USER MOD reduce.3.24.130724 H: found=0, std=0, add=424, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 426 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 49 GLN :FLIP amide:sc= -0.0426 F(o=-1.3!,f=-0.043) USER MOD Single : A 51 MET CE :methyl -150:sc= -1.79! (180deg=-4.11!) USER MOD Single : A 53 ASN : amide:sc= -0.477 X(o=-0.48,f=0) USER MOD Single : A 60 ASN : amide:sc= -0.817! C(o=-0.82!,f=-3.8!) USER MOD Single : A 62 THR OG1 : rot 140:sc= -0.943 USER MOD Single : A 70 THR OG1 : rot 86:sc= 0.502 USER MOD Single : A 71 MET CE :methyl -154:sc= 0 (180deg=-1.05) USER MOD Single : A 72 MET CE :methyl -170:sc=-0.00379 (180deg=-0.161) USER MOD Single : A 94 LYS NZ :NH3+ 170:sc= -0.0069 (180deg=-0.199) USER MOD Single : A 97 ASN :FLIP amide:sc= -1.16 F(o=-4.1!,f=-1.2) USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 SER OG : rot 107:sc= 0.279 USER MOD Single : A 107 HIS : no HE2:sc= 0.356 K(o=0.36,f=-3.1!) USER MOD Single : A 109 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 110 THR OG1 : rot -32:sc= -1.01 USER MOD Single : A 111 ASN : amide:sc= -0.0786 X(o=-0.079,f=-0.53) USER MOD ----------------------------------------------------------------- ATOM 28 N LEU A 48 14.217 0.350 -2.893 1.00 0.00 N ATOM 29 CA LEU A 48 12.872 0.369 -2.348 1.00 0.00 C ATOM 30 C LEU A 48 12.683 1.542 -1.403 1.00 0.00 C ATOM 31 O LEU A 48 11.575 2.050 -1.255 1.00 0.00 O ATOM 32 CB LEU A 48 12.541 -0.949 -1.638 1.00 0.00 C ATOM 33 CG LEU A 48 11.706 -1.923 -2.462 1.00 0.00 C ATOM 34 CD1 LEU A 48 10.419 -1.247 -2.903 1.00 0.00 C ATOM 35 CD2 LEU A 48 12.492 -2.425 -3.664 1.00 0.00 C ATOM 0 HA LEU A 48 12.182 0.487 -3.184 1.00 0.00 H new ATOM 0 HB2 LEU A 48 13.473 -1.439 -1.356 1.00 0.00 H new ATOM 0 HB3 LEU A 48 12.007 -0.725 -0.715 1.00 0.00 H new ATOM 0 HG LEU A 48 11.458 -2.786 -1.844 1.00 0.00 H new ATOM 0 HD11 LEU A 48 9.824 -1.946 -3.492 1.00 0.00 H new ATOM 0 HD12 LEU A 48 9.852 -0.937 -2.025 1.00 0.00 H new ATOM 0 HD13 LEU A 48 10.656 -0.372 -3.509 1.00 0.00 H new ATOM 0 HD21 LEU A 48 11.877 -3.118 -4.237 1.00 0.00 H new ATOM 0 HD22 LEU A 48 12.771 -1.581 -4.295 1.00 0.00 H new ATOM 0 HD23 LEU A 48 13.392 -2.936 -3.322 1.00 0.00 H new ATOM 47 N GLN A 49 13.772 1.986 -0.792 1.00 0.00 N ATOM 48 CA GLN A 49 13.721 3.098 0.149 1.00 0.00 C ATOM 49 C GLN A 49 13.287 4.379 -0.563 1.00 0.00 C ATOM 50 O GLN A 49 12.543 5.186 -0.009 1.00 0.00 O ATOM 51 CB GLN A 49 15.089 