USER MOD reduce.3.24.130724 H: found=0, std=0, add=967, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 965 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 48 ASN : amide:sc= -4.17! C(o=-5.8!,f=-7.7!) USER MOD Set 1.2: A 50 SER OG : rot 146:sc= 0.453 USER MOD Set 1.3: A 111 HIS : no HE2:sc= -2.05! K(o=-5.8!,f=-6.9) USER MOD Single : A 17 LYS NZ :NH3+ -131:sc= -1.01 (180deg=-3.36!) USER MOD Single : A 25 GLN : amide:sc=-0.00241 X(o=-0.0024,f=-0.41) USER MOD Single : A 27 ASN : amide:sc= -0.0493 X(o=-0.049,f=0) USER MOD Single : A 29 SER OG : rot 5:sc= -0.121 USER MOD Single : A 36 ASN : amide:sc= -0.0926 K(o=-0.093,f=-1.3) USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 59 CYS SG : rot 150:sc= -0.73 USER MOD Single : A 60 GLN : amide:sc= -0.0718 K(o=-0.072,f=-1.6!) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 SER OG : rot 150:sc= 0 USER MOD Single : A 68 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 70 GLN : amide:sc= 0 X(o=0,f=-0.00027) USER MOD Single : A 72 GLN : amide:sc= 0.32 K(o=0.32,f=-6!) USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 77 ASN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 78 THR OG1 : rot -3:sc= 0.26! USER MOD Single : A 88 THR OG1 : rot 36:sc= 0.28 USER MOD Single : A 89 GLN :FLIP amide:sc= -0.528! F(o=-1.1,f=-0.53!) USER MOD Single : A 95 ASN :FLIP amide:sc= -2.85! C(o=-4.6!,f=-2.8!) USER MOD Single : A 97 ASN : amide:sc= -0.103 X(o=-0.1,f=0) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 THR OG1 : rot 48:sc= 0.182 USER MOD Single : A 109 TYR OH : rot 180:sc= -0.0733 USER MOD Single : A 113 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 114 GLN : amide:sc= 0.0462 X(o=0.046,f=-0.089) USER MOD Single : A 115 SER OG : rot 180:sc= 0 USER MOD Single : A 117 GLN : amide:sc= -0.037 X(o=-0.037,f=0) USER MOD Single : A 123 ASN : amide:sc= 0.00222 X(o=0.0022,f=-0.47) USER MOD Single : A 124 ASN : amide:sc= -0.0758 K(o=-0.076,f=-0.96) USER MOD Single : A 129 SER OG : rot -81:sc= 0.692 USER MOD Single : A 131 GLN : amide:sc= -5.92! C(o=-5.9!,f=-7.5!) USER MOD ----------------------------------------------------------------- ATOM 132 N ILE A 13 -0.424 -13.779 8.235 1.00 0.00 N ATOM 133 CA ILE A 13 0.625 -12.842 7.854 1.00 0.00 C ATOM 134 C ILE A 13 0.430 -11.492 8.535 1.00 0.00 C ATOM 135 O ILE A 13 -0.471 -10.723 8.199 1.00 0.00 O ATOM 136 CB ILE A 13 0.667 -12.634 6.328 1.00 0.00 C ATOM 137 CG1 ILE A 13 0.506 -13.972 5.604 1.00 0.00 C ATOM 138 CG2 ILE A 13 1.968 -11.958 5.921 1.00 0.00 C ATOM 139 CD1 ILE A 13 0.073 -13.830 4.162 1.00 0.00 C ATOM 0 HA ILE A 13 1.570 -13.277 8.179 1.00 0.00 H new ATOM 0 HB ILE A 13 -0.161 -11.986 6.042 1.00 0.00 H new ATOM 0 HG12 ILE A 13 1.453 -14.511 5.639 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -0.226 -14.578 6.137 1.00 0.00 H new ATOM 0 HG21 ILE A 13 1.983 -11.818 4.840 1.00 0.00 H new ATOM 0 HG22 ILE A 13 2.044 -10.989 6.414 1.00 0.00 H new ATOM 0 HG23 ILE A 13 2.811 -12.583 6.217 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -0.021 -14.818 3.711 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -0.889 -13.319 4.120 1.00 0.00 H new ATOM 0 HD13 ILE A 13 0.816 -13.251 3.614 1.00 0.00 H new ATOM 151 N PRO A 14 1.296 -11.193 9.515 1.00 0.00 N ATOM 152 CA PRO A 14 1.241 -9.933 10.262 1.00 0.00 C ATOM 153 C PRO A 14 1.642 -8.734 9.409 1.00 0.00 C ATOM 154 O PRO A 14 2.318 -8.884 8.391 1.00 0.00 O ATOM 155 CB PRO A 14 2.252 -10.147 11.392 1.00 0.00 C ATOM 156 CG PRO A 14 3.204 -11.162 10.861 1.00 0.00 C ATOM 157 CD PRO A 14 2.396 -12.061 9.968 1.00 0.00 C ATOM 0 HA PRO A 14 0.232 -9.709 10.609 1.00 0.00 H new ATOM 0 HB2 PRO A 14 2.764 -9.219 11.646 1.00 0.00 H new ATOM 0 HB3 PRO A 14 1.762 -10.500 12.300 1.00 0.00 H new ATOM 0 HG2 PRO A 14 4.013 -10.686 10.306 1.00 0.00 H new ATOM 0 HG3 PRO A 14 3.663 -11.728 11.672 1.00 0.00 H new ATOM 0 HD2 PRO A 14 2.987 -12.431 9.130 1.00 0.00 H new ATOM 0 HD3 PRO A 14 2.024 -12.933 10.506 1.00 0.00 H new ATOM 165 N ASP A 15 1.222 -7.547 9.831 1.00 0.00 N ATOM 166 CA ASP A 15 1.539 -6.322 9.105 1.00 0.00 C ATOM 167 C ASP A 15 3.047 -6.161 8.944 1.00 0.00 C ATOM 168 O ASP A 15 3.828 -6.928 9.508 1.00 0.00 O ATOM 169 CB ASP A 15 0.959 -5.108 9.834 1.00 0.00 C ATOM 170 CG ASP A 15 1.571 -4.909 11.206 1.00 0.00 C ATOM 171 OD1 ASP A 15 1.120 -5.577 12.159 1.00 0.00 O ATOM 172 OD2 ASP A 15 2.502 -4.085 11.326 1.00 0.00 O ATOM 0 H ASP A 15 0.661 -7.406 10.672 1.00 0.00 H new ATOM 0 HA ASP A 15 1.091 -6.390 8.114 1.00 0.00 H new ATOM 0 HB2 ASP A 15 1.124 -4.214 9.233 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -0.119 -5.230 9.935 1.00 0.00 H new ATOM 177 N LEU A 16 3.450 -5.159 8.169 1.00 0.00 N ATOM 178 CA LEU A 16 4.866 -4.898 7.932 1.00 0.00 C ATOM 179 C LEU A 16 5.116 -3.408 7.721 1.00 0.00 C ATOM 180 O LEU A 16 4.515 -2.784 6.847 1.00 0.00 O ATOM 181 CB LEU A 16 5.353 -5.686 6.715 1.00 0.00 C ATOM 182 CG LEU A 16 6.867 -5.855 6.588 1.00 0.00 C ATOM 183 CD1 LEU A 16 7.200 -7.138 5.843 1.00 0.00 C ATOM 184 CD2 LEU A 16 7.482 -4.653 5.885 1.00 0.00 C ATOM 0 H LEU A 16 2.817 -4.515 7.695 1.00 0.00 H new ATOM 0 HA LEU A 16 5.423 -5.220 8.812 1.00 0.00 H new ATOM 0 HB2 LEU A 16 4.898 -6.676 6.742 1.00 0.00 H new ATOM 0 HB3 LEU A 16 4.986 -5.191 5.816 1.00 0.00 H new ATOM 0 HG LEU A 16 7.291 -5.920 7.590 1.00 0.00 H new ATOM 0 HD11 LEU A 16 8.282 -7.241 5.762 1.00 0.00 H new ATOM 0 HD12 LEU A 16 6.794 -7.991 6.387 1.00 0.00 H new ATOM 0 HD13 LEU A 16 6.763 -7.103 4.845 1.00 0.00 H new ATOM 0 HD21 LEU A 16 8.560 -4.791 5.804 1.00 0.00 H new ATOM 0 HD22 LEU A 16 7.053 -4.556 4.888 1.00 0.00 H new ATOM 0 HD23 LEU A 16 7.274 -3.750 6.459 1.00 0.00 H new ATOM 196 N LYS A 17 6.009 -2.843 8.527 1.00 0.00 N ATOM 197 CA LYS A 17 6.342 -1.427 8.428 1.00 0.00 C ATOM 198 C LYS A 17 7.085 -1.134 7.129 1.00 0.00 C ATOM 199 O LYS A 17 8.008 -1.856 6.752 1.00 0.00 O ATOM 200 CB LYS A 17 7.196 -0.998 9.624 1.00 0.00 C ATOM 201 CG LYS A 17 7.532 0.483 9.630 1.00 0.00 C ATOM 202 CD LYS A 17 8.378 0.857 10.836 1.00 0.00 C ATOM 203 CE LYS A 17 9.815 0.386 10.676 1.00 0.00 C ATOM 204 NZ LYS A 17 9.972 -1.051 11.037 1.00 0.00 N ATOM 0 H LYS A 17 6.515 -3.345 9.257 1.00 0.00 H new ATOM 0 HA LYS A 17 5.412 -0.859 8.431 1.00 0.00 H new ATOM 0 HB2 LYS A 17 6.668 -1.246 10.545 1.00 0.00 H new ATOM 0 HB3 LYS A 17 8.122 -1.572 9.623 1.00 0.00 H new ATOM 0 HG2 LYS A 17 8.067 0.740 8.715 1.00 0.00 H new ATOM 0 HG3 LYS A 17 6.611 1.066 9.635 1.00 0.00 H new ATOM 0 HD2 LYS A 17 8.361 1.938 10.972 1.00 0.00 H new ATOM 0 HD3 LYS A 17 7.947 0.416 11.735 1.00 0.00 H new ATOM 0 HE2 LYS A 17 10.134 0.538 9.645 1.00 0.00 H new ATOM 0 HE3 LYS A 17 10.468 0.992 11.305 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 10.777 -1.160 11.686 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 9.105 -1.389 11.501 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 10.144 -1.608 10.176 1.00 0.00 H new ATOM 218 N VAL A 18 6.678 -0.067 6.448 1.00 0.00 N ATOM 219 CA VAL A 18 7.307 0.324 5.192 1.00 0.00 C ATOM 220 C VAL A 18 7.834 1.753 5.262 1.00 0.00 C ATOM 221 O VAL A 18 8.905 2.058 4.737 1.00 0.00 O ATOM 222 CB VAL A 18 6.324 0.208 4.012 1.00 0.00 C ATOM 223 CG1 VAL A 18 5.853 -1.229 3.847 1.00 0.00 C ATOM 224 CG2 VAL A 18 5.142 1.146 4.209 1.00 0.00 C ATOM 0 H VAL A 18 5.916 0.542 6.745 1.00 0.00 H new ATOM 0 HA VAL A 18 8.140 -0.359 5.030 1.00 0.00 H new ATOM 0 HB VAL A 18 6.843 0.501 3.100 1.00 0.00 H new ATOM 0 HG11 VAL A 18 5.159 -1.291 3.008 1.00 0.00 H new ATOM 0 HG12 VAL A 18 6.711 -1.873 3.656 1.00 0.00 H new ATOM 0 HG13 VAL A 18 5.351 -1.554 4.758 1.00 0.00 H new ATOM 0 HG21 VAL A 18 4.458 1.051 3.366 1.00 0.00 H new ATOM 0 HG22 VAL A 18 4.621 0.886 5.130 1.00 0.00 H new ATOM 0 HG23 VAL A 18 5.500 2.174 4.272 1.00 0.00 H new ATOM 234 N PHE A 19 7.073 2.626 5.914 1.00 0.00 N ATOM 235 CA PHE A 19 7.463 4.025 6.054 1.00 0.00 C ATOM 236 C PHE A 19 7.213 4.520 7.476 1.00 0.00 C ATOM 237 O PHE A 19 6.175 4.232 8.070 1.00 0.00 O ATOM 238 CB PHE A 19 6.691 4.892 5.057 1.00 0.00 C ATOM 239 CG PHE A 19 7.025 6.354 5.151 1.00 0.00 C ATOM 240 CD1 PHE A 19 8.224 6.838 4.654 1.00 0.00 C ATOM 241 CD2 PHE A 19 6.139 7.244 5.737 1.00 0.00 C ATOM 242 CE1 PHE A 19 8.534 8.182 4.739 1.00 0.00 C ATOM 243 CE2 PHE A 19 6.443 8.589 5.825 1.00 0.00 C ATOM 244 CZ PHE A 19 7.642 9.059 5.326 1.00 0.00 C ATOM 0 H PHE A 19 6.183 2.390 6.354 1.00 0.00 H new ATOM 0 HA PHE A 19 8.530 4.102 5.844 1.00 0.00 H new ATOM 0 HB2 PHE A 19 6.901 4.544 4.046 1.00 0.00 H new ATOM 0 HB3 PHE A 19 5.622 4.760 5.224 1.00 0.00 H new ATOM 0 HD1 PHE A 19 8.925 6.157 4.195 1.00 0.00 H new ATOM 0 HD2 PHE A 19 5.200 6.882 6.129 1.00 0.00 H new ATOM 0 HE1 PHE A 19 9.472 8.546 4.347 1.00 0.00 H new ATOM 0 HE2 PHE A 19 5.744 9.272 6.284 1.00 0.00 H new ATOM 0 HZ PHE A 19 7.882 10.110 5.394 1.00 0.00 H new ATOM 254 N GLU A 20 8.174 5.265 8.013 1.00 0.00 N ATOM 255 CA GLU A 20 8.059 5.799 9.365 1.00 0.00 C ATOM 256 C GLU A 20 8.564 7.237 9.427 1.00 0.00 C ATOM 257 O GLU A 20 9.754 7.497 9.243 1.00 0.00 O ATOM 258 CB GLU A 20 8.843 4.928 10.349 1.00 0.00 C ATOM 259 CG GLU A 20 8.501 5.196 11.805 1.00 0.00 C ATOM 260 CD GLU A 20 8.924 4.064 12.721 1.00 0.00 C ATOM 261 OE1 GLU A 20 9.971 3.440 12.448 1.00 0.00 O ATOM 262 OE2 GLU A 20 8.208 3.802 13.710 1.00 0.00 O ATOM 0 H GLU A 20 9.040 5.512 7.533 1.00 0.00 H new ATOM 0 HA GLU A 20 7.005 5.791 9.643 1.00 0.00 H new ATOM 0 HB2 GLU A 20 8.650 3.879 10.126 1.00 0.00 H new ATOM 0 HB3 GLU A 20 9.910 5.094 10.198 1.00 0.00 H new ATOM 0 HG2 GLU A 20 8.987 6.118 12.125 1.00 0.00 H new ATOM 0 HG3 GLU A 20 7.426 5.352 11.899 1.00 0.00 H new ATOM 269 N ARG A 21 7.652 8.168 9.686 1.00 0.00 N ATOM 270 CA ARG A 21 8.004 9.581 9.771 1.00 0.00 C ATOM 271 C ARG A 21 7.289 10.250 10.941 1.00 0.00 C ATOM 272 O ARG A 21 6.065 10.190 11.049 1.00 0.00 O ATOM 273 CB ARG A 21 7.648 10.295 8.466 1.00 0.00 C ATOM 274 CG ARG A 21 8.088 11.750 8.429 1.00 0.00 C ATOM 275 CD ARG A 21 8.127 12.284 7.005 1.00 0.00 C ATOM 276 NE ARG A 21 9.397 11.991 6.346 1.00 0.00 N ATOM 277 CZ ARG A 21 10.515 12.673 6.567 1.00 0.00 C ATOM 278 NH1 ARG A 21 10.520 13.683 7.427 1.00 0.00 N ATOM 279 NH2 ARG A 21 11.631 12.346 5.928 1.00 0.00 N ATOM 0 H ARG A 21 6.663 7.970 9.841 1.00 0.00 H new ATOM 0 HA ARG A 21 9.079 9.653 9.936 1.00 0.00 H new ATOM 0 HB2 ARG A 21 8.109 9.763 7.633 1.00 0.00 H new ATOM 0 HB3 ARG A 21 6.569 10.246 8.317 1.00 0.00 H new ATOM 0 HG2 ARG A 21 7.405 12.353 9.026 1.00 0.00 H new ATOM 0 HG3 ARG A 21 9.075 11.844 8.881 1.00 0.00 H new ATOM 0 HD2 ARG A 21 7.311 11.846 6.431 1.00 0.00 H new ATOM 0 HD3 ARG A 21 7.965 13.362 7.017 1.00 0.00 H new ATOM 0 HE ARG A 21 9.427 11.220 5.679 1.00 0.00 H new ATOM 0 HH11 ARG A 21 9.664 13.937 7.920 1.00 0.00 H new ATOM 0 HH12 ARG A 21 11.380 14.205 7.595 1.00 0.00 H new ATOM 0 HH21 ARG A 21 11.631 11.570 5.266 1.00 0.00 H new ATOM 0 HH22 ARG A 21 12.489 12.871 6.099 1.00 0.00 H new ATOM 293 N GLU A 22 8.063 10.886 11.815 1.00 0.00 N ATOM 294 CA GLU A 22 7.503 11.565 12.978 1.00 0.00 C ATOM 295 C GLU A 22 6.137 12.163 12.653 1.00 0.00 C ATOM 296 O GLU A 22 6.037 13.149 11.924 1.00 0.00 O ATOM 297 CB GLU A 22 8.452 12.664 13.460 1.00 0.00 C ATOM 298 CG GLU A 22 8.616 13.805 12.469 1.00 0.00 C ATOM 299 CD GLU A 22 9.824 14.670 12.771 1.00 0.00 C ATOM 300 OE1 GLU A 22 9.864 15.270 13.866 1.00 0.00 O ATOM 301 OE2 GLU A 22 10.728 14.748 11.913 1.00 0.00 O ATOM 0 H GLU A 22 9.079 10.945 11.740 1.00 0.00 H new ATOM 0 HA GLU A 22 7.378 10.829 13.772 1.00 0.00 H new ATOM 0 HB2 GLU A 22 8.081 13.064 14.404 1.00 0.00 H new ATOM 0 HB3 GLU A 22 9.429 12.226 13.661 1.00 0.00 H new ATOM 0 HG2 GLU A 22 8.708 13.397 11.463 1.00 0.00 H new ATOM 0 HG3 GLU A 22 7.719 14.424 12.481 1.00 0.00 H new ATOM 308 N GLY A 23 5.087 11.558 13.201 1.00 0.00 N ATOM 309 CA GLY A 23 3.742 12.044 12.958 1.00 0.00 C ATOM 310 C GLY A 23 2.970 11.158 11.999 1.00 0.00 C ATOM 311 O GLY A 23 1.829 10.784 12.270 1.00 0.00 O ATOM 0 H GLY A 23 5.144 10.741 13.808 1.00 0.00 H new ATOM 0 HA2 GLY A 23 3.204 12.105 13.904 1.00 0.00 H new ATOM 0 HA3 GLY A 23 3.792 13.055 12.554 1.00 0.00 H new ATOM 315 N VAL A 24 3.593 10.824 10.873 1.00 0.00 N ATOM 316 CA VAL A 24 2.958 9.978 9.870 1.00 0.00 C ATOM 317 C VAL A 24 3.552 8.574 9.880 1.00 0.00 C ATOM 318 O VAL A 24 4.767 8.405 9.980 1.00 0.00 O ATOM 319 CB VAL A 24 3.103 10.575 8.458 1.00 0.00 C ATOM 320 CG1 VAL A 24 2.432 9.680 7.428 1.00 0.00 C ATOM 321 CG2 VAL A 24 2.523 11.981 8.413 1.00 0.00 C ATOM 0 H VAL A 24 4.537 11.127 10.633 1.00 0.00 H new ATOM 0 HA VAL A 24 1.900 9.924 10.126 1.00 0.00 H new ATOM 0 HB VAL A 24 4.164 10.635 8.215 1.00 0.00 H new ATOM 0 HG11 VAL A 24 2.545 10.118 6.436 1.00 0.00 H new ATOM 0 HG12 VAL A 24 2.897 8.694 7.444 1.00 0.00 H new ATOM 0 HG13 VAL A 24 1.372 9.585 7.664 1.00 0.00 H new ATOM 0 HG21 VAL A 24 2.634 12.388 7.408 1.00 0.00 H new ATOM 0 HG22 VAL A 24 1.466 11.947 8.676 1.00 0.00 H new ATOM 0 HG23 VAL A 24 3.053 12.616 9.122 1.00 0.00 H new ATOM 331 N GLN A 25 2.687 7.570 9.774 1.00 0.00 N ATOM 332 CA GLN A 25 3.127 6.180 9.770 1.00 0.00 C ATOM 333 C GLN A 25 2.335 5.361 8.756 1.00 0.00 C ATOM 334 O GLN A 25 1.110 5.464 8.680 1.00 0.00 O ATOM 335 CB GLN A 25 2.974 5.572 11.165 1.00 0.00 C ATOM 336 CG GLN A 25 4.202 5.749 12.044 1.00 0.00 C ATOM 337 CD GLN A 25 3.859 5.822 13.519 1.00 0.00 C ATOM 338 OE1 GLN A 25 2.840 5.288 13.958 1.00 0.00 O ATOM 339 NE2 GLN A 25 4.711 6.484 14.293 1.00 0.00 N ATOM 0 H GLN A 25 1.678 7.693 9.690 1.00 0.00 H new ATOM 0 HA GLN A 25 4.179 6.158 9.485 1.00 0.00 H new ATOM 0 HB2 GLN A 25 2.115 6.027 11.659 1.00 0.00 H new ATOM 0 HB3 GLN A 25 2.758 4.508 11.067 1.00 0.00 H new ATOM 0 HG2 GLN A 25 4.888 4.919 11.875 1.00 0.00 H new ATOM 0 HG3 GLN A 25 4.725 6.659 11.751 1.00 0.00 H new ATOM 0 HE21 GLN A 25 5.543 6.911 13.886 1.00 0.00 H new ATOM 0 HE22 GLN A 25 4.533 6.565 15.294 1.00 0.00 H new ATOM 348 N LEU A 26 3.041 4.548 7.979 1.00 0.00 N ATOM 349 CA LEU A 26 2.405 3.711 6.968 1.00 0.00 C ATOM 350 C LEU A 26 2.613 2.232 7.276 1.00 0.00 C ATOM 351 O LEU