USER MOD reduce.3.24.130724 H: found=0, std=0, add=740, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 742 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 89 ASN :FLIP amide:sc= 0 F(o=-1,f=-0.13) USER MOD Set 1.2: A 94 TYR OH : rot 30:sc= -0.133 USER MOD Single : A 13 MET CE :methyl -110:sc= -0.131 (180deg=-1.01) USER MOD Single : A 22 ASN :FLIP amide:sc= -4! C(o=-8!,f=-4!) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= -1.95! C(o=-2!,f=-1.5!) USER MOD Single : A 34 ASN : amide:sc= -1.51 X(o=-1.5,f=-1.5!) USER MOD Single : A 35 MET CE :methyl 149:sc= -0.127 (180deg=-0.97) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 ASN : amide:sc= 0 X(o=0,f=-0.014) USER MOD Single : A 46 GLN : amide:sc= 0 K(o=0,f=-0.7) USER MOD Single : A 51 THR OG1 : rot 180:sc= 0.0673 USER MOD Single : A 55 THR OG1 : rot 180:sc=-0.000961 USER MOD Single : A 57 GLN : amide:sc= -0.887 K(o=-0.89,f=-2.4) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ 144:sc= 0.00304 (180deg=0) USER MOD Single : A 64 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.00995) USER MOD Single : A 66 HIS : no HD1:sc= -0.174 X(o=-0.17,f=0) USER MOD Single : A 69 THR OG1 : rot -22:sc= 0.1 USER MOD Single : A 71 MET CE :methyl -139:sc= -1.19 (180deg=-1.97!) USER MOD Single : A 75 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0307) USER MOD Single : A 76 GLN : amide:sc= -7.77! C(o=-7.8!,f=-15!) USER MOD Single : A 77 LYS NZ :NH3+ -161:sc= 0 (180deg=-0.244) USER MOD Single : A 79 GLN :FLIP amide:sc= -0.0683 F(o=-1.5,f=-0.068) USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 90 SER OG : rot 180:sc= -0.0138 USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD Single : A 95 ASN : amide:sc= -0.967 K(o=-0.97,f=-5.5!) USER MOD Single : A 96 MET CE :methyl -158:sc= -3.48! (180deg=-3.92!) USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 103 HIS : no HD1:sc= 0 X(o=0,f=-0.0011) USER MOD Single : A 107 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0447) USER MOD ----------------------------------------------------------------- ATOM 137 N MET A 13 -14.538 14.951 4.095 1.00 0.00 N ATOM 138 CA MET A 13 -15.330 14.876 2.873 1.00 0.00 C ATOM 139 C MET A 13 -15.567 13.425 2.467 1.00 0.00 C ATOM 140 O MET A 13 -14.929 12.502 2.974 1.00 0.00 O ATOM 141 CB MET A 13 -14.629 15.628 1.739 1.00 0.00 C ATOM 142 CG MET A 13 -15.197 17.015 1.487 1.00 0.00 C ATOM 143 SD MET A 13 -15.489 17.934 3.010 1.00 0.00 S ATOM 144 CE MET A 13 -13.822 18.060 3.653 1.00 0.00 C ATOM 0 HA MET A 13 -16.296 15.343 3.066 1.00 0.00 H new ATOM 0 HB2 MET A 13 -13.568 15.716 1.974 1.00 0.00 H new ATOM 0 HB3 MET A 13 -14.705 15.041 0.824 1.00 0.00 H new ATOM 0 HG2 MET A 13 -14.508 17.576 0.855 1.00 0.00 H new ATOM 0 HG3 MET A 13 -16.133 16.925 0.936 1.00 0.00 H new ATOM 0 HE1 MET A 13 -13.726 17.433 4.539 1.00 0.00 H new ATOM 0 HE2 MET A 13 -13.113 17.728 2.894 1.00 0.00 H new ATOM 0 HE3 MET A 13 -13.611 19.096 3.917 1.00 0.00 H new ATOM 154 N PRO A 14 -16.505 13.217 1.531 1.00 0.00 N ATOM 155 CA PRO A 14 -16.847 11.880 1.037 1.00 0.00 C ATOM 156 C PRO A 14 -15.732 11.271 0.194 1.00 0.00 C ATOM 157 O PRO A 14 -14.601 11.757 0.200 1.00 0.00 O ATOM 158 CB PRO A 14 -18.091 12.127 0.180 1.00 0.00 C ATOM 159 CG PRO A 14 -17.980 13.549 -0.249 1.00 0.00 C ATOM 160 CD PRO A 14 -17.304 14.271 0.883 1.00 0.00 C ATOM 0 HA PRO A 14 -17.006 11.173 1.851 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -18.120 11.456 -0.678 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -19.004 11.956 0.750 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -17.401 13.635 -1.168 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -18.963 13.974 -0.451 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -16.677 15.086 0.522 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -18.028 14.707 1.571 1.00 0.00 H new ATOM 168 N GLU A 15 -16.058 10.205 -0.531 1.00 0.00 N ATOM 169 CA GLU A 15 -15.082 9.531 -1.379 1.00 0.00 C ATOM 170 C GLU A 15 -15.378 9.781 -2.854 1.00 0.00 C ATOM 171 O GLU A 15 -14.464 9.936 -3.663 1.00 0.00 O ATOM 172 CB GLU A 15 -15.081 8.027 -1.096 1.00 0.00 C ATOM 173 CG GLU A 15 -13.887 7.297 -1.687 1.00 0.00 C ATOM 174 CD GLU A 15 -13.855 5.829 -1.310 1.00 0.00 C ATOM 175 OE1 GLU A 15 -13.634 5.526 -0.119 1.00 0.00 O ATOM 176 OE2 GLU A 15 -14.052 4.982 -2.207 1.00 0.00 O ATOM 0 H GLU A 15 -16.990 9.790 -0.548 1.00 0.00 H new ATOM 0 HA GLU A 15 -14.097 9.938 -1.150 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -15.095 7.869 -0.018 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -15.997 7.590 -1.495 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -13.911 7.389 -2.773 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -12.969 7.776 -1.347 1.00 0.00 H new ATOM 183 N GLU A 16 -16.662 9.819 -3.197 1.00 0.00 N ATOM 184 CA GLU A 16 -17.079 10.049 -4.575 1.00 0.00 C ATOM 185 C GLU A 16 -16.604 11.413 -5.066 1.00 0.00 C ATOM 186 O GLU A 16 -15.758 11.504 -5.955 1.00 0.00 O ATOM 187 CB GLU A 16 -18.601 9.953 -4.694 1.00 0.00 C ATOM 188 CG GLU A 16 -19.159 10.642 -5.928 1.00 0.00 C ATOM 189 CD GLU A 16 -20.451 10.012 -6.413 1.00 0.00 C ATOM 190 OE1 GLU A 16 -20.382 9.052 -7.209 1.00 0.00 O ATOM 191 OE2 GLU A 16 -21.531 10.480 -5.996 1.00 0.00 O ATOM 0 H GLU A 16 -17.431 9.693 -2.539 1.00 0.00 H new ATOM 0 HA GLU A 16 -16.625 9.279 -5.199 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -18.890 8.902 -4.713 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -19.055 10.393 -3.806 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -19.334 11.694 -5.704 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -18.418 10.605 -6.727 1.00 0.00 H new ATOM 198 N GLU A 17 -17.155 12.472 -4.480 1.00 0.00 N ATOM 199 CA GLU A 17 -16.789 13.831 -4.859 1.00 0.00 C ATOM 200 C GLU A 17 -15.295 14.068 -4.658 1.00 0.00 C ATOM 201 O GLU A 17 -14.621 14.625 -5.526 1.00 0.00 O ATOM 202 CB GLU A 17 -17.592 14.846 -4.042 1.00 0.00 C ATOM 203 CG GLU A 17 -19.066 14.893 -4.410 1.00 0.00 C ATOM 204 CD GLU A 17 -19.855 15.849 -3.535 1.00 0.00 C ATOM 205 OE1 GLU A 17 -19.638 17.073 -3.648 1.00 0.00 O ATOM 206 OE2 GLU A 17 -20.689 15.371 -2.738 1.00 0.00 O ATOM 0 H GLU A 17 -17.856 12.414 -3.741 1.00 0.00 H new ATOM 0 HA GLU A 17 -17.021 13.961 -5.916 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -17.498 14.604 -2.983 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -17.159 15.837 -4.182 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -19.167 15.193 -5.453 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -19.490 13.893 -4.324 1.00 0.00 H new ATOM 213 N PHE A 18 -14.784 13.643 -3.508 1.00 0.00 N ATOM 214 CA PHE A 18 -13.370 13.810 -3.191 1.00 0.00 C ATOM 215 C PHE A 18 -12.511 13.659 -4.443 1.00 0.00 C ATOM 216 O PHE A 18 -11.628 14.476 -4.706 1.00 0.00 O ATOM 217 CB PHE A 18 -12.938 12.790 -2.136 1.00 0.00 C ATOM 218 CG PHE A 18 -11.457 12.541 -2.114 1.00 0.00 C ATOM 219 CD1 PHE A 18 -10.602 13.426 -1.478 1.00 0.00 C ATOM 220 CD2 PHE A 18 -10.920 11.421 -2.728 1.00 0.00 C ATOM 221 CE1 PHE A 18 -9.239 13.200 -1.457 1.00 0.00 C ATOM 222 CE2 PHE A 18 -9.558 11.189 -2.710 1.00 0.00 C ATOM 223 CZ PHE A 18 -8.716 12.079 -2.073 1.00 0.00 C ATOM 0 H PHE A 18 -15.328 13.180 -2.779 1.00 0.00 H new ATOM 0 HA PHE A 18 -13.228 14.815 -2.793 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -13.254 13.140 -1.153 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -13.454 11.848 -2.320 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -11.005 14.303 -0.993 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -11.574 10.721 -3.227 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -8.583 13.899 -0.960 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -9.152 10.313 -3.194 1.00 0.00 H new ATOM 0 HZ PHE A 18 -7.651 11.899 -2.056 1.00 0.00 H new ATOM 233 N LEU A 19 -12.776 12.608 -5.211 1.00 0.00 N ATOM 234 CA LEU A 19 -12.027 12.348 -6.436 1.00 0.00 C ATOM 235 C LEU A 19 -12.220 13.478 -7.442 1.00 0.00 C ATOM 236 O LEU A 19 -11.263 13.938 -8.066 1.00 0.00 O ATOM 237 CB LEU A 19 -12.467 11.020 -7.053 1.00 0.00 C ATOM 238 CG LEU A 19 -12.385 9.796 -6.140 1.00 0.00 C ATOM 239 CD1 LEU A 19 -13.118 8.617 -6.761 1.00 0.00 C ATOM 240 CD2 LEU A 19 -10.933 9.435 -5.860 1.00 0.00 C ATOM 0 H LEU A 19 -13.503 11.922 -5.008 1.00 0.00 H new ATOM 0 HA LEU A 19 -10.969 12.290 -6.181 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -13.497 11.125 -7.395 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -11.855 10.832 -7.935 1.00 0.00 H new ATOM 0 HG LEU A 19 -12.867 10.040 -5.193 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -13.049 7.755 -6.097 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -14.166 8.877 -6.910 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -12.665 8.372 -7.722 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -10.894 8.562 -5.209 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -10.426 9.210 -6.799 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -10.437 10.274 -5.372 1.00 0.00 H new ATOM 252 N ARG A 20 -13.463 13.923 -7.594 1.00 0.00 N ATOM 253 CA ARG A 20 -13.782 15.000 -8.524 1.00 0.00 C ATOM 254 C ARG A 20 -12.992 16.261 -8.186 1.00 0.00 C ATOM 255 O ARG A 20 -12.614 17.025 -9.074 1.00 0.00 O ATOM 256 CB ARG A 20 -15.281 15.301 -8.495 1.00 0.00 C ATOM 257 CG ARG A 20 -16.154 14.066 -8.649 1.00 0.00 C ATOM 258 CD ARG A 20 -17.629 14.430 -8.706 1.00 0.00 C ATOM 259 NE ARG A 20 -18.427 13.383 -9.338 1.00 0.00 N ATOM 260 CZ ARG A 20 -19.625 13.593 -9.873 1.00 0.00 C ATOM 261 NH1 ARG A 20 -20.159 14.806 -9.853 1.00 0.00 N ATOM 262 NH2 ARG A 20 -20.290 12.589 -10.429 1.00 0.00 N ATOM 0 H ARG A 20 -14.266 13.554 -7.085 1.00 0.00 H new ATOM 0 HA ARG A 20 -13.504 14.675 -9.527 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -15.526 15.793 -7.554 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -15.517 16.004 -9.294 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -15.874 13.533 -9.557 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -15.977 13.388 -7.814 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -17.998 14.607 -7.696 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -17.751 15.362 -9.258 1.00 0.00 H new ATOM 0 HE ARG A 20 -18.044 12.438 -9.371 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -19.650 15.580 -9.426 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -21.079 14.965 -10.264 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -19.882 11.654 -10.446 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -21.210 12.752 -10.839 1.00 0.00 H new ATOM 276 N ARG A 21 -12.746 16.471 -6.897 1.00 0.00 N ATOM 277 CA ARG A 21 -12.003 17.640 -6.442 1.00 0.00 C ATOM 278 C ARG A 21 -10.517 17.495 -6.755 1.00 0.00 