USER MOD reduce.3.24.130724 H: found=0, std=0, add=686, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 685 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 86 ASN : amide:sc= -2.32 K(o=-4.5,f=-6.9!) USER MOD Set 1.2: A 88 SER OG : rot 180:sc= -0.769 USER MOD Set 1.3: A 108 GLN : amide:sc= -1.39 K(o=-4.5,f=-6.3!) USER MOD Set 2.1: A 78 GLN : amide:sc= -1.28 K(o=-1.3,f=-0.28) USER MOD Set 2.2: A 80 ASN : amide:sc= 0 K(o=-1.3,f=-0.28) USER MOD Set 3.1: A 18 ASN : amide:sc= -4.23! K(o=-11!,f=-1.8) USER MOD Set 3.2: A 43 ASN : amide:sc= -7.12! K(o=-11!,f=-1.8) USER MOD Set 4.1: A 34 GLN : amide:sc= -1.95! K(o=-2.7!,f=0.84) USER MOD Set 4.2: A 36 SER OG : rot 180:sc= -0.802! USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 ASN : amide:sc= -1.41 K(o=-1.4,f=-0.16) USER MOD Single : A 45 SER OG : rot 73:sc= 0.422 USER MOD Single : A 48 THR OG1 : rot -3:sc= -1.33 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 59 HIS : no HE2:sc= -0.439 K(o=-0.44,f=-5!) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 HIS : no HD1:sc= -0.219 X(o=-0.22,f=-0.00039) USER MOD Single : A 66 HIS : no HD1:sc= -0.461 X(o=-0.46,f=-0.11) USER MOD Single : A 67 GLN : amide:sc= -1.69 K(o=-1.7,f=-5.5!) USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 GLN : amide:sc= -9.35! C(o=-9.4!,f=-7.1!) USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 THR OG1 : rot 41:sc= 0.241 USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 TYR OH : rot -110:sc= -1.38 USER MOD Single : A 92 MET CE :methyl -144:sc= -4.88! (180deg=-10.7!) USER MOD Single : A 95 ASN : amide:sc= -7.73! C(o=-7.7!,f=-16!) USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 SER OG : rot -152:sc= 1.1 USER MOD Single : A 103 SER OG : rot 100:sc= -2.01! USER MOD Single : A 106 SER OG : rot 180:sc= -2.25! USER MOD Single : A 109 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 132 N VAL A 13 -27.510 -11.039 -6.968 1.00 0.00 N ATOM 133 CA VAL A 13 -27.458 -9.594 -6.828 1.00 0.00 C ATOM 134 C VAL A 13 -26.010 -9.160 -6.592 1.00 0.00 C ATOM 135 O VAL A 13 -25.580 -9.016 -5.449 1.00 0.00 O ATOM 136 CB VAL A 13 -28.406 -9.141 -5.716 1.00 0.00 C ATOM 137 CG1 VAL A 13 -28.136 -9.908 -4.419 1.00 0.00 C ATOM 138 CG2 VAL A 13 -28.306 -7.631 -5.490 1.00 0.00 C ATOM 0 HA VAL A 13 -27.798 -9.110 -7.744 1.00 0.00 H new ATOM 0 HB VAL A 13 -29.424 -9.365 -6.033 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -28.823 -9.567 -3.645 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -28.282 -10.975 -4.590 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -27.110 -9.729 -4.098 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -28.990 -7.336 -4.694 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -27.286 -7.372 -5.206 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -28.570 -7.107 -6.409 1.00 0.00 H new ATOM 148 N TYR A 14 -25.298 -8.964 -7.693 1.00 0.00 N ATOM 149 CA TYR A 14 -23.907 -8.550 -7.620 1.00 0.00 C ATOM 150 C TYR A 14 -23.793 -7.084 -7.197 1.00 0.00 C ATOM 151 O TYR A 14 -24.799 -6.437 -6.909 1.00 0.00 O ATOM 152 CB TYR A 14 -23.347 -8.705 -9.035 1.00 0.00 C ATOM 153 CG TYR A 14 -23.428 -10.131 -9.584 1.00 0.00 C ATOM 154 CD1 TYR A 14 -22.449 -11.050 -9.266 1.00 0.00 C ATOM 155 CD2 TYR A 14 -24.481 -10.498 -10.398 1.00 0.00 C ATOM 156 CE1 TYR A 14 -22.526 -12.392 -9.783 1.00 0.00 C ATOM 157 CE2 TYR A 14 -24.557 -11.840 -10.915 1.00 0.00 C ATOM 158 CZ TYR A 14 -23.576 -12.720 -10.581 1.00 0.00 C ATOM 159 OH TYR A 14 -23.648 -13.988 -11.069 1.00 0.00 O ATOM 0 H TYR A 14 -25.658 -9.084 -8.640 1.00 0.00 H new ATOM 0 HA TYR A 14 -23.366 -9.149 -6.888 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -23.890 -8.038 -9.704 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -22.306 -8.384 -9.040 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -21.625 -10.763 -8.629 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -25.247 -9.779 -10.647 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -21.767 -13.121 -9.542 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -25.375 -12.140 -11.553 1.00 0.00 H new ATOM 0 HH TYR A 14 -24.451 -14.080 -11.623 1.00 0.00 H new ATOM 169 N ASP A 15 -22.559 -6.603 -7.172 1.00 0.00 N ATOM 170 CA ASP A 15 -22.300 -5.226 -6.789 1.00 0.00 C ATOM 171 C ASP A 15 -20.806 -5.051 -6.508 1.00 0.00 C ATOM 172 O ASP A 15 -20.425 -4.527 -5.463 1.00 0.00 O ATOM 173 CB ASP A 15 -23.067 -4.854 -5.518 1.00 0.00 C ATOM 174 CG ASP A 15 -24.417 -4.175 -5.753 1.00 0.00 C ATOM 175 OD1 ASP A 15 -24.467 -3.305 -6.650 1.00 0.00 O ATOM 176 OD2 ASP A 15 -25.369 -4.540 -5.030 1.00 0.00 O ATOM 0 H ASP A 15 -21.727 -7.143 -7.411 1.00 0.00 H new ATOM 0 HA ASP A 15 -22.624 -4.582 -7.607 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -23.229 -5.759 -4.932 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -22.444 -4.192 -4.916 1.00 0.00 H new ATOM 181 N VAL A 16 -20.001 -5.500 -7.460 1.00 0.00 N ATOM 182 CA VAL A 16 -18.558 -5.400 -7.328 1.00 0.00 C ATOM 183 C VAL A 16 -18.135 -5.948 -5.964 1.00 0.00 C ATOM 184 O VAL A 16 -18.956 -6.061 -5.055 1.00 0.00 O ATOM 185 CB VAL A 16 -18.110 -3.954 -7.556 1.00 0.00 C ATOM 186 CG1 VAL A 16 -18.421 -3.503 -8.985 1.00 0.00 C ATOM 187 CG2 VAL A 16 -18.751 -3.015 -6.533 1.00 0.00 C ATOM 0 H VAL A 16 -20.321 -5.934 -8.326 1.00 0.00 H new ATOM 0 HA VAL A 16 -18.063 -6.004 -8.089 1.00 0.00 H new ATOM 0 HB VAL A 16 -17.029 -3.912 -7.419 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -18.093 -2.472 -9.121 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -17.897 -4.147 -9.692 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -19.495 -3.568 -9.162 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -18.417 -1.994 -6.717 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -19.836 -3.063 -6.624 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -18.458 -3.317 -5.528 1.00 0.00 H new ATOM 197 N PRO A 17 -16.821 -6.283 -5.861 1.00 0.00 N ATOM 198 CA PRO A 17 -16.280 -6.817 -4.622 1.00 0.00 C ATOM 199 C PRO A 17 -16.117 -5.714 -3.575 1.00 0.00 C ATOM 200 O PRO A 17 -15.438 -4.717 -3.818 1.00 0.00 O ATOM 201 CB PRO A 17 -14.961 -7.462 -5.016 1.00 0.00 C ATOM 202 CG PRO A 17 -14.590 -6.865 -6.363 1.00 0.00 C ATOM 203 CD PRO A 17 -15.820 -6.162 -6.916 1.00 0.00 C ATOM 0 HA PRO A 17 -16.941 -7.546 -4.153 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -14.190 -7.259 -4.273 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -15.061 -8.545 -5.083 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -13.765 -6.161 -6.254 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -14.256 -7.645 -7.047 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -15.610 -5.117 -7.145 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -16.161 -6.628 -7.841 1.00 0.00 H new ATOM 211 N ASN A 18 -16.750 -5.929 -2.431 1.00 0.00 N ATOM 212 CA ASN A 18 -16.684 -4.966 -1.346 1.00 0.00 C ATOM 213 C ASN A 18 -15.233 -4.519 -1.154 1.00 0.00 C ATOM 214 O ASN A 18 -14.310 -5.167 -1.645 1.00 0.00 O ATOM 215 CB ASN A 18 -17.166 -5.583 -0.031 1.00 0.00 C ATOM 216 CG ASN A 18 -18.680 -5.424 0.127 1.00 0.00 C ATOM 217 OD1 ASN A 18 -19.195 -5.179 1.205 1.00 0.00 O ATOM 218 ND2 ASN A 18 -19.361 -5.576 -1.006 1.00 0.00 N ATOM 0 H ASN A 18 -17.311 -6.757 -2.232 1.00 0.00 H new ATOM 0 HA ASN A 18 -17.324 -4.123 -1.605 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -16.903 -6.640 -0.003 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -16.657 -5.106 0.807 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -20.377 -5.488 -1.006 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -18.867 -5.780 -1.875 1.00 0.00 H new ATOM 225 N PRO A 19 -15.074 -3.385 -0.420 1.00 0.00 N ATOM 226 CA PRO A 19 -13.751 -2.844 -0.158 1.00 0.00 C ATOM 227 C PRO A 19 -13.019 -3.673 0.900 1.00 0.00 C ATOM 228 O PRO A 19 -13.646 -4.231 1.799 1.00 0.00 O ATOM 229 CB PRO A 19 -13.993 -1.407 0.276 1.00 0.00 C ATOM 230 CG PRO A 19 -15.454 -1.337 0.687 1.00 0.00 C ATOM 231 CD PRO A 19 -16.144 -2.591 0.177 1.00 0.00 C ATOM 0 HA PRO A 19 -13.102 -2.878 -1.033 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -13.340 -1.134 1.105 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -13.782 -0.713 -0.537 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -15.542 -1.267 1.771 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -15.925 -0.446 0.271 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -16.633 -3.131 0.987 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -16.914 -2.349 -0.556 1.00 0.00 H new ATOM 239 N PRO A 20 -11.668 -3.728 0.753 1.00 0.00 N ATOM 240 CA PRO A 20 -10.845 -4.479 1.685 1.00 0.00 C ATOM 241 C PRO A 20 -10.705 -3.737 3.016 1.00 0.00 C ATOM 242 O PRO A 20 -11.167 -2.605 3.150 1.00 0.00 O ATOM 243 CB PRO A 20 -9.517 -4.672 0.970 1.00 0.00 C ATOM 244 CG PRO A 20 -9.485 -3.630 -0.136 1.00 0.00 C ATOM 245 CD PRO A 20 -10.892 -3.079 -0.299 1.00 0.00 C ATOM 0 HA PRO A 20 -11.283 -5.441 1.951 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -8.681 -4.539 1.656 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -9.436 -5.679 0.561 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -8.788 -2.830 0.114 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -9.139 -4.074 -1.069 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -10.908 -1.994 -0.191 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -11.295 -3.307 -1.286 1.00 0.00 H new ATOM 253 N PHE A 21 -10.065 -4.404 3.965 1.00 0.00 N ATOM 254 CA PHE A 21 -9.859 -3.821 5.280 1.00 0.00 C ATOM 255 C PHE A 21 -8.592 -4.377 5.933 1.00 0.00 C ATOM 256 O PHE A 21 -7.946 -5.268 5.384 1.00 0.00 O ATOM 257 CB PHE A 21 -11.069 -4.204 6.134 1.00 0.00 C ATOM 258 CG PHE A 21 -11.391 -5.700 6.122 1.00 0.00 C ATOM 259 CD1 PHE A 21 -12.204 -6.213 5.160 1.00 0.00 C ATOM 260 CD2 PHE A 21 -10.863 -6.517 7.073 1.00 0.00 C ATOM 261 CE1 PHE A 21 -12.502 -7.601 5.148 1.00 0.00 C ATOM 262 CE2 PHE A 21 -11.162 -7.905 7.061 1.00 0.00 C ATOM 263 CZ PHE A 21 -11.975 -8.418 6.099 1.00 0.00 C ATOM 0 H PHE A 21 -9.682 -5.342 3.850 1.00 0.00 H new ATOM 0 HA PHE A 21 -9.748 -2.740 5.195 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -10.889 -3.890 7.162 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -11.940 -3.653 5.780 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -12.623 -5.564 4.405 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -10.217 -6.110 7.837 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -13.147 -8.008 4.384 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -10.744 -8.554 