3.280 0.808 1.00 0.00 C ATOM 52 CG GLN A 49 15.122 4.333 1.905 1.00 0.00 C ATOM 53 CD GLN A 49 16.451 4.361 2.638 1.00 0.00 C ATOM 54 OE1 GLN A 49 17.089 3.209 2.757 1.00 0.00 O flip ATOM 55 NE2 GLN A 49 16.895 5.410 3.107 1.00 0.00 N flip ATOM 0 H GLN A 49 14.703 1.593 -0.931 1.00 0.00 H new ATOM 0 HA GLN A 49 12.986 2.877 0.923 1.00 0.00 H new ATOM 0 HB2 GLN A 49 15.407 2.325 1.228 1.00 0.00 H new ATOM 0 HB3 GLN A 49 15.815 3.549 0.041 1.00 0.00 H new ATOM 0 HG2 GLN A 49 14.929 5.314 1.470 1.00 0.00 H new ATOM 0 HG3 GLN A 49 14.321 4.137 2.618 1.00 0.00 H new ATOM 0 HE21 GLN A 49 16.374 6.280 2.995 1.00 0.00 H new ATOM 0 HE22 GLN A 49 17.784 5.409 3.607 1.00 0.00 H new ATOM 64 N ASP A 50 13.727 4.539 -1.807 1.00 0.00 N ATOM 65 CA ASP A 50 13.351 5.699 -2.616 1.00 0.00 C ATOM 66 C ASP A 50 11.857 5.669 -2.936 1.00 0.00 C ATOM 67 O ASP A 50 11.172 6.698 -2.885 1.00 0.00 O ATOM 68 CB ASP A 50 14.166 5.736 -3.911 1.00 0.00 C ATOM 69 CG ASP A 50 13.686 6.813 -4.865 1.00 0.00 C ATOM 70 OD1 ASP A 50 14.071 7.987 -4.679 1.00 0.00 O ATOM 71 OD2 ASP A 50 12.922 6.497 -5.802 1.00 0.00 O ATOM 0 H ASP A 50 14.346 3.880 -2.280 1.00 0.00 H new ATOM 0 HA ASP A 50 13.566 6.600 -2.041 1.00 0.00 H new ATOM 0 HB2 ASP A 50 15.216 5.908 -3.672 1.00 0.00 H new ATOM 0 HB3 ASP A 50 14.106 4.765 -4.403 1.00 0.00 H new ATOM 76 N MET A 51 11.349 4.475 -3.236 1.00 0.00 N ATOM 77 CA MET A 51 9.930 4.298 -3.504 1.00 0.00 C ATOM 78 C MET A 51 9.138 4.571 -2.232 1.00 0.00 C ATOM 79 O MET A 51 8.027 5.098 -2.279 1.00 0.00 O ATOM 80 CB MET A 51 9.648 2.874 -4.007 1.00 0.00 C ATOM 81 CG MET A 51 8.195 2.624 -4.408 1.00 0.00 C ATOM 82 SD MET A 51 7.810 3.137 -6.098 1.00 0.00 S ATOM 83 CE MET A 51 7.853 4.925 -5.963 1.00 0.00 C ATOM 0 H MET A 51 11.901 3.619 -3.299 1.00 0.00 H new ATOM 0 HA MET A 51 9.625 5.000 -4.280 1.00 0.00 H new ATOM 0 HB2 MET A 51 10.289 2.671 -4.865 1.00 0.00 H new ATOM 0 HB3 MET A 51 9.924 2.165 -3.227 1.00 0.00 H new ATOM 0 HG2 MET A 51 7.975 1.562 -4.301 1.00 0.00 H new ATOM 0 HG3 MET A 51 7.540 3.156 -3.718 1.00 0.00 H new ATOM 0 HE1 MET A 51 7.163 5.361 -6.685 1.00 0.00 H new ATOM 0 HE2 MET A 51 7.559 5.221 -4.956 1.00 0.00 H new ATOM 0 HE3 MET A 51 8.863 5.281 -6.166 1.00 0.00 H new ATOM 93 N ILE A 52 9.732 4.227 -1.089 1.00 0.00 N ATOM 94 CA ILE A 52 9.128 4.524 0.199 1.00 0.00 C ATOM 95 C ILE A 52 9.066 6.036 0.400 1.00 0.00 C ATOM 96 O ILE A 52 8.037 6.574 0.798 1.00 0.00 O