C ATOM 279 O ARG A 21 -10.000 18.131 -7.673 1.00 0.00 O ATOM 280 CB ARG A 21 -12.201 17.844 -4.939 1.00 0.00 C ATOM 281 CG ARG A 21 -13.659 17.987 -4.531 1.00 0.00 C ATOM 282 CD ARG A 21 -13.833 17.840 -3.027 1.00 0.00 C ATOM 283 NE ARG A 21 -13.297 18.987 -2.300 1.00 0.00 N ATOM 284 CZ ARG A 21 -13.959 20.126 -2.133 1.00 0.00 C ATOM 285 NH1 ARG A 21 -15.177 20.270 -2.639 1.00 0.00 N ATOM 286 NH2 ARG A 21 -13.404 21.125 -1.458 1.00 0.00 N ATOM 0 H ARG A 21 -13.050 15.847 -6.150 1.00 0.00 H new ATOM 0 HA ARG A 21 -12.385 18.512 -6.973 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -11.764 17.000 -4.406 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -11.656 18.735 -4.627 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -14.033 18.960 -4.848 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -14.257 17.233 -5.043 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -14.892 17.725 -2.794 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -13.333 16.932 -2.691 1.00 0.00 H new ATOM 0 HE ARG A 21 -12.363 18.909 -1.898 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -15.607 19.505 -3.158 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -15.683 21.146 -2.509 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -12.468 21.018 -1.067 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -13.913 21.999 -1.330 1.00 0.00 H new ATOM 300 N ASN A 22 -9.834 16.654 -5.984 1.00 0.00 N ATOM 301 CA ASN A 22 -8.407 16.426 -6.178 1.00 0.00 C ATOM 302 C ASN A 22 -8.158 15.546 -7.398 1.00 0.00 C ATOM 303 O ASN A 22 -9.063 14.869 -7.885 1.00 0.00 O ATOM 304 CB ASN A 22 -7.800 15.776 -4.933 1.00 0.00 C ATOM 305 CG ASN A 22 -8.799 14.915 -4.184 1.00 0.00 C ATOM 306 OD1 ASN A 22 -9.766 15.557 -3.540 1.00 0.00 O flip ATOM 307 ND2 ASN A 22 -8.702 13.688 -4.186 1.00 0.00 N flip ATOM 0 H ASN A 22 -10.246 16.119 -5.219 1.00 0.00 H new ATOM 0 HA ASN A 22 -7.929 17.391 -6.345 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -6.946 15.165 -5.225 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -7.424 16.553 -4.268 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -7.942 13.237 -4.695 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -9.382 13.122 -3.678 1.00 0.00 H new ATOM 314 N LYS A 23 -6.923 15.560 -7.889 1.00 0.00 N ATOM 315 CA LYS A 23 -6.552 14.762 -9.051 1.00 0.00 C ATOM 316 C LYS A 23 -5.123 14.243 -8.921 1.00 0.00 C ATOM 317 O LYS A 23 -4.168 15.018 -8.925 1.00 0.00 O ATOM 318 CB LYS A 23 -6.690 15.591 -10.330 1.00 0.00 C ATOM 319 CG LYS A 23 -7.832 16.592 -10.286 1.00 0.00 C ATOM 320 CD LYS A 23 -7.596 17.750 -11.240 1.00 0.00 C ATOM 321 CE LYS A 23 -8.054 17.413 -12.650 1.00 0.00 C ATOM 322 NZ LYS A 23 -8.379 18.636 -13.435 1.00 0.00 N ATOM 0 H LYS A 23 -6.162 16.116 -7.499 1.00 0.00 H new ATOM 0 HA LYS A 23 -7.227 13.908 -9.104 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -5.757 16.125 -10.509 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -6.840 14.918 -11.175 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -8.765 16.092 -10.544 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -7.944 16.973 -9.271 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -8.130 18.631 -10.884 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -6.536 18.003 -11.251 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -7.273 16.851 -13.161 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -8.932 16.768 -12.602 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -8.687 18.364 -14.390 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -9.142 19.160 -12.961 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -7.535 19.240 -13.503 1.00 0.00 H new ATOM 336 N GLY A 24 -4.985 12.925 -8.809 1.00 0.00 N ATOM 337 CA GLY A 24 -3.669 12.326 -8.681 1.00 0.00 C ATOM 338 C GLY A 24 -2.832 12.492 -9.933 1.00 0.00 C ATOM 339 O GLY A 24 -3.170 13.260 -10.834 1.00 0.00 O ATOM 0 H GLY A 24 -5.760 12.262 -8.805 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -3.148 12.778 -7.837 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -3.777 11.265 -8.458 1.00 0.00 H new ATOM 343 N PRO A 25 -1.709 11.761 -10.001 1.00 0.00 N ATOM 344 CA PRO A 25 -1.296 10.844 -8.934 1.00 0.00 C ATOM 345 C PRO A 25 -0.857 11.582 -7.674 1.00 0.00 C ATOM 346 O PRO A 25 -0.878 12.812 -7.623 1.00 0.00 O ATOM 347 CB PRO A 25 -0.116 10.091 -9.552 1.00 0.00 C ATOM 348 CG PRO A 25 0.426 11.017 -10.585 1.00 0.00 C ATOM 349 CD PRO A 25 -0.757 11.774 -11.123 1.00 0.00 C ATOM 0 HA PRO A 25 -2.112 10.196 -8.614 1.00 0.00 H new ATOM 0 HB2 PRO A 25 0.637 9.851 -8.801 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -0.437 9.148 -9.995 1.00 0.00 H new ATOM 0 HG2 PRO A 25 1.161 11.697 -10.153 1.00 0.00 H new ATOM 0 HG3 PRO A 25 0.930 10.465 -11.378 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -0.487 12.791 -11.409 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -1.173 11.293 -12.008 1.00 0.00 H new ATOM 357 N VAL A 26 -0.459 10.822 -6.658 1.00 0.00 N ATOM 358 CA VAL A 26 -0.013 11.404 -5.397 1.00 0.00 C ATOM 359 C VAL A 26 1.330 10.823 -4.969 1.00 0.00 C ATOM 360 O VAL A 26 1.603 9.642 -5.181 1.00 0.00 O ATOM 361 CB VAL A 26 -1.043 11.170 -4.276 1.00 0.00 C ATOM 362 CG1 VAL A 26 -2.356 11.863 -4.604 1.00 0.00 C ATOM 363 CG2 VAL A 26 -1.257 9.681 -4.052 1.00 0.00 C ATOM 0 H VAL A 26 -0.436 9.803 -6.684 1.00 0.00 H new ATOM 0 HA VAL A 26 0.095 12.476 -5.563 1.00 0.00 H new ATOM 0 HB VAL A 26 -0.654 11.600 -3.353 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -3.071 11.686 -3.801 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -2.186 12.934 -4.709 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -2.754 11.466 -5.538 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -1.988 9.534 -3.257 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -1.624 9.224 -4.971 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -0.313 9.216 -3.768 1.00 0.00 H new ATOM 373 N SER A 27 2.165 11.662 -4.364 1.00 0.00 N ATOM 374 CA SER A 27 3.482 11.233 -3.908 1.00 0.00 C ATOM 375 C SER A 27 3.492 11.024 -2.397 1.00 0.00 C ATOM 376 O SER A 27 3.506 11.984 -1.626 1.00 0.00 O ATOM 377 CB SER A 27 4.541 12.265 -4.298 1.00 0.00 C ATOM 378 OG SER A 27 5.798 11.947 -3.726 1.00 0.00 O ATOM 0 H SER A 27 1.953 12.642 -4.178 1.00 0.00 H new ATOM 0 HA SER A 27 3.715 10.284 -4.390 1.00 0.00 H new ATOM 0 HB2 SER A 27 4.632 12.305 -5.383 1.00 0.00 H new ATOM 0 HB3 SER A 27 4.228 13.255 -3.967 1.00 0.00 H new ATOM 0 HG SER A 27 6.458 12.621 -3.992 1.00 0.00 H new ATOM 384 N ILE A 28 3.484 9.762 -1.980 1.00 0.00 N ATOM 385 CA ILE A 28 3.493 9.426 -0.562 1.00 0.00 C ATOM 386 C ILE A 28 4.860 8.906 -0.129 1.00 0.00 C ATOM 387 O ILE A 28 5.577 8.284 -0.913 1.00 0.00 O ATOM 388 CB ILE A 28 2.424 8.369 -0.227 1.00 0.00 C ATOM 389 CG1 ILE A 28 2.749 7.045 -0.923 1.00 0.00 C ATOM 390 CG2 ILE A 28 1.044 8.863 -0.634 1.00 0.00 C ATOM 391 CD1 ILE A 28 2.138 5.840 -0.244 1.00 0.00 C ATOM 0 H ILE A 28 3.471 8.956 -2.604 1.00 0.00 H new ATOM 0 HA ILE A 28 3.267 10.344 -0.019 1.00 0.00 H new ATOM 0 HB ILE A 28 2.425 8.202 0.850 1.00 0.00 H new ATOM 0 HG12 ILE A 28 2.396 7.089 -1.953 1.00 0.00 H new ATOM 0 HG13 ILE A 28 3.831 6.920 -0.962 1.00 0.00 H new ATOM 0 HG21 ILE A 28 0.300 8.105 -0.391 1.00 0.00 H new ATOM 0 HG22 ILE A 28 0.814 9.783 -0.097 1.00 0.00 H new ATOM 0 HG23 ILE A 28 1.028 9.056 -1.707 1.00 0.00 H new ATOM 0 HD11 ILE A 28 2.410 4.937 -0.791 1.00 0.00 H new ATOM 0 HD12 ILE A 28 2.510 5.771 0.778 1.00 0.00 H new ATOM 0 HD13 ILE A 28 1.053 5.942 -0.229 1.00 0.00 H new ATOM 403 N LYS A 29 5.215 9.164 1.125 1.00 0.00 N ATOM 404 CA LYS A 29 6.494 8.721 1.665 1.00 0.00 C ATOM 405 C LYS A 29 6.289 7.711 2.790 1.00 0.00 C ATOM 406 O LYS A 29 5.538 7.961 3.733 1.00 0.00 O ATOM 407 CB LYS A 29 7.296 9.918 2.180 1.00 0.00 C ATOM 408 CG LYS A 29 8.775 9.624 2.368 1.00 0.00 C ATOM 409 CD LYS A 29 9.567 10.894 2.628 1.00 0.00 C ATOM 410 CE LYS A 29 11.013 10.586 2.983 1.00 0.00 C ATOM 411 NZ LYS A 29 11.664 11.720 3.695 1.00 0.00 N ATOM 0 H LYS A 29 4.634 9.678 1.787 1.00 0.00 H new ATOM 0 HA LYS A 29 7.051 8.237 0.863 1.00 0.00 H new ATOM 0 HB2 LYS A 29 7.185 10.747 1.481 1.00 0.00 H new ATOM 0 HB3 LYS A 29 6.875 10.244 3.131 1.00 0.00 H new ATOM 0 HG2 LYS A 29 8.907 8.935 3.202 1.00 0.00 H new ATOM 0 HG3 LYS A 29 9.164 9.127 1.479 1.00 0.00 H new ATOM 0 HD2 LYS A 29 9.536 11.531 1.744 1.00 0.00 H new ATOM 0 HD3 LYS A 29 9.103 11.454 3.440 1.00 0.00 H new ATOM 0 HE2 LYS A 29 11.051 9.695 3.609 1.00 0.00 H new ATOM 0 HE3 LYS A 29 11.570 10.361 2.074 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 12.648 11.470 3.919 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 11.651 12.564 3.088 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 11.148 11.919 4.576 1.00 0.00 H new ATOM 425 N VAL A 30 6.962 6.570 2.685 1.00 0.00 N ATOM 426 CA VAL A 30 6.855 5.523 3.695 1.00 0.00 C ATOM 427 C VAL A 30 8.006 5.602 4.692 1.00 0.00 C ATOM 428 O VAL A 30 9.146 5.275 4.365 1.00 0.00 O ATOM 429 CB VAL A 30 6.842 4.123 3.053 1.00 0.00 C ATOM 430 CG1 VAL A 30 6.820 3.044 4.125 1.00 0.00 C ATOM 431 CG2 VAL A 30 5.653 3.979 2.115 1.00 0.00 C ATOM 0 H VAL A 30 7.587 6.347 1.911 1.00 0.00 H new ATOM 0 HA VAL A 30 5.912 5.683 4.219 1.00 0.00 H new ATOM 0 HB VAL A 30 7.754 4.001 2.468 1.00 0.00 H new ATOM 0 HG11 VAL A 30 6.811 2.062 3.652 1.00 0.00 H new ATOM 0 HG12 VAL A 30 7.706 3.137 4.753 1.00 0.00 H new ATOM 0 HG13 VAL A 30 5.927 3.159 4.739 1.00 0.00 H new ATOM 0 HG21 VAL A 30 5.659 2.984 1.670 1.00 0.00 H new ATOM 0 HG22 VAL A 30 4.729 4.120 2.675 1.00 0.00 H new ATOM 0 HG23 VAL A 30 5.718 4.729 1.327 1.00 0.00 H new ATOM 441 N GLN A 31 7.698 6.038 5.909 1.00 0.00 N ATOM 442 CA GLN A 31 8.707 6.160 6.954 1.00 0.00 C ATOM 443 C GLN A 31 9.123 4.788 7.472 1.00 0.00 C ATOM 444 O GLN A 31 8.462 4.213 8.338 1.00 0.00 O ATOM 445 CB GLN A 31 8.177 7.015 8.107 1.00 0.00 C ATOM 446 CG GLN A 31 9.268 7.547 9.022 1.00 0.00 C ATOM 447 CD GLN A 31 9.960 6.448 9.805 1.00 0.00 C ATOM 448 OE1 GLN A 31 9.427 5.946 10.795 1.00 0.00 O ATOM 449 NE2 GLN A 31 11.155 6.070 9.365 1.00 0.00 N ATOM 0 H GLN A 31 6.758 6.312 6.195 1.00 0.00 H new ATOM 0 HA GLN A 31 9.583 6.646 6.523 1.00 0.00 H new ATOM 0 HB2 GLN A 31 7.616 7.855 7.697 1.00 0.00 H new ATOM 0 HB3 GLN A 31 7.477 6.422 8.696 1.00 0.00 H new ATOM 0 HG2 GLN A 31 10.006 8.084 8.427 1.00 0.00 H new ATOM 0 HG3 GLN A 31 8.835 8.266 9.717 1.00 0.00 H new ATOM 0 HE21 GLN A 31 11.559 6.514 8.540 1.00 0.00 H new ATOM 0 HE22 GLN A 31 11.669 5.336 9.852 1.00 0.00 H new ATOM 458 N VAL A 32 10.223 4.267 6.937 1.00 0.00 N ATOM 459 CA VAL A 32 10.727 2.961 7.346 1.00 0.00 C ATOM 460 C VAL A 32 11.645 3.082 8.557 1.00 0.00 C ATOM 461 O VAL A 32 12.707 3.702 8.503 