USER MOD reduce.3.24.130724 H: found=0, std=0, add=405, rem=0, adj=14 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 16 ASN :FLIP amide:sc= 0.175 X(o=-0.085,f=0.33) USER MOD Set 1.2: A 18 GLN :FLIP amide:sc= -0.0847 F(o=-0.53,f=0.33) USER MOD Set 1.3: A 28 SER OG : rot -92:sc= 0.236 USER MOD Single : A 14 LYS NZ :NH3+ -178:sc= 0.0206 (180deg=0.0202) USER MOD Single : A 19 GLN :FLIP amide:sc= -0.191 F(o=-1,f=-0.19) USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 ASN : amide:sc= -3.3! C(o=-3.3!,f=-7.4!) USER MOD Single : A 26 SER OG : rot 44:sc= -0.0161 USER MOD Single : A 29 LYS NZ :NH3+ 166:sc= -0.0632 (180deg=-0.32) USER MOD Single : A 34 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 ASN :FLIP amide:sc= -0.486 F(o=-0.99,f=-0.49) USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 120:sc= 2.08 USER MOD Single : A 58 ASN : amide:sc= -0.344 K(o=-0.34,f=-3!) USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 116 N LEU A 9 -11.230 -5.080 -0.367 1.00 0.00 N ATOM 117 CA LEU A 9 -10.938 -3.738 0.126 1.00 0.00 C ATOM 118 C LEU A 9 -10.163 -2.933 -0.911 1.00 0.00 C ATOM 119 O LEU A 9 -9.082 -3.334 -1.342 1.00 0.00 O ATOM 120 CB LEU A 9 -10.140 -3.816 1.430 1.00 0.00 C ATOM 121 CG LEU A 9 -9.707 -2.473 2.011 1.00 0.00 C ATOM 122 CD1 LEU A 9 -10.918 -1.638 2.398 1.00 0.00 C ATOM 123 CD2 LEU A 9 -8.795 -2.681 3.209 1.00 0.00 C ATOM 0 HA LEU A 9 -11.885 -3.233 0.316 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -10.742 -4.338 2.174 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -9.251 -4.422 1.257 1.00 0.00 H new ATOM 0 HG LEU A 9 -9.152 -1.932 1.245 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -10.586 -0.685 2.810 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -11.533 -1.458 1.516 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -11.504 -2.172 3.146 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -8.496 -1.713 3.611 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -9.326 -3.244 3.977 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -7.909 -3.235 2.900 1.00 0.00 H new ATOM 135 N VAL A 10 -10.719 -1.792 -1.303 1.00 0.00 N ATOM 136 CA VAL A 10 -10.081 -0.929 -2.288 1.00 0.00 C ATOM 137 C VAL A 10 -9.408 0.260 -1.611 1.00 0.00 C ATOM 138 O VAL A 10 -9.987 0.894 -0.730 1.00 0.00 O ATOM 139 CB VAL A 10 -11.097 -0.411 -3.324 1.00 0.00 C ATOM 140 CG1 VAL A 10 -10.394 0.377 -4.419 1.00 0.00 C ATOM 141 CG2 VAL A 10 -11.891 -1.565 -3.916 1.00 0.00 C ATOM 0 H VAL A 10 -11.611 -1.444 -0.953 1.00 0.00 H new ATOM 0 HA VAL A 10 -9.329 -1.529 -2.801 1.00 0.00 H new ATOM 0 HB VAL A 10 -11.792 0.258 -2.817 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -11.130 0.734 -5.140 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -9.875 1.228 -3.979 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -9.673 -0.266 -4.924 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -12.604 -1.180 -4.646 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -11.210 -2.261 -4.406 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -12.429 -2.082 -3.121 1.00 0.00 H new ATOM 151 N VAL A 11 -8.181 0.554 -2.026 1.00 0.00 N ATOM 152 CA VAL A 11 -7.428 1.662 -1.454 1.00 0.00 C ATOM 153 C VAL A 11 -6.931 2.610 -2.544 1.00 0.00 C ATOM 154 O VAL A 11 -6.660 2.188 -3.669 1.00 0.00 O ATOM 155 CB VAL A 11 -6.233 1.150 -0.625 1.00 0.00 C ATOM 156 CG1 VAL A 11 -5.159 0.555 -1.524 1.00 0.00 C ATOM 157 CG2 VAL A 11 -5.665 2.262 0.241 1.00 0.00 C ATOM 0 H VAL A 11 -7.687 0.040 -2.756 1.00 0.00 H new ATOM 0 HA VAL A 11 -8.103 2.209 -0.796 1.00 0.00 H new ATOM 0 HB VAL A 11 -6.591 0.358 0.032 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -4.328 0.202 -0.913 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -5.577 -0.280 -2.086 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -4.802 1.317 -2.217 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -4.823 1.880 0.818 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -5.328 3.081 -0.394 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -6.436 2.624 0.921 1.00 0.00 H new ATOM 167 N ARG A 12 -6.819 3.891 -2.203 1.00 0.00 N ATOM 168 CA ARG A 12 -6.366 4.900 -3.157 1.00 0.00 C ATOM 169 C ARG A 12 -5.093 5.588 -2.672 1.00 0.00 C ATOM 170 O ARG A 12 -4.952 5.900 -1.490 1.00 0.00 O ATOM 171 CB ARG A 12 -7.464 5.940 -3.383 1.00 0.00 C ATOM 172 CG ARG A 12 -7.116 6.975 -4.440 1.00 0.00 C ATOM 173 CD ARG A 12 -8.212 8.019 -4.578 1.00 0.00 C ATOM 174 NE ARG A 12 -8.450 8.732 -3.325 1.00 0.00 N ATOM 175 CZ ARG A 12 -9.372 9.678 -3.178 1.00 0.00 C ATOM 176 NH1 ARG A 12 -10.148 10.020 -4.198 1.00 0.00 N ATOM 177 NH2 ARG A 12 -9.523 10.283 -2.007 1.00 0.00 N ATOM 0 H ARG A 12 -7.035 4.255 -1.275 1.00 0.00 H new ATOM 0 HA ARG A 12 -6.144 4.397 -4.098 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -8.381 5.429 -3.675 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -7.669 6.450 -2.442 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -6.178 7.463 -4.178 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -6.961 6.480 -5.399 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -7.937 8.733 -5.355 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -9.134 7.536 -4.901 1.00 0.00 H new ATOM 0 HE ARG A 12 -7.876 8.490 -2.517 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -10.039 9.556 -5.100 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -10.854 10.747 -4.080 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -8.931 10.022 -1.218 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -10.231 11.009 -1.895 1.00 0.00 H new ATOM 191 N ALA A 13 -4.171 5.819 -3.600 1.00 0.00 N ATOM 192 CA ALA A 13 -2.904 6.472 -3.288 1.00 0.00 C ATOM 193 C ALA A 13 -3.120 7.886 -2.754 1.00 0.00 C ATOM 194 O ALA A 13 -4.175 8.486 -2.963 1.00 0.00 O ATOM 195 CB ALA A 13 -2.020 6.507 -4.526 1.00 0.00 C ATOM 0 H ALA A 13 -4.278 5.562 -4.581 1.00 0.00 H new ATOM 0 HA ALA A 13 -2.410 5.894 -2.507 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -1.076 6.996 -4.285 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -1.826 5.489 -4.863 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -2.524 