USER MOD reduce.3.24.130724 H: found=0, std=0, add=636, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 637 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 65 THR OG1 : rot 122:sc= 1.24 USER MOD Set 1.2: A 67 GLN : amide:sc= 0.728 K(o=2,f=-2.1!) USER MOD Single : A 11 THR OG1 : rot 29:sc= 0.042 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 18 THR OG1 : rot -67:sc= 0.28 USER MOD Single : A 19 THR OG1 : rot 103:sc= 1.22 USER MOD Single : A 20 SER OG : rot 125:sc= 0.0313 USER MOD Single : A 40 CYS SG : rot 23:sc= -1.08 USER MOD Single : A 42 THR OG1 : rot 180:sc= -0.0615 USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 ASN : amide:sc=-0.00709 X(o=-0.0071,f=-0.42) USER MOD Single : A 57 ASN : amide:sc= -1.2 K(o=-1.2,f=-7.6!) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 59 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 68 GLN : amide:sc= -0.0859 X(o=-0.086,f=-0.087) USER MOD Single : A 69 THR OG1 : rot 140:sc= -0.102 USER MOD Single : A 71 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 ASN : amide:sc= 0.376 X(o=0.38,f=-0.054) USER MOD Single : A 80 HIS : no HD1:sc= -0.109 X(o=-0.11,f=-0.039) USER MOD Single : A 86 LYS NZ :NH3+ -162:sc= -0.0222 (180deg=-0.206) USER MOD Single : A 91 SER OG : rot 180:sc= -0.121 USER MOD Single : A 93 ASN : amide:sc= -0.0458 K(o=-0.046,f=-1.2) USER MOD Single : A 97 ASN : amide:sc= -0.0164 X(o=-0.016,f=-0.038) USER MOD Single : A 98 ASN :FLIP amide:sc= -0.406 F(o=-1.6,f=-0.41) USER MOD Single : A 99 GLN : amide:sc= 0 K(o=0,f=-0.67) USER MOD ----------------------------------------------------------------- ATOM 121 N THR A 11 17.381 4.352 -0.523 1.00 0.00 N ATOM 122 CA THR A 11 16.967 2.959 -0.631 1.00 0.00 C ATOM 123 C THR A 11 16.390 2.453 0.686 1.00 0.00 C ATOM 124 O THR A 11 15.219 2.079 0.761 1.00 0.00 O ATOM 125 CB THR A 11 18.142 2.054 -1.045 1.00 0.00 C ATOM 126 OG1 THR A 11 18.661 2.474 -2.312 1.00 0.00 O ATOM 127 CG2 THR A 11 17.703 0.600 -1.128 1.00 0.00 C ATOM 0 HA THR A 11 16.197 2.917 -1.402 1.00 0.00 H new ATOM 0 HB THR A 11 18.921 2.139 -0.287 1.00 0.00 H new ATOM 0 HG1 THR A 11 18.517 3.437 -2.422 1.00 0.00 H new ATOM 0 HG21 THR A 11 18.550 -0.020 -1.422 1.00 0.00 H new ATOM 0 HG22 THR A 11 17.336 0.275 -0.155 1.00 0.00 H new ATOM 0 HG23 THR A 11 16.908 0.502 -1.867 1.00 0.00 H new ATOM 135 N LYS A 12 17.219 2.444 1.725 1.00 0.00 N ATOM 136 CA LYS A 12 16.791 1.985 3.041 1.00 0.00 C ATOM 137 C LYS A 12 15.332 2.348 3.296 1.00 0.00 C ATOM 138 O LYS A 12 14.485 1.470 3.470 1.00 0.00 O ATOM 139 CB LYS A 12 17.678 2.596 4.129 1.00 0.00 C ATOM 140 CG LYS A 12 17.772 1.747 5.385 1.00 0.00 C ATOM 141 CD LYS A 12 16.684 2.105 6.383 1.00 0.00 C ATOM 142 CE LYS A 12 16.624 1.102 7.525 1.00 0.00 C ATOM 143 NZ LYS A 12 15.608 1.483 8.545 1.00 0.00 N ATOM 0 H LYS A 12 18.191 2.749 1.681 1.00 0.00 H new ATOM 0 HA LYS A 12 16.887 0.900 3.069 1.00 0.00 H new ATOM 0 HB2 LYS A 12 18.680 2.747 3.727 1.00 0.00 H new ATOM 0 HB3 LYS A 12 17.289 3.579 4.393 1.00 0.00 H new ATOM 0 HG2 LYS A 12 17.691 0.693 5.120 1.00 0.00 H new ATOM 0 HG3 LYS A 12 18.750 1.885 5.846 1.00 0.00 H new ATOM 0 HD2 LYS A 12 16.869 3.102 6.782 1.00 0.00 H new ATOM 0 HD3 LYS A 12 15.720 2.138 5.876 1.00 0.00 H new ATOM 0 HE2 LYS A 12 16.388 0.114 7.129 1.00 0.00 H new ATOM 0 HE3 LYS A 12 17.604 1.030 7.997 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 15.598 0.775 9.306 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 15.847 2.414 8.942 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 14.669 1.527 8.100 1.00 0.00 H new ATOM 157 N LEU A 13 15.044 3.644 3.316 1.00 0.00 N ATOM 158 CA LEU A 13 13.686 4.123 3.548 1.00 0.00 C ATOM 159 C LEU A 13 12.686 3.368 2.678 1.00 0.00 C ATOM 160 O LEU A 13 11.864 2.602 3.181 1.00 0.00 O ATOM 161 CB LEU A 13 13.597 5.623 3.263 1.00 0.00 C ATOM 162 CG LEU A 13 12.457 6.372 3.954 1.00 0.00 C ATOM 163 CD1 LEU A 13 12.693 6.436 5.455 1.00 0.00 C ATOM 164 CD2 LEU A 13 12.309 7.771 3.375 1.00 0.00 C ATOM 0 H LEU A 13 15.733 4.383 3.174 1.00 0.00 H new ATOM 0 HA LEU A 13 13.438 3.943 4.594 1.00 0.00 H new ATOM 0 HB2 LEU A 13 14.539 6.085 3.558 1.00 0.00 H new ATOM 0 HB3 LEU A 13 13.497 5.762 2.187 1.00 0.00 H new ATOM 0 HG LEU A 13 11.530 5.827 3.776 1.00 0.00 H new ATOM 0 HD11 LEU A 13 11.872 6.973 5.930 1.00 0.00 H new ATOM 0 HD12 LEU A 13 12.747 5.425 5.858 1.00 0.00 H new ATOM 0 HD13 LEU A 13 13.630 6.957 5.654 1.00 0.00 H new ATOM 0 HD21 LEU A 13 11.493 8.289 3.879 1.00 0.00 H new ATOM 0 HD22 LEU A 13 13.236 8.325 3.521 1.00 0.00 H new ATOM 0 HD23 LEU A 13 12.092 7.703 2.309 1.00 0.00 H new ATOM 176 N TRP A 14 12.764 3.589 1.370 1.00 0.00 N ATOM 177 CA TRP A 14 11.867 2.927 0.429 1.00 0.00 C ATOM 178 C TRP A 14 11.676 1.460 0.799 1.00 0.00 C ATOM 179 O TRP A 14 10.555 0.952 0.802 1.00 0.00 O ATOM 180 CB TRP A 14 12.414 3.040 -0.994 1.00 0.00 C ATOM 181 CG TRP A 14 11.776 2.082 -1.954 1.00 0.00 C ATOM 182 CD1 TRP A 14 12.061 0.754 -2.097 1.00 0.00 C ATOM 183 CD2 TRP A 14 10.748 2.378 -2.905 1.00 0.00 C ATOM 184 NE1 TRP A 14 11.272 0.207 -3.079 1.00 0.00 N ATOM 185 CE2 TRP A 14 10.457 1.182 -3.590 1.00 0.00 C ATOM 186 CE3 TRP A 14 10.043 3.536 -3.243 1.00 0.00 C ATOM 187 CZ2 TRP A 14 9.493 1.115 -4.592 1.00 0.00 C ATOM 188 CZ3 TRP A 14 9.087 3.468 -4.238 1.00 0.00 C ATOM 189 CH2 TRP A 14 8.818 2.264 -4.903 1.00 0.00 C ATOM 0 H TRP A 14 13.438 4.221 0.938 1.00 0.00 H new ATOM 0 HA TRP A 14 10.898 3.424 0.478 1.00 0.00 H new ATOM 0 HB2 TRP A 14 12.263 4.058 -1.354 1.00 0.00 H new ATOM 0 HB3 TRP A 14 13.490 2.864 -0.977 1.00 0.00 H new ATOM 0 HD1 TRP A 14 12.798 0.213 -1.522 1.00 0.00 H new ATOM 0 HE1 TRP A 14 11.290 -0.768 -3.379 1.00 0.00 H new ATOM 0 HE3 TRP A 14 10.242 4.468 -2.735 1.00 0.00 H new ATOM 0 HZ2 TRP A 14 9.285 0.188 -5.106 1.00 0.00 H new ATOM 0 HZ3 TRP A 14 8.538 4.358 -4.508 1.00 0.00 H new ATOM 0 HH2 TRP A 14 8.064 2.243 -5.676 1.00 0.00 H new ATOM 200 N ASN A 15 12.777 0.785 1.110 1.00 0.00 N ATOM 201 CA ASN A 15 12.730 -0.625 1.481 1.00 0.00 C ATOM 202 C ASN A 15 11.916 -0.825 2.756 1.00 0.00 C ATOM 203 O ASN A 15 11.201 -1.817 2.898 1.00 0.00 O ATOM 204 CB ASN A 15 14.146 -1.171 1.675 1.00 0.00 C ATOM 205 CG ASN A 15 14.221 -2.671 1.466 1.00 0.00 C ATOM 206 OD1 ASN A 15 13.882 -3.451 2.356 1.00 0.00 O ATOM 207 ND2 ASN A 15 14.669 -3.082 0.286 1.00 0.00 N ATOM 0 H ASN A 15 13.713 1.191 1.113 1.00 0.00 H new ATOM 0 HA ASN A 15 12.245 -1.172 0.672 1.00 0.00 H new ATOM 0 HB2 ASN A 15 14.822 -0.676 0.978 1.00 0.00 H new ATOM 0 HB3 ASN A 15 14.491 -0.929 2.680 1.00 0.00 H new ATOM 0 HD21 ASN A 15 14.743 -4.080 0.088 1.00 0.00 H new ATOM 0 HD22 ASN A 15 14.939 -2.400 -0.423 1.00 0.00 H new ATOM 214 N GLU A 16 12.031 0.124 3.680 1.00 0.00 N ATOM 215 CA GLU A 16 11.306 0.051 4.943 1.00 0.00 C ATOM 216 C GLU A 16 9.806 0.218 4.720 1.00 0.00 C ATOM 217 O GLU A 16 9.011 -0.643 5.097 1.00 0.00 O ATOM 218 CB GLU A 16 11.811 1.125 5.909 1.00 0.00 C ATOM 219 CG GLU A 16 11.717 0.721 7.371 1.00 0.00 C ATOM 220 CD GLU A 16 10.335 0.948 7.951 1.00 0.00 C ATOM 221 OE1 GLU A 16 9.814 2.076 7.820 1.00 0.00 O ATOM 222 OE2 GLU A 16 9.773 -0.002 8.536 1.00 0.00 O ATOM 0 H GLU A 16 12.619 0.951 3.578 1.00 0.00 H new ATOM 0 HA GLU A 16 11.484 -0.932 5.378 1.00 0.00 H new ATOM 0 HB2 GLU A 16 12.849 1.357 5.671 1.00 0.00 H new ATOM 0 HB3 GLU A 16 11.237 2.039 5.756 1.00 0.00 H new ATOM 0 HG2 GLU A 16 11.980 -0.332 7.471 1.00 0.00 H new ATOM 0 HG3 GLU A 16 12.447 1.288 7.948 1.00 0.00 H new ATOM 229 N VAL A 17 9.425 1.333 4.103 1.00 0.00 N ATOM 230 CA VAL A 17 8.021 1.614 3.828 1.00 0.00 C ATOM 231 C VAL A 17 7.394 0.508 2.986 1.00 0.00 C ATOM 232 O VAL A 17 6.286 0.050 3.268 1.00 0.00 O ATOM 233 CB VAL A 17 7.850 2.959 3.099 1.00 0.00 C ATOM 234 CG1 VAL A 17 8.687 2.988 1.829 1.00 0.00 C ATOM 235 CG2 VAL A 17 6.383 3.213 2.787 1.00 0.00 C ATOM 0 H VAL A 17 10.070 2.056 3.784 1.00 0.00 H new ATOM 0 HA VAL A 17 7.514 1.665 4.791 1.00 0.00 H new ATOM 0 HB VAL A 17 8.201 3.756 3.755 1.00 0.00 H new ATOM 0 HG11 VAL A 17 8.553 3.946 1.327 1.00 0.00 H new ATOM 0 HG12 VAL A 17 9.739 2.855 2.083 1.00 0.00 H new ATOM 0 HG13 VAL A 17 8.370 2.184 1.166 1.00 0.00 H new ATOM 0 HG21 VAL A 17 6.281 4.168 2.272 1.00 0.00 H new ATOM 0 HG22 VAL A 17 6.003 2.414 2.150 1.00 0.00 H new ATOM 0 HG23 VAL A 17 5.813 3.239 3.716 1.00 0.00 H new ATOM 245 N THR A 18 8.111 0.082 1.951 1.00 0.00 N ATOM 246 CA THR A 18 7.625 -0.970 1.067 1.00 0.00 C ATOM 247 C THR A 18 7.444 -2.282 1.820 1.00 0.00 C ATOM 248 O THR A 18 6.359 -2.863 1.826 1.00 0.00 O ATOM 249 CB THR A 18 8.586 -1.198 -0.116 1.00 0.00 C ATOM 250 OG1 THR A 18 9.898 -1.500 0.371 1.00 0.00 O ATOM 251 CG2 THR A 18 8.642 0.029 -1.012 1.00 0.00 C ATOM 0 H THR A 18 9.030 0.449 1.704 1.00 0.00 H new ATOM 0 HA THR A 18 6.660 -0.639 0.683 1.00 0.00 H new ATOM 0 HB THR A 18 8.214 -2.038 -0.702 1.00 0.00 H new ATOM 0 HG1 THR A 18 10.273 -0.709 0.812 1.00 0.00 H new ATOM 0 HG21 THR A 18 9.327 -0.156 -1.840 1.00 0.00 H new ATOM 0 HG22 THR A 18 7.647 0.239 -1.404 1.00 0.00 H new ATOM 0 HG23 THR A 18 8.993 0.885 -0.435 1.00 0.00 H new ATOM 259 N THR A 19 8.515 -2.746 2.458 1.00 0.00 N ATOM 260 CA THR A 19 8.475 -3.991 3.215 1.00 0.00 C ATOM 261 C THR A 19 7.289 -4.014 4.172 1.00 0.00 C ATOM 262 O THR A 19 6.486 -4.946 4.159 1.00 0.00 O ATOM 263 CB THR A 19 9.773 -4.202 4.018 1.00 0.00 C ATOM 264 OG1 THR A 19 10.892 -4.282 3.128 1.00 0.00 O ATOM 265 CG2 THR A 19 