1.00 0.00 O ATOM 462 CB VAL A 32 11.494 2.272 6.201 1.00 0.00 C ATOM 463 CG1 VAL A 32 11.854 0.845 6.583 1.00 0.00 C ATOM 464 CG2 VAL A 32 10.674 2.299 4.920 1.00 0.00 C ATOM 0 H VAL A 32 10.782 4.729 6.220 1.00 0.00 H new ATOM 0 HA VAL A 32 9.860 2.355 7.609 1.00 0.00 H new ATOM 0 HB VAL A 32 12.420 2.820 6.025 1.00 0.00 H new ATOM 0 HG11 VAL A 32 12.395 0.374 5.762 1.00 0.00 H new ATOM 0 HG12 VAL A 32 12.482 0.854 7.474 1.00 0.00 H new ATOM 0 HG13 VAL A 32 10.943 0.282 6.787 1.00 0.00 H new ATOM 0 HG21 VAL A 32 11.230 1.808 4.121 1.00 0.00 H new ATOM 0 HG22 VAL A 32 9.731 1.776 5.080 1.00 0.00 H new ATOM 0 HG23 VAL A 32 10.472 3.333 4.639 1.00 0.00 H new ATOM 474 N PRO A 33 11.229 2.474 9.678 1.00 0.00 N ATOM 475 CA PRO A 33 11.999 2.498 10.925 1.00 0.00 C ATOM 476 C PRO A 33 13.276 1.669 10.833 1.00 0.00 C ATOM 477 O PRO A 33 13.592 1.113 9.782 1.00 0.00 O ATOM 478 CB PRO A 33 11.038 1.888 11.948 1.00 0.00 C ATOM 479 CG PRO A 33 10.124 1.030 11.144 1.00 0.00 C ATOM 480 CD PRO A 33 9.973 1.717 9.815 1.00 0.00 C ATOM 0 HA PRO A 33 12.331 3.505 11.180 1.00 0.00 H new ATOM 0 HB2 PRO A 33 11.574 1.303 12.696 1.00 0.00 H new ATOM 0 HB3 PRO A 33 10.487 2.661 12.483 1.00 0.00 H new ATOM 0 HG2 PRO A 33 10.537 0.029 11.021 1.00 0.00 H new ATOM 0 HG3 PRO A 33 9.159 0.919 11.638 1.00 0.00 H new ATOM 0 HD2 PRO A 33 9.845 1.000 9.004 1.00 0.00 H new ATOM 0 HD3 PRO A 33 9.104 2.374 9.799 1.00 0.00 H new ATOM 488 N ASN A 34 14.006 1.591 11.941 1.00 0.00 N ATOM 489 CA ASN A 34 15.249 0.829 11.985 1.00 0.00 C ATOM 490 C ASN A 34 15.125 -0.360 12.932 1.00 0.00 C ATOM 491 O ASN A 34 14.951 -0.190 14.139 1.00 0.00 O ATOM 492 CB ASN A 34 16.407 1.727 12.425 1.00 0.00 C ATOM 493 CG ASN A 34 17.482 0.961 13.170 1.00 0.00 C ATOM 494 OD1 ASN A 34 17.281 0.536 14.308 1.00 0.00 O ATOM 495 ND2 ASN A 34 18.632 0.781 12.531 1.00 0.00 N ATOM 0 H ASN A 34 13.759 2.046 12.820 1.00 0.00 H new ATOM 0 HA ASN A 34 15.451 0.453 10.982 1.00 0.00 H new ATOM 0 HB2 ASN A 34 16.846 2.204 11.549 1.00 0.00 H new ATOM 0 HB3 ASN A 34 16.024 2.523 13.063 1.00 0.00 H new ATOM 0 HD21 ASN A 34 19.392 0.273 12.983 1.00 0.00 H new ATOM 0 HD22 ASN A 34 18.755 1.151 11.588 1.00 0.00 H new ATOM 502 N MET A 35 15.216 -1.564 12.377 1.00 0.00 N ATOM 503 CA MET A 35 15.116 -2.782 13.173 1.00 0.00 C ATOM 504 C MET A 35 16.481 -3.447 13.323 1.00 0.00 C ATOM 505 O MET A 35 16.999 -4.040 12.377 1.00 0.00 O ATOM 506 CB MET A 35 14.128 -3.758 12.529 1.00 0.00 C ATOM 507 CG MET A 35 12.679 -3.487 12.899 1.00 0.00 C ATOM 508 SD MET A 35 12.372 -3.652 14.668 1.00 0.00 S ATOM 509 CE MET A 35 11.824 -1.996 15.073 1.00 0.00 C ATOM 0 H MET A 35 15.359 -1.722 11.380 1.00 0.00 H new ATOM 0 HA MET A 35 14.753 -2.510 14.164 1.00 0.00 H new ATOM 0 HB2 MET A 35 14.234 -3.707 11.445 1.00 0.00 H new ATOM 0 HB3 MET A 35 14.387 -4.774 12.827 1.00 0.00 H new ATOM 0 HG2 MET A 35 12.409 -2.481 12.579 1.00 0.00 H new ATOM 0 HG3 MET A 35 12.034 -4.178 12.356 1.00 0.00 H new ATOM 0 HE1 MET A 35 11.112 -2.040 15.897 1.00 0.00 H new ATOM 0 HE2 MET A 35 12.682 -1.391 15.366 1.00 0.00 H new ATOM 0 HE3 MET A 35 11.345 -1.548 14.202 1.00 0.00 H new ATOM 584 N GLU A 40 14.536 -10.128 9.472 1.00 0.00 N ATOM 585 CA GLU A 40 14.640 -10.327 8.031 1.00 0.00 C ATOM 586 C GLU A 40 13.878 -9.242 7.276 1.00 0.00 C ATOM 587 O GLU A 40 13.313 -9.492 6.211 1.00 0.00 O ATOM 588 CB GLU A 40 14.101 -11.706 7.645 1.00 0.00 C ATOM 589 CG GLU A 40 12.648 -11.923 8.032 1.00 0.00 C ATOM 590 CD GLU A 40 12.019 -13.096 7.306 1.00 0.00 C ATOM 591 OE1 GLU A 40 12.093 -14.227 7.833 1.00 0.00 O ATOM 592 OE2 GLU A 40 11.454 -12.885 6.213 1.00 0.00 O ATOM 0 HA GLU A 40 15.693 -10.266 7.756 1.00 0.00 H new ATOM 0 HB2 GLU A 40 14.205 -11.839 6.568 1.00 0.00 H new ATOM 0 HB3 GLU A 40 14.713 -12.472 8.121 1.00 0.00 H new ATOM 0 HG2 GLU A 40 12.583 -12.089 9.107 1.00 0.00 H new ATOM 0 HG3 GLU A 40 12.079 -11.019 7.815 1.00 0.00 H new ATOM 599 N TRP A 41 13.869 -8.037 7.834 1.00 0.00 N ATOM 600 CA TRP A 41 13.177 -6.913 7.214 1.00 0.00 C ATOM 601 C TRP A 41 14.150 -5.784 6.894 1.00 0.00 C ATOM 602 O TRP A 41 14.905 -5.337 7.758 1.00 0.00 O ATOM 603 CB TRP A 41 12.067 -6.400 8.133 1.00 0.00 C ATOM 604 CG TRP A 41 11.124 -7.475 8.582 1.00 0.00 C ATOM 605 CD1 TRP A 41 10.779 -8.603 7.893 1.00 0.00 C ATOM 606 CD2 TRP A 41 10.404 -7.522 9.819 1.00 0.00 C ATOM 607 NE1 TRP A 41 9.888 -9.348 8.627 1.00 0.00 N ATOM 608 CE2 TRP A 41 9.642 -8.707 9.812 1.00 0.00 C ATOM 609 CE3 TRP A 41 10.330 -6.680 10.931 1.00 0.00 C ATOM 610 CZ2 TRP A 41 8.818 -9.067 10.875 1.00 0.00 C ATOM 611 CZ3 TRP A 41 9.511 -7.039 11.985 1.00 0.00 C ATOM 612 CH2 TRP A 41 8.764 -8.224 11.951 1.00 0.00 C ATOM 0 H TRP A 41 14.333 -7.813 8.714 1.00 0.00 H new ATOM 0 HA TRP A 41 12.734 -7.262 6.281 1.00 0.00 H new ATOM 0 HB2 TRP A 41 12.517 -5.932 9.009 1.00 0.00 H new ATOM 0 HB3 TRP A 41 11.503 -5.626 7.613 1.00 0.00 H new ATOM 0 HD1 TRP A 41 11.152 -8.870 6.915 1.00 0.00 H new ATOM 0 HE1 TRP A 41 9.476 -10.235 8.336 1.00 0.00 H new ATOM 0 HE3 TRP A 41 10.902 -5.765 10.967 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 8.242 -9.980 10.851 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 9.446 -6.395 12.850 1.00 0.00 H new ATOM 0 HH2 TRP A 41 8.133 -8.477 12.791 1.00 0.00 H new ATOM 623 N LYS A 42 14.128 -5.325 5.647 1.00 0.00 N ATOM 624 CA LYS A 42 15.008 -4.247 5.212 1.00 0.00 C ATOM 625 C LYS A 42 14.602 -2.923 5.851 1.00 0.00 C ATOM 626 O LYS A 42 14.116 -2.017 5.172 1.00 0.00 O ATOM 627 CB LYS A 42 14.978 -4.120 3.687 1.00 0.00 C ATOM 628 CG LYS A 42 15.662 -5.270 2.968 1.00 0.00 C ATOM 629 CD LYS A 42 16.027 -4.897 1.541 1.00 0.00 C ATOM 630 CE LYS A 42 16.148 -6.128 0.657 1.00 0.00 C ATOM 631 NZ LYS A 42 17.377 -6.912 0.962 1.00 0.00 N ATOM 0 H LYS A 42 13.510 -5.683 4.919 1.00 0.00 H new ATOM 0 HA LYS A 42 16.022 -4.488 5.530 1.00 0.00 H new ATOM 0 HB2 LYS A 42 13.941 -4.061 3.356 1.00 0.00 H new ATOM 0 HB3 LYS A 42 15.459 -3.185 3.399 1.00 0.00 H new ATOM 0 HG2 LYS A 42 16.562 -5.556 3.512 1.00 0.00 H new ATOM 0 HG3 LYS A 42 15.004 -6.139 2.961 1.00 0.00 H new ATOM 0 HD2 LYS A 42 15.269 -4.228 1.133 1.00 0.00 H new ATOM 0 HD3 LYS A 42 16.970 -4.350 1.537 1.00 0.00 H new ATOM 0 HE2 LYS A 42 15.271 -6.760 0.793 1.00 0.00 H new ATOM 0 HE3 LYS A 42 16.162 -5.824 -0.390 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 17.423 -7.743 0.338 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 18.216 -6.317 0.808 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 17.352 -7.225 1.954 1.00 0.00 H new ATOM 645 N LEU A 43 14.805 -2.815 7.159 1.00 0.00 N ATOM 646 CA LEU A 43 14.461 -1.600 7.890 1.00 0.00 C ATOM 647 C LEU A 43 15.708 -0.945 8.475 1.00 0.00 C ATOM 648 O LEU A 43 16.223 -1.378 9.505 1.00 0.00 O ATOM 649 CB LEU A 43 13.465 -1.918 9.007 1.00 0.00 C ATOM 650 CG LEU A 43 12.282 -2.805 8.619 1.00 0.00 C ATOM 651 CD1 LEU A 43 11.592 -3.348 9.862 1.00 0.00 C ATOM 652 CD2 LEU A 43 11.296 -2.032 7.755 1.00 0.00 C ATOM 0 H LEU A 43 15.206 -3.554 7.736 1.00 0.00 H new ATOM 0 HA LEU A 43 14.001 -0.902 7.190 1.00 0.00 H new ATOM 0 HB2 LEU A 43 14.005 -2.402 9.821 1.00 0.00 H new ATOM 0 HB3 LEU A 43 13.076 -0.978 9.398 1.00 0.00 H new ATOM 0 HG LEU A 43 12.659 -3.648 8.040 1.00 0.00 H new ATOM 0 HD11 LEU A 43 10.752 -3.977 9.567 1.00 0.00 H new ATOM 0 HD12 LEU A 43 12.301 -3.938 10.443 1.00 0.00 H new ATOM 0 HD13 LEU A 43 11.228 -2.518 10.468 1.00 0.00 H new ATOM 0 HD21 LEU A 43 10.461 -2.679 7.488 1.00 0.00 H new ATOM 0 HD22 LEU A 43 10.925 -1.170 8.309 1.00 0.00 H new ATOM 0 HD23 LEU A 43 11.796 -1.692 6.848 1.00 0.00 H new ATOM 664 N ASN A 44 16.187 0.102 7.812 1.00 0.00 N ATOM 665 CA ASN A 44 17.373 0.818 8.268 1.00 0.00 C ATOM 666 C ASN A 44 17.154 2.327 8.207 1.00 0.00 C ATOM 667 O ASN A 44 17.808 3.029 7.437 1.00 0.00 O ATOM 668 CB ASN A 44 18.585 0.433 7.417 1.00 0.00 C ATOM 669 CG ASN A 44 19.111 -0.950 7.752 1.00 0.00 C ATOM 670 OD1 ASN A 44 18.541 -1.960 7.339 1.00 0.00 O ATOM 671 ND2 ASN A 44 20.204 -1.000 8.504 1.00 0.00 N ATOM 0 H ASN A 44 15.772 0.474 6.957 1.00 0.00 H new ATOM 0 HA ASN A 44 17.561 0.537 9.304 1.00 0.00 H new ATOM 0 HB2 ASN A 44 18.311 0.469 6.363 1.00 0.00 H new ATOM 0 HB3 ASN A 44 19.378 1.166 7.566 1.00 0.00 H new ATOM 0 HD21 ASN A 44 20.605 -1.902 8.762 1.00 0.00 H new ATOM 0 HD22 ASN A 44 20.643 -0.137 8.824 1.00 0.00 H new ATOM 678 N GLY A 45 16.229 2.818 9.027 1.00 0.00 N ATOM 679 CA GLY A 45 15.941 4.240 9.051 1.00 0.00 C ATOM 680 C GLY A 45 16.050 4.878 7.681 1.00 0.00 C ATOM 681 O GLY A 45 17.104 5.396 7.313 1.00 0.00 O ATOM 0 H GLY A 45 15.675 2.257 9.674 1.00 0.00 H new ATOM 0 HA2 GLY A 45 14.936 4.397 9.442 1.00 0.00 H new ATOM 0 HA3 GLY A 45 16.630 4.735 9.735 1.00 0.00 H new ATOM 685 N GLN A 46 14.959 4.839 6.923 1.00 0.00 N ATOM 686 CA GLN A 46 14.939 5.416 5.584 1.00 0.00 C ATOM 687 C GLN A 46 13.516 5.773 5.166 1.00 0.00 C ATOM 688 O GLN A 46 12.578 5.646 5.952 1.00 0.00 O ATOM 689 CB GLN A 46 15.549 4.440 4.576 1.00 0.00 C ATOM 690 CG GLN A 46 14.766 3.145 4.432 1.00 0.00 C ATOM 691 CD GLN A 46 15.399 2.188 3.442 1.00 0.00 C ATOM 692 OE1 GLN A 46 16.147 2.599 2.554 1.00 0.00 O ATOM 693 NE2 GLN A 46 15.102 0.902 3.588 1.00 0.00 N ATOM 0 H GLN A 46 14.078 4.414 7.213 1.00 0.00 H new ATOM 0 HA GLN A 46 15.533 6.329 5.601 1.00 0.00 H new ATOM 0 HB2 GLN A 46 15.611 4.927 3.603 1.00 0.00 H new ATOM 0 HB3 GLN A 46 16.569 4.206 4.881 1.00 0.00 H new ATOM 0 HG2 GLN A 46 14.692 2.659 5.405 1.00 0.00 H new ATOM 0 HG3 GLN A 46 13.749 3.373 4.112 1.00 0.00 H new ATOM 0 HE21 GLN A 46 14.478 0.605 4.338 1.00 0.00 H new ATOM 0 HE22 GLN A 46 15.498 0.211 2.950 1.00 0.00 H new ATOM 702 N GLY A 47 13.363 6.220 3.924 1.00 0.00 N ATOM 703 CA GLY A 47 12.052 6.589 3.424 1.00 0.00 C ATOM 704 C GLY A 47 11.806 6.088 2.015 1.00 0.00 C ATOM 705 O GLY A 47 12.609 6.330 1.113 1.00 0.00 O ATOM 0 H GLY A 47 14.124 6.333 3.255 1.00 0.00 H new ATOM 0 HA2 GLY A 47 11.287 6.187 4.088 1.00 0.00 H new ATOM 0 HA3 GLY A 47 11.952 7.674 3.443 1.00 0.00 H new ATOM 709 N LEU A 48 10.695 5.385 1.824 1.00 0.00 N ATOM 710 CA LEU A 48 10.346 4.846 0.514 1.00 0.00 C ATOM 711 C LEU A 48 9.149 5.583 -0.077 1.00 0.00 C ATOM 712 O LEU A 48 8.039 5.510 0.451 1.00 0.00 O ATOM 713 CB LEU A 48 10.038 3.352 0.621 1.00 0.00 C ATOM 714 CG LEU A 48 11.133 2.483 1.241 1.00 0.00 C ATOM 715 CD1 LEU A 48 10.665 1.042 1.366 1.00 0.00 C ATOM 716 CD2 LEU A 48 12.408 2.562 0.414 1.00 0.00 C ATOM 0 H LEU A 48 10.020 5.175 2.560 1.00 0.00 H new ATOM 0 HA LEU A 48 11.200 4.988 -0.149 1.00 0.00 H new ATOM 0 HB2 LEU A 48 9.129 3.230 1.210 1.00 0.00 H new ATOM 0 HB3 LEU A 48 9.824 2.973 -0.378 1.00 0.00 H new ATOM 0 HG LEU A 48 11.348 2.861 2.241 1.00 0.00 H new ATOM 0 HD11 LEU A 48 11.458 0.439 