7.061 -5.318 1.00 0.00 H new ATOM 201 N LYS A 14 -2.110 8.412 -2.063 1.00 0.00 N ATOM 202 CA LYS A 14 -2.177 9.761 -1.506 1.00 0.00 C ATOM 203 C LYS A 14 -0.943 10.564 -1.907 1.00 0.00 C ATOM 204 O LYS A 14 -1.046 11.570 -2.609 1.00 0.00 O ATOM 205 CB LYS A 14 -2.294 9.715 0.021 1.00 0.00 C ATOM 206 CG LYS A 14 -3.563 9.041 0.520 1.00 0.00 C ATOM 207 CD LYS A 14 -3.751 9.233 2.019 1.00 0.00 C ATOM 208 CE LYS A 14 -2.656 8.548 2.822 1.00 0.00 C ATOM 209 NZ LYS A 14 -2.858 8.714 4.288 1.00 0.00 N ATOM 0 H LYS A 14 -1.235 7.923 -1.876 1.00 0.00 H new ATOM 0 HA LYS A 14 -3.065 10.248 -1.908 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -1.430 9.188 0.426 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -2.257 10.733 0.410 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -4.424 9.449 -0.010 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -3.523 7.976 0.292 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -3.758 10.298 2.250 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -4.721 8.836 2.317 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -2.635 7.486 2.576 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -1.687 8.960 2.540 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -2.073 8.262 4.800 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -2.887 9.727 4.522 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -3.755 8.269 4.567 1.00 0.00 H new ATOM 223 N PHE A 15 0.225 10.114 -1.456 1.00 0.00 N ATOM 224 CA PHE A 15 1.480 10.787 -1.776 1.00 0.00 C ATOM 225 C PHE A 15 2.212 10.052 -2.894 1.00 0.00 C ATOM 226 O PHE A 15 1.981 8.865 -3.120 1.00 0.00 O ATOM 227 CB PHE A 15 2.378 10.867 -0.539 1.00 0.00 C ATOM 228 CG PHE A 15 1.736 11.538 0.643 1.00 0.00 C ATOM 229 CD1 PHE A 15 1.191 12.807 0.528 1.00 0.00 C ATOM 230 CD2 PHE A 15 1.677 10.897 1.871 1.00 0.00 C ATOM 231 CE1 PHE A 15 0.602 13.426 1.614 1.00 0.00 C ATOM 232 CE2 PHE A 15 1.088 11.511 2.961 1.00 0.00 C ATOM 233 CZ PHE A 15 0.550 12.777 2.832 1.00 0.00 C ATOM 0 H PHE A 15 0.328 9.287 -0.868 1.00 0.00 H new ATOM 0 HA PHE A 15 1.245 11.798 -2.110 1.00 0.00 H new ATOM 0 HB2 PHE A 15 2.675 9.858 -0.253 1.00 0.00 H new ATOM 0 HB3 PHE A 15 3.289 11.406 -0.799 1.00 0.00 H new ATOM 0 HD1 PHE A 15 1.227 13.319 -0.422 1.00 0.00 H new ATOM 0 HD2 PHE A 15 2.096 9.907 1.977 1.00 0.00 H new ATOM 0 HE1 PHE A 15 0.183 14.416 1.510 1.00 0.00 H new ATOM 0 HE2 PHE A 15 1.049 11.001 3.912 1.00 0.00 H new ATOM 0 HZ PHE A 15 0.090 13.258 3.682 1.00 0.00 H new ATOM 243 N ASN A 16 3.095 10.763 -3.590 1.00 0.00 N ATOM 244 CA ASN A 16 3.863 10.165 -4.676 1.00 0.00 C ATOM 245 C ASN A 16 4.959 9.264 -4.119 1.00 0.00 C ATOM 246 O ASN A 16 6.025 9.734 -3.724 1.00 0.00 O ATOM 247 CB ASN A 16 4.474 11.252 -5.560 1.00 0.00 C ATOM 248 CG ASN A 16 5.335 10.677 -6.668 1.00 0.00 C ATOM 249 OD1 ASN A 16 4.724 10.421 -7.819 1.00 0.00 O flip ATOM 250 ND2 ASN A 16 6.534 10.464 -6.491 1.00 0.00 N flip ATOM 0 H ASN A 16 3.295 11.749 -3.422 1.00 0.00 H new ATOM 0 HA ASN A 16 3.188 9.561 -5.282 1.00 0.00 H new ATOM 0 HB2 ASN A 16 3.676 11.852 -5.997 1.00 0.00 H new ATOM 0 HB3 ASN A 16 5.076 11.921 -4.945 1.00 0.00 H new ATOM 0 HD21 ASN A 16 6.962 10.676 -5.590 1.00 0.00 H new ATOM 0 HD22 ASN A 16 7.100 10.076 -7.246 1.00 0.00 H new ATOM 257 N PHE A 17 4.683 7.964 -4.091 1.00 0.00 N ATOM 258 CA PHE A 17 5.633 6.988 -3.568 1.00 0.00 C ATOM 259 C PHE A 17 6.490 6.395 -4.685 1.00 0.00 C ATOM 260 O PHE A 17 5.987 6.068 -5.759 1.00 0.00 O ATOM 261 CB PHE A 17 4.878 5.877 -2.836 1.00 0.00 C ATOM 262 CG PHE A 17 5.772 4.867 -2.172 1.00 0.00 C ATOM 263 CD1 PHE A 17 6.291 5.107 -0.911 1.00 0.00 C ATOM 264 CD2 PHE A 17 6.089 3.679 -2.811 1.00 0.00 C ATOM 265 CE1 PHE A 17 7.109 4.178 -0.296 1.00 0.00 C ATOM 266 CE2 PHE A 17 6.907 2.748 -2.202 1.00 0.00 C ATOM 267 CZ PHE A 17 7.418 2.998 -0.943 1.00 0.00 C ATOM 0 H PHE A 17 3.807 7.561 -4.425 1.00 0.00 H new ATOM 0 HA PHE A 17 6.299 7.496 -2.871 1.00 0.00 H new ATOM 0 HB2 PHE A 17 4.232 6.326 -2.082 1.00 0.00 H new ATOM 0 HB3 PHE A 17 4.230 5.363 -3.546 1.00 0.00 H new ATOM 0 HD1 PHE A 17 6.054 6.030 -0.403 1.00 0.00 H new ATOM 0 HD2 PHE A 17 5.692 3.479 -3.795 1.00 0.00 H new ATOM 0 HE1 PHE A 17 7.506 4.375 0.689 1.00 0.00 H new ATOM 0 HE2 PHE A 17 7.147 1.825 -2.709 1.00 0.00 H new ATOM 0 HZ PHE A 17 8.058 2.271 -0.465 1.00 0.00 H new ATOM 277 N GLN A 18 7.785 6.260 -4.416 1.00 0.00 N ATOM 278 CA GLN A 18 8.718 5.707 -5.392 1.00 0.00 C ATOM 279 C GLN A 18 9.265 4.362 -4.919 1.00 0.00 C ATOM 280 O GLN A 18 9.887 4.270 -3.861 1.00 0.00 O ATOM 281 CB GLN A 18 9.871 6.682 -5.634 1.00 0.00 C ATOM 282 CG GLN A 18 9.425 8.026 -6.188 1.00 0.00 C ATOM 283 CD GLN A 18 8.762 7.908 -7.546 1.00 0.00 C ATOM 284 OE1 GLN A 18 7.448 7.717 -7.548 1.00 0.00 O flip ATOM 285 NE2 GLN A 18 9.422 7.987 -8.582 1.00 0.00 N flip ATOM 0 H GLN A 18 8.213 6.526 -3.529 1.00 0.00 H new ATOM 0 HA GLN A 18 8.179 5.552 -6.327 1.00 0.00 H new ATOM 0 HB2 GLN A 18 10.402 6.843 -4.696 1.00 0.00 H new ATOM 0 HB3 GLN A 18 10.579 6.229 -6.328 1.00 0.00 H new ATOM 0 HG2 GLN A 18 8.730 8.490 -5.488 1.00 0.00 H new ATOM 0 HG3 GLN A 18 10.288 8.687 -6.266 1.00 0.00 H new ATOM 0 HE21 GLN A 18 10.430 8.134 -8.534 1.00 0.00 H new ATOM 0 HE22 GLN A 18 8.961 7.905 -9.488 1.00 0.00 H new ATOM 294 N GLN A 19 9.030 3.322 -5.714 1.00 0.00 N ATOM 295 CA GLN A 19 9.494 1.980 -5.379 1.00 0.00 C ATOM 296 C GLN A 19 11.014 1.883 -5.470 1.00 0.00 C ATOM 297 O GLN A 19 11.653 2.643 -6.198 1.00 0.00 O ATOM 298 CB GLN A 19 8.858 0.947 -6.313 1.00 0.00 C ATOM 299 CG GLN A 19 9.219 1.149 -7.777 1.00 0.00 C ATOM 300 CD GLN A 19 8.808 -0.017 -8.656 1.00 0.00 C ATOM 301 OE1 GLN A 19 7.736 -0.703 -8.275 1.00 0.00 O flip ATOM 302 NE2 GLN A 19 9.448 -0.299 -9.670 1.00 0.00 N flip ATOM 0 H GLN A 19 8.520 3.383 -6.595 1.00 0.00 H new ATOM 0 HA GLN A 19 9.194 1.773 -4.352 1.00 0.00 H new ATOM 0 HB2 GLN A 19 9.170 -0.051 -6.004 1.00 0.00 H new ATOM 0 HB3 GLN A 19 7.774 0.990 -6.205 1.00 0.00 H new ATOM 0 HG2 GLN A 19 8.740 2.058 -8.141 1.00 0.00 H new ATOM 0 HG3 GLN A 19 10.295 1.300 -7.863 1.00 0.00 H new ATOM 