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= -0.05 K(o=2.1,f=-4.1!) USER MOD Set 1.2: A 35 HIS : no HD1:sc= 1.93 K(o=2.1,f=-10!) USER MOD Set 1.3: A 113 CYS SG : rot 70:sc= 0.184 USER MOD Set 2.1: A 109 THR OG1 : rot 180:sc= 0.4 USER MOD Set 2.2: A 112 ASN : amide:sc= 0.993 K(o=1.4,f=-1.2!) USER MOD Set 3.1: A 90 SER OG : rot -173:sc= 0.75 USER MOD Set 3.2: A 91 LYS NZ :NH3+ 145:sc= 0.852 (180deg=-0.0535) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 TYR OH : rot 180:sc= 0 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= 1.28 (180deg=1.28) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 LYS NZ :NH3+ 166:sc= 1.28 (180deg=1.19) USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot -100:sc= 0.71 USER MOD Single : A 73 LYS NZ :NH3+ 179:sc= 1.29 (180deg=1.24) USER MOD Single : A 74 TYR OH : rot -80:sc= 0.147 USER MOD Single : A 75 GLN : amide:sc= 1.26 K(o=1.3,f=-0.89) USER MOD Single : A 77 ASN : amide:sc= 1.16 K(o=1.2,f=-1.6) USER MOD Single : A 78 ASN : amide:sc= 0.732 K(o=0.73,f=-6.9!) USER MOD Single : A 79 LYS NZ :NH3+ 150:sc= 1.28 (180deg=1.05) USER MOD Single : A 80 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 83 LYS NZ :NH3+ -168:sc= 1.24 (180deg=1.22) USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 SER OG : rot 78:sc= 1.68 USER MOD Single : A 89 CYS SG : rot -140:sc= 0.0602 USER MOD Single : A 94 GLN : amide:sc= -0.142 X(o=-0.14,f=-0.14) USER MOD Single : A 102 GLN : amide:sc= 0.73 K(o=0.73,f=-0.039) 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= 0.0371 USER MOD Single : A 115 HIS : no HD1:sc= 0.122 K(o=0.12,f=-2.4!) USER MOD Single : A 118 ASN : amide:sc= 1.08 K(o=1.1,f=0) USER MOD Single : A 122 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 116 N PRO A 8 6.019 -3.776 10.444 1.00 0.00 N ATOM 117 CA PRO A 8 5.209 -4.945 10.105 1.00 0.00 C ATOM 118 C PRO A 8 5.333 -6.080 11.131 1.00 0.00 C ATOM 119 O PRO A 8 6.289 -6.134 11.911 1.00 0.00 O ATOM 120 CB PRO A 8 5.713 -5.390 8.732 1.00 0.00 C ATOM 121 CG PRO A 8 6.085 -4.058 8.085 1.00 0.00 C ATOM 122 CD PRO A 8 6.698 -3.294 9.252 1.00 0.00 C ATOM 0 HA PRO A 8 4.149 -4.691 10.103 1.00 0.00 H new ATOM 0 HB2 PRO A 8 6.569 -6.060 8.809 1.00 0.00 H new ATOM 0 HB3 PRO A 8 4.945 -5.918 8.167 1.00 0.00 H new ATOM 0 HG2 PRO A 8 6.793 -4.187 7.266 1.00 0.00 H new ATOM 0 HG3 PRO A 8 5.214 -3.546 7.676 1.00 0.00 H new ATOM 0 HD2 PRO A 8 7.771 -3.472 9.315 1.00 0.00 H new ATOM 0 HD3 PRO A 8 6.560 -2.220 9.131 1.00 0.00 H new ATOM 130 N LYS A 9 4.398 -7.032 11.095 1.00 0.00 N ATOM 131 CA LYS A 9 4.319 -8.123 12.066 1.00 0.00 C ATOM 132 C LYS A 9 4.227 -9.462 11.336 1.00 0.00 C ATOM 133 O LYS A 9 3.625 -9.524 10.261 1.00 0.00 O ATOM 134 CB LYS A 9 3.082 -7.947 12.966 1.00 0.00 C ATOM 135 CG LYS A 9 3.182 -6.727 13.897 1.00 0.00 C ATOM 136 CD LYS A 9 1.926 -6.529 14.762 1.00 0.00 C ATOM 137 CE LYS A 9 1.693 -7.693 15.740 1.00 0.00 C ATOM 138 NZ LYS A 9 0.521 -7.457 16.620 1.00 0.00 N ATOM 0 H LYS A 9 3.668 -7.067 10.384 1.00 0.00 H new ATOM 0 HA LYS A 9 5.217 -8.105 12.684 1.00 0.00 H new ATOM 0 HB2 LYS A 9 2.196 -7.847 12.340 1.00 0.00 H new ATOM 0 HB3 LYS A 9 2.947 -8.846 13.568 1.00 0.00 H new ATOM 0 HG2 LYS A 9 4.050 -6.842 14.547 1.00 0.00 H new ATOM 0 HG3 LYS A 9 3.349 -5.832 13.298 1.00 0.00 H new ATOM 0 HD2 LYS A 9 2.019 -5.600 15.324 1.00 0.00 H new ATOM 0 HD3 LYS A 9 1.056 -6.424 14.114 1.00 0.00 H new ATOM 0 HE2 LYS A 9 1.543 -8.614 15.177 1.00 0.00 H new ATOM 0 HE3 LYS A 9 2.583 -7.835 16.353 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 0.401 -8.266 17.263 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 0.674 -6.592 17.177 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -0.334 -7.348 16.038 1.00 0.00 H new ATOM 152 N PRO A 10 4.791 -10.546 11.898 1.00 0.00 N ATOM 153 CA PRO A 10 4.548 -11.896 11.415 1.00 0.00 C ATOM 154 C PRO A 10 3.040 -12.128 11.220 1.00 0.00 C ATOM 155 O PRO A 10 2.225 -11.686 12.032 1.00 0.00 O ATOM 156 CB PRO A 10 5.173 -12.816 12.468 1.00 0.00 C ATOM 157 CG PRO A 10 6.307 -11.969 13.037 1.00 0.00 C ATOM 158 CD PRO A 10 5.706 -10.567 13.029 1.00 0.00 C ATOM 0 HA PRO A 10 4.991 -12.089 10.438 1.00 0.00 H new ATOM 0 HB2 PRO A 10 4.453 -13.096 13.237 1.00 0.00 H new ATOM 0 HB3 PRO A 10 5.543 -13.741 12.026 1.00 0.00 H new ATOM 0 HG2 PRO A 10 6.585 -12.286 14.042 1.00 0.00 H new ATOM 0 HG3 PRO A 10 7.206 -12.029 12.423 1.00 0.00 H new ATOM 0 HD2 PRO A 10 5.182 -10.359 13.962 1.00 0.00 H new ATOM 0 HD3 PRO A 10 6.481 -9.808 12.922 1.00 0.00 H new ATOM 166 N GLY A 11 2.674 -12.805 10.132 1.00 0.00 N ATOM 167 CA GLY A 11 1.298 -12.972 9.684 1.00 0.00 C ATOM 168 C GLY A 11 0.889 -11.921 8.647 1.00 0.00 C ATOM 169 O GLY A 11 -0.234 -11.970 8.145 1.00 0.00 O ATOM 0 H GLY A 11 3.350 -13.265 9.522 1.00 0.00 H new ATOM 0 HA2 GLY A 11 1.177 -13.967 9.256 1.00 0.00 H new ATOM 0 HA3 GLY A 11 0.629 -12.911 10.543 1.00 0.00 H new ATOM 173 N ASP A 12 1.760 -10.962 8.316 1.00 0.00 N ATOM 174 CA ASP A 12 1.497 -9.993 7.256 1.00 0.00 C ATOM 175 C ASP A 12 1.794 -10.624 5.898 1.00 0.00 C ATOM 176 O ASP A 12 2.797 -11.329 5.738 1.00 0.00 O ATOM 177 CB ASP A 12 2.333 -8.713 7.440 1.00 0.00 C ATOM 178 CG ASP A 12 1.769 -7.771 8.516 1.00 0.00 C ATOM 179 OD1 ASP A 12 0.567 -7.888 8.855 1.00 0.00 O ATOM 180 OD2 ASP A 12 2.501 -6.856 8.959 1.00 0.00 O ATOM 0 H ASP A 12 2.662 -10.839 8.775 1.00 0.00 H new ATOM 0 HA ASP A 12 0.445 -9.711 7.306 1.00 0.00 H new ATOM 0 HB2 ASP A 12 3.354 -8.988 7.706 1.00 0.00 H new ATOM 0 HB3 ASP A 12 2.384 -8.180 6.490 1.00 0.00 H new ATOM 185 N LEU A 13 0.933 -10.345 4.915 1.00 0.00 N ATOM 186 CA LEU A 13 1.173 -10.684 3.519 1.00 0.00 C ATOM 187 C LEU A 13 2.331 -9.833 3.007 1.00 0.00 C ATOM 188 O LEU A 13 2.321 -8.612 3.184 1.00 0.00 O ATOM 189 CB LEU A 13 -0.047 -10.389 2.621 1.00 0.00 C ATOM 190 CG LEU A 13 -1.364 -11.157 2.843 1.00 0.00 C ATOM 191 CD1 LEU A 13 -2.224 -11.081 1.578 1.00 0.00 C ATOM 192 CD2 LEU A 13 -1.102 -12.617 3.208 1.00 0.00 C ATOM 0 H LEU A 13 0.043 -9.873 5.073 1.00 0.00 H new ATOM 0 HA LEU A 13 1.386 -11.752 3.474 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -0.270 -9.326 2.715 1.00 0.00 H new ATOM 0 HB3 LEU A 13 0.260 -10.560 1.589 1.00 0.00 H new ATOM 0 HG LEU A 13 -1.893 -10.693 3.675 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -3.155 -11.625 1.738 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -2.447 -10.038 1.352 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -1.683 -11.525 0.743 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -2.052 -13.131 3.358 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -0.551 -13.101 2.401 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -0.516 -12.663 4.126 1.00 0.00 H new ATOM 204 N ILE A 14 3.256 -10.458 2.284 1.00 0.00 N ATOM 205 CA ILE A 14 4.324 -9.795 1.559 1.00 0.00 C ATOM 206 C ILE A 14 4.039 -10.042 0.085 1.00 0.00 C ATOM 207 O ILE A 14 3.876 -11.192 -0.334 1.00 0.00 O ATOM 208 CB ILE A 14 5.705 -10.375 1.955 1.00 0.00 C ATOM 209 CG1 ILE A 14 5.996 -10.298 3.471 1.00 0.00 C ATOM 210 CG2 ILE A 14 6.832 -9.710 1.139 1.00 0.00 C ATOM 211 CD1 ILE A 14 6.031 -8.881 4.056 1.00 0.00 C ATOM 0 H ILE A 14 3.279 -11.473 2.187 1.00 0.00 H new ATOM 0 HA ILE A 14 4.358 -8.730 1.788 1.00 0.00 H new ATOM 0 HB ILE A 14 5.671 -11.437 1.712 1.00 0.00 H new ATOM 0 HG12 ILE A 14 5.237 -10.874 4.000 1.00 0.00 H new ATOM 0 HG13 ILE A 14 6.955 -10.779 3.666 1.00 0.00 H new ATOM 0 HG21 ILE A 14 7.793 -10.133 1.434 1.00 0.00 H new ATOM 0 HG22 ILE A 14 6.667 -9.890 0.077 1.00 0.00 H new ATOM 0 HG23 ILE A 14 6.834 -8.637 1.329 1.00 0.00 H new ATOM 0 HD11 ILE A 14 6.242 -8.933 5.124 1.00 0.00 H new ATOM 0 HD12 ILE A 14 6.810 -8.302 3.560 1.00 0.00 H new ATOM 0 HD13 ILE A 14 5.066 -8.399 3.900 1.00 0.00 H new ATOM 223 N GLU A 15 3.994 -8.970 -0.699 1.00 0.00 N ATOM 224 CA GLU A 15 4.006 -9.074 -2.144 1.00 0.00 C ATOM 225 C GLU A 15 5.453 -8.848 -2.578 1.00 0.00 C ATOM 226 O GLU A 15 6.207 -8.102 -1.948 1.00 0.00 O ATOM 227 CB GLU A 15 3.017 -8.099 -2.799 1.00 0.00 C ATOM 228 CG GLU A 15 3.451 -6.626 -2.767 1.00 0.00 C ATOM 229 CD GLU A 15 2.450 -5.686 -3.464 1.00 0.00 C ATOM 230 OE1 GLU A 15 1.279 -6.056 -3.705 1.00 0.00 O ATOM 231 OE2 GLU A 15 2.851 -4.543 -3.774 1.00 0.00 O ATOM 0 H GLU A 15 3.949 -8.013 -0.349 1.00 0.00 H new ATOM 0 HA GLU A 15 3.667 -10.056 -2.473 1.00 0.00 H new ATOM 0 HB2 GLU A 15 2.868 -8.397 -3.837 1.00 0.00 H new ATOM 0 HB3 GLU A 15 2.053 -8.190 -2.299 1.00 0.00 H new ATOM 0 HG2 GLU A 15 3.574 -6.312 -1.730 1.00 0.00 H new ATOM 0 HG3 GLU A 15 4.425 -6.530 -3.247 1.00 0.00 H new ATOM 238 N ILE A 16 5.824 -9.496 -3.669 1.00 0.00 N ATOM 239 CA ILE A 16 7.157 -9.587 -4.224 1.00 0.00 C ATOM 240 C ILE A 16 7.002 -9.129 -5.669 1.00 0.00 C ATOM 241 O ILE A 16 6.206 -9.708 -6.411 1.00 0.00 O ATOM 242 CB ILE A 16 7.633 -11.058 -4.159 1.00 0.00 C ATOM 243 CG1 ILE A 16 7.567 -11.726 -2.764 1.00 0.00 C ATOM 244 CG2 ILE A 16 9.034 -11.186 -4.778 1.00 0.00 C ATOM 245 CD1 ILE A 16 8.579 -11.197 -1.751 1.00 0.00 C ATOM 0 H ILE A 16 5.146 -10.011 -4.231 1.00 0.00 H new ATOM 0 HA ILE A 16 7.891 -8.985 -3.688 1.00 0.00 H new ATOM 0 HB ILE A 16 6.909 -11.620 -4.748 1.00 0.00 H new ATOM 0 HG12 ILE A 16 6.564 -11.590 -2.359 1.00 0.00 H new ATOM 0 HG13 ILE A 16 7.720 -12.799 -2.883 1.00 0.00 H new ATOM 0 HG21 ILE A 16 9.361 -12.225 -4.728 1.00 0.00 H new ATOM 0 HG22 ILE A 16 9.002 -10.866 -5.819 1.00 0.00 H new ATOM 0 HG23 ILE A 16 9.734 -10.558 -4.227 1.00 0.00 H new ATOM 0 HD11 ILE A 16 8.457 -11.724 -0.805 1.00 0.00 H new ATOM 0 HD12 ILE A 16 9.589 -11.358 -2.128 1.00 0.00 H new ATOM 0 HD13 ILE A 16 8.415 -10.131 -1.596 1.00 0.00 H new ATOM 257 N PHE A 17 7.742 -8.106 -6.080 1.00 0.00 N ATOM 258 CA PHE A 17 7.839 -7.732 -7.486 1.00 0.00 C ATOM 259 C PHE A 17 8.742 -8.761 -8.165 1.00 0.00 C ATOM 260 O PHE A 17 9.937 -8.828 -7.865 1.00 0.00 O ATOM 261 CB PHE A 17 8.415 -6.314 -7.636 1.00 0.00 C ATOM 262 CG PHE A 17 7.474 -5.135 -7.412 1.00 0.00 C ATOM 263 CD1 PHE A 17 6.179 -5.282 -6.866 1.00 0.00 C ATOM 264 CD2 PHE A 17 7.907 -3.856 -7.811 1.00 0.00 C ATOM 265 CE1 PHE A 17 5.324 -4.169 -6.765 1.00 0.00 C ATOM 266 CE2 PHE A 17 7.062 -2.739 -7.679 1.00 0.00 C ATOM 267 CZ PHE A 17 5.767 -2.897 -7.161 1.00 0.00 C ATOM 0 H PHE A 17 8.288 -7.516 -5.453 1.00 0.00 H new ATOM 0 HA PHE A 17 6.853 -7.723 -7.950 1.00 0.00 H new ATOM 0 HB2 PHE A 17 9.247 -6.215 -6.939 1.00 0.00 H new ATOM 0 HB3 PHE A 17 8.829 -6.226 -8.640 1.00 0.00 H new ATOM 0 HD1 PHE A 17 5.845 -6.251 -6.525 1.00 0.00 H new ATOM 0 HD2 PHE A 17 8.898 -3.731 -8.222 1.00 0.00 H new ATOM 0 HE1 PHE A 17 4.322 -4.294 -6.381 1.00 0.00 H new ATOM 0 HE2 PHE A 17 7.409 -1.761 -7.976 1.00 0.00 H new ATOM 0 HZ PHE A 17 5.113 -2.042 -7.067 1.00 0.00 H new ATOM 277 N ARG A 18 8.181 -9.580 -9.057 1.00 0.00 N ATOM 278 CA ARG A 18 8.949 -10.462 -9.935 1.00 0.00 C ATOM 279 C ARG A 18 9.377 -9.651 -11.172 1.00 0.00 C ATOM 280 O ARG A 18 8.908 -8.521 -11.331 1.00 0.00 O ATOM 281 CB ARG A 18 8.059 -11.669 -10.265 1.00 0.00 C ATOM 282 CG ARG A 18 7.876 -12.601 -9.055 1.00 0.00 C ATOM 283 CD ARG A 18 8.984 -13.656 -9.001 1.00 0.00 C ATOM 284 NE ARG A 18 8.897 -14.500 -7.793 1.00 0.00 N ATOM 285 CZ ARG A 18 9.690 -14.444 -6.711 1.00 0.00 C ATOM 286 NH1 ARG A 18 10.744 -13.641 -6.648 1.00 0.00 N ATOM 287 NH2 ARG A 18 9.429 -15.197 -5.649 1.00 0.00 N ATOM 0 H ARG A 18 7.172 -9.649 -9.191 1.00 0.00 H new ATOM 0 HA ARG A 18 9.861 -10.841 -9.474 1.00 0.00 H new ATOM 0 HB2 ARG A 18 7.084 -11.318 -10.603 1.00 0.00 H new ATOM 0 HB3 ARG A 18 8.499 -12.229 -11.090 1.00 0.00 H new ATOM 0 HG2 ARG A 18 7.882 -12.015 -8.136 1.00 0.00 H new ATOM 0 HG3 ARG A 18 6.904 -13.092 -9.113 1.00 0.00 H new ATOM 0 HD2 ARG A 18 8.925 -14.287 -9.887 1.00 0.00 H new ATOM 0 HD3 ARG A 18 9.955 -13.161 -9.026 1.00 0.00 H new ATOM 0 HE ARG A 18 8.156 -15.200 -7.779 1.00 0.00 H new ATOM 0 HH11 ARG A 18 10.975 -13.039 -7.439 1.00 0.00 H new ATOM 0 HH12 ARG A 18 11.324 -13.625 -5.809 1.00 0.00 H new ATOM 0 HH21 ARG A 18 8.623 -15.822 -5.653 1.00 0.00 H new ATOM 0 HH22 ARG A 18 10.035 -15.151 -4.830 1.00 0.00 H new ATOM 301 N PRO A 19 10.247 -10.176 -12.060 1.00 0.00 N ATOM 302 CA PRO A 19 10.822 -9.394 -13.156 1.00 0.00 C ATOM 303 C PRO A 19 9.796 -8.689 -14.055 1.00 0.00 C ATOM 304 O PRO A 19 10.061 -7.579 -14.521 1.00 0.00 O ATOM 305 CB PRO A 19 11.696 -10.372 -13.949 1.00 0.00 C ATOM 306 CG PRO A 19 12.108 -11.396 -12.895 1.00 0.00 C ATOM 307 CD PRO A 19 10.852 -11.501 -12.034 1.00 0.00 C ATOM 0 HA PRO A 19 11.394 -8.563 -12.743 1.00 0.00 H new ATOM 0 HB2 PRO A 19 11.144 -10.835 -14.767 1.00 0.00 H new ATOM 0 HB3 PRO A 19 12.561 -9.875 -14.389 1.00 0.00 H new ATOM 0 HG2 PRO A 19 12.376 -12.354 -13.341 1.00 0.00 H new ATOM 0 HG3 PRO A 19 12.970 -11.061 -12.318 1.00 0.00 H new ATOM 0 HD2 PRO A 19 10.168 -12.252 -12.429 1.00 0.00 H new ATOM 0 HD3 PRO A 19 11.099 -11.799 -11.015 1.00 0.00 H new ATOM 315 N PHE A 20 8.627 -9.308 -14.272 1.00 0.00 N ATOM 316 CA PHE A 20 7.558 -8.785 -15.130 1.00 0.00 C ATOM 317 C PHE A 20 6.160 -9.050 -14.536 1.00 0.00 C ATOM 318 O PHE A 20 5.159 -8.942 -15.248 1.00 0.00 O ATOM 319 CB PHE A 20 7.683 -9.407 -16.537 1.00 0.00 C ATOM 320 CG PHE A 20 9.024 -9.206 -17.223 1.00 0.00 C ATOM 321 CD1 PHE A 20 9.352 -7.955 -17.781 1.00 0.00 C ATOM 322 CD2 PHE A 20 9.949 -10.267 -17.303 1.00 0.00 C ATOM 323 CE1 PHE A 20 10.597 -7.764 -18.406 1.00 0.00 C ATOM 324 CE2 PHE A 20 11.194 -10.074 -17.927 1.00 0.00 C ATOM 325 CZ PHE A 20 11.520 -8.822 -18.478 1.00 0.00 C ATOM 0 H PHE A 20 8.395 -10.205 -13.846 1.00 0.00 H new ATOM 0 HA PHE A 20 7.671 -7.703 -15.198 1.00 0.00 H new ATOM 0 HB2 PHE A 20 7.490 -10.477 -16.461 1.00 0.00 H new ATOM 0 HB3 PHE A 20 6.903 -8.987 -17.172 1.00 0.00 H new ATOM 0 HD1 PHE A 20 8.645 -7.140 -17.729 1.00 0.00 H new ATOM 0 HD2 PHE A 20 9.700 -11.231 -16.884 1.00 0.00 H new ATOM 0 HE1 PHE A 20 10.845 -6.803 -18.832 1.00 0.00 H new ATOM 0 HE2 PHE A 20 11.901 -10.888 -17.983 1.00 0.00 H new ATOM 0 HZ PHE A 20 12.477 -8.674 -18.955 1.00 0.00 H new ATOM 335 N TYR A 21 6.074 -9.447 -13.261 1.00 0.00 N ATOM 336 CA TYR A 21 4.845 -9.908 -12.611 1.00 0.00 C ATOM 337 C TYR A 21 4.983 -9.742 -11.089 1.00 0.00 C ATOM 338 O TYR A 21 5.803 -8.943 -10.631 1.00 0.00 O ATOM 339 CB TYR A 21 4.510 -11.346 -13.067 1.00 0.00 C ATOM 340 CG TYR A 21 5.524 -12.439 -12.756 1.00 0.00 C ATOM 341 CD1 TYR A 21 6.627 -12.654 -13.604 1.00 0.00 C ATOM 342 CD2 TYR A 21 5.318 -13.299 -11.662 1.00 0.00 C ATOM 343 CE1 TYR A 21 7.508 -13.727 -13.371 1.00 0.00 C ATOM 344 CE2 TYR A 21 6.182 -14.379 -11.423 1.00 0.00 C ATOM 345 CZ TYR A 21 7.283 -14.603 -12.282 1.00 0.00 C ATOM 346 OH TYR A 21 8.117 -15.654 -12.047 1.00 0.00 O ATOM 0 H TYR A 21 6.881 -9.456 -12.637 1.00 0.00 H new ATOM 0 HA TYR A 21 3.992 -9.300 -12.912 1.00 0.00 H new ATOM 0 HB2 TYR A 21 3.561 -11.630 -12.613 1.00 0.00 H new ATOM 0 HB3 TYR A 21 4.355 -11.329 -14.146 1.00 0.00 H new ATOM 0 HD1 TYR A 21 6.798 -11.991 -14.439 1.00 0.00 H new ATOM 0 HD2 TYR A 21 4.484 -13.126 -10.998 1.00 0.00 H new ATOM 0 HE1 TYR A 21 8.355 -13.882 -14.023 1.00 0.00 H new ATOM 0 HE2 TYR A 21 6.006 -15.037 -10.585 1.00 0.00 H new ATOM 0 HH TYR A 21 7.809 -16.146 -11.257 1.00 0.00 H new ATOM 356 N ARG A 22 4.212 -10.481 -10.281 1.00 0.00 N ATOM 357 CA ARG A 22 4.280 -10.422 -8.822 1.00 0.00 C ATOM 358 C ARG A 22 4.092 -11.816 -8.240 1.00 0.00 C ATOM 359 O ARG A 22 3.474 -12.673 -8.866 1.00 0.00 O ATOM 360 CB ARG A 22 3.313 -9.363 -8.236 1.00 0.00 C ATOM 361 CG ARG A 22 1.819 -9.425 -8.615 1.00 0.00 C ATOM 362 CD ARG A 22 1.070 -10.585 -7.941 1.00 0.00 C ATOM 363 NE ARG A 22 -0.401 -10.483 -8.033 1.00 0.00 N ATOM 364 CZ ARG A 22 -1.182 -10.674 -9.102 1.00 0.00 C ATOM 365 NH1 ARG A 22 -0.681 -10.771 -10.331 1.00 0.00 N ATOM 366 NH2 ARG A 22 -2.486 -10.776 -8.894 1.00 0.00 N ATOM 0 H ARG A 22 3.518 -11.142 -10.629 1.00 0.00 H new ATOM 0 HA ARG A 22 5.272 -10.082 -8.525 1.00 0.00 H new ATOM 0 HB2 ARG A 22 3.380 -9.422 -7.150 1.00 0.00 H new ATOM 0 HB3 ARG A 22 3.686 -8.381 -8.526 1.00 0.00 H new ATOM 0 HG2 ARG A 22 1.342 -8.484 -8.340 1.00 0.00 H new ATOM 0 HG3 ARG A 22 1.729 -9.523 -9.697 1.00 0.00 H new ATOM 0 HD2 ARG A 22 1.388 -11.523 -8.396 1.00 0.00 H new ATOM 0 HD3 ARG A 22 1.356 -10.627 -6.890 1.00 0.00 H new ATOM 0 HE ARG A 22 -0.884 -10.235 -7.169 1.00 0.00 H new ATOM 0 HH11 ARG A 22 0.326 -10.700 -10.478 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -1.304 -10.917 -11.126 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -2.858 -10.708 -7.947 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -3.118 -10.922 -9.681 1.00 0.00 H new ATOM 380 N HIS A 23 4.613 -12.033 -7.042 1.00 0.00 N ATOM 381 CA HIS A 23 4.558 -13.286 -6.297 1.00 0.00 C ATOM 382 C HIS A 23 4.201 -12.921 -4.856 1.00 0.00 C ATOM 383 O HIS A 23 4.234 -11.741 -4.495 1.00 0.00 O ATOM 384 CB HIS A 23 5.912 -13.998 -6.428 1.00 0.00 C ATOM 385 CG HIS A 23 6.051 -15.329 -5.735 1.00 0.00 C ATOM 386 ND1 HIS A 23 5.869 -16.561 -6.360 1.00 0.00 N ATOM 387 CD2 HIS A 23 6.520 -15.541 -4.469 1.00 0.00 C ATOM 388 CE1 HIS A 23 6.209 -17.489 -5.449 1.00 0.00 C ATOM 389 NE2 HIS A 23 6.607 -16.905 -4.308 1.00 0.00 N ATOM 0 H HIS A 23 5.112 -11.302 -6.535 1.00 0.00 H new ATOM 0 HA HIS A 23 3.807 -13.980 -6.676 1.00 0.00 H new ATOM 0 HB2 HIS A 23 6.117 -14.144 -7.488 1.00 0.00 H new ATOM 0 HB3 HIS A 23 6.684 -13.332 -6.043 1.00 0.00 H new ATOM 0 HD2 HIS A 23 6.773 -14.787 -3.739 1.00 0.00 H new ATOM 0 HE1 HIS A 23 6.168 -18.556 -5.612 1.00 0.00 H new ATOM 0 HE2 HIS A 23 6.920 -17.389 -3.466 1.00 0.00 H new ATOM 397 N TRP A 24 3.862 -13.906 -4.028 1.00 0.00 N ATOM 398 CA TRP A 24 3.382 -13.666 -2.677 1.00 0.00 C ATOM 399 C TRP A 24 4.030 -14.626 -1.697 1.00 0.00 C ATOM 400 O TRP A 24 4.293 -15.785 -2.023 1.00 0.00 O ATOM 401 CB TRP A 24 1.863 -13.817 -2.635 1.00 0.00 C ATOM 402 CG TRP A 24 1.108 -12.738 -3.331 1.00 0.00 C ATOM 403 CD1 TRP A 24 0.710 -12.719 -4.621 1.00 0.00 C ATOM 404 CD2 TRP A 24 0.614 -11.505 -2.744 1.00 0.00 C ATOM 405 NE1 TRP A 24 -0.021 -11.572 -4.853 1.00 0.00 N ATOM 406 CE2 TRP A 24 -0.110 -10.782 -3.731 1.00 0.00 C ATOM 407 CE3 TRP A 24 0.683 -10.955 -1.454 1.00 0.00 C ATOM 408 CZ2 TRP A 24 -0.766 -9.577 -3.445 1.00 0.00 C ATOM 409 CZ3 TRP A 24 0.041 -9.739 -1.154 1.00 0.00 C ATOM 410 CH2 TRP A 24 -0.692 -9.058 -2.142 1.00 0.00 C ATOM 0 H TRP A 24 3.914 -14.893 -4.279 1.00 0.00 H new ATOM 0 HA TRP A 24 3.651 -12.650 -2.387 1.00 0.00 H new ATOM 0 HB2 TRP A 24 1.595 -14.775 -3.081 1.00 0.00 H new ATOM 0 HB3 TRP A 24 1.544 -13.850 -1.593 1.00 0.00 H new ATOM 0 HD1 TRP A 24 0.929 -13.481 -5.355 1.00 0.00 H new ATOM 0 HE1 TRP A 24 -0.445 -11.338 -5.751 1.00 0.00 H new ATOM 0 HE3 TRP A 24 1.235 -11.471 -0.683 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 -1.319 -9.057 -4.213 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 0.112 -9.326 -0.158 1.00 0.00 H new ATOM 0 HH2 TRP A 24 -1.198 -8.136 -1.899 1.00 0.00 H new ATOM 421 N ALA A 25 4.233 -14.130 -0.481 1.00 0.00 N ATOM 422 CA ALA A 25 4.775 -14.846 0.656 1.00 0.00 C ATOM 423 C ALA A 25 4.119 -14.271 1.918 1.00 0.00 C ATOM 424 O ALA A 25 3.378 -13.287 1.840 1.00 0.00 O ATOM 425 CB ALA A 25 6.297 -14.652 0.661 1.00 0.00 C ATOM 0 H ALA A 25 4.009 -13.161 -0.255 1.00 0.00 H new ATOM 0 HA ALA A 25 4.571 -15.916 0.612 1.00 0.00 H new ATOM 0 HB1 ALA A 25 6.729 -15.183 1.510 1.00 0.00 H new ATOM 0 HB2 ALA A 25 6.717 -15.045 -0.265 1.00 0.00 H new ATOM 0 HB3 ALA A 25 6.528 -13.590 0.742 1.00 0.00 H new ATOM 431 N ILE A 26 4.386 -14.852 3.085 1.00 0.00 N ATOM 432 CA ILE A 26 3.825 -14.383 4.346 1.00 0.00 C ATOM 433 C ILE A 26 4.943 -14.326 5.382 1.00 0.00 C ATOM 434 O ILE A 26 5.738 -15.259 5.480 1.00 0.00 O ATOM 435 CB ILE A 26 2.633 -15.295 4.715 1.00 0.00 C ATOM 436 CG1 ILE A 26 1.570 -14.506 5.495 1.00 0.00 C ATOM 437 CG2 ILE A 26 3.054 -16.578 5.446 1.00 0.00 C ATOM 438 CD1 ILE A 26 0.249 -15.270 5.523 1.00 0.00 C ATOM 0 H ILE A 26 4.998 -15.662 3.181 1.00 0.00 H new ATOM 0 HA ILE A 26 3.424 -13.371 4.285 1.00 0.00 H new ATOM 0 HB ILE A 26 2.188 -15.632 3.779 1.00 0.00 H new ATOM 0 HG12 ILE A 26 1.915 -14.328 6.513 1.00 0.00 H new ATOM 0 HG13 ILE A 26 1.422 -13.530 5.034 1.00 0.00 H new ATOM 0 HG21 ILE A 26 2.170 -17.173 5.676 1.00 0.00 H new ATOM 0 HG22 ILE A 26 3.725 -17.156 4.810 1.00 0.00 H new ATOM 0 HG23 ILE A 26 3.567 -16.318 6.372 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -0.492 -14.696 6.080 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -0.103 -15.425 4.503 1.00 0.00 H new ATOM 0 HD13 ILE A 26 0.397 -16.236 6.006 1.00 0.00 H new ATOM 450 N TYR A 27 5.034 -13.219 6.115 1.00 0.00 N ATOM 451 CA TYR A 27 6.050 -12.962 7.125 1.00 0.00 C ATOM 452 C TYR A 27 5.877 -13.964 8.267 1.00 0.00 C ATOM 453 O TYR A 27 4.775 -14.086 8.803 1.00 0.00 O ATOM 454 CB TYR A 27 5.864 -11.499 7.575 1.00 0.00 C ATOM 455 CG TYR A 27 6.899 -10.854 8.486 1.00 0.00 C ATOM 456 CD1 TYR A 27 8.134 -11.461 8.799 1.00 0.00 C ATOM 457 CD2 TYR A 27 6.618 -9.567 8.985 1.00 0.00 C ATOM 458 CE1 TYR A 27 9.057 -10.794 9.622 1.00 0.00 C ATOM 459 CE2 TYR A 27 7.544 -8.892 9.798 1.00 0.00 C ATOM 460 CZ TYR A 27 8.773 -9.505 10.122 1.00 0.00 C ATOM 461 OH TYR A 27 9.694 -8.862 10.892 1.00 0.00 O ATOM 0 H TYR A 27 4.374 -12.448 6.015 1.00 0.00 H new ATOM 0 HA TYR A 27 7.065 -13.089 6.749 1.00 0.00 H new ATOM 0 HB2 TYR A 27 5.796 -10.888 6.675 1.00 0.00 H new ATOM 0 HB3 TYR A 27 4.900 -11.433 8.079 1.00 0.00 H new ATOM 0 HD1 TYR A 27 8.370 -12.439 8.406 1.00 0.00 H new ATOM 0 HD2 TYR A 27 5.679 -9.093 8.740 1.00 0.00 H new ATOM 0 HE1 TYR A 27 9.992 -11.272 9.874 1.00 0.00 H new ATOM 0 HE2 TYR A 27 7.316 -7.906 10.174 1.00 0.00 H new ATOM 0 HH TYR A 27 9.345 -7.985 11.155 1.00 0.00 H new ATOM 471 N VAL A 28 6.946 -14.650 8.669 1.00 0.00 N ATOM 472 CA VAL A 28 6.972 -15.507 9.856 1.00 0.00 C ATOM 473 C VAL A 28 8.279 -15.262 10.633 1.00 0.00 C ATOM 474 O VAL A 28 9.208 -14.633 10.116 1.00 0.00 O ATOM 475 CB VAL A 28 6.767 -17.000 9.488 1.00 0.00 C ATOM 476 CG1 VAL A 28 5.454 -17.260 8.731 1.00 0.00 C ATOM 477 CG2 VAL A 28 7.925 -17.593 8.673 1.00 0.00 C ATOM 0 H VAL A 28 7.835 -14.626 8.170 1.00 0.00 H new ATOM 0 HA VAL A 28 6.137 -15.246 10.506 1.00 0.00 H new ATOM 0 HB VAL A 28 6.727 -17.501 10.455 1.00 0.00 H new ATOM 0 HG11 VAL A 28 5.370 -18.322 8.503 1.00 0.00 H new ATOM 0 HG12 VAL A 28 4.610 -16.954 9.350 1.00 0.00 H new ATOM 0 HG13 VAL A 28 5.450 -16.688 7.803 1.00 0.00 H new ATOM 0 HG21 VAL A 28 7.715 -18.639 8.451 1.00 0.00 H new ATOM 0 HG22 VAL A 28 8.035 -17.039 7.741 1.00 0.00 H new ATOM 0 HG23 VAL A 28 8.848 -17.522 9.248 1.00 0.00 H new ATOM 487 N GLY A 29 8.374 -15.792 11.857 1.00 0.00 N ATOM 488 CA GLY A 29 9.574 -15.699 12.681 1.00 0.00 C ATOM 489 C GLY A 29 9.977 -14.239 12.876 1.00 0.00 C ATOM 490 O GLY A 29 9.210 -13.461 13.447 1.00 0.00 O ATOM 0 H GLY A 29 7.611 -16.301 12.303 1.00 0.00 H new ATOM 0 HA2 GLY A 29 9.394 -16.165 13.650 1.00 0.00 H new ATOM 0 HA3 GLY A 29 10.389 -16.248 12.210 1.00 0.00 H new ATOM 494 N ASP A 30 11.163 -13.867 12.388 1.00 0.00 N ATOM 495 CA ASP A 30 11.692 -12.501 12.456 1.00 0.00 C ATOM 496 C ASP A 30 12.445 -12.143 11.158 1.00 0.00 C ATOM 497 O ASP A 30 13.352 -11.310 11.158 1.00 0.00 O ATOM 498 CB ASP A 30 12.575 -12.374 13.711 1.00 0.00 C ATOM 499 CG ASP A 30 13.032 -10.929 13.988 1.00 0.00 C ATOM 500 OD1 ASP A 30 12.181 -10.013 14.037 1.00 0.00 O ATOM 501 OD2 ASP A 30 14.241 -10.710 14.234 1.00 0.00 O ATOM 0 H ASP A 30 11.796 -14.520 11.925 1.00 0.00 H new ATOM 0 HA ASP A 30 10.876 -11.783 12.541 1.00 0.00 H new ATOM 0 HB2 ASP A 30 12.023 -12.746 14.575 1.00 0.00 H new ATOM 0 HB3 ASP A 30 13.453 -13.010 13.596 1.00 0.00 H new ATOM 506 N GLY A 31 12.102 -12.796 10.037 1.00 0.00 N ATOM 507 CA GLY A 31 12.699 -12.506 8.729 1.00 0.00 C ATOM 508 C GLY A 31 12.486 -13.610 7.694 1.00 0.00 C ATOM 509 O GLY A 31 12.648 -13.375 6.495 1.00 0.00 O ATOM 0 H GLY A 31 11.403 -13.539 10.014 1.00 0.00 H new ATOM 0 HA2 GLY A 31 12.278 -11.576 8.346 1.00 0.00 H new ATOM 0 HA3 GLY A 31 13.769 -12.343 