USER MOD reduce.3.24.130724 H: found=0, std=0, add=586, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 587 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 Single : A 30 GLN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 35 THR OG1 : rot 180:sc= -2.34! USER MOD Single : A 36 ASN : amide:sc= -0.149 K(o=-0.15,f=-1.6!) USER MOD Single : A 38 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 GLN : amide:sc= 0 K(o=0,f=-0.69) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot -39:sc= 0.00467 USER MOD Single : A 57 GLN : amide:sc= -1.72 K(o=-1.7,f=-3) USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 71 ASN : amide:sc= 0 X(o=0,f=0.49) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 81 THR OG1 : rot -90:sc= -0.172 USER MOD Single : A 82 GLN : amide:sc= -0.121 K(o=-0.12,f=-1.7) USER MOD Single : A 84 SER OG : rot 180:sc= -0.501 USER MOD Single : A 86 GLN : amide:sc= -0.278 X(o=-0.28,f=-0.22!) USER MOD Single : A 93 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 95 TYR OH : rot 180:sc= 0 USER MOD Single : A 98 GLN : amide:sc= -0.263 X(o=-0.26,f=-0.44) USER MOD Single : A 100 ASN : amide:sc= -0.676 K(o=-0.68,f=-2.1!) USER MOD Single : A 105 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 114 N GLN A 30 -8.522 4.001 -16.733 1.00 53.50 N ATOM 115 CA GLN A 30 -9.000 5.269 -17.274 1.00 32.44 C ATOM 116 C GLN A 30 -10.358 5.635 -16.683 1.00 4.13 C ATOM 117 O GLN A 30 -11.125 6.388 -17.283 1.00 4.33 O ATOM 118 CB GLN A 30 -9.098 5.192 -18.798 1.00 52.32 C ATOM 119 CG GLN A 30 -7.889 4.546 -19.454 1.00 23.10 C ATOM 120 CD GLN A 30 -7.972 4.553 -20.968 1.00 1.44 C ATOM 121 OE1 GLN A 30 -8.947 5.035 -21.545 1.00 0.31 O ATOM 122 NE2 GLN A 30 -6.947 4.018 -21.620 1.00 24.12 N ATOM 0 HA GLN A 30 -8.284 6.045 -17.002 1.00 32.44 H new ATOM 0 HB2 GLN A 30 -9.991 4.629 -19.068 1.00 52.32 H new ATOM 0 HB3 GLN A 30 -9.223 6.199 -19.197 1.00 52.32 H new ATOM 0 HG2 GLN A 30 -6.987 5.072 -19.141 1.00 23.10 H new ATOM 0 HG3 GLN A 30 -7.797 3.518 -19.104 1.00 23.10 H new ATOM 0 HE21 GLN A 30 -6.159 3.630 -21.101 1.00 24.12 H new ATOM 0 HE22 GLN A 30 -6.947 3.995 -22.640 1.00 24.12 H new ATOM 131 N VAL A 31 -10.649 5.097 -15.502 1.00 44.15 N ATOM 132 CA VAL A 31 -11.913 5.368 -14.830 1.00 14.03 C ATOM 133 C VAL A 31 -11.702 5.617 -13.341 1.00 5.13 C ATOM 134 O VAL A 31 -10.850 4.990 -12.710 1.00 41.23 O ATOM 135 CB VAL A 31 -12.905 4.203 -15.008 1.00 61.11 C ATOM 136 CG1 VAL A 31 -13.099 3.888 -16.483 1.00 54.25 C ATOM 137 CG2 VAL A 31 -12.424 2.974 -14.251 1.00 50.13 C ATOM 0 H VAL A 31 -10.026 4.471 -14.992 1.00 44.15 H new ATOM 0 HA VAL A 31 -12.329 6.264 -15.290 1.00 14.03 H new ATOM 0 HB VAL A 31 -13.868 4.502 -14.595 1.00 61.11 H new ATOM 0 HG11 VAL A 31 -13.803 3.063 -16.589 1.00 54.25 H new ATOM 0 HG12 VAL A 31 -13.491 4.767 -16.994 1.00 54.25 H new ATOM 0 HG13 VAL A 31 -12.142 3.608 -16.924 1.00 54.25 H new ATOM 0 HG21 VAL A 31 -13.137 2.161 -14.388 1.00 50.13 H new ATOM 0 HG22 VAL A 31 -11.449 2.670 -14.632 1.00 50.13 H new ATOM 0 HG23 VAL A 31 -12.341 3.209 -13.190 1.00 50.13 H new ATOM 147 N VAL A 32 -12.483 6.537 -12.783 1.00 64.10 N ATOM 148 CA VAL A 32 -12.382 6.868 -11.367 1.00 12.52 C ATOM 149 C VAL A 32 -13.723 6.687 -10.664 1.00 4.35 C ATOM 150 O VAL A 32 -14.782 6.834 -11.275 1.00 21.40 O ATOM 151 CB VAL A 32 -11.899 8.317 -11.162 1.00 72.33 C ATOM 152 CG1 VAL A 32 -10.639 8.579 -11.973 1.00 22.25 C ATOM 153 CG2 VAL A 32 -12.997 9.302 -11.535 1.00 61.40 C ATOM 0 H VAL A 32 -13.192 7.066 -13.290 1.00 64.10 H new ATOM 0 HA VAL A 32 -11.652 6.185 -10.933 1.00 12.52 H new ATOM 0 HB VAL A 32 -11.660 8.457 -10.108 1.00 72.33 H new ATOM 0 HG11 VAL A 32 -10.312 9.607 -11.816 1.00 22.25 H new ATOM 0 HG12 VAL A 32 -9.852 7.896 -11.654 1.00 22.25 H new ATOM 0 HG13 VAL A 32 -10.848 8.422 -13.031 1.00 22.25 H new ATOM 0 HG21 VAL A 32 -12.639 10.320 -11.384 1.00 61.40 H new ATOM 0 HG22 VAL A 32 -13.269 9.164 -12.581 1.00 61.40 H new ATOM 0 HG23 VAL A 32 -13.871 9.128 -10.907 1.00 61.40 H new ATOM 163 N LEU A 33 -13.670 6.369 -9.375 1.00 61.50 N ATOM 164 CA LEU A 33 -14.881 6.168 -8.586 1.00 63.44 C ATOM 165 C LEU A 33 -14.978 7.198 -7.466 1.00 23.44 C ATOM 166 O LEU A 33 -13.977 7.536 -6.832 1.00 74.20 O ATOM 167 CB LEU A 33 -14.902 4.755 -8.000 1.00 14.12 C ATOM 168 CG LEU A 33 -16.220 4.313 -7.363 1.00 12.14 C ATOM 169 CD1 LEU A 33 -16.294 2.796 -7.287 1.00 73.13 C ATOM 170 CD2 LEU A 33 -16.375 4.926 -5.978 1.00 71.23 C ATOM 0 H LEU A 33 -12.802 6.245 -8.854 1.00 61.50 H new ATOM 0 HA LEU A 33 -15.740 6.294 -9.245 1.00 63.44 H new ATOM 0 HB2 LEU A 33 -14.650 4.051 -8.793 1.00 14.12 H new ATOM 0 HB3 LEU A 33 -14.116 4.683 -7.248 1.00 14.12 H new ATOM 0 HG LEU A 33 -17.040 4.665 -7.989 1.00 12.14 H new ATOM 0 HD11 LEU A 33 -17.239 2.500 -6.831 1.00 73.13 H new ATOM 0 HD12 LEU A 33 -16.229 2.378 -8.291 1.00 73.13 H new ATOM 0 HD13 LEU A 33 -15.467 2.421 -6.684 1.00 73.13 H new ATOM 0 HD21 LEU A 33 -17.318 4.601 -5.540 1.00 71.23 H new ATOM 0 HD22 LEU A 33 -15.550 4.604 -5.343 1.00 71.23 H new ATOM 0 HD23 LEU A 33 -16.368 6.013 -6.058 1.00 71.23 H new ATOM 182 N ILE A 34 -16.188 7.691 -7.225 1.00 61.43 N ATOM 183 CA ILE A 34 -16.416 8.679 -6.179 1.00 5.15 C ATOM 184 C ILE A 34 -17.510 8.222 -5.220 1.00 3.44 C ATOM 185 O ILE A 34 -18.436 7.511 -5.610 1.00 14.42 O ATOM 186 CB ILE A 34 -16.805 10.046 -6.771 1.00 13.44 C ATOM 187 CG1 ILE A 34 -18.099 9.927 -7.579 1.00 20.42 C ATOM 188 CG2 ILE A 34 -15.680 10.588 -7.639 1.00 62.45 C ATOM 189 CD1 ILE A 34 -17.870 9.753 -9.064 1.00 22.42 C ATOM 0 H ILE A 34 -17.026 7.422 -7.741 1.00 61.43 H new ATOM 0 HA ILE A 34 -15.478 8.783 -5.633 1.00 5.15 H new ATOM 0 HB ILE A 34 -16.973 10.745 -5.952 1.00 13.44 H new ATOM 0 HG12 ILE A 34 -18.674 9.079 -7.206 1.00 20.42 H new ATOM 0 HG13 ILE A 34 -18.704 10.819 -7.415 1.00 20.42 H new ATOM 0 HG21 ILE A 34 -15.971 11.555 -8.050 1.00 62.45 H new ATOM 0 HG22 ILE A 34 -14.780 10.706 -7.036 1.00 62.45 H new ATOM 0 HG23 ILE A 34 -15.482 9.892 -8.454 1.00 62.45 H new ATOM 0 HD11 ILE A 34 -18.830 9.675 -9.574 1.00 22.42 H new ATOM 0 HD12 ILE A 34 -17.322 10.612 -9.451 1.00 22.42 H new ATOM 0 HD13 ILE A 34 -17.292 8.846 -9.239 1.00 22.42 H new ATOM 201 N THR A 35 -17.397 8.637 -3.961 1.00 54.14 N ATOM 202 CA THR A 35 -18.377 8.272 -2.946 1.00 21.30 C ATOM 203 C THR A 35 -18.633 9.429 -1.988 1.00 11.14 C ATOM 204 O THR A 35 -18.135 10.536 -2.189 1.00 24.43 O ATOM 205 CB THR A 35 -17.917 7.043 -2.138 1.00 51.42 C ATOM 206 OG1 THR A 35 -16.862 7.412 -1.244 1.00 4.44 O ATOM 207 CG2 THR A 35 -17.440 5.935 -3.064 1.00 24.31 C ATOM 0 H THR A 35 -16.637 9.226 -3.621 1.00 54.14 H new ATOM 0 HA THR A 35 -19.300 8.028 -3.471 1.00 21.30 H new ATOM 0 HB THR A 35 -18.767 6.674 -1.564 1.00 51.42 H new ATOM 0 HG1 THR A 35 -16.576 6.626 -0.733 1.00 4.44 H new ATOM 0 HG21 THR A 35 -17.120 5.078 -2.471 1.00 24.31 H new ATOM 0 HG22 THR A 35 -18.255 5.636 -3.724 1.00 24.31 H new ATOM 0 HG23 THR A 35 -16.603 6.295 -3.662 1.00 24.31 H new ATOM 215 N ASN A 36 -19.413 9.166 -0.944 1.00 73.33 N ATOM 216 CA ASN A 36 -19.736 10.187 0.046 1.00 25.41 C ATOM 217 C ASN A 36 -20.577 11.298 -0.573 1.00 13.42 C ATOM 218 O ASN A 36 -20.510 12.452 -0.147 1.00 33.25 O ATOM 219 CB ASN A 36 -18.453 10.773 0.640 1.00 13.04 C ATOM 220 CG ASN A 36 -18.541 10.949 2.144 1.00 10.40 C ATOM 221 OD1 ASN A 36 -19.625 10.890 2.725 1.00 42.40 O ATOM 222 ND2 ASN A 36 -17.397 11.168 2.782 1.00 62.43 N ATOM 0 H ASN A 36 -19.833 8.254 -0.762 1.00 73.33 H new ATOM 0 HA ASN A 36 -20.316 9.718 0.841 1.00 25.41 H new ATOM 0 HB2 ASN A 36 -17.614 10.119 0.402 1.00 13.04 H new ATOM 0 HB3 ASN A 36 -18.248 11.737 0.175 1.00 13.04 H new ATOM 0 HD21 ASN A 36 -17.394 11.295 3.794 1.00 62.43 H new ATOM 0 HD22 ASN A 36 -16.522 11.209 2.260 1.00 62.43 H new ATOM 229 N ILE A 37 -21.369 10.943 -1.579 1.00 41.21 N ATOM 230 CA ILE A 37 -22.225 11.910 -2.255 1.00 42.21 C ATOM 231 C ILE A 37 -23.675 11.770 -1.805 1.00 0.01 C ATOM 232 O ILE A 37 -24.193 10.661 -1.684 1.00 32.05 O ATOM 233 CB ILE A 37 -22.156 11.750 -3.785 1.00 73.33 C ATOM 234 CG1 ILE A 37 -22.422 10.296 -4.180 1.00 34.42 C ATOM 235 CG2 ILE A 37 -20.801 12.206 -4.306 1.00 34.15 C ATOM 236 CD1 ILE A 37 -22.621 10.099 -5.667 1.00 2.55 C ATOM 0 H ILE A 37 -21.436 9.993 -1.944 1.00 41.21 H new ATOM 0 HA ILE A 37 -21.857 12.900 -1.985 1.00 42.21 H new ATOM 0 HB ILE A 37 -22.926 12.377 -4.235 1.00 73.33 H new ATOM 0 HG12 ILE A 37 -21.586 9.680 -3.849 1.00 34.42 H new ATOM 0 HG13 ILE A 37 -23.308 9.941 -3.653 1.00 34.42 H new ATOM 0 HG21 ILE A 37 -20.769 12.086 -5.389 1.00 34.15 H new ATOM 0 HG22 ILE A 37 -20.648 13.255 -4.052 1.00 34.15 H new ATOM 0 HG23 