0 HE21 GLN A 19 10.266 0.254 -9.927 1.00 0.00 H new ATOM 0 HE22 GLN A 19 9.160 -1.085 -10.253 1.00 0.00 H new ATOM 311 N THR A 20 11.584 0.938 -4.729 1.00 0.00 N ATOM 312 CA THR A 20 13.027 0.727 -4.729 1.00 0.00 C ATOM 313 C THR A 20 13.402 -0.421 -5.659 1.00 0.00 C ATOM 314 O THR A 20 14.533 -0.505 -6.137 1.00 0.00 O ATOM 315 CB THR A 20 13.555 0.419 -3.316 1.00 0.00 C ATOM 316 OG1 THR A 20 12.821 -0.669 -2.742 1.00 0.00 O ATOM 317 CG2 THR A 20 13.446 1.642 -2.418 1.00 0.00 C ATOM 0 H THR A 20 11.067 0.305 -4.119 1.00 0.00 H new ATOM 0 HA THR A 20 13.485 1.651 -5.081 1.00 0.00 H new ATOM 0 HB THR A 20 14.606 0.142 -3.399 1.00 0.00 H new ATOM 0 HG1 THR A 20 13.165 -0.858 -1.844 1.00 0.00 H new ATOM 0 HG21 THR A 20 13.825 1.399 -1.425 1.00 0.00 H new ATOM 0 HG22 THR A 20 14.032 2.458 -2.841 1.00 0.00 H new ATOM 0 HG23 THR A 20 12.402 1.947 -2.343 1.00 0.00 H new ATOM 325 N ASN A 21 12.438 -1.301 -5.911 1.00 0.00 N ATOM 326 CA ASN A 21 12.651 -2.448 -6.783 1.00 0.00 C ATOM 327 C ASN A 21 11.349 -2.853 -7.469 1.00 0.00 C ATOM 328 O ASN A 21 10.289 -2.294 -7.186 1.00 0.00 O ATOM 329 CB ASN A 21 13.217 -3.619 -5.978 1.00 0.00 C ATOM 330 CG ASN A 21 12.264 -4.105 -4.904 1.00 0.00 C ATOM 331 OD1 ASN A 21 11.399 -3.362 -4.440 1.00 0.00 O ATOM 332 ND2 ASN A 21 12.425 -5.357 -4.494 1.00 0.00 N ATOM 0 H ASN A 21 11.498 -1.240 -5.521 1.00 0.00 H new ATOM 0 HA ASN A 21 13.369 -2.170 -7.554 1.00 0.00 H new ATOM 0 HB2 ASN A 21 13.446 -4.442 -6.654 1.00 0.00 H new ATOM 0 HB3 ASN A 21 14.156 -3.316 -5.515 1.00 0.00 H new ATOM 0 HD21 ASN A 21 11.819 -5.738 -3.767 1.00 0.00 H new ATOM 0 HD22 ASN A 21 13.155 -5.939 -4.906 1.00 0.00 H new ATOM 339 N GLU A 22 11.434 -3.827 -8.371 1.00 0.00 N ATOM 340 CA GLU A 22 10.263 -4.295 -9.105 1.00 0.00 C ATOM 341 C GLU A 22 9.368 -5.169 -8.228 1.00 0.00 C ATOM 342 O GLU A 22 8.187 -5.350 -8.524 1.00 0.00 O ATOM 343 CB GLU A 22 10.695 -5.072 -10.350 1.00 0.00 C ATOM 344 CG GLU A 22 11.587 -4.273 -11.289 1.00 0.00 C ATOM 345 CD GLU A 22 10.939 -2.985 -11.757 1.00 0.00 C ATOM 346 OE1 GLU A 22 10.154 -3.034 -12.727 1.00 0.00 O ATOM 347 OE2 GLU A 22 11.216 -1.927 -11.153 1.00 0.00 O ATOM 0 H GLU A 22 12.301 -4.307 -8.611 1.00 0.00 H new ATOM 0 HA GLU A 22 9.688 -3.420 -9.408 1.00 0.00 H new ATOM 0 HB2 GLU A 22 11.224 -5.973 -10.040 1.00 0.00 H new ATOM 0 HB3 GLU A 22 9.807 -5.394 -10.893 1.00 0.00 H new ATOM 0 HG2 GLU A 22 12.524 -4.040 -10.783 1.00 0.00 H new ATOM 0 HG3 GLU A 22 11.836 -4.885 -12.156 1.00 0.00 H new ATOM 354 N ASP A 23 9.934 -5.707 -7.152 1.00 0.00 N ATOM 355 CA ASP A 23 9.176 -6.559 -6.241 1.00 0.00 C ATOM 356 C ASP A 23 8.222 -5.726 -5.391 1.00 0.00 C ATOM 357 O ASP A 23 7.287 -6.257 -4.791 1.00 0.00 O ATOM 358 CB ASP A 23 10.119 -7.354 -5.337 1.00 0.00 C ATOM 359 CG ASP A 23 11.121 -8.175 -6.123 1.00 0.00 C ATOM 360 OD1 ASP A 23 12.172 -7.618 -6.507 1.00 0.00 O ATOM 361 OD2 ASP A 23 10.858 -9.373 -6.355 1.00 0.00 O ATOM 0 H ASP A 23 10.910 -5.569 -6.890 1.00 0.00 H new ATOM 0 HA ASP A 23 8.592 -7.257 -6.841 1.00 0.00 H new ATOM 0 HB2 ASP A 23 10.653 -6.667 -4.680 1.00 0.00 H new ATOM 0 HB3 ASP A 23 9.533 -8.015 -4.698 1.00 0.00 H new ATOM 366 N GLU A 24 8.466 -4.420 -5.341 1.00 0.00 N ATOM 367 CA GLU A 24 7.627 -3.515 -4.567 1.00 0.00 C ATOM 368 C GLU A 24 6.587 -2.851 -5.464 1.00 0.00 C ATOM 369 O GLU A 24 6.787 -2.726 -6.671 1.00 0.00 O ATOM 370 CB GLU A 24 8.485 -2.453 -3.875 1.00 0.00 C ATOM 371 CG GLU A 24 7.721 -1.613 -2.862 1.00 0.00 C ATOM 372 CD GLU A 24 8.626 -0.688 -2.072 1.00 0.00 C ATOM 373 OE1 GLU A 24 8.963 0.397 -2.589 1.00 0.00 O ATOM 374 OE2 GLU A 24 8.998 -1.049 -0.936 1.00 0.00 O ATOM 0 H GLU A 24 9.239 -3.966 -5.828 1.00 0.00 H new ATOM 0 HA GLU A 24 7.107 -4.095 -3.805 1.00 0.00 H new ATOM 0 HB2 GLU A 24 9.318 -2.943 -3.372 1.00 0.00 H new ATOM 0 HB3 GLU A 24 8.912 -1.794 -4.631 1.00 0.00 H new ATOM 0 HG2 GLU A 24 6.967 -1.022 -3.381 1.00 0.00 H new ATOM 0 HG3 GLU A 24 7.192 -2.272 -2.174 1.00 0.00 H new ATOM 381 N LEU A 25 5.478 -2.429 -4.866 1.00 0.00 N ATOM 382 CA LEU A 25 4.405 -1.790 -5.617 1.00 0.00 C ATOM 383 C LEU A 25 4.485 -0.270 -5.517 1.00 0.00 C ATOM 384 O LEU A 25 4.390 0.298 -4.427 1.00 0.00 O ATOM 385 CB LEU A 25 3.046 -2.283 -5.108 1.00 0.00 C ATOM 386 CG LEU A 25 1.842 -1.896 -5.970 1.00 0.00 C ATOM 387 CD1 LEU A 25 0.734 -2.927 -5.825 1.00 0.00 C ATOM 388 CD2 LEU A 25 1.330 -0.515 -5.588 1.00 0.00 C ATOM 0 H LEU A 25 5.299 -2.518 -3.866 1.00 0.00 H new ATOM 0 HA LEU A 25 4.518 -2.062 -6.667 1.00 0.00 H new ATOM 0 HB2 LEU A 25 3.080 -3.370 -5.028 1.00 0.00 H new ATOM 0 HB3 LEU A 25 2.891 -1.894 -4.102 1.00 0.00 H new ATOM 0 HG LEU A 25 2.161 -1.869 -7.012 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -0.115 -2.638 -6.444 1.00 0.00 H new ATOM 0 HD12 LEU A 25 1.101 -3.902 -6.145 1.00 0.00 H new ATOM 0 HD13 LEU A 25 0.421 -2.981 -4.782 1.00 0.00 H new ATOM 0 HD21 LEU A 25 0.474 -0.259 -6.212 1.00 0.00 H new ATOM 0 HD22 LEU A 25 1.028 -0.516 -4.541 1.00 0.00 H new ATOM 0 HD23 LEU A 25 2.121 0.220 -5.737 1.00 0.00 H new ATOM 400 N SER A 26 4.660 0.382 -6.663 1.00 0.00 N ATOM 401 CA SER A 26 4.739 1.838 -6.716 1.00 0.00 C ATOM 402 C SER A 26 3.367 2.429 -7.010 1.00 0.00 C ATOM 403 O SER A 26 2.496 1.750 -7.554 1.00 0.00 O ATOM 404 CB SER A 26 5.740 2.279 -7.786 1.00 0.00 C ATOM 405 OG SER A 26 5.775 3.692 -7.901 1.00 0.00 O ATOM 0 H SER A 26 4.750 -0.077 -7.570 1.00 0.00 H new ATOM 0 HA SER A 26 5.080 2.202 -5.747 1.00 0.00 H new ATOM 0 HB2 SER A 26 6.733 1.907 -7.535 1.00 0.00 H new ATOM 0 HB3 SER A 26 5.468 1.840 -8.746 1.00 0.00 H new ATOM 0 HG SER A 26 5.779 4.093 -7.007 1.00 0.00 H new ATOM 411 N PHE A 27 3.172 3.694 -6.653 1.00 0.00 N ATOM 412 CA PHE A 27 1.891 4.352 -6.884 1.00 0.00 C ATOM 413 C PHE A 27 2.004 5.867 -6.758 1.00 0.00 C ATOM 414 O PHE A 27 2.881 6.384 -6.066 1.00 0.00 O ATOM 415 CB PHE A 27 0.847 3.828 -5.895 1.00 0.00 C ATOM 416 CG PHE A 27 1.283 3.919 -4.460 1.00 0.00 C ATOM 417 CD1 PHE A 27 1.013 5.052 -3.708 1.00 0.00 C ATOM 418 CD2 PHE A 27 1.963 2.871 -3.862 1.00 0.00 C ATOM 419 CE1 PHE A 27 1.413 5.136 -2.389 1.00 0.00 C ATOM 420 CE2 PHE