8.857 1.00 0.00 H new ATOM 513 N TYR A 32 12.127 -14.817 8.131 1.00 0.00 N ATOM 514 CA TYR A 32 11.691 -15.867 7.225 1.00 0.00 C ATOM 515 C TYR A 32 10.313 -15.521 6.659 1.00 0.00 C ATOM 516 O TYR A 32 9.569 -14.702 7.207 1.00 0.00 O ATOM 517 CB TYR A 32 11.677 -17.220 7.951 1.00 0.00 C ATOM 518 CG TYR A 32 13.061 -17.783 8.215 1.00 0.00 C ATOM 519 CD1 TYR A 32 13.700 -18.557 7.228 1.00 0.00 C ATOM 520 CD2 TYR A 32 13.717 -17.526 9.435 1.00 0.00 C ATOM 521 CE1 TYR A 32 14.991 -19.069 7.449 1.00 0.00 C ATOM 522 CE2 TYR A 32 15.008 -18.033 9.664 1.00 0.00 C ATOM 523 CZ TYR A 32 15.653 -18.806 8.671 1.00 0.00 C ATOM 524 OH TYR A 32 16.906 -19.291 8.904 1.00 0.00 O ATOM 0 H TYR A 32 12.132 -15.088 9.114 1.00 0.00 H new ATOM 0 HA TYR A 32 12.391 -15.944 6.393 1.00 0.00 H new ATOM 0 HB2 TYR A 32 11.153 -17.108 8.900 1.00 0.00 H new ATOM 0 HB3 TYR A 32 11.110 -17.936 7.356 1.00 0.00 H new ATOM 0 HD1 TYR A 32 13.195 -18.759 6.295 1.00 0.00 H new ATOM 0 HD2 TYR A 32 13.227 -16.938 10.197 1.00 0.00 H new ATOM 0 HE1 TYR A 32 15.476 -19.662 6.687 1.00 0.00 H new ATOM 0 HE2 TYR A 32 15.508 -17.832 10.600 1.00 0.00 H new ATOM 0 HH TYR A 32 17.205 -19.011 9.794 1.00 0.00 H new ATOM 534 N VAL A 33 9.947 -16.203 5.583 1.00 0.00 N ATOM 535 CA VAL A 33 8.610 -16.188 5.033 1.00 0.00 C ATOM 536 C VAL A 33 8.215 -17.616 4.683 1.00 0.00 C ATOM 537 O VAL A 33 9.078 -18.449 4.404 1.00 0.00 O ATOM 538 CB VAL A 33 8.503 -15.275 3.793 1.00 0.00 C ATOM 539 CG1 VAL A 33 8.603 -13.788 4.135 1.00 0.00 C ATOM 540 CG2 VAL A 33 9.527 -15.609 2.698 1.00 0.00 C ATOM 0 H VAL A 33 10.592 -16.795 5.059 1.00 0.00 H new ATOM 0 HA VAL A 33 7.929 -15.780 5.779 1.00 0.00 H new ATOM 0 HB VAL A 33 7.506 -15.478 3.402 1.00 0.00 H new ATOM 0 HG11 VAL A 33 8.521 -13.198 3.222 1.00 0.00 H new ATOM 0 HG12 VAL A 33 7.797 -13.516 4.816 1.00 0.00 H new ATOM 0 HG13 VAL A 33 9.563 -13.588 4.611 1.00 0.00 H new ATOM 0 HG21 VAL A 33 9.395 -14.929 1.857 1.00 0.00 H new ATOM 0 HG22 VAL A 33 10.535 -15.500 3.097 1.00 0.00 H new ATOM 0 HG23 VAL A 33 9.379 -16.635 2.362 1.00 0.00 H new ATOM 550 N VAL A 34 6.913 -17.882 4.666 1.00 0.00 N ATOM 551 CA VAL A 34 6.350 -19.103 4.110 1.00 0.00 C ATOM 552 C VAL A 34 5.752 -18.691 2.768 1.00 0.00 C ATOM 553 O VAL A 34 5.149 -17.618 2.662 1.00 0.00 O ATOM 554 CB VAL A 34 5.338 -19.727 5.091 1.00 0.00 C ATOM 555 CG1 VAL A 34 4.518 -20.856 4.455 1.00 0.00 C ATOM 556 CG2 VAL A 34 6.077 -20.248 6.328 1.00 0.00 C ATOM 0 H VAL A 34 6.211 -17.245 5.044 1.00 0.00 H new ATOM 0 HA VAL A 34 7.089 -19.889 3.955 1.00 0.00 H new ATOM 0 HB VAL A 34 4.634 -18.945 5.375 1.00 0.00 H new ATOM 0 HG11 VAL A 34 3.822 -21.259 5.191 1.00 0.00 H new ATOM 0 HG12 VAL A 34 3.961 -20.466 3.603 1.00 0.00 H new ATOM 0 HG13 VAL A 34 5.188 -21.647 4.118 1.00 0.00 H new ATOM 0 HG21 VAL A 34 5.360 -20.689 7.021 1.00 0.00 H new ATOM 0 HG22 VAL A 34 6.803 -21.003 6.027 1.00 0.00 H new ATOM 0 HG23 VAL A 34 6.594 -19.423 6.817 1.00 0.00 H new ATOM 566 N HIS A 35 5.950 -19.502 1.730 1.00 0.00 N ATOM 567 CA HIS A 35 5.476 -19.182 0.388 1.00 0.00 C ATOM 568 C HIS A 35 5.284 -20.442 -0.453 1.00 0.00 C ATOM 569 O HIS A 35 5.690 -21.539 -0.059 1.00 0.00 O ATOM 570 CB HIS A 35 6.431 -18.184 -0.291 1.00 0.00 C ATOM 571 CG HIS A 35 7.672 -18.769 -0.920 1.00 0.00 C ATOM 572 ND1 HIS A 35 8.115 -18.463 -2.209 1.00 0.00 N ATOM 573 CD2 HIS A 35 8.558 -19.628 -0.333 1.00 0.00 C ATOM 574 CE1 HIS A 35 9.257 -19.154 -2.371 1.00 0.00 C ATOM 575 NE2 HIS A 35 9.546 -19.855 -1.263 1.00 0.00 N ATOM 0 H HIS A 35 6.441 -20.394 1.796 1.00 0.00 H new ATOM 0 HA HIS A 35 4.498 -18.709 0.474 1.00 0.00 H new ATOM 0 HB2 HIS A 35 5.876 -17.650 -1.062 1.00 0.00 H new ATOM 0 HB3 HIS A 35 6.738 -17.446 0.450 1.00 0.00 H new ATOM 0 HD2 HIS A 35 8.495 -20.045 0.661 1.00 0.00 H new ATOM 0 HE1 HIS A 35 9.858 -19.146 -3.268 1.00 0.00 H new ATOM 0 HE2 HIS A 35 10.361 -20.455 -1.133 1.00 0.00 H new ATOM 583 N LEU A 36 4.640 -20.273 -1.606 1.00 0.00 N ATOM 584 CA LEU A 36 4.337 -21.332 -2.560 1.00 0.00 C ATOM 585 C LEU A 36 5.518 -21.425 -3.534 1.00 0.00 C ATOM 586 O LEU A 36 5.976 -20.390 -4.023 1.00 0.00 O ATOM 587 CB LEU A 36 3.022 -20.937 -3.269 1.00 0.00 C ATOM 588 CG LEU A 36 2.103 -22.090 -3.697 1.00 0.00 C ATOM 589 CD1 LEU A 36 2.702 -22.947 -4.806 1.00 0.00 C ATOM 590 CD2 LEU A 36 1.661 -22.947 -2.507 1.00 0.00 C ATOM 0 H LEU A 36 4.303 -19.360 -1.911 1.00 0.00 H new ATOM 0 HA LEU A 36 4.202 -22.308 -2.095 1.00 0.00 H new ATOM 0 HB2 LEU A 36 2.460 -20.281 -2.605 1.00 0.00 H new ATOM 0 HB3 LEU A 36 3.274 -20.354 -4.155 1.00 0.00 H new ATOM 0 HG LEU A 36 1.212 -21.620 -4.113 1.00 0.00 H new ATOM 0 HD11 LEU A 36 2.006 -23.745 -5.065 1.00 0.00 H new ATOM 0 HD12 LEU A 36 2.888 -22.328 -5.684 1.00 0.00 H new ATOM 0 HD13 LEU A 36 3.641 -23.382 -4.463 1.00 0.00 H new ATOM 0 HD21 LEU A 36 1.013 -23.750 -2.858 1.00 0.00 H new ATOM 0 HD22 LEU A 36 2.538 -23.375 -2.021 1.00 0.00 H new ATOM 0 HD23 LEU A 36 1.117 -22.327 -1.794 1.00 0.00 H new ATOM 602 N ALA A 37 6.023 -22.627 -3.820 1.00 0.00 N ATOM 603 CA ALA A 37 7.248 -22.844 -4.589 1.00 0.00 C ATOM 604 C ALA A 37 7.130 -24.092 -5.482 1.00 0.00 C ATOM 605 O ALA A 37 6.346 -24.987 -5.161 1.00 0.00 O ATOM 606 CB ALA A 37 8.415 -23.014 -3.610 1.00 0.00 C ATOM 0 H ALA A 37 5.581 -23.495 -3.516 1.00 0.00 H new ATOM 0 HA ALA A 37 7.418 -21.985 -5.238 1.00 0.00 H new ATOM 0 HB1 ALA A 37 9.337 -23.177 -4.168 1.00 0.00 H new ATOM 0 HB2 ALA A 37 8.513 -22.115 -3.001 1.00 0.00 H new ATOM 0 HB3 ALA A 37 8.226 -23.871 -2.964 1.00 0.00 H new ATOM 612 N PRO A 38 7.870 -24.173 -6.607 1.00 0.00 N ATOM 613 CA PRO A 38 7.899 -25.357 -7.467 1.00 0.00 C ATOM 614 C PRO A 38 8.326 -26.632 -6.718 1.00 0.00 C ATOM 615 O PRO A 38 9.120 -26.539 -5.778 1.00 0.00 O ATOM 616 CB PRO A 38 8.900 -25.034 -8.581 1.00 0.00 C ATOM 617 CG PRO A 38 8.903 -23.510 -8.643 1.00 0.00 C ATOM 618 CD PRO A 38 8.678 -23.108 -7.188 1.00 0.00 C ATOM 0 HA PRO A 38 6.900 -25.567 -7.848 1.00 0.00 H new ATOM 0 HB2 PRO A 38 9.891 -25.426 -8.353 1.00 0.00 H new ATOM 0 HB3 PRO A 38 8.595 -25.472 -9.531 1.00 0.00 H new ATOM 0 HG2 PRO A 38 9.847 -23.123 -9.027 1.00 0.00 H new ATOM 0 HG3 PRO A 38 8.115 -23.131 -9.293 1.00 0.00 H new ATOM 0 HD2 PRO A 38 9.626 -23.002 -6.660 1.00 0.00 H new ATOM 0 HD3 PRO A 38 8.167 -22.148 -7.121 1.00 0.00 H new ATOM 626 N PRO A 39 7.893 -27.835 -7.151 1.00 0.00 N ATOM 627 CA PRO A 39 8.268 -29.093 -6.506 1.00 0.00 C ATOM 628 C PRO A 39 9.786 -29.298 -6.433 1.00 0.00 C ATOM 629 O PRO A 39 10.304 -29.756 -5.413 1.00 0.00 O ATOM 630 CB PRO A 39 7.608 -30.208 -7.328 1.00 0.00 C ATOM 631 CG PRO A 39 6.472 -29.501 -8.059 1.00 0.00 C ATOM 632 CD PRO A 39 7.032 -28.100 -8.297 1.00 0.00 C ATOM 0 HA PRO A 39 7.930 -29.093 -5.470 1.00 0.00 H new ATOM 0 HB2 PRO A 39 8.312 -30.660 -8.026 1.00 0.00 H new ATOM 0 HB3 PRO A 39 7.235 -31.008 -6.689 1.00 0.00 H new ATOM 0 HG2 PRO A 39 6.223 -30.000 -8.996 1.00 0.00 H new ATOM 0 HG3 PRO A 39 5.562 -29.475 -7.460 1.00 0.00 H new ATOM 0 HD2 PRO A 39 7.593 -28.053 -9.231 1.00 0.00 H new ATOM 0 HD3 PRO A 39 6.232 -27.363 -8.368 1.00 0.00 H new ATOM 846 N LYS A 57 1.692 -29.009 -10.608 1.00 0.00 N ATOM 847 CA LYS A 57 1.598 -29.093 -9.166 1.00 0.00 C ATOM 848 C LYS A 57 2.766 -28.311 -8.571 1.00 0.00 C ATOM 849 O LYS A 57 3.766 -28.074 -9.254 1.00 0.00 O ATOM 850 CB LYS A 57 1.606 -30.573 -8.763 1.00 0.00 C ATOM 851 CG LYS A 57 2.947 -31.294 -8.987 1.00 0.00 C ATOM 852 CD LYS A 57 2.942 -32.740 -8.479 1.00 0.00 C ATOM 853 CE LYS A 57 2.983 -32.791 -6.942 1.00 0.00 C ATOM 854 NZ LYS A 57 3.093 -34.177 -6.428 1.00 0.00 N ATOM 0 HA LYS A 57 0.674 -28.657 -8.786 1.00 0.00 H new ATOM 0 HB2 LYS A 57 1.340 -30.650 -7.709 1.00 0.00 H new ATOM 0 HB3 LYS A 57 0.831 -31.093 -9.326 1.00 0.00 H new ATOM 0 HG2 LYS A 57 3.182 -31.290 -10.051 1.00 0.00 H new ATOM 0 HG3 LYS A 57 3.739 -30.740 -8.483 1.00 0.00 H new ATOM 0 HD2 LYS A 57 2.049 -33.251 -8.839 1.00 0.00 H new ATOM 0 HD3 LYS A 57 3.801 -33.274 -8.886 1.00 0.00 H new ATOM 0 HE2 LYS A 57 3.829 -32.205 -6.584 1.00 0.00 H new ATOM 0 HE3 LYS A 57 2.082 -32.328 -6.541 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 3.117 -34.161 -5.388 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 2.273 -34.732 -6.747 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 3.966 -34.612 -6.788 1.00 0.00 H new ATOM 868 N ALA A 58 2.656 -27.948 -7.303 1.00 0.00 N ATOM 869 CA ALA A 58 3.634 -27.157 -6.567 1.00 0.00 C ATOM 870 C ALA A 58 3.631 -27.571 -5.097 1.00 0.00 C ATOM 871 O ALA A 58 3.029 -28.584 -4.746 1.00 0.00 O ATOM 872 CB ALA A 58 3.307 -25.679 -6.776 1.00 0.00 C ATOM 0 H ALA A 58 1.850 -28.206 -6.734 1.00 0.00 H new ATOM 0 HA ALA A 58 4.646 -27.332 -6.933 1.00 0.00 H new ATOM 0 HB1 ALA A 58 4.027 -25.067 -6.233 1.00 0.00 H new ATOM 0 HB2 ALA A 58 3.357 -25.442 -7.839 1.00 0.00 H new ATOM 0 HB3 ALA A 58 2.303 -25.473 -6.405 1.00 0.00 H new ATOM 878 N ILE A 59 4.322 -26.840 -4.225 1.00 0.00 N ATOM 879 CA ILE A 59 4.490 -27.196 -2.819 1.00 0.00 C ATOM 880 C ILE A 59 4.629 -25.917 -1.985 1.00 0.00 C ATOM 881 O ILE A 59 4.748 -24.825 -2.540 1.00 0.00 O ATOM 882 CB ILE A 59 5.704 -28.142 -2.636 1.00 0.00 C ATOM 883 CG1 ILE A 59 7.046 -27.443 -2.936 1.00 0.00 C ATOM 884 CG2 ILE A 59 5.594 -29.453 -3.447 1.00 0.00 C ATOM 885 CD1 ILE A 59 8.221 -28.334 -2.552 1.00 0.00 C ATOM 0 H ILE A 59 4.788 -25.970 -4.480 1.00 0.00 H new ATOM 0 HA ILE A 59 3.611 -27.738 -2.470 1.00 0.00 H new ATOM 0 HB ILE A 59 5.684 -28.413 -1.580 1.00 0.00 H new ATOM 0 HG12 ILE A 59 7.103 -27.196 -3.996 1.00 0.00 H new ATOM 0 HG13 ILE A 59 7.102 -26.503 -2.386 1.00 0.00 H new ATOM 0 HG21 ILE A 59 6.478 -30.065 -3.270 1.00 0.00 H new ATOM 0 HG22 ILE A 59 4.705 -30.001 -3.135 1.00 0.00 H new ATOM 0 HG23 ILE A 59 5.521 -29.219 -4.509 1.00 0.00 H new ATOM 0 HD11 ILE A 59 9.156 -27.819 -2.773 1.00 0.00 H new ATOM 0 HD12 ILE A 59 8.174 -28.559 -1.487 1.00 0.00 H new ATOM 0 HD13 ILE A 59 8.175 -29.262 -3.121 1.00 0.00 H new ATOM 897 N VAL A 60 4.653 -26.039 -0.659 1.00 0.00 N ATOM 898 CA VAL A 60 4.848 -24.911 0.247 1.00 0.00 C ATOM 899 C VAL A 60 6.255 -25.028 0.841 1.00 0.00 C ATOM 900 O VAL A 60 6.690 -26.129 1.191 1.00 0.00 O ATOM 901 CB VAL A 60 3.767 -24.951 1.343 1.00 0.00 C ATOM 902 CG1 VAL A 60 3.837 -23.723 2.263 1.00 0.00 C ATOM 903 CG2 VAL A 60 2.336 -25.052 0.785 1.00 0.00 C ATOM 0 H VAL A 60 4.537 -26.932 -0.180 1.00 0.00 H new ATOM 0 HA VAL A 60 4.758 -23.958 -0.275 1.00 0.00 H new ATOM 0 HB VAL A 60 3.984 -25.857 1.909 1.00 0.00 H new ATOM 0 HG11 VAL A 60 3.057 -23.792 3.021 1.00 0.00 H new ATOM 0 HG12 VAL A 60 4.813 -23.687 2.748 1.00 0.00 H new ATOM 0 HG13 VAL A 60 3.691 -22.818 1.673 1.00 0.00 H new ATOM 0 HG21 VAL A 60 1.624 -25.076 1.610 1.00 0.00 H new ATOM 0 HG22 VAL A 60 2.130 -24.188 0.153 1.00 0.00 H new ATOM 0 HG23 VAL A 60 2.239 -25.964 0.196 1.00 0.00 H new ATOM 913 N LYS A 61 6.958 -23.905 1.008 1.00 0.00 N ATOM 914 CA LYS A 61 8.306 -23.840 1.576 1.00 0.00 C ATOM 915 C LYS A 61 8.392 -22.705 2.588 1.00 0.00 C ATOM 916 O LYS A 61 7.529 -21.825 2.613 1.00 0.00 O ATOM 917 CB LYS A 61 9.338 -23.613 0.454 1.00 0.00 C ATOM 918 CG LYS A 61 9.648 -24.899 -0.324 1.00 0.00 C ATOM 919 CD LYS A 61 10.731 -24.667 -1.391 1.00 0.00 C ATOM 920 CE LYS A 61 12.137 -24.433 -0.816 1.00 0.00 C ATOM 921 NZ LYS A 61 12.831 -25.700 -0.476 1.00 0.00 N ATOM 0 H LYS A 61 6.594 -22.989 0.744 1.00 0.00 H new ATOM 0 HA LYS A 61 8.522 -24.783 2.078 1.00 0.00 H new ATOM 0 HB2 LYS A 61 8.962 -22.857 -0.235 1.00 0.00 H new ATOM 0 HB3 LYS A 61 10.259 -23.221 0.885 1.00 0.00 H new ATOM 0 HG2 LYS A 61 9.978 -25.673 0.368 1.00 0.00 H new ATOM 0 HG3 LYS A 61 8.739 -25.265 -0.801 1.00 0.00 H new ATOM 0 HD2 LYS A 61 10.761 -25.530 -2.057 1.00 0.00 H new ATOM 0 HD3 LYS A 61 10.450 -23.806 -1.998 1.00 0.00 H new ATOM 0 HE2 LYS A 61 12.734 -23.879 -1.540 1.00 0.00 H new ATOM 0 HE3 LYS A 61 12.062 -23.813 0.077 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 13.774 -25.487 -0.093 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 