USER MOD reduce.3.24.130724 H: found=0, std=0, add=405, rem=0, adj=9 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 7 LYS NZ :NH3+ 139:sc= 0.0012 (180deg=-0.103) USER MOD Set 1.2: A 23 THR OG1 : rot 180:sc= 0.00536 USER MOD Single : A 15 SER OG : rot 154:sc= 0.245 USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 ASN : amide:sc= -4.12! C(o=-4.1!,f=-18!) USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 56 ASN : amide:sc= -5.18! C(o=-5.2!,f=-8.7!) USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 ASN : amide:sc= -0.521 X(o=-0.52,f=-0.61!) USER MOD Single : A 59 ASN : amide:sc= -0.821 X(o=-0.82,f=-0.42) USER MOD ----------------------------------------------------------------- ATOM 95 N LYS A 7 -6.197 -0.468 3.510 1.00 0.00 N ATOM 96 CA LYS A 7 -5.263 -1.556 3.092 1.00 0.00 C ATOM 97 C LYS A 7 -5.337 -1.763 1.577 1.00 0.00 C ATOM 98 O LYS A 7 -6.392 -2.017 1.028 1.00 0.00 O ATOM 99 CB LYS A 7 -5.754 -2.803 3.827 1.00 0.00 C ATOM 100 CG LYS A 7 -5.276 -2.760 5.280 1.00 0.00 C ATOM 101 CD LYS A 7 -5.837 -3.965 6.038 1.00 0.00 C ATOM 102 CE LYS A 7 -4.822 -4.427 7.086 1.00 0.00 C ATOM 103 NZ LYS A 7 -4.869 -3.387 8.152 1.00 0.00 N ATOM 0 HA LYS A 7 -4.225 -1.324 3.331 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -6.842 -2.854 3.792 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -5.377 -3.700 3.335 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -4.187 -2.769 5.316 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -5.603 -1.834 5.754 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -6.778 -3.699 6.520 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -6.053 -4.777 5.343 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -5.082 -5.409 7.481 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -3.823 -4.509 6.658 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -4.828 -3.844 9.085 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -4.059 -2.744 8.045 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -5.753 -2.846 8.070 1.00 0.00 H new ATOM 117 N VAL A 8 -4.215 -1.692 0.906 1.00 0.00 N ATOM 118 CA VAL A 8 -4.203 -1.926 -0.571 1.00 0.00 C ATOM 119 C VAL A 8 -3.232 -3.060 -0.920 1.00 0.00 C ATOM 120 O VAL A 8 -2.278 -3.311 -0.208 1.00 0.00 O ATOM 121 CB VAL A 8 -3.736 -0.602 -1.187 1.00 0.00 C ATOM 122 CG1 VAL A 8 -4.735 0.503 -0.835 1.00 0.00 C ATOM 123 CG2 VAL A 8 -2.353 -0.226 -0.640 1.00 0.00 C ATOM 0 H VAL A 8 -3.306 -1.482 1.317 1.00 0.00 H new ATOM 0 HA VAL A 8 -5.182 -2.221 -0.948 1.00 0.00 H new ATOM 0 HB VAL A 8 -3.675 -0.715 -2.269 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -4.404 1.445 -1.272 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -5.717 0.245 -1.230 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -4.795 0.607 0.248 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -2.030 0.716 -1.084 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -2.407 -0.117 0.443 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -1.637 -1.009 -0.890 1.00 0.00 H new ATOM 133 N ARG A 9 -3.436 -3.700 -2.043 1.00 0.00 N ATOM 134 CA ARG A 9 -2.490 -4.771 -2.483 1.00 0.00 C ATOM 135 C ARG A 9 -1.216 -4.145 -3.056 1.00 0.00 C ATOM 136 O ARG A 9 -1.188 -2.979 -3.403 1.00 0.00 O ATOM 137 CB ARG A 9 -3.240 -5.548 -3.566 1.00 0.00 C ATOM 138 CG ARG A 9 -4.024 -6.695 -2.924 1.00 0.00 C ATOM 139 CD ARG A 9 -4.040 -7.898 -3.870 1.00 0.00 C ATOM 140 NE ARG A 9 -5.355 -7.817 -4.576 1.00 0.00 N ATOM 141 CZ ARG A 9 -6.474 -8.205 -3.995 1.00 0.00 C ATOM 142 NH1 ARG A 9 -6.490 -8.637 -2.754 1.00 0.00 N ATOM 143 NH2 ARG A 9 -7.591 -8.157 -4.667 1.00 0.00 N ATOM 0 H ARG A 9 -4.218 -3.527 -2.675 1.00 0.00 H new ATOM 0 HA ARG A 9 -2.186 -5.416 -1.659 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -3.919 -4.884 -4.100 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -2.536 -5.941 -4.300 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -3.569 -6.973 -1.973 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -5.044 -6.376 -2.708 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -3.210 -7.857 -4.575 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -3.944 -8.834 -3.320 1.00 0.00 H new ATOM 0 HE ARG A 9 -5.388 -7.454 -5.528 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -5.624 -8.678 -2.217 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -7.369 -8.931 -2.328 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -7.593 -7.822 -5.631 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -8.463 -8.454 -4.229 1.00 0.00 H new ATOM 157 N ILE A 10 -0.161 -4.914 -3.157 1.00 0.00 N ATOM 158 CA ILE A 10 1.119 -4.372 -3.705 1.00 0.00 C ATOM 159 C ILE A 10 1.326 -4.866 -5.141 1.00 0.00 C ATOM 160 O ILE A 10 1.459 -6.050 -5.385 1.00 0.00 O ATOM 161 CB ILE A 10 2.216 -4.921 -2.781 1.00 0.00 C ATOM 162 CG1 ILE A 10 1.959 -4.466 -1.333 1.00 0.00 C ATOM 163 CG2 ILE A 10 3.586 -4.412 -3.245 1.00 0.00 C ATOM 164 CD1 ILE A 10 1.957 -2.934 -1.247 1.00 0.00 C ATOM 0 H ILE A 10 -0.131 -5.896 -2.883 1.00 0.00 H new ATOM 0 HA ILE A 10 1.127 -3.283 -3.738 1.00 0.00 H new ATOM 0 HB ILE A 10 2.203 -6.010 -2.821 1.00 0.00 H new ATOM 0 HG12 ILE A 10 1.003 -4.857 -0.986 1.00 0.00 H new ATOM 0 HG13 ILE A 10 2.727 -4.873 -0.675 1.00 0.00 H new ATOM 0 HG21 ILE A 10 4.362 -4.804 -2.587 1.00 0.00 H new ATOM 0 HG22 ILE A 10 3.772 -4.747 -4.265 1.00 0.00 H new ATOM 0 HG23 ILE A 10 3.599 -3.323 -3.213 1.00 0.00 H new ATOM 0 HD11 ILE A 10 1.774 -2.628 -0.217 1.00 0.00 H new ATOM 0 HD12 ILE A 10 2.923 -2.550 -1.574 1.00 0.00 H new ATOM 0 HD13 ILE A 10 1.172 -2.535 -1.889 1.00 0.00 H new ATOM 176 N LEU A 11 1.411 -3.958 -6.081 1.00 0.00 N ATOM 177 CA LEU A 11 1.679 -4.360 -7.494 1.00 0.00 C ATOM 178 C LEU A 11 3.155 -4.132 -7.835 1.00 0.00 C ATOM 179 O LEU A 11 3.487 -3.655 -8.904 1.00 0.00 O ATOM 180 CB LEU A 11 0.784 -3.447 -8.343 1.00 0.00 C ATOM 