9.691 -5.471 4.853 1.00 0.00 C ATOM 0 H THR A 19 9.421 -2.277 2.465 1.00 0.00 H new ATOM 0 HA THR A 19 8.370 -4.799 2.491 1.00 0.00 H new ATOM 0 HB THR A 19 9.903 -3.352 4.688 1.00 0.00 H new ATOM 0 HG1 THR A 19 11.384 -3.435 3.144 1.00 0.00 H new ATOM 0 HG21 THR A 19 10.618 -5.600 5.411 1.00 0.00 H new ATOM 0 HG22 THR A 19 8.856 -5.395 5.549 1.00 0.00 H new ATOM 0 HG23 THR A 19 9.540 -6.329 4.198 1.00 0.00 H new ATOM 273 N SER A 20 7.184 -2.981 5.002 1.00 0.00 N ATOM 274 CA SER A 20 6.097 -2.884 5.969 1.00 0.00 C ATOM 275 C SER A 20 4.742 -2.920 5.268 1.00 0.00 C ATOM 276 O SER A 20 3.832 -3.634 5.689 1.00 0.00 O ATOM 277 CB SER A 20 6.227 -1.598 6.788 1.00 0.00 C ATOM 278 OG SER A 20 7.214 -1.733 7.795 1.00 0.00 O ATOM 0 H SER A 20 7.839 -2.199 5.024 1.00 0.00 H new ATOM 0 HA SER A 20 6.163 -3.741 6.640 1.00 0.00 H new ATOM 0 HB2 SER A 20 6.485 -0.768 6.130 1.00 0.00 H new ATOM 0 HB3 SER A 20 5.268 -1.355 7.245 1.00 0.00 H new ATOM 0 HG SER A 20 7.871 -1.011 7.708 1.00 0.00 H new ATOM 284 N PHE A 21 4.617 -2.144 4.197 1.00 0.00 N ATOM 285 CA PHE A 21 3.373 -2.084 3.437 1.00 0.00 C ATOM 286 C PHE A 21 2.968 -3.472 2.949 1.00 0.00 C ATOM 287 O PHE A 21 1.812 -3.875 3.081 1.00 0.00 O ATOM 288 CB PHE A 21 3.523 -1.136 2.246 1.00 0.00 C ATOM 289 CG PHE A 21 2.332 -1.128 1.332 1.00 0.00 C ATOM 290 CD1 PHE A 21 2.257 -2.006 0.263 1.00 0.00 C ATOM 291 CD2 PHE A 21 1.287 -0.243 1.542 1.00 0.00 C ATOM 292 CE1 PHE A 21 1.161 -2.002 -0.580 1.00 0.00 C ATOM 293 CE2 PHE A 21 0.189 -0.235 0.703 1.00 0.00 C ATOM 294 CZ PHE A 21 0.126 -1.114 -0.360 1.00 0.00 C ATOM 0 H PHE A 21 5.361 -1.548 3.835 1.00 0.00 H new ATOM 0 HA PHE A 21 2.591 -1.706 4.096 1.00 0.00 H new ATOM 0 HB2 PHE A 21 3.694 -0.125 2.616 1.00 0.00 H new ATOM 0 HB3 PHE A 21 4.407 -1.420 1.675 1.00 0.00 H new ATOM 0 HD1 PHE A 21 3.064 -2.702 0.086 1.00 0.00 H new ATOM 0 HD2 PHE A 21 1.331 0.448 2.371 1.00 0.00 H new ATOM 0 HE1 PHE A 21 1.114 -2.692 -1.409 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -0.620 0.459 0.879 1.00 0.00 H new ATOM 0 HZ PHE A 21 -0.730 -1.107 -1.018 1.00 0.00 H new ATOM 304 N ARG A 22 3.927 -4.198 2.384 1.00 0.00 N ATOM 305 CA ARG A 22 3.671 -5.539 1.874 1.00 0.00 C ATOM 306 C ARG A 22 3.050 -6.421 2.953 1.00 0.00 C ATOM 307 O ARG A 22 1.906 -6.859 2.828 1.00 0.00 O ATOM 308 CB ARG A 22 4.968 -6.172 1.367 1.00 0.00 C ATOM 309 CG ARG A 22 4.764 -7.133 0.207 1.00 0.00 C ATOM 310 CD ARG A 22 5.786 -8.259 0.230 1.00 0.00 C ATOM 311 NE ARG A 22 7.011 -7.902 -0.480 1.00 0.00 N ATOM 312 CZ ARG A 22 7.846 -8.794 -1.000 1.00 0.00 C ATOM 313 NH1 ARG A 22 7.588 -10.090 -0.891 1.00 0.00 N ATOM 314 NH2 ARG A 22 8.940 -8.391 -1.632 1.00 0.00 N ATOM 0 H ARG A 22 4.889 -3.879 2.268 1.00 0.00 H new ATOM 0 HA ARG A 22 2.967 -5.457 1.046 1.00 0.00 H new ATOM 0 HB2 ARG A 22 5.651 -5.381 1.057 1.00 0.00 H new ATOM 0 HB3 ARG A 22 5.448 -6.704 2.188 1.00 0.00 H new ATOM 0 HG2 ARG A 22 3.759 -7.552 0.252 1.00 0.00 H new ATOM 0 HG3 ARG A 22 4.841 -6.590 -0.735 1.00 0.00 H new ATOM 0 HD2 ARG A 22 6.026 -8.509 1.263 1.00 0.00 H new ATOM 0 HD3 ARG A 22 5.352 -9.151 -0.222 1.00 0.00 H new ATOM 0 HE ARG A 22 7.238 -6.913 -0.582 1.00 0.00 H new ATOM 0 HH11 ARG A 22 6.747 -10.404 -0.407 1.00 0.00 H new ATOM 0 HH12 ARG A 22 8.231 -10.773 -1.291 1.00 0.00 H new ATOM 0 HH21 ARG A 22 9.141 -7.395 -1.719 1.00 0.00 H new ATOM 0 HH22 ARG A 22 9.581 -9.077 -2.031 1.00 0.00 H new ATOM 328 N ALA A 23 3.812 -6.678 4.011 1.00 0.00 N ATOM 329 CA ALA A 23 3.336 -7.507 5.112 1.00 0.00 C ATOM 330 C ALA A 23 2.028 -6.966 5.680 1.00 0.00 C ATOM 331 O ALA A 23 0.994 -7.630 5.623 1.00 0.00 O ATOM 332 CB ALA A 23 4.392 -7.592 6.203 1.00 0.00 C ATOM 0 H ALA A 23 4.761 -6.324 4.129 1.00 0.00 H new ATOM 0 HA ALA A 23 3.147 -8.509 4.725 1.00 0.00 H new ATOM 0 HB1 ALA A 23 4.023 -8.214 7.019 1.00 0.00 H new ATOM 0 HB2 ALA A 23 5.302 -8.031 5.795 1.00 0.00 H new ATOM 0 HB3 ALA A 23 4.608 -6.592 6.579 1.00 0.00 H new ATOM 338 N GLY A 24 2.082 -5.756 6.230 1.00 0.00 N ATOM 339 CA GLY A 24 0.895 -5.148 6.801 1.00 0.00 C ATOM 340 C GLY A 24 -0.025 -6.166 7.446 1.00 0.00 C ATOM 341 O GLY A 24 0.321 -6.770 8.460 1.00 0.00 O ATOM 0 H GLY A 24 2.926 -5.187 6.290 1.00 0.00 H new ATOM 0 HA2 GLY A 24 1.191 -4.408 7.545 1.00 0.00 H new ATOM 0 HA3 GLY A 24 0.352 -4.615 6.020 1.00 0.00 H new ATOM 622 N CYS A 40 -8.043 -8.924 -2.440 1.00 0.00 N ATOM 623 CA CYS A 40 -7.938 -7.628 -3.101 1.00 0.00 C ATOM 624 C CYS A 40 -8.221 -6.493 -2.122 1.00 0.00 C ATOM 625 O CYS A 40 -8.969 -6.663 -1.158 1.00 0.00 O ATOM 626 CB CYS A 40 -8.909 -7.554 -4.281 1.00 0.00 C ATOM 627 SG CYS A 40 -10.648 -7.725 -3.817 1.00 0.00 S ATOM 0 HA CYS A 40 -6.919 -7.518 -3.471 1.00 0.00 H new ATOM 0 HB2 CYS A 40 -8.772 -6.601 -4.791 1.00 0.00 H new ATOM 0 HB3 CYS A 40 -8.656 -8.337 -4.996 1.00 0.00 H new ATOM 0 HG CYS A 40 -10.799 -7.393 -2.569 1.00 0.00 H new ATOM 633 N PHE A 41 -7.618 -5.337 -2.374 1.00 0.00 N ATOM 634 CA PHE A 41 -7.802 -4.174 -1.513 1.00 0.00 C ATOM 635 C PHE A 41 -8.080 -2.923 -2.341 1.00 0.00 C ATOM 636 O PHE A 41 -7.358 -2.621 -3.292 1.00 0.00 O ATOM 637 CB PHE A 41 -6.565 -3.958 -0.640 1.00 0.00 C ATOM 638 CG PHE A 41 -5.273 -4.020 -1.404 1.00 0.00 C ATOM 639 CD1 PHE A 41 -4.865 -2.953 -2.188 1.00 0.00 C ATOM 640 CD2 PHE A 41 -4.468 -5.146 -1.340 1.00 0.00 C ATOM 641 CE1 PHE A 41 -3.677 -3.006 -2.892 1.00 0.00 C ATOM 642 CE2 PHE A 41 -3.279 -5.205 -2.042 1.00 0.00 C ATOM 643 CZ PHE A 41 -2.884 -4.135 -2.820 1.00 0.00 C ATOM 0 H PHE A 41 -6.997 -5.180 -3.168 1.00 0.00 H new ATOM 0 HA PHE A 41 -8.662 -4.361 -0.871 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -6.641 -2.988 -0.149 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -6.549 -4.712 0.147 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -5.483 -2.069 -2.250 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -4.773 -5.987 -0.735 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -3.369 -2.166 -3.497 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -2.659 -6.087 -1.982 1.00 0.00 H new ATOM 0 HZ PHE A 41 -1.957 -4.181 -3.371 1.00 0.00 H new ATOM 653 N THR A 42 -9.132 -2.198 -1.972 1.00 0.00 N ATOM 654 CA THR A 42 -9.507 -0.981 -2.681 1.00 0.00 C ATOM 655 C THR A 42 -8.436 0.094 -2.531 1.00 0.00 C ATOM 656 O THR A 42 -7.977 0.377 -1.425 1.00 0.00 O ATOM 657 CB THR A 42 -10.850 -0.425 -2.171 1.00 0.00 C ATOM 658 OG1 THR A 42 -10.756 -0.120 -0.775 1.00 0.00 O ATOM 659 CG2 THR A 42 -11.972 -1.427 -2.402 1.00 0.00 C ATOM 0 H THR A 42 -9.739 -2.433 -1.187 1.00 0.00 H new ATOM 0 HA THR A 42 -9.608 -1.246 -3.733 1.00 0.00 H new ATOM 0 HB THR A 42 -11.076 0.485 -2.726 1.00 0.00 H new ATOM 0 HG1 THR A 42 -11.613 0.234 -0.459 1.00 0.00 H new ATOM 0 HG21 THR A 42 -12.911 -1.013 -2.034 1.00 0.00 H new ATOM 0 HG22 THR A 42 -12.060 -1.635 -3.468 1.00 0.00 H new ATOM 0 HG23 THR A 42 -11.750 -2.352 -1.869 1.00 0.00 H new ATOM 667 N ALA A 43 -8.043 0.691 -3.652 1.00 0.00 N ATOM 668 CA ALA A 43 -7.028 1.737 -3.645 1.00 0.00 C ATOM 669 C ALA A 43 -7.182 2.643 -2.428 1.00 0.00 C ATOM 670 O ALA A 43 -6.221 2.892 -1.701 1.00 0.00 O ATOM 671 CB ALA A 43 -7.102 2.553 -4.927 1.00 0.00 C ATOM 0 H ALA A 43 -8.412 0.468 -4.576 1.00 0.00 H new ATOM 0 HA ALA A 43 -6.050 1.260 -3.588 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -6.338 3.331 -4.908 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -6.934 1.900 -5.784 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -8.087 3.013 -5.009 1.00 0.00 H new ATOM 677 N GLY A 44 -8.399 3.135 -2.213 1.00 0.00 N ATOM 678 CA GLY A 44 -8.656 4.010 -1.084 1.00 0.00 C ATOM 679 C GLY A 44 -8.177 3.419 0.228 1.00 0.00 C ATOM 680 O GLY A 44 -7.417 4.053 0.959 1.00 0.00 O ATOM 0 H GLY A 44 -9.211 2.943 -2.800 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -8.161 4.967 -1.250 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -9.725 4.211 -1.020 1.00 0.00 H new ATOM 684 N GLU A 45 -8.624 2.203 0.526 1.00 0.00 N ATOM 685 CA GLU A 45 -8.237 1.529 1.760 1.00 0.00 C ATOM 686 C GLU A 45 -6.733 1.636 1.990 1.00 0.00 C ATOM 687 O GLU A 45 -6.284 1.992 3.079 1.00 0.00 O ATOM 688 CB GLU A 45 -8.655 0.058 1.716 1.00 0.00 C ATOM 689 CG GLU A 45 -8.383 -0.691 3.010 1.00 0.00 C ATOM 690 CD GLU A 45 -8.135 -2.170 2.787 1.00 0.00 C ATOM 691 OE1 GLU A 45 -7.223 -2.506 2.003 1.00 0.00 O ATOM 692 OE2 GLU A 45 -8.852 -2.991 3.396 1.00 0.00 O ATOM 0 H GLU A 45 -9.254 1.665 -0.069 1.00 0.00 H new ATOM 0 HA GLU A 45 -8.749 2.020 2.588 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -9.719 -0.002 1.488 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -8.126 -0.437 0.901 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -7.517 -0.252 3.504 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -9.231 -0.566 3.683 1.00 0.00 H new ATOM 699 N ALA A 46 -5.958 1.324 0.955 1.00 0.00 N ATOM 700 CA ALA A 46 -4.505 1.386 1.043 1.00 0.00 C ATOM 701 C ALA A 46 -4.038 2.783 1.437 1.00 0.00 C ATOM 702 O ALA A 46 -3.163 2.939 2.289 1.00 0.00 O ATOM 703 CB ALA A 46 -3.878 0.972 -0.280 1.00 0.00 C ATOM 0 H ALA A 46 -6.313 1.026 0.046 1.00 0.00 H new ATOM 0 HA ALA A 46 -4.183 0.691 1.819 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -2.792 1.023 -0.200 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -4.177 -0.048 -0.521 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -4.216 1.644 -1.069 1.00 0.00 H new ATOM 709 N VAL A 47 -4.626 3.798 0.811 1.00 0.00 N ATOM 710 CA VAL A 47 -4.270 5.182 1.097 1.00 0.00 C ATOM 711 C VAL A 47 -4.146 5.419 2.598 1.00 0.00 C ATOM 712 O VAL A 47 -3.294 6.186 3.047 1.00 0.00 O ATOM 713 CB VAL A 47 -5.309 6.160 0.518 1.00 0.00 C ATOM 714 CG1 VAL A 47 -4.958 7.593 0.886 1.00 0.00 C ATOM 715 CG2 VAL A 47 -5.410 5.998 -0.992 1.00 0.00 C ATOM 0 H VAL A 47 -5.351 3.687 0.102 1.00 0.00 H new ATOM 0 HA VAL A 47 -3.306 5.365 0.623 1.00 0.00 H new ATOM 0 HB VAL A 47 -6.282 5.927 0.952 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -5.704 8.269 0.468 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -4.942 7.697 1.971 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -3.976 7.842 0.483 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -6.149 6.697 -1.384 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -4.440 6.203 -1.446 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -5.713 4.978 -1.229 1.00 0.00 H new ATOM 725 N ASP A 48 -5.001 4.756 3.368 1.00 0.00 N ATOM 726 CA ASP A 48 -4.987 4.893 4.820 1.00 0.00 C ATOM 727 C ASP A 48 -3.877 4.047 5.435 1.00 0.00 C ATOM 728 O ASP A 48 -3.023 4.558 6.159 1.00 0.00 O ATOM 729 CB ASP A 48 -6.340 4.485 5.405 1.00 0.00 C ATOM 730 CG ASP A 48 -6.464 4.833 6.875 1.00 0.00 C ATOM 731 OD1 ASP A 48 -6.876 5.971 7.183 1.00 0.00 O ATOM 732 OD2 ASP A 48 -6.149 3.967 7.718 1.00 0.00 O ATOM 0 H ASP A 48 -5.713 4.118 3.011 1.00 0.00 H new ATOM 0 HA ASP A 48 -4.797 5.939 5.060 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -7.137 4.979 4.849 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -6.480 3.412 5.276 1.00 0.00 H new ATOM 737 N TRP A 49 -3.896 2.752 5.142 1.00 0.00 N ATOM 738 CA TRP A 49 -2.891 1.834 5.667 1.00 0.00 C ATOM 739 C TRP A 49 -1.486 2.381 5.444 1.00 0.00 C ATOM 740 O TRP A 49 -0.701 2.505 6.386 1.00 0.00 O ATOM 741 CB TRP A 49 -3.029 0.462 5.006 1.00 0.00 C ATOM 742 CG TRP A 49 -1.744 -0.309 4.965 1.00 0.00 C ATOM 743 CD1 TRP A 49 -1.239 -1.005 3.904 1.00 0.00 C ATOM 744 CD2 TRP A 49 -0.804 -0.464 6.034 1.00 0.00 C ATOM 745 NE1 TRP A 49 -0.041 -1.583 4.249 1.00 0.00 N ATOM 746 CE2 TRP A 49 0.249 -1.266 5.550 1.00 0.00 C ATOM 747 CE3 TRP A 49 -0.747 -0.003 7.352 1.00 0.00 C ATOM 748 CZ2 TRP A 49 1.342 -1.614 6.338 1.00 0.00 C ATOM 749 CZ3 TRP A 49 0.338 -0.350 8.133 1.00 0.00 C ATOM 750 CH2 TRP A 49 1.371 -1.149 7.624 1.00 0.00 C ATOM 0 H TRP A 49 -4.596 2.313 4.544 1.00 0.00 H new ATOM 0 HA TRP A 49 -3.054 1.730 6.740 1.00 0.00 H new ATOM 0 HB2 TRP A 49 -3.777 -0.120 5.545 1.00 0.00 H new ATOM 0 HB3 TRP A 49 -3.399 0.592 3.989 1.00 0.00 H new ATOM 0 HD1 TRP A 49 -1.712 -1.089 2.936 1.00 0.00 H new ATOM 0 HE1 TRP A 49 0.539 -2.156 3.636 1.00 0.00 H new ATOM 0 HE3 TRP A 49 -1.538 0.614 7.753 1.00 0.00 H new ATOM 0 HZ2 TRP A 49 2.139 -2.229 5.948 1.00 0.00 H new ATOM 0 HZ3 TRP A 49 0.391 0.000 9.153 1.00 0.00 H new ATOM 0 HH2 TRP A 49 2.206 -1.403 8.260 1.00 0.00 H new ATOM 761 N LEU A 50 -1.173 2.707 4.195 1.00 0.00 N ATOM 762 CA LEU A 50 0.139 3.242 3.849 1.00 0.00 C ATOM 763 C LEU A 50 0.348 4.618 4.473 1.00 0.00 C ATOM 764 O LEU A 50 1.429 4.923 4.979 1.00 0.00 O ATOM 765 CB LEU A 50 0.291 3.330 2.330 1.00 0.00 C ATOM 766 CG LEU A 50 1.598 3.939 1.820 1.00 0.00 C ATOM 767 CD1 LEU A 50 2.741 2.947 1.963 1.00 0.00 C ATOM 768 CD2 LEU A 50 1.451 4.382 0.372 1.00 0.00 C ATOM 0 H LEU A 50 -1.810 2.610 3.405 1.00 0.00 H new ATOM 0 HA LEU A 50 0.896 2.565 4.245 1.00 0.00 H new ATOM 0 HB2 LEU A 50 0.196 2.326 1.917 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -0.538 3.917 1.935 1.00 0.00 H new ATOM 0 HG LEU A 50 1.828 4.816 2.425 1.00 0.00 H new ATOM 0 HD11 LEU A 50 3.662 3.398 1.595 1.00 0.00 H new ATOM 0 HD12 LEU A 50 2.862 2.680 3.013 1.00 0.00 H new ATOM 0 HD13 LEU A 50 2.519 2.051 1.384 1.00 0.00 H new ATOM 0 HD21 LEU A 50 2.391 4.813 0.026 1.00 0.00 H new ATOM 0 HD22 LEU A 50 1.196 3.522 -0.247 1.00 0.00 H new ATOM 0 HD23 LEU A 50 0.661 5.129 0.298 1.00 0.00 H new ATOM 780 N TYR A 51 -0.692 5.442 4.436 1.00 0.00 N ATOM 781 CA TYR A 51 -0.622 6.786 4.998 1.00 0.00 C ATOM 782 C TYR A 51 -0.104 6.751 6.432 1.00 0.00 C ATOM 783 O TYR A 51 0.951 7.307 6.737 1.00 0.00 O ATOM 784 CB TYR A 51 -2.000 7.451 4.957 1.00 0.00 C ATOM 785 CG TYR A 51 -2.159 8.574 5.956 1.00 0.00 C ATOM 786 CD1 TYR A 51 -1.500 9.785 5.781 1.00 0.00 C ATOM 787 CD2 TYR A 51 -2.969 8.425 7.076 1.00 0.00 C ATOM 788 CE1 TYR A 51 -1.642 10.814 6.691 1.00 0.00 C ATOM 789 CE2 TYR A 51 -3.118 9.450 7.990 1.00 0.00 C ATOM 790 CZ TYR A 51 -2.453 10.642 7.794 1.00 0.00 C ATOM 791 OH TYR A 51 -2.598 11.664 8.704 1.00 0.00 O ATOM 0 H TYR A 51 -1.594 5.204 4.023 1.00 0.00 H new ATOM 0 HA TYR A 51 0.074 7.369 4.394 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -2.177 7.840 3.954 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -2.764 6.697 5.146 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -0.866 9.924 4.918 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -3.490 7.492 7.234 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -1.121 11.748 6.540 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -3.752 9.318 8.854 1.00 0.00 H new ATOM 0 HH TYR A 51 -3.203 11.381 9.421 1.00 0.00 H new ATOM 801 N ASP A 52 -0.855 6.093 7.309 1.00 0.00 N ATOM 802 CA ASP A 52 -0.472 5.982 8.712 1.00 0.00 C ATOM 803 C ASP A 52 1.008 5.639 8.846 1.00 0.00 C ATOM 804 O ASP A 52 1.722 6.228 9.659 1.00 0.00 O ATOM 805 CB ASP A 52 -1.321 4.919 9.412 1.00 0.00 C ATOM 806 CG ASP A 52 -1.115 4.911 10.914 1.00 0.00 C ATOM 807 OD1 ASP A 52 -1.246 5.986 11.537 1.00 0.00 O ATOM 808 OD2 ASP A 52 -0.825 3.830 11.467 1.00 0.00 O ATOM 0 H ASP A 52 -1.732 5.629 7.073 1.00 0.00 H new ATOM 0 HA ASP A 52 -0.647 6.947 9.188 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -2.374 5.097 9.193 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -1.074 3.937 9.009 1.00 0.00 H new ATOM 813 N LEU A 53 1.463 4.682 8.045 1.00 0.00 N ATOM 814 CA LEU A 53 2.859 4.258 8.074 1.00 0.00 C ATOM 815 C LEU A 53 3.785 5.408 7.689 1.00 0.00 C ATOM 816 O LEU A 53 4.845 5.592 8.288 1.00 0.00 O ATOM 817 CB LEU A 53 3.073 3.076 7.127 1.00 0.00 C ATOM 818 CG LEU A 53 4.352 2.267 7.344 1.00 0.00 C ATOM 819 CD1 LEU A 53 4.158 1.251 8.459 1.00 0.00 C ATOM 820 CD2 LEU A 53 4.770 1.573 6.055 1.00 0.00 C ATOM 0 H LEU A 53 0.886 4.185 7.367 1.00 0.00 H new ATOM 0 HA LEU A 53 3.099 3.948 9.091 1.00 0.00 H new ATOM 0 HB2 LEU A 53 2.221 2.403 7.220 1.00 0.00 H new ATOM 0 HB3 LEU A 53 3.073 3.451 6.104 1.00 0.00 H new ATOM 0 HG LEU A 53 5.147 2.952 7.638 1.00 0.00 H new ATOM 0 HD11 LEU A 53 5.079 0.684 8.599 1.00 0.00 H new ATOM 0 HD12 LEU A 53 3.907 1.770 9.384 1.00 0.00 H new ATOM 0 HD13 LEU A 53 3.350 0.570 8.194 1.00 0.00 H new ATOM 0 HD21 LEU A 53 5.682 1.002 6.228 1.00 0.00 H new ATOM 0 HD22 LEU A 53 3.977 0.900 5.730 1.00 0.00 H new ATOM 0 HD23 LEU A 53 4.951 2.320 5.282 1.00 0.00 H new ATOM 832 N LEU A 54 3.376 6.179 6.688 1.00 0.00 N ATOM 833 CA LEU A 54 4.168 7.313 6.224 1.00 0.00 C ATOM 834 C LEU A 54 4.344 8.345 7.333 1.00 0.00 C ATOM 835 O LEU A 54 5.463 8.755 7.641 1.00 0.00 O ATOM 836 CB LEU A 54 3.503 7.962 5.009 1.00 0.00 C ATOM 837 CG LEU A 54 3.461 7.117 3.735 1.00 0.00 C ATOM 838 CD1 LEU A 54 2.524 7.740 2.712 1.00 0.00 C ATOM 839 CD2 LEU A 54 4.858 6.959 3.154 1.00 0.00 C ATOM 0 H LEU A 54 2.501 6.040 6.182 1.00 0.00 H new ATOM 0 HA LEU A 54 5.153 6.943 5.938 1.00 0.00 H new ATOM 0 HB2 LEU A 54 2.481 8.228 5.278 1.00 0.00 H new ATOM 0 HB3 LEU A 54 4.026 8.892 4.787 1.00 0.00 H new ATOM 0 HG LEU A 54 3.081 6.128 3.990 1.00 0.00 H new ATOM 0 HD11 LEU A 54 2.507 7.125 1.812 1.00 0.00 H new ATOM 0 HD12 LEU A 54 1.519 7.801 3.129 1.00 0.00 H new ATOM 0 HD13 LEU A 54 2.874 8.741 2.461 1.00 0.00 H new ATOM 0 HD21 LEU A 54 4.809 6.355 2.248 1.00 0.00 H new ATOM 0 HD22 LEU A 54 5.265 7.941 2.914 1.00 0.00 H new ATOM 0 HD23 LEU A 54 5.502 6.468 3.883 1.00 0.00 H new ATOM 851 N ARG A 55 3.232 8.759 7.931 1.00 0.00 N ATOM 852 CA ARG A 55 3.263 9.742 9.007 1.00 0.00 C ATOM 853 C ARG A 55 4.032 9.206 10.211 1.00 0.00 C ATOM 854 O ARG A 55 4.755 9.944 10.877 1.00 0.00 O ATOM 855 CB ARG A 55 1.840 10.119 9.424 1.00 0.00 C ATOM 856 CG ARG A 55 1.060 8.968 10.037 1.00 0.00 C ATOM 857 CD ARG A 55 -0.269 9.438 10.609 1.00 0.00 C ATOM 858 NE ARG A 55 -0.148 9.848 12.006 1.00 0.00 N ATOM 859 CZ ARG A 55 -1.137 9.751 12.888 1.00 0.00 C ATOM 860 NH1 ARG A 55 -2.312 9.260 12.520 1.00 0.00 N ATOM 861 NH2 ARG A 55 -0.951 10.146 14.141 1.00 0.00 N ATOM 0 H ARG A 55 2.298 8.429 7.688 1.00 0.00 H new ATOM 0 HA ARG A 55 3.774 10.631 8.638 1.00 0.00 H new ATOM 0 HB2 ARG A 55 1.886 10.938 10.141 1.00 0.00 H new ATOM 0 HB3 ARG A 55 1.301 10.488 8.552 1.00 0.00 H new ATOM 0 HG2 ARG A 55 0.882 8.204 9.280 1.00 0.00 H new ATOM 0 HG3 ARG A 55 1.653 8.504 10.825 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -0.644 10.273 10.017 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -1.003 8.636 10.529 1.00 0.00 H new ATOM 0 HE ARG A 55 0.744 10.229 12.321 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -2.459 8.955 11.558 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -3.069 9.187 13.199 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -0.048 10.524 14.428 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -1.711 10.071 14.817 1.00 0.00 H new ATOM 875 N ASN A 56 3.868 7.915 10.484 1.00 0.00 N ATOM 876 CA ASN A 56 4.545 7.280 11.609 1.00 0.00 C ATOM 877 C ASN A 56 6.060 7.409 11.475 1.00 0.00 C ATOM 878 O ASN A 56 6.766 