USER MOD reduce.3.24.130724 H: found=0, std=0, add=388, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 381 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 22 THR OG1 : rot 145:sc= 1.49 USER MOD Set 1.2: A 24 CYS SG : rot -168:sc= 2.69 USER MOD Set 1.3: A 26 HIS : no HE2:sc= 0.447 K(o=5.5,f=-4.5!) USER MOD Set 1.4: A 44 CYS SG : rot 124:sc= 0.882 USER MOD Set 2.1: A 9 CYS SG : rot -166:sc= -0.541! USER MOD Set 2.2: A 12 CYS SG : rot -76:sc= -1.63! USER MOD Set 2.3: A 14 MET CE :methyl 138:sc= -0.725 (180deg=-1.74!) USER MOD Set 2.4: A 29 CYS SG : rot 136:sc= -4.49! USER MOD Set 2.5: A 32 CYS SG : rot -162:sc= -1.37! USER MOD Single : A 21 GLN : amide:sc= -1.24 K(o=-1.2,f=-0.016) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 LYS NZ :NH3+ -170:sc=-0.00968 (180deg=-0.153) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 42 HIS : no HD1:sc= -0.0416 K(o=-0.042,f=-5.9!) USER MOD Single : A 43 LYS NZ :NH3+ -144:sc= -0.166 (180deg=-1.56!) USER MOD Single : A 48 ASN : amide:sc= 0 K(o=0,f=-0.87) USER MOD Single : A 54 ASN : amide:sc= -0.538 K(o=-0.54,f=-0.0012) USER MOD Single : A 55 GLN : amide:sc= -0.196 X(o=-0.2,f=-0.4) USER MOD ----------------------------------------------------------------- ATOM 104 N GLU A 8 14.128 -18.791 -16.271 1.00 0.00 N ATOM 105 CA GLU A 8 13.059 -19.568 -16.811 1.00 0.00 C ATOM 106 C GLU A 8 11.877 -18.629 -16.994 1.00 0.00 C ATOM 107 O GLU A 8 11.476 -17.959 -16.044 1.00 0.00 O ATOM 108 CB GLU A 8 12.691 -20.684 -15.839 1.00 0.00 C ATOM 109 CG GLU A 8 11.629 -21.633 -16.354 1.00 0.00 C ATOM 110 CD GLU A 8 11.288 -22.695 -15.342 1.00 0.00 C ATOM 111 OE1 GLU A 8 10.465 -22.422 -14.439 1.00 0.00 O ATOM 112 OE2 GLU A 8 11.840 -23.813 -15.424 1.00 0.00 O ATOM 0 HA GLU A 8 13.345 -20.023 -17.759 1.00 0.00 H new ATOM 0 HB2 GLU A 8 13.589 -21.255 -15.603 1.00 0.00 H new ATOM 0 HB3 GLU A 8 12.343 -20.238 -14.907 1.00 0.00 H new ATOM 0 HG2 GLU A 8 10.730 -21.070 -16.607 1.00 0.00 H new ATOM 0 HG3 GLU A 8 11.978 -22.105 -17.272 1.00 0.00 H new ATOM 119 N CYS A 9 11.357 -18.575 -18.203 1.00 0.00 N ATOM 120 CA CYS A 9 10.276 -17.677 -18.577 1.00 0.00 C ATOM 121 C CYS A 9 9.022 -17.937 -17.736 1.00 0.00 C ATOM 122 O CYS A 9 8.440 -19.012 -17.808 1.00 0.00 O ATOM 123 CB CYS A 9 9.987 -17.903 -20.061 1.00 0.00 C ATOM 124 SG CYS A 9 8.634 -16.942 -20.813 1.00 0.00 S ATOM 0 H CYS A 9 11.678 -19.165 -18.971 1.00 0.00 H new ATOM 0 HA CYS A 9 10.568 -16.643 -18.395 1.00 0.00 H new ATOM 0 HB2 CYS A 9 10.900 -17.690 -20.617 1.00 0.00 H new ATOM 0 HB3 CYS A 9 9.767 -18.961 -20.203 1.00 0.00 H new ATOM 0 HG CYS A 9 8.334 -17.449 -21.972 1.00 0.00 H new ATOM 129 N PRO A 10 8.601 -16.956 -16.916 1.00 0.00 N ATOM 130 CA PRO A 10 7.400 -17.080 -16.073 1.00 0.00 C ATOM 131 C PRO A 10 6.119 -17.259 -16.891 1.00 0.00 C ATOM 132 O PRO A 10 5.089 -17.708 -16.366 1.00 0.00 O ATOM 133 CB PRO A 10 7.347 -15.740 -15.330 1.00 0.00 C ATOM 134 CG PRO A 10 8.737 -15.214 -15.387 1.00 0.00 C ATOM 135 CD PRO A 10 9.281 -15.666 -16.708 1.00 0.00 C ATOM 0 HA PRO A 10 7.458 -17.955 -15.426 1.00 0.00 H new ATOM 0 HB2 PRO A 10 6.645 -15.053 -15.804 1.00 0.00 H new ATOM 0 HB3 PRO A 10 7.017 -15.873 -14.300 1.00 0.00 H new ATOM 0 HG2 PRO A 10 8.749 -14.127 -15.309 1.00 0.00 H new ATOM 0 HG3 PRO A 10 9.337 -15.600 -14.563 1.00 0.00 H new ATOM 0 HD2 PRO A 10 9.054 -14.956 -17.503 1.00 0.00 H new ATOM 0 HD3 PRO A 10 10.365 -15.779 -16.682 1.00 0.00 H new ATOM 143 N ILE A 11 6.164 -16.876 -18.162 1.00 0.00 N ATOM 144 CA ILE A 11 5.030 -17.070 -19.047 1.00 0.00 C ATOM 145 C ILE A 11 4.774 -18.558 -19.319 1.00 0.00 C ATOM 146 O ILE A 11 3.635 -19.022 -19.264 1.00 0.00 O ATOM 147 CB ILE A 11 5.177 -16.284 -20.375 1.00 0.00 C ATOM 148 CG1 ILE A 11 5.123 -14.781 -20.092 1.00 0.00 C ATOM 149 CG2 ILE A 11 4.078 -16.672 -21.361 1.00 0.00 C ATOM 150 CD1 ILE A 11 5.445 -13.915 -21.289 1.00 0.00 C ATOM 0 H ILE A 11 6.972 -16.431 -18.598 1.00 0.00 H new ATOM 0 HA ILE A 11 4.161 -16.667 -18.527 1.00 0.00 H new ATOM 0 HB ILE A 11 6.139 -16.534 -20.823 1.00 0.00 H new ATOM 0 HG12 ILE A 11 4.127 -14.526 -19.730 1.00 0.00 H new ATOM 0 HG13 ILE A 11 5.823 -14.548 -19.290 1.00 0.00 H new ATOM 0 HG21 ILE A 11 4.202 -16.107 -22.285 1.00 0.00 H new ATOM 0 HG22 ILE A 11 4.142 -17.739 -21.576 1.00 0.00 H new ATOM 0 HG23 ILE A 11 3.104 -16.447 -20.927 1.00 0.00 H new ATOM 0 HD11 ILE A 11 5.385 -12.864 -21.005 1.00 0.00 H new ATOM 0 HD12 ILE A 11 6.452 -14.139 -21.640 1.00 0.00 H new ATOM 0 HD13 ILE A 11 4.730 -14.117 -22.087 1.00 0.00 H new ATOM 162 N CYS A 12 5.840 -19.307 -19.585 1.00 0.00 N ATOM 163 CA CYS A 12 5.679 -20.694 -19.987 1.00 0.00 C ATOM 164 C CYS A 12 6.166 -21.686 -18.925 1.00 0.00 C ATOM 165 O CYS A 12 5.666 -22.814 -18.843 1.00 0.00 O ATOM 166 CB CYS A 12 6.430 -20.930 -21.293 1.00 0.00 C ATOM 167 SG CYS A 12 8.202 -20.515 -21.223 1.00 0.00 S ATOM 0 H CYS A 12 6.805 -18.982 -19.530 1.00 0.00 H new ATOM 0 HA CYS A 12 4.611 -20.871 -20.118 1.00 0.00 H new ATOM 0 HB2 CYS A 12 6.325 -21.978 -21.575 1.00 0.00 H new ATOM 0 HB3 CYS A 12 5.961 -20.339 -22.080 1.00 0.00 H new ATOM 0 HG CYS A 12 8.348 -19.224 -21.270 1.00 0.00 H new ATOM 172 N LEU A 13 7.122 -21.254 -18.118 1.00 0.00 N ATOM 173 CA LEU A 13 7.794 -22.096 -17.124 1.00 0.00 C ATOM 174 C LEU A 13 8.545 -23.257 -17.767 1.00 0.00 C ATOM 175 O LEU A 13 8.791 -24.276 -17.118 1.00 0.00 O ATOM 176 CB LEU A 13 6.848 -22.613 -16.025 1.00 0.00 C ATOM 177 CG LEU A 13 6.349 -21.599 -14.992 1.00 0.00 C ATOM 178 CD1 LEU A 13 5.248 -20.726 -15.559 1.00 0.00 C ATOM 179 CD2 LEU A 13 5.887 -22.308 -13.737 1.00 0.00 C ATOM 0 H LEU A 13 7.463 -20.293 -18.131 1.00 