 N ILE A 14 2.977 -10.711 2.136 1.00 0.00 N ATOM 205 CA ILE A 14 4.070 -10.112 1.393 1.00 0.00 C ATOM 206 C ILE A 14 3.778 -10.372 -0.079 1.00 0.00 C ATOM 207 O ILE A 14 3.355 -11.468 -0.456 1.00 0.00 O ATOM 208 CB ILE A 14 5.409 -10.760 1.825 1.00 0.00 C ATOM 209 CG1 ILE A 14 5.711 -10.595 3.331 1.00 0.00 C ATOM 210 CG2 ILE A 14 6.589 -10.256 0.974 1.00 0.00 C ATOM 211 CD1 ILE A 14 5.902 -9.148 3.799 1.00 0.00 C ATOM 0 H ILE A 14 2.925 -11.723 2.018 1.00 0.00 H new ATOM 0 HA ILE A 14 4.156 -9.042 1.581 1.00 0.00 H new ATOM 0 HB ILE A 14 5.287 -11.828 1.645 1.00 0.00 H new ATOM 0 HG12 ILE A 14 4.895 -11.040 3.901 1.00 0.00 H new ATOM 0 HG13 ILE A 14 6.612 -11.160 3.569 1.00 0.00 H new ATOM 0 HG21 ILE A 14 7.509 -10.734 1.309 1.00 0.00 H new ATOM 0 HG22 ILE A 14 6.413 -10.501 -0.073 1.00 0.00 H new ATOM 0 HG23 ILE A 14 6.681 -9.175 1.083 1.00 0.00 H new ATOM 0 HD11 ILE A 14 6.109 -9.136 4.869 1.00 0.00 H new ATOM 0 HD12 ILE A 14 6.738 -8.699 3.262 1.00 0.00 H new ATOM 0 HD13 ILE A 14 4.995 -8.578 3.599 1.00 0.00 H new ATOM 223 N GLU A 15 4.061 -9.383 -0.917 1.00 0.00 N ATOM 224 CA GLU A 15 4.096 -9.547 -2.352 1.00 0.00 C ATOM 225 C GLU A 15 5.515 -9.204 -2.785 1.00 0.00 C ATOM 226 O GLU A 15 6.165 -8.332 -2.208 1.00 0.00 O ATOM 227 CB GLU A 15 3.021 -8.714 -3.056 1.00 0.00 C ATOM 228 CG GLU A 15 3.350 -7.217 -3.174 1.00 0.00 C ATOM 229 CD GLU A 15 2.231 -6.433 -3.881 1.00 0.00 C ATOM 230 OE1 GLU A 15 1.367 -7.039 -4.560 1.00 0.00 O ATOM 231 OE2 GLU A 15 2.220 -5.189 -3.757 1.00 0.00 O ATOM 0 H GLU A 15 4.274 -8.435 -0.608 1.00 0.00 H new ATOM 0 HA GLU A 15 3.858 -10.571 -2.641 1.00 0.00 H new ATOM 0 HB2 GLU A 15 2.863 -9.118 -4.056 1.00 0.00 H new ATOM 0 HB3 GLU A 15 2.081 -8.825 -2.515 1.00 0.00 H new ATOM 0 HG2 GLU A 15 3.510 -6.802 -2.179 1.00 0.00 H new ATOM 0 HG3 GLU A 15 4.282 -7.093 -3.725 1.00 0.00 H new ATOM 238 N ILE A 16 5.985 -9.899 -3.805 1.00 0.00 N ATOM 239 CA ILE A 16 7.340 -9.884 -4.303 1.00 0.00 C ATOM 240 C ILE A 16 7.191 -9.360 -5.722 1.00 0.00 C ATOM 241 O ILE A 16 6.593 -10.030 -6.562 1.00 0.00 O ATOM 242 CB ILE A 16 7.924 -11.315 -4.282 1.00 0.00 C ATOM 243 CG1 ILE A 16 7.784 -12.078 -2.944 1.00 0.00 C ATOM 244 CG2 ILE A 16 9.382 -11.266 -4.755 1.00 0.00 C ATOM 245 CD1 ILE A 16 8.660 -11.554 -1.807 1.00 0.00 C ATOM 0 H ILE A 16 5.387 -10.529 -4.340 1.00 0.00 H new ATOM 0 HA ILE A 16 8.020 -9.273 -3.709 1.00 0.00 H new ATOM 0 HB ILE A 16 7.314 -11.902 -4.969 1.00 0.00 H new ATOM 0 HG12 ILE A 16 6.742 -12.038 -2.628 1.00 0.00 H new ATOM 0 HG13 ILE A 16 8.025 -13.127 -3.114 1.00 0.00 H new ATOM 0 HG21 ILE A 16 9.802 -12.272 -4.743 1.00 0.00 H new ATOM 0 HG22 ILE A 16 9.422 -10.868 -5.769 1.00 0.00 H new ATOM 0 HG23 ILE A 16 9.959 -10.624 -4.090 1.00 0.00 H new ATOM 0 HD11 ILE A 16 8.491 -12.153 -0.912 1.00 0.00 H new ATOM 0 HD12 ILE A 16 9.709 -11.620 -2.096 1.00 0.00 H new ATOM 0 HD13 ILE A 16 8.406 -10.514 -1.601 1.00 0.00 H new ATOM 257 N PHE A 17 7.668 -8.152 -5.989 1.00 0.00 N ATOM 258 CA PHE A 17 7.688 -7.644 -7.356 1.00 0.00 C ATOM 259 C PHE A 17 8.834 -8.337 -8.091 1.00 0.00 C ATOM 260 O PHE A 17 9.933 -8.474 -7.547 1.00 0.00 O ATOM 261 CB PHE A 17 7.795 -6.112 -7.355 1.00 0.00 C ATOM 262 CG PHE A 17 6.475 -5.348 -7.270 1.00 0.00 C ATOM 263 CD1 PHE A 17 5.254 -5.974 -6.925 1.00 0.00 C ATOM 264 CD2 PHE A 17 6.467 -3.978 -7.599 1.00 0.00 C ATOM 265 CE1 PHE A 17 4.046 -5.257 -6.975 1.00 0.00 C ATOM 266 CE2 PHE A 17 5.262 -3.253 -7.616 1.00 0.00 C ATOM 267 CZ PHE A 17 4.049 -3.895 -7.319 1.00 0.00 C ATOM 0 H PHE A 17 8.042 -7.512 -5.288 1.00 0.00 H new ATOM 0 HA PHE A 17 6.760 -7.869 -7.882 1.00 0.00 H new ATOM 0 HB2 PHE A 17 8.420 -5.812 -6.514 1.00 0.00 H new ATOM 0 HB3 PHE A 17 8.313 -5.803 -8.263 1.00 0.00 H new ATOM 0 HD1 PHE A 17 5.250 -7.010 -6.621 1.00 0.00 H new ATOM 0 HD2 PHE A 17 7.395 -3.480 -7.840 1.00 0.00 H new ATOM 0 HE1 PHE A 17 3.114 -5.754 -6.749 1.00 0.00 H new ATOM 0 HE2 PHE A 17 5.270 -2.200 -7.858 1.00 0.00 H new ATOM 0 HZ PHE A 17 3.121 -3.343 -7.355 1.00 0.00 H new ATOM 277 N ARG A 18 8.570 -8.807 -9.315 1.00 0.00 N ATOM 278 CA ARG A 18 9.476 -9.661 -10.075 1.00 0.00 C ATOM 279 C ARG A 18 9.618 -9.154 -11.515 1.00 0.00 C ATOM 280 O ARG A 18 8.863 -8.266 -11.915 1.00 0.00 O ATOM 281 CB ARG A 18 8.936 -11.104 -9.987 1.00 0.00 C ATOM 282 CG ARG A 18 9.179 -11.687 -8.589 1.00 0.00 C ATOM 283 CD ARG A 18 9.477 -13.183 -8.649 1.00 0.00 C ATOM 284 NE ARG A 18 10.076 -13.653 -7.387 1.00 0.00 N ATOM 285 CZ ARG A 18 9.974 -14.875 -6.857 1.00 0.00 C ATOM 286 NH1 ARG A 18 9.254 -15.820 -7.457 1.00 0.00 N ATOM 287 NH2 ARG A 18 10.600 -15.142 -5.714 1.00 0.00 N ATOM 0 H ARG A 18 7.703 -8.598 -9.810 1.00 0.00 H new ATOM 0 HA ARG A 18 10.484 -9.639 -9.661 1.00 0.00 H new ATOM 0 HB2 ARG A 18 7.869 -11.113 -10.210 1.00 0.00 H new ATOM 0 HB3 ARG A 18 9.424 -11.727 -10.737 1.00 0.00 H new ATOM 0 HG2 ARG A 18 10.013 -11.168 -8.117 1.00 0.00 H new ATOM 0 HG3 ARG A 18 8.302 -11.515 -7.965 1.00 0.00 H new ATOM 0 HD2 ARG A 18 8.557 -13.733 -8.846 1.00 0.00 H new ATOM 0 HD3 ARG A 18 10.155 -13.389 -9.477 1.00 0.00 H new ATOM 0 HE ARG A 18 10.627 -12.973 -6.863 1.00 0.00 H new ATOM 0 HH11 ARG A 18 8.772 -15.615 -8.332 1.00 0.00 H new ATOM 0 HH12 ARG A 18 9.184 -16.749 -7.042 1.00 0.00 H new ATOM 0 HH21 ARG A 18 11.150 -14.418 -5.252 1.00 0.00 H new ATOM 0 HH22 ARG A 18 10.530 -16.071 -5.299 1.00 0.00 H new ATOM 301 N PRO A 19 10.584 -9.679 -12.299 1.00 0.00 N ATOM 302 CA PRO A 19 10.942 -9.134 -13.610 1.00 0.00 C ATOM 303 C PRO A 19 9.790 -8.913 -14.600 1.00 0.00 C ATOM 304 O PRO A 19 9.878 -8.001 -15.426 1.00 0.00 O ATOM 305 CB PRO A 19 11.986 -10.097 -14.180 1.00 0.00 C ATOM 306 CG PRO A 19 12.698 -10.607 -12.930 1.00 0.00 C ATOM 307 CD PRO A 19 11.571 -10.686 -11.901 1.00 0.00 C ATOM 0 HA PRO A 19 11.312 -8.119 -13.466 1.00 0.00 H new ATOM 0 HB2 PRO A 19 11.523 -10.909 -14.741 1.00 0.00 H new ATOM 0 HB3 PRO A 19 12.673 -9.592 -14.859 1.00 0.00 H new ATOM 0 HG2 PRO A 19 13.161 -11.580 -13.097 1.00 0.00 H new ATOM 0 HG3 PRO A 19 13.489 -9.928 -12.611 1.00 0.00 H new ATOM 0 HD2 PRO A 19 11.127 -11.681 -11.885 1.00 0.00 H new ATOM 0 HD3 PRO A 19 11.946 -10.488 -10.897 1.00 0.00 H new ATOM 315 N PHE A 20 8.726 -9.722 -14.534 1.00 0.00 N ATOM 316 CA PHE A 20 7.611 -9.673 -15.488 1.00 0.00 C ATOM 317 C PHE A 20 6.244 -9.931 -14.822 1.00 0.00 C ATOM 318 O PHE A 20 5.230 -10.029 -15.516 1.00 0.00 O ATOM 319 CB PHE A 20 7.910 -10.684 -16.615 1.00 0.00 C ATOM 320 CG PHE A 20 7.071 -10.529 -17.873 1.00 0.00 C ATOM 321 CD1 PHE A 20 7.239 -9.396 -18.694 1.00 0.00 C ATOM 322 CD2 PHE A 20 6.137 -11.520 -18.237 1.00 0.00 C ATOM 323 CE1 PHE A 20 6.472 -9.251 -19.865 1.00 0.00 C ATOM 324 CE2 PHE A 20 5.371 -11.374 -19.408 1.00 0.00 C ATOM 325 CZ PHE A 20 5.538 -10.239 -20.223 1.00 0.00 C ATOM 0 H PHE A 20 8.613 -10.434 -13.812 1.00 0.00 H new ATOM 0 HA PHE A 20 7.532 -8.667 -15.901 1.00 0.00 H new ATOM 0 HB2 PHE A 20 8.962 -10.597 -16.888 1.00 0.00 H new ATOM 0 HB3 PHE A 20 7.764 -11.691 -16.224 1.00 0.00 H new ATOM 0 HD1 PHE A 20 7.958 -8.637 -18.424 1.00 0.00 H new ATOM 0 HD2 PHE A 20 6.009 -12.394 -17.615 1.00 0.00 H new ATOM 0 HE1 PHE A 20 6.601 -8.379 -20.490 1.00 0.00 H new ATOM 0 HE2 PHE A 20 4.654 -12.134 -19.682 1.00 0.00 H new ATOM 0 HZ PHE A 20 4.950 -10.127 -21.122 1.00 0.00 H new ATOM 335 N TYR A 21 6.193 -10.064 -13.491 1.00 0.00 N ATOM 336 CA TYR A 21 4.988 -10.410 -12.733 1.00 0.00 C ATOM 337 C TYR A 21 5.195 -10.027 -11.263 1.00 0.00 C ATOM 338 O TYR A 21 6.142 -9.307 -10.933 1.00 0.00 O ATOM 339 CB TYR A 21 4.638 -11.908 -12.909 1.00 0.00 C ATOM 340 CG TYR A 21 5.398 -12.928 -12.067 1.00 0.00 C ATOM 341 CD1 TYR A 21 6.806 -12.995 -12.093 1.00 0.00 C ATOM 342 CD2 TYR A 21 4.679 -13.846 -11.275 1.00 0.00 C ATOM 343 CE1 TYR A 21 7.483 -13.982 -11.354 1.00 0.00 C ATOM 344 CE2 TYR A 21 5.349 -14.822 -10.518 1.00 0.00 C ATOM 345 CZ TYR A 21 6.758 -14.899 -10.558 1.00 0.00 C ATOM 346 OH TYR A 21 7.424 -15.836 -9.824 1.00 0.00 O ATOM 0 H TYR A 21 7.011 -9.930 -12.897 1.00 0.00 H new ATOM 0 HA TYR A 21 4.135 -9.849 -13.115 1.00 0.00 H new ATOM 0 HB2 TYR A 21 3.575 -12.029 -12.700 1.00 0.00 H new ATOM 0 HB3 TYR A 21 4.787 -12.164 -13.958 1.00 0.00 H new ATOM 0 HD1 TYR A 21 7.367 -12.285 -12.683 1.00 0.00 H new ATOM 0 HD2 TYR A 21 3.600 -13.799 -11.250 1.00 0.00 H new ATOM 0 HE1 TYR A 21 8.561 -14.040 -11.395 1.00 0.00 H new ATOM 0 HE2 TYR A 21 4.787 -15.512 -9.906 1.00 0.00 H new ATOM 0 HH TYR A 21 6.779 -16.386 -9.333 1.00 0.00 H new ATOM 356 N ARG A 22 4.339 -10.517 -10.363 1.00 0.00 N ATOM 357 CA ARG A 22 4.558 -10.429 -8.928 1.00 0.00 C ATOM 358 C ARG A 22 4.141 -11.751 -8.308 1.00 0.00 C ATOM 359 O ARG A 22 3.237 -12.423 -8.804 1.00 0.00 O ATOM 360 CB ARG A 22 3.870 -9.197 -8.301 1.00 0.00 C ATOM 361 CG ARG A 22 2.356 -9.053 -8.517 1.00 0.00 C ATOM 362 CD ARG A 22 1.520 -9.795 -7.467 1.00 0.00 C ATOM 363 NE ARG A 22 0.084 -9.676 -7.789 1.00 0.00 N ATOM 364 CZ ARG A 22 -0.733 -8.661 -7.462 1.00 0.00 C ATOM 365 NH1 ARG A 22 -0.374 -7.701 -6.612 1.00 0.00 N ATOM 366 NH2 ARG A 22 -1.943 -8.607 -8.012 1.00 0.00 N ATOM 0 H ARG A 22 3.471 -10.988 -10.617 1.00 0.00 H new ATOM 0 HA ARG A 22 5.615 -10.267 -8.719 1.00 0.00 H new ATOM 0 HB2 ARG A 22 4.058 -9.215 -7.227 1.00 0.00 H new ATOM 0 HB3 ARG A 22 4.354 -8.303 -8.694 1.00 0.00 H new ATOM 0 HG2 ARG A 22 2.093 -7.995 -8.500 1.00 0.00 H new ATOM 0 HG3 ARG A 22 2.100 -9.429 -9.507 1.00 0.00 H new ATOM 0 HD2 ARG A 22 1.808 -10.846 -7.437 1.00 0.00 H new ATOM 0 HD3 ARG A 22 1.715 -9.382 -6.477 1.00 0.00 H new ATOM 0 HE ARG A 22 -0.331 -10.445 -8.315 1.00 0.00 H new ATOM 0 HH11 ARG A 22 0.551 -7.719 -6.183 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -1.024 -6.947 -6.390 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -2.237 -9.329 -8.670 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -2.577 -7.844 -7.776 1.00 0.00 H new ATOM 380 N HIS A 23 4.802 -12.104 -7.218 1.00 0.00 N ATOM 381 CA HIS A 23 4.638 -13.354 -6.492 1.00 0.00 C ATOM 382 C HIS A 23 4.216 -13.027 -5.059 1.00 0.00 C ATOM 383 O HIS A 23 4.196 -11.854 -4.686 1.00 0.00 O ATOM 384 CB HIS A 23 5.961 -14.138 -6.590 1.00 0.00 C ATOM 385 CG HIS A 23 6.012 -15.406 -5.779 1.00 0.00 C ATOM 386 ND1 HIS A 23 5.041 -16.408 -5.788 1.00 0.00 N ATOM 387 CD2 HIS A 23 6.979 -15.723 -4.869 1.00 0.00 C ATOM 388 CE1 HIS A 23 5.463 -17.317 -4.890 1.00 0.00 C ATOM 389 NE2 HIS A 23 6.619 -16.932 -4.329 1.00 0.00 N ATOM 0 H HIS A 23 5.503 -11.496 -6.794 1.00 0.00 H new ATOM 0 HA HIS A 23 3.857 -13.988 -6.913 1.00 0.00 H new ATOM 0 HB2 HIS A 23 6.142 -14.386 -7.636 1.00 0.00 H new ATOM 0 HB3 HIS A 23 6.776 -13.488 -6.271 1.00 0.00 H new ATOM 0 HD2 HIS A 23 7.853 -15.139 -4.623 1.00 0.00 H new ATOM 0 HE1 HIS A 23 4.942 -18.233 -4.653 1.00 0.00 H new ATOM 0 HE2 HIS A 23 7.141 -17.449 -3.622 1.00 0.00 H new ATOM 397 N TRP A 24 3.847 -14.025 -4.256 1.00 0.00 N ATOM 398 CA TRP A 24 3.247 -13.821 -2.945 1.00 0.00 C ATOM 399 C TRP A 24 3.820 -14.793 -1.926 1.00 0.00 C ATOM 400 O TRP A 24 4.120 -15.945 -2.247 1.00 0.00 O ATOM 401 CB TRP A 24 1.731 -13.984 -3.043 1.00 0.00 C ATOM 402 CG TRP A 24 1.023 -12.842 -3.689 1.00 0.00 C ATOM 403 CD1 TRP A 24 