USER MOD reduce.3.24.130724 H: found=0, std=0, add=740, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 738 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 57 THR OG1 : rot -171:sc= 0.612 USER MOD Set 1.2: A 94 THR OG1 : rot 180:sc= 0.559 USER MOD Single : A 15 MET CE :methyl -171:sc= -0.258 (180deg=-0.379) USER MOD Single : A 20 ASN : amide:sc= 0.826 K(o=0.83,f=-0.12) USER MOD Single : A 24 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 ASN : amide:sc= -0.537 X(o=-0.54,f=-0.63) USER MOD Single : A 28 SER OG : rot 180:sc= 0.0395 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 HIS : no HD1:sc= -0.336 X(o=-0.34,f=0) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 SER OG : rot -53:sc= 1.2 USER MOD Single : A 46 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 48 GLN : amide:sc= 0.583 K(o=0.58,f=-0.28) USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 TYR OH : rot 180:sc= 0.493 USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ -172:sc= 1.27 (180deg=1.2) USER MOD Single : A 71 LYS NZ :NH3+ 164:sc= -0.0426 (180deg=-0.323) USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 GLN : amide:sc= 0 X(o=0,f=-0.42) USER MOD Single : A 78 SER OG : rot 180:sc=-0.000679 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 HIS : no HE2:sc= 0.919 K(o=0.92,f=-3.8!) USER MOD Single : A 83 MET CE :methyl -158:sc= -4.21! (180deg=-6.07!) USER MOD Single : A 91 SER OG : rot 34:sc= 0.0272 USER MOD Single : A 92 HIS : no HD1:sc= -0.154 X(o=-0.15,f=-0.0085) USER MOD Single : A 93 TYR OH : rot -147:sc= 0.752 USER MOD Single : A 96 ASN : amide:sc= -0.27 K(o=-0.27,f=-0.86) USER MOD Single : A 101 ASN : amide:sc= -0.302 K(o=-0.3,f=-8.6!) USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 SER OG : rot 70:sc= -0.466 USER MOD Single : A 115 ASN : amide:sc= -0.12 X(o=-0.12,f=-0.2) USER MOD Single : A 116 THR OG1 : rot 169:sc= 1.62 USER MOD ----------------------------------------------------------------- ATOM 128 N LEU A 13 5.107 -17.018 9.180 1.00 0.00 N ATOM 129 CA LEU A 13 4.781 -16.193 8.009 1.00 0.00 C ATOM 130 C LEU A 13 3.321 -16.408 7.580 1.00 0.00 C ATOM 131 O LEU A 13 2.804 -17.512 7.747 1.00 0.00 O ATOM 132 CB LEU A 13 5.688 -16.556 6.815 1.00 0.00 C ATOM 133 CG LEU A 13 7.156 -16.150 6.981 1.00 0.00 C ATOM 134 CD1 LEU A 13 7.960 -16.738 5.829 1.00 0.00 C ATOM 135 CD2 LEU A 13 7.341 -14.629 6.942 1.00 0.00 C ATOM 0 HA LEU A 13 4.937 -15.152 8.293 1.00 0.00 H new ATOM 0 HB2 LEU A 13 5.639 -17.633 6.653 1.00 0.00 H new ATOM 0 HB3 LEU A 13 5.293 -16.080 5.918 1.00 0.00 H new ATOM 0 HG LEU A 13 7.493 -16.521 7.949 1.00 0.00 H new ATOM 0 HD11 LEU A 13 9.008 -16.456 5.935 1.00 0.00 H new ATOM 0 HD12 LEU A 13 7.873 -17.824 5.842 1.00 0.00 H new ATOM 0 HD13 LEU A 13 7.575 -16.355 4.884 1.00 0.00 H new ATOM 0 HD21 LEU A 13 8.397 -14.388 7.064 1.00 0.00 H new ATOM 0 HD22 LEU A 13 6.989 -14.244 5.985 1.00 0.00 H new ATOM 0 HD23 LEU A 13 6.769 -14.172 7.750 1.00 0.00 H new ATOM 147 N PRO A 14 2.681 -15.423 6.928 1.00 0.00 N ATOM 148 CA PRO A 14 1.298 -15.533 6.465 1.00 0.00 C ATOM 149 C PRO A 14 1.141 -16.502 5.280 1.00 0.00 C ATOM 150 O PRO A 14 2.097 -17.165 4.858 1.00 0.00 O ATOM 151 CB PRO A 14 0.888 -14.090 6.121 1.00 0.00 C ATOM 152 CG PRO A 14 2.206 -13.495 5.655 1.00 0.00 C ATOM 153 CD PRO A 14 3.232 -14.120 6.581 1.00 0.00 C ATOM 0 HA PRO A 14 0.649 -15.964 7.227 1.00 0.00 H new ATOM 0 HB2 PRO A 14 0.126 -14.056 5.342 1.00 0.00 H new ATOM 0 HB3 PRO A 14 0.484 -13.563 6.985 1.00 0.00 H new ATOM 0 HG2 PRO A 14 2.408 -13.738 4.612 1.00 0.00 H new ATOM 0 HG3 PRO A 14 2.205 -12.408 5.735 1.00 0.00 H new ATOM 0 HD2 PRO A 14 4.200 -14.219 6.089 1.00 0.00 H new ATOM 0 HD3 PRO A 14 3.387 -13.508 7.469 1.00 0.00 H new ATOM 161 N MET A 15 -0.081 -16.587 4.747 1.00 0.00 N ATOM 162 CA MET A 15 -0.469 -17.457 3.643 1.00 0.00 C ATOM 163 C MET A 15 -1.135 -16.651 2.540 1.00 0.00 C ATOM 164 O MET A 15 -0.630 -16.649 1.420 1.00 0.00 O ATOM 165 CB MET A 15 -1.392 -18.598 4.115 1.00 0.00 C ATOM 166 CG MET A 15 -0.678 -19.552 5.074 1.00 0.00 C ATOM 167 SD MET A 15 -1.311 -21.253 5.101 1.00 0.00 S ATOM 168 CE MET A 15 -2.813 -21.054 6.090 1.00 0.00 C ATOM 0 H MET A 15 -0.859 -16.024 5.092 1.00 0.00 H new ATOM 0 HA MET A 15 0.438 -17.912 3.246 1.00 0.00 H new ATOM 0 HB2 MET A 15 -2.267 -18.176 4.608 1.00 0.00 H new ATOM 0 HB3 MET A 15 -1.751 -19.155 3.250 1.00 0.00 H new ATOM 0 HG2 MET A 15 0.379 -19.581 4.810 1.00 0.00 H new ATOM 0 HG3 MET A 15 -0.744 -19.142 6.082 1.00 0.00 H new ATOM 0 HE1 MET A 15 -3.224 -22.035 6.328 1.00 0.00 H new ATOM 0 HE2 MET A 15 -2.573 -20.527 7.014 1.00 0.00 H new ATOM 0 HE3 MET A 15 -3.547 -20.480 5.525 1.00 0.00 H new ATOM 178 N VAL A 16 -2.243 -15.965 2.841 1.00 0.00 N ATOM 179 CA VAL A 16 -3.114 -15.363 1.837 1.00 0.00 C ATOM 180 C VAL A 16 -3.262 -13.851 2.050 1.00 0.00 C ATOM 181 O VAL A 16 -3.179 -13.345 3.172 1.00 0.00 O ATOM 182 CB VAL A 16 -4.464 -16.115 1.743 1.00 0.00 C ATOM 183 CG1 VAL A 16 -4.257 -17.577 1.314 1.00 0.00 C ATOM 184 CG2 VAL A 16 -5.394 -16.079 2.960 1.00 0.00 C ATOM 0 H VAL A 16 -2.559 -15.813 3.799 1.00 0.00 H new ATOM 0 HA VAL A 16 -2.641 -15.474 0.861 1.00 0.00 H new ATOM 0 HB VAL A 16 -4.990 -15.534 0.985 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -5.223 -18.080 1.257 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -3.775 -17.605 0.337 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -3.627 -18.085 2.044 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -6.298 -16.649 2.744 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -4.886 -16.517 3.819 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -5.661 -15.046 3.184 1.00 0.00 H new ATOM 194 N ALA A 17 -3.448 -13.131 0.949 1.00 0.00 N ATOM 195 CA ALA A 17 -3.703 -11.705 0.871 1.00 0.00 C ATOM 196 C ALA A 17 -5.210 -11.435 1.001 1.00 0.00 C ATOM 197 O ALA A 17 -6.000 -12.379 0.883 1.00 0.00 O ATOM 198 CB ALA A 17 -3.197 -11.211 -0.487 1.00 0.00 C ATOM 0 H ALA A 17 -3.422 -13.563 0.025 1.00 0.00 H new ATOM 0 HA ALA A 17 -3.191 -11.182 1.679 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -3.376 -10.139 -0.574 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -2.128 -11.408 -0.571 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -3.726 -11.733 -1.284 1.00 0.00 H new ATOM 204 N PRO A 18 -5.636 -10.172 1.190 1.00 0.00 N ATOM 205 CA PRO A 18 -7.053 -9.852 1.244 1.00 0.00 C ATOM 206 C PRO A 18 -7.802 -10.196 -0.048 1.00 0.00 C ATOM 207 O PRO A 18 -7.228 -10.229 -1.142 1.00 0.00 O ATOM 208 CB PRO A 18 -7.154 -8.370 1.600 1.00 0.00 C ATOM 209 CG PRO A 18 -5.733 -7.830 1.716 1.00 0.00 C ATOM 210 CD PRO A 18 -4.804 -8.997 1.414 1.00 0.00 C ATOM 0 HA PRO A 18 -7.543 -10.466 2.000 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -7.709 -7.828 0.834 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -7.693 -8.237 2.538 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -5.570 -7.012 1.014 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -5.548 -7.435 2.715 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -4.195 -8.785 0.535 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -4.118 -9.166 2.244 1.00 0.00 H new ATOM 218 N GLY A 19 -9.109 -10.405 0.092 1.00 0.00 N ATOM 219 CA GLY A 19 -10.062 -10.488 -0.998 1.00 0.00 C ATOM 220 C GLY A 19 -10.329 -9.108 -1.602 1.00 0.00 C ATOM 221 O GLY A 19 -9.698 -8.115 -1.237 1.00 0.00 O ATOM 0 H GLY A 19 -9.544 -10.525 1.007 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -9.681 -11.158 -1.768 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -10.996 -10.917 -0.636 1.00 0.00 H new ATOM 225 N ASN A 20 -11.268 -9.071 -2.554 1.00 0.00 N ATOM 226 CA ASN A 20 -11.502 -8.011 -3.530 1.00 0.00 C ATOM 227 C ASN A 20 -11.259 -6.616 -2.987 1.00 0.00 C ATOM 228 O ASN A 20 -12.062 -6.048 -2.247 1.00 0.00 O ATOM 229 CB ASN A 20 -12.836 -8.118 -4.293 1.00 0.00 C ATOM 230 CG ASN A 20 -14.157 -8.110 -3.529 1.00 0.00 C ATOM 231 OD1 ASN A 20 -14.953 -9.038 -3.648 1.00 0.00 O ATOM 232 ND2 ASN A 20 -14.492 -7.055 -2.826 1.00 0.00 N ATOM 0 H ASN A 20 -11.930 -9.839 -2.667 1.00 0.00 H new ATOM 0 HA ASN A 20 -10.731 -8.187 -4.281 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -12.869 -7.293 -5.005 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -12.804 -9.040 -4.874 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -15.409 -7.008 -2.382 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -13.836 -6.281 -2.723 1.00 0.00 H new ATOM 239 N VAL A 21 -10.130 -6.055 -3.380 1.00 0.00 N ATOM 240 CA VAL A 21 -9.798 -4.698 -3.034 1.00 0.00 C ATOM 241 C VAL A 21 -10.682 -3.791 -3.887 1.00 0.00 C ATOM 242 O VAL A 21 -10.928 -4.059 -5.069 1.00 0.00 O ATOM 243 CB VAL A 21 -8.287 -4.517 -3.226 1.00 0.00 C ATOM 244 CG1 VAL A 21 -7.818 -3.073 -2.993 1.00 0.00 C ATOM 245 CG2 VAL A 21 -7.574 -5.461 -2.247 1.00 0.00 C ATOM 0 H VAL A 21 -9.425 -6.530 -3.945 1.00 0.00 H new ATOM 0 HA VAL A 21 -9.995 -4.438 -1.994 1.00 0.00 H new ATOM 0 HB VAL A 21 -8.043 -4.752 -4.262 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -6.740 -3.012 -3.144 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -8.321 -2.409 -3.696 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -8.059 -2.772 -1.973 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -6.495 -5.355 -2.360 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -7.858 -5.208 -1.226 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -7.862 -6.491 -2.460 1.00 0.00 H new ATOM 255 N ARG A 22 -11.185 -2.719 -3.293 1.00 0.00 N ATOM 256 CA ARG A 22 -11.942 -1.664 -3.961 1.00 0.00 C ATOM 257 C ARG A 22 -11.328 -0.353 -3.513 1.00 0.00 C ATOM 258 O ARG A 22 -10.664 -0.328 -2.483 1.00 0.00 O ATOM 259 CB ARG A 22 -13.435 -1.753 -3.600 1.00 0.00 C ATOM 260 CG ARG A 22 -13.911 -3.210 -3.524 1.00 0.00 C ATOM 261 CD ARG A 22 -15.420 -3.342 -3.410 1.00 0.00 C ATOM 262 NE ARG A 22 -15.945 -4.424 -4.255 1.00 0.00 N ATOM 263 CZ ARG A 22 -17.221 -4.600 -4.604 1.00 0.00 C ATOM 264 NH1 ARG A 22 -18.184 -3.821 -4.120 1.00 0.00 N ATOM 265 NH2 ARG A 22 -17.526 -5.570 -5.453 1.00 0.00 N ATOM 0 H ARG A 22 -11.074 -2.551 -2.293 1.00 0.00 H new ATOM 0 HA ARG A 22 -11.891 -1.757 -5.046 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -13.608 -1.262 -2.642 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -14.023 -1.216 -4.344 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -13.572 -3.743 -4.413 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -13.445 -3.693 -2.666 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -15.690 -3.531 -2.371 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -15.889 -2.400 -3.695 1.00 0.00 H new ATOM 0 HE ARG A 22 -15.271 -5.104 -4.608 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -17.954 -3.071 -3.468 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -19.153 -3.974 -4.401 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -16.791 -6.168 -5.829 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -18.496 -5.719 -5.730 1.00 0.00 H new ATOM 279 N VAL A 23 -11.470 0.720 -4.274 1.00 0.00 N ATOM 280 CA