0.00 H new ATOM 0 HA LEU A 13 8.520 -21.442 -16.641 1.00 0.00 H new ATOM 0 HB2 LEU A 13 5.978 -23.056 -16.510 1.00 0.00 H new ATOM 0 HB3 LEU A 13 7.358 -23.415 -15.491 1.00 0.00 H new ATOM 0 HG LEU A 13 7.182 -20.945 -14.733 1.00 0.00 H new ATOM 0 HD11 LEU A 13 4.917 -20.018 -14.799 1.00 0.00 H new ATOM 0 HD12 LEU A 13 5.625 -20.180 -16.424 1.00 0.00 H new ATOM 0 HD13 LEU A 13 4.408 -21.351 -15.863 1.00 0.00 H new ATOM 0 HD21 LEU A 13 5.535 -21.573 -13.013 1.00 0.00 H new ATOM 0 HD22 LEU A 13 5.075 -22.992 -13.984 1.00 0.00 H new ATOM 0 HD23 LEU A 13 6.718 -22.870 -13.310 1.00 0.00 H new ATOM 191 N MET A 14 8.908 -23.114 -19.037 1.00 0.00 N ATOM 192 CA MET A 14 9.700 -24.138 -19.703 1.00 0.00 C ATOM 193 C MET A 14 11.180 -23.794 -19.656 1.00 0.00 C ATOM 194 O MET A 14 11.964 -24.475 -19.009 1.00 0.00 O ATOM 195 CB MET A 14 9.272 -24.332 -21.161 1.00 0.00 C ATOM 196 CG MET A 14 7.881 -24.903 -21.349 1.00 0.00 C ATOM 197 SD MET A 14 7.489 -25.185 -23.089 1.00 0.00 S ATOM 198 CE MET A 14 7.374 -23.506 -23.706 1.00 0.00 C ATOM 0 H MET A 14 8.670 -22.310 -19.618 1.00 0.00 H new ATOM 0 HA MET A 14 9.526 -25.070 -19.165 1.00 0.00 H new ATOM 0 HB2 MET A 14 9.326 -23.370 -21.671 1.00 0.00 H new ATOM 0 HB3 MET A 14 9.989 -24.992 -21.650 1.00 0.00 H new ATOM 0 HG2 MET A 14 7.799 -25.843 -20.803 1.00 0.00 H new ATOM 0 HG3 MET A 14 7.148 -24.220 -20.919 1.00 0.00 H new ATOM 0 HE1 MET A 14 7.862 -23.441 -24.678 1.00 0.00 H new ATOM 0 HE2 MET A 14 6.325 -23.227 -23.807 1.00 0.00 H new ATOM 0 HE3 MET A 14 7.864 -22.827 -23.008 1.00 0.00 H new ATOM 208 N ALA A 15 11.538 -22.722 -20.332 1.00 0.00 N ATOM 209 CA ALA A 15 12.922 -22.288 -20.474 1.00 0.00 C ATOM 210 C ALA A 15 12.919 -20.901 -21.067 1.00 0.00 C ATOM 211 O ALA A 15 11.862 -20.296 -21.183 1.00 0.00 O ATOM 212 CB ALA A 15 13.673 -23.242 -21.402 1.00 0.00 C ATOM 0 H ALA A 15 10.870 -22.115 -20.807 1.00 0.00 H new ATOM 0 HA ALA A 15 13.417 -22.285 -19.503 1.00 0.00 H new ATOM 0 HB1 ALA A 15 14.707 -22.912 -21.504 1.00 0.00 H new ATOM 0 HB2 ALA A 15 13.653 -24.248 -20.983 1.00 0.00 H new ATOM 0 HB3 ALA A 15 13.196 -23.247 -22.382 1.00 0.00 H new ATOM 218 N LEU A 16 14.087 -20.395 -21.422 1.00 0.00 N ATOM 219 CA LEU A 16 14.185 -19.138 -22.134 1.00 0.00 C ATOM 220 C LEU A 16 14.599 -19.395 -23.568 1.00 0.00 C ATOM 221 O LEU A 16 15.623 -20.008 -23.819 1.00 0.00 O ATOM 222 CB LEU A 16 15.215 -18.221 -21.471 1.00 0.00 C ATOM 223 CG LEU A 16 14.916 -17.762 -20.046 1.00 0.00 C ATOM 224 CD1 LEU A 16 16.068 -16.939 -19.509 1.00 0.00 C ATOM 225 CD2 LEU A 16 13.639 -16.941 -20.018 1.00 0.00 C ATOM 0 H LEU A 16 14.984 -20.840 -21.226 1.00 0.00 H new ATOM 0 HA LEU A 16 13.210 -18.651 -22.110 1.00 0.00 H new ATOM 0 HB2 LEU A 16 16.175 -18.737 -21.467 1.00 0.00 H new ATOM 0 HB3 LEU A 16 15.332 -17.335 -22.095 1.00 0.00 H new ATOM 0 HG LEU A 16 14.786 -18.642 -19.416 1.00 0.00 H new ATOM 0 HD11 LEU A 16 15.843 -16.618 -18.492 1.00 0.00 H new ATOM 0 HD12 LEU A 16 16.976 -17.542 -19.506 1.00 0.00 H new ATOM 0 HD13 LEU A 16 16.216 -16.064 -20.142 1.00 0.00 H new ATOM 0 HD21 LEU A 16 13.436 -16.619 -18.997 1.00 0.00 H new ATOM 0 HD22 LEU A 16 13.755 -16.066 -20.658 1.00 0.00 H new ATOM 0 HD23 LEU A 16 12.809 -17.548 -20.379 1.00 0.00 H new ATOM 237 N ARG A 17 13.791 -18.946 -24.503 1.00 0.00 N ATOM 238 CA ARG A 17 14.123 -19.071 -25.919 1.00 0.00 C ATOM 239 C ARG A 17 15.309 -18.177 -26.317 1.00 0.00 C ATOM 240 O ARG A 17 16.202 -18.609 -27.039 1.00 0.00 O ATOM 241 CB ARG A 17 12.894 -18.787 -26.789 1.00 0.00 C ATOM 242 CG ARG A 17 13.146 -18.869 -28.285 1.00 0.00 C ATOM 243 CD ARG A 17 13.555 -20.257 -28.736 1.00 0.00 C ATOM 244 NE ARG A 17 13.814 -20.281 -30.173 1.00 0.00 N ATOM 245 CZ ARG A 17 14.592 -21.167 -30.792 1.00 0.00 C ATOM 246 NH1 ARG A 17 15.187 -22.138 -30.102 1.00 0.00 N ATOM 247 NH2 ARG A 17 14.775 -21.082 -32.106 1.00 0.00 N ATOM 0 H ARG A 17 12.898 -18.490 -24.316 1.00 0.00 H new ATOM 0 HA ARG A 17 14.435 -20.101 -26.092 1.00 0.00 H new ATOM 0 HB2 ARG A 17 12.108 -19.495 -26.527 1.00 0.00 H new ATOM 0 HB3 ARG A 17 12.519 -17.792 -26.551 1.00 0.00 H new ATOM 0 HG2 ARG A 17 12.243 -18.570 -28.818 1.00 0.00 H new ATOM 0 HG3 ARG A 17 13.927 -18.159 -28.557 1.00 0.00 H new ATOM 0 HD2 ARG A 17 14.448 -20.571 -28.196 1.00 0.00 H new ATOM 0 HD3 ARG A 17 12.768 -20.970 -28.492 1.00 0.00 H new ATOM 0 HE ARG A 17 13.365 -19.566 -30.745 1.00 0.00 H new ATOM 0 HH11 ARG A 17 15.048 -22.206 -29.094 1.00 0.00 H new ATOM 0 HH12 ARG A 17 15.782 -22.814 -30.582 1.00 0.00 H new ATOM 0 HH21 ARG A 17 14.320 -20.340 -32.637 1.00 0.00 H new ATOM 0 HH22 ARG A 17 15.370 -21.759 -32.583 1.00 0.00 H new ATOM 261 N GLU A 18 15.306 -16.934 -25.848 1.00 0.00 N ATOM 262 CA GLU A 18 16.403 -16.001 -26.141 1.00 0.00 C ATOM 263 C GLU A 18 16.865 -15.243 -24.905 1.00 0.00 C ATOM 264 O GLU A 18 17.906 -14.583 -24.932 1.00 0.00 O ATOM 265 CB GLU A 18 16.034 -15.007 -27.246 1.00 0.00 C ATOM 266 CG GLU A 18 15.850 -15.621 -28.625 1.00 0.00 C ATOM 267 CD GLU A 18 15.554 -14.582 -29.674 1.00 0.00 C ATOM 268 OE1 GLU A 18 16.464 -13.779 -29.991 1.00 0.00 O ATOM 269 OE2 GLU A 18 14.412 -14.546 -30.184 1.00 0.00 O ATOM 0 H GLU A 18 14.564 -16.545 -25.266 1.00 0.00 H new ATOM 0 HA GLU A 18 17.229 -16.620 -26.491 1.00 0.00 H new ATOM 0 HB2 GLU A 18 15.111 -14.499 -26.964 1.00 0.00 H new ATOM 0 HB3 GLU A 18 16.812 -14.246 -27.304 1.00 0.00 H new ATOM 0 HG2 GLU A 18 16.752 -16.167 -28.901 1.00 0.00 H new ATOM 0 HG3 GLU A 18 15.036 -16.345 -28.593 1.00 0.00 H new ATOM 276 N ALA A 19 16.082 -15.335 -23.831 1.00 0.00 N ATOM 277 CA ALA A 19 16.335 -14.588 -22.596 1.00 0.00 C ATOM 278 C ALA