7.608 12.462 1.00 0.00 O ATOM 879 CB ASN A 56 4.154 5.804 11.699 1.00 0.00 C ATOM 880 CG ASN A 56 5.234 4.958 12.346 1.00 0.00 C ATOM 881 OD1 ASN A 56 5.682 5.247 13.456 1.00 0.00 O ATOM 882 ND2 ASN A 56 5.657 3.907 11.654 1.00 0.00 N ATOM 0 H ASN A 56 3.273 7.289 9.942 1.00 0.00 H new ATOM 0 HA ASN A 56 4.234 7.788 12.522 1.00 0.00 H new ATOM 0 HB2 ASN A 56 3.231 5.710 12.271 1.00 0.00 H new ATOM 0 HB3 ASN A 56 3.949 5.424 10.698 1.00 0.00 H new ATOM 0 HD21 ASN A 56 6.382 3.301 12.039 1.00 0.00 H new ATOM 0 HD22 ASN A 56 5.257 3.705 10.738 1.00 0.00 H new ATOM 889 N ASN A 57 6.552 7.295 10.245 1.00 0.00 N ATOM 890 CA ASN A 57 7.982 7.399 9.981 1.00 0.00 C ATOM 891 C ASN A 57 8.527 8.742 10.458 1.00 0.00 C ATOM 892 O ASN A 57 7.766 9.670 10.735 1.00 0.00 O ATOM 893 CB ASN A 57 8.260 7.225 8.487 1.00 0.00 C ATOM 894 CG ASN A 57 9.655 6.693 8.217 1.00 0.00 C ATOM 895 OD1 ASN A 57 10.532 6.755 9.078 1.00 0.00 O ATOM 896 ND2 ASN A 57 9.865 6.168 7.015 1.00 0.00 N ATOM 0 H ASN A 57 5.981 7.131 9.416 1.00 0.00 H new ATOM 0 HA ASN A 57 8.486 6.606 10.532 1.00 0.00 H new ATOM 0 HB2 ASN A 57 7.525 6.543 8.060 1.00 0.00 H new ATOM 0 HB3 ASN A 57 8.136 8.183 7.983 1.00 0.00 H new ATOM 0 HD21 ASN A 57 10.783 5.795 6.775 1.00 0.00 H new ATOM 0 HD22 ASN A 57 9.108 6.138 6.332 1.00 0.00 H new ATOM 903 N SER A 58 9.849 8.839 10.551 1.00 0.00 N ATOM 904 CA SER A 58 10.496 10.068 10.997 1.00 0.00 C ATOM 905 C SER A 58 10.959 10.901 9.806 1.00 0.00 C ATOM 906 O SER A 58 10.892 12.129 9.830 1.00 0.00 O ATOM 907 CB SER A 58 11.688 9.742 11.900 1.00 0.00 C ATOM 908 OG SER A 58 12.678 9.014 11.195 1.00 0.00 O ATOM 0 H SER A 58 10.493 8.082 10.324 1.00 0.00 H new ATOM 0 HA SER A 58 9.768 10.649 11.563 1.00 0.00 H new ATOM 0 HB2 SER A 58 12.118 10.666 12.287 1.00 0.00 H new ATOM 0 HB3 SER A 58 11.350 9.163 12.759 1.00 0.00 H new ATOM 0 HG SER A 58 13.429 8.820 11.793 1.00 0.00 H new ATOM 914 N ASN A 59 11.429 10.223 8.764 1.00 0.00 N ATOM 915 CA ASN A 59 11.904 10.900 7.563 1.00 0.00 C ATOM 916 C ASN A 59 10.829 11.824 6.998 1.00 0.00 C ATOM 917 O ASN A 59 11.114 12.951 6.593 1.00 0.00 O ATOM 918 CB ASN A 59 12.319 9.875 6.505 1.00 0.00 C ATOM 919 CG ASN A 59 13.426 10.389 5.605 1.00 0.00 C ATOM 920 OD1 ASN A 59 13.168 10.907 4.518 1.00 0.00 O ATOM 921 ND2 ASN A 59 14.668 10.248 6.054 1.00 0.00 N ATOM 0 H ASN A 59 11.491 9.206 8.727 1.00 0.00 H new ATOM 0 HA ASN A 59 12.770 11.503 7.835 1.00 0.00 H new ATOM 0 HB2 ASN A 59 12.650 8.961 6.999 1.00 0.00 H new ATOM 0 HB3 ASN A 59 11.453 9.613 5.897 1.00 0.00 H new ATOM 0 HD21 ASN A 59 15.454 10.575 5.492 1.00 0.00 H new ATOM 0 HD22 ASN A 59 14.836 9.813 6.961 1.00 0.00 H new ATOM 928 N PHE A 60 9.592 11.338 6.974 1.00 0.00 N ATOM 929 CA PHE A 60 8.474 12.120 6.459 1.00 0.00 C ATOM 930 C PHE A 60 7.841 12.958 7.565 1.00 0.00 C ATOM 931 O PHE A 60 7.791 14.184 7.479 1.00 0.00 O ATOM 932 CB PHE A 60 7.423 11.197 5.837 1.00 0.00 C ATOM 933 CG PHE A 60 8.008 10.134 4.952 1.00 0.00 C ATOM 934 CD1 PHE A 60 9.217 10.338 4.307 1.00 0.00 C ATOM 935 CD2 PHE A 60 7.347 8.931 4.763 1.00 0.00 C ATOM 936 CE1 PHE A 60 9.758 9.361 3.492 1.00 0.00 C ATOM 937 CE2 PHE A 60 7.883 7.950 3.950 1.00 0.00 C ATOM 938 CZ PHE A 60 9.089 8.166 3.312 1.00 0.00 C ATOM 0 H PHE A 60 9.339 10.407 7.305 1.00 0.00 H new ATOM 0 HA PHE A 60 8.856 12.793 5.692 1.00 0.00 H new ATOM 0 HB2 PHE A 60 6.852 10.721 6.634 1.00 0.00 H new ATOM 0 HB3 PHE A 60 6.722 11.797 5.256 1.00 0.00 H new ATOM 0 HD1 PHE A 60 9.743 11.271 4.442 1.00 0.00 H new ATOM 0 HD2 PHE A 60 6.402 8.758 5.257 1.00 0.00 H new ATOM 0 HE1 PHE A 60 10.702 9.532 2.997 1.00 0.00 H new ATOM 0 HE2 PHE A 60 7.359 7.015 3.814 1.00 0.00 H new ATOM 0 HZ PHE A 60 9.508 7.402 2.674 1.00 0.00 H new ATOM 948 N GLY A 61 7.356 12.286 8.605 1.00 0.00 N ATOM 949 CA GLY A 61 6.732 12.984 9.714 1.00 0.00 C ATOM 950 C GLY A 61 5.224 13.055 9.578 1.00 0.00 C ATOM 951 O GLY A 61 4.649 12.639 8.572 1.00 0.00 O ATOM 0 H GLY A 61 7.384 11.271 8.699 1.00 0.00 H new ATOM 0 HA2 GLY A 61 6.987 12.480 10.646 1.00 0.00 H new ATOM 0 HA3 GLY A 61 7.136 13.994 9.777 1.00 0.00 H new ATOM 955 N PRO A 62 4.557 13.593 10.610 1.00 0.00 N ATOM 956 CA PRO A 62 3.098 13.729 10.626 1.00 0.00 C ATOM 957 C PRO A 62 2.603 14.776 9.634 1.00 0.00 C ATOM 958 O PRO A 62 1.399 14.988 9.491 1.00 0.00 O ATOM 959 CB PRO A 62 2.798 14.168 12.061 1.00 0.00 C ATOM 960 CG PRO A 62 4.049 14.833 12.523 1.00 0.00 C ATOM 961 CD PRO A 62 5.178 14.110 11.842 1.00 0.00 C ATOM 0 HA PRO A 62 2.599 12.804 10.336 1.00 0.00 H new ATOM 0 HB2 PRO A 62 1.950 14.852 12.097 1.00 0.00 H new ATOM 0 HB3 PRO A 62 2.547 13.315 12.692 1.00 0.00 H new ATOM 0 HG2 PRO A 62 4.048 15.891 12.261 1.00 0.00 H new ATOM 0 HG3 PRO A 62 4.145 14.774 13.607 1.00 0.00 H new ATOM 0 HD2 PRO A 62 6.010 14.779 11.623 1.00 0.00 H new ATOM 0 HD3 PRO A 62 5.572 13.305 12.462 1.00 0.00 H new ATOM 969 N GLU A 63 3.539 15.428 8.951 1.00 0.00 N ATOM 970 CA GLU A 63 3.196 16.453 7.973 1.00 0.00 C ATOM 971 C GLU A 63 2.681 15.823 6.682 1.00 0.00 C ATOM 972 O GLU A 63 1.941 16.450 5.924 1.00 0.00 O ATOM 973 CB GLU A 63 4.412 17.332 7.674 1.00 0.00 C ATOM 974 CG GLU A 63 5.629 16.550 7.208 1.00 0.00 C ATOM 975 CD GLU A 63 6.688 17.437 6.583 1.00 0.00 C ATOM 976 OE1 GLU A 63 7.554 17.941 7.328 1.00 0.00 O ATOM 977 OE2 GLU A 63 6.650 17.627 5.349 1.00 0.00 O ATOM 0 H GLU A 63 4.540 15.264 9.057 1.00 0.00 H new ATOM 0 HA GLU A 63 2.405 17.072 8.396 1.00 0.00 H new ATOM 0 HB2 GLU A 63 4.144 18.060 6.909 1.00 0.00 H new ATOM 0 HB3 GLU A 63 4.673 17.894 8.571 1.00 0.00 H new ATOM 0 HG2 GLU A 63 6.060 16.017 8.056 1.00 0.00 H new ATOM 0 HG3 GLU A 63 5.317 15.797 6.484 1.00 0.00 H new ATOM 984 N VAL A 64 3.078 14.578 6.439 1.00 0.00 N ATOM 985 CA VAL A 64 2.658 13.861 5.240 1.00 0.00 C ATOM 986 C VAL A 64 1.144 13.680 5.212 1.00 0.00 C ATOM 987 O VAL A 64 0.549 13.176 6.165 1.00 0.00 O ATOM 988 CB VAL A 64 3.331 12.480 5.147 1.00 0.00 C ATOM 989 CG1 VAL A 64 2.873 11.584 6.288 1.00 0.00 C ATOM 990 CG2 VAL A 64 3.038 11.834 3.801 1.00 0.00 C ATOM 0 H VAL A 64 3.690 14.045 7.056 1.00 0.00 H new ATOM 0 HA VAL A 64 2.966 14.464 4.386 1.00 0.00 H new ATOM 0 HB VAL A 64 4.409 12.615 5.233 1.00 0.00 H new ATOM 0 HG11 VAL A 64 3.360 10.612 6.205 1.00 0.00 H new ATOM 0 HG12 VAL A 64 3.139 12.043 7.240 1.00 0.00 H new ATOM 0 HG13 VAL A 64 1.792 11.454 6.237 1.00 0.00 H new ATOM 0 HG21 VAL A 64 3.522 10.858 3.753 1.00 0.00 H new ATOM 0 HG22 VAL A 64 1.961 11.712 3.683 1.00 0.00 H new ATOM 0 HG23 VAL A 64 3.421 12.469 3.002 1.00 0.00 H new ATOM 1000 N THR A 65 0.525 14.094 4.110 1.00 0.00 N ATOM 1001 CA THR A 65 -0.920 13.978 3.957 1.00 0.00 C ATOM 1002 C THR A 65 -1.277 13.039 2.810 1.00 0.00 C ATOM 1003 O THR A 65 -0.414 12.644 2.027 1.00 0.00 O ATOM 1004 CB THR A 65 -1.570 15.351 3.702 1.00 0.00 C ATOM 1005 OG1 THR A 65 -1.109 15.888 2.457 1.00 0.00 O ATOM 1006 CG2 THR A 65 -1.246 16.320 4.829 1.00 0.00 C ATOM 0 H THR A 65 1.002 14.512 3.311 1.00 0.00 H new ATOM 0 HA THR A 65 -1.305 13.570 4.891 1.00 0.00 H new ATOM 0 HB THR A 65 -2.651 15.215 3.660 1.00 0.00 H new ATOM 0 HG1 THR A 65 -1.875 16.053 1.868 1.00 0.00 H new ATOM 0 HG21 THR A 65 -1.715 17.283 4.627 1.00 0.00 H new ATOM 0 HG22 THR A 65 -1.624 15.922 5.771 1.00 0.00 H new ATOM 0 HG23 THR A 65 -0.166 16.450 4.898 1.00 0.00 H new ATOM 1014 N ARG A 66 -2.555 12.685 2.718 1.00 0.00 N ATOM 1015 CA ARG A 66 -3.026 11.791 1.667 1.00 0.00 C ATOM 1016 C ARG A 66 -2.376 12.135 0.330 1.00 0.00 C ATOM 1017 O ARG A 66 -1.861 11.258 -0.364 1.00 0.00 O ATOM 1018 CB ARG A 66 -4.548 11.874 1.542 1.00 0.00 C ATOM 1019 CG ARG A 66 -5.190 10.587 1.050 1.00 0.00 C ATOM 1020 CD ARG A 66 -6.573 10.840 0.470 1.00 0.00 C ATOM 1021 NE ARG A 66 -7.470 11.457 1.443 1.00 0.00 N ATOM 1022 CZ ARG A 66 -8.065 10.786 2.423 1.00 0.00 C ATOM 1023 NH1 ARG A 66 -7.857 9.483 2.560 1.00 0.00 N ATOM 1024 NH2 ARG A 66 -8.868 11.418 3.269 1.00 0.00 N ATOM 0 H ARG A 66 -3.282 13.004 3.358 1.00 0.00 H new ATOM 0 HA ARG A 66 -2.745 10.773 1.937 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -4.970 12.132 2.513 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -4.804 12.683 0.858 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -4.555 10.129 0.292 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -5.264 9.878 1.875 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -6.487 11.486 -0.404 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -7.001 9.897 0.129 1.00 0.00 H new ATOM 0 HE ARG A 66 -7.650 12.458 1.366 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -7.239 8.994 1.912 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -8.315 8.970 3.313 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -9.029 12.420 3.167 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -9.324 10.902 4.021 1.00 0.00 H new ATOM 1038 N GLN A 67 -2.405 13.415 -0.025 1.00 0.00 N ATOM 1039 CA GLN A 67 -1.820 13.873 -1.280 1.00 0.00 C ATOM 1040 C GLN A 67 -0.460 13.225 -1.515 1.00 0.00 C ATOM 1041 O GLN A 67 -0.184 12.718 -2.602 1.00 0.00 O ATOM 1042 CB GLN A 67 -1.678 15.396 -1.274 1.00 0.00 C ATOM 1043 CG GLN A 67 -2.984 16.130 -1.530 1.00 0.00 C ATOM 1044 CD GLN A 67 -3.785 16.355 -0.262 1.00 0.00 C ATOM 1045 OE1 GLN A 67 -3.238 16.345 0.841 1.00 0.00 O ATOM 1046 NE2 GLN A 67 -5.088 16.561 -0.413 1.00 0.00 N ATOM 0 H GLN A 67 -2.827 14.153 0.538 1.00 0.00 H new ATOM 0 HA GLN A 67 -2.487 13.580 -2.091 