ILE A 37 -20.015 11.604 -3.851 1.00 34.15 H new ATOM 0 HD11 ILE A 37 -22.805 9.045 -5.873 1.00 2.55 H new ATOM 0 HD12 ILE A 37 -23.475 10.688 -6.001 1.00 2.55 H new ATOM 0 HD13 ILE A 37 -21.727 10.422 -6.200 1.00 2.55 H new ATOM 248 N ASN A 38 -24.325 12.903 -1.560 1.00 50.22 N ATOM 249 CA ASN A 38 -25.717 12.907 -1.125 1.00 1.14 C ATOM 250 C ASN A 38 -26.658 12.697 -2.307 1.00 64.31 C ATOM 251 O ASN A 38 -26.619 13.423 -3.300 1.00 44.33 O ATOM 252 CB ASN A 38 -26.049 14.225 -0.422 1.00 54.01 C ATOM 253 CG ASN A 38 -26.486 14.020 1.016 1.00 61.33 C ATOM 254 OD1 ASN A 38 -27.664 13.796 1.292 1.00 35.13 O ATOM 255 ND2 ASN A 38 -25.535 14.096 1.939 1.00 23.42 N ATOM 0 H ASN A 38 -23.910 13.830 -1.655 1.00 50.22 H new ATOM 0 HA ASN A 38 -25.855 12.084 -0.424 1.00 1.14 H new ATOM 0 HB2 ASN A 38 -25.175 14.875 -0.444 1.00 54.01 H new ATOM 0 HB3 ASN A 38 -26.840 14.736 -0.970 1.00 54.01 H new ATOM 0 HD21 ASN A 38 -25.768 13.967 2.923 1.00 23.42 H new ATOM 0 HD22 ASN A 38 -24.571 14.284 1.664 1.00 23.42 H new ATOM 262 N PRO A 39 -27.525 11.679 -2.200 1.00 3.03 N ATOM 263 CA PRO A 39 -28.493 11.350 -3.250 1.00 21.31 C ATOM 264 C PRO A 39 -29.591 12.400 -3.376 1.00 42.43 C ATOM 265 O PRO A 39 -30.415 12.343 -4.289 1.00 24.15 O ATOM 266 CB PRO A 39 -29.081 10.015 -2.785 1.00 1.35 C ATOM 267 CG PRO A 39 -28.901 10.017 -1.306 1.00 13.44 C ATOM 268 CD PRO A 39 -27.627 10.772 -1.044 1.00 70.23 C ATOM 0 HA PRO A 39 -28.027 11.307 -4.234 1.00 21.31 H new ATOM 0 HB2 PRO A 39 -30.133 9.930 -3.056 1.00 1.35 H new ATOM 0 HB3 PRO A 39 -28.564 9.173 -3.246 1.00 1.35 H new ATOM 0 HG2 PRO A 39 -29.746 10.495 -0.811 1.00 13.44 H new ATOM 0 HG3 PRO A 39 -28.838 9.000 -0.919 1.00 13.44 H new ATOM 0 HD2 PRO A 39 -27.672 11.322 -0.104 1.00 70.23 H new ATOM 0 HD3 PRO A 39 -26.769 10.103 -0.981 1.00 70.23 H new ATOM 276 N GLU A 40 -29.595 13.359 -2.455 1.00 51.14 N ATOM 277 CA GLU A 40 -30.593 14.422 -2.465 1.00 40.32 C ATOM 278 C GLU A 40 -30.664 15.089 -3.836 1.00 74.21 C ATOM 279 O GLU A 40 -31.711 15.599 -4.237 1.00 45.20 O ATOM 280 CB GLU A 40 -30.269 15.466 -1.395 1.00 3.44 C ATOM 281 CG GLU A 40 -30.993 15.234 -0.079 1.00 44.20 C ATOM 282 CD GLU A 40 -31.108 16.496 0.754 1.00 51.01 C ATOM 283 OE1 GLU A 40 -30.675 17.565 0.274 1.00 73.33 O ATOM 284 OE2 GLU A 40 -31.631 16.415 1.885 1.00 3.30 O ATOM 0 H GLU A 40 -28.919 13.421 -1.694 1.00 51.14 H new ATOM 0 HA GLU A 40 -31.563 13.976 -2.246 1.00 40.32 H new ATOM 0 HB2 GLU A 40 -29.194 15.466 -1.214 1.00 3.44 H new ATOM 0 HB3 GLU A 40 -30.529 16.455 -1.774 1.00 3.44 H new ATOM 0 HG2 GLU A 40 -31.991 14.845 -0.281 1.00 44.20 H new ATOM 0 HG3 GLU A 40 -30.463 14.472 0.493 1.00 44.20 H new ATOM 291 N VAL A 41 -29.543 15.081 -4.551 1.00 35.34 N ATOM 292 CA VAL A 41 -29.478 15.683 -5.877 1.00 2.54 C ATOM 293 C VAL A 41 -29.723 14.645 -6.965 1.00 74.22 C ATOM 294 O VAL A 41 -29.166 13.547 -6.948 1.00 2.22 O ATOM 295 CB VAL A 41 -28.113 16.355 -6.121 1.00 71.51 C ATOM 296 CG1 VAL A 41 -26.985 15.347 -5.957 1.00 54.00 C ATOM 297 CG2 VAL A 41 -28.073 16.992 -7.502 1.00 31.22 C ATOM 0 H VAL A 41 -28.668 14.664 -4.234 1.00 35.34 H new ATOM 0 HA VAL A 41 -30.261 16.440 -5.920 1.00 2.54 H new ATOM 0 HB VAL A 41 -27.976 17.141 -5.379 1.00 71.51 H new ATOM 0 HG11 VAL A 41 -26.029 15.839 -6.133 1.00 54.00 H new ATOM 0 HG12 VAL A 41 -27.004 14.941 -4.945 1.00 54.00 H new ATOM 0 HG13 VAL A 41 -27.114 14.537 -6.675 1.00 54.00 H new ATOM 0 HG21 VAL A 41 -27.102 17.462 -7.658 1.00 31.22 H new ATOM 0 HG22 VAL A 41 -28.231 16.226 -8.261 1.00 31.22 H new ATOM 0 HG23 VAL A 41 -28.857 17.745 -7.578 1.00 31.22 H new ATOM 307 N PRO A 42 -30.578 14.997 -7.937 1.00 41.12 N ATOM 308 CA PRO A 42 -30.916 14.109 -9.054 1.00 15.54 C ATOM 309 C PRO A 42 -29.749 13.916 -10.015 1.00 40.33 C ATOM 310 O PRO A 42 -29.008 14.856 -10.305 1.00 63.32 O ATOM 311 CB PRO A 42 -32.068 14.839 -9.750 1.00 61.11 C ATOM 312 CG PRO A 42 -31.872 16.274 -9.403 1.00 41.42 C ATOM 313 CD PRO A 42 -31.279 16.289 -8.021 1.00 41.34 C ATOM 0 HA PRO A 42 -31.172 13.105 -8.714 1.00 15.54 H new ATOM 0 HB2 PRO A 42 -32.040 14.685 -10.829 1.00 61.11 H new ATOM 0 HB3 PRO A 42 -33.035 14.476 -9.401 1.00 61.11 H new ATOM 0 HG2 PRO A 42 -31.209 16.761 -10.118 1.00 41.42 H new ATOM 0 HG3 PRO A 42 -32.818 16.814 -9.427 1.00 41.42 H new ATOM 0 HD2 PRO A 42 -30.595 17.127 -7.886 1.00 41.34 H new ATOM 0 HD3 PRO A 42 -32.049 16.379 -7.254 1.00 41.34 H new ATOM 321 N LYS A 43 -29.591 12.693 -10.508 1.00 64.40 N ATOM 322 CA LYS A 43 -28.514 12.376 -11.439 1.00 72.51 C ATOM 323 C LYS A 43 -28.440 13.410 -12.558 1.00 33.31 C ATOM 324 O LYS A 43 -27.359 13.725 -13.053 1.00 3.14 O ATOM 325 CB LYS A 43 -28.720 10.980 -12.033 1.00 12.12 C ATOM 326 CG LYS A 43 -27.861 10.706 -13.255 1.00 52.42 C ATOM 327 CD LYS A 43 -28.679 10.758 -14.535 1.00 14.24 C ATOM 328 CE LYS A 43 -28.053 9.910 -15.631 1.00 53.53 C ATOM 329 NZ LYS A 43 -28.468 10.364 -16.988 1.00 22.02 N ATOM 0 H LYS A 43 -30.195 11.904 -10.278 1.00 64.40 H new ATOM 0 HA LYS A 43 -27.574 12.395 -10.888 1.00 72.51 H new ATOM 0 HB2 LYS A 43 -28.500 10.234 -11.270 1.00 12.12 H new ATOM 0 HB3 LYS A 43 -29.769 10.860 -12.303 1.00 12.12 H new ATOM 0 HG2 LYS A 43 -27.056 11.439 -13.307 1.00 52.42 H new ATOM 0 HG3 LYS A 43 -27.394 9.726 -13.160 1.00 52.42 H new ATOM 0 HD2 LYS A 43 -29.692 10.407 -14.336 1.00 14.24 H new ATOM 0 HD3 LYS A 43 -28.761 11.791 -14.874 1.00 14.24 H new ATOM 0 HE2 LYS A 43 -26.967 9.955 -15.549 1.00 53.53 H new ATOM 0 HE3 LYS A 43 -28.340 8.868 -15.493 1.00 53.53 H new ATOM 0 HZ1 LYS A 43 -28.021 9.761 -17.708 1.00 22.02 H new ATOM 0 HZ2 LYS A 43 -29.502 10.298 -17.075 1.00 22.02 H new ATOM 0 HZ3 LYS A 43 -28.171 11.351 -17.130 1.00 22.02 H new ATOM 343 N GLU A 44 -29.597 13.934 -12.950 1.00 51.33 N ATOM 344 CA GLU A 44 -29.662 14.933 -14.010 1.00 45.53 C ATOM 345 C GLU A 44 -28.675 16.068 -13.749 1.00 64.25 C ATOM 346 O GLU A 44 -27.828 16.375 -14.589 1.00 24.24 O ATOM 347 CB GLU A 44 -31.080 15.494 -14.128 1.00 14.14 C ATOM 348 CG GLU A 44 -31.347 16.206 -15.443 1.00 44.32 C ATOM 349 CD GLU A 44 -32.824 16.438 -15.693 1.00 33.05 C ATOM 350 OE1 GLU A 44 -33.517 16.898 -14.761 1.00 14.10 O ATOM 351 OE2 GLU A 44 -33.288 16.159 -16.818 1.00 45.31 O ATOM 0 H GLU A 44 -30.501 13.684 -12.550 1.00 51.33 H new ATOM 0 HA GLU A 44 -29.392 14.447 -14.948 1.00 45.53 H new ATOM 0 HB2 GLU A 44 -31.794 14.679 -14.015 1.00 14.14 H new ATOM 0 HB3 GLU A 44 -31.256 16.189 -13.307 1.00 14.14 H new ATOM 0 HG2 GLU A 44 -30.827 17.164 -15.445 1.00 44.32 H new ATOM 0 HG3 GLU A 44 -30.932 15.617 -16.261 1.00 44.32 H new ATOM 358 N LYS A 45 -28.791 16.688 -12.580 1.00 62.21 N ATOM 359 CA LYS A 45 -27.910 17.788 -12.206 1.00 21.10 C ATOM 360 C LYS A 45 -26.605 17.263 -11.616 1.00 44.44 C ATOM 361 O LYS A 45 -25.524 17.765 -11.929 1.00 52.53 O ATOM 362 CB LYS A 45 -28.605 18.705 -11.197 1.00 74.12 C ATOM 363 CG LYS A 45 -29.746 19.511 -11.794 1.00 33.23 C ATOM 364 CD LYS A 45 -30.892 19.669 -10.808 1.00 73.44 C ATOM 365 CE LYS A 45 -30.452 20.408 -9.555 1.00 4.24 C ATOM 366 NZ LYS A 45 -31.366 21.537 -9.226 1.00 61.21 N ATOM 0 H LYS A 45 -29.487 16.447 -11.874 1.00 62.21 H new ATOM 0 HA LYS A 45 -27.679 18.357 -13.106 1.00 21.10 H new ATOM 0 HB2 LYS A 45 -28.989 18.102 -10.374 1.00 74.12 H new ATOM 0 HB3 LYS A 45 -27.870 19.390 -10.774 1.00 74.12 H new ATOM 0 HG2 LYS A 45 -29.382 20.495 -12.091 1.00 33.23 H new ATOM 0 HG3 LYS A 45 -30.107 19.019 -12.697 1.00 33.23 H new ATOM 0 HD2 LYS A 45 -31.710 20.211 -11.283 1.00 73.44 H new ATOM 0 HD3 LYS A 45 -31.277 18.686 -10.536 1.00 73.44 H new ATOM 0 HE2 LYS A 45 -30.418 19.712 -8.716 1.00 4.24 H new ATOM 0 HE3 LYS A 45 -29.440 20.789 -9.695 1.00 4.24 H new ATOM 0 HZ1 LYS A 45 -31.031 22.015 -8.365 1.00 61.21 H new ATOM 0 HZ2 LYS A 45 -31.379 22.214 -10.015 1.00 61.21 H new ATOM 0 HZ3 LYS A 45 -32.327 21.171 -9.067 1.00 61.21 H new ATOM 380 N LEU A 46 -26.711 16.251 -10.763 1.00 61.55 N ATOM 381 CA LEU A 46 -25.538 15.656 -10.131 1.00 52.41 C ATOM 382 C LEU A 46 -24.499 15.260 -11.175 1.00 2.32 C ATOM 383 O LEU A 46 -23.322 15.598 -11.051 1.00 50.53 O ATOM 384 CB LEU A 46 -25.943 14.432 -9.308 1.00 13.40 C ATOM 385 CG LEU A 46 -25.027 13.213 -9.423 1.00 13.45 C ATOM 386 CD1 LEU A 46 -23.648 13.528 -8.865 1.00 21.01 C ATOM 387 CD2 LEU A 46 -25.636 12.019 -8.702 1.00 52.23 C ATOM 0 H LEU A 46 -27.597 15.825 -10.493 1.00 61.55 H new ATOM 0 HA LEU A 46 -25.096 16.401 -9.469 1.00 52.41 H new ATOM 0 HB2 LEU A 46 -25.995 14.725 -8.259 1.00 13.40 H new ATOM 0 HB3 LEU A 46 -26.949 14.135 -9.606 1.00 13.40 H new ATOM 0 HG LEU A 46 -24.921 12.960 -10.478 1.00 13.45 H new ATOM 0 HD11 LEU A 46 -23.010 12.649 -8.955 1.00 21.01 H new ATOM 0 HD12 LEU A 46 -23.209 14.354 -9.424 1.00 21.01 H new ATOM 0 HD13 LEU A 46 -23.735 13.807 -7.815 1.00 21.01 H new ATOM 0 HD21 LEU A 46 -24.971 11.160 -8.794 1.00 52.23 H new ATOM 0 HD22 LEU A 46 -25.772 12.261 -7.648 1.00 52.23 H new ATOM 0 HD23 LEU A 46 -26.602 11.779 -9.147 1.00 52.23 H new ATOM 399 N GLN A 47 -24.943 14.544 -12.202 1.00 61.24 N ATOM 400 CA GLN A 47 -24.051 14.103 -13.268 1.00 44.43 C ATOM 401 C GLN A 47 -23.458 15.297 -14.010 1.00 23.12 C ATOM 402 O GLN A 47 -22.247 15.371 -14.219 1.00 74.25 O ATOM 403 CB GLN A 47 -24.800 13.200 -14.249 1.00 32.22 C ATOM 404 CG GLN A 47 -23.916 12.625 -15.344 1.00 32.54 C ATOM 405 CD GLN A 47 -24.572 12.675 -16.710 1.00 22.34 C ATOM 406 OE1 GLN A 47 -25.526 11.945 -16.980 1.00 62.23 O ATOM 407 NE2 GLN A 47 -24.062 13.539 -17.580 1.00 34.14 N ATOM 0 H GLN A 47 -25.915 14.257 -12.319 1.00 61.24 H new ATOM 0 HA GLN A 47 -23.237 13.538 -12.815 1.00 44.43 H new ATOM 0 HB2 GLN A 47 -25.260 12.380 -13.697 1.00 32.22 H new ATOM 0 HB3 GLN A 47 -25.609 13.768 -14.708 1.00 32.22 H new ATOM 0 HG2 GLN A 47 -22.977 13.178 -15.376 1.00 32.54 H new ATOM 0 HG3 GLN A 47 -23.669 11.591 -15.101 1.00 32.54 H new ATOM 0 HE21 GLN A 47 -23.271 14.125 -17.313 1.00 34.14 H new ATOM 0 HE22 GLN A 47 -24.462 13.617 -18.515 1.00 34.14 H new ATOM 416 N ALA A 48 -24.319 16.229 -14.405 1.00 3.13 N ATOM 417 CA ALA A 48 -23.880 17.420 -15.121 1.00 43.04 C ATOM 418 C ALA A 48 -22.813 18.173 -14.333 1.00 71.04 C ATOM 419 O ALA A 48 -21.916 18.786 -14.913 1.00 2.51 O ATOM 420 CB ALA A 48 -25.065 18.329 -15.411 1.00 31.15 C ATOM 0 H ALA A 48 -25.325 16.182 -14.241 1.00 3.13 H new ATOM 0 HA ALA A 48 -23.440 17.103 -16.066 1.00 43.04 H new ATOM 0 HB1 ALA A 48 -24.722 19.214 -15.946 1.00 31.15 H new ATOM 0 HB2 ALA A 48 -25.792 17.795 -16.022 1.00 31.15 H new ATOM 0 HB3 ALA A 48 -25.531 18.630 -14.473 1.00 31.15 H new ATOM 426 N LEU A 49 -22.917 18.123 -13.010 1.00 43.30 N ATOM 427 CA LEU A 49 -21.961 18.802 -12.142 1.00 23.23 C ATOM 428 C LEU A 49 -20.613 18.087 -12.151 1.00 75.44 C ATOM 429 O LEU A 49 -19.570 18.708 -12.359 1.00 72.44 O ATOM 430 CB LEU A 49 -22.502 18.875 -10.713 1.00 20.31 C ATOM 431 CG LEU A 49 -22.728 20.279 -10.152 1.00 35.02 C ATOM 432 CD1 LEU A 49 -21.474 21.125 -10.308 1.00 32.34 C ATOM 433 CD2 LEU A 49 -23.911 20.944 -10.840 1.00 53.14 C ATOM 0 H LEU A 49 -23.653 17.620 -12.515 1.00 43.30 H new ATOM 0 HA LEU A 49 -21.818 19.813 -12.522 1.00 23.23 H new ATOM 0 HB2 LEU A 49 -23.448 18.334 -10.676 1.00 20.31 H new ATOM 0 HB3 LEU A 49 -21.808 18.350 -10.056 1.00 20.31 H new ATOM 0 HG LEU A 49 -22.953 20.193 -9.089 1.00 35.02 H new ATOM 0 HD11 LEU A 49 -21.654 22.121 -9.903 1.00 32.34 H new ATOM 0 HD12 LEU A 49 -20.650 20.657 -9.769 1.00 32.34 H new ATOM 0 HD13 LEU A 49 -21.217 21.204 -11.364 1.00 32.34 H new ATOM 0 HD21 LEU A 49 -24.057 21.943 -10.428 1.00 53.14 H new ATOM 0 HD22 LEU A 49 -23.715 21.018 -11.910 1.00 53.14 H new ATOM 0 HD23 LEU A 49 -24.809 20.349 -10.676 1.00 53.14 H new ATOM 445 N LEU A 50 -20.643 16.778 -11.927 1.00 61.43 N ATOM 446 CA LEU A 50 -19.424 15.976 -11.912 1.00 40.24 C ATOM 447 C LEU A 50 -18.639 16.155 -13.208 1.00 73.42 C ATOM 448 O LEU A 50 -17.416 16.014 -13.229 1.00 52.54 O ATOM 449 CB LEU A 50 -19.764 14.499 -11.708 1.00 22.12 C ATOM 450 CG LEU A 50 -20.384 14.133 -10.359 1.00 3.44 C ATOM 451 CD1 LEU A 50 -20.745 12.657 -10.320 1.00 34.31 C ATOM 452 CD2 LEU A 50 -19.433 14.481 -9.223 1.00 4.41 C ATOM 0 H LEU A 50 -21.498 16.249 -11.753 1.00 61.43 H new ATOM 0 HA LEU A 50 -18.804 16.317 -11.083 1.00 40.24 H new ATOM 0 HB2 LEU A 50 -20.452 14.193 -12.496 1.00 22.12 H new ATOM 0 HB3 LEU A 50 -18.852 13.916 -11.836 1.00 22.12 H new ATOM 0 HG LEU A 50 -21.298 14.713 -10.232 1.00 3.44 H new ATOM 0 HD11 LEU A 50 -21.185 12.415 -9.352 1.00 34.31 H new ATOM 0 HD12 LEU A 50 -21.463 12.437 -11.110 1.00 34.31 H new ATOM 0 HD13 LEU A 50 -19.846 12.059 -10.470 1.00 34.31 H new ATOM 0 HD21 LEU A 50 -19.891 14.214 -8.271 1.00 4.41 H new ATOM 0 HD22 LEU A 50 -18.502 13.928 -9.346 1.00 4.41 H new ATOM 0 HD23 LEU A 50 -19.225 15.551 -9.238 1.00 4.41 H new ATOM 464 N TYR A 51 -19.350 16.466 -14.286 1.00 13.20 N ATOM 465 CA TYR A 51 -18.721 16.664 -15.586 1.00 64.22 C ATOM 466 C TYR A 51 -17.960 17.986 -15.628 1.00 23.53 C ATOM 467 O TYR A 51 -16.820 18.044 -16.088 1.00 51.24 O ATOM 468 CB TYR A 51 -19.773 16.633 -16.696 1.00 1.22 C ATOM 469 CG TYR A 51 -19.189 16.457 -18.079 1.00 60.33 C ATOM 470 CD1 TYR A 51 -18.380 17.435 -18.644 1.00 21.04 C ATOM 471 CD2 TYR A 51 -19.446 15.311 -18.822 1.00 21.41 C ATOM 472 CE1 TYR A 51 -17.845 17.278 -19.908 1.00 11.04 C ATOM 473 CE2 TYR A 51 -18.914 15.144 -20.086 1.00 51.41 C ATOM 474 CZ TYR A 51 -18.115 16.131 -20.625 1.00 2.13 C ATOM 475 OH TYR A 51 -17.583 15.970 -21.884 1.00 2.35 O ATOM 0 H TYR A 51 -20.363 16.586 -14.285 1.00 13.20 H new ATOM 0 HA TYR A 51 -18.011 15.852 -15.745 1.00 64.22 H new ATOM 0 HB2 TYR A 51 -20.472 15.820 -16.500 1.00 1.22 H new ATOM 0 HB3 TYR A 51 -20.346 17.560 -16.668 1.00 1.22 H new ATOM 0 HD1 TYR A 51 -18.166 18.334 -18.085 1.00 21.04 H new ATOM 0 HD2 TYR A 51 -20.073 14.537 -18.404 1.00 21.41 H new ATOM 0 HE1 TYR A 51 -17.219 18.049 -20.332 1.00 11.04 H new ATOM 0 HE2 TYR A 51 -19.122 14.246 -20.649 1.00 51.41 H new ATOM 0 HH TYR A 51 -17.869 15.108 -22.252 1.00 2.35 H new ATOM 485 N ALA A 52 -18.599 19.044 -15.142 1.00 53.41 N ATOM 486 CA ALA A 52 -17.983 20.365 -15.121 1.00 14.35 C ATOM 487 C ALA A 52 -16.603 20.317 -14.474 1.00 12.01 C ATOM 488 O ALA A 52 -15.614 20.751 -15.065 1.00 64.23 O ATOM 489 CB ALA A 52 -18.878 21.353 -14.386 1.00 71.13 C ATOM 0 H ALA A 52 -19.543 19.013 -14.757 1.00 53.41 H new ATOM 0 HA ALA A 52 -17.861 20.698 -16.152 1.00 14.35 H new ATOM 0 HB1 ALA A 52 -18.406 22.335 -14.378 1.00 71.13 H new ATOM 0 HB2 ALA A 52 -19.841 21.418 -14.892 1.00 71.13 H new ATOM 0 HB3 ALA A 52 -19.029 21.014 -13.361 1.00 71.13 H new ATOM 495 N LEU A 53 -16.544 19.788 -13.257 1.00 24.21 N ATOM 496 CA LEU A 53 -15.284 19.683 -12.529 1.00 3.41 C ATOM 497 C LEU A 53 -14.292 18.801 -13.280 1.00 51.03 C ATOM 498 O LEU A 53 -13.106 19.117 -13.366 1.00 22.13 O ATOM 499 CB LEU A 53 -15.527 19.119 -11.128 1.00 64.21 C ATOM 500 CG LEU A 53 -16.649 19.777 -10.324 1.00 44.04 C ATOM 501 CD1 LEU A 53 -16.886 19.025 -9.024 1.00 4.11 C ATOM 502 CD2 LEU A 53 -16.320 21.237 -10.047 1.00 31.45 C ATOM 0 H LEU A 53 -17.353 19.425 -12.754 1.00 24.21 H new ATOM 0 HA LEU A 53 -14.859 20.683 -12.443 1.00 3.41 H new ATOM 0 HB2 LEU A 53 -15.749 18.056 -11.220 1.00 64.21 H new ATOM 0 HB3 LEU A 53 -14.601 19.204 -10.559 1.00 64.21 H new ATOM 0 HG LEU A 53 -17.565 19.737 -10.914 1.00 44.04 H new ATOM 0 HD11 LEU A 53 -17.688 19.508 -8.465 1.00 4.11 H new ATOM 0 HD12 LEU A 53 -17.167 17.995 -9.245 1.00 4.11 H new ATOM 0 HD13 LEU A 53 -15.973 19.032 -8.428 1.00 4.11 H new ATOM 0 HD21 LEU A 53 -17.129 21.690 -9.474 1.00 31.45 H new ATOM 0 HD22 LEU A 53 -15.393 21.299 -9.477 1.00 31.45 H new ATOM 0 HD23 LEU A 53 -16.202 21.769 -10.991 1.00 31.45 H new ATOM 514 N ALA A 54 -14.787 17.695 -13.825 1.00 73.43 N ATOM 515 CA ALA A 54 -13.946 16.769 -14.573 1.00 61.13 C ATOM 516 C ALA A 54 -13.294 17.461 -15.765 1.00 64.35 C ATOM 517 O ALA A 54 -12.082 17.370 -15.961 1.00 63.12 O ATOM 518 CB ALA A 54 -14.762 15.571 -15.037 1.00 43.32 C ATOM 0 H ALA A 54 -15.767 17.418 -13.762 1.00 73.43 H new ATOM 0 HA ALA A 54 -13.154 16.420 -13.910 1.00 61.13 H new ATOM 0 HB1 ALA A 54 -14.121 14.888 -15.594 1.00 43.32 H new ATOM 0 HB2 ALA A 54 -15.176 15.055 -14.171 1.00 43.32 H new ATOM 0 HB3 ALA A 54 -15.575 15.911 -15.679 1.00 43.32 H new ATOM 524 N SER A 55 -14.105 18.151 -16.560 1.00 12.31 N ATOM 525 CA SER A 55 -13.607 18.855 -17.736 1.00 12.00 C ATOM 526 C SER A 55 -12.559 19.892 -17.345 1.00 11.50 C ATOM 527 O SER A 55 -11.652 20.197 -18.120 1.00 14.54 O ATOM 528 CB SER A 55 -14.761 19.533 -18.477 1.00 41.32 C ATOM 529 OG SER A 55 -14.278 20.390 -19.497 1.00 50.42 O ATOM 0 H SER A 55 -15.110 18.238 -16.411 1.00 12.31 H new ATOM 0 HA SER A 55 -13.140 18.124 -18.396 1.00 12.00 H new ATOM 0 HB2 SER A 55 -15.413 18.776 -18.912 1.00 41.32 H new ATOM 0 HB3 SER A 55 -15.364 20.105 -17.772 1.00 41.32 H new ATOM 0 HG SER A 55 -15.035 20.810 -19.957 1.00 50.42 H new ATOM 535 N SER A 56 -12.691 20.431 -16.137 1.00 41.41 N ATOM 536 CA SER A 56 -11.758 21.438 -15.643 1.00 73.31 C ATOM 537 C SER A 56 -10.344 20.871 -15.555 1.00 53.44 C ATOM 538 O SER A 56 -9.369 21.619 -15.483 1.00 32.42 O ATOM 539 CB SER A 56 -12.203 21.945 -14.270 1.00 2.10 C ATOM 540 OG SER A 56 -11.590 23.185 -13.961 1.00 64.24 O ATOM 0 H SER A 56 -13.434 20.188 -15.482 1.00 41.41 H new ATOM 0 HA SER A 56 -11.754 22.271 -16.346 1.00 73.31 H new ATOM 0 HB2 SER A 56 -13.287 22.058 -14.254 1.00 2.10 H new ATOM 0 HB3 SER A 56 -11.948 21.210 -13.507 1.00 2.10 H new ATOM 0 HG SER A 56 -10.662 23.178 -14.276 1.00 64.24 H new ATOM 546 N GLN A 57 -10.243 19.546 -15.563 1.00 1.22 N ATOM 547 CA GLN A 57 -8.949 18.879 -15.483 1.00 43.23 C ATOM 548 C GLN A 57 -8.673 18.073 -16.748 1.00 40.44 C ATOM 549 O GLN A 57 -7.867 18.473 -17.588 1.00 11.14 O ATOM 550 CB GLN A 57 -8.898 17.963 -14.260 1.00 21.25 C ATOM 551 CG GLN A 57 -9.056 18.701 -12.940 1.00 22.31 C ATOM 552 CD GLN A 57 -7.762 19.332 -12.466 1.00 24.34 C ATOM 553 OE1 GLN A 57 -6.706 18.697 -12.480 1.00 53.43 O ATOM 554 NE2 GLN A 57 -7.836 20.588 -12.041 1.00 62.15 N ATOM 0 H GLN A 57 -11.041 18.914 -15.624 1.00 1.22 H new ATOM 0 HA GLN A 57 -8.180 19.645 -15.387 1.00 43.23 H new ATOM 0 HB2 GLN A 57 -9.685 17.214 -14.344 1.00 21.25 H new ATOM 0 HB3 GLN A 57 -7.948 17.428 -14.256 1.00 21.25 H new ATOM 0 HG2 GLN A 57 -9.815 19.476 -13.050 1.00 22.31 H new ATOM 0 HG3 GLN A 57 -9.417 18.007 -12.181 1.00 22.31 H new ATOM 0 HE21 GLN A 57 -8.731 21.076 -12.047 1.00 62.15 H new ATOM 0 HE22 GLN A 57 -6.997 21.064 -11.709 1.00 62.15 H new ATOM 563 N GLY A 58 -9.348 16.935 -16.878 1.00 50.24 N ATOM 564 CA GLY A 58 -9.161 16.091 -18.044 1.00 33.11 C ATOM 565 C GLY A 58 -10.447 15.878 -18.818 1.00 32.14 C ATOM 566 O GLY A 58 -11.531 16.212 -18.338 1.00 22.31 O ATOM 0 H GLY A 58 -10.021 16.583 -16.197 1.00 50.24 H new ATOM 0 HA2 GLY A 58 -8.416 16.542 -18.700 1.00 33.11 H new ATOM 0 HA3 GLY A 58 -8.765 15.125 -17.730 1.00 33.11 H new ATOM 570 N ASP A 59 -10.328 15.322 -20.018 1.00 51.43 N ATOM 571 CA ASP A 59 -11.490 15.066 -20.861 1.00 34.11 C ATOM 572 C ASP A 59 -12.292 13.879 -20.335 1.00 3.24 C ATOM 573 O ASP A 59 -11.724 12.902 -19.846 1.00 64.13 O ATOM 574 CB ASP A 59 -11.054 14.803 -22.303 1.00 3.01 C ATOM 575 CG ASP A 59 -10.434 16.025 -22.952 1.00 22.11 C ATOM 576 OD1 ASP A 59 -10.224 17.031 -22.243 1.00 32.13 O ATOM 577 OD2 ASP A 59 -10.159 15.975 -24.169 1.00 51.54 O ATOM 0 H ASP A 59 -9.438 15.040 -20.429 1.00 51.43 H new ATOM 0 HA ASP A 59 -12.126 15.951 -20.838 1.00 34.11 H new ATOM 0 HB2 ASP A 59 -10.336 13.983 -22.319 1.00 3.01 H new ATOM 0 HB3 ASP A 59 -11.916 14.483 -22.888 1.00 3.01 H new ATOM 582 N ILE A 60 -13.613 13.972 -20.437 1.00 12.34 N ATOM 583 CA ILE A 60 -14.492 12.907 -19.971 1.00 22.50 C ATOM 584 C ILE A 60 -15.094 12.139 -21.143 1.00 64.30 C ATOM 585 O ILE A 60 -15.512 12.731 -22.139 1.00 3.33 O ATOM 586 CB ILE A 60 -15.631 13.459 -19.094 1.00 73.14 C ATOM 587 CG1 ILE A 60 -15.061 14.279 -17.935 1.00 61.14 C ATOM 588 CG2 ILE A 60 -16.496 12.322 -18.571 1.00 23.32 C ATOM 589 CD1 ILE A 60 -14.992 15.763 -18.221 1.00 74.23 C ATOM 0 H ILE A 60 -14.098 14.774 -20.838 1.00 12.34 H new ATOM 0 HA ILE A 60 -13.880 12.232 -19.373 1.00 22.50 H new ATOM 0 HB ILE A 60 -16.255 14.113 -19.704 1.00 73.14 H new ATOM 0 HG12 ILE A 60 -15.675 14.116 -17.049 1.00 61.14 H new ATOM 0 HG13 ILE A 60 -14.060 13.915 -17.701 1.00 61.14 H new ATOM 0 HG21 ILE A 60 -17.297 12.728 -17.953 1.00 23.32 H new ATOM 0 HG22 ILE A 60 -16.927 11.777 -19.411 1.00 23.32 H new ATOM 0 HG23 ILE A 60 -15.885 11.645 -17.974 1.00 23.32 H new ATOM 0 HD11 ILE A 60 -14.578 16.281 -17.356 1.00 74.23 H new ATOM 0 HD12 ILE A 60 -14.354 15.937 -19.088 1.00 74.23 H new ATOM 0 HD13 ILE A 60 -15.994 16.141 -18.426 1.00 74.23 H new ATOM 601 N LEU A 61 -15.136 10.817 -21.018 1.00 32.04 N ATOM 602 CA LEU A 61 -15.689 9.966 -22.066 1.00 12.41 C ATOM 603 C LEU A 61 -17.103 9.516 -21.713 1.00 12.43 C ATOM 604 O LEU A 61 -17.989 9.491 -22.567 1.00 50.43 O ATOM 605 CB LEU A 61 -14.793 8.746 -22.285 1.00 53.15 C ATOM 606 CG LEU A 61 -13.287 9.007 -22.263 1.00 62.14 C ATOM 607 CD1 LEU A 61 -12.523 7.760 -22.683 1.00 51.41 C ATOM 608 CD2 LEU A 61 -12.935 10.180 -23.167 1.00 72.53 C ATOM 0 H LEU A 61 -14.794 10.311 -20.201 1.00 32.04 H new ATOM 0 HA LEU A 61 -15.732 10.548 -22.987 1.00 12.41 H new ATOM 0 HB2 LEU A 61 -15.025 8.008 -21.518 1.00 53.15 H new ATOM 0 HB3 LEU A 61 -15.050 8.299 -23.245 1.00 53.15 H new ATOM 0 HG LEU A 61 -12.997 9.260 -21.243 1.00 62.14 H new ATOM 0 HD11 LEU A 61 -11.453 7.965 -22.661 1.00 51.41 H new ATOM 0 HD12 LEU A 61 -12.751 6.945 -21.996 1.00 51.41 H new ATOM 0 HD13 LEU A 61 -12.818 7.476 -23.693 1.00 51.41 H new ATOM 0 HD21 LEU A 61 -11.859 10.351 -23.139 1.00 72.53 H new ATOM 0 HD22 LEU A 61 -13.240 9.956 -24.189 1.00 72.53 H new ATOM 0 HD23 LEU A 61 -13.454 11.074 -22.821 1.00 72.53 H new ATOM 620 N ASP A 62 -17.308 9.164 -20.448 1.00 63.14 N ATOM 621 CA ASP A 62 -18.615 8.718 -19.981 1.00 10.12 C ATOM 622 C ASP A 62 -18.699 8.784 -18.459 1.00 55.31 C ATOM 623 O ASP A 62 -17.912 8.151 -17.756 1.00 5.01 O ATOM 624 CB ASP A 62 -18.892 7.291 -20.458 1.00 3.43 C ATOM 625 CG ASP A 62 -17.620 6.487 -20.644 1.00 75.35 C ATOM 626 OD1 ASP A 62 -16.910 6.722 -21.645 1.00 12.24 O ATOM 627 OD2 ASP A 62 -17.335 5.622 -19.790 1.00 74.01 O ATOM 0 H ASP A 62 -16.586 9.179 -19.728 1.00 63.14 H new ATOM 0 HA ASP A 62 -19.370 9.385 -20.398 1.00 10.12 H new ATOM 0 HB2 ASP A 62 -19.535 6.788 -19.736 1.00 3.43 H new ATOM 0 HB3 ASP A 62 -19.438 7.325 -21.401 1.00 3.43 H new ATOM 632 N ILE A 63 -19.659 9.555 -17.958 1.00 3.11 N ATOM 633 CA ILE A 63 -19.845 9.704 -16.520 1.00 35.30 C ATOM 634 C ILE A 63 -20.988 8.826 -16.020 1.00 62.34 C ATOM 635 O ILE A 63 -22.155 9.074 -16.324 1.00 2.33 O ATOM 636 CB ILE A 63 -20.133 11.168 -16.138 1.00 32.41 C ATOM 637 CG1 ILE A 63 -18.987 12.072 -16.596 1.00 71.21 C ATOM 638 CG2 ILE A 63 -20.345 11.291 -14.636 1.00 41.44 C ATOM 639 CD1 ILE A 63 -19.162 13.520 -16.194 1.00 71.35 C ATOM 0 H ILE A 63 -20.319 10.086 -18.526 1.00 3.11 H new ATOM 0 HA ILE A 63 -18.914 9.390 -16.047 1.00 35.30 H new ATOM 0 HB ILE A 63 -21.046 11.487 -16.641 1.00 32.41 H new ATOM 0 HG12 ILE A 63 -18.052 11.698 -16.180 1.00 71.21 H new ATOM 0 HG13 ILE A 63 -18.899 12.013 -17.681 1.00 71.21 H new ATOM 0 HG21 ILE A 63 -20.547 12.331 -14.381 1.00 41.44 H new ATOM 0 HG22 ILE A 63 -21.191 10.673 -14.336 1.00 41.44 H new ATOM 0 HG23 ILE A 63 -19.448 10.957 -14.113 1.00 41.44 H new ATOM 0 HD11 ILE A 63 -18.313 14.102 -16.552 1.00 71.35 H new ATOM 0 HD12 ILE A 63 -20.080 13.911 -16.632 1.00 71.35 H new ATOM 0 HD13 ILE A 63 -19.219 13.592 -15.108 1.00 71.35 H new ATOM 651 N VAL A 64 -20.644 7.798 -15.251 1.00 20.23 N ATOM 652 CA VAL A 64 -21.641 6.884 -14.706 1.00 23.23 C ATOM 653 C VAL A 64 -22.020 7.270 -13.281 1.00 2.44 C ATOM 654 O VAL A 64 -21.190 7.768 -12.519 1.00 72.20 O ATOM 655 CB VAL A 64 -21.133 5.430 -14.714 1.00 24.24 C ATOM 656 CG1 VAL A 64 -22.197 4.489 -14.170 1.00 53.04 C ATOM 657 CG2 VAL A 64 -20.713 5.020 -16.117 1.00 52.03 C ATOM 0 H VAL A 64 -19.683 7.577 -14.991 1.00 20.23 H new ATOM 0 HA VAL A 64 -22.521 6.958 -15.345 1.00 23.23 H new ATOM 0 HB VAL A 64 -20.260 5.365 -14.065 1.00 24.24 H new ATOM 0 HG11 VAL A 64 -21.820 3.466 -14.184 1.00 53.04 H new ATOM 0 HG12 VAL A 64 -22.443 4.771 -13.146 1.00 53.04 H new ATOM 0 HG13 VAL A 64 -23.091 4.554 -14.790 1.00 53.04 H new ATOM 0 HG21 VAL A 64 -20.357 3.990 -16.104 1.00 52.03 H new ATOM 0 HG22 VAL A 64 -21.566 5.100 -16.790 1.00 52.03 H new ATOM 0 HG23 VAL A 64 -19.914 5.676 -16.464 1.00 52.03 H new ATOM 667 N VAL A 65 -23.280 7.038 -12.925 1.00 45.14 N ATOM 668 CA VAL A 65 -23.769 7.360 -11.591 1.00 14.45 C ATOM 669 C VAL A 65 -24.737 6.295 -11.088 1.00 24.51 C ATOM 670 O VAL A 65 -25.608 5.835 -11.826 1.00 31.30 O ATOM 671 CB VAL A 65 -24.474 8.730 -11.567 1.00 31.33 C ATOM 672 CG1 VAL A 65 -24.809 9.133 -10.139 1.00 3.51 C ATOM 673 CG2 VAL A 65 -23.609 9.785 -12.239 1.00 53.22 C ATOM 0 H VAL A 65 -23.980 6.628 -13.543 1.00 45.14 H new ATOM 0 HA VAL A 65 -22.899 7.395 -10.935 1.00 14.45 H new ATOM 0 HB VAL A 65 -25.407 8.649 -12.124 1.00 31.33 H new ATOM 0 HG11 VAL A 65 -25.306 10.103 -10.142 1.00 3.51 H new ATOM 0 HG12 VAL A 65 -25.470 8.388 -9.696 1.00 3.51 H new ATOM 0 HG13 VAL A 65 -23.891 9.198 -9.554 1.00 3.51 H new ATOM 0 HG21 VAL A 65 -24.122 10.746 -12.213 1.00 53.22 H new ATOM 0 HG22 VAL A 65 -22.659 9.866 -11.711 1.00 53.22 H new ATOM 0 HG23 VAL A 65 -23.426 9.499 -13.275 1.00 53.22 H new ATOM 683 N ASP A 66 -24.577 5.906 -9.828 1.00 13.25 N ATOM 684 CA ASP A 66 -25.438 4.895 -9.224 1.00 63.15 C ATOM 685 C ASP A 66 -26.888 5.366 -9.189 1.00 51.50 C ATOM 686 O ASP A 66 -27.262 6.313 -9.883 1.00 64.02 O ATOM 687 CB ASP A 66 -24.960 4.567 -7.809 1.00 33.21 C ATOM 688 CG ASP A 66 -25.024 3.083 -7.506 1.00 35.32 C ATOM 689 OD1 ASP A 66 -24.766 2.278 -8.425 1.00 11.20 O ATOM 690 OD2 ASP A 66 -25.334 