USER MOD reduce.3.24.130724 H: found=0, std=0, add=503, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 504 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 42 GLN : amide:sc= -0.0411 K(o=-0.041,f=-0.7) USER MOD Single : A 46 ASN : amide:sc= -0.0461 K(o=-0.046,f=-1.1) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 48 THR OG1 : rot -3:sc= 1.13 USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 GLN : amide:sc= 0 X(o=0,f=-0.12) USER MOD Single : A 59 SER OG : rot 73:sc= 1.28 USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 75 SER OG : rot 159:sc= 0.285 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0.0382 USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 94 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 98 TYR OH : rot 180:sc= 0 USER MOD Single : A 100 LYS NZ :NH3+ -152:sc= 0 (180deg=-0.433) USER MOD Single : A 101 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 87 N PHE A 38 -1.240 -27.783 4.184 1.00 0.00 N ATOM 88 CA PHE A 38 -2.366 -26.840 4.249 1.00 0.00 C ATOM 89 C PHE A 38 -2.418 -26.008 5.550 1.00 0.00 C ATOM 90 O PHE A 38 -3.170 -25.035 5.626 1.00 0.00 O ATOM 91 CB PHE A 38 -3.679 -27.616 4.055 1.00 0.00 C ATOM 92 CG PHE A 38 -3.697 -28.543 2.849 1.00 0.00 C ATOM 93 CD1 PHE A 38 -3.896 -28.021 1.556 1.00 0.00 C ATOM 94 CD2 PHE A 38 -3.501 -29.929 3.017 1.00 0.00 C ATOM 95 CE1 PHE A 38 -3.903 -28.878 0.440 1.00 0.00 C ATOM 96 CE2 PHE A 38 -3.504 -30.784 1.901 1.00 0.00 C ATOM 97 CZ PHE A 38 -3.708 -30.259 0.613 1.00 0.00 C ATOM 0 HA PHE A 38 -2.221 -26.115 3.448 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -3.873 -28.205 4.952 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -4.497 -26.902 3.959 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -4.044 -26.960 1.421 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -3.348 -30.335 4.006 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -4.058 -28.474 -0.550 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -3.350 -31.845 2.033 1.00 0.00 H new ATOM 0 HZ PHE A 38 -3.715 -30.917 -0.243 1.00 0.00 H new ATOM 107 N ASP A 39 -1.602 -26.365 6.552 1.00 0.00 N ATOM 108 CA ASP A 39 -1.448 -25.681 7.838 1.00 0.00 C ATOM 109 C ASP A 39 -1.097 -24.189 7.676 1.00 0.00 C ATOM 110 O ASP A 39 -1.606 -23.338 8.411 1.00 0.00 O ATOM 111 CB ASP A 39 -0.375 -26.419 8.655 1.00 0.00 C ATOM 112 CG ASP A 39 -0.624 -26.283 10.157 1.00 0.00 C ATOM 113 OD1 ASP A 39 -1.657 -26.840 10.594 1.00 0.00 O ATOM 114 OD2 ASP A 39 0.219 -25.660 10.840 1.00 0.00 O ATOM 0 H ASP A 39 -0.999 -27.185 6.480 1.00 0.00 H new ATOM 0 HA ASP A 39 -2.403 -25.705 8.363 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -0.368 -27.474 8.380 1.00 0.00 H new ATOM 0 HB3 ASP A 39 0.609 -26.019 8.410 1.00 0.00 H new ATOM 119 N GLU A 40 -0.294 -23.863 6.654 1.00 0.00 N ATOM 120 CA GLU A 40 0.042 -22.486 6.290 1.00 0.00 C ATOM 121 C GLU A 40 -1.225 -21.680 5.982 1.00 0.00 C ATOM 122 O GLU A 40 -1.491 -20.656 6.616 1.00 0.00 O ATOM 123 CB GLU A 40 0.991 -22.457 5.077 1.00 0.00 C ATOM 124 CG GLU A 40 2.255 -23.308 5.239 1.00 0.00 C ATOM 125 CD GLU A 40 3.007 -22.993 6.534 1.00 0.00 C ATOM 126 OE1 GLU A 40 3.355 -21.804 6.714 1.00 0.00 O ATOM 127 OE2 GLU A 40 3.206 -23.936 7.329 1.00 0.00 O ATOM 0 H GLU A 40 0.144 -24.559 6.051 1.00 0.00 H new ATOM 0 HA GLU A 40 0.548 -22.030 7.141 1.00 0.00 H new ATOM 0 HB2 GLU A 40 0.447 -22.801 4.198 1.00 0.00 H new ATOM 0 HB3 GLU A 40 1.285 -21.425 4.886 1.00 0.00 H new ATOM 0 HG2 GLU A 40 1.983 -24.364 5.227 1.00 0.00 H new ATOM 0 HG3 GLU A 40 2.915 -23.139 4.388 1.00 0.00 H new ATOM 134 N LEU A 41 -2.020 -22.160 5.014 1.00 0.00 N ATOM 135 CA LEU A 41 -3.283 -21.549 4.596 1.00 0.00 C ATOM 136 C LEU A 41 -4.277 -21.461 5.757 1.00 0.00 C ATOM 137 O LEU A 41 -4.942 -20.437 5.903 1.00 0.00 O ATOM 138 CB LEU A 41 -3.903 -22.325 3.419 1.00 0.00 C ATOM 139 CG LEU A 41 -3.456 -21.894 2.010 1.00 0.00 C ATOM 140 CD1 LEU A 41 -3.788 -20.425 1.721 1.00 0.00 C ATOM 141 CD2 LEU A 41 -1.969 -22.150 1.750 1.00 0.00 C ATOM 0 H LEU A 41 -1.793 -23.005 4.489 1.00 0.00 H new ATOM 0 HA LEU A 41 -3.061 -20.534 4.267 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -3.669 -23.382 3.544 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -4.987 -22.229 3.479 1.00 0.00 H new ATOM 0 HG LEU A 41 -4.027 -22.522 1.326 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -3.454 -20.167 0.716 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -4.865 -20.274 1.795 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -3.281 -19.788 2.446 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -1.715 -21.826 0.741 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -1.372 -21.592 2.472 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -1.760 -23.215 1.852 1.00 0.00 H new ATOM 153 N GLN A 42 -4.346 -22.501 6.599 1.00 0.00 N ATOM 154 CA GLN A 42 -5.105 -22.482 7.851 1.00 0.00 C ATOM 155 C GLN A 42 -4.742 -21.251 8.691 1.00 0.00 C ATOM 156 O GLN A 42 -5.575 -20.356 8.839 1.00 0.00 O ATOM 157 CB GLN A 42 -4.886 -23.799 8.619 1.00 0.00 C ATOM 158 CG GLN A 42 -5.924 -24.875 8.275 1.00 0.00 C ATOM 159 CD GLN A 42 -7.293 -24.603 8.898 1.00 0.00 C ATOM 160 OE1 GLN A 42 -7.500 -23.703 9.694 1.00 0.00 O ATOM 161 NE2 GLN A 42 -8.301 -25.377 8.555 1.00 0.00 N ATOM 0 H GLN A 42 -3.871 -23.387 6.426 1.00 0.00 H new ATOM 0 HA GLN A 42 -6.168 -22.404 7.624 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -3.889 -24.180 8.398 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -4.920 -23.598 9.690 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -6.029 -24.938 7.192 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -5.561 -25.845 8.616 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -8.157 -26.138 7.891 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -9.226 -25.216 8.953 1.00 0.00 H new ATOM 170 N GLY A 43 -3.500 -21.164 9.190 1.00 0.00 N ATOM 171 CA GLY A 43 -3.046 -20.045 10.023 1.00 0.00 C ATOM 172 C GLY A 43 -3.200 -18.671 9.349 1.00 0.00 C ATOM 173 O GLY A 43 -3.580 -17.698 10.007 1.00 0.00 O ATOM 0 H GLY A 43 -2.782 -21.870 9.026 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -3.608 -20.047 10.957 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -1.998 -20.198 10.282 1.00 0.00 H new ATOM 177 N LEU A 44 -2.959 -18.602 8.033 1.00 0.00 N ATOM 178 CA LEU A 44 -3.172 -17.413 7.203 1.00 0.00 C ATOM 179 C LEU A 44 -4.601 -16.865 7.318 1.00 0.00 C ATOM 180 O LEU A 44 -4.783 -15.692 7.659 1.00 0.00 O ATOM 181 CB LEU A 44 -2.847 -17.737 5.735 1.00 0.00 C ATOM 182 CG LEU A 44 -1.381 -17.499 5.331 1.00 0.00 C ATOM 183 CD1 LEU A 44 -1.024 -18.392 4.140 1.00 0.00 C ATOM 184 CD2 LEU A 44 -1.171 -16.035 4.924 1.00 0.00 C ATOM 0 H LEU A 44 -2.600 -19.396 7.503 1.00 0.00 H new ATOM 0 HA LEU A 44 -2.501 -16.636 7.569 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -3.097 -18.781 5.544 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -3.489 -17.133 5.094 1.00 0.00 H new ATOM 0 HG LEU A 44 -0.745 -17.735 6.184 1.00 0.00 H new ATOM 0 HD11 LEU A 44 0.014 -18.222 3.856 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -1.158 -19.438 4.416 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -1.674 -18.153 3.298 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -0.130 -15.882 4.641 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -1.816 -15.796 4.078 