VAL A 23 -10.915 2.002 -3.890 1.00 0.00 C ATOM 281 C VAL A 23 -11.827 3.110 -4.381 1.00 0.00 C ATOM 282 O VAL A 23 -12.065 3.230 -5.583 1.00 0.00 O ATOM 283 CB VAL A 23 -9.426 2.103 -4.285 1.00 0.00 C ATOM 284 CG1 VAL A 23 -9.016 1.149 -5.405 1.00 0.00 C ATOM 285 CG2 VAL A 23 -8.875 3.515 -4.515 1.00 0.00 C ATOM 0 H VAL A 23 -11.968 0.725 -5.164 1.00 0.00 H new ATOM 0 HA VAL A 23 -10.890 2.116 -2.806 1.00 0.00 H new ATOM 0 HB VAL A 23 -8.936 1.767 -3.371 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -7.957 1.280 -5.625 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -9.197 0.121 -5.092 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -9.602 1.364 -6.299 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -7.821 3.455 -4.787 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -9.430 3.996 -5.321 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -8.981 4.100 -3.602 1.00 0.00 H new ATOM 295 N ASN A 24 -12.368 3.881 -3.442 1.00 0.00 N ATOM 296 CA ASN A 24 -13.241 5.014 -3.709 1.00 0.00 C ATOM 297 C ASN A 24 -12.422 6.290 -3.690 1.00 0.00 C ATOM 298 O ASN A 24 -11.793 6.614 -2.686 1.00 0.00 O ATOM 299 CB ASN A 24 -14.346 5.112 -2.662 1.00 0.00 C ATOM 300 CG ASN A 24 -15.179 6.361 -2.874 1.00 0.00 C ATOM 301 OD1 ASN A 24 -15.820 6.497 -3.915 1.00 0.00 O ATOM 302 ND2 ASN A 24 -15.212 7.268 -1.920 1.00 0.00 N ATOM 0 H ASN A 24 -12.205 3.728 -2.447 1.00 0.00 H new ATOM 0 HA ASN A 24 -13.702 4.873 -4.687 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -14.984 4.230 -2.717 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -13.908 5.127 -1.664 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -15.779 8.108 -2.035 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -14.671 7.130 -1.066 1.00 0.00 H new ATOM 309 N VAL A 25 -12.430 7.024 -4.793 1.00 0.00 N ATOM 310 CA VAL A 25 -11.727 8.299 -4.872 1.00 0.00 C ATOM 311 C VAL A 25 -12.670 9.376 -4.348 1.00 0.00 C ATOM 312 O VAL A 25 -13.679 9.681 -4.988 1.00 0.00 O ATOM 313 CB VAL A 25 -11.172 8.560 -6.281 1.00 0.00 C ATOM 314 CG1 VAL A 25 -10.443 9.907 -6.349 1.00 0.00 C ATOM 315 CG2 VAL A 25 -10.223 7.423 -6.675 1.00 0.00 C ATOM 0 H VAL A 25 -12.917 6.759 -5.649 1.00 0.00 H new ATOM 0 HA VAL A 25 -10.835 8.297 -4.246 1.00 0.00 H new ATOM 0 HB VAL A 25 -12.007 8.598 -6.981 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -10.061 10.064 -7.358 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -11.136 10.709 -6.094 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -9.613 9.907 -5.643 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -9.829 7.608 -7.674 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -9.399 7.374 -5.963 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -10.765 6.477 -6.668 1.00 0.00 H new ATOM 325 N VAL A 26 -12.362 9.899 -3.160 1.00 0.00 N ATOM 326 CA VAL A 26 -13.132 10.949 -2.516 1.00 0.00 C ATOM 327 C VAL A 26 -12.917 12.257 -3.276 1.00 0.00 C ATOM 328 O VAL A 26 -13.893 12.881 -3.702 1.00 0.00 O ATOM 329 CB VAL A 26 -12.740 11.076 -1.024 1.00 0.00 C ATOM 330 CG1 VAL A 26 -13.612 12.088 -0.286 1.00 0.00 C ATOM 331 CG2 VAL A 26 -12.850 9.722 -0.294 1.00 0.00 C ATOM 0 H VAL A 26 -11.556 9.595 -2.614 1.00 0.00 H new ATOM 0 HA VAL A 26 -14.193 10.702 -2.543 1.00 0.00 H new ATOM 0 HB VAL A 26 -11.705 11.419 -1.016 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -13.301 12.144 0.757 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -13.504 13.068 -0.750 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -14.655 11.775 -0.337 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -12.567 9.848 0.751 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -13.877 9.360 -0.351 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -12.184 8.999 -0.765 1.00 0.00 H new ATOM 341 N ASN A 27 -11.656 12.675 -3.420 1.00 0.00 N ATOM 342 CA ASN A 27 -11.282 14.034 -3.798 1.00 0.00 C ATOM 343 C ASN A 27 -10.279 13.990 -4.949 1.00 0.00 C ATOM 344 O ASN A 27 -9.920 12.919 -5.433 1.00 0.00 O ATOM 345 CB ASN A 27 -10.661 14.777 -2.609 1.00 0.00 C ATOM 346 CG ASN A 27 -11.570 14.902 -1.411 1.00 0.00 C ATOM 347 OD1 ASN A 27 -12.722 15.302 -1.494 1.00 0.00 O ATOM 348 ND2 ASN A 27 -11.029 14.597 -0.252 1.00 0.00 N ATOM 0 H ASN A 27 -10.853 12.063 -3.273 1.00 0.00 H new ATOM 0 HA ASN A 27 -12.181 14.565 -4.111 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -9.751 14.259 -2.307 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -10.367 15.775 -2.933 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -11.573 14.692 0.606 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -10.065 14.265 -0.211 1.00 0.00 H new ATOM 355 N SER A 28 -9.745 15.147 -5.339 1.00 0.00 N ATOM 356 CA SER A 28 -8.723 15.214 -6.386 1.00 0.00 C ATOM 357 C SER A 28 -7.409 14.564 -5.951 1.00 0.00 C ATOM 358 O SER A 28 -6.651 14.089 -6.794 1.00 0.00 O ATOM 359 CB SER A 28 -8.473 16.649 -6.869 1.00 0.00 C ATOM 360 OG SER A 28 -8.913 17.656 -5.973 1.00 0.00 O ATOM 0 H SER A 28 -10.003 16.052 -4.946 1.00 0.00 H new ATOM 0 HA SER A 28 -9.121 14.644 -7.226 1.00 0.00 H new ATOM 0 HB2 SER A 28 -7.405 16.779 -7.045 1.00 0.00 H new ATOM 0 HB3 SER A 28 -8.974 16.789 -7.827 1.00 0.00 H new ATOM 0 HG SER A 28 -8.717 18.539 -6.351 1.00 0.00 H new ATOM 366 N THR A 29 -7.135 14.558 -4.646 1.00 0.00 N ATOM 367 CA THR A 29 -5.832 14.239 -4.079 1.00 0.00 C ATOM 368 C THR A 29 -5.936 13.183 -2.971 1.00 0.00 C ATOM 369 O THR A 29 -4.955 12.933 -2.261 1.00 0.00 O ATOM 370 CB THR A 29 -5.199 15.546 -3.574 1.00 0.00 C ATOM 371 OG1 THR A 29 -6.010 16.118 -2.558 1.00 0.00 O ATOM 372 CG2 THR A 29 -5.039 16.585 -4.688 1.00 0.00 C ATOM 0 H THR A 29 -7.835 14.781 -3.938 1.00 0.00 H new ATOM 0 HA THR A 29 -5.194 13.798 -4.845 1.00 0.00 H new ATOM 0 HB THR A 29 -4.212 15.286 -3.191 1.00 0.00 H new ATOM 0 HG1 THR A 29 -5.599 16.949 -2.241 1.00 0.00 H new ATOM 0 HG21 THR A 29 -4.588 17.489 -4.280 1.00 0.00 H new ATOM 0 HG22 THR A 29 -4.398 16.182 -5.472 1.00 0.00 H new ATOM 0 HG23 THR A 29 -6.017 16.824 -5.106 1.00 0.00 H new ATOM 380 N LEU A 30 -7.127 12.604 -2.791 1.00 0.00 N ATOM 381 CA LEU A 30 -7.472 11.666 -1.742 1.00 0.00 C ATOM 382 C LEU A 30 -8.322 10.564 -2.347 1.00 0.00 C ATOM 383 O LEU A 30 -9.275 10.847 -3.077 1.00 0.00 O ATOM 384 CB LEU A 30 -8.271 12.391 -0.645 1.00 0.00 C ATOM 385 CG LEU A 30 -8.532 11.605 0.641 1.00 0.00 C ATOM 386 CD1 LEU A 30 -9.674 10.608 0.514 1.00 0.00 C ATOM 387 CD2 LEU A 30 -7.243 10.992 1.199 1.00 0.00 C ATOM 0 H LEU A 30 -7.913 12.794 -3.413 1.00 0.00 H new ATOM 0 HA LEU A 30 -6.568 11.244 -1.302 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -7.739 13.306 -0.384 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -9.232 12.689 -1.064 1.00 0.00 H new ATOM 0 HG LEU A 30 -8.878 12.323 1.384 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -9.807 10.084 1.461 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -10.593 11.137 0.260 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -9.442 9.887 -0.270 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -7.468 10.441 2.112 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -6.814 10.313 0.462 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -6.529 11.785 1.420 1.00 0.00 H new ATOM 399 N ALA A 31 -8.065 9.336 -1.922 1.00 0.00 N ATOM 400 CA ALA A 31 -8.892 8.173 -2.148 1.00 0.00 C ATOM 401 C ALA A 31 -8.879 7.336 -0.880 1.00 0.00 C ATOM 402 O ALA A 31 -8.133 7.616 0.059 1.00 0.00 O ATOM 403 CB ALA A 31 -8.359 7.375 -3.342 1.00 0.00 C ATOM 0 H ALA A 31 -7.228 9.119 -1.382 1.00 0.00 H new ATOM 0 HA ALA A 31 -9.915 8.467 -2.381 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -8.988 6.500 -3.505 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -8.371 8.002 -4.233 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -7.337 7.054 -3.138 1.00 0.00 H new ATOM 409 N GLU A 32 -9.693 6.299 -0.861 1.00 0.00 N ATOM 410 CA GLU A 32 -9.807 5.321 0.179 1.00 0.00 C ATOM 411 C GLU A 32 -9.780 3.951 -0.437 1.00 0.00 C ATOM 412 O GLU A 32 -10.231 3.780 -1.563 1.00 0.00 O ATOM 413 CB GLU A 32 -11.142 5.563 0.861 1.00 0.00 C ATOM 414 CG GLU A 32 -10.934 5.615 2.350 1.00 0.00 C ATOM 415 CD GLU A 32 -11.188 4.308 3.076 1.00 0.00 C ATOM 416 OE1 GLU A 32 -12.372 3.940 3.282 1.00 0.00 O ATOM 417 OE2 GLU A 32 -10.199 3.749 3.568 1.00 0.00 O ATOM 0 H GLU A 32 -10.334 6.113 -1.632 1.00 0.00 H new ATOM 0 HA GLU A 32 -8.990 5.394 0.897 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -11.579 6.498 0.510 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -11.843 4.768 0.607 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -9.910 5.931 2.548 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -11.590 6.379 2.767 1.00 0.00 H new ATOM 424 N VAL A 33 -9.297 2.975 0.310 1.00 0.00 N ATOM 425 CA VAL A 33 -9.084 1.627 -0.174 1.00 0.00 C ATOM 426 C VAL A 33 -9.804 0.706 0.798 1.00 0.00 C ATOM 427 O VAL A 33 -9.724 0.875 2.011 1.00 0.00 O ATOM 428 CB VAL A 33 -7.581 1.324 -0.287 1.00 0.00 C ATOM 429 CG1 VAL A 33 -7.433 -0.046 -0.940 1.00 0.00 C ATOM 430 CG2 VAL A 33 -6.823 2.345 -1.148 1.00 0.00 C ATOM 0 H VAL A 33 -9.038 3.101 1.288 1.00 0.00 H new ATOM 0 HA VAL A 33 -9.482 1.484 -1.178 1.00 0.00 H new ATOM 0 HB VAL A 33 -7.157 1.364 0.716 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -6.375 -0.291 -1.035 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -7.926 -0.798 -0.324 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -7.892 -0.029 -1.929 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -5.768 2.075 -1.188 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -7.235 2.348 -2.157 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -6.927 3.338 -0.711 1.00 0.00 H new ATOM 440 N HIS A 34 -10.536 -0.255 0.252 1.00 0.00 N ATOM 441 CA HIS A 34 -11.424 -1.160 0.954 1.00 0.00 C ATOM 442 C HIS A 34 -10.887 -2.571 0.690 1.00 0.00 C ATOM 443 O HIS A 34 -10.631 -2.898 -0.469 1.00 0.00 O ATOM 444 CB HIS A 34 -12.859 -0.997 0.404 1.00 0.00 C ATOM 445 CG HIS A 34 -13.404 0.410 0.181 1.00 0.00 C ATOM 446 ND1 HIS A 34 -14.513 0.685 -0.592 1.00 0.00 N ATOM 447 CD2 HIS A 34 -12.977 1.609 0.709 1.00 0.00 C ATOM 448 CE1 HIS A 34 -14.742 2.006 -0.553 1.00 0.00 C ATOM 449 NE2 HIS A 34 -13.839 2.610 0.235 1.00 0.00 N ATOM 0 H HIS A 34 -10.522 -0.431 -0.753 1.00 0.00 H new ATOM 0 HA HIS A 34 -11.461 -0.958 2.025 1.00 0.00 H new ATOM 0 HB2 HIS A 34 -12.910 -1.526 -0.548 1.00 0.00 H new ATOM 0 HB3 HIS A 34 -13.535 -1.508 1.089 1.00 0.00 H new ATOM 0 HD2 HIS A 34 -12.133 1.752 1.367 1.00 0.00 H new ATOM 0 HE1 HIS A 34 -15.538 2.511 -1.080 1.00 0.00 H new ATOM 0 HE2 HIS A 34 -13.789 3.606 0.449 1.00 0.00 H new ATOM 457 N TRP A 35 -10.678 -3.393 1.721 1.00 0.00 N ATOM 458 CA TRP A 35 -10.250 -4.787 1.597 1.00 0.00 C ATOM 459 C TRP A 35 -10.936 -5.651 2.664 1.00 0.00 C ATOM 460 O TRP A 35 -11.726 -5.140 3.462 1.00 0.00 O ATOM 461 CB TRP A 35 -8.721 -4.861 1.693 1.00 0.00 C ATOM 462 CG TRP A 35 -8.132 -4.457 3.008 1.00 0.00 C ATOM 463 CD1 TRP A 35 -8.016 -5.241 4.106 1.00 0.00 C ATOM 464 CD2 TRP A 35 -7.610 -3.153 3.392 1.00 0.00 C ATOM 465 NE1 