USER MOD reduce.3.24.130724 H: found=0, std=0, add=602, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 603 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 21 CYS SG : rot 180:sc= -0.0737 USER MOD Set 1.2: A 23 HIS : no HD1:sc= -2.53 K(o=-2.2,f=-5.5!) USER MOD Set 1.3: A 48 TYR OH : rot 172:sc= 0.414 USER MOD Single : A 10 ASN : amide:sc= 0 X(o=0,f=-0.00017) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ -154:sc= -0.0814 (180deg=-0.792) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 THR OG1 : rot 82:sc= 1.08 USER MOD Single : A 36 LYS NZ :NH3+ 162:sc= -0.0788 (180deg=-0.561) USER MOD Single : A 40 THR OG1 : rot 18:sc= 1.1 USER MOD Single : A 44 TYR OH : rot 120:sc= -0.0353 USER MOD Single : A 45 TYR OH : rot 28:sc= -0.165 USER MOD Single : A 47 HIS : no HE2:sc= -0.663 K(o=-0.66,f=-4.8!) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ 163:sc= -0.0612 (180deg=-0.588) USER MOD Single : A 54 ASN : amide:sc= -1.57 K(o=-1.6,f=-9.1!) USER MOD Single : A 62 ASN : amide:sc= -0.0964 X(o=-0.096,f=-0.12) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 ASN :FLIP amide:sc= -1.89 F(o=-2.5,f=-1.9) USER MOD Single : A 71 ASN :FLIP amide:sc= -0.87 F(o=-2.2,f=-0.87) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 GLN : amide:sc= -0.398 K(o=-0.4,f=-1.6) USER MOD Single : A 81 GLN : amide:sc= -1.64 X(o=-1.6,f=-1.7) USER MOD Single : A 82 CYS SG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 113 N ALA A 9 -11.733 -13.045 4.018 1.00 1.00 N ATOM 114 CA ALA A 9 -11.319 -12.060 5.027 1.00 1.00 C ATOM 115 C ALA A 9 -12.314 -10.892 5.090 1.00 1.00 C ATOM 116 O ALA A 9 -12.797 -10.418 4.061 1.00 1.00 O ATOM 117 CB ALA A 9 -9.913 -11.536 4.680 1.00 1.00 C ATOM 0 HA ALA A 9 -11.300 -12.543 6.004 1.00 1.00 H new ATOM 0 HB1 ALA A 9 -9.603 -10.805 5.427 1.00 1.00 H new ATOM 0 HB2 ALA A 9 -9.207 -12.367 4.670 1.00 1.00 H new ATOM 0 HB3 ALA A 9 -9.933 -11.065 3.697 1.00 1.00 H new ATOM 123 N ASN A 10 -12.609 -10.426 6.298 1.00 1.00 N ATOM 124 CA ASN A 10 -13.543 -9.307 6.496 1.00 1.00 C ATOM 125 C ASN A 10 -12.978 -8.028 5.871 1.00 1.00 C ATOM 126 O ASN A 10 -13.706 -7.248 5.258 1.00 1.00 O ATOM 127 CB ASN A 10 -13.795 -9.097 8.004 1.00 1.00 C ATOM 128 CG ASN A 10 -14.796 -7.961 8.243 1.00 1.00 C ATOM 129 OD1 ASN A 10 -14.463 -6.962 8.881 1.00 1.00 O ATOM 130 ND2 ASN A 10 -16.005 -8.056 7.759 1.00 1.00 N ATOM 0 H ASN A 10 -12.217 -10.802 7.162 1.00 1.00 H new ATOM 0 HA ASN A 10 -14.488 -9.544 6.007 1.00 1.00 H new ATOM 0 HB2 ASN A 10 -14.175 -10.019 8.444 1.00 1.00 H new ATOM 0 HB3 ASN A 10 -12.854 -8.868 8.505 1.00 1.00 H new ATOM 0 HD21 ASN A 10 -16.675 -7.302 7.909 1.00 1.00 H new ATOM 0 HD22 ASN A 10 -16.279 -8.884 7.231 1.00 1.00 H new ATOM 137 N THR A 11 -11.675 -7.815 6.027 1.00 1.00 N ATOM 138 CA THR A 11 -11.019 -6.624 5.478 1.00 1.00 C ATOM 139 C THR A 11 -11.034 -6.672 3.955 1.00 1.00 C ATOM 140 O THR A 11 -11.200 -7.730 3.348 1.00 1.00 O ATOM 141 CB THR A 11 -9.562 -6.551 5.979 1.00 1.00 C ATOM 142 OG1 THR A 11 -8.854 -7.690 5.517 1.00 1.00 O ATOM 143 CG2 THR A 11 -9.531 -6.522 7.517 1.00 1.00 C ATOM 0 H THR A 11 -11.050 -8.447 6.527 1.00 1.00 H new ATOM 0 HA THR A 11 -11.561 -5.739 5.812 1.00 1.00 H new ATOM 0 HB THR A 11 -9.097 -5.642 5.597 1.00 1.00 H new ATOM 0 HG1 THR A 11 -7.927 -7.648 5.831 1.00 1.00 H new ATOM 0 HG21 THR A 11 -8.497 -6.470 7.859 1.00 1.00 H new ATOM 0 HG22 THR A 11 -10.076 -5.649 7.875 1.00 1.00 H new ATOM 0 HG23 THR A 11 -9.998 -7.426 7.907 1.00 1.00 H new ATOM 151 N LEU A 12 -10.861 -5.509 3.332 1.00 1.00 N ATOM 152 CA LEU A 12 -10.860 -5.393 1.863 1.00 1.00 C ATOM 153 C LEU A 12 -9.446 -5.607 1.310 1.00 1.00 C ATOM 154 O LEU A 12 -9.238 -5.601 0.097 1.00 1.00 O ATOM 155 CB LEU A 12 -11.397 -3.993 1.455 1.00 1.00 C ATOM 156 CG LEU A 12 -12.748 -3.676 2.170 1.00 1.00 C ATOM 157 CD1 LEU A 12 -13.238 -2.272 1.748 1.00 1.00 C ATOM 158 CD2 LEU A 12 -13.833 -4.743 1.835 1.00 1.00 C ATOM 0 H LEU A 12 -10.718 -4.624 3.819 1.00 1.00 H new ATOM 0 HA LEU A 12 -11.508 -6.162 1.442 1.00 1.00 H new ATOM 0 HB2 LEU A 12 -10.661 -3.230 1.708 1.00 1.00 H new ATOM 0 HB3 LEU A 12 -11.537 -3.955 0.375 1.00 1.00 H new ATOM 0 HG LEU A 12 -12.580 -3.699 3.247 1.00 1.00 H new ATOM 0 HD11 LEU A 12 -14.181 -2.051 2.247 1.00 1.00 H new ATOM 0 HD12 LEU A 12 -12.494 -1.527 2.031 1.00 1.00 H new ATOM 0 HD13 LEU A 12 -13.384 -2.247 0.668 1.00 1.00 H new ATOM 0 HD21 LEU A 12 -14.761 -4.492 2.349 1.00 1.00 H new ATOM 0 HD22 LEU A 12 -14.007 -4.760 0.759 1.00 1.00 H new ATOM 0 HD23 LEU A 12 -13.491 -5.725 2.162 1.00 1.00 H new ATOM 170 N PHE A 13 -8.474 -5.799 2.196 1.00 1.00 N ATOM 171 CA PHE A 13 -7.063 -6.019 1.802 1.00 1.00 C ATOM 172 C PHE A 13 -6.743 -7.525 1.765 1.00 1.00 C ATOM 173 O PHE A 13 -6.749 -8.205 2.791 1.00 1.00 O ATOM 174 CB PHE A 13 -6.138 -5.311 2.817 1.00 1.00 C ATOM 175 CG PHE A 13 -6.474 -3.813 2.838 1.00 1.00 C ATOM 176 CD1 PHE A 13 -6.020 -2.982 1.794 1.00 1.00 C ATOM 177 CD2 PHE A 13 -7.248 -3.255 3.877 1.00 1.00 C ATOM 178 CE1 PHE A 13 -6.336 -1.615 1.793 1.00 1.00 C ATOM 179 CE2 PHE A 13 -7.557 -1.887 3.871 1.00 1.00 C ATOM 180 CZ PHE A 13 -7.101 -1.069 2.830 1.00 1.00 C ATOM 0 H PHE A 13 -8.628 -5.809 3.204 1.00 1.00 H new ATOM 0 HA PHE A 13 -6.901 -5.608 0.806 1.00 1.00 H new ATOM 0 HB2 PHE A 13 -6.270 -5.741 3.810 1.00 1.00 H new ATOM 0 HB3 PHE A 13 -5.094 -5.459 2.542 1.00 1.00 H new ATOM 0 HD1 PHE A 13 -5.427 -3.399 0.993 1.00 1.00 H new ATOM 0 HD2 PHE A 13 -7.604 -3.883 4.680 1.00 1.00 H new ATOM 0 HE1 PHE A 13 -5.988 -0.982 0.990 1.00 1.00 H new ATOM 0 HE2 PHE A 13 -8.147 -1.464 4.670 1.00 1.00 H new ATOM 0 HZ PHE A 13 -7.340 -0.016 2.827 1.00 1.00 H new ATOM 190 N VAL A 14 -6.446 -8.027 0.571 1.00 1.00 N ATOM 191 CA VAL A 14 -6.121 -9.467 0.374 1.00 1.00 C ATOM 192 C VAL A 14 -4.628 -9.627 0.077 1.00 1.00 C ATOM 193 O VAL A 14 -4.045 -8.850 -0.681 1.00 1.00 O ATOM 194 CB VAL A 14 -6.962 -10.036 -0.802 1.00 1.00 C ATOM 195 CG1 VAL A 14 -6.748 -11.568 -0.936 1.00 1.00 C ATOM 196 CG2 VAL A 14 -8.461 -9.741 -0.554 1.00 1.00 C ATOM 0 H VAL A 14 -6.419 -7.472 -0.285 1.00 1.00 H new ATOM 0 HA VAL A 14 -6.361 -10.018 1.283 1.00 1.00 H new ATOM 0 HB VAL A 14 -6.640 -9.557 -1.727 1.00 1.00 H new ATOM 0 HG11 VAL A 14 -7.345 -11.948 -1.765 1.00 1.00 H new ATOM 0 HG12 VAL A 14 -5.694 -11.773 -1.124 1.00 1.00 H new ATOM 0 HG13 VAL A 14 -7.054 -12.060 -0.013 1.00 1.00 H new ATOM 0 HG21 VAL A 14 -9.052 -10.140 -1.379 1.00 1.00 H new ATOM 0 HG22 VAL A 14 -8.775 -10.211 0.378 1.00 1.00 H new ATOM 0 HG23 VAL A 14 -8.613 -8.664 -0.486 1.00 1.00 H new ATOM 206 N ASP A 15 -4.012 -10.643 0.674 1.00 1.00 N ATOM 207 CA ASP A 15 -2.589 -10.914 0.488 1.00 1.00 C ATOM 208 C ASP A 15 -2.262 -11.223 -0.985 1.00 1.00 C ATOM 209 O ASP A 15 -3.024 -11.865 -1.709 1.00 1.00 O ATOM 210 CB ASP A 15 -2.177 -12.101 1.386 1.00 1.00 C ATOM 211 CG ASP A 15 -3.005 -13.343 1.046 1.00 1.00 C ATOM 212 OD1 ASP A 15 -4.203 -13.198 0.861 1.00 1.00 O ATOM 213 OD2 ASP A 15 -2.432 -14.418 0.987 1.00 1.00 O ATOM 0 H ASP A 15 -4.482 -11.299 1.298 1.00 1.00 H new ATOM 0 HA ASP A 15 -2.026 -10.024 0.769 1.00 1.00 H new ATOM 0 HB2 ASP A 15 -1.117 -12.315 1.252 1.00 1.00 H new ATOM 0 HB3 ASP A 15 -2.319 -11.838 2.434 1.00 1.00 H new ATOM 218 N GLY A 16 -1.098 -10.759 -1.430 1.00 1.00 N ATOM 219 CA GLY A 16 -0.644 -10.976 -2.817 1.00 1.00 C ATOM 220 C GLY A 16 -1.171 -9.880 -3.743 1.00 1.00 C ATOM 221 O GLY A 16 -0.832 -9.846 -4.925 1.00 1.00 O ATOM 0 H GLY A 16 -0.444 -10.228 -0.855 1.00 1.00 H new ATOM 0 HA2 GLY A 16 0.445 -10.991 -2.849 1.00 1.00 H new ATOM 0 HA3 GLY A 16 -0.987 -11.949 -3.168 1.00 1.00 H new ATOM 225 N GLU A 17 -1.990 -8.989 -3.192 1.00 1.00 N ATOM 226 CA GLU A 17 -2.584 -7.880 -3.969 1.00 1.00 C ATOM 227 C GLU A 17 -1.631 -6.674 -4.017 1.00 1.00 C ATOM 228 O GLU A 17 -1.048 -6.278 -3.009 1.00 1.00 O ATOM 229 CB GLU A 17 -3.933 -7.469 -3.322 1.00 1.00 C ATOM 230 CG GLU A 17 -4.703 -6.435 -4.195 1.00 1.00 C ATOM 231 CD GLU A 17 -5.154 -7.047 -5.527 1.00 1.00 C ATOM 232 OE1 GLU A 17 -5.292 -8.261 -5.589 1.00 1.00 O ATOM 233 OE2 GLU A 17 -5.359 -6.293 -6.462 1.00 1.00 O ATOM 0 H GLU A 17 -2.264 -9.004 -2.210 1.00 1.00 H new ATOM 0 HA GLU A 17 -2.755 -8.216 -4.992 1.00 1.00 H new ATOM 0 HB2 GLU A 17 -4.552 -8.355 -3.178 1.00 1.00 H new ATOM 0 HB3 GLU A 17 -3.748 -7.045 -2.335 1.00 1.00 H new ATOM 0 HG2 GLU A 17 -5.573 -6.072 -3.648 1.00 1.00 H new ATOM 0 HG3 GLU A 17 -4.064 -5.573 -4.387 1.00 1.00 H new ATOM 240 N ARG A 18 -1.490 -6.085 -5.200 1.00 1.00 N ATOM 241 CA ARG A 18 -0.625 -4.910 -5.393 1.00 1.00 C ATOM 242 C ARG A 18 -1.356 -3.654 -4.894 1.00 