USER MOD reduce.3.24.130724 H: found=0, std=0, add=405, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 407 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 20 THR OG1 : rot 82:sc= 0.268 USER MOD Set 1.2: A 21 ASN :FLIP amide:sc= -0.543 F(o=-1.1,f=-0.27) USER MOD Set 2.1: A 19 GLN : amide:sc= -0.0728 K(o=-0.071,f=-1.1) USER MOD Set 2.2: A 26 SER OG : rot -92:sc= 0.00181 USER MOD Single : A 14 LYS NZ :NH3+ 165:sc= -0.0493 (180deg=-0.269) USER MOD Single : A 16 ASN : amide:sc= -0.854 K(o=-0.85,f=-1.4!) USER MOD Single : A 18 GLN : amide:sc= 0 K(o=0,f=-0.8) USER MOD Single : A 28 SER OG : rot -15:sc= 1.02 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 36 THR OG1 : rot -55:sc= 0.221 USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 ASN : amide:sc= -0.326 X(o=-0.33,f=-0.032) USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 58 ASN : amide:sc= 0 K(o=0,f=-0.82) USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 116 N LEU A 9 -11.881 -4.275 -0.380 1.00 0.00 N ATOM 117 CA LEU A 9 -11.297 -3.065 0.190 1.00 0.00 C ATOM 118 C LEU A 9 -10.464 -2.329 -0.853 1.00 0.00 C ATOM 119 O LEU A 9 -9.407 -2.805 -1.266 1.00 0.00 O ATOM 120 CB LEU A 9 -10.433 -3.417 1.407 1.00 0.00 C ATOM 121 CG LEU A 9 -10.131 -2.254 2.361 1.00 0.00 C ATOM 122 CD1 LEU A 9 -9.631 -2.781 3.697 1.00 0.00 C ATOM 123 CD2 LEU A 9 -9.107 -1.305 1.753 1.00 0.00 C ATOM 0 HA LEU A 9 -12.106 -2.409 0.511 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -10.933 -4.205 1.970 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -9.488 -3.828 1.053 1.00 0.00 H new ATOM 0 HG LEU A 9 -11.056 -1.701 2.525 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -9.421 -1.944 4.363 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -10.393 -3.419 4.145 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -8.720 -3.359 3.542 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -8.910 -0.489 2.448 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -8.181 -1.846 1.556 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -9.496 -0.900 0.819 1.00 0.00 H new ATOM 135 N VAL A 10 -10.944 -1.163 -1.269 1.00 0.00 N ATOM 136 CA VAL A 10 -10.245 -0.360 -2.264 1.00 0.00 C ATOM 137 C VAL A 10 -9.502 0.797 -1.605 1.00 0.00 C ATOM 138 O VAL A 10 -10.017 1.434 -0.685 1.00 0.00 O ATOM 139 CB VAL A 10 -11.220 0.200 -3.316 1.00 0.00 C ATOM 140 CG1 VAL A 10 -10.461 0.879 -4.445 1.00 0.00 C ATOM 141 CG2 VAL A 10 -12.114 -0.908 -3.855 1.00 0.00 C ATOM 0 H VAL A 10 -11.815 -0.753 -0.932 1.00 0.00 H new ATOM 0 HA VAL A 10 -9.528 -1.015 -2.759 1.00 0.00 H new ATOM 0 HB VAL A 10 -11.852 0.948 -2.837 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -11.169 1.267 -5.177 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -9.868 1.700 -4.042 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -9.801 0.157 -4.926 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -12.797 -0.495 -4.597 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -11.498 -1.680 -4.317 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -12.687 -1.343 -3.037 1.00 0.00 H new ATOM 151 N VAL A 11 -8.287 1.061 -2.078 1.00 0.00 N ATOM 152 CA VAL A 11 -7.473 2.138 -1.530 1.00 0.00 C ATOM 153 C VAL A 11 -6.989 3.075 -2.637 1.00 0.00 C ATOM 154 O VAL A 11 -6.875 2.672 -3.796 1.00 0.00 O ATOM 155 CB VAL A 11 -6.263 1.580 -0.751 1.00 0.00 C ATOM 156 CG1 VAL A 11 -5.163 1.119 -1.697 1.00 0.00 C ATOM 157 CG2 VAL A 11 -5.737 2.613 0.231 1.00 0.00 C ATOM 0 H VAL A 11 -7.846 0.544 -2.839 1.00 0.00 H new ATOM 0 HA VAL A 11 -8.100 2.703 -0.841 1.00 0.00 H new ATOM 0 HB VAL A 11 -6.598 0.710 -0.186 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -4.324 0.731 -1.119 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -5.548 0.334 -2.348 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -4.827 1.961 -2.303 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -4.884 2.201 0.771 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -5.426 3.506 -0.312 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -6.523 2.875 0.940 1.00 0.00 H new ATOM 167 N ARG A 12 -6.705 4.324 -2.276 1.00 0.00 N ATOM 168 CA ARG A 12 -6.241 5.313 -3.245 1.00 0.00 C ATOM 169 C ARG A 12 -4.978 6.015 -2.754 1.00 0.00 C ATOM 170 O ARG A 12 -4.959 6.596 -1.667 1.00 0.00 O ATOM 171 CB ARG A 12 -7.343 6.339 -3.521 1.00 0.00 C ATOM 172 CG ARG A 12 -7.024 7.300 -4.658 1.00 0.00 C ATOM 173 CD ARG A 12 -6.338 8.561 -4.154 1.00 0.00 C ATOM 174 NE ARG A 12 -7.186 9.314 -3.234 1.00 0.00 N ATOM 175 CZ ARG A 12 -6.891 10.533 -2.789 1.00 0.00 C ATOM 176 NH1 ARG A 12 -5.777 11.136 -3.183 1.00 0.00 N ATOM 177 NH2 ARG A 12 -7.714 11.148 -1.952 1.00 0.00 N ATOM 0 H ARG A 12 -6.788 4.675 -1.322 1.00 0.00 H new ATOM 0 HA ARG A 12 -5.999 4.792 -4.171 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -8.267 5.810 -3.754 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -7.525 6.914 -2.613 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -6.382 6.803 -5.385 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -7.944 7.569 -5.176 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -5.408 8.292 -3.653 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -6.072 9.193 -5.002 1.00 0.00 H new ATOM 0 HE ARG A 12 -8.053 8.881 -2.915 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -5.143 10.665 -3.829 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -5.554 12.070 -2.840 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -8.572 10.687 -1.650 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -7.489 12.082 -1.610 1.00 0.00 H new ATOM 191 N ALA A 13 -3.928 5.955 -3.565 1.00 0.00 N ATOM 192 CA ALA A 13 -2.655 6.581 -3.228 1.00 0.00 C ATOM 193 C ALA A 13 -2.807 8.089 -3.050 1.00 0.00 C ATOM 194 O ALA A 13 -3.276 8.785 -3.951 1.00 0.00 O ATOM 195 CB ALA A 13 -1.626 6.279 -4.306 1.00 0.00 C ATOM 0 H ALA A 13 -3.934 5.476 -4.466 1.00 0.00 H new ATOM 0 HA ALA A 13 -2.314 6.166 -2.279 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -0.678 6.750 -4.046 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -1.486 5.201 -4.383 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -1.975 