0.837 -12.651 -5.013 1.00 0.00 C ATOM 404 CD2 TRP A 24 0.382 -11.712 -3.032 1.00 0.00 C ATOM 405 NE1 TRP A 24 0.130 -11.483 -5.212 1.00 0.00 N ATOM 406 CE2 TRP A 24 -0.207 -10.877 -4.023 1.00 0.00 C ATOM 407 CE3 TRP A 24 0.228 -11.330 -1.687 1.00 0.00 C ATOM 408 CZ2 TRP A 24 -0.947 -9.733 -3.692 1.00 0.00 C ATOM 409 CZ3 TRP A 24 -0.509 -10.184 -1.342 1.00 0.00 C ATOM 410 CH2 TRP A 24 -1.104 -9.394 -2.339 1.00 0.00 C ATOM 0 H TRP A 24 3.959 -15.008 -4.504 1.00 0.00 H new ATOM 0 HA TRP A 24 3.479 -12.810 -2.609 1.00 0.00 H new ATOM 0 HB2 TRP A 24 1.512 -14.893 -3.603 1.00 0.00 H new ATOM 0 HB3 TRP A 24 1.328 -14.123 -2.040 1.00 0.00 H new ATOM 0 HD1 TRP A 24 1.187 -13.310 -5.794 1.00 0.00 H new ATOM 0 HE1 TRP A 24 -0.114 -11.113 -6.131 1.00 0.00 H new ATOM 0 HE3 TRP A 24 0.682 -11.925 -0.909 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 -1.389 -9.123 -4.466 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 -0.618 -9.909 -0.303 1.00 0.00 H new ATOM 0 HH2 TRP A 24 -1.683 -8.525 -2.064 1.00 0.00 H new ATOM 421 N ALA A 25 3.928 -14.316 -0.690 1.00 0.00 N ATOM 422 CA ALA A 25 4.474 -15.014 0.459 1.00 0.00 C ATOM 423 C ALA A 25 3.770 -14.484 1.717 1.00 0.00 C ATOM 424 O ALA A 25 2.993 -13.530 1.645 1.00 0.00 O ATOM 425 CB ALA A 25 5.985 -14.750 0.505 1.00 0.00 C ATOM 0 H ALA A 25 3.616 -13.374 -0.454 1.00 0.00 H new ATOM 0 HA ALA A 25 4.312 -16.090 0.397 1.00 0.00 H new ATOM 0 HB1 ALA A 25 6.418 -15.265 1.362 1.00 0.00 H new ATOM 0 HB2 ALA A 25 6.447 -15.118 -0.411 1.00 0.00 H new ATOM 0 HB3 ALA A 25 6.165 -13.679 0.597 1.00 0.00 H new ATOM 431 N ILE A 26 4.039 -15.070 2.881 1.00 0.00 N ATOM 432 CA ILE A 26 3.495 -14.617 4.149 1.00 0.00 C ATOM 433 C ILE A 26 4.631 -14.603 5.165 1.00 0.00 C ATOM 434 O ILE A 26 5.415 -15.550 5.225 1.00 0.00 O ATOM 435 CB ILE A 26 2.300 -15.517 4.514 1.00 0.00 C ATOM 436 CG1 ILE A 26 1.396 -14.797 5.528 1.00 0.00 C ATOM 437 CG2 ILE A 26 2.687 -16.934 4.974 1.00 0.00 C ATOM 438 CD1 ILE A 26 0.062 -15.525 5.654 1.00 0.00 C ATOM 0 H ILE A 26 4.649 -15.883 2.966 1.00 0.00 H new ATOM 0 HA ILE A 26 3.101 -13.601 4.114 1.00 0.00 H new ATOM 0 HB ILE A 26 1.740 -15.686 3.594 1.00 0.00 H new ATOM 0 HG12 ILE A 26 1.889 -14.755 6.499 1.00 0.00 H new ATOM 0 HG13 ILE A 26 1.228 -13.768 5.210 1.00 0.00 H new ATOM 0 HG21 ILE A 26 1.785 -17.499 5.211 1.00 0.00 H new ATOM 0 HG22 ILE A 26 3.233 -17.439 4.177 1.00 0.00 H new ATOM 0 HG23 ILE A 26 3.318 -16.869 5.861 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -0.569 -15.006 6.375 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -0.435 -15.544 4.684 1.00 0.00 H new ATOM 0 HD13 ILE A 26 0.235 -16.546 5.993 1.00 0.00 H new ATOM 450 N TYR A 27 4.770 -13.506 5.903 1.00 0.00 N ATOM 451 CA TYR A 27 5.838 -13.292 6.866 1.00 0.00 C ATOM 452 C TYR A 27 5.526 -14.132 8.102 1.00 0.00 C ATOM 453 O TYR A 27 4.387 -14.124 8.568 1.00 0.00 O ATOM 454 CB TYR A 27 5.892 -11.780 7.157 1.00 0.00 C ATOM 455 CG TYR A 27 7.198 -11.194 7.671 1.00 0.00 C ATOM 456 CD1 TYR A 27 8.436 -11.548 7.098 1.00 0.00 C ATOM 457 CD2 TYR A 27 7.156 -10.172 8.637 1.00 0.00 C ATOM 458 CE1 TYR A 27 9.618 -10.904 7.500 1.00 0.00 C ATOM 459 CE2 TYR A 27 8.333 -9.533 9.063 1.00 0.00 C ATOM 460 CZ TYR A 27 9.575 -9.898 8.492 1.00 0.00 C ATOM 461 OH TYR A 27 10.728 -9.273 8.865 1.00 0.00 O ATOM 0 H TYR A 27 4.122 -12.720 5.844 1.00 0.00 H new ATOM 0 HA TYR A 27 6.818 -13.600 6.502 1.00 0.00 H new ATOM 0 HB2 TYR A 27 5.630 -11.254 6.239 1.00 0.00 H new ATOM 0 HB3 TYR A 27 5.115 -11.553 7.887 1.00 0.00 H new ATOM 0 HD1 TYR A 27 8.476 -12.320 6.344 1.00 0.00 H new ATOM 0 HD2 TYR A 27 6.206 -9.875 9.057 1.00 0.00 H new ATOM 0 HE1 TYR A 27 10.561 -11.178 7.050 1.00 0.00 H new ATOM 0 HE2 TYR A 27 8.290 -8.767 9.823 1.00 0.00 H new ATOM 0 HH TYR A 27 10.530 -8.606 9.556 1.00 0.00 H new ATOM 471 N VAL A 28 6.508 -14.851 8.644 1.00 0.00 N ATOM 472 CA VAL A 28 6.298 -15.791 9.758 1.00 0.00 C ATOM 473 C VAL A 28 7.317 -15.615 10.892 1.00 0.00 C ATOM 474 O VAL A 28 7.212 -16.270 11.929 1.00 0.00 O ATOM 475 CB VAL A 28 6.259 -17.250 9.253 1.00 0.00 C ATOM 476 CG1 VAL A 28 5.066 -17.499 8.320 1.00 0.00 C ATOM 477 CG2 VAL A 28 7.558 -17.666 8.544 1.00 0.00 C ATOM 0 H VAL A 28 7.476 -14.802 8.326 1.00 0.00 H new ATOM 0 HA VAL A 28 5.325 -15.552 10.187 1.00 0.00 H new ATOM 0 HB VAL A 28 6.147 -17.866 10.146 1.00 0.00 H new ATOM 0 HG11 VAL A 28 5.075 -18.537 7.987 1.00 0.00 H new ATOM 0 HG12 VAL A 28 4.138 -17.297 8.855 1.00 0.00 H new ATOM 0 HG13 VAL A 28 5.137 -16.840 7.455 1.00 0.00 H new ATOM 0 HG21 VAL A 28 7.475 -18.700 8.210 1.00 0.00 H new ATOM 0 HG22 VAL A 28 7.726 -17.019 7.683 1.00 0.00 H new ATOM 0 HG23 VAL A 28 8.395 -17.574 9.236 1.00 0.00 H new ATOM 487 N GLY A 29 8.281 -14.716 10.723 1.00 0.00 N ATOM 488 CA GLY A 29 9.280 -14.361 11.715 1.00 0.00 C ATOM 489 C GLY A 29 9.971 -13.099 11.228 1.00 0.00 C ATOM 490 O GLY A 29 9.693 -12.639 10.121 1.00 0.00 O ATOM 0 H GLY A 29 8.389 -14.195 9.853 1.00 0.00 H new ATOM 0 HA2 GLY A 29 8.815 -14.194 12.686 1.00 0.00 H new ATOM 0 HA3 GLY A 29 10.000 -15.169 11.841 1.00 0.00 H new ATOM 494 N ASP A 30 10.866 -12.532 12.035 1.00 0.00 N ATOM 495 CA ASP A 30 11.548 -11.267 11.748 1.00 0.00 C ATOM 496 C ASP A 30 12.672 -11.457 10.711 1.00 0.00 C ATOM 497 O ASP A 30 13.847 -11.188 10.975 1.00 0.00 O ATOM 498 CB ASP A 30 12.045 -10.639 13.061 1.00 0.00 C ATOM 499 CG ASP A 30 12.698 -9.261 12.841 1.00 0.00 C ATOM 500 OD1 ASP A 30 12.136 -8.424 12.100 1.00 0.00 O ATOM 501 OD2 ASP A 30 13.751 -8.982 13.460 1.00 0.00 O ATOM 0 H ASP A 30 11.144 -12.946 12.925 1.00 0.00 H new ATOM 0 HA ASP A 30 10.842 -10.571 11.295 1.00 0.00 H new ATOM 0 HB2 ASP A 30 11.208 -10.536 13.751 1.00 0.00 H new ATOM 0 HB3 ASP A 30 12.765 -11.309 13.531 1.00 0.00 H new ATOM 506 N GLY A 31 12.328 -12.012 9.547 1.00 0.00 N ATOM 507 CA GLY A 31 13.235 -12.241 8.432 1.00 0.00 C ATOM 508 C GLY A 31 12.771 -13.342 7.479 1.00 0.00 C ATOM 509 O GLY A 31 13.289 -13.413 6.368 1.00 0.00 O ATOM 0 H GLY A 31 11.376 -12.323 9.353 1.00 0.00 H new ATOM 0 HA2 GLY A 31 13.350 -11.313 7.872 1.00 0.00 H new ATOM 0 HA3 GLY A 31 14.219 -12.502 8.823 1.00 0.00 H new ATOM 513 N TYR A 32 11.809 -14.190 7.863 1.00 0.00 N ATOM 514 CA TYR A 32 11.455 -15.395 7.111 1.00 0.00 C ATOM 515 C TYR A 32 10.005 -15.367 6.652 1.00 0.00 C ATOM 516 O TYR A 32 9.139 -14.759 7.289 1.00 0.00 O ATOM 517 CB TYR A 32 11.714 -16.648 7.958 1.00 0.00 C ATOM 518 CG TYR A 32 13.181 -17.007 8.067 1.00 0.00 C ATOM 519 CD1 TYR A 32 13.993 -16.362 9.019 1.00 0.00 C ATOM 520 CD2 TYR A 32 13.736 -17.966 7.198 1.00 0.00 C ATOM 521 CE1 TYR A 32 15.361 -16.677 9.108 1.00 0.00 C ATOM 522 CE2 TYR A 32 15.104 -18.282 7.279 1.00 0.00 C ATOM 523 CZ TYR A 32 15.923 -17.639 8.235 1.00 0.00 C ATOM 524 OH TYR A 32 17.249 -17.953 8.304 1.00 0.00 O ATOM 0 H TYR A 32 11.253 -14.057 8.708 1.00 0.00 H new ATOM 0 HA TYR A 32 12.086 -15.424 6.223 1.00 0.00 H new ATOM 0 HB2 TYR A 32 11.311 -16.491 8.958 1.00 0.00 H new ATOM 0 HB3 TYR A 32 11.173 -17.489 7.524 1.00 0.00 H new ATOM 0 HD1 TYR A 32 13.565 -15.624 9.682 1.00 0.00 H new ATOM 0 HD2 TYR A 32 13.111 -18.459 6.469 1.00 0.00 H new ATOM 0 HE1 TYR A 32 15.982 -16.185 9.842 1.00 0.00 H new ATOM 0 HE2 TYR A 32 15.529 -19.016 6.611 1.00 0.00 H new ATOM 0 HH TYR A 32 17.460 -18.633 7.631 1.00 0.00 H new ATOM 534 N VAL A 33 9.746 -16.089 5.565 1.00 0.00 N ATOM 535 CA VAL A 33 8.438 -16.207 4.944 1.00 0.00 C ATOM 536 C VAL A 33 8.120 -17.666 4.631 1.00 0.00 C ATOM 537 O VAL A 33 9.018 -18.496 4.489 1.00 0.00 O ATOM 538 CB VAL A 33 8.363 -15.378 3.644 1.00 0.00 C ATOM 539 CG1 VAL A 33 8.329 -13.871 3.900 1.00 0.00 C ATOM 540 CG2 VAL A 33 9.495 -15.687 2.651 1.00 0.00 C ATOM 0 H VAL A 33 10.467 -16.624 5.080 1.00 0.00 H new ATOM 0 HA VAL A 33 7.704 -15.821 5.651 1.00 0.00 H new ATOM 0 HB VAL A 33 7.419 -15.684 3.194 1.00 0.00 H new ATOM 0 HG11 VAL A 33 8.276 -13.341 2.949 1.00 0.00 H new ATOM 0 HG12 VAL A 33 7.454 -13.624 4.502 1.00 0.00 H new ATOM 0 HG13 VAL A 33 9.232 -13.572 4.432 1.00 0.00 H new ATOM 0 HG21 VAL A 33 9.378 -15.068 1.762 1.00 0.00 H new ATOM 0 HG22 VAL A 33 10.457 -15.474 3.118 1.00 0.00 H new ATOM 0 HG23 VAL A 33 9.454 -16.739 2.369 1.00 0.00 H new ATOM 550 N VAL A 34 6.831 -17.947 4.464 1.00 0.00 N ATOM 551 CA VAL A 34 6.290 -19.173 3.909 1.00 0.00 C ATOM 552 C VAL A 34 5.684 -18.767 2.566 1.00 0.00 C ATOM 553 O VAL A 34 5.078 -17.697 2.457 1.00 0.00 O ATOM 554 CB VAL A 34 5.276 -19.771 4.907 1.00 0.00 C ATOM 555 CG1 VAL A 34 4.330 -20.802 4.281 1.00 0.00 C ATOM 556 CG2 VAL A 34 6.048 -20.413 6.061 1.00 0.00 C ATOM 0 H VAL A 34 6.100 -17.286 4.728 1.00 0.00 H new ATOM 0 HA VAL A 34 7.028 -19.958 3.746 1.00 0.00 H new ATOM 0 HB VAL A 34 4.645 -18.954 5.256 1.00 0.00 H new ATOM 0 HG11 VAL A 34 3.647 -21.178 5.042 1.00 0.00 H new ATOM 0 HG12 VAL A 34 3.758 -20.332 3.480 1.00 0.00 H new ATOM 0 HG13 VAL A 34 4.911 -21.630 3.875 1.00 0.00 H new ATOM 0 HG21 VAL A 34 5.345 -20.841 6.776 1.00 0.00 H new ATOM 0 HG22 VAL A 34 6.695 -21.200 5.673 1.00 0.00 H new ATOM 0 HG23 VAL A 34 6.655 -19.656 6.558 1.00 0.00 H new ATOM 566 N HIS A 35 5.869 -19.579 1.529 1.00 0.00 N ATOM 567 CA HIS A 35 5.358 -19.281 0.193 1.00 0.00 C ATOM 568 C HIS A 35 5.242 -20.551 -0.644 1.00 0.00 C ATOM 569 O HIS A 35 5.765 -21.599 -0.259 1.00 0.00 O ATOM 570 CB HIS A 35 6.259 -18.244 -0.504 1.00 0.00 C ATOM 571 CG HIS A 35 7.607 -18.710 -1.009 1.00 0.00 C ATOM 572 ND1 HIS A 35 8.186 -18.263 -2.201 1.00 0.00 N ATOM 573 CD2 HIS A 35 8.489 -19.540 -0.376 1.00 0.00 C ATOM 574 CE1 HIS A 35 9.391 -18.849 -2.265 1.00 0.00 C ATOM 575 NE2 HIS A 35 9.600 -19.616 -1.186 1.00 0.00 N ATOM 0 H HIS A 35 6.377 -20.462 1.590 1.00 0.00 H new ATOM 0 HA HIS A 35 4.359 -18.858 0.294 1.00 0.00 H new ATOM 0 HB2 HIS A 35 5.707 -17.835 -1.350 1.00 0.00 H new ATOM 0 HB3 HIS A 35 6.427 -17.423 0.193 1.00 0.00 H new ATOM 0 HD2 HIS A 35 8.344 -20.038 0.571 1.00 0.00 H new ATOM 0 HE1 HIS A 35 10.095 -18.721 -3.074 1.00 0.00 H new ATOM 0 HE2 HIS A 35 10.440 -20.163 -0.997 1.00 0.00 H new ATOM 583 N LEU A 36 4.564 -20.464 -1.790 1.00 0.00 N ATOM 584 CA LEU A 36 4.572 -21.538 -2.775 1.00 0.00 C ATOM 585 C LEU A 36 5.843 -21.385 -3.606 1.00 0.00 C ATOM 586 O LEU A 36 6.222 -20.273 -3.975 1.00 0.00 O ATOM 587 CB LEU A 36 3.338 -21.487 -3.696 1.00 0.00 C ATOM 588 CG LEU A 36 2.079 -22.217 -3.206 1.00 0.00 C ATOM 589 CD1 LEU A 36 2.303 -23.719 -2.998 1.00 0.00 C ATOM 590 CD2 LEU A 36 1.523 -21.612 -1.921 1.00 0.00 C ATOM 0 H LEU A 36 4.001 -19.656 -2.056 1.00 0.00 H new ATOM 0 HA LEU A 36 4.543 -22.498 -2.260 1.00 0.00 H new ATOM 0 HB2 LEU A 36 3.081 -20.441 -3.863 1.00 0.00 H new ATOM 0 HB3 LEU A 36 3.618 -21.904 -4.663 1.00 0.00 H new ATOM 0 HG LEU A 36 1.350 -22.086 -4.005 1.00 0.00 H new ATOM 0 HD11 LEU A 36 1.378 -24.180 -2.652 1.00 0.00 H new ATOM 0 HD12 LEU A 36 2.605 -24.176 -3.940 1.00 0.00 H new ATOM 0 HD13 LEU A 36 3.085 -23.871 -2.254 1.00 0.00 H new ATOM 0 HD21 LEU A 36 0.633 -22.163 -1.615 1.00 0.00 H new ATOM 0 HD22 LEU A 36 2.276 -21.673 -1.135 1.00 0.00 H new ATOM 0 HD23 LEU A 36 1.262 -20.568 -2.094 1.00 0.00 H new ATOM 602 N ALA A 37 6.474 -22.511 -3.921 1.00 0.00 N ATOM 603 CA ALA