7.816 1.00 0.00 H new ATOM 0 HZ PHE A 21 -12.202 -9.474 6.090 1.00 0.00 H new ATOM 273 N ASP A 22 -8.274 -3.827 7.096 1.00 0.00 N ATOM 274 CA ASP A 22 -7.096 -4.257 7.830 1.00 0.00 C ATOM 275 C ASP A 22 -5.843 -3.911 7.022 1.00 0.00 C ATOM 276 O ASP A 22 -4.764 -4.438 7.287 1.00 0.00 O ATOM 277 CB ASP A 22 -7.109 -5.770 8.056 1.00 0.00 C ATOM 278 CG ASP A 22 -6.870 -6.210 9.502 1.00 0.00 C ATOM 279 OD1 ASP A 22 -7.520 -5.617 10.390 1.00 0.00 O ATOM 280 OD2 ASP A 22 -6.043 -7.129 9.686 1.00 0.00 O ATOM 0 H ASP A 22 -8.812 -3.087 7.548 1.00 0.00 H new ATOM 0 HA ASP A 22 -7.095 -3.748 8.794 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -8.071 -6.163 7.727 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -6.346 -6.223 7.423 1.00 0.00 H new ATOM 285 N LEU A 23 -6.028 -3.026 6.054 1.00 0.00 N ATOM 286 CA LEU A 23 -4.926 -2.603 5.206 1.00 0.00 C ATOM 287 C LEU A 23 -3.746 -2.181 6.084 1.00 0.00 C ATOM 288 O LEU A 23 -3.910 -1.389 7.011 1.00 0.00 O ATOM 289 CB LEU A 23 -5.387 -1.518 4.231 1.00 0.00 C ATOM 290 CG LEU A 23 -5.240 -1.847 2.743 1.00 0.00 C ATOM 291 CD1 LEU A 23 -6.335 -2.811 2.285 1.00 0.00 C ATOM 292 CD2 LEU A 23 -5.209 -0.571 1.900 1.00 0.00 C ATOM 0 H LEU A 23 -6.924 -2.590 5.838 1.00 0.00 H new ATOM 0 HA LEU A 23 -4.582 -3.431 4.586 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -6.435 -1.298 4.432 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -4.825 -0.608 4.439 1.00 0.00 H new ATOM 0 HG LEU A 23 -4.285 -2.352 2.597 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -6.208 -3.029 1.225 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -6.267 -3.737 2.856 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -7.312 -2.356 2.447 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -5.104 -0.833 0.847 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -6.136 -0.016 2.045 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -4.365 0.047 2.206 1.00 0.00 H new ATOM 304 N GLU A 24 -2.584 -2.728 5.760 1.00 0.00 N ATOM 305 CA GLU A 24 -1.377 -2.418 6.508 1.00 0.00 C ATOM 306 C GLU A 24 -0.137 -2.803 5.698 1.00 0.00 C ATOM 307 O GLU A 24 -0.191 -3.709 4.868 1.00 0.00 O ATOM 308 CB GLU A 24 -1.381 -3.115 7.870 1.00 0.00 C ATOM 309 CG GLU A 24 -1.591 -2.107 9.001 1.00 0.00 C ATOM 310 CD GLU A 24 -2.649 -2.604 9.989 1.00 0.00 C ATOM 311 OE1 GLU A 24 -3.844 -2.520 9.631 1.00 0.00 O ATOM 312 OE2 GLU A 24 -2.239 -3.056 11.080 1.00 0.00 O ATOM 0 H GLU A 24 -2.452 -3.384 4.990 1.00 0.00 H new ATOM 0 HA GLU A 24 -1.350 -1.343 6.688 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -2.171 -3.866 7.896 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -0.437 -3.640 8.017 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -0.649 -1.941 9.524 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -1.899 -1.147 8.585 1.00 0.00 H new ATOM 319 N LEU A 25 0.950 -2.096 5.968 1.00 0.00 N ATOM 320 CA LEU A 25 2.201 -2.352 5.275 1.00 0.00 C ATOM 321 C LEU A 25 3.086 -3.248 6.144 1.00 0.00 C ATOM 322 O LEU A 25 3.684 -2.784 7.113 1.00 0.00 O ATOM 323 CB LEU A 25 2.868 -1.037 4.869 1.00 0.00 C ATOM 324 CG LEU A 25 2.184 -0.257 3.744 1.00 0.00 C ATOM 325 CD1 LEU A 25 2.113 -1.090 2.464 1.00 0.00 C ATOM 326 CD2 LEU A 25 0.805 0.241 4.182 1.00 0.00 C ATOM 0 H LEU A 25 0.990 -1.346 6.658 1.00 0.00 H new ATOM 0 HA LEU A 25 2.018 -2.890 4.345 1.00 0.00 H new ATOM 0 HB2 LEU A 25 2.924 -0.395 5.748 1.00 0.00 H new ATOM 0 HB3 LEU A 25 3.893 -1.251 4.565 1.00 0.00 H new ATOM 0 HG LEU A 25 2.788 0.623 3.522 1.00 0.00 H new ATOM 0 HD11 LEU A 25 1.622 -0.512 1.681 1.00 0.00 H new ATOM 0 HD12 LEU A 25 3.121 -1.352 2.144 1.00 0.00 H new ATOM 0 HD13 LEU A 25 1.544 -2.000 2.653 1.00 0.00 H new ATOM 0 HD21 LEU A 25 0.341 0.792 3.364 1.00 0.00 H new ATOM 0 HD22 LEU A 25 0.178 -0.610 4.448 1.00 0.00 H new ATOM 0 HD23 LEU A 25 0.912 0.896 5.046 1.00 0.00 H new ATOM 445 N VAL A 33 8.600 -3.140 0.536 1.00 0.00 N ATOM 446 CA VAL A 33 7.551 -3.295 1.529 1.00 0.00 C ATOM 447 C VAL A 33 6.365 -4.032 0.902 1.00 0.00 C ATOM 448 O VAL A 33 6.024 -3.793 -0.255 1.00 0.00 O ATOM 449 CB VAL A 33 7.169 -1.929 2.105 1.00 0.00 C ATOM 450 CG1 VAL A 33 6.402 -1.096 1.077 1.00 0.00 C ATOM 451 CG2 VAL A 33 6.364 -2.085 3.396 1.00 0.00 C ATOM 0 HA VAL A 33 7.904 -3.899 2.365 1.00 0.00 H new ATOM 0 HB VAL A 33 8.089 -1.397 2.347 1.00 0.00 H new ATOM 0 HG11 VAL A 33 6.143 -0.131 1.512 1.00 0.00 H new ATOM 0 HG12 VAL A 33 7.025 -0.942 0.196 1.00 0.00 H new ATOM 0 HG13 VAL A 33 5.491 -1.621 0.790 1.00 0.00 H new ATOM 0 HG21 VAL A 33 6.105 -1.100 3.785 1.00 0.00 H new ATOM 0 HG22 VAL A 33 5.452 -2.645 3.191 1.00 0.00 H new ATOM 0 HG23 VAL A 33 6.960 -2.621 4.134 1.00 0.00 H new ATOM 461 N GLN A 34 5.771 -4.912 1.694 1.00 0.00 N ATOM 462 CA GLN A 34 4.631 -5.685 1.231 1.00 0.00 C ATOM 463 C GLN A 34 3.343 -5.172 1.880 1.00 0.00 C ATOM 464 O GLN A 34 3.248 -5.095 3.104 1.00 0.00 O ATOM 465 CB GLN A 34 4.830 -7.176 1.511 1.00 0.00 C ATOM 466 CG GLN A 34 3.554 -7.965 1.210 1.00 0.00 C ATOM 467 CD GLN A 34 2.993 -8.606 2.481 1.00 0.00 C ATOM 468 OE1 GLN A 34 3.297 -9.738 2.822 1.00 0.00 O ATOM 469 NE2 GLN A 34 2.161 -7.823 3.161 1.00 0.00 N ATOM 0 H GLN A 34 6.058 -5.107 2.653 1.00 0.00 H new ATOM 0 HA GLN A 34 4.546 -5.560 0.152 1.00 0.00 H new ATOM 0 HB2 GLN A 34 5.650 -7.558 0.903 1.00 0.00 H new ATOM 0 HB3 GLN A 34 5.113 -7.319 2.554 1.00 0.00 H new ATOM 0 HG2 GLN A 34 2.807 -7.302 0.772 1.00 0.00 H new ATOM 0 HG3 GLN A 34 3.766 -8.738 0.472 1.00 0.00 H new ATOM 0 HE21 GLN A 34 1.949 -6.885 2.820 1.00 0.00 H new ATOM 0 HE22 GLN A 34 1.734 -8.160 4.024 1.00 0.00 H new ATOM 478 N LEU A 35 2.384 -4.835 1.030 1.00 0.00 N ATOM 479 CA LEU A 35 1.107 -4.331 1.505 1.00 0.00 C ATOM 480 C LEU A 35 0.136 -5.501 1.678 1.00 0.00 C ATOM 481 O LEU A 35 -0.080 -6.277 0.749 1.00 0.00 O ATOM 482 CB LEU A 35 0.586 -3.232 0.577 1.00 0.00 C ATOM 483 CG LEU A 35 -0.836 -2.739 0.854 1.00 0.00 C ATOM 484 CD1 LEU A 35 -0.846 -1.694 1.972 1.00 0.00 C ATOM 485 CD2 LEU A 35 -1.494 -2.217 -0.425 1.00 0.00 C ATOM 0 H LEU A 35 2.466 -4.901 0.015 1.00 0.00 H new ATOM 0 HA LEU A 35 1.221 -3.863 2.483 1.00 0.00 H new ATOM 0 HB2 LEU A 35 1.263 -2.380 0.639 1.00 0.00 H new ATOM 0 HB3 LEU A 35 0.629 -3.599 -0.448 1.00 0.00 H new ATOM 0 HG LEU A 35 -1.430 -3.585 1.199 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -1.868 -1.360 2.149 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -0.445 -2.134 2.885 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -0.232 -0.842 1.679 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -2.504 -1.873 -0.200 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -0.908 -1.388 -0.823 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -1.539 -3.017 -1.164 1.00 0.00 H new ATOM 497 N SER A 36 -0.425 -5.591 2.876 1.00 0.00 N ATOM 498 CA SER A 36 -1.368 -6.653 3.183 1.00 0.00 C ATOM 499 C SER A 36 -2.784 -6.082 3.281 1.00 0.00 C ATOM 500 O SER A 36 -3.037 -5.172 4.068 1.00 0.00 O ATOM 501 CB SER A 36 -0.991 -7.364 4.484 1.00 0.00 C ATOM 502 OG SER A 36 -0.003 -8.369 4.276 1.00 0.00 O ATOM 0 H SER A 36 -0.244 -4.946 3.645 1.00 0.00 H new ATOM 0 HA SER A 36 -1.333 -7.386 2.377 1.00 0.00 H new ATOM 0 HB2 SER A 36 -0.619 -6.633 5.202 1.00 0.00 H new ATOM 0 HB3 SER A 36 -1.881 -7.816 4.921 1.00 0.00 H new ATOM 0 HG SER A 36 0.212 -8.798 5.130 1.00 0.00 H new ATOM 508 N TRP A 37 -3.670 -6.642 2.470 1.00 0.00 N ATOM 509 CA TRP A 37 -5.054 -6.201 2.455 1.00 0.00 C ATOM 510 C TRP A 37 -5.945 -7.432 2.638 1.00 0.00 C ATOM 511 O TRP A 37 -5.491 -8.562 2.466 1.00 0.00 O ATOM 512 CB TRP A 37 -5.368 -5.421 1.177 1.00 0.00 C ATOM 513 CG TRP A 37 -5.206 -6.238 -0.106 1.00 0.00 C ATOM 514 CD1 TRP A 37 -6.107 -7.035 -0.696 1.00 0.00 C ATOM 515 CD2 TRP A 37 -4.029 -6.306 -0.939 1.00 0.00 C ATOM 516 NE1 TRP A 37 -5.600 -7.610 -1.844 1.00 0.00 N ATOM 517 CE2 TRP A 37 -4.296 -7.153 -1.996 1.00 0.00 C ATOM 518 CE3 TRP A 37 -2.781 -5.674 -0.804 1.00 0.00 C ATOM 519 CZ2 TRP A 37 -3.364 -7.444 -3.000 1.00 0.00 C ATOM 520 CZ3 TRP A 37 -1.860 -5.976 -1.815 1.00 0.00 C ATOM 521 CH2 TRP A 37 -2.113 -6.825 -2.886 1.00 0.00 C ATOM 0 H TRP A 37 -3.456 -7.397 1.819 1.00 0.00 H new ATOM 0 HA TRP A 37 -5.246 -5.507 3.274 1.00 0.00 H new ATOM 0 HB2 TRP A 37 -6.391 -5.050 1.232 1.00 0.00 H new ATOM 0 HB3 TRP A 37 -4.715 -4.550 1.126 1.00 0.00 H new ATOM 0 HD1 TRP A 37 -7.105 -7.206 -0.320 1.00 0.00 H new ATOM 0 HE1 TRP A 37 -6.092 -8.252 -2.466 1.00 0.00 H new ATOM 0 HE3 TRP A 37 -2.550 -5.008 0.015 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 -3.597 -8.110 -3.818 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 -0.884 -5.517 -1.758 1.00 0.00 H new ATOM 0 HH2 TRP A 37 -1.348 -7.006 -3.627 1.00 0.00 H new ATOM 532 N THR A 38 -7.197 -7.170 2.984 1.00 0.00 N ATOM 533 CA THR A 38 -8.155 -8.243 3.193 1.00 0.00 C ATOM 534 C THR A 38 -9.423 -7.991 2.373 1.00 0.00 C ATOM 535 O THR A 38 -10.203 -7.095 2.690 1.00 0.00 O ATOM 536 CB THR A 38 -8.416 -8.359 4.696 1.00 0.00 C ATOM 537 OG1 THR A 38 -7.120 -8.539 5.260 1.00 0.00 O ATOM 538 CG2 THR A 38 -9.164 -9.642 5.063 1.00 0.00 C ATOM 0 H THR A 38 -7.570 -6.231 3.125 1.00 0.00 H new ATOM 0 HA THR A 38 -7.763 -9.198 2.843 1.00 0.00 H new ATOM 0 HB THR A 38 -8.990 -7.496 5.033 1.00 0.00 H new ATOM 0 HG1 THR A 38 -7.196 -8.622 6.234 1.00 0.00 H new ATOM 0 HG21 THR A 38 -9.324 -9.675 6.141 1.00 0.00 H new ATOM 0 HG22 THR A 38 -10.127 -9.660 4.553 1.00 0.00 H new ATOM 0 HG23 THR A 38 -8.575 -10.507 4.757 1.00 0.00 H new ATOM 546 N PRO A 39 -9.592 -8.820 1.309 1.00 0.00 N ATOM 547 CA PRO A 39 -10.752 -8.697 0.442 1.00 0.00 C ATOM 548 C PRO A 39 -12.005 -9.254 1.120 1.00 0.00 C ATOM 549 O PRO A 39 -12.139 -10.466 1.286 1.00 0.00 O ATOM 550 CB PRO A 39 -10.378 -9.449 -0.825 1.00 0.00 C ATOM 551 CG PRO A 39 -9.217 -10.354 -0.445 1.00 0.00 C ATOM 552 CD PRO A 39 -8.689 -9.893 0.904 1.00 0.00 C ATOM 0 HA PRO A 39 -10.999 -7.660 0.215 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -11.221 -10.031 -1.197 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -10.092 -8.759 -1.619 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -9.544 -11.393 -0.392 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -8.432 -10.305 -1.199 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -8.691 -10.707 1.629 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -7.661 -9.538 0.827 1.00 0.00 H new ATOM 560 N GLY A 40 -12.892 -8.343 1.493 1.00 0.00 N ATOM 561 CA GLY A 40 -14.130 -8.729 2.149 1.00 0.00 C ATOM 562 C GLY A 40 -15.012 -9.557 1.213 1.00 0.00 C ATOM 563 O GLY A 40 -14.508 -10.357 0.426 1.00 0.00 O ATOM 0 H GLY A 40 -12.778 -7.339 1.354 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -13.906 -9.305 3.047 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -14.670 -7.837 2.469 1.00 0.00 H new ATOM 567 N ASP A 41 -16.313 -9.338 1.329 1.00 0.00 N ATOM 568 CA ASP A 41 -17.270 -10.054 0.503 1.00 0.00 C ATOM 569 C ASP A 41 -16.933 -9.829 -0.972 1.00 0.00 C ATOM 570 O ASP A 41 -16.290 -8.840 -1.321 1.00 0.00 O ATOM 571 CB ASP A 41 -18.694 -9.549 0.745 1.00 0.00 C ATOM 572 CG ASP A 41 -19.140 -9.550 2.209 1.00 0.00 C ATOM 573 OD1 ASP A 41 -19.481 -10.649 2.698 1.00 0.00 O ATOM 574 OD2 ASP A 41 -19.130 -8.452 2.806 1.00 0.00 O ATOM 0 H ASP A 41 -16.727 -8.674 1.983 1.00 0.00 H new ATOM 0 HA ASP A 41 -17.214 -11.111 0.762 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -18.774 -8.534 0.357 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -19.385 -10.166 0.170 1.00 0.00 H new ATOM 579 N ASP A 42 -17.382 -10.762 -1.798 1.00 0.00 N ATOM 580 CA ASP A 42 -17.136 -10.678 -3.227 1.00 0.00 C ATOM 581 C ASP A 42 -18.432 -10.289 -3.941 1.00 0.00 C ATOM 582 O ASP A 42 -18.407 -9.870 -5.097 1.00 0.00 O ATOM 583 CB ASP A 42 -16.674 -12.025 -3.787 1.00 0.00 C ATOM 584 CG ASP A 42 -15.766 -12.833 -2.858 1.00 0.00 C ATOM 585 OD1 ASP A 42 -14.919 -12.196 -2.196 1.00 0.00 O ATOM 586 OD2 ASP A 42 -15.939 -14.071 -2.832 1.00 0.00 O ATOM 0 H ASP A 42 -17.915 -11.581 -1.505 1.00 0.00 H new ATOM 0 HA ASP A 42 -16.358 -9.933 -3.392 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -17.553 -12.624 -4.023 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -16.146 -11.850 -4.725 1.00 0.00 H new ATOM 591 N ASN A 43 -19.535 -10.443 -3.223 1.00 0.00 N ATOM 592 CA ASN A 43 -20.839 -10.113 -3.774 1.00 0.00 C ATOM 593 C ASN A 43 -21.113 -11.001 -4.989 1.00 0.00 C ATOM 594 O ASN A 43 -21.170 -10.514 -6.118 1.00 0.00 O ATOM 595 CB ASN A 43 -20.890 -8.655 -4.232 1.00 0.00 C ATOM 596 CG ASN A 43 -20.829 -7.702 -3.036 1.00 0.00 C ATOM 597 OD1 ASN A 43 -21.566 -6.734 -2.942 1.00 0.00 O ATOM 598 ND2 ASN A 43 -19.911 -8.028 -2.131 1.00 0.00 N ATOM 0 H ASN A 43 -19.553 -10.792 -2.265 1.00 0.00 H new ATOM 0 HA ASN A 43 -21.585 -10.272 -2.995 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -20.057 -8.452 -4.906 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -21.806 -8.479 -4.796 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -19.791 -7.454 -1.296 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -19.327 -8.852 -2.271 1.00 0.00 H new ATOM 605 N ASN A 44 -21.276 -12.287 -4.718 1.00 0.00 N ATOM 606 CA ASN A 44 -21.544 -13.247 -5.776 1.00 0.00 C ATOM 607 C ASN A 44 -20.311 -13.365 -6.675 1.00 0.00 C ATOM 608 O ASN A 44 -19.721 -14.438 -6.788 1.00 0.00 O ATOM 609 CB ASN A 44 -22.721 -12.797 -6.643 1.00 0.00 C ATOM 610 CG ASN A 44 -24.025 -12.805 -5.844 1.00 0.00 C ATOM 611 OD1 ASN A 44 -24.509 -13.836 -5.407 1.00 0.00 O ATOM 612 ND2 ASN A 44 -24.566 -11.602 -5.679 1.00 0.00 N ATOM 0 H ASN A 44 -21.228 -12.687 -3.781 1.00 0.00 H new ATOM 0 HA ASN A 44 -21.784 -14.203 -5.311 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -22.532 -11.795 -7.027 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -22.815 -13.457 -7.506 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -25.438 -11.502 -5.160 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -24.109 -10.779 -6.071 1.00 0.00 H new ATOM 619 N SER A 45 -19.959 -12.246 -7.292 1.00 0.00 N ATOM 620 CA SER A 45 -18.808 -12.211 -8.177 1.00 0.00 C ATOM 621 C SER A 45 -17.516 -12.276 -7.360 1.00 0.00 C ATOM 622 O SER A 45 -17.235 -11.381 -6.564 1.00 0.00 O ATOM 623 CB SER A 45 -18.822 -10.953 -9.049 1.00 0.00 C ATOM 624 OG SER A 45 -19.378 -11.202 -10.337 1.00 0.00 O ATOM 0 H SER A 45 -20.451 -11.358 -7.196 1.00 0.00 H new ATOM 0 HA SER A 45 -18.857 -13.078 -8.836 1.00 0.00 H new ATOM 0 HB2 SER A 45 -19.397 -10.173 -8.551 1.00 0.00 H new ATOM 0 HB3 SER A 45 -17.805 -10.577 -9.160 1.00 0.00 H new ATOM 0 HG SER A 45 -20.348 -11.319 -10.258 1.00 0.00 H new ATOM 630 N PRO A 46 -16.745 -13.372 -7.590 1.00 0.00 N ATOM 631 CA PRO A 46 -15.490 -13.565 -6.884 1.00 0.00 C ATOM 632 C PRO A 46 -14.402 -12.642 -7.435 1.00 0.00 C ATOM 633 O PRO A 46 -14.342 -12.398 -8.640 1.00 0.00 O ATOM 634 CB PRO A 46 -15.163 -15.039 -7.060 1.00 0.00 C ATOM 635 CG PRO A 46 -15.996 -15.513 -8.239 1.00 0.00 C ATOM 636 CD PRO A 46 -17.046 -14.452 -8.525 1.00 0.00 C ATOM 0 HA PRO A 46 -15.559 -13.309 -5.827 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -14.099 -15.183 -7.250 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -15.405 -15.603 -6.159 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -15.365 -15.671 -9.113 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -16.470 -16.468 -8.012 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -16.991 -14.108 -9.558 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -18.053 -14.840 -8.371 1.00 0.00 H new ATOM 644 N ILE A 47 -13.570 -12.152 -6.528 1.00 0.00 N ATOM 645 CA ILE A 47 -12.488 -11.260 -6.909 1.00 0.00 C ATOM 646 C ILE A 47 -11.622 -11.941 -7.971 1.00 0.00 C ATOM 647 O ILE A 47 -11.406 -13.151 -7.919 1.00 0.00 O ATOM 648 CB ILE A 47 -11.705 -10.810 -5.674 1.00 0.00 C ATOM 649 CG1 ILE A 47 -11.796 -9.293 -5.490 1.00 0.00 C ATOM 650 CG2 ILE A 47 -10.255 -11.294 -5.737 1.00 0.00 C ATOM 651 CD1 ILE A 47 -11.228 -8.559 -6.706 1.00 0.00 C ATOM 0 H ILE A 47 -13.623 -12.356 -5.530 1.00 0.00 H new ATOM 0 HA ILE A 47 -12.885 -10.349 -7.356 1.00 0.00 H new ATOM 0 HB ILE A 47 -12.159 -11.269 -4.796 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -12.836 -9.003 -5.339 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -11.249 -8.998 -4.594 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -9.721 -10.960 -4.847 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -10.237 -12.383 -5.784 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -9.773 -10.884 -6.624 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -11.305 -7.483 -6.550 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -10.181 -8.833 -6.840 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -11.793 -8.838 -7.596 1.00 0.00 H new ATOM 663 N THR A 48 -11.149 -11.133 -8.909 1.00 0.00 N ATOM 664 CA THR A 48 -10.311 -11.642 -9.982 1.00 0.00 C ATOM 665 C THR A 48 -8.981 -10.888 -10.022 1.00 0.00 C ATOM 666 O THR A 48 -7.950 -11.460 -10.373 1.00 0.00 O ATOM 667 CB THR A 48 -11.104 -11.547 -11.287 1.00 0.00 C ATOM 668 OG1 THR A 48 -11.549 -10.194 -11.324 1.00 0.00 O ATOM 669 CG2 THR A 48 -12.397 -12.363 -11.247 1.00 0.00 C ATOM 0 H THR A 48 -11.330 -10.130 -8.948 1.00 0.00 H new ATOM 0 HA THR A 48 -10.051 -12.688 -9.819 1.00 0.00 H new ATOM 0 HB THR A 48 -10.484 -11.890 -12.115 1.00 0.00 H new ATOM 0 HG1 THR A 48 -11.271 -9.736 -10.504 1.00 0.00 H new ATOM 0 HG21 THR A 48 -12.921 -12.261 -12.197 1.00 0.00 H new ATOM 0 HG22 THR A 48 -12.160 -13.413 -11.074 1.00 0.00 H new ATOM 0 HG23 THR A 48 -13.033 -11.998 -10.441 1.00 0.00 H new ATOM 677 N LYS A 49 -9.046 -9.616 -9.659 1.00 0.00 N ATOM 678 CA LYS A 49 -7.860 -8.778 -9.650 1.00 0.00 C ATOM 679 C LYS A 49 -7.926 -7.820 -8.459 1.00 0.00 C ATOM 680 O LYS A 49 -8.997 -7.596 -7.897 1.00 0.00 O ATOM 681 CB LYS A 49 -7.691 -8.073 -10.997 1.00 0.00 C ATOM 682 CG LYS A 49 -7.168 -6.647 -10.809 1.00 0.00 C ATOM 683 CD LYS A 49 -7.048 -5.925 -12.152 1.00 0.00 C ATOM 684 CE LYS A 49 -8.415 -5.790 -12.826 1.00 0.00 C ATOM 685 NZ LYS A 49 -8.411 -6.459 -14.146 1.00 0.00 N ATOM 0 H LYS A 49 -9.903 -9.145 -9.369 1.00 0.00 H new ATOM 0 HA LYS A 49 -6.965 -9.387 -9.521 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -7.000 -8.638 -11.623 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -8.647 -8.047 -11.520 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -7.840 -6.093 -10.153 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -6.195 -6.675 -10.319 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -6.614 -4.937 -12.000 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -6.369 -6.474 -12.805 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -9.185 -6.229 -12.192 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -8.665 -4.736 -12.947 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -9.346 -6.358 -14.589 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -7.690 -6.022 -14.755 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -8.194 -7.469 -14.023 1.00 0.00 H new ATOM 699 N PHE A 50 -6.768 -7.280 -8.109 1.00 0.00 N ATOM 700 CA PHE A 50 -6.681 -6.351 -6.995 1.00 0.00 C ATOM 701 C PHE A 50 -5.780 -5.164 -7.340 1.00 0.00 C ATOM 702 O PHE A 50 -4.558 -5.298 -7.381 1.00 0.00 O ATOM 703 CB PHE A 50 -6.068 -7.117 -5.821 1.00 0.00 C ATOM 704 CG PHE A 50 -7.076 -7.952 -5.028 1.00 0.00 C ATOM 705 CD1 PHE A 50 -8.228 -7.383 -4.581 1.00 0.00 C ATOM 706 CD2 PHE A 50 -6.820 -9.262 -4.770 1.00 0.00 C ATOM 707 CE1 PHE A 50 -9.163 -8.158 -3.845 1.00 0.00 C ATOM 708 CE2 PHE A 50 -7.755 -10.037 -4.034 1.00 0.00 C ATOM 709 CZ PHE A 50 -8.907 -9.468 -3.587 1.00 0.00 C ATOM 0 H PHE A 50 -5.882 -7.468 -8.577 1.00 0.00 H new ATOM 0 HA PHE A 50 -7.671 -5.963 -6.756 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -5.285 -7.774 -6.199 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -5.590 -6.406 -5.147 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -8.431 -6.342 -4.786 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -5.905 -9.713 -5.125 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -10.078 -7.707 -3.490 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -7.552 -11.078 -3.829 1.00 0.00 H new ATOM 0 HZ PHE A 50 -9.618 -10.057 -3.027 1.00 0.00 H new ATOM 719 N ILE A 51 -6.418 -4.028 -7.579 1.00 0.00 N ATOM 720 CA ILE A 51 -5.690 -2.817 -7.919 1.00 0.00 C ATOM 721 C ILE A 51 -5.328 -2.068 -6.636 1.00 0.00 C ATOM 722 O ILE A 51 -6.028 -2.176 -5.630 1.00 0.00 O ATOM 723 CB ILE A 51 -6.486 -1.976 -8.919 1.00 0.00 C ATOM 724 CG1 ILE A 51 -6.701 -2.738 -10.229 1.00 0.00 C ATOM 725 CG2 ILE A 51 -5.818 -0.619 -9.148 1.00 0.00 C ATOM 726 CD1 ILE A 51 -8.192 -2.925 -10.516 1.00 0.00 C ATOM 0 H ILE A 51 -7.432 -3.920 -7.544 1.00 0.00 H new ATOM 0 HA ILE A 51 -4.754 -3.063 -8.420 1.00 0.00 H new ATOM 0 HB ILE A 51 -7.471 -1.782 -8.494 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -6.234 -2.195 -11.051 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -6.213 -3.711 -10.172 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -6.404 -0.041 -9.863 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -5.761 -0.078 -8.204 