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -1.276 15.711 -0.311 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -0.952 15.688 -2.033 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -2.770 17.092 -1.996 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -3.585 15.559 -2.238 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -5.500 16.561 -1.346 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -5.677 16.719 0.404 1.00 0.00 H new ATOM 1055 N GLN A 68 0.385 13.245 -0.489 1.00 0.00 N ATOM 1056 CA GLN A 68 1.717 12.660 -0.585 1.00 0.00 C ATOM 1057 C GLN A 68 1.636 11.145 -0.742 1.00 0.00 C ATOM 1058 O GLN A 68 2.373 10.550 -1.528 1.00 0.00 O ATOM 1059 CB GLN A 68 2.544 13.013 0.652 1.00 0.00 C ATOM 1060 CG GLN A 68 3.256 14.352 0.546 1.00 0.00 C ATOM 1061 CD GLN A 68 4.415 14.320 -0.431 1.00 0.00 C ATOM 1062 OE1 GLN A 68 4.363 14.942 -1.493 1.00 0.00 O ATOM 1063 NE2 GLN A 68 5.468 13.594 -0.078 1.00 0.00 N ATOM 0 H GLN A 68 0.171 13.660 0.418 1.00 0.00 H new ATOM 0 HA GLN A 68 2.204 13.073 -1.468 1.00 0.00 H new ATOM 0 HB2 GLN A 68 1.890 13.027 1.524 1.00 0.00 H new ATOM 0 HB3 GLN A 68 3.283 12.230 0.820 1.00 0.00 H new ATOM 0 HG2 GLN A 68 2.543 15.115 0.233 1.00 0.00 H new ATOM 0 HG3 GLN A 68 3.623 14.643 1.530 1.00 0.00 H new ATOM 0 HE21 GLN A 68 5.468 13.095 0.811 1.00 0.00 H new ATOM 0 HE22 GLN A 68 6.277 13.535 -0.696 1.00 0.00 H new ATOM 1072 N THR A 69 0.735 10.524 0.014 1.00 0.00 N ATOM 1073 CA THR A 69 0.558 9.079 -0.039 1.00 0.00 C ATOM 1074 C THR A 69 0.239 8.615 -1.456 1.00 0.00 C ATOM 1075 O THR A 69 0.936 7.767 -2.013 1.00 0.00 O ATOM 1076 CB THR A 69 -0.567 8.615 0.906 1.00 0.00 C ATOM 1077 OG1 THR A 69 -0.346 9.135 2.222 1.00 0.00 O ATOM 1078 CG2 THR A 69 -0.637 7.097 0.960 1.00 0.00 C ATOM 0 H THR A 69 0.117 11.001 0.670 1.00 0.00 H new ATOM 0 HA THR A 69 1.500 8.634 0.283 1.00 0.00 H new ATOM 0 HB THR A 69 -1.514 8.992 0.521 1.00 0.00 H new ATOM 0 HG1 THR A 69 -1.200 9.419 2.609 1.00 0.00 H new ATOM 0 HG21 THR A 69 -1.439 6.793 1.633 1.00 0.00 H new ATOM 0 HG22 THR A 69 -0.834 6.706 -0.038 1.00 0.00 H new ATOM 0 HG23 THR A 69 0.312 6.702 1.324 1.00 0.00 H new ATOM 1086 N ILE A 70 -0.818 9.178 -2.033 1.00 0.00 N ATOM 1087 CA ILE A 70 -1.227 8.823 -3.386 1.00 0.00 C ATOM 1088 C ILE A 70 -0.063 8.947 -4.364 1.00 0.00 C ATOM 1089 O ILE A 70 0.131 8.089 -5.224 1.00 0.00 O ATOM 1090 CB ILE A 70 -2.389 9.709 -3.874 1.00 0.00 C ATOM 1091 CG1 ILE A 70 -3.603 9.546 -2.957 1.00 0.00 C ATOM 1092 CG2 ILE A 70 -2.753 9.363 -5.310 1.00 0.00 C ATOM 1093 CD1 ILE A 70 -4.709 10.538 -3.237 1.00 0.00 C ATOM 0 H ILE A 70 -1.406 9.881 -1.585 1.00 0.00 H new ATOM 0 HA ILE A 70 -1.561 7.786 -3.352 1.00 0.00 H new ATOM 0 HB ILE A 70 -2.070 10.751 -3.842 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -3.997 8.535 -3.065 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -3.283 9.654 -1.921 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -3.575 9.998 -5.640 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -1.889 9.525 -5.954 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -3.056 8.318 -5.367 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -5.537 10.363 -2.550 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -4.332 11.552 -3.101 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -5.057 10.415 -4.263 1.00 0.00 H new ATOM 1105 N GLN A 71 0.709 10.020 -4.222 1.00 0.00 N ATOM 1106 CA GLN A 71 1.855 10.255 -5.092 1.00 0.00 C ATOM 1107 C GLN A 71 2.831 9.085 -5.036 1.00 0.00 C ATOM 1108 O GLN A 71 3.283 8.589 -6.069 1.00 0.00 O ATOM 1109 CB GLN A 71 2.568 11.548 -4.693 1.00 0.00 C ATOM 1110 CG GLN A 71 1.960 12.795 -5.316 1.00 0.00 C ATOM 1111 CD GLN A 71 2.977 13.901 -5.520 1.00 0.00 C ATOM 1112 OE1 GLN A 71 3.417 14.157 -6.641 1.00 0.00 O ATOM 1113 NE2 GLN A 71 3.356 14.564 -4.434 1.00 0.00 N ATOM 0 H GLN A 71 0.562 10.739 -3.514 1.00 0.00 H new ATOM 0 HA GLN A 71 1.489 10.350 -6.114 1.00 0.00 H new ATOM 0 HB2 GLN A 71 2.545 11.646 -3.608 1.00 0.00 H new ATOM 0 HB3 GLN A 71 3.616 11.480 -4.985 1.00 0.00 H new ATOM 0 HG2 GLN A 71 1.513 12.536 -6.276 1.00 0.00 H new ATOM 0 HG3 GLN A 71 1.155 13.160 -4.678 1.00 0.00 H new ATOM 0 HE21 GLN A 71 2.965 14.318 -3.524 1.00 0.00 H new ATOM 0 HE22 GLN A 71 4.038 15.319 -4.509 1.00 0.00 H new ATOM 1122 N LEU A 72 3.153 8.647 -3.823 1.00 0.00 N ATOM 1123 CA LEU A 72 4.076 7.534 -3.632 1.00 0.00 C ATOM 1124 C LEU A 72 3.471 6.230 -4.141 1.00 0.00 C ATOM 1125 O LEU A 72 4.157 5.414 -4.758 1.00 0.00 O ATOM 1126 CB LEU A 72 4.440 7.397 -2.152 1.00 0.00 C ATOM 1127 CG LEU A 72 5.309 6.194 -1.783 1.00 0.00 C ATOM 1128 CD1 LEU A 72 6.695 6.330 -2.394 1.00 0.00 C ATOM 1129 CD2 LEU A 72 5.402 6.047 -0.272 1.00 0.00 C ATOM 0 H LEU A 72 2.788 9.046 -2.958 1.00 0.00 H new ATOM 0 HA LEU A 72 4.980 7.741 -4.205 1.00 0.00 H new ATOM 0 HB2 LEU A 72 4.959 8.304 -1.841 1.00 0.00 H new ATOM 0 HB3 LEU A 72 3.517 7.344 -1.575 1.00 0.00 H new ATOM 0 HG LEU A 72 4.843 5.295 -2.187 1.00 0.00 H new ATOM 0 HD11 LEU A 72 7.299 5.465 -2.121 1.00 0.00 H new ATOM 0 HD12 LEU A 72 6.610 6.385 -3.479 1.00 0.00 H new ATOM 0 HD13 LEU A 72 7.170 7.237 -2.020 1.00 0.00 H new ATOM 0 HD21 LEU A 72 6.024 5.186 -0.028 1.00 0.00 H new ATOM 0 HD22 LEU A 72 5.845 6.947 0.155 1.00 0.00 H new ATOM 0 HD23 LEU A 72 4.404 5.902 0.142 1.00 0.00 H new ATOM 1141 N LEU A 73 2.182 6.041 -3.881 1.00 0.00 N ATOM 1142 CA LEU A 73 1.483 4.837 -4.315 1.00 0.00 C ATOM 1143 C LEU A 73 1.763 4.545 -5.786 1.00 0.00 C ATOM 1144 O LEU A 73 1.855 3.387 -6.192 1.00 0.00 O ATOM 1145 CB LEU A 73 -0.023 4.989 -4.091 1.00 0.00 C ATOM 1146 CG LEU A 73 -0.833 3.693 -4.068 1.00 0.00 C ATOM 1147 CD1 LEU A 73 -0.720 3.017 -2.710 1.00 0.00 C ATOM 1148 CD2 LEU A 73 -2.290 3.967 -4.410 1.00 0.00 C ATOM 0 H LEU A 73 1.600 6.706 -3.372 1.00 0.00 H new ATOM 0 HA LEU A 73 1.850 4.000 -3.721 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -0.179 5.508 -3.145 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -0.424 5.630 -4.876 1.00 0.00 H new ATOM 0 HG LEU A 73 -0.425 3.019 -4.822 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -1.303 2.096 -2.712 1.00 0.00 H new ATOM 0 HD12 LEU A 73 0.325 2.784 -2.505 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -1.101 3.686 -1.938 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -2.851 3.033 -4.389 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -2.711 4.659 -3.681 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -2.354 4.406 -5.406 1.00 0.00 H new ATOM 1160 N ARG A 74 1.899 5.603 -6.578 1.00 0.00 N ATOM 1161 CA ARG A 74 2.169 5.460 -8.004 1.00 0.00 C ATOM 1162 C ARG A 74 3.457 4.675 -8.236 1.00 0.00 C ATOM 1163 O ARG A 74 3.498 3.758 -9.057 1.00 0.00 O ATOM 1164 CB ARG A 74 2.272 6.836 -8.665 1.00 0.00 C ATOM 1165 CG ARG A 74 0.931 7.530 -8.838 1.00 0.00 C ATOM 1166 CD ARG A 74 1.076 9.043 -8.784 1.00 0.00 C ATOM 1167 NE ARG A 74 0.079 9.717 -9.612 1.00 0.00 N ATOM 1168 CZ ARG A 74 0.244 9.963 -10.907 1.00 0.00 C ATOM 1169 NH1 ARG A 74 1.359 9.591 -11.519 1.00 0.00 N ATOM 1170 NH2 ARG A 74 -0.709 10.582 -11.592 1.00 0.00 N ATOM 0 H ARG A 74 1.827 6.568 -6.257 1.00 0.00 H new ATOM 0 HA ARG A 74 1.342 4.910 -8.453 1.00 0.00 H new ATOM 0 HB2 ARG A 74 2.925 7.470 -8.065 1.00 0.00 H new ATOM 0 HB3 ARG A 74 2.744 6.726 -9.642 1.00 0.00 H new ATOM 0 HG2 ARG A 74 0.490 7.239 -9.791 1.00 0.00 H new ATOM 0 HG3 ARG A 74 0.246 7.201 -8.057 1.00 0.00 H new ATOM 0 HD2 ARG A 74 0.978 9.380 -7.752 1.00 0.00 H new ATOM 0 HD3 ARG A 74 2.075 9.324 -9.118 1.00 0.00 H new ATOM 0 HE ARG A 74 -0.791 10.015 -9.172 1.00 0.00 H new ATOM 0 HH11 ARG A 74 2.093 9.114 -10.996 1.00 0.00 H new ATOM 0 HH12 ARG A 74 1.483 9.781 -12.513 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -1.569 10.869 -11.124 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -0.582 10.771 -12.586 1.00 0.00 H new ATOM 1184 N LYS A 75 4.507 5.041 -7.509 1.00 0.00 N ATOM 1185 CA LYS A 75 5.796 4.372 -7.635 1.00 0.00 C ATOM 1186 C LYS A 75 5.645 2.864 -7.463 1.00 0.00 C ATOM 1187 O LYS A 75 5.939 2.092 -8.376 1.00 0.00 O ATOM 1188 CB LYS A 75 6.780 4.918 -6.598 1.00 0.00 C ATOM 1189 CG LYS A 75 7.595 6.099 -7.096 1.00 0.00 C ATOM 1190 CD LYS A 75 8.108 6.948 -5.945 1.00 0.00 C ATOM 1191 CE LYS A 75 9.148 7.954 -6.414 1.00 0.00 C ATOM 1192 NZ LYS A 75 9.331 9.060 -5.434 1.00 0.00 N ATOM 0 H LYS A 75 4.490 5.798 -6.826 1.00 0.00 H new ATOM 0 HA LYS A 75 6.184 4.569 -8.634 1.00 0.00 H new ATOM 0 HB2 LYS A 75 6.227 5.218 -5.708 1.00 0.00 H new ATOM 0 HB3 LYS A 75 7.459 4.120 -6.298 1.00 0.00 H new ATOM 0 HG2 LYS A 75 8.437 5.738 -7.686 1.00 0.00 H new ATOM 0 HG3 LYS A 75 6.982 6.712 -7.757 1.00 0.00 H new ATOM 0 HD2 LYS A 75 7.274 7.475 -5.480 1.00 0.00 H new ATOM 0 HD3 LYS A 75 8.543 6.303 -5.181 1.00 0.00 H new ATOM 0 HE2 LYS A 75 10.100 7.446 -6.570 1.00 0.00 H new ATOM 0 HE3 LYS A 75 8.845 8.368 -7.376 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 10.048 9.724 -5.790 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 8.429 9.561 -5.303 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 9.644 8.668 -4.523 1.00 0.00 H new ATOM 1206 N PHE A 76 5.184 2.450 -6.287 1.00 0.00 N ATOM 1207 CA PHE A 76 4.993 1.034 -5.996 1.00 0.00 C ATOM 1208 C PHE A 76 4.443 0.297 -7.214 1.00 0.00 C ATOM 1209 O PHE A 76 5.059 -0.645 -7.714 1.00 0.00 O ATOM 1210 CB PHE A 76 4.044 0.859 -4.809 1.00 0.00 C ATOM 1211 CG PHE A 76 4.554 1.475 -3.537 1.00 0.00 C ATOM 1212 CD1 PHE A 