USER MOD reduce.3.24.130724 H: found=0, std=0, add=749, rem=0, adj=15 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 80:sc= -0.779 USER MOD Set 1.2: A 92 HIS : no HD1:sc= -3.02! C(o=-3.8!,f=-4.4!) USER MOD Set 2.1: A 24 HIS : no HD1:sc= -3.31! C(o=-3.5!,f=-11!) USER MOD Set 2.2: A 54 ASN : amide:sc= -0.196 K(o=-3.5,f=-7.7!) USER MOD Single : A 19 GLN : amide:sc= -0.112 K(o=-0.11,f=-1) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 27 MET CE :methyl -179:sc= -0.0975 (180deg=-0.115) USER MOD Single : A 28 THR OG1 : rot 180:sc=-0.000688 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 30 GLN : amide:sc= -0.376 X(o=-0.38,f=-0.11) USER MOD Single : A 34 CYS SG : rot 180:sc= 0 USER MOD Single : A 40 SER OG : rot -51:sc= 0.237 USER MOD Single : A 43 GLN : amide:sc= -0.0879 K(o=-0.088,f=-0.62) USER MOD Single : A 44 GLN : amide:sc= -0.0969 K(o=-0.097,f=-1.6!) USER MOD Single : A 45 THR OG1 : rot -150:sc= -0.54 USER MOD Single : A 46 GLN : amide:sc= 0.308 K(o=0.31,f=-0.74) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 THR OG1 : rot 82:sc= 1.29 USER MOD Single : A 58 GLN : amide:sc= -6.6! C(o=-6.6!,f=-11!) USER MOD Single : A 63 ASN : amide:sc= -3.14! C(o=-3.1!,f=-5.1!) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 GLN : amide:sc= -2.39! K(o=-2.4!,f=-3.1) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0.00517 USER MOD Single : A 75 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 76 GLN : amide:sc= -4.91! C(o=-4.9!,f=-3.2!) USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 ASN : amide:sc= -6.13! C(o=-6.1!,f=-6.2!) 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= -1.62 K(o=-1.6,f=-0.37) USER MOD Single : A 93 SER OG : rot 92:sc= 1 USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 98 HIS : no HD1:sc= -5.19! K(o=-5.2!,f=-3.4) USER MOD Single : A 102 ASN : amide:sc= -3.81! C(o=-3.8!,f=-8.1!) USER MOD ----------------------------------------------------------------- ATOM 128 N VAL A 13 -2.600 4.685 -17.652 1.00 0.00 N ATOM 129 CA VAL A 13 -2.451 4.037 -16.354 1.00 0.00 C ATOM 130 C VAL A 13 -3.599 4.407 -15.421 1.00 0.00 C ATOM 131 O VAL A 13 -4.276 3.535 -14.879 1.00 0.00 O ATOM 132 CB VAL A 13 -1.117 4.419 -15.686 1.00 0.00 C ATOM 133 CG1 VAL A 13 -0.999 3.765 -14.318 1.00 0.00 C ATOM 134 CG2 VAL A 13 0.054 4.029 -16.575 1.00 0.00 C ATOM 0 HA VAL A 13 -2.464 2.962 -16.533 1.00 0.00 H new ATOM 0 HB VAL A 13 -1.095 5.500 -15.549 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -0.050 4.046 -13.861 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -1.820 4.098 -13.683 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -1.042 2.681 -14.428 1.00 0.00 H new ATOM 0 HG21 VAL A 13 0.989 4.306 -16.088 1.00 0.00 H new ATOM 0 HG22 VAL A 13 0.039 2.952 -16.745 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -0.025 4.549 -17.530 1.00 0.00 H new ATOM 144 N GLU A 14 -3.811 5.707 -15.239 1.00 0.00 N ATOM 145 CA GLU A 14 -4.877 6.192 -14.370 1.00 0.00 C ATOM 146 C GLU A 14 -6.135 5.343 -14.527 1.00 0.00 C ATOM 147 O GLU A 14 -6.724 4.899 -13.542 1.00 0.00 O ATOM 148 CB GLU A 14 -5.194 7.656 -14.683 1.00 0.00 C ATOM 149 CG GLU A 14 -3.999 8.583 -14.534 1.00 0.00 C ATOM 150 CD GLU A 14 -4.195 9.907 -15.246 1.00 0.00 C ATOM 151 OE1 GLU A 14 -5.173 10.615 -14.922 1.00 0.00 O ATOM 152 OE2 GLU A 14 -3.373 10.236 -16.125 1.00 0.00 O ATOM 0 H GLU A 14 -3.259 6.442 -15.681 1.00 0.00 H new ATOM 0 HA GLU A 14 -4.534 6.115 -13.338 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -5.573 7.727 -15.702 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -5.991 7.996 -14.022 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -3.817 8.768 -13.475 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -3.110 8.090 -14.929 1.00 0.00 H new ATOM 159 N GLY A 15 -6.541 5.122 -15.773 1.00 0.00 N ATOM 160 CA GLY A 15 -7.727 4.328 -16.037 1.00 0.00 C ATOM 161 C GLY A 15 -7.903 3.200 -15.040 1.00 0.00 C ATOM 162 O GLY A 15 -8.990 3.008 -14.496 1.00 0.00 O ATOM 0 H GLY A 15 -6.070 5.478 -16.605 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -8.605 4.973 -16.010 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -7.666 3.913 -17.043 1.00 0.00 H new ATOM 166 N ALA A 16 -6.832 2.450 -14.802 1.00 0.00 N ATOM 167 CA ALA A 16 -6.873 1.336 -13.863 1.00 0.00 C ATOM 168 C ALA A 16 -7.667 1.699 -12.613 1.00 0.00 C ATOM 169 O ALA A 16 -8.623 1.014 -12.253 1.00 0.00 O ATOM 170 CB ALA A 16 -5.461 0.909 -13.489 1.00 0.00 C ATOM 0 H ALA A 16 -5.925 2.594 -15.247 1.00 0.00 H new ATOM 0 HA ALA A 16 -7.376 0.501 -14.350 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -5.507 0.076 -12.787 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -4.925 0.599 -14.386 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -4.939 1.746 -13.026 1.00 0.00 H new ATOM 176 N ALA A 17 -7.263 2.781 -11.955 1.00 0.00 N ATOM 177 CA ALA A 17 -7.938 3.236 -10.746 1.00 0.00 C ATOM 178 C ALA A 17 -9.436 2.956 -10.815 1.00 0.00 C ATOM 179 O ALA A 17 -10.066 2.645 -9.804 1.00 0.00 O ATOM 180 CB ALA A 17 -7.687 4.721 -10.528 1.00 0.00 C ATOM 0 H ALA A 17 -6.472 3.358 -12.239 1.00 0.00 H new ATOM 0 HA ALA A 17 -7.529 2.682 -9.901 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -8.197 5.047 -9.622 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -6.616 4.898 -10.425 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -8.068 5.283 -11.381 1.00 0.00 H new ATOM 186 N PHE A 18 -10.000 3.068 -12.013 1.00 0.00 N ATOM 187 CA PHE A 18 -11.424 2.828 -12.213 1.00 0.00 C ATOM 188 C PHE A 18 -11.879 1.589 -11.449 1.00 0.00 C ATOM 189 O PHE A 18 -12.783 1.658 -10.616 1.00 0.00 O ATOM 190 CB PHE A 18 -11.731 2.664 -13.703 1.00 0.00 C ATOM 191 CG PHE A 18 -13.047 1.992 -13.974 1.00 0.00 C ATOM 192 CD1 PHE A 18 -13.141 0.610 -14.002 1.00 0.00 C ATOM 193 CD2 PHE A 18 -14.189 2.742 -14.200 1.00 0.00 C ATOM 194 CE1 PHE A 18 -14.350 -0.012 -14.250 1.00 0.00 C ATOM 195 CE2 PHE A 18 -15.401 2.126 -14.448 1.00 0.00 C ATOM 196 CZ PHE A 18 -15.481 0.747 -14.475 1.00 0.00 C ATOM 0 H PHE A 18 -9.492 3.324 -12.860 1.00 0.00 H new ATOM 0 HA PHE A 18 -11.970 3.690 -11.830 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -11.729 3.646 -14.176 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -10.934 2.085 -14.168 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -12.259 0.012 -13.828 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -14.132 3.820 -14.182 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -14.410 -1.090 -14.268 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -16.285 2.722 -14.621 1.00 0.00 H new ATOM 0 HZ PHE A 18 -16.427 0.264 -14.672 1.00 0.00 H new ATOM 206 N GLN A 19 -11.247 0.456 -11.740 1.00 0.00 N ATOM 207 CA GLN A 19 -11.588 -0.799 -11.081 1.00 0.00 C ATOM 208 C GLN A 19 -11.889 -0.574 -9.603 1.00 0.00 C ATOM 209 O GLN A 19 -12.730 -1.258 -9.020 1.00 0.00 O ATOM 210 CB GLN A 19 -10.446 -1.806 -11.234 1.00 0.00 C ATOM 211 CG GLN A 19 -9.241 -1.496 -10.361 1.00 0.00 C ATOM 212 CD GLN A 19 -8.323 -2.690 -10.188 1.00 0.00 C ATOM 213 OE1 GLN A 19 -7.343 -2.845 -10.917 1.00 0.00 O ATOM 214 NE2 GLN A 19 -8.636 -3.543 -9.219 1.00 0.00 N ATOM 0 H GLN A 19 -10.497 0.382 -12.427 1.00 0.00 H new ATOM 0 HA GLN A 19 -12.483 -1.199 -11.558 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -10.815 -2.802 -10.989 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -10.132 -1.831 -12.277 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -8.680 -0.672 -10.802 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -9.583 -1.161 -9.382 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -9.458 -3.376 -8.638 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -8.055 -4.365 -9.056 1.00 0.00 H new ATOM 223 N SER A 20 -11.197 0.389 -9.003 1.00 0.00 N ATOM 224 CA SER A 20 -11.387 0.701 -7.591 1.00 0.00 C ATOM 225 C SER A 20 -12.135 2.020 -7.423 1.00 0.00 C ATOM 226 O SER A 20 -11.816 3.015 -8.075 1.00 0.00 O ATOM 227 CB SER A 20 -10.037 0.772 -6.876 1.00 0.00 C ATOM 228 OG SER A 20 -9.558 -0.524 -6.560 1.00 0.00 O ATOM 0 H SER A 20 -10.500 0.967 -9.472 1.00 0.00 H new ATOM 0 HA SER A 20 -11.984 -0.095 -7.145 1.00 0.00 H new ATOM 0 HB2 SER A 20 -9.314 1.286 -7.509 1.00 0.00 H new ATOM 0 HB3 SER A 20 -10.136 1.359 -5.963 1.00 0.00 H new ATOM 0 HG SER A 20 -8.693 -0.451 -6.105 1.00 0.00 H new ATOM 234 N ARG A 21 -13.131 2.021 -6.543 1.00 0.00 N ATOM 235 CA ARG A 21 -13.925 3.216 -6.289 1.00 0.00 C ATOM 236 C ARG A 21 -13.164 4.196 -5.401 1.00 0.00 C ATOM 237 O ARG A 21 -13.402 4.272 -4.195 1.00 0.00 O ATOM 238 CB ARG A 21 -15.254 2.841 -5.630 1.00 0.00 C ATOM 239 CG ARG A 21 -16.245 2.192 -6.583 1.00 0.00 C ATOM 240 CD ARG A 21 -16.084 0.681 -6.609 1.00 0.00 C ATOM 241 NE ARG A 21 -16.890 0.026 -5.582 1.00 0.00 N ATOM 242 CZ ARG A 21 -16.970 -1.292 -5.440 1.00 0.00 C ATOM 243 NH1 ARG A 21 -16.297 -2.092 -6.254 1.00 0.00 N ATOM 244 NH2 ARG A 21 -17.725 -1.812 -4.480 1.00 0.00 N ATOM 0 H ARG A 21 -13.407 1.207 -5.994 1.00 0.00 H new ATOM 0 HA ARG A 21 -14.125 3.699 -7.246 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -15.060 2.159 -4.802 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -15.705 3.738 -5.205 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -17.261 2.446 -6.281 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -16.101 2.592 -7.587 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -16.371 0.303 -7.590 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -15.034 0.426 -6.463 1.00 0.00 H new ATOM 0 HE ARG A 21 -17.421 0.613 -4.938 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -15.715 -1.696 -6.992 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -16.361 -3.104 -6.142 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -18.244 -1.199 -3.851 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -17.786 -2.824 -4.371 1.00 0.00 H new ATOM 258 N LEU A 22 -12.247 4.944 -6.005 1.00 0.00 N ATOM 259 CA LEU A 22 -11.450 5.920 -5.270 1.00 0.00 C ATOM 260 C LEU A 22 -10.738 6.873 -6.225 1.00 0.00 C ATOM 261 O LEU A 22 -10.387 6.516 -7.350 1.00 0.00 O ATOM 262 CB LEU A 22 -10.425 5.207 -4.385 1.00 0.00 C ATOM 263 CG LEU A 22 -9.265 4.529 -5.114 1.00 0.00 C ATOM 264 CD1 LEU A 22 -8.096 5.489 -5.268 1.00 0.00 C ATOM 265 CD2 LEU A 22 -8.831 3.273 -4.373 1.00 0.00 C ATOM 0 H LEU A 22 -12.037 4.893 -7.002 1.00 0.00 H new ATOM 0 HA LEU A 22 -12.123 6.502 -4.641 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -10.013 5.933 -3.684 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -10.946 4.454 -3.794 1.00 0.00 H new ATOM 0 HG LEU A 22 -9.605 4.241 -6.109 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -7.280 4.988 -5.789 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -8.413 6.359 -5.842 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -7.755 5.809 -4.283 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -8.004 2.803 -4.906 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -8.509 3.538 -3.366 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -9.668 2.577 -4.316 1.00 0.00 H new ATOM 277 N PRO A 23 -10.518 8.114 -5.768 