1.809 1.00 0.00 H new ATOM 0 HD12 LEU A 48 9.780 1.001 2.001 1.00 0.00 H new ATOM 0 HD13 LEU A 48 10.422 0.652 0.378 1.00 0.00 H new ATOM 0 HD21 LEU A 48 13.177 1.938 0.870 1.00 0.00 H new ATOM 0 HD22 LEU A 48 12.208 2.210 -0.598 1.00 0.00 H new ATOM 0 HD23 LEU A 48 12.754 3.595 0.377 1.00 0.00 H new ATOM 728 N VAL A 49 9.380 6.291 -1.178 1.00 0.00 N ATOM 729 CA VAL A 49 8.320 7.039 -1.843 1.00 0.00 C ATOM 730 C VAL A 49 7.725 6.240 -2.997 1.00 0.00 C ATOM 731 O VAL A 49 8.436 5.529 -3.706 1.00 0.00 O ATOM 732 CB VAL A 49 8.836 8.388 -2.379 1.00 0.00 C ATOM 733 CG1 VAL A 49 7.712 9.159 -3.054 1.00 0.00 C ATOM 734 CG2 VAL A 49 9.455 9.206 -1.256 1.00 0.00 C ATOM 0 H VAL A 49 10.292 6.362 -1.628 1.00 0.00 H new ATOM 0 HA VAL A 49 7.547 7.225 -1.097 1.00 0.00 H new ATOM 0 HB VAL A 49 9.608 8.192 -3.123 1.00 0.00 H new ATOM 0 HG11 VAL A 49 8.095 10.109 -3.426 1.00 0.00 H new ATOM 0 HG12 VAL A 49 7.319 8.575 -3.886 1.00 0.00 H new ATOM 0 HG13 VAL A 49 6.916 9.346 -2.334 1.00 0.00 H new ATOM 0 HG21 VAL A 49 9.814 10.156 -1.653 1.00 0.00 H new ATOM 0 HG22 VAL A 49 8.706 9.394 -0.487 1.00 0.00 H new ATOM 0 HG23 VAL A 49 10.290 8.655 -0.822 1.00 0.00 H new ATOM 744 N PHE A 50 6.414 6.363 -3.180 1.00 0.00 N ATOM 745 CA PHE A 50 5.722 5.651 -4.248 1.00 0.00 C ATOM 746 C PHE A 50 4.635 6.525 -4.867 1.00 0.00 C ATOM 747 O PHE A 50 3.683 6.923 -4.195 1.00 0.00 O ATOM 748 CB PHE A 50 5.107 4.356 -3.712 1.00 0.00 C ATOM 749 CG PHE A 50 6.020 3.595 -2.794 1.00 0.00 C ATOM 750 CD1 PHE A 50 7.294 3.234 -3.204 1.00 0.00 C ATOM 751 CD2 PHE A 50 5.604 3.239 -1.521 1.00 0.00 C ATOM 752 CE1 PHE A 50 8.136 2.534 -2.362 1.00 0.00 C ATOM 753 CE2 PHE A 50 6.443 2.539 -0.674 1.00 0.00 C ATOM 754 CZ PHE A 50 7.710 2.185 -1.096 1.00 0.00 C ATOM 0 H PHE A 50 5.810 6.949 -2.603 1.00 0.00 H new ATOM 0 HA PHE A 50 6.451 5.406 -5.020 1.00 0.00 H new ATOM 0 HB2 PHE A 50 4.186 4.593 -3.180 1.00 0.00 H new ATOM 0 HB3 PHE A 50 4.835 3.717 -4.552 1.00 0.00 H new ATOM 0 HD1 PHE A 50 7.632 3.503 -4.194 1.00 0.00 H new ATOM 0 HD2 PHE A 50 4.614 3.511 -1.187 1.00 0.00 H new ATOM 0 HE1 PHE A 50 9.127 2.260 -2.694 1.00 0.00 H new ATOM 0 HE2 PHE A 50 6.108 2.269 0.317 1.00 0.00 H new ATOM 0 HZ PHE A 50 8.366 1.636 -0.437 1.00 0.00 H new ATOM 764 N THR A 51 4.783 6.820 -6.155 1.00 0.00 N ATOM 765 CA THR A 51 3.817 7.647 -6.866 1.00 0.00 C ATOM 766 C THR A 51 2.652 6.811 -7.383 1.00 0.00 C ATOM 767 O THR A 51 2.772 6.121 -8.397 1.00 0.00 O ATOM 768 CB THR A 51 4.471 8.383 -8.051 1.00 0.00 C ATOM 769 OG1 THR A 51 5.471 7.553 -8.651 1.00 0.00 O ATOM 770 CG2 THR A 51 5.098 9.692 -7.595 1.00 0.00 C ATOM 0 H THR A 51 5.564 6.498 -6.727 1.00 0.00 H new ATOM 0 HA THR A 51 3.445 8.382 -6.152 1.00 0.00 H new ATOM 0 HB THR A 51 3.696 8.606 -8.785 1.00 0.00 H new ATOM 0 HG1 THR A 51 5.881 8.027 -9.404 1.00 0.00 H new ATOM 0 HG21 THR A 51 5.554 10.194 -8.449 1.00 0.00 H new ATOM 0 HG22 THR A 51 4.329 10.333 -7.165 1.00 0.00 H new ATOM 0 HG23 THR A 51 5.861 9.488 -6.844 1.00 0.00 H new ATOM 778 N LEU A 52 1.526 6.876 -6.682 1.00 0.00 N ATOM 779 CA LEU A 52 0.338 6.125 -7.071 1.00 0.00 C ATOM 780 C LEU A 52 -0.928 6.940 -6.824 1.00 0.00 C ATOM 781 O LEU A 52 -1.070 7.618 -5.806 1.00 0.00 O ATOM 782 CB LEU A 52 0.267 4.807 -6.297 1.00 0.00 C ATOM 783 CG LEU A 52 1.584 4.042 -6.154 1.00 0.00 C ATOM 784 CD1 LEU A 52 1.586 3.220 -4.874 1.00 0.00 C ATOM 785 CD2 LEU A 52 1.817 3.149 -7.364 1.00 0.00 C ATOM 0 H LEU A 52 1.411 7.441 -5.841 1.00 0.00 H new ATOM 0 HA LEU A 52 0.408 5.911 -8.137 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -0.120 5.015 -5.299 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -0.456 4.157 -6.790 1.00 0.00 H new ATOM 0 HG LEU A 52 2.398 4.765 -6.100 1.00 0.00 H new ATOM 0 HD11 LEU A 52 2.530 2.682 -4.788 1.00 0.00 H new ATOM 0 HD12 LEU A 52 1.466 3.882 -4.016 1.00 0.00 H new ATOM 0 HD13 LEU A 52 0.763 2.506 -4.899 1.00 0.00 H new ATOM 0 HD21 LEU A 52 2.758 2.613 -7.245 1.00 0.00 H new ATOM 0 HD22 LEU A 52 1.000 2.433 -7.450 1.00 0.00 H new ATOM 0 HD23 LEU A 52 1.860 3.761 -8.265 1.00 0.00 H new ATOM 797 N PRO A 53 -1.870 6.874 -7.776 1.00 0.00 N ATOM 798 CA PRO A 53 -3.141 7.598 -7.684 1.00 0.00 C ATOM 799 C PRO A 53 -4.054 7.030 -6.602 1.00 0.00 C ATOM 800 O PRO A 53 -3.881 5.892 -6.164 1.00 0.00 O ATOM 801 CB PRO A 53 -3.764 7.399 -9.068 1.00 0.00 C ATOM 802 CG PRO A 53 -3.162 6.135 -9.577 1.00 0.00 C ATOM 803 CD PRO A 53 -1.767 6.086 -9.016 1.00 0.00 C ATOM 0 HA PRO A 53 -2.996 8.644 -7.414 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -4.850 7.323 -9.006 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -3.540 8.238 -9.727 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -3.742 5.270 -9.257 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -3.145 6.122 -10.667 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -1.450 5.062 -8.816 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -1.041 6.516 -9.706 1.00 0.00 H new ATOM 811 N LEU A 54 -5.027 7.828 -6.176 1.00 0.00 N ATOM 812 CA LEU A 54 -5.968 7.404 -5.146 1.00 0.00 C ATOM 813 C LEU A 54 -7.139 6.641 -5.758 1.00 0.00 C ATOM 814 O LEU A 54 -8.187 7.219 -6.050 1.00 0.00 O ATOM 815 CB LEU A 54 -6.486 8.617 -4.370 1.00 0.00 C ATOM 816 CG LEU A 54 -5.428 9.624 -3.916 1.00 0.00 C ATOM 817 CD1 LEU A 54 -6.016 11.025 -3.856 1.00 0.00 C ATOM 818 CD2 LEU A 54 -4.858 9.224 -2.562 1.00 0.00 C ATOM 0 H LEU A 54 -5.185 8.772 -6.528 1.00 0.00 H new ATOM 0 HA LEU A 54 -5.443 6.739 -4.461 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -7.212 9.139 -4.993 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -7.020 8.259 -3.490 1.00 0.00 H new ATOM 0 HG LEU A 54 -4.617 9.624 -4.644 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -5.249 11.728 -3.531 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -6.375 11.311 -4.844 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -6.846 11.041 -3.149 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -4.107 9.951 -2.254 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -5.659 9.196 -1.824 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -4.399 8.238 -2.637 1.00 0.00 H new ATOM 830 N THR A 55 -6.954 5.339 -5.949 1.00 0.00 N ATOM 831 CA THR A 55 -7.994 4.496 -6.525 1.00 0.00 C ATOM 832 C THR A 55 -8.269 3.283 -5.644 1.00 0.00 C ATOM 833 O THR A 55 -9.406 3.048 -5.233 1.00 0.00 O ATOM 834 CB THR A 55 -7.609 4.014 -7.937 1.00 0.00 C ATOM 835 OG1 THR A 55 -6.261 3.530 -7.939 1.00 0.00 O ATOM 836 CG2 THR A 55 -7.750 5.140 -8.950 1.00 0.00 C ATOM 0 H THR A 55 -6.093 4.845 -5.713 1.00 0.00 H new ATOM 0 HA THR A 55 -8.895 5.106 -6.590 1.00 0.00 H new ATOM 0 HB THR A 55 -8.285 3.206 -8.218 1.00 0.00 H new ATOM 0 HG1 THR A 55 -6.025 3.224 -8.839 1.00 0.00 H new ATOM 0 HG21 THR A 55 -7.473 4.776 -9.939 1.00 0.00 H new ATOM 0 HG22 THR A 55 -8.783 5.487 -8.967 1.00 0.00 H new ATOM 0 HG23 THR A 55 -7.095 5.965 -8.670 1.00 0.00 H new ATOM 844 N ASP A 56 -7.223 2.515 -5.358 1.00 0.00 N ATOM 845 CA ASP A 56 -7.353 1.326 -4.524 1.00 0.00 C ATOM 846 C ASP A 56 -7.276 1.690 -3.044 1.00 0.00 C ATOM 847 O ASP A 56 -7.218 2.866 -2.687 1.00 0.00 O ATOM 848 CB ASP A 56 -6.261 0.313 -4.870 1.00 0.00 C ATOM 849 CG ASP A 56 -6.642 -0.572 -6.040 1.00 0.00 C ATOM 850 OD1 ASP A 56 -7.722 -1.196 -5.985 1.00 0.00 O ATOM 851 OD2 ASP A 56 -5.860 -0.640 -7.011 1.00 0.00 O ATOM 0 H ASP A 56 -6.276 2.695 -5.691 1.00 0.00 H new ATOM 0 HA ASP A 56 -8.328 0.879 -4.720 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -5.338 0.844 -5.105 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -6.058 -0.309 -3.999 1.00 0.00 H new ATOM 856 N GLN A 57 -7.278 0.673 -2.189 1.00 0.00 N ATOM 857 CA GLN A 57 -7.211 0.886 -0.748 1.00 0.00 C ATOM 858 C GLN A 57 -5.781 0.726 -0.241 1.00 0.00 C ATOM 859 O GLN A 57 -4.891 0.310 -0.982 1.00 0.00 O ATOM 860 CB GLN A 57 -8.135 -0.093 -0.023 1.00 0.00 C ATOM 861 CG GLN A 57 -9.556 -0.101 -0.561 1.00 0.00 C ATOM 862 CD GLN A 57 -10.450 -1.088 0.163 1.00 0.00 C ATOM 863 OE1 GLN A 57 -9.979 -1.897 0.964 1.00 0.00 O ATOM 864 NE2 GLN A 57 -11.747 -1.028 -0.114 1.00 0.00 N ATOM 0 H GLN A 57 -7.325 -0.307 -2.469 1.00 0.00 H new ATOM 0 HA GLN A 57 -7.539 1.905 -0.540 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -7.720 -1.098 -0.102 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -8.158 0.160 1.037 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -9.979 0.899 -0.472 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -9.537 -0.346 -1.623 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -12.094 -0.342 -0.784 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -12.396 -1.668 0.343 1.00 0.00 H new ATOM 873 N VAL A 58 -5.568 1.060 1.028 1.00 0.00 N ATOM 874 CA VAL A 58 -4.247 0.953 1.636 1.00 0.00 C ATOM 875 C VAL A 58 -3.633 -0.418 1.377 1.00 0.00 C ATOM 876 O VAL A 58 -2.423 -0.602 1.506 1.00 0.00 O ATOM 877 CB VAL A 58 -4.307 1.198 3.155 1.00 0.00 C ATOM 878 CG1 VAL A 58 -2.975 0.852 3.805 1.00 0.00 C ATOM 879 CG2 VAL A 58 -4.693 2.640 3.447 1.00 0.00 C ATOM 0 H VAL A 58 -6.294 1.407 1.655 1.00 0.00 H new ATOM 0 HA VAL A 58 -3.624 1.720 1.176 1.00 0.00 H new ATOM 0 HB VAL A 58 -5.072 0.548 3.580 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -3.036 1.031 4.878 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -2.744 -0.198 3.625 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -2.189 1.474 3.377 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -4.731 2.795 4.525 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -3.953 3.310 3.009 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -5.672 2.849 3.016 1.00 0.00 H new ATOM 889 N SER A 59 -4.476 -1.378 1.010 1.00 0.00 N ATOM 890 CA SER A 59 -4.016 -2.734 0.735 1.00 0.00 C ATOM 891 C SER A 59 -2.945 -2.736 -0.351 1.00 0.00 C ATOM 892 O SER A 59 -2.093 -3.623 -0.398 1.00 0.00 O ATOM 893 CB SER A 59 -5.191 -3.617 0.310 1.00 0.00 C ATOM 894 OG SER A 59 -5.684 -3.232 -0.961 1.00 0.00 O ATOM 0 H SER A 59 -5.480 -1.242 0.896 1.00 0.00 H new ATOM 0 HA SER A 59 -3.581 -3.136 1.650 1.00 0.00 H new ATOM 0 HB2 SER A 59 -4.874 -4.660 0.280 1.00 0.00 H new ATOM 0 HB3 SER A 59 -5.989 -3.547 1.049 1.00 0.00 H new ATOM 0 HG SER A 59 -6.433 -3.812 -1.211 1.00 0.00 H new ATOM 900 N VAL A 60 -2.994 -1.734 -1.224 1.00 0.00 N ATOM 901 CA VAL A 60 -2.029 -1.618 -2.310 1.00 0.00 C ATOM 902 C VAL A 60 -0.710 -1.035 -1.813 1.00 0.00 C ATOM 903 O VAL A 60 0.327 -1.179 -2.460 1.00 0.00 O ATOM 904 CB VAL A 60 -2.570 -0.735 -3.450 1.00 0.00 C ATOM 905 CG1 VAL A 60 -3.685 -1.451 -4.196 1.00 0.00 C ATOM 906 CG2 VAL A 60 -3.053 0.601 -2.906 1.00 0.00 C ATOM 0 H VAL A 60 -3.692 -0.991 -1.200 1.00 0.00 H new ATOM 0 HA VAL A 60 -1.858 -2.625 -2.690 1.00 0.00 H new ATOM 0 HB VAL A 60 -1.760 -0.543 -4.153 