USER MOD reduce.3.24.130724 H: found=0, std=0, add=749, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 750 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 73 THR OG1 : rot 86:sc= 0.134 USER MOD Set 1.2: A 92 HIS : no HD1:sc= -0.153 X(o=-0.02,f=-0.42) USER MOD Set 2.1: A 30 GLN : amide:sc= -2.32! K(o=-2.1!,f=-0.93) USER MOD Set 2.2: A 34 CYS SG : rot 91:sc= 0.229 USER MOD Set 3.1: A 19 GLN : amide:sc= -4.44! C(o=-3.5!,f=-8!) USER MOD Set 3.2: A 20 SER OG : rot 93:sc= 0.931 USER MOD Single : A 24 HIS : no HD1:sc= -0.131 X(o=-0.13,f=-0.44) USER MOD Single : A 27 MET CE :methyl -166:sc= -0.74 (180deg=-1.05) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 43 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 44 GLN : amide:sc= 0 X(o=0,f=-0.5) USER MOD Single : A 45 THR OG1 : rot -170:sc= 0 USER MOD Single : A 46 GLN : amide:sc= 0.264 K(o=0.26,f=-0.77) USER MOD Single : A 47 LYS NZ :NH3+ 149:sc= -1.96 (180deg=-2.88!) USER MOD Single : A 54 ASN : amide:sc= -7.77! C(o=-7.8!,f=-18!) USER MOD Single : A 56 THR OG1 : rot 91:sc= 1.19 USER MOD Single : A 58 GLN : amide:sc= -1.93! C(o=-1.9!,f=-4.3!) USER MOD Single : A 63 ASN : amide:sc= -0.654 K(o=-0.65,f=-3.7!) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 GLN : amide:sc= -2.38! X(o=-2.4!,f=-2.5) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 GLN : amide:sc= -0.225 X(o=-0.22,f=0) USER MOD Single : A 76 GLN : amide:sc= -7.9! C(o=-7.9!,f=-5.1!) USER MOD Single : A 81 TYR OH : rot -115:sc= 0.175 USER MOD Single : A 82 ASN : amide:sc= -6.13! C(o=-6.1!,f=-5.6!) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 HIS : no HD1:sc= -0.172 K(o=-0.17,f=-0.94) USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 98 HIS : no HD1:sc= -4.1! K(o=-4.1!,f=-2.2) USER MOD Single : A 102 ASN : amide:sc= -3.62! C(o=-3.6!,f=-8.3!) USER MOD ----------------------------------------------------------------- ATOM 128 N VAL A 13 -2.369 4.632 -17.383 1.00 0.00 N ATOM 129 CA VAL A 13 -2.109 4.397 -15.968 1.00 0.00 C ATOM 130 C VAL A 13 -3.272 4.879 -15.108 1.00 0.00 C ATOM 131 O VAL A 13 -3.744 4.161 -14.227 1.00 0.00 O ATOM 132 CB VAL A 13 -0.819 5.102 -15.509 1.00 0.00 C ATOM 133 CG1 VAL A 13 -0.601 4.900 -14.018 1.00 0.00 C ATOM 134 CG2 VAL A 13 0.375 4.596 -16.305 1.00 0.00 C ATOM 0 HA VAL A 13 -1.990 3.321 -15.843 1.00 0.00 H new ATOM 0 HB VAL A 13 -0.924 6.171 -15.694 1.00 0.00 H new ATOM 0 HG11 VAL A 13 0.315 5.405 -13.712 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -1.445 5.315 -13.467 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -0.516 3.835 -13.804 1.00 0.00 H new ATOM 0 HG21 VAL A 13 1.279 5.104 -15.968 1.00 0.00 H new ATOM 0 HG22 VAL A 13 0.485 3.522 -16.153 1.00 0.00 H new ATOM 0 HG23 VAL A 13 0.218 4.799 -17.364 1.00 0.00 H new ATOM 144 N GLU A 14 -3.729 6.099 -15.371 1.00 0.00 N ATOM 145 CA GLU A 14 -4.837 6.677 -14.620 1.00 0.00 C ATOM 146 C GLU A 14 -6.071 5.782 -14.695 1.00 0.00 C ATOM 147 O GLU A 14 -6.600 5.350 -13.672 1.00 0.00 O ATOM 148 CB GLU A 14 -5.172 8.071 -15.154 1.00 0.00 C ATOM 149 CG GLU A 14 -4.091 9.104 -14.881 1.00 0.00 C ATOM 150 CD GLU A 14 -4.598 10.527 -15.013 1.00 0.00 C ATOM 151 OE1 GLU A 14 -5.435 10.778 -15.905 1.00 0.00 O ATOM 152 OE2 GLU A 14 -4.157 11.389 -14.224 1.00 0.00 O ATOM 0 H GLU A 14 -3.349 6.706 -16.098 1.00 0.00 H new ATOM 0 HA GLU A 14 -4.531 6.759 -13.577 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -5.339 8.008 -16.229 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -6.106 8.408 -14.705 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -3.696 8.955 -13.876 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -3.264 8.951 -15.574 1.00 0.00 H new ATOM 159 N GLY A 15 -6.524 5.509 -15.915 1.00 0.00 N ATOM 160 CA GLY A 15 -7.691 4.667 -16.101 1.00 0.00 C ATOM 161 C GLY A 15 -7.775 3.556 -15.074 1.00 0.00 C ATOM 162 O GLY A 15 -8.825 3.338 -14.469 1.00 0.00 O ATOM 0 H GLY A 15 -6.104 5.856 -16.777 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -8.590 5.280 -16.043 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -7.666 4.232 -17.100 1.00 0.00 H new ATOM 166 N ALA A 16 -6.667 2.849 -14.877 1.00 0.00 N ATOM 167 CA ALA A 16 -6.620 1.755 -13.916 1.00 0.00 C ATOM 168 C ALA A 16 -7.339 2.127 -12.624 1.00 0.00 C ATOM 169 O ALA A 16 -8.265 1.438 -12.198 1.00 0.00 O ATOM 170 CB ALA A 16 -5.177 1.368 -13.626 1.00 0.00 C ATOM 0 H ALA A 16 -5.790 3.015 -15.371 1.00 0.00 H new ATOM 0 HA ALA A 16 -7.134 0.899 -14.353 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -5.157 0.550 -12.906 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -4.693 1.051 -14.550 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -4.646 2.226 -13.214 1.00 0.00 H new ATOM 176 N ALA A 17 -6.905 3.220 -12.005 1.00 0.00 N ATOM 177 CA ALA A 17 -7.509 3.684 -10.762 1.00 0.00 C ATOM 178 C ALA A 17 -9.004 3.383 -10.731 1.00 0.00 C ATOM 179 O ALA A 17 -9.570 3.106 -9.674 1.00 0.00 O ATOM 180 CB ALA A 17 -7.266 5.175 -10.581 1.00 0.00 C ATOM 0 H ALA A 17 -6.138 3.800 -12.344 1.00 0.00 H new ATOM 0 HA ALA A 17 -7.040 3.147 -9.938 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -7.723 5.508 -9.649 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -6.194 5.368 -10.549 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -7.707 5.720 -11.416 1.00 0.00 H new ATOM 186 N PHE A 18 -9.638 3.438 -11.898 1.00 0.00 N ATOM 187 CA PHE A 18 -11.068 3.173 -12.004 1.00 0.00 C ATOM 188 C PHE A 18 -11.474 2.012 -11.101 1.00 0.00 C ATOM 189 O PHE A 18 -12.385 2.138 -10.284 1.00 0.00 O ATOM 190 CB PHE A 18 -11.443 2.861 -13.455 1.00 0.00 C ATOM 191 CG PHE A 18 -12.727 2.093 -13.589 1.00 0.00 C ATOM 192 CD1 PHE A 18 -13.946 2.708 -13.356 1.00 0.00 C ATOM 193 CD2 PHE A 18 -12.714 0.755 -13.950 1.00 0.00 C ATOM 194 CE1 PHE A 18 -15.128 2.003 -13.479 1.00 0.00 C ATOM 195 CE2 PHE A 18 -13.893 0.044 -14.074 1.00 0.00 C ATOM 196 CZ PHE A 18 -15.102 0.670 -13.839 1.00 0.00 C ATOM 0 H PHE A 18 -9.184 3.664 -12.783 1.00 0.00 H new ATOM 0 HA PHE A 18 -11.603 4.066 -11.681 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -11.528 3.796 -14.009 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -10.637 2.290 -13.916 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -13.973 3.750 -13.075 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -11.771 0.262 -14.137 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -16.072 2.494 -13.294 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -13.869 -0.999 -14.354 1.00 0.00 H new ATOM 0 HZ PHE A 18 -16.025 0.118 -13.937 1.00 0.00 H new ATOM 206 N GLN A 19 -10.791 0.882 -11.256 1.00 0.00 N ATOM 207 CA GLN A 19 -11.081 -0.302 -10.456 1.00 0.00 C ATOM 208 C GLN A 19 -11.410 0.081 -9.017 1.00 0.00 C ATOM 209 O GLN A 19 -12.304 -0.496 -8.399 1.00 0.00 O ATOM 210 CB GLN A 19 -9.893 -1.265 -10.482 1.00 0.00 C ATOM 211 CG GLN A 19 -8.582 -0.625 -10.055 1.00 0.00 C ATOM 212 CD GLN A 19 -8.308 -0.789 -8.573 1.00 0.00 C ATOM 213 OE1 GLN A 19 -7.969 0.173 -7.882 1.00 0.00 O ATOM 214 NE2 GLN A 19 -8.454 -2.011 -8.075 1.00 0.00 N ATOM 0 H GLN A 19 -10.033 0.762 -11.928 1.00 0.00 H new ATOM 0 HA GLN A 19 -11.950 -0.798 -10.888 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -10.106 -2.109 -9.826 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -9.781 -1.664 -11.490 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -7.764 -1.068 -10.623 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -8.603 0.437 -10.301 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -8.736 -2.779 -8.684 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -8.284 -2.182 -7.084 1.00 0.00 H new ATOM 223 N SER A 20 -10.680 1.059 -8.489 1.00 0.00 N ATOM 224 CA SER A 20 -10.891 1.516 -7.120 1.00 0.00 C ATOM 225 C SER A 20 -11.744 2.781 -7.096 1.00 0.00 C ATOM 226 O SER A 20 -11.681 3.603 -8.009 1.00 0.00 O ATOM 227 CB SER A 20 -9.549 1.780 -6.435 1.00 0.00 C ATOM 228 OG SER A 20 -9.084 0.623 -5.761 1.00 0.00 O ATOM 0 H SER A 20 -9.938 1.550 -8.988 1.00 0.00 H new ATOM 0 HA SER A 20 -11.419 0.731 -6.578 1.00 0.00 H new ATOM 0 HB2 SER A 20 -8.814 2.093 -7.177 1.00 0.00 H new ATOM 0 HB3 SER A 20 -9.655 2.600 -5.725 1.00 0.00 H new ATOM 0 HG SER A 20 -8.493 0.114 -6.354 1.00 0.00 H new ATOM 234 N ARG A 21 -12.542 2.928 -6.043 1.00 0.00 N ATOM 235 CA ARG A 21 -13.410 4.091 -5.899 1.00 0.00 C ATOM 236 C ARG A 21 -12.692 5.216 -5.157 1.00 0.00 C ATOM 237 O ARG A 21 -13.279 5.885 -4.306 1.00 0.00 O ATOM 238 CB ARG A 21 -14.690 3.710 -5.153 1.00 0.00 C ATOM 239 CG ARG A 21 -15.702 2.975 -6.017 1.00 0.00 C ATOM 240 CD ARG A 21 -15.490 1.470 -5.966 1.00 0.00 C ATOM 241 NE ARG A 21 -15.640 0.943 -4.612 1.00 0.00 N ATOM 242 CZ ARG A 21 -15.886 -0.335 -4.344 1.00 0.00 C ATOM 243 NH1 ARG A 21 -16.008 -1.211 -5.332 1.00 0.00 N ATOM 244 NH2 ARG A 21 -16.009 -0.739 -3.086 1.00 0.00 N ATOM 0 H ARG A 21 -12.605 2.257 -5.278 1.00 0.00 H new ATOM 0 HA ARG A 21 -13.671 4.444 -6.897 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -14.430 3.084 -4.300 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -15.152 4.614 -4.756 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -16.711 3.213 -5.680 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -15.621 3.320 -7.048 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -16.205 0.980 -6.627 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -14.494 1.231 -6.340 1.00 0.00 H new ATOM 0 HE ARG A 21 -15.551 1.591 -3.830 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -15.913 -0.904 -6.300 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -16.197 -2.192 -5.124 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -15.915 -0.068 -2.323 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -16.198 -1.720 -2.882 1.00 0.00 H new ATOM 258 N LEU A 22 -11.421 5.418 -5.486 1.00 0.00 N ATOM 259 CA LEU A 22 -10.623 6.461 -4.852 1.00 0.00 C ATOM 260 C LEU A 22 -9.993 7.376 -5.897 1.00 0.00 C ATOM 261 O LEU A 22 -9.663 6.957 -7.006 1.00 0.00 O ATOM 262 CB LEU A 22 -9.532 5.836 -3.980 1.00 0.00 C ATOM 263 CG LEU A 22 -8.387 5.152 -4.726 1.00 0.00 C ATOM 264 CD1 LEU A 22 -7.296 6.156 -5.067 1.00 0.00 C ATOM 265 CD2 LEU A 22 -7.821 4.007 -3.899 1.00 0.00 C ATOM 0 H LEU A 22 -10.921 4.873 -6.188 1.00 0.00 H new ATOM 0 HA LEU A 22 -11.284 7.059 -4.224 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -9.111 6.616 -3.345 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -9.997 5.104 -3.320 1.00 0.00 H new ATOM 0 HG LEU A 22 -8.779 4.743 -5.657 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -6.489 5.650 -5.598 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -7.709 6.942 -5.699 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -6.906 6.596 -4.149 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -7.007 3.531 -4.446 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -7.445 4.394 -2.952 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -8.605 3.275 -3.707 1.00 0.00 H new ATOM 277 N PRO A 23 -9.820 8.656 -5.535 1.00 0.00 N ATOM 278 CA PRO A 23 -9.226 9.657 -6.427 1.00 0.00 C ATOM 279 C PRO A 23 -7.737 9.418 -6.656 1.00 0.00 C ATOM 280 O PRO A 23 -6.993 9.130 -5.718 1.00 0.00 O ATOM 281 CB PRO A 23 -9.447 10.974 -5.679 1.00 0.00 C ATOM 282 CG PRO A 23 -9.545 10.583 -4.245 1.00 0.00 C ATOM 283 CD PRO A 23 -10.191 9.225 -4.229 1.00 0.00 C ATOM 0 HA PRO A 23 -9.674 9.635 -7.421 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -8.622 11.667 -5.845 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -10.355 11.473 -6.016 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -8.559 10.552 -3.781 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -10.139 11.304 -3.684 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -9.822 8.614 -3.405 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -11.273 9.296 -4.114 1.00 0.00 H new ATOM 291 N HIS A 24 -7.309 9.540 -7.908 1.00 0.00 N ATOM 292 CA HIS A 24 -5.908 9.338 -8.260 1.00 0.00 C ATOM 293 C HIS A 24 -5.097 10.606 -8.010 1.00 0.00 C ATOM 294 O HIS A 24 -3.873 10.557 -7.888 1.00 0.00 O ATOM 295 CB HIS A 24 -5.783 8.920 -9.726 1.00 0.00 C ATOM 296 CG HIS A 24 -6.107 10.018 -10.691 1.00 0.00 C ATOM 297 ND1 HIS A 24 -7.366 10.208 -11.220 1.00 0.00 N ATOM 298 CD2 HIS A 24 -5.327 10.988 -11.223 1.00 0.00 C ATOM 299 CE1 HIS A 24 -7.346 11.247 -12.036 1.00 0.00 C ATOM 300 NE2 HIS A 24 -6.120 11.739 -12.055 1.00 0.00 N ATOM 0 H HIS A 24 -7.912 9.778 -8.696 1.00 0.00 H new ATOM 0 HA HIS A 24 -5.512 8.543 -7.628 1.00 0.00 H new ATOM 0 HB2 HIS A 24 -4.766 8.573 -9.911 1.00 0.00 H new ATOM 0 HB3 HIS A 24 -6.447 8.076 -9.913 1.00 0.00 H new ATOM 0 HD2 HIS A 24 -4.276 11.143 -11.029 1.00 0.00 H new ATOM 0 HE1 HIS A 24 -8.189 11.629 -12.593 1.00 0.00 H new ATOM 0 HE2 HIS A 24 -5.813 12.545 -12.599 1.00 0.00 H new ATOM 309 N ASP A 25 -5.787 11.738 -7.935 1.00 0.00 N ATOM 310 CA ASP A 25 -5.130 13.019 -7.700 1.00 0.00 C ATOM 311 C ASP A 25 -4.919 13.255 -6.207 1.00 0.00 C ATOM 312 O ASP A 25 -3.957 13.907 -5.802 1.00 0.00 O ATOM 313 CB ASP A 25 -5.959 14.158 -8.296 1.00 0.00 C ATOM 314 CG ASP A 25 -5.938 14.157 -9.812 1.00 0.00 C ATOM 315 OD1 ASP A 25 -4.834 14.076 -10.390 1.00 0.00 O ATOM 316 OD2 ASP A 25 -7.026 14.235 -10.420 1.00 0.00 O ATOM 0 H ASP A 25 -6.801 11.795 -8.033 1.00 0.00 H new ATOM 0 HA ASP A 25 -4.156 12.995 -8.188 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -6.989 14.074 -7.950 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -5.577 15.111 -7.931 1.00 0.00 H new ATOM 321 N ARG A 26 -5.825 12.721 -5.395 1.00 0.00 N ATOM 322 CA ARG A 26 -5.740 12.875 -3.948 1.00 0.00 C ATOM 323 C ARG A 26 -5.910 11.530 -3.247 1.00 0.00 C ATOM 324 O ARG A 26 -6.362 10.558 -3.850 1.00 0.00 O ATOM 325 CB ARG A 26 -6.802 13.858 -3.454 1.00 0.00 C ATOM 326 CG ARG A 26 -8.216 13.487 -3.871 1.00 0.00 C ATOM 327 CD ARG A 26 -9.216 14.559 -3.466 1.00 0.00 C ATOM 328 NE ARG A 26 -10.542 14.002 -3.210 1.00 0.00 N ATOM 329 CZ ARG A 26 -10.907 13.481 -2.044 1.00 0.00 C ATOM 330 NH1 ARG A 26 -10.051 13.447 -1.032 1.00 0.00 N ATOM 331 NH2 ARG A 26 -12.131 12.995 -1.888 1.00 0.00 N ATOM 0 H ARG A 26 -6.627 12.178 -5.715 1.00 0.00 H new ATOM 0 HA ARG A 26 -4.752 13.268 -3.708 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -6.756 13.914 -2.366 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -6.569 14.853 -3.834 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -8.252 13.344 -4.951 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -8.494 12.537 -3.414 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -8.858 15.069 -2.572 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -9.284 15.308 -4.255 1.00 0.00 H new ATOM 0 HE ARG A 26 -11.225 14.014 -3.968 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -9.109 13.822 -1.148 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -10.334 13.046 -0.138 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -12.793 13.021 -2.664 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -12.411 12.595 -0.992 1.00 0.00 H new ATOM 345 N MET A 27 -5.545 11.484 -1.970 1.00 0.00 N ATOM 346 CA MET A 27 -5.659 10.259 -1.187 1.00 0.00 C ATOM 347 C MET A 27 -6.962 10.240 -0.393 1.00 0.00 C ATOM 348 O MET A 27 -7.624 11.268 -0.241 1.00 0.00 O ATOM 349 CB MET A 27 -4.468 10.123 -0.237 1.00 0.00 C ATOM 350 CG MET A 27 -3.120 10.200 -0.937 1.00 0.00 C ATOM 351 SD MET A 27 -1.759 10.495 0.207 1.00 0.00 S ATOM 352 CE MET A 27 -1.792 8.985 1.170 1.00 0.00 C ATOM 0 H MET A 27 -5.168 12.280 -1.456 1.00 0.00 H new ATOM 0 HA MET A 27 -5.662 9.415 -1.877 1.00 0.00 H new ATOM 0 HB2 MET A 27 -4.523 10.909 0.516 1.00 0.00 H new ATOM 0 HB3 MET A 27 -4.541 9.172 0.290 1.00 0.00 H new ATOM 0 HG2 MET A 27 -2.941 9.270 -1.476 1.00 0.00 H new ATOM 0 HG3 MET A 27 -3.145 10.998 -1.679 1.00 0.00 H new ATOM 0 HE1 MET A 27 -1.186 9.112 2.067 1.00 0.00 H new ATOM 0 HE2 MET A 27 -2.819 8.758 1.455 1.00 0.00 H new ATOM 0 HE3 MET A 27 -1.391 8.165 0.575 1.00 0.00 H new ATOM 362 N THR A 28 -7.325 9.065 0.112 1.00 0.00 N ATOM 363 CA THR A 28 -8.549 8.913 0.889 1.00 0.00 C ATOM 364 C THR A 28 -8.238 8.649 2.358 1.00 0.00 C ATOM 365 O THR A 28 -7.087 8.419 2.727 1.00 0.00 O ATOM 366 CB THR A 28 -9.419 7.764 0.346 1.00 0.00 C ATOM 367 OG1 THR A 28 -8.713 6.523 0.450 1.00 0.00 O ATOM 368 CG2 THR A 28 -9.803 8.015 -1.105 1.00 0.00 C ATOM 0 H THR A 28 -6.789 8.205 -0.003 1.00 0.00 H new ATOM 0 HA THR A 28 -9.099 9.850 0.799 1.00 0.00 H new ATOM 0 HB THR A 28 -10.330 7.714 0.943 1.00 0.00 H new ATOM 0 HG1 THR A 28 -9.274 5.798 0.104 1.00 0.00 H new ATOM 0 HG21 THR A 28 -10.417 7.190 -1.467 1.00 0.00 H new ATOM 0 HG22 THR A 28 -10.366 8.945 -1.177 1.00 0.00 H new ATOM 0 HG23 THR A 28 -8.901 8.089 -1.712 1.00 0.00 H new ATOM 376 N SER A 29 -9.273 8.684 3.192 1.00 0.00 N ATOM 377 CA SER A 29 -9.110 8.451 4.622 1.00 0.00 C ATOM 378 C SER A 29 -8.249 7.218 4.877 1.00 0.00 C ATOM 379 O SER A 29 -7.421 7.204 5.788 1.00 0.00 O ATOM 380 CB SER A 29 -10.475 8.282 5.292 1.00 0.00 C ATOM 381 OG SER A 29 -11.034 9.538 5.634 1.00 0.00 O ATOM 0 H SER A 29 -10.233 8.871 2.902 1.00 0.00 H new ATOM 0 HA SER A 29 -8.608 9.318 5.051 1.00 0.00 H new ATOM 0 HB2 SER A 29 -11.150 7.751 4.621 1.00 0.00 H new ATOM 0 HB3 SER A 29 -10.370 7.671 6.188 1.00 0.00 H new ATOM 0 HG SER A 29 -11.907 9.403 6.059 1.00 0.00 H new ATOM 387 N GLN A 30 -8.452 6.184 4.066 1.00 0.00 N ATOM 388 CA GLN A 30 -7.695 4.946 4.204 1.00 0.00 C ATOM 389 C GLN A 30 -6.217 5.175 3.908 1.00 0.00 C ATOM 390 O GLN A 30 -5.367 5.018 4.784 1.00 0.00 O ATOM 391 CB GLN A 30 -8.255 3.874 3.268 1.00 0.00 C ATOM 392 CG GLN A 30 -8.007 2.454 3.750 1.00 0.00 C ATOM 393 CD GLN A 30 -6.568 2.223 4.169 1.00 0.00 C ATOM 394 OE1 GLN A 30 -6.298 1.788 5.289 1.00 0.00 O ATOM 395 NE2 GLN A 30 -5.636 2.513 3.270 1.00 0.00 N ATOM 0 H GLN A 30 -9.134 6.180 3.307 1.00 0.00 H new ATOM 0 HA GLN A 30 -7.791 4.604 5.235 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -9.328 4.028 3.154 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -7.809 3.997 2.281 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -8.665 2.240 4.592 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -8.267 1.754 2.956 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -5.905 2.871 2.354 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -4.650 2.378 3.495 1.00 0.00 H new ATOM 404 N GLU A 31 -5.918 5.547 2.667 1.00 0.00 N ATOM 405 CA GLU A 31 -4.541 5.796 2.256 1.00 0.00 C ATOM 406 C GLU A 31 -3.842 6.734 3.235 1.00 0.00 C ATOM 407 O GLU A 31 -2.649 6.592 3.503 1.00 0.00 O ATOM 408 CB GLU A 31 -4.507 6.394 0.847 1.00 0.00 C ATOM 409 CG GLU A 31 -4.988 5.438 -0.231 1.00 0.00 C ATOM 410 CD GLU A 31 -4.960 6.058 -1.615 1.00 0.00 C ATOM 411 OE1 GLU A 31 -5.182 7.283 -1.720 1.00 0.00 O ATOM 412 OE2 GLU A 31 -4.716 5.320 -2.592 1.00 0.00 O ATOM 0 H GLU A 31 -6.610 5.682 1.930 1.00 0.00 H new ATOM 0 HA GLU A 31 -4.012 4.843 2.252 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -5.125 7.291 0.827 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -3.488 6.704 0.617 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -4.363 4.545 -0.224 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -6.004 5.118 -0.001 1.00 0.00 H new ATOM 419 N ALA A 32 -4.594 7.693 3.766 1.00 0.00 N ATOM 420 CA ALA A 32 -4.047 8.654 4.717 1.00 0.00 C ATOM 421 C ALA A 32 -3.613 7.964 6.006 1.00 0.00 C ATOM 422 O ALA A 32 -2.612 8.340 6.615 1.00 0.00 O ATOM 423 CB ALA A 32 -5.070 9.740 5.016 1.00 0.00 C ATOM 0 H ALA A 32 -5.583 7.825 3.554 1.00 0.00 H new ATOM 0 HA ALA A 32 -3.167 9.113 4.267 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -4.649 10.451 5.727 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -5.329 10.260 4.094 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -5.966 9.288 5.442 1.00 0.00 H new ATOM 429 N ALA A 33 -4.372 6.953 6.416 1.00 0.00 N ATOM 430 CA ALA A 33 -4.065 6.211 7.631 1.00 0.00 C ATOM 431 C ALA A 33 -2.855 5.305 7.430 1.00 0.00 C ATOM 432 O ALA A 33 -1.973 5.231 8.287 1.00 0.00 O ATOM 433 CB ALA A 33 -5.271 5.394 8.071 1.00 0.00 C ATOM 0 H ALA A 33 -5.205 6.629 5.923 1.00 0.00 H new ATOM 0 HA ALA A 33 -3.822 6.930 8.414 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -5.026 4.845 8.980 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -6.111 6.061 8.265 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -5.541 4.690 7.284 1.00 0.00 H new ATOM 439 N CYS A 34 -2.819 4.617 6.294 1.00 0.00 N ATOM 440 CA CYS A 34 -1.717 3.714 5.981 1.00 0.00 C ATOM 441 C CYS A 34 -0.442 4.496 5.680 1.00 0.00 C ATOM 442 O CYS A 34 0.649 4.105 6.094 1.00 0.00 O ATOM 443 CB CYS A 34 -2.080 2.828 4.788 1.00 0.00 C ATOM 444 SG CYS A 34 -2.883 1.273 5.240 1.00 0.00 S ATOM 0 H CYS A 34 -3.540 4.667 5.574 1.00 0.00 H new ATOM 0 HA CYS A 34 -1.538 3.083 6.852 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -2.740 3.385 4.123 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -1.173 2.606 4.225 1.00 0.00 H new ATOM 0 HG CYS A 34 -4.172 1.442 5.268 1.00 0.00 H new ATOM 450 N PHE A 35 -0.589 5.601 4.957 1.00 0.00 N ATOM 451 CA PHE A 35 0.551 6.437 4.599 1.00 0.00 C ATOM 452 C PHE A 35 0.362 7.863 5.107 1.00 0.00 C ATOM 453 O PHE A 35 -0.146 8.737 4.404 1.00 0.00 O ATOM 454 CB PHE A 35 0.747 6.445 3.082 1.00 0.00 C ATOM 455 CG PHE A 35 0.749 5.074 2.469 1.00 0.00 C ATOM 456 CD1 PHE A 35 -0.413 4.321 2.419 1.00 0.00 C ATOM 457 CD2 PHE A 35 1.914 4.537 1.944 1.00 0.00 C ATOM 458 CE1 PHE A 35 -0.413 3.059 1.857 1.00 0.00 C ATOM 459 CE2 PHE A 35 1.919 3.275 1.380 1.00 0.00 C ATOM 460 CZ PHE A 35 0.754 2.536 1.336 1.00 0.00 C ATOM 0 H PHE A 35 -1.486 5.938 4.608 1.00 0.00 H new ATOM 0 HA PHE A 35 1.440 6.018 5.071 1.00 0.00 H new ATOM 0 HB2 PHE A 35 -0.046 7.037 2.625 1.00 0.00 H new ATOM 0 HB3 PHE A 35 1.690 6.940 2.848 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -1.329 4.725 2.824 1.00 0.00 H new ATOM 0 HD2 PHE A 35 2.828 5.111 1.976 1.00 0.00 H new ATOM 0 HE1 PHE A 35 -1.325 2.482 1.825 1.00 0.00 H new ATOM 0 HE2 PHE A 35 2.833 2.868 0.974 1.00 0.00 H new ATOM 0 HZ PHE A 35 0.755 1.550 0.895 1.00 0.00 H new ATOM 470 N PRO A 36 0.778 8.105 6.359 1.00 0.00 N ATOM 471 CA PRO A 36 0.665 9.423 6.990 1.00 0.00 C ATOM 