A 19 16.295 -13.077 -22.825 1.00 0.00 C ATOM 279 O ALA A 19 17.333 -12.430 -23.003 1.00 0.00 O ATOM 280 CB ALA A 19 17.655 -15.005 -21.938 1.00 0.00 C ATOM 0 H ALA A 19 15.254 -15.929 -23.791 1.00 0.00 H new ATOM 0 HA ALA A 19 15.527 -14.840 -21.909 1.00 0.00 H new ATOM 0 HB1 ALA A 19 17.805 -14.428 -21.026 1.00 0.00 H new ATOM 0 HB2 ALA A 19 17.620 -16.067 -21.694 1.00 0.00 H new ATOM 0 HB3 ALA A 19 18.480 -14.817 -22.626 1.00 0.00 H new ATOM 286 N VAL A 20 15.096 -12.517 -22.846 1.00 0.00 N ATOM 287 CA VAL A 20 14.948 -11.082 -22.991 1.00 0.00 C ATOM 288 C VAL A 20 14.457 -10.447 -21.700 1.00 0.00 C ATOM 289 O VAL A 20 13.370 -10.756 -21.197 1.00 0.00 O ATOM 290 CB VAL A 20 14.060 -10.657 -24.199 1.00 0.00 C ATOM 291 CG1 VAL A 20 14.744 -10.998 -25.510 1.00 0.00 C ATOM 292 CG2 VAL A 20 12.678 -11.300 -24.141 1.00 0.00 C ATOM 0 H VAL A 20 14.219 -13.031 -22.765 1.00 0.00 H new ATOM 0 HA VAL A 20 15.946 -10.704 -23.211 1.00 0.00 H new ATOM 0 HB VAL A 20 13.925 -9.577 -24.139 1.00 0.00 H new ATOM 0 HG11 VAL A 20 14.109 -10.694 -26.342 1.00 0.00 H new ATOM 0 HG12 VAL A 20 15.697 -10.473 -25.570 1.00 0.00 H new ATOM 0 HG13 VAL A 20 14.918 -12.073 -25.561 1.00 0.00 H new ATOM 0 HG21 VAL A 20 12.091 -10.978 -25.001 1.00 0.00 H new ATOM 0 HG22 VAL A 20 12.781 -12.385 -24.157 1.00 0.00 H new ATOM 0 HG23 VAL A 20 12.174 -10.997 -23.223 1.00 0.00 H new ATOM 302 N GLN A 21 15.297 -9.610 -21.147 1.00 0.00 N ATOM 303 CA GLN A 21 15.000 -8.882 -19.939 1.00 0.00 C ATOM 304 C GLN A 21 14.156 -7.645 -20.257 1.00 0.00 C ATOM 305 O GLN A 21 14.434 -6.923 -21.219 1.00 0.00 O ATOM 306 CB GLN A 21 16.310 -8.497 -19.245 1.00 0.00 C ATOM 307 CG GLN A 21 16.150 -7.702 -17.957 1.00 0.00 C ATOM 308 CD GLN A 21 17.481 -7.288 -17.350 1.00 0.00 C ATOM 309 OE1 GLN A 21 17.607 -7.160 -16.131 1.00 0.00 O ATOM 310 NE2 GLN A 21 18.477 -7.058 -18.190 1.00 0.00 N ATOM 0 H GLN A 21 16.222 -9.412 -21.529 1.00 0.00 H new ATOM 0 HA GLN A 21 14.420 -9.512 -19.265 1.00 0.00 H new ATOM 0 HB2 GLN A 21 16.867 -9.407 -19.025 1.00 0.00 H new ATOM 0 HB3 GLN A 21 16.914 -7.914 -19.941 1.00 0.00 H new ATOM 0 HG2 GLN A 21 15.555 -6.811 -18.157 1.00 0.00 H new ATOM 0 HG3 GLN A 21 15.596 -8.300 -17.233 1.00 0.00 H new ATOM 0 HE21 GLN A 21 18.335 -7.175 -19.193 1.00 0.00 H new ATOM 0 HE22 GLN A 21 19.387 -6.764 -17.834 1.00 0.00 H new ATOM 319 N THR A 22 13.133 -7.427 -19.479 1.00 0.00 N ATOM 320 CA THR A 22 12.271 -6.285 -19.642 1.00 0.00 C ATOM 321 C THR A 22 12.792 -5.113 -18.791 1.00 0.00 C ATOM 322 O THR A 22 13.595 -5.323 -17.865 1.00 0.00 O ATOM 323 CB THR A 22 10.836 -6.637 -19.197 1.00 0.00 C ATOM 324 OG1 THR A 22 10.844 -7.037 -17.821 1.00 0.00 O ATOM 325 CG2 THR A 22 10.279 -7.775 -20.040 1.00 0.00 C ATOM 0 H THR A 22 12.870 -8.040 -18.707 1.00 0.00 H new ATOM 0 HA THR A 22 12.263 -5.999 -20.694 1.00 0.00 H new ATOM 0 HB THR A 22 10.208 -5.756 -19.327 1.00 0.00 H new ATOM 0 HG1 THR A 22 10.018 -6.736 -17.388 1.00 0.00 H new ATOM 0 HG21 THR A 22 9.266 -8.009 -19.712 1.00 0.00 H new ATOM 0 HG22 THR A 22 10.261 -7.476 -21.088 1.00 0.00 H new ATOM 0 HG23 THR A 22 10.911 -8.656 -19.925 1.00 0.00 H new ATOM 333 N PRO A 23 12.348 -3.868 -19.083 1.00 0.00 N ATOM 334 CA PRO A 23 12.729 -2.675 -18.303 1.00 0.00 C ATOM 335 C PRO A 23 12.357 -2.810 -16.828 1.00 0.00 C ATOM 336 O PRO A 23 13.055 -2.304 -15.950 1.00 0.00 O ATOM 337 CB PRO A 23 11.911 -1.558 -18.944 1.00 0.00 C ATOM 338 CG PRO A 23 11.659 -2.033 -20.325 1.00 0.00 C ATOM 339 CD PRO A 23 11.468 -3.514 -20.215 1.00 0.00 C ATOM 0 HA PRO A 23 13.805 -2.504 -18.321 1.00 0.00 H new ATOM 0 HB2 PRO A 23 10.979 -1.389 -18.405 1.00 0.00 H new ATOM 0 HB3 PRO A 23 12.456 -0.614 -18.941 1.00 0.00 H new ATOM 0 HG2 PRO A 23 10.776 -1.555 -20.749 1.00 0.00 H new ATOM 0 HG3 PRO A 23 12.496 -1.794 -20.980 1.00 0.00 H new ATOM 0 HD2 PRO A 23 10.428 -3.775 -20.018 1.00 0.00 H new ATOM 0 HD3 PRO A 23 11.758 -4.029 -21.131 1.00 0.00 H new ATOM 347 N CYS A 24 11.256 -3.503 -16.565 1.00 0.00 N ATOM 348 CA CYS A 24 10.772 -3.708 -15.210 1.00 0.00 C ATOM 349 C CYS A 24 11.644 -4.700 -14.426 1.00 0.00 C ATOM 350 O CYS A 24 11.553 -4.795 -13.199 1.00 0.00 O ATOM 351 CB CYS A 24 9.312 -4.147 -15.236 1.00 0.00 C ATOM 352 SG CYS A 24 8.898 -5.271 -16.610 1.00 0.00 S ATOM 0 H CYS A 24 10.677 -3.937 -17.284 1.00 0.00 H new ATOM 0 HA CYS A 24 10.840 -2.756 -14.683 1.00 0.00 H new ATOM 0 HB2 CYS A 24 9.075 -4.640 -14.293 1.00 0.00 H new ATOM 0 HB3 CYS A 24 8.679 -3.262 -15.301 1.00 0.00 H new ATOM 0 HG CYS A 24 7.606 -5.384 -16.704 1.00 0.00 H new ATOM 357 N GLY A 25 12.476 -5.438 -15.136 1.00 0.00 N ATOM 358 CA GLY A 25 13.357 -6.380 -14.487 1.00 0.00 C ATOM 359 C GLY A 25 12.797 -7.780 -14.467 1.00 0.00 C ATOM 360 O GLY A 25 12.985 -8.522 -13.502 1.00 0.00 O ATOM 0 H GLY A 25 12.558 -5.402 -16.152 1.00 0.00 H new ATOM 0 HA2 GLY A 25 14.319 -6.385 -15.000 1.00 0.00 H new ATOM 0 HA3 GLY A 25 13.543 -6.052 -13.464 1.00 0.00 H new ATOM 364 N HIS A 26 12.089 -8.133 -15.516 1.00 0.00 N ATOM 365 CA HIS A 26 11.547 -9.471 -15.670 1.00 0.00 C ATOM 366 C HIS A 26 12.185 -10.100 -16.877 1.00 0.00 C ATOM 367 O HIS A 26 12.618 -9.396 -17.772 1.00 0.00 O ATOM 368 CB HIS A 26 10.024 -9.436 -15.811 1.00 0.00 C ATOM 369 CG HIS A 26 9.351 -8.914 -14.591 1.00 0.00 C ATOM 370 ND1 HIS A 26 8.902 -7.608 -14.476 1.00 0.00 N ATOM 371 CD2 HIS A 26 9.104 -9.503 -13.402 1.00 0.00 C ATOM 372 CE1 HIS A 26 8.420 -7.428 -13.261 1.00 0.00 C ATOM 373 NE2 HIS A 26 8.528 -8.558 -12.592 1.00 0.00 N ATOM 0 H HIS A 26 11.871 -7.503 -16.288 1.00 0.00 H new ATOM 0 HA HIS A 26 11.769 -10.063 -14.782 1.00 0.00 H new ATOM 0 HB2 HIS A 26 9.756 -8.814 -16.665 1.00 0.00 H new ATOM 0 HB3 HIS A 26 9.659 -10.441 -16.022 1.00 0.00 H new ATOM 0 HD1 HIS A 26 8.938 -6.901 -15.211 1.00 0.00 H new ATOM 0 HD2 HIS A 26 9.320 -10.528 -13.138 1.00 0.00 H new ATOM 0 HE1 HIS A 26 8.006 -6.507 -12.878 1.00 0.00 H new ATOM 380 N ARG A 27 12.281 -11.394 -16.908 1.00 0.00 N ATOM 381 CA ARG A 27 12.981 -12.025 -17.993 1.00 0.00 C ATOM 382 C ARG A 27 12.061 -13.041 -18.660 1.00 0.00 C ATOM 383 O ARG A 27 11.571 -13.965 -18.012 1.00 0.00 O ATOM 384 CB ARG A 27 14.221 -12.710 -17.439 1.00 0.00 C ATOM 385 CG ARG A 27 15.244 -13.115 -18.478 1.00 0.00 C ATOM 386 CD ARG A 27 16.404 -13.849 -17.815 1.00 0.00 C ATOM 387 NE ARG A 27 17.024 -13.050 -16.747 1.00 0.00 N ATOM 388 CZ ARG A 27 18.056 -12.222 -16.900 1.00 0.00 C ATOM 389 NH1 ARG A 27 18.605 -12.054 -18.093 1.00 0.00 N ATOM 390 NH2 ARG A 27 18.535 -11.560 -15.853 1.00 0.00 N ATOM 0 H ARG A 27 11.892 -12.028 -16.210 1.00 0.00 H new ATOM 0 HA ARG A 27 13.281 -11.286 -18.736 1.00 0.00 H new ATOM 0 HB2 ARG A 27 14.698 -12.041 -16.722 1.00 0.00 H new ATOM 0 HB3 ARG A 27 13.912 -13.599 -16.889 1.00 0.00 H new ATOM 0 HG2 ARG A 27 14.779 -13.756 -19.227 1.00 0.00 H new ATOM 0 HG3 ARG A 27 15.613 -12.232 -18.999 1.00 0.00 H new ATOM 0 HD2 ARG A 27 16.047 -14.792 -17.401 1.00 0.00 H new ATOM 0 HD3 ARG A 27 17.155 -14.094 -18.566 1.00 0.00 H new ATOM 0 HE ARG A 27 16.630 -13.137 -15.810 1.00 0.00 H new ATOM 0 HH11 ARG A 27 18.238 -12.560 -18.899 1.00 0.00 H new ATOM 0 HH12 ARG A 27 19.395 -11.419 -18.206 1.00 0.00 H new ATOM 0 HH21 ARG A 27 18.113 -11.686 -14.933 1.00 0.00 H new ATOM 0 HH22 ARG A 27 19.325 -10.926 -15.969 1.00 0.00 H new ATOM 404 N PHE A 28 11.831 -12.865 -19.938 1.00 0.00 N ATOM 405 CA PHE A 28 10.908 -13.711 -20.671 1.00 0.00 C ATOM 406 C PHE A 28 11.557 -14.198 -21.947 1.00 0.00 C ATOM 407 O PHE A 28 12.677 -13.802 -22.278 1.00 0.00 O ATOM 408 CB PHE A 28 9.626 -12.947 -21.034 1.00 0.00 C ATOM 409 CG PHE A 28 8.861 -12.403 -19.867 1.00 0.00 C ATOM 410 CD1 PHE A 28 8.128 -13.242 -19.050 1.00 0.00 C ATOM 411 CD2 PHE A 28 8.861 -11.045 -19.599 1.00 0.00 C ATOM 412 CE1 PHE A 28 7.411 -12.740 -17.985 1.00 0.00 C ATOM 413 CE2 PHE A 28 8.150 -10.539 -18.536 1.00 0.00 C ATOM 414 CZ PHE A 28 7.423 -11.386 -17.727 1.00 0.00 C ATOM 0 H PHE A 28 12.273 -12.138 -20.501 1.00 0.00 H new ATOM 0 HA PHE A 28 10.651 -14.555 -20.031 1.00 0.00 H new ATOM 0 HB2 PHE A 28 9.888 -12.120 -21.694 1.00 0.00 H new ATOM 0 HB3 PHE A 28 8.973 -13.612 -21.599 1.00 0.00 H new ATOM 0 HD1 PHE A 28 8.117 -14.304 -19.248 1.00 0.00 H new ATOM 0 HD2 PHE A 28 9.425 -10.376 -20.231 1.00 0.00 H new ATOM 0 HE1 PHE A 28 6.841 -13.406 -17.354 1.00 0.00 H new ATOM 0 HE2 PHE A 28 8.161 -9.478 -18.335 1.00 0.00 H new ATOM 0 HZ PHE A 28 6.864 -10.989 -16.892 1.00 0.00 H new ATOM 424 N CYS A 29 10.882 -15.079 -22.645 1.00 0.00 N ATOM 425 CA CYS A 29 11.314 -15.453 -23.966 1.00 0.00 C ATOM 426 C CYS A 29 10.784 -14.444 -24.956 1.00 0.00 C ATOM 427 O CYS A 29 9.685 -13.918 -24.784 1.00 0.00 O ATOM 428 CB CYS A 29 10.765 -16.815 -24.326 1.00 0.00 C ATOM 429 SG CYS A 29 11.210 -18.114 -23.161 1.00 0.00 S ATOM 0 H CYS A 29 10.036 -15.547 -22.321 1.00 0.00 H new ATOM 0 HA CYS A 29 12.403 -15.482 -23.992 1.00 0.00 H new ATOM 0 HB2 CYS A 29 9.679 -16.753 -24.388 1.00 0.00 H new ATOM 0 HB3 CYS A 29 11.125 -17.091 -25.317 1.00 0.00 H new ATOM 0 HG CYS A 29 10.168 -18.852 -22.915 1.00 0.00 H new ATOM 434 N LYS A 30 11.533 -14.211 -26.014 1.00 0.00 N ATOM 435 CA LYS A 30 11.148 -13.247 -27.033 1.00 0.00 C ATOM 436 C LYS A 30 10.075 -13.845 -27.965 1.00 0.00 C ATOM 437 O LYS A 30 9.682 -13.256 -28.964 1.00 0.00 O ATOM 438 CB LYS A 30 12.389 -12.784 -27.810 1.00 0.00 C ATOM 439 CG LYS A 30 12.132 -11.703 -28.843 1.00 0.00 C ATOM 440 CD LYS A 30 13.413 -11.293 -29.521 1.00 0.00 C ATOM 441 CE LYS A 30 13.176 -10.203 -30.543 1.00 0.00 C ATOM 442 NZ LYS A 30 14.437 -9.793 -31.199 1.00 0.00 N ATOM 0 H LYS A 30 12.421 -14.679 -26.195 1.00 0.00 H new ATOM 0 HA LYS A 30 10.708 -12.372 -26.554 1.00 0.00 H new ATOM 0 HB2 LYS A 30 13.129 -12.417 -27.098 1.00 0.00 H new ATOM 0 HB3 LYS A 30 12.829 -13.647 -28.311 1.00 0.00 H new ATOM 0 HG2 LYS A 30 11.422 -12.066 -29.586 1.00 0.00 H new ATOM 0 HG3 LYS A 30 11.676 -10.837 -28.363 1.00 0.00 H new ATOM 0 HD2 LYS A 30 14.126 -10.944 -28.774 1.00 0.00 H new ATOM 0 HD3 LYS A 30 13.861 -12.159 -30.008 1.00 0.00 H new ATOM 0 HE2 LYS A 30 12.471 -10.555 -31.296 1.00 0.00 H new ATOM 0 HE3 LYS A 30 12.720 -9.340 -30.058 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 14.240 -9.045 -31.894 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 15.100 -9.434 -30.483 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 14.859 -10.611 -31.682 1.00 0.00 H new ATOM 456 N ALA A 31 9.591 -15.007 -27.605 1.00 0.00 N ATOM 457 CA ALA A 31 8.535 -15.646 -28.344 1.00 0.00 C ATOM 458 C ALA A 31 7.296 -15.736 -27.475 1.00 0.00 C ATOM 459 O ALA A 31 6.173 -15.644 -27.965 1.00 0.00 O ATOM 460 CB ALA A 31 8.970 -17.033 -28.794 1.00 0.00 C ATOM 0 H ALA A 31 9.917 -15.534 -26.795 1.00 0.00 H new ATOM 0 HA ALA A 31 8.308 -15.055 -29.231 1.00 0.00 H new ATOM 0 HB1 ALA A 31 8.161 -17.505 -29.352 1.00 0.00 H new ATOM 0 HB2 ALA A 31 9.850 -16.949 -29.432 1.00 0.00 H new ATOM 0 HB3 ALA A 31 9.211 -17.640 -27.921 1.00 0.00 H new ATOM 466 N CYS A 32 7.509 -15.881 -26.177 1.00 0.00 N ATOM 467 CA CYS A 32 6.423 -15.953 -25.231 1.00 0.00 C ATOM 468 C CYS A 32 5.857 -14.572 -24.937 1.00 0.00 C ATOM 469 O CYS A 32 4.639 -14.389 -24.949 1.00 0.00 O ATOM 470 CB CYS A 32 6.887 -16.625 -23.944 1.00 0.00 C ATOM 471 SG CYS A 32 7.676 -18.243 -24.203 1.00 