A 37 7.770 -22.599 -4.571 1.00 0.00 C ATOM 604 C ALA A 37 7.792 -23.833 -5.490 1.00 0.00 C ATOM 605 O ALA A 37 6.904 -24.687 -5.377 1.00 0.00 O ATOM 606 CB ALA A 37 8.826 -22.706 -3.464 1.00 0.00 C ATOM 0 H ALA A 37 6.075 -23.428 -3.719 1.00 0.00 H new ATOM 0 HA ALA A 37 7.974 -21.724 -5.188 1.00 0.00 H new ATOM 0 HB1 ALA A 37 9.817 -22.774 -3.912 1.00 0.00 H new ATOM 0 HB2 ALA A 37 8.776 -21.823 -2.827 1.00 0.00 H new ATOM 0 HB3 ALA A 37 8.636 -23.597 -2.865 1.00 0.00 H new ATOM 612 N PRO A 38 8.772 -23.944 -6.409 1.00 0.00 N ATOM 613 CA PRO A 38 8.906 -25.104 -7.283 1.00 0.00 C ATOM 614 C PRO A 38 8.996 -26.424 -6.498 1.00 0.00 C ATOM 615 O PRO A 38 9.533 -26.441 -5.381 1.00 0.00 O ATOM 616 CB PRO A 38 10.181 -24.863 -8.104 1.00 0.00 C ATOM 617 CG PRO A 38 10.325 -23.344 -8.101 1.00 0.00 C ATOM 618 CD PRO A 38 9.804 -22.963 -6.718 1.00 0.00 C ATOM 0 HA PRO A 38 8.026 -25.208 -7.918 1.00 0.00 H new ATOM 0 HB2 PRO A 38 11.046 -25.349 -7.653 1.00 0.00 H new ATOM 0 HB3 PRO A 38 10.086 -25.255 -9.117 1.00 0.00 H new ATOM 0 HG2 PRO A 38 11.360 -23.035 -8.243 1.00 0.00 H new ATOM 0 HG3 PRO A 38 9.741 -22.880 -8.896 1.00 0.00 H new ATOM 0 HD2 PRO A 38 10.603 -22.987 -5.977 1.00 0.00 H new ATOM 0 HD3 PRO A 38 9.398 -21.952 -6.716 1.00 0.00 H new ATOM 626 N PRO A 39 8.531 -27.546 -7.077 1.00 0.00 N ATOM 627 CA PRO A 39 8.675 -28.855 -6.462 1.00 0.00 C ATOM 628 C PRO A 39 10.162 -29.223 -6.356 1.00 0.00 C ATOM 629 O PRO A 39 10.975 -28.862 -7.213 1.00 0.00 O ATOM 630 CB PRO A 39 7.895 -29.823 -7.357 1.00 0.00 C ATOM 631 CG PRO A 39 7.980 -29.165 -8.733 1.00 0.00 C ATOM 632 CD PRO A 39 7.940 -27.673 -8.403 1.00 0.00 C ATOM 0 HA PRO A 39 8.285 -28.886 -5.445 1.00 0.00 H new ATOM 0 HB2 PRO A 39 8.339 -30.818 -7.358 1.00 0.00 H new ATOM 0 HB3 PRO A 39 6.862 -29.935 -7.026 1.00 0.00 H new ATOM 0 HG2 PRO A 39 8.897 -29.438 -9.255 1.00 0.00 H new ATOM 0 HG3 PRO A 39 7.148 -29.459 -9.373 1.00 0.00 H new ATOM 0 HD2 PRO A 39 8.500 -27.094 -9.138 1.00 0.00 H new ATOM 0 HD3 PRO A 39 6.917 -27.297 -8.413 1.00 0.00 H new ATOM 846 N LYS A 57 2.614 -28.054 -10.989 1.00 0.00 N ATOM 847 CA LYS A 57 2.464 -28.326 -9.571 1.00 0.00 C ATOM 848 C LYS A 57 3.422 -27.423 -8.794 1.00 0.00 C ATOM 849 O LYS A 57 4.319 -26.820 -9.393 1.00 0.00 O ATOM 850 CB LYS A 57 2.753 -29.818 -9.360 1.00 0.00 C ATOM 851 CG LYS A 57 4.207 -30.203 -9.688 1.00 0.00 C ATOM 852 CD LYS A 57 4.517 -31.683 -9.466 1.00 0.00 C ATOM 853 CE LYS A 57 3.669 -32.618 -10.346 1.00 0.00 C ATOM 854 NZ LYS A 57 4.041 -34.045 -10.166 1.00 0.00 N ATOM 0 HA LYS A 57 1.458 -28.113 -9.208 1.00 0.00 H new ATOM 0 HB2 LYS A 57 2.539 -30.081 -8.324 1.00 0.00 H new ATOM 0 HB3 LYS A 57 2.078 -30.405 -9.984 1.00 0.00 H new ATOM 0 HG2 LYS A 57 4.415 -29.950 -10.728 1.00 0.00 H new ATOM 0 HG3 LYS A 57 4.879 -29.604 -9.074 1.00 0.00 H new ATOM 0 HD2 LYS A 57 5.573 -31.861 -9.670 1.00 0.00 H new ATOM 0 HD3 LYS A 57 4.349 -31.930 -8.418 1.00 0.00 H new ATOM 0 HE2 LYS A 57 2.615 -32.485 -10.104 1.00 0.00 H new ATOM 0 HE3 LYS A 57 3.793 -32.341 -11.393 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 3.445 -34.639 -10.777 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 5.040 -34.178 -10.422 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 3.898 -34.318 -9.173 1.00 0.00 H new ATOM 868 N ALA A 58 3.267 -27.362 -7.478 1.00 0.00 N ATOM 869 CA ALA A 58 4.126 -26.590 -6.585 1.00 0.00 C ATOM 870 C ALA A 58 4.175 -27.236 -5.198 1.00 0.00 C ATOM 871 O ALA A 58 3.489 -28.225 -4.934 1.00 0.00 O ATOM 872 CB ALA A 58 3.608 -25.149 -6.520 1.00 0.00 C ATOM 0 H ALA A 58 2.523 -27.859 -6.989 1.00 0.00 H new ATOM 0 HA ALA A 58 5.146 -26.578 -6.969 1.00 0.00 H new ATOM 0 HB1 ALA A 58 4.243 -24.564 -5.855 1.00 0.00 H new ATOM 0 HB2 ALA A 58 3.626 -24.711 -7.518 1.00 0.00 H new ATOM 0 HB3 ALA A 58 2.586 -25.146 -6.141 1.00 0.00 H new ATOM 878 N ILE A 59 4.977 -26.670 -4.297 1.00 0.00 N ATOM 879 CA ILE A 59 5.140 -27.117 -2.917 1.00 0.00 C ATOM 880 C ILE A 59 5.176 -25.866 -2.051 1.00 0.00 C ATOM 881 O ILE A 59 5.640 -24.812 -2.485 1.00 0.00 O ATOM 882 CB ILE A 59 6.407 -28.006 -2.776 1.00 0.00 C ATOM 883 CG1 ILE A 59 6.087 -29.410 -3.316 1.00 0.00 C ATOM 884 CG2 ILE A 59 6.922 -28.152 -1.328 1.00 0.00 C ATOM 885 CD1 ILE A 59 7.203 -30.450 -3.183 1.00 0.00 C ATOM 0 H ILE A 59 5.552 -25.857 -4.518 1.00 0.00 H new ATOM 0 HA ILE A 59 4.314 -27.749 -2.592 1.00 0.00 H new ATOM 0 HB ILE A 59 7.194 -27.509 -3.342 1.00 0.00 H new ATOM 0 HG12 ILE A 59 5.204 -29.785 -2.798 1.00 0.00 H new ATOM 0 HG13 ILE A 59 5.824 -29.321 -4.370 1.00 0.00 H new ATOM 0 HG21 ILE A 59 7.808 -28.787 -1.319 1.00 0.00 H new ATOM 0 HG22 ILE A 59 7.177 -27.169 -0.932 1.00 0.00 H new ATOM 0 HG23 ILE A 59 6.146 -28.603 -0.710 1.00 0.00 H new ATOM 0 HD11 ILE A 59 6.866 -31.401 -3.596 1.00 0.00 H new ATOM 0 HD12 ILE A 59 8.084 -30.110 -3.727 1.00 0.00 H new ATOM 0 HD13 ILE A 59 7.455 -30.581 -2.131 1.00 0.00 H new ATOM 897 N VAL A 60 4.686 -25.991 -0.823 1.00 0.00 N ATOM 898 CA VAL A 60 4.773 -24.910 0.160 1.00 0.00 C ATOM 899 C VAL A 60 6.144 -25.023 0.828 1.00 0.00 C ATOM 900 O VAL A 60 6.482 -26.087 1.349 1.00 0.00 O ATOM 901 CB VAL A 60 3.620 -24.998 1.181 1.00 0.00 C ATOM 902 CG1 VAL A 60 3.652 -23.809 2.157 1.00 0.00 C ATOM 903 CG2 VAL A 60 2.236 -25.003 0.512 1.00 0.00 C ATOM 0 H VAL A 60 4.222 -26.832 -0.481 1.00 0.00 H new ATOM 0 HA VAL A 60 4.673 -23.936 -0.319 1.00 0.00 H new ATOM 0 HB VAL A 60 3.771 -25.940 1.708 1.00 0.00 H new ATOM 0 HG11 VAL A 60 2.828 -23.897 2.865 1.00 0.00 H new ATOM 0 HG12 VAL A 60 4.598 -23.808 2.699 1.00 0.00 H new ATOM 0 HG13 VAL A 60 3.553 -22.878 1.599 1.00 0.00 H new ATOM 0 HG21 VAL A 60 1.462 -25.066 1.277 1.00 0.00 H new ATOM 0 HG22 VAL A 60 2.106 -24.085 -0.061 1.00 0.00 H new ATOM 0 HG23 VAL A 60 2.158 -25.861 -0.155 1.00 0.00 H new ATOM 913 N LYS A 61 6.932 -23.948 0.847 1.00 0.00 N ATOM 914 CA LYS A 61 8.272 -23.915 1.441 1.00 0.00 C ATOM 915 C LYS A 61 8.398 -22.710 2.359 1.00 0.00 C ATOM 916 O LYS A 61 7.569 -21.800 2.322 1.00 0.00 O ATOM 917 CB LYS A 61 9.357 -23.909 0.341 1.00 0.00 C ATOM 918 CG LYS A 61 9.441 -25.299 -0.296 1.00 0.00 C ATOM 919 CD LYS A 61 10.541 -25.461 -1.354 1.00 0.00 C ATOM 920 CE LYS A 61 10.461 -26.896 -1.896 1.00 0.00 C ATOM 921 NZ LYS A 61 11.246 -27.104 -3.136 1.00 0.00 N ATOM 0 H LYS A 61 6.652 -23.055 0.441 1.00 0.00 H new ATOM 0 HA LYS A 61 8.422 -24.815 2.038 1.00 0.00 H new ATOM 0 HB2 LYS A 61 9.118 -23.163 -0.417 1.00 0.00 H new ATOM 0 HB3 LYS A 61 10.321 -23.633 0.767 1.00 0.00 H new ATOM 0 HG2 LYS A 61 9.604 -26.034 0.492 1.00 0.00 H new ATOM 0 HG3 LYS A 61 8.480 -25.531 -0.754 1.00 0.00 H new ATOM 0 HD2 LYS A 61 10.405 -24.740 -2.160 1.00 0.00 H new ATOM 0 HD3 LYS A 61 11.522 -25.271 -0.918 1.00 0.00 H new ATOM 0 HE2 LYS A 61 10.817 -27.586 -1.130 1.00 0.00 H new ATOM 0 HE3 LYS A 61 9.418 -27.145 -2.090 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 11.534 -28.101 -3.201 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 10.663 -26.858 -3.961 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 12.092 -26.500 -3.117 1.00 0.00 H new ATOM 935 N LYS A 62 9.447 -22.713 3.177 1.00 0.00 N ATOM 936 CA LYS A 62 9.758 -21.655 4.134 1.00 0.00 C ATOM 937 C LYS A 62 11.204 -21.247 3.893 1.00 0.00 C ATOM 938 O LYS A 62 12.073 -22.119 3.848 1.00 0.00 O ATOM 939 CB LYS A 62 9.539 -22.184 5.561 1.00 0.00 C ATOM 940 CG LYS A 62 9.829 -21.130 6.641 1.00 0.00 C ATOM 941 CD LYS A 62 9.549 -21.711 8.031 1.00 0.00 C ATOM 942 CE LYS A 62 9.913 -20.701 9.126 1.00 0.00 C ATOM 943 NZ LYS A 62 9.562 -21.213 10.472 1.00 0.00 N ATOM 0 H LYS A 62 10.125 -23.475 3.193 1.00 0.00 H new ATOM 0 HA LYS A 62 9.112 -20.786 4.010 1.00 0.00 H new ATOM 0 HB2 LYS A 62 8.509 -22.526 5.662 1.00 0.00 H new ATOM 0 HB3 LYS A 62 10.180 -23.050 5.724 1.00 0.00 H new ATOM 0 HG2 LYS A 62 10.868 -20.807 6.576 1.00 0.00 H new ATOM 0 HG3 LYS A 62 9.210 -20.248 6.475 1.00 0.00 H new ATOM 0 HD2 LYS A 62 8.496 -21.979 8.113 1.00 0.00 H new ATOM 0 HD3 LYS A 62 10.123 -22.627 8.170 1.00 0.00 H new ATOM 0 HE2 LYS A 62 10.981 -20.485 9.084 1.00 0.00 H new ATOM 0 HE3 LYS A 62 9.391 -19.762 8.945 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 9.579 -20.430 11.156 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 8.610 -21.631 10.447 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 10.251 -21.938 10.758 1.00 0.00 H new ATOM 957 N GLU A 63 11.461 -19.954 3.703 1.00 0.00 N ATOM 958 CA GLU A 63 12.743 -19.425 3.251 1.00 0.00 C ATOM 959 C GLU A 63 12.913 -18.005 3.799 1.00 0.00 C ATOM 960 O GLU A 63 11.950 -17.377 4.246 1.00 0.00 O ATOM 961 CB GLU A 63 12.805 -19.420 1.707 1.00 0.00 C ATOM 962 CG GLU A 63 12.873 -20.831 1.101 1.00 0.00 C ATOM 963 CD GLU A 63 13.132 -20.810 -0.411 1.00 0.00 C ATOM 964 OE1 GLU A 63 12.155 -20.697 -1.182 1.00 0.00 O ATOM 965 OE2 GLU A 63 14.302 -20.957 -0.835 1.00 0.00 O ATOM 0 H GLU A 63 10.763 -19.227 3.864 1.00 0.00 H new ATOM 0 HA GLU A 63 13.552 -20.056 3.619 1.00 0.00 H new ATOM 0 HB2 GLU A 63 11.927 -18.905 1.316 1.00 0.00 H new ATOM 0 HB3 GLU A 63 13.678 -18.851 1.386 1.00 0.00 H new ATOM 0 HG2 GLU A 63 13.664 -21.397 1.594 1.00 0.00 H new ATOM 0 HG3 GLU A 63 11.937 -21.353 1.299 1.00 0.00 H new ATOM 972 N LEU A 64 14.145 -17.495 3.786 1.00 0.00 N ATOM 973 CA LEU A 64 14.455 -16.127 4.187 1.00 0.00 C ATOM 974 C LEU A 64 13.822 -15.165 3.182 1.00 0.00 C ATOM 975 O LEU A 64 14.030 -15.314 1.976 1.00 0.00 O ATOM 976 CB LEU A 64 15.987 -15.956 4.211 1.00 0.00 C ATOM 977 CG LEU A 64 16.455 -14.601 4.776 1.00 0.00 C ATOM 978 CD1 LEU A 64 16.389 -14.581 6.307 1.00 0.00 C ATOM 979 CD2 LEU A 64 17.896 -14.324 4.336 1.00 0.00 C ATOM 0 H LEU A 64 14.964 -18.028 3.493 1.00 0.00 H new ATOM 0 HA LEU A 64 14.058 -15.913 5.179 1.00 0.00 H new ATOM 0 HB2 LEU A 64 16.423 -16.757 4.808 1.00 0.00 H new ATOM 0 HB3 LEU A 64 16.371 -16.068 3.197 1.00 0.00 H new ATOM 0 HG LEU A 64 15.788 -13.831 4.388 1.00 0.00 H new ATOM 0 HD11 LEU A 64 16.726 -13.611 6.673 1.00 0.00 H new ATOM 0 HD12 LEU A 64 15.362 -14.754 6.629 1.00 0.00 H new ATOM 0 HD13 LEU A 64 17.032 -15.364 6.709 1.00 0.00 H new ATOM 0 HD21 LEU A 64 18.221 -13.365 4.738 1.00 0.00 H new ATOM 0 HD22 LEU A 64 18.548 -15.114 4.708 1.00 0.00 H new ATOM 0 HD23 LEU A 64 17.945 -14.296 3.247 1.00 0.00 H new ATOM 991 N LEU A 65 13.104 -14.145 3.662 1.00 0.00 N ATOM 992 CA LEU A 65 12.425 -13.163 2.818 1.00 0.00 C ATOM 993 C LEU A 65 13.399 -12.543 1.831 1.00 0.00 C ATOM 994 O LEU A 65 13.084 -12.436 0.651 1.00 0.00 O ATOM 995 CB LEU A 65 11.762 -12.075 3.684 1.00 0.00 C ATOM 996 CG LEU A 65 10.916 -11.081 2.852 1.00 0.00 C ATOM 997 CD1 LEU A 65 9.796 -10.483 3.714 1.00 0.00 C ATOM 998 CD2 LEU A 65 11.721 -9.885 2.322 1.00 0.00 C ATOM 0 H LEU A 65 12.978 -13.978 4.660 1.00 0.00 H new ATOM 0 HA LEU A 65 11.646 -13.674 2.253 1.00 0.00 H new ATOM 0 HB2 LEU A 65 11.126 -12.549 4.432 1.00 0.00 H new ATOM 0 HB3 LEU A 65 12.534 -11.526 4.224 1.00 0.00 H new ATOM 0 HG LEU A 65 10.537 -11.666 2.014 1.00 0.00 H new ATOM 0 HD11 LEU A 65 9.209 -9.786 3.116 1.00 0.00 H new ATOM 0 HD12 LEU A 65 9.150 -11.282 4.077 1.00 0.00 H new ATOM 0 HD13 LEU A 65 10.232 -9.955 4.562 1.00 0.00 H new