181 CG LEU A 11 -0.629 -4.039 -8.464 1.00 0.00 C ATOM 182 CD1 LEU A 11 -0.567 -5.405 -9.153 1.00 0.00 C ATOM 183 CD2 LEU A 11 -1.250 -4.196 -7.072 1.00 0.00 C ATOM 0 H LEU A 11 1.306 -2.955 -5.930 1.00 0.00 H new ATOM 0 HA LEU A 11 1.470 -5.415 -7.671 1.00 0.00 H new ATOM 0 HB2 LEU A 11 0.732 -2.457 -7.891 1.00 0.00 H new ATOM 0 HB3 LEU A 11 1.219 -3.322 -9.335 1.00 0.00 H new ATOM 0 HG LEU A 11 -1.244 -3.364 -9.059 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -1.573 -5.817 -9.235 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -0.140 -5.291 -10.149 1.00 0.00 H new ATOM 0 HD13 LEU A 11 0.056 -6.081 -8.566 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -2.251 -4.616 -7.166 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -0.632 -4.863 -6.471 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -1.309 -3.221 -6.588 1.00 0.00 H new ATOM 195 N ARG A 12 4.040 -4.486 -6.938 1.00 0.00 N ATOM 196 CA ARG A 12 5.499 -4.311 -7.206 1.00 0.00 C ATOM 197 C ARG A 12 6.196 -5.679 -7.265 1.00 0.00 C ATOM 198 O ARG A 12 6.729 -6.137 -6.273 1.00 0.00 O ATOM 199 CB ARG A 12 6.021 -3.493 -6.024 1.00 0.00 C ATOM 200 CG ARG A 12 7.362 -2.855 -6.397 1.00 0.00 C ATOM 201 CD ARG A 12 7.627 -1.652 -5.486 1.00 0.00 C ATOM 202 NE ARG A 12 9.083 -1.732 -5.146 1.00 0.00 N ATOM 203 CZ ARG A 12 9.732 -0.693 -4.658 1.00 0.00 C ATOM 204 NH1 ARG A 12 9.144 0.468 -4.488 1.00 0.00 N ATOM 205 NH2 ARG A 12 10.990 -0.823 -4.335 1.00 0.00 N ATOM 0 H ARG A 12 3.814 -4.890 -6.029 1.00 0.00 H new ATOM 0 HA ARG A 12 5.689 -3.818 -8.159 1.00 0.00 H new ATOM 0 HB2 ARG A 12 5.300 -2.720 -5.756 1.00 0.00 H new ATOM 0 HB3 ARG A 12 6.141 -4.133 -5.150 1.00 0.00 H new ATOM 0 HG2 ARG A 12 8.165 -3.585 -6.296 1.00 0.00 H new ATOM 0 HG3 ARG A 12 7.349 -2.539 -7.440 1.00 0.00 H new ATOM 0 HD2 ARG A 12 7.391 -0.715 -5.991 1.00 0.00 H new ATOM 0 HD3 ARG A 12 7.010 -1.694 -4.588 1.00 0.00 H new ATOM 0 HE ARG A 12 9.583 -2.608 -5.295 1.00 0.00 H new ATOM 0 HH11 ARG A 12 8.161 0.583 -4.735 1.00 0.00 H new ATOM 0 HH12 ARG A 12 9.670 1.255 -4.108 1.00 0.00 H new ATOM 0 HH21 ARG A 12 11.459 -1.720 -4.461 1.00 0.00 H new ATOM 0 HH22 ARG A 12 11.504 -0.028 -3.956 1.00 0.00 H new ATOM 219 N PRO A 13 6.174 -6.300 -8.430 1.00 0.00 N ATOM 220 CA PRO A 13 6.820 -7.635 -8.595 1.00 0.00 C ATOM 221 C PRO A 13 8.278 -7.604 -8.113 1.00 0.00 C ATOM 222 O PRO A 13 8.816 -8.605 -7.678 1.00 0.00 O ATOM 223 CB PRO A 13 6.761 -7.878 -10.102 1.00 0.00 C ATOM 224 CG PRO A 13 5.617 -7.047 -10.581 1.00 0.00 C ATOM 225 CD PRO A 13 5.555 -5.840 -9.685 1.00 0.00 C ATOM 0 HA PRO A 13 6.327 -8.415 -8.015 1.00 0.00 H new ATOM 0 HB2 PRO A 13 7.692 -7.584 -10.586 1.00 0.00 H new ATOM 0 HB3 PRO A 13 6.604 -8.933 -10.326 1.00 0.00 H new ATOM 0 HG2 PRO A 13 5.762 -6.751 -11.620 1.00 0.00 H new ATOM 0 HG3 PRO A 13 4.685 -7.610 -10.537 1.00 0.00 H new ATOM 0 HD2 PRO A 13 6.097 -4.997 -10.112 1.00 0.00 H new ATOM 0 HD3 PRO A 13 4.528 -5.512 -9.527 1.00 0.00 H new ATOM 233 N GLU A 14 8.899 -6.453 -8.149 1.00 0.00 N ATOM 234 CA GLU A 14 10.303 -6.337 -7.650 1.00 0.00 C ATOM 235 C GLU A 14 10.322 -6.321 -6.118 1.00 0.00 C ATOM 236 O GLU A 14 11.286 -6.731 -5.498 1.00 0.00 O ATOM 237 CB GLU A 14 10.817 -5.007 -8.206 1.00 0.00 C ATOM 238 CG GLU A 14 12.344 -4.973 -8.119 1.00 0.00 C ATOM 239 CD GLU A 14 12.767 -4.339 -6.794 1.00 0.00 C ATOM 240 OE1 GLU A 14 12.712 -3.124 -6.697 1.00 0.00 O ATOM 241 OE2 GLU A 14 13.138 -5.078 -5.897 1.00 0.00 O ATOM 0 H GLU A 14 8.494 -5.587 -8.503 1.00 0.00 H new ATOM 0 HA GLU A 14 10.922 -7.176 -7.967 1.00 0.00 H new ATOM 0 HB2 GLU A 14 10.498 -4.886 -9.241 1.00 0.00 H new ATOM 0 HB3 GLU A 14 10.392 -4.177 -7.643 1.00 0.00 H new ATOM 0 HG2 GLU A 14 12.745 -5.984 -8.195 1.00 0.00 H new ATOM 0 HG3 GLU A 14 12.754 -4.404 -8.953 1.00 0.00 H new ATOM 248 N SER A 15 9.261 -5.855 -5.507 1.00 0.00 N ATOM 249 CA SER A 15 9.209 -5.817 -4.012 1.00 0.00 C ATOM 250 C SER A 15 9.047 -7.232 -3.452 1.00 0.00 C ATOM 251 O SER A 15 8.243 -8.010 -3.932 1.00 0.00 O ATOM 252 CB SER A 15 7.985 -4.964 -3.675 1.00 0.00 C ATOM 253 OG SER A 15 7.936 -4.750 -2.270 1.00 0.00 O ATOM 0 H SER A 15 8.429 -5.499 -5.978 1.00 0.00 H new ATOM 0 HA SER A 15 10.121 -5.406 -3.580 1.00 0.00 H new ATOM 0 HB2 SER A 15 8.037 -4.009 -4.199 1.00 0.00 H new ATOM 0 HB3 SER A 15 7.076 -5.463 -4.011 1.00 0.00 H new ATOM 0 HG SER A 15 7.457 -3.916 -2.083 1.00 0.00 H new ATOM 259 N TYR A 16 9.772 -7.552 -2.410 1.00 0.00 N ATOM 260 CA TYR A 16 9.629 -8.901 -1.774 1.00 0.00 C ATOM 261 C TYR A 16 8.193 -9.109 -1.282 1.00 0.00 C ATOM 262 O TYR A 16 7.720 -10.226 -1.186 1.00 0.00 O ATOM 263 CB TYR A 16 10.603 -8.895 -0.593 1.00 0.00 C ATOM 264 CG TYR A 16 10.615 -10.257 0.058 1.00 0.00 C ATOM 265 CD1 TYR A 16 9.587 -10.623 0.936 1.00 0.00 C ATOM 266 CD2 TYR A 16 11.653 -11.157 -0.217 1.00 0.00 C ATOM 267 CE1 TYR A 16 9.597 -11.885 1.539 1.00 0.00 C ATOM 268 CE2 TYR A 16 11.663 -12.419 0.387 1.00 0.00 C ATOM 269 CZ TYR A 16 10.636 -12.784 1.265 1.00 0.00 C ATOM 270 OH TYR A 16 10.645 -14.029 1.861 1.00 0.00 O ATOM 0 H TYR A 16 10.458 -6.938 -1.971 1.00 0.00 H new ATOM 0 HA TYR A 16 9.845 -9.707 -2.475 1.00 0.00 H new ATOM 0 HB2 TYR A 16 11.605 -8.635 -0.936 1.00 0.00 H new ATOM 0 HB3 TYR A 16 10.307 -8.137 0.132 1.00 0.00 H new ATOM 0 HD1 TYR A 16 8.786 -9.930 1.148 1.00 0.00 H new ATOM 0 HD2 TYR A 16 12.445 -10.877 -0.895 1.00 0.00 H new ATOM 0 HE1 TYR A 16 8.804 -12.166 2.216 1.00 0.00 H new ATOM 0 HE2 TYR A 16 12.464 -13.112 0.176 1.00 0.00 H new ATOM 0 HH TYR A 16 11.434 -14.529 1.563 1.00 0.00 H new ATOM 280 N TRP A 17 7.497 -8.042 -0.975 1.00 0.00 N ATOM 281 CA TRP A 17 6.090 -8.172 -0.492 1.00 0.00 C ATOM 282 C TRP A 17 5.112 -8.013 -1.659 1.00 0.00 C ATOM 283 O TRP A 17 4.060 -7.418 -1.520 1.00 0.00 O ATOM 284 CB TRP A 17 5.910 -7.034 0.515 1.00 0.00 C ATOM 285 CG TRP A 17 6.831 -7.243 1.674 1.00 0.00 C ATOM 286 CD1 TRP A 17 6.887 -8.362 2.431 1.00 0.00 C ATOM 287 CD2 TRP A 17 7.826 -6.328 2.221 1.00 0.00 C ATOM 288 NE1 TRP A 17 7.853 -8.193 3.407 1.00 0.00 N ATOM 289 CE2 TRP A 17 8.460 -6.956 3.319 1.00 0.00 C ATOM 290 CE3 TRP A 17 8.236 -5.028 1.873 1.00 0.00 C ATOM 291 CZ2 TRP A 17 9.464 -6.317 4.046 1.00 0.00 C ATOM 292 CZ3 TRP A 17 9.246 -4.383 2.603 1.00 0.00 C ATOM 293 CH2 TRP A 17 9.859 -5.026 3.688 1.00 0.00 C ATOM 0 H TRP A 17 7.845 -7.085 -1.039 1.00 0.00 H new ATOM 0 HA TRP A 17 5.896 -9.147 -0.046 1.00 0.00 H new ATOM 0 HB2 TRP A 17 6.119 -6.076 0.039 1.00 0.00 H new ATOM 0 HB3 TRP A 17 4.877 -6.999 0.860 1.00 0.00 H new ATOM 0 HD1 TRP A 17 6.278 -9.243 2.296 1.00 0.00 H new ATOM 0 HE1 TRP A 17 8.088 -8.897 4.107 1.00 0.00 H new ATOM 0 HE3 TRP A 17 7.771 -4.524 1.039 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 9.933 -6.817 4.880 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 9.553 -3.385 2.327 1.00 0.00 H new ATOM 0 HH2 TRP A 17 10.635 -4.524 4.246 1.00 0.00 H new ATOM 304 N PHE A 18 5.425 -8.595 -2.791 1.00 0.00 N ATOM 305 CA PHE A 18 4.485 -8.540 -3.952 1.00 0.00 C ATOM 306 C PHE A 18 3.260 -9.416 -3.681 1.00 0.00 C ATOM 307 O PHE A 18 3.305 -10.332 -2.882 1.00 0.00 O ATOM 308 CB PHE A 18 5.281 -9.084 -5.140 1.00 0.00 C ATOM 309 CG PHE A 18 4.463 -8.944 -6.401 1.00 0.00 C ATOM 310 CD1 PHE A 18 4.004 -7.682 -6.800 1.00 0.00 C ATOM 311 CD2 PHE A 18 4.164 -10.073 -7.171 1.00 0.00 C ATOM 312 CE1 PHE A 18 3.246 -7.551 -7.970 1.00 0.00 C ATOM 313 CE2 PHE A 18 3.405 -9.942 -8.341 1.00 0.00 C ATOM 314 CZ PHE A 18 2.946 -8.681 -8.739 1.00 0.00 C ATOM 0 H PHE A 18 6.291 -9.106 -2.960 1.00 0.00 H new ATOM 0 HA PHE A 18 4.120 -7.530 -4.138 1.00 0.00 H new ATOM 0 HB2 PHE A 18 6.221 -8.541 -5.241 1.00 0.00 H new ATOM 0 HB3 PHE A 18 5.535 -10.131 -4.973 1.00 0.00 H new ATOM 0 HD1 PHE A 18 4.235 -6.810 -6.205 1.00 0.00 H new ATOM 0 HD2 PHE A 18 4.518 -11.046 -6.863 1.00 0.00 H new ATOM 0 HE1 PHE A 18 2.893 -6.578 -8.279 1.00 0.00 H new ATOM 0 HE2 PHE A 18 3.174 -10.813 -8.936 1.00 0.00 H new ATOM 0 HZ PHE A 18 2.360 -8.580 -9.640 1.00 0.00 H new ATOM 324 N GLN A 19 2.167 -9.152 -4.358 1.00 0.00 N ATOM 325 CA GLN A 19 0.925 -9.975 -4.168 1.00 0.00 C ATOM 326 C GLN A 19 0.545 -10.053 -2.685 1.00 0.00 C ATOM 327 O GLN A 19 0.137 -11.090 -2.194 1.00 0.00 O ATOM 328 CB GLN A 19 1.272 -11.366 -4.708 1.00 0.00 C ATOM 329 CG GLN A 19 0.011 -12.025 -5.271 1.00 0.00 C ATOM 330 CD GLN A 19 0.349 -13.429 -5.774 1.00 0.00 C ATOM 331 OE1 GLN A 19 -0.138 -14.409 -5.246 1.00 0.00 O ATOM 332 NE2 GLN A 19 1.170 -13.569 -6.779 1.00 0.00 N ATOM 0 H GLN A 19 2.080 -8.397 -5.039 1.00 0.00 H new ATOM 0 HA GLN A 19 0.071 -9.539 -4.686 1.00 0.00 H new ATOM 0 HB2 GLN A 19 2.032 -11.287 -5.486 1.00 0.00 H new ATOM 0 HB3 GLN A 19 1.693 -11.982 -3.913 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -0.759 -12.079 -4.501 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -0.394 -11.423 -6.085 1.00 0.00 H new ATOM 0 HE21 GLN A 19 1.579 -12.746 -7.222 1.00 0.00 H new ATOM 0 HE22 GLN A 19 1.403 -14.501 -7.121 1.00 0.00 H new ATOM 341 N ASP A 20 0.646 -8.955 -1.979 1.00 0.00 N ATOM 342 CA ASP A 20 0.261 -8.945 -0.537 1.00 0.00 C ATOM 343 C ASP A 20 -0.562 -7.695 -0.216 1.00 0.00 C ATOM 344 O ASP A 20 -0.504 -6.707 -0.925 1.00 0.00 O ATOM 345 CB ASP A 20 1.586 -8.926 0.227 1.00 0.00 C ATOM 346 CG ASP A 20 2.028 -10.361 0.521 1.00 0.00 C ATOM 347 OD1 ASP A 20 2.063 -11.150 -0.409 1.00 0.00 O ATOM 348 OD2 ASP A 20 2.325 -10.645 1.668 1.00 0.00 O ATOM 0 H ASP A 20 0.980 -8.062 -2.342 1.00 0.00 H new ATOM 0 HA ASP A 20 -0.352 -9.805 -0.268 1.00 0.00 H new ATOM 0 HB2 ASP A 20 2.348 -8.413 -0.359 1.00 0.00 H new ATOM 0 HB3 ASP A 20 1.473 -8.371 1.158 1.00 0.00 H new ATOM 353 N VAL A 21 -1.303 -7.721 0.862 1.00 0.00 N ATOM 354 CA VAL A 21 -2.107 -6.525 1.257 1.00 0.00 C ATOM 355 C VAL A 21 -1.422 -5.793 2.416 1.00 0.00 C ATOM 356 O VAL A 21 -1.589 -6.146 3.568 1.00 0.00 O ATOM 357 CB VAL A 21 -3.466 -7.083 1.695 1.00 0.00 C ATOM 358 CG1 VAL A 21 -4.384 -5.932 2.115 1.00 0.00 C ATOM 359 CG2 VAL A 21 -4.111 -7.840 0.530 1.00 0.00 C ATOM 0 H VAL A 21 -1.386 -8.522 1.488 1.00 0.00 H new ATOM 0 HA VAL A 21 -2.210 -5.807 0.444 1.00 0.00 H new ATOM 0 HB VAL A 21 -3.320 -7.760 2.536 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -5.349 -6.331 2.426 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -3.931 -5.390 2.945 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -4.526 -5.254 1.273 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -5.077 -8.236 0.844 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -4.253 -7.161 -0.311 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -3.463 -8.662 0.227 1.00 0.00 H new ATOM 369 N GLY A 22 -0.672 -4.763 2.116 1.00 0.00 N ATOM 370 CA GLY A 22 0.008 -3.985 3.194 1.00 0.00 C ATOM 371 C GLY A 22 -0.913 -2.859 3.671 1.00 0.00 C ATOM 372 O GLY A 22 -1.971 -2.636 3.114 1.00 0.00 O ATOM 0 H GLY A 22 -0.501 -4.427 1.168 1.00 0.00 H new ATOM 0 HA2 GLY A 22 0.259 -4.641 4.027 1.00 0.00 H new ATOM 0 HA3 GLY A 22 0.945 -3.570 2.822 1.00 0.00 H new ATOM 376 N THR A 23 -0.502 -2.134 4.680 1.00 0.00 N ATOM 377 CA THR A 23 -1.334 -1.000 5.181 1.00 0.00 C ATOM 378 C THR A 23 -0.629 0.332 4.910 1.00 0.00 C ATOM 379 O THR A 23 0.585 0.412 4.909 1.00 0.00 O ATOM 380 CB THR A 23 -1.468 -1.240 6.685 1.00 0.00 C ATOM 381 OG1 THR A 23 -2.009 -2.535 6.910 1.00 0.00 O ATOM 382 CG2 THR A 23 -2.394 -0.185 7.293 1.00 0.00 C ATOM 0 H THR A 23 0.376 -2.279 5.179 1.00 0.00 H new ATOM 0 HA THR A 23 -2.305 -0.951 4.689 1.00 0.00 H new ATOM 0 HB THR A 23 -0.486 -1.170 7.153 1.00 0.00 H new ATOM 0 HG1 THR A 23 -2.094 -2.691 7.874 1.00 0.00 H new ATOM 0 HG21 THR A 23 -2.488 -0.358 8.365 1.00 0.00 H new ATOM 0 HG22 THR A 23 -1.978 0.807 7.121 1.00 0.00 H new ATOM 