A 26 3.746 1.766 7.392 1.00 0.00 O ATOM 352 CB LEU A 26 2.961 4.039 5.581 1.00 0.00 C ATOM 353 CG LEU A 26 2.018 3.790 4.404 1.00 0.00 C ATOM 354 CD1 LEU A 26 0.906 4.826 4.383 1.00 0.00 C ATOM 355 CD2 LEU A 26 2.789 3.806 3.091 1.00 0.00 C ATOM 0 H LEU A 26 4.055 4.450 8.030 1.00 0.00 H new ATOM 0 HA LEU A 26 1.335 3.919 6.981 1.00 0.00 H new ATOM 0 HB2 LEU A 26 3.256 5.088 5.569 1.00 0.00 H new ATOM 0 HB3 LEU A 26 3.866 3.452 5.426 1.00 0.00 H new ATOM 0 HG LEU A 26 1.567 2.805 4.526 1.00 0.00 H new ATOM 0 HD11 LEU A 26 0.245 4.633 3.538 1.00 0.00 H new ATOM 0 HD12 LEU A 26 0.337 4.767 5.311 1.00 0.00 H new ATOM 0 HD13 LEU A 26 1.338 5.822 4.285 1.00 0.00 H new ATOM 0 HD21 LEU A 26 2.102 3.627 2.264 1.00 0.00 H new ATOM 0 HD22 LEU A 26 3.268 4.777 2.962 1.00 0.00 H new ATOM 0 HD23 LEU A 26 3.550 3.026 3.106 1.00 0.00 H new ATOM 367 N ASN A 27 1.512 1.499 7.405 1.00 0.00 N ATOM 368 CA ASN A 27 1.575 0.071 7.698 1.00 0.00 C ATOM 369 C ASN A 27 1.079 -0.750 6.512 1.00 0.00 C ATOM 370 O ASN A 27 0.172 -0.333 5.790 1.00 0.00 O ATOM 371 CB ASN A 27 0.742 -0.253 8.940 1.00 0.00 C ATOM 372 CG ASN A 27 1.412 0.206 10.221 1.00 0.00 C ATOM 373 OD1 ASN A 27 1.918 -0.606 10.996 1.00 0.00 O ATOM 374 ND2 ASN A 27 1.419 1.514 10.450 1.00 0.00 N ATOM 0 H ASN A 27 0.566 1.869 7.311 1.00 0.00 H new ATOM 0 HA ASN A 27 2.616 -0.190 7.888 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -0.235 0.223 8.853 1.00 0.00 H new ATOM 0 HB3 ASN A 27 0.570 -1.328 8.988 1.00 0.00 H new ATOM 0 HD21 ASN A 27 1.856 1.881 11.295 1.00 0.00 H new ATOM 0 HD22 ASN A 27 0.988 2.151 9.780 1.00 0.00 H new ATOM 381 N LEU A 28 1.679 -1.918 6.316 1.00 0.00 N ATOM 382 CA LEU A 28 1.298 -2.800 5.217 1.00 0.00 C ATOM 383 C LEU A 28 0.670 -4.086 5.744 1.00 0.00 C ATOM 384 O LEU A 28 1.178 -4.698 6.683 1.00 0.00 O ATOM 385 CB LEU A 28 2.518 -3.130 4.356 1.00 0.00 C ATOM 386 CG LEU A 28 2.239 -3.427 2.882 1.00 0.00 C ATOM 387 CD1 LEU A 28 3.522 -3.345 2.069 1.00 0.00 C ATOM 388 CD2 LEU A 28 1.593 -4.796 2.727 1.00 0.00 C ATOM 0 H LEU A 28 2.432 -2.277 6.903 1.00 0.00 H new ATOM 0 HA LEU A 28 0.560 -2.281 4.606 1.00 0.00 H new ATOM 0 HB2 LEU A 28 3.214 -2.293 4.412 1.00 0.00 H new ATOM 0 HB3 LEU A 28 3.022 -3.993 4.791 1.00 0.00 H new ATOM 0 HG LEU A 28 1.546 -2.676 2.504 1.00 0.00 H new ATOM 0 HD11 LEU A 28 3.304 -3.559 1.023 1.00 0.00 H new ATOM 0 HD12 LEU A 28 3.943 -2.343 2.154 1.00 0.00 H new ATOM 0 HD13 LEU A 28 4.239 -4.074 2.447 1.00 0.00 H new ATOM 0 HD21 LEU A 28 1.402 -4.991 1.672 1.00 0.00 H new ATOM 0 HD22 LEU A 28 2.262 -5.561 3.121 1.00 0.00 H new ATOM 0 HD23 LEU A 28 0.652 -4.819 3.277 1.00 0.00 H new ATOM 400 N SER A 29 -0.438 -4.491 5.131 1.00 0.00 N ATOM 401 CA SER A 29 -1.137 -5.704 5.538 1.00 0.00 C ATOM 402 C SER A 29 -1.410 -6.604 4.337 1.00 0.00 C ATOM 403 O SER A 29 -2.087 -6.205 3.389 1.00 0.00 O ATOM 404 CB SER A 29 -2.453 -5.350 6.234 1.00 0.00 C ATOM 405 OG SER A 29 -3.434 -4.947 5.295 1.00 0.00 O ATOM 0 H SER A 29 -0.871 -3.997 4.351 1.00 0.00 H new ATOM 0 HA SER A 29 -0.498 -6.244 6.236 1.00 0.00 H new ATOM 0 HB2 SER A 29 -2.815 -6.212 6.795 1.00 0.00 H new ATOM 0 HB3 SER A 29 -2.283 -4.549 6.954 1.00 0.00 H new ATOM 0 HG SER A 29 -3.083 -5.059 4.387 1.00 0.00 H new ATOM 411 N PHE A 30 -0.878 -7.821 4.384 1.00 0.00 N ATOM 412 CA PHE A 30 -1.063 -8.778 3.299 1.00 0.00 C ATOM 413 C PHE A 30 -2.192 -9.752 3.620 1.00 0.00 C ATOM 414 O PHE A 30 -2.373 -10.152 4.771 1.00 0.00 O ATOM 415 CB PHE A 30 0.234 -9.549 3.046 1.00 0.00 C ATOM 416 CG PHE A 30 1.421 -8.662 2.798 1.00 0.00 C ATOM 417 CD1 PHE A 30 2.193 -8.205 3.854 1.00 0.00 C ATOM 418 CD2 PHE A 30 1.763 -8.284 1.510 1.00 0.00 C ATOM 419 CE1 PHE A 30 3.286 -7.389 3.630 1.00 0.00 C ATOM 420 CE2 PHE A 30 2.855 -7.469 1.279 1.00 0.00 C ATOM 421 CZ PHE A 30 3.616 -7.019 2.341 1.00 0.00 C ATOM 0 H PHE A 30 -0.316 -8.168 5.161 1.00 0.00 H new ATOM 0 HA PHE A 30 -1.330 -8.223 2.399 1.00 0.00 H new ATOM 0 HB2 PHE A 30 0.441 -10.188 3.905 1.00 0.00 H new ATOM 0 HB3 PHE A 30 0.095 -10.205 2.187 1.00 0.00 H new ATOM 0 HD1 PHE A 30 1.938 -8.490 4.864 1.00 0.00 H new ATOM 0 HD2 PHE A 30 1.169 -8.630 0.677 1.00 0.00 H new ATOM 0 HE1 PHE A 30 3.881 -7.041 4.462 1.00 0.00 H new ATOM 0 HE2 PHE A 30 3.113 -7.184 0.270 1.00 0.00 H new ATOM 0 HZ PHE A 30 4.468 -6.379 2.163 1.00 0.00 H new ATOM 431 N ILE A 31 -2.949 -10.129 2.595 1.00 0.00 N ATOM 432 CA ILE A 31 -4.061 -11.057 2.768 1.00 0.00 C ATOM 433 C ILE A 31 -4.097 -12.086 1.643 1.00 0.00 C ATOM 434 O ILE A 31 -4.019 -11.737 0.465 1.00 0.00 O ATOM 435 CB ILE A 31 -5.410 -10.316 2.813 1.00 0.00 C ATOM 436 CG1 ILE A 31 -5.533 -9.515 4.111 1.00 0.00 C ATOM 437 CG2 ILE A 31 -6.561 -11.302 2.681 1.00 0.00 C ATOM 438 CD1 ILE A 31 -4.867 -8.158 4.050 1.00 0.00 C ATOM 0 H ILE A 31 -2.813 -9.807 1.637 1.00 0.00 H new ATOM 0 HA ILE A 31 -3.903 -11.566 3.719 1.00 0.00 H new ATOM 0 HB ILE A 31 -5.455 -9.622 1.974 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -6.589 -9.382 4.348 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -5.094 -10.090 4.926 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -7.508 -10.763 2.715 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -6.479 -11.832 1.732 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -6.522 -12.018 3.502 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -4.994 -7.647 5.004 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -3.804 -8.283 3.845 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -5.322 -7.565 3.257 1.00 0.00 H new ATOM 450 N ARG A 32 -4.216 -13.357 2.016 1.00 0.00 N ATOM 451 CA ARG A 32 -4.263 -14.438 1.039 1.00 0.00 C ATOM 452 C ARG A 32 -5.481 -15.328 1.271 1.00 0.00 C ATOM 453 O ARG A 32 -5.513 -16.151 2.187 1.00 0.00 O ATOM 454 CB ARG A 32 -2.985 -15.275 1.111 1.00 0.00 C ATOM 455 CG ARG A 32 -1.858 -14.742 0.241 1.00 0.00 C ATOM 456 CD ARG A 32 -0.799 -15.804 -0.010 1.00 0.00 C ATOM 457 NE ARG A 32 -1.358 -16.995 -0.644 1.00 0.00 N ATOM 458 CZ ARG A 32 -0.672 -18.116 -0.836 1.00 0.00 C ATOM 459 NH1 ARG A 32 0.593 -18.199 -0.445 1.00 0.00 N ATOM 460 NH2 ARG A 32 -1.250 -19.158 -1.420 1.00 0.00 N ATOM 0 H ARG A 32 -4.282 -13.662 2.987 1.00 0.00 H new ATOM 0 HA ARG A 32 -4.343 -13.994 0.047 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -2.645 -15.316 2.146 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -3.213 -16.297 0.810 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -2.263 -14.398 -0.711 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -1.401 -13.878 0.724 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -0.014 -15.391 -0.643 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -0.333 -16.082 0.935 1.00 0.00 H new ATOM 0 HE ARG A 32 -2.328 -16.964 -0.956 1.00 0.00 H new ATOM 0 HH11 ARG A 32 1.041 -17.401 0.004 1.00 0.00 H new ATOM 0 HH12 ARG A 32 1.117 -19.061 -0.594 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -2.222 -19.099 -1.722 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -0.722 -20.018 -1.567 1.00 0.00 H new ATOM 474 N PRO A 33 -6.507 -15.160 0.424 1.00 0.00 N ATOM 475 CA PRO A 33 -7.745 -15.939 0.516 1.00 0.00 C ATOM 476 C PRO A 33 -7.541 -17.401 0.134 1.00 0.00 C ATOM 477 O PRO A 33 -6.717 -17.736 -0.717 1.00 0.00 O ATOM 478 CB PRO A 33 -8.674 -15.249 -0.486 1.00 0.00 C ATOM 479 CG PRO A 33 -7.759 -14.603 -1.468 1.00 0.00 C ATOM 480 CD PRO A 33 -6.537 -14.198 -0.690 1.00 0.00 C ATOM 0 HA PRO A 33 -8.136 -15.964 1.533 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -9.334 -15.967 -0.973 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -9.310 -14.513 0.006 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -7.499 -15.292 -2.272 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -8.232 -13.737 -1.931 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -5.635 -14.260 -1.298 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -6.611 -13.171 -0.332 1.00 0.00 H new ATOM 488 N PRO A 34 -8.308 -18.294 0.776 1.00 0.00 N ATOM 489 CA PRO A 34 -8.230 -19.735 0.519 1.00 0.00 C ATOM 490 C PRO A 34 -8.774 -20.109 -0.856 1.00 0.00 C ATOM 491 O PRO A 34 -8.194 -20.936 -1.559 1.00 0.00 O ATOM 492 CB PRO A 34 -9.101 -20.341 1.622 1.00 0.00 C ATOM 493 CG PRO A 34 -10.059 -19.259 1.985 1.00 0.00 C ATOM 494 CD PRO A 34 -9.312 -17.967 1.803 1.00 0.00 C ATOM 0 HA PRO A 34 -7.201 -20.094 0.525 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -9.623 -21.231 1.270 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -8.500 -20.642 2.480 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -10.944 -19.291 1.349 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -10.402 -19.370 3.014 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -9.973 -17.163 1.477 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -8.845 -17.639 2.732 1.00 0.00 H new ATOM 502 N GLU A 35 -9.891 -19.495 -1.232 1.00 0.00 N ATOM 503 CA GLU A 35 -10.513 -19.764 -2.523 1.00 0.00 C ATOM 504 C GLU A 35 -9.550 -19.456 -3.666 1.00 0.00 C ATOM 505 O GLU A 35 -9.454 -20.212 -4.632 1.00 0.00 O ATOM 506 CB GLU A 35 -11.790 -18.938 -2.682 1.00 0.00 C ATOM 507 CG GLU A 35 -11.536 -17.447 -2.833 1.00 0.00 C ATOM 508 CD GLU A 35 -12.791 -16.618 -2.637 1.00 0.00 C ATOM 509 OE1 GLU A 35 -13.674 -16.660 -3.519 1.00 0.00 O ATOM 510 OE2 GLU A 35 -12.889 -15.928 -1.601 1.00 0.00 O ATOM 0 H GLU A 35 -10.384 -18.808 -0.661 1.00 0.00 H new ATOM 0 HA GLU A 35 -10.767 -20.823 -2.560 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -12.337 -19.295 -3.554 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -12.430 -19.103 -1.815 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -10.783 -17.136 -2.109 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -11.126 -17.251 -3.824 1.00 0.00 H new ATOM 517 N ASN A 36 -8.838 -18.340 -3.547 1.00 0.00 N ATOM 518 CA ASN A 36 -7.882 -17.931 -4.570 1.00 0.00 C ATOM 519 C ASN A 36 -6.484 -17.777 -3.979 1.00 0.00 C ATOM 520 O ASN A 36 -6.114 -16.723 -3.463 1.00 0.00 O ATOM 521 CB ASN A 36 -8.324 -16.614 -5.212 1.00 0.00 C ATOM 522 CG ASN A 36 -9.232 -16.829 -6.407 1.00 0.00 C ATOM 523 OD1 ASN A 36 -9.686 -17.945 -6.663 1.00 0.00 O ATOM 524 ND2 ASN A 36 -9.502 -15.759 -7.146 1.00 0.00 N ATOM 0 H ASN A 36 -8.905 -17.703 -2.753 1.00 0.00 H new ATOM 0 HA ASN A 36 -7.850 -18.708 -5.334 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -8.843 -16.007 -4.470 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -7.444 -16.052 -5.524 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -10.107 -15.843 -7.963 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -9.104 -14.853 -6.897 1.00 0.00 H new ATOM 531 N PRO A 37 -5.688 -18.854 -4.055 1.00 0.00 N ATOM 532 CA PRO A 37 -4.318 -18.864 -3.534 1.00 0.00 C ATOM 533 C PRO A 37 -3.378 -17.990 -4.357 1.00 0.00 C ATOM 534 O PRO A 37 -2.405 -17.447 -3.835 1.00 0.00 O ATOM 535 CB PRO A 37 -3.909 -20.336 -3.639 1.00 0.00 C ATOM 536 CG PRO A 37 -4.759 -20.887 -4.732 1.00 0.00 C ATOM 537 CD PRO A 37 -6.064 -20.145 -4.656 1.00 0.00 C ATOM 0 HA PRO A 37 -4.264 -18.464 -2.522 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -2.849 -20.437 -3.872 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -4.080 -20.863 -2.700 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -4.286 -20.745 -5.704 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -4.912 -21.959 -4.605 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -6.510 -20.015 -5.642 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -6.793 -20.676 -4.044 1.00 0.00 H new ATOM 545 N ALA A 38 -3.677 -17.858 -5.645 1.00 0.00 N ATOM 546 CA ALA A 38 -2.859 -17.047 -6.539 1.00 0.00 C ATOM 547 C ALA A 38 -3.195 -15.566 -6.397 1.00 0.00 C ATOM 548 O ALA A 38 -2.510 -14.708 -6.957 1.00 0.00 O ATOM 549 CB ALA A 38 -3.048 -17.497 -7.980 1.00 0.00 C ATOM 0 H ALA A 38 -4.479 -18.302 -6.093 1.00 0.00 H new ATOM 0 HA ALA A 38 -1.814 -17.184 -6.261 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -2.432 -16.883 -8.637 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -2.752 -18.542 -8.077 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -4.096 -17.389 -8.260 1.00 0.00 H new ATOM 555 N LEU A 39 -4.251 -15.273 -5.647 1.00 0.00 N ATOM 556 CA LEU A 39 -4.678 -13.894 -5.433 1.00 0.00 C ATOM 557 C LEU A 39 -4.101 -13.342 -4.133 1.00 0.00 C ATOM 558 O LEU A 39 -4.267 -13.934 -3.066 1.00 0.00 O ATOM 559 CB LEU A 39 -6.205 -13.811 -5.402 1.00 0.00 C ATOM 560 CG LEU A 39 -6.796 -12.429 -5.123 1.00 0.00 C ATOM 561 CD1 LEU A 39 -6.779 -11.577 -6.382 1.00 0.00 C ATOM 562 CD2 LEU A 39 -8.213 -12.555 -4.581 1.00 0.00 C ATOM 0 H LEU A 39 -4.827 -15.971 -5.177 1.00 0.00 H new ATOM 0 HA LEU A 39 -4.304 -13.291 -6.261 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -6.588 -14.161 -6.361 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -6.571 -14.501 -4.642 1.00 0.00 H new ATOM 0 HG LEU A 39 -6.182 -11.938 -4.369 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -7.204 -10.597 -6.164 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -5.752 -11.459 -6.728 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -7.369 -12.063 -7.159 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -8.618 -11.562 -4.388 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -8.838 -13.066 -5.313 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -8.198 -13.127 -3.654 1.00 0.00 H new ATOM 574 N LEU A 40 -3.424 -12.203 -4.230 1.00 0.00 N ATOM 575 CA LEU A 40 -2.824 -11.568 -3.061 1.00 0.00 C ATOM 576 C LEU A 40 -3.452 -10.203 -2.801 1.00 0.00 C ATOM 577 O LEU A 40 -3.163 -9.231 -3.500 1.00 0.00 O ATOM 578 CB LEU A 40 -1.314 -11.419 -3.256 1.00 0.00 C ATOM 579 CG LEU A 40 -0.560 -10.704 -2.135 1.00 0.00 C ATOM 580 CD1 LEU A 40 -0.648 -11.498 -0.841 1.00 0.00 C ATOM 581 CD2 LEU A 40 0.893 -10.480 -2.528 1.00 0.00 C ATOM 0 H LEU A 40 -3.277 -11.700 -5.105 1.00 0.00 H new ATOM 0 HA LEU A 40 -3.011 -12.204 -2.196 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -0.884 -12.413 -3.379 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -1.140 -10.878 -4.186 1.00 0.00 H new ATOM 0 HG LEU A 40 -1.026 -9.732 -1.973 