472 C PRO A 36 1.613 10.445 6.372 1.00 0.00 C ATOM 473 O PRO A 36 1.224 11.581 6.099 1.00 0.00 O ATOM 474 CB PRO A 36 1.046 9.153 8.447 1.00 0.00 C ATOM 475 CG PRO A 36 1.913 7.943 8.394 1.00 0.00 C ATOM 476 CD PRO A 36 1.393 7.111 7.254 1.00 0.00 C ATOM 0 HA PRO A 36 -0.331 9.849 6.868 1.00 0.00 H new ATOM 0 HB2 PRO A 36 1.576 10.001 8.881 1.00 0.00 H new ATOM 0 HB3 PRO A 36 0.163 8.980 9.062 1.00 0.00 H new ATOM 0 HG2 PRO A 36 2.956 8.217 8.234 1.00 0.00 H new ATOM 0 HG3 PRO A 36 1.869 7.390 9.332 1.00 0.00 H new ATOM 0 HD2 PRO A 36 2.195 6.564 6.757 1.00 0.00 H new ATOM 0 HD3 PRO A 36 0.667 6.373 7.594 1.00 0.00 H new ATOM 484 N ASP A 37 2.857 10.034 6.153 1.00 0.00 N ATOM 485 CA ASP A 37 3.861 10.914 5.565 1.00 0.00 C ATOM 486 C ASP A 37 3.402 11.428 4.204 1.00 0.00 C ATOM 487 O ASP A 37 3.585 12.602 3.880 1.00 0.00 O ATOM 488 CB ASP A 37 5.194 10.179 5.424 1.00 0.00 C ATOM 489 CG ASP A 37 5.758 9.741 6.762 1.00 0.00 C ATOM 490 OD1 ASP A 37 4.967 9.572 7.713 1.00 0.00 O ATOM 491 OD2 ASP A 37 6.991 9.567 6.857 1.00 0.00 O ATOM 0 H ASP A 37 3.195 9.097 6.374 1.00 0.00 H new ATOM 0 HA ASP A 37 3.995 11.768 6.229 1.00 0.00 H new ATOM 0 HB2 ASP A 37 5.058 9.305 4.787 1.00 0.00 H new ATOM 0 HB3 ASP A 37 5.913 10.829 4.925 1.00 0.00 H new ATOM 496 N ILE A 38 2.808 10.542 3.412 1.00 0.00 N ATOM 497 CA ILE A 38 2.324 10.907 2.087 1.00 0.00 C ATOM 498 C ILE A 38 1.201 11.935 2.175 1.00 0.00 C ATOM 499 O ILE A 38 1.277 13.006 1.572 1.00 0.00 O ATOM 500 CB ILE A 38 1.818 9.675 1.313 1.00 0.00 C ATOM 501 CG1 ILE A 38 2.916 8.612 1.229 1.00 0.00 C ATOM 502 CG2 ILE A 38 1.355 10.077 -0.079 1.00 0.00 C ATOM 503 CD1 ILE A 38 4.063 8.999 0.323 1.00 0.00 C ATOM 0 H ILE A 38 2.650 9.567 3.665 1.00 0.00 H new ATOM 0 HA ILE A 38 3.169 11.341 1.551 1.00 0.00 H new ATOM 0 HB ILE A 38 0.968 9.252 1.849 1.00 0.00 H new ATOM 0 HG12 ILE A 38 3.303 8.421 2.230 1.00 0.00 H new ATOM 0 HG13 ILE A 38 2.480 7.679 0.872 1.00 0.00 H new ATOM 0 HG21 ILE A 38 1.000 9.196 -0.613 1.00 0.00 H new ATOM 0 HG22 ILE A 38 0.545 10.802 0.002 1.00 0.00 H new ATOM 0 HG23 ILE A 38 2.187 10.522 -0.625 1.00 0.00 H new ATOM 0 HD11 ILE A 38 4.804 8.199 0.312 1.00 0.00 H new ATOM 0 HD12 ILE A 38 3.689 9.162 -0.688 1.00 0.00 H new ATOM 0 HD13 ILE A 38 4.524 9.915 0.691 1.00 0.00 H new ATOM 515 N ILE A 39 0.160 11.602 2.930 1.00 0.00 N ATOM 516 CA ILE A 39 -0.978 12.497 3.100 1.00 0.00 C ATOM 517 C ILE A 39 -0.543 13.831 3.696 1.00 0.00 C ATOM 518 O ILE A 39 -1.104 14.879 3.374 1.00 0.00 O ATOM 519 CB ILE A 39 -2.057 11.871 4.003 1.00 0.00 C ATOM 520 CG1 ILE A 39 -3.250 12.819 4.140 1.00 0.00 C ATOM 521 CG2 ILE A 39 -1.477 11.540 5.370 1.00 0.00 C ATOM 522 CD1 ILE A 39 -4.217 12.745 2.979 1.00 0.00 C ATOM 0 H ILE A 39 0.081 10.719 3.434 1.00 0.00 H new ATOM 0 HA ILE A 39 -1.399 12.664 2.109 1.00 0.00 H new ATOM 0 HB ILE A 39 -2.403 10.945 3.543 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -3.783 12.588 5.062 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -2.883 13.841 4.232 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -2.252 11.098 5.997 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -0.656 10.832 5.255 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -1.107 12.452 5.839 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -5.037 13.444 3.144 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -3.698 13.005 2.056 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -4.613 11.733 2.899 1.00 0.00 H new ATOM 534 N SER A 40 0.461 13.786 4.566 1.00 0.00 N ATOM 535 CA SER A 40 0.970 14.991 5.209 1.00 0.00 C ATOM 536 C SER A 40 2.169 15.548 4.447 1.00 0.00 C ATOM 537 O SER A 40 3.086 16.116 5.040 1.00 0.00 O ATOM 538 CB SER A 40 1.364 14.695 6.657 1.00 0.00 C ATOM 539 OG SER A 40 1.236 15.850 7.468 1.00 0.00 O ATOM 0 H SER A 40 0.938 12.928 4.842 1.00 0.00 H new ATOM 0 HA SER A 40 0.177 15.739 5.202 1.00 0.00 H new ATOM 0 HB2 SER A 40 0.735 13.898 7.052 1.00 0.00 H new ATOM 0 HB3 SER A 40 2.392 14.336 6.691 1.00 0.00 H new ATOM 0 HG SER A 40 1.492 15.633 8.389 1.00 0.00 H new ATOM 545 N GLY A 41 2.155 15.380 3.128 1.00 0.00 N ATOM 546 CA GLY A 41 3.246 15.870 2.306 1.00 0.00 C ATOM 547 C GLY A 41 2.766 16.761 1.177 1.00 0.00 C ATOM 548 O GLY A 41 1.572 17.024 1.030 1.00 0.00 O ATOM 0 H GLY A 41 1.408 14.913 2.614 1.00 0.00 H new ATOM 0 HA2 GLY A 41 3.946 16.425 2.930 1.00 0.00 H new ATOM 0 HA3 GLY A 41 3.792 15.023 1.890 1.00 0.00 H new ATOM 552 N PRO A 42 3.711 17.242 0.356 1.00 0.00 N ATOM 553 CA PRO A 42 3.402 18.117 -0.779 1.00 0.00 C ATOM 554 C PRO A 42 2.668 17.381 -1.895 1.00 0.00 C ATOM 555 O PRO A 42 2.907 16.197 -2.131 1.00 0.00 O ATOM 556 CB PRO A 42 4.781 18.576 -1.259 1.00 0.00 C ATOM 557 CG PRO A 42 5.713 17.500 -0.819 1.00 0.00 C ATOM 558 CD PRO A 42 5.153 16.970 0.472 1.00 0.00 C ATOM 0 HA PRO A 42 2.740 18.935 -0.494 1.00 0.00 H new ATOM 0 HB2 PRO A 42 4.802 18.700 -2.342 1.00 0.00 H new ATOM 0 HB3 PRO A 42 5.052 19.537 -0.823 1.00 0.00 H new ATOM 0 HG2 PRO A 42 5.780 16.711 -1.568 1.00 0.00 H new ATOM 0 HG3 PRO A 42 6.721 17.891 -0.676 1.00 0.00 H new ATOM 0 HD2 PRO A 42 5.353 15.905 0.589 1.00 0.00 H new ATOM 0 HD3 PRO A 42 5.589 17.473 1.335 1.00 0.00 H new ATOM 566 N GLN A 43 1.775 18.090 -2.578 1.00 0.00 N ATOM 567 CA GLN A 43 1.007 17.502 -3.669 1.00 0.00 C ATOM 568 C GLN A 43 1.853 16.507 -4.457 1.00 0.00 C ATOM 569 O GLN A 43 1.382 15.431 -4.822 1.00 0.00 O ATOM 570 CB GLN A 43 0.485 18.597 -4.601 1.00 0.00 C ATOM 571 CG GLN A 43 1.581 19.300 -5.386 1.00 0.00 C ATOM 572 CD GLN A 43 1.192 20.706 -5.800 1.00 0.00 C ATOM 573 OE1 GLN A 43 0.499 20.903 -6.798 1.00 0.00 O ATOM 574 NE2 GLN A 43 1.637 21.694 -5.032 1.00 0.00 N ATOM 0 H GLN A 43 1.566 19.071 -2.395 1.00 0.00 H new ATOM 0 HA GLN A 43 0.160 16.968 -3.237 1.00 0.00 H new ATOM 0 HB2 GLN A 43 -0.227 18.159 -5.300 1.00 0.00 H new ATOM 0 HB3 GLN A 43 -0.059 19.335 -4.012 1.00 0.00 H new ATOM 0 HG2 GLN A 43 2.487 19.341 -4.781 1.00 0.00 H new ATOM 0 HG3 GLN A 43 1.818 18.716 -6.275 1.00 0.00 H new ATOM 0 HE21 GLN A 43 2.209 21.486 -4.214 1.00 0.00 H new ATOM 0 HE22 GLN A 43 1.407 22.661 -5.261 1.00 0.00 H new ATOM 583 N GLN A 44 3.103 16.876 -4.716 1.00 0.00 N ATOM 584 CA GLN A 44 4.014 16.016 -5.461 1.00 0.00 C ATOM 585 C GLN A 44 4.104 14.634 -4.822 1.00 0.00 C ATOM 586 O GLN A 44 3.818 13.622 -5.463 1.00 0.00 O ATOM 587 CB GLN A 44 5.405 16.650 -5.532 1.00 0.00 C ATOM 588 CG GLN A 44 6.322 15.991 -6.549 1.00 0.00 C ATOM 589 CD GLN A 44 7.660 16.695 -6.670 1.00 0.00 C ATOM 590 OE1 GLN A 44 7.734 17.924 -6.633 1.00 0.00 O ATOM 591 NE2 GLN A 44 8.727 15.918 -6.816 1.00 0.00 N ATOM 0 H GLN A 44 3.508 17.765 -4.421 1.00 0.00 H new ATOM 0 HA GLN A 44 3.622 15.904 -6.472 1.00 0.00 H new ATOM 0 HB2 GLN A 44 5.302 17.707 -5.779 1.00 0.00 H new ATOM 0 HB3 GLN A 44 5.870 16.597 -4.548 1.00 0.00 H new ATOM 0 HG2 GLN A 44 6.487 14.952 -6.264 1.00 0.00 H new ATOM 0 HG3 GLN A 44 5.831 15.981 -7.522 1.00 0.00 H new ATOM 0 HE21 GLN A 44 8.620 14.904 -6.841 1.00 0.00 H new ATOM 0 HE22 GLN A 44 9.654 16.335 -6.903 1.00 0.00 H new ATOM 600 N THR A 45 4.504 14.599 -3.555 1.00 0.00 N ATOM 601 CA THR A 45 4.633 13.341 -2.829 1.00 0.00 C ATOM 602 C THR A 45 3.346 12.527 -2.907 1.00 0.00 C ATOM 603 O THR A 45 3.378 11.325 -3.165 1.00 0.00 O ATOM 604 CB THR A 45 4.987 13.581 -1.349 1.00 0.00 C ATOM 605 OG1 THR A 45 6.280 14.187 -1.247 1.00 0.00 O ATOM 606 CG2 THR A 45 4.971 12.274 -0.571 1.00 0.00 C ATOM 0 H THR A 45 4.744 15.427 -3.010 1.00 0.00 H new ATOM 0 HA THR A 45 5.441 12.784 -3.302 1.00 0.00 H new ATOM 0 HB THR A 45 4.239 14.249 -0.922 1.00 0.00 H new ATOM 0 HG1 THR A 45 6.566 14.192 -0.310 1.00 0.00 H new ATOM 0 HG21 THR A 45 5.224 12.468 0.471 1.00 0.00 H new ATOM 0 HG22 THR A 45 3.977 11.830 -0.627 1.00 0.00 H new ATOM 0 HG23 THR A 45 5.700 11.587 -0.999 1.00 0.00 H new ATOM 614 N GLN A 46 2.217 13.191 -2.682 1.00 0.00 N ATOM 615 CA GLN A 46 0.920 12.527 -2.727 1.00 0.00 C ATOM 616 C GLN A 46 0.696 11.860 -4.080 1.00 0.00 C ATOM 617 O GLN A 46 0.330 10.687 -4.154 1.00 0.00 O ATOM 618 CB GLN A 46 -0.200 13.530 -2.448 1.00 0.00 C ATOM 619 CG GLN A 46 -0.208 14.053 -1.020 1.00 0.00 C ATOM 620 CD GLN A 46 -1.350 15.014 -0.756 1.00 0.00 C ATOM 621 OE1 GLN A 46 -1.952 15.551 -1.686 1.00 0.00 O ATOM 622 NE2 GLN A 46 -1.654 15.237 0.517 1.00 0.00 N ATOM 0 H GLN A 46 2.174 14.187 -2.467 1.00 0.00 H new ATOM 0 HA GLN A 46 0.908 11.756 -1.956 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -0.102 14.372 -3.134 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -1.160 13.058 -2.658 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -0.279 13.212 -0.330 1.00 0.00 H new ATOM 0 HG3 GLN A 46 0.738 14.554 -0.816 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -1.128 14.770 1.256 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -2.413 15.875 0.756 1.00 0.00 H new ATOM 631 N LYS A 47 0.917 12.616 -5.150 1.00 0.00 N ATOM 632 CA LYS A 47 0.741 12.100 -6.502 1.00 0.00 C ATOM 633 C LYS A 47 1.702 10.947 -6.774 1.00 0.00 C ATOM 634 O LYS A 47 1.317 9.926 -7.343 1.00 0.00 O ATOM 635 CB LYS A 47 0.960 13.214 -7.528 1.00 0.00 C ATOM 636 CG LYS A 47 -0.047 14.346 -7.422 1.00 0.00 C ATOM 637 CD LYS A 47 0.228 15.435 -8.445 1.00 0.00 C ATOM 638 CE LYS A 47 1.454 16.255 -8.070 1.00 0.00 C ATOM 639 NZ LYS A 47 2.698 15.696 -8.667 1.00 0.00 N ATOM 0 H LYS A 47 1.219 13.589 -5.107 1.00 0.00 H new ATOM 0 HA LYS A 47 -0.280 11.728 -6.592 1.00 0.00 H new ATOM 0 HB2 LYS A 47 1.964 13.619 -7.403 1.00 0.00 H new ATOM 0 HB3 LYS A 47 0.911 12.788 -8.530 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -1.053 13.954 -7.569 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -0.014 14.771 -6.419 1.00 0.00 H new ATOM 0 HD2 LYS A 47 0.376 14.985 -9.426 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -0.640 16.090 -8.523 1.00 0.00 H new ATOM 0 HE2 LYS A 47 1.320 17.283 -8.406 1.00 0.00 H new ATOM 0 HE3 LYS A 47 1.553 16.285 -6.985 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 3.369 16.468 -8.858 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 3.128 15.020 -8.004 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 2.468 15.210 -9.557 1.00 0.00 H new ATOM 653 N VAL A 48 2.955 11.118 -6.363 1.00 0.00 N ATOM 654 CA VAL A 48 3.970 10.090 -6.560 1.00 0.00 C ATOM 655 C VAL A 48 3.485 8.734 -6.060 1.00 0.00 C ATOM 656 O VAL A 48 3.676 7.713 -6.719 1.00 0.00 O ATOM 657 CB VAL A 48 5.282 10.452 -5.837 1.00 0.00 C ATOM 658 CG1 VAL A 48 6.294 9.325 -5.973 1.00 0.00 C ATOM 659 CG2 VAL A 48 5.847 11.756 -6.380 1.00 0.00 C ATOM 0 H VAL A 48 3.291 11.958 -5.892 1.00 0.00 H new ATOM 0 HA VAL A 48 4.157 10.032 -7.632 1.00 0.00 H new ATOM 0 HB VAL A 48 5.067 10.590 -4.777 1.00 0.00 H new ATOM 0 HG11 VAL A 48 7.214 9.598 -5.457 1.00 0.00 H new ATOM 0 HG12 VAL A 48 5.887 8.415 -5.532 1.00 0.00 H new ATOM 0 HG13 VAL A 48 6.507 9.153 -7.028 1.00 0.00 H new ATOM 0 HG21 VAL A 48 6.773 11.996 -5.858 1.00 0.00 H new ATOM 0 HG22 VAL A 48 6.048 11.649 -7.446 1.00 0.00 H new ATOM 0 HG23 VAL A 48 5.125 12.558 -6.225 1.00 0.00 H new ATOM 669 N