TRP A 35 -7.472 -4.508 5.140 1.00 0.00 N ATOM 466 CE2 TRP A 35 -7.199 -3.217 4.753 1.00 0.00 C ATOM 467 CE3 TRP A 35 -7.466 -1.915 2.734 1.00 0.00 C ATOM 468 CZ2 TRP A 35 -6.678 -2.109 5.428 1.00 0.00 C ATOM 469 CZ3 TRP A 35 -6.931 -0.797 3.398 1.00 0.00 C ATOM 470 CH2 TRP A 35 -6.536 -0.893 4.743 1.00 0.00 C ATOM 0 H TRP A 35 -10.805 -3.099 2.690 1.00 0.00 H new ATOM 0 HA TRP A 35 -10.547 -5.181 0.625 1.00 0.00 H new ATOM 0 HB2 TRP A 35 -8.411 -5.883 1.476 1.00 0.00 H new ATOM 0 HB3 TRP A 35 -8.296 -4.227 0.915 1.00 0.00 H new ATOM 0 HD1 TRP A 35 -8.305 -6.280 4.163 1.00 0.00 H new ATOM 0 HE1 TRP A 35 -7.295 -4.877 6.074 1.00 0.00 H new ATOM 0 HE3 TRP A 35 -7.772 -1.824 1.702 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 -6.388 -2.188 6.465 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 -6.823 0.140 2.872 1.00 0.00 H new ATOM 0 HH2 TRP A 35 -6.124 -0.032 5.249 1.00 0.00 H new ATOM 481 N ASP A 36 -10.650 -6.953 2.694 1.00 0.00 N ATOM 482 CA ASP A 36 -11.337 -7.922 3.555 1.00 0.00 C ATOM 483 C ASP A 36 -10.433 -8.401 4.709 1.00 0.00 C ATOM 484 O ASP A 36 -9.210 -8.481 4.544 1.00 0.00 O ATOM 485 CB ASP A 36 -11.899 -9.062 2.688 1.00 0.00 C ATOM 486 CG ASP A 36 -11.432 -10.457 3.089 1.00 0.00 C ATOM 487 OD1 ASP A 36 -12.042 -11.047 3.995 1.00 0.00 O ATOM 488 OD2 ASP A 36 -10.559 -11.006 2.378 1.00 0.00 O ATOM 0 H ASP A 36 -9.924 -7.372 2.113 1.00 0.00 H new ATOM 0 HA ASP A 36 -12.182 -7.442 4.048 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -12.988 -9.031 2.733 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -11.617 -8.884 1.650 1.00 0.00 H new ATOM 493 N PRO A 37 -10.993 -8.655 5.905 1.00 0.00 N ATOM 494 CA PRO A 37 -10.238 -9.106 7.063 1.00 0.00 C ATOM 495 C PRO A 37 -9.966 -10.603 6.994 1.00 0.00 C ATOM 496 O PRO A 37 -10.797 -11.422 7.403 1.00 0.00 O ATOM 497 CB PRO A 37 -11.083 -8.753 8.274 1.00 0.00 C ATOM 498 CG PRO A 37 -12.520 -8.790 7.737 1.00 0.00 C ATOM 499 CD PRO A 37 -12.386 -8.429 6.262 1.00 0.00 C ATOM 0 HA PRO A 37 -9.260 -8.626 7.111 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -10.940 -9.468 9.084 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -10.828 -7.769 8.668 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -12.966 -9.776 7.865 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -13.159 -8.080 8.263 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -13.047 -9.043 5.651 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -12.667 -7.390 6.090 1.00 0.00 H new ATOM 507 N VAL A 38 -8.781 -10.943 6.505 1.00 0.00 N ATOM 508 CA VAL A 38 -8.385 -12.328 6.294 1.00 0.00 C ATOM 509 C VAL A 38 -8.311 -13.094 7.633 1.00 0.00 C ATOM 510 O VAL A 38 -8.178 -12.480 8.703 1.00 0.00 O ATOM 511 CB VAL A 38 -7.093 -12.368 5.456 1.00 0.00 C ATOM 512 CG1 VAL A 38 -7.298 -11.693 4.102 1.00 0.00 C ATOM 513 CG2 VAL A 38 -5.899 -11.714 6.140 1.00 0.00 C ATOM 0 H VAL A 38 -8.066 -10.264 6.243 1.00 0.00 H new ATOM 0 HA VAL A 38 -9.143 -12.858 5.717 1.00 0.00 H new ATOM 0 HB VAL A 38 -6.870 -13.427 5.331 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -6.371 -11.735 3.530 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -8.086 -12.209 3.554 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -7.584 -10.652 4.254 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -5.026 -11.781 5.490 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -6.123 -10.666 6.340 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -5.692 -12.227 7.079 1.00 0.00 H new ATOM 523 N PRO A 39 -8.427 -14.432 7.604 1.00 0.00 N ATOM 524 CA PRO A 39 -8.574 -15.248 8.801 1.00 0.00 C ATOM 525 C PRO A 39 -7.216 -15.394 9.484 1.00 0.00 C ATOM 526 O PRO A 39 -6.190 -15.496 8.803 1.00 0.00 O ATOM 527 CB PRO A 39 -9.113 -16.589 8.294 1.00 0.00 C ATOM 528 CG PRO A 39 -8.613 -16.689 6.855 1.00 0.00 C ATOM 529 CD PRO A 39 -8.455 -15.249 6.402 1.00 0.00 C ATOM 0 HA PRO A 39 -9.245 -14.816 9.543 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -8.746 -17.418 8.899 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -10.202 -16.620 8.338 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -7.667 -17.227 6.801 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -9.322 -17.227 6.226 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -7.537 -15.123 5.827 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -9.280 -14.955 5.754 1.00 0.00 H new ATOM 537 N LEU A 40 -7.184 -15.460 10.819 1.00 0.00 N ATOM 538 CA LEU A 40 -5.914 -15.480 11.550 1.00 0.00 C ATOM 539 C LEU A 40 -5.088 -16.715 11.215 1.00 0.00 C ATOM 540 O LEU A 40 -3.860 -16.637 11.190 1.00 0.00 O ATOM 541 CB LEU A 40 -6.110 -15.385 13.065 1.00 0.00 C ATOM 542 CG LEU A 40 -6.512 -13.964 13.500 1.00 0.00 C ATOM 543 CD1 LEU A 40 -8.033 -13.825 13.608 1.00 0.00 C ATOM 544 CD2 LEU A 40 -5.846 -13.624 14.832 1.00 0.00 C ATOM 0 H LEU A 40 -8.014 -15.500 11.410 1.00 0.00 H new ATOM 0 HA LEU A 40 -5.369 -14.594 11.223 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -6.878 -16.092 13.377 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -5.188 -15.673 13.570 1.00 0.00 H new ATOM 0 HG LEU A 40 -6.171 -13.262 12.740 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -8.285 -12.810 13.917 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -8.487 -14.032 12.639 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -8.412 -14.533 14.345 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -6.133 -12.617 15.136 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -6.166 -14.338 15.591 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -4.763 -13.674 14.720 1.00 0.00 H new ATOM 556 N LYS A 41 -5.737 -17.837 10.895 1.00 0.00 N ATOM 557 CA LYS A 41 -5.053 -19.031 10.443 1.00 0.00 C ATOM 558 C LYS A 41 -4.245 -18.770 9.175 1.00 0.00 C ATOM 559 O LYS A 41 -3.170 -19.338 9.043 1.00 0.00 O ATOM 560 CB LYS A 41 -6.075 -20.160 10.242 1.00 0.00 C ATOM 561 CG LYS A 41 -5.483 -21.564 10.425 1.00 0.00 C ATOM 562 CD LYS A 41 -5.010 -21.872 11.852 1.00 0.00 C ATOM 563 CE LYS A 41 -6.142 -21.838 12.884 1.00 0.00 C ATOM 564 NZ LYS A 41 -5.645 -22.183 14.229 1.00 0.00 N ATOM 0 H LYS A 41 -6.751 -17.934 10.945 1.00 0.00 H new ATOM 0 HA LYS A 41 -4.338 -19.337 11.207 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -6.895 -20.026 10.947 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -6.499 -20.081 9.241 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -6.232 -22.301 10.137 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -4.641 -21.682 9.743 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -4.542 -22.856 11.868 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -4.245 -21.150 12.138 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -6.592 -20.845 12.903 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -6.926 -22.537 12.592 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -6.432 -22.152 14.908 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -5.238 -23.140 14.214 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -4.914 -21.500 14.515 1.00 0.00 H new ATOM 578 N SER A 42 -4.708 -17.901 8.264 1.00 0.00 N ATOM 579 CA SER A 42 -3.888 -17.514 7.119 1.00 0.00 C ATOM 580 C SER A 42 -2.643 -16.763 7.595 1.00 0.00 C ATOM 581 O SER A 42 -1.549 -17.020 7.105 1.00 0.00 O ATOM 582 CB SER A 42 -4.690 -16.720 6.079 1.00 0.00 C ATOM 583 OG SER A 42 -5.009 -15.396 6.482 1.00 0.00 O ATOM 0 H SER A 42 -5.629 -17.463 8.300 1.00 0.00 H new ATOM 0 HA SER A 42 -3.559 -18.420 6.610 1.00 0.00 H new ATOM 0 HB2 SER A 42 -4.120 -16.679 5.151 1.00 0.00 H new ATOM 0 HB3 SER A 42 -5.614 -17.255 5.862 1.00 0.00 H new ATOM 0 HG SER A 42 -5.455 -15.418 7.354 1.00 0.00 H new ATOM 589 N ILE A 43 -2.805 -15.849 8.559 1.00 0.00 N ATOM 590 CA ILE A 43 -1.729 -14.996 9.052 1.00 0.00 C ATOM 591 C ILE A 43 -0.648 -15.848 9.723 1.00 0.00 C ATOM 592 O ILE A 43 0.513 -15.447 9.698 1.00 0.00 O ATOM 593 CB ILE A 43 -2.264 -13.906 10.019 1.00 0.00 C ATOM 594 CG1 ILE A 43 -3.467 -13.144 9.414 1.00 0.00 C ATOM 595 CG2 ILE A 43 -1.141 -12.915 10.391 1.00 0.00 C ATOM 596 CD1 ILE A 43 -4.105 -12.150 10.388 1.00 0.00 C ATOM 0 H ILE A 43 -3.699 -15.683 9.021 1.00 0.00 H new ATOM 0 HA ILE A 43 -1.286 -14.479 8.201 1.00 0.00 H new ATOM 0 HB ILE A 43 -2.608 -14.411 10.922 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -3.139 -12.609 8.523 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -4.221 -13.864 9.094 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -1.534 -12.158 11.069 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -0.328 -13.453 10.879 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -0.767 -12.434 9.488 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -4.942 -11.650 9.901 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -4.463 -12.683 11.269 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -3.364 -11.409 10.689 1.00 0.00 H new ATOM 608 N ARG A 44 -1.019 -16.979 10.343 1.00 0.00 N ATOM 609 CA ARG A 44 -0.174 -17.891 11.131 1.00 0.00 C ATOM 610 C ARG A 44 0.599 -17.236 12.280 1.00 0.00 C ATOM 611 O ARG A 44 1.228 -17.956 13.047 1.00 0.00 O ATOM 612 CB ARG A 44 0.764 -18.694 10.225 1.00 0.00 C ATOM 613 CG ARG A 44 -0.055 -19.584 9.286 1.00 0.00 C ATOM 614 CD ARG A 44 0.802 -20.594 8.542 1.00 0.00 C ATOM 615 NE ARG A 44 1.565 -19.982 7.448 1.00 0.00 N ATOM 616 CZ ARG A 44 2.202 -20.648 6.484 1.00 0.00 C ATOM 617 NH1 ARG A 44 2.335 -21.967 6.558 1.00 0.00 N ATOM 618 NH2 ARG A 44 2.694 -19.999 5.433 1.00 0.00 N ATOM 0 H ARG A 44 -1.985 -17.303 10.304 1.00 0.00 H new ATOM 0 HA ARG A 44 -0.876 -18.567 11.618 1.00 0.00 H new ATOM 0 HB2 ARG A 44 1.391 -18.017 9.644 1.00 0.00 H new ATOM 0 HB3 ARG A 44 1.432 -19.307 10.830 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -0.814 -20.112 9.863 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -0.581 -18.958 8.565 1.00 0.00 H new ATOM 0 HD2 ARG A 44 1.491 -21.067 9.242 1.00 0.00 H new ATOM 0 HD3 ARG A 44 0.164 -21.382 8.141 1.00 0.00 H new ATOM 0 HE ARG A 44 1.612 -18.963 7.423 1.00 0.00 H new ATOM 0 HH11 ARG A 44 1.949 -22.475 7.354 1.00 0.00 H new ATOM 0 HH12 ARG A 44 2.823 -22.473 5.819 1.00 0.00 H new ATOM 0 HH21 ARG A 44 2.585 -18.987 5.361 1.00 0.00 H new ATOM 0 HH22 ARG A 44 3.180 -20.513 4.698 1.00 0.00 H new ATOM 632 N GLY A 45 0.493 -15.922 12.457 1.00 0.00 N ATOM 633 CA GLY A 45 1.231 -15.124 13.411 1.00 0.00 C ATOM 634 C GLY A 45 0.442 -13.865 13.742 1.00 0.00 C ATOM 635 O GLY A 45 -0.793 -13.848 13.635 1.00 0.00 O ATOM 0 H GLY A 45 -0.151 -15.359 11.901 1.00 0.00 H new ATOM 0 HA2 GLY A 45 1.414 -15.700 14.318 1.00 0.00 H new ATOM 0 HA3 GLY A 45 2.205 -14.858 13.001 1.00 0.00 H new ATOM 639 N HIS A 46 1.138 -12.817 14.177 1.00 0.00 N ATOM 640 CA HIS A 46 0.553 -11.575 14.669 1.00 0.00 C ATOM 641 C HIS A 46 0.671 -10.467 13.625 1.00 0.00 C ATOM 642 O HIS A 46 1.774 -9.980 13.365 1.00 0.00 O ATOM 643 CB HIS A 46 1.229 -11.183 15.987 1.00 0.00 C ATOM 644 CG HIS A 46 1.045 -12.224 17.063 1.00 0.00 C ATOM 645 ND1 HIS A 46 2.030 -13.015 17.612 1.00 0.00 N ATOM 646 CD2 HIS A 46 -0.138 -12.551 17.669 1.00 0.00 C ATOM 