0 HG23 THR A 23 -3.377 -0.252 6.827 1.00 0.00 H new ATOM 390 N VAL A 24 -1.384 1.383 4.711 1.00 0.00 N ATOM 391 CA VAL A 24 -0.766 2.723 4.472 1.00 0.00 C ATOM 392 C VAL A 24 -0.331 3.343 5.804 1.00 0.00 C ATOM 393 O VAL A 24 -1.141 3.587 6.678 1.00 0.00 O ATOM 394 CB VAL A 24 -1.869 3.564 3.817 1.00 0.00 C ATOM 395 CG1 VAL A 24 -1.337 4.967 3.514 1.00 0.00 C ATOM 396 CG2 VAL A 24 -2.313 2.901 2.509 1.00 0.00 C ATOM 0 H VAL A 24 -2.404 1.371 4.704 1.00 0.00 H new ATOM 0 HA VAL A 24 0.122 2.664 3.842 1.00 0.00 H new ATOM 0 HB VAL A 24 -2.717 3.634 4.499 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -2.123 5.562 3.049 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -1.022 5.445 4.442 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -0.487 4.895 2.836 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -3.097 3.500 2.045 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -1.463 2.828 1.831 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -2.696 1.902 2.719 1.00 0.00 H new ATOM 406 N ALA A 25 0.941 3.614 5.953 1.00 0.00 N ATOM 407 CA ALA A 25 1.437 4.238 7.216 1.00 0.00 C ATOM 408 C ALA A 25 1.256 5.757 7.162 1.00 0.00 C ATOM 409 O ALA A 25 0.872 6.378 8.137 1.00 0.00 O ATOM 410 CB ALA A 25 2.921 3.877 7.279 1.00 0.00 C ATOM 0 H ALA A 25 1.659 3.429 5.252 1.00 0.00 H new ATOM 0 HA ALA A 25 0.894 3.885 8.092 1.00 0.00 H new ATOM 0 HB1 ALA A 25 3.360 4.300 8.182 1.00 0.00 H new ATOM 0 HB2 ALA A 25 3.031 2.793 7.296 1.00 0.00 H new ATOM 0 HB3 ALA A 25 3.431 4.280 6.404 1.00 0.00 H new ATOM 416 N SER A 26 1.511 6.354 6.026 1.00 0.00 N ATOM 417 CA SER A 26 1.335 7.832 5.892 1.00 0.00 C ATOM 418 C SER A 26 1.400 8.240 4.418 1.00 0.00 C ATOM 419 O SER A 26 2.052 7.598 3.616 1.00 0.00 O ATOM 420 CB SER A 26 2.501 8.441 6.669 1.00 0.00 C ATOM 421 OG SER A 26 2.066 9.627 7.319 1.00 0.00 O ATOM 0 H SER A 26 1.835 5.880 5.183 1.00 0.00 H new ATOM 0 HA SER A 26 0.371 8.170 6.273 1.00 0.00 H new ATOM 0 HB2 SER A 26 2.876 7.727 7.403 1.00 0.00 H new ATOM 0 HB3 SER A 26 3.326 8.665 5.992 1.00 0.00 H new ATOM 0 HG SER A 26 2.812 10.018 7.819 1.00 0.00 H new ATOM 427 N VAL A 27 0.756 9.325 4.067 1.00 0.00 N ATOM 428 CA VAL A 27 0.807 9.809 2.653 1.00 0.00 C ATOM 429 C VAL A 27 1.681 11.064 2.563 1.00 0.00 C ATOM 430 O VAL A 27 1.385 12.080 3.163 1.00 0.00 O ATOM 431 CB VAL A 27 -0.645 10.134 2.285 1.00 0.00 C ATOM 432 CG1 VAL A 27 -0.716 10.612 0.831 1.00 0.00 C ATOM 433 CG2 VAL A 27 -1.510 8.879 2.443 1.00 0.00 C ATOM 0 H VAL A 27 0.196 9.897 4.699 1.00 0.00 H new ATOM 0 HA VAL A 27 1.236 9.070 1.977 1.00 0.00 H new ATOM 0 HB VAL A 27 -1.012 10.919 2.946 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -1.750 10.842 0.574 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -0.105 11.507 0.712 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -0.344 9.828 0.172 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -2.542 9.113 2.181 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -1.137 8.095 1.784 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -1.467 8.535 3.477 1.00 0.00 H new ATOM 509 N LYS A 33 9.661 9.494 -5.043 1.00 0.00 N ATOM 510 CA LYS A 33 9.071 8.820 -6.242 1.00 0.00 C ATOM 511 C LYS A 33 7.807 8.044 -5.851 1.00 0.00 C ATOM 512 O LYS A 33 6.903 7.877 -6.648 1.00 0.00 O ATOM 513 CB LYS A 33 10.160 7.866 -6.751 1.00 0.00 C ATOM 514 CG LYS A 33 10.533 6.857 -5.656 1.00 0.00 C ATOM 515 CD LYS A 33 12.047 6.633 -5.654 1.00 0.00 C ATOM 516 CE LYS A 33 12.459 5.938 -4.356 1.00 0.00 C ATOM 517 NZ LYS A 33 13.900 5.605 -4.539 1.00 0.00 N ATOM 0 HA LYS A 33 8.775 9.536 -7.008 1.00 0.00 H new ATOM 0 HB2 LYS A 33 9.807 7.339 -7.637 1.00 0.00 H new ATOM 0 HB3 LYS A 33 11.042 8.434 -7.048 1.00 0.00 H new ATOM 0 HG2 LYS A 33 10.209 7.226 -4.683 1.00 0.00 H new ATOM 0 HG3 LYS A 33 10.016 5.913 -5.827 1.00 0.00 H new ATOM 0 HD2 LYS A 33 12.336 6.026 -6.512 1.00 0.00 H new ATOM 0 HD3 LYS A 33 12.566 7.587 -5.749 1.00 0.00 H new ATOM 0 HE2 LYS A 33 12.311 6.590 -3.495 1.00 0.00 H new ATOM 0 HE3 LYS A 33 11.865 5.041 -4.183 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 14.256 5.125 -3.688 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 14.010 4.978 -5.362 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 14.441 6.479 -4.695 1.00 0.00 H new ATOM 531 N TYR A 34 7.718 7.617 -4.615 1.00 0.00 N ATOM 532 CA TYR A 34 6.489 6.906 -4.149 1.00 0.00 C ATOM 533 C TYR A 34 5.728 7.773 -3.133 1.00 0.00 C ATOM 534 O TYR A 34 6.049 7.763 -1.961 1.00 0.00 O ATOM 535 CB TYR A 34 6.999 5.626 -3.487 1.00 0.00 C ATOM 536 CG TYR A 34 7.670 4.748 -4.519 1.00 0.00 C ATOM 537 CD1 TYR A 34 6.995 4.404 -5.697 1.00 0.00 C ATOM 538 CD2 TYR A 34 8.970 4.278 -4.294 1.00 0.00 C ATOM 539 CE1 TYR A 34 7.620 3.590 -6.650 1.00 0.00 C ATOM 540 CE2 TYR A 34 9.594 3.464 -5.247 1.00 0.00 C ATOM 541 CZ TYR A 34 8.920 3.121 -6.425 1.00 0.00 C ATOM 542 OH TYR A 34 9.535 2.319 -7.365 1.00 0.00 O ATOM 0 H TYR A 34 8.445 7.731 -3.909 1.00 0.00 H new ATOM 0 HA TYR A 34 5.799 6.695 -4.966 1.00 0.00 H new ATOM 0 HB2 TYR A 34 7.703 5.872 -2.692 1.00 0.00 H new ATOM 0 HB3 TYR A 34 6.170 5.090 -3.024 1.00 0.00 H new ATOM 0 HD1 TYR A 34 5.993 4.766 -5.870 1.00 0.00 H new ATOM 0 HD2 TYR A 34 9.491 4.543 -3.386 1.00 0.00 H new ATOM 0 HE1 TYR A 34 7.099 3.324 -7.558 1.00 0.00 H new ATOM 0 HE2 TYR A 34 10.596 3.100 -5.073 1.00 0.00 H new ATOM 0 HH TYR A 34 10.434 2.082 -7.055 1.00 0.00 H new ATOM 552 N PRO A 35 4.737 8.504 -3.609 1.00 0.00 N ATOM 553 CA PRO A 35 3.936 9.381 -2.708 1.00 0.00 C ATOM 554 C PRO A 35 3.386 8.591 -1.511 1.00 0.00 C ATOM 555 O PRO A 35 3.021 9.162 -0.500 1.00 0.00 O ATOM 556 CB PRO A 35 2.793 9.864 -3.598 1.00 0.00 C ATOM 557 CG PRO A 35 3.321 9.760 -4.991 1.00 0.00 C ATOM 558 CD PRO A 35 4.273 8.594 -5.004 1.00 0.00 C ATOM 0 HA PRO A 35 4.525 10.195 -2.286 1.00 0.00 H new ATOM 0 HB2 PRO