1.00 C ATOM 243 O ARG A 18 -2.532 -3.440 -5.187 1.00 1.00 O ATOM 244 CB ARG A 18 -0.266 -4.781 -6.888 1.00 1.00 C ATOM 245 CG ARG A 18 0.735 -3.622 -7.124 1.00 1.00 C ATOM 246 CD ARG A 18 1.116 -3.553 -8.614 1.00 1.00 C ATOM 247 NE ARG A 18 -0.085 -3.307 -9.416 1.00 1.00 N ATOM 248 CZ ARG A 18 -0.055 -3.265 -10.753 1.00 1.00 C ATOM 249 NH1 ARG A 18 1.069 -3.415 -11.402 1.00 1.00 N ATOM 250 NH2 ARG A 18 -1.164 -3.073 -11.414 1.00 1.00 N ATOM 0 H ARG A 18 -1.963 -6.399 -6.048 1.00 1.00 H new ATOM 0 HA ARG A 18 0.297 -5.024 -4.823 1.00 1.00 H new ATOM 0 HB2 ARG A 18 0.166 -5.717 -7.243 1.00 1.00 H new ATOM 0 HB3 ARG A 18 -1.172 -4.607 -7.469 1.00 1.00 H new ATOM 0 HG2 ARG A 18 0.292 -2.677 -6.809 1.00 1.00 H new ATOM 0 HG3 ARG A 18 1.628 -3.773 -6.518 1.00 1.00 H new ATOM 0 HD2 ARG A 18 1.844 -2.758 -8.777 1.00 1.00 H new ATOM 0 HD3 ARG A 18 1.587 -4.486 -8.923 1.00 1.00 H new ATOM 0 HE ARG A 18 -0.975 -3.163 -8.939 1.00 1.00 H new ATOM 0 HH11 ARG A 18 1.938 -3.566 -10.889 1.00 1.00 H new ATOM 0 HH12 ARG A 18 1.078 -3.381 -12.421 1.00 1.00 H new ATOM 0 HH21 ARG A 18 -2.044 -2.956 -10.911 1.00 1.00 H new ATOM 0 HH22 ARG A 18 -1.151 -3.039 -12.433 1.00 1.00 H new ATOM 264 N VAL A 19 -0.660 -2.813 -4.135 1.00 1.00 N ATOM 265 CA VAL A 19 -1.248 -1.566 -3.580 1.00 1.00 C ATOM 266 C VAL A 19 -0.252 -0.421 -3.683 1.00 1.00 C ATOM 267 O VAL A 19 0.920 -0.605 -4.009 1.00 1.00 O ATOM 268 CB VAL A 19 -1.677 -1.768 -2.094 1.00 1.00 C ATOM 269 CG1 VAL A 19 -2.793 -2.838 -2.011 1.00 1.00 C ATOM 270 CG2 VAL A 19 -0.464 -2.200 -1.233 1.00 1.00 C ATOM 0 H VAL A 19 0.317 -2.960 -3.881 1.00 1.00 H new ATOM 0 HA VAL A 19 -2.134 -1.319 -4.165 1.00 1.00 H new ATOM 0 HB VAL A 19 -2.057 -0.822 -1.708 1.00 1.00 H new ATOM 0 HG11 VAL A 19 -3.089 -2.975 -0.971 1.00 1.00 H new ATOM 0 HG12 VAL A 19 -3.655 -2.511 -2.593 1.00 1.00 H new ATOM 0 HG13 VAL A 19 -2.422 -3.782 -2.410 1.00 1.00 H new ATOM 0 HG21 VAL A 19 -0.782 -2.336 -0.199 1.00 1.00 H new ATOM 0 HG22 VAL A 19 -0.062 -3.138 -1.616 1.00 1.00 H new ATOM 0 HG23 VAL A 19 0.306 -1.430 -1.277 1.00 1.00 H new ATOM 280 N LEU A 20 -0.735 0.783 -3.391 1.00 1.00 N ATOM 281 CA LEU A 20 0.100 1.999 -3.444 1.00 1.00 C ATOM 282 C LEU A 20 0.285 2.578 -2.027 1.00 1.00 C ATOM 283 O LEU A 20 -0.634 2.610 -1.210 1.00 1.00 O ATOM 284 CB LEU A 20 -0.573 3.039 -4.371 1.00 1.00 C ATOM 285 CG LEU A 20 -0.897 2.423 -5.771 1.00 1.00 C ATOM 286 CD1 LEU A 20 -1.561 3.497 -6.662 1.00 1.00 C ATOM 287 CD2 LEU A 20 0.380 1.860 -6.467 1.00 1.00 C ATOM 0 H LEU A 20 -1.702 0.952 -3.114 1.00 1.00 H new ATOM 0 HA LEU A 20 1.084 1.749 -3.841 1.00 1.00 H new ATOM 0 HB2 LEU A 20 -1.491 3.401 -3.909 1.00 1.00 H new ATOM 0 HB3 LEU A 20 0.084 3.900 -4.493 1.00 1.00 H new ATOM 0 HG LEU A 20 -1.582 1.587 -5.625 1.00 1.00 H new ATOM 0 HD11 LEU A 20 -1.788 3.070 -7.639 1.00 1.00 H new ATOM 0 HD12 LEU A 20 -2.483 3.840 -6.193 1.00 1.00 H new ATOM 0 HD13 LEU A 20 -0.881 4.340 -6.784 1.00 1.00 H new ATOM 0 HD21 LEU A 20 0.111 1.441 -7.437 1.00 1.00 H new ATOM 0 HD22 LEU A 20 1.103 2.664 -6.607 1.00 1.00 H new ATOM 0 HD23 LEU A 20 0.820 1.081 -5.845 1.00 1.00 H new ATOM 299 N CYS A 21 1.497 3.050 -1.751 1.00 1.00 N ATOM 300 CA CYS A 21 1.844 3.637 -0.427 1.00 1.00 C ATOM 301 C CYS A 21 2.445 5.035 -0.599 1.00 1.00 C ATOM 302 O CYS A 21 3.432 5.221 -1.311 1.00 1.00 O ATOM 303 CB CYS A 21 2.857 2.724 0.288 1.00 1.00 C ATOM 304 SG CYS A 21 3.200 3.379 1.941 1.00 1.00 S ATOM 0 H CYS A 21 2.269 3.045 -2.418 1.00 1.00 H new ATOM 0 HA CYS A 21 0.936 3.719 0.170 1.00 1.00 H new ATOM 0 HB2 CYS A 21 2.461 1.711 0.362 1.00 1.00 H new ATOM 0 HB3 CYS A 21 3.779 2.664 -0.290 1.00 1.00 H new ATOM 0 HG CYS A 21 4.054 2.607 2.545 1.00 1.00 H new ATOM 310 N PHE A 22 1.839 6.022 0.051 1.00 1.00 N ATOM 311 CA PHE A 22 2.310 7.424 -0.016 1.00 1.00 C ATOM 312 C PHE A 22 2.903 7.840 1.324 1.00 1.00 C ATOM 313 O PHE A 22 2.903 7.086 2.296 1.00 1.00 O ATOM 314 CB PHE A 22 1.144 8.356 -0.403 1.00 1.00 C ATOM 315 CG PHE A 22 0.062 8.374 0.691 1.00 1.00 C ATOM 316 CD1 PHE A 22 -0.975 7.424 0.680 1.00 1.00 C ATOM 317 CD2 PHE A 22 0.102 9.341 1.718 1.00 1.00 C ATOM 318 CE1 PHE A 22 -1.960 7.443 1.676 1.00 1.00 C ATOM 319 CE2 PHE A 22 -0.884 9.354 2.711 1.00 1.00 C ATOM 320 CZ PHE A 22 -1.915 8.408 2.691 1.00 1.00 C ATOM 0 H PHE A 22 1.015 5.888 0.637 1.00 1.00 H new ATOM 0 HA PHE A 22 3.085 7.503 -0.779 1.00 1.00 H new ATOM 0 HB2 PHE A 22 1.520 9.366 -0.563 1.00 1.00 H new ATOM 0 HB3 PHE A 22 0.707 8.025 -1.345 1.00 1.00 H new ATOM 0 HD1 PHE A 22 -1.012 6.677 -0.099 1.00 1.00 H new ATOM 0 HD2 PHE A 22 0.896 10.073 1.738 1.00 1.00 H new ATOM 0 HE1 PHE A 22 -2.755 6.713 1.662 1.00 1.00 H new ATOM 0 HE2 PHE A 22 -0.849 10.096 3.495 1.00 1.00 H new ATOM 0 HZ PHE A 22 -2.676 8.422 3.458 1.00 1.00 H new ATOM 330 N HIS A 23 3.427 9.060 1.381 1.00 1.00 N ATOM 331 CA HIS A 23 4.041 9.587 2.611 1.00 1.00 C ATOM 332 C HIS A 23 3.895 11.103 2.656 1.00 1.00 C ATOM 333 O HIS A 23 3.817 11.692 3.735 1.00 1.00 O ATOM 334 CB HIS A 23 5.532 9.189 2.651 1.00 1.00 C ATOM 335 CG HIS A 23 5.648 7.687 2.593 1.00 1.00 C ATOM 336 ND1 HIS A 23 5.630 6.994 1.393 1.00 1.00 N ATOM 337 CD2 HIS A 23 5.754 6.732 3.575 1.00 1.00 C ATOM 338 CE1 HIS A 23 5.721 5.684 1.679 1.00 1.00 C ATOM 339 NE2 HIS A 23 5.799 5.468 2.994 1.00 1.00 N ATOM 0 H HIS A 23 3.442 9.708 0.594 1.00 1.00 H new ATOM 0 HA HIS A 23 3.536 9.165 3.480 1.00 1.00 H new ATOM 0 HB2 HIS A 23 6.063 9.639 1.812 1.00 1.00 H new ATOM 0 HB3 HIS A 23 5.997 9.566 3.562 1.00 1.00 H new ATOM 0 HD2 HIS A 23 5.796 6.932 4.636 1.00 1.00 H new ATOM 0 HE1 HIS A 23 5.730 4.901 0.935 1.00 1.00 H new ATOM 0 HE2 HIS A 23 5.875 4.569 3.471 1.00 1.00 H new ATOM 348 N GLY A 24 3.870 11.737 1.488 1.00 1.00 N ATOM 349 CA GLY A 24 3.725 13.191 1.368 1.00 1.00 C ATOM 350 C GLY A 24 4.311 13.676 0.030 1.00 1.00 C ATOM 351 O GLY A 24 3.569 14.219 -0.789 1.00 1.00 O ATOM 0 H GLY A 24 3.950 11.258 0.591 1.00 1.00 H new ATOM 0 HA2 GLY A 24 2.672 13.465 1.433 1.00 1.00 H new ATOM 0 HA3 GLY A 24 4.234 13.684 2.196 1.00 1.00 H new ATOM 355 N PRO A 25 5.584 13.509 -0.205 1.00 1.00 N ATOM 356 CA PRO A 25 6.224 13.973 -1.492 1.00 1.00 C ATOM 357 C PRO A 25 5.550 13.397 -2.761 1.00 1.00 C ATOM 358 O PRO A 25 5.157 14.127 -3.671 1.00 1.00 O ATOM 359 CB PRO A 25 7.704 13.482 -1.364 1.00 1.00 C ATOM 360 CG PRO A 25 7.933 13.348 0.120 1.00 1.00 C ATOM 361 CD PRO A 25 6.587 12.861 0.687 1.00 1.00 C ATOM 0 HA PRO A 25 6.130 15.052 -1.616 1.00 1.00 H new ATOM 0 HB2 PRO A 25 7.852 12.531 -1.875 1.00 1.00 H new ATOM 0 HB3 PRO A 25 8.398 14.195 -1.810 1.00 1.00 H new ATOM 0 HG2 PRO A 25 8.732 12.638 0.334 1.00 1.00 H new ATOM 0 HG3 PRO A 25 8.226 14.300 0.562 1.00 1.00 H new ATOM 0 HD2 PRO A 25 6.508 11.774 0.658 1.00 1.00 H new ATOM 0 HD3 PRO A 25 6.456 13.163 1.726 1.00 1.00 H new ATOM 369 N LEU A 26 5.437 12.073 -2.816 1.00 1.00 N ATOM 370 CA LEU A 26 4.834 11.394 -3.995 1.00 1.00 C ATOM 371 C LEU A 26 4.317 10.000 -3.613 1.00 1.00 C ATOM 372 O LEU A 26 4.696 9.426 -2.591 1.00 1.00 O ATOM 373 CB LEU A 26 5.912 11.277 -5.148 1.00 1.00 C ATOM 374 CG LEU A 26 5.278 11.479 -6.586 1.00 1.00 C ATOM 375 CD1 LEU A 26 5.125 12.991 -6.918 1.00 1.00 C ATOM 376 CD2 LEU A 26 6.159 10.807 -7.677 1.00 1.00 C ATOM 0 H LEU A 26 5.746 11.442 -2.076 1.00 1.00 H new ATOM 0 HA LEU A 26 3.990 11.986 -4.347 1.00 1.00 H new ATOM 0 HB2 LEU A 26 6.693 12.021 -4.990 1.00 1.00 H new ATOM 0 HB3 LEU A 26 6.390 10.298 -5.098 1.00 1.00 H new ATOM 0 HG LEU A 26 4.293 11.011 -6.578 1.00 1.00 H new ATOM 0 HD11 LEU A 26 4.688 13.103 -7.910 1.00 1.00 H new ATOM 0 HD12 LEU A 26 4.476 13.462 -6.180 1.00 1.00 H new ATOM 0 HD13 LEU A 26 6.104 13.469 -6.897 1.00 1.00 H new ATOM 0 HD21 LEU A 26 5.704 10.958 -8.656 1.00 1.00 H new ATOM 0 HD22 LEU A 26 7.154 11.252 -7.666 1.00 1.00 H new ATOM 0 HD23 LEU A 26 6.237 9.739 -7.475 1.00 1.00 H new ATOM 388 N ILE A 27 3.453 9.460 -4.467 1.00 1.00 N ATOM 389 CA ILE A 27 2.872 8.123 -4.248 1.00 1.00 C ATOM 390 C ILE A 27 3.836 7.043 -4.780 1.00 1.00 C ATOM 391 O ILE A 27 4.254 7.087 -5.936 1.00 1.00 O ATOM 392 CB ILE A 27 1.490 8.020 -4.969 1.00 1.00 C ATOM 393 CG1 ILE A 27 0.574 9.202 -4.521 1.00 1.00 C ATOM 394 CG2 ILE A 27 0.814 6.668 -4.617 1.00 1.00 C ATOM 395 CD1 ILE A 27 -0.739 9.224 -5.322 1.00 1.00 C ATOM 0 H ILE A 27 3.135 9.921 -5.319 1.00 1.00 H new ATOM 0 HA ILE A 27 2.722 7.966 -3.180 1.00 1.00 H new ATOM 0 HB ILE A 27 1.642 8.073 -6.047 1.00 1.00 H new ATOM 0 HG12 ILE A 27 0.353 9.111 -3.458 1.00 1.00 H new ATOM 0 HG13 ILE A 27 1.102 10.146 -4.657 1.00 1.00 H new ATOM 0 HG21 ILE A 27 -0.150 6.601 -5.122 1.00 