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -0.105 -10.973 -0.055 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -1.693 -11.606 -0.551 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -0.209 -12.485 -0.989 1.00 0.00 H new ATOM 0 HD21 LEU A 40 1.414 -9.970 -1.718 1.00 0.00 H new ATOM 0 HD22 LEU A 40 1.371 -11.441 -2.719 1.00 0.00 H new ATOM 0 HD23 LEU A 40 0.936 -9.868 -3.429 1.00 0.00 H new ATOM 593 N LEU A 41 -4.311 -10.136 -1.789 1.00 0.00 N ATOM 594 CA LEU A 41 -4.979 -8.888 -1.434 1.00 0.00 C ATOM 595 C LEU A 41 -4.144 -8.088 -0.439 1.00 0.00 C ATOM 596 O LEU A 41 -3.922 -8.523 0.691 1.00 0.00 O ATOM 597 CB LEU A 41 -6.360 -9.177 -0.843 1.00 0.00 C ATOM 598 CG LEU A 41 -7.259 -10.106 -1.659 1.00 0.00 C ATOM 599 CD1 LEU A 41 -8.344 -10.707 -0.780 1.00 0.00 C ATOM 600 CD2 LEU A 41 -7.874 -9.357 -2.832 1.00 0.00 C ATOM 0 H LEU A 41 -4.561 -10.931 -1.200 1.00 0.00 H new ATOM 0 HA LEU A 41 -5.096 -8.295 -2.341 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -6.225 -9.612 0.147 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -6.880 -8.229 -0.706 1.00 0.00 H new ATOM 0 HG LEU A 41 -6.648 -10.918 -2.052 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -8.974 -11.365 -1.378 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -7.884 -11.279 0.026 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -8.953 -9.908 -0.357 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -8.511 -10.033 -3.402 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -8.471 -8.524 -2.459 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -7.082 -8.976 -3.476 1.00 0.00 H new ATOM 612 N ILE A 42 -3.686 -6.916 -0.867 1.00 0.00 N ATOM 613 CA ILE A 42 -2.879 -6.054 -0.012 1.00 0.00 C ATOM 614 C ILE A 42 -3.630 -4.775 0.344 1.00 0.00 C ATOM 615 O ILE A 42 -4.361 -4.221 -0.478 1.00 0.00 O ATOM 616 CB ILE A 42 -1.546 -5.682 -0.686 1.00 0.00 C ATOM 617 CG1 ILE A 42 -0.675 -6.928 -0.866 1.00 0.00 C ATOM 618 CG2 ILE A 42 -0.813 -4.631 0.133 1.00 0.00 C ATOM 619 CD1 ILE A 42 0.518 -6.706 -1.769 1.00 0.00 C ATOM 0 H ILE A 42 -3.860 -6.542 -1.800 1.00 0.00 H new ATOM 0 HA ILE A 42 -2.672 -6.617 0.898 1.00 0.00 H new ATOM 0 HB ILE A 42 -1.758 -5.264 -1.670 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -0.324 -7.260 0.111 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -1.286 -7.732 -1.276 1.00 0.00 H new ATOM 0 HG21 ILE A 42 0.127 -4.379 -0.357 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -1.431 -3.737 0.214 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -0.609 -5.023 1.129 1.00 0.00 H new ATOM 0 HD11 ILE A 42 1.090 -7.631 -1.851 1.00 0.00 H new ATOM 0 HD12 ILE A 42 0.174 -6.403 -2.758 1.00 0.00 H new ATOM 0 HD13 ILE A 42 1.151 -5.924 -1.350 1.00 0.00 H new ATOM 631 N THR A 43 -3.443 -4.309 1.575 1.00 0.00 N ATOM 632 CA THR A 43 -4.102 -3.095 2.041 1.00 0.00 C ATOM 633 C THR A 43 -3.113 -2.165 2.735 1.00 0.00 C ATOM 634 O THR A 43 -2.140 -2.618 3.339 1.00 0.00 O ATOM 635 CB THR A 43 -5.253 -3.418 3.011 1.00 0.00 C ATOM 636 OG1 THR A 43 -6.081 -4.450 2.464 1.00 0.00 O ATOM 637 CG2 THR A 43 -6.094 -2.179 3.284 1.00 0.00 C ATOM 0 H THR A 43 -2.840 -4.754 2.267 1.00 0.00 H new ATOM 0 HA THR A 43 -4.508 -2.597 1.160 1.00 0.00 H new ATOM 0 HB THR A 43 -4.820 -3.760 3.951 1.00 0.00 H new ATOM 0 HG1 THR A 43 -6.809 -4.650 3.088 1.00 0.00 H new ATOM 0 HG21 THR A 43 -6.901 -2.431 3.972 1.00 0.00 H new ATOM 0 HG22 THR A 43 -5.468 -1.405 3.728 1.00 0.00 H new ATOM 0 HG23 THR A 43 -6.516 -1.812 2.348 1.00 0.00 H new ATOM 645 N ILE A 44 -3.368 -0.865 2.645 1.00 0.00 N ATOM 646 CA ILE A 44 -2.501 0.128 3.266 1.00 0.00 C ATOM 647 C ILE A 44 -3.200 0.816 4.434 1.00 0.00 C ATOM 648 O ILE A 44 -4.425 0.772 4.552 1.00 0.00 O ATOM 649 CB ILE A 44 -2.051 1.196 2.252 1.00 0.00 C ATOM 650 CG1 ILE A 44 -1.954 0.591 0.850 1.00 0.00 C ATOM 651 CG2 ILE A 44 -0.716 1.794 2.670 1.00 0.00 C ATOM 652 CD1 ILE A 44 -1.649 1.608 -0.227 1.00 0.00 C ATOM 0 H ILE A 44 -4.168 -0.474 2.148 1.00 0.00 H new ATOM 0 HA ILE A 44 -1.624 -0.406 3.633 1.00 0.00 H new ATOM 0 HB ILE A 44 -2.794 1.993 2.233 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -1.178 -0.174 0.846 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -2.894 0.093 0.612 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -0.411 2.547 1.943 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -0.816 2.257 3.652 1.00 0.00 H new ATOM 0 HG23 ILE A 44 0.037 1.007 2.715 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -1.595 1.108 -1.194 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -2.437 2.360 -0.251 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -0.695 2.089 -0.013 1.00 0.00 H new ATOM 664 N THR A 45 -2.414 1.453 5.296 1.00 0.00 N ATOM 665 CA THR A 45 -2.957 2.150 6.455 1.00 0.00 C ATOM 666 C THR A 45 -2.156 3.410 6.763 1.00 0.00 C ATOM 667 O THR A 45 -1.045 3.339 7.287 1.00 0.00 O ATOM 668 CB THR A 45 -2.968 1.245 7.701 1.00 0.00 C ATOM 669 OG1 THR A 45 -3.767 0.083 7.455 1.00 0.00 O ATOM 670 CG2 THR A 45 -3.511 1.994 8.909 1.00 0.00 C ATOM 0 H THR A 45 -1.398 1.501 5.213 1.00 0.00 H new ATOM 0 HA THR A 45 -3.982 2.425 6.207 1.00 0.00 H new ATOM 0 HB THR A 45 -1.942 0.942 7.912 1.00 0.00 H new ATOM 0 HG1 THR A 45 -3.768 -0.488 8.251 1.00 0.00 H new ATOM 0 HG21 THR A 45 -3.509 1.335 9.777 1.00 0.00 H new ATOM 0 HG22 THR A 45 -2.883 2.862 9.111 1.00 0.00 H new ATOM 0 HG23 THR A 45 -4.530 2.323 8.705 1.00 0.00 H new ATOM 678 N ALA A 46 -2.728 4.564 6.435 1.00 0.00 N ATOM 679 CA ALA A 46 -2.068 5.841 6.679 1.00 0.00 C ATOM 680 C ALA A 46 -2.648 6.532 7.908 1.00 0.00 C ATOM 681 O ALA A 46 -3.800 6.970 7.903 1.00 0.00 O ATOM 682 CB ALA A 46 -2.191 6.740 5.458 1.00 0.00 C ATOM 0 H ALA A 46 -3.647 4.641 6.000 1.00 0.00 H new ATOM 0 HA ALA A 46 -1.012 5.647 6.868 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -1.694 7.690 5.654 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -1.723 6.256 4.601 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -3.244 6.919 5.243 1.00 0.00 H new ATOM 688 N THR A 47 -1.845 6.627 8.963 1.00 0.00 N ATOM 689 CA THR A 47 -2.279 7.263 10.200 1.00 0.00 C ATOM 690 C THR A 47 -1.555 8.586 10.422 1.00 0.00 C ATOM 691 O THR A 47 -0.355 8.697 10.173 1.00 0.00 O ATOM 692 CB THR A 47 -2.038 6.349 11.417 1.00 0.00 C ATOM 693 OG1 THR A 47 -0.644 6.037 11.526 1.00 0.00 O ATOM 694 CG2 THR A 47 -2.842 5.064 11.296 1.00 0.00 C ATOM 0 H THR A 47 -0.889 6.271 8.985 1.00 0.00 H new ATOM 0 HA THR A 47 -3.348 7.449 10.101 1.00 0.00 H new ATOM 0 HB THR A 47 -2.363 6.879 12.312 1.00 0.00 H new ATOM 0 HG1 THR A 47 -0.498 5.457 12.302 1.00 0.00 H new ATOM 0 HG21 THR A 47 -2.656 4.435 12.166 1.00 0.00 H new ATOM 0 HG22 THR A 47 -3.904 5.303 11.242 1.00 0.00 H new ATOM 0 HG23 THR A 47 -2.543 4.532 10.393 1.00 0.00 H new ATOM 702 N ASN A 48 -2.292 9.587 10.891 1.00 0.00 N ATOM 703 CA ASN A 48 -1.719 10.904 11.146 1.00 0.00 C ATOM 704 C ASN A 48 -2.036 11.370 12.564 1.00 0.00 C ATOM 705 O ASN A 48 -3.184 11.316 13.005 1.00 0.00 O ATOM 706 CB ASN A 48 -2.251 11.920 10.133 1.00 0.00 C ATOM 707 CG ASN A 48 -2.140 13.347 10.633 1.00 0.00 C ATOM 708 OD1 ASN A 48 -1.256 13.672 11.426 1.00 0.00 O ATOM 709 ND2 ASN A 48 -3.039 14.208 10.170 1.00 0.00 N ATOM 0 H ASN A 48 -3.287 9.512 11.102 1.00 0.00 H new ATOM 0 HA ASN A 48 -0.637 10.828 11.040 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -1.698 11.821 9.199 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -3.294 11.696 9.911 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -3.014 15.182 10.471 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -3.754 13.895 9.514 1.00 0.00 H new ATOM 716 N PHE A 49 -1.009 11.827 13.274 1.00 0.00 N ATOM 717 CA PHE A 49 -1.178 12.302 14.643 1.00 0.00 C ATOM 718 C PHE A 49 -0.644 13.723 14.794 1.00 0.00 C ATOM 719 O PHE A 49 -1.131 14.496 15.620 1.00 0.00 O ATOM 720 CB PHE A 49 -0.460 11.369 15.620 1.00 0.00 C ATOM 721 CG PHE A 49 -1.108 10.019 15.746 1.00 0.00 C ATOM 722 CD1 PHE A 49 -2.324 9.877 16.396 1.00 0.00 C ATOM 723 CD2 PHE A 49 -0.502 8.893 15.213 1.00 0.00 C ATOM 724 CE1 PHE A 49 -2.921 8.637 16.513 1.00 0.00 C ATOM 725 CE2 PHE A 49 -1.096 7.650 15.327 1.00 0.00 C ATOM 726 CZ PHE A 49 -2.307 7.522 15.977 1.00 0.00 C ATOM 0 H PHE A 49 -0.052 11.878 12.924 1.00 0.00 H new ATOM 0 HA PHE A 49 -2.244 12.307 14.872 1.00 0.00 H new ATOM 0 HB2 PHE A 49 0.572 11.239 15.294 1.00 0.00 H new ATOM 0 HB3 PHE A 49 -0.427 11.840 16.602 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -2.810 10.745 16.816 1.00 0.00 H new ATOM 0 HD2 PHE A 49 0.445 8.987 14.703 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -3.868 8.539 17.023 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -0.613 6.780 14.908 1.00 0.00 H new ATOM 0 HZ PHE A 49 -2.773 6.552 16.066 1.00 0.00 H new ATOM 736 N SER A 50 0.361 14.060 13.992 1.00 0.00 N ATOM 737 CA SER A 50 0.965 15.387 14.040 1.00 0.00 C ATOM 738 C SER A 50 -0.106 16.473 14.004 1.00 0.00 C ATOM 739 O SER A 50 -1.274 16.198 13.729 1.00 0.00 O ATOM 740 CB SER A 50 1.934 15.571 12.870 1.00 0.00 C ATOM 741 OG SER A 50 1.239 15.633 11.637 1.00 0.00 O ATOM 0 H SER A 50 0.774 13.433 13.302 1.00 0.00 H new ATOM 0 HA SER A 50 1.516 15.476 14.976 1.00 0.00 H new ATOM 0 HB2 SER A 50 2.511 16.485 13.012 1.00 0.00 H new ATOM 0 HB3 SER A 50 2.645 14.745 12.849 1.00 0.00 H new ATOM 0 HG SER A 50 1.703 16.247 11.030 1.00 0.00 H new ATOM 747 N GLU A 51 0.302 17.707 14.283 1.00 0.00 N ATOM 748 CA GLU A 51 -0.623 18.834 14.284 1.00 0.00 C ATOM 749 C GLU A 51 -0.807 19.388 12.874 1.00 0.00 C ATOM 750 O GLU A 51 -0.955 20.594 12.683 1.00 0.00 O ATOM 751 CB GLU A 51 -0.116 19.938 15.215 1.00 0.00 C ATOM 752 CG GLU A 51 1.250 20.480 14.829 1.00 0.00 C ATOM 753 CD GLU A 51 1.943 21.187 15.977 1.00 0.00 C ATOM 754 OE1 GLU A 51 1.888 20.670 17.113 1.00 0.00 O ATOM 755 OE2 GLU A 51 2.541 22.258 15.740 1.00 0.00 O ATOM 0 H GLU A 51 1.266 17.951 14.511 1.00 0.00 H new ATOM 0 HA GLU A 51 -1.588 18.478 14.645 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -0.835 20.757 15.218 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -0.069 19.550 16.233 1.00 0.00 H new ATOM 0 HG2 GLU A 51 1.877 19.659 14.481 1.00 0.00 H new ATOM 0 HG3 GLU A 51 1.139 21.172 13.995 1.00 0.00 H new ATOM 762 N GLY A 52 -0.795 18.496 11.888 1.00 0.00 N ATOM 763 CA GLY A 52 -0.960 18.914 10.508 1.00 0.00 C ATOM 764 C GLY A 52 -1.917 18.021 9.743 1.00 0.00 C ATOM 765 O GLY A 52 -1.568 16.901 9.369 1.00 0.00 O ATOM 0 H GLY A 52 -0.674 17.492 12.020 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -1.327 19.940 10.484 1.00 0.00 H new ATOM 0 HA3 GLY A 52 0.011 18.911 10.012 1.00 0.00 H new ATOM 769 N ASP A 53 -3.128 18.516 9.510 1.00 0.00 N ATOM 770 CA ASP A 53 -4.138 17.755 8.784 1.00 0.00 C ATOM 771 C ASP A 53 -3.613 17.316 7.421 1.00 0.00 C ATOM 772 O ASP A 53 -3.127 18.132 6.639 1.00 0.00 O ATOM 773 CB ASP A 53 -5.408 18.590 8.611 1.00 0.00 C ATOM 774 CG ASP A 53 -5.120 20.077 8.551 1.00 0.00 C ATOM 775 OD1 ASP A 53 -4.693 20.556 7.479 1.00 0.00 O ATOM 776 OD2 ASP A 53 -5.323 20.762 9.574 1.00 0.00 O ATOM 0 H ASP A 53 -3.434 19.441 9.813 1.00 0.00 H new ATOM 0 HA ASP A 53 -4.374 16.864 9.366 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -5.918 18.285 7.698 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -6.088 18.388 9.439 1.00 0.00 H new ATOM 781 N VAL A 54 -3.714 16.019 7.144 1.00 0.00 N ATOM 782 CA VAL A 54 -3.249 15.471 5.876 1.00 0.00 C ATOM 783 C VAL A 54 -4.414 15.223 4.924 1.00 0.00 C ATOM 784 O VAL A 54 -5.312 14.431 5.216 1.00 0.00 O ATOM 785 CB VAL A 54 -2.481 14.152 6.082 1.00 0.00 C ATOM 786 CG1 VAL A 54 -2.112 13.533 4.743 1.00 0.00 C ATOM 787 CG2 VAL A 54 -1.240 14.387 6.930 1.00 0.00 C ATOM 0 H VAL A 54 -4.113 15.329 7.781 1.00 0.00 H new ATOM 0 HA VAL A 54 -2.577 16.210 5.440 1.00 0.00 H new ATOM 0 HB VAL A 54 -3.129 13.453 6.611 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -1.570 12.602 4.910 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -3.019 13.328 4.175 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -1.482 14.225 4.184 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -0.709 13.445 7.066 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -0.588 15.103 6.430 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -1.533 14.782 7.903 1.00 0.00 H new ATOM 797 N THR A 55 -4.395 15.905 3.783 1.00 0.00 N ATOM 798 CA THR A 55 -5.450 15.760 2.788 1.00 0.00 C ATOM 799 C THR A 55 -4.872 15.690 1.380 1.00 0.00 C ATOM 800 O THR A 55 -3.658 15.777 1.191 1.00 0.00 O ATOM 801 CB THR A 55 -6.455 16.926 2.861 1.00 0.00 C ATOM 802 OG1 THR A 55 -5.809 18.152 2.501 1.00 0.00 O ATOM 803 CG2 THR A 55 -7.043 17.047 4.259 1.00 0.00 C ATOM 0 H THR A 55 -3.660 16.564 3.525 1.00 0.00 H new ATOM 0 HA THR A 55 -5.969 14.828 3.011 1.00 0.00 H new ATOM 0 HB THR A 55 -7.265 16.724 2.160 1.00 0.00 H new ATOM 0 HG1 THR A 55 -6.454 18.888 2.548 1.00 0.00 H new ATOM 0 HG21 THR A 55 -7.749 17.877 4.286 1.00 0.00 H new ATOM 0 HG22 THR A 55 -7.559 16.122 4.518 1.00 0.00 H new ATOM 0 HG23 THR A 55 -6.242 17.229 4.976 1.00 0.00 H new ATOM 811 N HIS A 56 -5.747 15.534 0.392 1.00 0.00 N ATOM 812 CA HIS A 56 -5.323 15.454 -1.001 1.00 0.00 C ATOM 813 C HIS A 56 -4.138 14.504 -1.154 1.00 0.00 C ATOM 814 O HIS A 56 -3.235 14.746 -1.955 1.00 0.00 O ATOM 815 CB HIS A 56 -4.949 16.842 -1.523 1.00 0.00 C ATOM 816 CG HIS A 56 -6.111 17.604 -2.082 1.00 0.00 C ATOM 817 ND1 HIS A 56 -6.184 18.007 -3.398 1.00 0.00 N ATOM 818 CD2 HIS A 56 -7.252 18.036 -1.494 1.00 0.00 C ATOM 819 CE1 HIS A 56 -7.318 18.655 -3.596 1.00 0.00 C ATOM 820 NE2 HIS A 56 -7.985 18.686 -2.456 1.00 0.00 N ATOM 0 H HIS A 56 -6.755 15.460 0.530 1.00 0.00 H new ATOM 0 HA HIS A 56 -6.156 15.066 -1.587 1.00 0.00 H new ATOM 0 HB2 HIS A 56 -4.503 17.418 -0.712 1.00 0.00 H new ATOM 0 HB3 HIS A 56 -4.188 16.738 -2.296 1.00 0.00 H new ATOM 0 HD2 HIS A 56 -7.533 17.895 -0.461 1.00 0.00 H new ATOM 0 HE1 HIS A 56 -7.644 19.086 -4.531 1.00 0.00 H new ATOM 0 HE2 HIS A 56 -8.896 19.122 -2.314 1.00 0.00 H new ATOM 828 N PHE A 57 -4.148 13.424 -0.380 1.00 0.00 N ATOM 829 CA