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -4.055 -0.812 -4.998 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -3.302 -2.379 -4.619 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -4.499 -1.675 -3.506 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -3.432 1.212 -3.725 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -3.849 0.432 -2.181 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -2.224 1.117 -2.421 1.00 0.00 H new ATOM 916 N ILE A 61 -0.759 -0.376 -0.660 1.00 0.00 N ATOM 917 CA ILE A 61 0.432 0.227 -0.075 1.00 0.00 C ATOM 918 C ILE A 61 1.314 -0.826 0.587 1.00 0.00 C ATOM 919 O ILE A 61 2.523 -0.639 0.730 1.00 0.00 O ATOM 920 CB ILE A 61 0.066 1.301 0.967 1.00 0.00 C ATOM 921 CG1 ILE A 61 -0.781 2.400 0.322 1.00 0.00 C ATOM 922 CG2 ILE A 61 1.325 1.890 1.586 1.00 0.00 C ATOM 923 CD1 ILE A 61 -1.395 3.355 1.321 1.00 0.00 C ATOM 0 H ILE A 61 -1.610 -0.246 -0.113 1.00 0.00 H new ATOM 0 HA ILE A 61 0.981 0.696 -0.892 1.00 0.00 H new ATOM 0 HB ILE A 61 -0.520 0.834 1.758 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -0.160 2.965 -0.374 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -1.576 1.938 -0.263 1.00 0.00 H new ATOM 0 HG21 ILE A 61 1.050 2.647 2.320 1.00 0.00 H new ATOM 0 HG22 ILE A 61 1.894 1.100 2.076 1.00 0.00 H new ATOM 0 HG23 ILE A 61 1.935 2.346 0.806 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -1.981 4.107 0.793 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -2.042 2.803 2.002 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -0.604 3.845 1.889 1.00 0.00 H new ATOM 935 N LYS A 62 0.702 -1.936 0.987 1.00 0.00 N ATOM 936 CA LYS A 62 1.431 -3.022 1.631 1.00 0.00 C ATOM 937 C LYS A 62 2.203 -3.843 0.603 1.00 0.00 C ATOM 938 O LYS A 62 3.386 -4.133 0.788 1.00 0.00 O ATOM 939 CB LYS A 62 0.464 -3.926 2.399 1.00 0.00 C ATOM 940 CG LYS A 62 -0.399 -3.181 3.402 1.00 0.00 C ATOM 941 CD LYS A 62 -0.835 -4.084 4.543 1.00 0.00 C ATOM 942 CE LYS A 62 -1.394 -3.281 5.708 1.00 0.00 C ATOM 943 NZ LYS A 62 -2.092 -4.150 6.696 1.00 0.00 N ATOM 0 H LYS A 62 -0.297 -2.107 0.876 1.00 0.00 H new ATOM 0 HA LYS A 62 2.144 -2.585 2.330 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -0.182 -4.440 1.687 1.00 0.00 H new ATOM 0 HB3 LYS A 62 1.035 -4.693 2.923 1.00 0.00 H new ATOM 0 HG2 LYS A 62 0.156 -2.332 3.801 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -1.278 -2.779 2.899 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -1.591 -4.784 4.186 1.00 0.00 H new ATOM 0 HD3 LYS A 62 0.014 -4.678 4.883 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -0.583 -2.747 6.203 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -2.088 -2.529 5.331 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -1.925 -3.787 7.656 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -3.113 -4.149 6.498 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -1.726 -5.121 6.624 1.00 0.00 H new ATOM 957 N VAL A 63 1.528 -4.214 -0.480 1.00 0.00 N ATOM 958 CA VAL A 63 2.153 -4.999 -1.538 1.00 0.00 C ATOM 959 C VAL A 63 3.443 -4.345 -2.020 1.00 0.00 C ATOM 960 O VAL A 63 4.398 -5.028 -2.390 1.00 0.00 O ATOM 961 CB VAL A 63 1.203 -5.179 -2.738 1.00 0.00 C ATOM 962 CG1 VAL A 63 1.230 -3.948 -3.630 1.00 0.00 C ATOM 963 CG2 VAL A 63 1.572 -6.427 -3.526 1.00 0.00 C ATOM 0 H VAL A 63 0.549 -3.984 -0.648 1.00 0.00 H new ATOM 0 HA VAL A 63 2.382 -5.977 -1.114 1.00 0.00 H new ATOM 0 HB VAL A 63 0.188 -5.302 -2.361 1.00 0.00 H new ATOM 0 HG11 VAL A 63 0.553 -4.094 -4.472 1.00 0.00 H new ATOM 0 HG12 VAL A 63 0.914 -3.076 -3.057 1.00 0.00 H new ATOM 0 HG13 VAL A 63 2.242 -3.790 -4.002 1.00 0.00 H new ATOM 0 HG21 VAL A 63 0.891 -6.539 -4.370 1.00 0.00 H new ATOM 0 HG22 VAL A 63 2.594 -6.336 -3.894 1.00 0.00 H new ATOM 0 HG23 VAL A 63 1.496 -7.301 -2.880 1.00 0.00 H new ATOM 973 N LYS A 64 3.465 -3.016 -2.011 1.00 0.00 N ATOM 974 CA LYS A 64 4.639 -2.268 -2.445 1.00 0.00 C ATOM 975 C LYS A 64 5.806 -2.481 -1.486 1.00 0.00 C ATOM 976 O LYS A 64 6.939 -2.702 -1.912 1.00 0.00 O ATOM 977 CB LYS A 64 4.311 -0.776 -2.542 1.00 0.00 C ATOM 978 CG LYS A 64 3.243 -0.454 -3.573 1.00 0.00 C ATOM 979 CD LYS A 64 3.797 -0.512 -4.986 1.00 0.00 C ATOM 980 CE LYS A 64 4.791 0.611 -5.242 1.00 0.00 C ATOM 981 NZ LYS A 64 5.064 0.790 -6.695 1.00 0.00 N ATOM 0 H LYS A 64 2.683 -2.435 -1.708 1.00 0.00 H new ATOM 0 HA LYS A 64 4.929 -2.635 -3.429 1.00 0.00 H new ATOM 0 HB2 LYS A 64 3.981 -0.421 -1.566 1.00 0.00 H new ATOM 0 HB3 LYS A 64 5.220 -0.228 -2.790 1.00 0.00 H new ATOM 0 HG2 LYS A 64 2.418 -1.159 -3.476 1.00 0.00 H new ATOM 0 HG3 LYS A 64 2.838 0.539 -3.381 1.00 0.00 H new ATOM 0 HD2 LYS A 64 4.284 -1.474 -5.148 1.00 0.00 H new ATOM 0 HD3 LYS A 64 2.978 -0.445 -5.702 1.00 0.00 H new ATOM 0 HE2 LYS A 64 4.402 1.541 -4.828 1.00 0.00 H new ATOM 0 HE3 LYS A 64 5.724 0.396 -4.721 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 5.693 1.607 -6.832 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 5.521 -0.065 -7.070 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 4.169 0.953 -7.199 1.00 0.00 H new ATOM 995 N ILE A 65 5.520 -2.415 -0.190 1.00 0.00 N ATOM 996 CA ILE A 65 6.545 -2.603 0.829 1.00 0.00 C ATOM 997 C ILE A 65 7.284 -3.922 0.628 1.00 0.00 C ATOM 998 O ILE A 65 8.480 -3.938 0.339 1.00 0.00 O ATOM 999 CB ILE A 65 5.943 -2.576 2.246 1.00 0.00 C ATOM 1000 CG1 ILE A 65 5.298 -1.216 2.524 1.00 0.00 C ATOM 1001 CG2 ILE A 65 7.013 -2.883 3.282 1.00 0.00 C ATOM 1002 CD1 ILE A 65 4.197 -1.270 3.559 1.00 0.00 C ATOM 0 H ILE A 65 4.587 -2.233 0.179 1.00 0.00 H new ATOM 0 HA ILE A 65 7.247 -1.776 0.726 1.00 0.00 H new ATOM 0 HB ILE A 65 5.171 -3.343 2.312 1.00 0.00 H new ATOM 0 HG12 ILE A 65 6.067 -0.520 2.859 1.00 0.00 H new ATOM 0 HG13 ILE A 65 4.892 -0.819 1.594 1.00 0.00 H new ATOM 0 HG21 ILE A 65 6.572 -2.860 4.278 1.00 0.00 H new ATOM 0 HG22 ILE A 65 7.430 -3.872 3.092 1.00 0.00 H new ATOM 0 HG23 ILE A 65 7.805 -2.137 3.219 1.00 0.00 H new ATOM 0 HD11 ILE A 65 3.786 -0.271 3.705 1.00 0.00 H new ATOM 0 HD12 ILE A 65 3.409 -1.941 3.217 1.00 0.00 H new ATOM 0 HD13 ILE A 65 4.602 -1.637 4.502 1.00 0.00 H new ATOM 1014 N HIS A 66 6.562 -5.028 0.781 1.00 0.00 N ATOM 1015 CA HIS A 66 7.148 -6.353 0.614 1.00 0.00 C ATOM 1016 C HIS A 66 7.974 -6.424 -0.667 1.00 0.00 C ATOM 1017 O HIS A 66 8.957 -7.160 -0.741 1.00 0.00 O ATOM 1018 CB HIS A 66 6.052 -7.419 0.587 1.00 0.00 C ATOM 1019 CG HIS A 66 6.574 -8.818 0.700 1.00 0.00 C ATOM 1020 ND1 HIS A 66 6.752 -9.645 -0.389 1.00 0.00 N ATOM 1021 CD2 HIS A 66 6.960 -9.534 1.782 1.00 0.00 C ATOM 1022 CE1 HIS A 66 7.222 -10.810 0.019 1.00 0.00 C ATOM 1023 NE2 HIS A 66 7.358 -10.769 1.332 1.00 0.00 N ATOM 0 H HIS A 66 5.570 -5.033 1.020 1.00 0.00 H new ATOM 0 HA HIS A 66 7.807 -6.541 1.462 1.00 0.00 H new ATOM 0 HB2 HIS A 66 5.355 -7.233 1.404 1.00 0.00 H new ATOM 0 HB3 HIS A 66 5.487 -7.324 -0.341 1.00 0.00 H new ATOM 0 HD2 HIS A 66 6.956 -9.197 2.808 1.00 0.00 H new ATOM 0 HE1 HIS A 66 7.456 -11.653 -0.614 1.00 0.00 H new ATOM 0 HE2 HIS A 66 7.703 -11.531 1.917 1.00 0.00 H new ATOM 1032 N GLU A 67 7.567 -5.654 -1.671 1.00 0.00 N ATOM 1033 CA GLU A 67 8.270 -5.632 -2.949 1.00 0.00 C ATOM 1034 C GLU A 67 9.714 -5.175 -2.767 1.00 0.00 C ATOM 1035 O GLU A 67 10.652 -5.896 -3.105 1.00 0.00 O ATOM 1036 CB GLU A 67 7.551 -4.709 -3.936 1.00 0.00 C ATOM 1037 CG GLU A 67 7.640 -5.175 -5.379 1.00 0.00 C ATOM 1038 CD GLU A 67 9.071 -5.330 -5.855 1.00 0.00 C ATOM 1039 OE1 GLU A 67 9.798 -4.315 -5.890 1.00 0.00 O ATOM 1040 OE2 GLU A 67 9.465 -6.466 -6.193 1.00 0.00 O ATOM 0 H GLU A 67 6.755 -5.038 -1.625 1.00 0.00 H new ATOM 0 HA GLU A 67 8.276 -6.646 -3.349 1.00 0.00 H new ATOM 0 HB2 GLU A 67 6.502 -4.633 -3.651 1.00 0.00 H new ATOM 0 HB3 GLU A 67 7.975 -3.708 -3.859 1.00 0.00 H new ATOM 0 HG2 GLU A 67 7.122 -6.128 -5.482 1.00 0.00 H new ATOM 0 HG3 GLU A 67 7.123 -4.461 -6.020 1.00 0.00 H new ATOM 1047 N ALA A 68 9.885 -3.970 -2.233 1.00 0.00 N ATOM 1048 CA ALA A 68 11.213 -3.416 -2.005 1.00 0.00 C ATOM 1049 C ALA A 68 11.861 -4.033 -0.769 1.00 0.00 C ATOM 1050 O ALA A 68 12.988 -4.525 -0.826 1.00 0.00 O ATOM 1051 CB ALA A 68 11.137 -1.903 -1.863 1.00 0.00 C ATOM 0 H ALA A 68 9.119 -3.359 -1.950 1.00 0.00 H new ATOM 0 HA ALA A 68 11.833 -3.658 -2.868 1.00 0.00 H new ATOM 0 HB1 ALA A 68 12.137 -1.503 -1.693 1.00 0.00 H new ATOM 0 HB2 ALA A 68 10.724 -1.472 -2.775 1.00 0.00 H new ATOM 0 HB3 ALA A 68 10.496 -1.649 -1.019 1.00 0.00 H new ATOM 1057 N THR A 69 11.141 -4.002 0.348 1.00 0.00 N ATOM 1058 CA THR A 69 11.646 -4.557 1.598 1.00 0.00 C ATOM 1059 C THR A 69 11.081 -5.950 1.849 1.00 0.00 C ATOM 1060 O THR A 69 10.018 -6.301 1.338 1.00 0.00 O ATOM 1061 CB THR A 69 11.300 -3.651 2.794 1.00 0.00 C ATOM 1062 OG1 THR A 69 9.880 -3.590 2.969 1.00 0.00 O ATOM 1063 CG2 THR A 69 11.850 -2.248 2.588 1.00 0.00 C ATOM 0 H THR A 69 10.206 -3.599 0.413 1.00 0.00 H new ATOM 0 HA THR A 69 12.730 -4.620 1.501 1.00 0.00 H new ATOM 0 HB THR A 69 11.758 -4.077 3.687 1.00 0.00 H new ATOM 0 HG1 THR A 69 9.436 -3.830 2.129 1.00 0.00 H new ATOM 0 HG21 THR A 69 11.593 -1.627 3.446 1.00 0.00 H new ATOM 0 HG22 THR A 69 12.934 -2.294 2.485 1.00 0.00 H new ATOM 0 HG23 THR A 69 11.418 -1.817 1.685 1.00 0.00 H new ATOM 1071 N GLY A 70 11.799 -6.740 2.642 1.00 0.00 N ATOM 1072 CA GLY A 70 11.352 -8.087 2.948 1.00 0.00 C ATOM 1073 C GLY A 70 10.356 -8.122 4.091 1.00 0.00 C ATOM 1074 O GLY A 70 10.344 -9.063 4.883 1.00 0.00 O ATOM 0 H GLY A 70 12.681 -6.472 3.078 1.00 0.00 H new ATOM 0 HA2 GLY A 70 10.897 -8.526 2.060 1.00 0.00 H new ATOM 0 HA3 GLY A 70 12.214 -8.704 3.202 1.00 0.00 H new ATOM 1078 N MET A 71 9.521 -7.091 4.178 1.00 0.00 N ATOM 1079 CA MET A 71 8.518 -7.008 5.233 1.00 0.00 C ATOM 1080 C MET A 71 7.160 -7.488 4.731 1.00 0.00 C ATOM 1081 O MET A 71 6.669 -7.055 3.688 1.00 0.00 O ATOM 1082 CB MET A 71 8.407 -5.572 5.748 1.00 0.00 C ATOM 1083 CG MET A 71 7.990 -5.480 7.207 1.00 0.00 C ATOM 1084 SD MET A 71 7.963 -3.783 7.816 1.00 0.00 S ATOM 1085 CE MET A 71 7.713 -4.057 9.568 1.00 0.00 C ATOM 0 H MET A 71 9.519 -6.302 3.531 1.00 0.00 H new ATOM 0 HA MET A 71 8.832 -7.656 6.051 1.00 0.00 H new ATOM 0 HB2 MET A 71 9.368 -5.074 5.621 1.00 0.00 H new ATOM 0 HB3 MET A 71 7.685 -5.031 5.137 1.00 0.00 H new ATOM 0 HG2 MET A 71 7.000 -5.921 7.326 1.00 0.00 H new ATOM 0 HG3 MET A 71 8.677 -6.069 7.815 1.00 0.00 H new ATOM 0 HE1 MET A 71 7.004 -3.325 9.953 1.00 0.00 H new ATOM 0 HE2 MET A 71 7.320 -5.061 9.727 1.00 0.00 H new ATOM 0 HE3 MET A 71 8.663 -3.952 10.092 1.00 0.00 H new ATOM 1095 N PRO A 72 6.538 -8.403 5.489 1.00 0.00 N ATOM 1096 CA PRO A 72 5.227 -8.961 5.140 1.00 0.00 C ATOM 1097 C PRO A 72 4.106 -7.938 5.281 1.00 0.00 C ATOM 1098 O PRO A 72 4.252 -6.934 5.979 1.00 0.00 O ATOM 1099 CB PRO A 72 5.046 -10.097 