647 CE1 HIS A 46 1.455 -13.791 18.543 1.00 0.00 C ATOM 648 NE2 HIS A 46 0.129 -13.562 18.596 1.00 0.00 N ATOM 0 H HIS A 46 2.158 -12.810 14.197 1.00 0.00 H new ATOM 0 HA HIS A 46 -0.510 -11.725 14.855 1.00 0.00 H new ATOM 0 HB2 HIS A 46 2.294 -11.029 15.813 1.00 0.00 H new ATOM 0 HB3 HIS A 46 0.821 -10.233 16.332 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -1.102 -12.108 17.467 1.00 0.00 H new ATOM 0 HE1 HIS A 46 1.982 -14.501 19.164 1.00 0.00 H new ATOM 0 HE2 HIS A 46 -0.548 -14.034 19.195 1.00 0.00 H new ATOM 656 N LEU A 47 -0.466 -10.076 13.037 1.00 0.00 N ATOM 657 CA LEU A 47 -0.638 -8.967 12.100 1.00 0.00 C ATOM 658 C LEU A 47 0.081 -7.729 12.631 1.00 0.00 C ATOM 659 O LEU A 47 -0.374 -7.154 13.619 1.00 0.00 O ATOM 660 CB LEU A 47 -2.147 -8.681 11.936 1.00 0.00 C ATOM 661 CG LEU A 47 -2.482 -7.479 11.025 1.00 0.00 C ATOM 662 CD1 LEU A 47 -2.270 -7.814 9.547 1.00 0.00 C ATOM 663 CD2 LEU A 47 -3.925 -7.029 11.244 1.00 0.00 C ATOM 0 H LEU A 47 -1.346 -10.560 13.217 1.00 0.00 H new ATOM 0 HA LEU A 47 -0.212 -9.228 11.131 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -2.630 -9.571 11.532 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -2.578 -8.504 12.921 1.00 0.00 H new ATOM 0 HG LEU A 47 -1.803 -6.670 11.293 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -2.516 -6.944 8.938 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -1.228 -8.090 9.382 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -2.915 -8.647 9.267 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -4.144 -6.182 10.595 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -4.602 -7.851 11.010 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -4.060 -6.733 12.284 1.00 0.00 H new ATOM 675 N GLN A 48 1.172 -7.312 11.991 1.00 0.00 N ATOM 676 CA GLN A 48 1.825 -6.032 12.261 1.00 0.00 C ATOM 677 C GLN A 48 1.194 -4.898 11.452 1.00 0.00 C ATOM 678 O GLN A 48 1.418 -3.718 11.713 1.00 0.00 O ATOM 679 CB GLN A 48 3.320 -6.150 11.941 1.00 0.00 C ATOM 680 CG GLN A 48 4.092 -7.073 12.893 1.00 0.00 C ATOM 681 CD GLN A 48 3.690 -6.898 14.350 1.00 0.00 C ATOM 682 OE1 GLN A 48 3.954 -5.876 14.970 1.00 0.00 O ATOM 683 NE2 GLN A 48 2.940 -7.844 14.882 1.00 0.00 N ATOM 0 H GLN A 48 1.632 -7.859 11.263 1.00 0.00 H new ATOM 0 HA GLN A 48 1.693 -5.791 13.316 1.00 0.00 H new ATOM 0 HB2 GLN A 48 3.435 -6.519 10.922 1.00 0.00 H new ATOM 0 HB3 GLN A 48 3.767 -5.156 11.973 1.00 0.00 H new ATOM 0 HG2 GLN A 48 3.926 -8.109 12.599 1.00 0.00 H new ATOM 0 HG3 GLN A 48 5.160 -6.879 12.791 1.00 0.00 H new ATOM 0 HE21 GLN A 48 2.731 -8.689 14.350 1.00 0.00 H new ATOM 0 HE22 GLN A 48 2.569 -7.731 15.825 1.00 0.00 H new ATOM 692 N GLY A 49 0.377 -5.246 10.470 1.00 0.00 N ATOM 693 CA GLY A 49 -0.461 -4.329 9.743 1.00 0.00 C ATOM 694 C GLY A 49 -0.639 -4.829 8.331 1.00 0.00 C ATOM 695 O GLY A 49 -0.136 -5.889 7.945 1.00 0.00 O ATOM 0 H GLY A 49 0.282 -6.211 10.153 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -1.430 -4.237 10.233 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -0.012 -3.336 9.735 1.00 0.00 H new ATOM 699 N TYR A 50 -1.311 -4.003 7.553 1.00 0.00 N ATOM 700 CA TYR A 50 -1.325 -4.121 6.111 1.00 0.00 C ATOM 701 C TYR A 50 -0.353 -3.064 5.573 1.00 0.00 C ATOM 702 O TYR A 50 -0.037 -2.076 6.251 1.00 0.00 O ATOM 703 CB TYR A 50 -2.765 -3.942 5.619 1.00 0.00 C ATOM 704 CG TYR A 50 -3.753 -5.016 6.054 1.00 0.00 C ATOM 705 CD1 TYR A 50 -4.396 -4.928 7.305 1.00 0.00 C ATOM 706 CD2 TYR A 50 -4.076 -6.078 5.186 1.00 0.00 C ATOM 707 CE1 TYR A 50 -5.387 -5.854 7.668 1.00 0.00 C ATOM 708 CE2 TYR A 50 -5.071 -7.008 5.542 1.00 0.00 C ATOM 709 CZ TYR A 50 -5.752 -6.881 6.771 1.00 0.00 C ATOM 710 OH TYR A 50 -6.789 -7.718 7.064 1.00 0.00 O ATOM 0 H TYR A 50 -1.867 -3.225 7.909 1.00 0.00 H new ATOM 0 HA TYR A 50 -0.999 -5.098 5.754 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -3.131 -2.976 5.968 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -2.755 -3.904 4.530 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -4.124 -4.140 7.992 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -3.558 -6.179 4.244 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -5.869 -5.781 8.632 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -5.314 -7.820 4.873 1.00 0.00 H new ATOM 0 HH TYR A 50 -6.903 -8.365 6.337 1.00 0.00 H new ATOM 720 N ARG A 51 0.181 -3.278 4.375 1.00 0.00 N ATOM 721 CA ARG A 51 0.961 -2.288 3.638 1.00 0.00 C ATOM 722 C ARG A 51 0.235 -2.105 2.315 1.00 0.00 C ATOM 723 O ARG A 51 -0.297 -3.082 1.782 1.00 0.00 O ATOM 724 CB ARG A 51 2.421 -2.769 3.475 1.00 0.00 C ATOM 725 CG ARG A 51 3.344 -1.712 2.832 1.00 0.00 C ATOM 726 CD ARG A 51 4.796 -2.190 2.670 1.00 0.00 C ATOM 727 NE ARG A 51 5.511 -2.269 3.952 1.00 0.00 N ATOM 728 CZ ARG A 51 6.525 -3.087 4.264 1.00 0.00 C ATOM 729 NH1 ARG A 51 6.998 -3.970 3.395 1.00 0.00 N ATOM 730 NH2 ARG A 51 7.050 -3.018 5.481 1.00 0.00 N ATOM 0 H ARG A 51 0.082 -4.163 3.878 1.00 0.00 H new ATOM 0 HA ARG A 51 1.035 -1.332 4.156 1.00 0.00 H new ATOM 0 HB2 ARG A 51 2.818 -3.041 4.453 1.00 0.00 H new ATOM 0 HB3 ARG A 51 2.433 -3.672 2.864 1.00 0.00 H new ATOM 0 HG2 ARG A 51 2.947 -1.440 1.854 1.00 0.00 H new ATOM 0 HG3 ARG A 51 3.332 -0.809 3.443 1.00 0.00 H new ATOM 0 HD2 ARG A 51 4.801 -3.171 2.194 1.00 0.00 H new ATOM 0 HD3 ARG A 51 5.326 -1.510 2.004 1.00 0.00 H new ATOM 0 HE ARG A 51 5.201 -1.631 4.685 1.00 0.00 H new ATOM 0 HH11 ARG A 51 6.589 -4.038 2.463 1.00 0.00 H new ATOM 0 HH12 ARG A 51 7.771 -4.581 3.658 1.00 0.00 H new ATOM 0 HH21 ARG A 51 6.681 -2.351 6.159 1.00 0.00 H new ATOM 0 HH22 ARG A 51 7.823 -3.632 5.739 1.00 0.00 H new ATOM 744 N ILE A 52 0.227 -0.887 1.785 1.00 0.00 N ATOM 745 CA ILE A 52 -0.267 -0.603 0.449 1.00 0.00 C ATOM 746 C ILE A 52 0.940 -0.095 -0.327 1.00 0.00 C ATOM 747 O ILE A 52 1.529 0.917 0.056 1.00 0.00 O ATOM 748 CB ILE A 52 -1.475 0.370 0.464 1.00 0.00 C ATOM 749 CG1 ILE A 52 -2.689 -0.311 1.135 1.00 0.00 C ATOM 750 CG2 ILE A 52 -1.817 0.788 -0.975 1.00 0.00 C ATOM 751 CD1 ILE A 52 -4.027 0.458 1.114 1.00 0.00 C ATOM 0 H ILE A 52 0.568 -0.062 2.279 1.00 0.00 H new ATOM 0 HA ILE A 52 -0.677 -1.489 -0.037 1.00 0.00 H new ATOM 0 HB ILE A 52 -1.218 1.261 1.037 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -2.846 -1.275 0.652 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -2.431 -0.513 2.175 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -2.666 1.472 -0.963 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -0.957 1.285 -1.424 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -2.071 -0.096 -1.560 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -4.793 -0.131 1.617 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -3.907 1.412 1.628 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -4.327 0.638 0.082 1.00 0.00 H new ATOM 763 N TYR A 53 1.314 -0.775 -1.409 1.00 0.00 N ATOM 764 CA TYR A 53 2.202 -0.185 -2.403 1.00 0.00 C ATOM 765 C TYR A 53 1.318 0.469 -3.450 1.00 0.00 C ATOM 766 O TYR A 53 0.199 0.013 -3.656 1.00 0.00 O ATOM 767 CB TYR A 53 3.100 -1.235 -3.065 1.00 0.00 C ATOM 768 CG TYR A 53 4.096 -1.897 -2.136 1.00 0.00 C ATOM 769 CD1 TYR A 53 3.670 -2.906 -1.252 1.00 0.00 C ATOM 770 CD2 TYR A 53 5.453 -1.518 -2.165 1.00 0.00 C ATOM 771 CE1 TYR A 53 4.585 -3.520 -0.383 1.00 0.00 C ATOM 772 CE2 TYR A 53 6.369 -2.112 -1.281 1.00 0.00 C ATOM 773 CZ TYR A 53 5.936 -3.109 -0.379 1.00 0.00 C ATOM 774 OH TYR A 53 6.806 -3.656 0.512 1.00 0.00 O ATOM 0 H TYR A 53 1.017 -1.728 -1.617 1.00 0.00 H new ATOM 0 HA TYR A 53 2.864 0.536 -1.922 1.00 0.00 H new ATOM 0 HB2 TYR A 53 2.469 -2.006 -3.507 1.00 0.00 H new ATOM 0 HB3 TYR A 53 3.645 -0.763 -3.882 1.00 0.00 H new ATOM 0 HD1 TYR A 53 2.634 -3.209 -1.242 1.00 0.00 H new ATOM 0 HD2 TYR A 53 5.789 -0.770 -2.868 1.00 0.00 H new ATOM 0 HE1 TYR A 53 4.257 -4.305 0.282 1.00 0.00 H new ATOM 0 HE2 TYR A 53 7.405 -1.806 -1.291 1.00 0.00 H new ATOM 0 HH TYR A 53 7.696 -3.266 0.382 1.00 0.00 H new ATOM 784 N TYR A 54 1.784 1.528 -4.108 1.00 0.00 N ATOM 785 CA TYR A 54 1.092 2.238 -5.171 1.00 0.00 C ATOM 786 C TYR A 54 2.098 3.013 -6.011 1.00 0.00 C ATOM 787 O TYR A 54 3.235 3.212 -5.585 1.00 0.00 O ATOM 788 CB TYR A 54 0.009 3.156 -4.570 1.00 0.00 C ATOM 789 CG TYR A 54 0.534 4.305 -3.743 1.00 0.00 C ATOM 790 CD1 TYR A 54 1.035 4.022 -2.464 1.00 0.00 C ATOM 791 CD2 TYR A 54 0.463 5.632 -4.202 1.00 0.00 C ATOM 792 CE1 TYR A 54 1.502 5.063 -1.643 1.00 0.00 C ATOM 793 CE2 TYR A 54 0.911 6.683 -3.379 1.00 0.00 C ATOM 794 CZ TYR A 54 1.422 6.402 -2.089 1.00 0.00 C ATOM 795 OH TYR A 54 1.801 7.414 -1.258 1.00 0.00 O ATOM 0 H TYR A 54 2.698 1.930 -3.902 1.00 0.00 H new ATOM 0 HA TYR A 54 0.591 1.527 -5.828 1.00 0.00 H new ATOM 0 HB2 TYR A 54 -0.596 3.559 -5.382 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -0.653 2.553 -3.948 1.00 0.00 H new ATOM 0 HD1 TYR A 54 1.062 3.002 -2.109 1.00 0.00 H new ATOM 0 HD2 TYR A 54 0.066 5.845 -5.184 1.00 0.00 H new ATOM 0 HE1 TYR A 54 1.921 4.840 -0.673 1.00 0.00 H new ATOM 0 HE2 TYR A 54 0.865 7.703 -3.732 1.00 0.00 H new ATOM 0 HH TYR A 54 1.686 8.273 -1.715 1.00 0.00 H new ATOM 805 N TRP A 55 1.727 3.385 -7.233 1.00 0.00 N ATOM 806 CA TRP A 55 2.504 4.282 -8.074 1.00 0.00 C ATOM 807 C TRP A 55 1.569 5.082 -8.979 1.00 0.00 C ATOM 808 O TRP A 55 0.470 4.623 -9.317 1.00 0.00 O ATOM 809 CB TRP A 55 3.561 3.492 -8.868 1.00 0.00 C ATOM 810 CG TRP A 55 3.094 2.330 -9.701 1.00 0.00 C ATOM 811 CD1 TRP A 55 2.900 2.360 -11.039 1.00 0.00 C ATOM 812 CD2 TRP A 55 2.783 0.958 -9.288 1.00 0.00 C ATOM 813 NE1 TRP A 55 2.528 1.108 -11.486 1.00 0.00 N ATOM 814 CE2 TRP A 55 2.427 0.206 -10.447 1.00 0.00 C ATOM 815 CE3 TRP A 55 2.753 0.270 -8.052 1.00 0.00 C ATOM 816 CZ2 TRP A 55 2.056 -1.147 -10.379 1.00 0.00 C ATOM 817 CZ3 TRP A 55 2.334 -1.072 -7.963 1.00 0.00 C ATOM 818 CH2 TRP A 55 1.990 -1.784 -9.127 1.00 0.00 C ATOM 0 H TRP A 55 0.863 3.065 -7.671 1.00 0.00 H new ATOM 0 HA TRP A 55 3.045 4.994 -7.451 1.00 0.00 H new ATOM 0 HB2 TRP A 55 4.075 4.191 -9.528 1.00 0.00 H new ATOM 0 HB3 TRP A 55 4.301 3.119 -8.160 1.00 0.00 H new ATOM 0 HD1 TRP A 55 3.018 3.233 -11.664 1.00 0.00 H new ATOM 0 HE1 TRP A 55 2.350 0.878 -12.464 1.00 0.00 H new ATOM 0 HE3 TRP A 55 3.059 0.787 -7.154 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 1.823 -1.694 -11.281 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 2.277 -1.556 -6.999 1.00 0.00 H new ATOM 0 HH2 TRP A 55 1.677 -2.815 -9.059 1.00 0.00 H new ATOM 829 N LYS A 56 2.048 6.237 -9.453 1.00 0.00 N ATOM 830 CA LYS A 56 1.374 7.029 -10.471 1.00 0.00 C ATOM 831 C LYS A 56 1.456 6.202 -11.746 1.00 0.00 C ATOM 832 O LYS A 56 2.548 5.768 -12.123 1.00 0.00 O ATOM 833 CB LYS A 56 2.124 8.369 -10.632 1.00 0.00 C ATOM 834 CG LYS A 56 1.504 9.347 -11.646 1.00 0.00 C ATOM 835 CD LYS A 56 0.348 10.143 -11.034 1.00 0.00 C ATOM 836 CE LYS A 56 -0.231 11.248 -11.931 1.00 0.00 C ATOM 837 NZ LYS A 56 0.655 12.406 -12.194 1.00 0.00 N ATOM 0 H LYS A 56 2.925 6.647 -9.133 1.00 0.00 H new ATOM 0 HA LYS A 56 0.338 7.256 -10.220 1.00 0.00 H new ATOM 0 HB2 LYS A 56 2.172 8.860 -9.660 