A 27 2.366 2.950 -2.543 1.00 0.00 C ATOM 421 CZ PHE A 27 2.091 4.083 -1.805 1.00 0.00 C ATOM 0 H PHE A 27 3.878 4.280 -6.207 1.00 0.00 H new ATOM 0 HA PHE A 27 1.580 4.122 -7.903 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -0.077 4.391 -6.022 1.00 0.00 H new ATOM 0 HB3 PHE A 27 0.622 2.788 -6.133 1.00 0.00 H new ATOM 0 HD1 PHE A 27 0.484 5.878 -4.159 1.00 0.00 H new ATOM 0 HD2 PHE A 27 2.181 1.981 -4.434 1.00 0.00 H new ATOM 0 HE1 PHE A 27 1.196 6.024 -1.814 1.00 0.00 H new ATOM 0 HE2 PHE A 27 2.896 2.125 -2.090 1.00 0.00 H new ATOM 0 HZ PHE A 27 2.405 4.147 -0.774 1.00 0.00 H new ATOM 431 N SER A 28 1.103 6.569 -7.438 1.00 0.00 N ATOM 432 CA SER A 28 1.071 8.024 -7.407 1.00 0.00 C ATOM 433 C SER A 28 -0.344 8.510 -7.118 1.00 0.00 C ATOM 434 O SER A 28 -1.315 7.813 -7.413 1.00 0.00 O ATOM 435 CB SER A 28 1.562 8.600 -8.737 1.00 0.00 C ATOM 436 OG SER A 28 2.895 8.199 -9.006 1.00 0.00 O ATOM 0 H SER A 28 0.380 6.148 -8.021 1.00 0.00 H new ATOM 0 HA SER A 28 1.734 8.368 -6.614 1.00 0.00 H new ATOM 0 HB2 SER A 28 0.909 8.267 -9.544 1.00 0.00 H new ATOM 0 HB3 SER A 28 1.505 9.688 -8.709 1.00 0.00 H new ATOM 0 HG SER A 28 3.516 8.869 -8.652 1.00 0.00 H new ATOM 442 N LYS A 29 -0.453 9.698 -6.529 1.00 0.00 N ATOM 443 CA LYS A 29 -1.752 10.279 -6.194 1.00 0.00 C ATOM 444 C LYS A 29 -2.752 10.108 -7.337 1.00 0.00 C ATOM 445 O LYS A 29 -2.716 10.848 -8.320 1.00 0.00 O ATOM 446 CB LYS A 29 -1.595 11.763 -5.853 1.00 0.00 C ATOM 447 CG LYS A 29 -2.906 12.458 -5.523 1.00 0.00 C ATOM 448 CD LYS A 29 -2.696 13.923 -5.163 1.00 0.00 C ATOM 449 CE LYS A 29 -2.113 14.710 -6.327 1.00 0.00 C ATOM 450 NZ LYS A 29 -2.948 14.593 -7.553 1.00 0.00 N ATOM 0 H LYS A 29 0.345 10.279 -6.273 1.00 0.00 H new ATOM 0 HA LYS A 29 -2.140 9.749 -5.325 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -0.918 11.862 -5.004 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -1.126 12.272 -6.695 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -3.580 12.387 -6.377 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -3.390 11.945 -4.692 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -3.647 14.365 -4.865 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -2.028 13.995 -4.304 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -2.025 15.760 -6.047 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -1.106 14.351 -6.539 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -2.658 15.317 -8.241 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -2.821 13.649 -7.970 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -3.949 14.731 -7.306 1.00 0.00 H new ATOM 464 N GLY A 30 -3.637 9.123 -7.204 1.00 0.00 N ATOM 465 CA GLY A 30 -4.635 8.876 -8.230 1.00 0.00 C ATOM 466 C GLY A 30 -4.794 7.402 -8.556 1.00 0.00 C ATOM 467 O GLY A 30 -5.913 6.896 -8.642 1.00 0.00 O ATOM 0 H GLY A 30 -3.680 8.492 -6.404 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -5.594 9.276 -7.901 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -4.359 9.416 -9.136 1.00 0.00 H new ATOM 471 N ASP A 31 -3.671 6.711 -8.737 1.00 0.00 N ATOM 472 CA ASP A 31 -3.689 5.288 -9.061 1.00 0.00 C ATOM 473 C ASP A 31 -4.422 4.486 -7.990 1.00 0.00 C ATOM 474 O ASP A 31 -4.085 4.553 -6.808 1.00 0.00 O ATOM 475 CB ASP A 31 -2.259 4.764 -9.218 1.00 0.00 C ATOM 476 CG ASP A 31 -1.489 5.504 -10.295 1.00 0.00 C ATOM 477 OD1 ASP A 31 -1.557 5.084 -11.469 1.00 0.00 O ATOM 478 OD2 ASP A 31 -0.816 6.504 -9.964 1.00 0.00 O ATOM 0 H ASP A 31 -2.737 7.114 -8.665 1.00 0.00 H new ATOM 0 HA ASP A 31 -4.223 5.165 -10.003 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -1.733 4.860 -8.268 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -2.288 3.702 -9.461 1.00 0.00 H new ATOM 483 N VAL A 32 -5.431 3.730 -8.414 1.00 0.00 N ATOM 484 CA VAL A 32 -6.216 2.911 -7.496 1.00 0.00 C ATOM 485 C VAL A 32 -5.639 1.503 -7.404 1.00 0.00 C ATOM 486 O VAL A 32 -5.409 0.852 -8.422 1.00 0.00 O ATOM 487 CB VAL A 32 -7.690 2.829 -7.940 1.00 0.00 C ATOM 488 CG1 VAL A 32 -8.505 2.007 -6.952 1.00 0.00 C ATOM 489 CG2 VAL A 32 -8.277 4.224 -8.096 1.00 0.00 C ATOM 0 H VAL A 32 -5.724 3.668 -9.389 1.00 0.00 H new ATOM 0 HA VAL A 32 -6.171 3.386 -6.516 1.00 0.00 H new ATOM 0 HB VAL A 32 -7.730 2.330 -8.908 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -9.542 1.962 -7.284 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -8.098 0.997 -6.896 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -8.460 2.472 -5.967 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -9.318 4.148 -8.410 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -8.223 4.750 -7.143 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -7.711 4.775 -8.847 1.00 0.00 H new ATOM 499 N ILE A 33 -5.417 1.031 -6.180 1.00 0.00 N ATOM 500 CA ILE A 33 -4.852 -0.298 -5.970 1.00 0.00 C ATOM 501 C ILE A 33 -5.823 -1.216 -5.236 1.00 0.00 C ATOM 502 O ILE A 33 -6.478 -0.807 -4.277 1.00 0.00 O ATOM 503 CB ILE A 33 -3.536 -0.231 -5.171 1.00 0.00 C ATOM 504 CG1 ILE A 33 -2.552 0.730 -5.839 1.00 0.00 C ATOM 505 CG2 ILE A 33 -2.921 -1.616 -5.041 1.00 0.00 C ATOM 506 CD1 ILE A 33 -2.694 2.163 -5.374 1.00 0.00 C ATOM 0 H ILE A 33 -5.619 1.546 -5.323 1.00 0.00 H new ATOM 0 HA ILE A 33 -4.655 -0.706 -6.961 1.00 0.00 H new ATOM 0 HB ILE A 33 -3.759 0.143 -4.172 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -1.535 0.392 -5.640 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -2.696 0.691 -6.919 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -1.992 -1.550 -4.474 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -3.617 -2.276 -4.523 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -2.713 -2.016 -6.033 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -1.964 2.787 -5.890 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -3.699 2.520 -5.597 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -2.521 2.216 -4.299 1.00 0.00 H new ATOM 518 N HIS A 34 -5.910 -2.461 -5.698 1.00 0.00 N ATOM 519 CA HIS A 34 -6.784 -3.451 -5.080 1.00 0.00 C ATOM 520 C HIS A 34 -6.012 -4.260 -4.043 1.00 0.00 C ATOM 521 O HIS A 34 -5.041 -4.942 -4.372 1.00 0.00 O ATOM 522 CB HIS