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -1.418 -15.385 5.763 1.00 0.00 H new ATOM 196 N VAL A 45 -5.619 -17.680 6.999 1.00 0.00 N ATOM 197 CA VAL A 45 -7.019 -17.230 7.086 1.00 0.00 C ATOM 198 C VAL A 45 -7.471 -17.072 8.547 1.00 0.00 C ATOM 199 O VAL A 45 -8.330 -16.236 8.820 1.00 0.00 O ATOM 200 CB VAL A 45 -7.990 -18.107 6.259 1.00 0.00 C ATOM 201 CG1 VAL A 45 -9.379 -17.441 6.127 1.00 0.00 C ATOM 202 CG2 VAL A 45 -7.446 -18.375 4.844 1.00 0.00 C ATOM 0 H VAL A 45 -5.503 -18.643 6.682 1.00 0.00 H new ATOM 0 HA VAL A 45 -7.056 -16.242 6.628 1.00 0.00 H new ATOM 0 HB VAL A 45 -8.084 -19.050 6.798 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -10.036 -18.083 5.541 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -9.807 -17.292 7.118 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -9.275 -16.477 5.629 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -8.154 -18.994 4.293 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -7.308 -17.428 4.322 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -6.490 -18.893 4.914 1.00 0.00 H new ATOM 212 N ASN A 46 -6.850 -17.791 9.492 1.00 0.00 N ATOM 213 CA ASN A 46 -7.143 -17.726 10.927 1.00 0.00 C ATOM 214 C ASN A 46 -7.021 -16.299 11.489 1.00 0.00 C ATOM 215 O ASN A 46 -7.966 -15.785 12.090 1.00 0.00 O ATOM 216 CB ASN A 46 -6.210 -18.706 11.676 1.00 0.00 C ATOM 217 CG ASN A 46 -6.808 -19.301 12.938 1.00 0.00 C ATOM 218 OD1 ASN A 46 -8.010 -19.453 13.087 1.00 0.00 O ATOM 219 ND2 ASN A 46 -5.979 -19.696 13.882 1.00 0.00 N ATOM 0 H ASN A 46 -6.107 -18.454 9.270 1.00 0.00 H new ATOM 0 HA ASN A 46 -8.182 -18.020 11.079 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -5.937 -19.517 11.001 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -5.289 -18.184 11.936 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -6.342 -20.127 14.732 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -4.974 -19.571 13.763 1.00 0.00 H new ATOM 226 N SER A 47 -5.845 -15.672 11.315 1.00 0.00 N ATOM 227 CA SER A 47 -5.556 -14.312 11.789 1.00 0.00 C ATOM 228 C SER A 47 -4.308 -13.730 11.101 1.00 0.00 C ATOM 229 O SER A 47 -3.277 -13.451 11.719 1.00 0.00 O ATOM 230 CB SER A 47 -5.417 -14.301 13.321 1.00 0.00 C ATOM 231 OG SER A 47 -5.517 -12.981 13.819 1.00 0.00 O ATOM 0 H SER A 47 -5.057 -16.105 10.833 1.00 0.00 H new ATOM 0 HA SER A 47 -6.394 -13.669 11.520 1.00 0.00 H new ATOM 0 HB2 SER A 47 -6.193 -14.924 13.767 1.00 0.00 H new ATOM 0 HB3 SER A 47 -4.458 -14.732 13.608 1.00 0.00 H new ATOM 0 HG SER A 47 -5.428 -12.992 14.795 1.00 0.00 H new ATOM 237 N THR A 48 -4.347 -13.588 9.774 1.00 0.00 N ATOM 238 CA THR A 48 -3.288 -12.907 9.008 1.00 0.00 C ATOM 239 C THR A 48 -3.862 -12.239 7.761 1.00 0.00 C ATOM 240 O THR A 48 -3.784 -11.016 7.645 1.00 0.00 O ATOM 241 CB THR A 48 -2.142 -13.880 8.682 1.00 0.00 C ATOM 242 OG1 THR A 48 -1.508 -14.267 9.882 1.00 0.00 O ATOM 243 CG2 THR A 48 -1.058 -13.290 7.781 1.00 0.00 C ATOM 0 H THR A 48 -5.111 -13.940 9.196 1.00 0.00 H new ATOM 0 HA THR A 48 -2.865 -12.113 9.623 1.00 0.00 H new ATOM 0 HB THR A 48 -2.605 -14.713 8.153 1.00 0.00 H new ATOM 0 HG1 THR A 48 -1.915 -13.790 10.635 1.00 0.00 H new ATOM 0 HG21 THR A 48 -0.288 -14.040 7.600 1.00 0.00 H new ATOM 0 HG22 THR A 48 -1.499 -12.986 6.832 1.00 0.00 H new ATOM 0 HG23 THR A 48 -0.612 -12.423 8.268 1.00 0.00 H new ATOM 251 N VAL A 49 -4.496 -13.004 6.859 1.00 0.00 N ATOM 252 CA VAL A 49 -5.100 -12.443 5.639 1.00 0.00 C ATOM 253 C VAL A 49 -6.195 -11.423 5.978 1.00 0.00 C ATOM 254 O VAL A 49 -6.254 -10.355 5.374 1.00 0.00 O ATOM 255 CB VAL A 49 -5.609 -13.558 4.694 1.00 0.00 C ATOM 256 CG1 VAL A 49 -7.035 -14.040 5.002 1.00 0.00 C ATOM 257 CG2 VAL A 49 -5.546 -13.089 3.235 1.00 0.00 C ATOM 0 H VAL A 49 -4.604 -14.014 6.951 1.00 0.00 H new ATOM 0 HA VAL A 49 -4.321 -11.905 5.098 1.00 0.00 H new ATOM 0 HB VAL A 49 -4.945 -14.406 4.861 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -7.316 -14.821 4.295 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -7.074 -14.438 6.016 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -7.729 -13.204 4.913 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -5.907 -13.883 2.582 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -6.170 -12.204 3.110 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -4.516 -12.846 2.975 1.00 0.00 H new ATOM 267 N THR A 50 -7.018 -11.729 6.994 1.00 0.00 N ATOM 268 CA THR A 50 -8.133 -10.890 7.449 1.00 0.00 C ATOM 269 C THR A 50 -7.644 -9.534 7.955 1.00 0.00 C ATOM 270 O THR A 50 -8.289 -8.512 7.717 1.00 0.00 O ATOM 271 CB THR A 50 -8.978 -11.625 8.506 1.00 0.00 C ATOM 272 OG1 THR A 50 -10.238 -11.008 8.596 1.00 0.00 O ATOM 273 CG2 THR A 50 -8.365 -11.678 9.909 1.00 0.00 C ATOM 0 H THR A 50 -6.922 -12.589 7.534 1.00 0.00 H new ATOM 0 HA THR A 50 -8.777 -10.694 6.591 1.00 0.00 H new ATOM 0 HB THR A 50 -9.040 -12.658 8.162 1.00 0.00 H new ATOM 0 HG1 THR A 50 -10.782 -11.472 9.266 1.00 0.00 H new ATOM 0 HG21 THR A 50 -9.036 -12.216 10.579 1.00 0.00 H new ATOM 0 HG22 THR A 50 -7.405 -12.192 9.867 1.00 0.00 H new ATOM 0 HG23 THR A 50 -8.218 -10.664 10.280 1.00 0.00 H new ATOM 281 N GLN A 51 -6.481 -9.527 8.618 1.00 0.00 N ATOM 282 CA GLN A 51 -5.856 -8.325 9.147 1.00 0.00 C ATOM 283 C GLN A 51 -5.366 -7.422 8.008 1.00 0.00 C ATOM 284 O GLN A 51 -5.483 -6.205 8.110 1.00 0.00 O ATOM 285 CB GLN A 51 -4.715 -8.695 10.117 1.00 0.00 C ATOM 286 CG GLN A 51 -4.802 -7.867 11.412 1.00 0.00 C ATOM 287 CD GLN A 51 -3.550 -7.988 12.283 1.00 0.00 C ATOM 288 OE1 GLN A 51 -2.427 -7.873 11.818 1.00 0.00 O ATOM 289 NE2 GLN A 51 -3.687 -8.203 13.578 1.00 0.00 N ATOM 0 H GLN A 51 -5.945 -10.375 8.801 1.00 0.00 H new ATOM 0 HA GLN A 51 -6.599 -7.761 9.711 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -4.766 -9.757 10.356 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -3.753 -8.523 9.635 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -4.961 -6.819 11.157 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -5.670 -8.190 11.986 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -4.618 -8.301 13.983 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -2.862 -8.271 14.174 1.00 0.00 H new ATOM 298 N ALA A 52 -4.880 -7.998 6.899 1.00 0.00 N ATOM 299 CA ALA A 52 -4.375 -7.247 5.748 1.00 0.00 C ATOM 300 C ALA A 52 -5.463 -6.395 5.070 1.00 0.00 C ATOM 301 O ALA A 52 -5.209 -5.249 4.689 1.00 0.00 O ATOM 302 CB ALA A 52 -3.747 -8.227 4.748 1.00 0.00 C ATOM 0 H ALA A 52 -4.827 -9.009 6.778 1.00 0.00 H new ATOM 0 HA ALA A 52 -3.622 -6.546 6.107 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -3.368 -7.676 3.887 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -2.926 -8.760 5.228 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -4.500 -8.942 4.418 1.00 0.00 H new ATOM 308 N ILE A 53 -6.680 -6.946 4.933 1.00 0.00 N ATOM 309 CA ILE A 53 -7.836 -6.234 4.367 1.00 0.00 C ATOM 310 C ILE A 53 -8.191 -5.045 5.261 1.00 0.00 C ATOM 311 O ILE A 53 -8.032 -3.897 4.837 1.00 0.00 O ATOM 312 CB ILE A 53 -9.037 -7.183 4.149 1.00 0.00 C ATOM 313 CG1 ILE A 53 -8.687 -8.314 3.148 1.00 0.00 C ATOM 314 CG2 ILE A 53 -10.267 -6.412 3.637 1.00 0.00 C ATOM 315 CD1 ILE A 53 -9.039 -9.694 3.707 1.00 0.00 C ATOM 0 H ILE A 53 -6.890 -7.904 5.214 1.00 0.00 H new ATOM 0 HA ILE A 53 -7.571 -5.853 3.381 1.00 0.00 H new ATOM 0 HB ILE A 53 -9.272 -7.628 5.116 