PHE A 57 -3.074 12.439 -0.428 1.00 0.00 C ATOM 830 C PHE A 57 -3.361 11.373 -1.481 1.00 0.00 C ATOM 831 O PHE A 57 -4.460 10.821 -1.538 1.00 0.00 O ATOM 832 CB PHE A 57 -2.893 11.783 0.942 1.00 0.00 C ATOM 833 CG PHE A 57 -2.246 10.429 0.878 1.00 0.00 C ATOM 834 CD1 PHE A 57 -1.145 10.211 0.066 1.00 0.00 C ATOM 835 CD2 PHE A 57 -2.739 9.374 1.629 1.00 0.00 C ATOM 836 CE1 PHE A 57 -0.546 8.966 0.004 1.00 0.00 C ATOM 837 CE2 PHE A 57 -2.145 8.128 1.572 1.00 0.00 C ATOM 838 CZ PHE A 57 -1.048 7.923 0.758 1.00 0.00 C ATOM 0 H PHE A 57 -4.888 13.209 0.288 1.00 0.00 H new ATOM 0 HA PHE A 57 -2.153 12.955 -0.700 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -2.289 12.436 1.572 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -3.867 11.689 1.422 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -0.750 11.023 -0.526 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -3.597 9.528 2.266 1.00 0.00 H new ATOM 0 HE1 PHE A 57 0.312 8.810 -0.633 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -2.538 7.315 2.164 1.00 0.00 H new ATOM 0 HZ PHE A 57 -0.584 6.949 0.711 1.00 0.00 H new ATOM 848 N ILE A 58 -2.365 11.089 -2.314 1.00 0.00 N ATOM 849 CA ILE A 58 -2.510 10.089 -3.365 1.00 0.00 C ATOM 850 C ILE A 58 -1.478 8.977 -3.211 1.00 0.00 C ATOM 851 O ILE A 58 -0.275 9.236 -3.160 1.00 0.00 O ATOM 852 CB ILE A 58 -2.367 10.718 -4.763 1.00 0.00 C ATOM 853 CG1 ILE A 58 -3.482 11.737 -5.005 1.00 0.00 C ATOM 854 CG2 ILE A 58 -2.388 9.637 -5.834 1.00 0.00 C ATOM 855 CD1 ILE A 58 -3.168 13.115 -4.467 1.00 0.00 C ATOM 0 H ILE A 58 -1.449 11.537 -2.281 1.00 0.00 H new ATOM 0 HA ILE A 58 -3.511 9.668 -3.266 1.00 0.00 H new ATOM 0 HB ILE A 58 -1.410 11.237 -4.816 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -3.672 11.808 -6.076 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -4.400 11.376 -4.542 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -2.286 10.097 -6.817 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -1.562 8.946 -5.669 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -3.331 9.093 -5.784 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -4.002 13.785 -4.674 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -3.007 13.057 -3.390 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -2.268 13.497 -4.948 1.00 0.00 H new ATOM 867 N CYS A 59 -1.956 7.740 -3.140 1.00 0.00 N ATOM 868 CA CYS A 59 -1.074 6.587 -2.993 1.00 0.00 C ATOM 869 C CYS A 59 -1.025 5.773 -4.282 1.00 0.00 C ATOM 870 O CYS A 59 -2.001 5.121 -4.652 1.00 0.00 O ATOM 871 CB CYS A 59 -1.543 5.704 -1.835 1.00 0.00 C ATOM 872 SG CYS A 59 -0.322 4.485 -1.296 1.00 0.00 S ATOM 0 H CYS A 59 -2.949 7.509 -3.182 1.00 0.00 H new ATOM 0 HA CYS A 59 -0.070 6.953 -2.777 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -1.803 6.340 -0.989 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -2.453 5.184 -2.134 1.00 0.00 H new ATOM 0 HG CYS A 59 -0.477 4.247 -0.027 1.00 0.00 H new ATOM 878 N GLN A 60 0.116 5.817 -4.961 1.00 0.00 N ATOM 879 CA GLN A 60 0.291 5.085 -6.210 1.00 0.00 C ATOM 880 C GLN A 60 1.209 3.883 -6.013 1.00 0.00 C ATOM 881 O GLN A 60 1.999 3.842 -5.071 1.00 0.00 O ATOM 882 CB GLN A 60 0.860 6.006 -7.290 1.00 0.00 C ATOM 883 CG GLN A 60 0.008 7.237 -7.552 1.00 0.00 C ATOM 884 CD GLN A 60 -1.063 6.993 -8.598 1.00 0.00 C ATOM 885 OE1 GLN A 60 -1.208 5.881 -9.107 1.00 0.00 O ATOM 886 NE2 GLN A 60 -1.820 8.034 -8.924 1.00 0.00 N ATOM 0 H GLN A 60 0.933 6.352 -4.668 1.00 0.00 H new ATOM 0 HA GLN A 60 -0.686 4.723 -6.530 1.00 0.00 H new ATOM 0 HB2 GLN A 60 1.860 6.323 -6.995 1.00 0.00 H new ATOM 0 HB3 GLN A 60 0.965 5.443 -8.217 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -0.463 7.553 -6.621 1.00 0.00 H new ATOM 0 HG3 GLN A 60 0.649 8.056 -7.878 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -1.665 8.937 -8.477 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -2.557 7.930 -9.622 1.00 0.00 H new ATOM 895 N ALA A 61 1.098 2.907 -6.908 1.00 0.00 N ATOM 896 CA ALA A 61 1.920 1.706 -6.833 1.00 0.00 C ATOM 897 C ALA A 61 2.142 1.105 -8.217 1.00 0.00 C ATOM 898 O ALA A 61 1.298 1.237 -9.104 1.00 0.00 O ATOM 899 CB ALA A 61 1.276 0.683 -5.909 1.00 0.00 C ATOM 0 H ALA A 61 0.447 2.925 -7.693 1.00 0.00 H new ATOM 0 HA ALA A 61 2.892 1.986 -6.427 1.00 0.00 H new ATOM 0 HB1 ALA A 61 1.901 -0.209 -5.862 1.00 0.00 H new ATOM 0 HB2 ALA A 61 1.175 1.108 -4.910 1.00 0.00 H new ATOM 0 HB3 ALA A 61 0.291 0.416 -6.292 1.00 0.00 H new ATOM 905 N ALA A 62 3.281 0.445 -8.396 1.00 0.00 N ATOM 906 CA ALA A 62 3.613 -0.176 -9.672 1.00 0.00 C ATOM 907 C ALA A 62 4.130 -1.597 -9.472 1.00 0.00 C ATOM 908 O ALA A 62 5.021 -1.835 -8.656 1.00 0.00 O ATOM 909 CB ALA A 62 4.641 0.662 -10.416 1.00 0.00 C ATOM 0 H ALA A 62 3.990 0.326 -7.673 1.00 0.00 H new ATOM 0 HA ALA A 62 2.703 -0.229 -10.270 1.00 0.00 H new ATOM 0 HB1 ALA A 62 4.879 0.186 -11.367 1.00 0.00 H new ATOM 0 HB2 ALA A 62 4.235 1.657 -10.600 1.00 0.00 H new ATOM 0 HB3 ALA A 62 5.547 0.745 -9.815 1.00 0.00 H new ATOM 915 N VAL A 63 3.566 -2.538 -10.222 1.00 0.00 N ATOM 916 CA VAL A 63 3.971 -3.936 -10.128 1.00 0.00 C ATOM 917 C VAL A 63 4.516 -4.441 -11.459 1.00 0.00 C ATOM 918 O VAL A 63 4.097 -4.010 -12.534 1.00 0.00 O ATOM 919 CB VAL A 63 2.796 -4.832 -9.694 1.00 0.00 C ATOM 920 CG1 VAL A 63 2.134 -4.276 -8.442 1.00 0.00 C ATOM 921 CG2 VAL A 63 1.787 -4.972 -10.823 1.00 0.00 C ATOM 0 H VAL A 63 2.827 -2.358 -10.902 1.00 0.00 H new ATOM 0 HA VAL A 63 4.756 -3.988 -9.374 1.00 0.00 H new ATOM 0 HB VAL A 63 3.185 -5.823 -9.461 1.00 0.00 H new ATOM 0 HG11 VAL A 63 1.306 -4.922 -8.151 1.00 0.00 H new ATOM 0 HG12 VAL A 63 2.863 -4.233 -7.633 1.00 0.00 H new ATOM 0 HG13 VAL A 63 1.758 -3.273 -8.644 1.00 0.00 H new ATOM 0 HG21 VAL A 63 0.964 -5.608 -10.498 1.00 0.00 H new ATOM 0 HG22 VAL A 63 1.401 -3.988 -11.090 1.00 0.00 H new ATOM 0 HG23 VAL A 63 2.272 -5.420 -11.691 1.00 0.00 H new ATOM 931 N PRO A 64 5.474 -5.377 -11.389 1.00 0.00 N ATOM 932 CA PRO A 64 6.097 -5.963 -12.579 1.00 0.00 C ATOM 933 C PRO A 64 5.139 -6.862 -13.353 1.00 0.00 C ATOM 934 O PRO A 64 4.294 -7.538 -12.765 1.00 0.00 O ATOM 935 CB PRO A 64 7.255 -6.784 -12.006 1.00 0.00 C ATOM 936 CG PRO A 64 6.836 -7.110 -10.614 1.00 0.00 C ATOM 937 CD PRO A 64 6.022 -5.937 -10.142 1.00 0.00 C ATOM 0 HA PRO A 64 6.409 -5.200 -13.292 1.00 0.00 H new ATOM 0 HB2 PRO A 64 7.426 -7.688 -12.590 1.00 0.00 H new ATOM 0 HB3 PRO A 64 8.186 -6.217 -12.017 1.00 0.00 H new ATOM 0 HG2 PRO A 64 6.249 -8.028 -10.588 1.00 0.00 H new ATOM 0 HG3 PRO A 64 7.703 -7.267 -9.972 1.00 0.00 H new ATOM 0 HD2 PRO A 64 5.231 -6.246 -9.459 1.00 0.00 H new ATOM 0 HD3 PRO A 64 6.636 -5.210 -9.611 1.00 0.00 H new ATOM 945 N LYS A 65 5.275 -6.865 -14.675 1.00 0.00 N ATOM 946 CA LYS A 65 4.422 -7.682 -15.530 1.00 0.00 C ATOM 947 C LYS A 65 4.066 -8.998 -14.846 1.00 0.00 C ATOM 948 O LYS A 65 2.894 -9.360 -14.747 1.00 0.00 O ATOM 949 CB LYS A 65 5.119 -7.960 -16.864 1.00 0.00 C ATOM 950 CG LYS A 65 4.878 -6.886 -17.911 1.00 0.00 C ATOM 951 CD LYS A 65 3.638 -7.182 -18.738 1.00 0.00 C ATOM 952 CE LYS A 65 2.383 -6.638 -18.073 1.00 0.00 C ATOM 953 NZ LYS A 65 1.220 -6.635 -19.003 1.00 0.00 N ATOM 0 H LYS A 65 5.968 -6.311 -15.178 1.00 0.00 H new ATOM 0 HA LYS A 65 3.501 -7.130 -15.716 1.00 0.00 H new ATOM 0 HB2 LYS A 65 6.191 -8.054 -16.692 1.00 0.00 H new ATOM 0 HB3 LYS A 65 4.774 -8.918 -17.252 1.00 0.00 H new ATOM 0 HG2 LYS A 65 4.768 -5.918 -17.422 1.00 0.00 H new ATOM 0 HG3 LYS A 65 5.746 -6.815 -18.567 1.00 0.00 H new ATOM 0 HD2 LYS A 65 3.746 -6.741 -19.729 1.00 0.00 H new ATOM 0 HD3 LYS A 65 3.540 -8.259 -18.877 1.00 0.00 H new ATOM 0 HE2 LYS A 65 2.146 -7.241 -17.197 1.00 0.00 H new ATOM 0 HE3 LYS A 65 2.569 -5.623 -17.721 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 0.384 -6.257 -18.513 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 1.436 -6.039 -19.827 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 1.026 -7.607 -19.319 1.00 0.00 H new ATOM 967 N SER A 66 5.086 -9.709 -14.374 1.00 0.00 N ATOM 968 CA SER A 66 4.881 -10.986 -13.701 1.00 0.00 C ATOM 969 C SER A 66 3.618 -10.953 -12.846 1.00 0.00 C ATOM 970 O SER A 66 2.797 -11.870 -12.894 1.00 0.00 O ATOM 971 CB SER A 66 6.091 -11.328 -12.830 1.00 0.00 C ATOM 972 OG SER A 66 6.003 -12.651 -12.332 1.00 0.00 O ATOM 0 H SER A 66 6.062 -9.422 -14.446 1.00 0.00 H new ATOM 0 HA SER A 66 4.763 -11.755 -14.464 1.00 0.00 H new ATOM 0 HB2 SER A 66 7.006 -11.215 -13.412 1.00 0.00 H new ATOM 0 HB3 SER A 66 6.154 -10.626 -11.998 1.00 0.00 H new ATOM 0 HG SER A 66 6.905 -13.016 -12.211 1.00 0.00 H new ATOM 978 N LEU A 67 3.468 -9.889 -12.064 1.00 0.00 N ATOM 979 CA LEU A 67 2.305 -9.735 -11.197 1.00 0.00 C ATOM 980 C LEU A 67 1.358 -8.670 -11.741 1.00 0.00 C ATOM 981 O LEU A 67 1.737 -7.866 -12.593 1.00 0.00 O ATOM 982 CB LEU A 67 2.747 -9.365 -9.780 1.00 0.00 C ATOM 983 CG LEU A 67 3.887 -10.198 -9.194 1.00 0.00 C ATOM 984 CD1 LEU A 67 4.404 -9.566 -7.910 1.00 0.00 C ATOM 985 CD2 LEU A 67 3.429 -11.626 -8.940 1.00 0.00 C ATOM 0 H LEU A 67 4.137 -9.121 -12.013 1.00 0.00 H new ATOM 0 HA LEU A 67 1.774 -10.687 -11.169 1.00 0.00 H new ATOM 0 HB2 LEU A 67 3.050 -8.318 -9.777 1.00 0.00 H new ATOM 0 HB3 LEU A 67 1.885 -9.449 -9.118 1.00 0.00 H new ATOM 0 HG LEU A 67 4.702 -10.223 -9.917 1.00 0.00 H new ATOM 0 HD11 LEU A 67 5.215 -10.172 -7.507 1.00 0.00 H new ATOM 0 HD12 LEU A 67 4.772 -8.562 -8.121 1.00 0.00 H new ATOM 0 HD13 LEU A 67 3.596 -9.510 -7.181 1.00 0.00 H new ATOM 0 HD21 LEU A 67 4.254 -12.204 -8.523 1.00 0.00 H new ATOM 0 HD22 LEU A 67 2.597 -11.621 -8.236 1.00 0.00 H new ATOM 0 HD23 LEU A 67 3.108 -12.077 -9.879 1.00 0.00 H new ATOM 997 N GLN A 68 0.127 -8.669 -11.241 1.00 0.00 N ATOM 998 CA GLN A 68 -0.873 -7.701 -11.676 1.00 0.00 C ATOM 999 C GLN A 68 -1.193 -6.711 -10.562 1.00 0.00 C ATOM 1000 O GLN A 68 -0.918 -6.969 -9.389 1.00 0.00 O ATOM 1001 CB GLN A 68 -2.149 -8.419 -12.119 1.00 0.00 C ATOM 1002 CG GLN A 68 -2.974 -7.631 -13.123 1.00 0.00 C ATOM 1003 CD GLN A 68 -4.291 -8.305 -13.455 1.00 0.00 C ATOM 1004 OE1 GLN A 68 -5.363 -7.739 -13.239 1.00 0.00 O ATOM 1005 NE2 GLN A 68 -4.217 -9.521 -13.983 1.00 0.00 N ATOM 0 H GLN A 68 -0.202 -9.327 -10.535 1.00 0.00 H new ATOM 0 HA GLN A 68 -0.463 -7.148 -12.521 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -1.881 -9.381 -12.557 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -2.762 -8.627 -11.242 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -3.170 -6.636 -12.724 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -2.397 -7.500 -14.038 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -3.307 -9.952 -14.145 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -5.070 -10.024 -14.227 1.00 0.00 H new ATOM 1014 N LEU A 69 -1.776 -5.576 -10.935 1.00 0.00 N ATOM 1015 CA LEU A 69 -2.133 -4.546 -9.967 1.00 0.00 C ATOM 1016 C LEU A 69 -3.461 -3.891 -10.334 1.00 0.00 C ATOM 1017 O LEU A 69 -3.715 -3.594 -11.501 1.00 0.00 O ATOM 1018 CB LEU A 69 -1.033 -3.486 -9.890 1.00 0.00 C ATOM 1019 CG LEU A 69 -1.258 -2.356 -8.885 1.00 0.00 C ATOM 1020 CD1 LEU A 69 -1.167 -2.882 -7.461 1.00 0.00 C ATOM 1021 CD2 LEU A 69 -0.252 -1.236 -9.108 1.00 0.00 C ATOM 0 H LEU A 69 -2.011 -5.347 -11.901 1.00 0.00 H new ATOM 0 HA LEU A 69 -2.240 -5.021 -8.992 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -0.094 -3.983 -9.644 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -0.911 -3.046 -10.880 1.00 0.00 H new ATOM 0 HG LEU A 69 -2.259 -1.953 -9.038 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -1.330 -2.064 -6.760 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -1.927 -3.648 -7.307 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -0.179 -3.312 -7.294 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -0.427 -0.440 -8.384 1.00 0.00 H new ATOM 0 HD22 LEU A 69 0.759 -1.625 -8.983 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -0.366 -0.840 -10.117 1.00 0.00 H new ATOM 1033 N GLN A 70 -4.303 -3.668 -9.330 1.00 0.00 N ATOM 1034 CA GLN A 70 -5.604 -3.047 -9.548 1.00 0.00 C ATOM 1035 C GLN A 70 -5.920 -2.043 -8.443 1.00 0.00 C ATOM 1036 O GLN A 70 -5.975 -2.397 -7.265 1.00 0.00 O ATOM 1037 CB GLN A 70 -6.698 -4.114 -9.611 1.00 0.00 C ATOM 1038 CG GLN A 70 -8.053 -3.571 -10.035 1.00 0.00 C ATOM 1039 CD GLN A 70 -8.169 -3.401 -11.537 1.00 0.00 C ATOM 1040 OE1 GLN A 70 -7.762 -2.379 -12.091 1.00 0.00 O ATOM 1041 NE2 GLN A 70 -8.727 -4.404 -12.206 1.00 0.00 N ATOM 0 H GLN A 70 -4.108 -3.908 -8.358 1.00 0.00 H new ATOM 0 HA GLN A 70 -5.570 -2.515 -10.499 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -6.394 -4.894 -10.309 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -6.794 -4.583 -8.632 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -8.835 -4.246 -9.688 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -8.223 -2.610 -9.550 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -9.050 -5.233 -11.707 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -8.832 -4.346 -13.219 1.00 0.00 H new ATOM 1050 N LEU A 71 -6.125 -0.789 -8.832 1.00 0.00 N ATOM 1051 CA LEU A 71 -6.436 0.267 -7.875 1.00 0.00 C ATOM 1052 C LEU A 71 -7.919 0.260 -7.518 1.00 0.00 C ATOM 1053 O LEU A 71 -8.769 0.564 -8.354 1.00 0.00 O ATOM 1054 CB LEU A 71 -6.043 1.631 -8.445 1.00 0.00 C ATOM 1055 CG LEU A 71 -5.833 2.750 -7.425 1.00 0.00 C ATOM 1056 CD1 LEU A 71 -4.855 3.784 -7.961 1.00 0.00 C ATOM 1057 CD2 LEU A 71 -7.161 3.403 -7.069 1.00 0.00 C ATOM 0 H LEU A 71 -6.081 -0.479 -9.803 1.00 0.00 H new ATOM 0 HA LEU A 71 -5.862 0.081 -6.967 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -5.123 1.512 -9.018 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -6.816 1.946 -9.146 1.00 0.00 H new ATOM 0 HG LEU A 71 -5.410 2.316 -6.519 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -4.718 4.573 -7.221 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -3.896 3.307 -8.165 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -5.249 4.214 -8.882 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -6.993 4.197 -6.342 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -7.612 3.824 -7.968 