PHE A 49 2.854 8.732 -4.890 1.00 0.00 N ATOM 670 CA PHE A 49 2.341 7.501 -4.300 1.00 0.00 C ATOM 671 C PHE A 49 1.075 7.042 -5.018 1.00 0.00 C ATOM 672 O PHE A 49 0.901 5.855 -5.296 1.00 0.00 O ATOM 673 CB PHE A 49 2.052 7.705 -2.812 1.00 0.00 C ATOM 674 CG PHE A 49 0.953 6.825 -2.288 1.00 0.00 C ATOM 675 CD1 PHE A 49 -0.375 7.124 -2.548 1.00 0.00 C ATOM 676 CD2 PHE A 49 1.248 5.700 -1.536 1.00 0.00 C ATOM 677 CE1 PHE A 49 -1.388 6.316 -2.068 1.00 0.00 C ATOM 678 CE2 PHE A 49 0.239 4.888 -1.054 1.00 0.00 C ATOM 679 CZ PHE A 49 -1.081 5.197 -1.319 1.00 0.00 C ATOM 0 H PHE A 49 2.686 9.569 -4.332 1.00 0.00 H new ATOM 0 HA PHE A 49 3.102 6.729 -4.412 1.00 0.00 H new ATOM 0 HB2 PHE A 49 2.962 7.513 -2.244 1.00 0.00 H new ATOM 0 HB3 PHE A 49 1.784 8.748 -2.642 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -0.621 7.998 -3.132 1.00 0.00 H new ATOM 0 HD2 PHE A 49 2.278 5.455 -1.324 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -2.419 6.559 -2.278 1.00 0.00 H new ATOM 0 HE2 PHE A 49 0.482 4.012 -0.470 1.00 0.00 H new ATOM 0 HZ PHE A 49 -1.871 4.565 -0.941 1.00 0.00 H new ATOM 689 N LEU A 50 0.192 7.990 -5.313 1.00 0.00 N ATOM 690 CA LEU A 50 -1.059 7.684 -5.997 1.00 0.00 C ATOM 691 C LEU A 50 -0.796 7.172 -7.410 1.00 0.00 C ATOM 692 O LEU A 50 -1.700 6.669 -8.077 1.00 0.00 O ATOM 693 CB LEU A 50 -1.951 8.925 -6.050 1.00 0.00 C ATOM 694 CG LEU A 50 -2.830 9.173 -4.823 1.00 0.00 C ATOM 695 CD1 LEU A 50 -3.242 10.635 -4.749 1.00 0.00 C ATOM 696 CD2 LEU A 50 -4.055 8.272 -4.854 1.00 0.00 C ATOM 0 H LEU A 50 0.320 8.977 -5.089 1.00 0.00 H new ATOM 0 HA LEU A 50 -1.569 6.901 -5.436 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -1.316 9.798 -6.200 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -2.597 8.847 -6.925 1.00 0.00 H new ATOM 0 HG LEU A 50 -2.251 8.934 -3.931 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -3.867 10.793 -3.870 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -2.352 11.261 -4.679 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -3.803 10.901 -5.645 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -4.669 8.462 -3.974 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -4.636 8.479 -5.753 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -3.739 7.229 -4.858 1.00 0.00 H new ATOM 708 N PHE A 51 0.448 7.302 -7.859 1.00 0.00 N ATOM 709 CA PHE A 51 0.830 6.851 -9.192 1.00 0.00 C ATOM 710 C PHE A 51 1.435 5.451 -9.140 1.00 0.00 C ATOM 711 O PHE A 51 1.191 4.626 -10.020 1.00 0.00 O ATOM 712 CB PHE A 51 1.829 7.828 -9.816 1.00 0.00 C ATOM 713 CG PHE A 51 2.374 7.365 -11.137 1.00 0.00 C ATOM 714 CD1 PHE A 51 3.225 6.275 -11.207 1.00 0.00 C ATOM 715 CD2 PHE A 51 2.035 8.022 -12.309 1.00 0.00 C ATOM 716 CE1 PHE A 51 3.728 5.846 -12.421 1.00 0.00 C ATOM 717 CE2 PHE A 51 2.534 7.597 -13.526 1.00 0.00 C ATOM 718 CZ PHE A 51 3.383 6.509 -13.582 1.00 0.00 C ATOM 0 H PHE A 51 1.208 7.716 -7.320 1.00 0.00 H new ATOM 0 HA PHE A 51 -0.068 6.816 -9.809 1.00 0.00 H new ATOM 0 HB2 PHE A 51 1.344 8.795 -9.951 1.00 0.00 H new ATOM 0 HB3 PHE A 51 2.657 7.981 -9.124 1.00 0.00 H new ATOM 0 HD1 PHE A 51 3.499 5.754 -10.302 1.00 0.00 H new ATOM 0 HD2 PHE A 51 1.374 8.875 -12.271 1.00 0.00 H new ATOM 0 HE1 PHE A 51 4.390 4.994 -12.461 1.00 0.00 H new ATOM 0 HE2 PHE A 51 2.260 8.116 -14.433 1.00 0.00 H new ATOM 0 HZ PHE A 51 3.776 6.178 -14.532 1.00 0.00 H new ATOM 728 N ILE A 52 2.225 5.193 -8.103 1.00 0.00 N ATOM 729 CA ILE A 52 2.864 3.893 -7.936 1.00 0.00 C ATOM 730 C ILE A 52 1.829 2.776 -7.867 1.00 0.00 C ATOM 731 O ILE A 52 2.012 1.709 -8.453 1.00 0.00 O ATOM 732 CB ILE A 52 3.732 3.853 -6.665 1.00 0.00 C ATOM 733 CG1 ILE A 52 4.846 4.899 -6.747 1.00 0.00 C ATOM 734 CG2 ILE A 52 4.318 2.462 -6.468 1.00 0.00 C ATOM 735 CD1 ILE A 52 5.319 5.386 -5.396 1.00 0.00 C ATOM 0 H ILE A 52 2.438 5.866 -7.367 1.00 0.00 H new ATOM 0 HA ILE A 52 3.501 3.740 -8.807 1.00 0.00 H new ATOM 0 HB ILE A 52 3.103 4.087 -5.806 1.00 0.00 H new ATOM 0 HG12 ILE A 52 5.692 4.475 -7.288 1.00 0.00 H new ATOM 0 HG13 ILE A 52 4.491 5.751 -7.327 1.00 0.00 H new ATOM 0 HG21 ILE A 52 4.929 2.449 -5.566 1.00 0.00 H new ATOM 0 HG22 ILE A 52 3.510 1.737 -6.369 1.00 0.00 H new ATOM 0 HG23 ILE A 52 4.935 2.202 -7.328 1.00 0.00 H new ATOM 0 HD11 ILE A 52 6.109 6.125 -5.532 1.00 0.00 H new ATOM 0 HD12 ILE A 52 4.485 5.840 -4.861 1.00 0.00 H new ATOM 0 HD13 ILE A 52 5.705 4.544 -4.820 1.00 0.00 H new ATOM 747 N ARG A 53 0.740 3.029 -7.148 1.00 0.00 N ATOM 748 CA ARG A 53 -0.326 2.045 -7.003 1.00 0.00 C ATOM 749 C ARG A 53 -0.988 1.758 -8.347 1.00 0.00 C ATOM 750 O ARG A 53 -0.968 0.628 -8.832 1.00 0.00 O ATOM 751 CB ARG A 53 -1.372 2.539 -6.002 1.00 0.00 C ATOM 752 CG ARG A 53 -2.564 1.607 -5.857 1.00 0.00 C ATOM 753 CD ARG A 53 -3.834 2.374 -5.526 1.00 0.00 C ATOM 754 NE ARG A 53 -4.251 3.242 -6.624 1.00 0.00 N ATOM 755 CZ ARG A 53 -5.514 3.584 -6.852 1.00 0.00 C ATOM 756 NH1 ARG A 53 -6.479 3.134 -6.061 1.00 0.00 N ATOM 757 NH2 ARG A 53 -5.814 4.378 -7.871 1.00 0.00 N ATOM 0 H ARG A 53 0.573 3.907 -6.657 1.00 0.00 H new ATOM 0 HA ARG A 53 0.115 1.121 -6.631 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -0.899 2.665 -5.028 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -1.726 3.522 -6.314 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -2.706 1.049 -6.783 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -2.363 0.877 -5.072 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -4.634 1.670 -5.297 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -3.672 2.974 -4.631 1.00 0.00 H new ATOM 0 HE ARG A 53 -3.533 3.606 -7.250 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -6.252 2.524 -5.276 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -7.448 3.398 -6.238 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -5.074 4.727 -8.481 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -6.784 4.640 -8.045 1.00 0.00 H new ATOM 771 N ASN A 54 -1.576 2.791 -8.944 1.00 0.00 N ATOM 772 CA ASN A 54 -2.245 2.649 -10.232 1.00 0.00 C ATOM 773 C ASN A 54 -1.409 1.806 -11.190 1.00 0.00 C ATOM 774 O ASN A 54 -1.875 0.791 -11.708 1.00 0.00 O ATOM 775 CB ASN A 54 -2.511 4.025 -10.846 1.00 0.00 C ATOM 776 CG ASN A 54 -3.831 4.616 -10.390 1.00 0.00 C ATOM 777 OD1 ASN A 54 -4.857 3.936 -10.375 1.00 0.00 O ATOM 778 ND2 ASN A 54 -3.811 5.890 -10.015 1.00 0.00 N ATOM 0 H ASN A 54 -1.602 3.734 -8.556 1.00 0.00 H new ATOM 0 HA ASN A 54 -3.196 2.142 -10.065 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -1.701 4.703 -10.577 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -2.510 3.941 -11.933 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -4.669 6.342 -9.699 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -2.938 6.416 -10.043 1.00 0.00 H new ATOM 785 N ARG A 55 -0.172 2.233 -11.420 1.00 0.00 N ATOM 786 CA ARG A 55 0.729 1.518 -12.316 1.00 0.00 C ATOM 787 C ARG A 55 0.838 0.049 -11.919 1.00 0.00 C ATOM 788 O ARG A 55 0.722 -0.844 -12.759 1.00 0.00 O ATOM 789 CB ARG A 55 2.115 2.165 -12.303 1.00 0.00 C ATOM 790 CG ARG A 55 3.071 1.579 -13.329 1.00 0.00 C ATOM 791 CD ARG A 55 2.646 1.925 -14.748 1.00 0.00 C ATOM 792 NE ARG A 55 3.419 1.190 -15.745 1.00 0.00 N ATOM 793 CZ ARG A 55 3.590 1.606 -16.995 1.00 0.00 C ATOM 794 NH1 ARG A 55 3.046 2.746 -17.398 1.00 0.00 N ATOM 795 NH2 ARG A 55 4.307 0.882 -17.845 1.00 0.00 N ATOM 0 H ARG A 55 0.229 3.071 -10.998 1.00 0.00 H new ATOM 0 HA ARG A 55 0.319 1.575 -13.324 1.00 0.00 H new ATOM 0 HB2 ARG A 55 2.009 3.234 -12.487 1.00 0.00 H new ATOM 0 HB3 ARG A 55 2.549 2.054 -11.309 1.00 0.00 H new ATOM 0 HG2 ARG A 55 4.077 1.956 -13.147 1.00 0.00 H new ATOM 0 HG3 ARG A 55 3.111 0.496 -13.214 1.00 0.00 H new ATOM 0 HD2 ARG A 55 1.587 1.702 -14.874 1.00 0.00 H new ATOM 0 HD3 ARG A 55 2.768 2.996 -14.912 1.00 0.00 H new ATOM 0 HE ARG A 55 3.851 0.309 -15.467 1.00 0.00 H new ATOM 0 HH11 ARG A 55 2.495 3.306 -16.748 1.00 0.00 H new ATOM 0 HH12 ARG A 55 3.179 3.063 -18.358 1.00 0.00 H new ATOM 0 HH21 ARG A 55 4.728 0.005 -17.539 1.00 0.00 H new ATOM 0 HH22 ARG A 55 4.437 1.203 -18.804 1.00 0.00 H new ATOM 809 N THR A 56 1.062 -0.195 -10.631 1.00 0.00 N ATOM 810 CA THR A 56 1.189 -1.555 -10.122 1.00 0.00 C ATOM 811 C THR A 56 0.004 -2.414 -10.549 1.00 0.00 C ATOM 812 O THR A 56 0.166 -3.584 -10.899 1.00 0.00 O ATOM 813 CB THR A 56 1.294 -1.572 -8.586 1.00 0.00 C ATOM 814 OG1 THR A 56 2.458 -0.853 -8.166 1.00 0.00 O ATOM 815 CG2 THR A 56 1.358 -3.000 -8.064 1.00 0.00 C ATOM 0 H THR A 56 1.159 0.532 -9.922 1.00 0.00 H new ATOM 0 HA THR A 56 2.105 -1.967 -10.546 1.00 0.00 H new ATOM 0 HB THR A 56 0.405 -1.092 -8.178 1.00 0.00 H new ATOM 0 HG1 THR A 56 2.224 0.086 -8.010 1.00 0.00 H new ATOM 0 HG21 THR A 56 1.432 -2.987 -6.977 1.00 0.00 H new ATOM 0 HG22 THR A 56 0.456 -3.536 -8.360 1.00 0.00 H new ATOM 0 HG23 THR A 56 2.232 -3.501 -8.481 1.00 0.00 H new ATOM 823 N LEU A 57 -1.187 -1.828 -10.520 1.00 0.00 N ATOM 824 CA LEU A 57 -2.401 -2.540 -10.905 1.00 0.00 C ATOM 825 C LEU A 57 -2.422 -2.807 -12.406 1.00 0.00 C ATOM 826 O LEU A 57 -2.780 -3.899 -12.847 1.00 0.00 O ATOM 827 CB LEU A 57 -3.638 -1.736 -10.500 1.00 0.00 C ATOM 828 CG LEU A 57 -4.191 -2.014 -9.102 1.00 0.00 C ATOM 829 CD1 LEU A 57 -5.094 -0.876 -8.650 1.00 0.00 C ATOM 830 CD2 LEU A 57 -4.945 -3.336 -9.080 1.00 0.00 C ATOM 0 H LEU A 57 -1.339 -0.861 -10.234 1.00 0.00 H new ATOM 0 HA LEU A 57 -2.412 -3.498 -10.384 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -3.396 -0.675 -10.569 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -4.427 -1.931 -11.226 1.00 0.00 H new ATOM 0 HG LEU A 57 -3.354 -2.085 -8.408 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -5.479 -1.091 -7.653 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -4.525 0.053 -8.627 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -5.927 -0.774 -9.346 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -5.332 -3.518 -8.077 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -5.774 -3.294 -9.786 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -4.270 -4.145 -9.361 1.00 0.00 H new ATOM 842 N GLN A 58 -2.035 -1.803 -13.186 1.00 0.00 N ATOM 843 CA GLN A 58 -2.009 -1.930 -14.638 1.00 0.00 C ATOM 844 C GLN A 58 -1.322 -3.226 -15.059 1.00 0.00 C ATOM 845 O GLN A 58 -1.907 -4.051 -15.761 1.00 0.00 O ATOM 846 CB GLN A 58 -1.291 -0.733 -15.264 1.00 0.00 C ATOM 847 CG GLN A 58 -2.214 0.435 -15.573 1.00 0.00 C ATOM 848 CD GLN A 58 -3.283 0.082 -16.588 1.00 0.00 C ATOM 849 OE1 GLN A 58 -4.408 -0.264 -16.227 1.00 0.00 O ATOM 850 NE2 GLN A 58 -2.936 0.169 -17.867 1.00 0.00 N ATOM 0 H GLN A 58 -1.735 -0.893 -12.837 1.00 0.00 H new ATOM 0 HA GLN A 58 -3.039 -1.953 -14.993 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -0.506 -0.396 -14.587 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -0.803 -1.053 -16.184 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -2.690 0.770 -14.652 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -1.623 1.270 -15.949 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -1.992 0.460 -18.121 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -3.614 -0.055 -18.596 1.00 0.00 H new ATOM 859 N LEU A 59 -0.079 -3.398 -14.625 1.00 0.00 N ATOM 860 CA LEU A 59 0.689 -4.594 -14.956 1.00 0.00 C ATOM 861 C LEU A 59 -0.015 -5.849 -14.452 1.00 0.00 C ATOM 862 O LEU A 59 0.086 -6.915 -15.059 1.00 0.00 O ATOM 863 CB LEU A 59 2.092 -4.506 -14.355 1.00 0.00 C ATOM 864 CG LEU A 59 2.873 -3.225 -14.656 1.00 0.00 C ATOM 865 CD1 LEU A 59 3.970 -3.014 -13.625 1.00 0.00 C ATOM 866 CD2 LEU A 59 3.460 -3.277 -16.059 1.00 0.00 C ATOM 0 H LEU A 59 0.419 -2.725 -14.043 1.00 0.00 H new ATOM 0 HA LEU A 59 0.769 -4.656 -16.041 1.00 0.00 H new ATOM 0 HB2 LEU A 59 2.009 -4.611 -13.273 1.00 0.00 H new ATOM 0 HB3 LEU A 59 2.673 -5.355 -14.715 1.00 0.00 H new ATOM 0 HG LEU A 59 2.185 -2.381 -14.602 1.00 0.00 H new ATOM 0 HD11 LEU A 59 4.515 -2.098 -13.855 1.00 0.00 H new ATOM 0 HD12 LEU A 59 3.526 -2.932 -12.633 1.00 0.00 H new ATOM 0 HD13 LEU A 59 4.657 -3.860 -13.646 1.00 0.00 H new ATOM 0 HD21 LEU A 59 4.012 -2.358 -16.257 1.00 0.00 H new ATOM 0 HD22 LEU A 59 4.134 -4.130 -16.140 1.00 0.00 H new ATOM 0 HD23 LEU A 59 2.655 -3.380 -16.787 1.00 0.00 H new ATOM 878 N TRP A 60 -0.729 -5.715 -13.340 1.00 0.00 N ATOM 879 CA TRP A 60 -1.452 -6.839 -12.755 1.00 0.00 C ATOM 880 C TRP A 60 -2.621 -7.254 -13.642 1.00 0.00 C ATOM 881 O TRP A 60 -2.807 -8.438 -13.926 1.00 0.00 O ATOM 882 CB TRP A 60 -1.958 -6.475 -11.359 1.00 0.00 C ATOM 883 CG TRP A 60 -3.176 -7.247 -10.949 1.00 0.00 C ATOM 884 CD1 TRP A 60 -4.448 -6.765 -10.823 1.00 0.00 C ATOM 885 CD2 TRP A 60 -3.236 -8.636 -10.610 1.00 0.00 C ATOM 886 NE1 TRP A 60 -5.295 -7.772 -10.426 1.00 0.00 N ATOM 887 CE2 TRP A 60 -4.576 -8.930 -10.289 1.00 0.00 C ATOM 888 CE3 TRP A 60 -2.289 -9.662 -10.548 1.00 0.00 C ATOM 889 CZ2 TRP A 60 -4.989 -10.204 -9.911 1.00 0.00 C ATOM 890 CZ3 TRP A 60 -2.700 -10.927 -10.172 1.00 0.00 C ATOM 891 CH2 TRP A 60 -4.040 -11.189 -9.859 1.00 0.00 C ATOM 0 H TRP A 60 -0.823 -4.839 -12.825 1.00 0.00 H new ATOM 0 HA TRP A 60 -0.764 -7.681 -12.676 1.00 0.00 H new ATOM 0 HB2 TRP A 60 -1.163 -6.652 -10.634 1.00 0.00 H new ATOM 0 HB3 TRP A 60 -2.185 -5.409 -11.329 1.00 0.00 H new ATOM 0 HD1 TRP A 60 -4.744 -5.743 -11.008 1.00 0.00 H new ATOM 0 HE1 TRP A 60 -6.297 -7.673 -10.260 1.00 0.00 H new ATOM 0 HE3 TRP A 60 -1.254 -9.470 -10.790 1.00 0.00 H new ATOM 0 HZ2 TRP A 60 -6.021 -10.408 -9.667 1.00 0.00 H new ATOM 0 HZ3 TRP A 60 -1.976 -11.727 -10.119 1.00 0.00 H new ATOM 0 HH2 TRP A 60 -4.330 -12.189 -9.571 1.00 0.00 H new ATOM 902 N LEU A 61 -3.406 -6.275 -14.076 1.00 0.00 N ATOM 903 CA LEU A 61 -4.558 -6.539 -14.931 1.00 0.00 C ATOM 904 C LEU A 61 -4.115 -7.060 -16.295 1.00 0.00 C ATOM 905 O LEU A 61 -4.899 -7.671 -17.021 1.00 0.00 O ATOM 906 CB LEU A 61 -5.392 -5.269 -15.104 1.00 0.00 C ATOM 907 CG LEU A 61 -6.381 -4.957 -13.981 1.00 0.00 C ATOM 908 CD1 LEU A 61 -6.900 -3.533 -14.106 1.00 0.00 C ATOM 909 CD2 LEU A 61 -7.534 -5.950 -13.995 1.00 0.00 C ATOM 0 H LEU A 61 -3.266 -5.290 -13.850 1.00 0.00 H new ATOM 0 HA LEU A 61 -5.168 -7.304 -14.451 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -4.712 -4.423 -15.207 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -5.947 -5.348 -16.039 1.00 0.00 H new ATOM 0 HG LEU A 61 -5.860 -5.049 -13.028 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -7.603 -3.330 -13.298 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -6.065 -2.835 -14.045 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -7.405 -3.413 -15.065 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -8.228 -5.713 -13.189 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -8.054 -5.890 -14.951 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -7.147 -6.959 -13.855 1.00 0.00 H new ATOM 921 N ASP A 62 -2.854 -6.817 -16.634 1.00 0.00 N ATOM 922 CA ASP A 62 -2.306 -7.265 -17.909 1.00 0.00 C ATOM 923 C ASP A 62 -1.803 -8.702 -17.810 1.00 0.00 C ATOM 924 O ASP A 62 -1.876 -9.463 -18.774 1.00 0.00 O ATOM 925 CB ASP A 62 -1.168 -6.343 -18.352 1.00 0.00 C ATOM 926 CG ASP A 62 -0.714 -6.623 -19.771 1.00 0.00 C ATOM 927 OD1 ASP A 62 -0.023 -7.642 -19.983 1.00 0.00 O ATOM 928 OD2 ASP A 62 -1.051 -5.824 -20.669 1.00 0.00 O ATOM 0 H ASP A 62 -2.192 -6.313 -16.044 1.00 0.00 H new ATOM 0 HA ASP A 62 -3.103 -7.228 -18.651 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -1.494 -5.306 -18.276 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -0.323 -6.462 -17.673 1.00 0.00 H new ATOM 933 N ASN A 63 -1.292 -9.065 -16.638 1.00 0.00 N ATOM 934 CA ASN A 63 -0.775 -10.410 -16.414 1.00 0.00 C ATOM 935 C ASN A 63 -1.316 -10.990 -15.110 1.00 0.00 C ATOM 936 O ASN A 63 -0.567 -11.464 -14.255 1.00 0.00 O ATOM 937 CB ASN A 63 0.755 -10.392 -16.382 1.00 0.00 C ATOM 938 CG ASN A 63 1.358 -11.694 -16.874 1.00 0.00 C ATOM 939 OD1 ASN A 63 0.696 -12.482 -17.549 1.00 0.00 O ATOM 940 ND2 ASN A 63 2.622 -11.924 -16.538 1.00 0.00 N ATOM 0 H ASN A 63 -1.225 -8.447 -15.829 1.00 0.00 H new ATOM 0 HA ASN A 63 -1.107 -11.042 -17.238 1.00 0.00 H new ATOM 0 HB2 ASN A 63 1.119 -9.570 -16.998 1.00 0.00 H new ATOM 0 HB3 ASN A 63 1.092 -10.200 -15.363 1.00 0.00 H new ATOM 0 HD21 ASN A 63 3.082 -12.782 -16.841 1.00 0.00 H new ATOM 0 HD22 ASN A 63 3.133 -11.242 -15.977 1.00 0.00 H new ATOM 947 N PRO A 64 -2.647 -10.953 -14.954 1.00 0.00 N ATOM 948 CA PRO A 64 -3.318 -11.471 -13.758 1.00 0.00 C ATOM 949 C PRO A 64 -3.252 -12.992 -13.669 1.00 0.00 C ATOM 950 O PRO A 64 -3.835 -13.599 -12.770 1.00 0.00 O ATOM 951 CB PRO A 64 -4.767 -11.009 -13.935 1.00 0.00 C ATOM 952 CG PRO A 64 -4.936 -10.851 -15.407 1.00 0.00 C ATOM 953 CD PRO A 64 -3.600 -10.403 -15.932 1.00 0.00 C ATOM 0 HA PRO A 64 -2.850 -11.112 -12.841 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -5.468 -11.740 -13.532 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -4.950 -10.070 -13.412 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -5.241 -11.791 -15.868 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -5.710 -10.118 -15.634 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -3.413 -10.787 -16.935 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -3.535 -9.316 -15.989 1.00 0.00 H new ATOM 961 N LYS A 65 -2.537 -13.604 -14.607 1.00 0.00 N ATOM 962 CA LYS A 65 -2.392 -15.055 -14.635 1.00 0.00 C ATOM 963 C LYS A 65 -1.247 -15.504 -13.732 1.00 0.00 C ATOM 964 O LYS A 65 -1.103 -16.693 -13.443 1.00 0.00 O ATOM 965 CB LYS A 65 -2.145 -15.536 -16.067 1.00 0.00 C ATOM 966 CG LYS A 65 -1.034 -14.784 -16.778 1.00 0.00 C ATOM 967 CD LYS A 65 -0.289 -15.681 -17.753 1.00 0.00 C ATOM 968 CE LYS A 65 -1.143 -16.017 -18.965 1.00 0.00 C ATOM 969 NZ LYS A 65 -0.315 -16.237 -20.184 1.00 0.00 N ATOM 0 H LYS A 65 -2.048 -13.117 -15.359 1.00 0.00 H new ATOM 0 HA LYS A 65 -3.318 -15.495 -14.265 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -1.899 -16.598 -16.047 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -3.067 -15.433 -16.640 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -1.454 -13.933 -17.314 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -0.335 -14.385 -16.043 1.00 0.00 H new ATOM 0 HD2 LYS A 65 0.626 -15.186 -18.078 1.00 0.00 H new ATOM 0 HD3 LYS A 65 0.007 -16.601 -17.249 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -1.730 -16.912 -18.759 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -1.849 -15.207 -19.147 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -0.934 -16.464 -20.988 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 0.226 -15.375 -20.396 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 0.342 -17.026 -20.020 1.00 0.00 H new ATOM 983 N ILE A 66 -0.438 -14.548 -13.290 1.00 0.00 N ATOM 984 CA ILE A 66 0.691 -14.846 -12.418 1.00 0.00 C ATOM 985 C ILE A 66 0.767 -13.859 -11.258 1.00 0.00 C ATOM 986 O ILE A 66 0.279 -12.733 -11.357 1.00 0.00 O ATOM 987 CB ILE A 66 2.023 -14.816 -13.191 1.00 0.00 C ATOM 988 CG1 ILE A 66 2.407 -13.374 -13.531 1.00 0.00 C ATOM 989 CG2 ILE A 66 1.921 -15.654 -14.456 1.00 0.00 C ATOM 990 CD1 ILE A 66 3.837 -13.225 -14.003 1.00 0.00 C ATOM 0 H ILE A 66 -0.543 -13.560 -13.521 1.00 0.00 H new ATOM 0 HA ILE A 66 0.530 -15.850 -12.027 1.00 0.00 H new ATOM 0 HB ILE A 66 2.802 -15.241 -12.559 1.00 0.00 H new ATOM 0 HG12 ILE A 66 1.737 -13.001 -14.305 1.00 0.00 H new ATOM 0 HG13 ILE A 66 2.256 -12.749 -12.651 1.00 0.00 H new ATOM 0 HG21 ILE A 66 2.870 -15.622 -14.991 1.00 0.00 H new ATOM 0 HG22 ILE A 66 1.688 -16.685 -14.191 1.00 0.00 H new ATOM 0 HG23 ILE A 66 1.132 -15.256 -15.094 1.00 0.00 H new ATOM 0 HD11 ILE A 66 4.039 -12.177 -14.226 1.00 0.00 H new ATOM 0 HD12 ILE A 66 4.516 -13.567 -13.222 1.00 0.00 H new ATOM 0 HD13 ILE A 66 3.988 -13.823 -14.902 1.00 0.00 H new ATOM 1002 N GLN A 67 1.382 -14.289 -10.161 1.00 0.00 N ATOM 1003 CA GLN A 67 1.522 -13.441 -8.983 1.00 0.00 C ATOM 1004 C GLN A 67 2.508 -12.307 -9.242 1.00 0.00 C ATOM 1005 O GLN A 67 3.608 -12.530 -9.749 1.00 0.00 O ATOM 1006 CB GLN A 67 1.985 -14.271 -7.784 1.00 0.00 C ATOM 1007 CG GLN A 67 3.484 -14.522 -7.760 1.00 0.00 C ATOM 1008 CD GLN A 67 3.970 -15.274 -8.984 1.00 0.00 C ATOM 1009 OE1 GLN A 67 3.561 -16.408 -9.232 1.00 0.00 O ATOM 1010 NE2 GLN A 67 4.847 -14.644 -9.757 1.00 0.00 N ATOM 0 H GLN A 67 1.791 -15.218 -10.063 1.00 0.00 H new ATOM 0 HA GLN A 67 0.547 -13.006 -8.761 1.00 0.00 H new ATOM 0 HB2 GLN A 67 1.696 -13.760 -6.866 1.00 0.00 H new ATOM 0 HB3 GLN A 67 1.465 -15.229 -7.793 1.00 0.00 H new ATOM 0 HG2 GLN A 67 4.007 -13.568 -7.693 1.00 0.00 H new ATOM 0 HG3 GLN A 67 3.739 -15.089 -6.865 1.00 0.00 H new ATOM 0 HE21 GLN A 67 5.159 -13.704 -9.513 1.00 0.00 H new ATOM 0 HE22 GLN A 67 5.209 -15.100 -10.595 1.00 0.00 H new ATOM 1019 N LEU A 68 2.107 -11.090 -8.893 1.00 0.00 N ATOM 1020 CA LEU A 68 2.955 -9.919 -9.088 1.00 0.00 C ATOM 1021 C LEU A 68 3.790 -9.638 -7.843 1.00 0.00 C ATOM 1022 O LEU A 68 3.288 -9.111 -6.850 1.00 0.00 O ATOM 1023 CB LEU A 68 2.100 -8.697 -9.429 1.00 0.00 C ATOM 1024 CG LEU A 68 2.852 -7.486 -9.984 1.00 0.00 C ATOM 1025 CD1 LEU A 68 3.506 -7.828 -11.313 1.00 0.00 C ATOM 1026 CD2 LEU A 68 1.911 -6.300 -10.140 1.00 0.00 C ATOM 0 H LEU A 68 1.200 -10.888 -8.473 1.00 0.00 H new ATOM 0 HA LEU A 68 3.631 -10.125 -9.918 1.00 0.00 H new ATOM 0 HB2 LEU A 68 1.347 -8.997 -10.158 1.00 0.00 H new ATOM 0 HB3 LEU A 68 1.568 -8.388 -8.529 1.00 0.00 H new ATOM 0 HG LEU A 68 3.635 -7.213 -9.277 1.00 0.00 H new ATOM 0 HD11 LEU A 68 4.036 -6.955 -11.693 1.00 0.00 H new ATOM 0 HD12 LEU A 68 4.211 -8.647 -11.172 1.00 0.00 H new ATOM 0 HD13 LEU A 68 2.740 -8.127 -12.029 1.00 0.00 H new ATOM 0 HD21 LEU A 68 2.463 -5.447 -10.536 1.00 0.00 H new ATOM 0 HD22 LEU A 68 1.106 -6.562 -10.827 1.00 0.00 H new ATOM 0 HD23 LEU A 68 1.489 -6.040 -9.169 1.00 0.00 H new ATOM 1038 N THR A 69 5.070 -9.992 -7.903 1.00 0.00 N ATOM 1039 CA THR A 69 5.976 -9.778 -6.782 1.00 0.00 C ATOM 1040 C THR A 69 6.337 -8.303 -6.640 1.00 0.00 C ATOM 1041 O THR A 69 5.953 -7.478 -7.470 1.00 0.00 O ATOM 1042 CB THR A 69 7.271 -10.597 -6.941 1.00 0.00 C ATOM 1043 OG1 THR A 69 8.031 -10.104 -8.049 1.00 0.00 O ATOM 1044 CG2 THR A 69 6.956 -12.071 -7.151 1.00 0.00 C ATOM 