2.726 -6.350 1.00 21.25 O ATOM 0 H ASP A 66 -23.859 6.275 -9.205 1.00 13.25 H new ATOM 0 HA ASP A 66 -25.383 3.994 -9.835 1.00 63.15 H new ATOM 0 HB2 ASP A 66 -23.935 4.916 -7.685 1.00 33.21 H new ATOM 0 HB3 ASP A 66 -25.571 5.109 -7.087 1.00 33.21 H new ATOM 695 N LEU A 67 -27.702 4.700 -8.377 1.00 44.22 N ATOM 696 CA LEU A 67 -29.112 5.050 -8.252 1.00 12.24 C ATOM 697 C LEU A 67 -29.331 6.023 -7.097 1.00 73.31 C ATOM 698 O LEU A 67 -30.449 6.176 -6.606 1.00 14.54 O ATOM 699 CB LEU A 67 -29.954 3.790 -8.039 1.00 45.50 C ATOM 700 CG LEU A 67 -29.421 2.793 -7.010 1.00 4.34 C ATOM 701 CD1 LEU A 67 -28.370 1.889 -7.636 1.00 54.31 C ATOM 702 CD2 LEU A 67 -28.847 3.525 -5.805 1.00 41.42 C ATOM 0 H LEU A 67 -27.409 3.915 -7.796 1.00 44.22 H new ATOM 0 HA LEU A 67 -29.424 5.536 -9.177 1.00 12.24 H new ATOM 0 HB2 LEU A 67 -30.956 4.094 -7.736 1.00 45.50 H new ATOM 0 HB3 LEU A 67 -30.052 3.277 -8.996 1.00 45.50 H new ATOM 0 HG LEU A 67 -30.250 2.172 -6.672 1.00 4.34 H new ATOM 0 HD11 LEU A 67 -28.002 1.186 -6.888 1.00 54.31 H new ATOM 0 HD12 LEU A 67 -28.812 1.338 -8.466 1.00 54.31 H new ATOM 0 HD13 LEU A 67 -27.541 2.494 -8.003 1.00 54.31 H new ATOM 0 HD21 LEU A 67 -28.472 2.799 -5.083 1.00 41.42 H new ATOM 0 HD22 LEU A 67 -28.030 4.171 -6.127 1.00 41.42 H new ATOM 0 HD23 LEU A 67 -29.627 4.129 -5.341 1.00 41.42 H new ATOM 714 N SER A 68 -28.257 6.678 -6.670 1.00 43.34 N ATOM 715 CA SER A 68 -28.331 7.635 -5.573 1.00 10.24 C ATOM 716 C SER A 68 -29.022 7.018 -4.360 1.00 50.52 C ATOM 717 O SER A 68 -30.089 7.470 -3.944 1.00 1.05 O ATOM 718 CB SER A 68 -29.080 8.894 -6.015 1.00 23.11 C ATOM 719 OG SER A 68 -28.821 9.189 -7.377 1.00 33.13 O ATOM 0 H SER A 68 -27.325 6.563 -7.067 1.00 43.34 H new ATOM 0 HA SER A 68 -27.314 7.907 -5.291 1.00 10.24 H new ATOM 0 HB2 SER A 68 -30.151 8.755 -5.867 1.00 23.11 H new ATOM 0 HB3 SER A 68 -28.779 9.737 -5.393 1.00 23.11 H new ATOM 0 HG SER A 68 -29.312 9.997 -7.636 1.00 33.13 H new ATOM 725 N ASP A 69 -28.406 5.984 -3.799 1.00 1.11 N ATOM 726 CA ASP A 69 -28.960 5.305 -2.633 1.00 62.45 C ATOM 727 C ASP A 69 -28.737 6.127 -1.368 1.00 63.11 C ATOM 728 O ASP A 69 -27.721 6.809 -1.230 1.00 52.01 O ATOM 729 CB ASP A 69 -28.328 3.921 -2.475 1.00 60.33 C ATOM 730 CG ASP A 69 -29.343 2.802 -2.605 1.00 53.54 C ATOM 731 OD1 ASP A 69 -30.519 3.024 -2.247 1.00 73.40 O ATOM 732 OD2 ASP A 69 -28.962 1.706 -3.066 1.00 53.45 O ATOM 0 H ASP A 69 -27.523 5.597 -4.132 1.00 1.11 H new ATOM 0 HA ASP A 69 -30.033 5.191 -2.785 1.00 62.45 H new ATOM 0 HB2 ASP A 69 -27.551 3.792 -3.228 1.00 60.33 H new ATOM 0 HB3 ASP A 69 -27.842 3.856 -1.501 1.00 60.33 H new ATOM 737 N ASP A 70 -29.692 6.058 -0.448 1.00 55.10 N ATOM 738 CA ASP A 70 -29.601 6.796 0.806 1.00 3.24 C ATOM 739 C ASP A 70 -28.595 6.143 1.749 1.00 21.20 C ATOM 740 O ASP A 70 -28.281 6.683 2.808 1.00 4.44 O ATOM 741 CB ASP A 70 -30.972 6.874 1.478 1.00 14.05 C ATOM 742 CG ASP A 70 -31.744 8.116 1.077 1.00 31.32 C ATOM 743 OD1 ASP A 70 -32.150 8.207 -0.100 1.00 70.31 O ATOM 744 OD2 ASP A 70 -31.941 8.997 1.940 1.00 35.11 O ATOM 0 H ASP A 70 -30.539 5.498 -0.547 1.00 55.10 H new ATOM 0 HA ASP A 70 -29.258 7.806 0.580 1.00 3.24 H new ATOM 0 HB2 ASP A 70 -31.552 5.989 1.217 1.00 14.05 H new ATOM 0 HB3 ASP A 70 -30.844 6.863 2.560 1.00 14.05 H new ATOM 749 N ASN A 71 -28.095 4.976 1.356 1.00 63.22 N ATOM 750 CA ASN A 71 -27.126 4.248 2.167 1.00 64.53 C ATOM 751 C ASN A 71 -25.818 4.052 1.406 1.00 24.11 C ATOM 752 O ASN A 71 -24.817 3.613 1.973 1.00 34.25 O ATOM 753 CB ASN A 71 -27.695 2.890 2.582 1.00 31.41 C ATOM 754 CG ASN A 71 -27.137 2.410 3.908 1.00 32.12 C ATOM 755 OD1 ASN A 71 -25.956 2.079 4.014 1.00 11.22 O ATOM 756 ND2 ASN A 71 -27.987 2.370 4.928 1.00 72.23 N ATOM 0 H ASN A 71 -28.345 4.514 0.481 1.00 63.22 H new ATOM 0 HA ASN A 71 -26.922 4.838 3.061 1.00 64.53 H new ATOM 0 HB2 ASN A 71 -28.781 2.960 2.652 1.00 31.41 H new ATOM 0 HB3 ASN A 71 -27.472 2.154 1.809 1.00 31.41 H new ATOM 0 HD21 ASN A 71 -27.669 2.056 5.845 1.00 72.23 H new ATOM 0 HD22 ASN A 71 -28.958 2.654 4.794 1.00 72.23 H new ATOM 763 N SER A 72 -25.833 4.381 0.118 1.00 11.45 N ATOM 764 CA SER A 72 -24.650 4.239 -0.721 1.00 45.13 C ATOM 765 C SER A 72 -24.220 5.589 -1.289 1.00 35.14 C ATOM 766 O SER A 72 -23.213 6.159 -0.871 1.00 72.51 O ATOM 767 CB SER A 72 -24.923 3.257 -1.862 1.00 42.33 C ATOM 768 OG SER A 72 -25.319 1.992 -1.362 1.00 72.03 O ATOM 0 H SER A 72 -26.652 4.748 -0.367 1.00 11.45 H new ATOM 0 HA SER A 72 -23.841 3.851 -0.102 1.00 45.13 H new ATOM 0 HB2 SER A 72 -25.703 3.656 -2.510 1.00 42.33 H new ATOM 0 HB3 SER A 72 -24.027 3.146 -2.473 1.00 42.33 H new ATOM 0 HG SER A 72 -25.489 1.383 -2.111 1.00 72.03 H new ATOM 774 N GLY A 73 -24.994 6.095 -2.244 1.00 50.23 N ATOM 775 CA GLY A 73 -24.679 7.374 -2.854 1.00 63.43 C ATOM 776 C GLY A 73 -23.261 7.428 -3.387 1.00 24.11 C ATOM 777 O GLY A 73 -22.336 7.819 -2.674 1.00 61.21 O ATOM 0 H GLY A 73 -25.833 5.642 -2.606 1.00 50.23 H new ATOM 0 HA2 GLY A 73 -25.378 7.567 -3.668 1.00 63.43 H new ATOM 0 HA3 GLY A 73 -24.818 8.167 -2.120 1.00 63.43 H new ATOM 781 N LYS A 74 -23.087 7.033 -4.644 1.00 2.14 N ATOM 782 CA LYS A 74 -21.771 7.038 -5.273 1.00 33.45 C ATOM 783 C LYS A 74 -21.894 7.138 -6.790 1.00 2.34 C ATOM 784 O LYS A 74 -22.998 7.181 -7.331 1.00 11.41 O ATOM 785 CB LYS A 74 -20.999 5.771 -4.896 1.00 2.45 C ATOM 786 CG LYS A 74 -21.681 4.488 -5.337 1.00 15.41 C ATOM 787 CD LYS A 74 -20.833 3.268 -5.021 1.00 41.12 C ATOM 788 CE LYS A 74 -21.411 2.472 -3.861 1.00 51.03 C ATOM 789 NZ LYS A 74 -20.912 1.069 -3.848 1.00 74.13 N ATOM 0 H LYS A 74 -23.841 6.705 -5.247 1.00 2.14 H new ATOM 0 HA LYS A 74 -21.226 7.910 -4.912 1.00 33.45 H new ATOM 0 HB2 LYS A 74 -20.005 5.816 -5.341 1.00 2.45 H new ATOM 0 HB3 LYS A 74 -20.863 5.747 -3.815 1.00 2.45 H new ATOM 0 HG2 LYS A 74 -22.647 4.399 -4.840 1.00 15.41 H new ATOM 0 HG3 LYS A 74 -21.876 4.529 -6.409 1.00 15.41 H new ATOM 0 HD2 LYS A 74 -20.767 2.631 -5.903 1.00 41.12 H new ATOM 0 HD3 LYS A 74 -19.818 3.582 -4.778 1.00 41.12 H new ATOM 0 HE2 LYS A 74 -21.151 2.959 -2.921 1.00 51.03 H new ATOM 0 HE3 LYS A 74 -22.499 2.470 -3.928 1.00 51.03 H new ATOM 0 HZ1 LYS A 74 -21.329 0.560 -3.043 1.00 74.13 H new ATOM 0 HZ2 LYS A 74 -21.182 0.596 -4.734 1.00 74.13 H new ATOM 0 HZ3 LYS A 74 -19.876 1.070 -3.758 1.00 74.13 H new ATOM 803 N ALA A 75 -20.753 7.174 -7.470 1.00 4.02 N ATOM 804 CA ALA A 75 -20.733 7.266 -8.924 1.00 61.14 C ATOM 805 C ALA A 75 -19.333 7.011 -9.472 1.00 24.44 C ATOM 806 O ALA A 75 -18.375 6.870 -8.711 1.00 45.12 O ATOM 807 CB ALA A 75 -21.237 8.629 -9.374 1.00 1.30 C ATOM 0 H ALA A 75 -19.830 7.141 -7.037 1.00 4.02 H new ATOM 0 HA ALA A 75 -21.396 6.496 -9.320 1.00 61.14 H new ATOM 0 HB1 ALA A 75 -21.216 8.683 -10.462 1.00 1.30 H new ATOM 0 HB2 ALA A 75 -22.259 8.773 -9.023 1.00 1.30 H new ATOM 0 HB3 ALA A 75 -20.597 9.408 -8.960 1.00 1.30 H new ATOM 813 N TYR A 76 -19.221 6.951 -10.794 1.00 12.11 N ATOM 814 CA TYR A 76 -17.938 6.709 -11.443 1.00 10.43 C ATOM 815 C TYR A 76 -17.749 7.637 -12.639 1.00 1.43 C ATOM 816 O TYR A 76 -18.598 7.702 -13.529 1.00 24.24 O ATOM 817 CB TYR A 76 -17.837 5.251 -11.893 1.00 54.25 C ATOM 818 CG TYR A 76 -18.695 4.306 -11.083 1.00 14.21 C ATOM 819 CD1 TYR A 76 -20.042 4.133 -11.377 1.00 51.31 C ATOM 820 CD2 TYR A 76 -18.159 3.585 -10.023 1.00 44.41 C ATOM 821 CE1 TYR A 76 -20.830 3.272 -10.639 1.00 23.45 C ATOM 822 CE2 TYR A 76 -18.938 2.720 -9.280 1.00 53.20 C ATOM 823 CZ TYR A 76 -20.273 2.567 -9.591 1.00 53.23 C ATOM 824 OH TYR A 76 -21.054 1.707 -8.854 1.00 71.31 O ATOM 0 H TYR A 76 -20.004 7.067 -11.438 1.00 12.11 H new ATOM 0 HA TYR A 76 -17.149 6.914 -10.719 1.00 10.43 H new ATOM 0 HB2 TYR A 76 -18.126 5.182 -12.942 1.00 54.25 H new ATOM 0 HB3 TYR A 76 -16.797 4.931 -11.828 1.00 54.25 H new ATOM 0 HD1 TYR A 76 -20.481 4.682 -12.197 1.00 51.31 H new ATOM 0 HD2 TYR A 76 -17.114 3.703 -9.776 1.00 44.41 H new ATOM 0 HE1 TYR A 76 -21.876 3.151 -10.880 1.00 23.45 H new ATOM 0 HE2 TYR A 76 -18.504 2.167 -8.460 1.00 53.20 H new ATOM 0 HH TYR A 76 -20.510 1.289 -8.155 1.00 71.31 H new ATOM 834 N ILE A 77 -16.630 8.354 -12.652 1.00 61.32 N ATOM 835 CA ILE A 77 -16.327 9.277 -13.739 1.00 35.12 C ATOM 836 C ILE A 77 -15.215 8.733 -14.629 1.00 32.21 C ATOM 837 O ILE A 77 -14.051 8.692 -14.231 1.00 61.01 O ATOM 838 CB ILE A 77 -15.911 10.660 -13.203 1.00 71.44 C ATOM 839 CG1 ILE A 77 -16.912 11.146 -12.153 1.00 44.51 C ATOM 840 CG2 ILE A 77 -15.805 11.660 -14.345 1.00 65.40 C ATOM 841 CD1 ILE A 77 -16.566 12.499 -11.571 1.00 10.03 C ATOM 0 H ILE A 77 -15.919 8.313 -11.922 1.00 61.32 H new ATOM 0 HA ILE A 77 -17.239 9.383 -14.326 1.00 35.12 H new