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -7.831 2.656 -6.642 1.00 0.00 H new ATOM 1069 N GLN A 72 -8.221 -0.086 -6.271 1.00 0.00 N ATOM 1070 CA GLN A 72 -9.601 -0.130 -5.804 1.00 0.00 C ATOM 1071 C GLN A 72 -10.036 1.228 -5.261 1.00 0.00 C ATOM 1072 O GLN A 72 -9.213 2.122 -5.068 1.00 0.00 O ATOM 1073 CB GLN A 72 -9.762 -1.200 -4.722 1.00 0.00 C ATOM 1074 CG GLN A 72 -11.211 -1.533 -4.406 1.00 0.00 C ATOM 1075 CD GLN A 72 -12.044 -1.755 -5.653 1.00 0.00 C ATOM 1076 OE1 GLN A 72 -12.604 -0.814 -6.216 1.00 0.00 O ATOM 1077 NE2 GLN A 72 -12.130 -3.005 -6.092 1.00 0.00 N ATOM 0 H GLN A 72 -7.529 -0.340 -5.566 1.00 0.00 H new ATOM 0 HA GLN A 72 -10.237 -0.382 -6.653 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -9.251 -2.108 -5.042 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -9.269 -0.861 -3.811 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -11.247 -2.428 -3.785 1.00 0.00 H new ATOM 0 HG3 GLN A 72 -11.647 -0.723 -3.822 1.00 0.00 H new ATOM 0 HE21 GLN A 72 -11.649 -3.755 -5.594 1.00 0.00 H new ATOM 0 HE22 GLN A 72 -12.677 -3.216 -6.927 1.00 0.00 H new ATOM 1086 N ALA A 73 -11.334 1.374 -5.019 1.00 0.00 N ATOM 1087 CA ALA A 73 -11.878 2.622 -4.497 1.00 0.00 C ATOM 1088 C ALA A 73 -11.500 2.816 -3.033 1.00 0.00 C ATOM 1089 O ALA A 73 -11.865 2.025 -2.162 1.00 0.00 O ATOM 1090 CB ALA A 73 -13.391 2.648 -4.662 1.00 0.00 C ATOM 0 H ALA A 73 -12.029 0.644 -5.176 1.00 0.00 H new ATOM 0 HA ALA A 73 -11.447 3.444 -5.068 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -13.784 3.585 -4.268 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -13.643 2.565 -5.719 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -13.831 1.813 -4.117 1.00 0.00 H new ATOM 1096 N PRO A 74 -10.751 3.892 -2.752 1.00 0.00 N ATOM 1097 CA PRO A 74 -10.308 4.215 -1.392 1.00 0.00 C ATOM 1098 C PRO A 74 -11.459 4.661 -0.497 1.00 0.00 C ATOM 1099 O PRO A 74 -12.623 4.606 -0.893 1.00 0.00 O ATOM 1100 CB PRO A 74 -9.320 5.365 -1.605 1.00 0.00 C ATOM 1101 CG PRO A 74 -9.742 5.994 -2.888 1.00 0.00 C ATOM 1102 CD PRO A 74 -10.281 4.878 -3.739 1.00 0.00 C ATOM 0 HA PRO A 74 -9.876 3.350 -0.888 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -9.360 6.079 -0.782 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -8.294 5.000 -1.661 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -10.502 6.756 -2.717 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -8.901 6.486 -3.377 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -11.091 5.219 -4.383 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -9.512 4.461 -4.389 1.00 0.00 H new ATOM 1110 N SER A 75 -11.126 5.103 0.711 1.00 0.00 N ATOM 1111 CA SER A 75 -12.133 5.555 1.664 1.00 0.00 C ATOM 1112 C SER A 75 -12.263 7.075 1.637 1.00 0.00 C ATOM 1113 O SER A 75 -13.348 7.620 1.832 1.00 0.00 O ATOM 1114 CB SER A 75 -11.775 5.088 3.076 1.00 0.00 C ATOM 1115 OG SER A 75 -12.741 5.523 4.017 1.00 0.00 O ATOM 0 H SER A 75 -10.167 5.158 1.053 1.00 0.00 H new ATOM 0 HA SER A 75 -13.090 5.120 1.377 1.00 0.00 H new ATOM 0 HB2 SER A 75 -11.707 4.000 3.096 1.00 0.00 H new ATOM 0 HB3 SER A 75 -10.794 5.474 3.352 1.00 0.00 H new ATOM 0 HG SER A 75 -12.490 5.211 4.911 1.00 0.00 H new ATOM 1121 N GLY A 76 -11.146 7.754 1.392 1.00 0.00 N ATOM 1122 CA GLY A 76 -11.155 9.204 1.343 1.00 0.00 C ATOM 1123 C GLY A 76 -9.762 9.796 1.423 1.00 0.00 C ATOM 1124 O GLY A 76 -8.971 9.421 2.287 1.00 0.00 O ATOM 0 H GLY A 76 -10.235 7.325 1.227 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -11.632 9.530 0.419 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -11.758 9.588 2.166 1.00 0.00 H new ATOM 1128 N ASN A 77 -9.461 10.722 0.519 1.00 0.00 N ATOM 1129 CA ASN A 77 -8.153 11.366 0.490 1.00 0.00 C ATOM 1130 C ASN A 77 -8.030 12.400 1.606 1.00 0.00 C ATOM 1131 O ASN A 77 -7.704 13.561 1.358 1.00 0.00 O ATOM 1132 CB ASN A 77 -7.919 12.033 -0.867 1.00 0.00 C ATOM 1133 CG ASN A 77 -7.589 11.029 -1.955 1.00 0.00 C ATOM 1134 OD1 ASN A 77 -7.882 9.840 -1.828 1.00 0.00 O ATOM 1135 ND2 ASN A 77 -6.974 11.505 -3.031 1.00 0.00 N ATOM 0 H ASN A 77 -10.105 11.043 -0.203 1.00 0.00 H new ATOM 0 HA ASN A 77 -7.395 10.598 0.645 1.00 0.00 H new ATOM 0 HB2 ASN A 77 -8.809 12.594 -1.152 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -7.104 12.752 -0.780 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -6.725 10.877 -3.796 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -6.751 12.498 -3.093 1.00 0.00 H new ATOM 1142 N THR A 78 -8.294 11.970 2.836 1.00 0.00 N ATOM 1143 CA THR A 78 -8.214 12.857 3.989 1.00 0.00 C ATOM 1144 C THR A 78 -8.005 12.067 5.276 1.00 0.00 C ATOM 1145 O THR A 78 -8.657 11.048 5.504 1.00 0.00 O ATOM 1146 CB THR A 78 -9.485 13.715 4.127 1.00 0.00 C ATOM 1147 OG1 THR A 78 -9.670 14.510 2.950 1.00 0.00 O ATOM 1148 CG2 THR A 78 -9.398 14.619 5.347 1.00 0.00 C ATOM 0 H THR A 78 -8.565 11.012 3.059 1.00 0.00 H new ATOM 0 HA THR A 78 -7.359 13.513 3.825 1.00 0.00 H new ATOM 0 HB THR A 78 -10.337 13.046 4.250 1.00 0.00 H new ATOM 0 HG1 THR A 78 -8.920 14.365 2.336 1.00 0.00 H new ATOM 0 HG21 THR A 78 -10.307 15.215 5.424 1.00 0.00 H new ATOM 0 HG22 THR A 78 -9.287 14.010 6.244 1.00 0.00 H new ATOM 0 HG23 THR A 78 -8.537 15.281 5.249 1.00 0.00 H new ATOM 1156 N VAL A 79 -7.093 12.545 6.117 1.00 0.00 N ATOM 1157 CA VAL A 79 -6.800 11.885 7.383 1.00 0.00 C ATOM 1158 C VAL A 79 -6.784 12.885 8.534 1.00 0.00 C ATOM 1159 O VAL A 79 -6.114 13.917 8.483 1.00 0.00 O ATOM 1160 CB VAL A 79 -5.445 11.153 7.334 1.00 0.00 C ATOM 1161 CG1 VAL A 79 -5.244 10.317 8.589 1.00 0.00 C ATOM 1162 CG2 VAL A 79 -5.352 10.288 6.087 1.00 0.00 C ATOM 0 H VAL A 79 -6.544 13.387 5.944 1.00 0.00 H new ATOM 0 HA VAL A 79 -7.593 11.156 7.551 1.00 0.00 H new ATOM 0 HB VAL A 79 -4.651 11.898 7.292 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -4.282 9.807 8.537 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -5.264 10.965 9.465 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -6.042 9.578 8.666 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -4.389 9.778 6.069 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -6.153 9.549 6.096 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -5.447 10.916 5.201 1.00 0.00 H new ATOM 1172 N PRO A 80 -7.538 12.574 9.598 1.00 0.00 N ATOM 1173 CA PRO A 80 -7.627 13.432 10.783 1.00 0.00 C ATOM 1174 C PRO A 80 -6.329 13.450 11.585 1.00 0.00 C ATOM 1175 O PRO A 80 -5.740 12.404 11.853 1.00 0.00 O ATOM 1176 CB PRO A 80 -8.751 12.792 11.601 1.00 0.00 C ATOM 1177 CG PRO A 80 -8.763 11.364 11.177 1.00 0.00 C ATOM 1178 CD PRO A 80 -8.361 11.360 9.728 1.00 0.00 C ATOM 0 HA PRO A 80 -7.813 14.473 10.519 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -8.565 12.886 12.671 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -9.709 13.272 11.401 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -8.070 10.773 11.776 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -9.752 10.926 11.309 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -7.798 10.463 9.470 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -9.230 11.391 9.070 1.00 0.00 H new ATOM 1186 N ALA A 81 -5.891 14.646 11.965 1.00 0.00 N ATOM 1187 CA ALA A 81 -4.664 14.799 12.738 1.00 0.00 C ATOM 1188 C ALA A 81 -4.903 14.492 14.212 1.00 0.00 C ATOM 1189 O ALA A 81 -3.987 14.582 15.030 1.00 0.00 O ATOM 1190 CB ALA A 81 -4.109 16.206 12.573 1.00 0.00 C ATOM 0 H ALA A 81 -6.367 15.522 11.750 1.00 0.00 H new ATOM 0 HA ALA A 81 -3.933 14.085 12.359 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -3.193 16.306 13.155 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -3.892 16.391 11.521 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -4.844 16.930 12.924 1.00 0.00 H new ATOM 1196 N ARG A 82 -6.138 14.131 14.544 1.00 0.00 N ATOM 1197 CA ARG A 82 -6.497 13.813 15.921 1.00 0.00 C ATOM 1198 C ARG A 82 -6.706 12.311 16.095 1.00 0.00 C ATOM 1199 O ARG A 82 -7.639 11.879 16.770 1.00 0.00 O ATOM 1200 CB ARG A 82 -7.764 14.566 16.328 1.00 0.00 C ATOM 1201 CG ARG A 82 -7.558 16.063 16.491 1.00 0.00 C ATOM 1202 CD ARG A 82 -7.675 16.790 15.160 1.00 0.00 C ATOM 1203 NE ARG A 82 -7.891 18.223 15.337 1.00 0.00 N ATOM 1204 CZ ARG A 82 -7.665 19.123 14.386 1.00 0.00 C ATOM 1205 NH1 ARG A 82 -7.220 18.739 13.197 1.00 0.00 N ATOM 1206 NH2 ARG A 82 -7.885 20.410 14.622 1.00 0.00 N ATOM 0 H ARG A 82 -6.907 14.051 13.878 1.00 0.00 H new ATOM 0 HA ARG A 82 -5.675 14.125 16.565 1.00 0.00 H new ATOM 0 HB2 ARG A 82 -8.536 14.394 15.578 1.00 0.00 H new ATOM 0 HB3 ARG A 82 -8.135 14.155 17.267 1.00 0.00 H new ATOM 0 HG2 ARG A 82 -8.296 16.459 17.189 1.00 0.00 H new ATOM 0 HG3 ARG A 82 -6.576 16.251 16.924 1.00 0.00 H new ATOM 0 HD2 ARG A 82 -6.767 16.629 14.578 1.00 0.00 H new ATOM 0 HD3 ARG A 82 -8.500 16.367 14.587 1.00 0.00 H new ATOM 0 HE ARG A 82 -8.234 18.551 16.240 1.00 0.00 H new ATOM 0 HH11 ARG A 82 -7.050 17.751 13.011 1.00 0.00 H new ATOM 0 HH12 ARG A 82 -7.047 19.432 12.469 1.00 0.00 H new ATOM 0 HH21 ARG A 82 -8.228 20.710 15.535 1.00 0.00 H new ATOM 0 HH22 ARG A 82 -7.711 21.100 13.891 1.00 0.00 H new ATOM 1220 N GLY A 83 -5.831 11.521 15.481 1.00 0.00 N ATOM 1221 CA GLY A 83 -5.938 10.077 15.579 1.00 0.00 C ATOM 1222 C GLY A 83 -7.342 9.580 15.301 1.00 0.00 C ATOM 1223 O GLY A 83 -8.029 9.100 16.202 1.00 0.00 O ATOM 0 H GLY A 83 -5.050 11.855 14.917 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -5.246 9.616 14.874 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -5.635 9.760 16.577 1.00 0.00 H new ATOM 1227 N GLY A 84 -7.772 9.695 14.048 1.00 0.00 N ATOM 1228 CA GLY A 84 -9.102 9.250 13.676 1.00 0.00 C ATOM 1229 C GLY A 84 -9.087 7.920 12.949 1.00 0.00 C ATOM 1230 O GLY A 84 -8.813 6.880 13.549 1.00 0.00 O ATOM 0 H GLY A 84 -7.223 10.089 13.284 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -9.717 9.164 14.572 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -9.569 10.003 13.041 1.00 0.00 H new ATOM 1234 N LEU A 85 -9.384 7.951 11.655 1.00 0.00 N ATOM 1235 CA LEU A 85 -9.405 6.738 10.845 1.00 0.00 C ATOM 1236 C LEU A 85 -8.504 6.883 9.623 1.00 0.00 C ATOM 1237 O LEU A 85 -8.698 7.759 8.780 1.00 0.00 O ATOM 1238 CB LEU A 85 -10.835 6.419 10.405 1.00 0.00 C ATOM 1239 CG LEU A 85 -11.865 6.274 11.526 1.00 0.00 C ATOM 1240 CD1 LEU A 85 -12.403 7.636 11.936 1.00 0.00 C ATOM 1241 CD2 LEU A 85 -13.001 5.360 11.090 1.00 0.00 C ATOM 0 H LEU A 85 -9.614 8.803 11.144 1.00 0.00 H new ATOM 0 HA LEU A 85 -9.028 5.917 11.455 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -11.170 7.206 9.730 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -10.819 5.492 9.831 1.00 0.00 H new ATOM 0 HG LEU A 85 -11.374 5.825 12.389 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -13.135 7.513 12.735 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -11.582 8.260 12.289 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -12.879 8.112 11.079 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -13.725 5.268 11.900 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -13.490 5.781 10.212 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -12.602 4.375 10.846 1.00 0.00 H new ATOM 1253 N PRO A 86 -7.497 6.003 9.521 1.00 0.00 N ATOM 1254 CA PRO A 86 -6.549 6.011 8.403 1.00 0.00 C ATOM 1255 C PRO A 86 -7.193 5.573 7.093 1.00 0.00 C ATOM 1256 O PRO A 86 -8.325 5.088 7.079 1.00 0.00 O ATOM 1257 CB PRO A 86 -5.481 5.004 8.837 1.00 0.00 C ATOM 1258 CG PRO A 86 -6.184 4.089 9.780 1.00 0.00 C ATOM 1259 CD PRO A 86 -7.207 4.932 10.489 1.00 0.00 C ATOM 0 HA PRO A 86 -6.159 7.010 8.207 1.00 0.00 H new ATOM 0 HB2 PRO A 86 -5.080 4.460 7.982 1.00 0.00 H new ATOM 0 HB3 PRO A 86 -4.641 5.502 9.321 1.00 0.00 H new ATOM 0 HG2 PRO A 86 -6.659 3.267 9.245 1.00 0.00 H new ATOM 0 HG3 PRO A 86 -5.484 3.646 10.489 1.00 0.00 H new ATOM 0 HD2 PRO A 86 -8.101 4.358 10.733 1.00 0.00 H new ATOM 0 HD3 PRO A 86 -6.819 5.332 11.426 1.00 0.00 H new ATOM 1267 N ILE A 87 -6.467 5.748 5.994 1.00 0.00 N ATOM 1268 CA ILE A 87 -6.968 5.369 4.679 1.00 0.00 C ATOM 1269 C ILE A 87 -6.532 3.955 4.311 1.00 0.00 C ATOM 1270 O ILE A 87 -5.390 3.562 4.551 1.00 0.00 O ATOM 1271 CB ILE A 87 -6.484 6.343 3.589 1.00 0.00 C ATOM 1272 CG1 ILE A 87 -6.854 7.781 3.959 1.00 0.00 C ATOM 1273 CG2 ILE A 87 -7.079 5.968 2.240 1.00 0.00 C ATOM 1274 CD1 ILE A 87 -6.107 8.823 3.156 1.00 0.00 C ATOM 0 H ILE A 87 -5.530 6.150 5.988 1.00 0.00 H new ATOM 0 HA ILE A 87 -8.056 5.409 4.733 1.00 0.00 H new ATOM 0 HB ILE A 87 -5.399 6.273 3.517 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -7.925 7.921 3.813 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -6.653 7.938 5.019 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -6.727 6.666 1.480 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -6.770 4.957 1.975 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -8.167 6.012 2.297 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -6.419 9.818 3.472 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -5.035 8.710 3.321 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -6.327 8.693 2.096 1.00 0.00 H new ATOM 1286 N THR A 88 -7.450 3.192 3.724 1.00 0.00 N ATOM 1287 CA THR A 88 -7.160 1.822 3.321 1.00 0.00 C ATOM 1288 C THR A 88 -7.609 1.564 1.887 1.00 0.00 C ATOM 1289 O THR A 88 -8.781 1.739 1.554 1.00 0.00 O ATOM 1290 CB THR A 88 -7.847 0.806 4.253 1.00 0.00 C ATOM 1291 OG1 THR A 88 -9.262 1.026 4.260 1.00 0.00 O ATOM 1292 CG2 THR A 88 -7.304 0.917 5.670 1.00 0.00 C ATOM 0 H THR A 88 -8.400 3.500 3.518 1.00 0.00 H new ATOM 0 HA THR A 88 -6.080 1.694 3.389 1.00 0.00 H new ATOM 0 HB THR A 88 -7.638 -0.196 3.879 1.00 0.00 H new ATOM 0 HG1 THR A 88 -9.555 1.300 3.366 1.00 0.00 H new ATOM 0 HG21 THR A 88 -7.804 0.190 6.309 1.00 0.00 H new ATOM 0 HG22 THR A 88 -6.232 0.719 5.665 1.00 0.00 H new ATOM 0 HG23 THR A 88 -7.486 1.922 6.052 1.00 0.00 H new ATOM 1300 N GLN A 89 -6.670 1.146 1.044 1.00 0.00 N ATOM 1301 CA GLN A 89 -6.971 0.864 -0.354 1.00 0.00 C ATOM 1302 C GLN A 89 -6.709 -0.603 -0.682 1.00 0.00 C ATOM 1303 O GLN A 89 -5.682 -1.162 -0.296 1.00 0.00 O ATOM 1304 CB GLN A 89 -6.135 1.760 -1.268 