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -9.224 -8.152 2.214 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -7.623 -8.277 2.914 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -11.096 -7.104 3.493 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -10.551 -5.653 4.367 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -10.026 -5.931 2.689 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -8.779 -10.460 2.976 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -8.482 -9.867 4.628 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -10.108 -9.740 3.916 1.00 0.00 H new ATOM 327 N LEU A 54 -8.643 -5.309 6.497 1.00 0.00 N ATOM 328 CA LEU A 54 -9.062 -4.270 7.444 1.00 0.00 C ATOM 329 C LEU A 54 -7.969 -3.208 7.649 1.00 0.00 C ATOM 330 O LEU A 54 -8.286 -2.020 7.742 1.00 0.00 O ATOM 331 CB LEU A 54 -9.559 -4.909 8.762 1.00 0.00 C ATOM 332 CG LEU A 54 -8.462 -5.539 9.644 1.00 0.00 C ATOM 333 CD1 LEU A 54 -7.736 -4.518 10.534 1.00 0.00 C ATOM 334 CD2 LEU A 54 -9.023 -6.646 10.538 1.00 0.00 C ATOM 0 H LEU A 54 -8.728 -6.256 6.867 1.00 0.00 H new ATOM 0 HA LEU A 54 -9.908 -3.730 7.018 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -10.076 -4.146 9.344 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -10.293 -5.677 8.520 1.00 0.00 H new ATOM 0 HG LEU A 54 -7.741 -5.955 8.940 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -6.977 -5.028 11.128 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -7.260 -3.763 9.908 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -8.455 -4.038 11.198 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -8.220 -7.066 11.144 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -9.792 -6.232 11.190 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -9.457 -7.430 9.917 1.00 0.00 H new ATOM 346 N PHE A 55 -6.691 -3.620 7.674 1.00 0.00 N ATOM 347 CA PHE A 55 -5.541 -2.728 7.770 1.00 0.00 C ATOM 348 C PHE A 55 -5.563 -1.691 6.652 1.00 0.00 C ATOM 349 O PHE A 55 -5.505 -0.496 6.944 1.00 0.00 O ATOM 350 CB PHE A 55 -4.238 -3.537 7.742 1.00 0.00 C ATOM 351 CG PHE A 55 -2.993 -2.684 7.655 1.00 0.00 C ATOM 352 CD1 PHE A 55 -2.447 -2.125 8.823 1.00 0.00 C ATOM 353 CD2 PHE A 55 -2.405 -2.419 6.404 1.00 0.00 C ATOM 354 CE1 PHE A 55 -1.319 -1.293 8.741 1.00 0.00 C ATOM 355 CE2 PHE A 55 -1.279 -1.583 6.321 1.00 0.00 C ATOM 356 CZ PHE A 55 -0.738 -1.018 7.489 1.00 0.00 C ATOM 0 H PHE A 55 -6.431 -4.605 7.627 1.00 0.00 H new ATOM 0 HA PHE A 55 -5.595 -2.195 8.719 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -4.184 -4.152 8.640 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -4.262 -4.217 6.891 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -2.895 -2.335 9.783 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -2.819 -2.858 5.508 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -0.897 -0.864 9.638 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -0.830 -1.375 5.361 1.00 0.00 H new ATOM 0 HZ PHE A 55 0.125 -0.372 7.425 1.00 0.00 H new ATOM 366 N GLY A 56 -5.681 -2.132 5.392 1.00 0.00 N ATOM 367 CA GLY A 56 -5.781 -1.237 4.245 1.00 0.00 C ATOM 368 C GLY A 56 -7.042 -0.370 4.278 1.00 0.00 C ATOM 369 O GLY A 56 -6.966 0.795 3.897 1.00 0.00 O ATOM 0 H GLY A 56 -5.709 -3.121 5.146 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -4.903 -0.592 4.215 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -5.775 -1.826 3.328 1.00 0.00 H new ATOM 373 N VAL A 57 -8.175 -0.888 4.777 1.00 0.00 N ATOM 374 CA VAL A 57 -9.432 -0.123 4.890 1.00 0.00 C ATOM 375 C VAL A 57 -9.256 1.117 5.767 1.00 0.00 C ATOM 376 O VAL A 57 -9.367 2.243 5.272 1.00 0.00 O ATOM 377 CB VAL A 57 -10.613 -0.988 5.389 1.00 0.00 C ATOM 378 CG1 VAL A 57 -11.892 -0.144 5.509 1.00 0.00 C ATOM 379 CG2 VAL A 57 -10.868 -2.180 4.456 1.00 0.00 C ATOM 0 H VAL A 57 -8.248 -1.848 5.114 1.00 0.00 H new ATOM 0 HA VAL A 57 -9.682 0.205 3.881 1.00 0.00 H new ATOM 0 HB VAL A 57 -10.342 -1.371 6.373 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -12.710 -0.772 5.861 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -11.727 0.668 6.217 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -12.147 0.271 4.534 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -11.704 -2.767 4.836 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -11.105 -1.816 3.456 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -9.976 -2.805 4.412 1.00 0.00 H new ATOM 389 N ARG A 58 -8.978 0.920 7.066 1.00 0.00 N ATOM 390 CA ARG A 58 -8.800 2.036 8.007 1.00 0.00 C ATOM 391 C ARG A 58 -7.635 2.939 7.602 1.00 0.00 C ATOM 392 O ARG A 58 -7.775 4.157 7.666 1.00 0.00 O ATOM 393 CB ARG A 58 -8.659 1.552 9.460 1.00 0.00 C ATOM 394 CG ARG A 58 -7.588 0.467 9.680 1.00 0.00 C ATOM 395 CD ARG A 58 -6.774 0.673 10.962 1.00 0.00 C ATOM 396 NE ARG A 58 -7.606 0.539 12.173 1.00 0.00 N ATOM 397 CZ ARG A 58 -8.008 -0.597 12.730 1.00 0.00 C ATOM 398 NH1 ARG A 58 -7.682 -1.764 12.228 1.00 0.00 N ATOM 399 NH2 ARG A 58 -8.737 -0.579 13.818 1.00 0.00 N ATOM 0 H ARG A 58 -8.872 -0.003 7.488 1.00 0.00 H new ATOM 0 HA ARG A 58 -9.709 2.635 7.957 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -8.423 2.408 10.092 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -9.622 1.165 9.794 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -8.071 -0.509 9.717 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -6.911 0.455 8.826 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -5.963 -0.054 10.997 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -6.315 1.662 10.945 1.00 0.00 H new ATOM 0 HE ARG A 58 -7.901 1.404 12.627 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -7.105 -1.815 11.388 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -8.005 -2.621 12.677 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -8.999 0.311 14.242 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -9.043 -1.455 14.241 1.00 0.00 H new ATOM 413 N SER A 59 -6.518 2.348 7.156 1.00 0.00 N ATOM 414 CA SER A 59 -5.330 3.083 6.718 1.00 0.00 C ATOM 415 C SER A 59 -5.659 3.972 5.531 1.00 0.00 C ATOM 416 O SER A 59 -5.313 5.146 5.557 1.00 0.00 O ATOM 417 CB SER A 59 -4.181 2.143 6.341 1.00 0.00 C ATOM 418 OG SER A 59 -3.830 1.348 7.448 1.00 0.00 O ATOM 0 H SER A 59 -6.416 1.335 7.090 1.00 0.00 H new ATOM 0 HA SER A 59 -5.009 3.696 7.560 1.00 0.00 H new ATOM 0 HB2 SER A 59 -4.478 1.508 5.506 1.00 0.00 H new ATOM 0 HB3 SER A 59 -3.319 2.722 6.010 1.00 0.00 H new ATOM 0 HG SER A 59 -4.524 0.672 7.598 1.00 0.00 H new ATOM 424 N GLY A 60 -6.364 3.438 4.526 1.00 0.00 N ATOM 425 CA GLY A 60 -6.802 4.174 3.352 1.00 0.00 C ATOM 426 C GLY A 60 -7.704 5.351 3.716 1.00 0.00 C ATOM 427 O GLY A 60 -7.382 6.495 3.403 1.00 0.00 O ATOM 0 H GLY A 60 -6.648 2.458 4.514 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -5.931 4.540 2.808 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -7.337 3.501 2.682 1.00 0.00 H new ATOM 431 N ALA A 61 -8.817 5.091 4.411 1.00 0.00 N ATOM 432 CA ALA A 61 -9.742 6.154 4.805 1.00 0.00 C ATOM 433 C ALA A 61 -9.047 7.245 5.639 1.00 0.00 C ATOM 434 O ALA A 61 -9.146 8.428 5.298 1.00 0.00 O ATOM 435 CB ALA A 61 -10.935 5.542 5.544 1.00 0.00 C ATOM 0 H ALA A 61 -9.096 4.157 4.710 1.00 0.00 H new ATOM 0 HA ALA A 61 -10.105 6.651 3.905 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -11.625 6.333 5.838 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -11.448 4.839 4.888 