ATOM 0 HB ILE A 77 -14.932 10.572 -12.731 1.00 71.44 H new ATOM 0 HG12 ILE A 77 -17.903 11.196 -12.603 1.00 44.51 H new ATOM 0 HG13 ILE A 77 -16.964 10.415 -11.346 1.00 44.51 H new ATOM 0 HG21 ILE A 77 -15.510 12.633 -13.951 1.00 65.40 H new ATOM 0 HG22 ILE A 77 -15.058 11.317 -15.061 1.00 65.40 H new ATOM 0 HG23 ILE A 77 -16.771 11.748 -14.843 1.00 65.40 H new ATOM 0 HD11 ILE A 77 -17.318 12.781 -10.834 1.00 10.03 H new ATOM 0 HD12 ILE A 77 -15.588 12.450 -11.092 1.00 10.03 H new ATOM 0 HD13 ILE A 77 -16.542 13.242 -12.368 1.00 10.03 H new ATOM 853 N VAL A 78 -15.582 8.317 -15.837 1.00 64.11 N ATOM 854 CA VAL A 78 -14.615 7.778 -16.786 1.00 24.21 C ATOM 855 C VAL A 78 -13.932 8.894 -17.568 1.00 65.23 C ATOM 856 O VAL A 78 -14.593 9.725 -18.191 1.00 61.44 O ATOM 857 CB VAL A 78 -15.282 6.806 -17.777 1.00 34.34 C ATOM 858 CG1 VAL A 78 -14.231 6.060 -18.584 1.00 42.11 C ATOM 859 CG2 VAL A 78 -16.189 5.832 -17.038 1.00 43.32 C ATOM 0 H VAL A 78 -16.542 8.343 -16.181 1.00 64.11 H new ATOM 0 HA VAL A 78 -13.869 7.236 -16.204 1.00 24.21 H new ATOM 0 HB VAL A 78 -15.894 7.384 -18.470 1.00 34.34 H new ATOM 0 HG11 VAL A 78 -14.722 5.378 -19.278 1.00 42.11 H new ATOM 0 HG12 VAL A 78 -13.627 6.774 -19.143 1.00 42.11 H new ATOM 0 HG13 VAL A 78 -13.590 5.492 -17.910 1.00 42.11 H new ATOM 0 HG21 VAL A 78 -16.652 5.152 -17.753 1.00 43.32 H new ATOM 0 HG22 VAL A 78 -15.600 5.259 -16.322 1.00 43.32 H new ATOM 0 HG23 VAL A 78 -16.964 6.386 -16.509 1.00 43.32 H new ATOM 869 N PHE A 79 -12.603 8.907 -17.532 1.00 72.10 N ATOM 870 CA PHE A 79 -11.829 9.922 -18.238 1.00 31.44 C ATOM 871 C PHE A 79 -11.197 9.343 -19.500 1.00 25.11 C ATOM 872 O PHE A 79 -11.401 8.175 -19.830 1.00 41.21 O ATOM 873 CB PHE A 79 -10.742 10.491 -17.324 1.00 20.13 C ATOM 874 CG PHE A 79 -11.252 11.515 -16.351 1.00 15.21 C ATOM 875 CD1 PHE A 79 -11.311 12.854 -16.702 1.00 14.23 C ATOM 876 CD2 PHE A 79 -11.673 11.139 -15.085 1.00 61.24 C ATOM 877 CE1 PHE A 79 -11.781 13.799 -15.809 1.00 10.30 C ATOM 878 CE2 PHE A 79 -12.144 12.079 -14.189 1.00 2.22 C ATOM 879 CZ PHE A 79 -12.197 13.411 -14.550 1.00 43.25 C ATOM 0 H PHE A 79 -12.040 8.226 -17.022 1.00 72.10 H new ATOM 0 HA PHE A 79 -12.507 10.725 -18.528 1.00 31.44 H new ATOM 0 HB2 PHE A 79 -10.280 9.674 -16.770 1.00 20.13 H new ATOM 0 HB3 PHE A 79 -9.962 10.941 -17.938 1.00 20.13 H new ATOM 0 HD1 PHE A 79 -10.986 13.163 -17.684 1.00 14.23 H new ATOM 0 HD2 PHE A 79 -11.632 10.099 -14.796 1.00 61.24 H new ATOM 0 HE1 PHE A 79 -11.823 14.840 -16.095 1.00 10.30 H new ATOM 0 HE2 PHE A 79 -12.471 11.772 -13.206 1.00 2.22 H new ATOM 0 HZ PHE A 79 -12.563 14.147 -13.850 1.00 43.25 H new ATOM 889 N ALA A 80 -10.428 10.169 -20.202 1.00 1.45 N ATOM 890 CA ALA A 80 -9.764 9.741 -21.426 1.00 71.43 C ATOM 891 C ALA A 80 -8.652 8.741 -21.127 1.00 72.21 C ATOM 892 O ALA A 80 -8.421 7.805 -21.893 1.00 60.15 O ATOM 893 CB ALA A 80 -9.208 10.943 -22.174 1.00 41.31 C ATOM 0 H ALA A 80 -10.250 11.139 -19.943 1.00 1.45 H new ATOM 0 HA ALA A 80 -10.503 9.246 -22.056 1.00 71.43 H new ATOM 0 HB1 ALA A 80 -8.715 10.608 -23.086 1.00 41.31 H new ATOM 0 HB2 ALA A 80 -10.022 11.621 -22.430 1.00 41.31 H new ATOM 0 HB3 ALA A 80 -8.488 11.463 -21.542 1.00 41.31 H new ATOM 899 N THR A 81 -7.965 8.945 -20.008 1.00 23.35 N ATOM 900 CA THR A 81 -6.876 8.062 -19.608 1.00 44.50 C ATOM 901 C THR A 81 -6.486 8.294 -18.153 1.00 12.05 C ATOM 902 O THR A 81 -6.846 9.310 -17.559 1.00 50.31 O ATOM 903 CB THR A 81 -5.635 8.264 -20.498 1.00 25.51 C ATOM 904 OG1 THR A 81 -5.861 9.336 -21.420 1.00 31.52 O ATOM 905 CG2 THR A 81 -5.305 6.991 -21.263 1.00 74.32 C ATOM 0 H THR A 81 -8.143 9.714 -19.362 1.00 23.35 H new ATOM 0 HA THR A 81 -7.237 7.040 -19.726 1.00 44.50 H new ATOM 0 HB THR A 81 -4.791 8.512 -19.855 1.00 25.51 H new ATOM 0 HG1 THR A 81 -6.254 8.981 -22.245 1.00 31.52 H new ATOM 0 HG21 THR A 81 -4.425 7.158 -21.885 1.00 74.32 H new ATOM 0 HG22 THR A 81 -5.104 6.185 -20.558 1.00 74.32 H new ATOM 0 HG23 THR A 81 -6.149 6.717 -21.895 1.00 74.32 H new ATOM 913 N GLN A 82 -5.749 7.346 -17.584 1.00 21.51 N ATOM 914 CA GLN A 82 -5.311 7.448 -16.197 1.00 31.41 C ATOM 915 C GLN A 82 -4.591 8.769 -15.949 1.00 52.22 C ATOM 916 O GLN A 82 -4.601 9.292 -14.835 1.00 41.14 O ATOM 917 CB GLN A 82 -4.391 6.278 -15.843 1.00 30.00 C ATOM 918 CG GLN A 82 -4.513 5.824 -14.397 1.00 62.03 C ATOM 919 CD GLN A 82 -3.317 6.226 -13.557 1.00 10.13 C ATOM 920 OE1 GLN A 82 -2.605 7.176 -13.884 1.00 22.22 O ATOM 921 NE2 GLN A 82 -3.090 5.504 -12.466 1.00 32.22 N ATOM 0 H GLN A 82 -5.443 6.499 -18.062 1.00 21.51 H new ATOM 0 HA GLN A 82 -6.195 7.412 -15.560 1.00 31.41 H new ATOM 0 HB2 GLN A 82 -4.617 5.438 -16.499 1.00 30.00 H new ATOM 0 HB3 GLN A 82 -3.358 6.567 -16.039 1.00 30.00 H new ATOM 0 HG2 GLN A 82 -5.417 6.249 -13.962 1.00 62.03 H new ATOM 0 HG3 GLN A 82 -4.625 4.740 -14.369 1.00 62.03 H new ATOM 0 HE21 GLN A 82 -3.706 4.725 -12.233 1.00 32.22 H new ATOM 0 HE22 GLN A 82 -2.300 5.728 -11.861 1.00 32.22 H new ATOM 930 N GLU A 83 -3.968 9.303 -16.995 1.00 23.11 N ATOM 931 CA GLU A 83 -3.242 10.563 -16.889 1.00 42.21 C ATOM 932 C GLU A 83 -4.170 11.690 -16.445 1.00 10.02 C ATOM 933 O GLU A 83 -3.872 12.417 -15.497 1.00 32.41 O ATOM 934 CB GLU A 83 -2.595 10.919 -18.229 1.00 70.14 C ATOM 935 CG GLU A 83 -1.309 10.159 -18.505 1.00 63.33 C ATOM 936 CD GLU A 83 -0.508 10.761 -19.643 1.00 62.03 C ATOM 937 OE1 GLU A 83 -1.112 11.091 -20.685 1.00 43.01 O ATOM 938 OE2 GLU A 83 0.724 10.902 -19.491 1.00 52.32 O ATOM 0 H GLU A 83 -3.952 8.883 -17.924 1.00 23.11 H new ATOM 0 HA GLU A 83 -2.462 10.441 -16.138 1.00 42.21 H new ATOM 0 HB2 GLU A 83 -3.305 10.717 -19.031 1.00 70.14 H new ATOM 0 HB3 GLU A 83 -2.386 11.989 -18.249 1.00 70.14 H new ATOM 0 HG2 GLU A 83 -0.698 10.147 -17.602 1.00 63.33 H new ATOM 0 HG3 GLU A 83 -1.548 9.122 -18.742 1.00 63.33 H new ATOM 945 N SER A 84 -5.296 11.829 -17.137 1.00 50.04 N ATOM 946 CA SER A 84 -6.266 12.870 -16.818 1.00 34.40 C ATOM 947 C SER A 84 -7.017 12.536 -15.532 1.00 52.14 C ATOM 948 O SER A 84 -7.183 13.387 -14.659 1.00 70.00 O ATOM 949 CB SER A 84 -7.257 13.043 -17.970 1.00 55.34 C ATOM 950 OG SER A 84 -6.924 14.169 -18.764 1.00 72.45 O ATOM 0 H SER A 84 -5.559 11.234 -17.922 1.00 50.04 H new ATOM 0 HA SER A 84 -5.725 13.804 -16.670 1.00 34.40 H new ATOM 0 HB2 SER A 84 -7.260 12.146 -18.589 1.00 55.34 H new ATOM 0 HB3 SER A 84 -8.265 13.160 -17.572 1.00 55.34 H new ATOM 0 HG SER A 84 -7.571 14.257 -19.495 1.00 72.45 H new ATOM 956 N ALA A 85 -7.469 11.291 -15.425 1.00 31.14 N ATOM 957 CA ALA A 85 -8.200 10.843 -14.246 1.00 55.00 C ATOM 958 C ALA A 85 -7.423 11.145 -12.970 1.00 3.04 C ATOM 959 O ALA A 85 -7.928 11.814 -12.068 1.00 61.54 O ATOM 960 CB ALA A 85 -8.499 9.354 -14.345 1.00 14.45 C ATOM 0 H ALA A 85 -7.342 10.575 -16.140 1.00 31.14 H new ATOM 0 HA ALA A 85 -9.142 11.390 -14.204 1.00 55.00 H new ATOM 0 HB1 ALA A 85 -9.045 9.033 -13.458 1.00 14.45 H new ATOM 0 HB2 ALA A 85 -9.103 9.162 -15.232 1.00 14.45 H new ATOM 0 HB3 ALA A 85 -7.564 8.799 -14.416 1.00 14.45 H new ATOM 966 N GLN A 86 -6.192 10.647 -12.900 1.00 51.53 N ATOM 967 CA GLN A 86 -5.346 10.864 -11.733 1.00 21.33 C ATOM 968 C GLN A 86 -5.215 12.351 -11.423 1.00 53.31 C ATOM 969 O GLN A 86 -5.271 12.761 -10.264 1.00 42.20 O ATOM 970 CB GLN A 86 -3.961 10.255 -11.960 1.00 74.52 C ATOM 971 CG GLN A 86 -2.958 10.601 -10.872 1.00 41.43 C ATOM 972 CD GLN A 86 -1.969 9.482 -10.612 1.00 11.10 C ATOM 973 OE1 GLN A 86 -2.356 8.331 -10.409 1.00 12.03 O ATOM 974 NE2 GLN A 86 -0.684 9.814 -10.617 1.00 45.51 N ATOM 0 H GLN A 86 -5.759 10.091 -13.637 1.00 51.53 H new ATOM 0 HA GLN A 86 -5.816 10.374 -10.880 1.00 21.33 H new ATOM 0 HB2 GLN A 86 -4.056 9.171 -12.023 1.00 74.52 H new ATOM 0 HB3 GLN A 86 -3.576 10.598 -12.920 1.00 74.52 H new ATOM 0 HG2 GLN A 86 -2.415 11.502 -11.157 1.00 41.43 H new ATOM 0 HG3 GLN A 86 -3.492 10.830 -9.950 1.00 41.43 H new ATOM 0 HE21 GLN A 86 -0.408 10.781 -10.790 1.00 45.51 H new ATOM 0 HE22 GLN A 86 0.027 9.103 -10.448 1.00 45.51 H new ATOM 983 N ALA A 87 -5.041 13.155 -12.467 1.00 72.01 N ATOM 984 CA ALA A 87 -4.904 14.597 -12.307 1.00 13.24 C ATOM 985 C ALA A 87 -6.111 15.186 -11.583 1.00 64.00 C ATOM 986 O ALA A 87 -5.963 15.934 -10.617 1.00 11.34 O ATOM 987 CB ALA A 87 -4.722 15.264 -13.662 1.00 10.21 C ATOM 0 H ALA A 87 -4.992 12.832 -13.433 1.00 72.01 H new ATOM 0 HA ALA A 87 -4.020 14.788 -11.699 1.00 13.24 H new ATOM 0 HB1 ALA A 87 -4.621 16.341 -13.527 1.00 10.21 H new ATOM 0 HB2 ALA A 87 -3.825 14.873 -14.143 1.00 10.21 H new ATOM 0 HB3 ALA A 87 -5.589 15.057 -14.289 1.00 10.21 H new ATOM 993 N PHE A 88 -7.304 14.844 -12.057 1.00 40.02 N ATOM 994 CA PHE A 88 -8.536 