A 34 -7.373 -4.382 -6.142 1.00 0.00 C ATOM 523 CG HIS A 34 -8.198 -3.672 -7.170 1.00 0.00 C ATOM 524 ND1 HIS A 34 -7.722 -3.343 -8.422 1.00 0.00 N ATOM 525 CD2 HIS A 34 -9.478 -3.232 -7.129 1.00 0.00 C ATOM 526 CE1 HIS A 34 -8.672 -2.730 -9.105 1.00 0.00 C ATOM 527 NE2 HIS A 34 -9.747 -2.652 -8.344 1.00 0.00 N ATOM 0 H HIS A 34 -5.384 -2.807 -6.500 1.00 0.00 H new ATOM 0 HA HIS A 34 -7.602 -2.929 -4.583 1.00 0.00 H new ATOM 0 HB2 HIS A 34 -6.561 -4.910 -6.641 1.00 0.00 H new ATOM 0 HB3 HIS A 34 -7.989 -5.136 -5.651 1.00 0.00 H new ATOM 0 HD2 HIS A 34 -10.160 -3.321 -6.296 1.00 0.00 H new ATOM 0 HE1 HIS A 34 -8.584 -2.356 -10.114 1.00 0.00 H new ATOM 0 HE2 HIS A 34 -10.635 -2.229 -8.615 1.00 0.00 H new ATOM 536 N VAL A 35 -6.444 -4.178 -2.789 1.00 0.00 N ATOM 537 CA VAL A 35 -5.781 -4.891 -1.702 1.00 0.00 C ATOM 538 C VAL A 35 -6.092 -6.384 -1.732 1.00 0.00 C ATOM 539 O VAL A 35 -7.253 -6.789 -1.736 1.00 0.00 O ATOM 540 CB VAL A 35 -6.194 -4.323 -0.330 1.00 0.00 C ATOM 541 CG1 VAL A 35 -5.375 -4.961 0.783 1.00 0.00 C ATOM 542 CG2 VAL A 35 -6.047 -2.810 -0.312 1.00 0.00 C ATOM 0 H VAL A 35 -7.251 -3.625 -2.500 1.00 0.00 H new ATOM 0 HA VAL A 35 -4.710 -4.750 -1.847 1.00 0.00 H new ATOM 0 HB VAL A 35 -7.243 -4.564 -0.159 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -5.681 -4.547 1.744 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -5.539 -6.039 0.784 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -4.317 -4.755 0.620 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -6.343 -2.427 0.665 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -5.008 -2.543 -0.507 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -6.684 -2.373 -1.081 1.00 0.00 H new ATOM 552 N THR A 36 -5.041 -7.199 -1.742 1.00 0.00 N ATOM 553 CA THR A 36 -5.194 -8.648 -1.754 1.00 0.00 C ATOM 554 C THR A 36 -4.839 -9.226 -0.390 1.00 0.00 C ATOM 555 O THR A 36 -5.164 -10.373 -0.083 1.00 0.00 O ATOM 556 CB THR A 36 -4.300 -9.305 -2.823 1.00 0.00 C ATOM 557 OG1 THR A 36 -2.921 -9.059 -2.529 1.00 0.00 O ATOM 558 CG2 THR A 36 -4.631 -8.772 -4.209 1.00 0.00 C ATOM 0 H THR A 36 -4.073 -6.878 -1.742 1.00 0.00 H new ATOM 0 HA THR A 36 -6.236 -8.862 -1.992 1.00 0.00 H new ATOM 0 HB THR A 36 -4.487 -10.379 -2.810 1.00 0.00 H new ATOM 0 HG1 THR A 36 -2.360 -9.482 -3.213 1.00 0.00 H new ATOM 0 HG21 THR A 36 -3.987 -9.251 -4.946 1.00 0.00 H new ATOM 0 HG22 THR A 36 -5.673 -8.989 -4.443 1.00 0.00 H new ATOM 0 HG23 THR A 36 -4.470 -7.694 -4.232 1.00 0.00 H new ATOM 566 N ARG A 37 -4.172 -8.412 0.423 1.00 0.00 N ATOM 567 CA ARG A 37 -3.768 -8.815 1.764 1.00 0.00 C ATOM 568 C ARG A 37 -3.765 -7.610 2.698 1.00 0.00 C ATOM 569 O ARG A 37 -2.863 -6.773 2.644 1.00 0.00 O ATOM 570 CB ARG A 37 -2.374 -9.451 1.739 1.00 0.00 C ATOM 571 CG ARG A 37 -2.286 -10.703 0.889 1.00 0.00 C ATOM 572 CD ARG A 37 -0.890 -11.299 0.936 1.00 0.00 C ATOM 573 NE ARG A 37 -0.564 -11.814 2.263 1.00 0.00 N ATOM 574 CZ ARG A 37 0.624 -12.313 2.591 1.00 0.00 C ATOM 575 NH1 ARG A 37 1.600 -12.360 1.695 1.00 0.00 N ATOM 576 NH2 ARG A 37 0.837 -12.763 3.820 1.00 0.00 N ATOM 0 H ARG A 37 -3.899 -7.462 0.172 1.00 0.00 H new ATOM 0 HA ARG A 37 -4.484 -9.551 2.130 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -1.658 -8.719 1.366 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -2.078 -9.695 2.759 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -3.010 -11.437 1.242 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -2.549 -10.466 -0.142 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -0.814 -12.104 0.205 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -0.161 -10.540 0.652 1.00 0.00 H new ATOM 0 HE ARG A 37 -1.289 -11.790 2.980 1.00 0.00 H new ATOM 0 HH11 ARG A 37 1.441 -12.012 0.749 1.00 0.00 H new ATOM 0 HH12 ARG A 37 2.510 -12.744 1.951 1.00 0.00 H new ATOM 0 HH21 ARG A 37 0.090 -12.726 4.513 1.00 0.00 H new ATOM 0 HH22 ARG A 37 1.748 -13.146 4.072 1.00 0.00 H new ATOM 590 N VAL A 38 -4.781 -7.524 3.551 1.00 0.00 N ATOM 591 CA VAL A 38 -4.893 -6.413 4.489 1.00 0.00 C ATOM 592 C VAL A 38 -4.623 -6.865 5.922 1.00 0.00 C ATOM 593 O VAL A 38 -5.473 -7.475 6.570 1.00 0.00 O ATOM 594 CB VAL A 38 -6.282 -5.741 4.404 1.00 0.00 C ATOM 595 CG1 VAL A 38 -7.390 -6.782 4.398 1.00 0.00 C ATOM 596 CG2 VAL A 38 -6.476 -4.752 5.546 1.00 0.00 C ATOM 0 H VAL A 38 -5.536 -8.208 3.612 1.00 0.00 H new ATOM 0 HA VAL A 38 -4.136 -5.682 4.207 1.00 0.00 H new ATOM 0 HB VAL A 38 -6.332 -5.190 3.465 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -8.357 -6.283 4.338 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -7.267 -7.440 3.538 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -7.342 -7.370 5.314 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -7.461 -4.292 5.465 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -6.398 -5.276 6.498 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -5.709 -3.980 5.493 1.00 0.00 H new ATOM 650 N TRP A 43 1.830 -2.131 6.414 1.00 0.00 N ATOM 651 CA TRP A 43 2.230 -2.682 5.124 1.00 0.00 C ATOM 652 C TRP A 43 1.154 -3.594 4.549 1.00 0.00 C ATOM 653 O TRP A 43 0.871 -4.660 5.098 1.00 0.00 O ATOM 654 CB TRP A 43 3.543 -3.451 5.255 1.00 0.00 C ATOM 655 CG TRP A 43 4.756 -2.587 5.097 1.00 0.00 C ATOM 656 CD1 TRP A 43 5.609 -2.179 6.081 1.00 0.00 C ATOM 657 CD2 TRP A 43 5.250 -2.022 3.877 1.00 0.00 C ATOM 658 NE1 TRP A 43 6.607 -1.400 5.549 1.00 0.00 N ATOM 659 CE2 TRP A 43 6.409 -1.289 4.197 1.00 0.00 C ATOM 660 CE3 TRP A 43 4.827 -2.067 2.544 1.00 0.00 C ATOM 661 CZ2 TRP A 43 7.149 -0.607 3.234 1.00 0.00 C ATOM 662 CZ3 TRP A 43 5.565 -1.390 1.588 1.00 0.00 C ATOM 663 CH2 TRP A 43 6.714 -0.669 1.938 1.00 0.00 C ATOM 0 HA TRP A 43 2.370 -1.845 4.440 1.00 0.00 H new ATOM 0 HB2 TRP A 43 3.576 -3.936 6.231 1.00 0.00 H new ATOM 0 HB3 TRP A 43 3.569 -4.242 4.505 1.00 0.00 H new ATOM 0 HD1 TRP A 43 5.513 -2.432 7.127 1.00 0.00 H new ATOM 0 HE1 TRP A 43 7.371 -0.974 6.074 1.00 0.00 H new ATOM 0 HE3 TRP A 43 3.942 -2.619 2.266 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 8.035 -0.049 3.501 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 5.250 -1.418 0.555 