0.00 S ATOM 0 H CYS A 32 8.436 -15.951 -25.758 1.00 0.00 H new ATOM 0 HA CYS A 32 5.628 -16.553 -25.674 1.00 0.00 H new ATOM 0 HB2 CYS A 32 7.590 -15.966 -23.434 1.00 0.00 H new ATOM 0 HB3 CYS A 32 6.030 -16.751 -23.282 1.00 0.00 H new ATOM 0 HG CYS A 32 7.691 -18.903 -23.083 1.00 0.00 H new ATOM 476 N ILE A 33 6.740 -13.595 -24.693 1.00 0.00 N ATOM 477 CA ILE A 33 6.287 -12.248 -24.359 1.00 0.00 C ATOM 478 C ILE A 33 5.566 -11.597 -25.540 1.00 0.00 C ATOM 479 O ILE A 33 4.519 -10.990 -25.370 1.00 0.00 O ATOM 480 CB ILE A 33 7.438 -11.329 -23.818 1.00 0.00 C ATOM 481 CG1 ILE A 33 6.879 -10.011 -23.253 1.00 0.00 C ATOM 482 CG2 ILE A 33 8.488 -11.042 -24.885 1.00 0.00 C ATOM 483 CD1 ILE A 33 5.980 -10.182 -22.048 1.00 0.00 C ATOM 0 H ILE A 33 7.753 -13.712 -24.721 1.00 0.00 H new ATOM 0 HA ILE A 33 5.574 -12.358 -23.542 1.00 0.00 H new ATOM 0 HB ILE A 33 7.924 -11.876 -23.010 1.00 0.00 H new ATOM 0 HG12 ILE A 33 7.712 -9.363 -22.981 1.00 0.00 H new ATOM 0 HG13 ILE A 33 6.322 -9.500 -24.038 1.00 0.00 H new ATOM 0 HG21 ILE A 33 9.266 -10.403 -24.467 1.00 0.00 H new ATOM 0 HG22 ILE A 33 8.931 -11.980 -25.221 1.00 0.00 H new ATOM 0 HG23 ILE A 33 8.019 -10.538 -25.730 1.00 0.00 H new ATOM 0 HD11 ILE A 33 5.630 -9.205 -21.714 1.00 0.00 H new ATOM 0 HD12 ILE A 33 5.125 -10.801 -22.317 1.00 0.00 H new ATOM 0 HD13 ILE A 33 6.537 -10.663 -21.244 1.00 0.00 H new ATOM 495 N ILE A 34 6.104 -11.784 -26.741 1.00 0.00 N ATOM 496 CA ILE A 34 5.509 -11.218 -27.948 1.00 0.00 C ATOM 497 C ILE A 34 4.119 -11.807 -28.198 1.00 0.00 C ATOM 498 O ILE A 34 3.167 -11.080 -28.487 1.00 0.00 O ATOM 499 CB ILE A 34 6.425 -11.333 -29.205 1.00 0.00 C ATOM 500 CG1 ILE A 34 7.662 -10.440 -29.027 1.00 0.00 C ATOM 501 CG2 ILE A 34 5.671 -10.931 -30.467 1.00 0.00 C ATOM 502 CD1 ILE A 34 8.686 -10.567 -30.137 1.00 0.00 C ATOM 0 H ILE A 34 6.953 -12.325 -26.905 1.00 0.00 H new ATOM 0 HA ILE A 34 5.400 -10.149 -27.768 1.00 0.00 H new ATOM 0 HB ILE A 34 6.738 -12.372 -29.311 1.00 0.00 H new ATOM 0 HG12 ILE A 34 7.340 -9.401 -28.963 1.00 0.00 H new ATOM 0 HG13 ILE A 34 8.139 -10.685 -28.078 1.00 0.00 H new ATOM 0 HG21 ILE A 34 6.332 -11.020 -31.329 1.00 0.00 H new ATOM 0 HG22 ILE A 34 4.810 -11.586 -30.601 1.00 0.00 H new ATOM 0 HG23 ILE A 34 5.331 -9.899 -30.375 1.00 0.00 H new ATOM 0 HD11 ILE A 34 9.527 -9.904 -29.934 1.00 0.00 H new ATOM 0 HD12 ILE A 34 9.040 -11.596 -30.189 1.00 0.00 H new ATOM 0 HD13 ILE A 34 8.228 -10.292 -31.087 1.00 0.00 H new ATOM 514 N LYS A 35 3.992 -13.113 -28.011 1.00 0.00 N ATOM 515 CA LYS A 35 2.736 -13.807 -28.275 1.00 0.00 C ATOM 516 C LYS A 35 1.747 -13.584 -27.115 1.00 0.00 C ATOM 517 O LYS A 35 0.605 -14.029 -27.157 1.00 0.00 O ATOM 518 CB LYS A 35 3.009 -15.313 -28.471 1.00 0.00 C ATOM 519 CG LYS A 35 1.778 -16.171 -28.772 1.00 0.00 C ATOM 520 CD LYS A 35 1.144 -15.810 -30.109 1.00 0.00 C ATOM 521 CE LYS A 35 -0.141 -16.593 -30.346 1.00 0.00 C ATOM 522 NZ LYS A 35 0.079 -18.058 -30.309 1.00 0.00 N ATOM 0 H LYS A 35 4.744 -13.716 -27.677 1.00 0.00 H new ATOM 0 HA LYS A 35 2.290 -13.406 -29.185 1.00 0.00 H new ATOM 0 HB2 LYS A 35 3.722 -15.432 -29.287 1.00 0.00 H new ATOM 0 HB3 LYS A 35 3.488 -15.698 -27.571 1.00 0.00 H new ATOM 0 HG2 LYS A 35 2.062 -17.223 -28.778 1.00 0.00 H new ATOM 0 HG3 LYS A 35 1.044 -16.044 -27.976 1.00 0.00 H new ATOM 0 HD2 LYS A 35 0.930 -14.741 -30.135 1.00 0.00 H new ATOM 0 HD3 LYS A 35 1.850 -16.014 -30.914 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -0.876 -16.319 -29.589 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -0.560 -16.315 -31.313 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -0.778 -18.546 -30.640 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 0.879 -18.305 -30.927 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 0.291 -18.353 -29.334 1.00 0.00 H new ATOM 536 N SER A 36 2.176 -12.867 -26.103 1.00 0.00 N ATOM 537 CA SER A 36 1.311 -12.570 -24.986 1.00 0.00 C ATOM 538 C SER A 36 0.857 -11.109 -25.048 1.00 0.00 C ATOM 539 O SER A 36 -0.187 -10.757 -24.516 1.00 0.00 O ATOM 540 CB SER A 36 2.040 -12.857 -23.659 1.00 0.00 C ATOM 541 OG SER A 36 1.152 -12.827 -22.549 1.00 0.00 O ATOM 0 H SER A 36 3.117 -12.479 -26.030 1.00 0.00 H new ATOM 0 HA SER A 36 0.429 -13.209 -25.039 1.00 0.00 H new ATOM 0 HB2 SER A 36 2.521 -13.834 -23.713 1.00 0.00 H new ATOM 0 HB3 SER A 36 2.830 -12.120 -23.512 1.00 0.00 H new ATOM 0 HG SER A 36 1.650 -13.015 -21.726 1.00 0.00 H new ATOM 547 N ILE A 37 1.609 -10.275 -25.767 1.00 0.00 N ATOM 548 CA ILE A 37 1.336 -8.840 -25.773 1.00 0.00 C ATOM 549 C ILE A 37 0.640 -8.383 -27.050 1.00 0.00 C ATOM 550 O ILE A 37 0.027 -7.327 -27.078 1.00 0.00 O ATOM 551 CB ILE A 37 2.630 -8.008 -25.580 1.00 0.00 C ATOM 552 CG1 ILE A 37 3.632 -8.313 -26.698 1.00 0.00 C ATOM 553 CG2 ILE A 37 3.237 -8.266 -24.207 1.00 0.00 C ATOM 554 CD1 ILE A 37 4.878 -7.465 -26.665 1.00 0.00 C ATOM 0 H ILE A 37 2.399 -10.563 -26.344 1.00 0.00 H new ATOM 0 HA ILE A 37 0.665 -8.667 -24.931 1.00 0.00 H new ATOM 0 HB ILE A 37 2.375 -6.950 -25.635 1.00 0.00 H new ATOM 0 HG12 ILE A 37 3.920 -9.363 -26.635 1.00 0.00 H new ATOM 0 HG13 ILE A 37 3.138 -8.175 -27.660 1.00 0.00 H new ATOM 0 HG21 ILE A 37 4.144 -7.672 -24.093 1.00 0.00 H new ATOM 0 HG22 ILE A 37 2.521 -7.987 -23.434 1.00 0.00 H new ATOM 0 HG23 ILE A 37 3.481 -9.324 -24.110 1.00 0.00 H new ATOM 0 HD11 ILE A 37 5.532 -7.747 -27.490 1.00 0.00 H new ATOM 0 HD12 ILE A 37 4.605 -6.414 -26.760 1.00 0.00 H new ATOM 0 HD13 ILE A 37 5.399 -7.620 -25.720 1.00 0.00 H new ATOM 566 N ARG A 38 0.739 -9.163 -28.108 1.00 0.00 N ATOM 567 CA ARG A 38 0.037 -8.815 -29.337 1.00 0.00 C ATOM 568 C