6.150 1.00 0.00 C ATOM 1100 CG PRO A 72 5.888 -9.707 7.315 1.00 0.00 C ATOM 1101 CD PRO A 72 7.064 -8.963 6.744 1.00 0.00 C ATOM 0 HA PRO A 72 5.185 -9.286 4.100 1.00 0.00 H new ATOM 0 HB2 PRO A 72 4.000 -10.208 6.437 1.00 0.00 H new ATOM 0 HB3 PRO A 72 5.365 -11.052 5.733 1.00 0.00 H new ATOM 0 HG2 PRO A 72 5.328 -9.079 8.009 1.00 0.00 H new ATOM 0 HG3 PRO A 72 6.215 -10.585 7.872 1.00 0.00 H new ATOM 0 HD2 PRO A 72 7.410 -8.180 7.419 1.00 0.00 H new ATOM 0 HD3 PRO A 72 7.910 -9.626 6.564 1.00 0.00 H new ATOM 1109 N ALA A 73 2.985 -8.199 4.616 1.00 0.00 N ATOM 1110 CA ALA A 73 1.838 -7.302 4.670 1.00 0.00 C ATOM 1111 C ALA A 73 0.886 -7.696 5.794 1.00 0.00 C ATOM 1112 O ALA A 73 -0.331 -7.717 5.611 1.00 0.00 O ATOM 1113 CB ALA A 73 1.108 -7.297 3.334 1.00 0.00 C ATOM 0 H ALA A 73 2.847 -9.025 4.033 1.00 0.00 H new ATOM 0 HA ALA A 73 2.204 -6.296 4.875 1.00 0.00 H new ATOM 0 HB1 ALA A 73 0.253 -6.623 3.389 1.00 0.00 H new ATOM 0 HB2 ALA A 73 1.786 -6.960 2.550 1.00 0.00 H new ATOM 0 HB3 ALA A 73 0.761 -8.305 3.105 1.00 0.00 H new ATOM 1119 N GLY A 74 1.448 -8.008 6.958 1.00 0.00 N ATOM 1120 CA GLY A 74 0.633 -8.398 8.094 1.00 0.00 C ATOM 1121 C GLY A 74 1.107 -7.769 9.389 1.00 0.00 C ATOM 1122 O GLY A 74 0.358 -7.047 10.048 1.00 0.00 O ATOM 0 H GLY A 74 2.453 -7.998 7.135 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -0.402 -8.110 7.911 1.00 0.00 H new ATOM 0 HA3 GLY A 74 0.649 -9.483 8.193 1.00 0.00 H new ATOM 1126 N LYS A 75 2.353 -8.044 9.758 1.00 0.00 N ATOM 1127 CA LYS A 75 2.927 -7.501 10.983 1.00 0.00 C ATOM 1128 C LYS A 75 3.011 -5.980 10.917 1.00 0.00 C ATOM 1129 O LYS A 75 2.436 -5.281 11.751 1.00 0.00 O ATOM 1130 CB LYS A 75 4.319 -8.090 11.224 1.00 0.00 C ATOM 1131 CG LYS A 75 4.295 -9.472 11.853 1.00 0.00 C ATOM 1132 CD LYS A 75 5.521 -9.713 12.717 1.00 0.00 C ATOM 1133 CE LYS A 75 5.334 -9.151 14.118 1.00 0.00 C ATOM 1134 NZ LYS A 75 6.547 -9.345 14.960 1.00 0.00 N ATOM 0 H LYS A 75 2.986 -8.641 9.225 1.00 0.00 H new ATOM 0 HA LYS A 75 2.275 -7.775 11.812 1.00 0.00 H new ATOM 0 HB2 LYS A 75 4.852 -8.142 10.274 1.00 0.00 H new ATOM 0 HB3 LYS A 75 4.883 -7.416 11.869 1.00 0.00 H new ATOM 0 HG2 LYS A 75 3.395 -9.582 12.458 1.00 0.00 H new ATOM 0 HG3 LYS A 75 4.246 -10.228 11.070 1.00 0.00 H new ATOM 0 HD2 LYS A 75 5.721 -10.783 12.777 1.00 0.00 H new ATOM 0 HD3 LYS A 75 6.392 -9.251 12.252 1.00 0.00 H new ATOM 0 HE2 LYS A 75 5.102 -8.088 14.055 1.00 0.00 H new ATOM 0 HE3 LYS A 75 4.481 -9.636 14.593 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 6.346 -9.042 15.934 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 6.813 -10.350 14.958 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 7.330 -8.779 14.576 1.00 0.00 H new ATOM 1148 N GLN A 76 3.729 -5.474 9.920 1.00 0.00 N ATOM 1149 CA GLN A 76 3.887 -4.035 9.745 1.00 0.00 C ATOM 1150 C GLN A 76 2.532 -3.336 9.739 1.00 0.00 C ATOM 1151 O GLN A 76 1.584 -3.800 9.105 1.00 0.00 O ATOM 1152 CB GLN A 76 4.634 -3.736 8.444 1.00 0.00 C ATOM 1153 CG GLN A 76 3.785 -3.927 7.198 1.00 0.00 C ATOM 1154 CD GLN A 76 4.496 -3.486 5.934 1.00 0.00 C ATOM 1155 OE1 GLN A 76 5.160 -2.449 5.911 1.00 0.00 O ATOM 1156 NE2 GLN A 76 4.362 -4.273 4.873 1.00 0.00 N ATOM 0 H GLN A 76 4.211 -6.039 9.221 1.00 0.00 H new ATOM 0 HA GLN A 76 4.469 -3.654 10.585 1.00 0.00 H new ATOM 0 HB2 GLN A 76 4.998 -2.709 8.472 1.00 0.00 H new ATOM 0 HB3 GLN A 76 5.509 -4.383 8.380 1.00 0.00 H new ATOM 0 HG2 GLN A 76 3.510 -4.978 7.108 1.00 0.00 H new ATOM 0 HG3 GLN A 76 2.858 -3.363 7.305 1.00 0.00 H new ATOM 0 HE21 GLN A 76 3.802 -5.123 4.936 1.00 0.00 H new ATOM 0 HE22 GLN A 76 4.819 -4.027 3.995 1.00 0.00 H new ATOM 1165 N LYS A 77 2.446 -2.216 10.450 1.00 0.00 N ATOM 1166 CA LYS A 77 1.207 -1.451 10.527 1.00 0.00 C ATOM 1167 C LYS A 77 1.336 -0.130 9.776 1.00 0.00 C ATOM 1168 O LYS A 77 2.217 0.680 10.070 1.00 0.00 O ATOM 1169 CB LYS A 77 0.837 -1.185 11.988 1.00 0.00 C ATOM 1170 CG LYS A 77 -0.657 -1.232 12.255 1.00 0.00 C ATOM 1171 CD LYS A 77 -0.956 -1.710 13.666 1.00 0.00 C ATOM 1172 CE LYS A 77 -0.892 -0.567 14.668 1.00 0.00 C ATOM 1173 NZ LYS A 77 0.503 -0.302 15.118 1.00 0.00 N ATOM 0 H LYS A 77 3.220 -1.818 10.981 1.00 0.00 H new ATOM 0 HA LYS A 77 0.417 -2.039 10.060 1.00 0.00 H new ATOM 0 HB2 LYS A 77 1.334 -1.921 12.620 1.00 0.00 H new ATOM 0 HB3 LYS A 77 1.219 -0.206 12.278 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -1.085 -0.241 12.107 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -1.135 -1.897 11.536 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -1.946 -2.165 13.695 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -0.241 -2.483 13.948 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -1.306 0.335 14.217 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -1.513 -0.806 15.531 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 0.484 0.236 16.008 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 0.996 -1.205 15.270 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 1.004 0.248 14.391 1.00 0.00 H new ATOM 1187 N LEU A 78 0.454 0.083 8.806 1.00 0.00 N ATOM 1188 CA LEU A 78 0.468 1.307 8.013 1.00 0.00 C ATOM 1189 C LEU A 78 -0.313 2.417 8.711 1.00 0.00 C ATOM 1190 O LEU A 78 -1.530 2.328 8.867 1.00 0.00 O ATOM 1191 CB LEU A 78 -0.122 1.047 6.626 1.00 0.00 C ATOM 1192 CG LEU A 78 0.596 -0.002 5.777 1.00 0.00 C ATOM 1193 CD1 LEU A 78 0.044 -0.011 4.360 1.00 0.00 C ATOM 1194 CD2 LEU A 78 2.096 0.256 5.766 1.00 0.00 C ATOM 0 H LEU A 78 -0.280 -0.577 8.550 1.00 0.00 H new ATOM 0 HA LEU A 78 1.504 1.629 7.905 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -1.160 0.739 6.747 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -0.131 1.987 6.075 1.00 0.00 H new ATOM 0 HG LEU A 78 0.420 -0.982 6.220 1.00 0.00 H new ATOM 0 HD11 LEU A 78 0.567 -0.764 3.770 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -1.020 -0.245 4.386 1.00 0.00 H new ATOM 0 HD13 LEU A 78 0.189 0.970 3.907 1.00 0.00 H new ATOM 0 HD21 LEU A 78 2.591 -0.500 5.157 1.00 0.00 H new ATOM 0 HD22 LEU A 78 2.292 1.244 5.348 1.00 0.00 H new ATOM 0 HD23 LEU A 78 2.481 0.210 6.785 1.00 0.00 H new ATOM 1206 N GLN A 79 0.397 3.461 9.126 1.00 0.00 N ATOM 1207 CA GLN A 79 -0.231 4.589 9.805 1.00 0.00 C ATOM 1208 C GLN A 79 0.099 5.901 9.101 1.00 0.00 C ATOM 1209 O GLN A 79 1.265 6.277 8.983 1.00 0.00 O ATOM 1210 CB GLN A 79 0.225 4.650 11.264 1.00 0.00 C ATOM 1211 CG GLN A 79 -0.835 5.188 12.211 1.00 0.00 C ATOM 1212 CD GLN A 79 -0.713 4.616 13.610 1.00 0.00 C ATOM 1213 OE1 GLN A 79 -1.639 3.736 13.973 1.00 0.00 O flip ATOM 1214 NE2 GLN A 79 0.204 4.960 14.356 1.00 0.00 N flip ATOM 0 H GLN A 79 1.406 3.550 9.004 1.00 0.00 H new ATOM 0 HA GLN A 79 -1.311 4.444 9.775 1.00 0.00 H new ATOM 0 HB2 GLN A 79 0.515 3.650 11.587 1.00 0.00 H new ATOM 0 HB3 GLN A 79 1.114 5.278 11.332 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -0.757 6.274 12.259 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -1.823 4.957 11.813 1.00 0.00 H new ATOM 0 HE21 GLN A 79 0.894 5.639 14.036 1.00 0.00 H new ATOM 0 HE22 GLN A 79 0.274 4.566 15.294 1.00 0.00 H new ATOM 1223 N TYR A 80 -0.935 6.592 8.635 1.00 0.00 N ATOM 1224 CA TYR A 80 -0.755 7.861 7.940 1.00 0.00 C ATOM 1225 C TYR A 80 -0.892 9.035 8.904 1.00 0.00 C ATOM 1226 O TYR A 80 -1.990 9.352 9.361 1.00 0.00 O ATOM 1227 CB TYR A 80 -1.774 7.995 6.807 1.00 0.00 C ATOM 1228 CG TYR A 80 -2.185 9.423 6.528 1.00 0.00 C ATOM 1229 CD1 TYR A 80 -1.232 10.421 6.363 1.00 0.00 C ATOM 1230 CD2 TYR A 80 -3.525 9.775 6.431 1.00 0.00 C ATOM 1231 CE1 TYR A 80 -1.602 11.728 6.109 1.00 0.00 C ATOM 1232 CE2 TYR A 80 -3.905 11.079 6.175 1.00 0.00 C ATOM 1233 CZ TYR A 80 -2.940 12.051 6.015 1.00 0.00 C ATOM 1234 OH TYR A 80 -3.314 13.351 5.762 1.00 0.00 O ATOM 0 H TYR A 80 -1.907 6.295 8.726 1.00 0.00 H new ATOM 0 HA TYR A 80 0.250 7.876 7.519 1.00 0.00 H new ATOM 0 HB2 TYR A 80 -1.354 7.563 5.899 1.00 0.00 H new ATOM 0 HB3 TYR A 80 -2.661 7.413 7.057 1.00 0.00 H new ATOM 0 HD1 TYR A 80 -0.184 10.171 6.435 1.00 0.00 H new ATOM 0 HD2 TYR A 80 -4.283 9.017 6.558 1.00 0.00 H new ATOM 0 HE1 TYR A 80 -0.849 12.492 5.985 1.00 0.00 H new ATOM 0 HE2 TYR A 80 -4.952 11.335 6.101 1.00 0.00 H new ATOM 0 HH TYR A 80 -4.292 13.409 5.726 1.00 0.00 H new ATOM 1244 N GLU A 81 0.232 9.677 9.209 1.00 0.00 N ATOM 1245 CA GLU A 81 0.237 10.816 10.119 1.00 0.00 C ATOM 1246 C GLU A 81 -0.495 10.480 11.415 1.00 0.00 C ATOM 1247 O GLU A 81 -1.263 11.289 11.935 1.00 0.00 O ATOM 1248 CB GLU A 81 -0.412 12.032 9.454 1.00 0.00 C ATOM 1249 CG GLU A 81 0.538 12.822 8.570 1.00 0.00 C ATOM 1250 CD GLU A 81 1.512 13.666 9.369 1.00 0.00 C ATOM 1251 OE1 GLU A 81 1.108 14.203 10.421 1.00 0.00 O ATOM 1252 OE2 GLU A 81 2.679 13.790 8.940 1.00 0.00 O ATOM 0 H GLU A 81 1.149 9.428 8.839 1.00 0.00 H new ATOM 0 HA GLU A 81 1.274 11.052 10.358 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -1.260 11.699 8.855 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -0.807 12.690 10.227 1.00 0.00 H new ATOM 0 HG2 GLU A 81 1.096 12.133 7.935 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -0.039 13.468 7.909 1.00 0.00 H new ATOM 1259 N GLY A 82 -0.251 9.280 11.932 1.00 0.00 N ATOM 1260 CA GLY A 82 -0.894 8.857 13.163 1.00 0.00 C ATOM 1261 C GLY A 82 -2.225 8.175 12.916 1.00 0.00 C ATOM 1262 O GLY A 82 -2.714 7.428 13.764 1.00 0.00 O ATOM 0 H GLY A 82 0.381 8.593 11.521 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -0.234 8.175 13.699 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -1.047 9.724 13.806 1.00 0.00 H new ATOM 1266 N ILE A 83 -2.814 8.433 11.753 1.00 0.00 N ATOM 1267 CA ILE A 83 -4.097 7.839 11.398 1.00 0.00 C ATOM 1268 C ILE A 83 -3.954 6.345 11.126 1.00 0.00 C ATOM 1269 O ILE A 83 -3.374 5.939 10.119 1.00 0.00 O ATOM 1270 CB ILE A 83 -4.709 8.519 10.159 1.00 0.00 C ATOM 1271 CG1 ILE A 83 -5.019 9.987 10.457 1.00 0.00 C ATOM 1272 CG2 ILE A 83 -5.967 7.785 9.720 1.00 0.00 C ATOM 1273 CD1 ILE A 83 -5.513 10.757 9.252 1.00 0.00 C ATOM 0 H ILE A 83 -2.423 9.049 11.041 1.00 0.00 H new ATOM 0 HA ILE A 83 -4.761 7.989 12.249 1.00 0.00 H new ATOM 0 HB ILE A 83 -3.985 8.478 9.345 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -5.771 10.039 11.244 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -4.120 10.469 10.843 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -6.388 8.277 8.843 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -5.718 6.753 9.472 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -6.697 7.798 10.529 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -5.713 11.790 9.537 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -4.753 10.737 8.471 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -6.429 10.300 8.879 1.00 0.00 H new ATOM 1285 N PHE A 