6.669 -5.262 1.00 0.00 H new ATOM 201 N LYS A 14 -2.401 8.588 -1.886 1.00 0.00 N ATOM 202 CA LYS A 14 -2.489 10.016 -1.595 1.00 0.00 C ATOM 203 C LYS A 14 -1.181 10.722 -1.939 1.00 0.00 C ATOM 204 O LYS A 14 -1.167 11.684 -2.707 1.00 0.00 O ATOM 205 CB LYS A 14 -2.830 10.242 -0.120 1.00 0.00 C ATOM 206 CG LYS A 14 -4.211 9.738 0.271 1.00 0.00 C ATOM 207 CD LYS A 14 -4.495 9.967 1.749 1.00 0.00 C ATOM 208 CE LYS A 14 -4.557 11.449 2.088 1.00 0.00 C ATOM 209 NZ LYS A 14 -5.626 12.150 1.327 1.00 0.00 N ATOM 0 H LYS A 14 -2.009 8.026 -1.130 1.00 0.00 H new ATOM 0 HA LYS A 14 -3.284 10.437 -2.211 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -2.083 9.744 0.497 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -2.766 11.308 0.100 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -4.967 10.246 -0.328 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -4.288 8.674 0.046 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -5.440 9.493 2.016 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -3.719 9.489 2.347 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -4.734 11.569 3.157 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -3.594 11.911 1.870 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -5.807 13.079 1.759 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -5.322 12.280 0.341 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -6.497 11.582 1.349 1.00 0.00 H new ATOM 223 N PHE A 15 -0.082 10.238 -1.365 1.00 0.00 N ATOM 224 CA PHE A 15 1.231 10.824 -1.612 1.00 0.00 C ATOM 225 C PHE A 15 2.003 10.015 -2.649 1.00 0.00 C ATOM 226 O PHE A 15 1.688 8.853 -2.904 1.00 0.00 O ATOM 227 CB PHE A 15 2.037 10.895 -0.311 1.00 0.00 C ATOM 228 CG PHE A 15 1.282 11.500 0.839 1.00 0.00 C ATOM 229 CD1 PHE A 15 0.779 12.789 0.758 1.00 0.00 C ATOM 230 CD2 PHE A 15 1.074 10.775 2.002 1.00 0.00 C ATOM 231 CE1 PHE A 15 0.086 13.344 1.817 1.00 0.00 C ATOM 232 CE2 PHE A 15 0.382 11.325 3.063 1.00 0.00 C ATOM 233 CZ PHE A 15 -0.113 12.611 2.971 1.00 0.00 C ATOM 0 H PHE A 15 -0.076 9.443 -0.727 1.00 0.00 H new ATOM 0 HA PHE A 15 1.080 11.832 -1.997 1.00 0.00 H new ATOM 0 HB2 PHE A 15 2.354 9.889 -0.036 1.00 0.00 H new ATOM 0 HB3 PHE A 15 2.941 11.478 -0.486 1.00 0.00 H new ATOM 0 HD1 PHE A 15 0.930 13.366 -0.142 1.00 0.00 H new ATOM 0 HD2 PHE A 15 1.458 9.768 2.079 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -0.300 14.350 1.743 1.00 0.00 H new ATOM 0 HE2 PHE A 15 0.228 10.750 3.964 1.00 0.00 H new ATOM 0 HZ PHE A 15 -0.655 13.043 3.800 1.00 0.00 H new ATOM 243 N ASN A 16 3.013 10.640 -3.247 1.00 0.00 N ATOM 244 CA ASN A 16 3.836 9.978 -4.251 1.00 0.00 C ATOM 245 C ASN A 16 4.812 9.009 -3.593 1.00 0.00 C ATOM 246 O ASN A 16 5.252 9.228 -2.464 1.00 0.00 O ATOM 247 CB ASN A 16 4.601 11.012 -5.082 1.00 0.00 C ATOM 248 CG ASN A 16 5.354 12.011 -4.223 1.00 0.00 C ATOM 249 OD1 ASN A 16 5.788 11.696 -3.115 1.00 0.00 O ATOM 250 ND2 ASN A 16 5.510 13.227 -4.732 1.00 0.00 N ATOM 0 H ASN A 16 3.280 11.605 -3.053 1.00 0.00 H new ATOM 0 HA ASN A 16 3.178 9.413 -4.912 1.00 0.00 H new ATOM 0 HB2 ASN A 16 5.305 10.498 -5.736 1.00 0.00 H new ATOM 0 HB3 ASN A 16 3.901 11.546 -5.724 1.00 0.00 H new ATOM 0 HD21 ASN A 16 6.006 13.943 -4.200 1.00 0.00 H new ATOM 0 HD22 ASN A 16 5.134 13.446 -5.655 1.00 0.00 H new ATOM 257 N PHE A 17 5.142 7.931 -4.297 1.00 0.00 N ATOM 258 CA PHE A 17 6.067 6.936 -3.768 1.00 0.00 C ATOM 259 C PHE A 17 6.912 6.325 -4.882 1.00 0.00 C ATOM 260 O PHE A 17 6.401 5.992 -5.952 1.00 0.00 O ATOM 261 CB PHE A 17 5.295 5.839 -3.035 1.00 0.00 C ATOM 262 CG PHE A 17 6.091 5.164 -1.956 1.00 0.00 C ATOM 263 CD1 PHE A 17 7.117 4.289 -2.274 1.00 0.00 C ATOM 264 CD2 PHE A 17 5.815 5.409 -0.620 1.00 0.00 C ATOM 265 CE1 PHE A 17 7.852 3.670 -1.281 1.00 0.00 C ATOM 266 CE2 PHE A 17 6.546 4.794 0.377 1.00 0.00 C ATOM 267 CZ PHE A 17 7.566 3.923 0.047 1.00 0.00 C ATOM 0 H PHE A 17 4.785 7.725 -5.230 1.00 0.00 H new ATOM 0 HA PHE A 17 6.737 7.434 -3.067 1.00 0.00 H new ATOM 0 HB2 PHE A 17 4.396 6.270 -2.596 1.00 0.00 H new ATOM 0 HB3 PHE A 17 4.969 5.090 -3.757 1.00 0.00 H new ATOM 0 HD1 PHE A 17 7.345 4.088 -3.310 1.00 0.00 H new ATOM 0 HD2 PHE A 17 5.019 6.089 -0.356 1.00 0.00 H new ATOM 0 HE1 PHE A 17 8.649 2.989 -1.542 1.00 0.00 H new ATOM 0 HE2 PHE A 17 6.320 4.994 1.414 1.00 0.00 H new ATOM 0 HZ PHE A 17 8.139 3.441 0.825 1.00 0.00 H new ATOM 277 N GLN A 18 8.208 6.181 -4.622 1.00 0.00 N ATOM 278 CA GLN A 18 9.129 5.609 -5.598 1.00 0.00 C ATOM 279 C GLN A 18 9.651 4.255 -5.122 1.00 0.00 C ATOM 280 O GLN A 18 9.813 4.030 -3.922 1.00 0.00 O ATOM 281 CB GLN A 18 10.298 6.564 -5.848 1.00 0.00 C ATOM 282 CG GLN A 18 9.869 7.923 -6.378 1.00 0.00 C ATOM 283 CD GLN A 18 11.032 8.884 -6.536 1.00 0.00 C ATOM 284 OE1 GLN A 18 12.022 8.803 -5.809 1.00 0.00 O ATOM 285 NE2 GLN A 18 10.916 9.803 -7.489 1.00 0.00 N ATOM 0 H GLN A 18 8.645 6.453 -3.741 1.00 0.00 H new ATOM 0 HA GLN A 18 8.587 5.461 -6.532 1.00 0.00 H new ATOM 0 HB2 GLN A 18 10.848 6.703 -4.918 1.00 0.00 H new ATOM 0 HB3 GLN A 18 10.985 6.106 -6.559 1.00 0.00 H new ATOM 0 HG2 GLN A 18 9.377 7.794 -7.342 1.00 0.00 H new ATOM 0 HG3 GLN A 18 9.134 8.357 -5.700 1.00 0.00 H new ATOM 0 HE21 GLN A 18 10.077 9.834 -8.069 1.00 0.00 H new ATOM 0 HE22 GLN A 18 11.666 10.478 -7.641 1.00 0.00 H new ATOM 294 N GLN A 19 9.912 3.358 -6.070 1.00 0.00 N ATOM 295 CA GLN A 19 10.409 2.025 -5.745 1.00 0.00 C ATOM 296 C GLN A 19 11.902 1.904 -6.036 1.00 0.00 C ATOM 297 O GLN A 19 12.513 2.815 -6.594 1.00 0.00 O ATOM 298 CB GLN A 19 9.640 0.964 -6.538 1.00 0.00 C ATOM 299 CG GLN A 19 9.869 1.040 -8.040 1.00 0.00 C ATOM 300 CD GLN A 19 9.138 -0.051 -8.798 1.00 0.00 C ATOM 301 OE1 GLN A 19 8.071 -0.504 -8.382 1.00 0.00 O ATOM 302 NE2 GLN A 19 9.712 -0.482 -9.916 1.00 0.00 N ATOM 0 H GLN A 19 9.788 3.530 -7.068 1.00 0.00 H new ATOM 0 HA GLN A 19 10.253 1.863 -4.678 1.00 0.00 H new ATOM 0 HB2 GLN A 19 9.932 -0.025 -6.184 1.00 0.00 H new ATOM 0 HB3 GLN A 19 8.574 1.073 -6.336 1.00 0.00 H new ATOM 0 HG2 GLN A 19 9.541 2.013 -8.405 1.00 0.00 H new ATOM 0 HG3 GLN A 19 10.937 0.966 -8.245 1.00 0.00 H new