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -10.583 5.018 6.433 1.00 0.00 H new ATOM 441 N ALA A 62 -8.313 6.850 6.693 1.00 0.00 N ATOM 442 CA ALA A 62 -7.555 7.764 7.544 1.00 0.00 C ATOM 443 C ALA A 62 -6.472 8.536 6.771 1.00 0.00 C ATOM 444 O ALA A 62 -6.285 9.723 7.023 1.00 0.00 O ATOM 445 CB ALA A 62 -6.950 6.991 8.719 1.00 0.00 C ATOM 0 H ALA A 62 -8.233 5.873 6.976 1.00 0.00 H new ATOM 0 HA ALA A 62 -8.248 8.515 7.923 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -6.385 7.675 9.352 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -7.748 6.532 9.302 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -6.285 6.215 8.340 1.00 0.00 H new ATOM 451 N ALA A 63 -5.789 7.905 5.809 1.00 0.00 N ATOM 452 CA ALA A 63 -4.809 8.565 4.953 1.00 0.00 C ATOM 453 C ALA A 63 -5.449 9.597 4.018 1.00 0.00 C ATOM 454 O ALA A 63 -4.977 10.731 3.970 1.00 0.00 O ATOM 455 CB ALA A 63 -4.024 7.515 4.168 1.00 0.00 C ATOM 0 H ALA A 63 -5.906 6.913 5.605 1.00 0.00 H new ATOM 0 HA ALA A 63 -4.123 9.120 5.593 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -3.293 8.010 3.529 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -3.509 6.851 4.863 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -4.710 6.934 3.552 1.00 0.00 H new ATOM 461 N LEU A 64 -6.529 9.244 3.301 1.00 0.00 N ATOM 462 CA LEU A 64 -7.249 10.179 2.430 1.00 0.00 C ATOM 463 C LEU A 64 -7.615 11.457 3.189 1.00 0.00 C ATOM 464 O LEU A 64 -7.212 12.542 2.770 1.00 0.00 O ATOM 465 CB LEU A 64 -8.467 9.486 1.790 1.00 0.00 C ATOM 466 CG LEU A 64 -9.425 10.457 1.052 1.00 0.00 C ATOM 467 CD1 LEU A 64 -9.878 9.892 -0.295 1.00 0.00 C ATOM 468 CD2 LEU A 64 -10.678 10.767 1.887 1.00 0.00 C ATOM 0 H LEU A 64 -6.924 8.304 3.311 1.00 0.00 H new ATOM 0 HA LEU A 64 -6.596 10.485 1.613 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -8.115 8.732 1.085 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -9.024 8.961 2.566 1.00 0.00 H new ATOM 0 HG LEU A 64 -8.856 11.373 0.893 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -10.548 10.602 -0.781 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -9.008 9.722 -0.929 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -10.402 8.949 -0.137 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -11.323 11.450 1.335 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -11.218 9.842 2.090 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -10.382 11.229 2.829 1.00 0.00 H new ATOM 480 N THR A 65 -8.339 11.333 4.310 1.00 0.00 N ATOM 481 CA THR A 65 -8.733 12.498 5.114 1.00 0.00 C ATOM 482 C THR A 65 -7.523 13.323 5.560 1.00 0.00 C ATOM 483 O THR A 65 -7.587 14.548 5.455 1.00 0.00 O ATOM 484 CB THR A 65 -9.651 12.113 6.286 1.00 0.00 C ATOM 485 OG1 THR A 65 -10.092 13.264 6.964 1.00 0.00 O ATOM 486 CG2 THR A 65 -9.002 11.196 7.313 1.00 0.00 C ATOM 0 H THR A 65 -8.663 10.439 4.680 1.00 0.00 H new ATOM 0 HA THR A 65 -9.324 13.144 4.465 1.00 0.00 H new ATOM 0 HB THR A 65 -10.477 11.570 5.827 1.00 0.00 H new ATOM 0 HG1 THR A 65 -10.676 13.003 7.706 1.00 0.00 H new ATOM 0 HG21 THR A 65 -9.717 10.973 8.105 1.00 0.00 H new ATOM 0 HG22 THR A 65 -8.695 10.268 6.830 1.00 0.00 H new ATOM 0 HG23 THR A 65 -8.129 11.689 7.740 1.00 0.00 H new ATOM 494 N LEU A 66 -6.415 12.676 5.977 1.00 0.00 N ATOM 495 CA LEU A 66 -5.147 13.332 6.332 1.00 0.00 C ATOM 496 C LEU A 66 -4.666 14.260 5.211 1.00 0.00 C ATOM 497 O LEU A 66 -4.278 15.395 5.477 1.00 0.00 O ATOM 498 CB LEU A 66 -4.084 12.303 6.797 1.00 0.00 C ATOM 499 CG LEU A 66 -2.793 12.103 5.965 1.00 0.00 C ATOM 500 CD1 LEU A 66 -1.775 13.235 6.165 1.00 0.00 C ATOM 501 CD2 LEU A 66 -2.130 10.753 6.285 1.00 0.00 C ATOM 0 H LEU A 66 -6.380 11.662 6.077 1.00 0.00 H new ATOM 0 HA LEU A 66 -5.323 13.977 7.193 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -3.781 12.582 7.806 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -4.578 11.334 6.869 1.00 0.00 H new ATOM 0 HG LEU A 66 -3.104 12.117 4.920 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -0.891 13.041 5.557 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -2.221 14.183 5.864 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -1.489 13.286 7.216 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -1.226 10.640 5.686 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -1.871 10.717 7.343 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -2.822 9.944 6.053 1.00 0.00 H new ATOM 513 N ILE A 67 -4.720 13.801 3.958 1.00 0.00 N ATOM 514 CA ILE A 67 -4.275 14.584 2.803 1.00 0.00 C ATOM 515 C ILE A 67 -5.187 15.799 2.630 1.00 0.00 C ATOM 516 O ILE A 67 -4.686 16.915 2.495 1.00 0.00 O ATOM 517 CB ILE A 67 -4.227 13.706 1.536 1.00 0.00 C ATOM 518 CG1 ILE A 67 -3.249 12.526 1.706 1.00 0.00 C ATOM 519 CG2 ILE A 67 -3.778 14.511 0.306 1.00 0.00 C ATOM 520 CD1 ILE A 67 -3.578 11.368 0.764 1.00 0.00 C ATOM 0 H ILE A 67 -5.074 12.875 3.716 1.00 0.00 H new ATOM 0 HA ILE A 67 -3.261 14.945 2.973 1.00 0.00 H new ATOM 0 HB ILE A 67 -5.241 13.335 1.387 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -2.232 12.869 1.517 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -3.281 12.175 2.737 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -3.756 13.859 -0.567 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -4.477 15.329 0.131 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -2.782 14.917 0.481 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -2.864 10.559 0.918 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -4.586 11.007 0.970 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -3.520 11.711 -0.269 1.00 0.00 H new ATOM 532 N VAL A 68 -6.513 15.606 2.692 1.00 0.00 N ATOM 533 CA VAL A 68 -7.480 16.707 2.565 1.00 0.00 C ATOM 534 C VAL A 68 -7.222 17.782 3.630 1.00 0.00 C ATOM 535 O VAL A 68 -7.075 18.955 3.276 1.00 0.00 O ATOM 536 CB VAL A 68 -8.950 16.233 2.606 1.00 0.00 C ATOM 537 CG1 VAL A 68 -9.877 17.332 2.070 1.00 0.00 C ATOM 538 CG2 VAL A 68 -9.206 14.972 1.768 1.00 0.00 C ATOM 0 H VAL A 68 -6.942 14.691 2.830 1.00 0.00 H new ATOM 0 HA VAL A 68 -7.326 17.142 1.577 1.00 0.00 H new ATOM 0 HB VAL A 68 -9.155 16.004 3.652 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -10.910 16.985 2.104 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -9.774 18.227 2.684 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -9.607 17.566 1.040 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -10.257 14.694 1.841 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -8.955 15.170 0.726 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -8.588 14.155 2.141 1.00 0.00 H new ATOM 548 N VAL A 69 -7.115 17.389 4.912 1.00 0.00 N ATOM 549 CA VAL A 69 -6.789 18.322 6.005 1.00 0.00 C ATOM 550 C VAL A 69 -5.423 18.987 5.799 1.00 0.00 C ATOM 551 O VAL A 69 -5.335 20.203 5.942 1.00 0.00 O ATOM 552 CB VAL A 69 -6.968 17.720 7.417 1.00 0.00 C ATOM 553 CG1 VAL A 69 -6.065 16.531 7.718 1.00 0.00 C ATOM 554 CG2 VAL A 69 -6.750 18.765 8.518 1.00 0.00 C ATOM 0 H VAL A 69 -7.251 16.425 5.217 1.00 0.00 H new ATOM 0 HA VAL A 69 -7.535 19.115 5.954 1.00 0.00 H new ATOM 0 HB VAL A 69 -8.000 17.368 7.415 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -6.259 16.174 8.729 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -6.267 15.731 7.006 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -5.022 16.836 7.635 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -6.886 