0 H THR A 69 5.503 -10.429 -8.717 1.00 0.00 H new ATOM 0 HA THR A 69 5.452 -10.110 -5.886 1.00 0.00 H new ATOM 0 HB THR A 69 7.855 -10.493 -6.027 1.00 0.00 H new ATOM 0 HG1 THR A 69 8.853 -10.629 -8.141 1.00 0.00 H new ATOM 0 HG21 THR A 69 7.885 -12.630 -7.261 1.00 0.00 H new ATOM 0 HG22 THR A 69 6.404 -12.451 -6.292 1.00 0.00 H new ATOM 0 HG23 THR A 69 6.353 -12.190 -8.051 1.00 0.00 H new ATOM 1052 N PHE A 70 7.076 -7.978 -5.585 1.00 0.00 N ATOM 1053 CA PHE A 70 7.488 -6.602 -5.335 1.00 0.00 C ATOM 1054 C PHE A 70 8.575 -6.172 -6.316 1.00 0.00 C ATOM 1055 O PHE A 70 8.536 -5.068 -6.856 1.00 0.00 O ATOM 1056 CB PHE A 70 7.993 -6.451 -3.898 1.00 0.00 C ATOM 1057 CG PHE A 70 8.798 -5.203 -3.674 1.00 0.00 C ATOM 1058 CD1 PHE A 70 8.169 -3.991 -3.437 1.00 0.00 C ATOM 1059 CD2 PHE A 70 10.182 -5.241 -3.698 1.00 0.00 C ATOM 1060 CE1 PHE A 70 8.907 -2.841 -3.231 1.00 0.00 C ATOM 1061 CE2 PHE A 70 10.926 -4.095 -3.492 1.00 0.00 C ATOM 1062 CZ PHE A 70 10.287 -2.893 -3.257 1.00 0.00 C ATOM 0 H PHE A 70 7.402 -8.649 -4.889 1.00 0.00 H new ATOM 0 HA PHE A 70 6.620 -5.958 -5.477 1.00 0.00 H new ATOM 0 HB2 PHE A 70 7.140 -6.450 -3.220 1.00 0.00 H new ATOM 0 HB3 PHE A 70 8.603 -7.318 -3.642 1.00 0.00 H new ATOM 0 HD1 PHE A 70 7.090 -3.945 -3.413 1.00 0.00 H new ATOM 0 HD2 PHE A 70 10.686 -6.178 -3.880 1.00 0.00 H new ATOM 0 HE1 PHE A 70 8.405 -1.902 -3.050 1.00 0.00 H new ATOM 0 HE2 PHE A 70 12.005 -4.139 -3.515 1.00 0.00 H new ATOM 0 HZ PHE A 70 10.865 -1.996 -3.094 1.00 0.00 H new ATOM 1072 N GLU A 71 9.543 -7.055 -6.540 1.00 0.00 N ATOM 1073 CA GLU A 71 10.642 -6.767 -7.455 1.00 0.00 C ATOM 1074 C GLU A 71 10.114 -6.372 -8.831 1.00 0.00 C ATOM 1075 O GLU A 71 10.349 -5.259 -9.302 1.00 0.00 O ATOM 1076 CB GLU A 71 11.564 -7.982 -7.579 1.00 0.00 C ATOM 1077 CG GLU A 71 12.547 -8.120 -6.429 1.00 0.00 C ATOM 1078 CD GLU A 71 13.830 -8.816 -6.839 1.00 0.00 C ATOM 1079 OE1 GLU A 71 14.741 -8.131 -7.348 1.00 0.00 O ATOM 1080 OE2 GLU A 71 13.922 -10.048 -6.650 1.00 0.00 O ATOM 0 H GLU A 71 9.589 -7.975 -6.101 1.00 0.00 H new ATOM 0 HA GLU A 71 11.210 -5.930 -7.049 1.00 0.00 H new ATOM 0 HB2 GLU A 71 10.956 -8.885 -7.636 1.00 0.00 H new ATOM 0 HB3 GLU A 71 12.119 -7.912 -8.514 1.00 0.00 H new ATOM 0 HG2 GLU A 71 12.784 -7.131 -6.038 1.00 0.00 H new ATOM 0 HG3 GLU A 71 12.077 -8.679 -5.620 1.00 0.00 H new ATOM 1087 N ALA A 72 9.401 -7.293 -9.472 1.00 0.00 N ATOM 1088 CA ALA A 72 8.839 -7.041 -10.793 1.00 0.00 C ATOM 1089 C ALA A 72 8.164 -5.675 -10.851 1.00 0.00 C ATOM 1090 O ALA A 72 8.509 -4.834 -11.681 1.00 0.00 O ATOM 1091 CB ALA A 72 7.852 -8.137 -11.163 1.00 0.00 C ATOM 0 H ALA A 72 9.199 -8.220 -9.098 1.00 0.00 H new ATOM 0 HA ALA A 72 9.655 -7.044 -11.515 1.00 0.00 H new ATOM 0 HB1 ALA A 72 7.440 -7.937 -12.152 1.00 0.00 H new ATOM 0 HB2 ALA A 72 8.363 -9.100 -11.171 1.00 0.00 H new ATOM 0 HB3 ALA A 72 7.044 -8.162 -10.431 1.00 0.00 H new ATOM 1097 N THR A 73 7.197 -5.460 -9.964 1.00 0.00 N ATOM 1098 CA THR A 73 6.471 -4.198 -9.916 1.00 0.00 C ATOM 1099 C THR A 73 7.430 -3.014 -9.863 1.00 0.00 C ATOM 1100 O THR A 73 7.215 -1.997 -10.524 1.00 0.00 O ATOM 1101 CB THR A 73 5.530 -4.137 -8.698 1.00 0.00 C ATOM 1102 OG1 THR A 73 4.651 -5.267 -8.701 1.00 0.00 O ATOM 1103 CG2 THR A 73 4.713 -2.853 -8.709 1.00 0.00 C ATOM 0 H THR A 73 6.899 -6.145 -9.269 1.00 0.00 H new ATOM 0 HA THR A 73 5.877 -4.140 -10.828 1.00 0.00 H new ATOM 0 HB THR A 73 6.140 -4.154 -7.795 1.00 0.00 H new ATOM 0 HG1 THR A 73 5.092 -6.026 -8.265 1.00 0.00 H new ATOM 0 HG21 THR A 73 4.056 -2.832 -7.840 1.00 0.00 H new ATOM 0 HG22 THR A 73 5.384 -1.995 -8.677 1.00 0.00 H new ATOM 0 HG23 THR A 73 4.113 -2.811 -9.618 1.00 0.00 H new ATOM 1111 N LEU A 74 8.489 -3.152 -9.073 1.00 0.00 N ATOM 1112 CA LEU A 74 9.482 -2.093 -8.933 1.00 0.00 C ATOM 1113 C LEU A 74 10.234 -1.876 -10.243 1.00 0.00 C ATOM 1114 O LEU A 74 10.219 -0.780 -10.803 1.00 0.00 O ATOM 1115 CB LEU A 74 10.470 -2.437 -7.817 1.00 0.00 C ATOM 1116 CG LEU A 74 11.781 -1.651 -7.815 1.00 0.00 C ATOM 1117 CD1 LEU A 74 11.623 -0.350 -7.043 1.00 0.00 C ATOM 1118 CD2 LEU A 74 12.905 -2.490 -7.224 1.00 0.00 C ATOM 0 H LEU A 74 8.682 -3.987 -8.520 1.00 0.00 H new ATOM 0 HA LEU A 74 8.960 -1.171 -8.677 1.00 0.00 H new ATOM 0 HB2 LEU A 74 9.974 -2.280 -6.859 1.00 0.00 H new ATOM 0 HB3 LEU A 74 10.707 -3.499 -7.883 1.00 0.00 H new ATOM 0 HG LEU A 74 12.038 -1.409 -8.846 1.00 0.00 H new ATOM 0 HD11 LEU A 74 12.567 0.196 -7.053 1.00 0.00 H new ATOM 0 HD12 LEU A 74 10.848 0.258 -7.509 1.00 0.00 H new ATOM 0 HD13 LEU A 74 11.342 -0.570 -6.013 1.00 0.00 H new ATOM 0 HD21 LEU A 74 13.831 -1.915 -7.231 1.00 0.00 H new ATOM 0 HD22 LEU A 74 12.655 -2.763 -6.199 1.00 0.00 H new ATOM 0 HD23 LEU A 74 13.036 -3.394 -7.819 1.00 0.00 H new ATOM 1130 N GLN A 75 10.888 -2.928 -10.725 1.00 0.00 N ATOM 1131 CA GLN A 75 11.643 -2.852 -11.970 1.00 0.00 C ATOM 1132 C GLN A 75 10.829 -2.164 -13.060 1.00 0.00 C ATOM 1133 O GLN A 75 11.280 -1.191 -13.664 1.00 0.00 O ATOM 1134 CB GLN A 75 12.052 -4.252 -12.429 1.00 0.00 C ATOM 1135 CG GLN A 75 13.045 -4.932 -11.500 1.00 0.00 C ATOM 1136 CD GLN A 75 14.486 -4.644 -11.875 1.00 0.00 C ATOM 1137 OE1 GLN A 75 15.174 -5.493 -12.441 1.00 0.00 O ATOM 1138 NE2 GLN A 75 14.950 -3.440 -11.560 1.00 0.00 N ATOM 0 H GLN A 75 10.910 -3.842 -10.273 1.00 0.00 H new ATOM 0 HA GLN A 75 12.540 -2.261 -11.785 1.00 0.00 H new ATOM 0 HB2 GLN A 75 11.160 -4.873 -12.511 1.00 0.00 H new ATOM 0 HB3 GLN A 75 12.487 -4.186 -13.426 1.00 0.00 H new ATOM 0 HG2 GLN A 75 12.866 -4.600 -10.477 1.00 0.00 H new ATOM 0 HG3 GLN A 75 12.877 -6.009 -11.520 1.00 0.00 H new ATOM 0 HE21 GLN A 75 14.344 -2.767 -11.091 1.00 0.00 H new ATOM 0 HE22 GLN A 75 15.912 -3.189 -11.787 1.00 0.00 H new ATOM 1147 N GLN A 76 9.627 -2.676 -13.307 1.00 0.00 N ATOM 1148 CA GLN A 76 8.751 -2.111 -14.326 1.00 0.00 C ATOM 1149 C GLN A 76 8.512 -0.625 -14.075 1.00 0.00 C ATOM 1150 O GLN A 76 8.535 0.183 -15.004 1.00 0.00 O ATOM 1151 CB GLN A 76 7.416 -2.857 -14.351 1.00 0.00 C ATOM 1152 CG GLN A 76 7.543 -4.318 -14.750 1.00 0.00 C ATOM 1153 CD GLN A 76 6.409 -5.170 -14.216 1.00 0.00 C ATOM 1154 OE1 GLN A 76 5.689 -5.816 -14.978 1.00 0.00 O ATOM 1155 NE2 GLN A 76 6.244 -5.177 -12.898 1.00 0.00 N ATOM 0 H GLN A 76 9.238 -3.481 -12.815 1.00 0.00 H new ATOM 0 HA GLN A 76 9.240 -2.224 -15.293 1.00 0.00 H new ATOM 0 HB2 GLN A 76 6.957 -2.797 -13.364 1.00 0.00 H new ATOM 0 HB3 GLN A 76 6.742 -2.356 -15.046 1.00 0.00 H new ATOM 0 HG2 GLN A 76 7.568 -4.393 -15.837 1.00 0.00 H new ATOM 0 HG3 GLN A 76 8.491 -4.710 -14.382 1.00 0.00 H new ATOM 0 HE21 GLN A 76 6.864 -4.627 -12.304 1.00 0.00 H new ATOM 0 HE22 GLN A 76 5.498 -5.733 -12.480 1.00 0.00 H new ATOM 1164 N LEU A 77 8.282 -0.273 -12.815 1.00 0.00 N ATOM 1165 CA LEU A 77 8.038 1.116 -12.442 1.00 0.00 C ATOM 1166 C LEU A 77 9.181 2.013 -12.904 1.00 0.00 C ATOM 1167 O LEU A 77 10.242 1.529 -13.298 1.00 0.00 O ATOM 1168 CB LEU A 77 7.863 1.234 -10.926 1.00 0.00 C ATOM 1169 CG LEU A 77 6.425 1.165 -10.410 1.00 0.00 C ATOM 1170 CD1 LEU A 77 6.392 0.599 -8.998 1.00 0.00 C ATOM 1171 CD2 LEU A 77 5.777 2.541 -10.450 1.00 0.00 C ATOM 0 H LEU A 77 8.259 -0.930 -12.035 1.00 0.00 H new ATOM 0 HA LEU A 77 7.122 1.443 -12.935 1.00 0.00 H new ATOM 0 HB2 LEU A 77 8.437 0.438 -10.451 1.00 0.00 H new ATOM 0 HB3 LEU A 77 8.299 2.179 -10.602 1.00 0.00 H new ATOM 0 HG LEU A 77 5.857 0.499 -11.060 1.00 0.00 H new ATOM 0 HD11 LEU A 77 5.361 0.557 -8.647 1.00 0.00 H new ATOM 0 HD12 LEU A 77 6.816 -0.405 -8.998 1.00 0.00 H new ATOM 0 HD13 LEU A 77 6.975 1.239 -8.336 1.00 0.00 H new ATOM 0 HD21 LEU A 77 4.754 2.472 -10.079 1.00 0.00 H new ATOM 0 HD22 LEU A 77 6.345 3.229 -9.823 1.00 0.00 H new ATOM 0 HD23 LEU A 77 5.767 2.909 -11.476 1.00 0.00 H new ATOM 1183 N GLU A 78 8.958 3.323 -12.851 1.00 0.00 N ATOM 1184 CA GLU A 78 9.971 4.287 -13.264 1.00 0.00 C ATOM 1185 C GLU A 78 10.065 5.438 -12.266 1.00 0.00 C ATOM 1186 O GLU A 78 9.081 6.128 -12.004 1.00 0.00 O ATOM 1187 CB GLU A 78 9.652 4.831 -14.658 1.00 0.00 C ATOM 1188 CG GLU A 78 8.296 5.509 -14.750 1.00 0.00 C ATOM 1189 CD GLU A 78 8.026 6.089 -16.125 1.00 0.00 C ATOM 1190 OE1 GLU A 78 8.796 6.972 -16.559 1.00 0.00 O ATOM 1191 OE2 GLU A 78 7.046 5.659 -16.768 1.00 0.00 O ATOM 0 H GLU A 78 8.086 3.740 -12.526 1.00 0.00 H new ATOM 0 HA GLU A 78 10.933 3.775 -13.294 1.00 0.00 H new ATOM 0 HB2 GLU A 78 10.425 5.543 -14.947 1.00 0.00 H new ATOM 0 HB3 GLU A 78 9.689 4.012 -15.376 1.00 0.00 H new ATOM 0 HG2 GLU A 78 7.516 4.788 -14.504 1.00 0.00 H new ATOM 0 HG3 GLU A 78 8.240 6.304 -14.007 1.00 0.00 H new ATOM 1198 N ALA A 79 11.257 5.638 -11.713 1.00 0.00 N ATOM 1199 CA ALA A 79 11.481 6.705 -10.745 1.00 0.00 C ATOM 1200 C ALA A 79 10.817 8.002 -11.195 1.00 0.00 C ATOM 1201 O ALA A 79 10.519 8.198 -12.373 1.00 0.00 O ATOM 1202 CB ALA A 79 12.972 6.919 -10.532 1.00 0.00 C ATOM 0 H ALA A 79 12.082 5.075 -11.919 1.00 0.00 H new ATOM 0 HA ALA A 79 11.029 6.406 -9.799 1.00 0.00 H new ATOM 0 HB1 ALA A 79 13.125 7.718 -9.807 1.00 0.00 H new ATOM 0 HB2 ALA A 79 13.422 5.999 -10.158 1.00 0.00 H new ATOM 0 HB3 ALA A 79 13.439 7.193 -11.478 1.00 0.00 H new ATOM 1208 N PRO A 80 10.578 8.908 -10.236 1.00 0.00 N ATOM 1209 CA PRO A 80 10.927 8.685 -8.830 1.00 0.00 C ATOM 1210 C PRO A 80 10.053 7.620 -8.178 1.00 0.00 C ATOM 1211 O PRO A 80 10.320 7.184 -7.058 1.00 0.00 O ATOM 1212 CB PRO A 80 10.681 10.050 -8.182 1.00 0.00 C ATOM 1213 CG PRO A 80 9.668 10.706 -9.055 1.00 0.00 C ATOM 1214 CD PRO A 80 9.947 10.222 -10.451 1.00 0.00 C ATOM 0 HA PRO A 80 11.949 8.322 -8.716 1.00 0.00 H new ATOM 0 HB2 PRO A 80 10.314 9.943 -7.161 1.00 0.00 H new ATOM 0 HB3 PRO A 80 11.599 10.636 -8.131 1.00 0.00 H new ATOM 0 HG2 PRO A 80 8.657 10.442 -8.745 1.00 0.00 H new ATOM 0 HG3 PRO A 80 9.746 11.792 -8.996 1.00 0.00 H new ATOM 0 HD2 PRO A 80 9.032 10.137 -11.038 1.00 0.00 H new ATOM 0 HD3 PRO A 80 10.608 10.902 -10.988 1.00 0.00 H new ATOM 1222 N TYR A 81 9.007 7.205 -8.885 1.00 0.00 N ATOM 1223 CA TYR A 81 8.092 6.192 -8.373 1.00 0.00 C ATOM 1224 C TYR A 81 8.859 5.033 -7.744 1.00 0.00 C ATOM 1225 O TYR A 81 8.685 4.725 -6.566 1.00 0.00 O ATOM 1226 CB TYR A 81 7.192 5.673 -9.496 1.00 0.00 C ATOM 1227 CG TYR A 81 6.620 6.768 -10.368 1.00 0.00 C ATOM 1228 CD1 TYR A 81 6.149 7.951 -9.811 1.00 0.00 C ATOM 1229 CD2 TYR A 81 6.548 6.619 -11.747 1.00 0.00 C ATOM 1230 CE1 TYR A 81 5.625 8.954 -10.603 1.00 0.00 C ATOM 1231 CE2 TYR A 81 6.027 7.617 -12.547 1.00 0.00 C ATOM 1232 CZ TYR A 81 5.566 8.783 -11.971 1.00 0.00 C ATOM 1233 OH TYR A 81 5.044 9.779 -12.764 1.00 0.00 O ATOM 0 H TYR A 81 8.772 7.555 -9.814 1.00 0.00 H new ATOM 0 HA TYR A 81 7.473 6.654 -7.604 1.00 0.00 H new ATOM 0 HB2 TYR A 81 7.763 4.985 -10.119 1.00 0.00 H new ATOM 0 HB3 TYR A 81 6.372 5.102 -9.059 1.00 0.00 H new ATOM 0 HD1 TYR A 81 6.193 8.088 -8.741 1.00 0.00 H new ATOM 0 HD2 TYR A 81 6.906 5.707 -12.202 1.00 0.00 H new ATOM 0 HE1 TYR A 81 5.263 9.867 -10.154 1.00 0.00 H new ATOM 0 HE2 TYR A 81 5.981 7.485 -13.618 1.00 0.00 H new ATOM 0 HH TYR A 81 4.220 9.461 -13.189 1.00 0.00 H new