ATOM 0 HE21 GLN A 19 10.597 -0.078 -10.224 1.00 0.00 H new ATOM 0 HE22 GLN A 19 9.268 -1.217 -10.467 1.00 0.00 H new ATOM 311 N THR A 20 12.479 0.770 -5.653 1.00 0.00 N ATOM 312 CA THR A 20 13.898 0.517 -5.873 1.00 0.00 C ATOM 313 C THR A 20 14.100 -0.752 -6.693 1.00 0.00 C ATOM 314 O THR A 20 15.141 -0.939 -7.322 1.00 0.00 O ATOM 315 CB THR A 20 14.659 0.379 -4.542 1.00 0.00 C ATOM 316 OG1 THR A 20 14.065 -0.647 -3.739 1.00 0.00 O ATOM 317 CG2 THR A 20 14.652 1.695 -3.778 1.00 0.00 C ATOM 0 H THR A 20 11.984 0.009 -5.187 1.00 0.00 H new ATOM 0 HA THR A 20 14.294 1.373 -6.419 1.00 0.00 H new ATOM 0 HB THR A 20 15.691 0.110 -4.766 1.00 0.00 H new ATOM 0 HG1 THR A 20 14.393 -1.523 -4.032 1.00 0.00 H new ATOM 0 HG21 THR A 20 15.195 1.574 -2.841 1.00 0.00 H new ATOM 0 HG22 THR A 20 15.132 2.467 -4.379 1.00 0.00 H new ATOM 0 HG23 THR A 20 13.624 1.987 -3.566 1.00 0.00 H new ATOM 325 N ASN A 21 13.090 -1.616 -6.682 1.00 0.00 N ATOM 326 CA ASN A 21 13.142 -2.872 -7.423 1.00 0.00 C ATOM 327 C ASN A 21 11.739 -3.309 -7.836 1.00 0.00 C ATOM 328 O ASN A 21 10.764 -2.595 -7.603 1.00 0.00 O ATOM 329 CB ASN A 21 13.799 -3.965 -6.577 1.00 0.00 C ATOM 330 CG ASN A 21 15.247 -3.656 -6.251 1.00 0.00 C ATOM 331 OD1 ASN A 21 15.469 -2.973 -5.135 1.00 0.00 O flip ATOM 332 ND2 ASN A 21 16.155 -4.028 -6.994 1.00 0.00 N flip ATOM 0 H ASN A 21 12.222 -1.469 -6.166 1.00 0.00 H new ATOM 0 HA ASN A 21 13.739 -2.713 -8.321 1.00 0.00 H new ATOM 0 HB2 ASN A 21 13.239 -4.088 -5.650 1.00 0.00 H new ATOM 0 HB3 ASN A 21 13.745 -4.914 -7.110 1.00 0.00 H new ATOM 0 HD21 ASN A 21 15.938 -4.551 -7.842 1.00 0.00 H new ATOM 0 HD22 ASN A 21 17.125 -3.813 -6.761 1.00 0.00 H new ATOM 339 N GLU A 22 11.645 -4.485 -8.448 1.00 0.00 N ATOM 340 CA GLU A 22 10.361 -5.015 -8.891 1.00 0.00 C ATOM 341 C GLU A 22 9.629 -5.701 -7.743 1.00 0.00 C ATOM 342 O GLU A 22 8.563 -6.284 -7.932 1.00 0.00 O ATOM 343 CB GLU A 22 10.562 -5.999 -10.046 1.00 0.00 C ATOM 344 CG GLU A 22 11.219 -5.378 -11.269 1.00 0.00 C ATOM 345 CD GLU A 22 10.401 -4.248 -11.863 1.00 0.00 C ATOM 346 OE1 GLU A 22 10.577 -3.093 -11.422 1.00 0.00 O ATOM 347 OE2 GLU A 22 9.585 -4.518 -12.769 1.00 0.00 O ATOM 0 H GLU A 22 12.442 -5.089 -8.648 1.00 0.00 H new ATOM 0 HA GLU A 22 9.752 -4.180 -9.237 1.00 0.00 H new ATOM 0 HB2 GLU A 22 11.173 -6.832 -9.700 1.00 0.00 H new ATOM 0 HB3 GLU A 22 9.595 -6.411 -10.334 1.00 0.00 H new ATOM 0 HG2 GLU A 22 12.205 -5.002 -10.995 1.00 0.00 H new ATOM 0 HG3 GLU A 22 11.370 -6.148 -12.025 1.00 0.00 H new ATOM 354 N ASP A 23 10.211 -5.626 -6.549 1.00 0.00 N ATOM 355 CA ASP A 23 9.614 -6.235 -5.367 1.00 0.00 C ATOM 356 C ASP A 23 8.601 -5.291 -4.727 1.00 0.00 C ATOM 357 O ASP A 23 7.593 -5.729 -4.172 1.00 0.00 O ATOM 358 CB ASP A 23 10.698 -6.605 -4.353 1.00 0.00 C ATOM 359 CG ASP A 23 10.136 -7.323 -3.142 1.00 0.00 C ATOM 360 OD1 ASP A 23 9.671 -6.637 -2.206 1.00 0.00 O ATOM 361 OD2 ASP A 23 10.161 -8.571 -3.127 1.00 0.00 O ATOM 0 H ASP A 23 11.096 -5.149 -6.376 1.00 0.00 H new ATOM 0 HA ASP A 23 9.096 -7.142 -5.677 1.00 0.00 H new ATOM 0 HB2 ASP A 23 11.442 -7.239 -4.835 1.00 0.00 H new ATOM 0 HB3 ASP A 23 11.213 -5.700 -4.029 1.00 0.00 H new ATOM 366 N GLU A 24 8.877 -3.992 -4.812 1.00 0.00 N ATOM 367 CA GLU A 24 7.990 -2.983 -4.244 1.00 0.00 C ATOM 368 C GLU A 24 7.090 -2.390 -5.324 1.00 0.00 C ATOM 369 O GLU A 24 7.453 -2.361 -6.500 1.00 0.00 O ATOM 370 CB GLU A 24 8.801 -1.872 -3.576 1.00 0.00 C ATOM 371 CG GLU A 24 7.951 -0.890 -2.785 1.00 0.00 C ATOM 372 CD GLU A 24 8.758 0.263 -2.225 1.00 0.00 C ATOM 373 OE1 GLU A 24 8.979 1.245 -2.965 1.00 0.00 O ATOM 374 OE2 GLU A 24 9.171 0.185 -1.049 1.00 0.00 O ATOM 0 H GLU A 24 9.707 -3.615 -5.269 1.00 0.00 H new ATOM 0 HA GLU A 24 7.365 -3.465 -3.492 1.00 0.00 H new ATOM 0 HB2 GLU A 24 9.537 -2.321 -2.910 1.00 0.00 H new ATOM 0 HB3 GLU A 24 9.354 -1.327 -4.341 1.00 0.00 H new ATOM 0 HG2 GLU A 24 7.163 -0.498 -3.428 1.00 0.00 H new ATOM 0 HG3 GLU A 24 7.462 -1.417 -1.966 1.00 0.00 H new ATOM 381 N LEU A 25 5.915 -1.923 -4.917 1.00 0.00 N ATOM 382 CA LEU A 25 4.960 -1.337 -5.850 1.00 0.00 C ATOM 383 C LEU A 25 5.044 0.188 -5.834 1.00 0.00 C ATOM 384 O LEU A 25 4.828 0.821 -4.800 1.00 0.00 O ATOM 385 CB LEU A 25 3.539 -1.790 -5.498 1.00 0.00 C ATOM 386 CG LEU A 25 2.546 -1.804 -6.663 1.00 0.00 C ATOM 387 CD1 LEU A 25 1.342 -2.670 -6.327 1.00 0.00 C ATOM 388 CD2 LEU A 25 2.102 -0.391 -7.004 1.00 0.00 C ATOM 0 H LEU A 25 5.601 -1.939 -3.947 1.00 0.00 H new ATOM 0 HA LEU A 25 5.208 -1.680 -6.854 1.00 0.00 H new ATOM 0 HB2 LEU A 25 3.590 -2.793 -5.075 1.00 0.00 H new ATOM 0 HB3 LEU A 25 3.150 -1.135 -4.719 1.00 0.00 H new ATOM 0 HG LEU A 25 3.046 -2.228 -7.534 1.00 0.00 H new ATOM 0 HD11 LEU A 25 0.647 -2.668 -7.167 1.00 0.00 H new ATOM 0 HD12 LEU A 25 1.671 -3.690 -6.131 1.00 0.00 H new ATOM 0 HD13 LEU A 25 0.844 -2.273 -5.443 1.00 0.00 H new ATOM 0 HD21 LEU A 25 1.397 -0.422 -7.834 1.00 0.00 H new ATOM 0 HD22 LEU A 25 1.621 0.059 -6.135 1.00 0.00 H new ATOM 0 HD23 LEU A 25 2.970 0.205 -7.287 1.00 0.00 H new ATOM 400 N SER A 26 5.364 0.768 -6.986 1.00 0.00 N ATOM 401 CA SER A 26 5.463 2.218 -7.113 1.00 0.00 C ATOM 402 C SER A 26 4.131 2.799 -7.575 1.00 0.00 C ATOM 403 O SER A 26 3.364 2.129 -8.262 1.00 0.00 O ATOM 404 CB SER A 26 6.566 2.591 -8.105 1.00 0.00 C ATOM 405 OG SER A 26 6.309 2.038 -9.383 1.00 0.00 O ATOM 0 H SER A 26 5.559 0.256 -7.846 1.00 0.00 H new ATOM 0 HA SER A 26 5.712 2.635 -6.137 1.00 0.00 H new ATOM 0 HB2 SER A 26 6.638 3.676 -8.182 1.00 0.00 H new ATOM 0 HB3 SER A 26 7.527 2.233 -7.737 1.00 0.00 H new ATOM 0 HG SER A 26 6.741 1.161 -9.453 1.00 0.00 H new ATOM 411 N PHE A 27 3.854 4.040 -7.196 1.00 0.00 N ATOM 412 CA PHE A 27 2.602 4.680 -7.585 1.00 0.00 C ATOM 413 C PHE A 27 2.644 6.187 -7.368 1.00 0.00 C ATOM 414 O PHE A 27 3.531 6.709 -6.692 1.00 0.00 O ATOM 415 CB PHE A 27 1.435 4.078 -6.801 1.00 0.00 C ATOM 416 CG PHE A 27 1.694 3.978 -5.325 1.00 0.00 C ATOM 417 CD1 PHE A 27 1.598 5.097 -4.512 1.00 0.00 C ATOM 418 CD2 PHE A 27 2.036 2.764 -4.750 1.00 0.00 C ATOM 419 CE1 PHE A 27 1.839 5.006 -3.154 1.00 0.00 C ATOM 420 CE2 PHE A 27 