15.340 -11.456 1.00 54.51 C ATOM 995 C PHE A 88 -8.711 14.793 -10.043 1.00 32.33 C ATOM 996 O PHE A 88 -9.256 15.465 -9.167 1.00 73.12 O ATOM 997 CB PHE A 88 -9.741 14.954 -12.317 1.00 44.25 C ATOM 998 CG PHE A 88 -11.061 15.196 -11.644 1.00 73.22 C ATOM 999 CD1 PHE A 88 -11.710 16.413 -11.779 1.00 32.41 C ATOM 1000 CD2 PHE A 88 -11.654 14.206 -10.877 1.00 72.01 C ATOM 1001 CE1 PHE A 88 -12.925 16.638 -11.160 1.00 31.43 C ATOM 1002 CE2 PHE A 88 -12.869 14.425 -10.256 1.00 14.11 C ATOM 1003 CZ PHE A 88 -13.506 15.642 -10.398 1.00 50.33 C ATOM 0 H PHE A 88 -7.444 14.225 -12.856 1.00 40.02 H new ATOM 0 HA PHE A 88 -8.471 16.427 -11.401 1.00 54.51 H new ATOM 0 HB2 PHE A 88 -9.708 15.520 -13.248 1.00 44.25 H new ATOM 0 HB3 PHE A 88 -9.665 13.899 -12.582 1.00 44.25 H new ATOM 0 HD1 PHE A 88 -11.261 17.194 -12.375 1.00 32.41 H new ATOM 0 HD2 PHE A 88 -11.161 13.252 -10.763 1.00 72.01 H new ATOM 0 HE1 PHE A 88 -13.420 17.591 -11.272 1.00 31.43 H new ATOM 0 HE2 PHE A 88 -13.320 13.645 -9.660 1.00 14.11 H new ATOM 0 HZ PHE A 88 -14.456 15.815 -9.915 1.00 50.33 H new ATOM 1013 N VAL A 89 -8.245 13.567 -9.828 1.00 21.42 N ATOM 1014 CA VAL A 89 -8.349 12.927 -8.521 1.00 44.35 C ATOM 1015 C VAL A 89 -7.526 13.674 -7.477 1.00 62.15 C ATOM 1016 O VAL A 89 -7.990 13.915 -6.364 1.00 55.51 O ATOM 1017 CB VAL A 89 -7.880 11.461 -8.575 1.00 75.15 C ATOM 1018 CG1 VAL A 89 -7.906 10.841 -7.187 1.00 21.42 C ATOM 1019 CG2 VAL A 89 -8.743 10.662 -9.541 1.00 42.11 C ATOM 0 H VAL A 89 -7.792 12.997 -10.542 1.00 21.42 H new ATOM 0 HA VAL A 89 -9.401 12.954 -8.238 1.00 44.35 H new ATOM 0 HB VAL A 89 -6.852 11.439 -8.937 1.00 75.15 H new ATOM 0 HG11 VAL A 89 -7.572 9.805 -7.245 1.00 21.42 H new ATOM 0 HG12 VAL A 89 -7.243 11.400 -6.526 1.00 21.42 H new ATOM 0 HG13 VAL A 89 -8.922 10.873 -6.793 1.00 21.42 H new ATOM 0 HG21 VAL A 89 -8.398 9.628 -9.567 1.00 42.11 H new ATOM 0 HG22 VAL A 89 -9.781 10.690 -9.210 1.00 42.11 H new ATOM 0 HG23 VAL A 89 -8.669 11.095 -10.539 1.00 42.11 H new ATOM 1029 N GLU A 90 -6.301 14.037 -7.846 1.00 31.11 N ATOM 1030 CA GLU A 90 -5.413 14.756 -6.940 1.00 53.20 C ATOM 1031 C GLU A 90 -5.728 16.249 -6.941 1.00 54.31 C ATOM 1032 O GLU A 90 -5.413 16.962 -5.988 1.00 72.44 O ATOM 1033 CB GLU A 90 -3.953 14.532 -7.337 1.00 23.22 C ATOM 1034 CG GLU A 90 -3.582 13.066 -7.489 1.00 5.32 C ATOM 1035 CD GLU A 90 -3.693 12.298 -6.186 1.00 53.03 C ATOM 1036 OE1 GLU A 90 -2.712 12.292 -5.414 1.00 60.12 O ATOM 1037 OE2 GLU A 90 -4.763 11.703 -5.939 1.00 73.12 O ATOM 0 H GLU A 90 -5.902 13.845 -8.765 1.00 31.11 H new ATOM 0 HA GLU A 90 -5.572 14.369 -5.933 1.00 53.20 H new ATOM 0 HB2 GLU A 90 -3.758 15.047 -8.278 1.00 23.22 H new ATOM 0 HB3 GLU A 90 -3.307 14.986 -6.585 1.00 23.22 H new ATOM 0 HG2 GLU A 90 -4.231 12.606 -8.234 1.00 5.32 H new ATOM 0 HG3 GLU A 90 -2.562 12.990 -7.865 1.00 5.32 H new ATOM 1044 N ALA A 91 -6.352 16.716 -8.018 1.00 71.30 N ATOM 1045 CA ALA A 91 -6.711 18.123 -8.143 1.00 73.24 C ATOM 1046 C ALA A 91 -7.930 18.456 -7.290 1.00 55.22 C ATOM 1047 O ALA A 91 -8.146 19.611 -6.923 1.00 14.24 O ATOM 1048 CB ALA A 91 -6.973 18.473 -9.601 1.00 21.13 C ATOM 0 H ALA A 91 -6.619 16.140 -8.816 1.00 71.30 H new ATOM 0 HA ALA A 91 -5.873 18.720 -7.782 1.00 73.24 H new ATOM 0 HB1 ALA A 91 -7.240 19.527 -9.680 1.00 21.13 H new ATOM 0 HB2 ALA A 91 -6.075 18.281 -10.188 1.00 21.13 H new ATOM 0 HB3 ALA A 91 -7.792 17.862 -9.980 1.00 21.13 H new ATOM 1054 N PHE A 92 -8.725 17.438 -6.979 1.00 34.21 N ATOM 1055 CA PHE A 92 -9.925 17.623 -6.170 1.00 45.40 C ATOM 1056 C PHE A 92 -9.921 16.683 -4.968 1.00 40.04 C ATOM 1057 O PHE A 92 -10.911 16.583 -4.244 1.00 25.43 O ATOM 1058 CB PHE A 92 -11.177 17.385 -7.015 1.00 75.41 C ATOM 1059 CG PHE A 92 -11.446 18.476 -8.012 1.00 5.05 C ATOM 1060 CD1 PHE A 92 -10.562 18.714 -9.052 1.00 55.05 C ATOM 1061 CD2 PHE A 92 -12.581 19.264 -7.908 1.00 24.34 C ATOM 1062 CE1 PHE A 92 -10.806 19.718 -9.970 1.00 55.21 C ATOM 1063 CE2 PHE A 92 -12.830 20.269 -8.823 1.00 11.23 C ATOM 1064 CZ PHE A 92 -11.942 20.496 -9.856 1.00 32.01 C ATOM 0 H PHE A 92 -8.560 16.476 -7.275 1.00 34.21 H new ATOM 0 HA PHE A 92 -9.932 18.650 -5.805 1.00 45.40 H new ATOM 0 HB2 PHE A 92 -11.073 16.438 -7.545 1.00 75.41 H new ATOM 0 HB3 PHE A 92 -12.038 17.288 -6.354 1.00 75.41 H new ATOM 0 HD1 PHE A 92 -9.673 18.108 -9.146 1.00 55.05 H new ATOM 0 HD2 PHE A 92 -13.279 19.091 -7.102 1.00 24.34 H new ATOM 0 HE1 PHE A 92 -10.109 19.894 -10.776 1.00 55.21 H new ATOM 0 HE2 PHE A 92 -13.718 20.876 -8.730 1.00 11.23 H new ATOM 0 HZ PHE A 92 -12.135 21.280 -10.573 1.00 32.01 H new ATOM 1074 N GLN A 93 -8.801 15.996 -4.765 1.00 52.42 N ATOM 1075 CA GLN A 93 -8.669 15.063 -3.653 1.00 12.24 C ATOM 1076 C GLN A 93 -9.139 15.700 -2.349 1.00 4.50 C ATOM 1077 O GLN A 93 -9.676 15.023 -1.474 1.00 11.44 O ATOM 1078 CB GLN A 93 -7.217 14.603 -3.515 1.00 61.11 C ATOM 1079 CG GLN A 93 -6.916 13.926 -2.187 1.00 52.44 C ATOM 1080 CD GLN A 93 -5.486 13.433 -2.094 1.00 42.25 C ATOM 1081 OE1 GLN A 93 -5.035 12.640 -2.922 1.00 13.30 O ATOM 1082 NE2 GLN A 93 -4.762 13.901 -1.084 1.00 34.01 N ATOM 0 H GLN A 93 -7.973 16.068 -5.356 1.00 52.42 H new ATOM 0 HA GLN A 93 -9.299 14.198 -3.861 1.00 12.24 H new ATOM 0 HB2 GLN A 93 -6.985 13.913 -4.326 1.00 61.11 H new ATOM 0 HB3 GLN A 93 -6.559 15.464 -3.631 1.00 61.11 H new ATOM 0 HG2 GLN A 93 -7.108 14.627 -1.375 1.00 52.44 H new ATOM 0 HG3 GLN A 93 -7.596 13.085 -2.050 1.00 52.44 H new ATOM 0 HE21 GLN A 93 -5.175 14.557 -0.421 1.00 34.01 H new ATOM 0 HE22 GLN A 93 -3.792 13.605 -0.971 1.00 34.01 H new ATOM 1091 N GLY A 94 -8.931 17.008 -2.227 1.00 11.24 N ATOM 1092 CA GLY A 94 -9.339 17.715 -1.026 1.00 65.23 C ATOM 1093 C GLY A 94 -10.026 19.030 -1.333 1.00 41.52 C ATOM 1094 O GLY A 94 -9.565 20.092 -0.914 1.00 10.43 O ATOM 0 H GLY A 94 -8.488 17.590 -2.938 1.00 11.24 H new ATOM 0 HA2 GLY A 94 -10.013 17.083 -0.447 1.00 65.23 H new ATOM 0 HA3 GLY A 94 -8.464 17.902 -0.403 1.00 65.23 H new ATOM 1098 N TYR A 95 -11.130 18.962 -2.068 1.00 72.32 N ATOM 1099 CA TYR A 95 -11.880 20.157 -2.435 1.00 11.23 C ATOM 1100 C TYR A 95 -13.336 20.044 -1.993 1.00 21.03 C ATOM 1101 O TYR A 95 -13.983 19.009 -2.156 1.00 5.01 O ATOM 1102 CB TYR A 95 -11.811 20.385 -3.946 1.00 5.24 C ATOM 1103 CG TYR A 95 -12.631 21.564 -4.419 1.00 4.15 C ATOM 1104 CD1 TYR A 95 -13.990 21.431 -4.676 1.00 43.30 C ATOM 1105 CD2 TYR A 95 -12.047 22.810 -4.609 1.00 2.42 C ATOM 1106 CE1 TYR A 95 -14.743 22.505 -5.109 1.00 0.41 C ATOM 1107 CE2 TYR A 95 -12.793 23.890 -5.040 1.00 5.20 C ATOM 1108 CZ TYR A 95 -14.140 23.733 -5.289 1.00 30.21 C ATOM 1109 OH TYR A 95 -14.886 24.806 -5.720 1.00 31.31 O ATOM 0 H TYR A 95 -11.526 18.091 -2.422 1.00 72.32 H new ATOM 0 HA TYR A 95 -11.429 21.008 -1.925 1.00 11.23 H new ATOM 0 HB2 TYR A 95 -10.771 20.537 -4.235 1.00 5.24 H new ATOM 0 HB3 TYR A 95 -12.155 19.486 -4.457 1.00 5.24 H new ATOM 0 HD1 TYR A 95 -14.466 20.472 -4.535 1.00 43.30 H new ATOM 0 HD2 TYR A 95 -10.992 22.937 -4.417 1.00 2.42 H new ATOM 0 HE1 TYR A 95 -15.798 22.384 -5.306 1.00 0.41 H new ATOM 0 HE2 TYR A 95 -12.323 24.852 -5.181 1.00 5.20 H new ATOM 0 HH TYR A 95 -14.311 25.596 -5.794 1.00 31.31 H new ATOM 1119 N PRO A 96 -13.866 21.135 -1.419 1.00 65.32 N ATOM 1120 CA PRO A 96 -15.251 21.185 -0.942 1.00 62.14 C ATOM 1121 C PRO A 96 -16.258 21.177 -2.087 1.00 14.31 C ATOM 1122 O PRO A 96 -16.420 22.174 -2.792 1.00 31.14 O ATOM 1123 CB PRO A 96 -15.316 22.511 -0.181 1.00 51.32 C ATOM 1124 CG PRO A 96 -14.249 23.352 -0.793 1.00 21.14 C ATOM 1125 CD PRO A 96 -13.153 22.403 -1.193 1.00 1.33 C ATOM 0 HA PRO A 96 -15.505 20.317 -0.334 1.00 62.14 H new ATOM 0 HB2 PRO A 96 -16.295 22.978 -0.283 1.00 51.32 H new ATOM 0 HB3 PRO A 96 -15.142 22.365 0.885 1.00 51.32 H new ATOM 0 HG2 PRO A 96 -14.629 23.896 -1.658 1.00 21.14 H new ATOM 0 HG3 PRO A 96 -13.883 24.095 -0.084 1.00 21.14 H new ATOM 0 HD2 PRO A 96 -12.638 22.740 -2.092 1.00 1.33 H new ATOM 0 HD3 PRO A 96 -12.400 22.307 -0.411 1.00 1.33 H new ATOM 1133 N PHE A 97 -16.934 20.047 -2.267 1.00 14.45 N ATOM 1134 CA PHE A 97 -17.927 19.910 -3.326 1.00 44.34 C ATOM 1135 C PHE A 97 -19.129 19.104 -2.845 1.00 21.51 C ATOM 1136 O PHE A 97 -18.987 18.171 -2.055 1.00 25.04 O ATOM 1137 CB PHE A 97 -17.305 19.238 -4.552 1.00 42.02 C ATOM 1138 CG PHE A 97 -18.306 18.883 -5.614 1.00 34.44 C ATOM 1139 CD1 PHE A 97 -18.949 19.873 -6.338 1.00 43.54 C ATOM 1140 CD2 PHE A 97 -18.606 17.558 -5.886 1.00 71.50 C ATOM 1141 CE1 PHE A 97 -19.871 19.550 -7.316 1.00 63.10 C ATOM 1142 CE2 PHE A 97 -19.527 17.228 -6.863 1.00 23.13 C ATOM 1143 CZ PHE A 97 -20.161 18.225 -7.578 1.00 3.23 C ATOM 0 H PHE A 97 -16.812 19.213 -1.693 1.00 14.45 