1.00 0.00 C ATOM 1305 CG GLN A 89 -6.573 1.723 -2.724 1.00 0.00 C ATOM 1306 CD GLN A 89 -6.120 2.943 -3.501 1.00 0.00 C ATOM 1307 OE1 GLN A 89 -7.016 3.910 -3.660 1.00 0.00 O flip ATOM 1308 NE2 GLN A 89 -4.977 3.016 -3.954 1.00 0.00 N flip ATOM 0 H GLN A 89 -5.695 0.995 1.305 1.00 0.00 H new ATOM 0 HA GLN A 89 -8.028 1.072 -0.521 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -6.191 2.787 -0.906 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -5.090 1.456 -1.204 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -6.173 0.826 -3.197 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -7.660 1.650 -2.771 1.00 0.00 H new ATOM 0 HE21 GLN A 89 -4.321 2.249 -3.808 1.00 0.00 H new ATOM 0 HE22 GLN A 89 -4.687 3.843 -4.475 1.00 0.00 H new ATOM 1317 N LEU A 90 -7.644 -1.220 -1.396 1.00 0.00 N ATOM 1318 CA LEU A 90 -7.514 -2.623 -1.776 1.00 0.00 C ATOM 1319 C LEU A 90 -6.768 -2.761 -3.099 1.00 0.00 C ATOM 1320 O LEU A 90 -6.939 -1.949 -4.009 1.00 0.00 O ATOM 1321 CB LEU A 90 -8.895 -3.271 -1.886 1.00 0.00 C ATOM 1322 CG LEU A 90 -8.969 -4.558 -2.709 1.00 0.00 C ATOM 1323 CD1 LEU A 90 -8.280 -5.699 -1.977 1.00 0.00 C ATOM 1324 CD2 LEU A 90 -10.417 -4.914 -3.014 1.00 0.00 C ATOM 0 H LEU A 90 -8.500 -0.772 -1.723 1.00 0.00 H new ATOM 0 HA LEU A 90 -6.941 -3.133 -1.002 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -9.255 -3.486 -0.880 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -9.581 -2.545 -2.322 1.00 0.00 H new ATOM 0 HG LEU A 90 -8.450 -4.393 -3.653 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -8.342 -6.607 -2.577 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -7.233 -5.445 -1.811 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -8.770 -5.864 -1.017 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -10.450 -5.832 -3.600 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -10.960 -5.060 -2.080 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -10.879 -4.105 -3.580 1.00 0.00 H new ATOM 1336 N PHE A 91 -5.941 -3.797 -3.200 1.00 0.00 N ATOM 1337 CA PHE A 91 -5.169 -4.044 -4.413 1.00 0.00 C ATOM 1338 C PHE A 91 -5.180 -5.527 -4.772 1.00 0.00 C ATOM 1339 O PHE A 91 -4.650 -6.358 -4.035 1.00 0.00 O ATOM 1340 CB PHE A 91 -3.729 -3.561 -4.232 1.00 0.00 C ATOM 1341 CG PHE A 91 -3.622 -2.097 -3.916 1.00 0.00 C ATOM 1342 CD1 PHE A 91 -3.709 -1.649 -2.607 1.00 0.00 C ATOM 1343 CD2 PHE A 91 -3.435 -1.168 -4.926 1.00 0.00 C ATOM 1344 CE1 PHE A 91 -3.612 -0.302 -2.313 1.00 0.00 C ATOM 1345 CE2 PHE A 91 -3.337 0.181 -4.638 1.00 0.00 C ATOM 1346 CZ PHE A 91 -3.425 0.614 -3.330 1.00 0.00 C ATOM 0 H PHE A 91 -5.788 -4.479 -2.457 1.00 0.00 H new ATOM 0 HA PHE A 91 -5.631 -3.488 -5.229 1.00 0.00 H new ATOM 0 HB2 PHE A 91 -3.261 -4.132 -3.431 1.00 0.00 H new ATOM 0 HB3 PHE A 91 -3.167 -3.770 -5.142 1.00 0.00 H new ATOM 0 HD1 PHE A 91 -3.854 -2.361 -1.808 1.00 0.00 H new ATOM 0 HD2 PHE A 91 -3.365 -1.501 -5.951 1.00 0.00 H new ATOM 0 HE1 PHE A 91 -3.682 0.034 -1.289 1.00 0.00 H new ATOM 0 HE2 PHE A 91 -3.192 0.895 -5.435 1.00 0.00 H new ATOM 0 HZ PHE A 91 -3.348 1.667 -3.102 1.00 0.00 H new ATOM 1356 N ARG A 92 -5.787 -5.850 -5.909 1.00 0.00 N ATOM 1357 CA ARG A 92 -5.868 -7.232 -6.366 1.00 0.00 C ATOM 1358 C ARG A 92 -4.672 -7.585 -7.245 1.00 0.00 C ATOM 1359 O ARG A 92 -4.611 -7.197 -8.412 1.00 0.00 O ATOM 1360 CB ARG A 92 -7.168 -7.460 -7.139 1.00 0.00 C ATOM 1361 CG ARG A 92 -8.387 -7.628 -6.246 1.00 0.00 C ATOM 1362 CD ARG A 92 -9.579 -8.162 -7.025 1.00 0.00 C ATOM 1363 NE ARG A 92 -10.222 -7.122 -7.823 1.00 0.00 N ATOM 1364 CZ ARG A 92 -11.362 -7.300 -8.482 1.00 0.00 C ATOM 1365 NH1 ARG A 92 -11.981 -8.471 -8.437 1.00 0.00 N ATOM 1366 NH2 ARG A 92 -11.885 -6.304 -9.186 1.00 0.00 N ATOM 0 H ARG A 92 -6.230 -5.173 -6.531 1.00 0.00 H new ATOM 0 HA ARG A 92 -5.856 -7.880 -5.489 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -7.334 -6.618 -7.811 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -7.059 -8.348 -7.762 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -8.150 -8.310 -5.429 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -8.645 -6.669 -5.796 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -9.252 -8.970 -7.679 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -10.304 -8.587 -6.331 1.00 0.00 H new ATOM 0 HE ARG A 92 -9.771 -6.209 -7.878 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -11.582 -9.238 -7.896 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -12.856 -8.605 -8.944 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -11.412 -5.401 -9.221 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -12.760 -6.441 -9.692 1.00 0.00 H new ATOM 1380 N ILE A 93 -3.724 -8.323 -6.676 1.00 0.00 N ATOM 1381 CA ILE A 93 -2.531 -8.729 -7.408 1.00 0.00 C ATOM 1382 C ILE A 93 -2.581 -10.211 -7.762 1.00 0.00 C ATOM 1383 O ILE A 93 -3.103 -11.025 -6.999 1.00 0.00 O ATOM 1384 CB ILE A 93 -1.251 -8.448 -6.599 1.00 0.00 C ATOM 1385 CG1 ILE A 93 -1.056 -6.941 -6.418 1.00 0.00 C ATOM 1386 CG2 ILE A 93 -0.043 -9.066 -7.286 1.00 0.00 C ATOM 1387 CD1 ILE A 93 -0.299 -6.576 -5.160 1.00 0.00 C ATOM 0 H ILE A 93 -3.759 -8.651 -5.711 1.00 0.00 H new ATOM 0 HA ILE A 93 -2.508 -8.140 -8.325 1.00 0.00 H new ATOM 0 HB ILE A 93 -1.355 -8.902 -5.614 1.00 0.00 H new ATOM 0 HG12 ILE A 93 -0.521 -6.546 -7.282 1.00 0.00 H new ATOM 0 HG13 ILE A 93 -2.032 -6.456 -6.398 1.00 0.00 H new ATOM 0 HG21 ILE A 93 0.854 -8.858 -6.702 1.00 0.00 H new ATOM 0 HG22 ILE A 93 -0.182 -10.144 -7.366 1.00 0.00 H new ATOM 0 HG23 ILE A 93 0.067 -8.639 -8.283 1.00 0.00 H new ATOM 0 HD11 ILE A 93 -0.198 -5.492 -5.097 1.00 0.00 H new ATOM 0 HD12 ILE A 93 -0.843 -6.941 -4.289 1.00 0.00 H new ATOM 0 HD13 ILE A 93 0.691 -7.031 -5.186 1.00 0.00 H new ATOM 1399 N LEU A 94 -2.032 -10.556 -8.922 1.00 0.00 N ATOM 1400 CA LEU A 94 -2.012 -11.942 -9.377 1.00 0.00 C ATOM 1401 C LEU A 94 -0.601 -12.518 -9.304 1.00 0.00 C ATOM 1402 O LEU A 94 0.340 -11.952 -9.859 1.00 0.00 O ATOM 1403 CB LEU A 94 -2.540 -12.037 -10.809 1.00 0.00 C ATOM 1404 CG LEU A 94 -4.046 -12.258 -10.955 1.00 0.00 C ATOM 1405 CD1 LEU A 94 -4.427 -13.659 -10.502 1.00 0.00 C ATOM 1406 CD2 LEU A 94 -4.818 -11.212 -10.164 1.00 0.00 C ATOM 0 H LEU A 94 -1.595 -9.895 -9.564 1.00 0.00 H new ATOM 0 HA LEU A 94 -2.657 -12.524 -8.719 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -2.275 -11.120 -11.334 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -2.023 -12.854 -11.312 1.00 0.00 H new ATOM 0 HG LEU A 94 -4.308 -12.155 -12.008 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -5.502 -13.798 -10.613 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -3.901 -14.394 -11.112 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -4.151 -13.791 -9.456 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -5.888 -11.385 -10.280 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -4.551 -11.283 -9.110 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -4.569 -10.218 -10.535 1.00 0.00 H new ATOM 1418 N ASN A 95 -0.464 -13.647 -8.617 1.00 0.00 N ATOM 1419 CA ASN A 95 0.832 -14.301 -8.473 1.00 0.00 C ATOM 1420 C ASN A 95 0.744 -15.774 -8.862 1.00 0.00 C ATOM 1421 O ASN A 95 1.259 -16.655 -8.174 1.00 0.00 O ATOM 1422 CB ASN A 95 1.335 -14.171 -7.034 1.00 0.00 C ATOM 1423 CG ASN A 95 2.605 -14.965 -6.792 1.00 0.00 C ATOM 1424 OD1 ASN A 95 3.724 -14.457 -7.293 1.00 0.00 O flip ATOM 1425 ND2 ASN A 95 2.578 -16.022 -6.161 1.00 0.00 N flip ATOM 0 H ASN A 95 -1.234 -14.128 -8.151 1.00 0.00 H new ATOM 0 HA ASN A 95 1.537 -13.808 -9.143 1.00 0.00 H new ATOM 0 HB2 ASN A 95 1.518 -13.120 -6.809 1.00 0.00 H new ATOM 0 HB3 ASN A 95 0.560 -14.513 -6.349 1.00 0.00 H new ATOM 0 HD21 ASN A 95 1.694 -16.374 -5.794 1.00 0.00 H new ATOM 0 HD22 ASN A 95 3.440 -16.545 -6.005 1.00 0.00 H new ATOM 1432 N PRO A 96 0.077 -16.048 -9.993 1.00 0.00 N ATOM 1433 CA PRO A 96 -0.094 -17.413 -10.500 1.00 0.00 C ATOM 1434 C PRO A 96 1.213 -18.009 -11.011 1.00 0.00 C ATOM 1435 O PRO A 96 1.315 -19.216 -11.225 1.00 0.00 O ATOM 1436 CB PRO A 96 -1.090 -17.242 -11.650 1.00 0.00 C ATOM 1437 CG PRO A 96 -0.914 -15.832 -12.097 1.00 0.00 C ATOM 1438 CD PRO A 96 -0.563 -15.047 -10.863 1.00 0.00 C ATOM 0 HA PRO A 96 -0.433 -18.097 -9.722 1.00 0.00 H new ATOM 0 HB2 PRO A 96 -0.884 -17.942 -12.459 1.00 0.00 H new ATOM 0 HB3 PRO A 96 -2.112 -17.428 -11.320 1.00 0.00 H new ATOM 0 HG2 PRO A 96 -0.125 -15.756 -12.846 1.00 0.00 H new ATOM 0 HG3 PRO A 96 -1.827 -15.451 -12.555 1.00 0.00 H new ATOM 0 HD2 PRO A 96 0.112 -14.222 -11.090 1.00 0.00 H new ATOM 0 HD3 PRO A 96 -1.448 -14.616 -10.396 1.00 0.00 H new ATOM 1446 N ASN A 97 2.212 -17.153 -11.206 1.00 0.00 N ATOM 1447 CA ASN A 97 3.514 -17.596 -11.693 1.00 0.00 C ATOM 1448 C ASN A 97 4.434 -17.959 -10.531 1.00 0.00 C ATOM 1449 O ASN A 97 5.534 -18.475 -10.734 1.00 0.00 O ATOM 1450 CB ASN A 97 4.159 -16.504 -12.548 1.00 0.00 C ATOM 1451 CG ASN A 97 3.345 -16.183 -13.787 1.00 0.00 C ATOM 1452 OD1 ASN A 97 2.991 -15.029 -14.029 1.00 0.00 O ATOM 1453 ND2 ASN A 97 3.044 -17.206 -14.579 1.00 0.00 N ATOM 0 H ASN A 97 2.145 -16.150 -11.034 1.00 0.00 H new ATOM 0 HA ASN A 97 3.363 -18.485 -12.305 1.00 0.00 H new ATOM 0 HB2 ASN A 97 4.277 -15.600 -11.950 1.00 0.00 H new ATOM 0 HB3 ASN A 97 5.158 -16.822 -12.845 1.00 0.00 H new ATOM 0 HD21 ASN A 97 2.498 -17.051 -15.427 1.00 0.00 H new ATOM 0 HD22 ASN A 97 3.358 -18.146 -14.339 1.00 0.00 H new ATOM 1460 N LYS A 98 3.977 -17.686 -9.314 1.00 0.00 N ATOM 1461 CA LYS A 98 4.757 -17.985 -8.119 1.00 0.00 C ATOM 1462 C LYS A 98 6.131 -17.326 -8.187 1.00 0.00 C ATOM 1463 O LYS A 98 7.150 -17.964 -7.922 1.00 0.00 O ATOM 1464 CB LYS A 98 4.913 -19.498 -7.952 1.00 0.00 C ATOM 1465 CG LYS A 98 3.623 -20.204 -7.574 1.00 0.00 C ATOM 1466 CD LYS A 98 3.867 -21.662 -7.222 1.00 0.00 C ATOM 1467 CE LYS A 98 4.152 -22.495 -8.463 1.00 0.00 C ATOM 1468 NZ LYS A 98 4.288 -23.942 -8.140 1.00 0.00 N ATOM 0 H LYS A 98 3.070 -17.258 -9.129 1.00 0.00 H new ATOM 0 HA LYS A 98 4.223 -17.584 -7.257 1.00 0.00 H new ATOM 0 HB2 LYS A 98 5.289 -19.921 -8.883 1.00 0.00 H new ATOM 0 HB3 LYS A 98 5.663 -19.695 -7.186 1.00 0.00 H new ATOM 0 HG2 LYS A 98 3.164 -19.696 -6.726 1.00 0.00 H new ATOM 0 HG3 LYS A 98 2.917 -20.142 -8.402 1.00 0.00 H new ATOM 0 HD2 LYS A 98 4.708 -21.735 -6.532 1.00 0.00 H new ATOM 0 HD3 LYS A 98 2.995 -22.063 -6.705 1.00 0.00 H new ATOM 0 HE2 LYS A 98 3.347 -22.358 -9.185 1.00 0.00 H new ATOM 0 HE3 LYS A 98 5.068 -22.141 -8.936 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 4.482 -24.476 -9.011 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 5.072 -24.076 -7.470 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 3.405 -24.287 -7.712 1.00 0.00 H new ATOM 1482 N ALA A 99 6.151 -16.045 -8.543 1.00 0.00 N ATOM 1483 CA ALA A 99 7.400 -15.300 -8.642 1.00 0.00 C ATOM 1484 C ALA A 99 7.402 -14.104 -7.695 1.00 0.00 C ATOM 1485 O ALA A 99 6.759 -13.084 -7.944 1.00 0.00 O ATOM 1486 CB ALA A 99 7.629 -14.842 -10.075 1.00 0.00 C ATOM 0 H ALA A 99 5.317 -15.502 -8.767 1.00 0.00 H new ATOM 0 HA ALA A 99 8.214 -15.963 -8.350 1.00 0.00 H new ATOM 0 HB1 ALA A 99 8.565 -14.287 -10.134 1.00 0.00 H new ATOM 0 HB2 ALA A 99 7.680 -15.711 -10.731 1.00 0.00 H new ATOM 0 HB3 ALA A 99 6.806 -14.199 -10.388 1.00 0.00 H new ATOM 1492 N PRO A 100 8.141 -14.230 -6.583 1.00 0.00 N ATOM 1493 CA PRO A 100 8.244 -13.169 -5.577 1.00 0.00 C ATOM 1494 C PRO A 100 9.033 -11.966 -6.082 1.00 0.00 C ATOM 1495 O PRO A 100 10.262 -12.003 -6.158 1.00 0.00 O ATOM 1496 CB PRO A 100 8.985 -13.847 -4.421 1.00 0.00 C ATOM 1497 CG PRO A 100 9.764 -14.944 -5.062 1.00 0.00 C ATOM 1498 CD PRO A 100 8.933 -15.418 -6.223 1.00 0.00 C ATOM 0 HA PRO A 100 7.267 -12.773 -5.301 1.00 0.00 H new ATOM 0 HB2 PRO A 100 9.640 -13.145 -3.905 1.00 0.00 H new ATOM 0 HB3 PRO A 100 8.288 -14.237 -3.679 1.00 0.00 H new ATOM 0 HG2 PRO A 100 10.737 -14.586 -5.399 1.00 0.00 H new ATOM 0 HG3 PRO A 100 9.949 -15.755 -4.357 1.00 0.00 H new ATOM 0 HD2 PRO A 100 9.556 -15.752 -7.053 1.00 0.00 H new ATOM 0 HD3 PRO A 100 8.295 -16.257 -5.945 1.00 0.00 H new ATOM 1506 N LEU A 101 8.319 -10.899 -6.426 1.00 0.00 N ATOM 1507 CA LEU A 101 8.953 -9.683 -6.924 1.00 0.00 C ATOM 1508 C LEU A 101 8.787 -8.537 -5.931 1.00 0.00 C ATOM 1509 O LEU A 101 8.245 -8.720 -4.841 1.00 0.00 O ATOM 1510 CB LEU A 101 8.357 -9.291 -8.277 1.00 0.00 C ATOM 1511 CG LEU A 101 9.039 -9.889 -9.509 1.00 0.00 C ATOM 1512 CD1 LEU A 101 8.041 -10.052 -10.645 1.00 0.00 C ATOM 1513 CD2 LEU A 101 10.209 -9.020 -9.945 1.00 0.00 C ATOM 0 H LEU A 101 7.302 -10.851 -6.369 1.00 0.00 H new ATOM 0 HA LEU A 101 10.018 -9.882 -7.047 1.00 0.00 H new ATOM 0 HB2 LEU A 101 7.308 -9.585 -8.288 1.00 0.00 H new ATOM 0 HB3 LEU A 101 8.384 -8.205 -8.363 1.00 0.00 H new ATOM 0 HG LEU A 101 9.423 -10.875 -9.246 1.00 0.00 H new ATOM 0 HD11 LEU A 101 8.544 -10.479 -11.513 1.00 0.00 H new ATOM 0 HD12 LEU A 101 7.236 -10.716 -10.330 1.00 0.00 H new ATOM 0 HD13 LEU A 101 7.627 -9.079 -10.908 1.00 0.00 H new ATOM 0 HD21 LEU A 101 10.682 -9.461 -10.823 1.00 0.00 H new ATOM 0 HD22 LEU A 101 9.849 -8.021 -10.190 1.00 0.00 H new ATOM 0 HD23 LEU A 101 10.936 -8.955 -9.135 1.00 0.00 H new ATOM 1525 N ARG A 102 9.254 -7.354 -6.317 1.00 0.00 N ATOM 1526 CA ARG A 102 9.156 -6.178 -5.462 1.00 0.00 C ATOM 1527 C ARG A 102 8.014 -5.272 -5.912 1.00 0.00 C ATOM 1528 O ARG A 102 7.448 -5.457 -6.990 1.00 0.00 O ATOM 1529 CB ARG A 102 10.473 -5.400 -5.475 1.00 0.00 C ATOM 1530 CG ARG A 102 10.800 -4.778 -6.823 1.00 0.00 C ATOM 1531 CD ARG A 102 11.675 -3.544 -6.670 1.00 0.00 C ATOM 1532 NE ARG A 102 12.336 -3.183 -7.921 1.00 0.00 N ATOM 1533 CZ ARG A 102 11.707 -2.633 -8.953 1.00 0.00 C ATOM 1534 NH1 ARG A 102 10.407 -2.380 -8.884 1.00 0.00 N ATOM 1535 NH2 ARG A 102 12.378 -2.333 -10.058 1.00 0.00 N ATOM 0 H ARG A 102 9.704 -7.185 -7.217 1.00 0.00 H new ATOM 0 HA ARG A 102 8.951 -6.515 -4.446 1.00 0.00 H new ATOM 0 HB2 ARG A 102 10.427 -4.613 -4.723 1.00 0.00 H new ATOM 0 HB3 ARG A 102 11.284 -6.070 -5.187 1.00 0.00 H new ATOM 0 HG2 ARG A 102 11.309 -5.511 -7.449 1.00 0.00 H new ATOM 0 HG3 ARG A 102 9.876 -4.509 -7.334 1.00 