12.277 -26.219 0.235 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 12.929 -26.283 -1.332 1.00 0.00 H new ATOM 935 N LYS A 62 9.469 -22.697 3.375 1.00 0.00 N ATOM 936 CA LYS A 62 9.839 -21.608 4.275 1.00 0.00 C ATOM 937 C LYS A 62 11.274 -21.233 3.937 1.00 0.00 C ATOM 938 O LYS A 62 12.135 -22.114 3.915 1.00 0.00 O ATOM 939 CB LYS A 62 9.702 -22.063 5.737 1.00 0.00 C ATOM 940 CG LYS A 62 10.077 -20.968 6.751 1.00 0.00 C ATOM 941 CD LYS A 62 9.901 -21.479 8.188 1.00 0.00 C ATOM 942 CE LYS A 62 10.448 -20.458 9.197 1.00 0.00 C ATOM 943 NZ LYS A 62 10.294 -20.923 10.599 1.00 0.00 N ATOM 0 H LYS A 62 10.128 -23.475 3.403 1.00 0.00 H new ATOM 0 HA LYS A 62 9.186 -20.744 4.153 1.00 0.00 H new ATOM 0 HB2 LYS A 62 8.675 -22.380 5.917 1.00 0.00 H new ATOM 0 HB3 LYS A 62 10.337 -22.934 5.901 1.00 0.00 H new ATOM 0 HG2 LYS A 62 11.110 -20.657 6.594 1.00 0.00 H new ATOM 0 HG3 LYS A 62 9.452 -20.089 6.593 1.00 0.00 H new ATOM 0 HD2 LYS A 62 8.845 -21.665 8.387 1.00 0.00 H new ATOM 0 HD3 LYS A 62 10.420 -22.430 8.307 1.00 0.00 H new ATOM 0 HE2 LYS A 62 11.502 -20.273 8.990 1.00 0.00 H new ATOM 0 HE3 LYS A 62 9.927 -19.509 9.071 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 10.876 -20.333 11.227 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 9.296 -20.849 10.882 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 10.602 -21.914 10.672 1.00 0.00 H new ATOM 957 N GLU A 63 11.533 -19.959 3.651 1.00 0.00 N ATOM 958 CA GLU A 63 12.824 -19.459 3.177 1.00 0.00 C ATOM 959 C GLU A 63 13.011 -18.029 3.699 1.00 0.00 C ATOM 960 O GLU A 63 12.048 -17.398 4.135 1.00 0.00 O ATOM 961 CB GLU A 63 12.874 -19.503 1.635 1.00 0.00 C ATOM 962 CG GLU A 63 12.924 -20.937 1.082 1.00 0.00 C ATOM 963 CD GLU A 63 13.070 -20.978 -0.445 1.00 0.00 C ATOM 964 OE1 GLU A 63 14.215 -20.967 -0.951 1.00 0.00 O ATOM 965 OE2 GLU A 63 12.031 -21.082 -1.135 1.00 0.00 O ATOM 0 H GLU A 63 10.832 -19.224 3.745 1.00 0.00 H new ATOM 0 HA GLU A 63 13.635 -20.085 3.550 1.00 0.00 H new ATOM 0 HB2 GLU A 63 11.998 -18.994 1.233 1.00 0.00 H new ATOM 0 HB3 GLU A 63 13.749 -18.954 1.288 1.00 0.00 H new ATOM 0 HG2 GLU A 63 13.760 -21.469 1.537 1.00 0.00 H new ATOM 0 HG3 GLU A 63 12.015 -21.465 1.370 1.00 0.00 H new ATOM 972 N LEU A 64 14.244 -17.515 3.711 1.00 0.00 N ATOM 973 CA LEU A 64 14.532 -16.153 4.160 1.00 0.00 C ATOM 974 C LEU A 64 13.980 -15.174 3.119 1.00 0.00 C ATOM 975 O LEU A 64 14.233 -15.349 1.924 1.00 0.00 O ATOM 976 CB LEU A 64 16.053 -15.997 4.362 1.00 0.00 C ATOM 977 CG LEU A 64 16.499 -14.970 5.424 1.00 0.00 C ATOM 978 CD1 LEU A 64 16.025 -13.546 5.148 1.00 0.00 C ATOM 979 CD2 LEU A 64 16.087 -15.381 6.843 1.00 0.00 C ATOM 0 H LEU A 64 15.070 -18.033 3.409 1.00 0.00 H new ATOM 0 HA LEU A 64 14.053 -15.940 5.116 1.00 0.00 H new ATOM 0 HB2 LEU A 64 16.464 -16.970 4.633 1.00 0.00 H new ATOM 0 HB3 LEU A 64 16.498 -15.717 3.407 1.00 0.00 H new ATOM 0 HG LEU A 64 17.587 -14.970 5.354 1.00 0.00 H new ATOM 0 HD11 LEU A 64 16.379 -12.885 5.939 1.00 0.00 H new ATOM 0 HD12 LEU A 64 16.421 -13.210 4.190 1.00 0.00 H new ATOM 0 HD13 LEU A 64 14.936 -13.525 5.118 1.00 0.00 H new ATOM 0 HD21 LEU A 64 16.424 -14.626 7.553 1.00 0.00 H new ATOM 0 HD22 LEU A 64 15.002 -15.470 6.895 1.00 0.00 H new ATOM 0 HD23 LEU A 64 16.542 -16.340 7.091 1.00 0.00 H new ATOM 991 N LEU A 65 13.247 -14.142 3.558 1.00 0.00 N ATOM 992 CA LEU A 65 12.538 -13.208 2.682 1.00 0.00 C ATOM 993 C LEU A 65 13.422 -12.672 1.567 1.00 0.00 C ATOM 994 O LEU A 65 13.005 -12.677 0.411 1.00 0.00 O ATOM 995 CB LEU A 65 11.954 -12.052 3.512 1.00 0.00 C ATOM 996 CG LEU A 65 10.995 -11.143 2.711 1.00 0.00 C ATOM 997 CD1 LEU A 65 10.040 -10.440 3.688 1.00 0.00 C ATOM 998 CD2 LEU A 65 11.692 -10.017 1.936 1.00 0.00 C ATOM 0 H LEU A 65 13.130 -13.932 4.549 1.00 0.00 H new ATOM 0 HA LEU A 65 11.728 -13.758 2.204 1.00 0.00 H new ATOM 0 HB2 LEU A 65 11.421 -12.463 4.369 1.00 0.00 H new ATOM 0 HB3 LEU A 65 12.772 -11.448 3.905 1.00 0.00 H new ATOM 0 HG LEU A 65 10.499 -11.803 2.000 1.00 0.00 H new ATOM 0 HD11 LEU A 65 9.359 -9.796 3.131 1.00 0.00 H new ATOM 0 HD12 LEU A 65 9.466 -11.187 4.237 1.00 0.00 H new ATOM 0 HD13 LEU A 65 10.616 -9.838 4.390 1.00 0.00 H new ATOM 0 HD21 LEU A 65 10.947 -9.427 1.402 1.00 0.00 H new ATOM 0 HD22 LEU A 65 12.231 -9.375 2.633 1.00 0.00 H new ATOM 0 HD23 LEU A 65 12.394 -10.447 1.222 1.00 0.00 H new ATOM 1010 N TYR A 66 14.629 -12.208 1.892 1.00 0.00 N ATOM 1011 CA TYR A 66 15.462 -11.490 0.935 1.00 0.00 C ATOM 1012 C TYR A 66 15.860 -12.374 -0.254 1.00 0.00 C ATOM 1013 O TYR A 66 16.098 -11.850 -1.342 1.00 0.00 O ATOM 1014 CB TYR A 66 16.698 -10.908 1.637 1.00 0.00 C ATOM 1015 CG TYR A 66 16.426 -10.255 2.986 1.00 0.00 C ATOM 1016 CD1 TYR A 66 15.386 -9.315 3.140 1.00 0.00 C ATOM 1017 CD2 TYR A 66 17.191 -10.634 4.106 1.00 0.00 C ATOM 1018 CE1 TYR A 66 15.098 -8.780 4.409 1.00 0.00 C ATOM 1019 CE2 TYR A 66 16.903 -10.111 5.377 1.00 0.00 C ATOM 1020 CZ TYR A 66 15.852 -9.178 5.536 1.00 0.00 C ATOM 1021 OH TYR A 66 15.559 -8.655 6.761 1.00 0.00 O ATOM 0 H TYR A 66 15.050 -12.319 2.814 1.00 0.00 H new ATOM 0 HA TYR A 66 14.874 -10.666 0.531 1.00 0.00 H new ATOM 0 HB2 TYR A 66 17.427 -11.706 1.777 1.00 0.00 H new ATOM 0 HB3 TYR A 66 17.157 -10.170 0.979 1.00 0.00 H new ATOM 0 HD1 TYR A 66 14.809 -9.005 2.281 1.00 0.00 H new ATOM 0 HD2 TYR A 66 18.006 -11.333 3.986 1.00 0.00 H new ATOM 0 HE1 TYR A 66 14.298 -8.063 4.522 1.00 0.00 H new ATOM 0 HE2 TYR A 66 17.484 -10.421 6.233 1.00 0.00 H new ATOM 0 HH TYR A 66 16.167 -9.031 7.431 1.00 0.00 H new ATOM 1031 N ASP A 67 15.907 -13.701 -0.076 1.00 0.00 N ATOM 1032 CA ASP A 67 16.154 -14.629 -1.177 1.00 0.00 C ATOM 1033 C ASP A 67 14.886 -14.811 -2.015 1.00 0.00 C ATOM 1034 O ASP A 67 14.946 -14.740 -3.243 1.00 0.00 O ATOM 1035 CB ASP A 67 16.631 -15.986 -0.654 1.00 0.00 C ATOM 1036 CG ASP A 67 16.928 -16.926 -1.832 1.00 0.00 C ATOM 1037 OD1 ASP A 67 18.013 -16.806 -2.444 1.00 0.00 O ATOM 1038 OD2 ASP A 67 16.089 -17.798 -2.146 1.00 0.00 O ATOM 0 H ASP A 67 15.776 -14.154 0.828 1.00 0.00 H new ATOM 0 HA ASP A 67 16.939 -14.205 -1.804 1.00 0.00 H new ATOM 0 HB2 ASP A 67 17.526 -15.857 -0.046 1.00 0.00 H new ATOM 0 HB3 ASP A 67 15.869 -16.425 -0.010 1.00 0.00 H new ATOM 1043 N VAL A 68 13.727 -14.966 -1.359 1.00 0.00 N ATOM 1044 CA VAL A 68 12.421 -15.060 -2.018 1.00 0.00 C ATOM 1045 C VAL A 68 12.166 -13.810 -2.871 1.00 0.00 C ATOM 1046 O VAL A 68 11.601 -13.909 -3.964 1.00 0.00 O ATOM 1047 CB VAL A 68 11.308 -15.296 -0.962 1.00 0.00 C ATOM 1048 CG1 VAL A 68 9.912 -15.390 -1.597 1.00 0.00 C ATOM 1049 CG2 VAL A 68 11.573 -16.611 -0.208 1.00 0.00 C ATOM 0 H VAL A 68 13.672 -15.030 -0.343 1.00 0.00 H new ATOM 0 HA VAL A 68 12.412 -15.915 -2.694 1.00 0.00 H new ATOM 0 HB VAL A 68 11.330 -14.441 -0.286 1.00 0.00 H new ATOM 0 HG11 VAL A 68 9.168 -15.555 -0.818 1.00 0.00 H new ATOM 0 HG12 VAL A 68 9.688 -14.461 -2.122 1.00 0.00 H new ATOM 0 HG13 VAL A 68 9.889 -16.220 -2.303 1.00 0.00 H new ATOM 0 HG21 VAL A 68 10.788 -16.771 0.532 1.00 0.00 H new ATOM 0 HG22 VAL A 68 11.580 -17.441 -0.915 1.00 0.00 H new ATOM 0 HG23 VAL A 68 12.539 -16.554 0.294 1.00 0.00 H new ATOM 1059 N ALA A 69 12.620 -12.646 -2.403 1.00 0.00 N ATOM 1060 CA ALA A 69 12.401 -11.358 -3.035 1.00 0.00 C ATOM 1061 C ALA A 69 13.531 -10.943 -3.986 1.00 0.00 C ATOM 1062 O ALA A 69 13.568 -9.787 -4.412 1.00 0.00 O ATOM 1063 CB ALA A 69 12.200 -10.307 -1.942 1.00 0.00 C ATOM 0 H ALA A 69 13.167 -12.579 -1.545 1.00 0.00 H new ATOM 0 HA ALA A 69 11.511 -11.441 -3.659 1.00 0.00 H new ATOM 0 HB1 ALA A 69 12.034 -9.332 -2.401 1.00 0.00 H new ATOM 0 HB2 ALA A 69 11.335 -10.574 -1.335 1.00 0.00 H new ATOM 0 HB3 ALA A 69 13.087 -10.264 -1.311 1.00 0.00 H new ATOM 1069 N GLY A 70 14.458 -11.853 -4.306 1.00 0.00 N ATOM 1070 CA GLY A 70 15.682 -11.551 -5.043 1.00 0.00 C ATOM 1071 C GLY A 70 15.464 -10.891 -6.410 1.00 0.00 C ATOM 1072 O GLY A 70 16.383 -10.239 -6.911 1.00 0.00 O ATOM 0 H GLY A 70 14.373 -12.838 -4.053 1.00 0.00 H new ATOM 0 HA2 GLY A 70 16.304 -10.895 -4.434 1.00 0.00 H new ATOM 0 HA3 GLY A 70 16.240 -12.476 -5.187 1.00 0.00 H new ATOM 1076 N SER A 71 14.281 -11.045 -7.018 1.00 0.00 N ATOM 1077 CA SER A 71 13.971 -10.515 -8.337 1.00 0.00 C ATOM 1078 C SER A 71 14.153 -8.998 -8.437 1.00 0.00 C ATOM 1079 O SER A 71 14.803 -8.528 -9.374 1.00 0.00 O ATOM 1080 CB SER A 71 12.533 -10.888 -8.699 1.00 0.00 C ATOM 1081 OG SER A 71 12.312 -12.283 -8.567 1.00 0.00 O ATOM 0 H SER A 71 13.504 -11.551 -6.593 1.00 0.00 H new ATOM 0 HA SER A 71 14.677 -10.959 -9.039 1.00 0.00 H new ATOM 0 HB2 SER A 71 11.841 -10.346 -8.054 1.00 0.00 H new ATOM 0 HB3 SER A 71 12.322 -10.580 -9.723 1.00 0.00 H new ATOM 0 HG SER A 71 12.357 -12.706 -9.450 1.00 0.00 H new ATOM 1087 N ASP A 72 13.580 -8.234 -7.502 1.00 0.00 N ATOM 1088 CA ASP A 72 13.573 -6.776 -7.567 1.00 0.00 C ATOM 1089 C ASP A 72 13.297 -6.107 -6.232 1.00 0.00 C ATOM 1090 O ASP A 72 14.191 -5.487 -5.653 1.00 0.00 O ATOM 1091 CB ASP A 72 12.556 -6.287 -8.612 1.00 0.00 C ATOM 1092 CG ASP A 72 12.644 -4.771 -8.824 1.00 0.00 C ATOM 1093 OD1 ASP A 72 13.742 -4.254 -9.127 1.00 0.00 O ATOM 1094 OD2 ASP A 72 11.599 -4.095 -8.718 1.00 0.00 O ATOM 0 H ASP A 72 13.109 -8.612 -6.680 1.00 0.00 H new ATOM 0 HA ASP A 72 14.582 -6.487 -7.861 1.00 0.00 H new ATOM 0 HB2 ASP A 72 12.733 -6.798 -9.559 1.00 0.00 H new ATOM 0 HB3 ASP A 72 11.549 -6.552 -8.291 1.00 0.00 H new ATOM 1099 N LYS A 73 12.068 -6.240 -5.740 1.00 0.00 N ATOM 1100 CA LYS A 73 11.531 -5.454 -4.634 1.00 0.00 C ATOM 1101 C LYS A 73 10.372 -6.210 -3.995 1.00 0.00 C ATOM 1102 O LYS A 73 9.930 -7.233 -4.519 1.00 0.00 O ATOM 1103 CB LYS A 73 11.038 -4.103 -5.198 1.00 0.00 C ATOM 1104 CG LYS A 73 12.171 -3.098 -5.456 1.00 0.00 C ATOM 1105 CD LYS A 73 11.685 -1.639 -5.541 1.00 0.00 C ATOM 1106 CE LYS A 73 10.641 -1.347 -6.631 1.00 0.00 C ATOM 1107 NZ LYS A 73 11.183 -1.479 -8.005 1.00 0.00 N ATOM 0 H LYS A 73 11.400 -6.916 -6.110 1.00 0.00 H new ATOM 0 HA LYS A 73 12.296 -5.282 -3.877 1.00 0.00 H new ATOM 0 HB2 LYS A 73 10.502 -4.281 -6.130 1.00 0.00 H new ATOM 0 HB3 LYS A 73 10.326 -3.664 -4.499 1.00 0.00 H new ATOM 0 HG2 LYS A 73 12.910 -3.182 -4.659 1.00 0.00 H new ATOM 0 HG3 LYS A 73 12.675 -3.360 -6.386 1.00 0.00 H new ATOM 0 HD2 LYS A 73 11.264 -1.359 -4.576 1.00 0.00 H new ATOM 0 HD3 LYS A 73 12.549 -0.997 -5.710 1.00 0.00 H new ATOM 0 HE2 LYS A 73 9.799 -2.029 -6.512 1.00 0.00 H new ATOM 0 HE3 LYS A 73 10.255 -0.337 -6.495 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 10.429 -1.287 -8.695 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 11.958 -0.798 -8.140 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 11.543 -2.445 -8.145 1.00 0.00 H new ATOM 1121 N TYR A 74 9.875 -5.707 -2.868 1.00 0.00 N ATOM 1122 CA TYR A 74 8.794 -6.311 -2.105 1.00 0.00 C ATOM 1123 C TYR A 74 8.232 -5.285 -1.127 1.00 0.00 C ATOM 1124 O TYR A 74 8.938 -4.347 -0.743 1.00 0.00 O ATOM 1125 CB TYR A 74 9.331 -7.517 -1.326 1.00 0.00 C ATOM 1126 CG TYR A 74 10.469 -7.192 -0.362 1.00 0.00 C ATOM 1127 CD1 TYR A 74 11.806 -7.187 -0.811 1.00 0.00 C ATOM 1128 CD2 TYR A 74 10.193 -6.868 0.981 1.00 0.00 C ATOM 1129 CE1 TYR A 74 12.860 -6.928 0.081 1.00 0.00 C ATOM 1130 CE2 TYR A 74 11.243 -6.583 1.877 1.00 0.00 C ATOM 1131 CZ TYR A 74 12.586 -6.628 1.432 1.00 0.00 C ATOM 1132 OH TYR A 74 13.625 -6.362 2.272 1.00 0.00 O ATOM 0 H TYR A 74 10.225 -4.844 -2.452 1.00 0.00 H new ATOM 0 HA TYR A 74 8.007 -6.638 -2.784 1.00 0.00 H new ATOM 0 HB2 TYR A 74 8.512 -7.964 -0.763 1.00 0.00 H new ATOM 0 HB3 TYR A 74 9.677 -8.268 -2.037 1.00 0.00 H new ATOM 0 HD1 TYR A 74 12.022 -7.384 -1.851 1.00 0.00 H new ATOM 0 HD2 TYR A 74 9.170 -6.838 1.326 1.00 0.00 H new ATOM 0 HE1 TYR A 74 13.882 -6.959 -0.268 1.00 0.00 H new ATOM 0 HE2 TYR A 74 11.023 -6.330 2.904 1.00 0.00 H new ATOM 0 HH TYR A 74 14.040 -7.203 2.556 1.00 0.00 H new ATOM 1142 N GLN A 75 6.990 -5.475 -0.684 1.00 0.00 N ATOM 1143 CA GLN A 75 6.390 -4.687 0.387 1.00 0.00 C ATOM 1144 C GLN A 75 5.254 -5.474 1.047 1.00 0.00 C