A 35 1.903 9.249 -3.466 1.00 0.00 H new ATOM 0 HB3 PRO A 35 2.511 10.889 -3.358 1.00 0.00 H new ATOM 0 HG2 PRO A 35 2.510 9.606 -5.702 1.00 0.00 H new ATOM 0 HG3 PRO A 35 3.830 10.679 -5.282 1.00 0.00 H new ATOM 0 HD2 PRO A 35 3.777 7.676 -5.321 1.00 0.00 H new ATOM 0 HD3 PRO A 35 5.102 8.762 -5.691 1.00 0.00 H new ATOM 566 N VAL A 36 3.199 7.305 -1.674 1.00 0.00 N ATOM 567 CA VAL A 36 2.524 6.503 -0.609 1.00 0.00 C ATOM 568 C VAL A 36 3.532 5.557 0.053 1.00 0.00 C ATOM 569 O VAL A 36 4.074 4.674 -0.585 1.00 0.00 O ATOM 570 CB VAL A 36 1.429 5.708 -1.335 1.00 0.00 C ATOM 571 CG1 VAL A 36 0.655 4.848 -0.329 1.00 0.00 C ATOM 572 CG2 VAL A 36 0.457 6.676 -2.023 1.00 0.00 C ATOM 0 H VAL A 36 3.485 6.776 -2.498 1.00 0.00 H new ATOM 0 HA VAL A 36 2.109 7.130 0.180 1.00 0.00 H new ATOM 0 HB VAL A 36 1.895 5.064 -2.081 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -0.120 4.287 -0.851 1.00 0.00 H new ATOM 0 HG12 VAL A 36 1.339 4.154 0.159 1.00 0.00 H new ATOM 0 HG13 VAL A 36 0.195 5.491 0.421 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -0.319 6.109 -2.537 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -0.002 7.323 -1.276 1.00 0.00 H new ATOM 0 HG23 VAL A 36 1.000 7.285 -2.746 1.00 0.00 H new ATOM 582 N ILE A 37 3.681 5.655 1.350 1.00 0.00 N ATOM 583 CA ILE A 37 4.532 4.672 2.087 1.00 0.00 C ATOM 584 C ILE A 37 3.653 3.564 2.678 1.00 0.00 C ATOM 585 O ILE A 37 2.534 3.804 3.092 1.00 0.00 O ATOM 586 CB ILE A 37 5.206 5.484 3.201 1.00 0.00 C ATOM 587 CG1 ILE A 37 6.057 6.599 2.582 1.00 0.00 C ATOM 588 CG2 ILE A 37 6.106 4.567 4.036 1.00 0.00 C ATOM 589 CD1 ILE A 37 5.976 7.851 3.459 1.00 0.00 C ATOM 0 H ILE A 37 3.250 6.374 1.931 1.00 0.00 H new ATOM 0 HA ILE A 37 5.266 4.188 1.442 1.00 0.00 H new ATOM 0 HB ILE A 37 4.438 5.921 3.839 1.00 0.00 H new ATOM 0 HG12 ILE A 37 7.093 6.272 2.491 1.00 0.00 H new ATOM 0 HG13 ILE A 37 5.704 6.824 1.575 1.00 0.00 H new ATOM 0 HG21 ILE A 37 6.583 5.147 4.826 1.00 0.00 H new ATOM 0 HG22 ILE A 37 5.505 3.774 4.480 1.00 0.00 H new ATOM 0 HG23 ILE A 37 6.871 4.127 3.396 1.00 0.00 H new ATOM 0 HD11 ILE A 37 6.581 8.643 3.019 1.00 0.00 H new ATOM 0 HD12 ILE A 37 4.939 8.181 3.527 1.00 0.00 H new ATOM 0 HD13 ILE A 37 6.350 7.621 4.457 1.00 0.00 H new ATOM 601 N VAL A 38 4.141 2.350 2.687 1.00 0.00 N ATOM 602 CA VAL A 38 3.325 1.212 3.213 1.00 0.00 C ATOM 603 C VAL A 38 4.141 0.405 4.227 1.00 0.00 C ATOM 604 O VAL A 38 5.351 0.516 4.292 1.00 0.00 O ATOM 605 CB VAL A 38 2.989 0.358 1.984 1.00 0.00 C ATOM 606 CG1 VAL A 38 2.133 -0.839 2.408 1.00 0.00 C ATOM 607 CG2 VAL A 38 2.209 1.200 0.971 1.00 0.00 C ATOM 0 H VAL A 38 5.071 2.096 2.352 1.00 0.00 H new ATOM 0 HA VAL A 38 2.425 1.550 3.727 1.00 0.00 H new ATOM 0 HB VAL A 38 3.915 0.004 1.530 1.00 0.00 H new ATOM 0 HG11 VAL A 38 1.895 -1.444 1.533 1.00 0.00 H new ATOM 0 HG12 VAL A 38 2.684 -1.443 3.129 1.00 0.00 H new ATOM 0 HG13 VAL A 38 1.209 -0.482 2.864 1.00 0.00 H new ATOM 0 HG21 VAL A 38 1.971 0.592 0.098 1.00 0.00 H new ATOM 0 HG22 VAL A 38 1.286 1.556 1.428 1.00 0.00 H new ATOM 0 HG23 VAL A 38 2.814 2.053 0.664 1.00 0.00 H new ATOM 617 N ARG A 39 3.491 -0.453 4.972 1.00 0.00 N ATOM 618 CA ARG A 39 4.228 -1.327 5.933 1.00 0.00 C ATOM 619 C ARG A 39 3.780 -2.783 5.773 1.00 0.00 C ATOM 620 O ARG A 39 2.723 -3.059 5.236 1.00 0.00 O ATOM 621 CB ARG A 39 3.851 -0.799 7.319 1.00 0.00 C ATOM 622 CG ARG A 39 4.617 -1.580 8.389 1.00 0.00 C ATOM 623 CD ARG A 39 4.495 -0.857 9.733 1.00 0.00 C ATOM 624 NE ARG A 39 3.216 -1.354 10.324 1.00 0.00 N ATOM 625 CZ ARG A 39 3.101 -2.587 10.778 1.00 0.00 C ATOM 626 NH1 ARG A 39 4.091 -3.447 10.693 1.00 0.00 N ATOM 627 NH2 ARG A 39 1.977 -2.964 11.324 1.00 0.00 N ATOM 0 H ARG A 39 2.480 -0.586 4.956 1.00 0.00 H new ATOM 0 HA ARG A 39 5.305 -1.306 5.768 1.00 0.00 H new ATOM 0 HB2 ARG A 39 4.085 0.263 7.391 1.00 0.00 H new ATOM 0 HB3 ARG A 39 2.777 -0.900 7.479 1.00 0.00 H new ATOM 0 HG2 ARG A 39 4.219 -2.592 8.471 1.00 0.00 H new ATOM 0 HG3 ARG A 39 5.666 -1.671 8.107 1.00 0.00 H new ATOM 0 HD2 ARG A 39 5.343 -1.082 10.380 1.00 0.00 H new ATOM 0 HD3 ARG A 39 4.474 0.225 9.599 1.00 0.00 H new ATOM 0 HE ARG A 39 2.414 -0.726 10.378 1.00 0.00 H new ATOM 0 HH11 ARG A 39 4.975 -3.167 10.268 1.00 0.00 H new ATOM 0 HH12 ARG A 39 3.976 -4.395 11.052 1.00 0.00 H new ATOM 0 HH21 ARG A 39 1.200 -2.308 11.396 1.00 0.00 H new ATOM 0 HH22 ARG A 39 1.876 -3.915 11.679 1.00 0.00 H new ATOM 641 N PHE A 40 4.568 -3.711 6.252 1.00 0.00 N ATOM 642 CA PHE A 40 4.186 -5.152 6.150 1.00 0.00 C ATOM 643 C PHE A 40 4.486 -5.873 7.467 1.00 0.00 C ATOM 644 O PHE A 40 4.962 -5.277 8.416 1.00 0.00 O ATOM 645 CB PHE A 40 5.054 -5.712 5.023 1.00 0.00 C ATOM 646 CG PHE A 40 4.706 -5.021 3.726 1.00 0.00 C ATOM 647 CD1 PHE A 40 3.452 -5.222 3.140 1.00 0.00 C ATOM 648 CD2 PHE A 40 5.640 -4.178 3.112 1.00 0.00 C ATOM 649 CE1 PHE A 40 3.130 -4.580 1.938 1.00 0.00 C ATOM 650 CE2 PHE A 40 5.318 -3.536 1.910 1.00 0.00 C ATOM 651 CZ PHE A 40 4.063 -3.737 1.323 1.00 0.00 C ATOM 0 H PHE A 40 5.462 -3.533 6.710 1.00 0.00 H new ATOM 0 HA PHE A 40 3.123 -5.285 5.951 1.00 0.00 H new ATOM 0 HB2 PHE A 40 6.109 -5.564 5.254 1.00 0.00 H new ATOM 0 HB3 PHE A 40 4.896 -6.786 4.928 1.00 0.00 H new ATOM 0 HD1 PHE A 40 2.732 -5.872 3.615 1.00 0.00 H new ATOM 0 HD2 PHE A 40 6.608 -4.023 3.565 1.00 0.00 H new ATOM 0 HE1 PHE A 40 2.162 -4.735 1.485 1.00 0.00 H new ATOM 0 HE2 PHE A 40 6.038 -2.886 1.436 1.00 0.00 H new ATOM 0 HZ PHE A 40 3.815 -3.242 0.396 1.00 0.00 H new ATOM 661 N GLU A 41 4.249 -7.160 7.515 1.00 0.00 N ATOM 662 CA GLU A 41 4.561 -7.939 8.750 1.00 0.00 C ATOM 663 C GLU A 41 5.717 -8.907 8.487 1.00 0.00 C ATOM 664 O GLU A 41 6.516 -9.184 9.362 1.00 0.00 O ATOM 665 CB GLU A 41 3.278 -8.708 9.067 1.00 0.00 C ATOM 666 CG GLU A 41 2.250 -7.756 9.682 1.00 0.00 C ATOM 667 CD GLU A 41 0.839 -8.280 9.405 1.00 