H new ATOM 0 HA PHE A 97 -18.269 20.908 -3.601 1.00 44.34 H new ATOM 0 HB2 PHE A 97 -16.555 19.903 -4.979 1.00 42.02 H new ATOM 0 HB3 PHE A 97 -16.786 18.333 -4.236 1.00 42.02 H new ATOM 0 HD1 PHE A 97 -18.727 20.911 -6.136 1.00 43.54 H new ATOM 0 HD2 PHE A 97 -18.115 16.774 -5.329 1.00 71.50 H new ATOM 0 HE1 PHE A 97 -20.364 20.332 -7.874 1.00 63.10 H new ATOM 0 HE2 PHE A 97 -19.750 16.191 -7.067 1.00 23.13 H new ATOM 0 HZ PHE A 97 -20.882 17.969 -8.340 1.00 3.23 H new ATOM 1153 N GLN A 98 -20.312 19.471 -3.327 1.00 62.41 N ATOM 1154 CA GLN A 98 -21.539 18.782 -2.945 1.00 40.10 C ATOM 1155 C GLN A 98 -21.661 18.690 -1.428 1.00 34.43 C ATOM 1156 O GLN A 98 -22.269 17.759 -0.899 1.00 44.24 O ATOM 1157 CB GLN A 98 -21.575 17.381 -3.558 1.00 4.02 C ATOM 1158 CG GLN A 98 -22.818 17.112 -4.390 1.00 40.52 C ATOM 1159 CD GLN A 98 -24.089 17.574 -3.706 1.00 14.32 C ATOM 1160 OE1 GLN A 98 -24.656 18.610 -4.056 1.00 62.14 O ATOM 1161 NE2 GLN A 98 -24.546 16.806 -2.723 1.00 44.42 N ATOM 0 H GLN A 98 -20.447 20.241 -3.982 1.00 62.41 H new ATOM 0 HA GLN A 98 -22.383 19.358 -3.325 1.00 40.10 H new ATOM 0 HB2 GLN A 98 -20.693 17.245 -4.184 1.00 4.02 H new ATOM 0 HB3 GLN A 98 -21.516 16.642 -2.759 1.00 4.02 H new ATOM 0 HG2 GLN A 98 -22.723 17.617 -5.351 1.00 40.52 H new ATOM 0 HG3 GLN A 98 -22.888 16.044 -4.596 1.00 40.52 H new ATOM 0 HE21 GLN A 98 -24.045 15.956 -2.465 1.00 44.42 H new ATOM 0 HE22 GLN A 98 -25.398 17.067 -2.226 1.00 44.42 H new ATOM 1170 N GLY A 99 -21.080 19.662 -0.731 1.00 64.44 N ATOM 1171 CA GLY A 99 -21.135 19.671 0.719 1.00 63.42 C ATOM 1172 C GLY A 99 -19.809 20.050 1.347 1.00 4.51 C ATOM 1173 O GLY A 99 -19.665 21.141 1.898 1.00 32.12 O ATOM 0 H GLY A 99 -20.572 20.444 -1.145 1.00 64.44 H new ATOM 0 HA2 GLY A 99 -21.902 20.373 1.046 1.00 63.42 H new ATOM 0 HA3 GLY A 99 -21.433 18.685 1.074 1.00 63.42 H new ATOM 1177 N ASN A 100 -18.837 19.148 1.265 1.00 23.45 N ATOM 1178 CA ASN A 100 -17.516 19.393 1.833 1.00 42.20 C ATOM 1179 C ASN A 100 -16.604 18.187 1.630 1.00 21.13 C ATOM 1180 O ASN A 100 -15.560 18.268 0.982 1.00 11.45 O ATOM 1181 CB ASN A 100 -17.630 19.715 3.324 1.00 14.13 C ATOM 1182 CG ASN A 100 -17.265 21.154 3.635 1.00 23.30 C ATOM 1183 OD1 ASN A 100 -17.350 22.028 2.772 1.00 23.31 O ATOM 1184 ND2 ASN A 100 -16.855 21.406 4.873 1.00 62.33 N ATOM 0 H ASN A 100 -18.939 18.240 0.811 1.00 23.45 H new ATOM 0 HA ASN A 100 -17.079 20.248 1.316 1.00 42.20 H new ATOM 0 HB2 ASN A 100 -18.649 19.522 3.658 1.00 14.13 H new ATOM 0 HB3 ASN A 100 -16.978 19.048 3.888 1.00 14.13 H new ATOM 0 HD21 ASN A 100 -16.595 22.355 5.141 1.00 62.33 H new ATOM 0 HD22 ASN A 100 -16.800 20.650 5.556 1.00 62.33 H new ATOM 1191 N PRO A 101 -17.006 17.039 2.197 1.00 40.44 N ATOM 1192 CA PRO A 101 -16.240 15.794 2.091 1.00 34.21 C ATOM 1193 C PRO A 101 -16.261 15.218 0.679 1.00 11.42 C ATOM 1194 O PRO A 101 -17.247 14.610 0.260 1.00 23.21 O ATOM 1195 CB PRO A 101 -16.958 14.853 3.063 1.00 42.25 C ATOM 1196 CG PRO A 101 -18.350 15.378 3.140 1.00 41.14 C ATOM 1197 CD PRO A 101 -18.239 16.870 2.983 1.00 73.50 C ATOM 0 HA PRO A 101 -15.185 15.944 2.321 1.00 34.21 H new ATOM 0 HB2 PRO A 101 -16.942 13.824 2.703 1.00 42.25 H new ATOM 0 HB3 PRO A 101 -16.479 14.855 4.042 1.00 42.25 H new ATOM 0 HG2 PRO A 101 -18.973 14.948 2.356 1.00 41.14 H new ATOM 0 HG3 PRO A 101 -18.813 15.119 4.092 1.00 41.14 H new ATOM 0 HD2 PRO A 101 -19.105 17.285 2.467 1.00 73.50 H new ATOM 0 HD3 PRO A 101 -18.172 17.372 3.948 1.00 73.50 H new ATOM 1205 N LEU A 102 -15.168 15.414 -0.050 1.00 73.24 N ATOM 1206 CA LEU A 102 -15.061 14.913 -1.416 1.00 43.44 C ATOM 1207 C LEU A 102 -14.002 13.820 -1.514 1.00 24.00 C ATOM 1208 O LEU A 102 -12.836 14.039 -1.185 1.00 43.22 O ATOM 1209 CB LEU A 102 -14.720 16.057 -2.374 1.00 24.51 C ATOM 1210 CG LEU A 102 -15.398 16.010 -3.744 1.00 23.34 C ATOM 1211 CD1 LEU A 102 -14.694 16.940 -4.720 1.00 14.25 C ATOM 1212 CD2 LEU A 102 -15.417 14.586 -4.281 1.00 1.11 C ATOM 0 H LEU A 102 -14.344 15.916 0.281 1.00 73.24 H new ATOM 0 HA LEU A 102 -16.024 14.486 -1.697 1.00 43.44 H new ATOM 0 HB2 LEU A 102 -14.984 16.998 -1.892 1.00 24.51 H new ATOM 0 HB3 LEU A 102 -13.641 16.068 -2.525 1.00 24.51 H new ATOM 0 HG LEU A 102 -16.428 16.348 -3.630 1.00 23.34 H new ATOM 0 HD11 LEU A 102 -15.190 16.893 -5.689 1.00 14.25 H new ATOM 0 HD12 LEU A 102 -14.732 17.961 -4.341 1.00 14.25 H new ATOM 0 HD13 LEU A 102 -13.654 16.633 -4.830 1.00 14.25 H new ATOM 0 HD21 LEU A 102 -15.903 14.571 -5.256 1.00 1.11 H new ATOM 0 HD22 LEU A 102 -14.395 14.221 -4.379 1.00 1.11 H new ATOM 0 HD23 LEU A 102 -15.967 13.945 -3.592 1.00 1.11 H new ATOM 1224 N VAL A 103 -14.415 12.642 -1.970 1.00 60.21 N ATOM 1225 CA VAL A 103 -13.501 11.515 -2.115 1.00 35.34 C ATOM 1226 C VAL A 103 -13.388 11.083 -3.572 1.00 61.32 C ATOM 1227 O VAL A 103 -14.386 10.745 -4.210 1.00 0.34 O ATOM 1228 CB VAL A 103 -13.957 10.311 -1.268 1.00 3.21 C ATOM 1229 CG1 VAL A 103 -15.379 9.910 -1.630 1.00 45.53 C ATOM 1230 CG2 VAL A 103 -13.002 9.141 -1.449 1.00 44.22 C ATOM 0 H VAL A 103 -15.377 12.443 -2.245 1.00 60.21 H new ATOM 0 HA VAL A 103 -12.526 11.850 -1.762 1.00 35.34 H new ATOM 0 HB VAL A 103 -13.944 10.602 -0.218 1.00 3.21 H new ATOM 0 HG11 VAL A 103 -15.683 9.058 -1.021 1.00 45.53 H new ATOM 0 HG12 VAL A 103 -16.052 10.747 -1.444 1.00 45.53 H new ATOM 0 HG13 VAL A 103 -15.423 9.637 -2.684 1.00 45.53 H new ATOM 0 HG21 VAL A 103 -13.339 8.299 -0.844 1.00 44.22 H new ATOM 0 HG22 VAL A 103 -12.981 8.848 -2.499 1.00 44.22 H new ATOM 0 HG23 VAL A 103 -12.001 9.436 -1.134 1.00 44.22 H new ATOM 1240 N ILE A 104 -12.166 11.095 -4.094 1.00 2.23 N ATOM 1241 CA ILE A 104 -11.922 10.703 -5.476 1.00 63.01 C ATOM 1242 C ILE A 104 -10.789 9.686 -5.567 1.00 72.12 C ATOM 1243 O ILE A 104 -9.679 9.932 -5.095 1.00 64.12 O ATOM 1244 CB ILE A 104 -11.575 11.920 -6.354 1.00 13.22 C ATOM 1245 CG1 ILE A 104 -10.890 13.002 -5.516 1.00 64.34 C ATOM 1246 CG2 ILE A 104 -12.830 12.471 -7.015 1.00 70.40 C ATOM 1247 CD1 ILE A 104 -11.858 13.945 -4.838 1.00 41.21 C ATOM 0 H ILE A 104 -11.330 11.372 -3.580 1.00 2.23 H new ATOM 0 HA ILE A 104 -12.844 10.251 -5.843 1.00 63.01 H new ATOM 0 HB ILE A 104 -10.886 11.601 -7.136 1.00 13.22 H new ATOM 0 HG12 ILE A 104 -10.270 12.524 -4.758 1.00 64.34 H new ATOM 0 HG13 ILE A 104 -10.223 13.578 -6.157 1.00 64.34 H new ATOM 0 HG21 ILE A 104 -12.569 13.331 -7.632 1.00 70.40 H new ATOM 0 HG22 ILE A 104 -13.281 11.700 -7.639 1.00 70.40 H new ATOM 0 HG23 ILE A 104 -13.541 12.778 -6.248 1.00 70.40 H new ATOM 0 HD11 ILE A 104 -11.302 14.685 -4.262 1.00 41.21 H new ATOM 0 HD12 ILE A 104 -12.462 14.451 -5.592 1.00 41.21 H new ATOM 0 HD13 ILE A 104 -12.509 13.380 -4.171 1.00 41.21 H new ATOM 1259 N THR A 105 -11.077 8.541 -6.179 1.00 43.33 N ATOM 1260 CA THR A 105 -10.083 7.486 -6.334 1.00 10.44 C ATOM 1261 C THR A 105 -10.269 6.744 -7.652 1.00 13.10 C ATOM 1262 O THR A 105 -11.204 7.020 -8.404 1.00 60.35 O ATOM 1263 CB THR A 105 -10.153 6.475 -5.174 1.00 4.11 C ATOM 1264 OG1 THR A 105 -11.457 5.887 -5.115 1.00 23.54 O ATOM 1265 CG2 THR A 105 -9.834 7.149 -3.848 1.00 14.51 C ATOM 0 H THR A 105 -11.991 8.321 -6.575 1.00 43.33 H new ATOM 0 HA THR A 105 -9.106 7.969 -6.328 1.00 10.44 H new ATOM 0 HB THR A 105 -9.412 5.696 -5.355 1.00 4.11 H new ATOM 0 HG1 THR A 105 -11.493 5.244 -4.376 1.00 23.54 H new ATOM 0 HG21 THR A 105 -9.890 6.415 -3.044 1.00 14.51 H new ATOM 0 HG22 THR A 105 -8.829 7.570 -3.886 1.00 14.51 H new ATOM 0 HG23 THR A 105 -10.554 7.946 -3.662 1.00 14.51 H new ATOM 1273 N PHE A 106 -9.374 5.801 -7.926 1.00 34.40 N ATOM 1274 CA PHE A 106 -9.440 5.018 -9.155 1.00 14.22 C ATOM 1275 C PHE A 106 -10.319 3.784 -8.967 1.00 44.44 C ATOM 1276 O PHE A 106 -11.010 3.649 -7.958 1.00 25.42 O ATOM 1277 CB PHE A 106 -8.036 4.597 -9.592 1.00 60.21 C ATOM 1278 CG PHE A 106 -7.071 5.743 -9.697 1.00 15.40 C ATOM 1279 CD1 PHE A 106 -6.362 6.173 -8.587 1.00 53.20 C ATOM 1280 CD2 PHE A 106 -6.874 6.392 -10.906 1.00 35.24 C ATOM 1281 CE1 PHE A 106 -5.474 7.228 -8.680 1.00 63.22 C ATOM 1282 CE2 PHE A 106 -5.987 7.447 -11.005 1.00 20.42 C ATOM 1283 CZ PHE A 106 -5.287 7.866 -9.891 1.00 23.14 C ATOM 0 H PHE A 106 -8.594 5.560 -7.314 1.00 34.40 H new ATOM 0 HA PHE A 106 -9.882 5.642 -9.931 1.00 14.22 H new ATOM 0 HB2 PHE A 106 -7.646 3.868 -8.881 1.00 60.21 H new ATOM 0 HB3 PHE A 106 -8.100 4.097 -10.558 1.00 60.21 H new ATOM 0 HD1 PHE A 106 -6.505 5.678 -7.638 1.00 53.20 H new ATOM 0 HD2 PHE A 106 -7.420 6.069 -11.780 1.00 35.24 H new ATOM 0 HE1 PHE A 106 -4.927 7.553 -7.807 1.00 63.22 H new ATOM 0 HE2 PHE A 106 -5.841 7.943 -11.953 1.00 20.42 H new ATOM 0 HZ PHE A 106 -4.594 8.691 -9.966 1.00 23.14 H new