ARG A 38 -1.170 -9.713 -29.537 1.00 0.00 C ATOM 569 O ARG A 38 -1.874 -9.627 -30.551 1.00 0.00 O ATOM 570 CB ARG A 38 0.980 -8.829 -30.552 1.00 0.00 C ATOM 571 CG ARG A 38 1.533 -10.193 -30.929 1.00 0.00 C ATOM 572 CD ARG A 38 2.599 -10.060 -32.008 1.00 0.00 C ATOM 573 NE ARG A 38 2.070 -9.503 -33.253 1.00 0.00 N ATOM 574 CZ ARG A 38 2.819 -9.005 -34.243 1.00 0.00 C ATOM 575 NH1 ARG A 38 4.146 -8.971 -34.135 1.00 0.00 N ATOM 576 NH2 ARG A 38 2.239 -8.542 -35.334 1.00 0.00 N ATOM 0 H ARG A 38 1.284 -10.024 -28.148 1.00 0.00 H new ATOM 0 HA ARG A 38 -0.328 -7.792 -29.241 1.00 0.00 H new ATOM 0 HB2 ARG A 38 0.446 -8.422 -31.410 1.00 0.00 H new ATOM 0 HB3 ARG A 38 1.816 -8.159 -30.350 1.00 0.00 H new ATOM 0 HG2 ARG A 38 1.957 -10.675 -30.048 1.00 0.00 H new ATOM 0 HG3 ARG A 38 0.726 -10.833 -31.285 1.00 0.00 H new ATOM 0 HD2 ARG A 38 3.404 -9.423 -31.642 1.00 0.00 H new ATOM 0 HD3 ARG A 38 3.033 -11.040 -32.208 1.00 0.00 H new ATOM 0 HE ARG A 38 1.057 -9.494 -33.375 1.00 0.00 H new ATOM 0 HH11 ARG A 38 4.598 -9.326 -33.293 1.00 0.00 H new ATOM 0 HH12 ARG A 38 4.710 -8.590 -34.895 1.00 0.00 H new ATOM 0 HH21 ARG A 38 1.223 -8.565 -35.420 1.00 0.00 H new ATOM 0 HH22 ARG A 38 2.807 -8.161 -36.091 1.00 0.00 H new ATOM 590 N ASP A 39 -1.400 -10.576 -28.559 1.00 0.00 N ATOM 591 CA ASP A 39 -2.510 -11.519 -28.600 1.00 0.00 C ATOM 592 C ASP A 39 -3.471 -11.287 -27.442 1.00 0.00 C ATOM 593 O ASP A 39 -4.664 -11.077 -27.648 1.00 0.00 O ATOM 594 CB ASP A 39 -1.998 -12.957 -28.577 1.00 0.00 C ATOM 595 CG ASP A 39 -3.109 -13.984 -28.563 1.00 0.00 C ATOM 596 OD1 ASP A 39 -3.713 -14.230 -29.624 1.00 0.00 O ATOM 597 OD2 ASP A 39 -3.372 -14.564 -27.491 1.00 0.00 O ATOM 0 H ASP A 39 -0.826 -10.643 -27.718 1.00 0.00 H new ATOM 0 HA ASP A 39 -3.050 -11.354 -29.532 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -1.367 -13.125 -29.450 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -1.370 -13.098 -27.697 1.00 0.00 H new ATOM 602 N ALA A 40 -2.942 -11.318 -26.224 1.00 0.00 N ATOM 603 CA ALA A 40 -3.763 -11.124 -25.047 1.00 0.00 C ATOM 604 C ALA A 40 -3.779 -9.657 -24.632 1.00 0.00 C ATOM 605 O ALA A 40 -4.716 -8.916 -24.952 1.00 0.00 O ATOM 606 CB ALA A 40 -3.279 -12.011 -23.903 1.00 0.00 C ATOM 0 H ALA A 40 -1.953 -11.475 -26.032 1.00 0.00 H new ATOM 0 HA ALA A 40 -4.785 -11.413 -25.291 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -3.908 -11.851 -23.027 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -3.336 -13.057 -24.205 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -2.247 -11.759 -23.659 1.00 0.00 H new ATOM 612 N GLY A 41 -2.726 -9.227 -23.970 1.00 0.00 N ATOM 613 CA GLY A 41 -2.645 -7.866 -23.508 1.00 0.00 C ATOM 614 C GLY A 41 -1.260 -7.334 -23.692 1.00 0.00 C ATOM 615 O GLY A 41 -0.293 -8.031 -23.412 1.00 0.00 O ATOM 0 H GLY A 41 -1.916 -9.804 -23.742 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -3.355 -7.247 -24.056 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -2.924 -7.815 -22.455 1.00 0.00 H new ATOM 619 N HIS A 42 -1.149 -6.102 -24.140 1.00 0.00 N ATOM 620 CA HIS A 42 0.144 -5.512 -24.469 1.00 0.00 C ATOM 621 C HIS A 42 0.862 -5.019 -23.198 1.00 0.00 C ATOM 622 O HIS A 42 1.287 -3.863 -23.095 1.00 0.00 O ATOM 623 CB HIS A 42 -0.054 -4.383 -25.484 1.00 0.00 C ATOM 624 CG HIS A 42 1.192 -3.943 -26.183 1.00 0.00 C ATOM 625 ND1 HIS A 42 1.623 -2.645 -26.196 1.00 0.00 N ATOM 626 CD2 HIS A 42 2.081 -4.636 -26.928 1.00 0.00 C ATOM 627 CE1 HIS A 42 2.711 -2.551 -26.919 1.00 0.00 C ATOM 628 NE2 HIS A 42 3.015 -3.744 -27.371 1.00 0.00 N ATOM 0 H HIS A 42 -1.943 -5.479 -24.288 1.00 0.00 H new ATOM 0 HA HIS A 42 0.783 -6.271 -24.920 1.00 0.00 H new ATOM 0 HB2 HIS A 42 -0.778 -4.708 -26.231 1.00 0.00 H new ATOM 0 HB3 HIS A 42 -0.489 -3.525 -24.972 1.00 0.00 H new ATOM 0 HD2 HIS A 42 2.057 -5.696 -27.134 1.00 0.00 H new ATOM 0 HE1 HIS A 42 3.265 -1.644 -27.111 1.00 0.00 H new ATOM 0 HE2 HIS A 42 3.818 -3.969 -27.958 1.00 0.00 H new ATOM 637 N LYS A 43 0.992 -5.926 -22.252 1.00 0.00 N ATOM 638 CA LYS A 43 1.588 -5.676 -20.959 1.00 0.00 C ATOM 639 C LYS A 43 2.308 -6.948 -20.514 1.00 0.00 C ATOM 640 O LYS A 43 1.989 -8.037 -21.004 1.00 0.00 O ATOM 641 CB LYS A 43 0.472 -5.344 -19.949 1.00 0.00 C ATOM 642 CG LYS A 43 -0.449 -6.526 -19.654 1.00 0.00 C ATOM 643 CD LYS A 43 -1.555 -6.195 -18.660 1.00 0.00 C ATOM 644 CE LYS A 43 -2.744 -5.501 -19.323 1.00 0.00 C ATOM 645 NZ LYS A 43 -2.537 -4.047 -19.528 1.00 0.00 N ATOM 0 H LYS A 43 0.675 -6.889 -22.367 1.00 0.00 H new ATOM 0 HA LYS A 43 2.289 -4.843 -21.014 1.00 0.00 H new ATOM 0 HB2 LYS A 43 0.924 -5.004 -19.017 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -0.123 -4.516 -20.335 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -0.898 -6.869 -20.586 1.00 0.00 H new ATOM 0 HG3 LYS A 43 0.145 -7.352 -19.264 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -1.895 -7.112 -18.180 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -1.155 -5.553 -17.875 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -2.939 -5.972 -20.286 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -3.632 -5.651 -18.709 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -3.436 -3.545 -19.385 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -1.833 -3.697 -18.847 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -2.197 -3.878 -20.496 1.00 0.00 H new ATOM 659 N CYS A 44 3.267 -6.832 -19.622 1.00 0.00 N ATOM 660 CA CYS A 44 3.883 -8.014 -19.070 1.00 0.00 C ATOM 661 C CYS A 44 2.980 -8.598 -17.979 1.00 0.00 C ATOM 662 O CYS A 44 2.626 -7.911 -17.018 1.00 0.00 O ATOM 663 CB CYS A 44 5.303 -7.718 -18.563 1.00 0.00 C ATOM 664 