1.00 0.00 H new ATOM 0 HH2 TRP A 43 7.268 -0.151 1.169 1.00 0.00 H new ATOM 674 N TRP A 44 0.561 -3.170 3.439 1.00 0.00 N ATOM 675 CA TRP A 44 -0.478 -3.952 2.776 1.00 0.00 C ATOM 676 C TRP A 44 -0.032 -4.358 1.376 1.00 0.00 C ATOM 677 O TRP A 44 0.651 -3.600 0.689 1.00 0.00 O ATOM 678 CB TRP A 44 -1.783 -3.154 2.690 1.00 0.00 C ATOM 679 CG TRP A 44 -2.441 -2.903 4.016 1.00 0.00 C ATOM 680 CD1 TRP A 44 -2.077 -3.410 5.233 1.00 0.00 C ATOM 681 CD2 TRP A 44 -3.589 -2.081 4.253 1.00 0.00 C ATOM 682 NE1 TRP A 44 -2.927 -2.950 6.208 1.00 0.00 N ATOM 683 CE2 TRP A 44 -3.863 -2.132 5.632 1.00 0.00 C ATOM 684 CE3 TRP A 44 -4.410 -1.303 3.431 1.00 0.00 C ATOM 685 CZ2 TRP A 44 -4.925 -1.438 6.206 1.00 0.00 C ATOM 686 CZ3 TRP A 44 -5.462 -0.614 4.002 1.00 0.00 C ATOM 687 CH2 TRP A 44 -5.712 -0.685 5.378 1.00 0.00 C ATOM 0 H TRP A 44 0.782 -2.287 2.978 1.00 0.00 H new ATOM 0 HA TRP A 44 -0.652 -4.851 3.368 1.00 0.00 H new ATOM 0 HB2 TRP A 44 -1.579 -2.196 2.212 1.00 0.00 H new ATOM 0 HB3 TRP A 44 -2.481 -3.689 2.046 1.00 0.00 H new ATOM 0 HD1 TRP A 44 -1.243 -4.075 5.402 1.00 0.00 H new ATOM 0 HE1 TRP A 44 -2.871 -3.180 7.200 1.00 0.00 H new ATOM 0 HE3 TRP A 44 -4.225 -1.242 2.369 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 -5.120 -1.492 7.267 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 -6.103 -0.010 3.377 1.00 0.00 H new ATOM 0 HH2 TRP A 44 -6.543 -0.134 5.794 1.00 0.00 H new ATOM 698 N GLU A 45 -0.419 -5.556 0.960 1.00 0.00 N ATOM 699 CA GLU A 45 -0.066 -6.059 -0.363 1.00 0.00 C ATOM 700 C GLU A 45 -1.268 -5.999 -1.301 1.00 0.00 C ATOM 701 O GLU A 45 -2.387 -6.328 -0.909 1.00 0.00 O ATOM 702 CB GLU A 45 0.448 -7.498 -0.271 1.00 0.00 C ATOM 703 CG GLU A 45 0.884 -8.073 -1.609 1.00 0.00 C ATOM 704 CD GLU A 45 1.204 -9.553 -1.532 1.00 0.00 C ATOM 705 OE1 GLU A 45 2.343 -9.896 -1.149 1.00 0.00 O ATOM 706 OE2 GLU A 45 0.315 -10.370 -1.855 1.00 0.00 O ATOM 0 H GLU A 45 -0.978 -6.200 1.520 1.00 0.00 H new ATOM 0 HA GLU A 45 0.725 -5.425 -0.765 1.00 0.00 H new ATOM 0 HB2 GLU A 45 1.289 -7.531 0.421 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -0.335 -8.129 0.149 1.00 0.00 H new ATOM 0 HG2 GLU A 45 0.094 -7.914 -2.343 1.00 0.00 H new ATOM 0 HG3 GLU A 45 1.762 -7.533 -1.963 1.00 0.00 H new ATOM 713 N GLY A 46 -1.029 -5.575 -2.539 1.00 0.00 N ATOM 714 CA GLY A 46 -2.105 -5.479 -3.511 1.00 0.00 C ATOM 715 C GLY A 46 -1.614 -5.619 -4.939 1.00 0.00 C ATOM 716 O GLY A 46 -0.491 -6.065 -5.175 1.00 0.00 O ATOM 0 H GLY A 46 -0.111 -5.297 -2.886 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -2.844 -6.254 -3.307 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -2.609 -4.519 -3.396 1.00 0.00 H new ATOM 720 N THR A 47 -2.459 -5.234 -5.893 1.00 0.00 N ATOM 721 CA THR A 47 -2.106 -5.324 -7.306 1.00 0.00 C ATOM 722 C THR A 47 -2.443 -4.032 -8.046 1.00 0.00 C ATOM 723 O THR A 47 -3.411 -3.347 -7.715 1.00 0.00 O ATOM 724 CB THR A 47 -2.833 -6.498 -7.990 1.00 0.00 C ATOM 725 OG1 THR A 47 -2.562 -7.717 -7.291 1.00 0.00 O ATOM 726 CG2 THR A 47 -2.399 -6.635 -9.442 1.00 0.00 C ATOM 0 H THR A 47 -3.390 -4.858 -5.713 1.00 0.00 H new ATOM 0 HA THR A 47 -1.030 -5.492 -7.352 1.00 0.00 H new ATOM 0 HB THR A 47 -3.904 -6.294 -7.965 1.00 0.00 H new ATOM 0 HG1 THR A 47 -3.029 -8.457 -7.731 1.00 0.00 H new ATOM 0 HG21 THR A 47 -2.926 -7.471 -9.902 1.00 0.00 H new ATOM 0 HG22 THR A 47 -2.634 -5.717 -9.980 1.00 0.00 H new ATOM 0 HG23 THR A 47 -1.325 -6.816 -9.485 1.00 0.00 H new ATOM 734 N LEU A 48 -1.635 -3.709 -9.051 1.00 0.00 N ATOM 735 CA LEU A 48 -1.840 -2.508 -9.854 1.00 0.00 C ATOM 736 C LEU A 48 -1.363 -2.740 -11.284 1.00 0.00 C ATOM 737 O LEU A 48 -0.604 -3.673 -11.550 1.00 0.00 O ATOM 738 CB LEU A 48 -1.105 -1.313 -9.235 1.00 0.00 C ATOM 739 CG LEU A 48 -1.387 0.044 -9.891 1.00 0.00 C ATOM 740 CD1 LEU A 48 -2.879 0.337 -9.904 1.00 0.00 C ATOM 741 CD2 LEU A 48 -0.639 1.153 -9.166 1.00 0.00 C ATOM 0 H LEU A 48 -0.827 -4.266 -9.330 1.00 0.00 H new ATOM 0 HA LEU A 48 -2.907 -2.284 -9.873 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -1.373 -1.250 -8.180 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -0.033 -1.504 -9.281 1.00 0.00 H new ATOM 0 HG LEU A 48 -1.035 0.002 -10.922 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -3.056 1.305 -10.374 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -3.397 -0.440 -10.466 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -3.255 0.356 -8.881 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -0.851 2.109 -9.645 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -0.962 1.190 -8.125 1.00 0.00 H new ATOM 0 HD23 LEU A 48 0.432 0.956 -9.207 1.00 0.00 H new ATOM 753 N ASN A 49 -1.814 -1.892 -12.203 1.00 0.00 N ATOM 754 CA ASN A 49 -1.442 -2.012 -13.607 1.00 0.00 C ATOM 755 C ASN A 49 0.073 -1.980 -13.794 1.00 0.00 C ATOM 756 O ASN A 49 0.704 -0.930 -13.670 1.00 0.00 O ATOM 757 CB ASN A 49 -2.092 -0.897 -14.426 1.00 0.00 C ATOM 758 CG ASN A 49 -2.004 0.453 -13.742 1.00 0.00 C ATOM 759 OD1 ASN A 49 -3.039 0.800 -12.986 1.00 0.00 O flip ATOM 760 ND2 ASN A 49 -1.021 1.177 -13.894 1.00 0.00 N flip ATOM 0 H ASN A 49 -2.439 -1.112 -11.999 1.00 0.00 H new ATOM 0 HA ASN A 49 -1.803 -2.978 -13.961 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -1.609 -0.839 -15.402 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -3.139 -1.144 -14.603 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -0.248 0.870 -14.484 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -0.979 2.084 -13.430 1.00 0.00 H new ATOM 767 N GLY A 50 0.647 -3.143 -14.092 1.00 0.00 N ATOM 768 CA GLY A 50 2.079 -3.237 -14.309 1.00 0.00 C ATOM 769 C GLY A 50 2.889 -3.133 -13.031 1.00 0.00 C ATOM 770 O GLY A 50 4.118 -3.184 -13.068 1.00 0.00 O ATOM 0 H GLY A 50 0.143 -4.025 -14.187 1.00 0.00 H new ATOM 0 HA2 GLY A 50 2.304 -4.185 -14.797 1.00 0.00 H new ATOM 0 HA3 GLY A 50 2.388 -2.446 -14.992 1.00 0.00 H new ATOM 774 N ARG A 51 2.209 -2.984 -11.900 1.00 0.00 N ATOM 775 CA ARG A 51 2.888 -2.872 -10.615 1.00 0.00 C ATOM 776 C ARG A 51 2.240 -3.773 -9.569 1.00 0.00 C ATOM 777 O ARG A 51 1.061 -3.620 -9.249 1.00 0.00 O ATOM 778 