ATOM 0 HD21 LEU A 65 11.065 -9.230 1.748 1.00 0.00 H new ATOM 0 HD22 LEU A 65 12.144 -9.331 3.160 1.00 0.00 H new ATOM 0 HD23 LEU A 65 12.526 -10.244 1.681 1.00 0.00 H new ATOM 1010 N TYR A 66 14.583 -12.152 2.300 1.00 0.00 N ATOM 1011 CA TYR A 66 15.548 -11.428 1.485 1.00 0.00 C ATOM 1012 C TYR A 66 16.099 -12.283 0.336 1.00 0.00 C ATOM 1013 O TYR A 66 16.584 -11.724 -0.647 1.00 0.00 O ATOM 1014 CB TYR A 66 16.658 -10.876 2.389 1.00 0.00 C ATOM 1015 CG TYR A 66 16.121 -10.056 3.553 1.00 0.00 C ATOM 1016 CD1 TYR A 66 15.442 -8.846 3.304 1.00 0.00 C ATOM 1017 CD2 TYR A 66 16.241 -10.529 4.875 1.00 0.00 C ATOM 1018 CE1 TYR A 66 14.881 -8.116 4.366 1.00 0.00 C ATOM 1019 CE2 TYR A 66 15.685 -9.803 5.944 1.00 0.00 C ATOM 1020 CZ TYR A 66 14.998 -8.591 5.693 1.00 0.00 C ATOM 1021 OH TYR A 66 14.453 -7.873 6.714 1.00 0.00 O ATOM 0 H TYR A 66 14.897 -12.329 3.254 1.00 0.00 H new ATOM 0 HA TYR A 66 15.042 -10.591 1.003 1.00 0.00 H new ATOM 0 HB2 TYR A 66 17.249 -11.705 2.778 1.00 0.00 H new ATOM 0 HB3 TYR A 66 17.330 -10.257 1.794 1.00 0.00 H new ATOM 0 HD1 TYR A 66 15.352 -8.478 2.293 1.00 0.00 H new ATOM 0 HD2 TYR A 66 16.763 -11.454 5.069 1.00 0.00 H new ATOM 0 HE1 TYR A 66 14.360 -7.191 4.168 1.00 0.00 H new ATOM 0 HE2 TYR A 66 15.782 -10.170 6.955 1.00 0.00 H new ATOM 0 HH TYR A 66 14.619 -8.334 7.563 1.00 0.00 H new ATOM 1031 N ASP A 67 15.997 -13.617 0.416 1.00 0.00 N ATOM 1032 CA ASP A 67 16.298 -14.487 -0.718 1.00 0.00 C ATOM 1033 C ASP A 67 15.102 -14.540 -1.671 1.00 0.00 C ATOM 1034 O ASP A 67 15.277 -14.367 -2.877 1.00 0.00 O ATOM 1035 CB ASP A 67 16.655 -15.900 -0.250 1.00 0.00 C ATOM 1036 CG ASP A 67 16.987 -16.786 -1.462 1.00 0.00 C ATOM 1037 OD1 ASP A 67 18.125 -16.703 -1.978 1.00 0.00 O ATOM 1038 OD2 ASP A 67 16.123 -17.578 -1.897 1.00 0.00 O ATOM 0 H ASP A 67 15.707 -14.113 1.259 1.00 0.00 H new ATOM 0 HA ASP A 67 17.159 -14.074 -1.242 1.00 0.00 H new ATOM 0 HB2 ASP A 67 17.507 -15.863 0.428 1.00 0.00 H new ATOM 0 HB3 ASP A 67 15.822 -16.329 0.307 1.00 0.00 H new ATOM 1043 N VAL A 68 13.884 -14.702 -1.140 1.00 0.00 N ATOM 1044 CA VAL A 68 12.651 -14.756 -1.930 1.00 0.00 C ATOM 1045 C VAL A 68 12.465 -13.458 -2.734 1.00 0.00 C ATOM 1046 O VAL A 68 12.091 -13.515 -3.909 1.00 0.00 O ATOM 1047 CB VAL A 68 11.446 -15.072 -1.005 1.00 0.00 C ATOM 1048 CG1 VAL A 68 10.123 -15.134 -1.782 1.00 0.00 C ATOM 1049 CG2 VAL A 68 11.632 -16.439 -0.322 1.00 0.00 C ATOM 0 H VAL A 68 13.727 -14.800 -0.137 1.00 0.00 H new ATOM 0 HA VAL A 68 12.718 -15.563 -2.660 1.00 0.00 H new ATOM 0 HB VAL A 68 11.406 -14.266 -0.272 1.00 0.00 H new ATOM 0 HG11 VAL A 68 9.307 -15.358 -1.094 1.00 0.00 H new ATOM 0 HG12 VAL A 68 9.939 -14.174 -2.264 1.00 0.00 H new ATOM 0 HG13 VAL A 68 10.183 -15.915 -2.540 1.00 0.00 H new ATOM 0 HG21 VAL A 68 10.777 -16.643 0.323 1.00 0.00 H new ATOM 0 HG22 VAL A 68 11.708 -17.218 -1.081 1.00 0.00 H new ATOM 0 HG23 VAL A 68 12.543 -16.426 0.277 1.00 0.00 H new ATOM 1059 N ALA A 69 12.762 -12.301 -2.132 1.00 0.00 N ATOM 1060 CA ALA A 69 12.654 -10.991 -2.763 1.00 0.00 C ATOM 1061 C ALA A 69 13.876 -10.631 -3.615 1.00 0.00 C ATOM 1062 O ALA A 69 13.886 -9.563 -4.230 1.00 0.00 O ATOM 1063 CB ALA A 69 12.415 -9.923 -1.689 1.00 0.00 C ATOM 0 H ALA A 69 13.092 -12.254 -1.168 1.00 0.00 H new ATOM 0 HA ALA A 69 11.806 -11.030 -3.447 1.00 0.00 H new ATOM 0 HB1 ALA A 69 12.334 -8.944 -2.161 1.00 0.00 H new ATOM 0 HB2 ALA A 69 11.492 -10.145 -1.154 1.00 0.00 H new ATOM 0 HB3 ALA A 69 13.249 -9.920 -0.987 1.00 0.00 H new ATOM 1069 N GLY A 70 14.899 -11.492 -3.665 1.00 0.00 N ATOM 1070 CA GLY A 70 16.133 -11.248 -4.404 1.00 0.00 C ATOM 1071 C GLY A 70 15.909 -11.076 -5.910 1.00 0.00 C ATOM 1072 O GLY A 70 16.795 -10.570 -6.604 1.00 0.00 O ATOM 0 H GLY A 70 14.888 -12.391 -3.184 1.00 0.00 H new ATOM 0 HA2 GLY A 70 16.614 -10.353 -4.010 1.00 0.00 H new ATOM 0 HA3 GLY A 70 16.819 -12.078 -4.237 1.00 0.00 H new ATOM 1076 N SER A 71 14.740 -11.476 -6.418 1.00 0.00 N ATOM 1077 CA SER A 71 14.311 -11.271 -7.790 1.00 0.00 C ATOM 1078 C SER A 71 14.343 -9.790 -8.186 1.00 0.00 C ATOM 1079 O SER A 71 14.891 -9.455 -9.238 1.00 0.00 O ATOM 1080 CB SER A 71 12.917 -11.894 -7.945 1.00 0.00 C ATOM 1081 OG SER A 71 12.115 -11.691 -6.782 1.00 0.00 O ATOM 0 H SER A 71 14.045 -11.970 -5.857 1.00 0.00 H new ATOM 0 HA SER A 71 15.003 -11.761 -8.475 1.00 0.00 H new ATOM 0 HB2 SER A 71 12.418 -11.459 -8.811 1.00 0.00 H new ATOM 0 HB3 SER A 71 13.015 -12.962 -8.137 1.00 0.00 H new ATOM 0 HG SER A 71 11.744 -10.784 -6.795 1.00 0.00 H new ATOM 1087 N ASP A 72 13.799 -8.908 -7.339 1.00 0.00 N ATOM 1088 CA ASP A 72 13.870 -7.459 -7.490 1.00 0.00 C ATOM 1089 C ASP A 72 13.540 -6.742 -6.192 1.00 0.00 C ATOM 1090 O ASP A 72 14.425 -6.128 -5.592 1.00 0.00 O ATOM 1091 CB ASP A 72 12.968 -6.972 -8.630 1.00 0.00 C ATOM 1092 CG ASP A 72 13.092 -5.457 -8.880 1.00 0.00 C ATOM 1093 OD1 ASP A 72 14.156 -4.860 -8.591 1.00 0.00 O ATOM 1094 OD2 ASP A 72 12.122 -4.860 -9.399 1.00 0.00 O ATOM 0 H ASP A 72 13.284 -9.196 -6.507 1.00 0.00 H new ATOM 0 HA ASP A 72 14.900 -7.213 -7.748 1.00 0.00 H new ATOM 0 HB2 ASP A 72 13.222 -7.509 -9.544 1.00 0.00 H new ATOM 0 HB3 ASP A 72 11.931 -7.214 -8.396 1.00 0.00 H new ATOM 1099 N LYS A 73 12.287 -6.824 -5.752 1.00 0.00 N ATOM 1100 CA LYS A 73 11.737 -5.995 -4.680 1.00 0.00 C ATOM 1101 C LYS A 73 10.554 -6.707 -4.026 1.00 0.00 C ATOM 1102 O LYS A 73 10.080 -7.724 -4.530 1.00 0.00 O ATOM 1103 CB LYS A 73 11.248 -4.673 -5.311 1.00 0.00 C ATOM 1104 CG LYS A 73 12.300 -3.664 -5.790 1.00 0.00 C ATOM 1105 CD LYS A 73 13.358 -3.212 -4.773 1.00 0.00 C ATOM 1106 CE LYS A 73 14.569 -2.579 -5.483 1.00 0.00 C ATOM 1107 NZ LYS A 73 15.299 -3.549 -6.343 1.00 0.00 N ATOM 0 H LYS A 73 11.610 -7.482 -6.138 1.00 0.00 H new ATOM 0 HA LYS A 73 12.497 -5.807 -3.922 1.00 0.00 H new ATOM 0 HB2 LYS A 73 10.616 -4.925 -6.163 1.00 0.00 H new ATOM 0 HB3 LYS A 73 10.613 -4.171 -4.581 1.00 0.00 H new ATOM 0 HG2 LYS A 73 12.818 -4.098 -6.645 1.00 0.00 H new ATOM 0 HG3 LYS A 73 11.778 -2.777 -6.150 1.00 0.00 H new ATOM 0 HD2 LYS A 73 12.920 -2.492 -4.082 1.00 0.00 H new ATOM 0 HD3 LYS A 73 13.685 -4.065 -4.179 1.00 0.00 H new ATOM 0 HE2 LYS A 73 14.231 -1.741 -6.093 1.00 0.00 H new ATOM 0 HE3 LYS A 73 15.253 -2.175 -4.737 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 16.305 -3.288 -6.384 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 15.205 -4.505 -5.945 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 14.898 -3.533 -7.302 1.00 0.00 H new ATOM 1121 N TYR A 74 10.034 -6.154 -2.931 1.00 0.00 N ATOM 1122 CA TYR A 74 8.836 -6.649 -2.261 1.00 0.00 C ATOM 1123 C TYR A 74 8.172 -5.537 -1.446 1.00 0.00 C ATOM 1124 O TYR A 74 8.808 -4.518 -1.157 1.00 0.00 O ATOM 1125 CB TYR A 74 9.224 -7.797 -1.316 1.00 0.00 C ATOM 1126 CG TYR A 74 9.926 -7.348 -0.038 1.00 0.00 C ATOM 1127 CD1 TYR A 74 11.288 -6.985 -0.053 1.00 0.00 C ATOM 1128 CD2 TYR A 74 9.190 -7.220 1.158 1.00 0.00 C ATOM 1129 CE1 TYR A 74 11.912 -6.511 1.114 1.00 0.00 C ATOM 1130 CE2 TYR A 74 9.804 -6.743 2.330 1.00 0.00 C ATOM 1131 CZ TYR A 74 11.174 -6.388 2.314 1.00 0.00 C ATOM 1132 OH TYR A 74 11.793 -5.932 3.440 1.00 0.00 O ATOM 0 H TYR A 74 10.442 -5.336 -2.478 1.00 0.00 H new ATOM 0 HA TYR A 74 8.133 -6.999 -3.017 1.00 0.00 H new ATOM 0 HB2 TYR A 74 8.324 -8.351 -1.047 1.00 0.00 H new ATOM 0 HB3 TYR A 74 9.875 -8.488 -1.851 1.00 0.00 H new ATOM 0 HD1 TYR A 74 11.856 -7.072 -0.967 1.00 0.00 H new ATOM 0 HD2 TYR A 74 8.145 -7.491 1.174 1.00 0.00 H new ATOM 0 HE1 TYR A 74 12.957 -6.240 1.094 1.00 0.00 H new ATOM 0 HE2 TYR A 74 9.231 -6.648 3.241 1.00 0.00 H new ATOM 0 HH TYR A 74 11.150 -5.904 4.179 1.00 0.00 H new ATOM 1142 N GLN A 75 6.921 -5.763 -1.028 1.00 0.00 N ATOM 1143 CA GLN A 75 6.232 -4.948 -0.035 1.00 0.00 C ATOM 1144 C GLN A 75 5.145 -5.769 0.670 1.00 0.00 C ATOM 1145 O GLN A 75 4.754 -6.831 0.189 1.00 0.00 O ATOM 1146 CB GLN A 75 5.699 -3.619 -0.613 1.00 0.00 C ATOM 1147 CG GLN A 75 4.784 -3.727 -1.844 1.00 0.00 C ATOM 1148 CD GLN A 75 5.505 -3.840 -3.196 1.00 0.00 C ATOM 1149 OE1 GLN A 75 6.683 -3.534 -3.363 1.00 0.00 O ATOM 1150 NE2 GLN A 75 4.785 -4.256 -4.217 1.00 0.00 N ATOM 0 H GLN A 75 6.353 -6.533 -1.381 1.00 0.00 H new ATOM 0 HA GLN A 75 6.965 -4.653 0.716 1.00 0.00 H new ATOM 0 HB2 GLN A 75 5.153 -3.099 0.174 1.00 0.00 H new ATOM 0 HB3 GLN A 75 6.552 -2.994 -0.875 1.00 0.00 H new ATOM 0 HG2 GLN A 75 4.140 -4.598 -1.721 1.00 0.00 H new ATOM 0 HG3 GLN A 75 4.135 -2.852 -1.870 1.00 0.00 H new ATOM 0 HE21 GLN A 75 3.807 -4.511 -4.081 1.00 0.00 H new ATOM 0 HE22 GLN A 75 5.206 -4.324 -5.144 1.00 0.00 H new ATOM 1159 N VAL A 76 4.667 -5.291 1.822 1.00 0.00 N ATOM 1160 CA VAL A 76 3.479 -5.834 2.466 1.00 0.00 C ATOM 1161 C VAL A 76 2.303 -5.448 1.567 1.00 0.00 C ATOM 1162 O VAL A 76 2.248 -4.324 1.059 1.00 0.00 O ATOM 1163 CB VAL A 76 3.345 -5.273 3.903 1.00 0.00 C ATOM 1164 CG1 VAL A 76 1.980 -5.558 4.552 1.00 0.00 C ATOM 1165 CG2 VAL A 76 4.429 -5.860 4.822 1.00 0.00 C ATOM 0 H VAL A 76 5.096 -4.517 2.330 1.00 0.00 H new ATOM 0 HA VAL A 76 3.522 -6.917 2.578 1.00 0.00 H new ATOM 0 HB VAL A 76 3.456 -4.194 3.797 1.00 0.00 H new ATOM 0 HG11 VAL A 76 1.959 -5.136 5.557 1.00 0.00 H new ATOM 0 HG12 VAL A 76 1.190 -5.106 3.952 1.00 0.00 H new ATOM 0 HG13 VAL A 76 1.821 -6.635 4.608 1.00 0.00 H new ATOM 0 HG21 VAL A 76 4.315 -5.452 5.826 1.00 0.00 H new ATOM 0 HG22 VAL A 76 4.327 -6.945 4.858 1.00 0.00 H new ATOM 0 HG23 VAL A 76 5.414 -5.601 4.434 1.00 0.00 H new ATOM 1175 N ASN A 77 1.354 -6.364 1.377 1.00 0.00 N ATOM 1176 CA ASN A 77 0.144 -6.092 0.602 1.00 0.00 C ATOM 1177 C ASN A 77 -1.038 -6.880 1.166 1.00 0.00 C ATOM 1178 O ASN A 77 -1.661 -7.683 0.474 1.00 0.00 O ATOM 1179 CB ASN A 77 0.374 -6.321 -0.905 1.00 0.00 C ATOM 1180 CG ASN A 77 -0.773 -5.750 -1.745 1.00 0.00 C ATOM 1181 OD1 ASN A 77 -1.572 -4.945 -1.271 1.00 0.00 O ATOM 1182 ND2 ASN A 77 -0.864 -6.094 -3.018 1.00 0.00 N ATOM 0 H ASN A 77 1.402 -7.311 1.754 1.00 0.00 H new ATOM 0 HA ASN A 77 -0.108 -5.036 0.700 1.00 0.00 H new ATOM 0 HB2 ASN A 77 1.312 -5.855 -1.205 1.00 0.00 H new ATOM 0 HB3 ASN A 77 0.472 -7.389 -1.100 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -1.596 -5.692 -3.604 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -0.203 -6.762 -3.414 1.00 0.00 H new ATOM 1189 N ASN A 78 -1.305 -6.696 2.465 1.00 0.00 N ATOM 1190 CA ASN A 78 -2.485 -7.252 3.134 1.00 0.00 C ATOM 1191 C ASN A 78 -3.730 -6.805 2.365 1.00 0.00 C ATOM 1192 O ASN A 78 -4.033 -5.609 2.336 1.00 0.00 O ATOM 1193 CB ASN A 78 -2.574 -6.777 4.592 1.00 0.00 C ATOM 1194 CG ASN A 78 -1.540 -7.381 5.531 1.00 0.00 C ATOM 1195 OD1 ASN A 78 -1.227 -8.563 5.450 1.00 0.00 O ATOM 1196 ND2 ASN A 78 -0.994 -6.591 6.439 1.00 0.00 N ATOM 0 H ASN A 78 -0.703 -6.153 3.085 1.00 0.00 H new ATOM 0 HA ASN A 78 -2.411 -8.339 3.145 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -2.470 -5.692 4.612 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -3.568 -7.009 4.974 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -0.300 -6.963 7.087 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -1.267 -5.610 6.492 1.00 0.00 H new ATOM 1203 N LYS A 79 -4.440 -7.743 1.727 1.00 0.00 