ATOM 1243 N ASN A 82 9.709 4.393 -8.541 1.00 0.00 N ATOM 1244 CA ASN A 82 10.504 3.267 -8.063 1.00 0.00 C ATOM 1245 C ASN A 82 11.660 3.748 -7.192 1.00 0.00 C ATOM 1246 O ASN A 82 12.069 3.065 -6.253 1.00 0.00 O ATOM 1247 CB ASN A 82 11.043 2.459 -9.246 1.00 0.00 C ATOM 1248 CG ASN A 82 12.388 2.968 -9.728 1.00 0.00 C ATOM 1249 OD1 ASN A 82 13.352 3.025 -8.965 1.00 0.00 O ATOM 1250 ND2 ASN A 82 12.458 3.340 -11.001 1.00 0.00 N ATOM 0 H ASN A 82 9.865 4.634 -9.520 1.00 0.00 H new ATOM 0 HA ASN A 82 9.859 2.629 -7.459 1.00 0.00 H new ATOM 0 HB2 ASN A 82 11.136 1.413 -8.956 1.00 0.00 H new ATOM 0 HB3 ASN A 82 10.327 2.499 -10.067 1.00 0.00 H new ATOM 0 HD21 ASN A 82 13.337 3.690 -11.382 1.00 0.00 H new ATOM 0 HD22 ASN A 82 11.633 3.275 -11.597 1.00 0.00 H new ATOM 1257 N SER A 83 12.183 4.928 -7.510 1.00 0.00 N ATOM 1258 CA SER A 83 13.294 5.500 -6.759 1.00 0.00 C ATOM 1259 C SER A 83 13.169 5.176 -5.273 1.00 0.00 C ATOM 1260 O SER A 83 14.123 4.718 -4.644 1.00 0.00 O ATOM 1261 CB SER A 83 13.347 7.015 -6.960 1.00 0.00 C ATOM 1262 OG SER A 83 14.460 7.580 -6.288 1.00 0.00 O ATOM 0 H SER A 83 11.855 5.507 -8.283 1.00 0.00 H new ATOM 0 HA SER A 83 14.218 5.059 -7.133 1.00 0.00 H new ATOM 0 HB2 SER A 83 13.407 7.242 -8.024 1.00 0.00 H new ATOM 0 HB3 SER A 83 12.427 7.467 -6.589 1.00 0.00 H new ATOM 0 HG SER A 83 14.472 8.549 -6.433 1.00 0.00 H new ATOM 1268 N ASP A 84 11.986 5.418 -4.719 1.00 0.00 N ATOM 1269 CA ASP A 84 11.734 5.152 -3.308 1.00 0.00 C ATOM 1270 C ASP A 84 11.166 3.750 -3.112 1.00 0.00 C ATOM 1271 O ASP A 84 9.950 3.554 -3.114 1.00 0.00 O ATOM 1272 CB ASP A 84 10.768 6.191 -2.736 1.00 0.00 C ATOM 1273 CG ASP A 84 11.449 7.514 -2.442 1.00 0.00 C ATOM 1274 OD1 ASP A 84 12.518 7.775 -3.032 1.00 0.00 O ATOM 1275 OD2 ASP A 84 10.912 8.288 -1.623 1.00 0.00 O ATOM 0 H ASP A 84 11.187 5.798 -5.226 1.00 0.00 H new ATOM 0 HA ASP A 84 12.683 5.218 -2.776 1.00 0.00 H new ATOM 0 HB2 ASP A 84 9.954 6.354 -3.442 1.00 0.00 H new ATOM 0 HB3 ASP A 84 10.323 5.803 -1.820 1.00 0.00 H new ATOM 1280 N THR A 85 12.054 2.775 -2.944 1.00 0.00 N ATOM 1281 CA THR A 85 11.642 1.390 -2.750 1.00 0.00 C ATOM 1282 C THR A 85 10.711 1.257 -1.550 1.00 0.00 C ATOM 1283 O THR A 85 9.688 0.576 -1.618 1.00 0.00 O ATOM 1284 CB THR A 85 12.857 0.466 -2.547 1.00 0.00 C ATOM 1285 OG1 THR A 85 13.701 0.985 -1.513 1.00 0.00 O ATOM 1286 CG2 THR A 85 13.653 0.328 -3.837 1.00 0.00 C ATOM 0 H THR A 85 13.064 2.919 -2.938 1.00 0.00 H new ATOM 0 HA THR A 85 11.112 1.088 -3.653 1.00 0.00 H new ATOM 0 HB THR A 85 12.492 -0.519 -2.256 1.00 0.00 H new ATOM 0 HG1 THR A 85 14.470 0.390 -1.389 1.00 0.00 H new ATOM 0 HG21 THR A 85 14.506 -0.329 -3.669 1.00 0.00 H new ATOM 0 HG22 THR A 85 13.016 -0.095 -4.614 1.00 0.00 H new ATOM 0 HG23 THR A 85 14.007 1.309 -4.153 1.00 0.00 H new ATOM 1294 N VAL A 86 11.072 1.912 -0.451 1.00 0.00 N ATOM 1295 CA VAL A 86 10.268 1.868 0.764 1.00 0.00 C ATOM 1296 C VAL A 86 8.797 2.128 0.459 1.00 0.00 C ATOM 1297 O VAL A 86 7.911 1.479 1.018 1.00 0.00 O ATOM 1298 CB VAL A 86 10.756 2.900 1.798 1.00 0.00 C ATOM 1299 CG1 VAL A 86 10.278 4.296 1.427 1.00 0.00 C ATOM 1300 CG2 VAL A 86 10.284 2.520 3.193 1.00 0.00 C ATOM 0 H VAL A 86 11.916 2.479 -0.377 1.00 0.00 H new ATOM 0 HA VAL A 86 10.379 0.867 1.181 1.00 0.00 H new ATOM 0 HB VAL A 86 11.846 2.903 1.796 1.00 0.00 H new ATOM 0 HG11 VAL A 86 10.633 5.011 2.169 1.00 0.00 H new ATOM 0 HG12 VAL A 86 10.670 4.566 0.446 1.00 0.00 H new ATOM 0 HG13 VAL A 86 9.188 4.312 1.399 1.00 0.00 H new ATOM 0 HG21 VAL A 86 10.638 3.260 3.911 1.00 0.00 H new ATOM 0 HG22 VAL A 86 9.195 2.488 3.212 1.00 0.00 H new ATOM 0 HG23 VAL A 86 10.681 1.540 3.457 1.00 0.00 H new ATOM 1310 N LEU A 87 8.542 3.080 -0.432 1.00 0.00 N ATOM 1311 CA LEU A 87 7.177 3.426 -0.813 1.00 0.00 C ATOM 1312 C LEU A 87 6.539 2.307 -1.629 1.00 0.00 C ATOM 1313 O LEU A 87 5.392 1.928 -1.393 1.00 0.00 O ATOM 1314 CB LEU A 87 7.165 4.729 -1.615 1.00 0.00 C ATOM 1315 CG LEU A 87 5.863 5.529 -1.576 1.00 0.00 C ATOM 1316 CD1 LEU A 87 5.503 5.894 -0.144 1.00 0.00 C ATOM 1317 CD2 LEU A 87 5.981 6.781 -2.433 1.00 0.00 C ATOM 0 H LEU A 87 9.263 3.626 -0.904 1.00 0.00 H new ATOM 0 HA LEU A 87 6.595 3.562 0.099 1.00 0.00 H new ATOM 0 HB2 LEU A 87 7.970 5.365 -1.248 1.00 0.00 H new ATOM 0 HB3 LEU A 87 7.393 4.494 -2.655 1.00 0.00 H new ATOM 0 HG LEU A 87 5.065 4.908 -1.982 1.00 0.00 H new ATOM 0 HD11 LEU A 87 4.573 6.463 -0.136 1.00 0.00 H new ATOM 0 HD12 LEU A 87 5.376 4.984 0.443 1.00 0.00 H new ATOM 0 HD13 LEU A 87 6.301 6.497 0.289 1.00 0.00 H new ATOM 0 HD21 LEU A 87 5.045 7.338 -2.394 1.00 0.00 H new ATOM 0 HD22 LEU A 87 6.791 7.405 -2.056 1.00 0.00 H new ATOM 0 HD23 LEU A 87 6.191 6.498 -3.464 1.00 0.00 H new ATOM 1329 N VAL A 88 7.292 1.780 -2.590 1.00 0.00 N ATOM 1330 CA VAL A 88 6.801 0.701 -3.440 1.00 0.00 C ATOM 1331 C VAL A 88 6.435 -0.526 -2.613 1.00 0.00 C ATOM 1332 O VAL A 88 5.491 -1.247 -2.937 1.00 0.00 O ATOM 1333 CB VAL A 88 7.847 0.301 -4.498 1.00 0.00 C ATOM 1334 CG1 VAL A 88 7.353 -0.882 -5.316 1.00 0.00 C ATOM 1335 CG2 VAL A 88 8.172 1.483 -5.398 1.00 0.00 C ATOM 0 H VAL A 88 8.243 2.082 -2.799 1.00 0.00 H new ATOM 0 HA VAL A 88 5.910 1.074 -3.944 1.00 0.00 H new ATOM 0 HB VAL A 88 8.761 0.001 -3.985 1.00 0.00 H new ATOM 0 HG11 VAL A 88 8.105 -1.150 -6.058 1.00 0.00 H new ATOM 0 HG12 VAL A 88 7.175 -1.731 -4.656 1.00 0.00 H new ATOM 0 HG13 VAL A 88 6.425 -0.613 -5.821 1.00 0.00 H new ATOM 0 HG21 VAL A 88 8.912 1.183 -6.139 1.00 0.00 H new ATOM 0 HG22 VAL A 88 7.266 1.815 -5.904 1.00 0.00 H new ATOM 0 HG23 VAL A 88 8.571 2.299 -4.796 1.00 0.00 H new ATOM 1345 N HIS A 89 7.189 -0.758 -1.543 1.00 0.00 N ATOM 1346 CA HIS A 89 6.943 -1.899 -0.668 1.00 0.00 C ATOM 1347 C HIS A 89 5.648 -1.712 0.118 1.00 0.00 C ATOM 1348 O HIS A 89 4.878 -2.656 0.297 1.00 0.00 O ATOM 1349 CB HIS A 89 8.115 -2.091 0.296 1.00 0.00 C ATOM 1350 CG HIS A 89 8.117 -3.425 0.977 1.00 0.00 C ATOM 1351 ND1 HIS A 89 7.132 -3.822 1.858 1.00 0.00 N ATOM 1352 CD2 HIS A 89 8.990 -4.456 0.902 1.00 0.00 C ATOM 1353 CE1 HIS A 89 7.401 -5.038 2.296 1.00 0.00 C ATOM 1354 NE2 HIS A 89 8.523 -5.446 1.731 1.00 0.00 N ATOM 0 H HIS A 89 7.975 -0.172 -1.261 1.00 0.00 H new ATOM 0 HA HIS A 89 6.844 -2.788 -1.290 1.00 0.00 H new ATOM 0 HB2 HIS A 89 9.049 -1.971 -0.252 1.00 0.00 H new ATOM 0 HB3 HIS A 89 8.086 -1.306 1.052 1.00 0.00 H new ATOM 0 HD2 HIS A 89 9.887 -4.493 0.302 1.00 0.00 H new ATOM 0 HE1 HIS A 89 6.805 -5.603 2.997 1.00 0.00 H new ATOM 0 HE2 HIS A 89 8.970 -6.350 1.885 1.00 0.00 H new ATOM 1363 N ARG A 90 5.416 -0.490 0.584 1.00 0.00 N ATOM 1364 CA ARG A 90 4.216 -0.180 1.351 1.00 0.00 C ATOM 1365 C ARG A 90 2.981 -0.181 0.455 1.00 0.00 C ATOM 1366 O ARG A 90 1.979 -0.826 0.761 1.00 0.00 O ATOM 1367 CB ARG A 90 4.360 1.179 2.038 1.00 0.00 C ATOM 1368 CG ARG A 90 5.473 1.225 3.072 1.00 0.00 C ATOM 1369 CD ARG A 90 5.778 2.652 3.499 1.00 0.00 C ATOM 1370 NE ARG A 90 4.973 3.064 4.646 1.00 0.00 N ATOM 1371 CZ ARG A 90 5.309 2.815 5.907 1.00 0.00 C ATOM 1372 NH1 ARG A 90 6.428 2.160 6.182 1.00 0.00 N ATOM 1373 NH2 ARG A 90 4.524 3.223 6.896 1.00 0.00 N ATOM 0 H ARG A 90 6.043 0.302 0.444 1.00 0.00 H new ATOM 0 HA ARG A 90 4.092 -0.952 2.111 1.00 0.00 H new ATOM 0 HB2 ARG A 90 4.547 1.941 1.281 1.00 0.00 H new ATOM 0 HB3 ARG A 90 3.417 1.434 2.521 1.00 0.00 H new ATOM 0 HG2 ARG A 90 5.186 0.637 3.944 1.00 0.00 H new ATOM 0 HG3 ARG A 90 6.372 0.767 2.661 1.00 0.00 H new ATOM 0 HD2 ARG A 90 6.836 2.737 3.749 1.00 0.00 H new ATOM 0 HD3 ARG A 90 5.592 3.328 2.664 1.00 0.00 H new ATOM 0 HE ARG A 90 4.106 3.571 4.469 1.00 0.00 H new ATOM 0 HH11 ARG A 90 7.034 1.845 5.424 1.00 0.00 H new ATOM 0 HH12 ARG A 90 6.683 1.971 7.151 1.00 0.00 H new ATOM 0 HH21 ARG A 90 3.662 3.728 6.688 1.00 0.00 H new ATOM 0 HH22 ARG A 90 4.782 3.032 7.864 1.00 0.00 H new ATOM 1387 N VAL A 91 3.062 0.547 -0.655 1.00 0.00 N ATOM 1388 CA VAL A 91 1.952 0.630 -1.597 1.00 0.00 C ATOM 1389 C VAL A 91 1.547 -0.754 -2.093 1.00 0.00 C ATOM 1390 O VAL A 91 0.405 -1.179 -1.915 1.00 0.00 O ATOM 1391 CB VAL A 91 2.308 1.513 -2.807 1.00 0.00 C ATOM 1392 CG1 VAL A 91 1.193 1.477 -3.841 1.00 0.00 C ATOM 1393 CG2 VAL A 91 2.585 2.941 -2.361 1.00 0.00 C ATOM 0 H VAL A 91 3.884 1.087 -0.923 1.00 0.00 H new ATOM 0 HA VAL A 91 1.116 1.080 -1.062 1.00 0.00 H new ATOM 0 HB VAL A 91 3.213 1.118 -3.269 1.00 0.00 H new ATOM 0 HG11 VAL A 91 1.462 2.107 -4.689 1.00 0.00 H new ATOM 0 HG12 VAL A 91 1.046 0.452 -4.182 1.00 0.00 H new ATOM 0 HG13 VAL A 91 0.270 1.846 -3.394 1.00 0.00 H new ATOM 0 HG21 VAL A 91 2.835 3.551 -3.229 1.00 0.00 H new ATOM 0 HG22 VAL A 91 1.699 3.348 -1.874 1.00 0.00 H new ATOM 0 HG23 VAL A 91 3.420 2.948 -1.660 1.00 0.00 H new ATOM 1403 N HIS A 92 2.491 -1.453 -2.715 1.00 0.00 N ATOM 1404 CA HIS A 92 2.234 -2.790 -3.237 1.00 0.00 C ATOM 1405 C HIS A 92 1.516 -3.649 -2.199 1.00 0.00 C ATOM 1406 O HIS A 92 0.730 -4.531 -2.546 1.00 0.00 O ATOM 1407 CB HIS A 92 3.544 -3.460 -3.652 1.00 0.00 C ATOM 1408 CG HIS A 92 3.350 -4.735 -4.412 1.00 0.00 C ATOM 1409 ND1 HIS A 92 3.147 -5.954 -3.799 1.00 0.00 N ATOM 1410 CD2 HIS A 92 3.327 -4.978 -5.744 1.00 0.00 C ATOM 1411 CE1 HIS A 92 3.010 -6.890 -4.720 1.00 0.00 C ATOM 1412 NE2 HIS A 92 3.114 -6.324 -5.909 1.00 0.00 N ATOM 0 H HIS A 92 3.441 -1.115 -2.870 1.00 0.00 H new ATOM 0 HA HIS A 92 1.591 -2.694 -4.112 1.00 0.00 H new ATOM 0 HB2 HIS A 92 4.120 -2.766 -4.264 1.00 0.00 H new ATOM 0 HB3 HIS A 92 4.136 -3.665 -2.760 1.00 0.00 H new ATOM 0 HD2 HIS A 92 3.453 -4.248 -6.530 1.00 0.00 H new ATOM 0 HE1 HIS A 92 2.841 -7.940 -4.533 1.00 0.00 H new ATOM 0 HE2 HIS A 92 3.047 -6.808 -6.804 1.00 0.00 H new ATOM 1421 N SER A 93 1.793 -3.385 -0.926 1.00 0.00 N ATOM 1422 CA SER A 93 1.178 -4.137 0.161 1.00 0.00 C ATOM 1423 C SER A 93 -0.315 -3.834 0.254 1.00 0.00 C ATOM 1424 O SER A 93 -1.150 -4.731 0.136 1.00 0.00 O ATOM 1425 CB SER A 93 1.861 -3.805 1.489 1.00 0.00 C ATOM 1426 OG SER A 93 1.790 -4.899 2.387 1.00 0.00 O ATOM 0 H SER A 93 2.439 -2.656 -0.622 1.00 0.00 H new ATOM 0 HA SER A 93 1.303 -5.199 -0.048 1.00 0.00 H new ATOM 0 HB2 SER A 93 2.904 -3.545 1.310 1.00 0.00 H new ATOM 0 HB3 SER A 93 1.387 -2.932 1.937 1.00 0.00 H new ATOM 0 HG SER A 93 2.235 -4.662 3.227 1.00 0.00 H new ATOM 1432 N TYR A 94 -0.642 -2.564 0.467 1.00 0.00 N ATOM 1433 CA TYR A 94 -2.033 -2.142 0.578 1.00 0.00 C ATOM 1434 C TYR A 94 -2.891 -2.801 -0.498 1.00 0.00 C ATOM 1435 O TYR A 94 -4.044 -3.161 -0.256 1.00 0.00 O ATOM 1436 CB TYR A 94 -2.137 -0.620 0.467 1.00 0.00 C ATOM 1437 CG TYR A 94 -3.450 -0.143 -0.109 1.00 0.00 C ATOM 1438 CD1 TYR A 94 -3.652 -0.094 -1.483 1.00 0.00 C ATOM 1439 CD2 TYR A 94 -4.490 0.259 0.720 1.00 0.00 C ATOM 1440 CE1 TYR A 94 -4.851 0.342 -2.014 1.00 0.00 C ATOM 1441 CE2 TYR A 94 -5.693 0.695 0.198 1.00 0.00 C ATOM 1442 CZ TYR A 94 -5.868 0.735 -1.169 1.00 0.00 C ATOM 1443 OH TYR A 94 -7.064 1.169 -1.694 1.00 0.00 O ATOM 0 H TYR A 94 0.037 -1.809 0.566 1.00 0.00 H new ATOM 0 HA TYR A 94 -2.403 -2.455 1.554 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -2.004 -0.182 1.456 