18.299 9.494 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -5.739 19.166 8.444 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -7.470 19.574 8.399 1.00 0.00 H new ATOM 564 N TRP A 70 -4.371 18.251 5.414 1.00 0.00 N ATOM 565 CA TRP A 70 -3.048 18.842 5.164 1.00 0.00 C ATOM 566 C TRP A 70 -3.056 19.860 4.022 1.00 0.00 C ATOM 567 O TRP A 70 -2.356 20.867 4.125 1.00 0.00 O ATOM 568 CB TRP A 70 -1.984 17.758 4.922 1.00 0.00 C ATOM 569 CG TRP A 70 -1.082 17.449 6.086 1.00 0.00 C ATOM 570 CD1 TRP A 70 0.208 17.056 5.971 1.00 0.00 C ATOM 571 CD2 TRP A 70 -1.347 17.524 7.525 1.00 0.00 C ATOM 572 NE1 TRP A 70 0.752 16.854 7.224 1.00 0.00 N ATOM 573 CE2 TRP A 70 -0.153 17.161 8.221 1.00 0.00 C ATOM 574 CE3 TRP A 70 -2.453 17.900 8.322 1.00 0.00 C ATOM 575 CZ2 TRP A 70 -0.062 17.185 9.622 1.00 0.00 C ATOM 576 CZ3 TRP A 70 -2.377 17.920 9.725 1.00 0.00 C ATOM 577 CH2 TRP A 70 -1.182 17.574 10.376 1.00 0.00 C ATOM 0 H TRP A 70 -4.411 17.242 5.268 1.00 0.00 H new ATOM 0 HA TRP A 70 -2.785 19.387 6.070 1.00 0.00 H new ATOM 0 HB2 TRP A 70 -2.490 16.839 4.626 1.00 0.00 H new ATOM 0 HB3 TRP A 70 -1.365 18.066 4.080 1.00 0.00 H new ATOM 0 HD1 TRP A 70 0.734 16.920 5.038 1.00 0.00 H new ATOM 0 HE1 TRP A 70 1.701 16.521 7.392 1.00 0.00 H new ATOM 0 HE3 TRP A 70 -3.379 18.179 7.841 1.00 0.00 H new ATOM 0 HZ2 TRP A 70 0.858 16.908 10.114 1.00 0.00 H new ATOM 0 HZ3 TRP A 70 -3.242 18.203 10.306 1.00 0.00 H new ATOM 0 HH2 TRP A 70 -1.124 17.607 11.454 1.00 0.00 H new ATOM 588 N ILE A 71 -3.853 19.635 2.969 1.00 0.00 N ATOM 589 CA ILE A 71 -3.989 20.568 1.847 1.00 0.00 C ATOM 590 C ILE A 71 -4.733 21.838 2.273 1.00 0.00 C ATOM 591 O ILE A 71 -4.220 22.930 2.019 1.00 0.00 O ATOM 592 CB ILE A 71 -4.613 19.870 0.609 1.00 0.00 C ATOM 593 CG1 ILE A 71 -3.502 19.308 -0.308 1.00 0.00 C ATOM 594 CG2 ILE A 71 -5.477 20.815 -0.252 1.00 0.00 C ATOM 595 CD1 ILE A 71 -2.716 18.132 0.278 1.00 0.00 C ATOM 0 H ILE A 71 -4.424 18.795 2.873 1.00 0.00 H new ATOM 0 HA ILE A 71 -2.994 20.890 1.539 1.00 0.00 H new ATOM 0 HB ILE A 71 -5.248 19.079 1.009 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -3.953 18.992 -1.249 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -2.804 20.112 -0.543 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -5.883 20.265 -1.101 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -6.296 21.209 0.350 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -4.863 21.640 -0.615 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -1.960 17.807 -0.437 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -2.230 18.444 1.203 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -3.397 17.307 0.486 1.00 0.00 H new ATOM 607 N THR A 72 -5.919 21.707 2.887 1.00 0.00 N ATOM 608 CA THR A 72 -6.767 22.851 3.275 1.00 0.00 C ATOM 609 C THR A 72 -6.192 23.632 4.460 1.00 0.00 C ATOM 610 O THR A 72 -6.165 24.861 4.429 1.00 0.00 O ATOM 611 CB THR A 72 -8.218 22.406 3.546 1.00 0.00 C ATOM 612 OG1 THR A 72 -9.061 23.518 3.741 1.00 0.00 O ATOM 613 CG2 THR A 72 -8.386 21.509 4.771 1.00 0.00 C ATOM 0 H THR A 72 -6.321 20.802 3.131 1.00 0.00 H new ATOM 0 HA THR A 72 -6.778 23.535 2.426 1.00 0.00 H new ATOM 0 HB THR A 72 -8.489 21.836 2.657 1.00 0.00 H new ATOM 0 HG1 THR A 72 -9.976 23.209 3.909 1.00 0.00 H new ATOM 0 HG21 THR A 72 -9.437 21.244 4.886 1.00 0.00 H new ATOM 0 HG22 THR A 72 -7.795 20.602 4.642 1.00 0.00 H new ATOM 0 HG23 THR A 72 -8.046 22.040 5.660 1.00 0.00 H new ATOM 621 N SER A 73 -5.702 22.932 5.493 1.00 0.00 N ATOM 622 CA SER A 73 -5.088 23.538 6.676 1.00 0.00 C ATOM 623 C SER A 73 -3.652 24.010 6.410 1.00 0.00 C ATOM 624 O SER A 73 -3.130 24.814 7.177 1.00 0.00 O ATOM 625 CB SER A 73 -5.122 22.531 7.835 1.00 0.00 C ATOM 626 OG SER A 73 -4.954 23.168 9.083 1.00 0.00 O ATOM 0 H SER A 73 -5.723 21.913 5.527 1.00 0.00 H new ATOM 0 HA SER A 73 -5.663 24.425 6.940 1.00 0.00 H new ATOM 0 HB2 SER A 73 -6.071 21.995 7.824 1.00 0.00 H new ATOM 0 HB3 SER A 73 -4.336 21.789 7.696 1.00 0.00 H new ATOM 0 HG SER A 73 -4.982 22.499 9.798 1.00 0.00 H new ATOM 632 N ARG A 74 -3.030 23.550 5.306 1.00 0.00 N ATOM 633 CA ARG A 74 -1.637 23.815 4.919 1.00 0.00 C ATOM 634 C ARG A 74 -0.681 23.606 6.096 1.00 0.00 C ATOM 635 O ARG A 74 -0.065 24.555 6.570 1.00 0.00 O ATOM 636 CB ARG A 74 -1.513 25.222 4.295 1.00 0.00 C ATOM 637 CG ARG A 74 -1.874 25.296 2.809 1.00 0.00 C ATOM 638 CD ARG A 74 -0.890 24.484 1.951 1.00 0.00 C ATOM 639 NE ARG A 74 -0.869 24.944 0.552 1.00 0.00 N ATOM 640 CZ ARG A 74 -1.776 24.713 -0.390 1.00 0.00 C ATOM 641 NH1 ARG A 74 -2.868 24.011 -0.183 1.00 0.00 N ATOM 642 NH2 ARG A 74 -1.598 25.212 -1.590 1.00 0.00 N ATOM 0 H ARG A 74 -3.511 22.956 4.631 1.00 0.00 H new ATOM 0 HA ARG A 74 -1.342 23.094 4.157 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -2.157 25.907 4.846 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -0.489 25.573 4.424 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -2.886 24.919 2.660 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -1.870 26.336 2.484 1.00 0.00 H new ATOM 0 HD2 ARG A 74 0.111 24.564 2.374 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -1.166 23.430 1.982 1.00 0.00 H new ATOM 0 HE ARG A 74 -0.064 25.505 0.274 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -3.051 23.613 0.738 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -3.532 23.864 -0.943 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -0.769 25.771 -1.792 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -2.288 25.041 -2.321 1.00 0.00 H new ATOM 656 N SER A 75 -0.542 22.346 6.535 1.00 0.00 N ATOM 657 CA SER A 75 0.306 21.975 7.680 1.00 0.00 C ATOM 658 C SER A 75 1.706 22.594 7.581 1.00 0.00 C ATOM 659 O SER A 75 2.000 23.552 8.295 1.00 0.00 O ATOM 660 CB SER A 75 0.382 20.452 7.844 1.00 0.00 C ATOM 661 OG SER A 75 1.421 20.117 8.744 1.00 0.00 O ATOM 0 H SER A 75 -1.016 21.552 6.105 1.00 0.00 H new ATOM 0 HA SER A 75 -0.164 22.385 8.574 1.00 0.00 H new ATOM 0 HB2 SER A 75 -0.569 20.069 8.214 1.00 0.00 H new ATOM 0 HB3 SER A 75 0.561 19.982 6.877 1.00 0.00 H new ATOM 0 HG SER A 75 1.265 19.219 9.104 1.00 0.00 H new ATOM 667 N ARG A 76 2.557 22.050 6.694 1.00 0.00 N ATOM 668 CA ARG A 76 3.920 22.497 6.392 1.00 0.00 C ATOM 669 C ARG A 76 4.334 22.030 4.994 1.00 0.00 C ATOM 670 O ARG A 76 3.607 21.286 4.337 1.00 0.00 O ATOM 671 CB ARG A 76 4.909 21.963 7.460 1.00 0.00 C ATOM 672 CG ARG A 76 4.823 22.626 8.848 1.00 0.00 C ATOM 673 CD ARG A 76 4.989 24.153 8.761 1.00 0.00 C ATOM 674 NE ARG A 76 4.903 24.816 10.073 1.00 0.00 N ATOM 675 CZ ARG A 76 5.223 26.081 10.320 1.00 0.00 C ATOM 676 NH1 ARG A 76 5.613 26.888 9.362 1.00 0.00 N ATOM 677 NH2 ARG A 76 5.168 26.571 11.536 1.00 0.00 N ATOM 0 H ARG A 76 2.292 21.238 6.137 1.00 0.00 H new ATOM 0 HA ARG A 76 3.945 23.587 6.413 1.00 0.00 H new ATOM 0 HB2 ARG A 76 4.742 20.893 7.579 1.00 0.00 H new ATOM 0 HB3 ARG A 76 5.924 22.087 7.082 1.00 0.00 H new ATOM 0 HG2 ARG A 76 3.862 22.390 9.305 1.00 0.00 H new ATOM 0 HG3 ARG A 76 5.595 22.213 9.497 1.00 0.00 H new ATOM 0 HD2 ARG A 76 5.952 24.383 8.306 1.00 0.00 H new ATOM 0 HD3 ARG A 76 4.221 24.560 8.103 1.00 0.00 H new ATOM 0 HE ARG A 76 4.570 24.257 10.858 1.00 0.00 H new ATOM 0 HH11 ARG A 76 5.676 26.548 8.402 1.00 0.00 H new ATOM 0 HH12 ARG A 76 5.853 27.856 9.577 1.00 0.00 H new ATOM 0 HH21 ARG A 76 4.875 25.978 