ATOM 1145 O GLN A 75 4.799 -6.484 0.511 1.00 0.00 O ATOM 1146 CB GLN A 75 5.949 -3.286 -0.103 1.00 0.00 C ATOM 1147 CG GLN A 75 5.170 -3.221 -1.430 1.00 0.00 C ATOM 1148 CD GLN A 75 6.045 -3.299 -2.692 1.00 0.00 C ATOM 1149 OE1 GLN A 75 7.160 -2.789 -2.758 1.00 0.00 O ATOM 1150 NE2 GLN A 75 5.551 -3.929 -3.740 1.00 0.00 N ATOM 0 H GLN A 75 6.367 -6.188 -1.064 1.00 0.00 H new ATOM 0 HA GLN A 75 7.147 -4.503 1.149 1.00 0.00 H new ATOM 0 HB2 GLN A 75 5.332 -2.834 0.674 1.00 0.00 H new ATOM 0 HB3 GLN A 75 6.840 -2.666 -0.203 1.00 0.00 H new ATOM 0 HG2 GLN A 75 4.449 -4.038 -1.453 1.00 0.00 H new ATOM 0 HG3 GLN A 75 4.600 -2.292 -1.456 1.00 0.00 H new ATOM 0 HE21 GLN A 75 4.625 -4.354 -3.690 1.00 0.00 H new ATOM 0 HE22 GLN A 75 6.095 -3.991 -4.601 1.00 0.00 H new ATOM 1159 N VAL A 76 4.793 -5.020 2.215 1.00 0.00 N ATOM 1160 CA VAL A 76 3.579 -5.542 2.829 1.00 0.00 C ATOM 1161 C VAL A 76 2.409 -5.116 1.940 1.00 0.00 C ATOM 1162 O VAL A 76 2.365 -3.978 1.463 1.00 0.00 O ATOM 1163 CB VAL A 76 3.434 -5.010 4.270 1.00 0.00 C ATOM 1164 CG1 VAL A 76 2.109 -5.428 4.933 1.00 0.00 C ATOM 1165 CG2 VAL A 76 4.577 -5.509 5.162 1.00 0.00 C ATOM 0 H VAL A 76 5.250 -4.285 2.755 1.00 0.00 H new ATOM 0 HA VAL A 76 3.607 -6.629 2.905 1.00 0.00 H new ATOM 0 HB VAL A 76 3.459 -3.924 4.180 1.00 0.00 H new ATOM 0 HG11 VAL A 76 2.065 -5.024 5.944 1.00 0.00 H new ATOM 0 HG12 VAL A 76 1.273 -5.041 4.351 1.00 0.00 H new ATOM 0 HG13 VAL A 76 2.050 -6.516 4.974 1.00 0.00 H new ATOM 0 HG21 VAL A 76 4.448 -5.118 6.171 1.00 0.00 H new ATOM 0 HG22 VAL A 76 4.567 -6.599 5.191 1.00 0.00 H new ATOM 0 HG23 VAL A 76 5.530 -5.166 4.759 1.00 0.00 H new ATOM 1175 N ASN A 77 1.443 -6.014 1.751 1.00 0.00 N ATOM 1176 CA ASN A 77 0.168 -5.701 1.109 1.00 0.00 C ATOM 1177 C ASN A 77 -0.910 -6.622 1.673 1.00 0.00 C ATOM 1178 O ASN A 77 -1.336 -7.575 1.021 1.00 0.00 O ATOM 1179 CB ASN A 77 0.263 -5.776 -0.425 1.00 0.00 C ATOM 1180 CG ASN A 77 -1.039 -5.342 -1.105 1.00 0.00 C ATOM 1181 OD1 ASN A 77 -1.987 -4.874 -0.477 1.00 0.00 O ATOM 1182 ND2 ASN A 77 -1.100 -5.450 -2.419 1.00 0.00 N ATOM 0 H ASN A 77 1.525 -6.988 2.042 1.00 0.00 H new ATOM 0 HA ASN A 77 -0.103 -4.669 1.333 1.00 0.00 H new ATOM 0 HB2 ASN A 77 1.080 -5.141 -0.769 1.00 0.00 H new ATOM 0 HB3 ASN A 77 0.505 -6.796 -0.723 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -1.936 -5.145 -2.918 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -0.311 -5.839 -2.936 1.00 0.00 H new ATOM 1189 N ASN A 78 -1.296 -6.387 2.929 1.00 0.00 N ATOM 1190 CA ASN A 78 -2.417 -7.080 3.562 1.00 0.00 C ATOM 1191 C ASN A 78 -3.701 -6.646 2.853 1.00 0.00 C ATOM 1192 O ASN A 78 -4.264 -5.597 3.179 1.00 0.00 O ATOM 1193 CB ASN A 78 -2.513 -6.756 5.059 1.00 0.00 C ATOM 1194 CG ASN A 78 -1.408 -7.362 5.900 1.00 0.00 C ATOM 1195 OD1 ASN A 78 -1.080 -8.533 5.752 1.00 0.00 O ATOM 1196 ND2 ASN A 78 -0.838 -6.594 6.810 1.00 0.00 N ATOM 0 H ASN A 78 -0.837 -5.708 3.537 1.00 0.00 H new ATOM 0 HA ASN A 78 -2.267 -8.156 3.474 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -2.498 -5.674 5.186 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -3.474 -7.108 5.434 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -0.106 -6.973 7.411 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -1.130 -5.622 6.912 1.00 0.00 H new ATOM 1203 N LYS A 79 -4.136 -7.408 1.847 1.00 0.00 N ATOM 1204 CA LYS A 79 -5.253 -6.998 0.993 1.00 0.00 C ATOM 1205 C LYS A 79 -6.517 -6.833 1.840 1.00 0.00 C ATOM 1206 O LYS A 79 -6.955 -7.784 2.489 1.00 0.00 O ATOM 1207 CB LYS A 79 -5.451 -7.973 -0.183 1.00 0.00 C ATOM 1208 CG LYS A 79 -4.265 -7.903 -1.164 1.00 0.00 C ATOM 1209 CD LYS A 79 -4.469 -8.651 -2.490 1.00 0.00 C ATOM 1210 CE LYS A 79 -5.654 -8.097 -3.300 1.00 0.00 C ATOM 1211 NZ LYS A 79 -5.562 -8.426 -4.743 1.00 0.00 N ATOM 0 H LYS A 79 -3.732 -8.312 1.604 1.00 0.00 H new ATOM 0 HA LYS A 79 -5.023 -6.031 0.545 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -5.554 -8.990 0.196 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -6.376 -7.733 -0.707 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -4.057 -6.856 -1.384 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -3.381 -8.306 -0.670 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -3.560 -8.581 -3.087 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -4.635 -9.709 -2.285 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -6.584 -8.499 -2.898 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -5.697 -7.014 -3.180 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -6.519 -8.509 -5.142 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -5.044 -7.672 -5.239 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -5.058 -9.328 -4.862 1.00 0.00 H new ATOM 1225 N HIS A 80 -7.097 -5.628 1.805 1.00 0.00 N ATOM 1226 CA HIS A 80 -8.280 -5.210 2.558 1.00 0.00 C ATOM 1227 C HIS A 80 -8.200 -5.565 4.041 1.00 0.00 C ATOM 1228 O HIS A 80 -9.196 -5.969 4.637 1.00 0.00 O ATOM 1229 CB HIS A 80 -9.576 -5.683 1.889 1.00 0.00 C ATOM 1230 CG HIS A 80 -9.760 -5.153 0.489 1.00 0.00 C ATOM 1231 ND1 HIS A 80 -10.334 -3.922 0.158 1.00 0.00 N ATOM 1232 CD2 HIS A 80 -9.363 -5.782 -0.655 1.00 0.00 C ATOM 1233 CE1 HIS A 80 -10.275 -3.844 -1.185 1.00 0.00 C ATOM 1234 NE2 HIS A 80 -9.698 -4.946 -1.697 1.00 0.00 N ATOM 0 H HIS A 80 -6.732 -4.879 1.217 1.00 0.00 H new ATOM 0 HA HIS A 80 -8.301 -4.121 2.531 1.00 0.00 H new ATOM 0 HB2 HIS A 80 -9.584 -6.773 1.860 1.00 0.00 H new ATOM 0 HB3 HIS A 80 -10.424 -5.374 2.500 1.00 0.00 H new ATOM 0 HD2 HIS A 80 -8.881 -6.746 -0.729 1.00 0.00 H new ATOM 0 HE1 HIS A 80 -10.640 -3.013 -1.770 1.00 0.00 H new ATOM 0 HE2 HIS A 80 -9.536 -5.131 -2.687 1.00 0.00 H new ATOM 1242 N ASP A 81 -7.046 -5.320 4.665 1.00 0.00 N ATOM 1243 CA ASP A 81 -6.864 -5.393 6.125 1.00 0.00 C ATOM 1244 C ASP A 81 -7.883 -4.549 6.908 1.00 0.00 C ATOM 1245 O ASP A 81 -8.095 -4.759 8.103 1.00 0.00 O ATOM 1246 CB ASP A 81 -5.458 -4.895 6.473 1.00 0.00 C ATOM 1247 CG ASP A 81 -5.133 -5.018 7.971 1.00 0.00 C ATOM 1248 OD1 ASP A 81 -4.914 -6.155 8.447 1.00 0.00 O ATOM 1249 OD2 ASP A 81 -5.022 -3.976 8.658 1.00 0.00 O ATOM 0 H ASP A 81 -6.195 -5.061 4.166 1.00 0.00 H new ATOM 0 HA ASP A 81 -7.012 -6.434 6.412 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -4.725 -5.462 5.900 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -5.362 -3.852 6.170 1.00 0.00 H new ATOM 1254 N ASP A 82 -8.519 -3.583 6.237 1.00 0.00 N ATOM 1255 CA ASP A 82 -9.486 -2.664 6.837 1.00 0.00 C ATOM 1256 C ASP A 82 -10.880 -3.292 6.882 1.00 0.00 C ATOM 1257 O ASP A 82 -11.710 -2.900 7.705 1.00 0.00 O ATOM 1258 CB ASP A 82 -9.532 -1.358 6.033 1.00 0.00 C ATOM 1259 CG ASP A 82 -10.486 -0.329 6.668 1.00 0.00 C ATOM 1260 OD1 ASP A 82 -10.197 0.160 7.784 1.00 0.00 O ATOM 1261 OD2 ASP A 82 -11.498 0.033 6.028 1.00 0.00 O ATOM 0 H ASP A 82 -8.371 -3.417 5.242 1.00 0.00 H new ATOM 0 HA ASP A 82 -9.170 -2.452 7.858 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -8.530 -0.934 5.970 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -9.853 -1.570 5.013 1.00 0.00 H new ATOM 1266 N LYS A 83 -11.138 -4.281 6.016 1.00 0.00 N ATOM 1267 CA LYS A 83 -12.446 -4.916 5.867 1.00 0.00 C ATOM 1268 C LYS A 83 -12.414 -6.367 6.338 1.00 0.00 C ATOM 1269 O LYS A 83 -13.452 -6.877 6.761 1.00 0.00 O ATOM 1270 CB LYS A 83 -12.912 -4.863 4.397 1.00 0.00 C ATOM 1271 CG LYS A 83 -12.776 -3.519 3.678 1.00 0.00 C ATOM 1272 CD LYS A 83 -13.507 -2.384 4.400 1.00 0.00 C ATOM 1273 CE LYS A 83 -13.416 -1.147 3.511 1.00 0.00 C ATOM 1274 NZ LYS A 83 -13.651 0.103 4.270 1.00 0.00 N ATOM 0 H LYS A 83 -10.430 -4.666 5.391 1.00 0.00 H new ATOM 0 HA LYS A 83 -13.150 -4.363 6.489 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -12.348 -5.608 3.835 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -13.959 -5.163 4.362 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -11.720 -3.265 3.588 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -13.169 -3.612 2.666 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -14.548 -2.651 4.581 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -13.054 -2.192 5.373 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -12.432 -1.108 3.045 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -14.147 -1.225 2.706 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -13.782 0.893 3.606 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -14.504 -0.002 4.856 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -12.832 0.297 4.881 1.00 0.00 H new ATOM 1288 N TYR A 84 -11.249 -7.020 6.290 1.00 0.00 N ATOM 1289 CA TYR A 84 -11.116 -8.460 6.488 1.00 0.00 C ATOM 1290 C TYR A 84 -9.815 -8.809 7.210 1.00 0.00 C ATOM 1291 O TYR A 84 -8.864 -8.027 7.180 1.00 0.00 O ATOM 1292 CB TYR A 84 -11.131 -9.145 5.111 1.00 0.00 C ATOM 1293 CG TYR A 84 -12.423 -8.980 4.333 1.00 0.00 C ATOM 1294 CD1 TYR A 84 -13.626 -9.510 4.841 1.00 0.00 C ATOM 1295 CD2 TYR A 84 -12.427 -8.283 3.112 1.00 0.00 C ATOM 1296 CE1 TYR A 84 -14.827 -9.347 4.128 1.00 0.00 C ATOM 1297 CE2 TYR A 84 -13.624 -8.113 2.393 1.00 0.00 C ATOM 1298 CZ TYR A 84 -14.832 -8.647 2.899 1.00 0.00 C ATOM 1299 OH TYR A 84 -16.003 -8.493 2.219 1.00 0.00 O ATOM 0 H TYR A 84 -10.360 -6.553 6.110 1.00 0.00 H new ATOM 0 HA TYR A 84 -11.945 -8.806 7.105 1.00 0.00 H new ATOM 0 HB2 TYR A 84 -10.310 -8.747 4.514 1.00 0.00 H new ATOM 0 HB3 TYR A 84 -10.939 -10.209 5.248 1.00 0.00 H new ATOM 0 HD1 TYR A 84 -13.625 -10.043 5.780 1.00 0.00 H new ATOM 0 HD2 TYR A 84 -11.505 -7.876 2.724 1.00 0.00 H new ATOM 0 HE1 TYR A 84 -15.746 -9.757 4.519 1.00 0.00 H new ATOM 0 HE2 TYR A 84 -13.621 -7.576 1.456 1.00 0.00 H new ATOM 0 HH TYR A 84 -15.839 -7.989 1.395 1.00 0.00 H new ATOM 1309 N SER A 85 -9.803 -10.015 7.796 1.00 0.00 N ATOM 1310 CA SER A 85 -8.735 -10.762 8.486 1.00 0.00 C ATOM 1311 C SER A 85 -9.261 -11.222 9.857 1.00 0.00 C ATOM 1312 O SER A 85 -8.950 -10.594 10.872 1.00 0.00 O ATOM 1313 CB SER A 85 -7.383 -10.044 8.606 1.00 0.00 C ATOM 1314 OG SER A 85 -6.839 -9.781 7.325 1.00 0.00 O ATOM 0 H SER A 85 -10.661 -10.567 7.798 1.00 0.00 H new ATOM 0 HA SER A 85 -8.500 -11.617 7.852 1.00 0.00 H new ATOM 0 HB2 SER A 85 -7.510 -9.109 9.151 1.00 0.00 H new ATOM 0 HB3 SER A 85 -6.690 -10.657 9.182 1.00 0.00 H new ATOM 0 HG SER A 85 -7.292 -9.007 6.930 1.00 0.00 H new ATOM 1320 N PRO A 86 -10.100 -12.276 9.916 1.00 0.00 N ATOM 1321 CA PRO A 86 -10.691 -12.749 11.167 1.00 0.00 C ATOM 1322 C PRO A 86 -9.683 -13.375 12.135 1.00 0.00 C ATOM 1323 O PRO A 86 -9.972 -13.504 13.327 1.00 0.00 O ATOM 1324 CB PRO A 86 -11.769 -13.758 10.759 1.00 0.00 C ATOM 1325 CG PRO A 86 -11.295 -14.272 9.403 1.00 0.00 C ATOM 1326 CD PRO A 86 -10.609 -13.054 8.795 1.00 0.00 C ATOM 0 HA PRO A 86 -11.098 -11.904 11.723 1.00 0.00 H new ATOM 0 HB2 PRO A 86 -11.855 -14.566 11.485 1.00 0.00 H new ATOM 0 HB3 PRO A 86 -12.750 -13.288 10.688 1.00 0.00 H new ATOM 0 HG2 PRO A 86 -10.608 -15.112 9.507 1.00 0.00 H new ATOM 0 HG3 PRO A 86 -12.127 -14.615 8.788 1.00 0.00 H new ATOM 0 HD2 PRO A 86 -9.800 -13.354 8.130 1.00 0.00 H new ATOM 0 HD3 PRO A 86 -11.310 -12.468 8.200 1.00 0.00 H new ATOM 1334 N LEU A 87 -8.520 -13.789 11.634 1.00 0.00 N ATOM 1335 CA LEU A 87 -7.542 -14.549 12.396 1.00 0.00 C ATOM 1336 C LEU A 87 -6.521 -13.597 13.026 1.00 0.00 C ATOM 1337 O LEU A 87 -6.000 -12.733 12.313 1.00 0.00 O ATOM 1338 CB LEU A 87 -6.831 -15.524 11.448 1.00 0.00 C ATOM 1339 CG LEU A 87 -7.749 -16.623 10.882 1.00 0.00 C ATOM 1340 CD1 LEU A 87 -6.958 -17.469 9.880 1.00 0.00 C ATOM 1341 CD2 LEU A 87 -8.318 -17.545 11.969 1.00 0.00 C ATOM 0 H LEU A 87 -8.231 -13.601 10.674 1.00 0.00 H new ATOM 0 HA LEU A 87 -8.040 -15.103 13.191 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -6.400 -14.961 10.620 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -6.003 -15.993 11.979 1.00 0.00 H new ATOM 0 HG LEU A 87 -8.592 -16.124 10.403 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -7.602 -18.250 9.475 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -6.603 -16.834 9.068 