84 -4.489 5.531 12.030 1.00 0.00 N ATOM 1286 CA PHE A 84 -4.423 4.082 11.888 1.00 0.00 C ATOM 1287 C PHE A 84 -5.322 3.605 10.750 1.00 0.00 C ATOM 1288 O PHE A 84 -6.459 3.190 10.977 1.00 0.00 O ATOM 1289 CB PHE A 84 -4.831 3.400 13.195 1.00 0.00 C ATOM 1290 CG PHE A 84 -4.892 1.903 13.097 1.00 0.00 C ATOM 1291 CD1 PHE A 84 -3.785 1.176 12.691 1.00 0.00 C ATOM 1292 CD2 PHE A 84 -6.058 1.222 13.410 1.00 0.00 C ATOM 1293 CE1 PHE A 84 -3.838 -0.203 12.600 1.00 0.00 C ATOM 1294 CE2 PHE A 84 -6.117 -0.156 13.321 1.00 0.00 C ATOM 1295 CZ PHE A 84 -5.006 -0.869 12.915 1.00 0.00 C ATOM 0 H PHE A 84 -4.973 5.851 12.869 1.00 0.00 H new ATOM 0 HA PHE A 84 -3.394 3.812 11.652 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -4.123 3.676 13.976 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -5.807 3.776 13.502 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -2.870 1.692 12.443 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -6.930 1.774 13.727 1.00 0.00 H new ATOM 0 HE1 PHE A 84 -2.967 -0.758 12.283 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -7.031 -0.675 13.569 1.00 0.00 H new ATOM 0 HZ PHE A 84 -5.051 -1.946 12.844 1.00 0.00 H new ATOM 1305 N ILE A 85 -4.804 3.668 9.528 1.00 0.00 N ATOM 1306 CA ILE A 85 -5.559 3.243 8.356 1.00 0.00 C ATOM 1307 C ILE A 85 -5.385 1.750 8.103 1.00 0.00 C ATOM 1308 O ILE A 85 -4.298 1.200 8.282 1.00 0.00 O ATOM 1309 CB ILE A 85 -5.129 4.019 7.098 1.00 0.00 C ATOM 1310 CG1 ILE A 85 -3.618 3.896 6.887 1.00 0.00 C ATOM 1311 CG2 ILE A 85 -5.536 5.481 7.212 1.00 0.00 C ATOM 1312 CD1 ILE A 85 -3.137 4.505 5.589 1.00 0.00 C ATOM 0 H ILE A 85 -3.865 4.009 9.324 1.00 0.00 H new ATOM 0 HA ILE A 85 -6.608 3.455 8.562 1.00 0.00 H new ATOM 0 HB ILE A 85 -5.634 3.588 6.233 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -3.103 4.378 7.718 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -3.341 2.842 6.909 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -5.225 6.016 6.315 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -6.619 5.550 7.319 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -5.056 5.925 8.084 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -2.057 4.381 5.507 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -3.624 4.007 4.751 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -3.382 5.567 5.572 1.00 0.00 H new ATOM 1324 N LYS A 86 -6.464 1.097 7.683 1.00 0.00 N ATOM 1325 CA LYS A 86 -6.432 -0.333 7.401 1.00 0.00 C ATOM 1326 C LYS A 86 -6.522 -0.594 5.900 1.00 0.00 C ATOM 1327 O LYS A 86 -6.913 0.284 5.131 1.00 0.00 O ATOM 1328 CB LYS A 86 -7.581 -1.042 8.122 1.00 0.00 C ATOM 1329 CG LYS A 86 -7.225 -1.507 9.523 1.00 0.00 C ATOM 1330 CD LYS A 86 -8.468 -1.779 10.353 1.00 0.00 C ATOM 1331 CE LYS A 86 -9.101 -3.113 9.988 1.00 0.00 C ATOM 1332 NZ LYS A 86 -8.517 -4.237 10.770 1.00 0.00 N ATOM 0 H LYS A 86 -7.372 1.536 7.530 1.00 0.00 H new ATOM 0 HA LYS A 86 -5.484 -0.728 7.765 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -8.435 -0.367 8.178 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -7.894 -1.903 7.531 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -6.620 -2.412 9.464 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -6.616 -0.749 10.015 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -8.208 -1.776 11.411 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -9.191 -0.978 10.200 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -10.175 -3.066 10.167 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -8.963 -3.301 8.923 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -8.975 -5.128 10.492 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -7.496 -4.298 10.580 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -8.671 -4.071 11.785 1.00 0.00 H new ATOM 1346 N ASP A 87 -6.158 -1.804 5.492 1.00 0.00 N ATOM 1347 CA ASP A 87 -6.200 -2.181 4.084 1.00 0.00 C ATOM 1348 C ASP A 87 -7.630 -2.144 3.554 1.00 0.00 C ATOM 1349 O ASP A 87 -7.864 -1.793 2.397 1.00 0.00 O ATOM 1350 CB ASP A 87 -5.607 -3.578 3.890 1.00 0.00 C ATOM 1351 CG ASP A 87 -5.935 -4.511 5.040 1.00 0.00 C ATOM 1352 OD1 ASP A 87 -5.456 -4.257 6.164 1.00 0.00 O ATOM 1353 OD2 ASP A 87 -6.670 -5.495 4.814 1.00 0.00 O ATOM 0 H ASP A 87 -5.830 -2.541 6.116 1.00 0.00 H new ATOM 0 HA ASP A 87 -5.605 -1.461 3.523 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -5.985 -4.004 2.961 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -4.525 -3.499 3.787 1.00 0.00 H new ATOM 1358 N SER A 88 -8.582 -2.508 4.407 1.00 0.00 N ATOM 1359 CA SER A 88 -9.988 -2.521 4.023 1.00 0.00 C ATOM 1360 C SER A 88 -10.507 -1.102 3.811 1.00 0.00 C ATOM 1361 O SER A 88 -11.492 -0.888 3.107 1.00 0.00 O ATOM 1362 CB SER A 88 -10.824 -3.228 5.091 1.00 0.00 C ATOM 1363 OG SER A 88 -12.154 -3.432 4.646 1.00 0.00 O ATOM 0 H SER A 88 -8.405 -2.798 5.369 1.00 0.00 H new ATOM 0 HA SER A 88 -10.077 -3.066 3.083 1.00 0.00 H new ATOM 0 HB2 SER A 88 -10.369 -4.187 5.338 1.00 0.00 H new ATOM 0 HB3 SER A 88 -10.830 -2.634 6.005 1.00 0.00 H new ATOM 0 HG SER A 88 -12.667 -3.887 5.346 1.00 0.00 H new ATOM 1369 N ASN A 89 -9.834 -0.135 4.428 1.00 0.00 N ATOM 1370 CA ASN A 89 -10.226 1.264 4.309 1.00 0.00 C ATOM 1371 C ASN A 89 -9.618 1.896 3.060 1.00 0.00 C ATOM 1372 O ASN A 89 -8.418 1.775 2.814 1.00 0.00 O ATOM 1373 CB ASN A 89 -9.793 2.045 5.552 1.00 0.00 C ATOM 1374 CG ASN A 89 -10.662 1.743 6.757 1.00 0.00 C ATOM 1375 OD1 ASN A 89 -10.657 0.488 7.190 1.00 0.00 O flip ATOM 1376 ND2 ASN A 89 -11.331 2.628 7.291 1.00 0.00 N flip ATOM 0 H ASN A 89 -9.015 -0.295 5.015 1.00 0.00 H new ATOM 0 HA ASN A 89 -11.312 1.304 4.223 1.00 0.00 H new ATOM 0 HB2 ASN A 89 -8.756 1.804 5.786 1.00 0.00 H new ATOM 0 HB3 ASN A 89 -9.832 3.113 5.338 1.00 0.00 H new ATOM 0 HD21 ASN A 89 -11.304 3.579 6.924 1.00 0.00 H new ATOM 0 HD22 ASN A 89 -11.912 2.410 8.100 1.00 0.00 H new ATOM 1383 N SER A 90 -10.454 2.569 2.277 1.00 0.00 N ATOM 1384 CA SER A 90 -9.999 3.217 1.052 1.00 0.00 C ATOM 1385 C SER A 90 -9.227 4.495 1.367 1.00 0.00 C ATOM 1386 O SER A 90 -9.509 5.177 2.353 1.00 0.00 O ATOM 1387 CB SER A 90 -11.190 3.537 0.147 1.00 0.00 C ATOM 1388 OG SER A 90 -11.989 2.387 -0.071 1.00 0.00 O ATOM 0 H SER A 90 -11.450 2.680 2.468 1.00 0.00 H new ATOM 0 HA SER A 90 -9.332 2.529 0.533 1.00 0.00 H new ATOM 0 HB2 SER A 90 -11.794 4.323 0.600 1.00 0.00 H new ATOM 0 HB3 SER A 90 -10.832 3.921 -0.808 1.00 0.00 H new ATOM 0 HG SER A 90 -12.744 2.619 -0.651 1.00 0.00 H new ATOM 1394 N LEU A 91 -8.252 4.812 0.523 1.00 0.00 N ATOM 1395 CA LEU A 91 -7.438 6.008 0.710 1.00 0.00 C ATOM 1396 C LEU A 91 -8.258 7.270 0.460 1.00 0.00 C ATOM 1397 O LEU A 91 -8.210 8.218 1.243 1.00 0.00 O ATOM 1398 CB LEU A 91 -6.229 5.978 -0.227 1.00 0.00 C ATOM 1399 CG LEU A 91 -5.115 4.999 0.146 1.00 0.00 C ATOM 1400 CD1 LEU A 91 -4.360 4.551 -1.096 1.00 0.00 C ATOM 1401 CD2 LEU A 91 -4.164 5.630 1.152 1.00 0.00 C ATOM 0 H LEU A 91 -8.006 4.258 -0.297 1.00 0.00 H new ATOM 0 HA LEU A 91 -7.090 6.022 1.743 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -6.578 5.735 -1.230 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -5.804 6.981 -0.272 1.00 0.00 H new ATOM 0 HG LEU A 91 -5.569 4.121 0.607 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -3.571 3.855 -0.811 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -5.049 4.058 -1.782 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -3.918 5.419 -1.586 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -3.378 4.919 1.405 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -3.717 6.525 0.719 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -4.714 5.899 2.054 1.00 0.00 H new ATOM 1413 N ALA A 92 -9.011 7.273 -0.635 1.00 0.00 N ATOM 1414 CA ALA A 92 -9.844 8.416 -0.986 1.00 0.00 C ATOM 1415 C ALA A 92 -10.753 8.809 0.174 1.00 0.00 C ATOM 1416 O ALA A 92 -11.028 9.990 0.386 1.00 0.00 O ATOM 1417 CB ALA A 92 -10.671 8.105 -2.225 1.00 0.00 C ATOM 0 H ALA A 92 -9.061 6.496 -1.294 1.00 0.00 H new ATOM 0 HA ALA A 92 -9.189 9.260 -1.202 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -11.289 8.967 -2.476 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -10.006 7.880 -3.059 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -11.311 7.245 -2.029 1.00 0.00 H new ATOM 1423 N TYR A 93 -11.216 7.813 0.920 1.00 0.00 N ATOM 1424 CA TYR A 93 -12.097 8.055 2.057 1.00 0.00 C ATOM 1425 C TYR A 93 -11.469 9.047 3.031 1.00 0.00 C ATOM 1426 O TYR A 93 -12.115 10.001 3.466 1.00 0.00 O ATOM 1427 CB TYR A 93 -12.407 6.742 2.778 1.00 0.00 C ATOM 1428 CG TYR A 93 -13.167 6.926 4.071 1.00 0.00 C ATOM 1429 CD1 TYR A 93 -12.544 7.445 5.199 1.00 0.00 C ATOM 1430 CD2 TYR A 93 -14.510 6.580 4.166 1.00 0.00 C ATOM 1431 CE1 TYR A 93 -13.234 7.615 6.383 1.00 0.00 C ATOM 1432 CE2 TYR A 93 -15.209 6.747 5.346 1.00 0.00 C ATOM 1433 CZ TYR A 93 -14.567 7.265 6.451 1.00 0.00 C ATOM 1434 OH TYR A 93 -15.260 7.432 7.629 1.00 0.00 O ATOM 0 H TYR A 93 -10.996 6.830 0.758 1.00 0.00 H new ATOM 0 HA TYR A 93 -13.026 8.482 1.680 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -12.987 6.101 2.114 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -11.472 6.222 2.987 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -11.501 7.721 5.149 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -15.016 6.174 3.303 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -12.733 8.019 7.250 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -16.252 6.473 5.403 1.00 0.00 H new ATOM 0 HH TYR A 93 -16.187 7.138 7.508 1.00 0.00 H new ATOM 1444 N TYR A 94 -10.205 8.816 3.367 1.00 0.00 N ATOM 1445 CA TYR A 94 -9.489 9.687 4.291 1.00 0.00 C ATOM 1446 C TYR A 94 -9.244 11.058 3.668 1.00 0.00 C ATOM 1447 O TYR A 94 -8.778 11.981 4.335 1.00 0.00 O ATOM 1448 CB TYR A 94 -8.157 9.053 4.694 1.00 0.00 C ATOM 1449 CG TYR A 94 -8.310 7.766 5.473 1.00 0.00 C ATOM 1450 CD1 TYR A 94 -8.677 7.781 6.812 1.00 0.00 C ATOM 1451 CD2 TYR A 94 -8.088 6.535 4.868 1.00 0.00 C ATOM 1452 CE1 TYR A 94 -8.817 6.607 7.528 1.00 0.00 C ATOM 1453 CE2 TYR A 94 -8.227 5.356 5.575 1.00 0.00 C ATOM 1454 CZ TYR A 94 -8.591 5.397 6.904 1.00 0.00 C ATOM 1455 OH TYR A 94 -8.731 4.226 7.613 1.00 0.00 O ATOM 0 H TYR A 94 -9.655 8.033 3.013 1.00 0.00 H new ATOM 0 HA TYR A 94 -10.106 9.817 5.180 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -7.571 8.857 3.796 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -7.592 9.766 5.294 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -8.856 8.726 7.303 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -7.802 6.499 3.827 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -9.102 6.636 8.569 1.00 0.00 H new ATOM 0 HE2 TYR A 94 -8.051 4.408 5.089 1.00 0.00 H new ATOM 0 HH TYR A 94 -9.406 4.346 8.313 1.00 0.00 H new ATOM 