1.00 0.00 N ATOM 278 CA PRO A 23 -9.844 9.143 -6.565 1.00 0.00 C ATOM 279 C PRO A 23 -8.361 8.847 -6.760 1.00 0.00 C ATOM 280 O PRO A 23 -7.711 8.278 -5.882 1.00 0.00 O ATOM 281 CB PRO A 23 -10.030 10.415 -5.734 1.00 0.00 C ATOM 282 CG PRO A 23 -10.201 9.931 -4.335 1.00 0.00 C ATOM 283 CD PRO A 23 -10.910 8.609 -4.438 1.00 0.00 C ATOM 0 HA PRO A 23 -10.255 9.211 -7.572 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -9.167 11.075 -5.822 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -10.900 10.981 -6.066 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -9.236 9.819 -3.840 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -10.781 10.640 -3.745 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -10.601 7.925 -3.648 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -11.991 8.725 -4.355 1.00 0.00 H new ATOM 291 N HIS A 24 -7.831 9.235 -7.916 1.00 0.00 N ATOM 292 CA HIS A 24 -6.424 9.011 -8.225 1.00 0.00 C ATOM 293 C HIS A 24 -5.597 10.257 -7.925 1.00 0.00 C ATOM 294 O HIS A 24 -4.400 10.169 -7.649 1.00 0.00 O ATOM 295 CB HIS A 24 -6.259 8.617 -9.693 1.00 0.00 C ATOM 296 CG HIS A 24 -4.943 9.026 -10.279 1.00 0.00 C ATOM 297 ND1 HIS A 24 -3.730 8.686 -9.717 1.00 0.00 N ATOM 298 CD2 HIS A 24 -4.653 9.750 -11.386 1.00 0.00 C ATOM 299 CE1 HIS A 24 -2.752 9.185 -10.451 1.00 0.00 C ATOM 300 NE2 HIS A 24 -3.285 9.834 -11.471 1.00 0.00 N ATOM 0 H HIS A 24 -8.355 9.706 -8.654 1.00 0.00 H new ATOM 0 HA HIS A 24 -6.064 8.197 -7.595 1.00 0.00 H new ATOM 0 HB2 HIS A 24 -6.368 7.536 -9.785 1.00 0.00 H new ATOM 0 HB3 HIS A 24 -7.062 9.069 -10.274 1.00 0.00 H new ATOM 0 HD2 HIS A 24 -5.365 10.181 -12.074 1.00 0.00 H new ATOM 0 HE1 HIS A 24 -1.696 9.080 -10.251 1.00 0.00 H new ATOM 0 HE2 HIS A 24 -2.765 10.319 -12.203 1.00 0.00 H new ATOM 309 N ASP A 25 -6.242 11.417 -7.982 1.00 0.00 N ATOM 310 CA ASP A 25 -5.566 12.682 -7.716 1.00 0.00 C ATOM 311 C ASP A 25 -5.428 12.919 -6.215 1.00 0.00 C ATOM 312 O ASP A 25 -4.536 13.641 -5.770 1.00 0.00 O ATOM 313 CB ASP A 25 -6.332 13.839 -8.359 1.00 0.00 C ATOM 314 CG ASP A 25 -5.680 15.182 -8.095 1.00 0.00 C ATOM 315 OD1 ASP A 25 -4.561 15.408 -8.600 1.00 0.00 O ATOM 316 OD2 ASP A 25 -6.290 16.007 -7.382 1.00 0.00 O ATOM 0 H ASP A 25 -7.232 11.508 -8.210 1.00 0.00 H new ATOM 0 HA ASP A 25 -4.568 12.631 -8.151 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -6.397 13.675 -9.435 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -7.353 13.852 -7.977 1.00 0.00 H new ATOM 321 N ARG A 26 -6.318 12.307 -5.440 1.00 0.00 N ATOM 322 CA ARG A 26 -6.297 12.454 -3.990 1.00 0.00 C ATOM 323 C ARG A 26 -6.351 11.092 -3.305 1.00 0.00 C ATOM 324 O ARG A 26 -6.648 10.079 -3.938 1.00 0.00 O ATOM 325 CB ARG A 26 -7.472 13.317 -3.526 1.00 0.00 C ATOM 326 CG ARG A 26 -8.791 12.956 -4.188 1.00 0.00 C ATOM 327 CD ARG A 26 -9.857 14.007 -3.917 1.00 0.00 C ATOM 328 NE ARG A 26 -11.201 13.437 -3.924 1.00 0.00 N ATOM 329 CZ ARG A 26 -12.304 14.159 -4.087 1.00 0.00 C ATOM 330 NH1 ARG A 26 -12.222 15.472 -4.255 1.00 0.00 N ATOM 331 NH2 ARG A 26 -13.492 13.569 -4.082 1.00 0.00 N ATOM 0 H ARG A 26 -7.062 11.705 -5.792 1.00 0.00 H new ATOM 0 HA ARG A 26 -5.364 12.944 -3.713 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -7.579 13.220 -2.446 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -7.247 14.364 -3.731 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -8.644 12.854 -5.263 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -9.131 11.988 -3.820 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -9.667 14.476 -2.951 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -9.792 14.792 -4.671 1.00 0.00 H new ATOM 0 HE ARG A 26 -11.298 12.430 -3.797 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -11.310 15.930 -4.259 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -13.070 16.024 -4.380 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -13.560 12.559 -3.953 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -14.338 14.125 -4.207 1.00 0.00 H new ATOM 345 N MET A 27 -6.061 11.075 -2.008 1.00 0.00 N ATOM 346 CA MET A 27 -6.078 9.837 -1.237 1.00 0.00 C ATOM 347 C MET A 27 -7.362 9.721 -0.422 1.00 0.00 C ATOM 348 O MET A 27 -8.047 10.715 -0.179 1.00 0.00 O ATOM 349 CB MET A 27 -4.863 9.773 -0.310 1.00 0.00 C ATOM 350 CG MET A 27 -3.539 9.984 -1.026 1.00 0.00 C ATOM 351 SD MET A 27 -2.209 10.454 0.097 1.00 0.00 S ATOM 352 CE MET A 27 -2.083 8.980 1.108 1.00 0.00 C ATOM 0 H MET A 27 -5.811 11.904 -1.469 1.00 0.00 H new ATOM 0 HA MET A 27 -6.037 9.002 -1.936 1.00 0.00 H new ATOM 0 HB2 MET A 27 -4.970 10.529 0.468 1.00 0.00 H new ATOM 0 HB3 MET A 27 -4.847 8.803 0.188 1.00 0.00 H new ATOM 0 HG2 MET A 27 -3.262 9.068 -1.547 1.00 0.00 H new ATOM 0 HG3 MET A 27 -3.660 10.758 -1.784 1.00 0.00 H new ATOM 0 HE1 MET A 27 -1.312 9.123 1.865 1.00 0.00 H new ATOM 0 HE2 MET A 27 -3.039 8.790 1.596 1.00 0.00 H new ATOM 0 HE3 MET A 27 -1.821 8.129 0.479 1.00 0.00 H new ATOM 362 N THR A 28 -7.683 8.502 -0.002 1.00 0.00 N ATOM 363 CA THR A 28 -8.885 8.256 0.785 1.00 0.00 C ATOM 364 C THR A 28 -8.543 8.016 2.250 1.00 0.00 C ATOM 365 O THR A 28 -7.418 7.643 2.583 1.00 0.00 O ATOM 366 CB THR A 28 -9.670 7.045 0.247 1.00 0.00 C ATOM 367 OG1 THR A 28 -8.823 5.891 0.205 1.00 0.00 O ATOM 368 CG2 THR A 28 -10.218 7.329 -1.143 1.00 0.00 C ATOM 0 H THR A 28 -7.127 7.669 -0.194 1.00 0.00 H new ATOM 0 HA THR A 28 -9.506 9.148 0.702 1.00 0.00 H new ATOM 0 HB THR A 28 -10.508 6.856 0.919 1.00 0.00 H new ATOM 0 HG1 THR A 28 -9.330 5.125 -0.137 1.00 0.00 H new ATOM 0 HG21 THR A 28 -10.768 6.459 -1.502 1.00 0.00 H new ATOM 0 HG22 THR A 28 -10.886 8.190 -1.102 1.00 0.00 H new ATOM 0 HG23 THR A 28 -9.393 7.542 -1.823 1.00 0.00 H new ATOM 376 N SER A 29 -9.522 8.231 3.124 1.00 0.00 N ATOM 377 CA SER A 29 -9.323 8.040 4.556 1.00 0.00 C ATOM 378 C SER A 29 -8.368 6.881 4.823 1.00 0.00 C ATOM 379 O SER A 29 -7.457 6.990 5.642 1.00 0.00 O ATOM 380 CB SER A 29 -10.663 7.782 5.248 1.00 0.00 C ATOM 381 OG SER A 29 -11.517 8.909 5.143 1.00 0.00 O ATOM 0 H SER A 29 -10.460 8.537 2.865 1.00 0.00 H new ATOM 0 HA SER A 29 -8.882 8.951 4.961 1.00 0.00 H new ATOM 0 HB2 SER A 29 -11.146 6.913 4.800 1.00 0.00 H new ATOM 0 HB3 SER A 29 -10.494 7.547 6.299 1.00 0.00 H new ATOM 0 HG SER A 29 -12.367 8.718 5.591 1.00 0.00 H new ATOM 387 N GLN A 30 -8.586 5.771 4.124 1.00 0.00 N ATOM 388 CA GLN A 30 -7.745 4.590 4.286 1.00 0.00 C ATOM 389 C GLN A 30 -6.302 4.892 3.897 1.00 0.00 C ATOM 390 O GLN A 30 -5.399 4.831 4.731 1.00 0.00 O ATOM 391 CB GLN A 30 -8.283 3.436 3.439 1.00 0.00 C ATOM 392 CG GLN A 30 -7.822 2.067 3.913 1.00 0.00 C ATOM 393 CD GLN A 30 -8.834 0.977 3.622 1.00 0.00 C ATOM 394 OE1 GLN A 30 -8.997 0.040 4.404 1.00 0.00 O ATOM 395 NE2 GLN A 30 -9.521 1.093 2.491 1.00 0.00 N ATOM 0 H GLN A 30 -9.336 5.665 3.441 1.00 0.00 H new ATOM 0 HA GLN A 30 -7.766 4.301 5.337 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -9.373 3.467 3.448 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -7.969 3.578 2.405 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -6.877 1.819 3.430 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -7.631 2.103 4.986 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -9.354 1.886 1.872 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -10.216 0.389 2.242 1.00 0.00 H new ATOM 404 N GLU A 31 -6.093 5.218 2.625 1.00 0.00 N ATOM 405 CA GLU A 31 -4.758 5.528 2.126 1.00 0.00 C ATOM 406 C GLU A 31 -4.053 6.525 3.042 1.00 0.00 C ATOM 407 O GLU A 31 -2.879 6.360 3.369 1.00 0.00 O ATOM 408 CB GLU A 31 -4.838 6.091 0.706 1.00 0.00 C ATOM 409 CG GLU A 31 -5.386 5.103 -0.310 1.00 0.00 C ATOM 410 CD GLU A 31 -4.692 3.756 -0.247 1.00 0.00 C ATOM 411 OE1 GLU A 31 -4.901 3.027 0.744 1.00 0.00 O ATOM 412 OE2 GLU A 31 -3.940 3.432 -1.190 1.00 0.00 O ATOM 0 H GLU A 31 -6.830 5.274 1.922 1.00 0.00 H new ATOM 0 HA GLU A 31 -4.180 4.604 2.110 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -5.468 6.980 0.712 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -3.843 6.407 0.393 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -6.454 4.966 -0.138 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -5.275 5.518 -1.312 1.00 0.00 H new ATOM 419 N ALA A 32 -4.780 7.560 3.450 1.00 0.00 N ATOM 420 CA ALA A 32 -4.226 8.583 4.328 1.00 0.00 C ATOM 421 C ALA A 32 -3.766 7.981 5.651 1.00 0.00 C ATOM 422 O ALA A 32 -2.743 8.384 6.205 1.00 0.00 O ATOM 423 CB ALA A 32 -5.252 9.680 4.574 1.00 0.00 C ATOM 0 H ALA A 32 -5.754 7.712 3.187 1.00 0.00 H new ATOM 0 HA ALA A 32 -3.357 9.017 3.835 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -4.825 10.437 5.231 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -5.529 10.138 3.625 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -6.138 9.251 5.042 1.00 0.00 H new ATOM 429 N ALA A 33 -4.527 7.014 6.153 1.00 0.00 N ATOM 430 CA ALA A 33 -4.196 6.356 7.410 1.00 0.00 C ATOM 431 C ALA A 33 -2.965 5.469 7.258 1.00 0.00 C ATOM 432 O ALA A 33 -2.079 5.469 8.113 1.00 0.00 O ATOM 433 CB ALA A 33 -5.380 5.538 7.905 1.00 0.00 C ATOM 0 H ALA A 33 -5.377 6.669 5.708 1.00 0.00 H new ATOM 0 HA ALA A 33 -3.967 7.127 8.146 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -5.119 5.052 8.845 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -6.236 6.195 8.062 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -5.635 4.781 7.163 1.00 0.00 H new ATOM 439 N CYS A 34 -2.917 4.714 6.166 1.00 0.00 N ATOM 440 CA CYS A 34 -1.795 3.820 5.903 1.00 0.00 C ATOM 441 C CYS A 34 -0.519 4.614 5.639 1.00 0.00 C ATOM 442 O CYS A 34 0.536 4.319 6.201 1.00 0.00 O ATOM 443 CB CYS A 34 -2.104 2.916 4.709 1.00 0.00 C ATOM 444 SG CYS A 34 -1.288 1.304 4.773 1.00 0.00 S ATOM 0 H CYS A 34 -3.642 4.703 5.449 1.00 0.00 H new ATOM 0 HA CYS A 34 -1.641 3.201 6.787 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -3.182 2.764 4.652 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -1.805 3.426 3.793 1.00 0.00 H new ATOM 0 HG CYS A 34 -1.612 0.611 3.722 1.00 0.00 H new ATOM 450 N PHE A 35 -0.623 5.621 4.778 1.00 0.00 N ATOM 451 CA PHE A 35 0.523 6.456 4.436 1.00 0.00 C ATOM 452 C PHE A 35 0.322 7.885 4.931 1.00 0.00 C ATOM 453 O PHE A 35 -0.165 8.756 4.210 1.00 0.00 O ATOM 454 CB PHE A 35 0.748 6.455 2.923 1.00 0.00 C ATOM 455 CG PHE A 35 0.738 5.081 2.316 1.00 0.00 C ATOM 456 CD1 PHE A 35 -0.452 4.394 2.145 1.00 0.00 C ATOM 457 CD2 PHE A 35 1.919 4.477 1.916 1.00 0.00 C ATOM 458 CE1 PHE A 35 -0.464 3.129 1.587 1.00 0.00 C ATOM 459 CE2 PHE A 35 1.914 3.213 1.357 1.00 0.00 C ATOM 460 CZ PHE A 35 0.720 2.539 1.192 1.00 0.00 C ATOM 0 H PHE A 35 -1.489 5.879 4.304 1.00 0.00 H new ATOM 0 HA PHE A 35 1.403 6.041 4.927 1.00 0.00 H new ATOM 0 HB2 PHE A 35 -0.026 7.059 2.448 1.00 0.00 H new ATOM 0 HB3 PHE A 35 1.703 6.933 2.706 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -1.381 4.851 2.451 1.00 0.00 H new ATOM 0 HD2 PHE A 35 2.855 5.000 2.043 1.00 0.00 H new ATOM 0 HE1 PHE A 35 -1.399 2.603 1.460 1.00 0.00 H new ATOM 0 HE2 PHE A 35 2.842 2.753 1.050 1.00 0.00 H new ATOM 0 HZ PHE A 35 0.712 1.552 0.755 1.00 0.00 H new ATOM 470 N PRO A 