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -1.322 -0.253 -0.157 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -2.858 -0.402 -2.147 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -4.356 0.230 1.791 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -4.991 0.375 -3.084 1.00 0.00 H new ATOM 0 HE2 TYR A 94 -6.491 1.003 0.857 1.00 0.00 H new ATOM 0 HH TYR A 94 -7.674 1.408 -0.965 1.00 0.00 H new ATOM 1453 N LEU A 95 -2.319 -2.957 -1.687 1.00 0.00 N ATOM 1454 CA LEU A 95 -3.029 -3.574 -2.802 1.00 0.00 C ATOM 1455 C LEU A 95 -3.233 -5.066 -2.560 1.00 0.00 C ATOM 1456 O LEU A 95 -4.364 -5.535 -2.438 1.00 0.00 O ATOM 1457 CB LEU A 95 -2.258 -3.357 -4.105 1.00 0.00 C ATOM 1458 CG LEU A 95 -2.250 -1.929 -4.652 1.00 0.00 C ATOM 1459 CD1 LEU A 95 -1.183 -1.774 -5.724 1.00 0.00 C ATOM 1460 CD2 LEU A 95 -3.620 -1.562 -5.203 1.00 0.00 C ATOM 0 H LEU A 95 -1.366 -2.665 -1.904 1.00 0.00 H new ATOM 0 HA LEU A 95 -4.008 -3.102 -2.883 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -1.226 -3.670 -3.949 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -2.679 -4.014 -4.866 1.00 0.00 H new ATOM 0 HG LEU A 95 -2.015 -1.248 -3.834 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -1.192 -0.751 -6.101 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -0.204 -1.995 -5.298 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -1.386 -2.465 -6.542 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -3.596 -0.543 -5.588 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -3.884 -2.248 -6.008 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -4.363 -1.632 -4.408 1.00 0.00 H new ATOM 1472 N GLU A 96 -2.130 -5.805 -2.489 1.00 0.00 N ATOM 1473 CA GLU A 96 -2.189 -7.243 -2.259 1.00 0.00 C ATOM 1474 C GLU A 96 -2.932 -7.558 -0.965 1.00 0.00 C ATOM 1475 O GLU A 96 -3.948 -8.254 -0.973 1.00 0.00 O ATOM 1476 CB GLU A 96 -0.777 -7.831 -2.205 1.00 0.00 C ATOM 1477 CG GLU A 96 -0.748 -9.314 -1.876 1.00 0.00 C ATOM 1478 CD GLU A 96 0.605 -9.772 -1.365 1.00 0.00 C ATOM 1479 OE1 GLU A 96 1.610 -9.090 -1.657 1.00 0.00 O ATOM 1480 OE2 GLU A 96 0.658 -10.811 -0.675 1.00 0.00 O ATOM 0 H GLU A 96 -1.186 -5.432 -2.587 1.00 0.00 H new ATOM 0 HA GLU A 96 -2.733 -7.695 -3.088 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -0.289 -7.671 -3.166 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -0.196 -7.290 -1.458 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -1.508 -9.531 -1.125 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -1.008 -9.885 -2.767 1.00 0.00 H new ATOM 1487 N ARG A 97 -2.419 -7.040 0.146 1.00 0.00 N ATOM 1488 CA ARG A 97 -3.033 -7.267 1.449 1.00 0.00 C ATOM 1489 C ARG A 97 -4.551 -7.143 1.364 1.00 0.00 C ATOM 1490 O ARG A 97 -5.283 -8.025 1.816 1.00 0.00 O ATOM 1491 CB ARG A 97 -2.486 -6.272 2.474 1.00 0.00 C ATOM 1492 CG ARG A 97 -1.000 -6.434 2.749 1.00 0.00 C ATOM 1493 CD ARG A 97 -0.706 -7.741 3.469 1.00 0.00 C ATOM 1494 NE ARG A 97 -1.410 -7.832 4.745 1.00 0.00 N ATOM 1495 CZ ARG A 97 -1.699 -8.982 5.344 1.00 0.00 C ATOM 1496 NH1 ARG A 97 -1.346 -10.132 4.786 1.00 0.00 N ATOM 1497 NH2 ARG A 97 -2.341 -8.984 6.505 1.00 0.00 N ATOM 0 H ARG A 97 -1.580 -6.460 0.170 1.00 0.00 H new ATOM 0 HA ARG A 97 -2.786 -8.280 1.768 1.00 0.00 H new ATOM 0 HB2 ARG A 97 -2.673 -5.258 2.119 1.00 0.00 H new ATOM 0 HB3 ARG A 97 -3.034 -6.388 3.409 1.00 0.00 H new ATOM 0 HG2 ARG A 97 -0.449 -6.403 1.809 1.00 0.00 H new ATOM 0 HG3 ARG A 97 -0.647 -5.598 3.352 1.00 0.00 H new ATOM 0 HD2 ARG A 97 -0.996 -8.578 2.834 1.00 0.00 H new ATOM 0 HD3 ARG A 97 0.367 -7.828 3.640 1.00 0.00 H new ATOM 0 HE ARG A 97 -1.695 -6.966 5.201 1.00 0.00 H new ATOM 0 HH11 ARG A 97 -0.851 -10.135 3.894 1.00 0.00 H new ATOM 0 HH12 ARG A 97 -1.569 -11.013 5.249 1.00 0.00 H new ATOM 0 HH21 ARG A 97 -2.613 -8.102 6.939 1.00 0.00 H new ATOM 0 HH22 ARG A 97 -2.562 -9.868 6.964 1.00 0.00 H new ATOM 1511 N HIS A 98 -5.019 -6.043 0.782 1.00 0.00 N ATOM 1512 CA HIS A 98 -6.450 -5.804 0.637 1.00 0.00 C ATOM 1513 C HIS A 98 -7.091 -6.865 -0.251 1.00 0.00 C ATOM 1514 O HIS A 98 -8.165 -7.380 0.056 1.00 0.00 O ATOM 1515 CB HIS A 98 -6.700 -4.413 0.052 1.00 0.00 C ATOM 1516 CG HIS A 98 -6.551 -3.307 1.051 1.00 0.00 C ATOM 1517 ND1 HIS A 98 -7.265 -2.130 0.982 1.00 0.00 N ATOM 1518 CD2 HIS A 98 -5.766 -3.205 2.148 1.00 0.00 C ATOM 1519 CE1 HIS A 98 -6.925 -1.351 1.992 1.00 0.00 C ATOM 1520 NE2 HIS A 98 -6.016 -1.980 2.716 1.00 0.00 N ATOM 0 H HIS A 98 -4.428 -5.303 0.403 1.00 0.00 H new ATOM 0 HA HIS A 98 -6.904 -5.861 1.626 1.00 0.00 H new ATOM 0 HB2 HIS A 98 -6.006 -4.244 -0.771 1.00 0.00 H new ATOM 0 HB3 HIS A 98 -7.706 -4.380 -0.367 1.00 0.00 H new ATOM 0 HD2 HIS A 98 -5.072 -3.949 2.510 1.00 0.00 H new ATOM 0 HE1 HIS A 98 -7.322 -0.367 2.192 1.00 0.00 H new ATOM 0 HE2 HIS A 98 -5.573 -1.615 3.559 1.00 0.00 H new ATOM 1529 N GLY A 99 -6.424 -7.188 -1.356 1.00 0.00 N ATOM 1530 CA GLY A 99 -6.945 -8.185 -2.272 1.00 0.00 C ATOM 1531 C GLY A 99 -7.273 -7.607 -3.634 1.00 0.00 C ATOM 1532 O GLY A 99 -8.204 -8.060 -4.302 1.00 0.00 O ATOM 0 H GLY A 99 -5.532 -6.777 -1.632 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -6.214 -8.985 -2.387 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -7.843 -8.632 -1.845 1.00 0.00 H new ATOM 1536 N LEU A 100 -6.509 -6.602 -4.047 1.00 0.00 N ATOM 1537 CA LEU A 100 -6.724 -5.958 -5.339 1.00 0.00 C ATOM 1538 C LEU A 100 -5.765 -6.510 -6.389 1.00 0.00 C ATOM 1539 O LEU A 100 -5.947 -6.289 -7.586 1.00 0.00 O ATOM 1540 CB LEU A 100 -6.544 -4.444 -5.213 1.00 0.00 C ATOM 1541 CG LEU A 100 -7.168 -3.795 -3.977 1.00 0.00 C ATOM 1542 CD1 LEU A 100 -7.565 -2.357 -4.272 1.00 0.00 C ATOM 1543 CD2 LEU A 100 -8.371 -4.596 -3.503 1.00 0.00 C ATOM 0 H LEU A 100 -5.735 -6.215 -3.507 1.00 0.00 H new ATOM 0 HA LEU A 100 -7.744 -6.171 -5.658 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -5.476 -4.224 -5.215 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -6.968 -3.973 -6.100 1.00 0.00 H new ATOM 0 HG LEU A 100 -6.425 -3.789 -3.180 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -8.007 -1.912 -3.381 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -6.682 -1.788 -4.562 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -8.291 -2.339 -5.085 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -8.802 -4.119 -2.623 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -9.117 -4.635 -4.296 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -8.057 -5.609 -3.250 1.00 0.00 H new ATOM 1555 N ILE A 101 -4.746 -7.230 -5.931 1.00 0.00 N ATOM 1556 CA ILE A 101 -3.761 -7.816 -6.832 1.00 0.00 C ATOM 1557 C ILE A 101 -3.347 -9.207 -6.363 1.00 0.00 C ATOM 1558 O ILE A 101 -3.235 -9.461 -5.165 1.00 0.00 O ATOM 1559 CB ILE A 101 -2.506 -6.931 -6.946 1.00 0.00 C ATOM 1560 CG1 ILE A 101 -1.858 -6.747 -5.572 1.00 0.00 C ATOM 1561 CG2 ILE A 101 -2.862 -5.582 -7.554 1.00 0.00 C ATOM 1562 CD1 ILE A 101 -0.395 -6.367 -5.640 1.00 0.00 C ATOM 0 H ILE A 101 -4.581 -7.421 -4.943 1.00 0.00 H new ATOM 0 HA ILE A 101 -4.234 -7.890 -7.811 1.00 0.00 H new ATOM 0 HB ILE A 101 -1.790 -7.426 -7.602 1.00 0.00 H new ATOM 0 HG12 ILE A 101 -2.400 -5.976 -5.024 1.00 0.00 H new ATOM 0 HG13 ILE A 101 -1.959 -7.672 -5.005 1.00 0.00 H new ATOM 0 HG21 ILE A 101 -1.964 -4.968 -7.628 1.00 0.00 H new ATOM 0 HG22 ILE A 101 -3.283 -5.731 -8.548 1.00 0.00 H new ATOM 0 HG23 ILE A 101 -3.594 -5.080 -6.922 1.00 0.00 H new ATOM 0 HD11 ILE A 101 -0.001 -6.253 -4.630 1.00 0.00 H new ATOM 0 HD12 ILE A 101 0.160 -7.148 -6.160 1.00 0.00 H new ATOM 0 HD13 ILE A 101 -0.288 -5.426 -6.179 1.00 0.00 H new ATOM 1574 N ASN A 102 -3.120 -10.104 -7.318 1.00 0.00 N ATOM 1575 CA ASN A 102 -2.717 -11.469 -7.003 1.00 0.00 C ATOM 1576 C ASN A 102 -3.824 -12.204 -6.252 1.00 0.00 C ATOM 1577 O ASN A 102 -3.603 -12.734 -5.163 1.00 0.00 O ATOM 1578 CB ASN A 102 -1.435 -11.466 -6.168 1.00 0.00 C ATOM 1579 CG ASN A 102 -0.307 -10.710 -6.845 1.00 0.00 C ATOM 1580 OD1 ASN A 102 -0.532 -9.949 -7.786 1.00 0.00 O ATOM 1581 ND2 ASN A 102 0.914 -10.917 -6.367 1.00 0.00 N ATOM 0 H ASN A 102 -3.208 -9.910 -8.315 1.00 0.00 H new ATOM 0 HA ASN A 102 -2.530 -11.991 -7.942 1.00 0.00 H new ATOM 0 HB2 ASN A 102 -1.638 -11.016 -5.196 1.00 0.00 H new ATOM 0 HB3 ASN A 102 -1.121 -12.494 -5.984 1.00 0.00 H new ATOM 0 HD21 ASN A 102 1.712 -10.436 -6.782 1.00 0.00 H new ATOM 0 HD22 ASN A 102 1.054 -11.557 -5.585 1.00 0.00 H new ATOM 1588 N PHE A 103 -5.015 -12.230 -6.841 1.00 0.00 N ATOM 1589 CA PHE A 103 -6.156 -12.899 -6.228 1.00 0.00 C ATOM 1590 C PHE A 103 -6.687 -14.008 -7.132 1.00 0.00 C ATOM 1591 O PHE A 103 -7.810 -14.479 -6.961 1.00 0.00 O ATOM 1592 CB PHE A 103 -7.268 -11.890 -5.934 1.00 0.00 C ATOM 1593 CG PHE A 103 -7.586 -10.992 -7.096 1.00 0.00 C ATOM 1594 CD1 PHE A 103 -8.045 -11.521 -8.291 1.00 0.00 C ATOM 1595 CD2 PHE A 103 -7.424 -9.620 -6.993 1.00 0.00 C ATOM 1596 CE1 PHE A 103 -8.339 -10.698 -9.362 1.00 0.00 C ATOM 1597 CE2 PHE A 103 -7.717 -8.792 -8.060 1.00 0.00 C ATOM 1598 CZ PHE A 103 -8.174 -9.332 -9.246 1.00 0.00 C ATOM 0 H PHE A 103 -5.215 -11.796 -7.742 1.00 0.00 H new ATOM 0 HA PHE A 103 -5.823 -13.346 -5.291 1.00 0.00 H new ATOM 0 HB2 PHE A 103 -8.170 -12.429 -5.645 1.00 0.00 H new ATOM 0 HB3 PHE A 103 -6.976 -11.277 -5.081 1.00 0.00 H new ATOM 0 HD1 PHE A 103 -8.175 -12.589 -8.387 1.00 0.00 H new ATOM 0 HD2 PHE A 103 -7.065 -9.193 -6.068 1.00 0.00 H new ATOM 0 HE1 PHE A 103 -8.697 -11.123 -10.288 1.00 0.00 H new ATOM 0 HE2 PHE A 103 -7.589 -7.724 -7.966 1.00 0.00 H new ATOM 0 HZ PHE A 103 -8.402 -8.687 -10.082 1.00 0.00 H new ATOM 1608 N GLY A 104 -5.869 -14.420 -8.097 1.00 0.00 N ATOM 1609 CA GLY A 104 -6.273 -15.469 -9.014 1.00 0.00 C ATOM 1610 C GLY A 104 -5.134 -15.935 -9.899 1.00 0.00 C ATOM 1611 O GLY A 104 -5.260 -15.957 -11.124 1.00 0.00 O ATOM 0 H GLY A 104 -4.934 -14.046 -8.259 1.00 0.00 H new ATOM 0 HA2 GLY A 104 -6.658 -16.316 -8.446 1.00 0.00 H new ATOM 0 HA3 GLY A 104 -7.090 -15.107 -9.639 1.00 0.00 H new ATOM 1615 N ILE A 105 -4.020 -16.307 -9.279 1.00 0.00 N ATOM 1616 CA ILE A 105 -2.854 -16.775 -10.019 1.00 0.00 C ATOM 1617 C ILE A 105 -2.326 -18.084 -9.443 1.00 0.00 C ATOM 1618 O ILE A 105 -1.920 -18.981 -10.183 1.00 0.00 O ATOM 1619 CB ILE A 105 -1.724 -15.729 -10.008 1.00 0.00 C ATOM 1620 CG1 ILE A 105 -1.289 -15.430 -8.572 1.00 0.00 C ATOM 1621 CG2 ILE A 105 -2.174 -14.454 -10.707 1.00 0.00 C ATOM 1622 CD1 ILE A 105 -2.355 -14.740 -7.749 1.00 0.00 C ATOM 0 H ILE A 105 -3.900 -16.294 -8.266 1.00 0.00 H new ATOM 0 HA ILE A 105 -3.177 -16.938 -11.047 1.00 0.00 H new ATOM 0 HB ILE A 105 -0.869 -16.135 -10.550 1.00 0.00 H new ATOM 0 HG12 ILE A 105 -1.012 -16.364 -8.083 1.00 0.00 H new ATOM 0 HG13 ILE A 105 -0.397 -14.804 -8.594 1.00 0.00 H new ATOM 0 HG21 ILE A 105 -1.364 -13.725 -10.691 1.00 0.00 H new ATOM 0 HG22 ILE A 105 -2.439 -14.679 -11.740 1.00 0.00 H new ATOM 0 HG23 ILE A 105 -3.042 -14.043 -10.191 1.00 0.00 H new ATOM 0 HD11 ILE A 105 -1.977 -14.559 -6.743 1.00 0.00 H new ATOM 0 HD12 ILE A 105 -2.616 -13.790 -8.215 1.00 0.00 H new ATOM 0 HD13 ILE A 105 -3.240 -15.373 -7.696 1.00 0.00 H new