2.277 2.668 -3.394 1.00 0.00 C ATOM 421 CZ PHE A 27 2.178 3.790 -2.593 1.00 0.00 C ATOM 0 H PHE A 27 4.471 4.619 -6.626 1.00 0.00 H new ATOM 0 HA PHE A 27 2.460 4.498 -8.650 1.00 0.00 H new ATOM 0 HB2 PHE A 27 0.545 4.686 -6.965 1.00 0.00 H new ATOM 0 HB3 PHE A 27 1.219 3.084 -7.192 1.00 0.00 H new ATOM 0 HD1 PHE A 27 1.332 6.050 -4.945 1.00 0.00 H new ATOM 0 HD2 PHE A 27 2.115 1.883 -5.370 1.00 0.00 H new ATOM 0 HE1 PHE A 27 1.762 5.885 -2.532 1.00 0.00 H new ATOM 0 HE2 PHE A 27 2.543 1.716 -2.959 1.00 0.00 H new ATOM 0 HZ PHE A 27 2.365 3.716 -1.532 1.00 0.00 H new ATOM 431 N SER A 28 1.669 6.875 -7.951 1.00 0.00 N ATOM 432 CA SER A 28 1.562 8.323 -7.829 1.00 0.00 C ATOM 433 C SER A 28 0.136 8.717 -7.463 1.00 0.00 C ATOM 434 O SER A 28 -0.801 7.950 -7.686 1.00 0.00 O ATOM 435 CB SER A 28 1.973 8.999 -9.138 1.00 0.00 C ATOM 436 OG SER A 28 1.132 8.597 -10.206 1.00 0.00 O ATOM 0 H SER A 28 0.936 6.448 -8.517 1.00 0.00 H new ATOM 0 HA SER A 28 2.234 8.655 -7.037 1.00 0.00 H new ATOM 0 HB2 SER A 28 1.926 10.082 -9.022 1.00 0.00 H new ATOM 0 HB3 SER A 28 3.008 8.748 -9.371 1.00 0.00 H new ATOM 0 HG SER A 28 0.630 7.797 -9.944 1.00 0.00 H new ATOM 442 N LYS A 29 -0.019 9.908 -6.890 1.00 0.00 N ATOM 443 CA LYS A 29 -1.333 10.409 -6.493 1.00 0.00 C ATOM 444 C LYS A 29 -2.369 10.185 -7.593 1.00 0.00 C ATOM 445 O LYS A 29 -2.446 10.957 -8.549 1.00 0.00 O ATOM 446 CB LYS A 29 -1.247 11.900 -6.153 1.00 0.00 C ATOM 447 CG LYS A 29 -2.564 12.494 -5.678 1.00 0.00 C ATOM 448 CD LYS A 29 -2.439 13.986 -5.417 1.00 0.00 C ATOM 449 CE LYS A 29 -3.738 14.567 -4.878 1.00 0.00 C ATOM 450 NZ LYS A 29 -3.642 16.036 -4.655 1.00 0.00 N ATOM 0 H LYS A 29 0.751 10.546 -6.690 1.00 0.00 H new ATOM 0 HA LYS A 29 -1.651 9.854 -5.610 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -0.493 12.045 -5.379 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -0.909 12.446 -7.034 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -3.335 12.318 -6.428 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -2.884 11.989 -4.766 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -1.635 14.166 -4.704 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -2.166 14.497 -6.340 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -4.547 14.359 -5.579 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -3.994 14.074 -3.940 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -4.548 16.391 -4.288 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -2.888 16.234 -3.967 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -3.423 16.510 -5.554 1.00 0.00 H new ATOM 464 N GLY A 30 -3.158 9.121 -7.457 1.00 0.00 N ATOM 465 CA GLY A 30 -4.176 8.826 -8.450 1.00 0.00 C ATOM 466 C GLY A 30 -4.349 7.338 -8.702 1.00 0.00 C ATOM 467 O GLY A 30 -5.474 6.845 -8.779 1.00 0.00 O ATOM 0 H GLY A 30 -3.110 8.461 -6.680 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -5.127 9.246 -8.122 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -3.915 9.319 -9.386 1.00 0.00 H new ATOM 471 N ASP A 31 -3.233 6.623 -8.833 1.00 0.00 N ATOM 472 CA ASP A 31 -3.271 5.186 -9.087 1.00 0.00 C ATOM 473 C ASP A 31 -4.039 4.451 -7.991 1.00 0.00 C ATOM 474 O ASP A 31 -3.722 4.573 -6.808 1.00 0.00 O ATOM 475 CB ASP A 31 -1.849 4.624 -9.193 1.00 0.00 C ATOM 476 CG ASP A 31 -1.050 5.275 -10.303 1.00 0.00 C ATOM 477 OD1 ASP A 31 -0.506 6.375 -10.076 1.00 0.00 O ATOM 478 OD2 ASP A 31 -0.967 4.683 -11.401 1.00 0.00 O ATOM 0 H ASP A 31 -2.294 7.015 -8.767 1.00 0.00 H new ATOM 0 HA ASP A 31 -3.789 5.029 -10.033 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -1.332 4.770 -8.244 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -1.898 3.549 -9.367 1.00 0.00 H new ATOM 483 N VAL A 32 -5.052 3.688 -8.396 1.00 0.00 N ATOM 484 CA VAL A 32 -5.864 2.929 -7.451 1.00 0.00 C ATOM 485 C VAL A 32 -5.272 1.543 -7.235 1.00 0.00 C ATOM 486 O VAL A 32 -4.744 0.936 -8.165 1.00 0.00 O ATOM 487 CB VAL A 32 -7.319 2.786 -7.938 1.00 0.00 C ATOM 488 CG1 VAL A 32 -8.192 2.186 -6.848 1.00 0.00 C ATOM 489 CG2 VAL A 32 -7.866 4.131 -8.391 1.00 0.00 C ATOM 0 H VAL A 32 -5.329 3.580 -9.372 1.00 0.00 H new ATOM 0 HA VAL A 32 -5.865 3.481 -6.511 1.00 0.00 H new ATOM 0 HB VAL A 32 -7.331 2.109 -8.792 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -9.215 2.093 -7.211 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -7.812 1.201 -6.579 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -8.176 2.833 -5.971 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -8.894 4.010 -8.731 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -7.840 4.834 -7.558 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -7.256 4.515 -9.209 1.00 0.00 H new ATOM 499 N ILE A 33 -5.365 1.040 -6.008 1.00 0.00 N ATOM 500 CA ILE A 33 -4.816 -0.273 -5.686 1.00 0.00 C ATOM 501 C ILE A 33 -5.815 -1.137 -4.921 1.00 0.00 C ATOM 502 O ILE A 33 -6.468 -0.673 -3.985 1.00 0.00 O ATOM 503 CB ILE A 33 -3.521 -0.141 -4.856 1.00 0.00 C ATOM 504 CG1 ILE A 33 -2.468 0.642 -5.642 1.00 0.00 C ATOM 505 CG2 ILE A 33 -2.988 -1.515 -4.470 1.00 0.00 C ATOM 506 CD1 ILE A 33 -1.347 1.181 -4.779 1.00 0.00 C ATOM 0 H ILE A 33 -5.812 1.517 -5.225 1.00 0.00 H new ATOM 0 HA ILE A 33 -4.593 -0.760 -6.636 1.00 0.00 H new ATOM 0 HB ILE A 33 -3.750 0.404 -3.940 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -2.045 -0.004 -6.411 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -2.952 1.473 -6.155 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -2.075 -1.400 -3.886 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -3.735 -2.041 -3.876 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -2.772 -2.088 -5.372 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -0.637 1.725 -5.402 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -1.758 1.853 -4.026 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -0.837 0.353 -4.286 1.00 0.00 H new ATOM 518 N HIS A 34 -5.931 -2.395 -5.335 1.00 0.00 N ATOM 519 CA HIS A 34 -6.834 -3.339 -4.686 1.00 0.00 C ATOM 520 C HIS A 34 -6.078 -4.169 -3.652 1.00 0.00 C ATOM 521 O HIS A 34 -5.125 -4.873 -3.987 1.00 0.00 O ATOM 522 CB HIS A 34 -7.484 -4.259 -5.722 1.00 0.00 C ATOM 523 CG HIS A 34 -8.323 -3.533 -6.728 1.00 0.00 C ATOM 524 ND1 HIS A 34 -7.841 -3.117 -7.952 1.00 0.00 N ATOM 525 CD2 HIS A 34 -9.622 -3.152 -6.688 1.00 0.00 C ATOM 526 CE1 HIS A 34 -8.807 -2.510 -8.620 1.00 0.00 C ATOM 527 NE2 HIS A 34 -9.896 -2.519 -7.876 1.00 0.00 N ATOM 0 H HIS A 34 -5.409 -2.785 -6.120 1.00 0.00 H new ATOM 0 HA HIS A 34 -7.617 -2.774 -4.181 1.00 0.00 H new ATOM 0 HB2 HIS A 34 -6.704 -4.812 -6.244 1.00 0.00 H new ATOM 0 HB3 HIS A 34 -8.104 -4.992 -5.206 1.00 0.00 H new ATOM 0 HD2 HIS A 34 -10.313 -3.315 -5.874 1.00 0.00 H new ATOM 0 HE1 HIS A 34 -8.719 -2.080 -9.607 1.00 0.00 H new ATOM 0 HE2 HIS A 34 -10.797 -2.120 -8.140 1.00 0.00 H new ATOM 536 N VAL A 35 -6.505 -4.083 -2.398 1.00 0.00 N ATOM 537 CA VAL A 35 -5.857 -4.820 -1.319 1.00 0.00 C ATOM 538 C VAL A 35 -6.201 -6.305 -1.373 1.00 0.00 C ATOM 539 O VAL A 35 -7.343 -6.682 -1.633 1.00 0.00 O ATOM 540 CB VAL A 35 -6.253 -4.263 0.061 1.00 0.00 C ATOM 541 CG1 VAL A 35 -5.406 -4.895 1.156 1.00 0.00 C ATOM 542 CG2 VAL A 35 -6.123 -2.748 0.084 1.00 0.00 C ATOM 0 H VAL A 35 -7.296 -3.511 -2.103 1.00 0.00 H new ATOM 0 HA VAL A 35 -4.783 -4.697 -1.459 1.00 0.00 H new ATOM 0 HB VAL A 35 -7.296 -4.517 0.248 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -5.700 -4.489 2.124 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -5.556 -5.975 1.155 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -4.354 -4.675 0.975 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -6.407 -2.373 1.067 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -5.091 -2.468 -0.127 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -6.778 -2.315 -0.672 1.00 0.00 H new ATOM 552 N THR A 36 -5.199 -7.143 -1.124 1.00 0.00 N ATOM 553 CA THR A 36 -5.385 -8.588 -1.137 1.00 0.00 C ATOM 554 C THR A 36 -5.112 -9.177 0.243 1.00 0.00 C ATOM 555 O THR A 36 -5.442 -10.331 0.515 1.00 0.00 O ATOM 556 CB THR A 36 -4.462 -9.264 -2.165 1.00 0.00 C ATOM 557 OG1 THR A 36 -3.091 -9.002 -1.840 1.00 0.00 O ATOM 558 CG2 THR A 36 -4.757 -8.763 -3.571 1.00 0.00 C ATOM 0 H THR A 36 -4.248 -6.844 -0.910 1.00 0.00 H new ATOM 0 HA THR A 36 -6.421 -8.778 -1.417 1.00 0.00 H new ATOM 0 HB THR A 36 -4.646 -10.338 -2.132 1.00 0.00 H new ATOM 0 HG1 THR A 36 -2.949 -8.034 -1.776 1.00 0.00 H new ATOM 0 HG21 THR A 36 -4.092 -9.256 -4.280 1.00 0.00 H new ATOM 0 HG22 THR A 36 -5.792 -8.989 -3.828 1.00 0.00 H new ATOM 0 HG23 THR A 36 -4.599 -7.685 -3.614 1.00 0.00 H new ATOM 566 N ARG A 37 -4.508 -8.368 1.109 1.00 0.00 N ATOM 567 CA ARG A 37 -4.182 -8.790 2.466 1.00 0.00 C ATOM 568 C ARG A 37 -4.225 -7.602 3.419 1.00 0.00 C ATOM 569 O ARG A 37 -3.501 -6.623 3.237 1.00 0.00 O ATOM 570 CB ARG A 37 -2.795 -9.435 2.509 1.00 0.00 C ATOM 571 CG ARG A 37 -2.713 -10.762 1.778 1.00 0.00 C ATOM 572 CD ARG A 37 -1.281 -11.266 1.708 1.00 0.00 C ATOM 573 NE ARG A 37 -0.726 -11.526 3.033 1.00 0.00 N ATOM 574 CZ ARG A 37 0.502 -11.989 3.240 1.00 0.00 C ATOM 575 NH1 ARG A 37 1.301 -12.242 2.211 1.00 0.00 N ATOM 576 NH2 ARG A 37 0.935 -12.199 4.477 1.00 0.00 N ATOM 0 H ARG A 37 -4.233 -7.410 0.892 1.00 0.00 H new ATOM 0 HA ARG A 37 -4.924 -9.524 2.780 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -2.071 -8.746 2.074 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -2.507 -9.586 3.549 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -3.336 -11.499 2.286 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -3.111 -10.649 0.769 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -1.247 -12.180 1.115 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -0.663 -10.530 1.194 1.00 0.00 H new ATOM 0 HE ARG A 37 -1.314 -11.342 3.846 1.00 0.00 H new ATOM 0 HH11 ARG A 37 0.973 -12.081 1.259 1.00 0.00 H new ATOM 0 HH12 ARG A 37 2.243 -12.597 2.372 1.00 0.00 H new ATOM 0 HH21 ARG A 37 0.325 -12.005 5.271 1.00 0.00 H new ATOM 0 HH22 ARG A 37 1.878 -12.555 4.634 1.00 0.00 H new ATOM 590 N VAL A 38 -5.075 -7.693 4.435 1.00 0.00 N ATOM 591 CA VAL A 38 -5.212 -6.621 5.412 1.00 0.00 C ATOM 592 C VAL A 38 -4.638 -7.034 6.763 1.00 0.00 C ATOM 593 O VAL A 38 -5.237 -7.828 7.489 1.00 0.00 O ATOM 594 CB VAL A 38 -6.686 -6.214 5.593 1.00 0.00 C ATOM 595 CG1 VAL A 38 -6.810 -5.053 6.567 1.00 0.00 C ATOM 596 CG2 VAL A 38 -7.307 -5.860 4.250 1.00 0.00 C ATOM 0 H VAL A 38 -5.679 -8.498 4.603 1.00 0.00 H new ATOM 0 HA VAL A 38 -4.652 -5.768 5.029 1.00 0.00 H new ATOM 0 HB VAL A 38 -7.228 -7.063 6.010 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -7.860 -4.783 6.679 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -6.405 -5.346 7.536 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -6.254 -4.197 6.185 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -8.349 -5.575 4.395 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -6.761 -5.028 3.805 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -7.256 -6.724 3.587 1.00 0.00 H new ATOM 650 N TRP A 43 2.480 -3.329 6.577 1.00 0.00 N ATOM 651 CA TRP A 43 2.546 -3.283 5.120 1.00 0.00 C ATOM 652 C TRP A 43 1.378 -4.033 4.487 1.00 0.00 C ATOM 653 O TRP A 43 0.962 -5.082 4.978 1.00 0.00 O ATOM 654 CB TRP A 43 3.867 -3.876 4.629 1.00 0.00 C ATOM 655 CG TRP A 43 4.972 -2.871 4.531 1.00 0.00 C ATOM 656 CD1 TRP A 43 5.827 -2.490 5.524 1.00 0.00 C ATOM 657 CD2 TRP A 43 5.344 -2.122 3.370 1.00 0.00 C ATOM 658 NE1 TRP A 43 6.706 -1.545 5.051 1.00 0.00 N ATOM 659 CE2 TRP A 43 6.431 -1.304 3.731 1.00 0.00 C ATOM 660 CE3 TRP A 43 4.863 -2.063 2.058 1.00 0.00 C ATOM 661 CZ2 TRP A 43 7.045 -0.439 2.830 1.00 0.00 C ATOM 662 CZ3 TRP A 43 5.476 -1.204 1.164 1.00 0.00 C ATOM 663 CH2 TRP A 43 6.556 -0.403 1.553 1.00 0.00 C ATOM 0 HA TRP A 43 2.485 -2.237 4.819 1.00 0.00 H new ATOM 0 HB2 TRP A 43 4.172 -4.674 5.306 1.00 0.00 H new ATOM 0 HB3 TRP A 43 3.711 -4.330 3.650 1.00 0.00 H new ATOM 0 HD1 TRP A 43 5.815 -2.874 6.533 1.00 0.00 H new ATOM 0 HE1 TRP A 43 7.443 -1.096 5.595 1.00 0.00 H new ATOM 0 HE3 TRP A 43 4.029 -2.676 1.749 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 7.877 0.181 3.128 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 5.115 -1.150 0.148 1.00 0.00 H new ATOM 0 HH2 