1.00 H new ATOM 0 HG22 ILE A 27 1.452 5.846 -4.942 1.00 1.00 H new ATOM 0 HG23 ILE A 27 0.664 6.606 -3.539 1.00 1.00 H new ATOM 0 HD11 ILE A 27 -1.356 10.058 -4.987 1.00 1.00 H new ATOM 0 HD12 ILE A 27 -0.516 9.340 -6.383 1.00 1.00 H new ATOM 0 HD13 ILE A 27 -1.277 8.289 -5.165 1.00 1.00 H new ATOM 407 N TYR A 28 4.163 6.070 -3.936 1.00 1.00 N ATOM 408 CA TYR A 28 5.082 4.957 -4.300 1.00 1.00 C ATOM 409 C TYR A 28 4.325 3.633 -4.365 1.00 1.00 C ATOM 410 O TYR A 28 3.236 3.488 -3.812 1.00 1.00 O ATOM 411 CB TYR A 28 6.212 4.871 -3.250 1.00 1.00 C ATOM 412 CG TYR A 28 6.982 6.201 -3.240 1.00 1.00 C ATOM 413 CD1 TYR A 28 8.032 6.416 -4.157 1.00 1.00 C ATOM 414 CD2 TYR A 28 6.633 7.225 -2.337 1.00 1.00 C ATOM 415 CE1 TYR A 28 8.722 7.638 -4.164 1.00 1.00 C ATOM 416 CE2 TYR A 28 7.326 8.445 -2.354 1.00 1.00 C ATOM 417 CZ TYR A 28 8.369 8.649 -3.264 1.00 1.00 C ATOM 418 OH TYR A 28 9.045 9.853 -3.281 1.00 1.00 O ATOM 0 H TYR A 28 3.809 6.015 -2.981 1.00 1.00 H new ATOM 0 HA TYR A 28 5.508 5.153 -5.284 1.00 1.00 H new ATOM 0 HB2 TYR A 28 5.795 4.669 -2.263 1.00 1.00 H new ATOM 0 HB3 TYR A 28 6.885 4.047 -3.487 1.00 1.00 H new ATOM 0 HD1 TYR A 28 8.305 5.639 -4.855 1.00 1.00 H new ATOM 0 HD2 TYR A 28 5.831 7.071 -1.631 1.00 1.00 H new ATOM 0 HE1 TYR A 28 9.527 7.798 -4.866 1.00 1.00 H new ATOM 0 HE2 TYR A 28 7.054 9.229 -1.663 1.00 1.00 H new ATOM 0 HH TYR A 28 8.675 10.446 -2.594 1.00 1.00 H new ATOM 428 N GLU A 29 4.912 2.657 -5.052 1.00 1.00 N ATOM 429 CA GLU A 29 4.301 1.327 -5.212 1.00 1.00 C ATOM 430 C GLU A 29 4.694 0.403 -4.062 1.00 1.00 C ATOM 431 O GLU A 29 5.811 0.444 -3.545 1.00 1.00 O ATOM 432 CB GLU A 29 4.758 0.704 -6.554 1.00 1.00 C ATOM 433 CG GLU A 29 4.204 1.529 -7.734 1.00 1.00 C ATOM 434 CD GLU A 29 4.667 0.966 -9.081 1.00 1.00 C ATOM 435 OE1 GLU A 29 5.334 -0.058 -9.094 1.00 1.00 O ATOM 436 OE2 GLU A 29 4.348 1.577 -10.089 1.00 1.00 O ATOM 0 H GLU A 29 5.817 2.757 -5.512 1.00 1.00 H new ATOM 0 HA GLU A 29 3.217 1.444 -5.207 1.00 1.00 H new ATOM 0 HB2 GLU A 29 5.847 0.675 -6.599 1.00 1.00 H new ATOM 0 HB3 GLU A 29 4.409 -0.326 -6.624 1.00 1.00 H new ATOM 0 HG2 GLU A 29 3.115 1.534 -7.696 1.00 1.00 H new ATOM 0 HG3 GLU A 29 4.531 2.565 -7.640 1.00 1.00 H new ATOM 443 N ALA A 30 3.757 -0.457 -3.677 1.00 1.00 N ATOM 444 CA ALA A 30 3.972 -1.418 -2.597 1.00 1.00 C ATOM 445 C ALA A 30 3.081 -2.633 -2.821 1.00 1.00 C ATOM 446 O ALA A 30 2.228 -2.656 -3.708 1.00 1.00 O ATOM 447 CB ALA A 30 3.650 -0.755 -1.247 1.00 1.00 C ATOM 0 H ALA A 30 2.831 -0.509 -4.101 1.00 1.00 H new ATOM 0 HA ALA A 30 5.013 -1.740 -2.588 1.00 1.00 H new ATOM 0 HB1 ALA A 30 3.810 -1.472 -0.442 1.00 1.00 H new ATOM 0 HB2 ALA A 30 4.301 0.107 -1.100 1.00 1.00 H new ATOM 0 HB3 ALA A 30 2.610 -0.429 -1.241 1.00 1.00 H new ATOM 453 N LYS A 31 3.276 -3.675 -2.019 1.00 1.00 N ATOM 454 CA LYS A 31 2.475 -4.914 -2.147 1.00 1.00 C ATOM 455 C LYS A 31 2.150 -5.498 -0.770 1.00 1.00 C ATOM 456 O LYS A 31 2.942 -5.421 0.169 1.00 1.00 O ATOM 457 CB LYS A 31 3.253 -5.934 -3.013 1.00 1.00 C ATOM 458 CG LYS A 31 2.394 -7.233 -3.329 1.00 1.00 C ATOM 459 CD LYS A 31 2.772 -8.434 -2.392 1.00 1.00 C ATOM 460 CE LYS A 31 4.019 -9.186 -2.920 1.00 1.00 C ATOM 461 NZ LYS A 31 3.716 -9.776 -4.259 1.00 1.00 N ATOM 0 H LYS A 31 3.973 -3.699 -1.275 1.00 1.00 H new ATOM 0 HA LYS A 31 1.528 -4.682 -2.633 1.00 1.00 H new ATOM 0 HB2 LYS A 31 3.551 -5.461 -3.949 1.00 1.00 H new ATOM 0 HB3 LYS A 31 4.168 -6.223 -2.497 1.00 1.00 H new ATOM 0 HG2 LYS A 31 1.335 -7.003 -3.214 1.00 1.00 H new ATOM 0 HG3 LYS A 31 2.546 -7.523 -4.369 1.00 1.00 H new ATOM 0 HD2 LYS A 31 2.966 -8.066 -1.385 1.00 1.00 H new ATOM 0 HD3 LYS A 31 1.931 -9.123 -2.323 1.00 1.00 H new ATOM 0 HE2 LYS A 31 4.864 -8.502 -2.995 1.00 1.00 H new ATOM 0 HE3 LYS A 31 4.306 -9.972 -2.221 1.00 1.00 H new ATOM 0 HZ1 LYS A 31 4.324 -10.604 -4.419 1.00 1.00 H new ATOM 0 HZ2 LYS A 31 2.718 -10.068 -4.292 1.00 1.00 H new ATOM 0 HZ3 LYS A 31 3.894 -9.067 -4.999 1.00 1.00 H new ATOM 475 N VAL A 32 0.966 -6.090 -0.652 1.00 1.00 N ATOM 476 CA VAL A 32 0.503 -6.699 0.607 1.00 1.00 C ATOM 477 C VAL A 32 0.974 -8.157 0.672 1.00 1.00 C ATOM 478 O VAL A 32 0.507 -9.010 -0.082 1.00 1.00 O ATOM 479 CB VAL A 32 -1.060 -6.638 0.701 1.00 1.00 C ATOM 480 CG1 VAL A 32 -1.540 -7.081 2.109 1.00 1.00 C ATOM 481 CG2 VAL A 32 -1.539 -5.191 0.433 1.00 1.00 C ATOM 0 H VAL A 32 0.297 -6.165 -1.418 1.00 1.00 H new ATOM 0 HA VAL A 32 0.922 -6.143 1.446 1.00 1.00 H new ATOM 0 HB VAL A 32 -1.479 -7.314 -0.045 1.00 1.00 H new ATOM 0 HG11 VAL A 32 -2.628 -7.032 2.155 1.00 1.00 H new ATOM 0 HG12 VAL A 32 -1.215 -8.104 2.299 1.00 1.00 H new ATOM 0 HG13 VAL A 32 -1.115 -6.419 2.863 1.00 1.00 H new ATOM 0 HG21 VAL A 32 -2.626 -5.150 0.499 1.00 1.00 H new ATOM 0 HG22 VAL A 32 -1.105 -4.521 1.175 1.00 1.00 H new ATOM 0 HG23 VAL A 32 -1.224 -4.882 -0.564 1.00 1.00 H new ATOM 491 N LEU A 33 1.885 -8.450 1.595 1.00 1.00 N ATOM 492 CA LEU A 33 2.411 -9.824 1.757 1.00 1.00 C ATOM 493 C LEU A 33 1.579 -10.578 2.775 1.00 1.00 C ATOM 494 O LEU A 33 1.374 -11.782 2.627 1.00 1.00 O ATOM 495 CB LEU A 33 3.899 -9.793 2.206 1.00 1.00 C ATOM 496 CG LEU A 33 4.516 -11.224 2.397 1.00 1.00 C ATOM 497 CD1 LEU A 33 4.476 -12.054 1.082 1.00 1.00 C ATOM 498 CD2 LEU A 33 5.979 -11.082 2.897 1.00 1.00 C ATOM 0 H LEU A 33 2.279 -7.768 2.243 1.00 1.00 H new ATOM 0 HA LEU A 33 2.351 -10.333 0.795 1.00 1.00 H new ATOM 0 HB2 LEU A 33 4.484 -9.248 1.466 1.00 1.00 H new ATOM 0 HB3 LEU A 33 3.978 -9.242 3.143 1.00 1.00 H new ATOM 0 HG LEU A 33 3.918 -11.760 3.134 1.00 1.00 H new ATOM 0 HD11 LEU A 33 4.913 -13.037 1.259 1.00 1.00 H new ATOM 0 HD12 LEU A 33 3.442 -12.169 0.756 1.00 1.00 H new ATOM 0 HD13 LEU A 33 5.045 -11.538 0.309 1.00 1.00 H new ATOM 0 HD21 LEU A 33 6.415 -12.072 3.032 1.00 1.00 H new ATOM 0 HD22 LEU A 33 6.562 -10.526 2.163 1.00 1.00 H new ATOM 0 HD23 LEU A 33 5.989 -10.548 3.847 1.00 1.00 H new ATOM 510 N LYS A 34 1.121 -9.896 3.819 1.00 1.00 N ATOM 511 CA LYS A 34 0.309 -10.546 4.869 1.00 1.00 C ATOM 512 C LYS A 34 -0.651 -9.527 5.500 1.00 1.00 C ATOM 513 O LYS A 34 -0.319 -8.356 5.678 1.00 1.00 O ATOM 514 CB LYS A 34 1.248 -11.178 5.928 1.00 1.00 C ATOM 515 CG LYS A 34 0.458 -12.038 6.965 1.00 1.00 C ATOM 516 CD LYS A 34 1.366 -12.457 8.158 1.00 1.00 C ATOM 517 CE LYS A 34 2.619 -13.229 7.682 1.00 1.00 C ATOM 518 NZ LYS A 34 3.214 -13.945 8.845 1.00 1.00 N ATOM 0 H LYS A 34 1.290 -8.902 3.970 1.00 1.00 H new ATOM 0 HA LYS A 34 -0.296 -11.340 4.431 1.00 1.00 H new ATOM 0 HB2 LYS A 34 1.990 -11.801 5.430 1.00 1.00 H new ATOM 0 HB3 LYS A 34 1.791 -10.389 6.449 1.00 1.00 H new ATOM 0 HG2 LYS A 34 -0.396 -11.471 7.336 1.00 1.00 H new ATOM 0 HG3 LYS A 34 0.062 -12.928 6.476 1.00 1.00 H new ATOM 0 HD2 LYS A 34 1.674 -11.569 8.710 1.00 1.00 H new ATOM 0 HD3 LYS A 34 0.796 -13.079 8.848 1.00 1.00 H new ATOM 0 HE2 LYS A 34 2.350 -13.939 6.900 1.00 1.00 H new ATOM 0 HE3 LYS A 34 3.346 -12.540 7.251 1.00 1.00 H new ATOM 0 HZ1 LYS A 34 4.058 -14.468 8.536 1.00 1.00 H new ATOM 0 HZ2 LYS A 34 3.482 -13.256 9.577 1.00 1.00 H new ATOM 0 HZ3 LYS A 34 2.518 -14.611 9.236 1.00 1.00 H new ATOM 532 N THR A 35 -1.850 -9.995 5.835 1.00 1.00 N ATOM 533 CA THR A 35 -2.891 -9.140 6.441 1.00 1.00 C ATOM 534 C THR A 35 -3.463 -9.795 7.690 1.00 1.00 C ATOM 535 O THR A 35 -3.613 -11.016 7.762 1.00 1.00 O ATOM 536 CB THR A 35 -4.031 -8.902 5.418 1.00 1.00 C ATOM 537 OG1 THR A 35 -5.137 -8.289 6.070 1.00 1.00 O ATOM 538 CG2 THR A 35 -4.494 -10.230 4.790 1.00 1.00 C ATOM 0 H THR A 35 -2.135 -10.965 5.700 1.00 1.00 H new ATOM 0 HA THR A 35 -2.439 -8.188 6.719 1.00 1.00 H new ATOM 0 HB THR A 35 -3.651 -8.253 4.629 1.00 1.00 H new ATOM 0 HG1 THR A 35 -4.981 -7.324 6.142 1.00 1.00 H new ATOM 0 HG21 THR A 35 -5.294 -10.035 4.076 1.00 1.00 H new ATOM 0 HG22 THR A 35 -3.656 -10.701 4.276 1.00 1.00 H new ATOM 0 HG23 THR A 35 -4.860 -10.895 5.573 1.00 1.00 H new ATOM 546 N LYS A 36 -3.816 -8.971 8.671 1.00 1.00 N ATOM 547 CA LYS A 36 -4.403 -9.498 9.934 1.00 1.00 C ATOM 548 C LYS A 36 -5.873 -9.053 10.055 1.00 1.00 C ATOM 549 O LYS A 36 -6.121 -8.004 10.649 1.00 1.00 O ATOM 550 CB LYS A 36 -3.572 -8.997 11.140 1.00 1.00 C ATOM 551 CG LYS A 36 -4.090 -9.623 12.468 1.00 1.00 C ATOM 552 CD LYS A 36 -3.180 -9.219 13.646 1.00 1.00 C ATOM 553 CE LYS A 36 -3.691 -9.854 14.955 1.00 1.00 C ATOM 554 NZ LYS A 36 -3.725 -11.339 14.811 1.00 1.00 N ATOM 0 H LYS A 36 -3.716 -7.957 8.636 1.00 1.00 H new ATOM 0 HA LYS A 36 -4.377 -10.588 9.923 1.00 1.00 H new ATOM 0 HB2 LYS A 36 -2.523 -9.255 10.996 1.00 1.00 H new ATOM 0 HB3 LYS A 36 -3.628 -7.910 11.199 1.00 