ATOM 97 CB ILE A 52 9.907 3.893 1.381 1.00 0.00 C ATOM 98 CG1 ILE A 52 9.895 2.366 1.282 1.00 0.00 C ATOM 99 CG2 ILE A 52 9.312 4.340 2.709 1.00 0.00 C ATOM 100 CD1 ILE A 52 10.695 1.676 2.365 1.00 0.00 C ATOM 0 H ILE A 52 10.629 3.744 -1.034 1.00 0.00 H new ATOM 0 HA ILE A 52 8.127 4.092 0.190 1.00 0.00 H new ATOM 0 HB ILE A 52 10.941 4.234 1.329 1.00 0.00 H new ATOM 0 HG12 ILE A 52 8.863 2.017 1.327 1.00 0.00 H new ATOM 0 HG13 ILE A 52 10.289 2.071 0.309 1.00 0.00 H new ATOM 0 HG21 ILE A 52 9.871 3.888 3.529 1.00 0.00 H new ATOM 0 HG22 ILE A 52 9.369 5.426 2.786 1.00 0.00 H new ATOM 0 HG23 ILE A 52 8.269 4.027 2.764 1.00 0.00 H new ATOM 0 HD11 ILE A 52 10.638 0.596 2.227 1.00 0.00 H new ATOM 0 HD12 ILE A 52 11.736 1.995 2.308 1.00 0.00 H new ATOM 0 HD13 ILE A 52 10.288 1.939 3.341 1.00 0.00 H new ATOM 112 N ASN A 53 10.168 6.707 0.064 1.00 0.00 N ATOM 113 CA ASN A 53 10.287 8.157 0.233 1.00 0.00 C ATOM 114 C ASN A 53 9.184 8.890 -0.513 1.00 0.00 C ATOM 115 O ASN A 53 8.692 9.925 -0.061 1.00 0.00 O ATOM 116 CB ASN A 53 11.642 8.673 -0.269 1.00 0.00 C ATOM 117 CG ASN A 53 12.753 8.603 0.761 1.00 0.00 C ATOM 118 OD1 ASN A 53 13.611 9.486 0.814 1.00 0.00 O ATOM 119 ND2 ASN A 53 12.770 7.558 1.566 1.00 0.00 N ATOM 0 H ASN A 53 10.998 6.265 -0.330 1.00 0.00 H new ATOM 0 HA ASN A 53 10.200 8.353 1.302 1.00 0.00 H new ATOM 0 HB2 ASN A 53 11.937 8.095 -1.145 1.00 0.00 H new ATOM 0 HB3 ASN A 53 11.527 9.707 -0.594 1.00 0.00 H new ATOM 0 HD21 ASN A 53 13.510 7.462 2.261 1.00 0.00 H new ATOM 0 HD22 ASN A 53 12.043 6.846 1.493 1.00 0.00 H new ATOM 126 N GLU A 54 8.792 8.347 -1.657 1.00 0.00 N ATOM 127 CA GLU A 54 7.780 8.976 -2.489 1.00 0.00 C ATOM 128 C GLU A 54 6.378 8.798 -1.902 1.00 0.00 C ATOM 129 O GLU A 54 5.536 9.685 -2.005 1.00 0.00 O ATOM 130 CB GLU A 54 7.834 8.383 -3.899 1.00 0.00 C ATOM 131 CG GLU A 54 6.888 9.049 -4.883 1.00 0.00 C ATOM 132 CD GLU A 54 7.170 10.526 -5.060 1.00 0.00 C ATOM 133 OE1 GLU A 54 6.617 11.338 -4.289 1.00 0.00 O ATOM 134 OE2 GLU A 54 7.949 10.882 -5.968 1.00 0.00 O ATOM 0 H GLU A 54 9.161 7.472 -2.029 1.00 0.00 H new ATOM 0 HA GLU A 54 7.991 10.045 -2.529 1.00 0.00 H new ATOM 0 HB2 GLU A 54 8.853 8.464 -4.278 1.00 0.00 H new ATOM 0 HB3 GLU A 54 7.597 7.320 -3.845 1.00 0.00 H new ATOM 0 HG2 GLU A 54 6.966 8.551 -5.849 1.00 0.00 H new ATOM 0 HG3 GLU A 54 5.862 8.918 -4.539 1.00 0.00 H new ATOM 141 N VAL A 55 6.136 7.660 -1.271 1.00 0.00 N ATOM 