TRP A 43 7.013 0.257 0.830 1.00 0.00 H new ATOM 674 N TRP A 44 0.856 -3.483 3.393 1.00 0.00 N ATOM 675 CA TRP A 44 -0.259 -4.098 2.679 1.00 0.00 C ATOM 676 C TRP A 44 0.148 -4.468 1.256 1.00 0.00 C ATOM 677 O TRP A 44 0.920 -3.758 0.616 1.00 0.00 O ATOM 678 CB TRP A 44 -1.462 -3.148 2.632 1.00 0.00 C ATOM 679 CG TRP A 44 -2.131 -2.928 3.959 1.00 0.00 C ATOM 680 CD1 TRP A 44 -1.838 -3.535 5.148 1.00 0.00 C ATOM 681 CD2 TRP A 44 -3.218 -2.033 4.224 1.00 0.00 C ATOM 682 NE1 TRP A 44 -2.674 -3.069 6.135 1.00 0.00 N ATOM 683 CE2 TRP A 44 -3.529 -2.147 5.592 1.00 0.00 C ATOM 684 CE3 TRP A 44 -3.957 -1.146 3.436 1.00 0.00 C ATOM 685 CZ2 TRP A 44 -4.548 -1.406 6.188 1.00 0.00 C ATOM 686 CZ3 TRP A 44 -4.967 -0.411 4.028 1.00 0.00 C ATOM 687 CH2 TRP A 44 -5.254 -0.544 5.392 1.00 0.00 C ATOM 0 H TRP A 44 1.188 -2.611 2.981 1.00 0.00 H new ATOM 0 HA TRP A 44 -0.538 -5.004 3.217 1.00 0.00 H new ATOM 0 HB2 TRP A 44 -1.134 -2.185 2.240 1.00 0.00 H new ATOM 0 HB3 TRP A 44 -2.196 -3.545 1.930 1.00 0.00 H new ATOM 0 HD1 TRP A 44 -1.063 -4.273 5.291 1.00 0.00 H new ATOM 0 HE1 TRP A 44 -2.660 -3.362 7.112 1.00 0.00 H new ATOM 0 HE3 TRP A 44 -3.743 -1.037 2.383 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 -4.773 -1.508 7.239 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 -5.544 0.277 3.429 1.00 0.00 H new ATOM 0 HH2 TRP A 44 -6.049 0.045 5.825 1.00 0.00 H new ATOM 698 N GLU A 45 -0.377 -5.586 0.769 1.00 0.00 N ATOM 699 CA GLU A 45 -0.080 -6.050 -0.582 1.00 0.00 C ATOM 700 C GLU A 45 -1.271 -5.808 -1.505 1.00 0.00 C ATOM 701 O GLU A 45 -2.414 -6.078 -1.138 1.00 0.00 O ATOM 702 CB GLU A 45 0.273 -7.537 -0.568 1.00 0.00 C ATOM 703 CG GLU A 45 0.713 -8.073 -1.922 1.00 0.00 C ATOM 704 CD GLU A 45 0.937 -9.573 -1.911 1.00 0.00 C ATOM 705 OE1 GLU A 45 2.061 -10.001 -1.572 1.00 0.00 O ATOM 706 OE2 GLU A 45 -0.008 -10.318 -2.243 1.00 0.00 O ATOM 0 H GLU A 45 -1.012 -6.190 1.291 1.00 0.00 H new ATOM 0 HA GLU A 45 0.775 -5.487 -0.957 1.00 0.00 H new ATOM 0 HB2 GLU A 45 1.070 -7.706 0.156 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -0.593 -8.104 -0.227 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -0.042 -7.828 -2.669 1.00 0.00 H new ATOM 0 HG3 GLU A 45 1.634 -7.574 -2.224 1.00 0.00 H new ATOM 713 N GLY A 46 -0.998 -5.297 -2.703 1.00 0.00 N ATOM 714 CA GLY A 46 -2.065 -5.025 -3.649 1.00 0.00 C ATOM 715 C GLY A 46 -1.673 -5.325 -5.082 1.00 0.00 C ATOM 716 O GLY A 46 -0.595 -5.862 -5.340 1.00 0.00 O ATOM 0 H GLY A 46 -0.061 -5.068 -3.034 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -2.939 -5.620 -3.384 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -2.357 -3.978 -3.569 1.00 0.00 H new ATOM 720 N THR A 47 -2.553 -4.976 -6.017 1.00 0.00 N ATOM 721 CA THR A 47 -2.305 -5.211 -7.434 1.00 0.00 C ATOM 722 C THR A 47 -2.596 -3.958 -8.255 1.00 0.00 C ATOM 723 O THR A 47 -3.440 -3.142 -7.881 1.00 0.00 O ATOM 724 CB THR A 47 -3.166 -6.375 -7.964 1.00 0.00 C ATOM 725 OG1 THR A 47 -2.924 -7.553 -7.186 1.00 0.00 O ATOM 726 CG2 THR A 47 -2.862 -6.661 -9.428 1.00 0.00 C ATOM 0 H THR A 47 -3.447 -4.528 -5.816 1.00 0.00 H new ATOM 0 HA THR A 47 -1.252 -5.472 -7.538 1.00 0.00 H new ATOM 0 HB THR A 47 -4.214 -6.086 -7.880 1.00 0.00 H new ATOM 0 HG1 THR A 47 -3.475 -8.289 -7.526 1.00 0.00 H new ATOM 0 HG21 THR A 47 -3.484 -7.486 -9.774 1.00 0.00 H new ATOM 0 HG22 THR A 47 -3.073 -5.773 -10.024 1.00 0.00 H new ATOM 0 HG23 THR A 47 -1.811 -6.929 -9.536 1.00 0.00 H new ATOM 734 N LEU A 48 -1.893 -3.811 -9.375 1.00 0.00 N ATOM 735 CA LEU A 48 -2.078 -2.660 -10.252 1.00 0.00 C ATOM 736 C LEU A 48 -1.807 -3.045 -11.706 1.00 0.00 C ATOM 737 O LEU A 48 -1.199 -4.079 -11.979 1.00 0.00 O ATOM 738 CB LEU A 48 -1.161 -1.508 -9.819 1.00 0.00 C ATOM 739 CG LEU A 48 -1.386 -0.177 -10.548 1.00 0.00 C ATOM 740 CD1 LEU A 48 -2.848 0.234 -10.476 1.00 0.00 C ATOM 741 CD2 LEU A 48 -0.502 0.911 -9.957 1.00 0.00 C ATOM 0 H LEU A 48 -1.189 -4.476 -9.696 1.00 0.00 H new ATOM 0 HA LEU A 48 -3.113 -2.327 -10.174 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -1.293 -1.344 -8.750 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -0.126 -1.814 -9.969 1.00 0.00 H new ATOM 0 HG LEU A 48 -1.117 -0.313 -11.596 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -2.986 1.180 -10.999 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -3.465 -0.533 -10.944 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -3.143 0.350 -9.433 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -0.675 1.848 -10.486 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -0.741 1.041 -8.902 1.00 0.00 H new ATOM 0 HD23 LEU A 48 0.545 0.625 -10.059 1.00 0.00 H new ATOM 753 N ASN A 49 -2.274 -2.212 -12.634 1.00 0.00 N ATOM 754 CA ASN A 49 -2.095 -2.467 -14.061 1.00 0.00 C ATOM 755 C ASN A 49 -0.630 -2.731 -14.407 1.00 0.00 C ATOM 756 O ASN A 49 0.196 -1.818 -14.390 1.00 0.00 O ATOM 757 CB ASN A 49 -2.614 -1.284 -14.882 1.00 0.00 C ATOM 758 CG ASN A 49 -4.088 -1.018 -14.647 1.00 0.00 C ATOM 759 OD1 ASN A 49 -4.948 -1.569 -15.335 1.00 0.00 O ATOM 760 ND2 ASN A 49 -4.388 -0.167 -13.672 1.00 0.00 N ATOM 0 H ASN A 49 -2.781 -1.352 -12.422 1.00 0.00 H new ATOM 0 HA ASN A 49 -2.668 -3.361 -14.308 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -2.042 -0.391 -14.629 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -2.448 -1.480 -15.941 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -5.363 0.053 -13.469 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -3.643 0.267 -13.127 1.00 0.00 H new ATOM 767 N GLY A 50 -0.322 -3.988 -14.721 1.00 0.00 N ATOM 768 CA GLY A 50 1.038 -4.365 -15.076 1.00 0.00 C ATOM 769 C GLY A 50 2.044 -4.055 -13.984 1.00 0.00 C ATOM 770 O GLY A 50 3.253 -4.101 -14.214 1.00 0.00 O ATOM 0 H GLY A 50 -0.993 -4.756 -14.736 1.00 0.00 H new ATOM 0 HA2 GLY A 50 1.067 -5.432 -15.297 1.00 0.00 H new ATOM 0 HA3 GLY A 50 1.328 -3.843 -15.988 1.00 0.00 H new ATOM 774 N ARG A 51 1.545 -3.739 -12.794 1.00 0.00 N ATOM 775 CA ARG A 51 2.404 -3.419 -11.662 1.00 0.00 C ATOM 776 C ARG A 51 1.910 -4.116 -10.397 1.00 0.00 C ATOM 777 O ARG A 51 0.757 -3.954 -10.000 1.00 0.00 O ATOM 778 CB