1465 N ASN A 95 -9.564 11.183 2.384 1.00 0.00 N ATOM 1466 CA ASN A 95 -9.380 12.441 1.669 1.00 0.00 C ATOM 1467 C ASN A 95 -7.907 12.835 1.633 1.00 0.00 C ATOM 1468 O ASN A 95 -7.551 13.974 1.935 1.00 0.00 O ATOM 1469 CB ASN A 95 -10.201 13.551 2.328 1.00 0.00 C ATOM 1470 CG ASN A 95 -11.633 13.585 1.831 1.00 0.00 C ATOM 1471 OD1 ASN A 95 -12.019 14.479 1.078 1.00 0.00 O ATOM 1472 ND2 ASN A 95 -12.428 12.608 2.251 1.00 0.00 N ATOM 0 H ASN A 95 -9.952 10.429 1.817 1.00 0.00 H new ATOM 0 HA ASN A 95 -9.726 12.302 0.645 1.00 0.00 H new ATOM 0 HB2 ASN A 95 -10.198 13.408 3.409 1.00 0.00 H new ATOM 0 HB3 ASN A 95 -9.729 14.514 2.132 1.00 0.00 H new ATOM 0 HD21 ASN A 95 -13.402 12.578 1.950 1.00 0.00 H new ATOM 0 HD22 ASN A 95 -12.065 11.888 2.875 1.00 0.00 H new ATOM 1479 N MET A 96 -7.055 11.886 1.260 1.00 0.00 N ATOM 1480 CA MET A 96 -5.620 12.134 1.182 1.00 0.00 C ATOM 1481 C MET A 96 -5.281 12.981 -0.040 1.00 0.00 C ATOM 1482 O MET A 96 -5.991 12.950 -1.045 1.00 0.00 O ATOM 1483 CB MET A 96 -4.853 10.811 1.129 1.00 0.00 C ATOM 1484 CG MET A 96 -5.036 9.953 2.371 1.00 0.00 C ATOM 1485 SD MET A 96 -3.695 8.771 2.601 1.00 0.00 S ATOM 1486 CE MET A 96 -4.387 7.718 3.874 1.00 0.00 C ATOM 0 H MET A 96 -7.333 10.938 1.007 1.00 0.00 H new ATOM 0 HA MET A 96 -5.322 12.682 2.076 1.00 0.00 H new ATOM 0 HB2 MET A 96 -5.179 10.246 0.256 1.00 0.00 H new ATOM 0 HB3 MET A 96 -3.792 11.021 0.995 1.00 0.00 H new ATOM 0 HG2 MET A 96 -5.101 10.598 3.247 1.00 0.00 H new ATOM 0 HG3 MET A 96 -5.981 9.415 2.300 1.00 0.00 H new ATOM 0 HE1 MET A 96 -3.582 7.202 4.397 1.00 0.00 H new ATOM 0 HE2 MET A 96 -4.949 8.326 4.583 1.00 0.00 H new ATOM 0 HE3 MET A 96 -5.052 6.984 3.418 1.00 0.00 H new ATOM 1496 N ALA A 97 -4.191 13.737 0.053 1.00 0.00 N ATOM 1497 CA ALA A 97 -3.758 14.591 -1.046 1.00 0.00 C ATOM 1498 C ALA A 97 -2.299 14.327 -1.404 1.00 0.00 C ATOM 1499 O ALA A 97 -1.566 13.700 -0.639 1.00 0.00 O ATOM 1500 CB ALA A 97 -3.959 16.056 -0.688 1.00 0.00 C ATOM 0 H ALA A 97 -3.592 13.775 0.878 1.00 0.00 H new ATOM 0 HA ALA A 97 -4.368 14.355 -1.918 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -3.631 16.682 -1.518 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -5.015 16.240 -0.489 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -3.375 16.297 0.200 1.00 0.00 H new ATOM 1506 N SER A 98 -1.884 14.808 -2.571 1.00 0.00 N ATOM 1507 CA SER A 98 -0.514 14.620 -3.032 1.00 0.00 C ATOM 1508 C SER A 98 0.482 15.171 -2.016 1.00 0.00 C ATOM 1509 O SER A 98 0.197 16.141 -1.315 1.00 0.00 O ATOM 1510 CB SER A 98 -0.310 15.304 -4.386 1.00 0.00 C ATOM 1511 OG SER A 98 -0.254 16.712 -4.242 1.00 0.00 O ATOM 0 H SER A 98 -2.477 15.331 -3.215 1.00 0.00 H new ATOM 0 HA SER A 98 -0.338 13.550 -3.143 1.00 0.00 H new ATOM 0 HB2 SER A 98 0.612 14.945 -4.843 1.00 0.00 H new ATOM 0 HB3 SER A 98 -1.125 15.036 -5.059 1.00 0.00 H new ATOM 0 HG SER A 98 -0.121 17.126 -5.120 1.00 0.00 H new ATOM 1517 N GLY A 99 1.652 14.544 -1.943 1.00 0.00 N ATOM 1518 CA GLY A 99 2.673 14.985 -1.010 1.00 0.00 C ATOM 1519 C GLY A 99 2.409 14.510 0.405 1.00 0.00 C ATOM 1520 O GLY A 99 2.778 15.178 1.370 1.00 0.00 O ATOM 0 H GLY A 99 1.911 13.739 -2.513 1.00 0.00 H new ATOM 0 HA2 GLY A 99 3.645 14.616 -1.338 1.00 0.00 H new ATOM 0 HA3 GLY A 99 2.725 16.074 -1.021 1.00 0.00 H new ATOM 1524 N ALA A 100 1.767 13.352 0.529 1.00 0.00 N ATOM 1525 CA ALA A 100 1.455 12.789 1.836 1.00 0.00 C ATOM 1526 C ALA A 100 2.631 11.988 2.384 1.00 0.00 C ATOM 1527 O ALA A 100 3.650 11.824 1.713 1.00 0.00 O ATOM 1528 CB ALA A 100 0.213 11.914 1.751 1.00 0.00 C ATOM 0 H ALA A 100 1.453 12.787 -0.260 1.00 0.00 H new ATOM 0 HA ALA A 100 1.260 13.614 2.522 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -0.008 11.500 2.735 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -0.632 12.513 1.411 1.00 0.00 H new ATOM 0 HB3 ALA A 100 0.388 11.101 1.046 1.00 0.00 H new ATOM 1534 N VAL A 101 2.484 11.492 3.609 1.00 0.00 N ATOM 1535 CA VAL A 101 3.535 10.708 4.247 1.00 0.00 C ATOM 1536 C VAL A 101 2.947 9.568 5.071 1.00 0.00 C ATOM 1537 O VAL A 101 2.269 9.798 6.073 1.00 0.00 O ATOM 1538 CB VAL A 101 4.414 11.584 5.159 1.00 0.00 C ATOM 1539 CG1 VAL A 101 3.562 12.296 6.199 1.00 0.00 C ATOM 1540 CG2 VAL A 101 5.493 10.744 5.825 1.00 0.00 C ATOM 0 H VAL A 101 1.648 11.619 4.179 1.00 0.00 H new ATOM 0 HA VAL A 101 4.151 10.296 3.448 1.00 0.00 H new ATOM 0 HB VAL A 101 4.902 12.341 4.545 1.00 0.00 H new ATOM 0 HG11 VAL A 101 4.201 12.910 6.834 1.00 0.00 H new ATOM 0 HG12 VAL A 101 2.831 12.930 5.698 1.00 0.00 H new ATOM 0 HG13 VAL A 101 3.043 11.558 6.811 1.00 0.00 H new ATOM 0 HG21 VAL A 101 6.105 11.379 6.466 1.00 0.00 H new ATOM 0 HG22 VAL A 101 5.027 9.963 6.426 1.00 0.00 H new ATOM 0 HG23 VAL A 101 6.122 10.287 5.061 1.00 0.00 H new ATOM 1550 N ILE A 102 3.211 8.338 4.642 1.00 0.00 N ATOM 1551 CA ILE A 102 2.708 7.162 5.341 1.00 0.00 C ATOM 1552 C ILE A 102 3.712 6.668 6.378 1.00 0.00 C ATOM 1553 O ILE A 102 4.778 6.158 6.032 1.00 0.00 O ATOM 1554 CB ILE A 102 2.394 6.016 4.361 1.00 0.00 C ATOM 1555 CG1 ILE A 102 1.316 6.448 3.365 1.00 0.00 C ATOM 1556 CG2 ILE A 102 1.953 4.774 5.121 1.00 0.00 C ATOM 1557 CD1 ILE A 102 -0.024 6.727 4.008 1.00 0.00 C ATOM 0 H ILE A 102 3.770 8.130 3.814 1.00 0.00 H new ATOM 0 HA ILE A 102 1.788 7.462 5.843 1.00 0.00 H new ATOM 0 HB ILE A 102 3.300 5.775 3.805 1.00 0.00 H new ATOM 0 HG12 ILE A 102 1.653 7.344 2.843 1.00 0.00 H new ATOM 0 HG13 ILE A 102 1.194 5.668 2.613 1.00 0.00 H new ATOM 0 HG21 ILE A 102 1.735 3.973 4.414 1.00 0.00 H new ATOM 0 HG22 ILE A 102 2.750 4.457 5.794 1.00 0.00 H new ATOM 0 HG23 ILE A 102 1.058 5.001 5.700 1.00 0.00 H new ATOM 0 HD11 ILE A 102 -0.739 7.028 3.243 1.00 0.00 H new ATOM 0 HD12 ILE A 102 -0.383 5.826 4.506 1.00 0.00 H new ATOM 0 HD13 ILE A 102 0.083 7.528 4.739 1.00 0.00 H new ATOM 1569 N HIS A 103 3.362 6.822 7.651 1.00 0.00 N ATOM 1570 CA HIS A 103 4.232 6.389 8.740 1.00 0.00 C ATOM 1571 C HIS A 103 4.071 4.895 9.003 1.00 0.00 C ATOM 1572 O HIS A 103 2.952 4.386 9.088 1.00 0.00 O ATOM 1573 CB HIS A 103 3.923 7.179 10.012 1.00 0.00 C ATOM 1574 CG HIS A 103 4.554 8.537 10.042 1.00 0.00 C ATOM 1575 ND1 HIS A 103 5.585 8.868 10.896 1.00 0.00 N ATOM 1576 CD2 HIS A 103 4.297 9.649 9.316 1.00 0.00 C ATOM 1577 CE1 HIS A 103 5.933 10.126 10.695 1.00 0.00 C ATOM 1578 NE2 HIS A 103 5.167 10.623 9.741 1.00 0.00 N ATOM 0 H HIS A 103 2.484 7.243 7.954 1.00 0.00 H new ATOM 0 HA HIS A 103 5.264 6.579 8.445 1.00 0.00 H new ATOM 0 HB2 HIS A 103 2.843 7.287 10.109 1.00 0.00 H new ATOM 0 HB3 HIS A 103 4.265 6.609 10.876 1.00 0.00 H new ATOM 0 HD2 HIS A 103 3.547 9.752 8.546 1.00 0.00 H new ATOM 0 HE1 HIS A 103 6.712 10.658 11.221 1.00 0.00 H new ATOM 0 HE2 HIS A 103 5.214 11.575 9.379 1.00 0.00 H new ATOM 1587 N LEU A 104 5.194 4.197 9.129 1.00 0.00 N ATOM 1588 CA LEU A 104 5.177 2.760 9.382 1.00 0.00 C ATOM 1589 C LEU A 104 5.413 2.465 10.859 1.00 0.00 C ATOM 1590 O LEU A 104 6.252 3.094 11.503 1.00 0.00 O ATOM 1591 CB LEU A 104 6.242 2.062 8.534 1.00 0.00 C ATOM 1592 CG LEU A 104 6.271 0.535 8.618 1.00 0.00 C ATOM 1593 CD1 LEU A 104 5.004 -0.057 8.020 1.00 0.00 C ATOM 1594 CD2 LEU A 104 7.503 -0.014 7.913 1.00 0.00 C ATOM 0 H LEU A 104 6.128 4.602 9.060 1.00 0.00 H new ATOM 0 HA LEU A 104 4.194 2.378 9.107 1.00 0.00 H new ATOM 0 HB2 LEU A 104 6.092 2.346 7.492 1.00 0.00 H new ATOM 0 HB3 LEU A 104 7.220 2.441 8.830 1.00 0.00 H new ATOM 0 HG LEU A 104 6.320 0.249 9.669 1.00 0.00 H new ATOM 0 HD11 LEU A 104 5.043 -1.144 8.089 1.00 0.00 H new ATOM 0 HD12 LEU A 104 4.137 0.311 8.568 1.00 0.00 H new ATOM 0 HD13 LEU A 104 4.923 0.238 6.974 1.00 0.00 H new ATOM 0 HD21 LEU A 104 7.508 -1.102 7.983 1.00 0.00 H new ATOM 0 HD22 LEU A 104 7.484 0.282 6.864 1.00 0.00 H new ATOM 0 HD23 LEU A 104 8.401 0.384 8.387 1.00 0.00 H new ATOM 1606 N ALA A 105 4.668 1.501 11.391 1.00 0.00 N ATOM 1607 CA ALA A 105 4.798 1.118 12.791 1.00 0.00 C ATOM 1608 C ALA A 105 4.887 -0.396 12.941 1.00 0.00 C ATOM 1609 O ALA A 105 4.342 -1.144 12.128 1.00 0.00 O ATOM 1610 CB ALA A 105 3.629 1.663 13.598 1.00 0.00 C ATOM 0 H ALA A 105 3.968 0.971 10.872 1.00 0.00 H new ATOM 0 HA ALA A 105 5.723 1.549 13.175 1.00 0.00 H new ATOM 0 HB1 ALA A 105 3.739 1.369 14.642 1.00 0.00 H new ATOM 0 HB2 ALA A 105 3.613 2.751 13.527 1.00 0.00 H new ATOM 0 HB3 ALA A 105 2.696 1.260 13.204 1.00 0.00 H new ATOM 1616 N LEU A 106 5.579 -0.844 13.983 1.00 0.00 N ATOM 1617 CA LEU A 106 5.740 -2.271 14.239 1.00 0.00 C ATOM 1618 C LEU A 106 4.523 -2.835 14.965 1.00 0.00 C ATOM 1619 O LEU A 106 3.878 -2.140 15.750 1.00 0.00 O ATOM 1620 CB LEU A 106 7.003 -2.521 15.065 1.00 0.00 C ATOM 1621 CG LEU A 106 8.283 -2.787 14.272 1.00 0.00 C ATOM 1622 CD1 LEU A 106 8.151 -4.065 13.459 1.00 0.00 C ATOM 1623 CD2 LEU A 106 8.602 -1.607 13.365 1.00 0.00 C ATOM 0 H LEU A 106 6.038 -0.239 14.664 1.00 0.00 H new ATOM 0 HA LEU A 106 5.834 -2.779 13.279 1.00 0.00 H new ATOM 0 HB2 LEU A 106 7.170 -1.656 15.707 1.00 0.00 H new ATOM 0 HB3 LEU A 106 6.822 -3.373 15.720 1.00 0.00 H new ATOM 0 HG LEU A 106 9.105 -2.912 14.976 1.00 0.00 H new ATOM 0 HD11 LEU A 106 9.071 -4.238 12.901 1.00 0.00 H new ATOM 0 HD12 LEU A 106 7.969 -4.905 14.129 1.00 0.00 H new ATOM 0 HD13 LEU A 106 7.318 -3.969 12.763 1.00 0.00 H new ATOM 0 HD21 LEU A 106 9.516 -1.813 12.808 1.00 0.00 H new ATOM 0 HD22 LEU A 106 7.779 -1.451 12.667 1.00 0.00 H new ATOM 0 HD23 LEU A 106 8.740 -0.710 13.969 1.00 0.00 H new ATOM 1635 N LYS A 107 4.216 -4.100 14.700 1.00 0.00 N ATOM 1636 CA LYS A 107 3.079 -4.760 15.330 1.00 0.00 C ATOM 1637 C LYS A 107 3.218 -4.751 16.849 1.00 0.00 C ATOM 1638 O LYS A 107 4.212 -5.230 17.393 1.00 0.00 O ATOM 1639 CB LYS A 107 2.957 -6.201 14.828 1.00 0.00 C ATOM 1640 CG LYS A 107 1.610 -6.837 15.127 1.00 0.00 C ATOM 1641 CD LYS A 107 1.433 -8.145 14.375 1.00 0.00 C ATOM 1642 CE LYS A 107 0.445 -9.063 15.079 1.00 0.00 C ATOM 1643 NZ LYS A 107 -0.904 -8.441 15.195 1.00 0.00 N ATOM 0 H LYS A 107 4.739 -4.689 14.052 1.00 0.00 H new ATOM 0 HA LYS A 107 2.177 -4.210 15.061 1.00 0.00 H new ATOM 0 HB2 LYS A 107 3.126 -6.217 13.751 1.00 0.00 H new ATOM 0 HB3 LYS A 107 3.743 -6.803 15.283 1.00 0.00 H new ATOM 0 HG2 LYS A 107 1.521 -7.017 16.198 1.00 0.00 H new ATOM 0 HG3 LYS A 107 0.812 -6.147 14.853 1.00 0.00 H new ATOM 0 HD2 LYS A 107 1.083 -7.940 13.363 1.00 0.00 H new ATOM 0 HD3 LYS A 107 2.396 -8.647 14.284 1.00 0.00 H new ATOM 0 HE2 LYS A 107 0.366 -10.001 14.530 1.00 0.00 H new ATOM 0 HE3 LYS A 107 0.820 -9.306 16.073 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 -1.569 -9.128 15.603 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 -0.849 -7.605 15.811 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 -1.237 -8.155 14.252 1.00 0.00 H new