142 CA VAL A 55 4.787 7.314 -0.841 1.00 0.00 C ATOM 143 C VAL A 55 4.530 7.728 0.603 1.00 0.00 C ATOM 144 O VAL A 55 3.402 8.038 0.986 1.00 0.00 O ATOM 145 CB VAL A 55 4.551 5.797 -0.997 1.00 0.00 C ATOM 146 CG1 VAL A 55 5.026 5.006 0.217 1.00 0.00 C ATOM 147 CG2 VAL A 55 3.094 5.513 -1.308 1.00 0.00 C ATOM 0 H VAL A 55 6.848 6.965 -1.046 1.00 0.00 H new ATOM 0 HA VAL A 55 4.091 7.861 -1.477 1.00 0.00 H new ATOM 0 HB VAL A 55 5.155 5.460 -1.839 1.00 0.00 H new ATOM 0 HG11 VAL A 55 4.837 3.945 0.056 1.00 0.00 H new ATOM 0 HG12 VAL A 55 6.094 5.167 0.361 1.00 0.00 H new ATOM 0 HG13 VAL A 55 4.486 5.340 1.103 1.00 0.00 H new ATOM 0 HG21 VAL A 55 2.947 4.438 -1.414 1.00 0.00 H new ATOM 0 HG22 VAL A 55 2.469 5.886 -0.496 1.00 0.00 H new ATOM 0 HG23 VAL A 55 2.817 6.011 -2.237 1.00 0.00 H new ATOM 157 N ASP A 56 5.595 7.711 1.379 1.00 0.00 N ATOM 158 CA ASP A 56 5.543 7.993 2.803 1.00 0.00 C ATOM 159 C ASP A 56 5.105 9.427 3.097 1.00 0.00 C ATOM 160 O ASP A 56 5.919 10.351 3.178 1.00 0.00 O ATOM 161 CB ASP A 56 6.907 7.693 3.393 1.00 0.00 C ATOM 162 CG ASP A 56 6.920 7.735 4.900 1.00 0.00 C ATOM 163 OD1 ASP A 56 5.848 7.533 5.509 1.00 0.00 O ATOM 164 OD2 ASP A 56 7.993 7.999 5.484 1.00 0.00 O ATOM 0 H ASP A 56 6.532 7.499 1.037 1.00 0.00 H new ATOM 0 HA ASP A 56 4.789 7.357 3.267 1.00 0.00 H new ATOM 0 HB2 ASP A 56 7.232 6.707 3.060 1.00 0.00 H new ATOM 0 HB3 ASP A 56 7.629 8.413 3.009 1.00 0.00 H new ATOM 169 N ALA A 57 3.799 9.593 3.219 1.00 0.00 N ATOM 170 CA ALA A 57 3.196 10.886 3.502 1.00 0.00 C ATOM 171 C ALA A 57 3.263 11.255 4.984 1.00 0.00 C ATOM 172 O ALA A 57 3.573 12.398 5.322 1.00 0.00 O ATOM 173 CB ALA A 57 1.757 10.912 3.012 1.00 0.00 C ATOM 0 H ALA A 57 3.125 8.834 3.125 1.00 0.00 H new ATOM 0 HA ALA A 57 3.776 11.636 2.964 1.00 0.00 H new ATOM 0 HB1 ALA A 57 1.316 11.885 3.229 1.00 0.00 H new ATOM 0 HB2 ALA A 57 1.736 10.736 1.936 1.00 0.00 H new ATOM 0 HB3 ALA A 57 1.186 10.134 3.518 1.00 0.00 H new ATOM 179 N ASP A 58 2.986 10.298 5.871 1.00 0.00 N ATOM 180 CA ASP A 58 2.980 10.601 7.308 1.00 0.00 C ATOM 181 C ASP A 58 4.397 10.589 7.841 1.00 0.00 C ATOM 182 O ASP A 58 4.683 11.134 8.908 1.00 0.00 O ATOM 183 CB ASP A 58 2.183 9.579 8.132 1.00 0.00 C ATOM 184 CG ASP A 58 0.987 8.999 7.420 1.00 0.00 C ATOM 185 OD1 ASP A 58 0.005 9.729 7.189 1.00 0.00 O ATOM 186 OD2 ASP A 58 1.036 7.790 7.095 1.00 0.00 O ATOM 0 H ASP A 58 2.768 9.331 5.632 1.00 0.00 H new