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -4.813 -0.770 -9.541 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -8.317 -3.469 -11.452 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -8.651 -3.489 -9.704 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -8.672 -1.950 -10.596 1.00 0.00 H new ATOM 738 N ILE A 52 -4.234 -1.324 -6.712 1.00 0.00 N ATOM 739 CA ILE A 52 -3.770 -0.556 -5.569 1.00 0.00 C ATOM 740 C ILE A 52 -3.496 0.885 -6.004 1.00 0.00 C ATOM 741 O ILE A 52 -3.252 1.145 -7.181 1.00 0.00 O ATOM 742 CB ILE A 52 -2.567 -1.241 -4.917 1.00 0.00 C ATOM 743 CG1 ILE A 52 -2.984 -2.541 -4.225 1.00 0.00 C ATOM 744 CG2 ILE A 52 -1.846 -0.288 -3.960 1.00 0.00 C ATOM 745 CD1 ILE A 52 -2.226 -3.737 -4.805 1.00 0.00 C ATOM 0 H ILE A 52 -3.656 -1.237 -7.548 1.00 0.00 H new ATOM 0 HA ILE A 52 -4.541 -0.515 -4.799 1.00 0.00 H new ATOM 0 HB ILE A 52 -1.859 -1.507 -5.702 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -2.790 -2.466 -3.155 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -4.057 -2.693 -4.344 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -0.995 -0.799 -3.510 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -1.495 0.584 -4.511 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -2.534 0.030 -3.177 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -2.540 -4.648 -4.296 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -2.442 -3.823 -5.870 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -1.155 -3.593 -4.662 1.00 0.00 H new ATOM 757 N GLU A 53 -3.546 1.783 -5.031 1.00 0.00 N ATOM 758 CA GLU A 53 -3.307 3.190 -5.299 1.00 0.00 C ATOM 759 C GLU A 53 -2.765 3.884 -4.048 1.00 0.00 C ATOM 760 O GLU A 53 -2.929 3.385 -2.936 1.00 0.00 O ATOM 761 CB GLU A 53 -4.579 3.877 -5.800 1.00 0.00 C ATOM 762 CG GLU A 53 -4.981 3.350 -7.179 1.00 0.00 C ATOM 763 CD GLU A 53 -6.107 4.193 -7.781 1.00 0.00 C ATOM 764 OE1 GLU A 53 -6.263 5.344 -7.319 1.00 0.00 O ATOM 765 OE2 GLU A 53 -6.786 3.668 -8.689 1.00 0.00 O ATOM 0 H GLU A 53 -3.749 1.563 -4.056 1.00 0.00 H new ATOM 0 HA GLU A 53 -2.558 3.267 -6.087 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -5.390 3.709 -5.092 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -4.419 4.954 -5.851 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -4.117 3.363 -7.843 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -5.303 2.312 -7.096 1.00 0.00 H new ATOM 772 N TYR A 54 -2.129 5.025 -4.272 1.00 0.00 N ATOM 773 CA TYR A 54 -1.562 5.793 -3.176 1.00 0.00 C ATOM 774 C TYR A 54 -1.598 7.292 -3.480 1.00 0.00 C ATOM 775 O TYR A 54 -1.682 7.692 -4.641 1.00 0.00 O ATOM 776 CB TYR A 54 -0.104 5.344 -3.057 1.00 0.00 C ATOM 777 CG TYR A 54 0.840 6.024 -4.052 1.00 0.00 C ATOM 778 CD1 TYR A 54 1.042 5.471 -5.300 1.00 0.00 C ATOM 779 CD2 TYR A 54 1.489 7.190 -3.701 1.00 0.00 C ATOM 780 CE1 TYR A 54 1.929 6.110 -6.236 1.00 0.00 C ATOM 781 CE2 TYR A 54 2.377 7.830 -4.637 1.00 0.00 C ATOM 782 CZ TYR A 54 2.553 7.258 -5.858 1.00 0.00 C ATOM 783 OH TYR A 54 3.392 7.862 -6.742 1.00 0.00 O ATOM 0 H TYR A 54 -1.994 5.436 -5.196 1.00 0.00 H new ATOM 0 HA TYR A 54 -2.127 5.627 -2.259 1.00 0.00 H new ATOM 0 HB2 TYR A 54 0.246 5.545 -2.044 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -0.054 4.265 -3.203 1.00 0.00 H new ATOM 0 HD1 TYR A 54 0.534 4.558 -5.574 1.00 0.00 H new ATOM 0 HD2 TYR A 54 1.331 7.623 -2.724 1.00 0.00 H new ATOM 0 HE1 TYR A 54 2.095 5.688 -7.216 1.00 0.00 H new ATOM 0 HE2 TYR A 54 2.891 8.743 -4.375 1.00 0.00 H new ATOM 0 HH TYR A 54 3.766 8.672 -6.337 1.00 0.00 H new ATOM 793 N GLU A 55 -1.533 8.081 -2.418 1.00 0.00 N ATOM 794 CA GLU A 55 -1.558 9.527 -2.557 1.00 0.00 C ATOM 795 C GLU A 55 -0.439 10.159 -1.726 1.00 0.00 C ATOM 796 O GLU A 55 -0.038 9.612 -0.700 1.00 0.00 O ATOM 797 CB GLU A 55 -2.923 10.093 -2.159 1.00 0.00 C ATOM 798 CG GLU A 55 -3.286 9.693 -0.728 1.00 0.00 C ATOM 799 CD GLU A 55 -3.463 10.927 0.159 1.00 0.00 C ATOM 800 OE1 GLU A 55 -2.442 11.610 0.390 1.00 0.00 O ATOM 801 OE2 GLU A 55 -4.614 11.160 0.585 1.00 0.00 O ATOM 0 H GLU A 55 -1.463 7.746 -1.457 1.00 0.00 H new ATOM 0 HA GLU A 55 -1.391 9.775 -3.605 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -2.909 11.180 -2.244 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -3.686 9.729 -2.847 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -4.206 9.109 -0.732 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -2.505 9.054 -0.316 1.00 0.00 H new ATOM 808 N ASP A 56 0.033 11.302 -2.201 1.00 0.00 N ATOM 809 CA ASP A 56 1.098 12.014 -1.515 1.00 0.00 C ATOM 810 C ASP A 56 0.492 13.130 -0.661 1.00 0.00 C ATOM 811 O ASP A 56 0.042 14.146 -1.189 1.00 0.00 O ATOM 812 CB ASP A 56 2.064 12.655 -2.513 1.00 0.00 C ATOM 813 CG ASP A 56 3.222 13.433 -1.884 1.00 0.00 C ATOM 814 OD1 ASP A 56 3.155 13.656 -0.656 1.00 0.00 O ATOM 815 OD2 ASP A 56 4.147 13.787 -2.645 1.00 0.00 O ATOM 0 H ASP A 56 -0.302 11.753 -3.052 1.00 0.00 H new ATOM 0 HA ASP A 56 1.640 11.297 -0.898 1.00 0.00 H new ATOM 0 HB2 ASP A 56 2.476 11.873 -3.151 1.00 0.00 H new ATOM 0 HB3 ASP A 56 1.501 13.329 -3.158 1.00 0.00 H new ATOM 820 N ALA A 57 0.499 12.903 0.644 1.00 0.00 N ATOM 821 CA ALA A 57 -0.045 13.877 1.576 1.00 0.00 C ATOM 822 C ALA A 57 1.025 14.922 1.896 1.00 0.00 C ATOM 823 O ALA A 57 0.736 15.938 2.527 1.00 0.00 O ATOM 824 CB ALA A 57 -0.551 13.158 2.828 1.00 0.00 C ATOM 0 H ALA A 57 0.873 12.059 1.078 1.00 0.00 H new ATOM 0 HA ALA A 57 -0.894 14.399 1.134 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -0.959 13.888 3.527 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -1.329 12.448 2.550 1.00 0.00 H new ATOM 0 HB3 ALA A 57 0.274 12.625 3.300 1.00 0.00 H new ATOM 830 N MET A 58 2.239 14.637 1.448 1.00 0.00 N ATOM 831 CA MET A 58 3.354 15.540 1.679 1.00 0.00 C ATOM 832 C MET A 58 3.450 16.588 0.569 1.00 0.00 C ATOM 833 O MET A 58 4.252 17.516 0.654 1.00 0.00 O ATOM 834 CB MET A 58 4.656 14.739 1.740 1.00 0.00 C ATOM 835 CG MET A 58 5.825 15.625 2.174 1.00 0.00 C ATOM 836 SD MET A 58 7.309 14.645 2.328 1.00 0.00 S ATOM 837 CE MET A 58 7.594 14.789 4.085 1.00 0.00 C ATOM 0 H MET A 58 2.475 13.793 0.926 1.00 0.00 H new ATOM 0 HA MET A 58 3.190 16.055 2.625 1.00 0.00 H new ATOM 0 HB2 MET A 58 4.545 13.910 2.439 1.00 0.00 H new ATOM 0 HB3 MET A 58 4.867 14.306 0.762 1.00 0.00 H new ATOM 0 HG2 MET A 58 5.979 16.421 1.445 1.00 0.00 H new ATOM 0 HG3 MET A 58 5.595 16.104 3.126 1.00 0.00 H new ATOM 0 HE1 MET A 58 8.491 14.231 4.355 1.00 0.00 H new ATOM 0 HE2 MET A 58 7.727 15.839 4.347 1.00 0.00 H new ATOM 0 HE3 MET A 58 6.739 14.385 4.627 1.00 0.00 H new ATOM 847 N HIS A 59 2.621 16.404 -0.448 1.00 0.00 N ATOM 848 CA HIS A 59 2.602 17.322 -1.575 1.00 0.00 C ATOM 849 C HIS A 59 1.157 17.562 -2.017 1.00 0.00 C ATOM 850 O HIS A 59 0.572 18.597 -1.704 1.00 0.00 O ATOM 851 CB HIS A 59 3.492 16.809 -2.708 1.00 0.00 C ATOM 852 CG HIS A 59 4.964 16.785 -2.371 1.00 0.00 C ATOM 853 ND1 HIS A 59 5.583 15.691 -1.792 1.00 0.00 N ATOM 854 CD2 HIS A 59 5.932 17.731 -2.538 1.00 0.00 C ATOM 855 CE1 HIS A 59 6.865 15.977 -1.622 1.00 0.00 C ATOM 856 NE2 HIS A 59 7.079 17.242 -2.084 1.00 0.00 N ATOM 0 H HIS A 59 1.957 15.633 -0.515 1.00 0.00 H new ATOM 0 HA HIS A 59 3.017 18.284 -1.273 1.00 0.00 H new ATOM 0 HB2 HIS A 59 3.175 15.801 -2.977 1.00 0.00 H new ATOM 0 HB3 HIS A 59 3.341 17.436 -3.587 1.00 0.00 H new ATOM 0 HD1 HIS A 59 5.129 14.813 -1.539 1.00 0.00 H new ATOM 0 HD2 HIS A 59 5.789 18.712 -2.967 1.00 0.00 H new ATOM 0 HE1 HIS A 59 7.610 15.323 -1.193 1.00 0.00 H new ATOM 864 N LYS A 60 0.624 16.587 -2.739 1.00 0.00 N ATOM 865 CA LYS A 60 -0.742 16.679 -3.228 1.00 0.00 C ATOM 866 C LYS A 60 -1.593 15.598 -2.558 1.00 0.00 C ATOM 867 O LYS A 60 -1.655 14.467 -3.036 1.00 0.00 O ATOM 868 CB LYS A 60 -0.768 16.623 -4.756 1.00 0.00 C ATOM 869 CG LYS A 60 0.177 17.665 -5.359 1.00 0.00 C ATOM 870 CD LYS A 60 -0.489 18.399 -6.525 1.00 0.00 C ATOM 871 CE LYS A 60 -0.149 17.732 -7.859 1.00 0.00 C ATOM 872 NZ LYS A 60 -0.930 18.343 -8.958 1.00 0.00 N ATOM 0 H LYS A 60 1.113 15.730 -2.997 1.00 0.00 H new ATOM 0 HA LYS A 60 -1.179 17.641 -2.960 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -0.479 15.627 -5.092 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -1.783 16.798 -5.113 1.00 0.00 H new ATOM 0 HG2 LYS A 60 0.470 18.383 -4.592 1.00 0.00 H new ATOM 0 HG3 LYS A 60 1.089 17.178 -5.704 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -1.570 18.408 -6.384 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -0.161 19.438 -6.540 1.00 0.00 H new ATOM 0 HE2 LYS A 60 0.917 17.834 -8.062 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -0.362 16.664 -7.803 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -0.687 17.879 -9.856 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -1.946 18.224 -8.770 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -0.706 19.357 -9.021 1.00 0.00 H new ATOM 886 N PRO A 61 -2.244 15.995 -1.432 1.00 0.00 N ATOM 887 CA PRO A 61 -3.089 15.074 -0.692 1.00 0.00 C ATOM 888 C PRO A 61 -4.415 14.841 -1.419 1.00 0.00 C ATOM 889 O PRO A 61 -5.013 15.780 -1.942 1.00 0.00 O ATOM 890 CB PRO A 61 -3.265 15.713 0.676 1.00 0.00 C ATOM 891 CG PRO A 61 -2.904 17.179 0.500 1.00 0.00 C ATOM 892 CD PRO A 61 -2.194 17.327 -0.836 1.00 0.00 C ATOM 0 HA PRO A 61 -2.648 14.081 -0.599 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -4.290 15.603 1.030 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -2.620 15.238 1.415 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -3.800 17.799 0.527 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -2.260 17.514 1.313 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -2.690 18.063 -1.469 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -1.166 17.663 -0.703 1.00 0.00 H new ATOM 900 N GLY A 62 -4.835 13.584 -1.428 1.00 0.00 N ATOM 901 CA GLY A 62 -6.079 13.216 -2.082 1.00 0.00 C ATOM 902 C GLY A 62 -5.818 12.652 -3.481 1.00 0.00 C ATOM 903 O GLY A 62 -6.585 11.828 -3.975 1.00 0.00 O ATOM 0 H GLY A 62 -4.336 12.808 -0.993 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -6.605 12.475 -1.480 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -6.728 14.089 -2.153 1.00 0.00 H new ATOM 907 N LEU A 63 -4.732 13.120 -4.079 1.00 0.00 N ATOM 908 CA LEU A 63 -4.360 12.672 -5.410 1.00 0.00 C ATOM 909 C LEU A 63 -3.853 11.231 -5.336 1.00 0.00 C ATOM 910 O LEU A 63 -2.811 10.965 -4.738 1.00 0.00 O ATOM 911 CB LEU A 63 -3.361 13.644 -6.042 1.00 0.00 C ATOM 912 CG LEU A 63 -3.831 14.359 -7.310 1.00 0.00 C ATOM 913 CD1 LEU A 63 -3.670 15.875 -7.177 1.00 