76 5.904 1.433 -3.225 1.00 0.00 C ATOM 1213 CD2 PHE A 76 3.685 2.096 -2.656 1.00 0.00 C ATOM 1214 CE1 PHE A 76 6.375 1.999 -2.055 1.00 0.00 C ATOM 1215 CE2 PHE A 76 4.151 2.664 -1.485 1.00 0.00 C ATOM 1216 CZ PHE A 76 5.498 2.616 -1.185 1.00 0.00 C ATOM 0 H PHE A 76 4.936 3.075 -5.520 1.00 0.00 H new ATOM 0 HA PHE A 76 5.963 0.607 -5.743 1.00 0.00 H new ATOM 0 HB2 PHE A 76 3.080 1.303 -5.057 1.00 0.00 H new ATOM 0 HB3 PHE A 76 3.873 -0.205 -4.645 1.00 0.00 H new ATOM 0 HD1 PHE A 76 6.595 0.953 -3.903 1.00 0.00 H new ATOM 0 HD2 PHE A 76 2.631 2.137 -2.886 1.00 0.00 H new ATOM 0 HE1 PHE A 76 7.429 1.959 -1.821 1.00 0.00 H new ATOM 0 HE2 PHE A 76 3.463 3.145 -0.806 1.00 0.00 H new ATOM 0 HZ PHE A 76 5.865 3.060 -0.272 1.00 0.00 H new ATOM 1226 N LEU A 77 3.281 0.734 -7.687 1.00 0.00 N ATOM 1227 CA LEU A 77 2.646 0.117 -8.846 1.00 0.00 C ATOM 1228 C LEU A 77 3.649 -0.070 -9.981 1.00 0.00 C ATOM 1229 O LEU A 77 3.773 -1.159 -10.541 1.00 0.00 O ATOM 1230 CB LEU A 77 1.471 0.971 -9.324 1.00 0.00 C ATOM 1231 CG LEU A 77 0.748 0.478 -10.578 1.00 0.00 C ATOM 1232 CD1 LEU A 77 -0.040 -0.787 -10.276 1.00 0.00 C ATOM 1233 CD2 LEU A 77 -0.168 1.562 -11.126 1.00 0.00 C ATOM 0 H LEU A 77 2.759 1.513 -7.286 1.00 0.00 H new ATOM 0 HA LEU A 77 2.276 -0.864 -8.547 1.00 0.00 H new ATOM 0 HB2 LEU A 77 0.745 1.040 -8.514 1.00 0.00 H new ATOM 0 HB3 LEU A 77 1.835 1.981 -9.512 1.00 0.00 H new ATOM 0 HG LEU A 77 1.494 0.244 -11.337 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -0.548 -1.124 -11.180 1.00 0.00 H new ATOM 0 HD12 LEU A 77 0.640 -1.566 -9.931 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -0.778 -0.580 -9.501 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -0.674 1.194 -12.018 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -0.909 1.828 -10.372 1.00 0.00 H new ATOM 0 HD23 LEU A 77 0.422 2.442 -11.381 1.00 0.00 H new ATOM 1245 N LYS A 78 4.363 1.000 -10.313 1.00 0.00 N ATOM 1246 CA LYS A 78 5.358 0.955 -11.379 1.00 0.00 C ATOM 1247 C LYS A 78 6.527 0.053 -10.994 1.00 0.00 C ATOM 1248 O LYS A 78 7.183 -0.530 -11.856 1.00 0.00 O ATOM 1249 CB LYS A 78 5.868 2.364 -11.688 1.00 0.00 C ATOM 1250 CG LYS A 78 6.991 2.394 -12.710 1.00 0.00 C ATOM 1251 CD LYS A 78 7.321 3.815 -13.136 1.00 0.00 C ATOM 1252 CE LYS A 78 7.881 4.628 -11.979 1.00 0.00 C ATOM 1253 NZ LYS A 78 8.788 5.711 -12.450 1.00 0.00 N ATOM 0 H LYS A 78 4.272 1.909 -9.860 1.00 0.00 H new ATOM 0 HA LYS A 78 4.882 0.544 -12.269 1.00 0.00 H new ATOM 0 HB2 LYS A 78 5.039 2.969 -12.054 1.00 0.00 H new ATOM 0 HB3 LYS A 78 6.216 2.826 -10.764 1.00 0.00 H new ATOM 0 HG2 LYS A 78 7.880 1.924 -12.289 1.00 0.00 H new ATOM 0 HG3 LYS A 78 6.704 1.809 -13.584 1.00 0.00 H new ATOM 0 HD2 LYS A 78 8.045 3.793 -13.951 1.00 0.00 H new ATOM 0 HD3 LYS A 78 6.423 4.298 -13.521 1.00 0.00 H new ATOM 0 HE2 LYS A 78 7.060 5.064 -11.410 1.00 0.00 H new ATOM 0 HE3 LYS A 78 8.424 3.969 -11.301 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 9.149 6.242 -11.632 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 9.586 5.294 -12.971 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 8.264 6.355 -13.077 1.00 0.00 H new ATOM 1267 N ASN A 79 6.781 -0.056 -9.694 1.00 0.00 N ATOM 1268 CA ASN A 79 7.870 -0.888 -9.195 1.00 0.00 C ATOM 1269 C ASN A 79 7.435 -2.346 -9.085 1.00 0.00 C ATOM 1270 O ASN A 79 8.090 -3.153 -8.424 1.00 0.00 O ATOM 1271 CB ASN A 79 8.344 -0.381 -7.832 1.00 0.00 C ATOM 1272 CG ASN A 79 9.402 0.698 -7.952 1.00 0.00 C ATOM 1273 OD1 ASN A 79 10.589 0.446 -7.744 1.00 0.00 O ATOM 1274 ND2 ASN A 79 8.975 1.910 -8.288 1.00 0.00 N ATOM 0 H ASN A 79 6.248 0.421 -8.967 1.00 0.00 H new ATOM 0 HA ASN A 79 8.695 -0.826 -9.905 1.00 0.00 H new ATOM 0 HB2 ASN A 79 7.492 0.010 -7.277 1.00 0.00 H new ATOM 0 HB3 ASN A 79 8.744 -1.216 -7.256 1.00 0.00 H new ATOM 0 HD21 ASN A 79 9.641 2.677 -8.383 1.00 0.00 H new ATOM 0 HD22 ASN A 79 7.982 2.074 -8.451 1.00 0.00 H new ATOM 1281 N HIS A 80 6.325 -2.678 -9.738 1.00 0.00 N ATOM 1282 CA HIS A 80 5.803 -4.039 -9.715 1.00 0.00 C ATOM 1283 C HIS A 80 5.569 -4.507 -8.281 1.00 0.00 C ATOM 1284 O HIS A 80 5.705 -5.692 -7.974 1.00 0.00 O ATOM 1285 CB HIS A 80 6.767 -4.991 -10.423 1.00 0.00 C ATOM 1286 CG HIS A 80 6.089 -6.158 -11.072 1.00 0.00 C ATOM 1287 ND1 HIS A 80 6.697 -6.946 -12.027 1.00 0.00 N ATOM 1288 CD2 HIS A 80 4.849 -6.670 -10.897 1.00 0.00 C ATOM 1289 CE1 HIS A 80 5.858 -7.891 -12.413 1.00 0.00 C ATOM 1290 NE2 HIS A 80 4.730 -7.747 -11.741 1.00 0.00 N ATOM 0 H HIS A 80 5.771 -2.023 -10.289 1.00 0.00 H new ATOM 0 HA HIS A 80 4.848 -4.044 -10.241 1.00 0.00 H new ATOM 0 HB2 HIS A 80 7.321 -4.436 -11.180 1.00 0.00 H new ATOM 0 HB3 HIS A 80 7.495 -5.360 -9.701 1.00 0.00 H new ATOM 0 HD2 HIS A 80 4.093 -6.301 -10.220 1.00 0.00 H new ATOM 0 HE1 HIS A 80 6.060 -8.652 -13.152 1.00 0.00 H new ATOM 0 HE2 HIS A 80 3.905 -8.339 -11.834 1.00 0.00 H new ATOM 1298 N VAL A 81 5.218 -3.569 -7.407 1.00 0.00 N ATOM 1299 CA VAL A 81 4.965 -3.885 -6.007 1.00 0.00 C ATOM 1300 C VAL A 81 3.510 -4.284 -5.787 1.00 0.00 C ATOM 1301 O VAL A 81 3.213 -5.167 -4.982 1.00 0.00 O ATOM 1302 CB VAL A 81 5.303 -2.693 -5.092 1.00 0.00 C ATOM 1303 CG1 VAL A 81 4.933 -3.004 -3.650 1.00 0.00 C ATOM 1304 CG2 VAL A 81 6.777 -2.334 -5.208 1.00 0.00 C ATOM 0 H VAL A 81 5.102 -2.584 -7.644 1.00 0.00 H new ATOM 0 HA VAL A 81 5.611 -4.725 -5.751 1.00 0.00 H new ATOM 0 HB VAL A 81 4.717 -1.833 -5.414 1.00 0.00 H new ATOM 0 HG11 VAL A 81 5.179 -2.150 -3.019 1.00 0.00 H new ATOM 0 HG12 VAL A 81 3.864 -3.207 -3.584 1.00 0.00 H new ATOM 0 HG13 VAL A 81 5.490 -3.878 -3.312 1.00 0.00 H new ATOM 0 HG21 VAL A 81 6.998 -1.490 -4.555 1.00 0.00 H new ATOM 0 HG22 VAL A 81 7.384 -3.190 -4.913 1.00 0.00 H new ATOM 0 HG23 VAL A 81 7.006 -2.065 -6.239 1.00 0.00 H new ATOM 1314 N ILE A 82 2.608 -3.628 -6.508 1.00 0.00 N ATOM 1315 CA ILE A 82 1.183 -3.915 -6.393 1.00 0.00 C ATOM 1316 C ILE A 82 0.501 -3.868 -7.756 1.00 0.00 C ATOM 1317 O ILE A 82 0.488 -2.831 -8.418 1.00 0.00 O ATOM 1318 CB ILE A 82 0.483 -2.922 -5.446 1.00 0.00 C ATOM 1319 CG1 ILE A 82 0.893 -1.487 -5.784 1.00 0.00 C ATOM 1320 CG2 ILE A 82 0.816 -3.247 -3.998 1.00 0.00 C ATOM 1321 CD1 ILE A 82 -0.131 -0.453 -5.369 1.00 0.00 C ATOM 0 H ILE A 82 2.838 -2.894 -7.178 1.00 0.00 H new ATOM 0 HA ILE A 82 1.096 -4.920 -5.981 1.00 0.00 H new ATOM 0 HB ILE A 82 -0.595 -3.013 -5.579 1.00 0.00 H new ATOM 0 HG12 ILE A 82 1.841 -1.264 -5.295 1.00 0.00 H new ATOM 0 HG13 ILE A 82 1.062 -1.409 -6.858 1.00 0.00 H new ATOM 0 HG21 ILE A 82 0.314 -2.537 -3.341 1.00 0.00 H new ATOM 0 HG22 ILE A 82 0.479 -4.257 -3.765 1.00 0.00 H new ATOM 0 HG23 ILE A 82 1.894 -3.180 -3.849 1.00 0.00 H new ATOM 0 HD11 ILE A 82 0.225 0.541 -5.639 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -1.075 -0.651 -5.878 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -0.283 -0.503 -4.291 1.00 0.00 H new ATOM 1333 N GLU A 83 -0.067 -4.997 -8.167 1.00 0.00 N ATOM 1334 CA GLU A 83 -0.752 -5.083 -9.451 1.00 0.00 C ATOM 1335 C GLU A 83 -2.258 -4.907 -9.277 1.00 0.00 C ATOM 1336 O GLU A 83 -2.819 -5.261 -8.240 1.00 0.00 O ATOM 1337 CB GLU A 83 -0.459 -6.427 -10.122 1.00 0.00 C ATOM 1338 CG GLU A 83 -1.538 -6.870 -11.095 1.00 0.00 C ATOM 1339 CD GLU A 83 -1.088 -8.011 -11.987 1.00 0.00 C ATOM 1340 OE1 GLU A 83 -0.047 -7.860 -12.661 1.00 0.00 O ATOM 1341 OE2 GLU A 83 -1.775 -9.053 -12.011 1.00 0.00 O ATOM 0 H GLU A 83 -0.066 -5.864 -7.630 1.00 0.00 H new ATOM 0 HA GLU A 83 -0.380 -4.279 -10.086 1.00 0.00 H new ATOM 0 HB2 GLU A 83 0.491 -6.359 -10.652 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -0.341 -7.190 -9.352 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -2.422 -7.178 -10.536 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -1.832 -6.023 -11.715 1.00 0.00 H new ATOM 1348 N ASP A 84 -2.905 -4.358 -10.299 1.00 0.00 N ATOM 1349 CA ASP A 84 -4.346 -4.135 -10.260 1.00 0.00 C ATOM 1350 C ASP A 84 -5.104 -5.442 -10.472 1.00 0.00 C ATOM 1351 O ASP A 84 -4.500 -6.495 -10.677 1.00 0.00 O ATOM 1352 CB ASP A 84 -4.755 -3.116 -11.325 1.00 0.00 C ATOM 1353 CG ASP A 84 -5.953 -2.287 -10.904 1.00 0.00 C ATOM 1354 OD1 ASP A 84 -7.091 -2.785 -11.031 1.00 0.00 O ATOM 1355 OD2 ASP A 84 -5.752 -1.142 -10.449 1.00 0.00 O ATOM 0 H ASP A 84 -2.455 -4.059 -11.164 1.00 0.00 H new ATOM 0 HA ASP A 84 -4.601 -3.743 -9.276 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -3.914 -2.454 -11.533 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -4.986 -3.638 -12.253 1.00 0.00 H new ATOM 1360 N ILE A 85 -6.430 -5.366 -10.418 1.00 0.00 N ATOM 1361 CA ILE A 85 -7.269 -6.543 -10.604 1.00 0.00 C ATOM 1362 C ILE A 85 -7.264 -6.998 -12.060 1.00 0.00 C ATOM 1363 O ILE A 85 -7.492 -8.171 -12.356 1.00 0.00 O ATOM 1364 CB ILE A 85 -8.722 -6.272 -10.168 1.00 0.00 C ATOM 1365 CG1 ILE A 85 -9.616 -7.458 -10.535 1.00 0.00 C ATOM 1366 CG2 ILE A 85 -9.238 -4.993 -10.810 1.00 0.00 C ATOM 1367 CD1 ILE A 85 -9.295 -8.719 -9.764 1.00 0.00 C ATOM 0 H ILE A 85 -6.945 -4.503 -10.247 1.00 0.00 H new ATOM 0 HA ILE A 85 -6.850 -7.331 -9.978 1.00 0.00 H new ATOM 0 HB ILE A 85 -8.744 -6.146 -9.086 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -10.656 -7.187 -10.356 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -9.518 -7.659 -11.602 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -10.265 -4.815 -10.492 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -8.613 -4.154 -10.503 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -9.206 -5.092 -11.895 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -9.968 -9.518 -10.076 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -8.265 -9.015 -9.962 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -9.420 -8.535 -8.697 1.00 0.00 H new ATOM 1379 N LYS A 86 -7.001 -6.062 -12.965 1.00 0.00 N ATOM 1380 CA LYS A 86 -6.962 -6.366 -14.391 1.00 0.00 C ATOM 1381 C LYS A 86 -5.596 -6.910 -14.794 1.00 0.00 C ATOM 1382 O LYS A 86 -5.499 -7.928 -15.478 1.00 0.00 O ATOM 1383 CB LYS A 86 -7.286 -5.113 -15.209 1.00 0.00 C ATOM 1384 CG LYS A 86 -8.761 -4.753 -15.211 1.00 0.00 C ATOM 1385 CD LYS A 86 -9.497 -5.421 -16.360 1.00 0.00 C ATOM 1386 CE LYS A 86 -9.279 -4.678 -17.669 1.00 0.00 C ATOM 1387 NZ LYS A 86 -9.981 -3.365 -17.685 1.00 0.00 N ATOM 0 H LYS A 86 -6.812 -5.086 -12.737 1.00 0.00 H new ATOM 0 HA LYS A 86 -7.712 -7.130 -14.595 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -6.716 -4.273 -14.812 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -6.956 -5.265 -16.237 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -9.211 -5.055 -14.265 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -8.872 -3.671 -15.286 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -9.154 -6.451 -16.463 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -10.563 -5.461 -16.136 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -8.212 -4.521 -17.824 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -9.635 -5.290 -18.498 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -10.070 -3.031 -18.666 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -10.928 -3.472 -17.268 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -9.436 -2.673 -17.132 1.00 0.00 H new ATOM 1401 N GLY A 87 -4.540 -6.225 -14.364 1.00 0.00 N ATOM 1402 CA GLY A 87 -3.193 -6.657 -14.689 1.00 0.00 C ATOM 1403 C GLY A 87 -2.330 -5.522 -15.205 1.00 0.00 C ATOM 1404 O GLY A 87 -1.647 -5.665 -16.219 1.00 0.00 O ATOM 0 H GLY A 87 -4.594 -5.379 -13.797 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -2.729 -7.088 -13.802 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -3.239 -7.445 -15.440 1.00 0.00 H new ATOM 1408 N ARG A 88 -2.360 -4.393 -14.505 1.00 0.00 N ATOM 1409 CA ARG A 88 -1.576 -3.228 -14.900 1.00 0.00 C ATOM 1410 C ARG A 88 -0.654 -2.785 -13.768 1.00 0.00 C ATOM 1411 O ARG A 88 -1.114 -2.304 -12.732 1.00 0.00 O ATOM 1412 CB ARG A 88 -2.500 -2.077 -15.300 1.00 0.00 C ATOM 1413 CG ARG A 88 -3.068 -2.211 -16.704 1.00 0.00 C ATOM 1414 CD ARG A 88 -2.166 -1.551 -17.735 1.00 0.00 C ATOM 1415 NE ARG A 88 -2.500 -1.960 -19.096 1.00 0.00 N ATOM 1416 CZ ARG A 88 -2.044 -3.072 -19.662 1.00 0.00 C ATOM 1417 NH1 ARG A 88 -1.241 -3.882 -18.987 1.00 0.00 N ATOM 1418 NH2 ARG A 88 -2.394 -3.376 -20.906 1.00 0.00 N ATOM 0 H ARG A 88 -2.918 -4.260 -13.662 1.00 0.00 H new ATOM 0 HA ARG A 88 -0.963 -3.507 -15.757 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -3.323 -2.019 -14.588 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -1.950 -1.139 -15.228 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -3.191 -3.266 -16.949 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -4.058 -1.757 -16.742 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -2.251 -0.468 -17.651 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -1.127 -1.806 -17.524 1.00 0.00 H new ATOM 0 HE ARG A 88 -3.117 -1.359 -19.642 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -0.972 -3.652 -18.030 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -0.892 -4.735 -19.424 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -3.013 -2.756 -21.428 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -2.044 -4.230 -21.340 1.00 0.00 H new ATOM 1432 N TRP A 89 0.647 -2.951 -13.974 1.00 0.00 N ATOM 1433 CA TRP A 89 1.634 -2.568 -12.970 1.00 0.00 C ATOM 1434 C TRP A 89 2.550 -1.469 -13.498 1.00 0.00 C ATOM 1435 O TRP A 89 2.964 -0.582 -12.754 1.00 0.00 O ATOM 1436 CB TRP A 89 2.464 -3.783 -12.551 1.00 0.00 C ATOM 1437 CG TRP A 89 3.415 -4.247 -13.612 1.00 0.00 C ATOM 1438 CD1 TRP A 89 3.114 -4.996 -14.714 1.00 0.00 C ATOM 1439 CD2 TRP A 89 4.823 -3.993 -13.671 1.00 0.00 C ATOM 1440 NE1 TRP A 89 4.249 -5.223 -15.453 1.00 0.00 N ATOM 1441 CE2 TRP A 89 5.311 -4.618 -14.835 1.00 0.00 C ATOM 1442 CE3 TRP A 89 5.719 -3.298 -12.854 1.00 0.00 C ATOM 1443 CZ2 TRP A 89 6.654 -4.568 -15.200 1.00 0.00 C ATOM 1444 CZ3 TRP A 89 7.051 -3.249 -13.217 1.00 0.00 C ATOM 1445 CH2 TRP A 89 7.509 -3.880 -14.382 1.00 0.00 C ATOM 0 H TRP A 89 1.043 -3.348 -14.826 1.00 0.00 H new ATOM 0 HA TRP A 89 1.100 -2.184 -12.101 1.00 0.00 H new ATOM 0 HB2 TRP A 89 3.027 -3.536 -11.651 1.00 0.00 H new ATOM 0 HB3 TRP A 89 1.792 -4.601 -12.292 1.00 0.00 H new ATOM 0 HD1 TRP A 89 2.128 -5.357 -14.967 1.00 0.00 H new ATOM 0 HE1 TRP A 89 4.294 -5.756 -16.322 1.00 0.00 H new ATOM 0 HE3 TRP A 89 5.376 -2.808 -11.955 1.00 0.00 H new ATOM 0 HZ2 TRP A 89 7.008 -5.055 -16.097 1.00 0.00 H new ATOM 0 HZ3 TRP A 89 7.752 -2.715 -12.592 1.00 0.00 H new ATOM 0 HH2 TRP A 89 8.556 -3.822 -14.639 1.00 0.00 H new ATOM 1456 N GLY A 90 2.862 -1.535 -14.789 1.00 0.00 N ATOM 1457 CA GLY A 90 3.727 -0.539 -15.394 1.00 0.00 C ATOM 1458 C GLY A 90 2.984 0.731 -15.758 1.00 0.00 C ATOM 1459 O GLY A 90 2.770 1.018 -16.936 1.00 0.00 O ATOM 0 H GLY A 90 2.531 -2.260 -15.426 1.00 0.00 H new ATOM 0 HA2 GLY A 90 4.536 -0.298 -14.704 1.00 0.00 H new ATOM 0 HA3 GLY A 90 4.186 -0.957 -16.290 1.00 0.00 H new ATOM 1463 N SER A 91 2.587 1.493 -14.744 1.00 0.00 N ATOM 1464 CA SER A 91 1.857 2.737 -14.963 1.00 0.00 C ATOM 1465 C SER A 91 1.899 3.618 -13.717 1.00 0.00 C ATOM 1466 O SER A 91 2.185 3.143 -12.619 1.00 0.00 O ATOM 1467 CB SER A 91 0.405 2.441 -15.344 1.00 0.00 C ATOM 1468 OG SER A 91 -0.203 1.576 -14.400 1.00 0.00 O ATOM 0 H SER A 91 2.758 1.271 -13.763 1.00 0.00 H new ATOM 0 HA SER A 91 2.338 3.272 -15.782 1.00 0.00 H new ATOM 0 HB2 SER A 91 -0.156 3.373 -15.402 1.00 0.00 H new ATOM 0 HB3 SER A 91 0.371 1.986 -16.334 1.00 0.00 H new ATOM 0 HG SER A 91 -1.131 1.403 -14.665 1.00 0.00 H new ATOM 1474 N GLU A 92 1.613 4.903 -13.899 1.00 0.00 N ATOM 1475 CA GLU A 92 1.619 5.850 -12.791 1.00 0.00 C ATOM 1476 C GLU A 92 0.232 6.453 -12.583 1.00 0.00 C ATOM 1477 O GLU A 92 0.085 7.489 -11.936 1.00 0.00 O ATOM 1478 CB GLU A 92 2.637 6.963 -13.047 1.00 0.00 C ATOM 1479 CG GLU A 92 2.248 7.895 -14.183 1.00 0.00 C ATOM 1480 CD GLU A 92 3.035 9.191 -14.169 1.00 0.00 C ATOM 1481 OE1 GLU A 92 4.265 9.142 -14.375 1.00 0.00 O ATOM 1482 OE2 GLU A 92 2.418 10.256 -13.951 1.00 0.00 O ATOM 0 H GLU A 92 1.374 5.312 -14.803 1.00 0.00 H new ATOM 0 HA GLU A 92 1.901 5.310 -11.887 1.00 0.00 H new ATOM 0 HB2 GLU A 92 2.761 7.547 -12.135 1.00 0.00 H new ATOM 0 HB3 GLU A 92 3.605 6.514 -13.272 1.00 0.00 H new ATOM 0 HG2 GLU A 92 2.407 7.388 -15.135 1.00 0.00 H new ATOM 0 HG3 GLU A 92 1.184 8.120 -14.115 1.00 0.00 H new ATOM 1489 N ASN A 93 -0.781 5.796 -13.138 1.00 0.00 N ATOM 1490 CA ASN A 93 -2.156 6.267 -13.015 1.00 0.00 C ATOM 1491 C ASN A 93 -2.900 5.496 -11.928 1.00 0.00 C ATOM 1492 O ASN A 93 -3.319 4.357 -12.136 1.00 0.00 O ATOM 1493 CB ASN A 93 -2.888 6.123 -14.350 1.00 0.00 C ATOM 1494 CG ASN A 93 -2.755 7.359 -15.219 1.00 0.00 C ATOM 1495 OD1 ASN A 93 -1.905 8.215 -14.973 1.00 0.00 O ATOM 1496 ND2 ASN A 93 -3.596 7.456 -16.242 1.00 0.00 N ATOM 0 H ASN A 93 -0.676 4.936 -13.677 1.00 0.00 H new ATOM 0 HA ASN A 93 -2.129 7.320 -12.735 1.00 0.00 H new ATOM 0 HB2 ASN A 93 -2.493 5.261 -14.887 1.00 0.00 H new ATOM 0 HB3 ASN A 93 -3.944 5.926 -14.163 1.00 0.00 H new ATOM 0 HD21 ASN A 93 -3.553 8.265 -16.862 1.00 0.00 H new ATOM 0 HD22 ASN A 93 -4.284 6.722 -16.408 1.00 0.00 H new ATOM 1503 N VAL A 94 -3.062 6.126 -10.769 1.00 0.00 N ATOM 1504 CA VAL A 94 -3.757 5.501 -9.650 1.00 0.00 C ATOM 1505 C VAL A 94 -4.578 6.523 -8.873 1.00 0.00 C ATOM 1506 O VAL A 94 -4.092 7.605 -8.545 1.00 0.00 O ATOM 1507 CB VAL A 94 -2.768 4.815 -8.688 1.00 0.00 C ATOM 1508 CG1 VAL A 94 -2.291 3.491 -9.267 1.00 0.00 C ATOM 1509 CG2 VAL A 94 -1.591 5.732 -8.391 1.00 0.00 C ATOM 0 H VAL A 94 -2.721 7.069 -10.580 1.00 0.00 H new ATOM 0 HA VAL A 94 -4.424 4.749 -10.072 1.00 0.00 H new ATOM 0 HB VAL A 94 -3.284 4.609 -7.750 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -1.593 3.021 -8.574 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -3.146 2.833 -9.423 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -1.792 3.669 -10.219 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -0.903 5.231 -7.710 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -1.073 5.971 -9.320 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -1.953 6.651 -7.930 1.00 0.00 H new ATOM 1519 N ASP A 95 -5.826 6.172 -8.581 1.00 0.00 N ATOM 1520 CA ASP A 95 -6.716 7.059 -7.840 1.00 0.00 C ATOM 1521 C ASP A 95 -7.225 6.382 -6.572 1.00 0.00 C ATOM 1522 O ASP A 95 -7.076 5.172 -6.400 1.00 0.00 O ATOM 1523 CB ASP A 95 -7.896 7.480 -8.717 1.00 0.00 C ATOM 1524 CG ASP A 95 -7.461 8.284 -9.927 1.00 0.00 C ATOM 1525 OD1 ASP A 95 -6.966 7.674 -10.898 1.00 0.00 O ATOM 1526 OD2 ASP A 95 -7.617 9.522 -9.903 1.00 0.00 O ATOM 0 H ASP A 95 -6.244 5.280 -8.846 1.00 0.00 H new ATOM 0 HA ASP A 95 -6.150 7.946 -7.555 1.00 0.00 H new ATOM 0 HB2 ASP A 95 -8.433 6.592 -9.049 1.00 0.00 H new ATOM 0 HB3 ASP A 95 -8.593 8.071 -8.123 1.00 0.00 H new ATOM 1531 N ASP A 96 -7.824 7.170 -5.686 1.00 0.00 N ATOM 1532 CA ASP A 96 -8.355 6.647 -4.433 1.00 