1.00 0.00 H new ATOM 0 HB3 LYS A 56 3.150 8.159 -10.934 1.00 0.00 H new ATOM 0 HG2 LYS A 56 2.270 10.035 -12.003 1.00 0.00 H new ATOM 0 HG3 LYS A 56 1.145 8.793 -12.513 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -0.453 9.450 -10.775 1.00 0.00 H new ATOM 0 HD3 LYS A 56 0.691 10.595 -10.103 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -0.508 10.804 -12.887 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -1.149 11.616 -11.473 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 0.120 13.146 -12.692 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 1.010 12.783 -11.292 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 1.457 12.103 -12.782 1.00 0.00 H new ATOM 851 N THR A 57 0.312 5.938 -12.370 1.00 0.00 N ATOM 852 CA THR A 57 0.246 5.232 -13.638 1.00 0.00 C ATOM 853 C THR A 57 -0.015 6.305 -14.690 1.00 0.00 C ATOM 854 O THR A 57 -0.892 7.151 -14.519 1.00 0.00 O ATOM 855 CB THR A 57 -0.816 4.127 -13.570 1.00 0.00 C ATOM 856 OG1 THR A 57 -0.508 3.263 -12.481 1.00 0.00 O ATOM 857 CG2 THR A 57 -0.831 3.306 -14.862 1.00 0.00 C ATOM 0 H THR A 57 -0.600 6.211 -12.004 1.00 0.00 H new ATOM 0 HA THR A 57 1.165 4.705 -13.893 1.00 0.00 H new ATOM 0 HB THR A 57 -1.795 4.587 -13.436 1.00 0.00 H new ATOM 0 HG1 THR A 57 -1.087 2.473 -12.516 1.00 0.00 H new ATOM 0 HG21 THR A 57 -1.592 2.529 -14.790 1.00 0.00 H new ATOM 0 HG22 THR A 57 -1.057 3.959 -15.705 1.00 0.00 H new ATOM 0 HG23 THR A 57 0.145 2.845 -15.012 1.00 0.00 H new ATOM 1096 N LYS A 71 5.775 3.615 -4.492 1.00 0.00 N ATOM 1097 CA LYS A 71 5.442 4.320 -3.280 1.00 0.00 C ATOM 1098 C LYS A 71 4.758 3.374 -2.312 1.00 0.00 C ATOM 1099 O LYS A 71 4.232 2.337 -2.724 1.00 0.00 O ATOM 1100 CB LYS A 71 4.565 5.516 -3.668 1.00 0.00 C ATOM 1101 CG LYS A 71 4.943 6.650 -2.733 1.00 0.00 C ATOM 1102 CD LYS A 71 4.494 8.004 -3.230 1.00 0.00 C ATOM 1103 CE LYS A 71 4.841 9.033 -2.153 1.00 0.00 C ATOM 1104 NZ LYS A 71 6.300 9.163 -1.947 1.00 0.00 N ATOM 0 HA LYS A 71 6.330 4.693 -2.769 1.00 0.00 H new ATOM 0 HB2 LYS A 71 4.732 5.798 -4.707 1.00 0.00 H new ATOM 0 HB3 LYS A 71 3.508 5.269 -3.571 1.00 0.00 H new ATOM 0 HG2 LYS A 71 4.504 6.466 -1.752 1.00 0.00 H new ATOM 0 HG3 LYS A 71 6.025 6.659 -2.601 1.00 0.00 H new ATOM 0 HD2 LYS A 71 4.990 8.251 -4.169 1.00 0.00 H new ATOM 0 HD3 LYS A 71 3.422 8.003 -3.427 1.00 0.00 H new ATOM 0 HE2 LYS A 71 4.429 10.002 -2.434 1.00 0.00 H new ATOM 0 HE3 LYS A 71 4.368 8.746 -1.214 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 6.500 10.039 -1.423 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 6.648 8.347 -1.404 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 6.779 9.194 -2.869 1.00 0.00 H new ATOM 1118 N ILE A 72 4.792 3.712 -1.024 1.00 0.00 N ATOM 1119 CA ILE A 72 4.372 2.838 0.062 1.00 0.00 C ATOM 1120 C ILE A 72 3.529 3.661 1.031 1.00 0.00 C ATOM 1121 O ILE A 72 3.815 4.838 1.269 1.00 0.00 O ATOM 1122 CB ILE A 72 5.619 2.208 0.736 1.00 0.00 C ATOM 1123 CG1 ILE A 72 6.402 1.307 -0.251 1.00 0.00 C ATOM 1124 CG2 ILE A 72 5.233 1.371 1.965 1.00 0.00 C ATOM 1125 CD1 ILE A 72 7.665 1.965 -0.805 1.00 0.00 C ATOM 0 H ILE A 72 5.120 4.623 -0.703 1.00 0.00 H new ATOM 0 HA ILE A 72 3.763 2.011 -0.303 1.00 0.00 H new ATOM 0 HB ILE A 72 6.252 3.038 1.049 1.00 0.00 H new ATOM 0 HG12 ILE A 72 6.676 0.381 0.254 1.00 0.00 H new ATOM 0 HG13 ILE A 72 5.749 1.037 -1.081 1.00 0.00 H new ATOM 0 HG21 ILE A 72 6.131 0.945 2.412 1.00 0.00 H new ATOM 0 HG22 ILE A 72 4.731 2.006 2.695 1.00 0.00 H new ATOM 0 HG23 ILE A 72 4.562 0.567 1.662 1.00 0.00 H new ATOM 0 HD11 ILE A 72 8.163 1.278 -1.489 1.00 0.00 H new ATOM 0 HD12 ILE A 72 7.396 2.877 -1.338 1.00 0.00 H new ATOM 0 HD13 ILE A 72 8.338 2.210 0.017 1.00 0.00 H new ATOM 1137 N LEU A 73 2.497 3.039 1.590 1.00 0.00 N ATOM 1138 CA LEU A 73 1.700 3.489 2.719 1.00 0.00 C ATOM 1139 C LEU A 73 1.626 2.332 3.707 1.00 0.00 C ATOM 1140 O LEU A 73 1.693 1.161 3.315 1.00 0.00 O ATOM 1141 CB LEU A 73 0.289 3.880 2.269 1.00 0.00 C ATOM 1142 CG LEU A 73 0.206 5.350 1.848 1.00 0.00 C ATOM 1143 CD1 LEU A 73 -0.701 5.511 0.646 1.00 0.00 C ATOM 1144 CD2 LEU A 73 -0.376 6.262 2.926 1.00 0.00 C ATOM 0 H LEU A 73 2.173 2.139 1.237 1.00 0.00 H new ATOM 0 HA LEU A 73 2.155 4.368 3.175 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -0.014 3.247 1.435 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -0.414 3.696 3.081 1.00 0.00 H new ATOM 0 HG LEU A 73 1.237 5.636 1.640 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -0.746 6.563 0.363 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -0.308 4.928 -0.187 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -1.702 5.159 0.896 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -0.405 7.288 2.558 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -1.387 5.936 3.171 1.00 0.00 H new ATOM 0 HD23 LEU A 73 0.247 6.214 3.819 1.00 0.00 H new ATOM 1156 N THR A 74 1.443 2.667 4.977 1.00 0.00 N ATOM 1157 CA THR A 74 1.584 1.743 6.089 1.00 0.00 C ATOM 1158 C THR A 74 0.377 1.924 6.999 1.00 0.00 C ATOM 1159 O THR A 74 0.068 3.057 7.396 1.00 0.00 O ATOM 1160 CB THR A 74 2.910 2.039 6.807 1.00 0.00 C ATOM 1161 OG1 THR A 74 3.985 1.976 5.886 1.00 0.00 O ATOM 1162 CG2 THR A 74 3.161 1.071 7.963 1.00 0.00 C ATOM 0 H THR A 74 1.187 3.611 5.267 1.00 0.00 H new ATOM 0 HA THR A 74 1.614 0.704 5.761 1.00 0.00 H new ATOM 0 HB THR A 74 2.841 3.044 7.224 1.00 0.00 H new ATOM 0 HG1 THR A 74 4.826 2.168 6.351 1.00 0.00 H new ATOM 0 HG21 THR A 74 4.109 1.316 8.443 1.00 0.00 H new ATOM 0 HG22 THR A 74 2.353 1.155 8.690 1.00 0.00 H new ATOM 0 HG23 THR A 74 3.200 0.051 7.581 1.00 0.00 H new ATOM 1170 N PHE A 75 -0.301 0.818 7.317 1.00 0.00 N ATOM 1171 CA PHE A 75 -1.558 0.823 8.040 1.00 0.00 C ATOM 1172 C PHE A 75 -1.552 -0.299 9.074 1.00 0.00 C ATOM 1173 O PHE A 75 -1.936 -1.438 8.795 1.00 0.00 O ATOM 1174 CB PHE A 75 -2.707 0.700 7.043 1.00 0.00 C ATOM 1175 CG PHE A 75 -2.807 1.845 6.059 1.00 0.00 C ATOM 1176 CD1 PHE A 75 -3.171 3.125 6.518 1.00 0.00 C ATOM 1177 CD2 PHE A 75 -2.514 1.642 4.697 1.00 0.00 C ATOM 1178 CE1 PHE A 75 -3.237 4.201 5.620 1.00 0.00 C ATOM 1179 CE2 PHE A 75 -2.597 2.718 3.799 1.00 0.00 C ATOM 1180 CZ PHE A 75 -2.955 3.991 4.264 1.00 0.00 C ATOM 0 H PHE A 75 0.021 -0.118 7.071 1.00 0.00 H new ATOM 0 HA PHE A 75 -1.693 1.759 8.582 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -2.592 -0.231 6.488 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -3.644 0.628 7.595 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -3.400 3.279 7.562 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -2.227 0.662 4.344 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -3.504 5.186 5.972 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -2.385 2.565 2.751 1.00 0.00 H new ATOM 0 HZ PHE A 75 -3.014 4.817 3.571 1.00 0.00 H new ATOM 1190 N GLN A 76 -1.063 0.010 10.269 1.00 0.00 N ATOM 1191 CA GLN A 76 -1.026 -0.902 11.398 1.00 0.00 C ATOM 1192 C GLN A 76 -2.436 -1.127 11.944 1.00 0.00 C ATOM 1193 O GLN A 76 -3.266 -0.212 11.942 1.00 0.00 O ATOM 1194 CB GLN A 76 -0.168 -0.266 12.498 1.00 0.00 C ATOM 1195 CG GLN A 76 1.322 -0.200 12.143 1.00 0.00 C ATOM 1196 CD GLN A 76 2.083 0.860 12.937 1.00 0.00 C ATOM 1197 OE1 GLN A 76 1.610 1.424 13.928 1.00 0.00 O ATOM 1198 NE2 GLN A 76 3.278 1.196 12.501 1.00 0.00 N ATOM 0 H GLN A 76 -0.671 0.928 10.482 1.00 0.00 H new ATOM 0 HA GLN A 76 -0.611 -1.859 11.081 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -0.532 0.742 12.696 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -0.290 -0.836 13.419 1.00 0.00 H new ATOM 0 HG2 GLN A 76 1.775 -1.175 12.323 1.00 0.00 H new ATOM 0 HG3 GLN A 76 1.426 0.008 11.078 1.00 0.00 H new ATOM 0 HE21 GLN A 76 3.671 0.732 11.682 1.00 0.00 H new ATOM 0 HE22 GLN A 76 3.811 1.921 12.982 1.00 0.00 H new ATOM 1207 N GLY A 77 -2.649 -2.305 12.527 1.00 0.00 N ATOM 1208 CA GLY A 77 -3.885 -2.701 13.192 1.00 0.00 C ATOM 1209 C GLY A 77 -4.766 -3.578 12.300 1.00 0.00 C ATOM 1210 O GLY A 77 -4.611 -3.602 11.079 1.00 0.00 O ATOM 0 H GLY A 77 -1.938 -3.036 12.549 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -3.646 -3.242 14.108 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -4.440 -1.810 13.484 1.00 0.00 H new ATOM 1214 N SER A 78 -5.743 -4.260 12.899 1.00 0.00 N ATOM 1215 CA SER A 78 -6.758 -5.072 12.224 1.00 0.00 C ATOM 1216 C SER A 78 -7.875 -4.175 11.658 1.00 0.00 C ATOM 1217 O SER A 78 -9.057 -4.296 12.010 1.00 0.00 O ATOM 1218 CB SER A 78 -7.282 -6.138 13.199 1.00 0.00 C ATOM 1219 OG SER A 78 -6.345 -7.189 13.360 1.00 0.00 O ATOM 0 H SER A 78 -5.854 -4.262 13.913 1.00 0.00 H new ATOM 0 HA SER A 78 -6.321 -5.591 11.371 1.00 0.00 H new ATOM 0 HB2 SER A 78 -7.489 -5.680 14.166 1.00 0.00 H new ATOM 0 HB3 SER A 78 -8.225 -6.541 12.829 1.00 0.00 H new ATOM 0 HG SER A 78 -6.702 -7.853 13.986 1.00 0.00 H new ATOM 1225 N LYS A 79 -7.507 -3.229 10.789 1.00 0.00 N ATOM 1226 CA LYS A 79 -8.429 -2.437 9.994 1.00 0.00 C ATOM 1227 C LYS A 79 -8.799 -3.194 8.716 1.00 0.00 C ATOM 1228 O LYS A 79 -8.204 -4.227 8.389 1.00 0.00 O ATOM 1229 CB LYS A 79 -7.748 -1.116 9.653 1.00 0.00 C ATOM 1230 CG LYS A 79 -7.620 -0.136 10.825 1.00 0.00 C ATOM 1231 CD LYS A 79 -6.685 -0.549 11.970 1.00 0.00 C ATOM 1232 CE LYS A 79 -6.443 0.623 12.921 1.00 0.00 C ATOM 1233 NZ LYS A 79 -7.622 0.917 13.764 1.00 0.00 N ATOM 0 H LYS A 79 -6.529 -2.992 10.620 1.00 0.00 H new ATOM 0 HA LYS A 79 -9.346 -2.248 10.552 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -6.752 -1.327 9.264 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -8.307 -0.632 8.852 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -7.275 0.821 10.432 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -8.614 0.029 11.240 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -7.121 -1.384 12.518 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -5.735 -0.895 11.563 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -5.589 0.398 13.560 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -6.183 1.509 12.342 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -7.409 1.719 14.391 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -8.431 1.158 13.157 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -7.856 0.081 14.337 1.00 0.00 H new ATOM 1247 N THR A 80 -9.774 -2.666 7.989 1.00 0.00 N ATOM 1248 CA THR A 80 -10.276 -3.186 6.721 1.00 0.00 C ATOM 1249 C THR A 80 -10.512 -2.067 5.695 1.00 0.00 C ATOM 1250 O THR A 80 -11.051 -2.306 4.608 1.00 0.00 O ATOM 1251 CB THR A 80 -11.526 -4.032 6.980 1.00 0.00 C ATOM 1252 OG1 THR A 80 -12.380 -3.442 7.942 1.00 0.00 O ATOM 1253 CG2 THR A 80 -11.140 -5.393 7.533 1.00 0.00 C ATOM 0 H THR A 80 -10.262 -1.820 8.281 1.00 0.00 H new ATOM 0 HA THR A 80 -9.519 -3.830 6.273 1.00 0.00 H new ATOM 0 HB THR A 80 -12.038 -4.112 6.021 1.00 0.00 H new ATOM 0 HG1 THR A 80 -13.165 -4.013 8.076 1.00 0.00 H new ATOM 0 HG21 THR A 80 -12.040 -5.982 7.712 1.00 0.00 H new ATOM 0 HG22 THR A 80 -10.504 -5.911 6.815 1.00 0.00 H new ATOM 0 HG23 THR A 80 -10.598 -5.265 8.470 1.00 0.00 H new ATOM 1261 N HIS A 81 -10.102 -0.843 6.025 1.00 0.00 