0.00 C ATOM 668 OE1 GLU A 41 0.627 -9.469 9.573 1.00 0.00 O ATOM 669 OE2 GLU A 41 -0.005 -7.482 9.030 1.00 0.00 O ATOM 0 H GLU A 41 3.852 -7.705 6.750 1.00 0.00 H new ATOM 0 HA GLU A 41 4.867 -7.298 9.577 1.00 0.00 H new ATOM 0 HB2 GLU A 41 2.876 -9.156 8.158 1.00 0.00 H new ATOM 0 HB3 GLU A 41 3.492 -9.524 9.757 1.00 0.00 H new ATOM 0 HG2 GLU A 41 2.414 -7.672 10.756 1.00 0.00 H new ATOM 0 HG3 GLU A 41 2.367 -6.757 9.262 1.00 0.00 H new ATOM 676 N LYS A 42 5.824 -9.402 7.280 1.00 0.00 N ATOM 677 CA LYS A 42 6.944 -10.330 6.941 1.00 0.00 C ATOM 678 C LYS A 42 8.188 -9.534 6.538 1.00 0.00 C ATOM 679 O LYS A 42 8.106 -8.365 6.212 1.00 0.00 O ATOM 680 CB LYS A 42 6.431 -11.155 5.760 1.00 0.00 C ATOM 681 CG LYS A 42 7.281 -12.418 5.612 1.00 0.00 C ATOM 682 CD LYS A 42 6.625 -13.360 4.599 1.00 0.00 C ATOM 683 CE LYS A 42 7.426 -14.661 4.518 1.00 0.00 C ATOM 684 NZ LYS A 42 6.974 -15.312 3.257 1.00 0.00 N ATOM 0 H LYS A 42 5.182 -9.203 6.513 1.00 0.00 H new ATOM 0 HA LYS A 42 7.229 -10.958 7.785 1.00 0.00 H new ATOM 0 HB2 LYS A 42 5.386 -11.423 5.917 1.00 0.00 H new ATOM 0 HB3 LYS A 42 6.475 -10.565 4.844 1.00 0.00 H new ATOM 0 HG2 LYS A 42 8.286 -12.156 5.283 1.00 0.00 H new ATOM 0 HG3 LYS A 42 7.381 -12.917 6.576 1.00 0.00 H new ATOM 0 HD2 LYS A 42 5.597 -13.571 4.895 1.00 0.00 H new ATOM 0 HD3 LYS A 42 6.583 -12.885 3.619 1.00 0.00 H new ATOM 0 HE2 LYS A 42 8.498 -14.464 4.499 1.00 0.00 H new ATOM 0 HE3 LYS A 42 7.234 -15.297 5.382 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 7.479 -16.212 3.131 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 5.951 -15.493 3.307 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 7.176 -14.686 2.451 1.00 0.00 H new ATOM 698 N VAL A 43 9.327 -10.177 6.500 1.00 0.00 N ATOM 699 CA VAL A 43 10.572 -9.484 6.051 1.00 0.00 C ATOM 700 C VAL A 43 11.005 -10.007 4.678 1.00 0.00 C ATOM 701 O VAL A 43 10.260 -10.692 4.003 1.00 0.00 O ATOM 702 CB VAL A 43 11.627 -9.811 7.115 1.00 0.00 C ATOM 703 CG1 VAL A 43 11.184 -9.238 8.463 1.00 0.00 C ATOM 704 CG2 VAL A 43 11.794 -11.331 7.242 1.00 0.00 C ATOM 0 H VAL A 43 9.449 -11.155 6.762 1.00 0.00 H new ATOM 0 HA VAL A 43 10.427 -8.409 5.948 1.00 0.00 H new ATOM 0 HB VAL A 43 12.579 -9.369 6.819 1.00 0.00 H new ATOM 0 HG11 VAL A 43 11.933 -9.470 9.221 1.00 0.00 H new ATOM 0 HG12 VAL A 43 11.074 -8.157 8.380 1.00 0.00 H new ATOM 0 HG13 VAL A 43 10.229 -9.679 8.750 1.00 0.00 H new ATOM 0 HG21 VAL A 43 12.545 -11.552 8.000 1.00 0.00 H new ATOM 0 HG22 VAL A 43 10.843 -11.779 7.532 1.00 0.00 H new ATOM 0 HG23 VAL A 43 12.112 -11.743 6.284 1.00 0.00 H new ATOM 714 N ASN A 44 12.217 -9.717 4.279 1.00 0.00 N ATOM 715 CA ASN A 44 12.722 -10.225 2.968 1.00 0.00 C ATOM 716 C ASN A 44 14.193 -10.639 3.089 1.00 0.00 C ATOM 717 O ASN A 44 14.692 -10.869 4.176 1.00 0.00 O ATOM 718 CB ASN A 44 12.565 -9.052 1.991 1.00 0.00 C ATOM 719 CG ASN A 44 13.352 -7.838 2.496 1.00 0.00 C ATOM 720 OD1 ASN A 44 14.531 -7.934 2.775 1.00 0.00 O ATOM 721 ND2 ASN A 44 12.743 -6.690 2.626 1.00 0.00 N ATOM 0 H ASN A 44 12.880 -9.149 4.806 1.00 0.00 H new ATOM 0 HA ASN A 44 12.174 -11.105 2.631 1.00 0.00 H new ATOM 0 HB2 ASN A 44 12.922 -9.341 1.003 1.00 0.00 H new ATOM 0 HB3 ASN A 44 11.511 -8.794 1.886 1.00 0.00 H new ATOM 0 HD21 ASN A 44 13.257 -5.875 2.961 1.00 0.00 H new ATOM 0 HD22 ASN A 44 11.754 -6.608 2.392 1.00 0.00 H new ATOM 728 N TYR A 45 14.862 -10.818 1.978 1.00 0.00 N ATOM 729 CA TYR A 45 16.273 -11.316 2.017 1.00 0.00 C ATOM 730 C TYR A 45 17.159 -10.343 2.799 1.00 0.00 C ATOM 731 O TYR A 45 18.086 -10.744 3.478 1.00 0.00 O ATOM 732 CB TYR A 45 16.717 -11.385 0.554 1.00 0.00 C ATOM 733 CG TYR A 45 15.854 -12.378 -0.188 1.00 0.00 C ATOM 734 CD1 TYR A 45 15.879 -13.732 0.167 1.00 0.00 C ATOM 735 CD2 TYR A 45 15.029 -11.943 -1.233 1.00 0.00 C ATOM 736 CE1 TYR A 45 15.078 -14.650 -0.522 1.00 0.00 C ATOM 737 CE2 TYR A 45 14.229 -12.862 -1.921 1.00 0.00 C ATOM 738 CZ TYR A 45 14.253 -14.216 -1.566 1.00 0.00 C ATOM 739 OH TYR A 45 13.464 -15.122 -2.244 1.00 0.00 O ATOM 0 H TYR A 45 14.492 -10.641 1.044 1.00 0.00 H new ATOM 0 HA TYR A 45 16.350 -12.284 2.511 1.00 0.00 H new ATOM 0 HB2 TYR A 45 16.637 -10.401 0.092 1.00 0.00 H new ATOM 0 HB3 TYR A 45 17.764 -11.681 0.494 1.00 0.00 H new ATOM 0 HD1 TYR A 45 16.516 -14.068 0.972 1.00 0.00 H new ATOM 0 HD2 TYR A 45 15.010 -10.899 -1.508 1.00 0.00 H new ATOM 0 HE1 TYR A 45 15.097 -15.694 -0.248 1.00 0.00 H new ATOM 0 HE2 TYR A 45 13.593 -12.527 -2.726 1.00 0.00 H new ATOM 0 HH TYR A 45 12.952 -14.656 -2.938 1.00 0.00 H new ATOM 749 N SER A 46 16.861 -9.070 2.730 1.00 0.00 N ATOM 750 CA SER A 46 17.661 -8.065 3.492 1.00 0.00 C ATOM 751 C SER A 46 17.190 -8.007 4.947 1.00 0.00 C ATOM 752 O SER A 46 17.973 -8.152 5.868 1.00 0.00 O ATOM 753 CB SER A 46 17.397 -6.734 2.791 1.00 0.00 C ATOM 754 OG SER A 46 18.363 -6.544 1.764 1.00 0.00 O ATOM 0 H SER A 46 16.096 -8.683 2.177 1.00 0.00 H new ATOM 0 HA SER A 46 18.722 -8.312 3.511 1.00 0.00 H new ATOM 0 HB2 SER A 46 16.393 -6.726 2.368 1.00 0.00 H new ATOM 0 HB3 SER A 46 17.447 -5.915 3.509 1.00 0.00 H new ATOM 0 HG SER A 46 18.195 -5.691 1.311 1.00 0.00 H new ATOM 760 N GLY A 47 15.912 -7.819 5.160 1.00 0.00 N ATOM 761 CA GLY A 47 15.376 -7.778 6.551 1.00 0.00 C ATOM 762 C GLY A 47 14.780 -6.397 6.830 1.00 0.00 C ATOM 763 O GLY A 47 15.281 -5.650 7.650 1.00 0.00 O ATOM 0 H GLY A 47 15.215 -7.692 4.426 1.00 0.00 H new ATOM 0 HA2 GLY A 47 14.615 -8.547 6.681 1.00 0.00 H new ATOM 0 HA3 GLY A 47 16.171 -7.993 7.265 1.00 0.00 H new ATOM 767 N ILE A 55 13.700 -6.064 6.169 1.00 0.00 N ATOM 768 CA ILE A 55 13.045 -4.743 6.408 1.00 0.00 C ATOM 769 C ILE A 55 11.581 -4.951 6.812 1.00 0.00 C ATOM 770 O ILE A 55 11.039 -6.030 6.671 1.00 0.00 O ATOM 771 CB ILE A 55 13.140 -4.002 5.068 1.00 0.00 C ATOM 772 CG1 ILE A 55 14.611 -3.827 4.679 1.00 0.00 C ATOM 773 