0.00 H new ATOM 0 HD2 ARG A 102 11.065 -2.708 -6.328 1.00 0.00 H new ATOM 0 HD3 ARG A 102 12.427 -3.726 -5.902 1.00 0.00 H new ATOM 0 HE ARG A 102 13.336 -3.363 -8.007 1.00 0.00 H new ATOM 0 HH11 ARG A 102 9.887 -2.608 -8.036 1.00 0.00 H new ATOM 0 HH12 ARG A 102 9.927 -1.957 -9.679 1.00 0.00 H new ATOM 0 HH21 ARG A 102 13.378 -2.525 -10.115 1.00 0.00 H new ATOM 0 HH22 ARG A 102 11.894 -1.911 -10.850 1.00 0.00 H new ATOM 1549 N LEU A 103 7.678 -4.293 -5.078 1.00 0.00 N ATOM 1550 CA LEU A 103 6.603 -3.358 -5.390 1.00 0.00 C ATOM 1551 C LEU A 103 7.050 -1.918 -5.161 1.00 0.00 C ATOM 1552 O LEU A 103 7.630 -1.593 -4.125 1.00 0.00 O ATOM 1553 CB LEU A 103 5.372 -3.663 -4.534 1.00 0.00 C ATOM 1554 CG LEU A 103 4.377 -2.515 -4.355 1.00 0.00 C ATOM 1555 CD1 LEU A 103 3.551 -2.324 -5.618 1.00 0.00 C ATOM 1556 CD2 LEU A 103 3.474 -2.774 -3.158 1.00 0.00 C ATOM 0 H LEU A 103 8.135 -4.127 -4.181 1.00 0.00 H new ATOM 0 HA LEU A 103 6.346 -3.476 -6.443 1.00 0.00 H new ATOM 0 HB2 LEU A 103 4.845 -4.508 -4.979 1.00 0.00 H new ATOM 0 HB3 LEU A 103 5.710 -3.981 -3.548 1.00 0.00 H new ATOM 0 HG LEU A 103 4.937 -1.598 -4.170 1.00 0.00 H new ATOM 0 HD11 LEU A 103 2.849 -1.503 -5.473 1.00 0.00 H new ATOM 0 HD12 LEU A 103 4.212 -2.092 -6.453 1.00 0.00 H new ATOM 0 HD13 LEU A 103 3.000 -3.239 -5.834 1.00 0.00 H new ATOM 0 HD21 LEU A 103 2.773 -1.947 -3.046 1.00 0.00 H new ATOM 0 HD22 LEU A 103 2.921 -3.700 -3.313 1.00 0.00 H new ATOM 0 HD23 LEU A 103 4.081 -2.860 -2.256 1.00 0.00 H new ATOM 1568 N LYS A 104 6.775 -1.057 -6.135 1.00 0.00 N ATOM 1569 CA LYS A 104 7.145 0.350 -6.041 1.00 0.00 C ATOM 1570 C LYS A 104 6.002 1.176 -5.459 1.00 0.00 C ATOM 1571 O LYS A 104 4.973 1.374 -6.106 1.00 0.00 O ATOM 1572 CB LYS A 104 7.529 0.891 -7.420 1.00 0.00 C ATOM 1573 CG LYS A 104 7.939 2.354 -7.407 1.00 0.00 C ATOM 1574 CD LYS A 104 8.300 2.844 -8.799 1.00 0.00 C ATOM 1575 CE LYS A 104 9.118 4.125 -8.744 1.00 0.00 C ATOM 1576 NZ LYS A 104 9.786 4.413 -10.044 1.00 0.00 N ATOM 0 H LYS A 104 6.296 -1.310 -7.000 1.00 0.00 H new ATOM 0 HA LYS A 104 8.004 0.430 -5.374 1.00 0.00 H new ATOM 0 HB2 LYS A 104 8.350 0.296 -7.819 1.00 0.00 H new ATOM 0 HB3 LYS A 104 6.685 0.765 -8.098 1.00 0.00 H new ATOM 0 HG2 LYS A 104 7.124 2.958 -7.008 1.00 0.00 H new ATOM 0 HG3 LYS A 104 8.791 2.488 -6.741 1.00 0.00 H new ATOM 0 HD2 LYS A 104 8.865 2.073 -9.322 1.00 0.00 H new ATOM 0 HD3 LYS A 104 7.389 3.017 -9.373 1.00 0.00 H new ATOM 0 HE2 LYS A 104 8.469 4.959 -8.477 1.00 0.00 H new ATOM 0 HE3 LYS A 104 9.870 4.042 -7.960 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 10.333 5.294 -9.965 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 10.425 3.629 -10.287 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 9.067 4.518 -10.788 1.00 0.00 H new ATOM 1590 N LEU A 105 6.190 1.656 -4.235 1.00 0.00 N ATOM 1591 CA LEU A 105 5.174 2.462 -3.565 1.00 0.00 C ATOM 1592 C LEU A 105 5.515 3.946 -3.650 1.00 0.00 C ATOM 1593 O LEU A 105 6.597 4.369 -3.244 1.00 0.00 O ATOM 1594 CB LEU A 105 5.043 2.040 -2.101 1.00 0.00 C ATOM 1595 CG LEU A 105 4.035 0.928 -1.811 1.00 0.00 C ATOM 1596 CD1 LEU A 105 4.120 0.497 -0.355 1.00 0.00 C ATOM 1597 CD2 LEU A 105 2.624 1.386 -2.151 1.00 0.00 C ATOM 0 H LEU A 105 7.036 1.502 -3.686 1.00 0.00 H new ATOM 0 HA LEU A 105 4.222 2.297 -4.070 1.00 0.00 H new ATOM 0 HB2 LEU A 105 6.022 1.717 -1.748 1.00 0.00 H new ATOM 0 HB3 LEU A 105 4.766 2.916 -1.515 1.00 0.00 H new ATOM 0 HG LEU A 105 4.279 0.070 -2.438 1.00 0.00 H new ATOM 0 HD11 LEU A 105 3.395 -0.295 -0.167 1.00 0.00 H new ATOM 0 HD12 LEU A 105 5.124 0.128 -0.143 1.00 0.00 H new ATOM 0 HD13 LEU A 105 3.902 1.348 0.290 1.00 0.00 H new ATOM 0 HD21 LEU A 105 1.919 0.582 -1.938 1.00 0.00 H new ATOM 0 HD22 LEU A 105 2.370 2.259 -1.550 1.00 0.00 H new ATOM 0 HD23 LEU A 105 2.570 1.645 -3.208 1.00 0.00 H new ATOM 1609 N ARG A 106 4.583 4.733 -4.178 1.00 0.00 N ATOM 1610 CA ARG A 106 4.784 6.170 -4.315 1.00 0.00 C ATOM 1611 C ARG A 106 3.786 6.943 -3.457 1.00 0.00 C ATOM 1612 O ARG A 106 2.578 6.708 -3.527 1.00 0.00 O ATOM 1613 CB ARG A 106 4.645 6.589 -5.780 1.00 0.00 C ATOM 1614 CG ARG A 106 4.656 8.095 -5.987 1.00 0.00 C ATOM 1615 CD ARG A 106 5.177 8.464 -7.367 1.00 0.00 C ATOM 1616 NE ARG A 106 4.148 8.331 -8.394 1.00 0.00 N ATOM 1617 CZ ARG A 106 4.414 8.150 -9.683 1.00 0.00 C ATOM 1618 NH1 ARG A 106 5.671 8.079 -10.100 1.00 0.00 N ATOM 1619 NH2 ARG A 106 3.422 8.038 -10.557 1.00 0.00 N ATOM 0 H ARG A 106 3.681 4.399 -4.518 1.00 0.00 H new ATOM 0 HA ARG A 106 5.791 6.405 -3.971 1.00 0.00 H new ATOM 0 HB2 ARG A 106 5.459 6.146 -6.354 1.00 0.00 H new ATOM 0 HB3 ARG A 106 3.715 6.183 -6.179 1.00 0.00 H new ATOM 0 HG2 ARG A 106 3.647 8.488 -5.861 1.00 0.00 H new ATOM 0 HG3 ARG A 106 5.278 8.564 -5.225 1.00 0.00 H new ATOM 0 HD2 ARG A 106 5.545 9.490 -7.353 1.00 0.00 H new ATOM 0 HD3 ARG A 106 6.024 7.825 -7.618 1.00 0.00 H new ATOM 0 HE ARG A 106 3.171 8.380 -8.106 1.00 0.00 H new ATOM 0 HH11 ARG A 106 6.436 8.163 -9.431 1.00 0.00 H new ATOM 0 HH12 ARG A 106 5.873 7.940 -11.090 1.00 0.00 H new ATOM 0 HH21 ARG A 106 2.454 8.091 -10.239 1.00 0.00 H new ATOM 0 HH22 ARG A 106 3.627 7.899 -11.546 1.00 0.00 H new ATOM 1633 N LEU A 107 4.297 7.864 -2.649 1.00 0.00 N ATOM 1634 CA LEU A 107 3.452 8.672 -1.777 1.00 0.00 C ATOM 1635 C LEU A 107 3.605 10.156 -2.092 1.00 0.00 C ATOM 1636 O LEU A 107 4.719 10.677 -2.156 1.00 0.00 O ATOM 1637 CB LEU A 107 3.801 8.411 -0.310 1.00 0.00 C ATOM 1638 CG LEU A 107 3.746 6.952 0.144 1.00 0.00 C ATOM 1639 CD1 LEU A 107 4.281 6.813 1.560 1.00 0.00 C ATOM 1640 CD2 LEU A 107 2.323 6.420 0.055 1.00 0.00 C ATOM 0 H LEU A 107 5.293 8.070 -2.579 1.00 0.00 H new ATOM 0 HA LEU A 107 2.415 8.388 -1.953 1.00 0.00 H new ATOM 0 HB2 LEU A 107 4.805 8.791 -0.123 1.00 0.00 H new ATOM 0 HB3 LEU A 107 3.120 8.990 0.313 1.00 0.00 H new ATOM 0 HG LEU A 107 4.377 6.361 -0.520 1.00 0.00 H new ATOM 0 HD11 LEU A 107 4.234 5.768 1.866 1.00 0.00 H new ATOM 0 HD12 LEU A 107 5.316 7.155 1.593 1.00 0.00 H new ATOM 0 HD13 LEU A 107 3.678 7.417 2.238 1.00 0.00 H new ATOM 0 HD21 LEU A 107 2.302 5.380 0.382 1.00 0.00 H new ATOM 0 HD22 LEU A 107 1.671 7.015 0.695 1.00 0.00 H new ATOM 0 HD23 LEU A 107 1.975 6.483 -0.976 1.00 0.00 H new ATOM 1652 N THR A 108 2.478 10.835 -2.285 1.00 0.00 N ATOM 1653 CA THR A 108 2.486 12.259 -2.592 1.00 0.00 C ATOM 1654 C THR A 108 1.290 12.964 -1.962 1.00 0.00 C ATOM 1655 O THR A 108 0.149 12.764 -2.378 1.00 0.00 O ATOM 1656 CB THR A 108 2.471 12.507 -4.112 1.00 0.00 C ATOM 1657 OG1 THR A 108 1.473 11.688 -4.732 1.00 0.00 O ATOM 1658 CG2 THR A 108 3.832 12.206 -4.723 1.00 0.00 C ATOM 0 H THR A 108 1.548 10.420 -2.234 1.00 0.00 H new ATOM 0 HA THR A 108 3.407 12.667 -2.174 1.00 0.00 H new ATOM 0 HB THR A 108 2.237 13.558 -4.284 1.00 0.00 H new ATOM 0 HG1 THR A 108 0.630 11.769 -4.238 1.00 0.00 H new ATOM 0 HG21 THR A 108 3.797 12.388 -5.797 1.00 0.00 H new ATOM 0 HG22 THR A 108 4.585 12.851 -4.270 1.00 0.00 H new ATOM 0 HG23 THR A 108 4.090 11.163 -4.540 1.00 0.00 H new ATOM 1666 N TYR A 109 1.559 13.791 -0.957 1.00 0.00 N ATOM 1667 CA TYR A 109 0.504 14.525 -0.268 1.00 0.00 C ATOM 1668 C TYR A 109 1.016 15.871 0.234 1.00 0.00 C ATOM 1669 O TYR A 109 2.191 16.201 0.071 1.00 0.00 O ATOM 1670 CB TYR A 109 -0.037 13.703 0.903 1.00 0.00 C ATOM 1671 CG TYR A 109 1.026 13.294 1.897 1.00 0.00 C ATOM 1672 CD1 TYR A 109 1.750 12.120 1.726 1.00 0.00 C ATOM 1673 CD2 TYR A 109 1.306 14.079 3.008 1.00 0.00 C ATOM 1674 CE1 TYR A 109 2.722 11.741 2.632 1.00 0.00 C ATOM 1675 CE2 TYR A 109 2.277 13.710 3.919 1.00 0.00 C ATOM 1676 CZ TYR A 109 2.982 12.540 3.727 1.00 0.00 C ATOM 1677 OH TYR A 109 3.949 12.167 4.632 1.00 0.00 O ATOM 0 H TYR A 109 2.498 13.970 -0.602 1.00 0.00 H new ATOM 0 HA TYR A 109 -0.302 14.706 -0.979 1.00 0.00 H new ATOM 0 HB2 TYR A 109 -0.802 14.282 1.420 1.00 0.00 H new ATOM 0 HB3 TYR A 109 -0.523 12.808 0.514 1.00 0.00 H new ATOM 0 HD1 TYR A 109 1.549 11.493 0.870 1.00 0.00 H new ATOM 0 HD2 TYR A 109 0.755 14.995 3.163 1.00 0.00 H new ATOM 0 HE1 TYR A 109 3.275 10.825 2.484 1.00 0.00 H new ATOM 0 HE2 TYR A 109 2.483 14.334 4.776 1.00 0.00 H new ATOM 0 HH TYR A 109 4.008 12.839 5.343 1.00 0.00 H new ATOM 1687 N ASP A 110 0.125 16.644 0.845 1.00 0.00 N ATOM 1688 CA ASP A 110 0.486 17.955 1.374 1.00 0.00 C ATOM 1689 C ASP A 110 0.454 17.953 2.899 1.00 0.00 C ATOM 1690 O ASP A 110 -0.507 17.485 3.510 1.00 0.00 O ATOM 1691 CB ASP A 110 -0.464 19.025 0.833 1.00 0.00 C ATOM 1692 CG ASP A 110 0.203 20.381 0.710 1.00 0.00 C ATOM 1693 OD1 ASP A 110 1.221 20.479 -0.006 1.00 0.00 O ATOM 1694 OD2 ASP A 110 -0.295 21.345 1.328 1.00 0.00 O ATOM 0 H ASP A 110 -0.852 16.386 0.986 1.00 0.00 H new ATOM 0 HA ASP A 110 1.501 18.184 1.050 1.00 0.00 H new ATOM 0 HB2 ASP A 110 -0.836 18.716 -0.144 1.00 0.00 H new ATOM 0 HB3 ASP A 110 -1.328 19.107 1.492 1.00 0.00 H new ATOM 1699 N HIS A 111 1.512 18.479 3.509 1.00 0.00 N ATOM 1700 CA HIS A 111 1.606 18.538 4.963 1.00 0.00 C ATOM 1701 C HIS A 111 2.115 19.901 5.420 1.00 0.00 C ATOM 1702 O HIS A 111 3.123 20.399 4.918 1.00 0.00 O ATOM 1703 CB HIS A 111 2.530 17.435 5.481 1.00 0.00 C ATOM 1704 CG HIS A 111 2.172 16.948 6.851 1.00 0.00 C ATOM 1705 ND1 HIS A 111 2.477 15.681 7.303 1.00 0.00 N ATOM 1706 CD2 HIS A 111 1.533 17.566 7.872 1.00 0.00 C ATOM 1707 CE1 HIS A 111 2.039 15.540 8.541 1.00 0.00 C ATOM 1708 NE2 HIS A 111 1.463 16.670 8.910 1.00 0.00 N ATOM 0 H HIS A 111 2.316 18.870 3.018 1.00 0.00 H new ATOM 0 HA HIS A 111 0.607 18.387 5.373 1.00 0.00 H new ATOM 0 HB2 HIS A 111 2.504 16.595 4.787 1.00 0.00 H new ATOM 0 HB3 HIS A 111 3.555 17.807 5.493 1.00 0.00 H new ATOM 0 HD1 HIS A 111 2.965 14.965 6.765 1.00 0.00 H new ATOM 0 HD2 HIS A 111 1.150 18.576 7.870 1.00 0.00 H new ATOM 0 HE1 HIS A 111 2.135 14.652 9.148 1.00 0.00 H new ATOM 1716 N PHE A 112 1.412 20.500 6.376 1.00 0.00 N ATOM 1717 CA PHE A 112 1.792 21.807 6.899 1.00 0.00 C ATOM 1718 C PHE A 112 2.154 22.763 5.766 1.00 0.00 C ATOM 1719 O PHE A 112 3.198 23.416 5.798 1.00 0.00 O ATOM 1720 CB PHE A 112 2.973 21.670 7.863 1.00 0.00 C ATOM 1721 CG PHE A 112 2.612 21.012 9.164 1.00 0.00 C ATOM 1722 CD1 PHE A 112 1.885 21.698 10.124 1.00 0.00 C ATOM 1723 CD2 PHE A 112 2.998 19.708 9.426 1.00 0.00 C ATOM 1724 CE1 PHE A 112 1.552 21.094 11.322 1.00 0.00 C ATOM 1725 CE2 PHE A 112 2.668 19.099 10.622 1.00 0.00 C ATOM 1726 CZ PHE A 112 1.943 19.793 11.571 1.00 0.00 C ATOM 0 H PHE A 112 0.576 20.101 6.804 1.00 0.00 H new ATOM 0 HA PHE A 112 0.938 22.217 7.437 1.00 0.00 H new ATOM 0 HB2 PHE A 112 3.761 21.093 7.380 1.00 0.00 H new ATOM 0 HB3 PHE A 112 3.382 22.660 8.067 1.00 0.00 H new ATOM 0 HD1 PHE A 112 1.575 22.715 9.934 1.00 0.00 H new ATOM 0 HD2 PHE A 112 3.564 19.160 8.687 1.00 0.00 H new ATOM 0 HE1 PHE A 112 0.986 21.639 12.063 1.00 0.00 H new ATOM 0 HE2 PHE A 112 2.977 18.082 10.814 1.00 0.00 H new ATOM 0 HZ PHE A 112 1.682 19.319 12.506 1.00 0.00 H new ATOM 1736 N HIS A 113 1.284 22.839 4.764 1.00 0.00 N ATOM 1737 CA HIS A 113 1.511 23.715 3.619 1.00 0.00 C ATOM 1738 C HIS A 113 2.830 23.377 2.930 1.00 0.00 C ATOM 1739 O HIS A 113 3.605 24.268 2.584 1.00 0.00 O ATOM 1740 CB HIS A 113 1.514 25.178 4.063 1.00 0.00 C ATOM 1741 CG HIS A 113 0.307 25.565 4.859 1.00 0.00 C ATOM 1742 ND1 HIS A 113 0.345 26.486 5.885 1.00 0.00 N ATOM 1743 CD2 HIS A 113 -0.979 25.152 4.775 1.00 0.00 C ATOM 1744 CE1 HIS A 113 -0.864 26.621 6.398 1.00 0.00 C ATOM 1745 NE2 HIS A 113 -1.687 25.823 5.742 1.00 0.00 N ATOM 0 H HIS A 113 0.416 22.305 4.721 1.00 0.00 H new ATOM 0 HA HIS A 113 0.700 23.561 2.907 1.00 0.00 H new ATOM 0 HB2 HIS A 113 2.407 25.366 4.658 1.00 0.00 H new ATOM 0 HB3 HIS A 113 1.578 25.816 3.182 1.00 0.00 H new ATOM 0 HD2 HIS A 113 -1.375 24.429 4.077 1.00 0.00 H new ATOM 0 HE1 HIS A 113 -1.134 27.273 7.215 1.00 0.00 H new ATOM 0 HE2 HIS A 113 -2.686 25.722 5.924 1.00 0.00 H new ATOM 1753 N GLN A 114 3.076 22.086 2.735 1.00 0.00 N ATOM 1754 CA GLN A 114 4.302 21.631 2.089 1.00 0.00 C ATOM 1755 C GLN A 114 4.043 20.388 1.244 1.00 0.00 C ATOM 1756 O GLN A 114 3.305 19.491 1.652 1.00 0.00 O ATOM 1757 CB GLN A 114 5.377 21.336 3.136 1.00 0.00 C ATOM 1758 CG GLN A 114 5.742 22.540 3.989 1.00 0.00 C ATOM 1759 CD GLN A 114 6.402 22.150 5.297 1.00 0.00 C ATOM 1760 OE1 GLN A 114 7.193 21.208 5.350 1.00 0.00 O ATOM 1761 NE2 GLN A 114 6.079 22.874 6.362 1.00 0.00 N ATOM 0 H GLN A 114 2.443 21.337 3.015 1.00 0.00 H new ATOM 0 HA GLN A 114 4.654 22.427 1.433 1.00 0.00 H new ATOM 0 HB2 GLN A 114 5.029 20.533 3.786 1.00 0.00 H new ATOM 0 HB3 GLN A 114 6.273 20.973 2.632 1.00 0.00 H new ATOM 0 HG2 GLN A 114 6.414 23.189 3.427 1.00 0.00 H new ATOM 0 HG3 GLN A 114 4.842 23.118 4.199 1.00 0.00 H new ATOM 0 HE21 GLN A 114 5.419 23.646 6.273 1.00 0.00 H new ATOM 0 HE22 GLN A 114 6.491 22.658 7.270 1.00 0.00 H new ATOM 1770 N SER A 115 4.654 20.342 0.065 1.00 0.00 N ATOM 1771 CA SER A 115 4.487 19.210 -0.839 1.00 0.00 C ATOM 1772 C SER A 115 5.400 18.055 -0.440 1.00 0.00 C ATOM 1773 O SER A 115 6.580 18.031 -0.792 1.00 0.00 O ATOM 1774 CB SER A 115 4.781 19.633 -2.280 1.00 0.00 C ATOM 1775 OG SER A 115 3.844 20.597 -2.730 1.00 0.00 O ATOM 0 H SER A 115 5.269 21.075 -0.287 1.00 0.00 H new ATOM 0 HA SER A 115 3.453 18.872 -0.770 1.00 0.00 H new ATOM 0 HB2 SER A 115 5.789 20.044 -2.343 1.00 0.00 H new ATOM 0 HB3 SER A 115 4.751 18.760 -2.932 1.00 0.00 H new ATOM 0 HG SER A 115 4.055 20.852 -3.652 1.00 0.00 H new ATOM 1781 N VAL A 116 4.846 17.099 0.298 1.00 0.00 N ATOM 1782 CA VAL A 116 5.609 15.940 0.746 1.00 0.00 C ATOM 1783 C VAL A 116 5.612 14.842 -0.312 1.00 0.00 C ATOM 1784 O VAL A 116 4.563 14.302 -0.663 1.00 0.00 O ATOM 1785 CB VAL A 116 5.044 15.369 2.060 1.00 0.00 C ATOM 1786 CG1 VAL A 116 5.825 14.135 2.486 1.00 0.00 C ATOM 1787 CG2 VAL A 116 5.066 16.427 3.153 1.00 0.00 C ATOM 0 H VAL A 116 3.871 17.104 0.599 1.00 0.00 H new ATOM 0 HA VAL A 116 6.630 16.280 0.916 1.00 0.00 H new ATOM 0 HB VAL A 116 4.008 15.074 1.892 1.00 0.00 H new ATOM 0 HG11 VAL A 116 5.411 13.746 3.416 1.00 0.00 H new ATOM 0 HG12 VAL A 116 5.753 13.373 1.710 1.00 0.00 H new