N ATOM 1262 CA HIS A 81 -10.013 0.255 5.081 1.00 0.00 C ATOM 1263 C HIS A 81 -8.803 1.127 5.429 1.00 0.00 C ATOM 1264 O HIS A 81 -8.331 1.095 6.574 1.00 0.00 O ATOM 1265 CB HIS A 81 -11.332 1.041 5.069 1.00 0.00 C ATOM 1266 CG HIS A 81 -11.477 2.036 6.196 1.00 0.00 C ATOM 1267 ND1 HIS A 81 -10.970 3.306 6.159 1.00 0.00 N ATOM 1268 CD2 HIS A 81 -12.117 1.882 7.396 1.00 0.00 C ATOM 1269 CE1 HIS A 81 -11.290 3.920 7.302 1.00 0.00 C ATOM 1270 NE2 HIS A 81 -11.982 3.089 8.112 1.00 0.00 N ATOM 0 H HIS A 81 -9.820 -0.589 6.972 1.00 0.00 H new ATOM 0 HA HIS A 81 -9.862 -0.122 4.070 1.00 0.00 H new ATOM 0 HB2 HIS A 81 -11.416 1.571 4.120 1.00 0.00 H new ATOM 0 HB3 HIS A 81 -12.162 0.335 5.115 1.00 0.00 H new ATOM 0 HD1 HIS A 81 -10.438 3.715 5.390 1.00 0.00 H new ATOM 0 HD2 HIS A 81 -12.633 0.995 7.734 1.00 0.00 H new ATOM 0 HE1 HIS A 81 -11.031 4.940 7.545 1.00 0.00 H new ATOM 1278 N GLY A 82 -8.306 1.916 4.483 1.00 0.00 N ATOM 1279 CA GLY A 82 -7.213 2.870 4.665 1.00 0.00 C ATOM 1280 C GLY A 82 -7.071 3.789 3.451 1.00 0.00 C ATOM 1281 O GLY A 82 -7.354 3.384 2.323 1.00 0.00 O ATOM 0 H GLY A 82 -8.667 1.910 3.529 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -7.394 3.468 5.558 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -6.280 2.331 4.827 1.00 0.00 H new ATOM 1285 N MET A 83 -6.634 5.031 3.675 1.00 0.00 N ATOM 1286 CA MET A 83 -6.649 6.083 2.662 1.00 0.00 C ATOM 1287 C MET A 83 -5.506 5.956 1.645 1.00 0.00 C ATOM 1288 O MET A 83 -4.531 5.243 1.859 1.00 0.00 O ATOM 1289 CB MET A 83 -6.625 7.464 3.337 1.00 0.00 C ATOM 1290 CG MET A 83 -7.763 7.640 4.351 1.00 0.00 C ATOM 1291 SD MET A 83 -8.141 9.371 4.730 1.00 0.00 S ATOM 1292 CE MET A 83 -9.539 9.562 3.603 1.00 0.00 C ATOM 0 H MET A 83 -6.257 5.335 4.573 1.00 0.00 H new ATOM 0 HA MET A 83 -7.574 5.969 2.097 1.00 0.00 H new ATOM 0 HB2 MET A 83 -5.668 7.602 3.841 1.00 0.00 H new ATOM 0 HB3 MET A 83 -6.699 8.239 2.574 1.00 0.00 H new ATOM 0 HG2 MET A 83 -8.661 7.158 3.964 1.00 0.00 H new ATOM 0 HG3 MET A 83 -7.498 7.125 5.274 1.00 0.00 H new ATOM 0 HE1 MET A 83 -9.683 10.619 3.377 1.00 0.00 H new ATOM 0 HE2 MET A 83 -9.339 9.018 2.680 1.00 0.00 H new ATOM 0 HE3 MET A 83 -10.440 9.165 4.070 1.00 0.00 H new ATOM 1302 N LEU A 84 -5.574 6.742 0.572 1.00 0.00 N ATOM 1303 CA LEU A 84 -4.493 7.064 -0.340 1.00 0.00 C ATOM 1304 C LEU A 84 -4.463 8.592 -0.430 1.00 0.00 C ATOM 1305 O LEU A 84 -5.305 9.147 -1.132 1.00 0.00 O ATOM 1306 CB LEU A 84 -4.704 6.385 -1.722 1.00 0.00 C ATOM 1307 CG LEU A 84 -3.550 5.468 -2.150 1.00 0.00 C ATOM 1308 CD1 LEU A 84 -2.176 6.136 -2.183 1.00 0.00 C ATOM 1309 CD2 LEU A 84 -3.466 4.229 -1.271 1.00 0.00 C ATOM 0 H LEU A 84 -6.446 7.198 0.304 1.00 0.00 H new ATOM 0 HA LEU A 84 -3.534 6.686 0.015 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -5.625 5.803 -1.692 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -4.840 7.158 -2.478 1.00 0.00 H new ATOM 0 HG LEU A 84 -3.799 5.197 -3.176 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -1.426 5.410 -2.496 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -2.193 6.968 -2.887 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -1.928 6.508 -1.189 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -2.638 3.603 -1.603 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -3.303 4.528 -0.236 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -4.397 3.667 -1.344 1.00 0.00 H new ATOM 1321 N PRO A 85 -3.616 9.302 0.334 1.00 0.00 N ATOM 1322 CA PRO A 85 -3.449 10.748 0.214 1.00 0.00 C ATOM 1323 C PRO A 85 -2.202 11.110 -0.610 1.00 0.00 C ATOM 1324 O PRO A 85 -1.287 10.301 -0.792 1.00 0.00 O ATOM 1325 CB PRO A 85 -3.298 11.201 1.667 1.00 0.00 C ATOM 1326 CG PRO A 85 -2.464 10.066 2.279 1.00 0.00 C ATOM 1327 CD PRO A 85 -2.966 8.817 1.546 1.00 0.00 C ATOM 0 HA PRO A 85 -4.280 11.227 -0.304 1.00 0.00 H new ATOM 0 HB2 PRO A 85 -2.792 12.164 1.742 1.00 0.00 H new ATOM 0 HB3 PRO A 85 -4.263 11.309 2.162 1.00 0.00 H new ATOM 0 HG2 PRO A 85 -1.397 10.222 2.121 1.00 0.00 H new ATOM 0 HG3 PRO A 85 -2.619 9.989 3.355 1.00 0.00 H new ATOM 0 HD2 PRO A 85 -2.141 8.147 1.306 1.00 0.00 H new ATOM 0 HD3 PRO A 85 -3.664 8.254 2.166 1.00 0.00 H new ATOM 1335 N GLY A 86 -2.144 12.347 -1.108 1.00 0.00 N ATOM 1336 CA GLY A 86 -1.039 12.820 -1.937 1.00 0.00 C ATOM 1337 C GLY A 86 -1.088 12.226 -3.334 1.00 0.00 C ATOM 1338 O GLY A 86 -0.052 11.901 -3.924 1.00 0.00 O ATOM 0 H GLY A 86 -2.866 13.049 -0.946 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -1.074 13.907 -2.003 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -0.092 12.559 -1.464 1.00 0.00 H new ATOM 1342 N LEU A 87 -2.308 12.048 -3.829 1.00 0.00 N ATOM 1343 CA LEU A 87 -2.601 11.646 -5.187 1.00 0.00 C ATOM 1344 C LEU A 87 -2.640 12.922 -6.019 1.00 0.00 C ATOM 1345 O LEU A 87 -2.817 14.022 -5.490 1.00 0.00 O ATOM 1346 CB LEU A 87 -3.963 10.939 -5.218 1.00 0.00 C ATOM 1347 CG LEU A 87 -4.058 9.516 -4.626 1.00 0.00 C ATOM 1348 CD1 LEU A 87 -3.136 9.291 -3.437 1.00 0.00 C ATOM 1349 CD2 LEU A 87 -5.537 9.301 -4.303 1.00 0.00 C ATOM 0 H LEU A 87 -3.148 12.187 -3.268 1.00 0.00 H new ATOM 0 HA LEU A 87 -1.853 10.957 -5.579 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -4.678 11.569 -4.688 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -4.290 10.890 -6.257 1.00 0.00 H new ATOM 0 HG LEU A 87 -3.706 8.773 -5.341 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -3.255 8.271 -3.072 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -2.102 9.448 -3.744 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -3.389 9.992 -2.642 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -5.676 8.307 -3.878 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -5.865 10.052 -3.585 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -6.126 9.391 -5.216 1.00 0.00 H new ATOM 1361 N GLU A 88 -2.518 12.760 -7.326 1.00 0.00 N ATOM 1362 CA GLU A 88 -2.437 13.831 -8.295 1.00 0.00 C ATOM 1363 C GLU A 88 -3.705 13.756 -9.148 1.00 0.00 C ATOM 1364 O GLU A 88 -4.053 12.663 -9.616 1.00 0.00 O ATOM 1365 CB GLU A 88 -1.173 13.667 -9.145 1.00 0.00 C ATOM 1366 CG GLU A 88 0.104 13.847 -8.309 1.00 0.00 C ATOM 1367 CD GLU A 88 1.240 12.939 -8.779 1.00 0.00 C ATOM 1368 OE1 GLU A 88 1.853 13.245 -9.832 1.00 0.00 O ATOM 1369 OE2 GLU A 88 1.511 11.922 -8.097 1.00 0.00 O ATOM 0 H GLU A 88 -2.471 11.836 -7.756 1.00 0.00 H new ATOM 0 HA GLU A 88 -2.372 14.807 -7.813 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -1.170 12.679 -9.605 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -1.183 14.396 -9.955 1.00 0.00 H new ATOM 0 HG2 GLU A 88 0.427 14.887 -8.363 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -0.117 13.636 -7.263 1.00 0.00 H new ATOM 1376 N PRO A 89 -4.418 14.877 -9.329 1.00 0.00 N ATOM 1377 CA PRO A 89 -5.650 14.924 -10.090 1.00 0.00 C ATOM 1378 C PRO A 89 -5.427 14.611 -11.576 1.00 0.00 C ATOM 1379 O PRO A 89 -4.301 14.635 -12.081 1.00 0.00 O ATOM 1380 CB PRO A 89 -6.246 16.314 -9.862 1.00 0.00 C ATOM 1381 CG PRO A 89 -5.224 17.114 -9.057 1.00 0.00 C ATOM 1382 CD PRO A 89 -4.046 16.180 -8.828 1.00 0.00 C ATOM 0 HA PRO A 89 -6.344 14.154 -9.753 1.00 0.00 H new ATOM 0 HB2 PRO A 89 -6.456 16.804 -10.813 1.00 0.00 H new ATOM 0 HB3 PRO A 89 -7.191 16.244 -9.324 1.00 0.00 H new ATOM 0 HG2 PRO A 89 -4.914 18.007 -9.599 1.00 0.00 H new ATOM 0 HG3 PRO A 89 -5.648 17.447 -8.110 1.00 0.00 H new ATOM 0 HD2 PRO A 89 -3.159 16.549 -9.343 1.00 0.00 H new ATOM 0 HD3 PRO A 89 -3.800 16.127 -7.767 1.00 0.00 H new ATOM 1390 N PHE A 90 -6.533 14.360 -12.278 1.00 0.00 N ATOM 1391 CA PHE A 90 -6.620 14.006 -13.689 1.00 0.00 C ATOM 1392 C PHE A 90 -5.562 12.980 -14.126 1.00 0.00 C ATOM 1393 O PHE A 90 -4.840 13.206 -15.104 1.00 0.00 O ATOM 1394 CB PHE A 90 -6.602 15.282 -14.550 1.00 0.00 C ATOM 1395 CG PHE A 90 -7.246 15.099 -15.915 1.00 0.00 C ATOM 1396 CD1 PHE A 90 -8.618 14.801 -16.032 1.00 0.00 C ATOM 1397 CD2 PHE A 90 -6.463 15.194 -17.078 1.00 0.00 C ATOM 1398 CE1 PHE A 90 -9.193 14.596 -17.299 1.00 0.00 C ATOM 1399 CE2 PHE A 90 -7.038 15.001 -18.346 1.00 0.00 C ATOM 1400 CZ PHE A 90 -8.404 14.696 -18.456 1.00 0.00 C ATOM 0 H PHE A 90 -7.454 14.403 -11.842 1.00 0.00 H new ATOM 0 HA PHE A 90 -7.572 13.499 -13.845 1.00 0.00 H new ATOM 0 HB2 PHE A 90 -7.120 16.079 -14.016 1.00 0.00 H new ATOM 0 HB3 PHE A 90 -5.570 15.606 -14.684 1.00 0.00 H new ATOM 0 HD1 PHE A 90 -9.231 14.730 -15.145 1.00 0.00 H new ATOM 0 HD2 PHE A 90 -5.409 15.417 -16.997 1.00 0.00 H new ATOM 0 HE1 PHE A 90 -10.244 14.361 -17.382 1.00 0.00 H new ATOM 0 HE2 PHE A 90 -6.430 15.087 -19.234 1.00 0.00 H new ATOM 0 HZ PHE A 90 -8.847 14.539 -19.428 1.00 0.00 H new ATOM 1410 N SER A 91 -5.467 11.851 -13.426 1.00 0.00 N ATOM 1411 CA SER A 91 -4.547 10.766 -13.731 1.00 0.00 C ATOM 1412 C SER A 91 -5.106 9.425 -13.249 1.00 0.00 C ATOM 1413 O SER A 91 -6.217 9.352 -12.716 1.00 0.00 O ATOM 1414 CB SER A 91 -3.192 11.081 -13.088 1.00 0.00 C ATOM 1415 OG SER A 91 -2.394 11.818 -13.994 1.00 0.00 O ATOM 0 H SER A 91 -6.047 11.664 -12.608 1.00 0.00 H new ATOM 0 HA SER A 91 -4.417 10.680 -14.810 1.00 0.00 H new ATOM 0 HB2 SER A 91 -3.338 11.651 -12.170 1.00 0.00 H new ATOM 0 HB3 SER A 91 -2.686 10.156 -12.812 1.00 0.00 H new ATOM 0 HG SER A 91 -2.966 12.403 -14.533 1.00 0.00 H new ATOM 1421 N HIS A 92 -4.329 8.359 -13.457 1.00 0.00 N ATOM 1422 CA HIS A 92 -4.603 7.014 -12.985 1.00 0.00 C ATOM 1423 C HIS A 92 -3.508 6.610 -11.996 1.00 0.00 C ATOM 1424 O HIS A 92 -2.418 7.192 -11.964 1.00 0.00 O ATOM 1425 CB HIS A 92 -4.672 6.047 -14.184 1.00 0.00 C ATOM 1426 CG HIS A 92 -5.903 5.174 -14.216 1.00 0.00 C ATOM 1427 ND1 HIS A 92 -5.941 3.827 -14.492 1.00 0.00 N ATOM 1428 CD2 HIS A 92 -7.195 5.598 -14.095 1.00 0.00 C ATOM 1429 CE1 HIS A 92 -7.232 3.462 -14.575 1.00 0.00 C ATOM 1430 NE2 HIS A 92 -8.039 4.509 -14.321 1.00 0.00 N ATOM 0 H HIS A 92 -3.457 8.420 -13.982 1.00 0.00 H new ATOM 0 HA HIS A 92 -5.565 6.974 -12.474 1.00 0.00 H new ATOM 0 HB2 HIS A 92 -4.630 6.628 -15.105 1.00 0.00 H new ATOM 0 HB3 HIS A 92 -3.789 5.408 -14.170 1.00 0.00 H new ATOM 0 HD2 HIS A 92 -7.511 6.605 -13.864 1.00 0.00 H new ATOM 0 HE1 HIS A 92 -7.575 2.466 -14.813 1.00 0.00 H new ATOM 0 HE2 HIS A 92 -9.059 4.507 -14.298 1.00 0.00 H new ATOM 1438 N TYR A 93 -3.789 5.578 -11.210 1.00 0.00 N ATOM 1439 CA TYR A 93 -2.863 4.988 -10.257 1.00 0.00 C ATOM 1440 C TYR A 93 -2.948 3.476 -10.367 1.00 0.00 C ATOM 1441 O TYR A 93 -3.910 2.932 -10.914 1.00 0.00 O ATOM 1442 CB TYR A 93 -3.207 5.457 -8.834 1.00 0.00 C ATOM 1443 CG TYR A 93 -2.638 6.821 -8.504 1.00 0.00 C ATOM 1444 CD1 TYR A 93 -3.320 7.990 -8.888 1.00 0.00 C ATOM 1445 CD2 TYR A 93 -1.388 6.913 -7.863 1.00 0.00 C ATOM 1446 CE1 TYR A 93 -2.732 9.248 -8.681 1.00 0.00 C ATOM 1447 CE2 TYR A 93 -0.793 8.167 -7.648 1.00 0.00 C ATOM 1448 CZ TYR A 93 -1.457 9.334 -8.079 1.00 0.00 C ATOM 1449 OH TYR A 93 -0.882 10.554 -7.931 1.00 0.00 O ATOM 0 H TYR A 93 -4.698 5.115 -11.220 1.00 0.00 H new ATOM 0 HA TYR A 93 -1.844 5.305 -10.477 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -4.291 5.484 -8.719 