CG2 ILE A 55 12.484 -2.623 5.191 1.00 0.00 C ATOM 774 CD1 ILE A 55 14.753 -3.932 3.159 1.00 0.00 C ATOM 0 H ILE A 55 13.243 -6.652 5.472 1.00 0.00 H new ATOM 0 HA ILE A 55 13.520 -4.182 7.213 1.00 0.00 H new ATOM 0 HB ILE A 55 12.626 -4.583 4.303 1.00 0.00 H new ATOM 0 HG12 ILE A 55 14.977 -2.859 5.023 1.00 0.00 H new ATOM 0 HG13 ILE A 55 15.220 -4.589 5.165 1.00 0.00 H new ATOM 0 HG21 ILE A 55 12.554 -2.100 4.237 1.00 0.00 H new ATOM 0 HG22 ILE A 55 11.435 -2.742 5.464 1.00 0.00 H new ATOM 0 HG23 ILE A 55 12.995 -2.044 5.960 1.00 0.00 H new ATOM 0 HD11 ILE A 55 15.800 -3.807 2.882 1.00 0.00 H new ATOM 0 HD12 ILE A 55 14.404 -4.910 2.828 1.00 0.00 H new ATOM 0 HD13 ILE A 55 14.157 -3.153 2.683 1.00 0.00 H new ATOM 786 N ASN A 56 10.941 -3.920 7.305 1.00 0.00 N ATOM 787 CA ASN A 56 9.508 -4.045 7.709 1.00 0.00 C ATOM 788 C ASN A 56 8.640 -3.076 6.898 1.00 0.00 C ATOM 789 O ASN A 56 7.527 -3.394 6.523 1.00 0.00 O ATOM 790 CB ASN A 56 9.476 -3.687 9.200 1.00 0.00 C ATOM 791 CG ASN A 56 10.024 -2.271 9.413 1.00 0.00 C ATOM 792 OD1 ASN A 56 11.156 -1.988 9.075 1.00 0.00 O ATOM 793 ND2 ASN A 56 9.262 -1.366 9.962 1.00 0.00 N ATOM 0 H ASN A 56 11.350 -2.996 7.445 1.00 0.00 H new ATOM 0 HA ASN A 56 9.116 -5.046 7.527 1.00 0.00 H new ATOM 0 HB2 ASN A 56 8.455 -3.751 9.575 1.00 0.00 H new ATOM 0 HB3 ASN A 56 10.069 -4.404 9.767 1.00 0.00 H new ATOM 0 HD21 ASN A 56 9.617 -0.421 10.107 1.00 0.00 H new ATOM 0 HD22 ASN A 56 8.312 -1.603 10.246 1.00 0.00 H new ATOM 800 N THR A 57 9.142 -1.897 6.633 1.00 0.00 N ATOM 801 CA THR A 57 8.351 -0.898 5.853 1.00 0.00 C ATOM 802 C THR A 57 9.065 -0.569 4.538 1.00 0.00 C ATOM 803 O THR A 57 10.250 -0.798 4.393 1.00 0.00 O ATOM 804 CB THR A 57 8.282 0.339 6.749 1.00 0.00 C ATOM 805 OG1 THR A 57 9.600 0.775 7.056 1.00 0.00 O ATOM 806 CG2 THR A 57 7.543 -0.006 8.043 1.00 0.00 C ATOM 0 H THR A 57 10.068 -1.582 6.924 1.00 0.00 H new ATOM 0 HA THR A 57 7.360 -1.268 5.592 1.00 0.00 H new ATOM 0 HB THR A 57 7.748 1.134 6.229 1.00 0.00 H new ATOM 0 HG1 THR A 57 9.557 1.569 7.629 1.00 0.00 H new ATOM 0 HG21 THR A 57 7.495 0.877 8.681 1.00 0.00 H new ATOM 0 HG22 THR A 57 6.532 -0.339 7.807 1.00 0.00 H new ATOM 0 HG23 THR A 57 8.075 -0.802 8.565 1.00 0.00 H new ATOM 814 N ASN A 58 8.359 0.013 3.602 1.00 0.00 N ATOM 815 CA ASN A 58 9.000 0.418 2.315 1.00 0.00 C ATOM 816 C ASN A 58 8.232 1.589 1.690 1.00 0.00 C ATOM 817 O ASN A 58 7.527 2.311 2.369 1.00 0.00 O ATOM 818 CB ASN A 58 8.920 -0.826 1.419 1.00 0.00 C ATOM 819 CG ASN A 58 10.302 -1.136 0.835 1.00 0.00 C ATOM 820 OD1 ASN A 58 10.685 -2.285 0.731 1.00 0.00 O ATOM 821 ND2 ASN A 58 11.070 -0.155 0.448 1.00 0.00 N ATOM 0 H ASN A 58 7.364 0.225 3.674 1.00 0.00 H new ATOM 0 HA ASN A 58 10.029 0.751 2.451 1.00 0.00 H new ATOM 0 HB2 ASN A 58 8.560 -1.678 1.996 1.00 0.00 H new ATOM 0 HB3 ASN A 58 8.204 -0.660 0.614 1.00 0.00 H new ATOM 0 HD21 ASN A 58 11.992 -0.352 0.058 1.00 0.00 H new ATOM 0 HD22 ASN A 58 10.749 0.809 0.535 1.00 0.00 H new ATOM 828 N ASN A 59 8.352 1.767 0.399 1.00 0.00 N ATOM 829 CA ASN A 59 7.618 2.875 -0.282 1.00 0.00 C ATOM 830 C ASN A 59 6.942 2.358 -1.556 1.00 0.00 C ATOM 831 O ASN A 59 7.459 1.490 -2.232 1.00 0.00 O ATOM 832 CB ASN A 59 8.692 3.909 -0.625 1.00 0.00 C ATOM 833 CG ASN A 59 8.838 4.896 0.534 1.00 0.00 C ATOM 834 OD1 ASN A 59 9.382 4.562 1.568 1.00 0.00 O ATOM 835 ND2 ASN A 59 8.374 6.109 0.404 1.00 0.00 N ATOM 0 H ASN A 59 8.929 1.191 -0.214 1.00 0.00 H new ATOM 0 HA ASN A 59 6.832 3.297 0.345 1.00 0.00 H new ATOM 0 HB2 ASN A 59 9.643 3.412 -0.815 1.00 0.00 H new ATOM 0 HB3 ASN A 59 8.422 4.441 -1.538 1.00 0.00 H new ATOM 0 HD21 ASN A 59 8.468 6.776 1.170 1.00 0.00 H new ATOM 0 HD22 ASN A 59 7.917 6.390 -0.464 1.00 0.00 H new ATOM 842 N PHE A 60 5.787 2.883 -1.879 1.00 0.00 N ATOM 843 CA PHE A 60 5.065 2.420 -3.103 1.00 0.00 C ATOM 844 C PHE A 60 4.299 3.584 -3.738 1.00 0.00 C ATOM 845 O PHE A 60 3.815 4.466 -3.052 1.00 0.00 O ATOM 846 CB PHE A 60 4.094 1.346 -2.611 1.00 0.00 C ATOM 847 CG PHE A 60 4.870 0.194 -2.018 1.00 0.00 C ATOM 848 CD1 PHE A 60 5.337 -0.835 -2.846 1.00 0.00 C ATOM 849 CD2 PHE A 60 5.124 0.155 -0.643 1.00 0.00 C ATOM 850 CE1 PHE A 60 6.055 -1.904 -2.295 1.00 0.00 C ATOM 851 CE2 PHE A 60 5.843 -0.913 -0.092 1.00 0.00 C ATOM 852 CZ PHE A 60 6.309 -1.942 -0.919 1.00 0.00 C ATOM 0 H PHE A 60 5.313 3.613 -1.347 1.00 0.00 H new ATOM 0 HA PHE A 60 5.747 2.036 -3.862 1.00 0.00 H new ATOM 0 HB2 PHE A 60 3.420 1.766 -1.865 1.00 0.00 H new ATOM 0 HB3 PHE A 60 3.476 0.994 -3.437 1.00 0.00 H new ATOM 0 HD1 PHE A 60 5.144 -0.804 -3.908 1.00 0.00 H new ATOM 0 HD2 PHE A 60 4.765 0.950 -0.006 1.00 0.00 H new ATOM 0 HE1 PHE A 60 6.413 -2.699 -2.932 1.00 0.00 H new ATOM 0 HE2 PHE A 60 6.038 -0.943 0.970 1.00 0.00 H new ATOM 0 HZ PHE A 60 6.865 -2.765 -0.495 1.00 0.00 H new ATOM 862 N ALA A 61 4.154 3.571 -5.038 1.00 0.00 N ATOM 863 CA ALA A 61 3.381 4.651 -5.722 1.00 0.00 C ATOM 864 C ALA A 61 1.881 4.353 -5.650 1.00 0.00 C ATOM 865 O ALA A 61 1.468 3.209 -5.603 1.00 0.00 O ATOM 866 CB ALA A 61 3.864 4.624 -7.173 1.00 0.00 C ATOM 0 H ALA A 61 4.539 2.857 -5.657 1.00 0.00 H new ATOM 0 HA ALA A 61 3.534 5.626 -5.259 1.00 0.00 H new ATOM 0 HB1 ALA A 61 3.342 5.391 -7.745 1.00 0.00 H new ATOM 0 HB2 ALA A 61 4.937 4.816 -7.203 1.00 0.00 H new ATOM 0 HB3 ALA A 61 3.658 3.645 -7.607 1.00 0.00 H new ATOM 872 N GLU A 62 1.065 5.377 -5.634 1.00 0.00 N ATOM 873 CA GLU A 62 -0.414 5.163 -5.556 1.00 0.00 C ATOM 874 C GLU A 62 -0.901 4.361 -6.768 1.00 0.00 C ATOM 875 O GLU A 62 -1.813 3.561 -6.666 1.00 0.00 O ATOM 876 CB GLU A 62 -1.033 6.567 -5.547 1.00 0.00 C ATOM 877 CG GLU A 62 -0.636 7.327 -6.818 1.00 0.00 C ATOM 878 CD GLU A 62 -0.510 8.818 -6.503 1.00 0.00 C ATOM 879 OE1 GLU A 62 -1.319 9.311 -5.736 1.00 0.00 O ATOM 880 OE2 GLU A 62 0.394 9.442 -7.034 1.00 0.00 O ATOM 0 H GLU A 62 1.359 