N ATOM 1204 CA LYS A 79 -5.508 -7.407 0.776 1.00 0.00 C ATOM 1205 C LYS A 79 -6.660 -6.628 1.412 1.00 0.00 C ATOM 1206 O LYS A 79 -7.255 -5.789 0.736 1.00 0.00 O ATOM 1207 CB LYS A 79 -6.057 -8.680 0.104 1.00 0.00 C ATOM 1208 CG LYS A 79 -5.076 -9.385 -0.851 1.00 0.00 C ATOM 1209 CD LYS A 79 -4.622 -8.556 -2.066 1.00 0.00 C ATOM 1210 CE LYS A 79 -5.759 -8.015 -2.949 1.00 0.00 C ATOM 1211 NZ LYS A 79 -6.566 -9.092 -3.575 1.00 0.00 N ATOM 0 H LYS A 79 -4.294 -8.745 1.852 1.00 0.00 H new ATOM 0 HA LYS A 79 -5.052 -6.757 0.029 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -6.354 -9.384 0.881 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -6.958 -8.420 -0.451 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -4.193 -9.680 -0.284 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -5.543 -10.301 -1.212 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -4.028 -7.714 -1.710 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -3.966 -9.172 -2.682 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -6.411 -7.383 -2.346 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -5.336 -7.384 -3.730 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -7.023 -8.728 -4.435 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -5.947 -9.890 -3.823 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -7.294 -9.414 -2.906 1.00 0.00 H new ATOM 1225 N HIS A 80 -6.976 -6.890 2.682 1.00 0.00 N ATOM 1226 CA HIS A 80 -8.175 -6.379 3.340 1.00 0.00 C ATOM 1227 C HIS A 80 -7.894 -5.908 4.754 1.00 0.00 C ATOM 1228 O HIS A 80 -8.823 -5.811 5.546 1.00 0.00 O ATOM 1229 CB HIS A 80 -9.284 -7.435 3.358 1.00 0.00 C ATOM 1230 CG HIS A 80 -9.633 -8.021 2.015 1.00 0.00 C ATOM 1231 ND1 HIS A 80 -10.352 -7.369 1.008 1.00 0.00 N ATOM 1232 CD2 HIS A 80 -9.297 -9.273 1.590 1.00 0.00 C ATOM 1233 CE1 HIS A 80 -10.429 -8.253 -0.004 1.00 0.00 C ATOM 1234 NE2 HIS A 80 -9.807 -9.400 0.319 1.00 0.00 N ATOM 0 H HIS A 80 -6.397 -7.471 3.288 1.00 0.00 H new ATOM 0 HA HIS A 80 -8.508 -5.519 2.758 1.00 0.00 H new ATOM 0 HB2 HIS A 80 -8.982 -8.245 4.022 1.00 0.00 H new ATOM 0 HB3 HIS A 80 -10.182 -6.989 3.786 1.00 0.00 H new ATOM 0 HD2 HIS A 80 -8.741 -10.017 2.142 1.00 0.00 H new ATOM 0 HE1 HIS A 80 -10.923 -8.066 -0.946 1.00 0.00 H new ATOM 0 HE2 HIS A 80 -9.727 -10.224 -0.277 1.00 0.00 H new ATOM 1242 N ASP A 81 -6.651 -5.553 5.091 1.00 0.00 N ATOM 1243 CA ASP A 81 -6.320 -4.912 6.375 1.00 0.00 C ATOM 1244 C ASP A 81 -7.045 -3.566 6.566 1.00 0.00 C ATOM 1245 O ASP A 81 -6.942 -2.929 7.613 1.00 0.00 O ATOM 1246 CB ASP A 81 -4.798 -4.756 6.461 1.00 0.00 C ATOM 1247 CG ASP A 81 -4.309 -4.019 7.715 1.00 0.00 C ATOM 1248 OD1 ASP A 81 -4.402 -4.576 8.832 1.00 0.00 O ATOM 1249 OD2 ASP A 81 -3.760 -2.904 7.559 1.00 0.00 O ATOM 0 H ASP A 81 -5.844 -5.700 4.485 1.00 0.00 H new ATOM 0 HA ASP A 81 -6.670 -5.547 7.188 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -4.341 -5.745 6.434 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -4.449 -4.219 5.579 1.00 0.00 H new ATOM 1254 N ASP A 82 -7.812 -3.128 5.562 1.00 0.00 N ATOM 1255 CA ASP A 82 -8.675 -1.956 5.652 1.00 0.00 C ATOM 1256 C ASP A 82 -9.923 -2.258 6.486 1.00 0.00 C ATOM 1257 O ASP A 82 -10.491 -1.339 7.080 1.00 0.00 O ATOM 1258 CB ASP A 82 -9.079 -1.481 4.248 1.00 0.00 C ATOM 1259 CG ASP A 82 -10.150 -2.357 3.587 1.00 0.00 C ATOM 1260 OD1 ASP A 82 -9.896 -3.571 3.416 1.00 0.00 O ATOM 1261 OD2 ASP A 82 -11.222 -1.834 3.213 1.00 0.00 O ATOM 0 H ASP A 82 -7.848 -3.588 4.652 1.00 0.00 H new ATOM 0 HA ASP A 82 -8.117 -1.161 6.147 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -9.448 -0.457 4.312 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -8.194 -1.462 3.612 1.00 0.00 H new ATOM 1266 N LYS A 83 -10.345 -3.528 6.544 1.00 0.00 N ATOM 1267 CA LYS A 83 -11.615 -3.925 7.162 1.00 0.00 C ATOM 1268 C LYS A 83 -11.586 -5.256 7.918 1.00 0.00 C ATOM 1269 O LYS A 83 -12.388 -5.439 8.835 1.00 0.00 O ATOM 1270 CB LYS A 83 -12.675 -3.939 6.060 1.00 0.00 C ATOM 1271 CG LYS A 83 -12.487 -5.029 5.016 1.00 0.00 C ATOM 1272 CD LYS A 83 -13.410 -4.768 3.821 1.00 0.00 C ATOM 1273 CE LYS A 83 -12.903 -5.612 2.662 1.00 0.00 C ATOM 1274 NZ LYS A 83 -11.786 -4.961 1.932 1.00 0.00 N ATOM 0 H LYS A 83 -9.813 -4.310 6.162 1.00 0.00 H new ATOM 0 HA LYS A 83 -11.844 -3.196 7.939 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -13.656 -4.059 6.519 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -12.673 -2.971 5.560 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -11.448 -5.054 4.686 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -12.707 -6.004 5.451 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -14.439 -5.031 4.066 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -13.406 -3.711 3.556 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -12.572 -6.580 3.039 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -13.723 -5.803 1.970 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -11.218 -5.686 1.448 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -12.170 -4.297 1.230 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -11.186 -4.444 2.606 1.00 0.00 H new ATOM 1288 N TYR A 84 -10.677 -6.162 7.569 1.00 0.00 N ATOM 1289 CA TYR A 84 -10.579 -7.514 8.107 1.00 0.00 C ATOM 1290 C TYR A 84 -9.170 -7.841 8.594 1.00 0.00 C ATOM 1291 O TYR A 84 -8.195 -7.188 8.226 1.00 0.00 O ATOM 1292 CB TYR A 84 -10.944 -8.529 7.008 1.00 0.00 C ATOM 1293 CG TYR A 84 -12.362 -8.475 6.480 1.00 0.00 C ATOM 1294 CD1 TYR A 84 -13.447 -8.359 7.366 1.00 0.00 C ATOM 1295 CD2 TYR A 84 -12.593 -8.580 5.096 1.00 0.00 C ATOM 1296 CE1 TYR A 84 -14.763 -8.323 6.872 1.00 0.00 C ATOM 1297 CE2 TYR A 84 -13.905 -8.554 4.591 1.00 0.00 C ATOM 1298 CZ TYR A 84 -14.998 -8.421 5.480 1.00 0.00 C ATOM 1299 OH TYR A 84 -16.278 -8.389 5.012 1.00 0.00 O ATOM 0 H TYR A 84 -9.958 -5.965 6.873 1.00 0.00 H new ATOM 0 HA TYR A 84 -11.264 -7.573 8.952 1.00 0.00 H new ATOM 0 HB2 TYR A 84 -10.262 -8.384 6.170 1.00 0.00 H new ATOM 0 HB3 TYR A 84 -10.763 -9.531 7.396 1.00 0.00 H new ATOM 0 HD1 TYR A 84 -13.269 -8.297 8.430 1.00 0.00 H new ATOM 0 HD2 TYR A 84 -11.758 -8.681 4.418 1.00 0.00 H new ATOM 0 HE1 TYR A 84 -15.594 -8.221 7.554 1.00 0.00 H new ATOM 0 HE2 TYR A 84 -14.078 -8.635 3.528 1.00 0.00 H new ATOM 0 HH TYR A 84 -16.271 -8.466 4.035 1.00 0.00 H new ATOM 1309 N SER A 85 -9.108 -8.924 9.373 1.00 0.00 N ATOM 1310 CA SER A 85 -7.967 -9.708 9.860 1.00 0.00 C ATOM 1311 C SER A 85 -8.512 -10.595 10.993 1.00 0.00 C ATOM 1312 O SER A 85 -8.297 -10.299 12.169 1.00 0.00 O ATOM 1313 CB SER A 85 -6.739 -8.888 10.285 1.00 0.00 C ATOM 1314 OG SER A 85 -6.069 -8.374 9.145 1.00 0.00 O ATOM 0 H SER A 85 -9.977 -9.327 9.725 1.00 0.00 H new ATOM 0 HA SER A 85 -7.566 -10.301 9.038 1.00 0.00 H new ATOM 0 HB2 SER A 85 -7.048 -8.068 10.934 1.00 0.00 H new ATOM 0 HB3 SER A 85 -6.059 -9.513 10.863 1.00 0.00 H new ATOM 0 HG SER A 85 -6.608 -7.661 8.742 1.00 0.00 H new ATOM 1320 N PRO A 86 -9.302 -11.638 10.662 1.00 0.00 N ATOM 1321 CA PRO A 86 -10.009 -12.455 11.649 1.00 0.00 C ATOM 1322 C PRO A 86 -9.079 -13.327 12.500 1.00 0.00 C ATOM 1323 O PRO A 86 -9.514 -13.883 13.512 1.00 0.00 O ATOM 1324 CB PRO A 86 -10.960 -13.335 10.835 1.00 0.00 C ATOM 1325 CG PRO A 86 -10.296 -13.451 9.467 1.00 0.00 C ATOM 1326 CD PRO A 86 -9.588 -12.110 9.314 1.00 0.00 C ATOM 0 HA PRO A 86 -10.523 -11.812 12.364 1.00 0.00 H new ATOM 0 HB2 PRO A 86 -11.089 -14.313 11.298 1.00 0.00 H new ATOM 0 HB3 PRO A 86 -11.950 -12.885 10.759 1.00 0.00 H new ATOM 0 HG2 PRO A 86 -9.594 -14.284 9.428 1.00 0.00 H new ATOM 0 HG3 PRO A 86 -11.028 -13.613 8.676 1.00 0.00 H new ATOM 0 HD2 PRO A 86 -8.669 -12.220 8.738 1.00 0.00 H new ATOM 0 HD3 PRO A 86 -10.216 -11.398 8.779 1.00 0.00 H new ATOM 1334 N LEU A 87 -7.819 -13.474 12.088 1.00 0.00 N ATOM 1335 CA LEU A 87 -6.857 -14.395 12.676 1.00 0.00 C ATOM 1336 C LEU A 87 -5.710 -13.573 13.273 1.00 0.00 C ATOM 1337 O LEU A 87 -5.079 -12.817 12.531 1.00 0.00 O ATOM 1338 CB LEU A 87 -6.341 -15.366 11.594 1.00 0.00 C ATOM 1339 CG LEU A 87 -7.401 -16.345 11.049 1.00 0.00 C ATOM 1340 CD1 LEU A 87 -6.802 -17.180 9.914 1.00 0.00 C ATOM 1341 CD2 LEU A 87 -7.943 -17.289 12.129 1.00 0.00 C ATOM 0 H LEU A 87 -7.432 -12.937 11.312 1.00 0.00 H new ATOM 0 HA LEU A 87 -7.322 -14.989 13.463 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -5.942 -14.784 10.763 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -5.512 -15.942 12.007 1.00 0.00 H new ATOM 0 HG LEU A 87 -8.233 -15.741 10.686 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -7.555 -17.870 9.533 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -6.475 -16.520 9.111 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -5.949 -17.745 10.289 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -8.685 -17.956 11.690 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -7.124 -17.879 12.541 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -8.405 -16.705 12.924 1.00 0.00 H new ATOM 1353 N PRO A 88 -5.447 -13.666 14.590 1.00 0.00 N ATOM 1354 CA PRO A 88 -4.244 -13.112 15.204 1.00 0.00 C ATOM 1355 C PRO A 88 -2.969 -13.637 14.537 1.00 0.00 C ATOM 1356 O PRO A 88 -2.968 -14.731 13.966 1.00 0.00 O ATOM 1357 CB PRO A 88 -4.298 -13.540 16.675 1.00 0.00 C ATOM 1358 CG PRO A 88 -5.788 -13.733 16.943 1.00 0.00 C ATOM 1359 CD PRO A 88 -6.313 -14.245 15.604 1.00 0.00 C ATOM 0 HA PRO A 88 -4.215 -12.028 15.092 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -3.738 -14.460 16.845 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -3.869 -12.781 17.329 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -5.964 -14.448 17.746 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -6.270 -12.800 17.236 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -6.287 -15.334 15.565 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -7.350 -13.945 15.450 1.00 0.00 H new ATOM 1367 N CYS A 89 -1.863 -12.899 14.688 1.00 0.00 N ATOM 1368 CA CYS A 89 -0.552 -13.262 14.151 1.00 0.00 C ATOM 1369 C CYS A 89 -0.185 -14.709 14.480 1.00 0.00 C ATOM 1370 O CYS A 89 0.252 -15.444 13.596 1.00 0.00 O ATOM 1371 CB CYS A 89 0.512 -12.306 14.706 1.00 0.00 C ATOM 1372 SG CYS A 89 0.179 -10.601 14.173 1.00 0.00 S ATOM 0 H CYS A 89 -1.857 -12.015 15.198 1.00 0.00 H new ATOM 0 HA CYS A 89 -0.595 -13.175 13.065 1.00 0.00 H new ATOM 0 HB2 CYS A 89 0.522 -12.357 15.795 1.00 0.00 H new ATOM 0 HB3 CYS A 89 1.500 -12.614 14.363 1.00 0.00 H new ATOM 0 HG CYS A 89 0.976 -10.289 13.194 1.00 0.00 H new ATOM 1378 N SER A 90 -0.413 -15.136 15.723 1.00 0.00 N ATOM 1379 CA SER A 90 -0.133 -16.490 16.172 1.00 0.00 C ATOM 1380 C SER A 90 -0.854 -17.514 15.299 1.00 0.00 C ATOM 1381 O SER A 90 -0.226 -18.421 14.762 1.00 0.00 O ATOM 1382 CB SER A 90 -0.530 -16.605 17.649 1.00 0.00 C ATOM 1383 OG SER A 90 -1.825 -16.055 17.858 1.00 0.00 O ATOM 0 H SER A 90 -0.803 -14.539 16.452 1.00 0.00 H new ATOM 0 HA SER A 90 0.932 -16.704 16.077 1.00 0.00 H new ATOM 0 HB2 SER A 90 -0.518 -17.651 17.955 1.00 0.00 H new ATOM 0 HB3 SER A 90 0.198 -16.083 18.270 1.00 0.00 H new ATOM 0 HG SER A 90 -2.066 -16.137 18.804 1.00 0.00 H new ATOM 1389 N LYS A 91 -2.162 -17.355 15.111 1.00 0.00 N ATOM 1390 