SG CYS A 44 5.477 -6.174 -17.612 1.00 0.00 S ATOM 0 H CYS A 44 3.631 -5.947 -19.269 1.00 0.00 H new ATOM 0 HA CYS A 44 3.993 -8.764 -19.854 1.00 0.00 H new ATOM 0 HB2 CYS A 44 5.630 -8.550 -17.939 1.00 0.00 H new ATOM 0 HB3 CYS A 44 5.977 -7.677 -19.419 1.00 0.00 H new ATOM 0 HG CYS A 44 5.991 -6.437 -16.447 1.00 0.00 H new ATOM 669 N PRO A 45 2.595 -9.878 -18.123 1.00 0.00 N ATOM 670 CA PRO A 45 1.579 -10.514 -17.262 1.00 0.00 C ATOM 671 C PRO A 45 1.962 -10.601 -15.781 1.00 0.00 C ATOM 672 O PRO A 45 1.085 -10.673 -14.913 1.00 0.00 O ATOM 673 CB PRO A 45 1.436 -11.921 -17.860 1.00 0.00 C ATOM 674 CG PRO A 45 2.713 -12.152 -18.590 1.00 0.00 C ATOM 675 CD PRO A 45 3.103 -10.814 -19.145 1.00 0.00 C ATOM 0 HA PRO A 45 0.662 -9.926 -17.255 1.00 0.00 H new ATOM 0 HB2 PRO A 45 1.284 -12.669 -17.082 1.00 0.00 H new ATOM 0 HB3 PRO A 45 0.579 -11.981 -18.531 1.00 0.00 H new ATOM 0 HG2 PRO A 45 3.482 -12.540 -17.922 1.00 0.00 H new ATOM 0 HG3 PRO A 45 2.583 -12.885 -19.386 1.00 0.00 H new ATOM 0 HD2 PRO A 45 4.182 -10.728 -19.273 1.00 0.00 H new ATOM 0 HD3 PRO A 45 2.651 -10.633 -20.120 1.00 0.00 H new ATOM 683 N VAL A 46 3.250 -10.608 -15.493 1.00 0.00 N ATOM 684 CA VAL A 46 3.712 -10.738 -14.119 1.00 0.00 C ATOM 685 C VAL A 46 3.345 -9.513 -13.267 1.00 0.00 C ATOM 686 O VAL A 46 2.782 -9.650 -12.180 1.00 0.00 O ATOM 687 CB VAL A 46 5.241 -10.995 -14.048 1.00 0.00 C ATOM 688 CG1 VAL A 46 5.718 -11.078 -12.601 1.00 0.00 C ATOM 689 CG2 VAL A 46 5.604 -12.265 -14.796 1.00 0.00 C ATOM 0 H VAL A 46 3.994 -10.526 -16.186 1.00 0.00 H new ATOM 0 HA VAL A 46 3.196 -11.605 -13.706 1.00 0.00 H new ATOM 0 HB VAL A 46 5.744 -10.153 -14.524 1.00 0.00 H new ATOM 0 HG11 VAL A 46 6.793 -11.259 -12.582 1.00 0.00 H new ATOM 0 HG12 VAL A 46 5.499 -10.140 -12.091 1.00 0.00 H new ATOM 0 HG13 VAL A 46 5.204 -11.895 -12.095 1.00 0.00 H new ATOM 0 HG21 VAL A 46 6.680 -12.428 -14.735 1.00 0.00 H new ATOM 0 HG22 VAL A 46 5.083 -13.112 -14.350 1.00 0.00 H new ATOM 0 HG23 VAL A 46 5.310 -12.168 -15.841 1.00 0.00 H new ATOM 699 N ASP A 47 3.637 -8.330 -13.777 1.00 0.00 N ATOM 700 CA ASP A 47 3.475 -7.094 -13.008 1.00 0.00 C ATOM 701 C ASP A 47 2.495 -6.109 -13.638 1.00 0.00 C ATOM 702 O ASP A 47 2.331 -4.998 -13.141 1.00 0.00 O ATOM 703 CB ASP A 47 4.841 -6.419 -12.791 1.00 0.00 C ATOM 704 CG ASP A 47 5.644 -6.249 -14.074 1.00 0.00 C ATOM 705 OD1 ASP A 47 5.779 -7.212 -14.857 1.00 0.00 O ATOM 706 OD2 ASP A 47 6.207 -5.179 -14.315 1.00 0.00 O ATOM 0 H ASP A 47 3.990 -8.192 -14.724 1.00 0.00 H new ATOM 0 HA ASP A 47 3.047 -7.383 -12.048 1.00 0.00 H new ATOM 0 HB2 ASP A 47 4.686 -5.441 -12.336 1.00 0.00 H new ATOM 0 HB3 ASP A 47 5.422 -7.011 -12.084 1.00 0.00 H new ATOM 711 N ASN A 48 1.834 -6.529 -14.711 1.00 0.00 N ATOM 712 CA ASN A 48 0.789 -5.721 -15.384 1.00 0.00 C ATOM 713 C ASN A 48 1.298 -4.352 -15.848 1.00 0.00 C ATOM 714 O ASN A 48 0.547 -3.373 -15.866 1.00 0.00 O ATOM 715 CB ASN A 48 -0.448 -5.549 -14.482 1.00 0.00 C ATOM 716 CG ASN A 48 -1.232 -6.833 -14.279 1.00 0.00 C ATOM 717 OD1 ASN A 48 -1.273 -7.702 -15.152 1.00 0.00 O ATOM 718 ND2 ASN A 48 -1.869 -6.960 -13.128 1.00 0.00 N ATOM 0 H ASN A 48 1.997 -7.436 -15.149 1.00 0.00 H new ATOM 0 HA ASN A 48 0.505 -6.278 -16.277 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -0.130 -5.169 -13.511 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -1.105 -4.797 -14.919 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -2.418 -7.799 -12.939 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -1.812 -6.219 -12.429 1.00 0.00 H new ATOM 725 N GLU A 49 2.550 -4.292 -16.256 1.00 0.00 N ATOM 726 CA GLU A 49 3.141 -3.053 -16.755 1.00 0.00 C ATOM 727 C GLU A 49 3.189 -3.055 -18.276 1.00 0.00 C ATOM 728 O GLU A 49 3.263 -4.116 -18.891 1.00 0.00 O ATOM 729 CB GLU A 49 4.535 -2.836 -16.164 1.00 0.00 C ATOM 730 CG GLU A 49 4.528 -2.520 -14.677 1.00 0.00 C ATOM 731 CD GLU A 49 3.867 -1.194 -14.373 1.00 0.00 C ATOM 732 OE1 GLU A 49 4.389 -0.143 -14.824 1.00 0.00 O ATOM 733 OE2 GLU A 49 2.841 -1.180 -13.674 1.00 0.00 O ATOM 0 H GLU A 49 3.186 -5.089 -16.254 1.00 0.00 H new ATOM 0 HA GLU A 49 2.510 -2.223 -16.437 1.00 0.00 H new ATOM 0 HB2 GLU A 49 5.135 -3.730 -16.333 1.00 0.00 H new ATOM 0 HB3 GLU A 49 5.023 -2.020 -16.697 1.00 0.00 H new ATOM 0 HG2 GLU A 49 4.007 -3.314 -14.142 1.00 0.00 H new ATOM 0 HG3 GLU A 49 5.553 -2.505 -14.306 1.00 0.00 H new ATOM 740 N ILE A 50 3.124 -1.878 -18.874 1.00 0.00 N ATOM 741 CA ILE A 50 3.122 -1.759 -20.324 1.00 0.00 C ATOM 742 C ILE A 50 4.458 -2.200 -20.904 1.00 0.00 C ATOM 743 O ILE A 50 5.521 -1.648 -20.567 1.00 0.00 O ATOM 744 CB ILE A 50 2.803 -0.318 -20.791 1.00 0.00 C ATOM 745 CG1 ILE A 50 1.413 0.110 -20.313 1.00 0.00 C ATOM 746 CG2 ILE A 50 2.901 -0.207 -22.312 1.00 0.00 C ATOM 747 CD1 ILE A 50 0.281 -0.734 -20.860 1.00 0.00 C ATOM 0 H ILE A 50 3.072 -0.988 -18.378 1.00 0.00 H new ATOM 0 HA ILE A 50 2.333 -2.415 -20.692 1.00 0.00 H new ATOM 0 HB ILE A 50 3.541 0.352 -20.350 1.00 0.00 H new ATOM 0 HG12 ILE A 50 1.387 0.070 -19.224 1.00 0.00 H new ATOM 0 HG13 ILE A 50 1.247 1.149 -20.598 1.00 0.00 H new ATOM 0 HG21 ILE A 50 2.673 0.814 -22.618 1.00 0.00 H new ATOM 0 HG22 ILE A 50 3.911 -0.464 -22.631 1.00 0.00 H new ATOM 0 HG23 ILE A 50 2.189 -0.891 -22.773 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -0.668 -0.364 -20.473 1.00 0.00 H new ATOM 0 HD12 ILE A 50 0.277 -0.675 -21.948 1.00 0.00 H new ATOM 0 HD13 ILE A 50 0.419 -1.771 -20.553 1.00 0.00 H new ATOM 759 N LEU A 51 4.397 -3.181 -21.772 1.00 0.00 N ATOM 760 CA LEU A 51 5.573 -3.739 -22.367 1.00 0.00 C ATOM 761 C LEU A 51 5.586 -3.413 -23.853 1.00 0.00 C ATOM 