6.353 -5.672 1.00 0.00 H new ATOM 0 HA GLU A 62 -0.697 4.596 -4.669 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -2.119 6.494 -5.482 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -0.697 7.115 -4.667 1.00 0.00 H new ATOM 0 HG2 GLU A 62 0.310 6.945 -7.203 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -1.383 7.171 -7.596 1.00 0.00 H new ATOM 887 N ASP A 63 -0.241 4.509 -7.889 1.00 0.00 N ATOM 888 CA ASP A 63 -0.599 3.687 -9.088 1.00 0.00 C ATOM 889 C ASP A 63 -0.212 2.219 -8.869 1.00 0.00 C ATOM 890 O ASP A 63 -0.750 1.329 -9.500 1.00 0.00 O ATOM 891 CB ASP A 63 0.199 4.292 -10.250 1.00 0.00 C ATOM 892 CG ASP A 63 1.699 4.243 -9.942 1.00 0.00 C ATOM 893 OD1 ASP A 63 2.212 3.151 -9.761 1.00 0.00 O ATOM 894 OD2 ASP A 63 2.309 5.299 -9.894 1.00 0.00 O ATOM 0 H ASP A 63 0.530 5.163 -8.027 1.00 0.00 H new ATOM 0 HA ASP A 63 -1.671 3.701 -9.285 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -0.009 3.744 -11.169 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -0.112 5.323 -10.417 1.00 0.00 H new ATOM 899 N GLU A 64 0.729 1.962 -7.992 1.00 0.00 N ATOM 900 CA GLU A 64 1.168 0.555 -7.746 1.00 0.00 C ATOM 901 C GLU A 64 0.439 -0.025 -6.530 1.00 0.00 C ATOM 902 O GLU A 64 0.936 -0.920 -5.871 1.00 0.00 O ATOM 903 CB GLU A 64 2.670 0.653 -7.474 1.00 0.00 C ATOM 904 CG GLU A 64 3.435 0.637 -8.799 1.00 0.00 C ATOM 905 CD GLU A 64 4.657 1.552 -8.697 1.00 0.00 C ATOM 906 OE1 GLU A 64 5.228 1.629 -7.620 1.00 0.00 O ATOM 907 OE2 GLU A 64 5.003 2.161 -9.695 1.00 0.00 O ATOM 0 H GLU A 64 1.212 2.668 -7.436 1.00 0.00 H new ATOM 0 HA GLU A 64 0.946 -0.100 -8.589 1.00 0.00 H new ATOM 0 HB2 GLU A 64 2.891 1.569 -6.926 1.00 0.00 H new ATOM 0 HB3 GLU A 64 2.991 -0.179 -6.847 1.00 0.00 H new ATOM 0 HG2 GLU A 64 3.748 -0.379 -9.038 1.00 0.00 H new ATOM 0 HG3 GLU A 64 2.786 0.969 -9.609 1.00 0.00 H new ATOM 914 N LEU A 65 -0.746 0.455 -6.249 1.00 0.00 N ATOM 915 CA LEU A 65 -1.528 -0.092 -5.100 1.00 0.00 C ATOM 916 C LEU A 65 -3.002 -0.241 -5.485 1.00 0.00 C ATOM 917 O LEU A 65 -3.632 0.700 -5.931 1.00 0.00 O ATOM 918 CB LEU A 65 -1.368 0.942 -3.984 1.00 0.00 C ATOM 919 CG LEU A 65 0.073 0.924 -3.471 1.00 0.00 C ATOM 920 CD1 LEU A 65 0.269 2.055 -2.460 1.00 0.00 C ATOM 921 CD2 LEU A 65 0.358 -0.419 -2.795 1.00 0.00 C ATOM 0 H LEU A 65 -1.206 1.204 -6.767 1.00 0.00 H new ATOM 0 HA LEU A 65 -1.178 -1.079 -4.796 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -1.620 1.935 -4.356 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -2.058 0.722 -3.169 1.00 0.00 H new ATOM 0 HG LEU A 65 0.758 1.062 -4.308 1.00 0.00 H new ATOM 0 HD11 LEU A 65 1.296 2.042 -2.094 1.00 0.00 H new ATOM 0 HD12 LEU A 65 0.067 3.012 -2.941 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -0.416 1.918 -1.623 1.00 0.00 H new ATOM 0 HD21 LEU A 65 1.385 -0.432 -2.430 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -0.327 -0.558 -1.958 1.00 0.00 H new ATOM 0 HD23 LEU A 65 0.219 -1.225 -3.515 1.00 0.00 H new ATOM 933 N VAL A 66 -3.576 -1.388 -5.226 1.00 0.00 N ATOM 934 CA VAL A 66 -5.038 -1.574 -5.476 1.00 0.00 C ATOM 935 C VAL A 66 -5.804 -1.528 -4.150 1.00 0.00 C ATOM 936 O VAL A 66 -5.372 -2.083 -3.157 1.00 0.00 O ATOM 937 CB VAL A 66 -5.161 -2.957 -6.127 1.00 0.00 C ATOM 938 CG1 VAL A 66 -6.631 -3.253 -6.438 1.00 0.00 C ATOM 939 CG2 VAL A 66 -4.356 -2.986 -7.429 1.00 0.00 C ATOM 0 H VAL A 66 -3.095 -2.206 -4.851 1.00 0.00 H new ATOM 0 HA VAL A 66 -5.454 -0.793 -6.112 1.00 0.00 H new ATOM 0 HB VAL A 66 -4.775 -3.710 -5.440 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -6.714 -4.237 -6.900 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -7.209 -3.236 -5.514 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -7.018 -2.497 -7.121 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -4.445 -3.970 -7.890 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -4.742 -2.229 -8.112 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -3.308 -2.780 -7.213 1.00 0.00 H new ATOM 949 N GLU A 67 -6.941 -0.880 -4.134 1.00 0.00 N ATOM 950 CA GLU A 67 -7.748 -0.802 -2.879 1.00 0.00 C ATOM 951 C GLU A 67 -8.534 -2.101 -2.675 1.00 0.00 C ATOM 952 O GLU A 67 -9.300 -2.512 -3.525 1.00 0.00 O ATOM 953 CB GLU A 67 -8.702 0.374 -3.090 1.00 0.00 C ATOM 954 CG GLU A 67 -8.885 1.126 -1.770 1.00 0.00 C ATOM 955 CD GLU A 67 -9.879 0.373 -0.885 1.00 0.00 C ATOM 956 OE1 GLU A 67 -10.990 0.146 -1.335 1.00 0.00 O ATOM 957 OE2 GLU A 67 -9.512 0.033 0.228 1.00 0.00 O ATOM 0 H GLU A 67 -7.346 -0.400 -4.938 1.00 0.00 H new ATOM 0 HA GLU A 67 -7.124 -0.665 -1.996 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -8.305 1.046 -3.851 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -9.665 0.014 -3.452 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -7.927 1.222 -1.259 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -9.246 2.136 -1.962 1.00 0.00 H new ATOM 964 N VAL A 68 -8.346 -2.746 -1.551 1.00 0.00 N ATOM 965 CA VAL A 68 -9.079 -4.021 -1.281 1.00 0.00 C ATOM 966 C VAL A 68 -9.561 -4.058 0.174 1.00 0.00 C ATOM 967 O VAL A 68 -9.194 -4.935 0.935 1.00 0.00 O ATOM 968 CB VAL A 68 -8.063 -5.137 -1.550 1.00 0.00 C ATOM 969 CG1 VAL A 68 -7.636 -5.092 -3.018 1.00 0.00 C ATOM 970 CG2 VAL A 68 -6.828 -4.953 -0.656 1.00 0.00 C ATOM 0 H VAL A 68 -7.716 -2.444 -0.808 1.00 0.00 H new ATOM 0 HA VAL A 68 -9.965 -4.127 -1.907 1.00 0.00 H new ATOM 0 HB VAL A 68 -8.524 -6.099 -1.328 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -6.913 -5.885 -3.211 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -8.509 -5.233 -3.655 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -7.181 -4.126 -3.235 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -6.113 -5.751 -0.855 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -6.365 -3.989 -0.869 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -7.128 -4.988 0.391 1.00 0.00 H new