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -2.829 4.729 -8.117 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -4.297 7.920 -9.343 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -0.884 6.016 -7.535 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -3.252 10.146 -8.981 1.00 0.00 H new ATOM 0 HE2 TYR A 93 0.166 8.237 -7.156 1.00 0.00 H new ATOM 0 HH TYR A 93 0.090 10.471 -8.022 1.00 0.00 H new ATOM 1459 N THR A 94 -1.969 2.792 -9.788 1.00 0.00 N ATOM 1460 CA THR A 94 -2.107 1.405 -9.377 1.00 0.00 C ATOM 1461 C THR A 94 -1.727 1.372 -7.901 1.00 0.00 C ATOM 1462 O THR A 94 -0.862 2.143 -7.486 1.00 0.00 O ATOM 1463 CB THR A 94 -1.225 0.490 -10.243 1.00 0.00 C ATOM 1464 OG1 THR A 94 -1.462 0.767 -11.610 1.00 0.00 O ATOM 1465 CG2 THR A 94 -1.473 -1.009 -9.988 1.00 0.00 C ATOM 0 H THR A 94 -1.051 3.190 -9.590 1.00 0.00 H new ATOM 0 HA THR A 94 -3.122 1.031 -9.512 1.00 0.00 H new ATOM 0 HB THR A 94 -0.191 0.699 -9.970 1.00 0.00 H new ATOM 0 HG1 THR A 94 -0.900 0.186 -12.164 1.00 0.00 H new ATOM 0 HG21 THR A 94 -0.820 -1.600 -10.630 1.00 0.00 H new ATOM 0 HG22 THR A 94 -1.262 -1.240 -8.944 1.00 0.00 H new ATOM 0 HG23 THR A 94 -2.513 -1.249 -10.210 1.00 0.00 H new ATOM 1473 N LEU A 95 -2.354 0.504 -7.111 1.00 0.00 N ATOM 1474 CA LEU A 95 -1.970 0.133 -5.754 1.00 0.00 C ATOM 1475 C LEU A 95 -2.171 -1.371 -5.578 1.00 0.00 C ATOM 1476 O LEU A 95 -2.889 -2.003 -6.358 1.00 0.00 O ATOM 1477 CB LEU A 95 -2.710 0.953 -4.684 1.00 0.00 C ATOM 1478 CG LEU A 95 -4.243 0.851 -4.514 1.00 0.00 C ATOM 1479 CD1 LEU A 95 -5.023 0.665 -5.810 1.00 0.00 C ATOM 1480 CD2 LEU A 95 -4.652 -0.264 -3.543 1.00 0.00 C ATOM 0 H LEU A 95 -3.193 0.013 -7.420 1.00 0.00 H new ATOM 0 HA LEU A 95 -0.916 0.370 -5.610 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -2.266 0.696 -3.722 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -2.480 2.002 -4.871 1.00 0.00 H new ATOM 0 HG LEU A 95 -4.509 1.826 -4.106 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -6.088 0.604 -5.588 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -4.838 1.512 -6.471 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -4.701 -0.254 -6.299 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -5.738 -0.293 -3.459 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -4.291 -1.222 -3.917 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -4.218 -0.070 -2.562 1.00 0.00 H new ATOM 1492 N ASN A 96 -1.583 -1.954 -4.537 1.00 0.00 N ATOM 1493 CA ASN A 96 -1.963 -3.277 -4.049 1.00 0.00 C ATOM 1494 C ASN A 96 -1.750 -3.355 -2.545 1.00 0.00 C ATOM 1495 O ASN A 96 -0.833 -2.734 -2.009 1.00 0.00 O ATOM 1496 CB ASN A 96 -1.275 -4.440 -4.799 1.00 0.00 C ATOM 1497 CG ASN A 96 0.242 -4.399 -4.914 1.00 0.00 C ATOM 1498 OD1 ASN A 96 0.948 -3.844 -4.085 1.00 0.00 O ATOM 1499 ND2 ASN A 96 0.795 -5.019 -5.940 1.00 0.00 N ATOM 0 H ASN A 96 -0.827 -1.521 -4.006 1.00 0.00 H new ATOM 0 HA ASN A 96 -3.024 -3.405 -4.262 1.00 0.00 H new ATOM 0 HB2 ASN A 96 -1.550 -5.371 -4.302 1.00 0.00 H new ATOM 0 HB3 ASN A 96 -1.688 -4.482 -5.807 1.00 0.00 H new ATOM 0 HD21 ASN A 96 1.810 -5.034 -6.040 1.00 0.00 H new ATOM 0 HD22 ASN A 96 0.207 -5.483 -6.633 1.00 0.00 H new ATOM 1506 N VAL A 97 -2.632 -4.089 -1.866 1.00 0.00 N ATOM 1507 CA VAL A 97 -2.587 -4.319 -0.424 1.00 0.00 C ATOM 1508 C VAL A 97 -1.766 -5.600 -0.203 1.00 0.00 C ATOM 1509 O VAL A 97 -1.714 -6.475 -1.073 1.00 0.00 O ATOM 1510 CB VAL A 97 -4.030 -4.415 0.147 1.00 0.00 C ATOM 1511 CG1 VAL A 97 -4.088 -4.370 1.678 1.00 0.00 C ATOM 1512 CG2 VAL A 97 -4.980 -3.331 -0.400 1.00 0.00 C ATOM 0 H VAL A 97 -3.420 -4.553 -2.318 1.00 0.00 H new ATOM 0 HA VAL A 97 -2.112 -3.495 0.108 1.00 0.00 H new ATOM 0 HB VAL A 97 -4.368 -5.394 -0.194 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -5.125 -4.442 2.005 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -3.520 -5.205 2.088 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -3.660 -3.432 2.031 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -5.969 -3.458 0.040 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -4.593 -2.345 -0.144 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -5.051 -3.423 -1.484 1.00 0.00 H new ATOM 1522 N ARG A 98 -1.110 -5.734 0.951 1.00 0.00 N ATOM 1523 CA ARG A 98 -0.307 -6.901 1.321 1.00 0.00 C ATOM 1524 C ARG A 98 -0.377 -7.038 2.838 1.00 0.00 C ATOM 1525 O ARG A 98 -0.422 -6.013 3.526 1.00 0.00 O ATOM 1526 CB ARG A 98 1.128 -6.654 0.818 1.00 0.00 C ATOM 1527 CG ARG A 98 1.947 -7.925 0.561 1.00 0.00 C ATOM 1528 CD ARG A 98 3.356 -7.565 0.071 1.00 0.00 C ATOM 1529 NE ARG A 98 3.978 -8.646 -0.712 1.00 0.00 N ATOM 1530 CZ ARG A 98 4.292 -8.633 -2.017 1.00 0.00 C ATOM 1531 NH1 ARG A 98 3.888 -7.657 -2.833 1.00 0.00 N ATOM 1532 NH2 ARG A 98 5.022 -9.625 -2.513 1.00 0.00 N ATOM 0 H ARG A 98 -1.123 -5.014 1.674 1.00 0.00 H new ATOM 0 HA ARG A 98 -0.667 -7.829 0.877 1.00 0.00 H new ATOM 0 HB2 ARG A 98 1.080 -6.077 -0.105 1.00 0.00 H new ATOM 0 HB3 ARG A 98 1.654 -6.041 1.550 1.00 0.00 H new ATOM 0 HG2 ARG A 98 2.013 -8.514 1.476 1.00 0.00 H new ATOM 0 HG3 ARG A 98 1.444 -8.545 -0.181 1.00 0.00 H new ATOM 0 HD2 ARG A 98 3.305 -6.663 -0.539 1.00 0.00 H new ATOM 0 HD3 ARG A 98 3.987 -7.334 0.929 1.00 0.00 H new ATOM 0 HE ARG A 98 4.195 -9.503 -0.204 1.00 0.00 H new ATOM 0 HH11 ARG A 98 3.322 -6.890 -2.470 1.00 0.00 H new ATOM 0 HH12 ARG A 98 4.145 -7.678 -3.820 1.00 0.00 H new ATOM 0 HH21 ARG A 98 5.335 -10.381 -1.905 1.00 0.00 H new ATOM 0 HH22 ARG A 98 5.270 -9.631 -3.502 1.00 0.00 H new ATOM 1546 N VAL A 99 -0.420 -8.263 3.366 1.00 0.00 N ATOM 1547 CA VAL A 99 -0.437 -8.478 4.813 1.00 0.00 C ATOM 1548 C VAL A 99 1.017 -8.585 5.298 1.00 0.00 C ATOM 1549 O VAL A 99 1.874 -9.112 4.581 1.00 0.00 O ATOM 1550 CB VAL A 99 -1.333 -9.685 5.201 1.00 0.00 C ATOM 1551 CG1 VAL A 99 -2.682 -9.729 4.453 1.00 0.00 C ATOM 1552 CG2 VAL A 99 -0.634 -11.035 5.023 1.00 0.00 C ATOM 0 H VAL A 99 -0.444 -9.120 2.813 1.00 0.00 H new ATOM 0 HA VAL A 99 -0.897 -7.632 5.324 1.00 0.00 H new ATOM 0 HB VAL A 99 -1.532 -9.519 6.260 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -3.250 -10.600 4.779 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -3.249 -8.824 4.671 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -2.501 -9.794 3.380 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -1.313 -11.837 5.311 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -0.346 -11.161 3.979 1.00 0.00 H new ATOM 0 HG23 VAL A 99 0.256 -11.070 5.652 1.00 0.00 H new ATOM 1562 N VAL A 100 1.289 -8.112 6.514 1.00 0.00 N ATOM 1563 CA VAL A 100 2.599 -8.107 7.165 1.00 0.00 C ATOM 1564 C VAL A 100 2.390 -8.577 8.608 1.00 0.00 C ATOM 1565 O VAL A 100 1.366 -8.264 9.231 1.00 0.00 O ATOM 1566 CB VAL A 100 3.219 -6.692 7.089 1.00 0.00 C ATOM 1567 CG1 VAL A 100 4.547 -6.593 7.859 1.00 0.00 C ATOM 1568 CG2 VAL A 100 3.481 -6.246 5.639 1.00 0.00 C ATOM 0 H VAL A 100 0.564 -7.701 7.102 1.00 0.00 H new ATOM 0 HA VAL A 100 3.299 -8.778 6.668 1.00 0.00 H new ATOM 0 HB VAL A 100 2.479 -6.036 7.548 1.00 0.00 H new ATOM 0 HG11 VAL A 100 4.942 -5.580 7.775 1.00 0.00 H new ATOM 0 HG12 VAL A 100 4.377 -6.830 8.909 1.00 0.00 H new ATOM 0 HG13 VAL A 100 5.264 -7.298 7.439 1.00 0.00 H new ATOM 0 HG21 VAL A 100 3.916 -5.247 5.639 1.00 0.00 H new ATOM 0 HG22 VAL A 100 4.171 -6.943 5.163 1.00 0.00 H new ATOM 0 HG23 VAL A 100 2.541 -6.232 5.087 1.00 0.00 H new ATOM 1578 N ASN A 101 3.328 -9.351 9.151 1.00 0.00 N ATOM 1579 CA ASN A 101 3.261 -9.910 10.493 1.00 0.00 C ATOM 1580 C ASN A 101 4.648 -9.966 11.138 1.00 0.00 C ATOM 1581 O ASN A 101 5.613 -9.413 10.603 1.00 0.00 O ATOM 1582 CB ASN A 101 2.532 -11.272 10.466 1.00 0.00 C ATOM 1583 CG ASN A 101 3.358 -12.472 10.021 1.00 0.00 C ATOM 1584 OD1 ASN A 101 4.563 -12.408 9.795 1.00 0.00 O ATOM 1585 ND2 ASN A 101 2.707 -13.610 9.926 1.00 0.00 N ATOM 0 H ASN A 101 4.179 -9.612 8.652 1.00 0.00 H new ATOM 0 HA ASN A 101 2.670 -9.253 11.131 1.00 0.00 H new ATOM 0 HB2 ASN A 101 2.147 -11.474 11.466 1.00 0.00 H new ATOM 0 HB3 ASN A 101 1.670 -11.186 9.804 1.00 0.00 H new ATOM 0 HD21 ASN A 101 3.203 -14.461 9.660 1.00 0.00 H new ATOM 0 HD22 ASN A 101 1.706 -13.642 10.118 1.00 0.00 H new ATOM 1592 N GLY A 102 4.737 -10.569 12.328 1.00 0.00 N ATOM 1593 CA GLY A 102 5.940 -10.581 13.152 1.00 0.00 C ATOM 1594 C GLY A 102 7.131 -11.294 12.507 1.00 0.00 C ATOM 1595 O GLY A 102 8.244 -11.175 13.024 1.00 0.00 O ATOM 0 H GLY A 102 3.956 -11.071 12.750 1.00 0.00 H new ATOM 0 HA2 GLY A 102 6.224 -9.553 13.377 1.00 0.00 H new ATOM 0 HA3 GLY A 102 5.712 -11.064 14.102 1.00 0.00 H new ATOM 1599 N LYS A 103 6.934 -12.000 11.390 1.00 0.00 N ATOM 1600 CA LYS A 103 7.935 -12.839 10.744 1.00 0.00 C ATOM 1601 C LYS A 103 8.285 -12.348 9.338 1.00 0.00 C ATOM 1602 O LYS A 103 9.366 -12.653 8.828 1.00 0.00 O ATOM 1603 CB LYS A 103 7.366 -14.269 10.742 1.00 0.00 C ATOM 1604 CG LYS A 103 8.380 -15.379 10.436 1.00 0.00 C ATOM 1605 CD LYS A 103 9.518 -15.388 11.457 1.00 0.00 C ATOM 1606 CE LYS A 103 10.406 -16.611 11.256 1.00 0.00 C ATOM 1607 NZ LYS A 103 11.566 -16.567 12.160 1.00 0.00 N ATOM 0 H LYS A 103 6.041 -12.000 10.897 1.00 0.00 H new ATOM 0 HA LYS A 103 8.879 -12.802 11.288 1.00 0.00 H new ATOM 0 HB2 LYS A 103 6.920 -14.466 11.717 1.00 0.00 H new ATOM 0 HB3 LYS A 103 6.562 -14.321 10.007 1.00 0.00 H new ATOM 0 HG2 LYS A 103 7.877 -16.346 10.441 1.00 0.00 H new ATOM 0 HG3 LYS A 103 8.788 -15.237 9.435 1.00 0.00 H new ATOM 0 HD2 LYS A 103 10.112 -14.480 11.356 1.00 0.00 H new ATOM 0 HD3 LYS A 103 9.108 -15.391 12.467 1.00 0.00 H new ATOM 0 HE2 LYS A 103 9.830 -17.518 11.439 1.00 0.00 H new ATOM 0 HE3 LYS A 103 10.747 -16.653 10.221 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 12.158 -17.409 12.007 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 12.125 -15.711 11.967 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 11.237 -16.550 13.146 1.00 0.00 H new ATOM 1621 N GLY A 104 7.399 -11.594 8.694 1.00 0.00 N ATOM 1622 CA GLY A 104 7.607 -11.129 7.335 1.00 0.00 C ATOM 1623 C GLY A 104 6.291 -10.689 6.722 1.00 0.00 C ATOM 1624 O GLY A 104 5.375 -10.272 7.431 1.00 0.00 O ATOM 0 H GLY A 104 6.516 -11.290 9.105 1.00 0.00 H new ATOM 0 HA2 GLY A 104 8.313 -10.299 7.332 1.00 0.00 H new ATOM 0 HA3 GLY A 104 8.048 -11.925 6.735 1.00 0.00 H new ATOM 1628 N GLU A 105 6.195 -10.764 5.397 1.00 0.00 N ATOM 1629 CA GLU A 105 5.016 -10.354 4.652 1.00 0.00 C ATOM 1630 C GLU A 105 4.553 -11.476 3.735 1.00 0.00 C ATOM 1631 O GLU A 105 5.298 -12.414 3.427 1.00 0.00 O ATOM 1632 CB GLU A 105 5.284 -9.031 3.917 1.00 0.00 C ATOM 1633 CG GLU A 105 6.295 -9.115 2.772 1.00 0.00 C ATOM 1634 CD GLU A 105 6.838 -7.730 2.420 1.00 0.00 C ATOM 1635 OE1 GLU A 105 7.600 -7.185 3.258 1.00 0.00 O ATOM 1636 OE2 GLU A 105 6.438 -7.155 1.381 1.00 0.00 O ATOM 0 H GLU A 105 6.947 -11.117 4.805 1.00 0.00 H new ATOM 0 HA GLU A 105 4.192 -10.162 5.340 1.00 0.00 H new ATOM 0 HB2 GLU A 105 4.340 -8.657 3.520 1.00 0.00 H new ATOM 0 HB3 GLU A 105 5.639 -8.297 4.641 1.00 0.00 H new ATOM 0 HG2 GLU A 105 7.118 -9.771 3.056 1.00 0.00 H new ATOM 0 HG3 GLU A 105 5.822 -9.558 1.896 1.00 0.00 H new ATOM 1643 N GLY A 106 3.291 -11.388 3.336 1.00 0.00 N ATOM 1644 CA GLY A 106 2.623 -12.398 2.544 1.00 0.00 C ATOM 1645 C GLY A 106 2.526 -12.006 1.081 1.00 0.00 C ATOM 1646 O GLY A 106 3.203 -11.074 0.629 1.00 0.00 O ATOM 0 H GLY A 106 2.695 -10.592 3.562 1.00 0.00 H new ATOM 0 HA2 GLY A 106 3.162 -13.341 2.631 1.00 0.00 H new ATOM 0 HA3 GLY A 106 1.622 -12.566 2.941 1.00 0.00 H new ATOM 1650 N PRO A 107 1.682 -12.719 0.326 1.00 0.00 N ATOM 1651 CA PRO A 107 1.328 -12.295 -1.010 1.00 0.00 C ATOM 1652 C PRO A 107 0.502 -11.013 -0.947 1.00 0.00 C ATOM 1653 O PRO A 107 -0.002 -10.606 0.108 1.00 0.00 O ATOM 1654 CB PRO A 107 0.555 -13.474 -1.587 1.00 0.00 C ATOM 1655 CG PRO A 107 -0.152 -14.069 -0.379 1.00 0.00 C ATOM 1656 CD PRO A 107 0.846 -13.838 0.754 1.00 0.00 C ATOM 0 HA PRO A 107 2.186 -12.052 -1.636 1.00 0.00 H new ATOM 0 HB2 PRO A 107 -0.156 -13.153 -2.348 1.00 0.00 H new ATOM 0 HB3 PRO A 107 1.221 -14.197 -2.058 1.00 0.00 H new ATOM 0 HG2 PRO A 107 -1.104 -13.575 -0.185 1.00 0.00 H new ATOM 0 HG3 PRO A 107 -0.366 -15.129 -0.518 1.00 0.00 H new ATOM 0 HD2 PRO A 107 0.332 -13.607 1.687 1.00 0.00 H new ATOM 0 HD3 PRO A 107 1.447 -14.729 0.933 1.00 0.00 H new ATOM 1664 N ALA A 108 0.369 -10.390 -2.110 1.00 0.00 N ATOM 1665 CA ALA A 108 -0.395 -9.179 -2.306 1.00 0.00 C ATOM 1666 C ALA A 108 -1.729 -9.558 -2.919 1.00 0.00 C ATOM 1667 O ALA A 108 -1.826 -10.558 -3.634 1.00 0.00 O ATOM 1668 CB ALA A 108 0.399 -8.265 -3.228 1.00 0.00 C ATOM 0 H ALA A 108 0.806 -10.730 -2.967 1.00 0.00 H new ATOM 0 HA ALA A 108 -0.578 -8.656 -1.367 1.00 0.00 H new ATOM 0 HB1 ALA A 108 -0.157 -7.342 -3.392 1.00 0.00 H new ATOM 0 HB2 ALA A 108 1.361 -8.033 -2.770 1.00 0.00 H new ATOM 0 HB3 ALA A 108 0.563 -8.765 -4.183 1.00 0.00 H new ATOM 1674 N SER A 109 -2.752 -8.770 -2.623 1.00 0.00 N ATOM 1675 CA SER A 109 -4.083 -8.967 -3.177 1.00 0.00 C ATOM 1676 C SER A 109 -4.088 -8.498 -4.640 1.00 0.00 C ATOM 1677 O SER A 109 -3.188 -7.743 -5.025 1.00 0.00 O ATOM 1678 CB SER A 109 -5.074 -8.215 -2.281 1.00 0.00 C ATOM 1679 OG SER A 109 -4.589 -6.939 -1.933 1.00 0.00 O ATOM 0 H SER A 109 -2.682 -7.973 -1.990 1.00 0.00 H new ATOM 0 HA SER A 109 -4.381 -10.015 -3.192 1.00 0.00 H new ATOM 0 HB2 SER A 109 -6.029 -8.114 -2.797 1.00 0.00 H new ATOM 0 HB3 SER A 109 -5.260 -8.794 -1.376 1.00 0.00 H new ATOM 0 HG SER A 109 -4.593 -6.360 -2.724 1.00 0.00 H new ATOM 1685 N PRO A 110 -5.107 -8.847 -5.448 1.00 0.00 N ATOM 1686 CA PRO A 110 -5.177 -8.453 -6.852 1.00 0.00 C ATOM 1687 C PRO A 110 -5.077 -6.929 -6.996 1.00 0.00 C ATOM 1688 O PRO A 110 -5.839 -6.192 -6.362 1.00 0.00 O ATOM 1689 CB PRO A 110 -6.493 -9.035 -7.379 1.00 0.00 C ATOM 1690 CG PRO A 110 -7.332 -9.242 -6.120 1.00 0.00 C ATOM 1691 CD PRO A 110 -6.273 -9.648 -5.103 1.00 0.00 C ATOM 0 HA PRO A 110 -4.343 -8.838 -7.438 1.00 0.00 H new ATOM 0 HB2 PRO A 110 -6.980 -8.354 -8.077 1.00 0.00 H new ATOM 0 HB3 PRO A 110 -6.331 -9.973 -7.910 1.00 0.00 H new ATOM 0 HG2 PRO A 110 -7.856 -8.333 -5.824 1.00 0.00 H new ATOM 0 HG3 PRO A 110 -8.087 -10.016 -6.255 1.00 0.00 H new ATOM 0 HD2 PRO A 110 -6.604 -9.448 -4.084 1.00 0.00 H new ATOM 0 HD3 PRO A 110 -6.054 -10.714 -5.163 1.00 0.00 H new ATOM 1699 N ASP A 111 -4.100 -6.465 -7.778 1.00 0.00 N ATOM 1700 CA ASP A 111 -3.687 -5.072 -7.904 1.00 0.00 C ATOM 1701 C ASP A 111 -4.878 -4.276 -8.404 1.00 0.00 C ATOM 1702 O ASP A 111 -5.672 -4.773 -9.213 1.00 0.00 O ATOM 1703 CB ASP A 111 -2.504 -4.882 -8.881 1.00 0.00 C ATOM 1704 CG ASP A 111 -1.210 -5.655 -8.583 1.00 0.00 C ATOM 1705 OD1 ASP A 111 -1.168 -6.542 -7.705 1.00 0.00 O ATOM 1706 OD2 ASP A 111 -0.223 -5.487 -9.329 1.00 0.00 O ATOM 0 H ASP A 111 -3.549 -7.086 -8.370 1.00 0.00 H new ATOM 0 HA ASP A 111 -3.349 -4.728 -6.927 1.00 0.00 H new ATOM 0 HB2 ASP A 111 -2.842 -5.163 -9.878 1.00 0.00 H new ATOM 0 HB3 ASP A 111 -2.262 -3.820 -8.914 1.00 0.00 H new ATOM 1711 N ARG A 112 -5.036 -3.050 -7.924 1.00 0.00 N ATOM 1712 CA ARG A 112 -6.192 -2.224 -8.235 1.00 0.00 C ATOM 1713 C ARG A 112 -5.735 -0.936 -8.865 1.00 0.00 C ATOM 1714 O ARG A 112 -4.567 -0.564 -8.779 1.00 0.00 O ATOM 1715 CB ARG A 112 -7.041 -1.994 -6.969 1.00 0.00 C ATOM 1716 CG ARG A 112 -7.874 -3.228 -6.638 1.00 0.00 C ATOM 1717 CD ARG A 112 -9.050 -3.366 -7.584 1.00 0.00 C ATOM 1718 NE ARG A 112 -9.679 -4.694 -7.568 1.00 0.00 N ATOM 1719 CZ ARG A 112 -9.354 -5.771 -8.286 1.00 0.00 C ATOM 1720 NH1 ARG A 112 -8.130 -5.949 -8.763 1.00 0.00 N ATOM 1721 NH2 ARG A 112 -10.289 -6.662 -8.574 1.00 0.00 N ATOM 0 H ARG A 112 -4.362 -2.599 -7.305 1.00 0.00 H new ATOM 0 HA ARG A 112 -6.832 -2.735 -8.955 1.00 0.00 H new ATOM 0 HB2 ARG A 112 -6.390 -1.754 -6.129 1.00 0.00 H new ATOM 0 HB3 ARG A 112 -7.698 -1.137 -7.118 1.00 0.00 H new ATOM 0 HG2 ARG A 112 -7.249 -4.119 -6.699 1.00 0.00 H new ATOM 0 HG3 ARG A 112 -8.235 -3.161 -5.612 1.00 0.00 H new ATOM 0 HD2 ARG A 112 -9.799 -2.617 -7.327 1.00 0.00 H new ATOM 0 HD3 ARG A 112 -8.715 -3.146 -8.598 1.00 0.00 H new ATOM 0 HE ARG A 112 -10.464 -4.807 -6.926 1.00 0.00 H new ATOM 0 HH11 ARG A 112 -7.407 -5.252 -8.584 1.00 0.00 H new ATOM 0 HH12 ARG A 112 -7.912 -6.783 -9.309 1.00 0.00 H new ATOM 0 HH21 ARG A 112 -11.245 -6.521 -8.248 1.00 0.00 H new ATOM 0 HH22 ARG A 112 -10.053 -7.489 -9.122 1.00 0.00 H new ATOM 1735 N VAL A 113 -6.683 -0.264 -9.492 1.00 0.00 N ATOM 1736 CA VAL A 113 -6.487 1.029 -10.112 1.00 0.00 C ATOM 1737 C VAL A 113 -7.539 1.965 -9.547 1.00 0.00 C ATOM 1738 O VAL A 113 -8.507 1.513 -8.931 1.00 0.00 O ATOM 1739 CB VAL A 113 -6.494 0.934 -11.652 1.00 0.00 C ATOM 1740 CG1 VAL A 113 -5.774 -0.322 -12.163 1.00 0.00 C ATOM 1741 CG2 VAL A 113 -7.894 1.014 -12.264 1.00 0.00 C ATOM 0 H VAL A 113 -7.636 -0.614 -9.585 1.00 0.00 H new ATOM 0 HA VAL A 113 -5.500 1.429 -9.878 1.00 0.00 H new ATOM 0 HB VAL A 113 -5.942 1.814 -11.983 1.00 0.00 H new ATOM 0 HG11 VAL A 113 -5.807 -0.342 -13.252 1.00 0.00 H new ATOM 0 HG12 VAL A 113 -4.736 -0.307 -11.831 1.00 0.00 H new ATOM 0 HG13 VAL A 113 -6.268 -1.210 -11.769 1.00 0.00 H new ATOM 0 HG21 VAL A 113 -7.821 0.941 -13.349 1.00 0.00 H new ATOM 0 HG22 VAL A 113 -8.504 0.194 -11.885 1.00 0.00 H new ATOM 0 HG23 VAL A 113 -8.355 1.964 -11.995 1.00 0.00 H new ATOM 1751 N PHE A 114 -7.355 3.256 -9.781 1.00 0.00 N ATOM 1752 CA PHE A 114 -8.365 4.265 -9.555 1.00 0.00 C ATOM 1753 C PHE A 114 -8.006 5.479 -10.406 1.00 0.00 C ATOM 1754 O PHE A 114 -6.844 5.640 -10.800 1.00 0.00 O ATOM 1755 CB PHE A 114 -8.436 4.594 -8.061 1.00 0.00 C ATOM 1756 CG PHE A 114 -7.135 4.967 -7.371 1.00 0.00 C ATOM 1757 CD1 PHE A 114 -6.358 3.966 -6.760 1.00 0.00 C ATOM 1758 CD2 PHE A 114 -6.737 6.311 -7.265 1.00 0.00 C ATOM 1759 CE1 PHE A 114 -5.238 4.309 -5.984 1.00 0.00 C ATOM 1760 CE2 PHE A 114 -5.601 6.648 -6.509 1.00 0.00 C ATOM 1761 CZ PHE A 114 -4.870 5.653 -5.830 1.00 0.00 C ATOM 0 H PHE A 114 -6.479 3.634 -10.141 1.00 0.00 H new ATOM 0 HA PHE A 114 -9.356 3.916 -9.847 1.00 0.00 H new ATOM 0 HB2 PHE A 114 -9.137 5.418 -7.929 1.00 0.00 H new ATOM 0 HB3 PHE A 114 -8.857 3.732 -7.545 1.00 0.00 H new ATOM 0 HD1 PHE A 114 -6.624 2.927 -6.888 1.00 0.00 H new ATOM 0 HD2 PHE A 114 -7.303 7.084 -7.764 1.00 0.00 H new ATOM 0 HE1 PHE A 114 -4.658 3.534 -5.504 1.00 0.00 H new ATOM 0 HE2 PHE A 114 -5.286 7.679 -6.448 1.00 0.00 H new ATOM 0 HZ PHE A 114 -4.036 5.922 -5.199 1.00 0.00 H new ATOM 1771 N ASN A 115 -8.987 6.341 -10.679 1.00 0.00 N ATOM 1772 CA ASN A 115 -8.828 7.558 -11.456 1.00 0.00 C ATOM 1773 C ASN A 115 -9.145 8.763 -10.589 1.00 0.00 C ATOM 1774 O ASN A 115 -10.079 8.730 -9.782 1.00 0.00 O ATOM 1775 CB ASN A 115 -9.763 7.548 -12.669 1.00 0.00 C ATOM 1776 CG ASN A 115 -11.192 7.962 -12.324 1.00 0.00 C ATOM 1777 OD1 ASN A 115 -11.907 7.231 -11.638 1.00 0.00 O ATOM 1778 ND2 ASN A 115 -11.614 9.140 -12.743 1.00 0.00 N ATOM 0 H ASN A 115 -9.943 6.201 -10.352 1.00 0.00 H new ATOM 0 HA ASN A 115 -7.797 7.614 -11.805 1.00 0.00 H new ATOM 0 HB2 ASN A 115 -9.369 8.222 -13.430 1.00 0.00 H new ATOM 0 HB3 ASN A 115 -9.775 6.548 -13.103 1.00 0.00 H new ATOM 0 HD21 ASN A 115 -12.551 9.462 -12.500 1.00 0.00 H new ATOM 0 HD22 ASN A 115 -11.004 9.728 -13.310 1.00 0.00 H new ATOM 1785 N THR A 116 -8.409 9.844 -10.792 1.00 0.00 N ATOM 1786 CA THR A 116 -8.634 11.066 -10.046 1.00 0.00 C ATOM 1787 C THR A 116 -9.473 12.042 -10.888 1.00 0.00 C ATOM 1788 O THR A 116 -9.304 12.117 -12.113 1.00 0.00 O ATOM 1789 CB THR A 116 -7.297 11.628 -9.542 1.00 0.00 C ATOM 1790 OG1 THR A 116 -6.334 11.680 -10.578 1.00 0.00 O ATOM 1791 CG2 THR A 116 -6.726 10.765 -8.410 1.00 0.00 C ATOM 0 H THR A 116 -7.649 9.897 -11.470 1.00 0.00 H new ATOM 0 HA THR A 116 -9.222 10.873 -9.148 1.00 0.00 H new ATOM 0 HB THR A 116 -7.502 12.635 -9.178 1.00 0.00 H new ATOM 0 HG1 THR A 116 -5.559 12.199 -10.278 1.00 0.00 H new ATOM 0 HG21 THR A 116 -5.779 11.187 -8.073 1.00 0.00 H new ATOM 0 HG22 THR A 116 -7.430 10.743 -7.578 1.00 0.00 H new ATOM 0 HG23 THR A 116 -6.562 9.750 -8.773 1.00 0.00 H new ATOM 1799 N PRO A 117 -10.384 12.809 -10.262 1.00 0.00 N ATOM 1800 CA PRO A 117 -11.110 13.875 -10.931 1.00 0.00 C ATOM 1801 C PRO A 117 -10.123 14.978 -11.326 1.00 0.00 C ATOM 1802 O PRO A 117 -8.973 14.991 -10.887 1.00 0.00 O ATOM 1803 CB PRO A 117 -12.177 14.338 -9.935 1.00 0.00 C ATOM 1804 CG PRO A 117 -11.603 13.975 -8.567 1.00 0.00 C ATOM 1805 CD PRO A 117 -10.593 12.869 -8.830 1.00 0.00 C ATOM 0 HA PRO A 117 -11.595 13.562 -11.856 1.00 0.00 H new ATOM 0 HB2 PRO A 117 -12.359 15.409 -10.018 1.00 0.00 H new ATOM 0 HB3 PRO A 117 -13.129 13.838 -10.112 1.00 0.00 H new ATOM 0 HG2 PRO A 117 -11.128 14.837 -8.100 1.00 0.00 H new ATOM 0 HG3 PRO A 117 -12.387 13.637 -7.890 1.00 0.00 H new ATOM 0 HD2 PRO A 117 -9.656 13.074 -8.313 1.00 0.00 H new ATOM 0 HD3 PRO A 117 -10.962 11.914 -8.455 1.00 0.00 H new ATOM 1813 N GLU A 118 -10.560 15.906 -12.174 1.00 0.00 N ATOM 1814 CA GLU A 118 -9.671 16.807 -12.903 1.00 0.00 C ATOM 1815 C GLU A 118 -8.824 17.734 -12.018 1.00 0.00 C ATOM 1816 O GLU A 118 -7.751 18.195 -12.421 1.00 0.00 O ATOM 1817 CB GLU A 118 -10.503 17.588 -13.920 1.00 0.00 C ATOM 1818 CG GLU A 118 -9.674 18.623 -14.683 1.00 0.00 C ATOM 1819 CD GLU A 118 -10.362 19.043 -15.976 1.00 0.00 C ATOM 1820 OE1 GLU A 118 -10.499 18.184 -16.866 1.00 0.00 O ATOM 1821 OE2 GLU A 118 -10.724 20.244 -16.103 1.00 0.00 O ATOM 0 H GLU A 118 -11.549 16.055 -12.376 1.00 0.00 H new ATOM 0 HA GLU A 118 -8.927 16.192 -13.410 1.00 0.00 H new ATOM 0 HB2 GLU A 118 -10.951 16.892 -14.629 1.00 0.00 H new ATOM 0 HB3 GLU A 118 -11.322 18.091 -13.405 1.00 0.00 H new ATOM 0 HG2 GLU A 118 -9.513 19.498 -14.054 1.00 0.00 H new ATOM 0 HG3 GLU A 118 -8.692 18.209 -14.910 1.00 0.00 H new ATOM 1828 N GLY A 119 -9.297 17.982 -10.806 1.00 0.00 N ATOM 1829 CA GLY A 119 -8.751 18.948 -9.871 1.00 0.00 C ATOM 1830 C GLY A 119 -9.898 19.753 -9.296 1.00 0.00 C ATOM 1831 O GLY A 119 -10.050 20.929 -9.633 1.00 0.00 O ATOM 0 H GLY A 119 -10.110 17.491 -10.433 1.00 0.00 H new ATOM 0 HA2 GLY A 119 -8.207 18.440 -9.075 1.00 0.00 H new ATOM 0 HA3 GLY A 119 -8.041 19.604 -10.374 1.00 0.00 H new