ATOM 0 HA ASP A 58 2.511 11.580 7.408 1.00 0.00 H new ATOM 0 HB2 ASP A 58 2.848 8.765 8.420 1.00 0.00 H new ATOM 0 HB3 ASP A 58 1.846 10.056 9.052 1.00 0.00 H new ATOM 191 N GLY A 59 5.278 9.954 7.089 1.00 0.00 N ATOM 192 CA GLY A 59 6.647 9.795 7.519 1.00 0.00 C ATOM 193 C GLY A 59 6.804 8.572 8.391 1.00 0.00 C ATOM 194 O GLY A 59 7.845 8.367 9.012 1.00 0.00 O ATOM 0 H GLY A 59 5.066 9.542 6.180 1.00 0.00 H new ATOM 0 HA2 GLY A 59 7.297 9.711 6.648 1.00 0.00 H new ATOM 0 HA3 GLY A 59 6.964 10.681 8.069 1.00 0.00 H new ATOM 198 N ASN A 60 5.754 7.754 8.438 1.00 0.00 N ATOM 199 CA ASN A 60 5.763 6.540 9.238 1.00 0.00 C ATOM 200 C ASN A 60 6.384 5.372 8.472 1.00 0.00 C ATOM 201 O ASN A 60 6.527 4.273 9.005 1.00 0.00 O ATOM 202 CB ASN A 60 4.343 6.206 9.741 1.00 0.00 C ATOM 203 CG ASN A 60 3.301 5.947 8.653 1.00 0.00 C ATOM 204 OD1 ASN A 60 3.420 6.389 7.502 1.00 0.00 O ATOM 205 ND2 ASN A 60 2.232 5.258 9.027 1.00 0.00 N ATOM 0 H ASN A 60 4.885 7.915 7.928 1.00 0.00 H new ATOM 0 HA ASN A 60 6.390 6.715 10.112 1.00 0.00 H new ATOM 0 HB2 ASN A 60 4.401 5.325 10.380 1.00 0.00 H new ATOM 0 HB3 ASN A 60 3.995 7.030 10.364 1.00 0.00 H new ATOM 0 HD21 ASN A 60 1.481 5.080 8.360 1.00 0.00 H new ATOM 0 HD22 ASN A 60 2.161 4.906 9.982 1.00 0.00 H new ATOM 212 N GLY A 61 6.756 5.616 7.220 1.00 0.00 N ATOM 213 CA GLY A 61 7.521 4.640 6.462 1.00 0.00 C ATOM 214 C GLY A 61 6.646 3.621 5.766 1.00 0.00 C ATOM 215 O GLY A 61 7.130 2.592 5.286 1.00 0.00 O ATOM 0 H GLY A 61 6.541 6.475 6.714 1.00 0.00 H new ATOM 0 HA2 GLY A 61 8.128 5.158 5.720 1.00 0.00 H new ATOM 0 HA3 GLY A 61 8.209 4.124 7.132 1.00 0.00 H new ATOM 219 N THR A 62 5.360 3.899 5.715 1.00 0.00 N ATOM 220 CA THR A 62 4.415 2.986 5.107 1.00 0.00 C ATOM 221 C THR A 62 3.161 3.732 4.691 1.00 0.00 C ATOM 222 O THR A 62 2.811 4.763 5.291 1.00 0.00 O ATOM 223 CB THR A 62 4.037 1.845 6.088 1.00 0.00 C ATOM 224 OG1 THR A 62 3.202 0.877 5.437 1.00 0.00 O ATOM 225 CG2 THR A 62 3.318 2.394 7.312 1.00 0.00 C ATOM 0 H THR A 62 4.944 4.752 6.088 1.00 0.00 H new ATOM 0 HA THR A 62 4.887 2.549 4.227 1.00 0.00 H new ATOM 0 HB THR A 62 4.961 1.365 6.409 1.00 0.00 H new ATOM 0 HG1 THR A 62 3.465 -0.024 5.718 1.00 0.00 H new ATOM 0 HG21 THR A 62 3.064 1.574 7.983 1.00 0.00 H new ATOM 0 HG22 THR A 62 3.968 3.099 7.830 1.00 0.00 H new ATOM 0 HG23 THR A 62 2.406 2.903 7.000 1.00 0.00 H new ATOM 233 N ILE A 63 2.496 3.227 3.663 1.00 0.00 N ATOM 234 