ATOM 0 HG13 VAL A 116 6.871 14.401 2.637 1.00 0.00 H new ATOM 0 HG21 VAL A 116 4.663 16.007 4.075 1.00 0.00 H new ATOM 0 HG22 VAL A 116 6.092 16.755 3.322 1.00 0.00 H new ATOM 0 HG23 VAL A 116 4.459 17.279 2.847 1.00 0.00 H new ATOM 1797 N GLN A 117 6.798 14.516 -0.816 1.00 0.00 N ATOM 1798 CA GLN A 117 6.938 13.482 -1.834 1.00 0.00 C ATOM 1799 C GLN A 117 8.056 12.510 -1.474 1.00 0.00 C ATOM 1800 O GLN A 117 9.214 12.905 -1.342 1.00 0.00 O ATOM 1801 CB GLN A 117 7.216 14.115 -3.199 1.00 0.00 C ATOM 1802 CG GLN A 117 7.394 13.100 -4.316 1.00 0.00 C ATOM 1803 CD GLN A 117 8.327 13.589 -5.406 1.00 0.00 C ATOM 1804 OE1 GLN A 117 7.908 13.816 -6.541 1.00 0.00 O ATOM 1805 NE2 GLN A 117 9.600 13.753 -5.066 1.00 0.00 N ATOM 0 H GLN A 117 7.676 14.953 -0.536 1.00 0.00 H new ATOM 0 HA GLN A 117 6.001 12.927 -1.882 1.00 0.00 H new ATOM 0 HB2 GLN A 117 6.394 14.783 -3.454 1.00 0.00 H new ATOM 0 HB3 GLN A 117 8.115 14.728 -3.130 1.00 0.00 H new ATOM 0 HG2 GLN A 117 7.784 12.171 -3.899 1.00 0.00 H new ATOM 0 HG3 GLN A 117 6.421 12.870 -4.751 1.00 0.00 H new ATOM 0 HE21 GLN A 117 9.903 13.553 -4.113 1.00 0.00 H new ATOM 0 HE22 GLN A 117 10.275 14.079 -5.758 1.00 0.00 H new ATOM 1814 N GLU A 118 7.701 11.239 -1.316 1.00 0.00 N ATOM 1815 CA GLU A 118 8.676 10.212 -0.969 1.00 0.00 C ATOM 1816 C GLU A 118 8.356 8.898 -1.676 1.00 0.00 C ATOM 1817 O GLU A 118 7.287 8.319 -1.478 1.00 0.00 O ATOM 1818 CB GLU A 118 8.706 9.995 0.545 1.00 0.00 C ATOM 1819 CG GLU A 118 9.462 11.076 1.299 1.00 0.00 C ATOM 1820 CD GLU A 118 10.963 10.860 1.277 1.00 0.00 C ATOM 1821 OE1 GLU A 118 11.500 10.539 0.196 1.00 0.00 O ATOM 1822 OE2 GLU A 118 11.601 11.012 2.340 1.00 0.00 O ATOM 0 H GLU A 118 6.746 10.896 -1.423 1.00 0.00 H new ATOM 0 HA GLU A 118 9.657 10.553 -1.299 1.00 0.00 H new ATOM 0 HB2 GLU A 118 7.683 9.951 0.918 1.00 0.00 H new ATOM 0 HB3 GLU A 118 9.164 9.029 0.756 1.00 0.00 H new ATOM 0 HG2 GLU A 118 9.232 12.048 0.862 1.00 0.00 H new ATOM 0 HG3 GLU A 118 9.117 11.102 2.333 1.00 0.00 H new ATOM 1829 N ILE A 119 9.289 8.433 -2.500 1.00 0.00 N ATOM 1830 CA ILE A 119 9.107 7.188 -3.236 1.00 0.00 C ATOM 1831 C ILE A 119 10.085 6.120 -2.759 1.00 0.00 C ATOM 1832 O ILE A 119 11.300 6.277 -2.882 1.00 0.00 O ATOM 1833 CB ILE A 119 9.289 7.397 -4.751 1.00 0.00 C ATOM 1834 CG1 ILE A 119 8.249 8.385 -5.280 1.00 0.00 C ATOM 1835 CG2 ILE A 119 9.188 6.068 -5.485 1.00 0.00 C ATOM 1836 CD1 ILE A 119 8.671 9.833 -5.156 1.00 0.00 C ATOM 0 H ILE A 119 10.179 8.900 -2.675 1.00 0.00 H new ATOM 0 HA ILE A 119 8.087 6.854 -3.045 1.00 0.00 H new ATOM 0 HB ILE A 119 10.281 7.813 -4.929 1.00 0.00 H new ATOM 0 HG12 ILE A 119 8.048 8.162 -6.328 1.00 0.00 H new ATOM 0 HG13 ILE A 119 7.314 8.240 -4.739 1.00 0.00 H new ATOM 0 HG21 ILE A 119 9.319 6.232 -6.555 1.00 0.00 H new ATOM 0 HG22 ILE A 119 9.964 5.393 -5.124 1.00 0.00 H new ATOM 0 HG23 ILE A 119 8.209 5.625 -5.303 1.00 0.00 H new ATOM 0 HD11 ILE A 119 7.885 10.476 -5.551 1.00 0.00 H new ATOM 0 HD12 ILE A 119 8.844 10.073 -4.107 1.00 0.00 H new ATOM 0 HD13 ILE A 119 9.589 9.994 -5.721 1.00 0.00 H new ATOM 1848 N PHE A 120 9.548 5.033 -2.217 1.00 0.00 N ATOM 1849 CA PHE A 120 10.374 3.937 -1.722 1.00 0.00 C ATOM 1850 C PHE A 120 9.821 2.590 -2.178 1.00 0.00 C ATOM 1851 O PHE A 120 8.626 2.455 -2.439 1.00 0.00 O ATOM 1852 CB PHE A 120 10.452 3.978 -0.195 1.00 0.00 C ATOM 1853 CG PHE A 120 9.110 4.076 0.472 1.00 0.00 C ATOM 1854 CD1 PHE A 120 8.263 2.980 0.517 1.00 0.00 C ATOM 1855 CD2 PHE A 120 8.694 5.263 1.053 1.00 0.00 C ATOM 1856 CE1 PHE A 120 7.027 3.066 1.129 1.00 0.00 C ATOM 1857 CE2 PHE A 120 7.460 5.355 1.668 1.00 0.00 C ATOM 1858 CZ PHE A 120 6.625 4.256 1.705 1.00 0.00 C ATOM 0 H PHE A 120 8.544 4.887 -2.109 1.00 0.00 H new ATOM 0 HA PHE A 120 11.376 4.057 -2.133 1.00 0.00 H new ATOM 0 HB2 PHE A 120 10.960 3.081 0.159 1.00 0.00 H new ATOM 0 HB3 PHE A 120 11.062 4.830 0.107 1.00 0.00 H new ATOM 0 HD1 PHE A 120 8.573 2.048 0.068 1.00 0.00 H new ATOM 0 HD2 PHE A 120 9.342 6.127 1.025 1.00 0.00 H new ATOM 0 HE1 PHE A 120 6.376 2.205 1.157 1.00 0.00 H new ATOM 0 HE2 PHE A 120 7.149 6.286 2.119 1.00 0.00 H new ATOM 0 HZ PHE A 120 5.659 4.326 2.183 1.00 0.00 H new ATOM 1868 N GLU A 121 10.699 1.597 -2.273 1.00 0.00 N ATOM 1869 CA GLU A 121 10.299 0.262 -2.699 1.00 0.00 C ATOM 1870 C GLU A 121 10.392 -0.729 -1.542 1.00 0.00 C ATOM 1871 O GLU A 121 11.423 -0.830 -0.877 1.00 0.00 O ATOM 1872 CB GLU A 121 11.175 -0.211 -3.861 1.00 0.00 C ATOM 1873 CG GLU A 121 11.052 0.652 -5.106 1.00 0.00 C ATOM 1874 CD GLU A 121 11.670 2.025 -4.927 1.00 0.00 C ATOM 1875 OE1 GLU A 121 12.915 2.119 -4.916 1.00 0.00 O ATOM 1876 OE2 GLU A 121 10.908 3.006 -4.798 1.00 0.00 O ATOM 0 H GLU A 121 11.692 1.692 -2.061 1.00 0.00 H new ATOM 0 HA GLU A 121 9.262 0.310 -3.031 1.00 0.00 H new ATOM 0 HB2 GLU A 121 12.216 -0.223 -3.539 1.00 0.00 H new ATOM 0 HB3 GLU A 121 10.907 -1.237 -4.113 1.00 0.00 H new ATOM 0 HG2 GLU A 121 11.534 0.147 -5.943 1.00 0.00 H new ATOM 0 HG3 GLU A 121 9.999 0.763 -5.364 1.00 0.00 H new ATOM 1883 N VAL A 122 9.306 -1.459 -1.307 1.00 0.00 N ATOM 1884 CA VAL A 122 9.264 -2.442 -0.231 1.00 0.00 C ATOM 1885 C VAL A 122 10.082 -3.679 -0.585 1.00 0.00 C ATOM 1886 O VAL A 122 9.608 -4.567 -1.294 1.00 0.00 O ATOM 1887 CB VAL A 122 7.818 -2.869 0.083 1.00 0.00 C ATOM 1888 CG1 VAL A 122 7.785 -3.799 1.286 1.00 0.00 C ATOM 1889 CG2 VAL A 122 6.942 -1.648 0.319 1.00 0.00 C ATOM 0 H VAL A 122 8.444 -1.388 -1.847 1.00 0.00 H new ATOM 0 HA VAL A 122 9.694 -1.965 0.650 1.00 0.00 H new ATOM 0 HB VAL A 122 7.423 -3.411 -0.776 1.00 0.00 H new ATOM 0 HG11 VAL A 122 6.755 -4.090 1.493 1.00 0.00 H new ATOM 0 HG12 VAL A 122 8.378 -4.689 1.074 1.00 0.00 H new ATOM 0 HG13 VAL A 122 8.198 -3.286 2.154 1.00 0.00 H new ATOM 0 HG21 VAL A 122 5.924 -1.968 0.540 1.00 0.00 H new ATOM 0 HG22 VAL A 122 7.333 -1.077 1.161 1.00 0.00 H new ATOM 0 HG23 VAL A 122 6.941 -1.023 -0.574 1.00 0.00 H new ATOM 1899 N ASN A 123 11.312 -3.731 -0.086 1.00 0.00 N ATOM 1900 CA ASN A 123 12.197 -4.860 -0.350 1.00 0.00 C ATOM 1901 C ASN A 123 12.133 -5.878 0.785 1.00 0.00 C ATOM 1902 O ASN A 123 12.557 -7.022 0.630 1.00 0.00 O ATOM 1903 CB ASN A 123 13.636 -4.375 -0.534 1.00 0.00 C ATOM 1904 CG ASN A 123 14.261 -3.911 0.768 1.00 0.00 C ATOM 1905 OD1 ASN A 123 13.969 -2.819 1.255 1.00 0.00 O ATOM 1906 ND2 ASN A 123 15.127 -4.742 1.337 1.00 0.00 N ATOM 0 H ASN A 123 11.719 -3.005 0.503 1.00 0.00 H new ATOM 0 HA ASN A 123 11.864 -5.344 -1.268 1.00 0.00 H new ATOM 0 HB2 ASN A 123 14.237 -5.181 -0.955 1.00 0.00 H new ATOM 0 HB3 ASN A 123 13.651 -3.556 -1.253 1.00 0.00 H new ATOM 0 HD21 ASN A 123 15.580 -4.485 2.214 1.00 0.00 H new ATOM 0 HD22 ASN A 123 15.339 -5.638 0.897 1.00 0.00 H new ATOM 1913 N ASN A 124 11.598 -5.452 1.925 1.00 0.00 N ATOM 1914 CA ASN A 124 11.478 -6.327 3.086 1.00 0.00 C ATOM 1915 C ASN A 124 10.108 -6.996 3.123 1.00 0.00 C ATOM 1916 O ASN A 124 9.490 -7.113 4.183 1.00 0.00 O ATOM 1917 CB ASN A 124 11.706 -5.533 4.374 1.00 0.00 C ATOM 1918 CG ASN A 124 12.190 -6.407 5.514 1.00 0.00 C ATOM 1919 OD1 ASN A 124 12.956 -7.348 5.308 1.00 0.00 O ATOM 1920 ND2 ASN A 124 11.742 -6.100 6.726 1.00 0.00 N ATOM 0 H ASN A 124 11.241 -4.507 2.070 1.00 0.00 H new ATOM 0 HA ASN A 124 12.239 -7.103 3.006 1.00 0.00 H new ATOM 0 HB2 ASN A 124 12.437 -4.746 4.188 1.00 0.00 H new ATOM 0 HB3 ASN A 124 10.777 -5.043 4.665 1.00 0.00 H new ATOM 0 HD21 ASN A 124 12.032 -6.653 7.532 1.00 0.00 H new ATOM 0 HD22 ASN A 124 11.108 -5.311 6.851 1.00 0.00 H new ATOM 1927 N LEU A 125 9.638 -7.435 1.961 1.00 0.00 N ATOM 1928 CA LEU A 125 8.341 -8.095 1.860 1.00 0.00 C ATOM 1929 C LEU A 125 8.348 -9.427 2.603 1.00 0.00 C ATOM 1930 O LEU A 125 9.389 -10.057 2.787 1.00 0.00 O ATOM 1931 CB LEU A 125 7.974 -8.319 0.392 1.00 0.00 C ATOM 1932 CG LEU A 125 7.544 -7.076 -0.390 1.00 0.00 C ATOM 1933 CD1 LEU A 125 7.469 -7.381 -1.878 1.00 0.00 C ATOM 1934 CD2 LEU A 125 6.206 -6.562 0.120 1.00 0.00 C ATOM 0 H LEU A 125 10.136 -7.346 1.075 1.00 0.00 H new ATOM 0 HA LEU A 125 7.595 -7.447 2.320 1.00 0.00 H new ATOM 0 HB2 LEU A 125 8.832 -8.762 -0.113 1.00 0.00 H new ATOM 0 HB3 LEU A 125 7.166 -9.049 0.348 1.00 0.00 H new ATOM 0 HG LEU A 125 8.291 -6.297 -0.238 1.00 0.00 H new ATOM 0 HD11 LEU A 125 7.162 -6.485 -2.418 1.00 0.00 H new ATOM 0 HD12 LEU A 125 8.448 -7.701 -2.234 1.00 0.00 H new ATOM 0 HD13 LEU A 125 6.743 -8.176 -2.050 1.00 0.00 H new ATOM 0 HD21 LEU A 125 5.916 -5.678 -0.447 1.00 0.00 H new ATOM 0 HD22 LEU A 125 5.448 -7.336 -0.002 1.00 0.00 H new ATOM 0 HD23 LEU A 125 6.294 -6.303 1.175 1.00 0.00 H new ATOM 1946 N PRO A 126 7.158 -9.867 3.039 1.00 0.00 N ATOM 1947 CA PRO A 126 7.000 -11.130 3.766 1.00 0.00 C ATOM 1948 C PRO A 126 7.234 -12.345 2.876 1.00 0.00 C ATOM 1949 O PRO A 126 7.168 -12.252 1.650 1.00 0.00 O ATOM 1950 CB PRO A 126 5.545 -11.087 4.240 1.00 0.00 C ATOM 1951 CG PRO A 126 4.856 -10.192 3.267 1.00 0.00 C ATOM 1952 CD PRO A 126 5.876 -9.167 2.854 1.00 0.00 C ATOM 0 HA PRO A 126 7.724 -11.227 4.575 1.00 0.00 H new ATOM 0 HB2 PRO A 126 5.101 -12.082 4.246 1.00 0.00 H new ATOM 0 HB3 PRO A 126 5.471 -10.699 5.256 1.00 0.00 H new ATOM 0 HG2 PRO A 126 4.497 -10.755 2.405 1.00 0.00 H new ATOM 0 HG3 PRO A 126 3.987 -9.717 3.722 1.00 0.00 H new ATOM 0 HD2 PRO A 126 5.735 -8.854 1.820 1.00 0.00 H new ATOM 0 HD3 PRO A 126 5.816 -8.270 3.470 1.00 0.00 H new ATOM 1960 N VAL A 127 7.507 -13.487 3.500 1.00 0.00 N ATOM 1961 CA VAL A 127 7.749 -14.722 2.763 1.00 0.00 C ATOM 1962 C VAL A 127 6.450 -15.482 2.523 1.00 0.00 C ATOM 1963 O VAL A 127 6.275 -16.118 1.484 1.00 0.00 O ATOM 1964 CB VAL A 127 8.737 -15.637 3.512 1.00 0.00 C ATOM 1965 CG1 VAL A 127 8.125 -16.130 4.814 1.00 0.00 C ATOM 1966 CG2 VAL A 127 9.151 -16.806 2.631 1.00 0.00 C ATOM 0 H VAL A 127 7.566 -13.582 4.514 1.00 0.00 H new ATOM 0 HA VAL A 127 8.183 -14.439 1.804 1.00 0.00 H new ATOM 0 HB VAL A 127 9.629 -15.060 3.754 1.00 0.00 H new ATOM 0 HG11 VAL A 127 8.837 -16.775 5.329 1.00 0.00 H new ATOM 0 HG12 VAL A 127 7.883 -15.277 5.448 1.00 0.00 H new ATOM 0 HG13 VAL A 127 7.216 -16.692 4.599 1.00 0.00 H new ATOM 0 HG21 VAL A 127 9.849 -17.442 3.175 1.00 0.00 H new ATOM 0 HG22 VAL A 127 8.269 -17.385 2.357 1.00 0.00 H new ATOM 0 HG23 VAL A 127 9.632 -16.429 1.728 1.00 0.00 H new ATOM 1976 N GLU A 128 5.542 -15.412 3.492 1.00 0.00 N ATOM 1977 CA GLU A 128 4.258 -16.095 3.385 1.00 0.00 C ATOM 1978 C GLU A 128 3.483 -15.609 2.163 1.00 0.00 C ATOM 1979 O GLU A 128 2.763 -16.378 1.526 1.00 0.00 O ATOM 1980 CB GLU A 128 3.429 -15.871 4.651 1.00 0.00 C ATOM 1981 CG GLU A 128 3.864 -16.732 5.824 1.00 0.00 C ATOM 1982 CD GLU A 128 3.463 -18.186 5.661 1.00 0.00 C ATOM 1983 OE1 GLU A 128 4.260 -18.959 5.089 1.00 0.00 O ATOM 1984 OE2 GLU A 128 2.354 -18.549 6.104 1.00 0.00 O ATOM 0 H GLU A 128 5.672 -14.890 4.359 1.00 0.00 H new ATOM 0 HA GLU A 128 4.451 -17.162 3.270 1.00 0.00 H new ATOM 0 HB2 GLU A 128 3.495 -14.821 4.937 1.00 0.00 H new ATOM 0 HB3 GLU A 128 2.381 -16.076 4.430 1.00 0.00 H new ATOM 0 HG2 GLU A 128 4.946 -16.668 5.935 1.00 0.00 H new ATOM 0 HG3 GLU A 128 3.425 -16.339 6.741 1.00 0.00 H new ATOM 1991 N SER A 129 3.637 -14.328 1.844 1.00 0.00 N ATOM 1992 CA SER A 129 2.949 -13.738 0.702 1.00 0.00 C ATOM 1993 C SER A 129 3.070 -14.633 -0.528 1.00 0.00 C ATOM 1994 O SER A 129 2.077 -14.936 -1.189 1.00 0.00 O ATOM 1995 CB SER A 129 3.520 -12.352 0.396 1.00 0.00 C ATOM 1996 OG SER A 129 4.935 -12.388 0.325 1.00 0.00 O ATOM 0 H SER A 129 4.232 -13.679 2.360 1.00 0.00 H new ATOM 0 HA SER A 129 1.894 -13.641 0.956 1.00 0.00 H new ATOM 0 HB2 SER A 129 3.114 -11.988 -0.548 1.00 0.00 H new ATOM 0 HB3 SER A 129 3.209 -11.648 1.168 1.00 0.00 H new ATOM 0 HG SER A 129 5.309 -12.354 1.230 1.00 0.00 H new ATOM 2002 N TRP A 130 4.294 -15.053 -0.828 1.00 0.00 N ATOM 2003 CA TRP A 130 4.546 -15.913 -1.978 1.00 0.00 C ATOM 2004 C TRP A 130 4.434 -17.384 -1.592 1.00 0.00 C ATOM 2005 O TRP A 130 3.948 -18.203 -2.371 1.00 0.00 O ATOM 2006 CB TRP A 130 5.933 -15.630 -2.559 1.00 0.00 C ATOM 2007 CG TRP A 130 7.052 -16.008 -1.636 1.00 0.00 C ATOM 2008 CD1 TRP A 130 7.736 -15.178 -0.795 1.00 0.00 C ATOM 2009 CD2 TRP A 130 7.617 -17.312 -1.464 1.00 0.00 C ATOM 2010 NE1 TRP A 130 8.693 -15.888 -0.110 1.00 0.00 N ATOM 2011 CE2 TRP A 130 8.639 -17.200 -0.502 1.00 0.00 C ATOM 2012 CE3 TRP A 130 7.357 -18.564 -2.028 1.00 0.00 C ATOM 2013 CZ2 TRP A 130 9.401 -18.292 -0.094 1.00 0.00 C ATOM 2014 CZ3 TRP A 130 8.114 -19.647 -1.622 1.00 0.00 C ATOM 2015 CH2 TRP A 130 9.125 -19.506 -0.663 1.00 0.00 C ATOM 0 H TRP A 130 5.127 -14.812 -0.291 1.00 0.00 H new ATOM 0 HA TRP A 130 3.792 -15.696 -2.735 1.00 0.00 H new ATOM 0 HB2 TRP A 130 6.045 -16.175 -3.496 1.00 0.00 H new ATOM 0 HB3 TRP A 130 6.010 -14.569 -2.796 1.00 0.00 H new ATOM 0 HD1 TRP A 130 7.552 -14.120 -0.684 1.00 0.00 H new ATOM 0 HE1 TRP A 130 9.339 -15.501 0.578 1.00 0.00 H new ATOM 0 HE3 TRP A 130 6.579 -18.683 -2.767 1.00 0.00 H new ATOM 0 HZ2 TRP A 130 10.182 -18.185 0.645 1.00 0.00 H new ATOM 0 HZ3 TRP A 130 7.922 -20.619 -2.052 1.00 0.00 H new ATOM 0 HH2 TRP A 130 9.698 -20.372 -0.367 1.00 0.00 H new ATOM 2026 N GLN A 131 4.887 -17.711 -0.386 1.00 0.00 N ATOM 2027 CA GLN A 131 4.837 -19.085 0.101 1.00 0.00 C ATOM 2028 C GLN A 131 3.401 -19.596 0.141 1.00 0.00 C ATOM 2029 O GLN A 131 3.142 -20.772 -0.118 1.00 0.00 O ATOM 2030 CB GLN A 131 5.463 -19.177 1.494 1.00 0.00 C ATOM 2031 CG GLN A 131 5.897 -20.583 1.874 1.00 0.00 C ATOM 2032 CD GLN A 131 7.055 -21.084 1.033 1.00 0.00 C ATOM 2033 OE1 GLN A 131 6.878 -21.469 -0.123 1.00 0.00 O ATOM 2034 NE2 GLN A 131 8.251 -21.080 1.611 1.00 0.00 N ATOM 0 H GLN A 131 5.292 -17.044 0.271 1.00 0.00 H new ATOM 0 HA GLN A 131 5.406 -19.709 -0.588 1.00 0.00 H new ATOM 0 HB2 GLN A 131 6.327 -18.514 1.539 1.00 0.00 H new ATOM 0 HB3 GLN A 131 4.745 -18.816 2.230 1.00 0.00 H new ATOM 0 HG2 GLN A 131 6.183 -20.599 2.926 1.00 0.00 H new ATOM 0 HG3 GLN A 131 5.052 -21.262 1.763 1.00 0.00 H new ATOM 0 HE21 GLN A 131 8.352 -20.752 2.572 1.00 0.00 H new ATOM 0 HE22 GLN A 131 9.068 -21.405 1.094 1.00 0.00 H new