1.00 H new ATOM 0 HG2 LYS A 36 -5.111 -9.292 12.659 1.00 1.00 H new ATOM 0 HG3 LYS A 36 -4.118 -10.709 12.378 1.00 1.00 H new ATOM 0 HD2 LYS A 36 -2.157 -9.541 13.452 1.00 1.00 H new ATOM 0 HD3 LYS A 36 -3.159 -8.134 13.744 1.00 1.00 H new ATOM 0 HE2 LYS A 36 -3.042 -9.574 15.785 1.00 1.00 H new ATOM 0 HE3 LYS A 36 -4.687 -9.478 15.189 1.00 1.00 H new ATOM 0 HZ1 LYS A 36 -3.769 -11.778 15.753 1.00 1.00 H new ATOM 0 HZ2 LYS A 36 -4.563 -11.615 14.261 1.00 1.00 H new ATOM 0 HZ3 LYS A 36 -2.867 -11.660 14.319 1.00 1.00 H new ATOM 568 N PRO A 37 -6.825 -9.786 9.545 1.00 1.00 N ATOM 569 CA PRO A 37 -8.274 -9.392 9.634 1.00 1.00 C ATOM 570 C PRO A 37 -8.934 -9.865 10.929 1.00 1.00 C ATOM 571 O PRO A 37 -10.146 -9.738 11.092 1.00 1.00 O ATOM 572 CB PRO A 37 -8.871 -10.088 8.395 1.00 1.00 C ATOM 573 CG PRO A 37 -8.160 -11.411 8.389 1.00 1.00 C ATOM 574 CD PRO A 37 -6.700 -11.078 8.805 1.00 1.00 C ATOM 0 HA PRO A 37 -8.426 -8.313 9.651 1.00 1.00 H new ATOM 0 HB2 PRO A 37 -9.951 -10.208 8.479 1.00 1.00 H new ATOM 0 HB3 PRO A 37 -8.683 -9.523 7.482 1.00 1.00 H new ATOM 0 HG2 PRO A 37 -8.620 -12.111 9.086 1.00 1.00 H new ATOM 0 HG3 PRO A 37 -8.195 -11.874 7.403 1.00 1.00 H new ATOM 0 HD2 PRO A 37 -6.275 -11.860 9.435 1.00 1.00 H new ATOM 0 HD3 PRO A 37 -6.049 -10.980 7.936 1.00 1.00 H new ATOM 582 N ASP A 38 -8.139 -10.396 11.853 1.00 1.00 N ATOM 583 CA ASP A 38 -8.645 -10.889 13.137 1.00 1.00 C ATOM 584 C ASP A 38 -9.096 -9.726 14.033 1.00 1.00 C ATOM 585 O ASP A 38 -9.363 -9.915 15.220 1.00 1.00 O ATOM 586 CB ASP A 38 -7.530 -11.697 13.837 1.00 1.00 C ATOM 587 CG ASP A 38 -7.129 -12.915 12.997 1.00 1.00 C ATOM 588 OD1 ASP A 38 -7.976 -13.429 12.282 1.00 1.00 O ATOM 589 OD2 ASP A 38 -5.982 -13.319 13.089 1.00 1.00 O ATOM 0 H ASP A 38 -7.131 -10.498 11.737 1.00 1.00 H new ATOM 0 HA ASP A 38 -9.510 -11.527 12.958 1.00 1.00 H new ATOM 0 HB2 ASP A 38 -6.661 -11.060 13.999 1.00 1.00 H new ATOM 0 HB3 ASP A 38 -7.873 -12.024 14.818 1.00 1.00 H new ATOM 594 N ALA A 39 -9.184 -8.525 13.470 1.00 1.00 N ATOM 595 CA ALA A 39 -9.609 -7.339 14.235 1.00 1.00 C ATOM 596 C ALA A 39 -9.969 -6.174 13.306 1.00 1.00 C ATOM 597 O ALA A 39 -9.524 -6.098 12.160 1.00 1.00 O ATOM 598 CB ALA A 39 -8.484 -6.923 15.200 1.00 1.00 C ATOM 0 H ALA A 39 -8.969 -8.339 12.490 1.00 1.00 H new ATOM 0 HA ALA A 39 -10.503 -7.596 14.803 1.00 1.00 H new ATOM 0 HB1 ALA A 39 -8.797 -6.046 15.767 1.00 1.00 H new ATOM 0 HB2 ALA A 39 -8.272 -7.742 15.887 1.00 1.00 H new ATOM 0 HB3 ALA A 39 -7.585 -6.686 14.631 1.00 1.00 H new ATOM 604 N THR A 40 -10.775 -5.249 13.814 1.00 1.00 N ATOM 605 CA THR A 40 -11.222 -4.062 13.032 1.00 1.00 C ATOM 606 C THR A 40 -11.323 -2.786 13.933 1.00 1.00 C ATOM 607 O THR A 40 -12.176 -2.769 14.822 1.00 1.00 O ATOM 608 CB THR A 40 -12.612 -4.346 12.424 1.00 1.00 C ATOM 609 OG1 THR A 40 -13.558 -4.481 13.472 1.00 1.00 O ATOM 610 CG2 THR A 40 -12.584 -5.647 11.590 1.00 1.00 C ATOM 0 H THR A 40 -11.143 -5.283 14.765 1.00 1.00 H new ATOM 0 HA THR A 40 -10.485 -3.879 12.250 1.00 1.00 H new ATOM 0 HB THR A 40 -12.889 -3.518 11.772 1.00 1.00 H new ATOM 0 HG1 THR A 40 -13.195 -4.088 14.293 1.00 1.00 H new ATOM 0 HG21 THR A 40 -13.573 -5.831 11.169 1.00 1.00 H new ATOM 0 HG22 THR A 40 -11.859 -5.546 10.782 1.00 1.00 H new ATOM 0 HG23 THR A 40 -12.301 -6.483 12.229 1.00 1.00 H new ATOM 618 N PRO A 41 -10.519 -1.774 13.750 1.00 1.00 N ATOM 619 CA PRO A 41 -9.430 -1.635 12.714 1.00 1.00 C ATOM 620 C PRO A 41 -8.259 -2.559 13.033 1.00 1.00 C ATOM 621 O PRO A 41 -8.272 -3.304 14.013 1.00 1.00 O ATOM 622 CB PRO A 41 -9.038 -0.133 12.793 1.00 1.00 C ATOM 623 CG PRO A 41 -9.273 0.211 14.230 1.00 1.00 C ATOM 624 CD PRO A 41 -10.564 -0.549 14.600 1.00 1.00 C ATOM 0 HA PRO A 41 -9.746 -1.920 11.711 1.00 1.00 H new ATOM 0 HB2 PRO A 41 -7.999 0.027 12.506 1.00 1.00 H new ATOM 0 HB3 PRO A 41 -9.649 0.477 12.128 1.00 1.00 H new ATOM 0 HG2 PRO A 41 -8.436 -0.100 14.855 1.00 1.00 H new ATOM 0 HG3 PRO A 41 -9.391 1.286 14.367 1.00 1.00 H new ATOM 0 HD2 PRO A 41 -10.589 -0.800 15.660 1.00 1.00 H new ATOM 0 HD3 PRO A 41 -11.452 0.048 14.393 1.00 1.00 H new ATOM 632 N VAL A 42 -7.233 -2.508 12.190 1.00 1.00 N ATOM 633 CA VAL A 42 -6.049 -3.367 12.395 1.00 1.00 C ATOM 634 C VAL A 42 -4.901 -2.933 11.497 1.00 1.00 C ATOM 635 O VAL A 42 -5.059 -2.034 10.671 1.00 1.00 O ATOM 636 CB VAL A 42 -6.439 -4.854 12.126 1.00 1.00 C ATOM 637 CG1 VAL A 42 -6.847 -5.043 10.625 1.00 1.00 C ATOM 638 CG2 VAL A 42 -5.261 -5.816 12.522 1.00 1.00 C ATOM 0 H VAL A 42 -7.186 -1.899 11.373 1.00 1.00 H new ATOM 0 HA VAL A 42 -5.710 -3.269 13.426 1.00 1.00 H new ATOM 0 HB VAL A 42 -7.298 -5.110 12.746 1.00 1.00 H new ATOM 0 HG11 VAL A 42 -7.117 -6.084 10.450 1.00 1.00 H new ATOM 0 HG12 VAL A 42 -7.700 -4.404 10.396 1.00 1.00 H new ATOM 0 HG13 VAL A 42 -6.009 -4.773 9.983 1.00 1.00 H new ATOM 0 HG21 VAL A 42 -5.553 -6.848 12.327 1.00 1.00 H new ATOM 0 HG22 VAL A 42 -4.377 -5.571 11.933 1.00 1.00 H new ATOM 0 HG23 VAL A 42 -5.035 -5.697 13.582 1.00 1.00 H new ATOM 648 N GLU A 43 -3.732 -3.538 11.674 1.00 1.00 N ATOM 649 CA GLU A 43 -2.530 -3.252 10.890 1.00 1.00 C ATOM 650 C GLU A 43 -2.408 -4.263 9.730 1.00 1.00 C ATOM 651 O GLU A 43 -3.081 -5.290 9.658 1.00 1.00 O ATOM 652 CB GLU A 43 -1.274 -3.321 11.804 1.00 1.00 C ATOM 653 CG GLU A 43 -1.184 -4.688 12.521 1.00 1.00 C ATOM 654 CD GLU A 43 0.045 -4.729 13.438 1.00 1.00 C ATOM 655 OE1 GLU A 43 0.258 -3.763 14.152 1.00 1.00 O ATOM 656 OE2 GLU A 43 0.747 -5.727 13.416 1.00 1.00 O ATOM 0 H GLU A 43 -3.587 -4.258 12.382 1.00 1.00 H new ATOM 0 HA GLU A 43 -2.603 -2.248 10.472 1.00 1.00 H new ATOM 0 HB2 GLU A 43 -0.376 -3.160 11.207 1.00 1.00 H new ATOM 0 HB3 GLU A 43 -1.313 -2.521 12.543 1.00 1.00 H new ATOM 0 HG2 GLU A 43 -2.088 -4.860 13.105 1.00 1.00 H new ATOM 0 HG3 GLU A 43 -1.123 -5.489 11.784 1.00 1.00 H new ATOM 663 N TYR A 44 -1.508 -3.945 8.804 1.00 1.00 N ATOM 664 CA TYR A 44 -1.265 -4.784 7.621 1.00 1.00 C ATOM 665 C TYR A 44 0.232 -4.870 7.318 1.00 1.00 C ATOM 666 O TYR A 44 1.010 -3.966 7.621 1.00 1.00 O ATOM 667 CB TYR A 44 -2.031 -4.182 6.426 1.00 1.00 C ATOM 668 CG TYR A 44 -3.533 -4.158 6.759 1.00 1.00 C ATOM 669 CD1 TYR A 44 -4.096 -3.056 7.433 1.00 1.00 C ATOM 670 CD2 TYR A 44 -4.357 -5.249 6.418 1.00 1.00 C ATOM 671 CE1 TYR A 44 -5.459 -3.048 7.758 1.00 1.00 C ATOM 672 CE2 TYR A 44 -5.722 -5.233 6.742 1.00 1.00 C ATOM 673 CZ TYR A 44 -6.270 -4.134 7.412 1.00 1.00 C ATOM 674 OH TYR A 44 -7.613 -4.124 7.736 1.00 1.00 O ATOM 0 H TYR A 44 -0.928 -3.107 8.846 1.00 1.00 H new ATOM 0 HA TYR A 44 -1.619 -5.797 7.810 1.00 1.00 H new ATOM 0 HB2 TYR A 44 -1.674 -3.173 6.219 1.00 1.00 H new ATOM 0 HB3 TYR A 44 -1.853 -4.773 5.528 1.00 1.00 H new ATOM 0 HD1 TYR A 44 -3.474 -2.214 7.700 1.00 1.00 H new ATOM 0 HD2 TYR A 44 -3.936 -6.101 5.905 1.00 1.00 H new ATOM 0 HE1 TYR A 44 -5.884 -2.202 8.277 1.00 1.00 H new ATOM 0 HE2 TYR A 44 -6.350 -6.070 6.474 1.00 1.00 H new ATOM 0 HH TYR A 44 -8.148 -4.189 6.917 1.00 1.00 H new ATOM 684 N TYR A 45 0.619 -5.981 6.702 1.00 1.00 N ATOM 685 CA TYR A 45 2.046 -6.205 6.358 1.00 1.00 C ATOM 686 C TYR A 45 2.342 -5.664 4.963 1.00 1.00 C ATOM 687 O TYR A 45 2.029 -6.299 3.956 1.00 1.00 O ATOM 688 CB TYR A 45 2.398 -7.713 6.423 1.00 1.00 C ATOM 689 CG TYR A 45 3.925 -7.918 6.554 1.00 1.00 C ATOM 690 CD1 TYR A 45 4.766 -7.700 5.444 1.00 1.00 C ATOM 691 CD2 TYR A 45 4.496 -8.333 7.774 1.00 1.00 C ATOM 692 CE1 TYR A 45 6.148 -7.896 5.556 1.00 1.00 C ATOM 693 CE2 TYR A 45 5.880 -8.524 7.878 1.00 1.00 C ATOM 694 CZ TYR A 45 6.703 -8.305 6.769 1.00 1.00 C ATOM 695 OH TYR A 45 8.064 -8.497 6.869 1.00 1.00 O ATOM 0 H TYR A 45 -0.010 -6.736 6.429 1.00 1.00 H new ATOM 0 HA TYR A 45 2.659 -5.674 7.086 1.00 1.00 H new ATOM 0 HB2 TYR A 45 1.891 -8.173 7.272 1.00 1.00 H new ATOM 0 HB3 TYR A 45 2.035 -8.214 5.526 1.00 1.00 H new ATOM 0 HD1 TYR A 45 4.343 -7.380 4.503 1.00 1.00 H new ATOM 0 HD2 TYR A 45 3.864 -8.505 8.633 1.00 1.00 H new ATOM 0 HE1 TYR A 45 6.786 -7.730 4.701 1.00 1.00 H new ATOM 0 HE2 TYR A 45 6.312 -8.841 8.816 1.00 1.00 H new ATOM 0 HH TYR A 45 8.524 -7.915 6.229 1.00 1.00 H new ATOM 705 N ILE A 46 2.968 -4.493 4.920 1.00 1.00 N ATOM 706 CA ILE A 46 3.334 -3.834 3.649 1.00 1.00 C ATOM 707 C ILE A 46 4.858 -3.845 3.472 1.00 1.00 C ATOM 708 O ILE A 46 5.622 -3.676 4.424 1.00 1.00 O ATOM 709 CB ILE A 46 2.806 -2.368 3.651 1.00 1.00 C ATOM 710 CG1 ILE A 46 1.285 -2.342 4.017 1.00 1.00 C ATOM 711 CG2 ILE A 46 3.031 -1.703 2.266 1.00 1.00 C ATOM 712 CD1 ILE A 46 0.423 -3.228 3.086 1.00 1.00 C ATOM 0 H ILE A 46 3.239 -3.969 5.752 1.00 1.00 H new ATOM 0 HA ILE A 