0.00 C ATOM 914 CD2 LEU A 63 -3.113 13.813 -8.546 1.00 0.00 C ATOM 0 H LEU A 63 -4.098 13.804 -3.666 1.00 0.00 H new ATOM 0 HA LEU A 63 -5.229 12.670 -6.068 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -3.099 14.398 -5.300 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -2.448 13.095 -6.275 1.00 0.00 H new ATOM 0 HG LEU A 63 -4.894 14.158 -7.440 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -4.011 16.359 -8.092 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -4.263 16.231 -6.335 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -2.620 16.116 -7.009 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -3.466 14.338 -9.433 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -2.039 13.963 -8.439 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -3.322 12.748 -8.648 1.00 0.00 H new ATOM 926 N TRP A 64 -4.613 10.338 -5.952 1.00 0.00 N ATOM 927 CA TRP A 64 -4.254 8.930 -5.963 1.00 0.00 C ATOM 928 C TRP A 64 -3.667 8.603 -7.338 1.00 0.00 C ATOM 929 O TRP A 64 -4.114 9.138 -8.351 1.00 0.00 O ATOM 930 CB TRP A 64 -5.456 8.054 -5.603 1.00 0.00 C ATOM 931 CG TRP A 64 -6.062 8.364 -4.233 1.00 0.00 C ATOM 932 CD1 TRP A 64 -7.071 9.199 -3.947 1.00 0.00 C ATOM 933 CD2 TRP A 64 -5.656 7.804 -2.966 1.00 0.00 C ATOM 934 NE1 TRP A 64 -7.343 9.218 -2.594 1.00 0.00 N ATOM 935 CE2 TRP A 64 -6.455 8.343 -1.979 1.00 0.00 C ATOM 936 CE3 TRP A 64 -4.647 6.872 -2.665 1.00 0.00 C ATOM 937 CZ2 TRP A 64 -6.328 8.012 -0.624 1.00 0.00 C ATOM 938 CZ3 TRP A 64 -4.532 6.553 -1.307 1.00 0.00 C ATOM 939 CH2 TRP A 64 -5.329 7.087 -0.301 1.00 0.00 C ATOM 0 H TRP A 64 -5.476 10.562 -6.447 1.00 0.00 H new ATOM 0 HA TRP A 64 -3.502 8.718 -5.203 1.00 0.00 H new ATOM 0 HB2 TRP A 64 -6.225 8.178 -6.366 1.00 0.00 H new ATOM 0 HB3 TRP A 64 -5.150 7.008 -5.626 1.00 0.00 H new ATOM 0 HD1 TRP A 64 -7.604 9.783 -4.683 1.00 0.00 H new ATOM 0 HE1 TRP A 64 -8.063 9.772 -2.131 1.00 0.00 H new ATOM 0 HE3 TRP A 64 -4.011 6.437 -3.422 1.00 0.00 H new ATOM 0 HZ2 TRP A 64 -6.966 8.447 0.131 1.00 0.00 H new ATOM 0 HZ3 TRP A 64 -3.771 5.842 -1.021 1.00 0.00 H new ATOM 0 HH2 TRP A 64 -5.178 6.789 0.726 1.00 0.00 H new ATOM 950 N HIS A 65 -2.674 7.725 -7.328 1.00 0.00 N ATOM 951 CA HIS A 65 -2.021 7.321 -8.561 1.00 0.00 C ATOM 952 C HIS A 65 -2.050 5.796 -8.681 1.00 0.00 C ATOM 953 O HIS A 65 -2.056 5.090 -7.674 1.00 0.00 O ATOM 954 CB HIS A 65 -0.604 7.894 -8.640 1.00 0.00 C ATOM 955 CG HIS A 65 -0.518 9.365 -8.307 1.00 0.00 C ATOM 956 ND1 HIS A 65 -0.814 10.359 -9.223 1.00 0.00 N ATOM 957 CD2 HIS A 65 -0.167 9.998 -7.151 1.00 0.00 C ATOM 958 CE1 HIS A 65 -0.645 11.534 -8.634 1.00 0.00 C ATOM 959 NE2 HIS A 65 -0.243 11.308 -7.350 1.00 0.00 N ATOM 0 H HIS A 65 -2.306 7.283 -6.486 1.00 0.00 H new ATOM 0 HA HIS A 65 -2.564 7.729 -9.414 1.00 0.00 H new ATOM 0 HB2 HIS A 65 0.040 7.339 -7.958 1.00 0.00 H new ATOM 0 HB3 HIS A 65 -0.214 7.736 -9.646 1.00 0.00 H new ATOM 0 HD2 HIS A 65 0.124 9.515 -6.230 1.00 0.00 H new ATOM 0 HE1 HIS A 65 -0.799 12.501 -9.090 1.00 0.00 H new ATOM 0 HE2 HIS A 65 -0.035 12.027 -6.657 1.00 0.00 H new ATOM 967 N HIS A 66 -2.067 5.332 -9.922 1.00 0.00 N ATOM 968 CA HIS A 66 -2.096 3.903 -10.187 1.00 0.00 C ATOM 969 C HIS A 66 -0.765 3.277 -9.766 1.00 0.00 C ATOM 970 O HIS A 66 0.241 3.422 -10.460 1.00 0.00 O ATOM 971 CB HIS A 66 -2.443 3.629 -11.651 1.00 0.00 C ATOM 972 CG HIS A 66 -3.176 2.328 -11.875 1.00 0.00 C ATOM 973 ND1 HIS A 66 -2.759 1.129 -11.324 1.00 0.00 N ATOM 974 CD2 HIS A 66 -4.301 2.050 -12.594 1.00 0.00 C ATOM 975 CE1 HIS A 66 -3.603 0.179 -11.701 1.00 0.00 C ATOM 976 NE2 HIS A 66 -4.557 0.752 -12.489 1.00 0.00 N ATOM 0 H HIS A 66 -2.061 5.920 -10.755 1.00 0.00 H new ATOM 0 HA HIS A 66 -2.882 3.435 -9.594 1.00 0.00 H new ATOM 0 HB2 HIS A 66 -3.055 4.448 -12.028 1.00 0.00 H new ATOM 0 HB3 HIS A 66 -1.524 3.622 -12.236 1.00 0.00 H new ATOM 0 HD2 HIS A 66 -4.885 2.765 -13.154 1.00 0.00 H new ATOM 0 HE1 HIS A 66 -3.545 -0.865 -11.431 1.00 0.00 H new ATOM 0 HE2 HIS A 66 -5.339 0.263 -12.926 1.00 0.00 H new ATOM 984 N GLN A 67 -0.801 2.594 -8.632 1.00 0.00 N ATOM 985 CA GLN A 67 0.389 1.945 -8.110 1.00 0.00 C ATOM 986 C GLN A 67 0.657 0.641 -8.865 1.00 0.00 C ATOM 987 O GLN A 67 1.554 0.577 -9.703 1.00 0.00 O ATOM 988 CB GLN A 67 0.262 1.692 -6.607 1.00 0.00 C ATOM 989 CG GLN A 67 1.499 0.973 -6.065 1.00 0.00 C ATOM 990 CD GLN A 67 2.285 1.875 -5.112 1.00 0.00 C ATOM 991 OE1 GLN A 67 1.786 2.864 -4.599 1.00 0.00 O ATOM 992 NE2 GLN A 67 3.538 1.482 -4.904 1.00 0.00 N ATOM 0 H GLN A 67 -1.637 2.476 -8.059 1.00 0.00 H new ATOM 0 HA GLN A 67 1.238 2.611 -8.262 1.00 0.00 H new ATOM 0 HB2 GLN A 67 0.130 2.640 -6.085 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -0.627 1.093 -6.409 1.00 0.00 H new ATOM 0 HG2 GLN A 67 1.197 0.064 -5.545 1.00 0.00 H new ATOM 0 HG3 GLN A 67 2.139 0.668 -6.893 1.00 0.00 H new ATOM 0 HE21 GLN A 67 3.893 0.644 -5.365 1.00 0.00 H new ATOM 0 HE22 GLN A 67 4.144 2.018 -4.283 1.00 0.00 H new ATOM 1001 N THR A 68 -0.139 -0.368 -8.540 1.00 0.00 N ATOM 1002 CA THR A 68 0.000 -1.666 -9.176 1.00 0.00 C ATOM 1003 C THR A 68 -1.152 -2.587 -8.768 1.00 0.00 C ATOM 1004 O THR A 68 -1.759 -2.398 -7.715 1.00 0.00 O ATOM 1005 CB THR A 68 1.379 -2.223 -8.817 1.00 0.00 C ATOM 1006 OG1 THR A 68 1.513 -3.376 -9.643 1.00 0.00 O ATOM 1007 CG2 THR A 68 1.434 -2.777 -7.392 1.00 0.00 C ATOM 0 H THR A 68 -0.883 -0.312 -7.844 1.00 0.00 H new ATOM 0 HA THR A 68 -0.061 -1.583 -10.261 1.00 0.00 H new ATOM 0 HB THR A 68 2.128 -1.439 -8.931 1.00 0.00 H new ATOM 0 HG1 THR A 68 2.381 -3.799 -9.476 1.00 0.00 H new ATOM 0 HG21 THR A 68 2.434 -3.160 -7.189 1.00 0.00 H new ATOM 0 HG22 THR A 68 1.198 -1.983 -6.684 1.00 0.00 H new ATOM 0 HG23 THR A 68 0.709 -3.584 -7.287 1.00 0.00 H new ATOM 1015 N GLU A 69 -1.419 -3.563 -9.623 1.00 0.00 N ATOM 1016 CA GLU A 69 -2.488 -4.513 -9.365 1.00 0.00 C ATOM 1017 C GLU A 69 -1.933 -5.938 -9.329 1.00 0.00 C ATOM 1018 O GLU A 69 -0.787 -6.172 -9.710 1.00 0.00 O ATOM 1019 CB GLU A 69 -3.600 -4.384 -10.407 1.00 0.00 C ATOM 1020 CG GLU A 69 -3.032 -4.451 -11.826 1.00 0.00 C ATOM 1021 CD GLU A 69 -2.370 -5.805 -12.089 1.00 0.00 C ATOM 1022 OE1 GLU A 69 -2.912 -6.810 -11.580 1.00 0.00 O ATOM 1023 OE2 GLU A 69 -1.337 -5.804 -12.792 1.00 0.00 O ATOM 0 H GLU A 69 -0.913 -3.717 -10.495 1.00 0.00 H new ATOM 0 HA GLU A 69 -2.921 -4.287 -8.391 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -4.330 -5.181 -10.266 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -4.127 -3.440 -10.267 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -3.831 -4.286 -12.549 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -2.304 -3.653 -11.968 1.00 0.00 H new ATOM 1030 N VAL A 70 -2.772 -6.854 -8.866 1.00 0.00 N ATOM 1031 CA VAL A 70 -2.379 -8.250 -8.775 1.00 0.00 C ATOM 1032 C VAL A 70 -3.596 -9.136 -9.052 1.00 0.00 C ATOM 1033 O VAL A 70 -4.672 -8.636 -9.376 1.00 0.00 O ATOM 1034 CB VAL A 70 -1.737 -8.525 -7.413 1.00 0.00 C ATOM 1035 CG1 VAL A 70 -0.211 -8.555 -7.523 1.00 0.00 C ATOM 1036 CG2 VAL A 70 -2.193 -7.498 -6.375 1.00 0.00 C ATOM 0 H VAL A 70 -3.722 -6.656 -8.550 1.00 0.00 H new ATOM 0 HA VAL A 70 -1.627 -8.485 -9.528 1.00 0.00 H new ATOM 0 HB VAL A 70 -2.068 -9.508 -7.078 1.00 0.00 H new ATOM 0 HG11 VAL A 70 0.221 -8.752 -6.542 1.00 0.00 H new ATOM 0 HG12 VAL A 70 0.088 -9.341 -8.216 1.00 0.00 H new ATOM 0 HG13 VAL A 70 0.146 -7.593 -7.890 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -1.722 -7.716 -5.416 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -1.906 -6.499 -6.701 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -3.277 -7.547 -6.267 1.00 0.00 H new ATOM 1046 N SER A 71 -3.384 -10.437 -8.914 1.00 0.00 N ATOM 1047 CA SER A 71 -4.450 -11.397 -9.146 1.00 0.00 C ATOM 1048 C SER A 71 -5.492 -11.302 -8.030 1.00 0.00 C ATOM 1049 O SER A 71 -5.271 -10.626 -7.026 1.00 0.00 O ATOM 1050 CB SER A 71 -3.898 -12.821 -9.237 1.00 0.00 C ATOM 1051 OG SER A 71 -4.269 -13.461 -10.455 1.00 0.00 O ATOM 0 H SER A 71 -2.490 -10.848 -8.645 1.00 0.00 H new ATOM 0 HA SER A 71 -4.924 -11.158 -10.098 1.00 0.00 H new ATOM 0 HB2 SER A 71 -2.811 -12.794 -9.158 1.00 0.00 H new ATOM 0 HB3 SER A 71 -4.264 -13.406 -8.394 1.00 0.00 H new ATOM 0 HG SER A 71 -3.896 -14.367 -10.475 1.00 0.00 H new ATOM 1057 N GLY A 72 -6.605 -11.987 -8.243 1.00 0.00 N ATOM 1058 CA GLY A 72 -7.682 -11.989 -7.268 1.00 0.00 C ATOM 1059 C GLY A 72 -7.529 -13.151 -6.284 1.00 0.00 C ATOM 1060 O GLY A 72 -8.518 -13.649 -5.749 1.00 0.00 O ATOM 0 H GLY A 72 -6.785 -12.545 -9.078 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -7.686 -11.045 -6.723 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -8.641 -12.066 -7.780 1.00 0.00 H new ATOM 1064 N THR A 73 -6.283 -13.549 -6.077 1.00 0.00 N ATOM 1065 CA THR A 73 -5.988 -14.643 -5.167 1.00 0.00 C ATOM 1066 C THR A 73 -5.000 -14.191 -4.091 1.00 0.00 C ATOM 1067 O THR A 73 -5.168 -14.511 -2.915 1.00 0.00 O ATOM 1068 CB THR A 73 -5.483 -15.825 -5.997 1.00 0.00 C ATOM 1069 OG1 THR A 73 -6.620 -16.676 -6.117 1.00 0.00 O ATOM 1070 CG2 THR A 73 -4.459 -16.675 -5.243 1.00 0.00 C ATOM 0 H THR A 73 -5.466 -13.134 -6.524 1.00 0.00 H new ATOM 0 HA THR A 73 -6.881 -14.962 -4.630 1.00 0.00 H new ATOM 0 HB THR A 73 -5.038 -15.456 -6.921 1.00 0.00 H new ATOM 0 HG1 THR A 73 -6.382 -17.468 -6.643 1.00 0.00 H new ATOM 0 HG21 THR A 73 -4.133 -17.500 -5.877 1.00 0.00 H new ATOM 0 HG22 THR A 73 -3.599 -16.059 -4.978 1.00 0.00 H new ATOM 0 HG23 THR A 73 -4.914 -17.072 -4.336 1.00 0.00 H new ATOM 1078 N GLN A 74 -3.991 -13.453 -4.531 1.00 0.00 N ATOM 1079 CA GLN A 74 -2.976 -12.953 -3.620 1.00 0.00 C ATOM 1080 C GLN A 74 -3.513 -11.756 -2.832 1.00 0.00 C ATOM 1081 O GLN A 74 -4.462 -11.102 -3.261 1.00 0.00 O ATOM 1082 CB GLN A 74 -1.697 -12.585 -4.373 1.00 0.00 C ATOM 1083 CG GLN A 74 -1.789 -11.172 -4.954 1.00 0.00 C ATOM 1084 CD GLN A 74 -0.422 -10.690 -5.443 1.00 0.00 C ATOM 1085 OE1 GLN A 74 0.260 -11.350 -6.209 1.00 0.00 O ATOM 1086 NE2 GLN A 74 -0.062 -9.505 -4.958 1.00 0.00 N ATOM 0 H GLN A 74 -3.855 -13.189 -5.507 1.00 0.00 H new ATOM 0 HA GLN A 74 -2.727 -13.745 -2.914 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -0.843 -12.650 -3.699 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -1.525 -13.302 -5.176 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -2.500 -11.160 -5.780 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -2.170 -10.487 -4.196 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -0.682 -9.005 -4.320 1.00 0.00 H new ATOM 0 HE22 GLN A 74 0.834 -9.096 -5.224 1.00 0.00 H new ATOM 1095 N