CA ILE A 63 1.207 3.756 3.293 1.00 0.00 C ATOM 235 C ILE A 63 0.178 3.215 4.266 1.00 0.00 C ATOM 236 O ILE A 63 0.249 2.054 4.684 1.00 0.00 O ATOM 237 CB ILE A 63 0.812 3.419 1.828 1.00 0.00 C ATOM 238 CG1 ILE A 63 0.564 4.710 1.048 1.00 0.00 C ATOM 239 CG2 ILE A 63 -0.421 2.519 1.767 1.00 0.00 C ATOM 240 CD1 ILE A 63 0.077 4.488 -0.368 1.00 0.00 C ATOM 0 H ILE A 63 2.829 2.459 3.080 1.00 0.00 H new ATOM 0 HA ILE A 63 1.252 4.844 3.344 1.00 0.00 H new ATOM 0 HB ILE A 63 1.639 2.873 1.374 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -0.170 5.311 1.584 1.00 0.00 H new ATOM 0 HG13 ILE A 63 1.488 5.288 1.018 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -0.665 2.306 0.726 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -0.216 1.585 2.290 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -1.263 3.023 2.241 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -0.076 5.451 -0.855 1.00 0.00 H new ATOM 0 HD12 ILE A 63 0.820 3.914 -0.922 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -0.864 3.939 -0.347 1.00 0.00 H new ATOM 252 N ASP A 64 -0.739 4.065 4.653 1.00 0.00 N ATOM 253 CA ASP A 64 -1.753 3.715 5.614 1.00 0.00 C ATOM 254 C ASP A 64 -3.078 3.750 4.897 1.00 0.00 C ATOM 255 O ASP A 64 -3.109 4.037 3.698 1.00 0.00 O ATOM 256 CB ASP A 64 -1.754 4.702 6.785 1.00 0.00 C ATOM 257 CG ASP A 64 -0.449 4.700 7.557 1.00 0.00 C ATOM 258 OD1 ASP A 64 0.580 5.180 7.015 1.00 0.00 O ATOM 259 OD2 ASP A 64 -0.437 4.229 8.705 1.00 0.00 O ATOM 0 H ASP A 64 -0.803 5.023 4.309 1.00 0.00 H new ATOM 0 HA ASP A 64 -1.562 2.724 6.026 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -1.946 5.706 6.407 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -2.572 4.454 7.462 1.00 0.00 H new ATOM 264 N PHE A 65 -4.162 3.479 5.594 1.00 0.00 N ATOM 265 CA PHE A 65 -5.478 3.635 4.997 1.00 0.00 C ATOM 266 C PHE A 65 -5.667 5.054 4.439 1.00 0.00 C ATOM 267 O PHE A 65 -6.051 5.206 3.278 1.00 0.00 O ATOM 268 CB PHE A 65 -6.578 3.272 5.997 1.00 0.00 C ATOM 269 CG PHE A 65 -6.602 1.806 6.322 1.00 0.00 C ATOM 270 CD1 PHE A 65 -7.021 0.875 5.386 1.00 0.00 C ATOM 271 CD2 PHE A 65 -6.217 1.364 7.577 1.00 0.00 C ATOM 272 CE1 PHE A 65 -7.057 -0.471 5.697 1.00 0.00 C ATOM 273 CE2 PHE A 65 -6.248 0.022 7.895 1.00 0.00 C ATOM 274 CZ PHE A 65 -6.623 -0.912 6.896 1.00 0.00 C ATOM 0 H PHE A 65 -4.163 3.154 6.561 1.00 0.00 H new ATOM 0 HA PHE A 65 -5.554 2.943 4.159 