46 2.881 -4.377 2.819 1.00 1.00 H new ATOM 0 HB ILE A 46 3.361 -1.804 4.401 1.00 1.00 H new ATOM 0 HG12 ILE A 46 1.159 -2.677 5.047 1.00 1.00 H new ATOM 0 HG13 ILE A 46 0.923 -1.315 3.969 1.00 1.00 H new ATOM 0 HG21 ILE A 46 2.656 -0.680 2.288 1.00 1.00 H new ATOM 0 HG22 ILE A 46 4.096 -1.694 2.036 1.00 1.00 H new ATOM 0 HG23 ILE A 46 2.499 -2.268 1.500 1.00 1.00 H new ATOM 0 HD11 ILE A 46 -0.622 -3.168 3.391 1.00 1.00 H new ATOM 0 HD12 ILE A 46 0.522 -2.879 2.058 1.00 1.00 H new ATOM 0 HD13 ILE A 46 0.761 -4.262 3.152 1.00 1.00 H new ATOM 724 N HIS A 47 5.302 -4.034 2.234 1.00 1.00 N ATOM 725 CA HIS A 47 6.738 -4.044 1.896 1.00 1.00 C ATOM 726 C HIS A 47 6.950 -3.422 0.509 1.00 1.00 C ATOM 727 O HIS A 47 6.152 -3.627 -0.404 1.00 1.00 O ATOM 728 CB HIS A 47 7.283 -5.495 1.947 1.00 1.00 C ATOM 729 CG HIS A 47 6.735 -6.308 0.802 1.00 1.00 C ATOM 730 ND1 HIS A 47 7.492 -6.595 -0.321 1.00 1.00 N ATOM 731 CD2 HIS A 47 5.507 -6.869 0.581 1.00 1.00 C ATOM 732 CE1 HIS A 47 6.718 -7.298 -1.162 1.00 1.00 C ATOM 733 NE2 HIS A 47 5.498 -7.495 -0.661 1.00 1.00 N ATOM 0 H HIS A 47 4.688 -4.185 1.434 1.00 1.00 H new ATOM 0 HA HIS A 47 7.288 -3.449 2.625 1.00 1.00 H new ATOM 0 HB2 HIS A 47 8.372 -5.482 1.902 1.00 1.00 H new ATOM 0 HB3 HIS A 47 7.008 -5.959 2.894 1.00 1.00 H new ATOM 0 HD1 HIS A 47 8.462 -6.322 -0.480 1.00 1.00 H new ATOM 0 HD2 HIS A 47 4.673 -6.832 1.266 1.00 1.00 H new ATOM 0 HE1 HIS A 47 7.043 -7.660 -2.126 1.00 1.00 H new ATOM 742 N TYR A 48 8.037 -2.675 0.342 1.00 1.00 N ATOM 743 CA TYR A 48 8.343 -2.034 -0.942 1.00 1.00 C ATOM 744 C TYR A 48 8.838 -3.084 -1.947 1.00 1.00 C ATOM 745 O TYR A 48 9.655 -3.946 -1.625 1.00 1.00 O ATOM 746 CB TYR A 48 9.408 -0.943 -0.726 1.00 1.00 C ATOM 747 CG TYR A 48 8.851 0.104 0.249 1.00 1.00 C ATOM 748 CD1 TYR A 48 7.864 1.006 -0.192 1.00 1.00 C ATOM 749 CD2 TYR A 48 9.297 0.168 1.587 1.00 1.00 C ATOM 750 CE1 TYR A 48 7.332 1.954 0.689 1.00 1.00 C ATOM 751 CE2 TYR A 48 8.762 1.124 2.462 1.00 1.00 C ATOM 752 CZ TYR A 48 7.779 2.013 2.012 1.00 1.00 C ATOM 753 OH TYR A 48 7.245 2.947 2.877 1.00 1.00 O ATOM 0 H TYR A 48 8.723 -2.496 1.076 1.00 1.00 H new ATOM 0 HA TYR A 48 7.442 -1.573 -1.346 1.00 1.00 H new ATOM 0 HB2 TYR A 48 10.323 -1.382 -0.327 1.00 1.00 H new ATOM 0 HB3 TYR A 48 9.667 -0.475 -1.676 1.00 1.00 H new ATOM 0 HD1 TYR A 48 7.516 0.966 -1.214 1.00 1.00 H new ATOM 0 HD2 TYR A 48 10.052 -0.521 1.937 1.00 1.00 H new ATOM 0 HE1 TYR A 48 6.574 2.642 0.346 1.00 1.00 H new ATOM 0 HE2 TYR A 48 9.109 1.174 3.484 1.00 1.00 H new ATOM 0 HH TYR A 48 7.567 2.773 3.786 1.00 1.00 H new ATOM 763 N ALA A 49 8.333 -3.009 -3.174 1.00 1.00 N ATOM 764 CA ALA A 49 8.711 -3.962 -4.226 1.00 1.00 C ATOM 765 C ALA A 49 10.188 -3.795 -4.617 1.00 1.00 C ATOM 766 O ALA A 49 10.642 -2.685 -4.898 1.00 1.00 O ATOM 767 CB ALA A 49 7.816 -3.732 -5.457 1.00 1.00 C ATOM 0 H ALA A 49 7.661 -2.301 -3.470 1.00 1.00 H new ATOM 0 HA ALA A 49 8.574 -4.975 -3.848 1.00 1.00 H new ATOM 0 HB1 ALA A 49 8.090 -4.436 -6.243 1.00 1.00 H new ATOM 0 HB2 ALA A 49 6.772 -3.884 -5.182 1.00 1.00 H new ATOM 0 HB3 ALA A 49 7.951 -2.713 -5.819 1.00 1.00 H new ATOM 773 N GLY A 50 10.936 -4.893 -4.640 1.00 1.00 N ATOM 774 CA GLY A 50 12.365 -4.876 -5.001 1.00 1.00 C ATOM 775 C GLY A 50 13.241 -4.550 -3.794 1.00 1.00 C ATOM 776 O GLY A 50 14.360 -4.059 -3.939 1.00 1.00 O ATOM 0 H GLY A 50 10.579 -5.821 -4.411 1.00 1.00 H new ATOM 0 HA2 GLY A 50 12.650 -5.846 -5.408 1.00 1.00 H new ATOM 0 HA3 GLY A 50 12.535 -4.139 -5.785 1.00 1.00 H new ATOM 780 N TRP A 51 12.732 -4.827 -2.599 1.00 1.00 N ATOM 781 CA TRP A 51 13.477 -4.562 -1.343 1.00 1.00 C ATOM 782 C TRP A 51 13.279 -5.701 -0.342 1.00 1.00 C ATOM 783 O TRP A 51 12.361 -6.513 -0.446 1.00 1.00 O ATOM 784 CB TRP A 51 12.991 -3.232 -0.731 1.00 1.00 C ATOM 785 CG TRP A 51 13.283 -2.106 -1.689 1.00 1.00 C ATOM 786 CD1 TRP A 51 12.400 -1.568 -2.563 1.00 1.00 C ATOM 787 CD2 TRP A 51 14.536 -1.391 -1.885 1.00 1.00 C ATOM 788 NE1 TRP A 51 13.031 -0.566 -3.279 1.00 1.00 N ATOM 789 CE2 TRP A 51 14.349 -0.419 -2.896 1.00 1.00 C ATOM 790 CE3 TRP A 51 15.805 -1.491 -1.288 1.00 1.00 C ATOM 791 CZ2 TRP A 51 15.383 0.425 -3.301 1.00 1.00 C ATOM 792 CZ3 TRP A 51 16.852 -0.643 -1.693 1.00 1.00 C ATOM 793 CH2 TRP A 51 16.640 0.313 -2.698 1.00 1.00 C ATOM 0 H TRP A 51 11.808 -5.235 -2.458 1.00 1.00 H new ATOM 0 HA TRP A 51 14.540 -4.493 -1.573 1.00 1.00 H new ATOM 0 HB2 TRP A 51 11.922 -3.282 -0.526 1.00 1.00 H new ATOM 0 HB3 TRP A 51 13.490 -3.053 0.221 1.00 1.00 H new ATOM 0 HD1 TRP A 51 11.370 -1.872 -2.682 1.00 1.00 H new ATOM 0 HE1 TRP A 51 12.578 -0.005 -4.001 1.00 1.00 H new ATOM 0 HE3 TRP A 51 15.977 -2.224 -0.513 1.00 1.00 H new ATOM 0 HZ2 TRP A 51 15.214 1.160 -4.075 1.00 1.00 H new ATOM 0 HZ3 TRP A 51 17.823 -0.728 -1.228 1.00 1.00 H new ATOM 0 HH2 TRP A 51 17.447 0.962 -3.006 1.00 1.00 H new ATOM 804 N SER A 52 14.170 -5.755 0.642 1.00 1.00 N ATOM 805 CA SER A 52 14.116 -6.793 1.676 1.00 1.00 C ATOM 806 C SER A 52 12.824 -6.672 2.496 1.00 1.00 C ATOM 807 O SER A 52 12.429 -5.576 2.895 1.00 1.00 O ATOM 808 CB SER A 52 15.335 -6.653 2.602 1.00 1.00 C ATOM 809 OG SER A 52 16.521 -6.805 1.833 1.00 1.00 O ATOM 0 H SER A 52 14.940 -5.094 0.749 1.00 1.00 H new ATOM 0 HA SER A 52 14.129 -7.771 1.195 1.00 1.00 H new ATOM 0 HB2 SER A 52 15.326 -5.679 3.091 1.00 1.00 H new ATOM 0 HB3 SER A 52 15.298 -7.406 3.389 1.00 1.00 H new ATOM 0 HG SER A 52 17.303 -6.715 2.417 1.00 1.00 H new ATOM 815 N LYS A 53 12.174 -7.803 2.751 1.00 1.00 N ATOM 816 CA LYS A 53 10.924 -7.863 3.525 1.00 1.00 C ATOM 817 C LYS A 53 11.204 -7.888 5.026 1.00 1.00 C ATOM 818 O LYS A 53 10.277 -7.843 5.835 1.00 1.00 O ATOM 819 CB LYS A 53 10.085 -9.090 3.097 1.00 1.00 C ATOM 820 CG LYS A 53 10.865 -10.405 3.328 1.00 1.00 C ATOM 821 CD LYS A 53 10.018 -11.608 2.851 1.00 1.00 C ATOM 822 CE LYS A 53 10.799 -12.917 3.051 1.00 1.00 C ATOM 823 NZ LYS A 53 11.133 -13.073 4.494 1.00 1.00 N ATOM 0 H LYS A 53 12.497 -8.715 2.427 1.00 1.00 H new ATOM 0 HA LYS A 53 10.349 -6.961 3.314 1.00 1.00 H new ATOM 0 HB2 LYS A 53 9.153 -9.112 3.662 1.00 1.00 H new ATOM 0 HB3 LYS A 53 9.818 -9.002 2.044 1.00 1.00 H new ATOM 0 HG2 LYS A 53 11.811 -10.377 2.787 1.00 1.00 H new ATOM 0 HG3 LYS A 53 11.106 -10.515 4.385 1.00 1.00 H new ATOM 0 HD2 LYS A 53 9.081 -11.646 3.407 1.00 1.00 H new ATOM 0 HD3 LYS A 53 9.760 -11.487 1.799 1.00 1.00 H new ATOM 0 HE2 LYS A 53 10.205 -13.765 2.709 1.00 1.00 H new ATOM 0 HE3 LYS A 53 11.711 -12.905 2.454 1.00 1.00 H new ATOM 0 HZ1 LYS A 53 11.396 -14.061 4.685 1.00 1.00 H new ATOM 0 HZ2 LYS A 53 11.930 -12.450 4.735 1.00 1.00 H new ATOM 0 HZ3 LYS A 53 10.307 -12.817 5.071 1.00 1.00 H new ATOM 837 N ASN A 54 12.472 -7.973 5.414 1.00 1.00 N ATOM 838 CA ASN A 54 12.865 -8.019 6.826 1.00 1.00 C ATOM 839 C ASN A 54 12.597 -6.675 7.498 1.00 1.00 C ATOM 840 O ASN A 54 12.615 -6.571 8.724 1.00 1.00 O ATOM 841 CB ASN A 54 14.362 -8.389 6.931 1.00 1.00 C ATOM 842 CG ASN A 54 15.226 -7.395 6.150 1.00 1.00 C ATOM 843 OD1 ASN A 54 14.778 -6.297 5.819 1.00 1.00 O ATOM 844 ND2 ASN A 54 16.446 -7.725 5.829 1.00 1.00 N ATOM 0 H ASN A 54 13.257 -8.012 4.764 1.00 1.00 H new ATOM 0 HA ASN A 54 12.273 -8.777 7.339 1.00 1.00 H new ATOM 0 HB2 ASN A 54 14.666 -8.397 7.978 1.00 1.00 H new ATOM 0 HB3 ASN A 54 14.520 -9.396 6.545 1.00 1.00 H new ATOM 0 HD21 ASN A 54 17.029 -7.073 5.304 1.00 1.00 H new ATOM 0 HD22 ASN A 54 16.817 -8.635 6.103 1.00 1.00 H new ATOM 851 N TRP A 55 12.344 -5.647 6.697 1.00 1.00 N ATOM 852 CA TRP A 55 12.065 -4.304 7.207 1.00 1.00 C ATOM 853 C TRP A 55 10.719 -4.295 7.937 1.00 1.00 C ATOM 854 O TRP A 55 10.501 -3.500 8.852 1.00 1.00 O ATOM 855 CB TRP A 55 12.053 -3.301 6.032 1.00 1.00 C ATOM 856 CG TRP A 55 11.975 -1.888 6.539 1.00 1.00 C ATOM 857 CD1 TRP A 55 10.870 -1.300 7.049 1.00 1.00 C ATOM 858 CD2 TRP A 55 13.032 -0.885 6.588 1.00 1.00 C ATOM 859 NE1 TRP A 55 11.178 0.000 7.405 1.00 1.00 N ATOM 860 CE2 TRP A 55 12.499 0.304 7.142 1.00 1.00 C ATOM 861 CE3 TRP A 55 14.386 -0.890 6.209 1.00 1.00 C ATOM 862 CZ2 TRP A 55 13.281 1.445 7.314 1.00 1.00 C ATOM 863 CZ3 TRP A 55 15.179 0.258 6.380 1.00 1.00 C ATOM 864 CH2 TRP A 55 14.627 1.424 6.933 1.00 1.00 C ATOM 0 H TRP A 55 12.326 -5.717 5.680 1.00 1.00 H new ATOM 0 HA TRP A 55 12.842 -4.011 7.913 1.00 1.00 H new ATOM 0 HB2 TRP A 55 12.953 -3.427 5.430 1.00 1.00 H new ATOM 0 HB3 TRP A 55 11.203 -3.506 5.381 1.00 1.00 H new ATOM 0 HD1 TRP A 55 9.904 -1.769 7.160 1.00 1.00 H new ATOM 0 HE1 TRP A 55 10.511 0.655 7.812 1.00 1.00 H new ATOM 0 HE3 TRP A 55 14.820 -1.783 5.783 1.00 1.00 H new ATOM 0 HZ2 TRP A 55 