12.312 1.00 0.00 H new ATOM 0 HH22 ARG A 76 5.418 27.545 11.705 1.00 0.00 H new ATOM 691 N LYS A 77 5.525 22.451 4.551 1.00 0.00 N ATOM 692 CA LYS A 77 6.177 22.020 3.308 1.00 0.00 C ATOM 693 C LYS A 77 6.734 20.594 3.453 1.00 0.00 C ATOM 694 O LYS A 77 7.943 20.370 3.390 1.00 0.00 O ATOM 695 CB LYS A 77 7.272 23.024 2.893 1.00 0.00 C ATOM 696 CG LYS A 77 6.762 24.441 2.562 1.00 0.00 C ATOM 697 CD LYS A 77 6.752 25.382 3.778 1.00 0.00 C ATOM 698 CE LYS A 77 6.468 26.836 3.373 1.00 0.00 C ATOM 699 NZ LYS A 77 5.019 27.113 3.215 1.00 0.00 N ATOM 0 H LYS A 77 6.084 23.129 5.070 1.00 0.00 H new ATOM 0 HA LYS A 77 5.433 22.000 2.512 1.00 0.00 H new ATOM 0 HB2 LYS A 77 8.003 23.096 3.698 1.00 0.00 H new ATOM 0 HB3 LYS A 77 7.795 22.629 2.022 1.00 0.00 H new ATOM 0 HG2 LYS A 77 7.389 24.873 1.782 1.00 0.00 H new ATOM 0 HG3 LYS A 77 5.753 24.371 2.157 1.00 0.00 H new ATOM 0 HD2 LYS A 77 5.996 25.049 4.489 1.00 0.00 H new ATOM 0 HD3 LYS A 77 7.714 25.328 4.287 1.00 0.00 H new ATOM 0 HE2 LYS A 77 6.882 27.506 4.126 1.00 0.00 H new ATOM 0 HE3 LYS A 77 6.980 27.055 2.436 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 4.883 28.107 2.941 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 4.626 26.494 2.477 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 4.531 26.932 4.115 1.00 0.00 H new ATOM 713 N THR A 78 5.840 19.627 3.681 1.00 0.00 N ATOM 714 CA THR A 78 6.173 18.199 3.740 1.00 0.00 C ATOM 715 C THR A 78 6.850 17.720 2.449 1.00 0.00 C ATOM 716 O THR A 78 6.557 18.248 1.373 1.00 0.00 O ATOM 717 CB THR A 78 4.925 17.332 3.993 1.00 0.00 C ATOM 718 OG1 THR A 78 3.761 17.946 3.480 1.00 0.00 O ATOM 719 CG2 THR A 78 4.715 17.052 5.480 1.00 0.00 C ATOM 0 H THR A 78 4.849 19.816 3.832 1.00 0.00 H new ATOM 0 HA THR A 78 6.866 18.085 4.574 1.00 0.00 H new ATOM 0 HB THR A 78 5.100 16.388 3.476 1.00 0.00 H new ATOM 0 HG1 THR A 78 2.985 17.373 3.653 1.00 0.00 H new ATOM 0 HG21 THR A 78 3.824 16.438 5.612 1.00 0.00 H new ATOM 0 HG22 THR A 78 5.582 16.524 5.877 1.00 0.00 H new ATOM 0 HG23 THR A 78 4.588 17.994 6.013 1.00 0.00 H new ATOM 727 N PRO A 79 7.714 16.690 2.526 1.00 0.00 N ATOM 728 CA PRO A 79 8.437 16.181 1.369 1.00 0.00 C ATOM 729 C PRO A 79 7.471 15.568 0.347 1.00 0.00 C ATOM 730 O PRO A 79 6.655 14.706 0.681 1.00 0.00 O ATOM 731 CB PRO A 79 9.448 15.167 1.920 1.00 0.00 C ATOM 732 CG PRO A 79 8.836 14.718 3.243 1.00 0.00 C ATOM 733 CD PRO A 79 8.059 15.936 3.725 1.00 0.00 C ATOM 0 HA PRO A 79 8.956 16.971 0.827 1.00 0.00 H new ATOM 0 HB2 PRO A 79 9.584 14.328 1.238 1.00 0.00 H new ATOM 0 HB3 PRO A 79 10.428 15.620 2.067 1.00 0.00 H new ATOM 0 HG2 PRO A 79 8.183 13.856 3.108 1.00 0.00 H new ATOM 0 HG3 PRO A 79 9.604 14.426 3.959 1.00 0.00 H new ATOM 0 HD2 PRO A 79 7.163 15.637 4.270 1.00 0.00 H new ATOM 0 HD3 PRO A 79 8.660 16.539 4.406 1.00 0.00 H new ATOM 849 N VAL A 86 1.662 8.623 -0.116 1.00 0.00 N ATOM 850 CA VAL A 86 0.327 8.590 0.501 1.00 0.00 C ATOM 851 C VAL A 86 -0.763 8.477 -0.570 1.00 0.00 C ATOM 852 O VAL A 86 -1.499 7.492 -0.583 1.00 0.00 O ATOM 853 CB VAL A 86 0.046 9.789 1.437 1.00 0.00 C ATOM 854 CG1 VAL A 86 -1.191 9.481 2.289 1.00 0.00 C ATOM 855 CG2 VAL A 86 1.196 10.122 2.401 1.00 0.00 C ATOM 0 HA VAL A 86 0.309 7.701 1.131 1.00 0.00 H new ATOM 0 HB VAL A 86 -0.093 10.649 0.782 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -1.395 10.322 2.952 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -2.049 9.315 1.638 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -1.009 8.586 2.884 1.00 0.00 H new ATOM 0 HG21 VAL A 86 0.916 10.974 3.020 1.00 0.00 H new ATOM 0 HG22 VAL A 86 1.398 9.261 3.038 1.00 0.00 H new ATOM 0 HG23 VAL A 86 2.091 10.367 1.829 1.00 0.00 H new ATOM 865 N SER A 87 -0.867 9.460 -1.478 1.00 0.00 N ATOM 866 CA SER A 87 -1.877 9.456 -2.545 1.00 0.00 C ATOM 867 C SER A 87 -1.795 8.187 -3.396 1.00 0.00 C ATOM 868 O SER A 87 -2.801 7.503 -3.571 1.00 0.00 O ATOM 869 CB SER A 87 -1.766 10.702 -3.428 1.00 0.00 C ATOM 870 OG SER A 87 -1.942 11.874 -2.655 1.00 0.00 O ATOM 0 H SER A 87 -0.256 10.276 -1.493 1.00 0.00 H new ATOM 0 HA SER A 87 -2.852 9.471 -2.058 1.00 0.00 H new ATOM 0 HB2 SER A 87 -0.791 10.724 -3.916 1.00 0.00 H new ATOM 0 HB3 SER A 87 -2.517 10.664 -4.217 1.00 0.00 H new ATOM 0 HG SER A 87 -1.867 12.662 -3.233 1.00 0.00 H new ATOM 876 N LEU A 88 -0.599 7.840 -3.885 1.00 0.00 N ATOM 877 CA LEU A 88 -0.355 6.632 -4.673 1.00 0.00 C ATOM 878 C LEU A 88 -0.836 5.384 -3.938 1.00 0.00 C ATOM 879 O LEU A 88 -1.631 4.639 -4.507 1.00 0.00 O ATOM 880 CB LEU A 88 1.136 6.531 -5.040 1.00 0.00 C ATOM 881 CG LEU A 88 1.506 7.179 -6.388 1.00 0.00 C ATOM 882 CD1 LEU A 88 0.999 8.614 -6.579 1.00 0.00 C ATOM 883 CD2 LEU A 88 3.028 7.174 -6.533 1.00 0.00 C ATOM 0 H LEU A 88 0.240 8.402 -3.740 1.00 0.00 H new ATOM 0 HA LEU A 88 -0.930 6.700 -5.596 1.00 0.00 H new ATOM 0 HB2 LEU A 88 1.724 7.001 -4.252 1.00 0.00 H new ATOM 0 HB3 LEU A 88 1.421 5.479 -5.066 1.00 0.00 H new ATOM 0 HG LEU A 88 1.010 6.582 -7.153 1.00 0.00 H new ATOM 0 HD11 LEU A 88 1.310 8.983 -7.557 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -0.089 8.627 -6.515 1.00 0.00 H new ATOM 0 HD13 LEU A 88 1.416 9.254 -5.801 1.00 0.00 H new ATOM 0 HD21 LEU A 88 3.304 7.630 -7.484 1.00 0.00 H new ATOM 0 HD22 LEU A 88 3.473 7.741 -5.715 1.00 0.00 H new ATOM 0 HD23 LEU A 88 3.393 6.147 -6.504 1.00 0.00 H new ATOM 895 N PHE A 89 -0.406 5.168 -2.688 1.00 0.00 N ATOM 896 CA PHE A 89 -0.827 4.026 -1.875 1.00 0.00 C ATOM 897 C PHE A 89 -2.349 3.855 -1.876 1.00 0.00 C ATOM 898 O PHE A 89 -2.819 2.745 -2.113 1.00 0.00 O ATOM 899 CB PHE A 89 -0.268 4.157 -0.451 1.00 0.00 C ATOM 900 CG PHE A 89 -0.764 3.090 0.505 1.00 0.00 C ATOM 901 CD1 PHE A 89 -0.182 1.809 0.495 1.00 0.00 C ATOM 902 CD2 PHE A 89 -1.830 3.370 1.383 1.00 0.00 C ATOM 903 CE1 PHE A 89 -0.667 0.809 1.357 1.00 0.00 C ATOM 904 CE2 PHE A 89 -2.313 2.370 2.245 1.00 0.00 C ATOM 905 CZ PHE A 89 -1.732 1.090 2.233 1.00 0.00 C ATOM 0 H PHE A 89 0.249 5.788 -2.211 1.00 0.00 H new ATOM 0 HA PHE A 89 -0.416 3.120 -2.321 1.00 0.00 H new ATOM 0 HB2 PHE A 89 0.820 4.115 -0.493 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -0.534 5.137 -0.056 1.00 0.00 H new ATOM 0 HD1 PHE A 89 0.637 1.594 -0.175 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -2.276 4.353 1.394 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -0.222 -0.175 1.347 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -3.131 2.585 2.917 1.00 0.00 H new ATOM 0 HZ PHE A 89 -2.103 0.322 2.896 1.00 0.00 H new ATOM 915 N LEU A 90 -3.112 4.943 -1.696 1.00 0.00 N ATOM 916 CA LEU A 90 -4.580 4.933 -1.725 1.00 0.00 C ATOM 917 C LEU A 90 -5.137 4.379 -3.037 1.00 0.00 C ATOM 918 O LEU A 90 -5.903 3.412 -3.028 1.00 0.00 O ATOM 919 CB LEU A 90 -5.135 6.353 -1.504 1.00 0.00 C ATOM 920 CG LEU A 90 -4.756 6.948 -0.150 1.00 0.00 C ATOM 921 CD1 LEU A 90 -4.949 8.462 -0.147 1.00 0.00 C ATOM 922 CD2 LEU A 90 -5.597 6.318 0.944 1.00 0.00 C ATOM 0 H LEU A 90 -2.719 5.868 -1.524 1.00 0.00 H new ATOM 0 HA LEU A 90 -4.900 4.275 -0.917 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -4.767 7.006 -2.295 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -6.221 6.328 -1.590 1.00 0.00 H new ATOM 0 HG LEU A 90 -3.703 6.736 0.036 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -4.672 8.862 0.828 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -4.319 8.911 -0.915 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -5.994 8.696 -0.352 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -5.321 6.747 1.907 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -6.652 6.511 0.749 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -5.423 5.242 0.963 1.00 0.00 H new ATOM 934 N ILE A 91 -4.764 4.998 -4.162 1.00 0.00 N ATOM 935 CA ILE A 91 -5.256 4.592 -5.483 1.00 0.00 C ATOM 936 C ILE A 91 -4.792 3.171 -5.812 1.00 0.00 C ATOM 937 O ILE A 91 -5.601 2.357 -6.252 1.00 0.00 O ATOM 938 CB ILE A 91 -4.817 5.590 -6.577 1.00 0.00 C ATOM 939 CG1 ILE A 91 -5.360 7.017 -6.293 1.00 0.00 C ATOM 940 CG2 ILE A 91 -5.311 5.125 -7.959 1.00 0.00 C ATOM 941 CD1 ILE A 91 -4.265 8.085 -6.170 1.00 0.00 C ATOM 0 H ILE A 91 -4.118 5.787 -4.184 1.00 0.00 H new ATOM 0 HA ILE A 91 -6.346 4.598 -5.456 1.00 0.00 H new ATOM 0 HB ILE A 91 -3.728 5.623 -6.570 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -6.043 7.301 -7.093 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -5.940 6.998 -5.371 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -4.993 5.839 -8.718 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -4.891 4.145 -8.185 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -6.399 5.061 -7.954 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -4.723 9.054 -5.972 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -3.595 7.826 -5.351 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -3.699 8.134 -7.100 1.00 0.00 H new ATOM 953 N ILE A 92 -3.508 2.861 -5.590 1.00 0.00 N ATOM 954 CA ILE A 92 -2.923 1.540 -5.848 1.00 0.00 C ATOM 955 C ILE A 92 -3.661 0.461 -5.044 1.00 0.00 C ATOM 956 O ILE A 92 -4.033 -0.564 -5.617 1.00 0.00 O ATOM 957 CB ILE A 92 -1.402 1.544 -5.570 1.00 0.00 C ATOM 958 CG1 ILE A 92 -0.650 2.502 -6.526 1.00 0.00 C ATOM 959 CG2 ILE A 92 -0.829 0.122 -5.714 1.00 0.00 C ATOM 960 CD1 ILE A 92 0.736 2.892 -5.992 1.00 0.00 C ATOM 0 H ILE A 92 -2.836 3.533 -5.220 1.00 0.00 H new ATOM 0 HA ILE A 92 -3.048 1.300 -6.904 1.00 0.00 H new ATOM 0 HB ILE A 92 -1.258 1.896 -4.549 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -0.540 2.026 -7.501 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -1.245 3.403 -6.676 1.00 0.00 H new ATOM 0 HG21 ILE A 92 0.243 0.140 -5.516 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -1.319 -0.542 -5.002 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -1.004 -0.240 -6.727 1.00 0.00 H new ATOM 0 HD11 ILE A 92 1.222 3.564 -6.699 1.00 0.00 H new ATOM 0 HD12 ILE A 92 0.628 3.393 -5.030 1.00 0.00 H new ATOM 0 HD13 ILE A 92 1.343 1.996 -5.868 1.00 0.00 H new ATOM 972 N LEU A 93 -3.936 0.714 -3.756 1.00 0.00 N ATOM 973 CA LEU A 93 -4.787 -0.115 -2.903 1.00 0.00 C ATOM 974 C LEU A 93 -6.174 -0.306 -3.525 1.00 0.00 C ATOM 975 O LEU A 93 -6.575 -1.446 -3.757 1.00 0.00 O ATOM 976 CB LEU A 93 -4.841 0.508 -1.492 1.00 0.00 C ATOM 977 CG LEU A 93 -5.990 0.054 -0.575 1.00 0.00 C ATOM 978 CD1 LEU A 93 -6.010 -1.463 -0.379 1.00 0.00 C ATOM 979 CD2 LEU A 93 -5.868 0.740 0.785 1.00 0.00 C ATOM 0 H LEU A 93 -3.559 1.527 -3.269 1.00 0.00 H new ATOM 0 HA LEU A 93 -4.363 -1.115 -2.814 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -3.899 0.291 -0.989 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -4.902 1.591 -1.601 1.00 0.00 H new ATOM 0 HG LEU A 93 -6.924 0.338 -1.060 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -6.838 -1.734 0.275 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -6.135 -1.953 -1.345 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -5.071 -1.784 0.072 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -6.684 0.415 1.431 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -4.915 0.474 1.243 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -5.918 1.821 0.653 1.00 0.00 H new ATOM 991 N HIS A 94 -6.904 0.785 -3.789 1.00 0.00 N ATOM 992 CA HIS A 94 -8.276 0.714 -4.297 1.00 0.00 C ATOM 993 C HIS A 94 -8.353 -0.051 -5.628 1.00 0.00 C ATOM 994 O HIS A 94 -9.193 -0.938 -5.781 1.00 0.00 O ATOM 995 CB HIS A 94 -8.869 2.126 -4.418 1.00 0.00 C ATOM 996 CG HIS A 94 -10.354 2.141 -4.169 1.00 0.00 C ATOM 997 ND1 HIS A 94 -10.944 2.188 -2.925 1.00 0.00 N ATOM 998 CD2 HIS A 94 -11.352 2.062 -5.103 1.00 0.00 C ATOM 999 CE1 HIS A 94 -12.275 2.133 -3.107 1.00 0.00 C ATOM 1000 NE2 HIS A 94 -12.569 2.071 -4.414 1.00 0.00 N ATOM 0 H HIS A 94 -6.561 1.736 -3.657 1.00 0.00 H new ATOM 0 HA HIS A 94 -8.875 0.151 -3.581 1.00 0.00 H new ATOM 0 HB2 HIS A 94 -8.376 2.788 -3.706 1.00 0.00 H new ATOM 0 HB3 HIS A 94 -8.665 2.520 -5.414 1.00 0.00 H new ATOM 0 HD2 HIS A 94 -11.223 2.004 -6.174 1.00 0.00 H new ATOM 0 HE1 HIS A 94 -13.006 2.138 -2.312 1.00 0.00 H new ATOM 0 HE2 HIS A 94 -13.501 2.037 -4.826 1.00 0.00 H new ATOM 1008 N SER A 95 -7.432 0.248 -6.553 1.00 0.00 N ATOM 1009 CA SER A 95 -7.260 -0.456 -7.824 1.00 0.00 C ATOM 1010 C SER A 95 -6.978 -1.938 -7.608 1.00 0.00 C ATOM 1011 O SER A 95 -7.722 -2.763 -8.128 1.00 0.00 O ATOM 1012 CB SER A 95 -6.130 0.169 -8.646 1.00 0.00 C ATOM 1013 OG SER A 95 -6.555 1.398 -9.193 1.00 0.00 O ATOM 0 H SER A 95 -6.766 1.011 -6.431 1.00 0.00 H new ATOM 0 HA SER A 95 -8.196 -0.360 -8.374 1.00 0.00 H new ATOM 0 HB2 SER A 95 -5.254 0.325 -8.016 1.00 0.00 H new ATOM 0 HB3 SER A 95 -5.831 -0.510 -9.445 1.00 0.00 H new ATOM 0 HG SER A 95 -5.826 1.793 -9.716 1.00 0.00 H new ATOM 1019 N ALA A 96 -5.935 -2.291 -6.843 1.00 0.00 N ATOM 1020 CA ALA A 96 -5.594 -3.685 -6.569 1.00 0.00 C ATOM 1021 C ALA A 96 -6.771 -4.442 -5.938 1.00 0.00 C ATOM 1022 O ALA A 96 -7.084 -5.538 -6.395 1.00 0.00 O ATOM 1023 CB ALA A 96 -4.340 -3.753 -5.689 1.00 0.00 C ATOM 0 H ALA A 96 -5.309 -1.618 -6.401 1.00 0.00 H new ATOM 0 HA ALA A 96 -5.377 -4.180 -7.516 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -4.092 -4.795 -5.489 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -3.507 -3.274 -6.204 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -4.528 -3.238 -4.747 1.00 0.00 H new ATOM 1029 N LEU A 97 -7.451 -3.853 -4.944 1.00 0.00 N ATOM 1030 CA LEU A 97 -8.651 -4.419 -4.329 1.00 0.00 C ATOM 1031 C LEU A 97 -9.750 -4.684 -5.354 1.00 0.00 C ATOM 1032 O LEU A 97 -10.135 -5.839 -5.537 1.00 0.00 O ATOM 1033 CB LEU A 97 -9.187 -3.501 -3.213 1.00 0.00 C ATOM 1034 CG LEU A 97 -8.665 -3.837 -1.809 1.00 0.00 C ATOM 1035 CD1 LEU A 97 -9.251 -2.826 -0.819 1.00 0.00 C ATOM 1036 CD2 LEU A 97 -9.075 -5.249 -1.368 1.00 0.00 C ATOM 0 H LEU A 97 -7.175 -2.957 -4.542 1.00 0.00 H new ATOM 0 HA LEU A 97 -8.359 -5.375 -3.894 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -8.922 -2.470 -3.449 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -10.276 -3.556 -3.205 1.00 0.00 H new ATOM 0 HG LEU A 97 -7.576 -3.792 -1.830 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -8.891 -3.049 0.185 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -8.941 -1.820 -1.100 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -10.339 -2.889 -0.836 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -8.685 -5.446 -0.369 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -10.162 -5.325 -1.355 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -8.669 -5.981 -2.067 1.00 0.00 H new ATOM 1048 N TYR A 98 -10.263 -3.629 -6.005 1.00 0.00 N ATOM 1049 CA TYR A 98 -11.372 -3.755 -6.947 1.00 0.00 C ATOM 1050 C TYR A 98 -11.000 -4.728 -8.070 1.00 0.00 C ATOM 1051 O TYR A 