0.00 C ATOM 1533 C ASP A 96 -9.736 6.035 -4.641 1.00 0.00 C ATOM 1534 O ASP A 96 -10.478 5.812 -3.685 1.00 0.00 O ATOM 1535 CB ASP A 96 -8.429 7.757 -3.383 1.00 0.00 C ATOM 1536 CG ASP A 96 -7.059 8.177 -2.887 1.00 0.00 C ATOM 1537 OD1 ASP A 96 -6.063 7.887 -3.581 1.00 0.00 O ATOM 1538 OD2 ASP A 96 -6.983 8.794 -1.804 1.00 0.00 O ATOM 0 H ASP A 96 -7.954 8.174 -5.813 1.00 0.00 H new ATOM 0 HA ASP A 96 -7.681 5.867 -4.079 1.00 0.00 H new ATOM 0 HB2 ASP A 96 -8.939 8.622 -3.808 1.00 0.00 H new ATOM 0 HB3 ASP A 96 -9.029 7.416 -2.539 1.00 0.00 H new ATOM 1543 N ASN A 97 -10.076 5.767 -5.898 1.00 0.00 N ATOM 1544 CA ASN A 97 -11.369 5.181 -6.232 1.00 0.00 C ATOM 1545 C ASN A 97 -11.504 3.783 -5.636 1.00 0.00 C ATOM 1546 O ASN A 97 -10.582 3.279 -4.996 1.00 0.00 O ATOM 1547 CB ASN A 97 -11.547 5.120 -7.751 1.00 0.00 C ATOM 1548 CG ASN A 97 -12.196 6.372 -8.308 1.00 0.00 C ATOM 1549 OD1 ASN A 97 -13.341 6.688 -7.984 1.00 0.00 O ATOM 1550 ND2 ASN A 97 -11.465 7.092 -9.151 1.00 0.00 N ATOM 0 H ASN A 97 -9.474 5.946 -6.702 1.00 0.00 H new ATOM 0 HA ASN A 97 -12.148 5.814 -5.806 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -10.575 4.978 -8.223 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -12.156 4.253 -8.008 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -11.848 7.945 -9.558 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -10.520 6.792 -9.391 1.00 0.00 H new ATOM 1557 N ASN A 98 -12.660 3.163 -5.852 1.00 0.00 N ATOM 1558 CA ASN A 98 -12.916 1.823 -5.336 1.00 0.00 C ATOM 1559 C ASN A 98 -12.220 0.769 -6.192 1.00 0.00 C ATOM 1560 O ASN A 98 -12.461 -0.428 -6.036 1.00 0.00 O ATOM 1561 CB ASN A 98 -14.420 1.550 -5.293 1.00 0.00 C ATOM 1562 CG ASN A 98 -15.141 2.087 -6.515 1.00 0.00 C ATOM 1563 OD1 ASN A 98 -14.708 1.656 -7.694 1.00 0.00 O flip ATOM 1564 ND2 ASN A 98 -16.075 2.881 -6.399 1.00 0.00 N flip ATOM 0 H ASN A 98 -13.433 3.567 -6.380 1.00 0.00 H new ATOM 0 HA ASN A 98 -12.514 1.767 -4.324 1.00 0.00 H new ATOM 0 HB2 ASN A 98 -14.589 0.476 -5.218 1.00 0.00 H new ATOM 0 HB3 ASN A 98 -14.843 2.003 -4.397 1.00 0.00 H new ATOM 0 HD21 ASN A 98 -16.374 3.185 -5.472 1.00 0.00 H new ATOM 0 HD22 ASN A 98 -16.550 3.235 -7.230 1.00 0.00 H new ATOM 1571 N GLN A 99 -11.355 1.223 -7.093 1.00 0.00 N ATOM 1572 CA GLN A 99 -10.625 0.318 -7.973 1.00 0.00 C ATOM 1573 C GLN A 99 -9.907 -0.761 -7.170 1.00 0.00 C ATOM 1574 O GLN A 99 -9.030 -0.466 -6.358 1.00 0.00 O ATOM 1575 CB GLN A 99 -9.615 1.098 -8.817 1.00 0.00 C ATOM 1576 CG GLN A 99 -10.246 2.191 -9.664 1.00 0.00 C ATOM 1577 CD GLN A 99 -9.281 2.776 -10.677 1.00 0.00 C ATOM 1578 OE1 GLN A 99 -8.076 2.527 -10.618 1.00 0.00 O ATOM 1579 NE2 GLN A 99 -9.805 3.558 -11.613 1.00 0.00 N ATOM 0 H GLN A 99 -11.143 2.211 -7.233 1.00 0.00 H new ATOM 0 HA GLN A 99 -11.345 -0.165 -8.634 1.00 0.00 H new ATOM 0 HB2 GLN A 99 -8.871 1.545 -8.157 1.00 0.00 H new ATOM 0 HB3 GLN A 99 -9.086 0.404 -9.470 1.00 0.00 H new ATOM 0 HG2 GLN A 99 -11.113 1.786 -10.186 1.00 0.00 H new ATOM 0 HG3 GLN A 99 -10.609 2.986 -9.013 1.00 0.00 H new ATOM 0 HE21 GLN A 99 -10.809 3.737 -11.624 1.00 0.00 H new ATOM 0 HE22 GLN A 99 -9.204 3.979 -12.321 1.00 0.00 H new ATOM 1588 N LEU A 100 -10.286 -2.014 -7.401 1.00 0.00 N ATOM 1589 CA LEU A 100 -9.679 -3.139 -6.698 1.00 0.00 C ATOM 1590 C LEU A 100 -8.208 -3.287 -7.076 1.00 0.00 C ATOM 1591 O LEU A 100 -7.793 -2.890 -8.165 1.00 0.00 O ATOM 1592 CB LEU A 100 -10.432 -4.431 -7.017 1.00 0.00 C ATOM 1593 CG LEU A 100 -11.850 -4.538 -6.453 1.00 0.00 C ATOM 1594 CD1 LEU A 100 -12.505 -5.836 -6.899 1.00 0.00 C ATOM 1595 CD2 LEU A 100 -11.828 -4.443 -4.935 1.00 0.00 C ATOM 0 H LEU A 100 -11.011 -2.276 -8.069 1.00 0.00 H new ATOM 0 HA LEU A 100 -9.742 -2.944 -5.627 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -10.484 -4.540 -8.100 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -9.848 -5.271 -6.640 1.00 0.00 H new ATOM 0 HG LEU A 100 -12.439 -3.707 -6.840 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -13.513 -5.895 -6.488 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -12.555 -5.863 -7.988 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -11.918 -6.682 -6.541 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -12.845 -4.521 -4.551 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -11.223 -5.254 -4.528 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -11.400 -3.486 -4.636 1.00 0.00 H new ATOM 1607 N PHE A 101 -7.425 -3.864 -6.170 1.00 0.00 N ATOM 1608 CA PHE A 101 -6.001 -4.067 -6.409 1.00 0.00 C ATOM 1609 C PHE A 101 -5.540 -5.407 -5.843 1.00 0.00 C ATOM 1610 O PHE A 101 -6.294 -6.094 -5.155 1.00 0.00 O ATOM 1611 CB PHE A 101 -5.191 -2.930 -5.783 1.00 0.00 C ATOM 1612 CG PHE A 101 -5.078 -1.718 -6.663 1.00 0.00 C ATOM 1613 CD1 PHE A 101 -6.033 -0.715 -6.609 1.00 0.00 C ATOM 1614 CD2 PHE A 101 -4.019 -1.583 -7.546 1.00 0.00 C ATOM 1615 CE1 PHE A 101 -5.932 0.401 -7.417 1.00 0.00 C ATOM 1616 CE2 PHE A 101 -3.913 -0.468 -8.356 1.00 0.00 C ATOM 1617 CZ PHE A 101 -4.871 0.524 -8.293 1.00 0.00 C ATOM 0 H PHE A 101 -7.753 -4.199 -5.264 1.00 0.00 H new ATOM 0 HA PHE A 101 -5.835 -4.072 -7.486 1.00 0.00 H new ATOM 0 HB2 PHE A 101 -5.654 -2.642 -4.839 1.00 0.00 H new ATOM 0 HB3 PHE A 101 -4.190 -3.294 -5.549 1.00 0.00 H new ATOM 0 HD1 PHE A 101 -6.866 -0.807 -5.927 1.00 0.00 H new ATOM 0 HD2 PHE A 101 -3.268 -2.357 -7.602 1.00 0.00 H new ATOM 0 HE1 PHE A 101 -6.682 1.176 -7.364 1.00 0.00 H new ATOM 0 HE2 PHE A 101 -3.081 -0.373 -9.038 1.00 0.00 H new ATOM 0 HZ PHE A 101 -4.791 1.394 -8.927 1.00 0.00 H new ATOM 1627 N ARG A 102 -4.297 -5.771 -6.140 1.00 0.00 N ATOM 1628 CA ARG A 102 -3.736 -7.029 -5.663 1.00 0.00 C ATOM 1629 C ARG A 102 -2.211 -7.001 -5.720 1.00 0.00 C ATOM 1630 O ARG A 102 -1.618 -6.074 -6.273 1.00 0.00 O ATOM 1631 CB ARG A 102 -4.266 -8.198 -6.496 1.00 0.00 C ATOM 1632 CG ARG A 102 -3.815 -8.165 -7.947 1.00 0.00 C ATOM 1633 CD ARG A 102 -4.575 -9.178 -8.790 1.00 0.00 C ATOM 1634 NE ARG A 102 -3.935 -10.490 -8.778 1.00 0.00 N ATOM 1635 CZ ARG A 102 -4.106 -11.382 -7.809 1.00 0.00 C ATOM 1636 NH1 ARG A 102 -4.894 -11.105 -6.779 1.00 0.00 N ATOM 1637 NH2 ARG A 102 -3.489 -12.555 -7.869 1.00 0.00 N ATOM 0 H ARG A 102 -3.660 -5.213 -6.708 1.00 0.00 H new ATOM 0 HA ARG A 102 -4.042 -7.163 -4.625 1.00 0.00 H new ATOM 0 HB2 ARG A 102 -3.938 -9.134 -6.044 1.00 0.00 H new ATOM 0 HB3 ARG A 102 -5.355 -8.192 -6.463 1.00 0.00 H new ATOM 0 HG2 ARG A 102 -3.966 -7.165 -8.354 1.00 0.00 H new ATOM 0 HG3 ARG A 102 -2.746 -8.373 -8.002 1.00 0.00 H new ATOM 0 HD2 ARG A 102 -5.595 -9.269 -8.416 1.00 0.00 H new ATOM 0 HD3 ARG A 102 -4.643 -8.817 -9.816 1.00 0.00 H new ATOM 0 HE ARG A 102 -3.323 -10.735 -9.556 1.00 0.00 H new ATOM 0 HH11 ARG A 102 -5.371 -10.205 -6.729 1.00 0.00 H new ATOM 0 HH12 ARG A 102 -5.023 -11.792 -6.036 1.00 0.00 H new ATOM 0 HH21 ARG A 102 -2.883 -12.772 -8.660 1.00 0.00 H new ATOM 0 HH22 ARG A 102 -3.621 -13.239 -7.124 1.00 0.00 H new ATOM 1651 N PHE A 103 -1.583 -8.021 -5.146 1.00 0.00 N ATOM 1652 CA PHE A 103 -0.128 -8.112 -5.130 1.00 0.00 C ATOM 1653 C PHE A 103 0.365 -9.126 -6.159 1.00 0.00 C ATOM 1654 O PHE A 103 -0.218 -10.195 -6.343 1.00 0.00 O ATOM 1655 CB PHE A 103 0.365 -8.504 -3.735 1.00 0.00 C ATOM 1656 CG PHE A 103 1.785 -8.098 -3.465 1.00 0.00 C ATOM 1657 CD1 PHE A 103 2.083 -6.817 -3.031 1.00 0.00 C ATOM 1658 CD2 PHE A 103 2.823 -8.998 -3.647 1.00 0.00 C ATOM 1659 CE1 PHE A 103 3.389 -6.440 -2.781 1.00 0.00 C ATOM 1660 CE2 PHE A 103 4.131 -8.627 -3.398 1.00 0.00 C ATOM 1661 CZ PHE A 103 4.415 -7.346 -2.966 1.00 0.00 C ATOM 0 H PHE A 103 -2.059 -8.797 -4.685 1.00 0.00 H new ATOM 0 HA PHE A 103 0.275 -7.133 -5.388 1.00 0.00 H new ATOM 0 HB2 PHE A 103 -0.283 -8.047 -2.988 1.00 0.00 H new ATOM 0 HB3 PHE A 103 0.276 -9.584 -3.617 1.00 0.00 H new ATOM 0 HD1 PHE A 103 1.285 -6.104 -2.886 1.00 0.00 H new ATOM 0 HD2 PHE A 103 2.608 -10.000 -3.987 1.00 0.00 H new ATOM 0 HE1 PHE A 103 3.607 -5.438 -2.441 1.00 0.00 H new ATOM 0 HE2 PHE A 103 4.931 -9.338 -3.541 1.00 0.00 H new ATOM 0 HZ PHE A 103 5.437 -7.054 -2.773 1.00 0.00 H new ATOM 1671 N PRO A 104 1.464 -8.783 -6.847 1.00 0.00 N ATOM 1672 CA PRO A 104 2.060 -9.649 -7.869 1.00 0.00 C ATOM 1673 C PRO A 104 2.704 -10.894 -7.270 1.00 0.00 C ATOM 1674 O PRO A 104 2.710 -11.078 -6.053 1.00 0.00 O ATOM 1675 CB PRO A 104 3.122 -8.755 -8.514 1.00 0.00 C ATOM 1676 CG PRO A 104 3.472 -7.761 -7.461 1.00 0.00 C ATOM 1677 CD PRO A 104 2.210 -7.525 -6.679 1.00 0.00 C ATOM 0 HA PRO A 104 1.315 -10.025 -8.571 1.00 0.00 H new ATOM 0 HB2 PRO A 104 3.995 -9.333 -8.818 1.00 0.00 H new ATOM 0 HB3 PRO A 104 2.737 -8.265 -9.408 1.00 0.00 H new ATOM 0 HG2 PRO A 104 4.266 -8.138 -6.816 1.00 0.00 H new ATOM 0 HG3 PRO A 104 3.835 -6.834 -7.905 1.00 0.00 H new ATOM 0 HD2 PRO A 104 2.420 -7.320 -5.629 1.00 0.00 H new ATOM 0 HD3 PRO A 104 1.652 -6.672 -7.065 1.00 0.00 H new ATOM 1685 N ALA A 105 3.246 -11.748 -8.132 1.00 0.00 N ATOM 1686 CA ALA A 105 3.895 -12.975 -7.688 1.00 0.00 C ATOM 1687 C ALA A 105 5.385 -12.752 -7.447 1.00 0.00 C ATOM 1688 O ALA A 105 5.871 -12.904 -6.326 1.00 0.00 O ATOM 1689 CB ALA A 105 3.683 -14.083 -8.708 1.00 0.00 C ATOM 0 H ALA A 105 3.248 -11.612 -9.143 1.00 0.00 H new ATOM 0 HA ALA A 105 3.442 -13.275 -6.743 1.00 0.00 H new ATOM 0 HB1 ALA A 105 4.173 -14.994 -8.363 1.00 0.00 H new ATOM 0 HB2 ALA A 105 2.616 -14.268 -8.827 1.00 0.00 H new ATOM 0 HB3 ALA A 105 4.108 -13.782 -9.666 1.00 0.00 H new