36 0.705 8.133 6.193 1.00 0.00 N ATOM 471 CA PRO A 36 0.577 9.455 6.813 1.00 0.00 C ATOM 472 C PRO A 36 1.543 10.472 6.216 1.00 0.00 C ATOM 473 O PRO A 36 1.168 11.612 5.942 1.00 0.00 O ATOM 474 CB PRO A 36 0.918 9.192 8.282 1.00 0.00 C ATOM 475 CG PRO A 36 1.784 7.979 8.258 1.00 0.00 C ATOM 476 CD PRO A 36 1.293 7.142 7.110 1.00 0.00 C ATOM 0 HA PRO A 36 -0.414 9.882 6.661 1.00 0.00 H new ATOM 0 HB2 PRO A 36 1.438 10.041 8.726 1.00 0.00 H new ATOM 0 HB3 PRO A 36 0.018 9.024 8.874 1.00 0.00 H new ATOM 0 HG2 PRO A 36 2.831 8.250 8.123 1.00 0.00 H new ATOM 0 HG3 PRO A 36 1.715 7.431 9.198 1.00 0.00 H new ATOM 0 HD2 PRO A 36 2.106 6.590 6.638 1.00 0.00 H new ATOM 0 HD3 PRO A 36 0.556 6.408 7.434 1.00 0.00 H new ATOM 484 N ASP A 37 2.787 10.052 6.016 1.00 0.00 N ATOM 485 CA ASP A 37 3.808 10.926 5.449 1.00 0.00 C ATOM 486 C ASP A 37 3.387 11.430 4.072 1.00 0.00 C ATOM 487 O ASP A 37 3.607 12.593 3.732 1.00 0.00 O ATOM 488 CB ASP A 37 5.144 10.189 5.350 1.00 0.00 C ATOM 489 CG ASP A 37 5.551 9.551 6.663 1.00 0.00 C ATOM 490 OD1 ASP A 37 5.108 8.415 6.934 1.00 0.00 O ATOM 491 OD2 ASP A 37 6.315 10.187 7.420 1.00 0.00 O ATOM 0 H ASP A 37 3.113 9.111 6.238 1.00 0.00 H new ATOM 0 HA ASP A 37 3.925 11.784 6.111 1.00 0.00 H new ATOM 0 HB2 ASP A 37 5.075 9.419 4.581 1.00 0.00 H new ATOM 0 HB3 ASP A 37 5.918 10.887 5.033 1.00 0.00 H new ATOM 496 N ILE A 38 2.784 10.547 3.283 1.00 0.00 N ATOM 497 CA ILE A 38 2.333 10.903 1.943 1.00 0.00 C ATOM 498 C ILE A 38 1.234 11.959 1.995 1.00 0.00 C ATOM 499 O ILE A 38 1.345 13.015 1.371 1.00 0.00 O ATOM 500 CB ILE A 38 1.811 9.672 1.180 1.00 0.00 C ATOM 501 CG1 ILE A 38 2.904 8.606 1.079 1.00 0.00 C ATOM 502 CG2 ILE A 38 1.326 10.074 -0.205 1.00 0.00 C ATOM 503 CD1 ILE A 38 4.214 9.133 0.537 1.00 0.00 C ATOM 0 H ILE A 38 2.596 9.580 3.548 1.00 0.00 H new ATOM 0 HA ILE A 38 3.197 11.308 1.416 1.00 0.00 H new ATOM 0 HB ILE A 38 0.969 9.251 1.731 1.00 0.00 H new ATOM 0 HG12 ILE A 38 3.075 8.178 2.067 1.00 0.00 H new ATOM 0 HG13 ILE A 38 2.554 7.798 0.437 1.00 0.00 H new ATOM 0 HG21 ILE A 38 0.960 9.193 -0.732 1.00 0.00 H new ATOM 0 HG22 ILE A 38 0.520 10.802 -0.111 1.00 0.00 H new ATOM 0 HG23 ILE A 38 2.150 10.516 -0.765 1.00 0.00 H new ATOM 0 HD11 ILE A 38 4.942 8.323 0.493 1.00 0.00 H new ATOM 0 HD12 ILE A 38 4.058 9.535 -0.464 1.00 0.00 H new ATOM 0 HD13 ILE A 38 4.587 9.921 1.191 1.00 0.00 H new ATOM 515 N ILE A 39 0.176 11.667 2.744 1.00 0.00 N ATOM 516 CA ILE A 39 -0.941 12.593 2.879 1.00 0.00 C ATOM 517 C ILE A 39 -0.494 13.905 3.515 1.00 0.00 C ATOM 518 O ILE A 39 -1.020 14.972 3.197 1.00 0.00 O ATOM 519 CB ILE A 39 -2.076 11.986 3.726 1.00 0.00 C ATOM 520 CG1 ILE A 39 -3.257 12.955 3.805 1.00 0.00 C ATOM 521 CG2 ILE A 39 -1.571 11.643 5.120 1.00 0.00 C ATOM 522 CD1 ILE A 39 -4.071 13.020 2.531 1.00 0.00 C ATOM 0 H ILE A 39 0.069 10.797 3.266 1.00 0.00 H new ATOM 0 HA ILE A 39 -1.313 12.788 1.873 1.00 0.00 H new ATOM 0 HB ILE A 39 -2.415 11.067 3.247 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -3.907 12.656 4.627 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -2.884 13.952 4.039 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -2.384 11.215 5.706 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -0.758 10.920 5.045 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -1.208 12.547 5.608 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -4.891 13.726 2.659 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -3.435 13.348 1.709 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -4.474 12.033 2.306 1.00 0.00 H new ATOM 534 N SER A 40 0.481 13.819 4.413 1.00 0.00 N ATOM 535 CA SER A 40 0.999 15.000 5.096 1.00 0.00 C ATOM 536 C SER A 40 2.264 15.511 4.413 1.00 0.00 C ATOM 537 O SER A 40 3.171 16.025 5.066 1.00 0.00 O ATOM 538 CB SER A 40 1.291 14.680 6.563 1.00 0.00 C ATOM 539 OG SER A 40 1.478 15.865 7.316 1.00 0.00 O ATOM 0 H SER A 40 0.929 12.944 4.685 1.00 0.00 H new ATOM 0 HA SER A 40 0.240 15.780 5.046 1.00 0.00 H new ATOM 0 HB2 SER A 40 0.467 14.104 6.984 1.00 0.00 H new ATOM 0 HB3 SER A 40 2.183 14.057 6.632 1.00 0.00 H new ATOM 0 HG SER A 40 2.141 16.434 6.872 1.00 0.00 H new ATOM 545 N GLY A 41 2.317 15.364 3.092 1.00 0.00 N ATOM 546 CA GLY A 41 3.474 15.815 2.342 1.00 0.00 C ATOM 547 C GLY A 41 3.105 16.771 1.225 1.00 0.00 C ATOM 548 O GLY A 41 1.939 17.119 1.037 1.00 0.00 O ATOM 0 H GLY A 41 1.579 14.941 2.529 1.00 0.00 H new ATOM 0 HA2 GLY A 41 4.173 16.305 3.019 1.00 0.00 H new ATOM 0 HA3 GLY A 41 3.990 14.952 1.921 1.00 0.00 H new ATOM 552 N PRO A 42 4.114 17.214 0.461 1.00 0.00 N ATOM 553 CA PRO A 42 3.915 18.142 -0.655 1.00 0.00 C ATOM 554 C PRO A 42 3.184 17.493 -1.826 1.00 0.00 C ATOM 555 O PRO A 42 3.322 16.294 -2.066 1.00 0.00 O ATOM 556 CB PRO A 42 5.341 18.523 -1.060 1.00 0.00 C ATOM 557 CG PRO A 42 6.179 17.373 -0.619 1.00 0.00 C ATOM 558 CD PRO A 42 5.529 16.841 0.628 1.00 0.00 C ATOM 0 HA PRO A 42 3.297 18.993 -0.371 1.00 0.00 H new ATOM 0 HB2 PRO A 42 5.419 18.680 -2.136 1.00 0.00 H new ATOM 0 HB3 PRO A 42 5.655 19.449 -0.579 1.00 0.00 H new ATOM 0 HG2 PRO A 42 6.227 16.606 -1.392 1.00 0.00 H new ATOM 0 HG3 PRO A 42 7.203 17.690 -0.421 1.00 0.00 H new ATOM 0 HD2 PRO A 42 5.652 15.762 0.716 1.00 0.00 H new ATOM 0 HD3 PRO A 42 5.958 17.285 1.526 1.00 0.00 H new ATOM 566 N GLN A 43 2.408 18.293 -2.550 1.00 0.00 N ATOM 567 CA GLN A 43 1.656 17.795 -3.696 1.00 0.00 C ATOM 568 C GLN A 43 2.444 16.721 -4.439 1.00 0.00 C ATOM 569 O GLN A 43 1.921 15.646 -4.732 1.00 0.00 O ATOM 570 CB GLN A 43 1.314 18.943 -4.647 1.00 0.00 C ATOM 571 CG GLN A 43 0.374 18.542 -5.772 1.00 0.00 C ATOM 572 CD GLN A 43 -0.988 18.107 -5.267 1.00 0.00 C ATOM 573 OE1 GLN A 43 -1.489 18.629 -4.270 1.00 0.00 O ATOM 574 NE2 GLN A 43 -1.596 17.148 -5.954 1.00 0.00 N ATOM 0 H GLN A 43 2.284 19.288 -2.364 1.00 0.00 H new ATOM 0 HA GLN A 43 0.731 17.351 -3.327 1.00 0.00 H new ATOM 0 HB2 GLN A 43 0.860 19.753 -4.077 1.00 0.00 H new ATOM 0 HB3 GLN A 43 2.236 19.334 -5.077 1.00 0.00 H new ATOM 0 HG2 GLN A 43 0.252 19.382 -6.456 1.00 0.00 H new ATOM 0 HG3 GLN A 43 0.822 17.729 -6.343 1.00 0.00 H new ATOM 0 HE21 GLN A 43 -1.144 16.743 -6.774 1.00 0.00 H new ATOM 0 HE22 GLN A 43 -2.515 16.816 -5.662 1.00 0.00 H new ATOM 583 N GLN A 44 3.704 17.020 -4.739 1.00 0.00 N ATOM 584 CA GLN A 44 4.563 16.080 -5.449 1.00 0.00 C ATOM 585 C GLN A 44 4.546 14.711 -4.776 1.00 0.00 C ATOM 586 O GLN A 44 4.155 13.714 -5.383 1.00 0.00 O ATOM 587 CB GLN A 44 5.996 16.612 -5.512 1.00 0.00 C ATOM 588 CG GLN A 44 6.849 15.941 -6.576 1.00 0.00 C ATOM 589 CD GLN A 44 6.746 16.626 -7.924 1.00 0.00 C ATOM 590 OE1 GLN A 44 6.517 17.833 -8.004 1.00 0.00 O ATOM 591 NE2 GLN A 44 6.917 15.858 -8.993 1.00 0.00 N ATOM 0 H GLN A 44 4.152 17.905 -4.502 1.00 0.00 H new ATOM 0 HA GLN A 44 4.178 15.971 -6.463 1.00 0.00 H new ATOM 0 HB2 GLN A 44 5.968 17.685 -5.704 1.00 0.00 H new ATOM 0 HB3 GLN A 44 6.469 16.474 -4.539 1.00 0.00 H new ATOM 0 HG2 GLN A 44 7.890 15.938 -6.253 1.00 0.00 H new ATOM 0 HG3 GLN A 44 6.544 14.900 -6.678 1.00 0.00 H new ATOM 0 HE21 GLN A 44 7.105 14.862 -8.880 1.00 0.00 H new ATOM 0 HE22 GLN A 44 6.860 16.264 -9.927 1.00 0.00 H new ATOM 600 N THR A 45 4.972 14.671 -3.518 1.00 0.00 N ATOM 601 CA THR A 45 5.007 13.425 -2.763 1.00 0.00 C ATOM 602 C THR A 45 3.713 12.639 -2.939 1.00 0.00 C ATOM 603 O THR A 45 3.734 11.469 -3.322 1.00 0.00 O ATOM 604 CB THR A 45 5.236 13.684 -1.262 1.00 0.00 C ATOM 605 OG1 THR A 45 6.515 14.295 -1.060 1.00 0.00 O ATOM 606 CG2 THR A 45 5.158 12.387 -0.470 1.00 0.00 C ATOM 0 H THR A 45 5.298 15.487 -3.000 1.00 0.00 H new ATOM 0 HA THR A 45 5.840 12.841 -3.155 1.00 0.00 H new ATOM 0 HB THR A 45 4.453 14.355 -0.909 1.00 0.00 H new ATOM 0 HG1 THR A 45 6.866 14.037 -0.182 1.00 0.00 H new ATOM 0 HG21 THR A 45 5.323 12.596 0.587 1.00 0.00 H new ATOM 0 HG22 THR A 45 4.173 11.939 -0.602 1.00 0.00 H new ATOM 0 HG23 THR A 45 5.922 11.696 -0.827 1.00 0.00 H new ATOM 614 N GLN A 46 2.588 13.289 -2.657 1.00 0.00 N ATOM 615 CA GLN A 46 1.284 12.649 -2.785 1.00 0.00 C ATOM 616 C GLN A 46 1.129 11.999 -4.156 1.00 0.00 C ATOM 617 O GLN A 46 0.741 10.835 -4.263 1.00 0.00 O ATOM 618 CB GLN A 46 0.167 13.670 -2.562 1.00 0.00 C ATOM 619 CG GLN A 46 0.044 14.131 -1.119 1.00 0.00 C ATOM 620 CD GLN A 46 -1.086 15.122 -0.917 1.00 0.00 C ATOM 621 OE1 GLN A 46 -1.691 15.595 -1.879 1.00 0.00 O ATOM 622 NE2 GLN A 46 -1.376 15.442 0.338 1.00 0.00 N ATOM 0 H GLN A 46 2.553 14.257 -2.339 1.00 0.00 H new ATOM 0 HA GLN A 46 1.213 11.871 -2.024 1.00 0.00 H new ATOM 0 HB2 GLN A 46 0.346 14.537 -3.198 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -0.781 13.234 -2.878 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -0.118 13.265 -0.477 1.00 0.00 H new ATOM 0 HG3 GLN A 46 0.983 14.588 -0.806 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -0.849 15.026 1.105 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -2.126 16.104 0.535 1.00 0.00 H new ATOM 631 N LYS A 47 1.433 12.758 -5.203 1.00 0.00 N ATOM 632 CA LYS A 47 1.328 12.257 -6.568 1.00 0.00 C ATOM 633 C LYS A 47 2.194 11.017 -6.761 1.00 0.00 C ATOM 634 O LYS A 47 1.741 10.010 -7.305 1.00 0.00 O ATOM 635 CB LYS A 47 1.744 13.342 -7.565 1.00 0.00 C ATOM 636 CG LYS A 47 0.801 14.533 -7.596 1.00 0.00 C ATOM 637 CD LYS A 47 0.905 15.292 -8.908 1.00 0.00 C ATOM 638 CE LYS A 47 2.015 16.331 -8.865 1.00 0.00 C ATOM 639 NZ LYS A 47 1.923 17.289 -10.001 1.00 0.00 N ATOM 0 H LYS A 47 1.754 13.723 -5.132 1.00 0.00 H new ATOM 0 HA LYS A 47 0.288 11.984 -6.749 1.00 0.00 H new ATOM 0 HB2 LYS A 47 2.746 13.689 -7.314 1.00 0.00 H new ATOM 0 HB3 LYS A 47 1.798 12.906 -8.562 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -0.224 14.191 -7.453 1.00 0.00 H new ATOM 0 HG3 LYS A 47 1.032 15.203 -6.768 1.00 0.00 H new ATOM 0 HD2 LYS A 47 1.093 14.591 -9.721 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -0.045 15.782 -9.122 1.00 0.00 H new ATOM 0 HE2 LYS A 47 1.964 16.878 -7.924 1.00 0.00 H new ATOM 0 HE3 LYS A 47 2.983 15.830 -8.890 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 2.697 17.981 -9.935 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 1.997 16.770 -10.899 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 1.010 17.786 -9.963 1.00 0.00 H new ATOM 653 N VAL A 48 3.442 11.096 -6.309 1.00 0.00 N ATOM 654 CA VAL A 48 4.371 9.978 -6.429 1.00 0.00 C ATOM 655 C VAL A 48 3.738 8.682 -5.935 1.00 0.00 C ATOM 656 O VAL A 48 3.899 7.627 -6.549 1.00 0.00 O ATOM 657 CB VAL A 48 5.666 10.238 -5.638 1.00 0.00 C ATOM 658 CG1 VAL A 48 6.595 9.037 -5.725 1.00 0.00 C ATOM 659 CG2 VAL A 48 6.357 11.495 -6.145 1.00 0.00 C ATOM 0 H VAL A 48 3.833 11.922 -5.857 1.00 0.00 H new ATOM 0 HA VAL A 48 4.614 9.880 -7.487 1.00 0.00 H new ATOM 0 HB VAL A 48 5.407 10.391 -4.590 1.00 0.00 H new ATOM 0 HG11 VAL A 48 7.505 9.239 -5.160 1.00 0.00 H new ATOM 0 HG12 VAL A 48 6.097 8.161 -5.310 1.00 0.00 H new ATOM 0 HG13 VAL A 48 6.850 8.849 -6.768 1.00 0.00 H new ATOM 0 HG21 VAL A 48 7.270 11.663 -5.575 1.00 0.00 H new ATOM 0 HG22 VAL A 48 6.605 11.374 -7.199 1.00 0.00 H new ATOM 0 HG23 VAL A 