CB ARG A 51 2.880 -1.420 -10.135 1.00 0.00 C ATOM 779 CG ARG A 51 3.583 -0.467 -11.087 1.00 0.00 C ATOM 780 CD ARG A 51 3.549 0.963 -10.572 1.00 0.00 C ATOM 781 NE ARG A 51 4.216 1.885 -11.488 1.00 0.00 N ATOM 782 CZ ARG A 51 4.247 3.203 -11.316 1.00 0.00 C ATOM 783 NH1 ARG A 51 3.656 3.755 -10.264 1.00 0.00 N ATOM 784 NH2 ARG A 51 4.874 3.970 -12.195 1.00 0.00 N ATOM 0 H ARG A 51 1.191 -2.938 -11.847 1.00 0.00 H new ATOM 0 HA ARG A 51 3.920 -3.197 -10.751 1.00 0.00 H new ATOM 0 HB2 ARG A 51 1.848 -1.094 -10.003 1.00 0.00 H new ATOM 0 HB3 ARG A 51 3.360 -1.365 -9.158 1.00 0.00 H new ATOM 0 HG2 ARG A 51 4.618 -0.782 -11.220 1.00 0.00 H new ATOM 0 HG3 ARG A 51 3.107 -0.513 -12.067 1.00 0.00 H new ATOM 0 HD2 ARG A 51 2.514 1.275 -10.432 1.00 0.00 H new ATOM 0 HD3 ARG A 51 4.030 1.009 -9.595 1.00 0.00 H new ATOM 0 HE ARG A 51 4.685 1.495 -12.306 1.00 0.00 H new ATOM 0 HH11 ARG A 51 3.175 3.168 -9.583 1.00 0.00 H new ATOM 0 HH12 ARG A 51 3.683 4.767 -10.137 1.00 0.00 H new ATOM 0 HH21 ARG A 51 5.333 3.549 -13.003 1.00 0.00 H new ATOM 0 HH22 ARG A 51 4.898 4.981 -12.064 1.00 0.00 H new ATOM 798 N THR A 52 3.019 -4.710 -9.039 1.00 0.00 N ATOM 799 CA THR A 52 2.523 -5.637 -8.028 1.00 0.00 C ATOM 800 C THR A 52 3.529 -5.803 -6.896 1.00 0.00 C ATOM 801 O THR A 52 4.723 -6.001 -7.132 1.00 0.00 O ATOM 802 CB THR A 52 2.210 -7.018 -8.637 1.00 0.00 C ATOM 803 OG1 THR A 52 1.275 -6.878 -9.713 1.00 0.00 O ATOM 804 CG2 THR A 52 1.637 -7.959 -7.586 1.00 0.00 C ATOM 0 H THR A 52 3.997 -4.848 -9.293 1.00 0.00 H new ATOM 0 HA THR A 52 1.602 -5.211 -7.629 1.00 0.00 H new ATOM 0 HB THR A 52 3.141 -7.441 -9.014 1.00 0.00 H new ATOM 0 HG1 THR A 52 1.082 -7.759 -10.096 1.00 0.00 H new ATOM 0 HG21 THR A 52 1.425 -8.926 -8.041 1.00 0.00 H new ATOM 0 HG22 THR A 52 2.360 -8.088 -6.780 1.00 0.00 H new ATOM 0 HG23 THR A 52 0.716 -7.537 -7.184 1.00 0.00 H new ATOM 812 N GLY A 53 3.037 -5.721 -5.666 1.00 0.00 N ATOM 813 CA GLY A 53 3.895 -5.859 -4.506 1.00 0.00 C ATOM 814 C GLY A 53 3.308 -5.191 -3.279 1.00 0.00 C ATOM 815 O GLY A 53 2.126 -4.846 -3.260 1.00 0.00 O ATOM 0 H GLY A 53 2.053 -5.560 -5.451 1.00 0.00 H new ATOM 0 HA2 GLY A 53 4.057 -6.917 -4.299 1.00 0.00 H new ATOM 0 HA3 GLY A 53 4.870 -5.424 -4.723 1.00 0.00 H new ATOM 819 N TRP A 54 4.131 -5.010 -2.253 1.00 0.00 N ATOM 820 CA TRP A 54 3.681 -4.380 -1.018 1.00 0.00 C ATOM 821 C TRP A 54 3.684 -2.861 -1.144 1.00 0.00 C ATOM 822 O TRP A 54 4.393 -2.296 -1.978 1.00 0.00 O ATOM 823 CB TRP A 54 4.573 -4.803 0.150 1.00 0.00 C ATOM 824 CG TRP A 54 4.596 -6.284 0.376 1.00 0.00 C ATOM 825 CD1 TRP A 54 5.330 -7.207 -0.312 1.00 0.00 C ATOM 826 CD2 TRP A 54 3.854 -7.012 1.359 1.00 0.00 C ATOM 827 NE1 TRP A 54 5.087 -8.465 0.182 1.00 0.00 N ATOM 828 CE2 TRP A 54 4.186 -8.372 1.209 1.00 0.00 C ATOM 829 CE3 TRP A 54 2.942 -6.648 2.353 1.00 0.00 C ATOM 830 CZ2 TRP A 54 3.637 -9.366 2.016 1.00 0.00 C ATOM 831 CZ3 TRP A 54 2.398 -7.635 3.154 1.00 0.00 C ATOM 832 CH2 TRP A 54 2.748 -8.980 2.981 1.00 0.00 C ATOM 0 H TRP A 54 5.112 -5.290 -2.252 1.00 0.00 H new ATOM 0 HA TRP A 54 2.659 -4.709 -0.828 1.00 0.00 H new ATOM 0 HB2 TRP A 54 5.589 -4.455 -0.035 1.00 0.00 H new ATOM 0 HB3 TRP A 54 4.227 -4.310 1.058 1.00 0.00 H new ATOM 0 HD1 TRP A 54 6.003 -6.981 -1.126 1.00 0.00 H new ATOM 0 HE1 TRP A 54 5.509 -9.328 -0.160 1.00 0.00 H new ATOM 0 HE3 TRP A 54 2.667 -5.613 2.493 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 3.904 -10.404 1.884 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 1.692 -7.364 3.925 1.00 0.00 H new ATOM 0 HH2 TRP A 54 2.307 -9.728 3.623 1.00 0.00 H new ATOM 843 N PHE A 55 2.886 -2.207 -0.308 1.00 0.00 N ATOM 844 CA PHE A 55 2.793 -0.752 -0.308 1.00 0.00 C ATOM 845 C PHE A 55 2.441 -0.243 1.090 1.00 0.00 C ATOM 846 O PHE A 55 1.621 -0.846 1.783 1.00 0.00 O ATOM 847 CB PHE A 55 1.756 -0.271 -1.326 1.00 0.00 C ATOM 848 CG PHE A 55 0.379 -0.835 -1.117 1.00 0.00 C ATOM 849 CD1 PHE A 55 -0.525 -0.198 -0.282 1.00 0.00 C ATOM 850 CD2 PHE A 55 -0.012 -1.997 -1.760 1.00 0.00 C ATOM 851 CE1 PHE A 55 -1.794 -0.712 -0.091 1.00 0.00 C ATOM 852 CE2 PHE A 55 -1.280 -2.515 -1.573 1.00 0.00 C ATOM 853 CZ PHE A 55 -2.172 -1.873 -0.739 1.00 0.00 C ATOM 0 H PHE A 55 2.291 -2.665 0.382 1.00 0.00 H new ATOM 0 HA PHE A 55 3.764 -0.348 -0.595 1.00 0.00 H new ATOM 0 HB2 PHE A 55 1.701 0.817 -1.285 1.00 0.00 H new ATOM 0 HB3 PHE A 55 2.097 -0.535 -2.327 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -0.235 0.710 0.225 1.00 0.00 H new ATOM 0 HD2 PHE A 55 0.681 -2.504 -2.415 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -2.489 -0.207 0.564 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -1.572 -3.423 -2.080 1.00 0.00 H new ATOM 0 HZ PHE A 55 -3.163 -2.277 -0.593 1.00 0.00 H new ATOM 863 N PRO A 56 3.057 0.871 1.526 1.00 0.00 N ATOM 864 CA PRO A 56 2.801 1.442 2.852 1.00 0.00 C ATOM 865 C PRO A 56 1.339 1.829 3.044 1.00 0.00 C ATOM 866 O PRO A 56 0.826 2.714 2.359 1.00 0.00 O ATOM 867 CB PRO A 56 3.697 2.686 2.900 1.00 0.00 C ATOM 868 CG PRO A 56 4.718 2.476 1.834 1.00 0.00 C ATOM 869 CD PRO A 56 4.041 1.663 0.768 1.00 0.00 C ATOM 0 HA PRO A 56 3.014 0.725 3.645 1.00 0.00 H new ATOM 0 HB2 PRO A 56 3.121 3.593 2.719 1.00 0.00 H new ATOM 0 HB3 PRO A 56 4.166 2.796 3.878 1.00 0.00 H new ATOM 0 HG2 PRO A 56 5.068 3.428 1.435 1.00 0.00 H new ATOM 0 HG3 PRO A 56 5.591 1.955 2.227 1.00 0.00 H new ATOM 0 HD2 PRO A 56 3.560 2.296 0.022 1.00 0.00 H new ATOM 0 HD3 PRO A 56 4.748 1.026 0.237 1.00 0.00 H new ATOM 877 N SER A 57 0.673 1.155 3.977 1.00 0.00 N ATOM 878 CA SER A 57 -0.731 1.425 4.266 1.00 0.00 C ATOM 879 C SER A 57 -0.914 2.833 4.824 1.00 0.00 C ATOM 880 O SER A 57 -2.021 3.372 4.824 1.00 0.00 O ATOM 881 CB SER A 57 -1.274 0.397 5.261 1.00 0.00 C ATOM 882 OG SER A 57 -2.635 0.651 5.566 1.00 0.00 O ATOM 0 H SER A 57 1.085 0.416 4.547 1.00 0.00 H new ATOM 0 HA SER A 57 -1.288 1.350 3.332 1.00 0.00 H new ATOM 0 HB2 SER A 57 -1.172 -0.605 4.845 1.00 0.00 H new ATOM 0 HB3 SER A 57 -0.682 0.424 6.176 1.00 0.00 H new ATOM 0 HG SER A 57 -3.177 -0.127 5.317 1.00 0.00 H new ATOM 888 N ASN A 58 0.179 3.424 5.298 1.00 0.00 