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -6.106 -17.926 10.383 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -8.957 -18.299 11.509 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -7.499 -18.036 12.495 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -8.903 -16.956 12.676 1.00 0.00 H new ATOM 1353 N PRO A 88 -6.196 -13.743 14.324 1.00 0.00 N ATOM 1354 CA PRO A 88 -5.077 -13.035 14.925 1.00 0.00 C ATOM 1355 C PRO A 88 -3.764 -13.633 14.401 1.00 0.00 C ATOM 1356 O PRO A 88 -3.742 -14.756 13.884 1.00 0.00 O ATOM 1357 CB PRO A 88 -5.242 -13.219 16.436 1.00 0.00 C ATOM 1358 CG PRO A 88 -5.918 -14.583 16.546 1.00 0.00 C ATOM 1359 CD PRO A 88 -6.792 -14.656 15.291 1.00 0.00 C ATOM 0 HA PRO A 88 -5.054 -11.974 14.678 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -4.282 -13.202 16.952 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -5.853 -12.430 16.874 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -5.187 -15.391 16.573 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -6.515 -14.662 17.455 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -6.824 -15.672 14.898 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -7.819 -14.369 15.515 1.00 0.00 H new ATOM 1367 N CYS A 89 -2.665 -12.892 14.565 1.00 0.00 N ATOM 1368 CA CYS A 89 -1.372 -13.213 13.968 1.00 0.00 C ATOM 1369 C CYS A 89 -0.941 -14.656 14.240 1.00 0.00 C ATOM 1370 O CYS A 89 -0.490 -15.334 13.321 1.00 0.00 O ATOM 1371 CB CYS A 89 -0.308 -12.231 14.480 1.00 0.00 C ATOM 1372 SG CYS A 89 -0.802 -10.509 14.157 1.00 0.00 S ATOM 0 H CYS A 89 -2.651 -12.040 15.125 1.00 0.00 H new ATOM 0 HA CYS A 89 -1.476 -13.115 12.887 1.00 0.00 H new ATOM 0 HB2 CYS A 89 -0.159 -12.376 15.550 1.00 0.00 H new ATOM 0 HB3 CYS A 89 0.646 -12.437 13.994 1.00 0.00 H new ATOM 0 HG CYS A 89 0.236 -9.823 13.782 1.00 0.00 H new ATOM 1378 N SER A 90 -1.119 -15.140 15.471 1.00 0.00 N ATOM 1379 CA SER A 90 -0.671 -16.460 15.897 1.00 0.00 C ATOM 1380 C SER A 90 -1.228 -17.569 15.005 1.00 0.00 C ATOM 1381 O SER A 90 -0.487 -18.425 14.528 1.00 0.00 O ATOM 1382 CB SER A 90 -1.073 -16.648 17.364 1.00 0.00 C ATOM 1383 OG SER A 90 -2.454 -16.351 17.550 1.00 0.00 O ATOM 0 H SER A 90 -1.587 -14.614 16.209 1.00 0.00 H new ATOM 0 HA SER A 90 0.413 -16.527 15.803 1.00 0.00 H new ATOM 0 HB2 SER A 90 -0.872 -17.674 17.673 1.00 0.00 H new ATOM 0 HB3 SER A 90 -0.468 -16.000 17.998 1.00 0.00 H new ATOM 0 HG SER A 90 -2.667 -16.369 18.506 1.00 0.00 H new ATOM 1389 N LYS A 91 -2.534 -17.533 14.733 1.00 0.00 N ATOM 1390 CA LYS A 91 -3.213 -18.525 13.905 1.00 0.00 C ATOM 1391 C LYS A 91 -2.694 -18.495 12.468 1.00 0.00 C ATOM 1392 O LYS A 91 -2.635 -19.545 11.832 1.00 0.00 O ATOM 1393 CB LYS A 91 -4.731 -18.309 13.929 1.00 0.00 C ATOM 1394 CG LYS A 91 -5.399 -18.324 15.317 1.00 0.00 C ATOM 1395 CD LYS A 91 -5.275 -19.643 16.101 1.00 0.00 C ATOM 1396 CE LYS A 91 -3.997 -19.798 16.948 1.00 0.00 C ATOM 1397 NZ LYS A 91 -3.914 -18.825 18.070 1.00 0.00 N ATOM 0 H LYS A 91 -3.155 -16.805 15.087 1.00 0.00 H new ATOM 0 HA LYS A 91 -2.996 -19.508 14.323 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -4.948 -17.352 13.455 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -5.197 -19.081 13.317 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -4.966 -17.523 15.917 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -6.457 -18.094 15.194 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -6.139 -19.736 16.759 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -5.323 -20.471 15.394 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -3.956 -20.810 17.350 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -3.126 -19.675 16.305 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -3.455 -19.276 18.887 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -3.357 -17.999 17.773 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -4.872 -18.519 18.336 1.00 0.00 H new ATOM 1411 N ILE A 92 -2.284 -17.330 11.960 1.00 0.00 N ATOM 1412 CA ILE A 92 -1.705 -17.225 10.626 1.00 0.00 C ATOM 1413 C ILE A 92 -0.379 -17.996 10.612 1.00 0.00 C ATOM 1414 O ILE A 92 -0.171 -18.817 9.719 1.00 0.00 O ATOM 1415 CB ILE A 92 -1.536 -15.746 10.200 1.00 0.00 C ATOM 1416 CG1 ILE A 92 -2.856 -14.954 10.359 1.00 0.00 C ATOM 1417 CG2 ILE A 92 -1.026 -15.684 8.750 1.00 0.00 C ATOM 1418 CD1 ILE A 92 -2.690 -13.452 10.128 1.00 0.00 C ATOM 0 H ILE A 92 -2.345 -16.443 12.459 1.00 0.00 H new ATOM 0 HA ILE A 92 -2.377 -17.668 9.891 1.00 0.00 H new ATOM 0 HB ILE A 92 -0.803 -15.277 10.857 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -3.593 -15.344 9.656 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -3.253 -15.119 11.361 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -0.907 -14.643 8.450 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -0.065 -16.194 8.680 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -1.744 -16.172 8.091 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -3.652 -12.956 10.255 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -1.977 -13.050 10.848 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -2.322 -13.278 9.117 1.00 0.00 H new ATOM 1430 N ILE A 93 0.493 -17.791 11.609 1.00 0.00 N ATOM 1431 CA ILE A 93 1.757 -18.518 11.713 1.00 0.00 C ATOM 1432 C ILE A 93 1.486 -20.018 11.848 1.00 0.00 C ATOM 1433 O ILE A 93 2.115 -20.820 11.162 1.00 0.00 O ATOM 1434 CB ILE A 93 2.602 -18.020 12.911 1.00 0.00 C ATOM 1435 CG1 ILE A 93 2.742 -16.492 13.014 1.00 0.00 C ATOM 1436 CG2 ILE A 93 3.997 -18.649 12.856 1.00 0.00 C ATOM 1437 CD1 ILE A 93 3.256 -15.798 11.751 1.00 0.00 C ATOM 0 H ILE A 93 0.339 -17.119 12.361 1.00 0.00 H new ATOM 0 HA ILE A 93 2.328 -18.332 10.803 1.00 0.00 H new ATOM 0 HB ILE A 93 2.055 -18.333 13.801 1.00 0.00 H new ATOM 0 HG12 ILE A 93 1.770 -16.071 13.271 1.00 0.00 H new ATOM 0 HG13 ILE A 93 3.418 -16.260 13.837 1.00 0.00 H new ATOM 0 HG21 ILE A 93 4.589 -18.296 13.701 1.00 0.00 H new ATOM 0 HG22 ILE A 93 3.909 -19.734 12.903 1.00 0.00 H new ATOM 0 HG23 ILE A 93 4.488 -18.365 11.925 1.00 0.00 H new ATOM 0 HD11 ILE A 93 3.319 -14.724 11.926 1.00 0.00 H new ATOM 0 HD12 ILE A 93 4.244 -16.184 11.501 1.00 0.00 H new ATOM 0 HD13 ILE A 93 2.571 -15.991 10.925 1.00 0.00 H new ATOM 1449 N GLN A 94 0.539 -20.390 12.710 1.00 0.00 N ATOM 1450 CA GLN A 94 0.155 -21.775 12.946 1.00 0.00 C ATOM 1451 C GLN A 94 -0.226 -22.438 11.625 1.00 0.00 C ATOM 1452 O GLN A 94 0.299 -23.503 11.299 1.00 0.00 O ATOM 1453 CB GLN A 94 -1.023 -21.838 13.936 1.00 0.00 C ATOM 1454 CG GLN A 94 -0.619 -21.678 15.409 1.00 0.00 C ATOM 1455 CD GLN A 94 0.290 -22.808 15.900 1.00 0.00 C ATOM 1456 OE1 GLN A 94 1.385 -22.574 16.403 1.00 0.00 O ATOM 1457 NE2 GLN A 94 -0.127 -24.058 15.755 1.00 0.00 N ATOM 0 H GLN A 94 0.010 -19.723 13.272 1.00 0.00 H new ATOM 0 HA GLN A 94 1.000 -22.310 13.379 1.00 0.00 H new ATOM 0 HB2 GLN A 94 -1.739 -21.057 13.681 1.00 0.00 H new ATOM 0 HB3 GLN A 94 -1.535 -22.792 13.813 1.00 0.00 H new ATOM 0 HG2 GLN A 94 -0.108 -20.724 15.540 1.00 0.00 H new ATOM 0 HG3 GLN A 94 -1.517 -21.646 16.026 1.00 0.00 H new ATOM 0 HE21 GLN A 94 -1.038 -24.246 15.336 1.00 0.00 H new ATOM 0 HE22 GLN A 94 0.463 -24.831 16.062 1.00 0.00 H new ATOM 1466 N ARG A 95 -1.093 -21.793 10.839 1.00 0.00 N ATOM 1467 CA ARG A 95 -1.467 -22.306 9.525 1.00 0.00 C ATOM 1468 C ARG A 95 -0.227 -22.415 8.645 1.00 0.00 C ATOM 1469 O ARG A 95 0.031 -23.483 8.093 1.00 0.00 O ATOM 1470 CB ARG A 95 -2.516 -21.393 8.863 1.00 0.00 C ATOM 1471 CG ARG A 95 -3.961 -21.645 9.313 1.00 0.00 C ATOM 1472 CD ARG A 95 -4.464 -23.016 8.828 1.00 0.00 C ATOM 1473 NE ARG A 95 -5.933 -23.070 8.714 1.00 0.00 N ATOM 1474 CZ ARG A 95 -6.655 -22.614 7.679 1.00 0.00 C ATOM 1475 NH1 ARG A 95 -6.077 -21.975 6.666 1.00 0.00 N ATOM 1476 NH2 ARG A 95 -7.971 -22.786 7.649 1.00 0.00 N ATOM 0 H ARG A 95 -1.547 -20.915 11.093 1.00 0.00 H new ATOM 0 HA ARG A 95 -1.908 -23.296 9.646 1.00 0.00 H new ATOM 0 HB2 ARG A 95 -2.260 -20.355 9.075 1.00 0.00 H new ATOM 0 HB3 ARG A 95 -2.459 -21.521 7.782 1.00 0.00 H new ATOM 0 HG2 ARG A 95 -4.020 -21.597 10.400 1.00 0.00 H new ATOM 0 HG3 ARG A 95 -4.608 -20.859 8.924 1.00 0.00 H new ATOM 0 HD2 ARG A 95 -4.019 -23.241 7.859 1.00 0.00 H new ATOM 0 HD3 ARG A 95 -4.128 -23.788 9.520 1.00 0.00 H new ATOM 0 HE ARG A 95 -6.445 -23.491 9.489 1.00 0.00 H new ATOM 0 HH11 ARG A 95 -5.068 -21.824 6.667 1.00 0.00 H new ATOM 0 HH12 ARG A 95 -6.642 -21.636 5.888 1.00 0.00 H new ATOM 0 HH21 ARG A 95 -8.440 -23.268 8.416 1.00 0.00 H new ATOM 0 HH22 ARG A 95 -8.513 -22.437 6.859 1.00 0.00 H new ATOM 1490 N ALA A 96 0.545 -21.332 8.529 1.00 0.00 N ATOM 1491 CA ALA A 96 1.681 -21.262 7.630 1.00 0.00 C ATOM 1492 C ALA A 96 2.621 -22.439 7.878 1.00 0.00 C ATOM 1493 O ALA A 96 2.934 -23.194 6.961 1.00 0.00 O ATOM 1494 CB ALA A 96 2.394 -19.914 7.809 1.00 0.00 C ATOM 0 H ALA A 96 0.392 -20.477 9.064 1.00 0.00 H new ATOM 0 HA ALA A 96 1.340 -21.329 6.597 1.00 0.00 H new ATOM 0 HB1 ALA A 96 3.248 -19.861 7.133 1.00 0.00 H new ATOM 0 HB2 ALA A 96 1.702 -19.103 7.583 1.00 0.00 H new ATOM 0 HB3 ALA A 96 2.740 -19.819 8.838 1.00 0.00 H new ATOM 1500 N GLU A 97 3.019 -22.634 9.131 1.00 0.00 N ATOM 1501 CA GLU A 97 4.060 -23.583 9.491 1.00 0.00 C ATOM 1502 C GLU A 97 3.533 -25.021 9.567 1.00 0.00 C ATOM 1503 O GLU A 97 4.340 -25.949 9.518 1.00 0.00 O ATOM 1504 CB GLU A 97 4.753 -23.151 10.791 1.00 0.00 C ATOM 1505 CG GLU A 97 5.468 -21.797 10.625 1.00 0.00 C ATOM 1506 CD GLU A 97 6.502 -21.535 11.733 1.00 0.00 C ATOM 1507 OE1 GLU A 97 6.167 -21.618 12.938 1.00 0.00 O ATOM 1508 OE2 GLU A 97 7.672 -21.242 11.396 1.00 0.00 O ATOM 0 H GLU A 97 2.625 -22.134 9.928 1.00 0.00 H new ATOM 0 HA GLU A 97 4.806 -23.579 8.696 1.00 0.00 H new ATOM 0 HB2 GLU A 97 4.016 -23.079 11.591 1.00 0.00 H new ATOM 0 HB3 GLU A 97 5.475 -23.911 11.090 1.00 0.00 H new ATOM 0 HG2 GLU A 97 5.965 -21.769 9.655 1.00 0.00 H new ATOM 0 HG3 GLU A 97 4.728 -20.997 10.627 1.00 0.00 H new ATOM 1515 N GLU A 98 2.212 -25.244 9.628 1.00 0.00 N ATOM 1516 CA GLU A 98 1.652 -26.578 9.469 1.00 0.00 C ATOM 1517 C GLU A 98 1.798 -27.013 8.011 1.00 0.00 C ATOM 1518 O GLU A 98 1.955 -28.201 7.718 1.00 0.00 O ATOM 1519 CB GLU A 98 0.165 -26.582 9.864 1.00 0.00 C ATOM 1520 CG GLU A 98 -0.069 -26.747 11.372 1.00 0.00 C ATOM 1521 CD GLU A 98 0.251 -28.170 11.865 1.00 0.00 C ATOM 1522 OE1 GLU A 98 -0.624 -29.062 11.773 1.00 0.00 O ATOM 1523 OE2 GLU A 98 1.370 -28.411 12.372 1.00 0.00 O ATOM 0 H GLU A 98 1.519 -24.513 9.787 1.00 0.00 H new ATOM 0 HA GLU A 98 2.188 -27.272 10.117 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -0.293 -25.650 9.534 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -0.341 -27.390 9.336 1.00 0.00 H new ATOM 0 HG2 GLU A 98 0.549 -26.031 11.913 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -1.108 -26.510 11.603 1.00 0.00 H new ATOM 1530 N LEU A 99 1.735 -26.046 7.092 1.00 0.00 N ATOM 1531 CA LEU A 99 1.632 -26.302 5.666 1.00 0.00 C ATOM 1532 C LEU A 99 3.000 -26.310 4.984 1.00 0.00 C ATOM 1533 O LEU A 99 3.104 -26.881 3.904 1.00 0.00 O ATOM 1534 CB LEU A 99 0.669 -25.277 5.044 1.00 0.00 C ATOM 1535 CG LEU A 99 -0.756 -25.373 5.639 1.00 0.00 C ATOM 1536 CD1 LEU A 99 -1.591 -24.170 5.203 1.00 0.00 C ATOM 1537 CD2 LEU A 99 -1.486 -26.658 5.230 1.00 0.00 C ATOM 0 H LEU A 99 1.755 -25.054 7.327 1.00 0.00 H new ATOM 0 HA LEU A 99 1.227 -27.302 5.509 1.00 0.00 H new ATOM 0 HB2 LEU A 99 1.060 -24.272 5.203 1.00 0.00 H new ATOM 0 HB3 LEU A 99 0.622 -25.434 3.966 1.00 0.00 H new ATOM 0 HG LEU A 99 -0.639 -25.386 6.723 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -2.592 -24.249 5.628 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -1.119 -23.253 5.554 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -1.659 -24.149 4.115 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -2.480 -26.670 5.677 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -1.576 -26.696 4.144 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -0.922 -27.523 5.578 1.00 0.00 H new ATOM 1549 N VAL A 100 4.053 -25.752 5.593 