CA LYS A 91 -2.991 -18.286 14.346 1.00 0.00 C ATOM 1391 C LYS A 91 -2.594 -18.301 12.867 1.00 0.00 C ATOM 1392 O LYS A 91 -2.589 -19.370 12.259 1.00 0.00 O ATOM 1393 CB LYS A 91 -4.480 -17.951 14.500 1.00 0.00 C ATOM 1394 CG LYS A 91 -5.019 -17.807 15.936 1.00 0.00 C ATOM 1395 CD LYS A 91 -4.874 -19.038 16.846 1.00 0.00 C ATOM 1396 CE LYS A 91 -3.517 -19.098 17.566 1.00 0.00 C ATOM 1397 NZ LYS A 91 -3.478 -20.171 18.594 1.00 0.00 N ATOM 0 H LYS A 91 -2.684 -16.565 15.491 1.00 0.00 H new ATOM 0 HA LYS A 91 -2.820 -19.284 14.750 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -4.674 -17.018 13.970 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -5.056 -18.729 13.998 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -4.508 -16.969 16.410 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -6.076 -17.546 15.880 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -5.672 -19.030 17.588 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -5.002 -19.941 16.249 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -2.726 -19.267 16.835 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -3.314 -18.137 18.038 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -2.546 -20.176 19.055 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -4.215 -19.996 19.306 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -3.646 -21.092 18.141 1.00 0.00 H new ATOM 1411 N ILE A 92 -2.225 -17.153 12.290 1.00 0.00 N ATOM 1412 CA ILE A 92 -1.754 -17.092 10.904 1.00 0.00 C ATOM 1413 C ILE A 92 -0.493 -17.955 10.780 1.00 0.00 C ATOM 1414 O ILE A 92 -0.392 -18.793 9.882 1.00 0.00 O ATOM 1415 CB ILE A 92 -1.488 -15.629 10.476 1.00 0.00 C ATOM 1416 CG1 ILE A 92 -2.768 -14.767 10.563 1.00 0.00 C ATOM 1417 CG2 ILE A 92 -0.923 -15.585 9.041 1.00 0.00 C ATOM 1418 CD1 ILE A 92 -2.474 -13.265 10.511 1.00 0.00 C ATOM 0 H ILE A 92 -2.244 -16.250 12.764 1.00 0.00 H new ATOM 0 HA ILE A 92 -2.521 -17.480 10.234 1.00 0.00 H new ATOM 0 HB ILE A 92 -0.755 -15.213 11.167 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -3.435 -15.031 9.743 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -3.294 -14.998 11.489 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -0.741 -14.550 8.753 1.00 0.00 H new ATOM 0 HG22 ILE A 92 0.013 -16.143 9.001 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -1.641 -16.032 8.353 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -3.409 -12.709 10.576 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -1.830 -12.991 11.347 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -1.973 -13.025 9.573 1.00 0.00 H new ATOM 1430 N ILE A 93 0.462 -17.773 11.693 1.00 0.00 N ATOM 1431 CA ILE A 93 1.733 -18.486 11.675 1.00 0.00 C ATOM 1432 C ILE A 93 1.475 -19.965 11.943 1.00 0.00 C ATOM 1433 O ILE A 93 2.067 -20.810 11.284 1.00 0.00 O ATOM 1434 CB ILE A 93 2.695 -17.844 12.700 1.00 0.00 C ATOM 1435 CG1 ILE A 93 2.989 -16.400 12.251 1.00 0.00 C ATOM 1436 CG2 ILE A 93 4.012 -18.628 12.834 1.00 0.00 C ATOM 1437 CD1 ILE A 93 3.654 -15.535 13.323 1.00 0.00 C ATOM 0 H ILE A 93 0.371 -17.120 12.471 1.00 0.00 H new ATOM 0 HA ILE A 93 2.213 -18.411 10.699 1.00 0.00 H new ATOM 0 HB ILE A 93 2.216 -17.858 13.679 1.00 0.00 H new ATOM 0 HG12 ILE A 93 3.633 -16.428 11.372 1.00 0.00 H new ATOM 0 HG13 ILE A 93 2.055 -15.928 11.947 1.00 0.00 H new ATOM 0 HG21 ILE A 93 4.654 -18.138 13.565 1.00 0.00 H new ATOM 0 HG22 ILE A 93 3.798 -19.645 13.163 1.00 0.00 H new ATOM 0 HG23 ILE A 93 4.518 -18.657 11.869 1.00 0.00 H new ATOM 0 HD11 ILE A 93 3.827 -14.534 12.927 1.00 0.00 H new ATOM 0 HD12 ILE A 93 3.004 -15.473 14.195 1.00 0.00 H new ATOM 0 HD13 ILE A 93 4.606 -15.981 13.611 1.00 0.00 H new ATOM 1449 N GLN A 94 0.557 -20.288 12.850 1.00 0.00 N ATOM 1450 CA GLN A 94 0.164 -21.663 13.144 1.00 0.00 C ATOM 1451 C GLN A 94 -0.297 -22.365 11.867 1.00 0.00 C ATOM 1452 O GLN A 94 0.143 -23.484 11.597 1.00 0.00 O ATOM 1453 CB GLN A 94 -0.948 -21.700 14.207 1.00 0.00 C ATOM 1454 CG GLN A 94 -0.443 -21.600 15.653 1.00 0.00 C ATOM 1455 CD GLN A 94 0.440 -22.785 16.059 1.00 0.00 C ATOM 1456 OE1 GLN A 94 1.579 -22.615 16.485 1.00 0.00 O ATOM 1457 NE2 GLN A 94 -0.049 -24.009 15.925 1.00 0.00 N ATOM 0 H GLN A 94 0.059 -19.594 13.408 1.00 0.00 H new ATOM 0 HA GLN A 94 1.032 -22.190 13.542 1.00 0.00 H new ATOM 0 HB2 GLN A 94 -1.641 -20.880 14.019 1.00 0.00 H new ATOM 0 HB3 GLN A 94 -1.511 -22.626 14.094 1.00 0.00 H new ATOM 0 HG2 GLN A 94 0.121 -20.675 15.772 1.00 0.00 H new ATOM 0 HG3 GLN A 94 -1.297 -21.542 16.328 1.00 0.00 H new ATOM 0 HE21 GLN A 94 -0.996 -24.144 15.571 1.00 0.00 H new ATOM 0 HE22 GLN A 94 0.521 -24.816 16.176 1.00 0.00 H new ATOM 1466 N ARG A 95 -1.135 -21.705 11.055 1.00 0.00 N ATOM 1467 CA ARG A 95 -1.506 -22.252 9.753 1.00 0.00 C ATOM 1468 C ARG A 95 -0.260 -22.413 8.890 1.00 0.00 C ATOM 1469 O ARG A 95 -0.006 -23.514 8.411 1.00 0.00 O ATOM 1470 CB ARG A 95 -2.558 -21.403 9.038 1.00 0.00 C ATOM 1471 CG ARG A 95 -3.961 -21.578 9.638 1.00 0.00 C ATOM 1472 CD ARG A 95 -4.992 -21.239 8.562 1.00 0.00 C ATOM 1473 NE ARG A 95 -6.368 -21.542 8.990 1.00 0.00 N ATOM 1474 CZ ARG A 95 -7.439 -21.572 8.184 1.00 0.00 C ATOM 1475 NH1 ARG A 95 -7.346 -21.211 6.908 1.00 0.00 N ATOM 1476 NH2 ARG A 95 -8.616 -21.960 8.665 1.00 0.00 N ATOM 0 H ARG A 95 -1.561 -20.805 11.277 1.00 0.00 H new ATOM 0 HA ARG A 95 -1.960 -23.228 9.921 1.00 0.00 H new ATOM 0 HB2 ARG A 95 -2.271 -20.353 9.093 1.00 0.00 H new ATOM 0 HB3 ARG A 95 -2.582 -21.672 7.982 1.00 0.00 H new ATOM 0 HG2 ARG A 95 -4.099 -22.601 9.987 1.00 0.00 H new ATOM 0 HG3 ARG A 95 -4.087 -20.927 10.503 1.00 0.00 H new ATOM 0 HD2 ARG A 95 -4.917 -20.181 8.311 1.00 0.00 H new ATOM 0 HD3 ARG A 95 -4.765 -21.799 7.655 1.00 0.00 H new ATOM 0 HE ARG A 95 -6.518 -21.745 9.978 1.00 0.00 H new ATOM 0 HH11 ARG A 95 -6.450 -20.905 6.528 1.00 0.00 H new ATOM 0 HH12 ARG A 95 -8.171 -21.240 6.308 1.00 0.00 H new ATOM 0 HH21 ARG A 95 -8.702 -22.233 9.644 1.00 0.00 H new ATOM 0 HH22 ARG A 95 -9.433 -21.984 8.055 1.00 0.00 H new ATOM 1490 N ALA A 96 0.527 -21.350 8.711 1.00 0.00 N ATOM 1491 CA ALA A 96 1.695 -21.373 7.840 1.00 0.00 C ATOM 1492 C ALA A 96 2.602 -22.564 8.161 1.00 0.00 C ATOM 1493 O ALA A 96 2.957 -23.331 7.270 1.00 0.00 O ATOM 1494 CB ALA A 96 2.446 -20.040 7.948 1.00 0.00 C ATOM 0 H ALA A 96 0.369 -20.451 9.167 1.00 0.00 H new ATOM 0 HA ALA A 96 1.365 -21.499 6.809 1.00 0.00 H new ATOM 0 HB1 ALA A 96 3.319 -20.060 7.296 1.00 0.00 H new ATOM 0 HB2 ALA A 96 1.787 -19.226 7.647 1.00 0.00 H new ATOM 0 HB3 ALA A 96 2.767 -19.885 8.978 1.00 0.00 H new ATOM 1500 N GLU A 97 2.911 -22.748 9.442 1.00 0.00 N ATOM 1501 CA GLU A 97 3.816 -23.762 9.959 1.00 0.00 C ATOM 1502 C GLU A 97 3.275 -25.178 9.757 1.00 0.00 C ATOM 1503 O GLU A 97 4.055 -26.099 9.516 1.00 0.00 O ATOM 1504 CB GLU A 97 4.053 -23.506 11.457 1.00 0.00 C ATOM 1505 CG GLU A 97 4.867 -22.235 11.742 1.00 0.00 C ATOM 1506 CD GLU A 97 6.369 -22.428 11.489 1.00 0.00 C ATOM 1507 OE1 GLU A 97 7.059 -23.053 12.327 1.00 0.00 O ATOM 1508 OE2 GLU A 97 6.886 -21.923 10.469 1.00 0.00 O ATOM 0 H GLU A 97 2.517 -22.165 10.180 1.00 0.00 H new ATOM 0 HA GLU A 97 4.752 -23.691 9.405 1.00 0.00 H new ATOM 0 HB2 GLU A 97 3.090 -23.431 11.961 1.00 0.00 H new ATOM 0 HB3 GLU A 97 4.572 -24.363 11.886 1.00 0.00 H new ATOM 0 HG2 GLU A 97 4.498 -21.423 11.115 1.00 0.00 H new ATOM 0 HG3 GLU A 97 4.712 -21.933 12.778 1.00 0.00 H new ATOM 1515 N GLU A 98 1.957 -25.370 9.835 1.00 0.00 N ATOM 1516 CA GLU A 98 1.311 -26.647 9.655 1.00 0.00 C ATOM 1517 C GLU A 98 1.338 -27.045 8.169 1.00 0.00 C ATOM 1518 O GLU A 98 1.291 -28.231 7.837 1.00 0.00 O ATOM 1519 CB GLU A 98 -0.106 -26.489 10.237 1.00 0.00 C ATOM 1520 CG GLU A 98 -1.058 -27.596 9.814 1.00 0.00 C ATOM 1521 CD GLU A 98 -2.388 -27.544 10.586 1.00 0.00 C ATOM 1522 OE1 GLU A 98 -2.496 -28.174 11.664 1.00 0.00 O ATOM 1523 OE2 GLU A 98 -3.350 -26.896 10.115 1.00 0.00 O ATOM 0 H GLU A 98 1.302 -24.613 10.031 1.00 0.00 H new ATOM 0 HA GLU A 98 1.819 -27.461 10.172 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -0.044 -26.469 11.325 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -0.515 -25.528 9.923 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -1.256 -27.514 8.745 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -0.583 -28.563 9.976 1.00 0.00 H new ATOM 1530 N LEU A 99 1.448 -26.059 7.273 1.00 0.00 N ATOM 1531 CA LEU A 99 1.249 -26.231 5.841 1.00 0.00 C ATOM 1532 C LEU A 99 2.569 -26.275 5.062 1.00 0.00 C ATOM 1533 O LEU A 99 2.544 -26.677 3.900 1.00 0.00 O ATOM 1534 CB LEU A 99 0.304 -25.119 5.351 1.00 0.00 C ATOM 1535 CG LEU A 99 -1.096 -25.186 6.014 1.00 0.00 C ATOM 1536 CD1 LEU A 99 -1.872 -23.897 5.727 1.00 0.00 C ATOM 1537 CD2 LEU A 99 -1.942 -26.380 5.558 1.00 0.00 C ATOM 0 H LEU A 99 1.683 -25.101 7.534 1.00 0.00 H new ATOM 0 HA LEU A 99 0.790 -27.202 5.653 1.00 0.00 H new ATOM 0 HB2 LEU A 99 0.754 -24.148 5.559 1.00 0.00 H new ATOM 0 HB3 LEU A 99 0.193 -25.193 4.269 1.00 0.00 H new ATOM 0 HG LEU A 99 -0.914 -25.310 7.082 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -2.854 -23.952 6.196 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -1.324 -23.045 6.130 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -1.990 -23.776 4.650 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -2.906 -26.358 6.066 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -2.098 -26.325 4.481 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -1.424 -27.307 5.803 1.00 0.00 H new ATOM 1549 N VAL A 100 3.719 -25.924 5.656 1.00 0.00 N ATOM 1550 CA VAL A 100 5.017 -26.092 4.993 1.00 0.00 C ATOM 1551 C VAL A 100 5.228 -27.574 4.640 1.00 0.00 C ATOM 1552 O VAL A 100 4.881 -28.468 5.417 1.00 0.00 O ATOM 1553 CB VAL A 100 6.193 -25.556 5.850 1.00 0.00 C ATOM 1554 CG1 VAL A 100 7.454 -25.356 4.993 1.00 0.00 C ATOM 1555 CG2 VAL A 100 5.891 -24.216 6.530 1.00 0.00 C ATOM 0 H VAL A 100 3.775 -25.523 6.592 1.00 0.00 H new ATOM 0 HA VAL A 100 5.004 -25.498 4.079 1.00 0.00 H new ATOM 0 HB VAL A 100 6.349 -26.314 6.617 1.00 0.00 H new ATOM 0 HG11 VAL A 100 8.263 -24.980 5.619 1.00 0.00 H new ATOM 0 HG12 VAL A 100 7.749 -26.308 4.552 1.00 0.00 H new ATOM 0 HG13 VAL A 100 7.245 -24.638 4.200 1.00 0.00 H new ATOM 0 HG21 VAL A 100 6.756 -23.900 7.113 1.00 0.00 H new ATOM 0 HG22 VAL A 100 5.671 -23.465 5.772 1.00 0.00 H new ATOM 0 HG23 VAL A 100 5.031 -24.329 7.190 1.00 0.00 H new ATOM 1565 N GLY A 101 5.832 -27.827 3.477 1.00 0.00 N ATOM 1566 CA GLY A 101 6.281 -29.141 3.043 1.00 0.00 C ATOM 1567 C GLY A 101 5.217 -29.913 2.264 1.00 0.00 C ATOM 1568 O GLY A 101 5.535 -30.970 1.717 1.00 0.00 O ATOM 0 H GLY A 101 6.026 -27.096 2.793 1.00 0.00 H new ATOM 0 HA2 GLY A 101 7.168 -29.027 2.419 1.00 0.00 H new ATOM 0 HA3 GLY A 101 6.577 -29.723 3.916 1.00 0.00 H new ATOM 1572 N GLN A 102 3.973 -29.421 2.202 1.00 0.00 N ATOM 1573 CA GLN A 102 2.919 -30.091 1.449 1.00 0.00 C ATOM 1574 C GLN A 102 3.045 -29.722 -0.028 1.00 0.00 C ATOM 1575 O GLN A 102 3.519 -28.633 -0.368 1.00 0.00 O ATOM 1576 CB GLN A 102 1.534 -29.753 2.026 1.00 0.00 C ATOM 1577 CG GLN A 102 0.980 -28.385 1.596 1.00 0.00 C ATOM 1578 CD GLN A 102 -0.263 -27.958 2.379 1.00 0.00 C ATOM 1579 OE1 GLN