ARG A 51 2.443 -1.904 -11.452 1.00 0.00 C ATOM 779 CG ARG A 51 3.378 -1.460 -10.340 1.00 0.00 C ATOM 780 CD ARG A 51 3.467 0.056 -10.269 1.00 0.00 C ATOM 781 NE ARG A 51 3.926 0.636 -11.530 1.00 0.00 N ATOM 782 CZ ARG A 51 3.713 1.900 -11.882 1.00 0.00 C ATOM 783 NH1 ARG A 51 3.045 2.715 -11.076 1.00 0.00 N ATOM 784 NH2 ARG A 51 4.168 2.351 -13.043 1.00 0.00 N ATOM 0 H ARG A 51 0.547 -3.698 -12.589 1.00 0.00 H new ATOM 0 HA ARG A 51 3.412 -3.775 -11.876 1.00 0.00 H new ATOM 0 HB2 ARG A 51 2.749 -1.426 -12.383 1.00 0.00 H new ATOM 0 HB3 ARG A 51 1.436 -1.552 -11.229 1.00 0.00 H new ATOM 0 HG2 ARG A 51 3.024 -1.851 -9.386 1.00 0.00 H new ATOM 0 HG3 ARG A 51 4.371 -1.878 -10.508 1.00 0.00 H new ATOM 0 HD2 ARG A 51 2.489 0.465 -10.016 1.00 0.00 H new ATOM 0 HD3 ARG A 51 4.149 0.342 -9.468 1.00 0.00 H new ATOM 0 HE ARG A 51 4.439 0.037 -12.177 1.00 0.00 H new ATOM 0 HH11 ARG A 51 2.693 2.372 -10.182 1.00 0.00 H new ATOM 0 HH12 ARG A 51 2.884 3.684 -11.350 1.00 0.00 H new ATOM 0 HH21 ARG A 51 4.682 1.728 -13.666 1.00 0.00 H new ATOM 0 HH22 ARG A 51 4.004 3.321 -13.313 1.00 0.00 H new ATOM 798 N THR A 52 2.788 -4.890 -9.766 1.00 0.00 N ATOM 799 CA THR A 52 2.432 -5.615 -8.551 1.00 0.00 C ATOM 800 C THR A 52 3.523 -5.489 -7.492 1.00 0.00 C ATOM 801 O THR A 52 4.706 -5.375 -7.815 1.00 0.00 O ATOM 802 CB THR A 52 2.183 -7.109 -8.842 1.00 0.00 C ATOM 803 OG1 THR A 52 1.208 -7.250 -9.882 1.00 0.00 O ATOM 804 CG2 THR A 52 1.701 -7.837 -7.594 1.00 0.00 C ATOM 0 H THR A 52 3.750 -5.031 -10.075 1.00 0.00 H new ATOM 0 HA THR A 52 1.513 -5.167 -8.174 1.00 0.00 H new ATOM 0 HB THR A 52 3.127 -7.552 -9.161 1.00 0.00 H new ATOM 0 HG1 THR A 52 1.057 -8.201 -10.062 1.00 0.00 H new ATOM 0 HG21 THR A 52 1.533 -8.888 -7.828 1.00 0.00 H new ATOM 0 HG22 THR A 52 2.455 -7.755 -6.811 1.00 0.00 H new ATOM 0 HG23 THR A 52 0.769 -7.389 -7.249 1.00 0.00 H new ATOM 812 N GLY A 53 3.116 -5.512 -6.226 1.00 0.00 N ATOM 813 CA GLY A 53 4.066 -5.397 -5.136 1.00 0.00 C ATOM 814 C GLY A 53 3.431 -4.857 -3.870 1.00 0.00 C ATOM 815 O GLY A 53 2.229 -4.595 -3.835 1.00 0.00 O ATOM 0 H GLY A 53 2.143 -5.608 -5.936 1.00 0.00 H new ATOM 0 HA2 GLY A 53 4.501 -6.375 -4.932 1.00 0.00 H new ATOM 0 HA3 GLY A 53 4.883 -4.741 -5.437 1.00 0.00 H new ATOM 819 N TRP A 54 4.240 -4.691 -2.829 1.00 0.00 N ATOM 820 CA TRP A 54 3.751 -4.176 -1.555 1.00 0.00 C ATOM 821 C TRP A 54 3.647 -2.654 -1.584 1.00 0.00 C ATOM 822 O TRP A 54 4.289 -1.992 -2.401 1.00 0.00 O ATOM 823 CB TRP A 54 4.677 -4.608 -0.416 1.00 0.00 C ATOM 824 CG TRP A 54 4.641 -6.080 -0.139 1.00 0.00 C ATOM 825 CD1 TRP A 54 5.355 -7.054 -0.776 1.00 0.00 C ATOM 826 CD2 TRP A 54 3.851 -6.745 0.855 1.00 0.00 C ATOM 827 NE1 TRP A 54 5.055 -8.284 -0.242 1.00 0.00 N ATOM 828 CE2 TRP A 54 4.135 -8.121 0.760 1.00 0.00 C ATOM 829 CE3 TRP A 54 2.932 -6.312 1.814 1.00 0.00 C ATOM 830 CZ2 TRP A 54 3.533 -9.064 1.589 1.00 0.00 C ATOM 831 CZ3 TRP A 54 2.334 -7.250 2.636 1.00 0.00 C ATOM 832 CH2 TRP A 54 2.636 -8.611 2.518 1.00 0.00 C ATOM 0 H TRP A 54 5.237 -4.906 -2.842 1.00 0.00 H new ATOM 0 HA TRP A 54 2.756 -4.589 -1.386 1.00 0.00 H new ATOM 0 HB2 TRP A 54 5.699 -4.318 -0.660 1.00 0.00 H new ATOM 0 HB3 TRP A 54 4.400 -4.069 0.490 1.00 0.00 H new ATOM 0 HD1 TRP A 54 6.053 -6.883 -1.582 1.00 0.00 H new ATOM 0 HE1 TRP A 54 5.453 -9.174 -0.543 1.00 0.00 H new ATOM 0 HE3 TRP A 54 2.693 -5.263 1.912 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 3.766 -10.115 1.502 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 1.622 -6.927 3.381 1.00 0.00 H new ATOM 0 HH2 TRP A 54 2.151 -9.319 3.174 1.00 0.00 H new ATOM 843 N PHE A 55 2.835 -2.107 -0.685 1.00 0.00 N ATOM 844 CA PHE A 55 2.646 -0.665 -0.592 1.00 0.00 C ATOM 845 C PHE A 55 2.294 -0.266 0.841 1.00 0.00 C ATOM 846 O PHE A 55 1.575 -0.991 1.529 1.00 0.00 O ATOM 847 CB PHE A 55 1.553 -0.200 -1.559 1.00 0.00 C ATOM 848 CG PHE A 55 0.179 -0.706 -1.222 1.00 0.00 C ATOM 849 CD1 PHE A 55 -0.217 -1.979 -1.596 1.00 0.00 C ATOM 850 CD2 PHE A 55 -0.719 0.097 -0.536 1.00 0.00 C ATOM 851 CE1 PHE A 55 -1.482 -2.442 -1.291 1.00 0.00 C ATOM 852 CE2 PHE A 55 -1.985 -0.363 -0.229 1.00 0.00 C ATOM 853 CZ PHE A 55 -2.367 -1.634 -0.607 1.00 0.00 C ATOM 0 H PHE A 55 2.295 -2.645 -0.007 1.00 0.00 H new ATOM 0 HA PHE A 55 3.580 -0.177 -0.870 1.00 0.00 H new ATOM 0 HB2 PHE A 55 1.534 0.890 -1.572 1.00 0.00 H new ATOM 0 HB3 PHE A 55 1.812 -0.526 -2.566 1.00 0.00 H new ATOM 0 HD1 PHE A 55 0.471 -2.617 -2.132 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -0.426 1.093 -0.238 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -1.779 -3.437 -1.588 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -2.675 0.272 0.307 1.00 0.00 H new ATOM 0 HZ PHE A 55 -3.356 -1.995 -0.368 1.00 0.00 H new ATOM 863 N PRO A 56 2.794 0.893 1.314 1.00 0.00 N ATOM 864 CA PRO A 56 2.526 1.365 2.677 1.00 0.00 C ATOM 865 C PRO A 56 1.039 1.556 2.938 1.00 0.00 C ATOM 866 O PRO A 56 0.255 1.730 2.007 1.00 0.00 O ATOM 867 CB PRO A 56 3.259 2.710 2.753 1.00 0.00 C ATOM 868 CG PRO A 56 3.482 3.114 1.336 1.00 0.00 C ATOM 869 CD PRO A 56 3.645 1.835 0.568 1.00 0.00 C ATOM 0 HA PRO A 56 2.860 0.646 3.425 1.00 0.00 H new ATOM 0 HB2 PRO A 56 2.665 3.453 3.285 1.00 0.00 H new ATOM 0 HB3 PRO A 56 4.204 2.614 3.288 1.00 0.00 H new ATOM 0 HG2 PRO A 56 2.640 3.693 0.957 1.00 0.00 H new ATOM 0 HG3 PRO A 56 4.368 3.742 1.243 1.00 0.00 H new ATOM 0 HD2 PRO A 56 3.320 1.941 -0.467 1.00 0.00 H new ATOM 0 HD3 PRO A 56 4.685 1.508 0.543 1.00 0.00 H new ATOM 877 N SER A 57 0.657 1.518 4.211 1.00 0.00 N ATOM 878 CA SER A 57 -0.739 1.686 4.596 1.00 0.00 C ATOM 879 C SER A 57 -0.980 3.072 5.184 1.00 0.00 C ATOM 880 O SER A 57 -2.119 3.532 5.266 1.00 0.00 O ATOM 881 CB SER A 57 -1.140 0.614 5.613 1.00 0.00 C ATOM 882 OG SER A 57 -0.356 0.710 6.790 1.00 0.00 O ATOM 0 H SER A 57 1.295 1.372 4.993 1.00 0.00 H new ATOM 0 HA SER A 57 -1.352 1.579 3.701 1.00 0.00 H new ATOM 0 HB2 SER A 57 -2.195 0.723 5.865 1.00 0.00 H new ATOM 0 HB3 SER A 57 -1.019 -0.375 5.171 1.00 0.00 H new ATOM 0 HG SER A 57 -0.632 0.016 7.425 1.00 0.00 H new ATOM 888 N ASN A 58 0.097 3.731 5.595 1.00 