48 5.691 12.350 -6.025 1.00 0.00 H new ATOM 669 N PHE A 49 3.016 8.769 -4.823 1.00 0.00 N ATOM 670 CA PHE A 49 2.358 7.602 -4.246 1.00 0.00 C ATOM 671 C PHE A 49 1.091 7.253 -5.021 1.00 0.00 C ATOM 672 O PHE A 49 0.811 6.082 -5.281 1.00 0.00 O ATOM 673 CB PHE A 49 2.016 7.858 -2.776 1.00 0.00 C ATOM 674 CG PHE A 49 0.824 7.083 -2.294 1.00 0.00 C ATOM 675 CD1 PHE A 49 -0.461 7.526 -2.561 1.00 0.00 C ATOM 676 CD2 PHE A 49 0.988 5.911 -1.574 1.00 0.00 C ATOM 677 CE1 PHE A 49 -1.561 6.814 -2.119 1.00 0.00 C ATOM 678 CE2 PHE A 49 -0.107 5.195 -1.130 1.00 0.00 C ATOM 679 CZ PHE A 49 -1.383 5.648 -1.402 1.00 0.00 C ATOM 0 H PHE A 49 2.872 9.635 -4.303 1.00 0.00 H new ATOM 0 HA PHE A 49 3.046 6.759 -4.311 1.00 0.00 H new ATOM 0 HB2 PHE A 49 2.879 7.602 -2.161 1.00 0.00 H new ATOM 0 HB3 PHE A 49 1.828 8.922 -2.635 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -0.605 8.438 -3.121 1.00 0.00 H new ATOM 0 HD2 PHE A 49 1.984 5.553 -1.357 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -2.558 7.170 -2.334 1.00 0.00 H new ATOM 0 HE2 PHE A 49 0.035 4.282 -0.571 1.00 0.00 H new ATOM 0 HZ PHE A 49 -2.240 5.091 -1.054 1.00 0.00 H new ATOM 689 N LEU A 50 0.328 8.277 -5.387 1.00 0.00 N ATOM 690 CA LEU A 50 -0.911 8.080 -6.132 1.00 0.00 C ATOM 691 C LEU A 50 -0.626 7.522 -7.522 1.00 0.00 C ATOM 692 O LEU A 50 -1.542 7.115 -8.239 1.00 0.00 O ATOM 693 CB LEU A 50 -1.675 9.400 -6.247 1.00 0.00 C ATOM 694 CG LEU A 50 -2.477 9.821 -5.015 1.00 0.00 C ATOM 695 CD1 LEU A 50 -2.964 11.255 -5.159 1.00 0.00 C ATOM 696 CD2 LEU A 50 -3.650 8.877 -4.794 1.00 0.00 C ATOM 0 H LEU A 50 0.545 9.252 -5.180 1.00 0.00 H new ATOM 0 HA LEU A 50 -1.523 7.359 -5.589 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -0.961 10.191 -6.479 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -2.358 9.329 -7.093 1.00 0.00 H new ATOM 0 HG LEU A 50 -1.824 9.767 -4.144 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -3.533 11.537 -4.273 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -2.108 11.921 -5.268 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -3.601 11.336 -6.040 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -4.209 9.192 -3.913 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -4.304 8.899 -5.666 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -3.278 7.863 -4.644 1.00 0.00 H new ATOM 708 N PHE A 51 0.648 7.502 -7.898 1.00 0.00 N ATOM 709 CA PHE A 51 1.054 6.992 -9.202 1.00 0.00 C ATOM 710 C PHE A 51 1.491 5.533 -9.103 1.00 0.00 C ATOM 711 O PHE A 51 1.135 4.710 -9.947 1.00 0.00 O ATOM 712 CB PHE A 51 2.192 7.840 -9.774 1.00 0.00 C ATOM 713 CG PHE A 51 2.771 7.287 -11.045 1.00 0.00 C ATOM 714 CD1 PHE A 51 3.628 6.199 -11.015 1.00 0.00 C ATOM 715 CD2 PHE A 51 2.459 7.856 -12.269 1.00 0.00 C ATOM 716 CE1 PHE A 51 4.162 5.687 -12.183 1.00 0.00 C ATOM 717 CE2 PHE A 51 2.990 7.349 -13.439 1.00 0.00 C ATOM 718 CZ PHE A 51 3.844 6.264 -13.396 1.00 0.00 C ATOM 0 H PHE A 51 1.418 7.834 -7.317 1.00 0.00 H new ATOM 0 HA PHE A 51 0.195 7.051 -9.871 1.00 0.00 H new ATOM 0 HB2 PHE A 51 1.824 8.849 -9.960 1.00 0.00 H new ATOM 0 HB3 PHE A 51 2.983 7.922 -9.029 1.00 0.00 H new ATOM 0 HD1 PHE A 51 3.882 5.745 -10.068 1.00 0.00 H new ATOM 0 HD2 PHE A 51 1.793 8.705 -12.309 1.00 0.00 H new ATOM 0 HE1 PHE A 51 4.827 4.837 -12.146 1.00 0.00 H new ATOM 0 HE2 PHE A 51 2.738 7.801 -14.387 1.00 0.00 H new ATOM 0 HZ PHE A 51 4.262 5.868 -14.310 1.00 0.00 H new ATOM 728 N ILE A 52 2.264 5.223 -8.069 1.00 0.00 N ATOM 729 CA ILE A 52 2.750 3.864 -7.859 1.00 0.00 C ATOM 730 C ILE A 52 1.592 2.880 -7.735 1.00 0.00 C ATOM 731 O ILE A 52 1.651 1.767 -8.259 1.00 0.00 O ATOM 732 CB ILE A 52 3.628 3.768 -6.597 1.00 0.00 C ATOM 733 CG1 ILE A 52 4.852 4.676 -6.731 1.00 0.00 C ATOM 734 CG2 ILE A 52 4.053 2.328 -6.356 1.00 0.00 C ATOM 735 CD1 ILE A 52 5.351 5.216 -5.410 1.00 0.00 C ATOM 0 H ILE A 52 2.568 5.894 -7.363 1.00 0.00 H new ATOM 0 HA ILE A 52 3.352 3.606 -8.730 1.00 0.00 H new ATOM 0 HB ILE A 52 3.044 4.102 -5.739 1.00 0.00 H new ATOM 0 HG12 ILE A 52 5.656 4.120 -7.214 1.00 0.00 H new ATOM 0 HG13 ILE A 52 4.604 5.512 -7.386 1.00 0.00 H new ATOM 0 HG21 ILE A 52 4.673 2.277 -5.461 1.00 0.00 H new ATOM 0 HG22 ILE A 52 3.169 1.705 -6.221 1.00 0.00 H new ATOM 0 HG23 ILE A 52 4.623 1.969 -7.213 1.00 0.00 H new ATOM 0 HD11 ILE A 52 6.220 5.851 -5.582 1.00 0.00 H new ATOM 0 HD12 ILE A 52 4.563 5.800 -4.935 1.00 0.00 H new ATOM 0 HD13 ILE A 52 5.630 4.387 -4.760 1.00 0.00 H new ATOM 747 N ARG A 53 0.539 3.297 -7.040 1.00 0.00 N ATOM 748 CA ARG A 53 -0.634 2.453 -6.848 1.00 0.00 C ATOM 749 C ARG A 53 -1.226 2.032 -8.190 1.00 0.00 C ATOM 750 O ARG A 53 -1.392 0.844 -8.461 1.00 0.00 O ATOM 751 CB ARG A 53 -1.689 3.189 -6.021 1.00 0.00 C ATOM 752 CG ARG A 53 -3.030 2.476 -5.972 1.00 0.00 C ATOM 753 CD ARG A 53 -4.181 3.463 -5.844 1.00 0.00 C ATOM 754 NE ARG A 53 -4.046 4.311 -4.662 1.00 0.00 N ATOM 755 CZ ARG A 53 -4.584 5.521 -4.561 1.00 0.00 C ATOM 756 NH1 ARG A 53 -5.290 6.022 -5.565 1.00 0.00 N ATOM 757 NH2 ARG A 53 -4.417 6.232 -3.453 1.00 0.00 N ATOM 0 H ARG A 53 0.474 4.215 -6.600 1.00 0.00 H new ATOM 0 HA ARG A 53 -0.322 1.557 -6.311 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -1.317 3.317 -5.004 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -1.832 4.187 -6.436 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -3.159 1.879 -6.875 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -3.046 1.785 -5.129 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -4.223 4.088 -6.736 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -5.123 2.917 -5.793 1.00 0.00 H new ATOM 0 HE ARG A 53 -3.509 3.954 -3.871 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -5.421 5.478 -6.418 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -5.702 6.952 -5.485 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -3.875 5.849 -2.678 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -4.830 7.161 -3.376 1.00 0.00 H new ATOM 771 N ASN A 54 -1.544 3.016 -9.025 1.00 0.00 N ATOM 772 CA ASN A 54 -2.120 2.748 -10.338 1.00 0.00 C ATOM 773 C ASN A 54 -1.303 1.699 -11.086 1.00 0.00 C ATOM 774 O ASN A 54 -1.775 0.589 -11.331 1.00 0.00 O ATOM 775 CB ASN A 54 -2.190 4.037 -11.160 1.00 0.00 C ATOM 776 CG ASN A 54 -3.405 4.876 -10.815 1.00 0.00 C ATOM 777 OD1 ASN A 54 -4.523 4.572 -11.231 1.00 0.00 O ATOM 778 ND2 ASN A 54 -3.191 5.941 -10.050 1.00 0.00 N ATOM 0 H ASN A 54 -1.413 4.006 -8.816 1.00 0.00 H new ATOM 0 HA ASN A 54 -3.129 2.362 -10.193 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -1.287 4.623 -10.990 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -2.213 3.788 -12.221 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -3.970 6.544 -9.785 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -2.248 6.156 -9.727 1.00 0.00 H new ATOM 785 N ARG A 55 -0.075 2.058 -11.445 1.00 0.00 N ATOM 786 CA ARG A 55 0.807 1.149 -12.166 1.00 0.00 C ATOM 787 C ARG A 55 0.735 -0.258 -11.579 1.00 0.00 C ATOM 788 O ARG A 55 0.437 -1.223 -12.284 1.00 0.00 O ATOM 789 CB ARG A 55 2.249 1.658 -12.119 1.00 0.00 C ATOM 790 CG ARG A 55 2.607 2.579 -13.274 1.00 0.00 C ATOM 791 CD ARG A 55 3.116 1.795 -14.474 1.00 0.00 C ATOM 792 NE ARG A 55 4.074 2.563 -15.264 1.00 0.00 N ATOM 793 CZ ARG A 55 4.807 2.041 -16.241 1.00 0.00 C ATOM 794 NH1 ARG A 55 4.691 0.756 -16.547 1.00 0.00 N ATOM 795 NH2 ARG A 55 5.658 2.805 -16.914 1.00 0.00 N ATOM 0 H ARG A 55 0.332 2.972 -11.248 1.00 0.00 H new ATOM 0 HA ARG A 55 0.476 1.110 -13.204 1.00 0.00 H new ATOM 0 HB2 ARG A 55 2.408 2.188 -11.180 1.00 0.00 H new ATOM 0 HB3 ARG A 55 2.927 0.805 -12.122 1.00 0.00 H new ATOM 0 HG2 ARG A 55 1.731 3.160 -13.562 1.00 0.00 H new ATOM 0 HG3 ARG A 55 3.369 3.289 -12.952 1.00 0.00 H new ATOM 0 HD2 ARG A 55 3.585 0.873 -14.132 1.00 0.00 H new ATOM 0 HD3 ARG A 55 2.274 1.509 -15.104 1.00 0.00 H new ATOM 0 HE ARG A 55 4.187 3.555 -15.054 1.00 0.00 H new ATOM 0 HH11 ARG A 55 4.038 0.166 -16.032 1.00 0.00 H new ATOM 0 HH12 ARG A 55 5.255 0.358 -17.298 1.00 0.00 H new ATOM 0 HH21 ARG A 55 5.750 3.794 -16.681 1.00 0.00 H new ATOM 0 HH22 ARG A 55 6.221 2.403 -17.664 1.00 0.00 H new ATOM 809 N THR A 56 1.010 -0.368 -10.283 1.00 0.00 N ATOM 810 CA THR A 56 0.978 -1.656 -9.601 1.00 0.00 C ATOM 811 C THR A 56 -0.215 -2.489 -10.056 1.00 0.00 C ATOM 812 O THR A 56 -0.094 -3.693 -10.283 1.00 0.00 O ATOM 813 CB THR A 56 0.914 -1.481 -8.072 1.00 0.00 C ATOM 814 OG1 THR A 56 2.057 -0.748 -7.615 1.00 0.00 O ATOM 815 CG2 THR A 56 0.859 -2.831 -7.374 1.00 0.00 C ATOM 0 H THR A 56 1.258 0.420 -9.684 1.00 0.00 H new ATOM 0 HA THR A 56 1.901 -2.175 -9.861 1.00 0.00 H new ATOM 0 HB THR A 56 0.007 -0.928 -7.829 1.00 0.00 H new ATOM 0 HG1 THR A 56 1.900 0.212 -7.736 1.00 0.00 H new ATOM 0 HG21 THR A 56 0.814 -2.681 -6.295 1.00 0.00 H new ATOM 0 HG22 THR A 56 -0.027 -3.374 -7.702 1.00 0.00 H new ATOM 0 HG23 THR A 56 1.750 -3.406 -7.624 1.00 0.00 H new ATOM 823 N LEU A 57 -1.367 -1.841 -10.187 1.00 0.00 N ATOM 824 CA LEU A 57 -2.584 -2.522 -10.616 1.00 0.00 C ATOM 825 C LEU A 57 -2.599 -2.708 -12.130 1.00 0.00 C ATOM 826 O LEU A 57 -2.987 -3.763 -12.631 1.00 0.00 O ATOM 827 CB LEU A 57 -3.817 -1.732 -10.176 1.00 0.00 C ATOM 828 CG LEU A 57 -4.289 -1.969 -8.741 1.00 0.00 C ATOM 829 CD1 LEU A 57 -5.349 -0.950 -8.352 1.00 0.00 C ATOM 830 CD2 LEU A 57 -4.825 -3.385 -8.583 1.00 0.00 C ATOM 0 H LEU A 57 -1.484 -0.845 -10.002 1.00 0.00 H new ATOM 0 HA LEU A 57 -2.604 -3.506 -10.147 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -3.605 -0.670 -10.297 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -4.638 -1.972 -10.852 1.00 0.00 H new ATOM 0 HG LEU A 57 -3.436 -1.848 -8.074 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -5.673 -1.135 -7.328 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -4.932 0.055 -8.425 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -6.203 -1.039 -9.024 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -5.156 -3.536 -7.556 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -5.665 -3.534 -9.261 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -4.037 -4.101 -8.819 1.00 0.00 H new ATOM 842 N GLN A 58 -2.172 -1.677 -12.852 1.00 0.00 N ATOM 843 CA GLN A 58 -2.135 -1.728 -14.309 1.00 0.00 C ATOM 844 C GLN A 58 -1.420 -2.986 -14.792 1.00 0.00 C ATOM 845 O GLN A 58 -2.022 -3.847 -15.435 1.00 0.00 O ATOM 846 CB GLN A 58 -1.439 -0.485 -14.867 1.00 0.00 C ATOM 847 CG GLN A 58 -2.369 0.703 -15.047 1.00 0.00 C ATOM 848 CD GLN A 58 -3.340 0.516 -16.196 1.00 0.00 C ATOM 849 OE1 GLN A 58 -4.538 0.320 -15.987 1.00 0.00 O ATOM 850 NE2 GLN A 58 -2.828 0.574 -17.420 1.00 0.00 N ATOM 0 H GLN A 58 -1.847 -0.797 -12.452 1.00 0.00 H new ATOM 0 HA GLN A 58 -3.162 -1.754 -14.672 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -0.627 -0.202 -14.197 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -0.988 -0.732 -15.828 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -2.929 0.864 -14.126 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -1.776 1.601 -15.220 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -1.829 0.738 -17.548 