N ATOM 889 CA ASN A 58 0.136 4.771 5.859 1.00 0.00 C ATOM 890 C ASN A 58 0.225 5.827 4.761 1.00 0.00 C ATOM 891 O ASN A 58 -0.137 6.985 4.972 1.00 0.00 O ATOM 892 CB ASN A 58 1.272 4.967 6.864 1.00 0.00 C ATOM 893 CG ASN A 58 1.150 4.045 8.062 1.00 0.00 C ATOM 894 OD1 ASN A 58 0.656 2.924 7.952 1.00 0.00 O ATOM 895 ND2 ASN A 58 1.600 4.519 9.219 1.00 0.00 N ATOM 0 H ASN A 58 1.103 2.993 5.305 1.00 0.00 H new ATOM 0 HA ASN A 58 -0.818 4.889 6.372 1.00 0.00 H new ATOM 0 HB2 ASN A 58 2.226 4.790 6.368 1.00 0.00 H new ATOM 0 HB3 ASN A 58 1.277 6.002 7.205 1.00 0.00 H new ATOM 0 HD21 ASN A 58 1.543 3.947 10.061 1.00 0.00 H new ATOM 0 HD22 ASN A 58 2.003 5.455 9.265 1.00 0.00 H new ATOM 902 N TYR A 59 0.706 5.423 3.590 1.00 0.00 N ATOM 903 CA TYR A 59 0.830 6.338 2.458 1.00 0.00 C ATOM 904 C TYR A 59 -0.419 6.283 1.590 1.00 0.00 C ATOM 905 O TYR A 59 -0.564 7.051 0.639 1.00 0.00 O ATOM 906 CB TYR A 59 2.065 5.992 1.622 1.00 0.00 C ATOM 907 CG TYR A 59 3.164 7.031 1.698 1.00 0.00 C ATOM 908 CD1 TYR A 59 3.628 7.496 2.922 1.00 0.00 C ATOM 909 CD2 TYR A 59 3.739 7.546 0.541 1.00 0.00 C ATOM 910 CE1 TYR A 59 4.631 8.445 2.992 1.00 0.00 C ATOM 911 CE2 TYR A 59 4.742 8.493 0.605 1.00 0.00 C ATOM 912 CZ TYR A 59 5.184 8.939 1.831 1.00 0.00 C ATOM 913 OH TYR A 59 6.184 9.884 1.896 1.00 0.00 O ATOM 0 H TYR A 59 1.016 4.470 3.399 1.00 0.00 H new ATOM 0 HA TYR A 59 0.943 7.350 2.847 1.00 0.00 H new ATOM 0 HB2 TYR A 59 2.461 5.033 1.955 1.00 0.00 H new ATOM 0 HB3 TYR A 59 1.765 5.869 0.581 1.00 0.00 H new ATOM 0 HD1 TYR A 59 3.198 7.110 3.834 1.00 0.00 H new ATOM 0 HD2 TYR A 59 3.396 7.200 -0.423 1.00 0.00 H new ATOM 0 HE1 TYR A 59 4.979 8.797 3.952 1.00 0.00 H new ATOM 0 HE2 TYR A 59 5.178 8.883 -0.303 1.00 0.00 H new ATOM 0 HH TYR A 59 6.465 10.126 0.989 1.00 0.00 H new ATOM 923 N VAL A 60 -1.318 5.365 1.926 1.00 0.00 N ATOM 924 CA VAL A 60 -2.562 5.199 1.188 1.00 0.00 C ATOM 925 C VAL A 60 -3.763 5.269 2.128 1.00 0.00 C ATOM 926 O VAL A 60 -3.613 5.160 3.345 1.00 0.00 O ATOM 927 CB VAL A 60 -2.581 3.861 0.426 1.00 0.00 C ATOM 928 CG1 VAL A 60 -1.560 3.877 -0.701 1.00 0.00 C ATOM 929 CG2 VAL A 60 -2.313 2.701 1.375 1.00 0.00 C ATOM 0 H VAL A 60 -1.206 4.722 2.709 1.00 0.00 H new ATOM 0 HA VAL A 60 -2.626 6.014 0.467 1.00 0.00 H new ATOM 0 HB VAL A 60 -3.571 3.726 -0.008 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -1.586 2.924 -1.229 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -1.797 4.683 -1.395 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -0.564 4.035 -0.287 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -2.330 1.764 0.818 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -1.335 2.829 1.839 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -3.081 2.678 2.148 1.00 0.00 H new ATOM 939 N ARG A 61 -4.953 5.449 1.562 1.00 0.00 N ATOM 940 CA ARG A 61 -6.171 5.536 2.362 1.00 0.00 C ATOM 941 C ARG A 61 -7.294 4.708 1.747 1.00 0.00 C ATOM 942 O ARG A 61 -7.547 4.781 0.544 1.00 0.00 O ATOM 943 CB ARG A 61 -6.616 6.995 2.496 1.00 0.00 C ATOM 944 CG ARG A 61 -6.880 7.677 1.164 1.00 0.00 C ATOM 945 CD ARG A 61 -7.415 9.085 1.359 1.00 0.00 C ATOM 946 NE ARG A 61 -8.678 9.089 2.090 1.00 0.00 N ATOM 947 CZ ARG A 61 -9.139 10.139 2.762 1.00 0.00 C ATOM 948 NH1 ARG A 61 -8.445 11.269 2.792 1.00 0.00 N ATOM 949 NH2 ARG A 61 -10.296 10.059 3.405 1.00 0.00 N ATOM 0 H ARG A 61 -5.100 5.537 0.556 1.00 0.00 H new ATOM 0 HA ARG A 61 -5.950 5.135 3.351 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -7.522 7.035 3.101 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -5.849 7.552 3.034 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -5.958 7.714 0.583 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -7.596 7.090 0.589 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -6.680 9.681 1.900 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -7.556 9.558 0.387 1.00 0.00 H new ATOM 0 HE ARG A 61 -9.239 8.237 2.085 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -7.555 11.334 2.298 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -8.802 12.073 3.309 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -10.832 9.192 3.384 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -10.650 10.865 3.921 1.00 0.00 H new ATOM 963 N GLU A 62 -7.961 3.917 2.584 1.00 0.00 N ATOM 964 CA GLU A 62 -9.059 3.072 2.128 1.00 0.00 C ATOM 965 C GLU A 62 -10.113 3.888 1.391 1.00 0.00 C ATOM 966 O GLU A 62 -10.815 4.705 1.990 1.00 0.00 O ATOM 967 CB GLU A 62 -9.695 2.343 3.312 1.00 0.00 C ATOM 968 CG GLU A 62 -8.817 1.241 3.882 1.00 0.00 C ATOM 969 CD GLU A 62 -9.373 0.655 5.165 1.00 0.00 C ATOM 970 OE1 GLU A 62 -10.339 -0.131 5.088 1.00 0.00 O ATOM 971 OE2 GLU A 62 -8.840 0.981 6.247 1.00 0.00 O ATOM 0 H GLU A 62 -7.760 3.844 3.581 1.00 0.00 H new ATOM 0 HA GLU A 62 -8.650 2.338 1.434 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -9.916 3.065 4.098 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -10.646 1.914 2.997 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -8.710 0.448 3.142 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -7.820 1.638 4.071 1.00 0.00 H new ATOM 978 N VAL A 63 -10.213 3.664 0.087 1.00 0.00 N ATOM 979 CA VAL A 63 -11.180 4.375 -0.740 1.00 0.00 C ATOM 980 C VAL A 63 -12.404 3.506 -1.014 1.00 0.00 C ATOM 981 O VAL A 63 -12.289 2.295 -1.201 1.00 0.00 O ATOM 982 CB VAL A 63 -10.559 4.821 -2.080 1.00 0.00 C ATOM 983 CG1 VAL A 63 -10.128 3.617 -2.904 1.00 0.00 C ATOM 984 CG2 VAL A 63 -11.536 5.690 -2.860 1.00 0.00 C ATOM 0 H VAL A 63 -9.635 2.995 -0.422 1.00 0.00 H new ATOM 0 HA VAL A 63 -11.485 5.262 -0.185 1.00 0.00 H new ATOM 0 HB VAL A 63 -9.671 5.416 -1.864 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -9.693 3.956 -3.844 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -9.387 3.042 -2.348 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -10.994 2.989 -3.111 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -11.080 5.995 -3.802 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -12.445 5.123 -3.063 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -11.784 6.575 -2.274 1.00 0.00 H new