1.00 0.00 N ATOM 1550 CA VAL A 100 5.428 -25.879 5.101 1.00 0.00 C ATOM 1551 C VAL A 100 5.741 -27.358 4.835 1.00 0.00 C ATOM 1552 O VAL A 100 5.501 -28.218 5.687 1.00 0.00 O ATOM 1553 CB VAL A 100 6.417 -25.243 6.103 1.00 0.00 C ATOM 1554 CG1 VAL A 100 7.893 -25.520 5.768 1.00 0.00 C ATOM 1555 CG2 VAL A 100 6.251 -23.720 6.132 1.00 0.00 C ATOM 0 H VAL A 100 3.974 -25.197 6.445 1.00 0.00 H new ATOM 0 HA VAL A 100 5.537 -25.339 4.160 1.00 0.00 H new ATOM 0 HB VAL A 100 6.178 -25.699 7.064 1.00 0.00 H new ATOM 0 HG11 VAL A 100 8.531 -25.044 6.513 1.00 0.00 H new ATOM 0 HG12 VAL A 100 8.071 -26.595 5.772 1.00 0.00 H new ATOM 0 HG13 VAL A 100 8.124 -25.117 4.782 1.00 0.00 H new ATOM 0 HG21 VAL A 100 6.956 -23.291 6.844 1.00 0.00 H new ATOM 0 HG22 VAL A 100 6.445 -23.314 5.139 1.00 0.00 H new ATOM 0 HG23 VAL A 100 5.234 -23.471 6.434 1.00 0.00 H new ATOM 1565 N GLY A 101 6.285 -27.646 3.649 1.00 0.00 N ATOM 1566 CA GLY A 101 6.681 -28.983 3.240 1.00 0.00 C ATOM 1567 C GLY A 101 5.514 -29.829 2.728 1.00 0.00 C ATOM 1568 O GLY A 101 5.752 -30.963 2.307 1.00 0.00 O ATOM 0 H GLY A 101 6.463 -26.937 2.937 1.00 0.00 H new ATOM 0 HA2 GLY A 101 7.437 -28.907 2.458 1.00 0.00 H new ATOM 0 HA3 GLY A 101 7.146 -29.491 4.085 1.00 0.00 H new ATOM 1572 N GLN A 102 4.273 -29.321 2.746 1.00 0.00 N ATOM 1573 CA GLN A 102 3.150 -30.005 2.121 1.00 0.00 C ATOM 1574 C GLN A 102 3.114 -29.657 0.638 1.00 0.00 C ATOM 1575 O GLN A 102 3.721 -28.684 0.179 1.00 0.00 O ATOM 1576 CB GLN A 102 1.809 -29.683 2.807 1.00 0.00 C ATOM 1577 CG GLN A 102 1.775 -30.311 4.206 1.00 0.00 C ATOM 1578 CD GLN A 102 0.388 -30.278 4.856 1.00 0.00 C ATOM 1579 OE1 GLN A 102 -0.609 -30.679 4.260 1.00 0.00 O ATOM 1580 NE2 GLN A 102 0.280 -29.832 6.099 1.00 0.00 N ATOM 0 H GLN A 102 4.029 -28.436 3.190 1.00 0.00 H new ATOM 0 HA GLN A 102 3.295 -31.079 2.238 1.00 0.00 H new ATOM 0 HB2 GLN A 102 1.678 -28.603 2.880 1.00 0.00 H new ATOM 0 HB3 GLN A 102 0.983 -30.065 2.207 1.00 0.00 H new ATOM 0 HG2 GLN A 102 2.112 -31.345 4.140 1.00 0.00 H new ATOM 0 HG3 GLN A 102 2.482 -29.786 4.849 1.00 0.00 H new ATOM 0 HE21 GLN A 102 1.107 -29.499 6.595 1.00 0.00 H new ATOM 0 HE22 GLN A 102 -0.630 -29.822 6.560 1.00 0.00 H new ATOM 1589 N GLU A 103 2.379 -30.475 -0.104 1.00 0.00 N ATOM 1590 CA GLU A 103 2.263 -30.376 -1.547 1.00 0.00 C ATOM 1591 C GLU A 103 0.910 -29.757 -1.893 1.00 0.00 C ATOM 1592 O GLU A 103 -0.065 -29.924 -1.154 1.00 0.00 O ATOM 1593 CB GLU A 103 2.374 -31.774 -2.183 1.00 0.00 C ATOM 1594 CG GLU A 103 3.695 -32.503 -1.888 1.00 0.00 C ATOM 1595 CD GLU A 103 3.696 -33.922 -2.482 1.00 0.00 C ATOM 1596 OE1 GLU A 103 3.648 -34.064 -3.726 1.00 0.00 O ATOM 1597 OE2 GLU A 103 3.757 -34.910 -1.713 1.00 0.00 O ATOM 0 H GLU A 103 1.836 -31.242 0.293 1.00 0.00 H new ATOM 0 HA GLU A 103 3.067 -29.751 -1.936 1.00 0.00 H new ATOM 0 HB2 GLU A 103 1.547 -32.388 -1.827 1.00 0.00 H new ATOM 0 HB3 GLU A 103 2.259 -31.679 -3.263 1.00 0.00 H new ATOM 0 HG2 GLU A 103 4.527 -31.933 -2.301 1.00 0.00 H new ATOM 0 HG3 GLU A 103 3.850 -32.558 -0.810 1.00 0.00 H new ATOM 1604 N VAL A 104 0.838 -29.097 -3.048 1.00 0.00 N ATOM 1605 CA VAL A 104 -0.398 -28.596 -3.626 1.00 0.00 C ATOM 1606 C VAL A 104 -0.508 -29.053 -5.086 1.00 0.00 C ATOM 1607 O VAL A 104 0.485 -29.169 -5.801 1.00 0.00 O ATOM 1608 CB VAL A 104 -0.472 -27.069 -3.472 1.00 0.00 C ATOM 1609 CG1 VAL A 104 -0.668 -26.644 -2.009 1.00 0.00 C ATOM 1610 CG2 VAL A 104 0.721 -26.308 -4.057 1.00 0.00 C ATOM 0 H VAL A 104 1.659 -28.893 -3.617 1.00 0.00 H new ATOM 0 HA VAL A 104 -1.255 -29.008 -3.093 1.00 0.00 H new ATOM 0 HB VAL A 104 -1.347 -26.794 -4.060 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -0.715 -25.557 -1.949 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -1.597 -27.068 -1.628 1.00 0.00 H new ATOM 0 HG13 VAL A 104 0.168 -27.005 -1.410 1.00 0.00 H new ATOM 0 HG21 VAL A 104 0.582 -25.238 -3.902 1.00 0.00 H new ATOM 0 HG22 VAL A 104 1.637 -26.630 -3.561 1.00 0.00 H new ATOM 0 HG23 VAL A 104 0.795 -26.513 -5.125 1.00 0.00 H new ATOM 1620 N LEU A 105 -1.727 -29.309 -5.558 1.00 0.00 N ATOM 1621 CA LEU A 105 -1.961 -29.969 -6.847 1.00 0.00 C ATOM 1622 C LEU A 105 -2.254 -28.967 -7.970 1.00 0.00 C ATOM 1623 O LEU A 105 -2.889 -29.307 -8.970 1.00 0.00 O ATOM 1624 CB LEU A 105 -3.114 -30.968 -6.691 1.00 0.00 C ATOM 1625 CG LEU A 105 -2.886 -32.095 -5.663 1.00 0.00 C ATOM 1626 CD1 LEU A 105 -4.108 -33.021 -5.636 1.00 0.00 C ATOM 1627 CD2 LEU A 105 -1.628 -32.922 -5.963 1.00 0.00 C ATOM 0 H LEU A 105 -2.583 -29.066 -5.059 1.00 0.00 H new ATOM 0 HA LEU A 105 -1.050 -30.494 -7.135 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -4.011 -30.418 -6.407 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -3.312 -31.421 -7.662 1.00 0.00 H new ATOM 0 HG LEU A 105 -2.742 -31.621 -4.692 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -3.945 -33.817 -4.909 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -4.992 -32.449 -5.356 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -4.256 -33.457 -6.624 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -1.516 -33.701 -5.209 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -1.720 -33.381 -6.947 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -0.753 -32.272 -5.946 1.00 0.00 H new ATOM 1639 N TYR A 106 -1.809 -27.727 -7.792 1.00 0.00 N ATOM 1640 CA TYR A 106 -1.915 -26.652 -8.769 1.00 0.00 C ATOM 1641 C TYR A 106 -0.538 -26.053 -9.058 1.00 0.00 C ATOM 1642 O TYR A 106 0.361 -26.077 -8.217 1.00 0.00 O ATOM 1643 CB TYR A 106 -2.925 -25.596 -8.288 1.00 0.00 C ATOM 1644 CG TYR A 106 -2.703 -25.037 -6.890 1.00 0.00 C ATOM 1645 CD1 TYR A 106 -1.658 -24.127 -6.636 1.00 0.00 C ATOM 1646 CD2 TYR A 106 -3.570 -25.409 -5.841 1.00 0.00 C ATOM 1647 CE1 TYR A 106 -1.483 -23.587 -5.350 1.00 0.00 C ATOM 1648 CE2 TYR A 106 -3.407 -24.865 -4.555 1.00 0.00 C ATOM 1649 CZ TYR A 106 -2.362 -23.946 -4.303 1.00 0.00 C ATOM 1650 OH TYR A 106 -2.193 -23.403 -3.065 1.00 0.00 O ATOM 0 H TYR A 106 -1.348 -27.434 -6.931 1.00 0.00 H new ATOM 0 HA TYR A 106 -2.290 -27.055 -9.710 1.00 0.00 H new ATOM 0 HB2 TYR A 106 -2.914 -24.766 -8.994 1.00 0.00 H new ATOM 0 HB3 TYR A 106 -3.922 -26.034 -8.327 1.00 0.00 H new ATOM 0 HD1 TYR A 106 -0.988 -23.843 -7.434 1.00 0.00 H new ATOM 0 HD2 TYR A 106 -4.364 -26.117 -6.027 1.00 0.00 H new ATOM 0 HE1 TYR A 106 -0.675 -22.896 -5.161 1.00 0.00 H new ATOM 0 HE2 TYR A 106 -4.080 -25.149 -3.759 1.00 0.00 H new ATOM 0 HH TYR A 106 -2.879 -23.751 -2.459 1.00 0.00 H new ATOM 1660 N LYS A 107 -0.381 -25.529 -10.275 1.00 0.00 N ATOM 1661 CA LYS A 107 0.808 -24.913 -10.820 1.00 0.00 C ATOM 1662 C LYS A 107 1.170 -23.616 -10.095 1.00 0.00 C ATOM 1663 O LYS A 107 0.312 -22.987 -9.470 1.00 0.00 O ATOM 1664 CB LYS A 107 0.424 -24.575 -12.275 1.00 0.00 C ATOM 1665 CG LYS A 107 1.615 -24.518 -13.221 1.00 0.00 C ATOM 1666 CD LYS A 107 1.277 -23.932 -14.600 1.00 0.00 C ATOM 1667 CE LYS A 107 0.256 -24.789 -15.365 1.00 0.00 C ATOM 1668 NZ LYS A 107 -0.053 -24.234 -16.707 1.00 0.00 N ATOM 0 H LYS A 107 -1.147 -25.530 -10.949 1.00 0.00 H new ATOM 0 HA LYS A 107 1.669 -25.574 -10.725 1.00 0.00 H new ATOM 0 HB2 LYS A 107 -0.283 -25.321 -12.638 1.00 0.00 H new ATOM 0 HB3 LYS A 107 -0.090 -23.614 -12.293 1.00 0.00 H new ATOM 0 HG2 LYS A 107 2.403 -23.919 -12.764 1.00 0.00 H new ATOM 0 HG3 LYS A 107 2.014 -25.524 -13.351 1.00 0.00 H new ATOM 0 HD2 LYS A 107 0.881 -22.924 -14.477 1.00 0.00 H new ATOM 0 HD3 LYS A 107 2.190 -23.846 -15.189 1.00 0.00 H new ATOM 0 HE2 LYS A 107 0.644 -25.802 -15.474 1.00 0.00 H new ATOM 0 HE3 LYS A 107 -0.663 -24.861 -14.783 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 -0.745 -24.846 -17.185 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 -0.448 -23.278 -16.604 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 0.818 -24.190 -17.273 1.00 0.00 H new ATOM 1682 N LEU A 108 2.411 -23.154 -10.258 1.00 0.00 N ATOM 1683 CA LEU A 108 2.789 -21.803 -9.855 1.00 0.00 C ATOM 1684 C LEU A 108 2.105 -20.817 -10.797 1.00 0.00 C ATOM 1685 O LEU A 108 2.290 -20.902 -12.012 1.00 0.00 O ATOM 1686 CB LEU A 108 4.321 -21.596 -9.929 1.00 0.00 C ATOM 1687 CG LEU A 108 5.047 -21.610 -8.576 1.00 0.00 C ATOM 1688 CD1 LEU A 108 4.635 -20.442 -7.675 1.00 0.00 C ATOM 1689 CD2 LEU A 108 4.801 -22.930 -7.853 1.00 0.00 C ATOM 0 H LEU A 108 3.171 -23.698 -10.667 1.00 0.00 H new ATOM 0 HA LEU A 108 2.479 -21.643 -8.822 1.00 0.00 H new ATOM 0 HB2 LEU A 108 4.747 -22.376 -10.560 1.00 0.00 H new ATOM 0 HB3 LEU A 108 4.520 -20.644 -10.421 1.00 0.00 H new ATOM 0 HG LEU A 108 6.110 -21.500 -8.789 1.00 0.00 H new ATOM 0 HD11 LEU A 108 5.178 -20.501 -6.732 1.00 0.00 H new ATOM 0 HD12 LEU A 108 4.869 -19.500 -8.171 1.00 0.00 H new ATOM 0 HD13 LEU A 108 3.564 -20.493 -7.480 1.00 0.00 H new ATOM 0 HD21 LEU A 108 5.323 -22.923 -6.896 1.00 0.00 H new ATOM 0 HD22 LEU A 108 3.732 -23.058 -7.683 1.00 0.00 H new ATOM 0 HD23 LEU A 108 5.172 -23.754 -8.463 1.00 0.00 H new ATOM 1701 N THR A 109 1.370 -19.864 -10.233 1.00 0.00 N ATOM 1702 CA THR A 109 0.851 -18.688 -10.918 1.00 0.00 C ATOM 1703 C THR A 109 0.852 -17.566 -9.877 1.00 0.00 C ATOM 1704 O THR A 109 0.783 -17.833 -8.670 1.00 0.00 O ATOM 1705 CB THR A 109 -0.566 -18.908 -11.498 1.00 0.00 C ATOM 1706 OG1 THR A 109 -1.498 -19.185 -10.475 1.00 0.00 O ATOM 1707 CG2 THR A 109 -0.654 -20.033 -12.533 1.00 0.00 C ATOM 0 H THR A 109 1.110 -19.892 -9.247 1.00 0.00 H new ATOM 0 HA THR A 109 1.473 -18.447 -11.780 1.00 0.00 H new ATOM 0 HB THR A 109 -0.802 -17.971 -12.002 1.00 0.00 H new ATOM 0 HG1 THR A 109 -2.386 -19.318 -10.868 1.00 0.00 H new ATOM 0 HG21 THR A 109 -1.681 -20.121 -12.889 1.00 0.00 H new ATOM 0 HG22 THR A 109 0.003 -19.807 -13.373 1.00 0.00 H new ATOM 0 HG23 THR A 109 -0.347 -20.973 -12.075 1.00 0.00 H new ATOM 1715 N SER A 110 0.888 -16.313 -10.331 1.00 0.00 N ATOM 1716 CA SER A 110 0.777 -15.141 -9.474 1.00 0.00 C ATOM 1717 C SER A 110 -0.489 -15.229 -8.607 1.00 0.00 C ATOM 1718 O SER A 110 -0.452 -14.961 -7.404 1.00 0.00 O ATOM 1719 CB SER A 110 0.746 -13.899 -10.377 1.00 0.00 C ATOM 1720 OG SER A 110 1.674 -14.006 -11.451 1.00 0.00 O ATOM 0 H SER A 110 0.997 -16.085 -11.319 1.00 0.00 H new ATOM 0 HA SER A 110 1.628 -15.082 -8.795 1.00 0.00 H new ATOM 0 HB2 SER A 110 -0.259 -13.765 -10.777 1.00 0.00 H new ATOM 0 HB3 SER A 110 0.975 -13.013 -9.785 1.00 0.00 H new ATOM 0 HG SER A 110 1.626 -13.200 -12.006 1.00 0.00 H new ATOM 1726 N GLU A 111 -1.600 -15.659 -9.218 1.00 0.00 N ATOM 1727 CA GLU A 111 -2.890 -15.797 -8.560 1.00 0.00 C ATOM 1728 C GLU A 111 -2.861 -16.925 -7.530 1.00 0.00 C ATOM 1729 O GLU A 111 -3.415 -16.755 -6.447 1.00 0.00 O ATOM 1730 CB GLU A 111 -3.966 -16.033 -9.632 1.00 0.00 C ATOM 1731 CG GLU A 111 -5.383 -16.044 -9.044 1.00 0.00 C ATOM 1732 CD GLU A 111 -6.450 -16.162 -10.148 1.00 0.00 C ATOM 1733 OE1 GLU A 111 -6.827 -17.296 -10.521 1.00 0.00 O ATOM 1734 OE2 GLU A 111 -6.940 -15.121 -10.643 1.00 0.00 O ATOM 0 H GLU A 111 -1.620 -15.924 -10.203 1.00 0.00 H new ATOM 0 HA GLU A 111 -3.126 -14.883 -8.015 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -3.896 -15.254 -10.391 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -3.775 -16.983 -10.132 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -5.483 -16.877 -8.349 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -5.548 -15.131 -8.473 1.00 0.00 H new ATOM 1741 N ASN A 112 -2.209 -18.058 -7.816 1.00 0.00 N ATOM 1742 CA ASN A 112 -2.173 -19.170 -6.869 1.00 0.00 C ATOM 1743 C ASN A 112 -1.352 -18.809 -5.636 1.00 0.00 C ATOM 1744 O ASN A 112 -1.727 -19.223 -4.539 1.00 0.00 O ATOM 1745 CB ASN A 112 -1.660 -20.468 -7.514 1.00 0.00 C ATOM 1746 CG ASN A 112 -2.730 -21.184 -8.344 1.00 0.00 C ATOM 1747 OD1 ASN A 112 -3.930 -20.996 -8.159 1.00 0.00 O ATOM 1748 ND2 ASN A 112 -2.332 -22.032 -9.276 1.00 0.00 N ATOM 0 H ASN A 112 -1.705 -18.225 -8.687 1.00 0.00 H new ATOM 0 HA ASN A 112 -3.200 -19.356 -6.555 1.00 0.00 H new ATOM 0 HB2 ASN A 112 -0.806 -20.238 -8.151 1.00 0.00 H new ATOM 0 HB3 ASN A 112 -1.303 -21.140 -6.733 1.00 0.00 H new ATOM 0 HD21 ASN A 112 -3.021 -22.529 -9.841 1.00 0.00 H new ATOM 0 HD22 ASN A 112 -1.336 -22.189 -9.431 1.00 0.00 H new ATOM 1755 N CYS A 113 -0.282 -18.015 -5.768 1.00 0.00 N ATOM 1756 CA CYS A 113 0.433 -17.514 -4.598 1.00 0.00 C ATOM 1757 C CYS A 113 -0.465 -16.570 -3.796 1.00 0.00 C ATOM 1758 O CYS A 113 -0.532 -16.690 -2.572 1.00 0.00 O ATOM 1759 CB CYS A 113 1.728 -16.796 -4.998 1.00 0.00 C ATOM 1760 SG CYS A 113 2.784 -17.922 -5.951 1.00 0.00 S ATOM 0 H CYS A 113 0.101 -17.711 -6.663 1.00 0.00 H new ATOM 0 HA CYS A 113 0.701 -18.369 -3.978 1.00 0.00 H new ATOM 0 HB2 CYS A 113 1.496 -15.911 -5.591 1.00 0.00 H new ATOM 0 HB3 CYS A 113 2.255 -16.454 -4.107 1.00 0.00 H new ATOM 0 HG CYS A 113 2.253 -18.130 -7.119 1.00 0.00 H new ATOM 1766 N GLU A 114 -1.161 -15.651 -4.474 1.00 0.00 N ATOM 1767 CA GLU A 114 -2.027 -14.661 -3.835 1.00 0.00 C ATOM 1768 C GLU A 114 -3.143 -15.359 -3.053 1.00 0.00 C ATOM 1769 O GLU A 114 -3.405 -15.035 -1.890 1.00 0.00 O ATOM 1770 CB GLU A 114 -2.595 -13.728 -4.921 1.00 0.00 C ATOM 1771 CG GLU A 114 -3.210 -12.452 -4.331 1.00 0.00 C ATOM 1772 CD GLU A 114 -3.457 -11.378 -5.405 1.00 0.00 C ATOM 1773 OE1 GLU A 114 -2.511 -10.997 -6.139 1.00 0.00 O ATOM 1774 OE2 GLU A 114 -4.605 -10.891 -5.504 1.00 0.00 O ATOM 0 H GLU A 114 -1.137 -15.575 -5.491 1.00 0.00 H new ATOM 0 HA GLU A 114 -1.456 -14.066 -3.122 1.00 0.00 H new ATOM 0 HB2 GLU A 114 -1.800 -13.457 -5.616 1.00 0.00 H new ATOM 0 HB3 GLU A 114 -3.352 -14.262 -5.495 1.00 0.00 H new ATOM 0 HG2 GLU A 114 -4.152 -12.697 -3.841 1.00 0.00 H new ATOM 0 HG3 GLU A 114 -2.547 -12.051 -3.564 1.00 0.00 H new ATOM 1781 N HIS A 115 -3.757 -16.360 -3.684 1.00 0.00 N ATOM 1782 CA HIS A 115 -4.764 -17.223 -3.098 1.00 0.00 C ATOM 1783 C HIS A 115 -4.179 -17.904 -1.867 1.00 0.00 C ATOM 1784 O HIS A 115 -4.727 -17.758 -0.779 1.00 0.00 O ATOM 1785 CB HIS A 115 -5.232 -18.237 -4.157 1.00 0.00 C ATOM 1786 CG HIS A 115 -6.225 -19.248 -3.638 1.00 0.00 C ATOM 1787 ND1 HIS A 115 -7.610 -19.205 -3.830 1.00 0.00 N ATOM 1788 CD2 HIS A 115 -5.918 -20.341 -2.879 1.00 0.00 C ATOM 1789 CE1 HIS A 115 -8.102 -20.261 -3.157 1.00 0.00 C ATOM 1790 NE2 HIS A 115 -7.110 -20.952 -2.570 1.00 0.00 N ATOM 0 H HIS A 115 -3.553 -16.595 -4.655 1.00 0.00 H new ATOM 0 HA HIS A 115 -5.634 -16.649 -2.779 1.00 0.00 H new ATOM 0 HB2 HIS A 115 -5.681 -17.696 -4.990 1.00 0.00 H new ATOM 0 HB3 HIS A 115 -4.363 -18.764 -4.550 1.00 0.00 H new ATOM 0 HD2 HIS A 115 -4.931 -20.663 -2.580 1.00 0.00 H new ATOM 0 HE1 HIS A 115 -9.149 -20.518 -3.097 1.00 0.00 H new ATOM 0 HE2 HIS A 115 -7.222 -21.786 -1.994 1.00 0.00 H new ATOM 1798 N PHE A 116 -3.047 -18.602 -2.016 1.00 0.00 N ATOM 1799 CA PHE A 116 -2.461 -19.395 -0.946 1.00 0.00 C ATOM 1800 C PHE A 116 -2.227 -18.559 0.305 1.00 0.00 C ATOM 1801 O PHE A 116 -2.662 -18.955 1.385 1.00 0.00 O ATOM 1802 CB PHE A 116 -1.156 -20.060 -1.422 1.00 0.00 C ATOM 1803 CG PHE A 116 -0.298 -20.585 -0.283 1.00 0.00 C ATOM 1804 CD1 PHE A 116 -0.598 -21.819 0.325 1.00 0.00 C ATOM 1805 CD2 PHE A 116 0.744 -19.789 0.232 1.00 0.00 C ATOM 1806 CE1 PHE A 116 0.133 -22.245 1.449 1.00 0.00 C ATOM 1807 CE2 PHE A 116 1.452 -20.197 1.376 1.00 0.00 C ATOM 1808 CZ PHE A 116 1.152 -21.431 1.978 1.00 0.00 C ATOM 0 H PHE A 116 -2.516 -18.628 -2.886 1.00 0.00 H new ATOM 0 HA PHE A 116 -3.170 -20.180 -0.682 1.00 0.00 H new ATOM 0 HB2 PHE A 116 -1.400 -20.884 -2.093 1.00 0.00 H new ATOM 0 HB3 PHE A 116 -0.579 -19.338 -2.000 1.00 0.00 H new ATOM 0 HD1 PHE A 116 -1.389 -22.438 -0.071 1.00 0.00 H new ATOM 0 HD2 PHE A 116 1.000 -18.860 -0.255 1.00 0.00 H new ATOM 0 HE1 PHE A 116 -0.088 -23.198 1.907 1.00 0.00 H new ATOM 0 HE2 PHE A 116 2.223 -19.565 1.791 1.00 0.00 H new ATOM 0 HZ PHE A 116 1.704 -21.755 2.848 1.00 0.00 H new ATOM 1818 N VAL A 117 -1.579 -17.400 0.183 1.00 0.00 N ATOM 1819 CA VAL A 117 -1.271 -16.609 1.370 1.00 0.00 C ATOM 1820 C VAL A 117 -2.559 -16.081 2.020 1.00 0.00 C ATOM 1821 O VAL A 117 -2.626 -15.971 3.245 1.00 0.00 O ATOM 1822 CB VAL A 117 -0.235 -15.507 1.085 1.00 0.00 C ATOM 1823 CG1 VAL A 117 1.089 -16.083 0.566 1.00 0.00 C ATOM 1824 CG2 VAL A 117 -0.728 -14.416 0.122 1.00 0.00 C ATOM 0 H VAL A 117 -1.265 -16.998 -0.700 1.00 0.00 H new ATOM 0 HA VAL A 117 -0.794 -17.265 2.099 1.00 0.00 H new ATOM 0 HB VAL A 117 -0.072 -15.034 2.053 1.00 0.00 H new ATOM 0 HG11 VAL A 117 1.791 -15.270 0.378 1.00 0.00 H new ATOM 0 HG12 VAL A 117 1.508 -16.759 1.311 1.00 0.00 H new ATOM 0 HG13 VAL A 117 0.910 -16.629 -0.360 1.00 0.00 H new ATOM 0 HG21 VAL A 117 0.060 -13.678 -0.026 1.00 0.00 H new ATOM 0 HG22 VAL A 117 -0.988 -14.867 -0.836 1.00 0.00 H new ATOM 0 HG23 VAL A 117 -1.607 -13.928 0.544 1.00 0.00 H new ATOM 1834 N ASN A 118 -3.609 -15.809 1.234 1.00 0.00 N ATOM 1835 CA ASN A 118 -4.891 -15.384 1.786 1.00 0.00 C ATOM 1836 C ASN A 118 -5.598 -16.526 2.513 1.00 0.00 C ATOM 1837 O ASN A 118 -6.306 -16.263 3.485 1.00 0.00 O ATOM 1838 CB ASN A 118 -5.790 -14.752 0.714 1.00 0.00 C ATOM 1839 CG ASN A 118 -5.450 -13.277 0.543 1.00 0.00 C ATOM 1840 OD1 ASN A 118 -6.025 -12.417 1.203 1.00 0.00 O ATOM 1841 ND2 ASN A 118 -4.483 -12.951 -0.298 1.00 0.00 N ATOM 0 H ASN A 118 -3.591 -15.877 0.216 1.00 0.00 H new ATOM 0 HA ASN A 118 -4.682 -14.611 2.526 1.00 0.00 H new ATOM 0 HB2 ASN A 118 -5.660 -15.275 -0.234 1.00 0.00 H new ATOM 0 HB3 ASN A 118 -6.837 -14.861 0.997 1.00 0.00 H new ATOM 0 HD21 ASN A 118 -4.207 -11.975 -0.404 1.00 0.00 H new ATOM 0 HD22 ASN A 118 -4.013 -13.676 -0.841 1.00 0.00 H new ATOM 1848 N GLU A 119 -5.365 -17.788 2.137 1.00 0.00 N ATOM 1849 CA GLU A 119 -5.851 -18.922 2.926 1.00 0.00 C ATOM 1850 C GLU A 119 -5.262 -18.889 4.337 1.00 0.00 C ATOM 1851 O GLU A 119 -5.919 -19.323 5.276 1.00 0.00 O ATOM 1852 CB GLU A 119 -5.563 -20.296 2.289 1.00 0.00 C ATOM 1853 CG GLU A 119 -6.158 -20.500 0.889 1.00 0.00 C ATOM 1854 CD GLU A 119 -6.020 -21.948 0.378 1.00 0.00 C ATOM 1855 OE1 GLU A 119 -4.932 -22.555 0.495 1.00 0.00 O ATOM 1856 OE2 GLU A 119 -7.007 -22.478 -0.184 1.00 0.00 O ATOM 0 H GLU A 119 -4.847 -18.048 1.298 1.00 0.00 H new ATOM 0 HA GLU A 119 -6.934 -18.808 2.961 1.00 0.00 H new ATOM 0 HB2 GLU A 119 -4.483 -20.434 2.232 1.00 0.00 H new ATOM 0 HB3 GLU A 119 -5.949 -21.073 2.948 1.00 0.00 H new ATOM 0 HG2 GLU A 119 -7.213 -20.226 0.906 1.00 0.00 H new ATOM 0 HG3 GLU A 119 -5.664 -19.826 0.189 1.00 0.00 H new ATOM 1863 N LEU A 120 -4.051 -18.355 4.513 1.00 0.00 N ATOM 1864 CA LEU A 120 -3.405 -18.264 5.813 1.00 0.00 C ATOM 1865 C LEU A 120 -3.924 -17.045 6.570 1.00 0.00 C ATOM 1866 O LEU A 120 -4.277 -17.159 7.741 1.00 0.00 O ATOM 1867 CB LEU A 120 -1.878 -18.167 5.668 1.00 0.00 C ATOM 1868 CG LEU A 120 -1.248 -19.174 4.693 1.00 0.00 C ATOM 1869 CD1 LEU A 120 0.258 -18.935 4.609 1.00 0.00 C ATOM 1870 CD2 LEU A 120 -1.503 -20.627 5.090 1.00 0.00 C ATOM 0 H LEU A 120 -3.493 -17.973 3.750 1.00 0.00 H new ATOM 0 HA LEU A 120 -3.642 -19.170 6.371 1.00 0.00 H new ATOM 0 HB2 LEU A 120 -1.624 -17.159 5.339 1.00 0.00 H new ATOM 0 HB3 LEU A 120 -1.426 -18.305 6.650 1.00 0.00 H new ATOM 0 HG LEU A 120 -1.721 -19.013 3.724 1.00 0.00 H new ATOM 0 HD11 LEU A 120 0.702 -19.651 3.917 1.00 0.00 H new ATOM 0 HD12 LEU A 120 0.446 -17.922 4.254 1.00 0.00 H new ATOM 0 HD13 LEU A 120 0.702 -19.062 5.596 1.00 0.00 H new ATOM 0 HD21 LEU A 120 -1.034 -21.290 4.364 1.00 0.00 H new ATOM 0 HD22 LEU A 120 -1.081 -20.814 6.078 1.00 0.00 H new ATOM 0 HD23 LEU A 120 -2.576 -20.815 5.113 1.00 0.00 H new ATOM 1882 N ARG A 121 -3.977 -15.877 5.913 1.00 0.00 N ATOM 1883 CA ARG A 121 -4.415 -14.629 6.543 1.00 0.00 C ATOM 1884 C ARG A 121 -5.891 -14.668 6.945 1.00 0.00 C ATOM 1885 O ARG A 121 -6.264 -13.959 7.879 1.00 0.00 O ATOM 1886 CB ARG A 121 -4.114 -13.434 5.612 1.00 0.00 C ATOM 1887 CG ARG A 121 -3.137 -12.416 6.227 1.00 0.00 C ATOM 1888 CD ARG A 121 -3.795 -11.510 7.275 1.00 0.00 C ATOM 1889 NE ARG A 121 -2.820 -10.581 7.885 1.00 0.00 N ATOM 1890 CZ ARG A 121 -3.090 -9.338 8.316 1.00 0.00 C ATOM 1891 NH1 ARG A 121 -4.309 -8.827 8.187 1.00 0.00 N ATOM 1892 NH2 ARG A 121 -2.158 -8.580 8.881 1.00 0.00 N ATOM 0 H ARG A 121 -3.717 -15.774 4.932 1.00 0.00 H new ATOM 0 HA ARG A 121 -3.850 -14.505 7.467 1.00 0.00 H new ATOM 0 HB2 ARG A 121 -3.698 -13.807 4.676 1.00 0.00 H new ATOM 0 HB3 ARG A 121 -5.048 -12.929 5.367 1.00 0.00 H new ATOM 0 HG2 ARG A 121 -2.306 -12.951 6.688 1.00 0.00 H new ATOM 0 HG3 ARG A 121 -2.717 -11.798 5.433 1.00 0.00 H new ATOM 0 HD2 ARG A 121 -4.599 -10.940 6.810 1.00 0.00 H new ATOM 0 HD3 ARG A 121 -4.249 -12.124 8.053 1.00 0.00 H new ATOM 0 HE ARG A 121 -1.861 -10.912 7.987 1.00 0.00 H new ATOM 0 HH11 ARG A 121 -5.051 -9.380 7.757 1.00 0.00 H new ATOM 0 HH12 ARG A 121 -4.503 -7.882 8.518 1.00 0.00 H new ATOM 0 HH21 ARG A 121 -1.210 -8.938 8.996 1.00 0.00 H new ATOM 0 HH22 ARG A 121 -2.390 -7.639 9.200 1.00 0.00 H new ATOM 1906 N TYR A 122 -6.721 -15.473 6.271 1.00 0.00 N ATOM 1907 CA TYR A 122 -8.173 -15.453 6.468 1.00 0.00 C ATOM 1908 C TYR A 122 -8.725 -16.799 6.946 1.00 0.00 C ATOM 1909 O TYR A 122 -9.687 -16.822 7.711 1.00 0.00 O ATOM 1910 CB TYR A 122 -8.858 -15.007 5.164 1.00 0.00 C ATOM 1911 CG TYR A 122 -10.331 -14.654 5.306 1.00 0.00 C ATOM 1912 CD1 TYR A 122 -11.316 -15.662 5.305 1.00 0.00 C ATOM 1913 CD2 TYR A 122 -10.720 -13.307 5.436 1.00 0.00 C ATOM 1914 CE1 TYR A 122 -12.675 -15.338 5.450 1.00 0.00 C ATOM 1915 CE2 TYR A 122 -12.079 -12.975 5.578 1.00 0.00 C ATOM 1916 CZ TYR A 122 -13.065 -13.987 5.591 1.00 0.00 C ATOM 1917 OH TYR A 122 -14.377 -13.646 5.735 1.00 0.00 O ATOM 0 H TYR A 122 -6.406 -16.152 5.578 1.00 0.00 H new ATOM 0 HA TYR A 122 -8.393 -14.739 7.261 1.00 0.00 H new ATOM 0 HB2 TYR A 122 -8.328 -14.140 4.769 1.00 0.00 H new ATOM 0 HB3 TYR A 122 -8.759 -15.804 4.427 1.00 0.00 H new ATOM 0 HD1 TYR A 122 -11.023 -16.695 5.191 1.00 0.00 H new ATOM 0 HD2 TYR A 122 -9.973 -12.527 5.427 1.00 0.00 H new ATOM 0 HE1 TYR A 122 -13.420 -16.120 5.454 1.00 0.00 H new ATOM 0 HE2 TYR A 122 -12.371 -11.940 5.678 1.00 0.00 H new ATOM 0 HH TYR A 122 -14.455 -12.673 5.820 1.00 0.00 H new ATOM 1927 N GLY A 123 -8.140 -17.918 6.514 1.00 0.00 N ATOM 1928 CA GLY A 123 -8.631 -19.269 6.778 1.00 0.00 C ATOM 1929 C GLY A 123 -8.863 -19.999 5.457 1.00 0.00 C ATOM 1930 O GLY A 123 -8.493 -21.165 5.320 1.00 0.00 O ATOM 0 H GLY A 123 -7.287 -17.907 5.955 1.00 0.00 H new ATOM 0 HA2 GLY A 123 -7.910 -19.816 7.385 1.00 0.00 H new ATOM 0 HA3 GLY A 123 -9.559 -19.224 7.348 1.00 0.00 H new ATOM 1934 N VAL A 124 -9.400 -19.289 4.465 1.00 0.00 N ATOM 1935 CA VAL A 124 -9.522 -19.690 3.071 1.00 0.00 C ATOM 1936 C VAL A 124 -9.646 -18.369 2.289 1.00 0.00 C ATOM 1937 O VAL A 124 -10.261 -17.427 2.796 1.00 0.00 O ATOM 1938 CB VAL A 124 -10.714 -20.660 2.892 1.00 0.00 C ATOM 1939 CG1 VAL A 124 -12.076 -20.079 3.307 1.00 0.00 C ATOM 1940 CG2 VAL A 124 -10.789 -21.193 1.455 1.00 0.00 C ATOM 0 H VAL A 124 -9.785 -18.359 4.629 1.00 0.00 H new ATOM 0 HA VAL A 124 -8.667 -20.254 2.699 1.00 0.00 H new ATOM 0 HB VAL A 124 -10.509 -21.481 3.580 1.00 0.00 H new ATOM 0 HG11 VAL A 124 -12.854 -20.826 3.148 1.00 0.00 H new ATOM 0 HG12 VAL A 124 -12.048 -19.803 4.361 1.00 0.00 H new ATOM 0 HG13 VAL A 124 -12.293 -19.196 2.706 1.00 0.00 H new ATOM 0 HG21 VAL A 124 -11.637 -21.872 1.362 1.00 0.00 H new ATOM 0 HG22 VAL A 124 -10.914 -20.359 0.764 1.00 0.00 H new ATOM 0 HG23 VAL A 124 -9.869 -21.727 1.217 1.00 0.00 H new ATOM 1950 N ALA A 125 -9.012 -18.256 1.115 1.00 0.00 N ATOM 1951 CA ALA A 125 -9.095 -17.044 0.309 1.00 0.00 C ATOM 1952 C ALA A 125 -10.548 -16.750 -0.074 1.00 0.00 C ATOM 1953 O ALA A 125 -11.279 -17.692 -0.452 1.00 0.00 O ATOM 1954 CB ALA A 125 -8.226 -17.176 -0.941 1.00 0.00 C ATOM 1955 OXT ALA A 125 -10.943 -15.567 -0.046 1.00 0.00 O ATOM 0 H ALA A 125 -8.437 -18.993 0.707 1.00 0.00 H new ATOM 0 HA ALA A 125 -8.723 -16.209 0.902 1.00 0.00 H new ATOM 0 HB1 ALA A 125 -8.298 -16.263 -1.533 1.00 0.00 H new ATOM 0 HB2 ALA A 125 -7.189 -17.337 -0.648 1.00 0.00 H new ATOM 0 HB3 ALA A 125 -8.570 -18.022 -1.536 1.00 0.00 H new