12.850 2.340 7.739 1.00 1.00 H new ATOM 0 HZ3 TRP A 55 16.218 0.243 6.085 1.00 1.00 H new ATOM 0 HH2 TRP A 55 15.240 2.303 7.064 1.00 1.00 H new ATOM 875 N ASP A 56 9.821 -5.182 7.524 1.00 1.00 N ATOM 876 CA ASP A 56 8.479 -5.324 8.115 1.00 1.00 C ATOM 877 C ASP A 56 7.801 -3.969 8.377 1.00 1.00 C ATOM 878 O ASP A 56 7.696 -3.534 9.525 1.00 1.00 O ATOM 879 CB ASP A 56 8.577 -6.129 9.430 1.00 1.00 C ATOM 880 CG ASP A 56 9.219 -7.495 9.186 1.00 1.00 C ATOM 881 OD1 ASP A 56 10.101 -7.577 8.347 1.00 1.00 O ATOM 882 OD2 ASP A 56 8.815 -8.442 9.841 1.00 1.00 O ATOM 0 H ASP A 56 9.998 -5.835 6.760 1.00 1.00 H new ATOM 0 HA ASP A 56 7.858 -5.855 7.393 1.00 1.00 H new ATOM 0 HB2 ASP A 56 9.164 -5.572 10.160 1.00 1.00 H new ATOM 0 HB3 ASP A 56 7.582 -6.261 9.856 1.00 1.00 H new ATOM 887 N GLU A 57 7.335 -3.290 7.334 1.00 1.00 N ATOM 888 CA GLU A 57 6.681 -1.980 7.494 1.00 1.00 C ATOM 889 C GLU A 57 5.196 -2.165 7.820 1.00 1.00 C ATOM 890 O GLU A 57 4.347 -2.112 6.931 1.00 1.00 O ATOM 891 CB GLU A 57 6.850 -1.140 6.196 1.00 1.00 C ATOM 892 CG GLU A 57 6.380 0.319 6.414 1.00 1.00 C ATOM 893 CD GLU A 57 6.541 1.147 5.135 1.00 1.00 C ATOM 894 OE1 GLU A 57 6.581 0.562 4.066 1.00 1.00 O ATOM 895 OE2 GLU A 57 6.590 2.361 5.247 1.00 1.00 O ATOM 0 H GLU A 57 7.394 -3.617 6.370 1.00 1.00 H new ATOM 0 HA GLU A 57 7.153 -1.448 8.320 1.00 1.00 H new ATOM 0 HB2 GLU A 57 7.895 -1.147 5.888 1.00 1.00 H new ATOM 0 HB3 GLU A 57 6.276 -1.594 5.388 1.00 1.00 H new ATOM 0 HG2 GLU A 57 5.336 0.325 6.726 1.00 1.00 H new ATOM 0 HG3 GLU A 57 6.956 0.773 7.220 1.00 1.00 H new ATOM 902 N TRP A 58 4.876 -2.350 9.096 1.00 1.00 N ATOM 903 CA TRP A 58 3.491 -2.512 9.556 1.00 1.00 C ATOM 904 C TRP A 58 2.836 -1.122 9.608 1.00 1.00 C ATOM 905 O TRP A 58 3.297 -0.226 10.316 1.00 1.00 O ATOM 906 CB TRP A 58 3.471 -3.189 10.983 1.00 1.00 C ATOM 907 CG TRP A 58 3.325 -4.687 10.888 1.00 1.00 C ATOM 908 CD1 TRP A 58 2.237 -5.326 10.395 1.00 1.00 C ATOM 909 CD2 TRP A 58 4.259 -5.732 11.298 1.00 1.00 C ATOM 910 NE1 TRP A 58 2.445 -6.690 10.470 1.00 1.00 N ATOM 911 CE2 TRP A 58 3.675 -6.992 11.017 1.00 1.00 C ATOM 912 CE3 TRP A 58 5.541 -5.710 11.875 1.00 1.00 C ATOM 913 CZ2 TRP A 58 4.338 -8.187 11.299 1.00 1.00 C ATOM 914 CZ3 TRP A 58 6.212 -6.911 12.162 1.00 1.00 C ATOM 915 CH2 TRP A 58 5.613 -8.147 11.873 1.00 1.00 C ATOM 0 H TRP A 58 5.566 -2.393 9.846 1.00 1.00 H new ATOM 0 HA TRP A 58 2.937 -3.155 8.871 1.00 1.00 H new ATOM 0 HB2 TRP A 58 4.391 -2.946 11.514 1.00 1.00 H new ATOM 0 HB3 TRP A 58 2.648 -2.780 11.568 1.00 1.00 H new ATOM 0 HD1 TRP A 58 1.351 -4.847 10.006 1.00 1.00 H new ATOM 0 HE1 TRP A 58 1.771 -7.389 10.159 1.00 1.00 H new ATOM 0 HE3 TRP A 58 6.013 -4.765 12.099 1.00 1.00 H new ATOM 0 HZ2 TRP A 58 3.871 -9.135 11.076 1.00 1.00 H new ATOM 0 HZ3 TRP A 58 7.195 -6.883 12.608 1.00 1.00 H new ATOM 0 HH2 TRP A 58 6.136 -9.066 12.094 1.00 1.00 H new ATOM 926 N VAL A 59 1.742 -0.943 8.875 1.00 1.00 N ATOM 927 CA VAL A 59 1.040 0.376 8.846 1.00 1.00 C ATOM 928 C VAL A 59 -0.507 0.215 8.771 1.00 1.00 C ATOM 929 O VAL A 59 -0.994 -0.773 8.219 1.00 1.00 O ATOM 930 CB VAL A 59 1.562 1.224 7.619 1.00 1.00 C ATOM 931 CG1 VAL A 59 2.925 1.888 7.950 1.00 1.00 C ATOM 932 CG2 VAL A 59 1.716 0.317 6.369 1.00 1.00 C ATOM 0 H VAL A 59 1.314 -1.666 8.297 1.00 1.00 H new ATOM 0 HA VAL A 59 1.264 0.896 9.778 1.00 1.00 H new ATOM 0 HB VAL A 59 0.832 2.006 7.411 1.00 1.00 H new ATOM 0 HG11 VAL A 59 3.266 2.467 7.092 1.00 1.00 H new ATOM 0 HG12 VAL A 59 2.809 2.548 8.810 1.00 1.00 H new ATOM 0 HG13 VAL A 59 3.659 1.116 8.182 1.00 1.00 H new ATOM 0 HG21 VAL A 59 2.076 0.912 5.530 1.00 1.00 H new ATOM 0 HG22 VAL A 59 2.430 -0.479 6.582 1.00 1.00 H new ATOM 0 HG23 VAL A 59 0.750 -0.120 6.116 1.00 1.00 H new ATOM 942 N PRO A 60 -1.249 1.161 9.277 1.00 1.00 N ATOM 943 CA PRO A 60 -2.758 1.093 9.230 1.00 1.00 C ATOM 944 C PRO A 60 -3.297 1.303 7.807 1.00 1.00 C ATOM 945 O PRO A 60 -2.613 1.822 6.923 1.00 1.00 O ATOM 946 CB PRO A 60 -3.197 2.237 10.186 1.00 1.00 C ATOM 947 CG PRO A 60 -2.111 3.255 10.012 1.00 1.00 C ATOM 948 CD PRO A 60 -0.820 2.420 9.973 1.00 1.00 C ATOM 0 HA PRO A 60 -3.146 0.119 9.527 1.00 1.00 H new ATOM 0 HB2 PRO A 60 -4.174 2.638 9.914 1.00 1.00 H new ATOM 0 HB3 PRO A 60 -3.269 1.895 11.219 1.00 1.00 H new ATOM 0 HG2 PRO A 60 -2.244 3.827 9.094 1.00 1.00 H new ATOM 0 HG3 PRO A 60 -2.099 3.970 10.834 1.00 1.00 H new ATOM 0 HD2 PRO A 60 -0.026 2.931 9.429 1.00 1.00 H new ATOM 0 HD3 PRO A 60 -0.441 2.218 10.975 1.00 1.00 H new ATOM 956 N GLU A 61 -4.542 0.893 7.591 1.00 1.00 N ATOM 957 CA GLU A 61 -5.200 1.026 6.285 1.00 1.00 C ATOM 958 C GLU A 61 -5.181 2.482 5.790 1.00 1.00 C ATOM 959 O GLU A 61 -5.396 2.760 4.609 1.00 1.00 O ATOM 960 CB GLU A 61 -6.662 0.518 6.390 1.00 1.00 C ATOM 961 CG GLU A 61 -7.411 1.257 7.524 1.00 1.00 C ATOM 962 CD GLU A 61 -8.846 0.735 7.641 1.00 1.00 C ATOM 963 OE1 GLU A 61 -9.619 0.988 6.732 1.00 1.00 O ATOM 964 OE2 GLU A 61 -9.148 0.091 8.632 1.00 1.00 O ATOM 0 H GLU A 61 -5.125 0.461 8.308 1.00 1.00 H new ATOM 0 HA GLU A 61 -4.651 0.424 5.561 1.00 1.00 H new ATOM 0 HB2 GLU A 61 -7.177 0.676 5.442 1.00 1.00 H new ATOM 0 HB3 GLU A 61 -6.668 -0.555 6.581 1.00 1.00 H new ATOM 0 HG2 GLU A 61 -6.887 1.114 8.469 1.00 1.00 H new ATOM 0 HG3 GLU A 61 -7.422 2.328 7.324 1.00 1.00 H new ATOM 971 N ASN A 62 -4.926 3.416 6.700 1.00 1.00 N ATOM 972 CA ASN A 62 -4.898 4.845 6.364 1.00 1.00 C ATOM 973 C ASN A 62 -3.808 5.167 5.330 1.00 1.00 C ATOM 974 O ASN A 62 -4.026 5.972 4.425 1.00 1.00 O ATOM 975 CB ASN A 62 -4.668 5.674 7.643 1.00 1.00 C ATOM 976 CG ASN A 62 -5.731 5.328 8.688 1.00 1.00 C ATOM 977 OD1 ASN A 62 -6.926 5.339 8.388 1.00 1.00 O ATOM 978 ND2 ASN A 62 -5.368 5.018 9.906 1.00 1.00 N ATOM 0 H ASN A 62 -4.734 3.213 7.681 1.00 1.00 H new ATOM 0 HA ASN A 62 -5.860 5.104 5.922 1.00 1.00 H new ATOM 0 HB2 ASN A 62 -3.674 5.473 8.043 1.00 1.00 H new ATOM 0 HB3 ASN A 62 -4.709 6.738 7.409 1.00 1.00 H new ATOM 0 HD21 ASN A 62 -6.074 4.786 10.605 1.00 1.00 H new ATOM 0 HD22 ASN A 62 -4.379 5.008 10.157 1.00 1.00 H new ATOM 985 N ARG A 63 -2.638 4.549 5.458 1.00 1.00 N ATOM 986 CA ARG A 63 -1.511 4.786 4.529 1.00 1.00 C ATOM 987 C ARG A 63 -1.583 3.840 3.333 1.00 1.00 C ATOM 988 O ARG A 63 -0.751 3.916 2.430 1.00 1.00 O ATOM 989 CB ARG A 63 -0.172 4.577 5.273 1.00 1.00 C ATOM 990 CG ARG A 63 -0.006 5.644 6.378 1.00 1.00 C ATOM 991 CD ARG A 63 1.317 5.432 7.136 1.00 1.00 C ATOM 992 NE ARG A 63 1.451 6.441 8.190 1.00 1.00 N ATOM 993 CZ ARG A 63 2.498 6.467 9.022 1.00 1.00 C ATOM 994 NH1 ARG A 63 3.456 5.583 8.916 1.00 1.00 N ATOM 995 NH2 ARG A 63 2.562 7.384 9.948 1.00 1.00 N ATOM 0 H ARG A 63 -2.434 3.875 6.196 1.00 1.00 H new ATOM 0 HA ARG A 63 -1.575 5.811 4.164 1.00 1.00 H new ATOM 0 HB2 ARG A 63 -0.143 3.580 5.712 1.00 1.00 H new ATOM 0 HB3 ARG A 63 0.658 4.639 4.569 1.00 1.00 H new ATOM 0 HG2 ARG A 63 -0.023 6.640 5.936 1.00 1.00 H new ATOM 0 HG3 ARG A 63 -0.843 5.589 7.074 1.00 1.00 H new ATOM 0 HD2 ARG A 63 1.342 4.433 7.571 1.00 1.00 H new ATOM 0 HD3 ARG A 63 2.158 5.500 6.445 1.00 1.00 H new ATOM 0 HE ARG A 63 0.722 7.147 8.293 1.00 1.00 H new ATOM 0 HH11 ARG A 63 3.409 4.865 8.194 1.00 1.00 H new ATOM 0 HH12 ARG A 63 4.250 5.612 9.556 1.00 1.00 H new ATOM 0 HH21 ARG A 63 1.817 8.075 10.034 1.00 1.00 H new ATOM 0 HH22 ARG A 63 3.357 7.410 10.586 1.00 1.00 H new ATOM 1009 N VAL A 64 -2.578 2.958 3.305 1.00 1.00 N ATOM 1010 CA VAL A 64 -2.750 1.982 2.201 1.00 1.00 C ATOM 1011 C VAL A 64 -4.068 2.255 1.463 1.00 1.00 C ATOM 1012 O VAL A 64 -5.109 2.540 2.055 1.00 1.00 O ATOM 1013 CB VAL A 64 -2.737 0.527 2.757 1.00 1.00 C ATOM 1014 CG1 VAL A 64 -2.730 -0.499 1.593 1.00 1.00 C ATOM 1015 CG2 VAL A 64 -1.481 0.318 3.637 1.00 1.00 C ATOM 0 H VAL A 64 -3.289 2.889 4.033 1.00 1.00 H new ATOM 0 HA VAL A 64 -1.922 2.093 1.501 1.00 1.00 H new ATOM 0 HB VAL A 64 -3.635 0.374 3.356 1.00 1.00 H new ATOM 0 HG11 VAL A 64 -2.721 -1.510 1.999 1.00 1.00 H new ATOM 0 HG12 VAL A 64 -3.622 -0.362 0.982 1.00 1.00 H new ATOM 0 HG13 VAL A 64 -1.842 -0.347 0.979 1.00 1.00 H new ATOM 0 HG21 VAL A 64 -1.474 -0.701 4.025 1.00 1.00 H new ATOM 0 HG22 VAL A 64 -0.585 0.484 3.038 1.00 1.00 H new ATOM 0 HG23 VAL A 64 -1.498 1.023 4.468 1.00 1.00 H new ATOM 1025 N LEU A 65 -4.014 2.163 0.138 1.00 1.00 N ATOM 1026 CA LEU A 65 -5.202 2.393 -0.713 1.00 1.00 C ATOM 1027 C LEU A 65 -5.258 1.364 -1.840 1.00 1.00 C ATOM 1028 O LEU A 65 -4.258 0.753 -2.215 1.00 1.00 O ATOM 1029 CB LEU A 65 -5.172 3.835 -1.295 1.00 1.00 C ATOM 1030 CG LEU A 65 -3.820 4.118 -2.074 1.00 1.00 C ATOM 1031 CD1 LEU A 65 -4.088 4.964 -3.337 1.00 