THR A 75 -2.881 -11.506 -1.694 1.00 0.00 N ATOM 1096 CA THR A 75 -3.283 -10.399 -0.843 1.00 0.00 C ATOM 1097 C THR A 75 -2.053 -9.658 -0.316 1.00 0.00 C ATOM 1098 O THR A 75 -2.145 -8.907 0.655 1.00 0.00 O ATOM 1099 CB THR A 75 -4.179 -10.956 0.265 1.00 0.00 C ATOM 1100 OG1 THR A 75 -3.495 -12.125 0.709 1.00 0.00 O ATOM 1101 CG2 THR A 75 -5.512 -11.484 -0.268 1.00 0.00 C ATOM 0 H THR A 75 -2.094 -12.051 -1.342 1.00 0.00 H new ATOM 0 HA THR A 75 -3.855 -9.658 -1.401 1.00 0.00 H new ATOM 0 HB THR A 75 -4.368 -10.178 1.004 1.00 0.00 H new ATOM 0 HG1 THR A 75 -4.006 -12.549 1.430 1.00 0.00 H new ATOM 0 HG21 THR A 75 -6.109 -11.867 0.560 1.00 0.00 H new ATOM 0 HG22 THR A 75 -6.052 -10.676 -0.761 1.00 0.00 H new ATOM 0 HG23 THR A 75 -5.326 -12.285 -0.983 1.00 0.00 H new ATOM 1109 N THR A 76 -0.931 -9.894 -0.979 1.00 0.00 N ATOM 1110 CA THR A 76 0.316 -9.258 -0.589 1.00 0.00 C ATOM 1111 C THR A 76 1.096 -8.809 -1.827 1.00 0.00 C ATOM 1112 O THR A 76 1.519 -9.637 -2.632 1.00 0.00 O ATOM 1113 CB THR A 76 1.091 -10.237 0.295 1.00 0.00 C ATOM 1114 OG1 THR A 76 1.024 -11.472 -0.413 1.00 0.00 O ATOM 1115 CG2 THR A 76 0.374 -10.526 1.616 1.00 0.00 C ATOM 0 H THR A 76 -0.859 -10.517 -1.784 1.00 0.00 H new ATOM 0 HA THR A 76 0.133 -8.352 -0.012 1.00 0.00 H new ATOM 0 HB THR A 76 2.083 -9.834 0.500 1.00 0.00 H new ATOM 0 HG1 THR A 76 1.142 -11.306 -1.372 1.00 0.00 H new ATOM 0 HG21 THR A 76 0.966 -11.226 2.206 1.00 0.00 H new ATOM 0 HG22 THR A 76 0.249 -9.597 2.173 1.00 0.00 H new ATOM 0 HG23 THR A 76 -0.604 -10.961 1.411 1.00 0.00 H new ATOM 1123 N ALA A 77 1.263 -7.500 -1.939 1.00 0.00 N ATOM 1124 CA ALA A 77 1.985 -6.931 -3.065 1.00 0.00 C ATOM 1125 C ALA A 77 3.081 -6.000 -2.545 1.00 0.00 C ATOM 1126 O ALA A 77 2.867 -5.257 -1.588 1.00 0.00 O ATOM 1127 CB ALA A 77 1.001 -6.214 -3.992 1.00 0.00 C ATOM 0 H ALA A 77 0.911 -6.816 -1.269 1.00 0.00 H new ATOM 0 HA ALA A 77 2.469 -7.715 -3.647 1.00 0.00 H new ATOM 0 HB1 ALA A 77 1.542 -5.787 -4.837 1.00 0.00 H new ATOM 0 HB2 ALA A 77 0.261 -6.926 -4.357 1.00 0.00 H new ATOM 0 HB3 ALA A 77 0.498 -5.418 -3.443 1.00 0.00 H new ATOM 1133 N GLN A 78 4.232 -6.071 -3.198 1.00 0.00 N ATOM 1134 CA GLN A 78 5.363 -5.243 -2.813 1.00 0.00 C ATOM 1135 C GLN A 78 5.182 -3.818 -3.341 1.00 0.00 C ATOM 1136 O GLN A 78 4.781 -3.624 -4.488 1.00 0.00 O ATOM 1137 CB GLN A 78 6.678 -5.848 -3.307 1.00 0.00 C ATOM 1138 CG GLN A 78 7.777 -4.785 -3.381 1.00 0.00 C ATOM 1139 CD GLN A 78 8.111 -4.443 -4.834 1.00 0.00 C ATOM 1140 OE1 GLN A 78 9.248 -4.185 -5.193 1.00 0.00 O ATOM 1141 NE2 GLN A 78 7.059 -4.453 -5.648 1.00 0.00 N ATOM 0 H GLN A 78 4.406 -6.689 -3.991 1.00 0.00 H new ATOM 0 HA GLN A 78 5.406 -5.203 -1.725 1.00 0.00 H new ATOM 0 HB2 GLN A 78 6.988 -6.650 -2.637 1.00 0.00 H new ATOM 0 HB3 GLN A 78 6.531 -6.293 -4.291 1.00 0.00 H new ATOM 0 HG2 GLN A 78 7.454 -3.886 -2.857 1.00 0.00 H new ATOM 0 HG3 GLN A 78 8.672 -5.146 -2.874 1.00 0.00 H new ATOM 0 HE21 GLN A 78 6.134 -4.678 -5.283 1.00 0.00 H new ATOM 0 HE22 GLN A 78 7.178 -4.236 -6.638 1.00 0.00 H new ATOM 1150 N LEU A 79 5.487 -2.859 -2.480 1.00 0.00 N ATOM 1151 CA LEU A 79 5.363 -1.458 -2.846 1.00 0.00 C ATOM 1152 C LEU A 79 6.741 -0.796 -2.786 1.00 0.00 C ATOM 1153 O LEU A 79 7.545 -1.106 -1.909 1.00 0.00 O ATOM 1154 CB LEU A 79 4.311 -0.768 -1.975 1.00 0.00 C ATOM 1155 CG LEU A 79 2.923 -1.412 -1.963 1.00 0.00 C ATOM 1156 CD1 LEU A 79 1.873 -0.440 -1.420 1.00 0.00 C ATOM 1157 CD2 LEU A 79 2.552 -1.940 -3.350 1.00 0.00 C ATOM 0 H LEU A 79 5.820 -3.024 -1.530 1.00 0.00 H new ATOM 0 HA LEU A 79 5.007 -1.362 -3.872 1.00 0.00 H new ATOM 0 HB2 LEU A 79 4.682 -0.733 -0.951 1.00 0.00 H new ATOM 0 HB3 LEU A 79 4.208 0.263 -2.312 1.00 0.00 H new ATOM 0 HG LEU A 79 2.949 -2.268 -1.289 1.00 0.00 H new ATOM 0 HD11 LEU A 79 0.895 -0.922 -1.422 1.00 0.00 H new ATOM 0 HD12 LEU A 79 2.134 -0.154 -0.401 1.00 0.00 H new ATOM 0 HD13 LEU A 79 1.840 0.449 -2.050 1.00 0.00 H new ATOM 0 HD21 LEU A 79 1.561 -2.393 -3.314 1.00 0.00 H new ATOM 0 HD22 LEU A 79 2.549 -1.116 -4.064 1.00 0.00 H new ATOM 0 HD23 LEU A 79 3.281 -2.688 -3.662 1.00 0.00 H new ATOM 1169 N ASN A 80 6.971 0.104 -3.731 1.00 0.00 N ATOM 1170 CA ASN A 80 8.238 0.812 -3.797 1.00 0.00 C ATOM 1171 C ASN A 80 8.100 2.163 -3.093 1.00 0.00 C ATOM 1172 O ASN A 80 7.390 3.047 -3.571 1.00 0.00 O ATOM 1173 CB ASN A 80 8.647 1.075 -5.248 1.00 0.00 C ATOM 1174 CG ASN A 80 9.499 -0.073 -5.794 1.00 0.00 C ATOM 1175 OD1 ASN A 80 10.682 0.068 -6.057 1.00 0.00 O ATOM 1176 ND2 ASN A 80 8.833 -1.213 -5.950 1.00 0.00 N ATOM 0 H ASN A 80 6.301 0.359 -4.457 1.00 0.00 H new ATOM 0 HA ASN A 80 8.995 0.194 -3.315 1.00 0.00 H new ATOM 0 HB2 ASN A 80 7.756 1.197 -5.864 1.00 0.00 H new ATOM 0 HB3 ASN A 80 9.206 2.009 -5.308 1.00 0.00 H new ATOM 0 HD21 ASN A 80 9.312 -2.039 -6.310 1.00 0.00 H new ATOM 0 HD22 ASN A 80 7.843 -1.262 -5.710 1.00 0.00 H new ATOM 1183 N LEU A 81 8.789 2.281 -1.968 1.00 0.00 N ATOM 1184 CA LEU A 81 8.752 3.510 -1.193 1.00 0.00 C ATOM 1185 C LEU A 81 10.110 4.208 -1.287 1.00 0.00 C ATOM 1186 O LEU A 81 11.117 3.575 -1.597 1.00 0.00 O ATOM 1187 CB LEU A 81 8.305 3.224 0.243 1.00 0.00 C ATOM 1188 CG LEU A 81 6.972 2.490 0.397 1.00 0.00 C ATOM 1189 CD1 LEU A 81 6.462 2.576 1.837 1.00 0.00 C ATOM 1190 CD2 LEU A 81 5.942 3.007 -0.609 1.00 0.00 C ATOM 0 H LEU A 81 9.376 1.546 -1.574 1.00 0.00 H new ATOM 0 HA LEU A 81 8.011 4.197 -1.602 1.00 0.00 H new ATOM 0 HB2 LEU A 81 9.080 2.635 0.733 1.00 0.00 H new ATOM 0 HB3 LEU A 81 8.239 4.172 0.777 1.00 0.00 H new ATOM 0 HG LEU A 81 7.135 1.435 0.176 1.00 0.00 H new ATOM 0 HD11 LEU A 81 5.513 2.046 1.919 1.00 0.00 H new ATOM 0 HD12 LEU A 81 7.190 2.122 2.509 1.00 0.00 H new ATOM 0 HD13 LEU A 81 6.319 3.621 2.110 1.00 0.00 H new ATOM 0 HD21 LEU A 81 5.003 2.468 -0.478 1.00 0.00 H new ATOM 0 HD22 LEU A 81 5.775 4.072 -0.445 1.00 0.00 H new ATOM 0 HD23 LEU A 81 6.312 2.850 -1.622 1.00 0.00 H new ATOM 1202 N SER A 82 10.092 5.505 -1.014 1.00 0.00 N ATOM 1203 CA SER A 82 11.310 6.297 -1.064 1.00 0.00 C ATOM 1204 C SER A 82 11.458 7.110 0.223 1.00 0.00 C ATOM 1205 O SER A 82 10.520 7.205 1.014 1.00 0.00 O ATOM 1206 CB SER A 82 11.314 7.224 -2.281 1.00 0.00 C ATOM 1207 OG SER A 82 12.283 6.830 -3.249 1.00 0.00 O ATOM 0 H SER A 82 9.254 6.027 -0.758 1.00 0.00 H new ATOM 0 HA SER A 82 12.157 5.617 -1.156 1.00 0.00 H new ATOM 0 HB2 SER A 82 10.325 7.226 -2.738 1.00 0.00 H new ATOM 0 HB3 SER A 82 11.518 8.245 -1.958 1.00 0.00 H new ATOM 0 HG SER A 82 12.253 7.445 -4.011 1.00 0.00 H new ATOM 1213 N PRO A 83 12.675 7.691 0.399 1.00 0.00 N ATOM 1214 CA PRO A 83 12.959 8.493 1.577 1.00 0.00 C ATOM 1215 C PRO A 83 12.281 9.861 1.485 1.00 0.00 C ATOM 1216 O PRO A 83 12.338 10.518 0.446 1.00 0.00 O ATOM 1217 CB PRO A 83 14.475 8.584 1.635 1.00 0.00 C ATOM 1218 CG PRO A 83 14.968 8.228 0.242 1.00 0.00 C ATOM 1219 CD PRO A 83 13.810 7.600 -0.516 1.00 0.00 C ATOM 0 HA PRO A 83 12.565 8.051 2.492 1.00 0.00 H new ATOM 0 HB2 PRO A 83 14.795 9.587 1.918 1.00 0.00 H new ATOM 0 HB3 PRO A 83 14.879 7.898 2.379 1.00 0.00 H new ATOM 0 HG2 PRO A 83 15.325 9.118 -0.276 1.00 0.00 H new ATOM 0 HG3 PRO A 83 15.807 7.535 0.300 1.00 0.00 H new ATOM 0 HD2 PRO A 83 13.612 8.131 -1.447 1.00 0.00 H new ATOM 0 HD3 PRO A 83 14.024 6.564 -0.779 1.00 0.00 H new ATOM 1227 N TYR A 84 11.653 10.251 2.585 1.00 0.00 N ATOM 1228 CA TYR A 84 10.965 11.529 2.641 1.00 0.00 C ATOM 1229 C TYR A 84 9.791 11.563 1.661 1.00 0.00 C ATOM 1230 O TYR A 84 9.800 12.335 0.703 1.00 0.00 O ATOM 1231 CB TYR A 84 11.994 12.581 2.223 1.00 0.00 C ATOM 1232 CG TYR A 84 13.392 12.348 2.800 1.00 0.00 C ATOM 1233 CD1 TYR A 84 13.649 12.639 4.125 1.00 0.00 C ATOM 1234 CD2 TYR A 84 14.395 11.847 1.996 1.00 0.00 C ATOM 1235 CE1 TYR A 84 14.964 12.420 4.668 1.00 0.00 C ATOM 1236 CE2 TYR A 84 15.711 11.628 2.539 1.00 0.00 C ATOM 1237 CZ TYR A 84 15.931 11.925 3.848 1.00 0.00 C ATOM 1238 OH TYR A 84 17.173 11.718 4.361 1.00 0.00 O ATOM 0 H TYR A 84 11.607 9.704 3.445 1.00 0.00 H new ATOM 0 HA TYR A 84 10.568 11.707 3.640 1.00 0.00 H new ATOM 0 HB2 TYR A 84 12.059 12.598 1.135 1.00 0.00 H new ATOM 0 HB3 TYR A 84 11.642 13.564 2.537 1.00 0.00 H new ATOM 0 HD1 TYR A 84 12.863 13.031 4.754 1.00 0.00 H new ATOM 0 HD2 TYR A 84 14.193 11.619 0.960 1.00 0.00 H new ATOM 0 HE1 TYR A 84 15.178 12.643 5.703 1.00 0.00 H new ATOM 0 HE2 TYR A 84 16.505 11.237 1.921 1.00 0.00 H new ATOM 0 HH TYR A 84 17.760 11.361 3.662 1.00 0.00 H new ATOM 1248 N VAL A 85 8.808 10.717 1.934 1.00 0.00 N ATOM 1249 CA VAL A 85 7.630 10.641 1.088 1.00 0.00 C ATOM 1250 C VAL A 85 6.443 10.146 1.917 1.00 0.00 C ATOM 1251 O VAL A 85 6.249 8.941 2.072 1.00 0.00 O ATOM 1252 CB VAL A 85 7.916 9.760 -0.130 1.00 0.00 C ATOM 1253 CG1 VAL A 85 7.029 10.155 -1.313 1.00 0.00 C ATOM 1254 CG2 VAL A 85 9.397 9.817 -0.512 1.00 0.00 C ATOM 0 H VAL A 85 8.804 10.078 2.729 1.00 0.00 H new ATOM 0 HA VAL A 85 7.371 11.628 0.705 1.00 0.00 H new ATOM 0 HB VAL A 85 7.678 8.731 0.138 1.00 0.00 H new ATOM 0 HG11 VAL A 85 7.252 9.513 -2.165 1.00 0.00 H new ATOM 0 HG12 VAL A 85 5.981 10.039 -1.037 1.00 0.00 H new ATOM 0 HG13 VAL A 85 7.221 11.194 -1.581 1.00 0.00 H new ATOM 0 HG21 VAL A 85 9.573 9.182 -1.380 1.00 0.00 H new ATOM 0 HG22 VAL A 85 9.672 10.844 -0.752 1.00 0.00 H new ATOM 0 HG23 VAL A 85 10.002 9.465 0.324 1.00 0.00 H new ATOM 1264 N ASN A 86 5.680 11.101 2.428 1.00 0.00 N ATOM 1265 CA ASN A 86 4.518 10.778 3.238 1.00 0.00 C ATOM 1266 C ASN A 86 3.311 10.554 2.324 1.00 0.00 C ATOM 1267 O ASN A 86 2.946 11.433 1.545 1.00 0.00 O ATOM 1268 CB ASN A 86 4.179 11.921 4.196 1.00 0.00 C ATOM 1269 CG ASN A 86 3.661 11.382 5.532 1.00 0.00 C ATOM 1270 OD1 ASN A 86 3.235 10.245 5.648 1.00 0.00 O ATOM 1271 ND2 ASN A 86 3.723 12.259 6.529 1.00 0.00 N ATOM 0 H ASN A 86 5.844 12.099 2.297 1.00 0.00 H new ATOM 0 HA ASN A 86 4.747 9.881 3.814 1.00 0.00 H new ATOM 0 HB2 ASN A 86 5.065 12.533 4.366 1.00 0.00 H new ATOM 0 HB3 ASN A 86 3.427 12.568 3.744 1.00 0.00 H new ATOM 0 HD21 ASN A 86 3.402 11.995 7.461 1.00 0.00 H new ATOM 0 HD22 ASN A 86 4.091 13.195 6.362 1.00 0.00 H new ATOM 1278 N TYR A 87 2.726 9.372 2.449 1.00 0.00 N ATOM 1279 CA TYR A 87 1.568 9.021 1.644 1.00 0.00 C ATOM 1280 C TYR A 87 0.819 7.832 2.249 1.00 0.00 C ATOM 1281 O TYR A 87 1.263 7.253 3.240 1.00 0.00 O ATOM 1282 CB TYR A 87 2.114 8.620 0.272 1.00 0.00 C ATOM 1283 CG TYR A 87 3.473 7.918 0.324 1.00 0.00 C ATOM 1284 CD1 TYR A 87 3.717 6.958 1.285 1.00 0.00 C ATOM 1285 CD2 TYR A 87 4.454 8.246 -0.589 1.00 0.00 C ATOM 1286 CE1 TYR A 87 4.996 6.298 1.334 1.00 0.00 C ATOM 