A 102 -0.862 -28.717 3.138 1.00 0.00 O ATOM 1580 NE2 GLN A 102 -0.699 -26.722 2.195 1.00 0.00 N ATOM 0 H GLN A 102 3.678 -28.562 2.666 1.00 0.00 H new ATOM 0 HA GLN A 102 3.031 -31.172 1.537 1.00 0.00 H new ATOM 0 HB2 GLN A 102 0.829 -30.528 1.723 1.00 0.00 H new ATOM 0 HB3 GLN A 102 1.591 -29.782 3.114 1.00 0.00 H new ATOM 0 HG2 GLN A 102 1.757 -27.631 1.723 1.00 0.00 H new ATOM 0 HG3 GLN A 102 0.738 -28.417 0.534 1.00 0.00 H new ATOM 0 HE21 GLN A 102 -0.200 -26.094 1.565 1.00 0.00 H new ATOM 0 HE22 GLN A 102 -1.534 -26.398 2.683 1.00 0.00 H new ATOM 1589 N GLU A 103 2.566 -30.602 -0.901 1.00 0.00 N ATOM 1590 CA GLU A 103 2.532 -30.395 -2.334 1.00 0.00 C ATOM 1591 C GLU A 103 1.120 -29.999 -2.751 1.00 0.00 C ATOM 1592 O GLU A 103 0.135 -30.375 -2.107 1.00 0.00 O ATOM 1593 CB GLU A 103 2.976 -31.662 -3.099 1.00 0.00 C ATOM 1594 CG GLU A 103 4.086 -32.511 -2.445 1.00 0.00 C ATOM 1595 CD GLU A 103 3.532 -33.647 -1.554 1.00 0.00 C ATOM 1596 OE1 GLU A 103 2.784 -33.381 -0.584 1.00 0.00 O ATOM 1597 OE2 GLU A 103 3.852 -34.829 -1.817 1.00 0.00 O ATOM 0 H GLU A 103 2.181 -31.503 -0.617 1.00 0.00 H new ATOM 0 HA GLU A 103 3.231 -29.597 -2.585 1.00 0.00 H new ATOM 0 HB2 GLU A 103 2.102 -32.297 -3.243 1.00 0.00 H new ATOM 0 HB3 GLU A 103 3.317 -31.360 -4.089 1.00 0.00 H new ATOM 0 HG2 GLU A 103 4.714 -32.942 -3.225 1.00 0.00 H new ATOM 0 HG3 GLU A 103 4.724 -31.864 -1.844 1.00 0.00 H new ATOM 1604 N VAL A 104 1.028 -29.281 -3.865 1.00 0.00 N ATOM 1605 CA VAL A 104 -0.206 -28.882 -4.503 1.00 0.00 C ATOM 1606 C VAL A 104 -0.055 -29.124 -6.005 1.00 0.00 C ATOM 1607 O VAL A 104 1.035 -28.994 -6.562 1.00 0.00 O ATOM 1608 CB VAL A 104 -0.504 -27.409 -4.179 1.00 0.00 C ATOM 1609 CG1 VAL A 104 -0.933 -27.215 -2.716 1.00 0.00 C ATOM 1610 CG2 VAL A 104 0.653 -26.450 -4.491 1.00 0.00 C ATOM 0 H VAL A 104 1.853 -28.950 -4.365 1.00 0.00 H new ATOM 0 HA VAL A 104 -1.050 -29.465 -4.135 1.00 0.00 H new ATOM 0 HB VAL A 104 -1.330 -27.153 -4.843 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -1.133 -26.159 -2.532 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -1.835 -27.795 -2.522 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -0.135 -27.553 -2.055 1.00 0.00 H new ATOM 0 HG21 VAL A 104 0.361 -25.432 -4.234 1.00 0.00 H new ATOM 0 HG22 VAL A 104 1.529 -26.735 -3.908 1.00 0.00 H new ATOM 0 HG23 VAL A 104 0.892 -26.502 -5.553 1.00 0.00 H new ATOM 1620 N LEU A 105 -1.153 -29.460 -6.680 1.00 0.00 N ATOM 1621 CA LEU A 105 -1.139 -29.888 -8.081 1.00 0.00 C ATOM 1622 C LEU A 105 -1.614 -28.757 -8.996 1.00 0.00 C ATOM 1623 O LEU A 105 -2.299 -28.968 -9.999 1.00 0.00 O ATOM 1624 CB LEU A 105 -2.002 -31.139 -8.238 1.00 0.00 C ATOM 1625 CG LEU A 105 -1.536 -32.376 -7.443 1.00 0.00 C ATOM 1626 CD1 LEU A 105 -2.494 -33.543 -7.703 1.00 0.00 C ATOM 1627 CD2 LEU A 105 -0.106 -32.802 -7.803 1.00 0.00 C ATOM 0 H LEU A 105 -2.086 -29.443 -6.268 1.00 0.00 H new ATOM 0 HA LEU A 105 -0.119 -30.133 -8.376 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -3.020 -30.896 -7.934 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -2.040 -31.402 -9.295 1.00 0.00 H new ATOM 0 HG LEU A 105 -1.541 -32.104 -6.388 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -2.164 -34.417 -7.141 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -3.499 -33.266 -7.386 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -2.501 -33.778 -8.767 1.00 0.00 H new ATOM 0 HD21 LEU A 105 0.172 -33.677 -7.215 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -0.055 -33.047 -8.864 1.00 0.00 H new ATOM 0 HD23 LEU A 105 0.582 -31.985 -7.586 1.00 0.00 H new ATOM 1639 N TYR A 106 -1.261 -27.542 -8.600 1.00 0.00 N ATOM 1640 CA TYR A 106 -1.386 -26.329 -9.388 1.00 0.00 C ATOM 1641 C TYR A 106 -0.018 -25.652 -9.451 1.00 0.00 C ATOM 1642 O TYR A 106 0.786 -25.738 -8.520 1.00 0.00 O ATOM 1643 CB TYR A 106 -2.489 -25.415 -8.831 1.00 0.00 C ATOM 1644 CG TYR A 106 -2.340 -24.954 -7.387 1.00 0.00 C ATOM 1645 CD1 TYR A 106 -1.365 -23.998 -7.037 1.00 0.00 C ATOM 1646 CD2 TYR A 106 -3.217 -25.444 -6.399 1.00 0.00 C ATOM 1647 CE1 TYR A 106 -1.258 -23.544 -5.711 1.00 0.00 C ATOM 1648 CE2 TYR A 106 -3.128 -24.980 -5.073 1.00 0.00 C ATOM 1649 CZ TYR A 106 -2.145 -24.025 -4.723 1.00 0.00 C ATOM 1650 OH TYR A 106 -2.042 -23.563 -3.445 1.00 0.00 O ATOM 0 H TYR A 106 -0.861 -27.370 -7.677 1.00 0.00 H new ATOM 0 HA TYR A 106 -1.697 -26.567 -10.405 1.00 0.00 H new ATOM 0 HB2 TYR A 106 -2.548 -24.530 -9.465 1.00 0.00 H new ATOM 0 HB3 TYR A 106 -3.441 -25.938 -8.923 1.00 0.00 H new ATOM 0 HD1 TYR A 106 -0.696 -23.612 -7.792 1.00 0.00 H new ATOM 0 HD2 TYR A 106 -3.962 -26.180 -6.661 1.00 0.00 H new ATOM 0 HE1 TYR A 106 -0.496 -22.826 -5.447 1.00 0.00 H new ATOM 0 HE2 TYR A 106 -3.810 -25.353 -4.323 1.00 0.00 H new ATOM 0 HH TYR A 106 -2.724 -23.991 -2.887 1.00 0.00 H new ATOM 1660 N LYS A 107 0.255 -24.999 -10.578 1.00 0.00 N ATOM 1661 CA LYS A 107 1.477 -24.322 -10.913 1.00 0.00 C ATOM 1662 C LYS A 107 1.598 -23.021 -10.123 1.00 0.00 C ATOM 1663 O LYS A 107 0.598 -22.487 -9.634 1.00 0.00 O ATOM 1664 CB LYS A 107 1.329 -24.000 -12.409 1.00 0.00 C ATOM 1665 CG LYS A 107 2.681 -23.865 -13.085 1.00 0.00 C ATOM 1666 CD LYS A 107 2.532 -23.603 -14.589 1.00 0.00 C ATOM 1667 CE LYS A 107 3.911 -23.371 -15.219 1.00 0.00 C ATOM 1668 NZ LYS A 107 3.828 -23.171 -16.688 1.00 0.00 N ATOM 0 H LYS A 107 -0.433 -24.932 -11.328 1.00 0.00 H new ATOM 0 HA LYS A 107 2.359 -24.922 -10.687 1.00 0.00 H new ATOM 0 HB2 LYS A 107 0.754 -24.787 -12.897 1.00 0.00 H new ATOM 0 HB3 LYS A 107 0.767 -23.074 -12.529 1.00 0.00 H new ATOM 0 HG2 LYS A 107 3.239 -23.049 -12.626 1.00 0.00 H new ATOM 0 HG3 LYS A 107 3.260 -24.775 -12.928 1.00 0.00 H new ATOM 0 HD2 LYS A 107 2.042 -24.451 -15.068 1.00 0.00 H new ATOM 0 HD3 LYS A 107 1.896 -22.733 -14.754 1.00 0.00 H new ATOM 0 HE2 LYS A 107 4.376 -22.498 -14.761 1.00 0.00 H new ATOM 0 HE3 LYS A 107 4.555 -24.224 -15.006 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 4.782 -23.018 -17.072 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 3.408 -24.014 -17.130 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 3.235 -22.341 -16.892 1.00 0.00 H new ATOM 1682 N LEU A 108 2.801 -22.455 -10.077 1.00 0.00 N ATOM 1683 CA LEU A 108 2.991 -21.103 -9.571 1.00 0.00 C ATOM 1684 C LEU A 108 2.347 -20.126 -10.550 1.00 0.00 C ATOM 1685 O LEU A 108 2.676 -20.136 -11.738 1.00 0.00 O ATOM 1686 CB LEU A 108 4.484 -20.769 -9.411 1.00 0.00 C ATOM 1687 CG LEU A 108 5.257 -21.731 -8.494 1.00 0.00 C ATOM 1688 CD1 LEU A 108 6.679 -21.214 -8.278 1.00 0.00 C ATOM 1689 CD2 LEU A 108 4.556 -21.911 -7.149 1.00 0.00 C ATOM 0 H LEU A 108 3.658 -22.914 -10.385 1.00 0.00 H new ATOM 0 HA LEU A 108 2.527 -21.024 -8.588 1.00 0.00 H new ATOM 0 HB2 LEU A 108 4.952 -20.771 -10.396 1.00 0.00 H new ATOM 0 HB3 LEU A 108 4.577 -19.757 -9.016 1.00 0.00 H new ATOM 0 HG LEU A 108 5.293 -22.704 -8.983 1.00 0.00 H new ATOM 0 HD11 LEU A 108 7.221 -21.900 -7.627 1.00 0.00 H new ATOM 0 HD12 LEU A 108 7.190 -21.144 -9.238 1.00 0.00 H new ATOM 0 HD13 LEU A 108 6.641 -20.228 -7.814 1.00 0.00 H new ATOM 0 HD21 LEU A 108 5.131 -22.597 -6.528 1.00 0.00 H new ATOM 0 HD22 LEU A 108 4.478 -20.946 -6.647 1.00 0.00 H new ATOM 0 HD23 LEU A 108 3.558 -22.318 -7.311 1.00 0.00 H new ATOM 1701 N THR A 109 1.473 -19.267 -10.038 1.00 0.00 N ATOM 1702 CA THR A 109 0.922 -18.113 -10.730 1.00 0.00 C ATOM 1703 C THR A 109 0.753 -17.035 -9.661 1.00 0.00 C ATOM 1704 O THR A 109 0.654 -17.353 -8.468 1.00 0.00 O ATOM 1705 CB THR A 109 -0.425 -18.428 -11.416 1.00 0.00 C ATOM 1706 OG1 THR A 109 -1.394 -18.834 -10.471 1.00 0.00 O ATOM 1707 CG2 THR A 109 -0.324 -19.512 -12.495 1.00 0.00 C ATOM 0 H THR A 109 1.115 -19.362 -9.088 1.00 0.00 H new ATOM 0 HA THR A 109 1.585 -17.792 -11.533 1.00 0.00 H new ATOM 0 HB THR A 109 -0.722 -17.497 -11.898 1.00 0.00 H new ATOM 0 HG1 THR A 109 -2.199 -18.285 -10.572 1.00 0.00 H new ATOM 0 HG21 THR A 109 -1.307 -19.681 -12.934 1.00 0.00 H new ATOM 0 HG22 THR A 109 0.369 -19.189 -13.272 1.00 0.00 H new ATOM 0 HG23 THR A 109 0.038 -20.438 -12.048 1.00 0.00 H new ATOM 1715 N SER A 110 0.677 -15.769 -10.073 1.00 0.00 N ATOM 1716 CA SER A 110 0.404 -14.658 -9.175 1.00 0.00 C ATOM 1717 C SER A 110 -0.861 -14.955 -8.357 1.00 0.00 C ATOM 1718 O SER A 110 -0.867 -14.787 -7.138 1.00 0.00 O ATOM 1719 CB SER A 110 0.252 -13.366 -10.000 1.00 0.00 C ATOM 1720 OG SER A 110 1.036 -13.390 -11.190 1.00 0.00 O ATOM 0 H SER A 110 0.805 -15.489 -11.046 1.00 0.00 H new ATOM 0 HA SER A 110 1.231 -14.525 -8.477 1.00 0.00 H new ATOM 0 HB2 SER A 110 -0.797 -13.225 -10.261 1.00 0.00 H new ATOM 0 HB3 SER A 110 0.546 -12.511 -9.391 1.00 0.00 H new ATOM 0 HG SER A 110 0.908 -12.553 -11.683 1.00 0.00 H new ATOM 1726 N GLU A 111 -1.909 -15.460 -9.021 1.00 0.00 N ATOM 1727 CA GLU A 111 -3.206 -15.717 -8.412 1.00 0.00 C ATOM 1728 C GLU A 111 -3.142 -16.893 -7.434 1.00 0.00 C ATOM 1729 O GLU A 111 -3.700 -16.794 -6.344 1.00 0.00 O ATOM 1730 CB GLU A 111 -4.232 -15.965 -9.529 1.00 0.00 C ATOM 1731 CG GLU A 111 -5.661 -16.103 -8.988 1.00 0.00 C ATOM 1732 CD GLU A 111 -6.686 -16.224 -10.129 1.00 0.00 C ATOM 1733 OE1 GLU A 111 -6.975 -17.355 -10.582 1.00 0.00 O ATOM 1734 OE2 GLU A 111 -7.234 -15.188 -10.574 1.00 0.00 O ATOM 0 H GLU A 111 -1.872 -15.703 -10.011 1.00 0.00 H new ATOM 0 HA GLU A 111 -3.512 -14.849 -7.828 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -4.194 -15.142 -10.243 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -3.963 -16.871 -10.072 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -5.725 -16.981 -8.345 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -5.903 -15.238 -8.370 1.00 0.00 H new ATOM 1741 N ASN A 112 -2.469 -17.996 -7.785 1.00 0.00 N ATOM 1742 CA ASN A 112 -2.440 -19.180 -6.924 1.00 0.00 C ATOM 1743 C ASN A 112 -1.685 -18.880 -5.635 1.00 0.00 C ATOM 1744 O ASN A 112 -2.130 -19.278 -4.555 1.00 0.00 O ATOM 1745 CB ASN A 112 -1.791 -20.380 -7.635 1.00 0.00 C ATOM 1746 CG ASN A 112 -2.716 -21.076 -8.632 1.00 0.00 C ATOM 1747 OD1 ASN A 112 -3.940 -20.996 -8.546 1.00 0.00 O ATOM 1748 ND2 ASN A 112 -2.161 -21.788 -9.598 1.00 0.00 N ATOM 0 H ASN A 112 -1.942 -18.091 -8.653 1.00 0.00 H new ATOM 0 HA ASN A 112 -3.472 -19.439 -6.689 1.00 0.00 H new ATOM 0 HB2 ASN A 112 -0.897 -20.041 -8.158 1.00 0.00 H new ATOM 0 HB3 ASN A 112 -1.468 -21.103 -6.886 1.00 0.00 H new ATOM 0 HD21 ASN A 112 -2.749 -22.274 -10.276 1.00 0.00 H new ATOM 0 HD22 ASN A 112 -1.145 -21.852 -9.666 1.00 0.00 H new ATOM 1755 N CYS A 113 -0.562 -18.165 -5.729 1.00 0.00 N ATOM 1756 CA CYS A 113 0.205 -17.799 -4.552 1.00 0.00 C ATOM 1757 C CYS A 113 -0.594 -16.811 -3.696 1.00 0.00 C ATOM 1758 O CYS A 113 -0.667 -16.995 -2.481 1.00 0.00 O ATOM 1759 CB CYS A 113 1.558 -17.224 -4.978 1.00 0.00 C ATOM 1760 SG CYS A 113 2.443 -18.452 -5.988 1.00 0.00 S ATOM 0 H CYS A 113 -0.170 -17.832 -6.610 1.00 0.00 H new ATOM 0 HA CYS A 113 0.396 -18.682 -3.942 1.00 0.00 H new ATOM 0 HB2 CYS A 113 1.413 -16.305 -5.546 1.00 0.00 H new ATOM 0 HB3 CYS A 113 2.149 -16.965 -4.099 1.00 0.00 H new ATOM 0 HG CYS A 113 2.020 -18.391 -7.216 1.00 0.00 H new ATOM 1766 N GLU A 114 -1.229 -15.806 -4.316 1.00 0.00 N ATOM 