1.00 C ATOM 1032 CD2 LEU A 65 -2.808 4.866 -1.168 1.00 1.00 C ATOM 0 H LEU A 65 -3.166 1.932 -0.380 1.00 1.00 H new ATOM 0 HA LEU A 65 -6.097 2.282 -0.101 1.00 1.00 H new ATOM 0 HB2 LEU A 65 -6.018 3.975 -1.969 1.00 1.00 H new ATOM 0 HB3 LEU A 65 -5.286 4.557 -0.487 1.00 1.00 H new ATOM 0 HG LEU A 65 -3.398 3.156 -2.365 1.00 1.00 H new ATOM 0 HD11 LEU A 65 -3.148 5.148 -3.858 1.00 1.00 H new ATOM 0 HD12 LEU A 65 -4.770 4.427 -3.997 1.00 1.00 H new ATOM 0 HD13 LEU A 65 -4.535 5.915 -3.049 1.00 1.00 H new ATOM 0 HD21 LEU A 65 -1.888 5.049 -1.724 1.00 1.00 H new ATOM 0 HD22 LEU A 65 -3.236 5.817 -0.852 1.00 1.00 H new ATOM 0 HD23 LEU A 65 -2.587 4.258 -0.291 1.00 1.00 H new ATOM 1044 N LYS A 66 -6.454 1.175 -2.392 1.00 1.00 N ATOM 1045 CA LYS A 66 -6.663 0.220 -3.476 1.00 1.00 C ATOM 1046 C LYS A 66 -6.005 0.721 -4.763 1.00 1.00 C ATOM 1047 O LYS A 66 -5.833 1.920 -4.979 1.00 1.00 O ATOM 1048 CB LYS A 66 -8.179 0.030 -3.705 1.00 1.00 C ATOM 1049 CG LYS A 66 -8.844 -0.563 -2.438 1.00 1.00 C ATOM 1050 CD LYS A 66 -10.385 -0.665 -2.612 1.00 1.00 C ATOM 1051 CE LYS A 66 -10.776 -1.674 -3.722 1.00 1.00 C ATOM 1052 NZ LYS A 66 -12.225 -2.001 -3.591 1.00 1.00 N ATOM 0 H LYS A 66 -7.296 1.673 -2.104 1.00 1.00 H new ATOM 0 HA LYS A 66 -6.210 -0.733 -3.202 1.00 1.00 H new ATOM 0 HB2 LYS A 66 -8.639 0.987 -3.951 1.00 1.00 H new ATOM 0 HB3 LYS A 66 -8.345 -0.632 -4.555 1.00 1.00 H new ATOM 0 HG2 LYS A 66 -8.431 -1.551 -2.235 1.00 1.00 H new ATOM 0 HG3 LYS A 66 -8.613 0.062 -1.575 1.00 1.00 H new ATOM 0 HD2 LYS A 66 -10.837 -0.970 -1.668 1.00 1.00 H new ATOM 0 HD3 LYS A 66 -10.789 0.318 -2.856 1.00 1.00 H new ATOM 0 HE2 LYS A 66 -10.573 -1.250 -4.705 1.00 1.00 H new ATOM 0 HE3 LYS A 66 -10.176 -2.580 -3.636 1.00 1.00 H new ATOM 0 HZ1 LYS A 66 -12.497 -2.678 -4.332 1.00 1.00 H new ATOM 0 HZ2 LYS A 66 -12.403 -2.421 -2.656 1.00 1.00 H new ATOM 0 HZ3 LYS A 66 -12.788 -1.132 -3.693 1.00 1.00 H new ATOM 1066 N TYR A 67 -5.649 -0.226 -5.627 1.00 1.00 N ATOM 1067 CA TYR A 67 -5.014 0.098 -6.916 1.00 1.00 C ATOM 1068 C TYR A 67 -6.098 0.330 -7.981 1.00 1.00 C ATOM 1069 O TYR A 67 -6.860 -0.572 -8.331 1.00 1.00 O ATOM 1070 CB TYR A 67 -4.093 -1.069 -7.341 1.00 1.00 C ATOM 1071 CG TYR A 67 -3.356 -0.714 -8.644 1.00 1.00 C ATOM 1072 CD1 TYR A 67 -3.940 -1.008 -9.893 1.00 1.00 C ATOM 1073 CD2 TYR A 67 -2.105 -0.068 -8.602 1.00 1.00 C ATOM 1074 CE1 TYR A 67 -3.277 -0.664 -11.077 1.00 1.00 C ATOM 1075 CE2 TYR A 67 -1.451 0.277 -9.792 1.00 1.00 C ATOM 1076 CZ TYR A 67 -2.035 -0.021 -11.027 1.00 1.00 C ATOM 1077 OH TYR A 67 -1.389 0.322 -12.197 1.00 1.00 O ATOM 0 H TYR A 67 -5.786 -1.224 -5.465 1.00 1.00 H new ATOM 0 HA TYR A 67 -4.419 1.005 -6.814 1.00 1.00 H new ATOM 0 HB2 TYR A 67 -3.371 -1.279 -6.552 1.00 1.00 H new ATOM 0 HB3 TYR A 67 -4.683 -1.975 -7.483 1.00 1.00 H new ATOM 0 HD1 TYR A 67 -4.901 -1.500 -9.936 1.00 1.00 H new ATOM 0 HD2 TYR A 67 -1.649 0.162 -7.650 1.00 1.00 H new ATOM 0 HE1 TYR A 67 -3.725 -0.896 -12.032 1.00 1.00 H new ATOM 0 HE2 TYR A 67 -0.493 0.775 -9.755 1.00 1.00 H new ATOM 0 HH TYR A 67 -0.539 0.762 -11.985 1.00 1.00 H new ATOM 1087 N ASN A 68 -6.156 1.550 -8.504 1.00 1.00 N ATOM 1088 CA ASN A 68 -7.155 1.902 -9.534 1.00 1.00 C ATOM 1089 C ASN A 68 -6.634 3.030 -10.419 1.00 1.00 C ATOM 1090 O ASN A 68 -5.856 3.875 -9.972 1.00 1.00 O ATOM 1091 CB ASN A 68 -8.471 2.332 -8.854 1.00 1.00 C ATOM 1092 CG ASN A 68 -9.025 1.192 -8.001 1.00 1.00 C ATOM 1093 OD1 ASN A 68 -9.341 0.060 -8.570 1.00 1.00 O flip ATOM 1094 ND2 ASN A 68 -9.172 1.336 -6.788 1.00 1.00 N flip ATOM 0 H ASN A 68 -5.533 2.314 -8.241 1.00 1.00 H new ATOM 0 HA ASN A 68 -7.339 1.028 -10.159 1.00 1.00 H new ATOM 0 HB2 ASN A 68 -8.297 3.209 -8.231 1.00 1.00 H new ATOM 0 HB3 ASN A 68 -9.202 2.618 -9.610 1.00 1.00 H new ATOM 0 HD21 ASN A 68 -8.924 2.221 -6.346 1.00 1.00 H new ATOM 0 HD22 ASN A 68 -9.541 0.570 -6.225 1.00 1.00 H new ATOM 1101 N ASP A 69 -7.080 3.036 -11.671 1.00 1.00 N ATOM 1102 CA ASP A 69 -6.666 4.058 -12.636 1.00 1.00 C ATOM 1103 C ASP A 69 -6.780 5.472 -12.046 1.00 1.00 C ATOM 1104 O ASP A 69 -6.086 6.392 -12.478 1.00 1.00 O ATOM 1105 CB ASP A 69 -7.529 3.942 -13.909 1.00 1.00 C ATOM 1106 CG ASP A 69 -7.037 4.910 -14.996 1.00 1.00 C ATOM 1107 OD1 ASP A 69 -5.839 4.957 -15.217 1.00 1.00 O ATOM 1108 OD2 ASP A 69 -7.867 5.585 -15.582 1.00 1.00 O ATOM 0 H ASP A 69 -7.730 2.344 -12.045 1.00 1.00 H new ATOM 0 HA ASP A 69 -5.618 3.889 -12.884 1.00 1.00 H new ATOM 0 HB2 ASP A 69 -7.494 2.919 -14.285 1.00 1.00 H new ATOM 0 HB3 ASP A 69 -8.570 4.158 -13.668 1.00 1.00 H new ATOM 1113 N ASP A 70 -7.654 5.644 -11.060 1.00 1.00 N ATOM 1114 CA ASP A 70 -7.851 6.942 -10.405 1.00 1.00 C ATOM 1115 C ASP A 70 -6.672 7.256 -9.489 1.00 1.00 C ATOM 1116 O ASP A 70 -6.131 8.362 -9.528 1.00 1.00 O ATOM 1117 CB ASP A 70 -9.162 6.923 -9.598 1.00 1.00 C ATOM 1118 CG ASP A 70 -10.334 6.594 -10.525 1.00 1.00 C ATOM 1119 OD1 ASP A 70 -10.405 7.190 -11.587 1.00 1.00 O ATOM 1120 OD2 ASP A 70 -11.140 5.752 -10.161 1.00 1.00 O ATOM 0 H ASP A 70 -8.243 4.898 -10.691 1.00 1.00 H new ATOM 0 HA ASP A 70 -7.913 7.719 -11.167 1.00 1.00 H new ATOM 0 HB2 ASP A 70 -9.098 6.183 -8.800 1.00 1.00 H new ATOM 0 HB3 ASP A 70 -9.322 7.891 -9.123 1.00 1.00 H new ATOM 1125 N ASN A 71 -6.262 6.302 -8.660 1.00 1.00 N ATOM 1126 CA ASN A 71 -5.129 6.500 -7.752 1.00 1.00 C ATOM 1127 C ASN A 71 -3.853 6.703 -8.574 1.00 1.00 C ATOM 1128 O ASN A 71 -2.961 7.464 -8.198 1.00 1.00 O ATOM 1129 CB ASN A 71 -4.994 5.297 -6.818 1.00 1.00 C ATOM 1130 CG ASN A 71 -6.316 5.068 -6.083 1.00 1.00 C ATOM 1131 OD1 ASN A 71 -6.930 3.923 -6.199 1.00 1.00 O flip ATOM 1132 ND2 ASN A 71 -6.799 5.959 -5.386 1.00 1.00 N flip ATOM 0 H ASN A 71 -6.696 5.381 -8.595 1.00 1.00 H new ATOM 0 HA ASN A 71 -5.296 7.386 -7.140 1.00 1.00 H new ATOM 0 HB2 ASN A 71 -4.725 4.408 -7.389 1.00 1.00 H new ATOM 0 HB3 ASN A 71 -4.192 5.469 -6.100 1.00 1.00 H new ATOM 0 HD21 ASN A 71 -6.318 6.854 -5.296 1.00 1.00 H new ATOM 0 HD22 ASN A 71 -7.681 5.803 -4.898 1.00 1.00 H new ATOM 1139 N VAL A 72 -3.782 6.022 -9.713 1.00 1.00 N ATOM 1140 CA VAL A 72 -2.636 6.152 -10.625 1.00 1.00 C ATOM 1141 C VAL A 72 -2.652 7.581 -11.186 1.00 1.00 C ATOM 1142 O VAL A 72 -1.611 8.224 -11.311 1.00 1.00 O ATOM 1143 CB VAL A 72 -2.728 5.101 -11.767 1.00 1.00 C ATOM 1144 CG1 VAL A 72 -1.571 5.282 -12.792 1.00 1.00 C ATOM 1145 CG2 VAL A 72 -2.659 3.675 -11.165 1.00 1.00 C ATOM 0 H VAL A 72 -4.501 5.373 -10.032 1.00 1.00 H new ATOM 0 HA VAL A 72 -1.701 5.969 -10.096 1.00 1.00 H new ATOM 0 HB VAL A 72 -3.675 5.244 -12.286 1.00 1.00 H new ATOM 0 HG11 VAL A 72 -1.662 4.533 -13.579 1.00 1.00 H new ATOM 0 HG12 VAL A 72 -1.626 6.278 -13.231 1.00 1.00 H new ATOM 0 HG13 VAL A 72 -0.614 5.162 -12.285 1.00 1.00 H new ATOM 0 HG21 VAL A 72 -2.724 2.938 -11.966 1.00 1.00 H new ATOM 0 HG22 VAL A 72 -1.716 3.550 -10.632 1.00 1.00 H new ATOM 0 HG23 VAL A 72 -3.489 3.532 -10.473 1.00 1.00 H new ATOM 1155 N LYS A 73 -3.843 8.067 -11.519 1.00 1.00 N ATOM 1156 CA LYS A 73 -4.030 9.416 -12.065 1.00 1.00 C ATOM 1157 C LYS A 73 -3.493 10.457 -11.067 1.00 1.00 C ATOM 1158 O LYS A 73 -2.885 11.455 -11.454 1.00 1.00 O ATOM 1159 CB LYS A 73 -5.534 9.657 -12.350 1.00 1.00 C ATOM 1160 CG LYS A 73 -5.774 11.000 -13.086 1.00 1.00 C ATOM 1161 CD LYS A 73 -7.289 11.176 -13.355 1.00 1.00 C ATOM 1162 CE LYS A 73 -7.562 12.491 -14.097 1.00 1.00 C ATOM 1163 NZ LYS A 73 -9.030 12.622 -14.324 1.00 1.00 N ATOM 0 H LYS A 73 -4.710 7.540 -11.420 1.00 1.00 H new ATOM 0 HA LYS A 73 -3.478 9.514 -13.000 1.00 1.00 H new ATOM 0 HB2 LYS A 73 -5.925 8.838 -12.953 1.00 1.00 H new ATOM 0 HB3 LYS A 73 -6.087 9.654 -11.411 1.00 1.00 H new ATOM 0 HG2 LYS A 73 -5.402 11.829 -12.484 1.00 1.00 H new ATOM 0 HG3 LYS A 73 -5.222 11.016 -14.026 1.00 1.00 H new ATOM 0 HD2 LYS A 73 -7.658 10.337 -13.945 1.00 1.00 H new ATOM 0 HD3 LYS A 73 -7.834 11.166 -12.411 1.00 1.00 H new ATOM 0 HE2 LYS A 73 -7.194 13.336 -13.515 1.00 1.00 H new ATOM 0 HE3 LYS A 73 -7.031 12.504 -15.049 1.00 1.00 H new ATOM 0 HZ1 LYS A 73 -9.226 13.511 -14.827 1.00 1.00 H new ATOM 0 HZ2 LYS A 73 -9.366 11.820 -14.895 1.00 1.00 H new ATOM 0 HZ3 LYS A 73 -9.524 12.626 -13.409 1.00 1.00 H new ATOM 1177 N ARG A 74 -3.718 10.216 -9.779 1.00 1.00 N ATOM 1178 CA ARG A 74 -3.249 11.127 -8.716 1.00 1.00 C ATOM 1179 C ARG A 74 -1.714 11.188 -8.728 1.00 1.00 C ATOM 1180 O ARG A 74 -1.129 12.256 -8.548 1.00 1.00 O ATOM 1181 CB ARG A 74 -3.748 10.669 -7.316 1.00 1.00 C ATOM 1182 CG ARG A 74 -5.283 10.834 -7.204 1.00 1.00 C ATOM 1183 CD ARG A 74 -5.776 10.387 -5.814 1.00 1.00 C ATOM 1184 NE ARG A 74 -7.241 10.524 -5.736 1.00 1.00 N ATOM 1185 CZ ARG A 74 -7.847 11.720 -5.660 1.00 1.00 C ATOM 1186 NH1 ARG A 74 -7.143 12.821 -5.601 1.00 1.00 N ATOM 1187 NH2 ARG A 74 -9.152 11.786 -5.631 1.00 1.00 N ATOM 0 H ARG A 74 -4.222 9.398 -9.436 1.00 1.00 H new ATOM 0 HA ARG A 74 -3.659 12.118 -8.912 1.00 1.00 H new ATOM 0 HB2 ARG A 74 -3.476 9.627 -7.150 1.00 1.00 H new ATOM 0 HB3 ARG A 74 -3.256 11.254 -6.539 1.00 1.00 H new ATOM 0 HG2 ARG A 74 -5.556 11.875 -7.375 1.00 1.00 H new ATOM 0 HG3 ARG A 74 -5.775 10.244 -7.977 1.00 1.00 H new ATOM 0 HD2 ARG A 74 -5.488 9.352 -5.632 1.00 1.00 H new ATOM 0 HD3 ARG A 74 -5.303 10.990 -5.039 1.00 1.00 H new ATOM 0 HE ARG A 74 -7.815 9.681 -5.740 1.00 1.00 H new ATOM 0 HH11 ARG A 74 -6.124 12.776 -5.613 1.00 1.00 H new ATOM 0 HH12 ARG A 74 -7.613 13.724 -5.544 1.00 1.00 H new ATOM 0 HH21 ARG A 74 -9.707 10.931 -5.666 1.00 1.00 H new ATOM 0 HH22 ARG A 74 -9.616 12.693 -5.573 1.00 1.00 H new ATOM 1201 N ARG A 75 -1.062 10.052 -8.955 1.00 1.00 N ATOM 1202 CA ARG A 75 0.414 10.005 -9.006 1.00 1.00 C ATOM 1203 C ARG A 75 0.864 10.804 -10.208 1.00 1.00 C ATOM 1204 O ARG A 75 1.834 11.561 -10.164 1.00 1.00 O ATOM 1205 CB ARG A 75 0.917 8.543 -9.120 1.00 1.00 C ATOM 1206 CG ARG A 75 2.474 8.489 -9.136 1.00 1.00 C ATOM 1207 CD ARG A 75 2.971 7.041 -9.305 1.00 1.00 C ATOM 1208 NE ARG A 75 2.670 6.248 -8.112 1.00 1.00 N ATOM 1209 CZ ARG A 75 2.964 4.946 -8.042 1.00 1.00 C ATOM 1210 NH1 ARG A 75 3.422 4.313 -9.092 1.00 1.00 N ATOM 1211 NH2 ARG A 75 2.779 4.304 -6.926 1.00 1.00 N ATOM 0 H ARG A 75 -1.519 9.153 -9.107 1.00 1.00 H new ATOM 0 HA ARG A 75 0.828 10.426 -8.090 1.00 1.00 H new ATOM 0 HB2 ARG A 75 0.538 7.958 -8.282 1.00 1.00 H new ATOM 0 HB3 ARG A 75 0.524 8.089 -10.030 1.00 1.00 H new ATOM 0 HG2 ARG A 75 2.855 9.106 -9.950 1.00 1.00 H new ATOM 0 HG3 ARG A 75 2.866 8.907 -8.209 1.00 1.00 H new ATOM 0 HD2 ARG A 75 2.499 6.589 -10.177 1.00 1.00 H new ATOM 0 HD3 ARG A 75 4.046 7.039 -9.487 1.00 1.00 H new ATOM 0 HE ARG A 75 2.225 6.701 -7.314 1.00 1.00 H new ATOM 0 HH11 ARG A 75 3.557 4.813 -9.971 1.00 1.00 H new ATOM 0 HH12 ARG A 75 3.644 3.319 -9.032 1.00 1.00 H new ATOM 0 HH21 ARG A 75 2.411 4.794 -6.111 1.00 1.00 H new ATOM 0 HH22 ARG A 75 3.001 3.310 -6.866 1.00 1.00 H new ATOM 1225 N GLN A 76 0.149 10.621 -11.312 1.00 1.00 N ATOM 1226 CA GLN A 76 0.429 11.313 -12.557 1.00 1.00 C ATOM 1227 C GLN A 76 0.140 12.802 -12.354 1.00 1.00 C ATOM 1228 O GLN A 76 0.791 13.665 -12.943 1.00 1.00 O ATOM 1229 CB GLN A 76 -0.452 10.678 -13.666 1.00 1.00 C ATOM 1230 CG GLN A 76 -0.587 11.573 -14.920 1.00 1.00 C ATOM 1231 CD GLN A 76 0.781 12.061 -15.416 1.00 1.00 C ATOM 1232 OE1 GLN A 76 0.963 13.256 -15.657 1.00 1.00 O ATOM 1233 NE2 GLN A 76 1.757 11.209 -15.573 1.00 1.00 N ATOM 0 H GLN A 76 -0.646 9.984 -11.365 1.00 1.00 H new ATOM 0 HA GLN A 76 1.472 11.217 -12.860 1.00 1.00 H new ATOM 0 HB2 GLN A 76 -0.025 9.718 -13.956 1.00 1.00 H new ATOM 0 HB3 GLN A 76 -1.444 10.476 -13.262 1.00 1.00 H new ATOM 0 HG2 GLN A 76 -1.085 11.016 -15.714 1.00 1.00 H new ATOM 0 HG3 GLN A 76 -1.218 12.431 -14.689 1.00 1.00 H new ATOM 0 HE21 GLN A 76 1.608 10.220 -15.374 1.00 1.00 H new ATOM 0 HE22 GLN A 76 2.669 11.532 -15.895 1.00 1.00 H new ATOM 1242 N GLU A 77 -0.839 13.097 -11.505 1.00 1.00 N ATOM 1243 CA GLU A 77 -1.205 14.494 -11.208 1.00 1.00 C ATOM 1244 C GLU A 77 -0.087 15.116 -10.371 1.00 1.00 C ATOM 1245 O GLU A 77 0.364 16.232 -10.626 1.00 1.00 O ATOM 1246 CB GLU A 77 -2.555 14.548 -10.439 1.00 1.00 C ATOM 1247 CG GLU A 77 -3.098 16.005 -10.338 1.00 1.00 C ATOM 1248 CD GLU A 77 -3.534 16.540 -11.707 1.00 1.00 C ATOM 1249 OE1 GLU A 77 -3.856 15.735 -12.568 1.00 1.00 O ATOM 1250 OE2 GLU A 77 -3.540 17.747 -11.870 1.00 1.00 O ATOM 0 H GLU A 77 -1.395 12.400 -11.009 1.00 1.00 H new ATOM 0 HA GLU A 77 -1.328 15.052 -12.136 1.00 1.00 H new ATOM 0 HB2 GLU A 77 -3.288 13.920 -10.945 1.00 1.00 H new ATOM 0 HB3 GLU A 77 -2.421 14.138 -9.438 1.00 1.00 H new ATOM 0 HG2 GLU A 77 -3.943 16.032 -9.650 1.00 1.00 H new ATOM 0 HG3 GLU A 77 -2.327 16.653 -9.922 1.00 1.00 H new ATOM 1257 N LEU A 78 0.364 14.366 -9.371 1.00 1.00 N ATOM 1258 CA LEU A 78 1.442 14.796 -8.481 1.00 1.00 C ATOM 1259 C LEU A 78 2.779 14.793 -9.240 1.00 1.00 C ATOM 1260 O LEU A 78 3.696 15.554 -8.929 1.00 1.00 O ATOM 1261 CB LEU A 78 1.497 13.834 -7.266 1.00 1.00 C ATOM 1262 CG LEU A 78 0.224 13.991 -6.341 1.00 1.00 C ATOM 1263 CD1 LEU A 78 0.009 12.711 -5.502 1.00 1.00 C ATOM 1264 CD2 LEU A 78 0.392 15.195 -5.365 1.00 1.00 C ATOM 0 H LEU A 78 -0.007 13.441 -9.153 1.00 1.00 H new ATOM 0 HA LEU A 78 1.256 15.810 -8.128 1.00 1.00 H new ATOM 0 HB2 LEU A 78 1.566 12.805 -7.619 1.00 1.00 H new ATOM 0 HB3 LEU A 78 2.397 14.033 -6.684 1.00 1.00 H new ATOM 0 HG LEU A 78 -0.635 14.163 -6.989 1.00 1.00 H new ATOM 0 HD11 LEU A 78 -0.871 12.834 -4.870 1.00 1.00 H new ATOM 0 HD12 LEU A 78 -0.138 11.860 -6.167 1.00 1.00 H new ATOM 0 HD13 LEU A 78 0.884 12.535 -4.876 1.00 1.00 H new ATOM 0 HD21 LEU A 78 -0.496 15.283 -4.739 1.00 1.00 H new ATOM 0 HD22 LEU A 78 1.266 15.033 -4.734 1.00 1.00 H new ATOM 0 HD23 LEU A 78 0.524 16.113 -5.938 1.00 1.00 H new ATOM 1276 N ALA A 79 2.880 13.925 -10.241 1.00 1.00 N ATOM 1277 CA ALA A 79 4.120 13.830 -11.040 1.00 1.00 C ATOM 1278 C ALA A 79 4.387 15.154 -11.759 1.00 1.00 C ATOM 1279 O ALA A 79 5.458 15.739 -11.601 1.00 1.00 O ATOM 1280 CB ALA A 79 4.029 12.679 -12.049 1.00 1.00 C ATOM 0 H ALA A 79 2.139 13.283 -10.523 1.00 1.00 H new ATOM 0 HA ALA A 79 4.951 13.625 -10.365 1.00 1.00 H new ATOM 0 HB1 ALA A 79 4.952 12.627 -12.626 1.00 1.00 H new ATOM 0 HB2 ALA A 79 3.881 11.739 -11.517 1.00 1.00 H new ATOM 0 HB3 ALA A 79 3.189 12.851 -12.722 1.00 1.00 H new ATOM 1286 N ARG A 80 3.411 15.642 -12.519 1.00 1.00 N ATOM 1287 CA ARG A 80 3.545 16.917 -13.236 1.00 1.00 C ATOM 1288 C ARG A 80 3.696 18.052 -12.226 1.00 1.00 C ATOM 1289 O ARG A 80 4.309 19.082 -12.505 1.00 1.00 O ATOM 1290 CB ARG A 80 2.311 17.153 -14.153 1.00 1.00 C ATOM 1291 CG ARG A 80 1.006 17.051 -13.333 1.00 1.00 C ATOM 1292 CD ARG A 80 -0.219 17.328 -14.220 1.00 1.00 C ATOM 1293 NE ARG A 80 -0.326 16.316 -15.277 1.00 1.00 N ATOM 1294 CZ ARG A 80 -1.284 16.363 -16.212 1.00 1.00 C ATOM 1295 NH1 ARG A 80 -2.196 17.299 -16.183 1.00 1.00 N ATOM 1296 NH2 ARG A 80 -1.316 15.457 -17.153 1.00 1.00 N ATOM 0 H ARG A 80 2.514 15.176 -12.658 1.00 1.00 H new ATOM 0 HA ARG A 80 4.432 16.886 -13.868 1.00 1.00 H new ATOM 0 HB2 ARG A 80 2.379 18.136 -14.620 1.00 1.00 H new ATOM 0 HB3 ARG A 80 2.301 16.418 -14.958 1.00 1.00 H new ATOM 0 HG2 ARG A 80 0.925 16.057 -12.893 1.00 1.00 H new ATOM 0 HG3 ARG A 80 1.032 17.764 -12.509 1.00 1.00 H new ATOM 0 HD2 ARG A 80 -1.124 17.325 -13.612 1.00 1.00 H new ATOM 0 HD3 ARG A 80 -0.137 18.320 -14.665 1.00 1.00 H new ATOM 0 HE ARG A 80 0.350 15.553 -15.301 1.00 1.00 H new ATOM 0 HH11 ARG A 80 -2.182 18.002 -15.444 1.00 1.00 H new ATOM 0 HH12 ARG A 80 -2.922 17.327 -16.899 1.00 1.00 H new ATOM 0 HH21 ARG A 80 -0.613 14.718 -17.173 1.00 1.00 H new ATOM 0 HH22 ARG A 80 -2.044 15.489 -17.867 1.00 1.00 H new ATOM 1310 N GLN A 81 3.134 17.854 -11.037 1.00 1.00 N ATOM 1311 CA GLN A 81 3.200 18.850 -9.963 1.00 1.00 C ATOM 1312 C GLN A 81 4.624 18.930 -9.424 1.00 1.00 C ATOM 1313 O GLN A 81 5.128 20.018 -9.144 1.00 1.00 O ATOM 1314 CB GLN A 81 2.201 18.466 -8.826 1.00 1.00 C ATOM 1315 CG GLN A 81 1.795 19.691 -7.970 1.00 1.00 C ATOM 1316 CD GLN A 81 3.011 20.277 -7.254 1.00 1.00 C ATOM 1317 OE1 GLN A 81 3.711 19.562 -6.536 1.00 1.00 O ATOM 1318 NE2 GLN A 81 3.310 21.538 -7.408 1.00 1.00 N ATOM 0 H GLN A 81 2.623 17.007 -10.788 1.00 1.00 H new ATOM 0 HA GLN A 81 2.921 19.828 -10.354 1.00 1.00 H new ATOM 0 HB2 GLN A 81 1.309 18.018 -9.264 1.00 1.00 H new ATOM 0 HB3 GLN A 81 2.655 17.710 -8.185 1.00 1.00 H new ATOM 0 HG2 GLN A 81 1.340 20.451 -8.606 1.00 1.00 H new ATOM 0 HG3 GLN A 81 1.043 19.396 -7.238 1.00 1.00 H new ATOM 0 HE21 GLN A 81 2.731 22.131 -8.003 1.00 1.00 H new ATOM 0 HE22 GLN A 81 4.123 21.931 -6.934 1.00 1.00 H new ATOM 1327 N CYS A 82 5.275 17.782 -9.273 1.00 1.00 N ATOM 1328 CA CYS A 82 6.639 17.706 -8.762 1.00 1.00 C ATOM 1329 C CYS A 82 7.586 18.487 -9.660 1.00 1.00 C ATOM 1330 O CYS A 82 8.447 19.224 -9.180 1.00 1.00 O ATOM 1331 CB CYS A 82 7.074 16.235 -8.683 1.00 1.00 C ATOM 1332 SG CYS A 82 8.710 16.126 -7.916 1.00 1.00 S ATOM 0 H CYS A 82 4.870 16.874 -9.502 1.00 1.00 H new ATOM 0 HA CYS A 82 6.672 18.145 -7.765 1.00 1.00 H new ATOM 0 HB2 CYS A 82 6.350 15.662 -8.103 1.00 1.00 H new ATOM 0 HB3 CYS A 82 7.100 15.799 -9.682 1.00 1.00 H new ATOM 0 HG CYS A 82 9.075 14.880 -7.848 1.00 1.00 H new