1287 CE2 TYR A 87 5.733 7.586 -0.540 1.00 0.00 C ATOM 1288 CZ TYR A 87 5.941 6.644 0.419 1.00 0.00 C ATOM 1289 OH TYR A 87 7.148 6.021 0.465 1.00 0.00 O ATOM 0 H TYR A 87 3.032 8.645 3.096 1.00 0.00 H new ATOM 0 HA TYR A 87 0.872 9.858 1.589 1.00 0.00 H new ATOM 0 HB2 TYR A 87 1.395 7.962 -0.216 1.00 0.00 H new ATOM 0 HB3 TYR A 87 2.201 9.512 -0.348 1.00 0.00 H new ATOM 0 HD1 TYR A 87 2.949 6.702 2.000 1.00 0.00 H new ATOM 0 HD2 TYR A 87 4.263 8.998 -1.340 1.00 0.00 H new ATOM 0 HE1 TYR A 87 5.200 5.545 2.081 1.00 0.00 H new ATOM 0 HE2 TYR A 87 6.510 7.833 -1.249 1.00 0.00 H new ATOM 0 HH TYR A 87 7.832 6.655 0.765 1.00 0.00 H new ATOM 1299 N SER A 88 -0.304 7.503 1.628 1.00 0.00 N ATOM 1300 CA SER A 88 -1.119 6.393 2.093 1.00 0.00 C ATOM 1301 C SER A 88 -1.157 5.292 1.031 1.00 0.00 C ATOM 1302 O SER A 88 -0.520 5.410 -0.014 1.00 0.00 O ATOM 1303 CB SER A 88 -2.538 6.855 2.430 1.00 0.00 C ATOM 1304 OG SER A 88 -2.545 7.869 3.431 1.00 0.00 O ATOM 0 H SER A 88 -0.669 7.985 0.807 1.00 0.00 H new ATOM 0 HA SER A 88 -0.670 5.996 3.003 1.00 0.00 H new ATOM 0 HB2 SER A 88 -3.020 7.232 1.528 1.00 0.00 H new ATOM 0 HB3 SER A 88 -3.125 6.003 2.773 1.00 0.00 H new ATOM 0 HG SER A 88 -3.469 8.139 3.617 1.00 0.00 H new ATOM 1310 N PHE A 89 -1.911 4.246 1.337 1.00 0.00 N ATOM 1311 CA PHE A 89 -2.041 3.124 0.423 1.00 0.00 C ATOM 1312 C PHE A 89 -3.402 2.443 0.581 1.00 0.00 C ATOM 1313 O PHE A 89 -3.825 2.146 1.697 1.00 0.00 O ATOM 1314 CB PHE A 89 -0.939 2.125 0.780 1.00 0.00 C ATOM 1315 CG PHE A 89 0.477 2.697 0.677 1.00 0.00 C ATOM 1316 CD1 PHE A 89 0.943 3.536 1.640 1.00 0.00 C ATOM 1317 CD2 PHE A 89 1.268 2.366 -0.378 1.00 0.00 C ATOM 1318 CE1 PHE A 89 2.257 4.067 1.544 1.00 0.00 C ATOM 1319 CE2 PHE A 89 2.582 2.897 -0.474 1.00 0.00 C ATOM 1320 CZ PHE A 89 3.048 3.736 0.489 1.00 0.00 C ATOM 0 H PHE A 89 -2.438 4.152 2.205 1.00 0.00 H new ATOM 0 HA PHE A 89 -1.956 3.472 -0.607 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -1.102 1.767 1.797 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -1.019 1.260 0.121 1.00 0.00 H new ATOM 0 HD1 PHE A 89 0.314 3.799 2.478 1.00 0.00 H new ATOM 0 HD2 PHE A 89 0.897 1.700 -1.143 1.00 0.00 H new ATOM 0 HE1 PHE A 89 2.628 4.733 2.309 1.00 0.00 H new ATOM 0 HE2 PHE A 89 3.211 2.634 -1.312 1.00 0.00 H new ATOM 0 HZ PHE A 89 4.047 4.140 0.416 1.00 0.00 H new ATOM 1330 N ARG A 90 -4.048 2.214 -0.552 1.00 0.00 N ATOM 1331 CA ARG A 90 -5.352 1.572 -0.554 1.00 0.00 C ATOM 1332 C ARG A 90 -5.321 0.308 -1.414 1.00 0.00 C ATOM 1333 O ARG A 90 -4.282 -0.042 -1.973 1.00 0.00 O ATOM 1334 CB ARG A 90 -6.431 2.518 -1.087 1.00 0.00 C ATOM 1335 CG ARG A 90 -6.238 2.781 -2.582 1.00 0.00 C ATOM 1336 CD ARG A 90 -6.563 4.235 -2.930 1.00 0.00 C ATOM 1337 NE ARG A 90 -7.386 4.290 -4.159 1.00 0.00 N ATOM 1338 CZ ARG A 90 -8.211 5.300 -4.466 1.00 0.00 C ATOM 1339 NH1 ARG A 90 -8.329 6.345 -3.635 1.00 0.00 N ATOM 1340 NH2 ARG A 90 -8.919 5.265 -5.603 1.00 0.00 N ATOM 0 H ARG A 90 -3.693 2.461 -1.476 1.00 0.00 H new ATOM 0 HA ARG A 90 -5.593 1.308 0.476 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -7.417 2.086 -0.914 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -6.396 3.460 -0.541 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -5.209 2.557 -2.864 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -6.879 2.114 -3.158 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -7.097 4.705 -2.104 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -5.641 4.798 -3.075 1.00 0.00 H new ATOM 0 HE ARG A 90 -7.321 3.510 -4.813 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -7.791 6.371 -2.769 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -8.957 7.114 -3.869 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -8.830 4.469 -6.235 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -9.547 6.034 -5.837 1.00 0.00 H new ATOM 1354 N VAL A 91 -6.472 -0.344 -1.494 1.00 0.00 N ATOM 1355 CA VAL A 91 -6.590 -1.562 -2.278 1.00 0.00 C ATOM 1356 C VAL A 91 -7.991 -1.638 -2.886 1.00 0.00 C ATOM 1357 O VAL A 91 -8.982 -1.367 -2.209 1.00 0.00 O ATOM 1358 CB VAL A 91 -6.247 -2.776 -1.412 1.00 0.00 C ATOM 1359 CG1 VAL A 91 -6.426 -4.077 -2.196 1.00 0.00 C ATOM 1360 CG2 VAL A 91 -4.828 -2.665 -0.850 1.00 0.00 C ATOM 0 H VAL A 91 -7.331 -0.052 -1.029 1.00 0.00 H new ATOM 0 HA VAL A 91 -5.878 -1.556 -3.103 1.00 0.00 H new ATOM 0 HB VAL A 91 -6.940 -2.794 -0.571 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -6.176 -4.924 -1.557 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -7.462 -4.164 -2.525 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -5.769 -4.071 -3.065 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -4.609 -3.540 -0.238 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -4.114 -2.609 -1.672 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -4.748 -1.766 -0.239 1.00 0.00 H new ATOM 1370 N MET A 92 -8.030 -2.009 -4.158 1.00 0.00 N ATOM 1371 CA MET A 92 -9.294 -2.125 -4.865 1.00 0.00 C ATOM 1372 C MET A 92 -9.509 -3.551 -5.375 1.00 0.00 C ATOM 1373 O MET A 92 -8.547 -4.279 -5.617 1.00 0.00 O ATOM 1374 CB MET A 92 -9.309 -1.153 -6.046 1.00 0.00 C ATOM 1375 CG MET A 92 -9.563 0.280 -5.574 1.00 0.00 C ATOM 1376 SD MET A 92 -8.352 1.381 -6.287 1.00 0.00 S ATOM 1377 CE MET A 92 -6.870 0.755 -5.514 1.00 0.00 C ATOM 0 H MET A 92 -7.207 -2.233 -4.717 1.00 0.00 H new ATOM 0 HA MET A 92 -10.100 -1.882 -4.172 1.00 0.00 H new ATOM 0 HB2 MET A 92 -8.357 -1.202 -6.574 1.00 0.00 H new ATOM 0 HB3 MET A 92 -10.082 -1.449 -6.755 1.00 0.00 H new ATOM 0 HG2 MET A 92 -10.566 0.594 -5.862 1.00 0.00 H new ATOM 0 HG3 MET A 92 -9.514 0.327 -4.486 1.00 0.00 H new ATOM 0 HE1 MET A 92 -6.195 1.583 -5.297 1.00 0.00 H new ATOM 0 HE2 MET A 92 -7.131 0.247 -4.586 1.00 0.00 H new ATOM 0 HE3 MET A 92 -6.378 0.052 -6.186 1.00 0.00 H new ATOM 1387 N ALA A 93 -10.776 -3.909 -5.522 1.00 0.00 N ATOM 1388 CA ALA A 93 -11.129 -5.235 -5.999 1.00 0.00 C ATOM 1389 C ALA A 93 -11.947 -5.109 -7.286 1.00 0.00 C ATOM 1390 O ALA A 93 -12.794 -4.225 -7.403 1.00 0.00 O ATOM 1391 CB ALA A 93 -11.883 -5.988 -4.901 1.00 0.00 C ATOM 0 H ALA A 93 -11.571 -3.303 -5.319 1.00 0.00 H new ATOM 0 HA ALA A 93 -10.233 -5.810 -6.233 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -12.148 -6.983 -5.258 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -11.249 -6.076 -4.019 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -12.790 -5.442 -4.642 1.00 0.00 H new ATOM 1397 N VAL A 94 -11.664 -6.007 -8.219 1.00 0.00 N ATOM 1398 CA VAL A 94 -12.363 -6.007 -9.493 1.00 0.00 C ATOM 1399 C VAL A 94 -12.727 -7.445 -9.869 1.00 0.00 C ATOM 1400 O VAL A 94 -11.873 -8.330 -9.852 1.00 0.00 O ATOM 1401 CB VAL A 94 -11.514 -5.308 -10.556 1.00 0.00 C ATOM 1402 CG1 VAL A 94 -12.380 -4.831 -11.723 1.00 0.00 C ATOM 1403 CG2 VAL A 94 -10.723 -4.146 -9.949 1.00 0.00 C ATOM 0 H VAL A 94 -10.961 -6.739 -8.118 1.00 0.00 H new ATOM 0 HA VAL A 94 -13.294 -5.444 -9.418 1.00 0.00 H new ATOM 0 HB VAL A 94 -10.799 -6.034 -10.944 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -11.752 -4.338 -12.464 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -12.877 -5.686 -12.180 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -13.129 -4.129 -11.357 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -10.128 -3.666 -10.726 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -11.414 -3.420 -9.521 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -10.063 -4.524 -9.168 1.00 0.00 H new ATOM 1413 N ASN A 95 -13.996 -7.633 -10.201 1.00 0.00 N ATOM 1414 CA ASN A 95 -14.483 -8.948 -10.581 1.00 0.00 C ATOM 1415 C ASN A 95 -15.301 -8.831 -11.869 1.00 0.00 C ATOM 1416 O ASN A 95 -15.329 -7.773 -12.497 1.00 0.00 O ATOM 1417 CB ASN A 95 -15.390 -9.534 -9.497 1.00 0.00 C ATOM 1418 CG ASN A 95 -16.517 -8.563 -9.141 1.00 0.00 C ATOM 1419 OD1 ASN A 95 -16.868 -7.673 -9.899 1.00 0.00 O ATOM 1420 ND2 ASN A 95 -17.064 -8.783 -7.949 1.00 0.00 N ATOM 0 H ASN A 95 -14.702 -6.896 -10.215 1.00 0.00 H new ATOM 0 HA ASN A 95 -13.621 -9.600 -10.721 1.00 0.00 H new ATOM 0 HB2 ASN A 95 -15.813 -10.477 -9.843 1.00 0.00 H new ATOM 0 HB3 ASN A 95 -14.802 -9.756 -8.607 1.00 0.00 H new ATOM 0 HD21 ASN A 95 -17.825 -8.189 -7.620 1.00 0.00 H new ATOM 0 HD22 ASN A 95 -16.722 -9.546 -7.364 1.00 0.00 H new ATOM 1427 N SER A 96 -15.947 -9.932 -12.224 1.00 0.00 N ATOM 1428 CA SER A 96 -16.763 -9.966 -13.426 1.00 0.00 C ATOM 1429 C SER A 96 -17.528 -8.650 -13.576 1.00 0.00 C ATOM 1430 O SER A 96 -17.634 -8.112 -14.677 1.00 0.00 O ATOM 1431 CB SER A 96 -17.737 -11.146 -13.396 1.00 0.00 C ATOM 1432 OG SER A 96 -17.081 -12.386 -13.642 1.00 0.00 O ATOM 0 H SER A 96 -15.922 -10.807 -11.700 1.00 0.00 H new ATOM 0 HA SER A 96 -16.104 -10.095 -14.284 1.00 0.00 H new ATOM 0 HB2 SER A 96 -18.231 -11.184 -12.425 1.00 0.00 H new ATOM 0 HB3 SER A 96 -18.515 -10.993 -14.144 1.00 0.00 H new ATOM 0 HG SER A 96 -17.736 -13.114 -13.613 1.00 0.00 H new ATOM 1438 N ILE A 97 -18.042 -8.169 -12.454 1.00 0.00 N ATOM 1439 CA ILE A 97 -18.795 -6.926 -12.447 1.00 0.00 C ATOM 1440 C ILE A 97 -17.876 -5.777 -12.868 1.00 0.00 C ATOM 1441 O ILE A 97 -17.604 -5.597 -14.054 1.00 0.00 O ATOM 1442 CB ILE A 97 -19.464 -6.712 -11.088 1.00 0.00 C ATOM 1443 CG1 ILE A 97 -20.332 -7.913 -10.709 1.00 0.00 C ATOM 1444 CG2 ILE A 97 -20.256 -5.403 -11.067 1.00 0.00 C ATOM 1445 CD1 ILE A 97 -21.721 -7.808 -11.344 1.00 0.00 C ATOM 0 H ILE A 97 -17.952 -8.618 -11.542 1.00 0.00 H new ATOM 0 HA ILE A 97 -19.607 -6.968 -13.172 1.00 0.00 H new ATOM 0 HB ILE A 97 -18.683 -6.628 -10.332 1.00 0.00 H new ATOM 0 HG12 ILE A 97 -19.848 -8.834 -11.035 1.00 0.00 H new ATOM 0 HG13 ILE A 97 -20.427 -7.970 -9.625 1.00 0.00 H new ATOM 0 HG21 ILE A 97 -20.722 -5.275 -10.090 1.00 0.00 H new ATOM 0 HG22 ILE A 97 -19.583 -4.568 -11.261 1.00 0.00 H new ATOM 0 HG23 ILE A 97 -21.028 -5.433 -11.836 1.00 0.00 H new ATOM 0 HD11 ILE A 97 -22.318 -8.674 -11.059 1.00 0.00 H new ATOM 0 HD12 ILE A 97 -22.212 -6.899 -10.997 1.00 0.00 H new ATOM 0 HD13 ILE A 97 -21.623 -7.776 -12.429 1.00 0.00 H new ATOM 1457 N GLY A 98 -17.423 -5.029 -11.873 1.00 0.00 N ATOM 1458 CA GLY A 98 -16.541 -3.902 -12.125 1.00 0.00 C ATOM 1459 C GLY A 98 -15.558 -3.706 -10.969 1.00 0.00 C ATOM 1460 O GLY A 98 -15.235 -4.655 -10.256 1.00 0.00 O ATOM 0 H GLY A 98 -17.650 -5.181 -10.890 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -15.990 -4.066 -13.051 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -17.132 -2.996 -12.262 1.00 0.00 H new ATOM 1464 N LYS A 99 -15.111 -2.468 -10.819 1.00 0.00 N ATOM 1465 CA LYS A 