98 -11.769 -5.644 -8.357 1.00 0.00 O ATOM 1052 CB TYR A 98 -11.792 -2.376 -7.488 1.00 0.00 C ATOM 1053 CG TYR A 98 -13.272 -2.229 -7.820 1.00 0.00 C ATOM 1054 CD1 TYR A 98 -13.934 -3.166 -8.640 1.00 0.00 C ATOM 1055 CD2 TYR A 98 -13.991 -1.124 -7.320 1.00 0.00 C ATOM 1056 CE1 TYR A 98 -15.293 -3.006 -8.966 1.00 0.00 C ATOM 1057 CE2 TYR A 98 -15.350 -0.950 -7.651 1.00 0.00 C ATOM 1058 CZ TYR A 98 -16.003 -1.885 -8.479 1.00 0.00 C ATOM 1059 OH TYR A 98 -17.305 -1.699 -8.830 1.00 0.00 O ATOM 0 H TYR A 98 -9.921 -2.675 -5.891 1.00 0.00 H new ATOM 0 HA TYR A 98 -12.237 -4.166 -6.426 1.00 0.00 H new ATOM 0 HB2 TYR A 98 -11.525 -1.618 -6.751 1.00 0.00 H new ATOM 0 HB3 TYR A 98 -11.212 -2.165 -8.387 1.00 0.00 H new ATOM 0 HD1 TYR A 98 -13.391 -4.017 -9.023 1.00 0.00 H new ATOM 0 HD2 TYR A 98 -13.498 -0.407 -6.680 1.00 0.00 H new ATOM 0 HE1 TYR A 98 -15.792 -3.737 -9.586 1.00 0.00 H new ATOM 0 HE2 TYR A 98 -15.892 -0.098 -7.269 1.00 0.00 H new ATOM 0 HH TYR A 98 -17.644 -0.882 -8.408 1.00 0.00 H new ATOM 1069 N PHE A 99 -9.802 -4.582 -8.656 1.00 0.00 N ATOM 1070 CA PHE A 99 -9.296 -5.461 -9.704 1.00 0.00 C ATOM 1071 C PHE A 99 -9.255 -6.921 -9.245 1.00 0.00 C ATOM 1072 O PHE A 99 -9.879 -7.770 -9.874 1.00 0.00 O ATOM 1073 CB PHE A 99 -7.933 -4.979 -10.212 1.00 0.00 C ATOM 1074 CG PHE A 99 -7.499 -5.643 -11.504 1.00 0.00 C ATOM 1075 CD1 PHE A 99 -8.290 -5.498 -12.660 1.00 0.00 C ATOM 1076 CD2 PHE A 99 -6.306 -6.386 -11.562 1.00 0.00 C ATOM 1077 CE1 PHE A 99 -7.904 -6.111 -13.864 1.00 0.00 C ATOM 1078 CE2 PHE A 99 -5.912 -6.987 -12.772 1.00 0.00 C ATOM 1079 CZ PHE A 99 -6.713 -6.854 -13.920 1.00 0.00 C ATOM 0 H PHE A 99 -9.153 -3.836 -8.406 1.00 0.00 H new ATOM 0 HA PHE A 99 -9.991 -5.417 -10.543 1.00 0.00 H new ATOM 0 HB2 PHE A 99 -7.971 -3.900 -10.362 1.00 0.00 H new ATOM 0 HB3 PHE A 99 -7.181 -5.168 -9.446 1.00 0.00 H new ATOM 0 HD1 PHE A 99 -9.197 -4.913 -12.621 1.00 0.00 H new ATOM 0 HD2 PHE A 99 -5.693 -6.495 -10.679 1.00 0.00 H new ATOM 0 HE1 PHE A 99 -8.522 -6.011 -14.744 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -4.992 -7.552 -12.819 1.00 0.00 H new ATOM 0 HZ PHE A 99 -6.413 -7.323 -14.845 1.00 0.00 H new ATOM 1089 N LYS A 100 -8.594 -7.232 -8.121 1.00 0.00 N ATOM 1090 CA LYS A 100 -8.568 -8.595 -7.571 1.00 0.00 C ATOM 1091 C LYS A 100 -9.980 -9.125 -7.288 1.00 0.00 C ATOM 1092 O LYS A 100 -10.247 -10.286 -7.583 1.00 0.00 O ATOM 1093 CB LYS A 100 -7.661 -8.656 -6.334 1.00 0.00 C ATOM 1094 CG LYS A 100 -6.177 -8.487 -6.719 1.00 0.00 C ATOM 1095 CD LYS A 100 -5.259 -8.130 -5.536 1.00 0.00 C ATOM 1096 CE LYS A 100 -4.956 -9.328 -4.626 1.00 0.00 C ATOM 1097 NZ LYS A 100 -6.017 -9.564 -3.616 1.00 0.00 N ATOM 0 H LYS A 100 -8.067 -6.553 -7.572 1.00 0.00 H new ATOM 0 HA LYS A 100 -8.143 -9.258 -8.325 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -7.948 -7.874 -5.631 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -7.801 -9.609 -5.825 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -5.823 -9.412 -7.174 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -6.095 -7.708 -7.477 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -4.322 -7.727 -5.920 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -5.727 -7.342 -4.946 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -4.837 -10.222 -5.238 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -4.007 -9.161 -4.117 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -5.602 -10.015 -2.776 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -6.446 -8.656 -3.345 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -6.747 -10.186 -4.018 1.00 0.00 H new ATOM 1111 N TYR A 101 -10.896 -8.284 -6.801 1.00 0.00 N ATOM 1112 CA TYR A 101 -12.308 -8.624 -6.588 1.00 0.00 C ATOM 1113 C TYR A 101 -13.047 -9.014 -7.888 1.00 0.00 C ATOM 1114 O TYR A 101 -13.811 -9.985 -7.881 1.00 0.00 O ATOM 1115 CB TYR A 101 -12.984 -7.460 -5.839 1.00 0.00 C ATOM 1116 CG TYR A 101 -14.495 -7.422 -5.934 1.00 0.00 C ATOM 1117 CD1 TYR A 101 -15.282 -8.153 -5.024 1.00 0.00 C ATOM 1118 CD2 TYR A 101 -15.108 -6.671 -6.956 1.00 0.00 C ATOM 1119 CE1 TYR A 101 -16.686 -8.149 -5.144 1.00 0.00 C ATOM 1120 CE2 TYR A 101 -16.508 -6.667 -7.083 1.00 0.00 C ATOM 1121 CZ TYR A 101 -17.302 -7.409 -6.181 1.00 0.00 C ATOM 1122 OH TYR A 101 -18.656 -7.404 -6.316 1.00 0.00 O ATOM 0 H TYR A 101 -10.673 -7.324 -6.537 1.00 0.00 H new ATOM 0 HA TYR A 101 -12.363 -9.524 -5.976 1.00 0.00 H new ATOM 0 HB2 TYR A 101 -12.703 -7.514 -4.787 1.00 0.00 H new ATOM 0 HB3 TYR A 101 -12.588 -6.521 -6.226 1.00 0.00 H new ATOM 0 HD1 TYR A 101 -14.809 -8.717 -4.234 1.00 0.00 H new ATOM 0 HD2 TYR A 101 -14.502 -6.098 -7.642 1.00 0.00 H new ATOM 0 HE1 TYR A 101 -17.290 -8.709 -4.446 1.00 0.00 H new ATOM 0 HE2 TYR A 101 -16.977 -6.096 -7.871 1.00 0.00 H new ATOM 0 HH TYR A 101 -18.907 -6.843 -7.080 1.00 0.00 H new ATOM 1132 N LEU A 102 -12.797 -8.309 -9.003 1.00 0.00 N ATOM 1133 CA LEU A 102 -13.405 -8.615 -10.306 1.00 0.00 C ATOM 1134 C LEU A 102 -12.632 -9.662 -11.128 1.00 0.00 C ATOM 1135 O LEU A 102 -13.212 -10.246 -12.039 1.00 0.00 O ATOM 1136 CB LEU A 102 -13.719 -7.316 -11.082 1.00 0.00 C ATOM 1137 CG LEU A 102 -12.523 -6.427 -11.480 1.00 0.00 C ATOM 1138 CD1 LEU A 102 -11.708 -6.960 -12.663 1.00 0.00 C ATOM 1139 CD2 LEU A 102 -12.972 -4.996 -11.800 1.00 0.00 C ATOM 0 H LEU A 102 -12.165 -7.508 -9.025 1.00 0.00 H new ATOM 0 HA LEU A 102 -14.357 -9.107 -10.106 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -14.256 -7.587 -11.991 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -14.399 -6.717 -10.477 1.00 0.00 H new ATOM 0 HG LEU A 102 -11.873 -6.438 -10.605 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -10.887 -6.276 -12.877 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -11.306 -7.942 -12.415 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -12.350 -7.042 -13.540 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -12.105 -4.396 -12.077 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -13.680 -5.014 -12.628 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -13.450 -4.560 -10.923 1.00 0.00 H new ATOM 1151 N LEU A 103 -11.365 -9.956 -10.794 1.00 0.00 N ATOM 1152 CA LEU A 103 -10.529 -10.934 -11.504 1.00 0.00 C ATOM 1153 C LEU A 103 -10.554 -12.320 -10.828 1.00 0.00 C ATOM 1154 O LEU A 103 -10.625 -13.330 -11.525 1.00 0.00 O ATOM 1155 CB LEU A 103 -9.114 -10.343 -11.754 1.00 0.00 C ATOM 1156 CG LEU A 103 -7.983 -10.849 -10.833 1.00 0.00 C ATOM 1157 CD1 LEU A 103 -7.404 -12.178 -11.348 1.00 0.00 C ATOM 1158 CD2 LEU A 103 -6.848 -9.829 -10.703 1.00 0.00 C ATOM 0 H LEU A 103 -10.886 -9.513 -10.010 1.00 0.00 H new ATOM 0 HA LEU A 103 -10.951 -11.125 -12.491 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -8.834 -10.554 -12.786 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -9.175 -9.259 -11.656 1.00 0.00 H new ATOM 0 HG LEU A 103 -8.430 -11.000 -9.850 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -6.609 -12.512 -10.681 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -8.192 -12.931 -11.379 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -7.000 -12.035 -12.350 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -6.075 -10.227 -10.046 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -6.422 -9.631 -11.687 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -7.238 -8.902 -10.284 1.00 0.00 H new