762 O LEU A 51 4.624 -3.702 -24.570 1.00 0.00 O ATOM 763 CB LEU A 51 5.602 -5.264 -22.112 1.00 0.00 C ATOM 764 CG LEU A 51 6.917 -6.026 -22.396 1.00 0.00 C ATOM 765 CD1 LEU A 51 7.203 -6.155 -23.883 1.00 0.00 C ATOM 766 CD2 LEU A 51 8.087 -5.369 -21.680 1.00 0.00 C ATOM 0 H LEU A 51 3.526 -3.611 -22.082 1.00 0.00 H new ATOM 0 HA LEU A 51 6.469 -3.308 -21.920 1.00 0.00 H new ATOM 0 HB2 LEU A 51 5.338 -5.432 -21.068 1.00 0.00 H new ATOM 0 HB3 LEU A 51 4.817 -5.718 -22.716 1.00 0.00 H new ATOM 0 HG LEU A 51 6.788 -7.036 -22.006 1.00 0.00 H new ATOM 0 HD11 LEU A 51 8.137 -6.698 -24.028 1.00 0.00 H new ATOM 0 HD12 LEU A 51 6.389 -6.698 -24.364 1.00 0.00 H new ATOM 0 HD13 LEU A 51 7.288 -5.162 -24.325 1.00 0.00 H new ATOM 0 HD21 LEU A 51 9.002 -5.922 -21.894 1.00 0.00 H new ATOM 0 HD22 LEU A 51 8.195 -4.341 -22.026 1.00 0.00 H new ATOM 0 HD23 LEU A 51 7.904 -5.372 -20.605 1.00 0.00 H new ATOM 778 N LEU A 52 6.661 -2.795 -24.299 1.00 0.00 N ATOM 779 CA LEU A 52 6.851 -2.489 -25.707 1.00 0.00 C ATOM 780 C LEU A 52 7.880 -3.450 -26.282 1.00 0.00 C ATOM 781 O LEU A 52 8.877 -3.754 -25.624 1.00 0.00 O ATOM 782 CB LEU A 52 7.321 -1.031 -25.920 1.00 0.00 C ATOM 783 CG LEU A 52 6.382 0.118 -25.491 1.00 0.00 C ATOM 784 CD1 LEU A 52 4.993 -0.041 -26.083 1.00 0.00 C ATOM 785 CD2 LEU A 52 6.326 0.281 -23.975 1.00 0.00 C ATOM 0 H LEU A 52 7.427 -2.490 -23.699 1.00 0.00 H new ATOM 0 HA LEU A 52 5.894 -2.602 -26.217 1.00 0.00 H new ATOM 0 HB2 LEU A 52 8.263 -0.905 -25.386 1.00 0.00 H new ATOM 0 HB3 LEU A 52 7.536 -0.904 -26.981 1.00 0.00 H new ATOM 0 HG LEU A 52 6.808 1.037 -25.895 1.00 0.00 H new ATOM 0 HD11 LEU A 52 4.362 0.786 -25.758 1.00 0.00 H new ATOM 0 HD12 LEU A 52 5.059 -0.042 -27.171 1.00 0.00 H new ATOM 0 HD13 LEU A 52 4.559 -0.982 -25.745 1.00 0.00 H new ATOM 0 HD21 LEU A 52 5.653 1.101 -23.722 1.00 0.00 H new ATOM 0 HD22 LEU A 52 5.961 -0.641 -23.523 1.00 0.00 H new ATOM 0 HD23 LEU A 52 7.324 0.500 -23.596 1.00 0.00 H new ATOM 797 N GLU A 53 7.651 -3.918 -27.505 1.00 0.00 N ATOM 798 CA GLU A 53 8.497 -4.947 -28.117 1.00 0.00 C ATOM 799 C GLU A 53 9.941 -4.470 -28.242 1.00 0.00 C ATOM 800 O GLU A 53 10.882 -5.241 -28.041 1.00 0.00 O ATOM 801 CB GLU A 53 7.982 -5.348 -29.512 1.00 0.00 C ATOM 802 CG GLU A 53 6.530 -5.814 -29.571 1.00 0.00 C ATOM 803 CD GLU A 53 5.558 -4.667 -29.747 1.00 0.00 C ATOM 804 OE1 GLU A 53 5.216 -3.997 -28.753 1.00 0.00 O ATOM 805 OE2 GLU A 53 5.139 -4.415 -30.897 1.00 0.00 O ATOM 0 H GLU A 53 6.883 -3.601 -28.098 1.00 0.00 H new ATOM 0 HA GLU A 53 8.457 -5.816 -27.460 1.00 0.00 H new ATOM 0 HB2 GLU A 53 8.099 -4.496 -30.181 1.00 0.00 H new ATOM 0 HB3 GLU A 53 8.617 -6.146 -29.898 1.00 0.00 H new ATOM 0 HG2 GLU A 53 6.411 -6.516 -30.396 1.00 0.00 H new ATOM 0 HG3 GLU A 53 6.288 -6.354 -28.655 1.00 0.00 H new ATOM 812 N ASN A 54 10.103 -3.202 -28.565 1.00 0.00 N ATOM 813 CA ASN A 54 11.421 -2.603 -28.772 1.00 0.00 C ATOM 814 C ASN A 54 12.164 -2.414 -27.439 1.00 0.00 C ATOM 815 O ASN A 54 13.379 -2.215 -27.412 1.00 0.00 O ATOM 816 CB ASN A 54 11.264 -1.252 -29.472 1.00 0.00 C ATOM 817 CG ASN A 54 12.581 -0.608 -29.882 1.00 0.00 C ATOM 818 OD1 ASN A 54 12.726 0.614 -29.812 1.00 0.00 O ATOM 819 ND2 ASN A 54 13.525 -1.396 -30.349 1.00 0.00 N ATOM 0 H ASN A 54 9.328 -2.551 -28.693 1.00 0.00 H new ATOM 0 HA ASN A 54 12.009 -3.277 -29.394 1.00 0.00 H new ATOM 0 HB2 ASN A 54 10.645 -1.384 -30.359 1.00 0.00 H new ATOM 0 HB3 ASN A 54 10.730 -0.571 -28.809 1.00 0.00 H new ATOM 0 HD21 ASN A 54 14.409 -0.999 -30.667 1.00 0.00 H new ATOM 0 HD22 ASN A 54 13.373 -2.404 -30.393 1.00 0.00 H new ATOM 826 N GLN A 55 11.429 -2.502 -26.342 1.00 0.00 N ATOM 827 CA GLN A 55 11.980 -2.269 -25.011 1.00 0.00 C ATOM 828 C GLN A 55 12.646 -3.509 -24.428 1.00 0.00 C ATOM 829 O GLN A 55 13.257 -3.447 -23.365 1.00 0.00 O ATOM 830 CB GLN A 55 10.923 -1.714 -24.065 1.00 0.00 C ATOM 831 CG GLN A 55 10.419 -0.341 -24.468 1.00 0.00 C ATOM 832 CD GLN A 55 11.503 0.711 -24.418 1.00 0.00 C ATOM 833 OE1 GLN A 55 12.218 0.929 -25.396 1.00 0.00 O ATOM 834 NE2 GLN A 55 11.615 1.385 -23.298 1.00 0.00 N ATOM 0 H GLN A 55 10.436 -2.736 -26.346 1.00 0.00 H new ATOM 0 HA GLN A 55 12.762 -1.518 -25.124 1.00 0.00 H new ATOM 0 HB2 GLN A 55 10.081 -2.405 -24.026 1.00 0.00 H new ATOM 0 HB3 GLN A 55 11.338 -1.660 -23.059 1.00 0.00 H new ATOM 0 HG2 GLN A 55 10.010 -0.389 -25.477 1.00 0.00 H new ATOM 0 HG3 GLN A 55 9.603 -0.049 -23.807 1.00 0.00 H new ATOM 0 HE21 GLN A 55 11.002 1.172 -22.511 1.00 0.00 H new ATOM 0 HE22 GLN A 55 12.315 2.122 -23.214 1.00 0.00 H new ATOM 843 N LEU A 56 12.506 -4.633 -25.106 1.00 0.00 N ATOM 844 CA LEU A 56 13.123 -5.875 -24.658 1.00 0.00 C ATOM 845 C LEU A 56 14.642 -5.784 -24.769 1.00 0.00 C ATOM 846 O LEU A 56 15.174 -5.257 -25.756 1.00 0.00 O ATOM 847 CB LEU A 56 12.618 -7.044 -25.509 1.00 0.00 C ATOM 848 CG LEU A 56 11.129 -7.374 -25.395 1.00 0.00 C ATOM 849 CD1 LEU A 56 10.751 -8.454 -26.393 1.00 0.00 C ATOM 850 CD2 LEU A 56 10.785 -7.821 -23.982 1.00 0.00 C ATOM 0 H LEU A 56 11.971 -4.715 -25.970 1.00 0.00 H new ATOM 0 HA LEU A 56 12.853 -6.041 -23.615 1.00 0.00 H new ATOM 0 HB2 LEU A 56 12.841 -6.828 -26.554 1.00 0.00 H new ATOM 0 HB3 LEU A 56 13.187 -7.934 -25.239 1.00 0.00 H new ATOM 0 HG LEU A 56 10.559 -6.472 -25.620 1.00 0.00 H new ATOM 0 HD11 LEU A 56 9.688 -8.679 -26.301 1.00 0.00 H new ATOM 0 HD12 LEU A 56 10.962 -8.105 -27.404 1.00 0.00 H new ATOM 0 HD13 LEU A 56 11.331 -9.355 -26.192 1.00 0.00 H new ATOM 0 HD21 LEU A 56 9.721 -8.051 -23.922 1.00 0.00 H new ATOM 0 HD22 LEU A 56 11.363 -8.710 -23.731 1.00 0.00 H new ATOM 0 HD23 LEU A 56 11.024 -7.022 -23.280 1.00 0.00 H new