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -3.433 0.454 -18.232 1.00 0.00 H new ATOM 859 N LEU A 59 -0.133 -3.085 -14.479 1.00 0.00 N ATOM 860 CA LEU A 59 0.665 -4.238 -14.881 1.00 0.00 C ATOM 861 C LEU A 59 -0.037 -5.541 -14.513 1.00 0.00 C ATOM 862 O LEU A 59 0.076 -6.540 -15.224 1.00 0.00 O ATOM 863 CB LEU A 59 2.044 -4.184 -14.220 1.00 0.00 C ATOM 864 CG LEU A 59 2.818 -2.876 -14.389 1.00 0.00 C ATOM 865 CD1 LEU A 59 3.852 -2.722 -13.284 1.00 0.00 C ATOM 866 CD2 LEU A 59 3.484 -2.823 -15.756 1.00 0.00 C ATOM 0 H LEU A 59 0.380 -2.381 -13.948 1.00 0.00 H new ATOM 0 HA LEU A 59 0.786 -4.205 -15.964 1.00 0.00 H new ATOM 0 HB2 LEU A 59 1.922 -4.375 -13.154 1.00 0.00 H new ATOM 0 HB3 LEU A 59 2.650 -4.996 -14.622 1.00 0.00 H new ATOM 0 HG LEU A 59 2.114 -2.047 -14.318 1.00 0.00 H new ATOM 0 HD11 LEU A 59 4.393 -1.786 -13.420 1.00 0.00 H new ATOM 0 HD12 LEU A 59 3.351 -2.714 -12.316 1.00 0.00 H new ATOM 0 HD13 LEU A 59 4.553 -3.556 -13.323 1.00 0.00 H new ATOM 0 HD21 LEU A 59 4.030 -1.885 -15.859 1.00 0.00 H new ATOM 0 HD22 LEU A 59 4.176 -3.659 -15.856 1.00 0.00 H new ATOM 0 HD23 LEU A 59 2.723 -2.887 -16.534 1.00 0.00 H new ATOM 878 N TRP A 60 -0.763 -5.523 -13.401 1.00 0.00 N ATOM 879 CA TRP A 60 -1.485 -6.703 -12.941 1.00 0.00 C ATOM 880 C TRP A 60 -2.683 -6.992 -13.838 1.00 0.00 C ATOM 881 O TRP A 60 -3.007 -8.151 -14.104 1.00 0.00 O ATOM 882 CB TRP A 60 -1.949 -6.511 -11.496 1.00 0.00 C ATOM 883 CG TRP A 60 -3.191 -7.280 -11.163 1.00 0.00 C ATOM 884 CD1 TRP A 60 -4.471 -6.804 -11.149 1.00 0.00 C ATOM 885 CD2 TRP A 60 -3.271 -8.662 -10.796 1.00 0.00 C ATOM 886 NE1 TRP A 60 -5.342 -7.806 -10.794 1.00 0.00 N ATOM 887 CE2 TRP A 60 -4.631 -8.956 -10.574 1.00 0.00 C ATOM 888 CE3 TRP A 60 -2.327 -9.680 -10.635 1.00 0.00 C ATOM 889 CZ2 TRP A 60 -5.066 -10.224 -10.198 1.00 0.00 C ATOM 890 CZ3 TRP A 60 -2.761 -10.938 -10.263 1.00 0.00 C ATOM 891 CH2 TRP A 60 -4.120 -11.201 -10.048 1.00 0.00 C ATOM 0 H TRP A 60 -0.867 -4.704 -12.802 1.00 0.00 H new ATOM 0 HA TRP A 60 -0.806 -7.555 -12.987 1.00 0.00 H new ATOM 0 HB2 TRP A 60 -1.149 -6.817 -10.822 1.00 0.00 H new ATOM 0 HB3 TRP A 60 -2.128 -5.451 -11.318 1.00 0.00 H new ATOM 0 HD1 TRP A 60 -4.757 -5.789 -11.383 1.00 0.00 H new ATOM 0 HE1 TRP A 60 -6.354 -7.709 -10.708 1.00 0.00 H new ATOM 0 HE3 TRP A 60 -1.277 -9.487 -10.798 1.00 0.00 H new ATOM 0 HZ2 TRP A 60 -6.113 -10.429 -10.031 1.00 0.00 H new ATOM 0 HZ3 TRP A 60 -2.040 -11.732 -10.136 1.00 0.00 H new ATOM 0 HH2 TRP A 60 -4.427 -12.195 -9.758 1.00 0.00 H new ATOM 902 N LEU A 61 -3.338 -5.934 -14.302 1.00 0.00 N ATOM 903 CA LEU A 61 -4.502 -6.075 -15.171 1.00 0.00 C ATOM 904 C LEU A 61 -4.091 -6.566 -16.556 1.00 0.00 C ATOM 905 O LEU A 61 -4.932 -6.987 -17.351 1.00 0.00 O ATOM 906 CB LEU A 61 -5.240 -4.740 -15.289 1.00 0.00 C ATOM 907 CG LEU A 61 -6.326 -4.480 -14.245 1.00 0.00 C ATOM 908 CD1 LEU A 61 -6.913 -3.088 -14.422 1.00 0.00 C ATOM 909 CD2 LEU A 61 -7.417 -5.537 -14.335 1.00 0.00 C ATOM 0 H LEU A 61 -3.083 -4.969 -14.091 1.00 0.00 H new ATOM 0 HA LEU A 61 -5.169 -6.814 -14.727 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -4.507 -3.936 -15.230 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -5.694 -4.685 -16.278 1.00 0.00 H new ATOM 0 HG LEU A 61 -5.873 -4.538 -13.255 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -7.684 -2.920 -13.670 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -6.125 -2.344 -14.306 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -7.350 -3.001 -15.417 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -8.181 -5.336 -13.584 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -7.867 -5.512 -15.327 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -6.985 -6.522 -14.158 1.00 0.00 H new ATOM 921 N ASP A 62 -2.794 -6.511 -16.837 1.00 0.00 N ATOM 922 CA ASP A 62 -2.271 -6.952 -18.124 1.00 0.00 C ATOM 923 C ASP A 62 -1.788 -8.397 -18.047 1.00 0.00 C ATOM 924 O ASP A 62 -1.942 -9.165 -18.996 1.00 0.00 O ATOM 925 CB ASP A 62 -1.127 -6.042 -18.574 1.00 0.00 C ATOM 926 CG ASP A 62 -0.673 -6.339 -19.989 1.00 0.00 C ATOM 927 OD1 ASP A 62 -1.539 -6.426 -20.884 1.00 0.00 O ATOM 928 OD2 ASP A 62 0.549 -6.486 -20.203 1.00 0.00 O ATOM 0 H ASP A 62 -2.085 -6.165 -16.190 1.00 0.00 H new ATOM 0 HA ASP A 62 -3.078 -6.895 -18.855 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -1.447 -5.002 -18.509 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -0.284 -6.159 -17.893 1.00 0.00 H new ATOM 933 N ASN A 63 -1.201 -8.760 -16.911 1.00 0.00 N ATOM 934 CA ASN A 63 -0.693 -10.113 -16.711 1.00 0.00 C ATOM 935 C ASN A 63 -1.119 -10.658 -15.351 1.00 0.00 C ATOM 936 O ASN A 63 -0.298 -11.099 -14.547 1.00 0.00 O ATOM 937 CB ASN A 63 0.833 -10.129 -16.825 1.00 0.00 C ATOM 938 CG ASN A 63 1.512 -9.654 -15.555 1.00 0.00 C ATOM 939 OD1 ASN A 63 0.971 -8.828 -14.820 1.00 0.00 O ATOM 940 ND2 ASN A 63 2.705 -10.174 -15.292 1.00 0.00 N ATOM 0 H ASN A 63 -1.065 -8.137 -16.115 1.00 0.00 H new ATOM 0 HA ASN A 63 -1.115 -10.752 -17.487 1.00 0.00 H new ATOM 0 HB2 ASN A 63 1.167 -11.141 -17.056 1.00 0.00 H new ATOM 0 HB3 ASN A 63 1.139 -9.495 -17.657 1.00 0.00 H new ATOM 0 HD21 ASN A 63 3.211 -9.891 -14.452 1.00 0.00 H new ATOM 0 HD22 ASN A 63 3.116 -10.856 -15.929 1.00 0.00 H new ATOM 947 N PRO A 64 -2.433 -10.628 -15.087 1.00 0.00 N ATOM 948 CA PRO A 64 -2.999 -11.117 -13.826 1.00 0.00 C ATOM 949 C PRO A 64 -2.907 -12.634 -13.699 1.00 0.00 C ATOM 950 O PRO A 64 -3.394 -13.216 -12.729 1.00 0.00 O ATOM 951 CB PRO A 64 -4.462 -10.673 -13.898 1.00 0.00 C ATOM 952 CG PRO A 64 -4.753 -10.561 -15.355 1.00 0.00 C ATOM 953 CD PRO A 64 -3.469 -10.117 -16.000 1.00 0.00 C ATOM 0 HA PRO A 64 -2.464 -10.727 -12.960 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -5.120 -11.397 -13.418 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -4.612 -9.720 -13.390 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -5.084 -11.517 -15.762 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -5.551 -9.842 -15.540 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -3.360 -10.530 -17.003 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -3.421 -9.032 -16.095 1.00 0.00 H new ATOM 961 N LYS A 65 -2.280 -13.269 -14.683 1.00 0.00 N ATOM 962 CA LYS A 65 -2.123 -14.718 -14.681 1.00 0.00 C ATOM 963 C LYS A 65 -0.973 -15.139 -13.772 1.00 0.00 C ATOM 964 O LYS A 65 -0.829 -16.318 -13.444 1.00 0.00 O ATOM 965 CB LYS A 65 -1.875 -15.227 -16.103 1.00 0.00 C ATOM 966 CG LYS A 65 -0.760 -14.492 -16.826 1.00 0.00 C ATOM 967 CD LYS A 65 -0.039 -15.400 -17.808 1.00 0.00 C ATOM 968 CE LYS A 65 -0.930 -15.770 -18.984 1.00 0.00 C ATOM 969 NZ LYS A 65 -0.960 -14.697 -20.016 1.00 0.00 N ATOM 0 H LYS A 65 -1.872 -12.802 -15.493 1.00 0.00 H new ATOM 0 HA LYS A 65 -3.045 -15.158 -14.300 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -1.632 -16.289 -16.063 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -2.795 -15.132 -16.680 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -1.173 -13.635 -17.358 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -0.048 -14.103 -16.098 1.00 0.00 H new ATOM 0 HD2 LYS A 65 0.859 -14.902 -18.173 1.00 0.00 H new ATOM 0 HD3 LYS A 65 0.285 -16.306 -17.296 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -0.572 -16.696 -19.433 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -1.942 -15.959 -18.627 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -1.578 -14.987 -20.801 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -1.325 -13.820 -19.594 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 0.002 -14.534 -20.375 1.00 0.00 H new ATOM 983 N ILE A 66 -0.160 -14.170 -13.366 1.00 0.00 N ATOM 984 CA ILE A 66 0.975 -14.441 -12.492 1.00 0.00 C ATOM 985 C ILE A 66 1.012 -13.465 -11.321 1.00 0.00 C ATOM 986 O ILE A 66 0.607 -12.310 -11.451 1.00 0.00 O ATOM 987 CB ILE A 66 2.308 -14.358 -13.259 1.00 0.00 C ATOM 988 CG1 ILE A 66 2.700 -12.896 -13.486 1.00 0.00 C ATOM 989 CG2 ILE A 66 2.204 -15.097 -14.584 1.00 0.00 C ATOM 990 CD1 ILE A 66 4.091 -12.725 -14.055 1.00 0.00 C ATOM 0 H ILE A 66 -0.266 -13.190 -13.628 1.00 0.00 H new ATOM 0 HA ILE A 66 0.847 -15.455 -12.112 1.00 0.00 H new ATOM 0 HB ILE A 66 3.085 -14.834 -12.661 1.00 0.00 H new ATOM 0 HG12 ILE A 66 1.980 -12.436 -14.163 1.00 0.00 H new ATOM 0 HG13 ILE A 66 2.635 -12.360 -12.539 1.00 0.00 H new ATOM 0 HG21 ILE A 66 3.154 -15.029 -15.114 1.00 0.00 H new ATOM 0 HG22 ILE A 66 1.966 -16.144 -14.399 1.00 0.00 H new ATOM 0 HG23 ILE A 66 1.417 -14.648 -15.190 1.00 0.00 H new ATOM 0 HD11 ILE A 66 4.301 -11.664 -14.190 1.00 0.00 H new ATOM 0 HD12 ILE A 66 4.820 -13.155 -13.368 1.00 0.00 H new ATOM 0 HD13 ILE A 66 4.155 -13.233 -15.017 1.00 0.00 H new ATOM 1002 N GLN A 67 1.503 -13.937 -10.180 1.00 0.00 N ATOM 1003 CA GLN A 67 1.595 -13.105 -8.986 1.00 0.00 C ATOM 1004 C GLN A 67 2.559 -11.944 -9.205 1.00 0.00 C ATOM 1005 O GLN A 67 3.687 -12.136 -9.660 1.00 0.00 O ATOM 1006 CB GLN A 67 2.049 -13.942 -7.789 1.00 0.00 C ATOM 1007 CG GLN A 67 3.532 -14.277 -7.809 1.00 0.00 C ATOM 1008 CD GLN A 67 3.953 -14.985 -9.082 1.00 0.00 C ATOM 1009 OE1 GLN A 67 3.545 -16.118 -9.340 1.00 0.00 O ATOM 1010 NE2 GLN A 67 4.774 -14.320 -9.886 1.00 0.00 N ATOM 0 H GLN A 67 1.843 -14.891 -10.057 1.00 0.00 H new ATOM 0 HA GLN A 67 0.605 -12.698 -8.780 1.00 0.00 H new ATOM 0 HB2 GLN A 67 1.819 -13.402 -6.870 1.00 0.00 H new ATOM 0 HB3 GLN A 67 1.476 -14.869 -7.766 1.00 0.00 H new ATOM 0 HG2 GLN A 67 4.110 -13.359 -7.700 1.00 0.00 H new ATOM 0 HG3 GLN A 67 3.770 -14.907 -6.952 1.00 0.00 H new ATOM 0 HE21 GLN A 67 5.087 -13.383 -9.633 1.00 0.00 H new ATOM 0 HE22 GLN A 67 5.091 -14.746 -10.757 1.00 0.00 H new ATOM 1019 N LEU A 68 2.107 -10.737 -8.879 1.00 0.00 N ATOM 1020 CA LEU A 68 2.930 -9.543 -9.040 1.00 0.00 C ATOM 1021 C LEU A 68 3.805 -9.315 -7.811 1.00 0.00 C ATOM 1022 O LEU A 68 3.355 -8.761 -6.808 1.00 0.00 O ATOM 1023 CB LEU A 68 2.045 -8.320 -9.284 1.00 0.00 C ATOM 1024 CG LEU A 68 2.755 -7.072 -9.808 1.00 0.00 C ATOM 1025 CD1 LEU A 68 3.363 -7.338 -11.177 1.00 0.00 C ATOM 1026 CD2 LEU A 68 1.792 -5.896 -9.871 1.00 0.00 C ATOM 0 H LEU A 68 1.176 -10.560 -8.502 1.00 0.00 H new ATOM 0 HA LEU A 68 3.579 -9.692 -9.903 1.00 0.00 H new ATOM 0 HB2 LEU A 68 1.266 -8.596 -9.995 1.00 0.00 H new ATOM 0 HB3 LEU A 68 1.547 -8.065 -8.349 1.00 0.00 H new ATOM 0 HG LEU A 68 3.560 -6.820 -9.118 1.00 0.00 H new ATOM 0 HD11 LEU A 68 3.864 -6.438 -11.534 1.00 0.00 H new ATOM 0 HD12 LEU A 68 4.086 -8.150 -11.102 1.00 0.00 H new ATOM 0 HD13 LEU A 68 2.575 -7.616 -11.877 1.00 0.00 H new ATOM 0 HD21 LEU A 68 2.316 -5.017 -10.246 1.00 0.00 H new ATOM 0 HD22 LEU A 68 0.965 -6.138 -10.538 1.00 0.00 H new ATOM 0 HD23 LEU A 68 1.404 -5.689 -8.873 1.00 0.00 H new ATOM 1038 N THR A 69 5.060 -9.745 -7.897 1.00 0.00 N ATOM 1039 CA THR A 69 5.999 -9.587 -6.794 1.00 0.00 C ATOM 1040 C THR A 69 6.418 -8.130 -6.633 1.00 0.00 C ATOM 1041 O THR A 69 6.200 -7.309 -7.523 1.00 0.00 O ATOM 1042 CB THR A 69 7.257 -10.452 -6.999 1.00 0.00 C ATOM 1043 OG1 THR A 69 8.018 -9.955 -8.105 1.00 0.00 O ATOM 1044 CG2 THR A 69 6.881 -11.904 -7.247 1.00 0.00 C ATOM 0 H THR A 69 5.449 -10.206 -8.720 1.00 0.00 H new ATOM 0 HA THR A 69 5.484 -9.916 -5.891 1.00 0.00 H new ATOM 0 HB THR A 69 7.859 -10.400 -6.092 1.00 0.00 H new ATOM 0 HG1 THR A 69 8.817 -10.509 -8.228 1.00 0.00 H new ATOM 0 HG21 THR A 69 7.786 -12.495 -7.389 1.00 0.00 H new ATOM 0 HG22 THR A 69 6.327 -12.288 -6.390 1.00 0.00 H new ATOM 0 HG23 THR A 69 6.260 -11.972 -8.140 1.00 0.00 H new ATOM 1052 N PHE A 70 7.022 -7.816 -5.492 1.00 0.00 N ATOM 1053 CA PHE A 70 7.472 -6.457 -5.214 1.00 0.00 C ATOM 1054 C PHE A 70 8.562 -6.034 -6.194 1.00 0.00 C ATOM 1055 O PHE A 70 8.564 -4.906 -6.686 1.00 0.00 O ATOM 1056 CB PHE A 70 7.993 -6.352 -3.779 1.00 0.00 C ATOM 1057 CG PHE A 70 8.862 -5.150 -3.542 1.00 0.00 C ATOM 1058 CD1 PHE A 70 8.298 -3.911 -3.287 1.00 0.00 C ATOM 1059 CD2 PHE A 70 10.243 -5.260 -3.575 1.00 0.00 C ATOM 1060 CE1 PHE A 70 9.096 -2.803 -3.070 1.00 0.00 C ATOM 1061 CE2 PHE A 70 11.045 -4.156 -3.359 1.00 0.00 C ATOM 1062 CZ PHE A 70 10.471 -2.926 -3.104 1.00 0.00 C ATOM 0 H PHE A 70 7.211 -8.484 -4.745 1.00 0.00 H new ATOM 0 HA PHE A 70 6.620 -5.788 -5.334 1.00 0.00 H new ATOM 0 HB2 PHE A 70 7.145 -6.318 -3.095 1.00 0.00 H new ATOM 0 HB3 PHE A 70 8.559 -7.252 -3.540 1.00 0.00 H new ATOM 0 HD1 PHE A 70 7.223 -3.809 -3.257 1.00 0.00 H new ATOM 0 HD2 PHE A 70 10.698 -6.220 -3.772 1.00 0.00 H new ATOM 0 HE1 PHE A 70 8.644 -1.842 -2.874 1.00 0.00 H new ATOM 0 HE2 PHE A 70 12.120 -4.255 -3.390 1.00 0.00 H new ATOM 0 HZ PHE A 70 11.096 -2.062 -2.932 1.00 0.00 H new ATOM 1072 N GLU A 71 9.487 -6.947 -6.473 1.00 0.00 N ATOM 1073 CA GLU A 71 10.583 -6.668 -7.393 1.00 0.00 C ATOM 1074 C GLU A 71 10.051 -6.250 -8.761 1.00 0.00 C ATOM 1075 O GLU A 71 10.306 -5.138 -9.224 1.00 0.00 O ATOM 1076 CB GLU A 71 11.482 -7.897 -7.537 1.00 0.00 C ATOM 1077 CG GLU A 71 12.449 -8.083 -6.380 1.00 0.00 C ATOM 1078 CD GLU A 71 11.796 -8.723 -5.170 1.00 0.00 C ATOM 1079 OE1 GLU A 71 10.870 -9.539 -5.358 1.00 0.00 O ATOM 1080 OE2 GLU A 71 12.211 -8.407 -4.036 1.00 0.00 O ATOM 0 H GLU A 71 9.499 -7.886 -6.075 1.00 0.00 H new ATOM 0 HA GLU A 71 11.168 -5.845 -6.983 1.00 0.00 H new ATOM 0 HB2 GLU A 71 10.857 -8.786 -7.623 1.00 0.00 H new ATOM 0 HB3 GLU A 71 12.049 -7.815 -8.464 1.00 0.00 H new ATOM 0 HG2 GLU A 71 13.285 -8.701 -6.706 1.00 0.00 H new ATOM 0 HG3 GLU A 71 12.860 -7.114 -6.096 1.00 0.00 H new ATOM 1087 N ALA A 72 9.313 -7.149 -9.402 1.00 0.00 N ATOM 1088 CA ALA A 72 8.744 -6.874 -10.716 1.00 0.00 C ATOM 1089 C ALA A 72 8.132 -5.479 -10.768 1.00 0.00 C ATOM 1090 O ALA A 72 8.528 -4.644 -11.583 1.00 0.00 O ATOM 1091 CB ALA A 72 7.702 -7.924 -11.070 1.00 0.00 C ATOM 0 H ALA A 72 9.095 -8.075 -9.033 1.00 0.00 H new ATOM 0 HA ALA A 72 9.549 -6.916 -11.449 1.00 0.00 H new ATOM 0 HB1 ALA A 72 7.286 -7.706 -12.053 1.00 0.00 H new ATOM 0 HB2 ALA A 72 8.168 -8.909 -11.083 1.00 0.00 H new ATOM 0 HB3 ALA A 72 6.904 -7.910 -10.327 1.00 0.00 H new ATOM 1097 N THR A 73 7.162 -5.230 -9.893 1.00 0.00 N ATOM 1098 CA THR A 73 6.493 -3.936 -9.840 1.00 0.00 C ATOM 1099 C THR A 73 7.504 -2.795 -9.816 1.00 0.00 C ATOM 1100 O THR A 73 7.327 -1.781 -10.491 1.00 0.00 O ATOM 1101 CB THR A 73 5.581 -3.826 -8.604 1.00 0.00 C ATOM 1102 OG1 THR A 73 4.650 -4.914 -8.583 1.00 0.00 O ATOM 1103 CG2 THR A 73 4.825 -2.505 -8.606 1.00 0.00 C ATOM 0 H THR A 73 6.822 -5.908 -9.211 1.00 0.00 H new ATOM 0 HA THR A 73 5.883 -3.858 -10.740 1.00 0.00 H new ATOM 0 HB THR A 73 6.207 -3.868 -7.713 1.00 0.00 H new ATOM 0 HG1 THR A 73 5.092 -5.716 -8.234 1.00 0.00 H new ATOM 0 HG21 THR A 73 4.187 -2.449 -7.724 1.00 0.00 H new ATOM 0 HG22 THR A 73 5.536 -1.679 -8.592 1.00 0.00 H new ATOM 0 HG23 THR A 73 4.210 -2.439 -9.503 1.00 0.00 H new ATOM 1111 N LEU A 74 8.565 -2.968 -9.034 1.00 0.00 N ATOM 1112 CA LEU A 74 9.606 -1.952 -8.922 1.00 0.00 C ATOM 1113 C LEU A 74 10.329 -1.765 -10.252 1.00 0.00 C ATOM 1114 O LEU A 74 10.382 -0.660 -10.790 1.00 0.00 O ATOM 1115 CB LEU A 74 10.608 -2.338 -7.833 1.00 0.00 C ATOM 1116 CG LEU A 74 11.972 -1.651 -7.902 1.00 0.00 C ATOM 1117 CD1 LEU A 74 11.905 -0.268 -7.273 1.00 0.00 C ATOM 1118 CD2 LEU A 74 13.032 -2.500 -7.216 1.00 0.00 C ATOM 0 H LEU A 74 8.727 -3.802 -8.469 1.00 0.00 H new ATOM 0 HA LEU A 74 9.131 -1.009 -8.652 1.00 0.00 H new ATOM 0 HB2 LEU A 74 10.162 -2.119 -6.863 1.00 0.00 H new ATOM 0 HB3 LEU A 74 10.764 -3.416 -7.876 1.00 0.00 H new ATOM 0 HG LEU A 74 12.248 -1.538 -8.950 1.00 0.00 H new ATOM 0 HD11 LEU A 74 12.885 0.206 -7.331 1.00 0.00 H new ATOM 0 HD12 LEU A 74 11.175 0.340 -7.808 1.00 0.00 H new ATOM 0 HD13 LEU A 74 11.607 -0.357 -6.228 1.00 0.00 H new ATOM 0 HD21 LEU A 74 13.996 -1.995 -7.275 1.00 0.00 H new ATOM 0 HD22 LEU A 74 12.761 -2.645 -6.170 1.00 0.00 H new ATOM 0 HD23 LEU A 74 13.099 -3.469 -7.711 1.00 0.00 H new ATOM 1130 N GLN A 75 10.883 -2.854 -10.777 1.00 0.00 N ATOM 1131 CA GLN A 75 11.602 -2.809 -12.044 1.00 0.00 C ATOM 1132 C GLN A 75 10.782 -2.089 -13.110 1.00 0.00 C ATOM 1133 O GLN A 75 11.253 -1.136 -13.729 1.00 0.00 O ATOM 1134 CB GLN A 75 11.939 -4.225 -12.514 1.00 0.00 C ATOM 1135 CG GLN A 75 12.913 -4.953 -11.601 1.00 0.00 C ATOM 1136 CD GLN A 75 13.656 -6.068 -12.310 1.00 0.00 C ATOM 1137 OE1 GLN A 75 13.238 -7.226 -12.279 1.00 0.00 O ATOM 1138 NE2 GLN A 75 14.765 -5.724 -12.954 1.00 0.00 N ATOM 0 H GLN A 75 10.847 -3.777 -10.344 1.00 0.00 H new ATOM 0 HA GLN A 75 12.528 -2.255 -11.888 1.00 0.00 H new ATOM 0 HB2 GLN A 75 11.018 -4.804 -12.585 1.00 0.00 H new ATOM 0 HB3 GLN A 75 12.362 -4.175 -13.517 1.00 0.00 H new ATOM 0 HG2 GLN A 75 13.633 -4.239 -11.201 1.00 0.00 H new ATOM 0 HG3 GLN A 75 12.369 -5.367 -10.752 1.00 0.00 H new ATOM 0 HE21 GLN A 75 15.074 -4.752 -12.953 1.00 0.00 H new ATOM 0 HE22 GLN A 75 15.307 -6.432 -13.449 1.00 0.00 H new ATOM 1147 N GLN A 76 9.554 -2.553 -13.319 1.00 0.00 N ATOM 1148 CA GLN A 76 8.670 -1.954 -14.311 1.00 0.00 C ATOM 1149 C GLN A 76 8.437 -0.477 -14.011 1.00 0.00 C ATOM 1150 O GLN A 76 8.288 0.337 -14.924 1.00 0.00 O ATOM 1151 CB GLN A 76 7.333 -2.696 -14.348 1.00 0.00 C ATOM 1152 CG GLN A 76 7.462 -4.165 -14.717 1.00 0.00 C ATOM 1153 CD GLN A 76 6.281 -4.991 -14.245 1.00 0.00 C ATOM 1154 OE1 GLN A 76 5.519 -5.524 -15.052 1.00 0.00 O ATOM 1155 NE2 GLN A 76 6.124 -5.102 -12.931 1.00 0.00 N ATOM 0 H GLN A 76 9.149 -3.342 -12.815 1.00 0.00 H new ATOM 0 HA GLN A 76 9.150 -2.037 -15.286 1.00 0.00 H new ATOM 0 HB2 GLN A 76 6.855 -2.616 -13.371 1.00 0.00 H new ATOM 0 HB3 GLN A 76 6.675 -2.206 -15.066 1.00 0.00 H new ATOM 0 HG2 GLN A 76 7.556 -4.257 -15.799 1.00 0.00 H new ATOM 0 HG3 GLN A 76 8.378 -4.566 -14.283 1.00 0.00 H new ATOM 0 HE21 GLN A 76 6.780 -4.643 -12.298 1.00 0.00 H new ATOM 0 HE22 GLN A 76 5.348 -5.646 -12.554 1.00 0.00 H new ATOM 1164 N LEU A 77 8.407 -0.136 -12.728 1.00 0.00 N ATOM 1165 CA LEU A 77 8.192 1.244 -12.307 1.00 0.00 C ATOM 1166 C LEU A 77 9.358 2.131 -12.733 1.00 0.00 C ATOM 1167 O LEU A 77 10.468 1.648 -12.956 1.00 0.00 O ATOM 1168 CB LEU A 77 8.012 1.313 -10.789 1.00 0.00 C ATOM 1169 CG LEU A 77 6.572 1.240 -10.280 1.00 0.00 C ATOM 1170 CD1 LEU A 77 6.532 0.673 -8.870 1.00 0.00 C ATOM 1171 CD2 LEU A 77 5.922 2.615 -10.322 1.00 0.00 C ATOM 0 H LEU A 77 8.529 -0.796 -11.960 1.00 0.00 H new ATOM 0 HA LEU A 77 7.286 1.609 -12.791 1.00 0.00 H new ATOM 0 HB2 LEU A 77 8.577 0.497 -10.339 1.00 0.00 H new ATOM 0 HB3 LEU A 77 8.456 2.243 -10.432 1.00 0.00 H new ATOM 0 HG LEU A 77 6.009 0.573 -10.933 1.00 0.00 H new ATOM 0 HD11 LEU A 77 5.499 0.629 -8.525 1.00 0.00 H new ATOM 0 HD12 LEU A 77 6.958 -0.330 -8.869 1.00 0.00 H new ATOM 0 HD13 LEU A 77 7.110 1.313 -8.204 1.00 0.00 H new ATOM 0 HD21 LEU A 77 4.898 2.545 -9.956 1.00 0.00 H new ATOM 0 HD22 LEU A 77 6.486 3.303 -9.692 1.00 0.00 H new ATOM 0 HD23 LEU A 77 5.917 2.984 -11.348 1.00 0.00 H new ATOM 1183 N GLU A 78 9.098 3.430 -12.841 1.00 0.00 N ATOM 1184 CA GLU A 78 10.127 4.384 -13.239 1.00 0.00 C ATOM 1185 C GLU A 78 10.232 5.522 -12.228 1.00 0.00 C ATOM 1186 O GLU A 78 9.261 6.235 -11.976 1.00 0.00 O ATOM 1187 CB GLU A 78 9.822 4.947 -14.628 1.00 0.00 C ATOM 1188 CG GLU A 78 8.493 5.679 -14.710 1.00 0.00 C ATOM 1189 CD GLU A 78 8.203 6.208 -16.101 1.00 0.00 C ATOM 1190 OE1 GLU A 78 9.117 6.798 -16.715 1.00 0.00 O ATOM 1191 OE2 GLU A 78 7.061 6.033 -16.576 1.00 0.00 O ATOM 0 H GLU A 78 8.185 3.846 -12.659 1.00 0.00 H new ATOM 0 HA GLU A 78 11.082 3.859 -13.270 1.00 0.00 H new ATOM 0 HB2 GLU A 78 10.621 5.629 -14.918 1.00 0.00 H new ATOM 0 HB3 GLU A 78 9.822 4.130 -15.350 1.00 0.00 H new ATOM 0 HG2 GLU A 78 7.692 5.005 -14.408 1.00 0.00 H new ATOM 0 HG3 GLU A 78 8.495 6.509 -14.003 1.00 0.00 H new ATOM 1198 N ALA A 79 11.419 5.687 -11.653 1.00 0.00 N ATOM 1199 CA ALA A 79 11.653 6.739 -10.672 1.00 0.00 C ATOM 1200 C ALA A 79 11.074 8.068 -11.144 1.00 0.00 C ATOM 1201 O ALA A 79 10.748 8.250 -12.317 1.00 0.00 O ATOM 1202 CB ALA A 79 13.142 6.879 -10.393 1.00 0.00 C ATOM 0 H ALA A 79 12.233 5.105 -11.850 1.00 0.00 H new ATOM 0 HA ALA A 79 11.146 6.459 -9.748 1.00 0.00 H new ATOM 0 HB1 ALA A 79 13.302 7.668 -9.659 1.00 0.00 H new ATOM 0 HB2 ALA A 79 13.529 5.937 -10.004 1.00 0.00 H new ATOM 0 HB3 ALA A 79 13.663 7.132 -11.316 1.00 0.00 H new ATOM 1208 N PRO A 80 10.942 9.022 -10.210 1.00 0.00 N ATOM 1209 CA PRO A 80 11.326 8.818 -8.810 1.00 0.00 C ATOM 1210 C PRO A 80 10.398 7.846 -8.090 1.00 0.00 C ATOM 1211 O PRO A 80 10.614 7.514 -6.924 1.00 0.00 O ATOM 1212 CB PRO A 80 11.211 10.218 -8.202 1.00 0.00 C ATOM 1213 CG PRO A 80 10.218 10.923 -9.061 1.00 0.00 C ATOM 1214 CD PRO A 80 10.406 10.373 -10.448 1.00 0.00 C ATOM 0 HA PRO A 80 12.320 8.380 -8.720 1.00 0.00 H new ATOM 0 HB2 PRO A 80 10.877 10.173 -7.165 1.00 0.00 H new ATOM 0 HB3 PRO A 80 12.173 10.731 -8.205 1.00 0.00 H new ATOM 0 HG2 PRO A 80 9.202 10.749 -8.707 1.00 0.00 H new ATOM 0 HG3 PRO A 80 10.382 12.000 -9.043 1.00 0.00 H new ATOM 0 HD2 PRO A 80 9.466 10.341 -10.998 1.00 0.00 H new ATOM 0 HD3 PRO A 80 11.096 10.982 -11.032 1.00 0.00 H new ATOM 1222 N TYR A 81 9.364 7.393 -8.791 1.00 0.00 N ATOM 1223 CA TYR A 81 8.401 6.461 -8.217 1.00 0.00 C ATOM 1224 C TYR A 81 9.110 5.275 -7.569 1.00 0.00 C ATOM 1225 O TYR A 81 8.949 5.018 -6.377 1.00 0.00 O ATOM 1226 CB TYR A 81 7.435 5.965 -9.295 1.00 0.00 C ATOM 1227 CG TYR A 81 6.875 7.070 -10.161 1.00 0.00 C ATOM 1228 CD1 TYR A 81 6.485 8.283 -9.607 1.00 0.00 C ATOM 1229 CD2 TYR A 81 6.735 6.902 -11.533 1.00 0.00 C ATOM 1230 CE1 TYR A 81 5.972 9.296 -10.394 1.00 0.00 C ATOM 1231 CE2 TYR A 81 6.225 7.909 -12.328 1.00 0.00 C ATOM 1232 CZ TYR A 81 5.844 9.105 -11.754 1.00 0.00 C ATOM 1233 OH TYR A 81 5.334 10.110 -12.542 1.00 0.00 O ATOM 0 H TYR A 81 9.172 7.656 -9.757 1.00 0.00 H new ATOM 0 HA TYR A 81 7.837 6.989 -7.448 1.00 0.00 H new ATOM 0 HB2 TYR A 81 7.951 5.244 -9.929 1.00 0.00 H new ATOM 0 HB3 TYR A 81 6.610 5.436 -8.817 1.00 0.00 H new ATOM 0 HD1 TYR A 81 6.585 8.437 -8.543 1.00 0.00 H new ATOM 0 HD2 TYR A 81 7.030 5.967 -11.986 1.00 0.00 H new ATOM 0 HE1 TYR A 81 5.673 10.232 -9.947 1.00 0.00 H new ATOM 0 HE2 TYR A 81 6.125 7.762 -13.393 1.00 0.00 H new ATOM 0 HH TYR A 81 5.311 9.814 -13.476 1.00 0.00 H new ATOM 1243 N ASN A 82 9.896 4.557 -8.365 1.00 0.00 N ATOM 1244 CA ASN A 82 10.631 3.399 -7.870 1.00 0.00 C ATOM 1245 C ASN A 82 11.766 3.828 -6.946 1.00 0.00 C ATOM 1246 O ASN A 82 12.104 3.126 -5.993 1.00 0.00 O ATOM 1247 CB ASN A 82 11.191 2.587 -9.040 1.00 0.00 C ATOM 1248 CG ASN A 82 12.531 3.111 -9.519 1.00 0.00 C ATOM 1249 OD1 ASN A 82 13.488 3.195 -8.748 1.00 0.00 O ATOM 1250 ND2 ASN A 82 12.606 3.466 -10.796 1.00 0.00 N ATOM 0 H ASN A 82 10.040 4.757 -9.355 1.00 0.00 H new ATOM 0 HA ASN A 82 9.939 2.777 -7.302 1.00 0.00 H new ATOM 0 HB2 ASN A 82 11.299 1.545 -8.737 1.00 0.00 H new ATOM 0 HB3 ASN A 82 10.480 2.607 -9.866 1.00 0.00 H new ATOM 0 HD21 ASN A 82 13.482 3.825 -11.175 1.00 0.00 H new ATOM 0 HD22 ASN A 82 11.787 3.379 -11.398 1.00 0.00 H new ATOM 1257 N SER A 83 12.350 4.987 -7.233 1.00 0.00 N ATOM 1258 CA SER A 83 13.449 5.510 -6.430 1.00 0.00 C ATOM 1259 C SER A 83 13.250 5.176 -4.955 1.00 0.00 C ATOM 1260 O SER A 83 14.152 4.658 -4.297 1.00 0.00 O ATOM 1261 CB SER A 83 13.566 7.024 -6.611 1.00 0.00 C ATOM 1262 OG SER A 83 14.726 7.526 -5.971 1.00 0.00 O ATOM 0 H SER A 83 12.080 5.582 -8.016 1.00 0.00 H new ATOM 0 HA SER A 83 14.371 5.039 -6.770 1.00 0.00 H new ATOM 0 HB2 SER A 83 13.600 7.265 -7.674 1.00 0.00 H new ATOM 0 HB3 SER A 83 12.681 7.512 -6.202 1.00 0.00 H new ATOM 0 HG SER A 83 14.779 8.496 -6.103 1.00 0.00 H new ATOM 1268 N ASP A 84 12.062 5.477 -4.442 1.00 0.00 N ATOM 1269 CA ASP A 84 11.742 5.208 -3.045 1.00 0.00 C ATOM 1270 C ASP A 84 11.114 3.827 -2.886 1.00 0.00 C ATOM 1271 O ASP A 84 9.891 3.689 -2.846 1.00 0.00 O ATOM 1272 CB ASP A 84 10.793 6.278 -2.502 1.00 0.00 C ATOM 1273 CG ASP A 84 11.084 7.653 -3.071 1.00 0.00 C ATOM 1274 OD1 ASP A 84 12.276 7.988 -3.231 1.00 0.00 O ATOM 1275 OD2 ASP A 84 10.120 8.394 -3.356 1.00 0.00 O ATOM 0 H ASP A 84 11.305 5.907 -4.973 1.00 0.00 H new ATOM 0 HA ASP A 84 12.671 5.233 -2.475 1.00 0.00 H new ATOM 0 HB2 ASP A 84 9.765 6.001 -2.737 1.00 0.00 H new ATOM 0 HB3 ASP A 84 10.873 6.313 -1.416 1.00 0.00 H new ATOM 1280 N THR A 85 11.960 2.805 -2.798 1.00 0.00 N ATOM 1281 CA THR A 85 11.489 1.434 -2.647 1.00 0.00 C ATOM 1282 C THR A 85 10.525 1.310 -1.472 1.00 0.00 C ATOM 1283 O THR A 85 9.459 0.707 -1.592 1.00 0.00 O ATOM 1284 CB THR A 85 12.661 0.457 -2.439 1.00 0.00 C ATOM 1285 OG1 THR A 85 13.484 0.901 -1.354 1.00 0.00 O ATOM 1286 CG2 THR A 85 13.500 0.342 -3.703 1.00 0.00 C ATOM 0 H THR A 85 12.975 2.901 -2.829 1.00 0.00 H new ATOM 0 HA THR A 85 10.969 1.175 -3.569 1.00 0.00 H new ATOM 0 HB THR A 85 12.249 -0.524 -2.204 1.00 0.00 H new ATOM 0 HG1 THR A 85 14.226 0.273 -1.228 1.00 0.00 H new ATOM 0 HG21 THR A 85 14.322 -0.353 -3.532 1.00 0.00 H new ATOM 0 HG22 THR A 85 12.879 -0.024 -4.520 1.00 0.00 H new ATOM 0 HG23 THR A 85 13.902 1.321 -3.964 1.00 0.00 H new ATOM 1294 N VAL A 86 10.907 1.886 -0.336 1.00 0.00 N ATOM 1295 CA VAL A 86 10.075 1.841 0.861 1.00 0.00 C ATOM 1296 C VAL A 86 8.611 2.098 0.522 1.00 0.00 C ATOM 1297 O VAL A 86 7.715 1.448 1.061 1.00 0.00 O ATOM 1298 CB VAL A 86 10.539 2.875 1.905 1.00 0.00 C ATOM 1299 CG1 VAL A 86 10.085 4.272 1.511 1.00 0.00 C ATOM 1300 CG2 VAL A 86 10.018 2.506 3.286 1.00 0.00 C ATOM 0 H VAL A 86 11.787 2.389 -0.220 1.00 0.00 H new ATOM 0 HA VAL A 86 10.177 0.840 1.281 1.00 0.00 H new ATOM 0 HB VAL A 86 11.628 2.869 1.938 1.00 0.00 H new ATOM 0 HG11 VAL A 86 10.422 4.989 2.260 1.00 0.00 H new ATOM 0 HG12 VAL A 86 10.510 4.533 0.542 1.00 0.00 H new ATOM 0 HG13 VAL A 86 8.997 4.297 1.448 1.00 0.00 H new ATOM 0 HG21 VAL A 86 10.355 3.246 4.012 1.00 0.00 H new ATOM 0 HG22 VAL A 86 8.928 2.483 3.270 1.00 0.00 H new ATOM 0 HG23 VAL A 86 10.397 1.524 3.567 1.00 0.00 H new ATOM 1310 N LEU A 87 8.375 3.050 -0.374 1.00 0.00 N ATOM 1311 CA LEU A 87 7.019 3.393 -0.786 1.00 0.00 C ATOM 1312 C LEU A 87 6.424 2.299 -1.667 1.00 0.00 C ATOM 1313 O LEU A 87 5.271 1.905 -1.492 1.00 0.00 O ATOM 1314 CB LEU A 87 7.014 4.726 -1.536 1.00 0.00 C ATOM 1315 CG LEU A 87 5.679 5.469 -1.577 1.00 0.00 C ATOM 1316 CD1 LEU A 87 5.217 5.815 -0.169 1.00 0.00 C ATOM 1317 CD2 LEU A 87 5.793 6.727 -2.426 1.00 0.00 C ATOM 0 H LEU A 87 9.105 3.598 -0.829 1.00 0.00 H new ATOM 0 HA LEU A 87 6.406 3.485 0.111 1.00 0.00 H new ATOM 0 HB2 LEU A 87 7.757 5.380 -1.079 1.00 0.00 H new ATOM 0 HB3 LEU A 87 7.337 4.544 -2.561 1.00 0.00 H new ATOM 0 HG LEU A 87 4.936 4.814 -2.032 1.00 0.00 H new ATOM 0 HD11 LEU A 87 4.265 6.344 -0.218 1.00 0.00 H new ATOM 0 HD12 LEU A 87 5.094 4.899 0.409 1.00 0.00 H new ATOM 0 HD13 LEU A 87 5.961 6.451 0.312 1.00 0.00 H new ATOM 0 HD21 LEU A 87 4.833 7.243 -2.443 1.00 0.00 H new ATOM 0 HD22 LEU A 87 6.551 7.385 -2.001 1.00 0.00 H new ATOM 0 HD23 LEU A 87 6.077 6.455 -3.443 1.00 0.00 H new ATOM 1329 N VAL A 88 7.219 1.811 -2.614 1.00 0.00 N ATOM 1330 CA VAL A 88 6.773 0.760 -3.520 1.00 0.00 C ATOM 1331 C VAL A 88 6.454 -0.523 -2.760 1.00 0.00 C ATOM 1332 O VAL A 88 5.628 -1.326 -3.195 1.00 0.00 O ATOM 1333 CB VAL A 88 7.835 0.457 -4.594 1.00 0.00 C ATOM 1334 CG1 VAL A 88 7.405 -0.724 -5.452 1.00 0.00 C ATOM 1335 CG2 VAL A 88 8.089 1.686 -5.453 1.00 0.00 C ATOM 0 H VAL A 88 8.176 2.127 -2.773 1.00 0.00 H new ATOM 0 HA VAL A 88 5.868 1.125 -4.007 1.00 0.00 H new ATOM 0 HB VAL A 88 8.767 0.192 -4.094 1.00 0.00 H new ATOM 0 HG11 VAL A 88 8.167 -0.923 -6.205 1.00 0.00 H new ATOM 0 HG12 VAL A 88 7.278 -1.604 -4.822 1.00 0.00 H new ATOM 0 HG13 VAL A 88 6.461 -0.491 -5.944 1.00 0.00 H new ATOM 0 HG21 VAL A 88 8.842 1.454 -6.206 1.00 0.00 H new ATOM 0 HG22 VAL A 88 7.163 1.984 -5.945 1.00 0.00 H new ATOM 0 HG23 VAL A 88 8.444 2.502 -4.824 1.00 0.00 H new ATOM 1345 N HIS A 89 7.114 -0.709 -1.622 1.00 0.00 N ATOM 1346 CA HIS A 89 6.900 -1.894 -0.799 1.00 0.00 C ATOM 1347 C HIS A 89 5.633 -1.753 0.039 1.00 0.00 C ATOM 1348 O HIS A 89 4.929 -2.731 0.287 1.00 0.00 O ATOM 1349 CB HIS A 89 8.104 -2.133 0.112 1.00 0.00 C ATOM 1350 CG HIS A 89 7.936 -3.301 1.034 1.00 0.00 C ATOM 1351 ND1 HIS A 89 8.728 -4.429 0.972 1.00 0.00 N ATOM 1352 CD2 HIS A 89 7.061 -3.512 2.045 1.00 0.00 C ATOM 1353 CE1 HIS A 89 8.346 -5.283 1.904 1.00 0.00 C ATOM 1354 NE2 HIS A 89 7.337 -4.751 2.570 1.00 0.00 N ATOM 0 H HIS A 89 7.801 -0.055 -1.248 1.00 0.00 H new ATOM 0 HA HIS A 89 6.781 -2.750 -1.463 1.00 0.00 H new ATOM 0 HB2 HIS A 89 8.989 -2.291 -0.504 1.00 0.00 H new ATOM 0 HB3 HIS A 89 8.284 -1.236 0.705 1.00 0.00 H new ATOM 0 HD2 HIS A 89 6.290 -2.833 2.377 1.00 0.00 H new ATOM 0 HE1 HIS A 89 8.784 -6.252 2.090 1.00 0.00 H new ATOM 0 HE2 HIS A 89 6.843 -5.189 3.348 1.00 0.00 H new ATOM 1363 N ARG A 90 5.350 -0.529 0.473 1.00 0.00 N ATOM 1364 CA ARG A 90 4.170 -0.260 1.285 1.00 0.00 C ATOM 1365 C ARG A 90 2.915 -0.205 0.418 1.00 0.00 C ATOM 1366 O ARG A 90 1.865 -0.728 0.793 1.00 0.00 O ATOM 1367 CB ARG A 90 4.336 1.058 2.044 1.00 0.00 C ATOM 1368 CG ARG A 90 5.404 1.008 3.125 1.00 0.00 C ATOM 1369 CD ARG A 90 5.989 2.385 3.394 1.00 0.00 C ATOM 1370 NE ARG A 90 6.683 2.443 4.677 1.00 0.00 N ATOM 1371 CZ ARG A 90 6.060 2.459 5.850 1.00 0.00 C ATOM 1372 NH1 ARG A 90 4.736 2.421 5.902 1.00 0.00 N ATOM 1373 NH2 ARG A 90 6.762 2.513 6.975 1.00 0.00 N ATOM 0 H ARG A 90 5.922 0.292 0.276 1.00 0.00 H new ATOM 0 HA ARG A 90 4.061 -1.073 2.003 1.00 0.00 H new ATOM 0 HB2 ARG A 90 4.586 1.847 1.335 1.00 0.00 H new ATOM 0 HB3 ARG A 90 3.383 1.328 2.499 1.00 0.00 H new ATOM 0 HG2 ARG A 90 4.975 0.608 4.044 1.00 0.00 H new ATOM 0 HG3 ARG A 90 6.199 0.327 2.821 1.00 0.00 H new ATOM 0 HD2 ARG A 90 6.682 2.647 2.595 1.00 0.00 H new ATOM 0 HD3 ARG A 90 5.191 3.127 3.380 1.00 0.00 H new ATOM 0 HE ARG A 90 7.703 2.473 4.672 1.00 0.00 H new ATOM 0 HH11 ARG A 90 4.193 2.379 5.040 1.00 0.00 H new ATOM 0 HH12 ARG A 90 4.260 2.433 6.804 1.00 0.00 H new ATOM 0 HH21 ARG A 90 7.781 2.542 6.939 1.00 0.00 H new ATOM 0 HH22 ARG A 90 6.283 2.525 7.875 1.00 0.00 H new ATOM 1387 N VAL A 91 3.031 0.432 -0.743 1.00 0.00 N ATOM 1388 CA VAL A 91 1.907 0.555 -1.663 1.00 0.00 C ATOM 1389 C VAL A 91 1.469 -0.811 -2.181 1.00 0.00 C ATOM 1390 O VAL A 91 0.316 -1.210 -2.013 1.00 0.00 O ATOM 1391 CB VAL A 91 2.259 1.457 -2.861 1.00 0.00 C ATOM 1392 CG1 VAL A 91 1.110 1.494 -3.857 1.00 0.00 C ATOM 1393 CG2 VAL A 91 2.609 2.859 -2.387 1.00 0.00 C ATOM 0 H VAL A 91 3.892 0.871 -1.069 1.00 0.00 H new ATOM 0 HA VAL A 91 1.088 1.008 -1.104 1.00 0.00 H new ATOM 0 HB VAL A 91 3.131 1.040 -3.364 1.00 0.00 H new ATOM 0 HG11 VAL A 91 1.377 2.136 -4.696 1.00 0.00 H new ATOM 0 HG12 VAL A 91 0.911 0.486 -4.220 1.00 0.00 H new ATOM 0 HG13 VAL A 91 0.218 1.887 -3.369 1.00 0.00 H new ATOM 0 HG21 VAL A 91 2.855 3.483 -3.246 1.00 0.00 H new ATOM 0 HG22 VAL A 91 1.757 3.288 -1.859 1.00 0.00 H new ATOM 0 HG23 VAL A 91 3.466 2.813 -1.715 1.00 0.00 H new ATOM 1403 N HIS A 92 2.396 -1.524 -2.811 1.00 0.00 N ATOM 1404 CA HIS A 92 2.106 -2.847 -3.353 1.00 0.00 C ATOM 1405 C HIS A 92 1.477 -3.743 -2.290 1.00 0.00 C ATOM 1406 O HIS A 92 0.739 -4.676 -2.609 1.00 0.00 O ATOM 1407 CB HIS A 92 3.384 -3.493 -3.890 1.00 0.00 C ATOM 1408 CG HIS A 92 3.140 -4.760 -4.650 1.00 0.00 C ATOM 1409 ND1 HIS A 92 2.776 -5.944 -4.043 1.00 0.00 N ATOM 1410 CD2 HIS A 92 3.209 -5.025 -5.976 1.00 0.00 C ATOM 1411 CE1 HIS A 92 2.633 -6.882 -4.962 1.00 0.00 C ATOM 1412 NE2 HIS A 92 2.889 -6.350 -6.143 1.00 0.00 N ATOM 0 H HIS A 92 3.355 -1.208 -2.959 1.00 0.00 H new ATOM 0 HA HIS A 92 1.396 -2.730 -4.171 1.00 0.00 H new ATOM 0 HB2 HIS A 92 3.896 -2.782 -4.539 1.00 0.00 H new ATOM 0 HB3 HIS A 92 4.054 -3.702 -3.056 1.00 0.00 H new ATOM 0 HD2 HIS A 92 3.467 -4.325 -6.757 1.00 0.00 H new ATOM 0 HE1 HIS A 92 2.354 -7.909 -4.779 1.00 0.00 H new ATOM 0 HE2 HIS A 92 2.855 -6.843 -7.035 1.00 0.00 H new ATOM 1421 N SER A 93 1.774 -3.454 -1.027 1.00 0.00 N ATOM 1422 CA SER A 93 1.242 -4.237 0.082 1.00 0.00 C ATOM 1423 C SER A 93 -0.244 -3.953 0.283 1.00 0.00 C ATOM 1424 O SER A 93 -1.080 -4.849 0.163 1.00 0.00 O ATOM 1425 CB SER A 93 2.010 -3.927 1.368 1.00 0.00 C ATOM 1426 OG SER A 93 3.230 -4.648 1.419 1.00 0.00 O ATOM 0 H SER A 93 2.380 -2.683 -0.746 1.00 0.00 H new ATOM 0 HA SER A 93 1.364 -5.293 -0.160 1.00 0.00 H new ATOM 0 HB2 SER A 93 2.213 -2.858 1.425 1.00 0.00 H new ATOM 0 HB3 SER A 93 1.397 -4.182 2.232 1.00 0.00 H new ATOM 0 HG SER A 93 3.947 -4.105 1.031 1.00 0.00 H new ATOM 1432 N TYR A 94 -0.564 -2.701 0.589 1.00 0.00 N ATOM 1433 CA TYR A 94 -1.948 -2.297 0.809 1.00 0.00 C ATOM 1434 C TYR A 94 -2.870 -2.926 -0.230 1.00 0.00 C ATOM 1435 O TYR A 94 -3.994 -3.326 0.079 1.00 0.00 O ATOM 1436 CB TYR A 94 -2.071 -0.774 0.761 1.00 0.00 C ATOM 1437 CG TYR A 94 -3.428 -0.290 0.303 1.00 0.00 C ATOM 1438 CD1 TYR A 94 -3.726 -0.174 -1.049 1.00 0.00 C ATOM 1439 CD2 TYR A 94 -4.412 0.051 1.223 1.00 0.00 C ATOM 1440 CE1 TYR A 94 -4.965 0.269 -1.471 1.00 0.00 C ATOM 1441 CE2 TYR A 94 -5.654 0.493 0.810 1.00 0.00 C ATOM 1442 CZ TYR A 94 -5.925 0.600 -0.539 1.00 0.00 C ATOM 1443 OH TYR A 94 -7.161 1.040 -0.956 1.00 0.00 O ATOM 0 H TYR A 94 0.116 -1.948 0.690 1.00 0.00 H new ATOM 0 HA TYR A 94 -2.250 -2.648 1.796 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -1.866 -0.370 1.752 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -1.308 -0.377 0.091 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -2.977 -0.434 -1.782 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -4.202 -0.031 2.279 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -5.180 0.355 -2.526 1.00 0.00 H new ATOM 0 HE2 TYR A 94 -6.408 0.753 1.538 1.00 0.00 H new ATOM 0 HH TYR A 94 -7.721 1.230 -0.175 1.00 0.00 H new ATOM 1453 N LEU A 95 -2.388 -3.011 -1.465 1.00 0.00 N ATOM 1454 CA LEU A 95 -3.168 -3.592 -2.553 1.00 0.00 C ATOM 1455 C LEU A 95 -3.297 -5.103 -2.384 1.00 0.00 C ATOM 1456 O LEU A 95 -4.396 -5.623 -2.192 1.00 0.00 O ATOM 1457 CB LEU A 95 -2.518 -3.272 -3.900 1.00 0.00 C ATOM 1458 CG LEU A 95 -2.543 -1.804 -4.325 1.00 0.00 C ATOM 1459 CD1 LEU A 95 -1.629 -1.578 -5.519 1.00 0.00 C ATOM 1460 CD2 LEU A 95 -3.964 -1.366 -4.650 1.00 0.00 C ATOM 0 H LEU A 95 -1.461 -2.685 -1.738 1.00 0.00 H new ATOM 0 HA LEU A 95 -4.166 -3.155 -2.525 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -1.480 -3.602 -3.867 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -3.016 -3.861 -4.670 1.00 0.00 H new ATOM 0 HG LEU A 95 -2.179 -1.200 -3.494 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -1.660 -0.527 -5.807 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -0.608 -1.851 -5.253 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -1.963 -2.193 -6.354 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -3.962 -0.318 -4.951 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -4.356 -1.976 -5.464 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -4.593 -1.489 -3.769 1.00 0.00 H new ATOM 1472 N GLU A 96 -2.168 -5.800 -2.454 1.00 0.00 N ATOM 1473 CA GLU A 96 -2.156 -7.250 -2.308 1.00 0.00 C ATOM 1474 C GLU A 96 -2.816 -7.670 -0.998 1.00 0.00 C ATOM 1475 O GLU A 96 -3.795 -8.416 -0.995 1.00 0.00 O ATOM 1476 CB GLU A 96 -0.721 -7.779 -2.361 1.00 0.00 C ATOM 1477 CG GLU A 96 -0.616 -9.280 -2.147 1.00 0.00 C ATOM 1478 CD GLU A 96 0.795 -9.799 -2.338 1.00 0.00 C ATOM 1479 OE1 GLU A 96 1.749 -9.042 -2.063 1.00 0.00 O ATOM 1480 OE2 GLU A 96 0.945 -10.964 -2.764 1.00 0.00 O ATOM 0 H GLU A 96 -1.250 -5.384 -2.611 1.00 0.00 H new ATOM 0 HA GLU A 96 -2.724 -7.677 -3.135 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -0.286 -7.527 -3.328 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -0.127 -7.270 -1.602 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -0.956 -9.524 -1.141 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -1.284 -9.790 -2.841 1.00 0.00 H new ATOM 1487 N ARG A 97 -2.272 -7.186 0.114 1.00 0.00 N ATOM 1488 CA ARG A 97 -2.806 -7.512 1.431 1.00 0.00 C ATOM 1489 C ARG A 97 -4.330 -7.454 1.429 1.00 0.00 C ATOM 1490 O ARG A 97 -4.998 -8.370 1.910 1.00 0.00 O ATOM 1491 CB ARG A 97 -2.249 -6.551 2.483 1.00 0.00 C ATOM 1492 CG ARG A 97 -0.843 -6.898 2.943 1.00 0.00 C ATOM 1493 CD ARG A 97 -0.860 -7.945 4.046 1.00 0.00 C ATOM 1494 NE ARG A 97 0.459 -8.131 4.645 1.00 0.00 N ATOM 1495 CZ ARG A 97 1.009 -7.269 5.492 1.00 0.00 C ATOM 1496 NH1 ARG A 97 0.359 -6.167 5.838 1.00 0.00 N ATOM 1497 NH2 ARG A 97 2.214 -7.508 5.995 1.00 0.00 N ATOM 0 H ARG A 97 -1.462 -6.567 0.129 1.00 0.00 H new ATOM 0 HA ARG A 97 -2.499 -8.528 1.679 1.00 0.00 H new ATOM 0 HB2 ARG A 97 -2.249 -5.540 2.075 1.00 0.00 H new ATOM 0 HB3 ARG A 97 -2.914 -6.547 3.347 1.00 0.00 H new ATOM 0 HG2 ARG A 97 -0.263 -7.268 2.097 1.00 0.00 H new ATOM 0 HG3 ARG A 97 -0.344 -5.998 3.302 1.00 0.00 H new ATOM 0 HD2 ARG A 97 -1.570 -7.647 4.818 1.00 0.00 H new ATOM 0 HD3 ARG A 97 -1.211 -8.894 3.640 1.00 0.00 H new ATOM 0 HE ARG A 97 0.986 -8.969 4.399 1.00 0.00 H new ATOM 0 HH11 ARG A 97 -0.567 -5.979 5.453 1.00 0.00 H new ATOM 0 HH12 ARG A 97 0.785 -5.507 6.489 1.00 0.00 H new ATOM 0 HH21 ARG A 97 2.718 -8.354 5.731 1.00 0.00 H new ATOM 0 HH22 ARG A 97 2.636 -6.845 6.646 1.00 0.00 H new ATOM 1511 N HIS A 98 -4.875 -6.370 0.885 1.00 0.00 N ATOM 1512 CA HIS A 98 -6.322 -6.192 0.820 1.00 0.00 C ATOM 1513 C HIS A 98 -6.961 -7.258 -0.065 1.00 0.00 C ATOM 1514 O HIS A 98 -7.986 -7.839 0.288 1.00 0.00 O ATOM 1515 CB HIS A 98 -6.662 -4.800 0.289 1.00 0.00 C ATOM 1516 CG HIS A 98 -6.448 -3.707 1.291 1.00 0.00 C ATOM 1517 ND1 HIS A 98 -7.304 -2.636 1.431 1.00 0.00 N ATOM 1518 CD2 HIS A 98 -5.468 -3.526 2.207 1.00 0.00 C ATOM 1519 CE1 HIS A 98 -6.860 -1.842 2.388 1.00 0.00 C ATOM 1520 NE2 HIS A 98 -5.747 -2.359 2.876 1.00 0.00 N ATOM 0 H HIS A 98 -4.337 -5.602 0.483 1.00 0.00 H new ATOM 0 HA HIS A 98 -6.722 -6.295 1.829 1.00 0.00 H new ATOM 0 HB2 HIS A 98 -6.053 -4.598 -0.592 1.00 0.00 H new ATOM 0 HB3 HIS A 98 -7.703 -4.787 -0.033 1.00 0.00 H new ATOM 0 HD2 HIS A 98 -4.624 -4.178 2.380 1.00 0.00 H new ATOM 0 HE1 HIS A 98 -7.328 -0.925 2.716 1.00 0.00 H new ATOM 0 HE2 HIS A 98 -5.186 -1.957 3.627 1.00 0.00 H new ATOM 1529 N GLY A 99 -6.349 -7.508 -1.219 1.00 0.00 N ATOM 1530 CA GLY A 99 -6.873 -8.502 -2.137 1.00 0.00 C ATOM 1531 C GLY A 99 -7.265 -7.906 -3.474 1.00 0.00 C ATOM 1532 O GLY A 99 -8.229 -8.348 -4.100 1.00 0.00 O ATOM 0 H GLY A 99 -5.500 -7.040 -1.534 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -6.124 -9.278 -2.294 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -7.742 -8.984 -1.689 1.00 0.00 H new ATOM 1536 N LEU A 100 -6.518 -6.899 -3.914 1.00 0.00 N ATOM 1537 CA LEU A 100 -6.794 -6.240 -5.185 1.00 0.00 C ATOM 1538 C LEU A 100 -5.859 -6.751 -6.277 1.00 0.00 C ATOM 1539 O LEU A 100 -6.077 -6.498 -7.463 1.00 0.00 O ATOM 1540 CB LEU A 100 -6.646 -4.724 -5.039 1.00 0.00 C ATOM 1541 CG LEU A 100 -7.267 -4.107 -3.786 1.00 0.00 C ATOM 1542 CD1 LEU A 100 -7.715 -2.680 -4.059 1.00 0.00 C ATOM 1543 CD2 LEU A 100 -8.436 -4.951 -3.299 1.00 0.00 C ATOM 0 H LEU A 100 -5.716 -6.521 -3.409 1.00 0.00 H new ATOM 0 HA LEU A 100 -7.820 -6.473 -5.472 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -5.584 -4.480 -5.052 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -7.093 -4.250 -5.913 1.00 0.00 H new ATOM 0 HG LEU A 100 -6.510 -4.084 -3.002 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -8.154 -2.257 -3.155 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -6.856 -2.080 -4.359 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -8.456 -2.678 -4.858 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -8.866 -4.497 -2.406 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -9.195 -5.006 -4.079 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -8.086 -5.956 -3.062 1.00 0.00 H new ATOM 1555 N ILE A 101 -4.819 -7.471 -5.870 1.00 0.00 N ATOM 1556 CA ILE A 101 -3.854 -8.020 -6.814 1.00 0.00 C ATOM 1557 C ILE A 101 -3.396 -9.410 -6.386 1.00 0.00 C ATOM 1558 O ILE A 101 -3.258 -9.690 -5.196 1.00 0.00 O ATOM 1559 CB ILE A 101 -2.622 -7.106 -6.954 1.00 0.00 C ATOM 1560 CG1 ILE A 101 -1.934 -6.929 -5.599 1.00 0.00 C ATOM 1561 CG2 ILE A 101 -3.026 -5.757 -7.529 1.00 0.00 C ATOM 1562 CD1 ILE A 101 -0.481 -6.524 -5.707 1.00 0.00 C ATOM 0 H ILE A 101 -4.623 -7.688 -4.893 1.00 0.00 H new ATOM 0 HA ILE A 101 -4.358 -8.087 -7.778 1.00 0.00 H new ATOM 0 HB ILE A 101 -1.916 -7.575 -7.640 1.00 0.00 H new ATOM 0 HG12 ILE A 101 -2.471 -6.175 -5.024 1.00 0.00 H new ATOM 0 HG13 ILE A 101 -2.002 -7.863 -5.042 1.00 0.00 H new ATOM 0 HG21 ILE A 101 -2.145 -5.122 -7.622 1.00 0.00 H new ATOM 0 HG22 ILE A 101 -3.475 -5.900 -8.512 1.00 0.00 H new ATOM 0 HG23 ILE A 101 -3.748 -5.280 -6.866 1.00 0.00 H new ATOM 0 HD11 ILE A 101 -0.058 -6.417 -4.708 1.00 0.00 H new ATOM 0 HD12 ILE A 101 0.070 -7.289 -6.254 1.00 0.00 H new ATOM 0 HD13 ILE A 101 -0.406 -5.574 -6.236 1.00 0.00 H new ATOM 1574 N ASN A 102 -3.160 -10.277 -7.365 1.00 0.00 N ATOM 1575 CA ASN A 102 -2.716 -11.638 -7.090 1.00 0.00 C ATOM 1576 C ASN A 102 -3.796 -12.425 -6.354 1.00 0.00 C ATOM 1577 O ASN A 102 -3.552 -12.983 -5.284 1.00 0.00 O ATOM 1578 CB ASN A 102 -1.429 -11.620 -6.263 1.00 0.00 C ATOM 1579 CG ASN A 102 -0.367 -10.720 -6.865 1.00 0.00 C ATOM 1580 OD1 ASN A 102 -0.652 -9.908 -7.745 1.00 0.00 O ATOM 1581 ND2 ASN A 102 0.866 -10.861 -6.391 1.00 0.00 N ATOM 0 H ASN A 102 -3.269 -10.061 -8.356 1.00 0.00 H new ATOM 0 HA ASN A 102 -2.520 -12.129 -8.043 1.00 0.00 H new ATOM 0 HB2 ASN A 102 -1.655 -11.284 -5.251 1.00 0.00 H new ATOM 0 HB3 ASN A 102 -1.038 -12.634 -6.182 1.00 0.00 H new ATOM 0 HD21 ASN A 102 1.622 -10.283 -6.757 1.00 0.00 H new ATOM 0 HD22 ASN A 102 1.056 -11.547 -5.661 1.00 0.00 H new ATOM 1588 N PHE A 103 -4.990 -12.465 -6.935 1.00 0.00 N ATOM 1589 CA PHE A 103 -6.109 -13.183 -6.335 1.00 0.00 C ATOM 1590 C PHE A 103 -6.628 -14.267 -7.275 1.00 0.00 C ATOM 1591 O PHE A 103 -7.761 -14.726 -7.146 1.00 0.00 O ATOM 1592 CB PHE A 103 -7.238 -12.211 -5.986 1.00 0.00 C ATOM 1593 CG PHE A 103 -7.587 -11.271 -7.105 1.00 0.00 C ATOM 1594 CD1 PHE A 103 -8.004 -11.760 -8.332 1.00 0.00 C ATOM 1595 CD2 PHE A 103 -7.496 -9.900 -6.929 1.00 0.00 C ATOM 1596 CE1 PHE A 103 -8.326 -10.898 -9.364 1.00 0.00 C ATOM 1597 CE2 PHE A 103 -7.817 -9.033 -7.957 1.00 0.00 C ATOM 1598 CZ PHE A 103 -8.231 -9.533 -9.176 1.00 0.00 C ATOM 0 H PHE A 103 -5.208 -12.009 -7.821 1.00 0.00 H new ATOM 0 HA PHE A 103 -5.754 -13.660 -5.421 1.00 0.00 H new ATOM 0 HB2 PHE A 103 -8.125 -12.781 -5.711 1.00 0.00 H new ATOM 0 HB3 PHE A 103 -6.949 -11.630 -5.111 1.00 0.00 H new ATOM 0 HD1 PHE A 103 -8.078 -12.827 -8.484 1.00 0.00 H new ATOM 0 HD2 PHE A 103 -7.171 -9.504 -5.978 1.00 0.00 H new ATOM 0 HE1 PHE A 103 -8.651 -11.291 -10.316 1.00 0.00 H new ATOM 0 HE2 PHE A 103 -7.744 -7.966 -7.807 1.00 0.00 H new ATOM 0 HZ PHE A 103 -8.480 -8.858 -9.981 1.00 0.00 H new ATOM 1608 N GLY A 104 -5.788 -14.671 -8.223 1.00 0.00 N ATOM 1609 CA GLY A 104 -6.178 -15.697 -9.173 1.00 0.00 C ATOM 1610 C GLY A 104 -5.030 -16.132 -10.061 1.00 0.00 C ATOM 1611 O GLY A 104 -5.167 -16.183 -11.284 1.00 0.00 O ATOM 0 H GLY A 104 -4.844 -14.306 -8.350 1.00 0.00 H new ATOM 0 HA2 GLY A 104 -6.562 -16.562 -8.632 1.00 0.00 H new ATOM 0 HA3 GLY A 104 -6.992 -15.322 -9.794 1.00 0.00 H new ATOM 1615 N ILE A 105 -3.895 -16.446 -9.447 1.00 0.00 N ATOM 1616 CA ILE A 105 -2.718 -16.878 -10.190 1.00 0.00 C ATOM 1617 C ILE A 105 -2.159 -18.180 -9.627 1.00 0.00 C ATOM 1618 O ILE A 105 -1.701 -19.046 -10.373 1.00 0.00 O ATOM 1619 CB ILE A 105 -1.613 -15.806 -10.169 1.00 0.00 C ATOM 1620 CG1 ILE A 105 -1.093 -15.607 -8.743 1.00 0.00 C ATOM 1621 CG2 ILE A 105 -2.135 -14.495 -10.736 1.00 0.00 C ATOM 1622 CD1 ILE A 105 -2.119 -15.012 -7.804 1.00 0.00 C ATOM 0 H ILE A 105 -3.765 -16.409 -8.436 1.00 0.00 H new ATOM 0 HA ILE A 105 -3.037 -17.038 -11.220 1.00 0.00 H new ATOM 0 HB ILE A 105 -0.787 -16.145 -10.794 1.00 0.00 H new ATOM 0 HG12 ILE A 105 -0.764 -16.568 -8.347 1.00 0.00 H new ATOM 0 HG13 ILE A 105 -0.218 -14.958 -8.771 1.00 0.00 H new ATOM 0 HG21 ILE A 105 -1.342 -13.748 -10.714 1.00 0.00 H new ATOM 0 HG22 ILE A 105 -2.461 -14.648 -11.765 1.00 0.00 H new ATOM 0 HG23 ILE A 105 -2.977 -14.149 -10.136 1.00 0.00 H new ATOM 0 HD11 ILE A 105 -1.682 -14.899 -6.812 1.00 0.00 H new ATOM 0 HD12 ILE A 105 -2.430 -14.036 -8.177 1.00 0.00 H new ATOM 0 HD13 ILE A 105 -2.985 -15.671 -7.746 1.00 0.00 H new