0.00 N ATOM 889 CA ASN A 58 0.002 5.064 6.179 1.00 0.00 C ATOM 890 C ASN A 58 0.009 6.145 5.100 1.00 0.00 C ATOM 891 O ASN A 58 -0.436 7.269 5.335 1.00 0.00 O ATOM 892 CB ASN A 58 1.149 5.298 7.161 1.00 0.00 C ATOM 893 CG ASN A 58 1.100 4.350 8.345 1.00 0.00 C ATOM 894 OD1 ASN A 58 0.030 3.892 8.744 1.00 0.00 O ATOM 895 ND2 ASN A 58 2.263 4.056 8.914 1.00 0.00 N ATOM 0 H ASN A 58 1.047 3.364 5.535 1.00 0.00 H new ATOM 0 HA ASN A 58 -0.945 5.125 6.715 1.00 0.00 H new ATOM 0 HB2 ASN A 58 2.099 5.177 6.641 1.00 0.00 H new ATOM 0 HB3 ASN A 58 1.112 6.326 7.521 1.00 0.00 H new ATOM 0 HD21 ASN A 58 2.294 3.427 9.716 1.00 0.00 H new ATOM 0 HD22 ASN A 58 3.126 4.459 8.549 1.00 0.00 H new ATOM 902 N TYR A 59 0.517 5.800 3.919 1.00 0.00 N ATOM 903 CA TYR A 59 0.576 6.746 2.808 1.00 0.00 C ATOM 904 C TYR A 59 -0.655 6.622 1.918 1.00 0.00 C ATOM 905 O TYR A 59 -0.858 7.425 1.007 1.00 0.00 O ATOM 906 CB TYR A 59 1.844 6.520 1.982 1.00 0.00 C ATOM 907 CG TYR A 59 2.969 7.478 2.315 1.00 0.00 C ATOM 908 CD1 TYR A 59 3.244 7.834 3.631 1.00 0.00 C ATOM 909 CD2 TYR A 59 3.754 8.029 1.310 1.00 0.00 C ATOM 910 CE1 TYR A 59 4.268 8.710 3.935 1.00 0.00 C ATOM 911 CE2 TYR A 59 4.781 8.905 1.607 1.00 0.00 C ATOM 912 CZ TYR A 59 5.033 9.242 2.919 1.00 0.00 C ATOM 913 OH TYR A 59 6.054 10.116 3.218 1.00 0.00 O ATOM 0 H TYR A 59 0.892 4.876 3.707 1.00 0.00 H new ATOM 0 HA TYR A 59 0.598 7.753 3.225 1.00 0.00 H new ATOM 0 HB2 TYR A 59 2.191 5.499 2.138 1.00 0.00 H new ATOM 0 HB3 TYR A 59 1.599 6.615 0.924 1.00 0.00 H new ATOM 0 HD1 TYR A 59 2.647 7.418 4.429 1.00 0.00 H new ATOM 0 HD2 TYR A 59 3.559 7.769 0.280 1.00 0.00 H new ATOM 0 HE1 TYR A 59 4.468 8.976 4.962 1.00 0.00 H new ATOM 0 HE2 TYR A 59 5.383 9.323 0.814 1.00 0.00 H new ATOM 0 HH TYR A 59 6.496 10.398 2.390 1.00 0.00 H new ATOM 923 N VAL A 60 -1.470 5.609 2.186 1.00 0.00 N ATOM 924 CA VAL A 60 -2.685 5.378 1.415 1.00 0.00 C ATOM 925 C VAL A 60 -3.891 5.236 2.338 1.00 0.00 C ATOM 926 O VAL A 60 -3.757 4.798 3.481 1.00 0.00 O ATOM 927 CB VAL A 60 -2.559 4.116 0.539 1.00 0.00 C ATOM 928 CG1 VAL A 60 -1.380 4.245 -0.414 1.00 0.00 C ATOM 929 CG2 VAL A 60 -2.418 2.873 1.403 1.00 0.00 C ATOM 0 H VAL A 60 -1.311 4.933 2.933 1.00 0.00 H new ATOM 0 HA VAL A 60 -2.828 6.242 0.766 1.00 0.00 H new ATOM 0 HB VAL A 60 -3.469 4.016 -0.052 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -1.306 3.345 -1.025 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -1.527 5.111 -1.060 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -0.461 4.371 0.159 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -2.331 1.994 0.764 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -1.526 2.961 2.024 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -3.296 2.772 2.041 1.00 0.00 H new ATOM 939 N ARG A 61 -5.068 5.603 1.840 1.00 0.00 N ATOM 940 CA ARG A 61 -6.293 5.518 2.630 1.00 0.00 C ATOM 941 C ARG A 61 -7.430 4.918 1.811 1.00 0.00 C ATOM 942 O ARG A 61 -7.529 5.147 0.604 1.00 0.00 O ATOM 943 CB ARG A 61 -6.695 6.903 3.143 1.00 0.00 C ATOM 944 CG ARG A 61 -5.707 7.506 4.129 1.00 0.00 C ATOM 945 CD ARG A 61 -5.892 6.939 5.530 1.00 0.00 C ATOM 946 NE ARG A 61 -5.529 5.526 5.607 1.00 0.00 N ATOM 947 CZ ARG A 61 -6.114 4.656 6.425 1.00 0.00 C ATOM 948 NH1 ARG A 61 -7.086 5.051 7.235 1.00 0.00 N ATOM 949 NH2 ARG A 61 -5.725 3.388 6.432 1.00 0.00 N ATOM 0 H ARG A 61 -5.200 5.962 0.894 1.00 0.00 H new ATOM 0 HA ARG A 61 -6.099 4.866 3.481 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -6.802 7.577 2.293 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -7.673 6.833 3.620 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -4.690 7.312 3.789 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -5.833 8.588 4.155 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -5.283 7.507 6.233 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -6.931 7.062 5.836 1.00 0.00 H new ATOM 0 HE ARG A 61 -4.784 5.187 4.998 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -7.388 6.025 7.232 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -7.532 4.381 7.861 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -4.977 3.080 5.810 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -6.174 2.720 7.059 1.00 0.00 H new ATOM 963 N GLU A 62 -8.286 4.147 2.478 1.00 0.00 N ATOM 964 CA GLU A 62 -9.420 3.503 1.821 1.00 0.00 C ATOM 965 C GLU A 62 -10.268 4.519 1.059 1.00 0.00 C ATOM 966 O GLU A 62 -10.735 5.504 1.631 1.00 0.00 O ATOM 967 CB GLU A 62 -10.286 2.775 2.850 1.00 0.00 C ATOM 968 CG GLU A 62 -11.436 1.997 2.233 1.00 0.00 C ATOM 969 CD GLU A 62 -12.336 1.361 3.274 1.00 0.00 C ATOM 970 OE1 GLU A 62 -12.055 0.213 3.680 1.00 0.00 O ATOM 971 OE2 GLU A 62 -13.321 2.009 3.685 1.00 0.00 O ATOM 0 H GLU A 62 -8.215 3.953 3.477 1.00 0.00 H new ATOM 0 HA GLU A 62 -9.025 2.781 1.106 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -9.659 2.090 3.421 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -10.687 3.503 3.555 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -12.027 2.665 1.607 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -11.036 1.220 1.581 1.00 0.00 H new ATOM 978 N VAL A 63 -10.457 4.272 -0.234 1.00 0.00 N ATOM 979 CA VAL A 63 -11.253 5.158 -1.076 1.00 0.00 C ATOM 980 C VAL A 63 -12.621 4.548 -1.378 1.00 0.00 C ATOM 981 O VAL A 63 -12.721 3.386 -1.773 1.00 0.00 O ATOM 982 CB VAL A 63 -10.531 5.471 -2.402 1.00 0.00 C ATOM 983 CG1 VAL A 63 -10.188 4.188 -3.146 1.00 0.00 C ATOM 984 CG2 VAL A 63 -11.380 6.392 -3.269 1.00 0.00 C ATOM 0 H VAL A 63 -10.069 3.464 -0.722 1.00 0.00 H new ATOM 0 HA VAL A 63 -11.390 6.086 -0.521 1.00 0.00 H new ATOM 0 HB VAL A 63 -9.598 5.985 -2.171 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -9.679 4.433 -4.078 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -9.535 3.572 -2.527 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -11.104 3.639 -3.366 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -10.854 6.602 -4.200 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -12.331 5.908 -3.490 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -11.563 7.326 -2.737 1.00 0.00 H new