1767 CA GLU A 114 -2.057 -14.824 -3.617 1.00 0.00 C ATOM 1768 C GLU A 114 -3.192 -15.524 -2.867 1.00 0.00 C ATOM 1769 O GLU A 114 -3.440 -15.224 -1.696 1.00 0.00 O ATOM 1770 CB GLU A 114 -2.618 -13.804 -4.622 1.00 0.00 C ATOM 1771 CG GLU A 114 -3.359 -12.644 -3.941 1.00 0.00 C ATOM 1772 CD GLU A 114 -3.912 -11.609 -4.941 1.00 0.00 C ATOM 1773 OE1 GLU A 114 -3.268 -11.303 -5.971 1.00 0.00 O ATOM 1774 OE2 GLU A 114 -5.019 -11.082 -4.686 1.00 0.00 O ATOM 0 H GLU A 114 -1.179 -15.654 -5.323 1.00 0.00 H new ATOM 0 HA GLU A 114 -1.443 -14.295 -2.888 1.00 0.00 H new ATOM 0 HB2 GLU A 114 -1.800 -13.405 -5.222 1.00 0.00 H new ATOM 0 HB3 GLU A 114 -3.298 -14.311 -5.307 1.00 0.00 H new ATOM 0 HG2 GLU A 114 -4.182 -13.044 -3.349 1.00 0.00 H new ATOM 0 HG3 GLU A 114 -2.682 -12.145 -3.248 1.00 0.00 H new ATOM 1781 N HIS A 115 -3.858 -16.474 -3.529 1.00 0.00 N ATOM 1782 CA HIS A 115 -4.964 -17.233 -2.969 1.00 0.00 C ATOM 1783 C HIS A 115 -4.499 -17.929 -1.697 1.00 0.00 C ATOM 1784 O HIS A 115 -5.123 -17.764 -0.648 1.00 0.00 O ATOM 1785 CB HIS A 115 -5.494 -18.241 -4.007 1.00 0.00 C ATOM 1786 CG HIS A 115 -6.452 -19.243 -3.407 1.00 0.00 C ATOM 1787 ND1 HIS A 115 -7.836 -19.086 -3.301 1.00 0.00 N ATOM 1788 CD2 HIS A 115 -6.081 -20.375 -2.739 1.00 0.00 C ATOM 1789 CE1 HIS A 115 -8.258 -20.108 -2.533 1.00 0.00 C ATOM 1790 NE2 HIS A 115 -7.224 -20.886 -2.172 1.00 0.00 N ATOM 0 H HIS A 115 -3.634 -16.737 -4.489 1.00 0.00 H new ATOM 0 HA HIS A 115 -5.785 -16.563 -2.715 1.00 0.00 H new ATOM 0 HB2 HIS A 115 -5.995 -17.700 -4.810 1.00 0.00 H new ATOM 0 HB3 HIS A 115 -4.654 -18.771 -4.456 1.00 0.00 H new ATOM 0 HD2 HIS A 115 -5.085 -20.788 -2.670 1.00 0.00 H new ATOM 0 HE1 HIS A 115 -9.285 -20.279 -2.247 1.00 0.00 H new ATOM 0 HE2 HIS A 115 -7.278 -21.714 -1.579 1.00 0.00 H new ATOM 1798 N PHE A 116 -3.387 -18.669 -1.771 1.00 0.00 N ATOM 1799 CA PHE A 116 -2.924 -19.446 -0.638 1.00 0.00 C ATOM 1800 C PHE A 116 -2.602 -18.546 0.546 1.00 0.00 C ATOM 1801 O PHE A 116 -3.074 -18.811 1.646 1.00 0.00 O ATOM 1802 CB PHE A 116 -1.706 -20.289 -1.031 1.00 0.00 C ATOM 1803 CG PHE A 116 -0.948 -20.862 0.159 1.00 0.00 C ATOM 1804 CD1 PHE A 116 -1.349 -22.074 0.754 1.00 0.00 C ATOM 1805 CD2 PHE A 116 0.153 -20.160 0.692 1.00 0.00 C ATOM 1806 CE1 PHE A 116 -0.650 -22.576 1.867 1.00 0.00 C ATOM 1807 CE2 PHE A 116 0.840 -20.651 1.813 1.00 0.00 C ATOM 1808 CZ PHE A 116 0.442 -21.867 2.398 1.00 0.00 C ATOM 0 H PHE A 116 -2.801 -18.740 -2.603 1.00 0.00 H new ATOM 0 HA PHE A 116 -3.726 -20.120 -0.335 1.00 0.00 H new ATOM 0 HB2 PHE A 116 -2.034 -21.109 -1.671 1.00 0.00 H new ATOM 0 HB3 PHE A 116 -1.026 -19.676 -1.622 1.00 0.00 H new ATOM 0 HD1 PHE A 116 -2.193 -22.618 0.356 1.00 0.00 H new ATOM 0 HD2 PHE A 116 0.471 -19.235 0.233 1.00 0.00 H new ATOM 0 HE1 PHE A 116 -0.954 -23.510 2.316 1.00 0.00 H new ATOM 0 HE2 PHE A 116 1.671 -20.098 2.225 1.00 0.00 H new ATOM 0 HZ PHE A 116 0.974 -22.255 3.254 1.00 0.00 H new ATOM 1818 N VAL A 117 -1.829 -17.479 0.349 1.00 0.00 N ATOM 1819 CA VAL A 117 -1.431 -16.658 1.489 1.00 0.00 C ATOM 1820 C VAL A 117 -2.657 -15.976 2.119 1.00 0.00 C ATOM 1821 O VAL A 117 -2.722 -15.833 3.342 1.00 0.00 O ATOM 1822 CB VAL A 117 -0.286 -15.693 1.133 1.00 0.00 C ATOM 1823 CG1 VAL A 117 0.947 -16.458 0.628 1.00 0.00 C ATOM 1824 CG2 VAL A 117 -0.660 -14.622 0.103 1.00 0.00 C ATOM 0 H VAL A 117 -1.476 -17.171 -0.557 1.00 0.00 H new ATOM 0 HA VAL A 117 -1.015 -17.308 2.259 1.00 0.00 H new ATOM 0 HB VAL A 117 -0.061 -15.177 2.066 1.00 0.00 H new ATOM 0 HG11 VAL A 117 1.740 -15.750 0.384 1.00 0.00 H new ATOM 0 HG12 VAL A 117 1.295 -17.140 1.404 1.00 0.00 H new ATOM 0 HG13 VAL A 117 0.682 -17.027 -0.263 1.00 0.00 H new ATOM 0 HG21 VAL A 117 0.204 -13.985 -0.090 1.00 0.00 H new ATOM 0 HG22 VAL A 117 -0.971 -15.102 -0.825 1.00 0.00 H new ATOM 0 HG23 VAL A 117 -1.479 -14.015 0.490 1.00 0.00 H new ATOM 1834 N ASN A 118 -3.677 -15.627 1.324 1.00 0.00 N ATOM 1835 CA ASN A 118 -4.921 -15.073 1.859 1.00 0.00 C ATOM 1836 C ASN A 118 -5.691 -16.121 2.662 1.00 0.00 C ATOM 1837 O ASN A 118 -6.320 -15.778 3.661 1.00 0.00 O ATOM 1838 CB ASN A 118 -5.802 -14.476 0.752 1.00 0.00 C ATOM 1839 CG ASN A 118 -5.368 -13.060 0.406 1.00 0.00 C ATOM 1840 OD1 ASN A 118 -5.944 -12.094 0.886 1.00 0.00 O ATOM 1841 ND2 ASN A 118 -4.316 -12.896 -0.376 1.00 0.00 N ATOM 0 H ASN A 118 -3.662 -15.720 0.308 1.00 0.00 H new ATOM 0 HA ASN A 118 -4.648 -14.261 2.533 1.00 0.00 H new ATOM 0 HB2 ASN A 118 -5.747 -15.103 -0.138 1.00 0.00 H new ATOM 0 HB3 ASN A 118 -6.843 -14.471 1.075 1.00 0.00 H new ATOM 0 HD21 ASN A 118 -3.977 -11.957 -0.584 1.00 0.00 H new ATOM 0 HD22 ASN A 118 -3.843 -13.709 -0.771 1.00 0.00 H new ATOM 1848 N GLU A 119 -5.590 -17.397 2.291 1.00 0.00 N ATOM 1849 CA GLU A 119 -6.103 -18.528 3.059 1.00 0.00 C ATOM 1850 C GLU A 119 -5.467 -18.625 4.456 1.00 0.00 C ATOM 1851 O GLU A 119 -6.044 -19.255 5.345 1.00 0.00 O ATOM 1852 CB GLU A 119 -5.890 -19.834 2.261 1.00 0.00 C ATOM 1853 CG GLU A 119 -7.160 -20.681 2.178 1.00 0.00 C ATOM 1854 CD GLU A 119 -6.902 -22.053 1.526 1.00 0.00 C ATOM 1855 OE1 GLU A 119 -6.468 -22.993 2.230 1.00 0.00 O ATOM 1856 OE2 GLU A 119 -7.165 -22.212 0.312 1.00 0.00 O ATOM 0 H GLU A 119 -5.136 -17.679 1.422 1.00 0.00 H new ATOM 0 HA GLU A 119 -7.170 -18.370 3.217 1.00 0.00 H new ATOM 0 HB2 GLU A 119 -5.553 -19.590 1.254 1.00 0.00 H new ATOM 0 HB3 GLU A 119 -5.098 -20.418 2.730 1.00 0.00 H new ATOM 0 HG2 GLU A 119 -7.564 -20.827 3.180 1.00 0.00 H new ATOM 0 HG3 GLU A 119 -7.916 -20.144 1.605 1.00 0.00 H new ATOM 1863 N LEU A 120 -4.306 -18.002 4.685 1.00 0.00 N ATOM 1864 CA LEU A 120 -3.621 -18.012 5.971 1.00 0.00 C ATOM 1865 C LEU A 120 -3.900 -16.715 6.732 1.00 0.00 C ATOM 1866 O LEU A 120 -4.186 -16.785 7.924 1.00 0.00 O ATOM 1867 CB LEU A 120 -2.109 -18.231 5.786 1.00 0.00 C ATOM 1868 CG LEU A 120 -1.654 -19.691 5.616 1.00 0.00 C ATOM 1869 CD1 LEU A 120 -2.451 -20.508 4.598 1.00 0.00 C ATOM 1870 CD2 LEU A 120 -0.181 -19.703 5.205 1.00 0.00 C ATOM 0 H LEU A 120 -3.813 -17.470 3.968 1.00 0.00 H new ATOM 0 HA LEU A 120 -4.006 -18.844 6.561 1.00 0.00 H new ATOM 0 HB2 LEU A 120 -1.785 -17.666 4.912 1.00 0.00 H new ATOM 0 HB3 LEU A 120 -1.593 -17.809 6.648 1.00 0.00 H new ATOM 0 HG LEU A 120 -1.825 -20.168 6.581 1.00 0.00 H new ATOM 0 HD11 LEU A 120 -2.052 -21.521 4.553 1.00 0.00 H new ATOM 0 HD12 LEU A 120 -3.498 -20.543 4.899 1.00 0.00 H new ATOM 0 HD13 LEU A 120 -2.371 -20.043 3.616 1.00 0.00 H new ATOM 0 HD21 LEU A 120 0.154 -20.733 5.081 1.00 0.00 H new ATOM 0 HD22 LEU A 120 -0.062 -19.167 4.263 1.00 0.00 H new ATOM 0 HD23 LEU A 120 0.416 -19.218 5.977 1.00 0.00 H new ATOM 1882 N ARG A 121 -3.851 -15.542 6.082 1.00 0.00 N ATOM 1883 CA ARG A 121 -4.144 -14.265 6.753 1.00 0.00 C ATOM 1884 C ARG A 121 -5.622 -14.158 7.130 1.00 0.00 C ATOM 1885 O ARG A 121 -5.932 -13.714 8.234 1.00 0.00 O ATOM 1886 CB ARG A 121 -3.704 -13.079 5.873 1.00 0.00 C ATOM 1887 CG ARG A 121 -4.062 -11.678 6.412 1.00 0.00 C ATOM 1888 CD ARG A 121 -3.493 -11.395 7.804 1.00 0.00 C ATOM 1889 NE ARG A 121 -3.734 -10.007 8.242 1.00 0.00 N ATOM 1890 CZ ARG A 121 -2.814 -9.094 8.585 1.00 0.00 C ATOM 1891 NH1 ARG A 121 -1.515 -9.382 8.588 1.00 0.00 N ATOM 1892 NH2 ARG A 121 -3.222 -7.880 8.933 1.00 0.00 N ATOM 0 H ARG A 121 -3.612 -15.451 5.095 1.00 0.00 H new ATOM 0 HA ARG A 121 -3.571 -14.232 7.680 1.00 0.00 H new ATOM 0 HB2 ARG A 121 -2.624 -13.131 5.738 1.00 0.00 H new ATOM 0 HB3 ARG A 121 -4.154 -13.195 4.887 1.00 0.00 H new ATOM 0 HG2 ARG A 121 -3.692 -10.925 5.717 1.00 0.00 H new ATOM 0 HG3 ARG A 121 -5.147 -11.576 6.444 1.00 0.00 H new ATOM 0 HD2 ARG A 121 -3.940 -12.082 8.522 1.00 0.00 H new ATOM 0 HD3 ARG A 121 -2.421 -11.591 7.801 1.00 0.00 H new ATOM 0 HE ARG A 121 -4.708 -9.709 8.289 1.00 0.00 H new ATOM 0 HH11 ARG A 121 -1.199 -10.316 8.325 1.00 0.00 H new ATOM 0 HH12 ARG A 121 -0.835 -8.669 8.853 1.00 0.00 H new ATOM 0 HH21 ARG A 121 -4.218 -7.658 8.936 1.00 0.00 H new ATOM 0 HH22 ARG A 121 -2.540 -7.169 9.198 1.00 0.00 H new ATOM 1906 N TYR A 122 -6.524 -14.552 6.230 1.00 0.00 N ATOM 1907 CA TYR A 122 -7.963 -14.319 6.380 1.00 0.00 C ATOM 1908 C TYR A 122 -8.763 -15.619 6.493 1.00 0.00 C ATOM 1909 O TYR A 122 -9.990 -15.576 6.582 1.00 0.00 O ATOM 1910 CB TYR A 122 -8.483 -13.439 5.228 1.00 0.00 C ATOM 1911 CG TYR A 122 -7.768 -12.108 5.068 1.00 0.00 C ATOM 1912 CD1 TYR A 122 -8.017 -11.054 5.968 1.00 0.00 C ATOM 1913 CD2 TYR A 122 -6.846 -11.924 4.021 1.00 0.00 C ATOM 1914 CE1 TYR A 122 -7.312 -9.842 5.856 1.00 0.00 C ATOM 1915 CE2 TYR A 122 -6.156 -10.706 3.887 1.00 0.00 C ATOM 1916 CZ TYR A 122 -6.370 -9.669 4.819 1.00 0.00 C ATOM 1917 OH TYR A 122 -5.651 -8.518 4.724 1.00 0.00 O ATOM 0 H TYR A 122 -6.277 -15.044 5.372 1.00 0.00 H new ATOM 0 HA TYR A 122 -8.110 -13.789 7.321 1.00 0.00 H new ATOM 0 HB2 TYR A 122 -8.395 -13.997 4.296 1.00 0.00 H new ATOM 0 HB3 TYR A 122 -9.544 -13.248 5.386 1.00 0.00 H new ATOM 0 HD1 TYR A 122 -8.753 -11.177 6.749 1.00 0.00 H new ATOM 0 HD2 TYR A 122 -6.667 -12.723 3.316 1.00 0.00 H new ATOM 0 HE1 TYR A 122 -7.491 -9.045 6.562 1.00 0.00 H new ATOM 0 HE2 TYR A 122 -5.463 -10.565 3.071 1.00 0.00 H new ATOM 0 HH TYR A 122 -4.894 -8.654 4.117 1.00 0.00 H new ATOM 1927 N GLY A 123 -8.106 -16.783 6.496 1.00 0.00 N ATOM 1928 CA GLY A 123 -8.748 -18.073 6.728 1.00 0.00 C ATOM 1929 C GLY A 123 -9.267 -18.699 5.434 1.00 0.00 C ATOM 1930 O GLY A 123 -9.258 -19.924 5.298 1.00 0.00 O ATOM 0 H GLY A 123 -7.101 -16.853 6.335 1.00 0.00 H new ATOM 0 HA2 GLY A 123 -8.037 -18.752 7.198 1.00 0.00 H new ATOM 0 HA3 GLY A 123 -9.576 -17.945 7.426 1.00 0.00 H new ATOM 1934 N VAL A 124 -9.663 -17.876 4.464 1.00 0.00 N ATOM 1935 CA VAL A 124 -9.981 -18.266 3.099 1.00 0.00 C ATOM 1936 C VAL A 124 -9.788 -17.011 2.234 1.00 0.00 C ATOM 1937 O VAL A 124 -10.092 -15.904 2.695 1.00 0.00 O ATOM 1938 CB VAL A 124 -11.401 -18.883 3.042 1.00 0.00 C ATOM 1939 CG1 VAL A 124 -12.532 -17.906 3.399 1.00 0.00 C ATOM 1940 CG2 VAL A 124 -11.673 -19.536 1.681 1.00 0.00 C ATOM 0 H VAL A 124 -9.775 -16.874 4.620 1.00 0.00 H new ATOM 0 HA VAL A 124 -9.328 -19.049 2.713 1.00 0.00 H new ATOM 0 HB VAL A 124 -11.405 -19.648 3.819 1.00 0.00 H new ATOM 0 HG11 VAL A 124 -13.491 -18.420 3.334 1.00 0.00 H new ATOM 0 HG12 VAL A 124 -12.387 -17.536 4.414 1.00 0.00 H new ATOM 0 HG13 VAL A 124 -12.522 -17.067 2.703 1.00 0.00 H new ATOM 0 HG21 VAL A 124 -12.678 -19.959 1.675 1.00 0.00 H new ATOM 0 HG22 VAL A 124 -11.590 -18.786 0.894 1.00 0.00 H new ATOM 0 HG23 VAL A 124 -10.945 -20.328 1.505 1.00 0.00 H new ATOM 1950 N ALA A 125 -9.248 -17.156 1.017 1.00 0.00 N ATOM 1951 CA ALA A 125 -9.229 -16.056 0.055 1.00 0.00 C ATOM 1952 C ALA A 125 -10.649 -15.557 -0.222 1.00 0.00 C ATOM 1953 O ALA A 125 -11.553 -16.390 -0.448 1.00 0.00 O ATOM 1954 CB ALA A 125 -8.544 -16.485 -1.242 1.00 0.00 C ATOM 1955 OXT ALA A 125 -10.850 -14.327 -0.259 1.00 0.00 O ATOM 0 H ALA A 125 -8.822 -18.020 0.680 1.00 0.00 H new ATOM 0 HA ALA A 125 -8.657 -15.235 0.486 1.00 0.00 H new ATOM 0 HB1 ALA A 125 -8.541 -15.652 -1.945 1.00 0.00 H new ATOM 0 HB2 ALA A 125 -7.518 -16.785 -1.030 1.00 0.00 H new ATOM 0 HB3 ALA A 125 -9.084 -17.325 -1.678 1.00 0.00 H new