99 -14.171 -2.135 -9.761 1.00 0.00 C ATOM 1466 C LYS A 99 -14.920 -1.448 -8.617 1.00 0.00 C ATOM 1467 O LYS A 99 -15.643 -0.478 -8.838 1.00 0.00 O ATOM 1468 CB LYS A 99 -13.009 -1.310 -10.317 1.00 0.00 C ATOM 1469 CG LYS A 99 -12.011 -0.955 -9.213 1.00 0.00 C ATOM 1470 CD LYS A 99 -11.286 0.355 -9.530 1.00 0.00 C ATOM 1471 CE LYS A 99 -10.407 0.208 -10.774 1.00 0.00 C ATOM 1472 NZ LYS A 99 -9.800 1.509 -11.136 1.00 0.00 N ATOM 0 H LYS A 99 -15.382 -1.683 -11.412 1.00 0.00 H new ATOM 0 HA LYS A 99 -13.722 -3.040 -9.351 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -12.503 -1.871 -11.103 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -13.392 -0.397 -10.773 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -12.534 -0.864 -8.261 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -11.284 -1.760 -9.102 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -12.015 1.150 -9.688 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -10.672 0.650 -8.679 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -9.623 -0.527 -10.588 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -11.004 -0.166 -11.606 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -9.207 1.392 -11.982 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -10.552 2.200 -11.333 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -9.214 1.850 -10.347 1.00 0.00 H new ATOM 1486 N SER A 100 -14.722 -1.979 -7.420 1.00 0.00 N ATOM 1487 CA SER A 100 -15.369 -1.430 -6.241 1.00 0.00 C ATOM 1488 C SER A 100 -14.602 -0.202 -5.746 1.00 0.00 C ATOM 1489 O SER A 100 -13.516 0.097 -6.242 1.00 0.00 O ATOM 1490 CB SER A 100 -15.470 -2.476 -5.129 1.00 0.00 C ATOM 1491 OG SER A 100 -14.242 -2.624 -4.422 1.00 0.00 O ATOM 0 H SER A 100 -14.122 -2.784 -7.241 1.00 0.00 H new ATOM 0 HA SER A 100 -16.381 -1.132 -6.515 1.00 0.00 H new ATOM 0 HB2 SER A 100 -16.257 -2.189 -4.432 1.00 0.00 H new ATOM 0 HB3 SER A 100 -15.759 -3.435 -5.559 1.00 0.00 H new ATOM 0 HG SER A 100 -14.178 -3.534 -4.065 1.00 0.00 H new ATOM 1497 N LEU A 101 -15.195 0.475 -4.774 1.00 0.00 N ATOM 1498 CA LEU A 101 -14.580 1.663 -4.207 1.00 0.00 C ATOM 1499 C LEU A 101 -13.243 1.284 -3.567 1.00 0.00 C ATOM 1500 O LEU A 101 -12.990 0.111 -3.298 1.00 0.00 O ATOM 1501 CB LEU A 101 -15.546 2.360 -3.247 1.00 0.00 C ATOM 1502 CG LEU A 101 -16.614 3.244 -3.895 1.00 0.00 C ATOM 1503 CD1 LEU A 101 -17.712 3.602 -2.891 1.00 0.00 C ATOM 1504 CD2 LEU A 101 -15.987 4.488 -4.527 1.00 0.00 C ATOM 0 H LEU A 101 -16.095 0.224 -4.365 1.00 0.00 H new ATOM 0 HA LEU A 101 -14.364 2.391 -4.989 1.00 0.00 H new ATOM 0 HB2 LEU A 101 -16.047 1.598 -2.650 1.00 0.00 H new ATOM 0 HB3 LEU A 101 -14.964 2.973 -2.559 1.00 0.00 H new ATOM 0 HG LEU A 101 -17.085 2.678 -4.699 1.00 0.00 H new ATOM 0 HD11 LEU A 101 -18.458 4.231 -3.377 1.00 0.00 H new ATOM 0 HD12 LEU A 101 -18.186 2.689 -2.529 1.00 0.00 H new ATOM 0 HD13 LEU A 101 -17.275 4.141 -2.051 1.00 0.00 H new ATOM 0 HD21 LEU A 101 -16.768 5.099 -4.980 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -15.474 5.067 -3.759 1.00 0.00 H new ATOM 0 HD23 LEU A 101 -15.272 4.186 -5.293 1.00 0.00 H new ATOM 1516 N PRO A 102 -12.401 2.327 -3.335 1.00 0.00 N ATOM 1517 CA PRO A 102 -11.096 2.115 -2.731 1.00 0.00 C ATOM 1518 C PRO A 102 -11.225 1.840 -1.231 1.00 0.00 C ATOM 1519 O PRO A 102 -12.065 2.433 -0.557 1.00 0.00 O ATOM 1520 CB PRO A 102 -10.311 3.379 -3.038 1.00 0.00 C ATOM 1521 CG PRO A 102 -11.344 4.436 -3.395 1.00 0.00 C ATOM 1522 CD PRO A 102 -12.667 3.729 -3.640 1.00 0.00 C ATOM 0 HA PRO A 102 -10.585 1.238 -3.129 1.00 0.00 H new ATOM 0 HB2 PRO A 102 -9.717 3.688 -2.178 1.00 0.00 H new ATOM 0 HB3 PRO A 102 -9.617 3.217 -3.863 1.00 0.00 H new ATOM 0 HG2 PRO A 102 -11.443 5.162 -2.588 1.00 0.00 H new ATOM 0 HG3 PRO A 102 -11.035 4.987 -4.283 1.00 0.00 H new ATOM 0 HD2 PRO A 102 -13.454 4.130 -3.002 1.00 0.00 H new ATOM 0 HD3 PRO A 102 -12.998 3.854 -4.671 1.00 0.00 H new ATOM 1530 N SER A 103 -10.378 0.939 -0.753 1.00 0.00 N ATOM 1531 CA SER A 103 -10.386 0.579 0.655 1.00 0.00 C ATOM 1532 C SER A 103 -10.321 1.840 1.519 1.00 0.00 C ATOM 1533 O SER A 103 -9.937 2.905 1.039 1.00 0.00 O ATOM 1534 CB SER A 103 -9.222 -0.356 0.990 1.00 0.00 C ATOM 1535 OG SER A 103 -8.135 0.341 1.594 1.00 0.00 O ATOM 0 H SER A 103 -9.683 0.448 -1.315 1.00 0.00 H new ATOM 0 HA SER A 103 -11.315 0.050 0.868 1.00 0.00 H new ATOM 0 HB2 SER A 103 -9.569 -1.140 1.663 1.00 0.00 H new ATOM 0 HB3 SER A 103 -8.877 -0.847 0.080 1.00 0.00 H new ATOM 0 HG SER A 103 -8.163 0.212 2.565 1.00 0.00 H new ATOM 1541 N GLU A 104 -10.702 1.676 2.777 1.00 0.00 N ATOM 1542 CA GLU A 104 -10.691 2.788 3.712 1.00 0.00 C ATOM 1543 C GLU A 104 -9.466 3.673 3.472 1.00 0.00 C ATOM 1544 O GLU A 104 -9.580 4.755 2.899 1.00 0.00 O ATOM 1545 CB GLU A 104 -10.732 2.289 5.158 1.00 0.00 C ATOM 1546 CG GLU A 104 -11.992 1.461 5.417 1.00 0.00 C ATOM 1547 CD GLU A 104 -11.682 0.256 6.308 1.00 0.00 C ATOM 1548 OE1 GLU A 104 -10.607 -0.345 6.096 1.00 0.00 O ATOM 1549 OE2 GLU A 104 -12.528 -0.036 7.181 1.00 0.00 O ATOM 0 H GLU A 104 -11.020 0.790 3.171 1.00 0.00 H new ATOM 0 HA GLU A 104 -11.586 3.387 3.543 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -9.848 1.686 5.363 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -10.704 3.138 5.840 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -12.750 2.084 5.892 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -12.409 1.120 4.469 1.00 0.00 H new ATOM 1556 N ALA A 105 -8.321 3.178 3.921 1.00 0.00 N ATOM 1557 CA ALA A 105 -7.076 3.910 3.761 1.00 0.00 C ATOM 1558 C ALA A 105 -6.045 3.377 4.758 1.00 0.00 C ATOM 1559 O ALA A 105 -6.078 3.727 5.937 1.00 0.00 O ATOM 1560 CB ALA A 105 -7.338 5.407 3.938 1.00 0.00 C ATOM 0 H ALA A 105 -8.230 2.280 4.395 1.00 0.00 H new ATOM 0 HA ALA A 105 -6.672 3.766 2.759 1.00 0.00 H new ATOM 0 HB1 ALA A 105 -6.404 5.956 3.818 1.00 0.00 H new ATOM 0 HB2 ALA A 105 -8.055 5.742 3.189 1.00 0.00 H new ATOM 0 HB3 ALA A 105 -7.742 5.590 4.934 1.00 0.00 H new ATOM 1566 N SER A 106 -5.155 2.538 4.248 1.00 0.00 N ATOM 1567 CA SER A 106 -4.116 1.953 5.079 1.00 0.00 C ATOM 1568 C SER A 106 -3.338 3.057 5.798 1.00 0.00 C ATOM 1569 O SER A 106 -3.424 4.226 5.425 1.00 0.00 O ATOM 1570 CB SER A 106 -3.167 1.089 4.247 1.00 0.00 C ATOM 1571 OG SER A 106 -2.638 0.000 4.999 1.00 0.00 O ATOM 0 H SER A 106 -5.132 2.249 3.270 1.00 0.00 H new ATOM 0 HA SER A 106 -4.591 1.311 5.821 1.00 0.00 H new ATOM 0 HB2 SER A 106 -3.697 0.704 3.376 1.00 0.00 H new ATOM 0 HB3 SER A 106 -2.348 1.705 3.876 1.00 0.00 H new ATOM 0 HG SER A 106 -2.038 -0.528 4.432 1.00 0.00 H new ATOM 1577 N GLU A 107 -2.595 2.646 6.815 1.00 0.00 N ATOM 1578 CA GLU A 107 -1.801 3.586 7.589 1.00 0.00 C ATOM 1579 C GLU A 107 -0.802 4.309 6.684 1.00 0.00 C ATOM 1580 O GLU A 107 -0.332 3.745 5.698 1.00 0.00 O ATOM 1581 CB GLU A 107 -1.085 2.879 8.742 1.00 0.00 C ATOM 1582 CG GLU A 107 -0.539 1.521 8.297 1.00 0.00 C ATOM 1583 CD GLU A 107 0.796 1.216 8.981 1.00 0.00 C ATOM 1584 OE1 GLU A 107 1.802 1.824 8.557 1.00 0.00 O ATOM 1585 OE2 GLU A 107 0.779 0.381 9.911 1.00 0.00 O ATOM 0 H GLU A 107 -2.526 1.675 7.121 1.00 0.00 H new ATOM 0 HA GLU A 107 -2.472 4.328 8.022 1.00 0.00 H new ATOM 0 HB2 GLU A 107 -0.268 3.503 9.104 1.00 0.00 H new ATOM 0 HB3 GLU A 107 -1.775 2.743 9.575 1.00 0.00 H new ATOM 0 HG2 GLU A 107 -1.260 0.739 8.535 1.00 0.00 H new ATOM 0 HG3 GLU A 107 -0.407 1.515 7.215 1.00 0.00 H new ATOM 1592 N GLN A 108 -0.508 5.547 7.052 1.00 0.00 N ATOM 1593 CA GLN A 108 0.427 6.354 6.286 1.00 0.00 C ATOM 1594 C GLN A 108 1.863 5.905 6.559 1.00 0.00 C ATOM 1595 O GLN A 108 2.426 6.217 7.607 1.00 0.00 O ATOM 1596 CB GLN A 108 0.249 7.842 6.595 1.00 0.00 C ATOM 1597 CG GLN A 108 -0.666 8.510 5.567 1.00 0.00 C ATOM 1598 CD GLN A 108 -0.370 10.007 5.461 1.00 0.00 C ATOM 1599 OE1 GLN A 108 0.572 10.523 6.041 1.00 0.00 O ATOM 1600 NE2 GLN A 108 -1.223 10.674 4.689 1.00 0.00 N ATOM 0 H GLN A 108 -0.901 6.011 7.871 1.00 0.00 H new ATOM 0 HA GLN A 108 0.217 6.210 5.226 1.00 0.00 H new ATOM 0 HB2 GLN A 108 -0.171 7.962 7.593 1.00 0.00 H new ATOM 0 HB3 GLN A 108 1.221 8.335 6.597 1.00 0.00 H new ATOM 0 HG2 GLN A 108 -0.530 8.039 4.593 1.00 0.00 H new ATOM 0 HG3 GLN A 108 -1.708 8.361 5.851 1.00 0.00 H new ATOM 0 HE21 GLN A 108 -1.990 10.181 4.232 1.00 0.00 H new ATOM 0 HE22 GLN A 108 -1.110 11.679 4.553 1.00 0.00 H new ATOM 1609 N TYR A 109 2.416 5.179 5.597 1.00 0.00 N ATOM 1610 CA TYR A 109 3.776 4.684 5.721 1.00 0.00 C ATOM 1611 C TYR A 109 4.791 5.798 5.455 1.00 0.00 C ATOM 1612 O TYR A 109 4.661 6.542 4.485 1.00 0.00 O ATOM 1613 CB TYR A 109 3.931 3.603 4.650 1.00 0.00 C ATOM 1614 CG TYR A 109 5.221 2.790 4.768 1.00 0.00 C ATOM 1615 CD1 TYR A 109 6.445 3.426 4.719 1.00 0.00 C ATOM 1616 CD2 TYR A 109 5.161 1.419 4.923 1.00 0.00 C ATOM 1617 CE1 TYR A 109 7.659 2.660 4.831 1.00 0.00 C ATOM 1618 CE2 TYR A 109 6.375 0.654 5.035 1.00 0.00 C ATOM 1619 CZ TYR A 109 7.565 1.312 4.983 1.00 0.00 C ATOM 1620 OH TYR A 109 8.712 0.588 5.088 1.00 0.00 O ATOM 0 H TYR A 109 1.946 4.922 4.729 1.00 0.00 H new ATOM 0 HA TYR A 109 3.956 4.304 6.727 1.00 0.00 H new ATOM 0 HB2 TYR A 109 3.080 2.925 4.707 1.00 0.00 H new ATOM 0 HB3 TYR A 109 3.899 4.073 3.667 1.00 0.00 H new ATOM 0 HD1 TYR A 109 6.492 4.498 4.597 1.00 0.00 H new ATOM 0 HD2 TYR A 109 4.203 0.921 4.960 1.00 0.00 H new ATOM 0 HE1 TYR A 109 8.623 3.145 4.795 1.00 0.00 H new ATOM 0 HE2 TYR A 109 6.342 -0.419 5.158 1.00 0.00 H new ATOM 0 HH TYR A 109 8.491 -0.361 5.193 1.00 0.00 H new ATOM 1630 N LEU A 110 5.779 5.876 6.334 1.00 0.00 N ATOM 1631 CA LEU A 110 6.816 6.886 6.207 1.00 0.00 C ATOM 1632 C LEU A 110 8.187 6.229 6.383 1.00 0.00 C ATOM 1633 O LEU A 110 8.475 5.660 7.435 1.00 0.00 O ATOM 1634 CB LEU A 110 6.559 8.043 7.175 1.00 0.00 C ATOM 1635 CG LEU A 110 6.196 9.384 6.536 1.00 0.00 C ATOM 1636 CD1 LEU A 110 6.203 10.507 7.575 1.00 0.00 C ATOM 1637 CD2 LEU A 110 7.113 9.694 5.351 1.00 0.00 C ATOM 0 H LEU A 110 5.884 5.256 7.137 1.00 0.00 H new ATOM 0 HA LEU A 110 6.799 7.326 5.210 1.00 0.00 H new ATOM 0 HB2 LEU A 110 5.753 7.754 7.849 1.00 0.00 H new ATOM 0 HB3 LEU A 110 7.450 8.184 7.786 1.00 0.00 H new ATOM 0 HG LEU A 110 5.180 9.312 6.147 1.00 0.00 H new ATOM 0 HD11 LEU A 110 5.942 11.449 7.094 1.00 0.00 H new ATOM 0 HD12 LEU A 110 5.476 10.284 8.356 1.00 0.00 H new ATOM 0 HD13 LEU A 110 7.196 10.588 8.016 1.00 0.00 H new ATOM 0 HD21 LEU A 110 6.833 10.653 4.915 1.00 0.00 H new ATOM 0 HD22 LEU A 110 8.147 9.739 5.693 1.00 0.00 H new ATOM 0 HD23 LEU A 110 7.013 8.911 4.599 1.00 0.00 H new