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -6.432 3.842 6.915 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -7.545 3.566 5.590 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -7.323 1.204 4.403 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -5.888 2.079 8.316 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -7.436 -1.177 4.973 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -5.991 -0.312 8.889 1.00 0.00 H new ATOM 0 HZ PHE A 65 -6.561 -1.972 7.094 1.00 0.00 H new ATOM 284 N PRO A 66 -5.378 6.117 5.229 1.00 0.00 N ATOM 285 CA PRO A 66 -5.433 7.495 4.731 1.00 0.00 C ATOM 286 C PRO A 66 -4.598 7.707 3.467 1.00 0.00 C ATOM 287 O PRO A 66 -5.121 8.172 2.455 1.00 0.00 O ATOM 288 CB PRO A 66 -4.875 8.342 5.886 1.00 0.00 C ATOM 289 CG PRO A 66 -4.283 7.370 6.851 1.00 0.00 C ATOM 290 CD PRO A 66 -5.030 6.084 6.659 1.00 0.00 C ATOM 0 HA PRO A 66 -6.450 7.764 4.446 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -4.123 9.045 5.528 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -5.663 8.930 6.356 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -3.218 7.234 6.663 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -4.382 7.729 7.875 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -4.415 5.219 6.905 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -5.917 6.034 7.290 1.00 0.00 H new ATOM 298 N GLU A 67 -3.310 7.351 3.510 1.00 0.00 N ATOM 299 CA GLU A 67 -2.426 7.593 2.366 1.00 0.00 C ATOM 300 C GLU A 67 -2.881 6.841 1.123 1.00 0.00 C ATOM 301 O GLU A 67 -3.017 7.435 0.060 1.00 0.00 O ATOM 302 CB GLU A 67 -0.993 7.198 2.688 1.00 0.00 C ATOM 303 CG GLU A 67 -0.303 8.130 3.659 1.00 0.00 C ATOM 304 CD GLU A 67 0.871 7.457 4.313 1.00 0.00 C ATOM 305 OE1 GLU A 67 0.731 6.296 4.696 1.00 0.00 O ATOM 306 OE2 GLU A 67 1.924 8.074 4.509 1.00 0.00 O ATOM 0 H GLU A 67 -2.863 6.902 4.309 1.00 0.00 H new ATOM 0 HA GLU A 67 -2.473 8.663 2.162 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -0.989 6.190 3.102 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -0.419 7.164 1.762 1.00 0.00 H new ATOM 0 HG2 GLU A 67 0.033 9.024 3.134 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -1.011 8.455 4.421 1.00 0.00 H new ATOM 313 N PHE A 68 -3.130 5.544 1.258 1.00 0.00 N ATOM 314 CA PHE A 68 -3.427 4.706 0.101 1.00 0.00 C ATOM 315 C PHE A 68 -4.669 5.210 -0.621 1.00 0.00 C ATOM 316 O PHE A 68 -4.674 5.354 -1.842 1.00 0.00 O ATOM 317 CB PHE A 68 -3.620 3.250 0.530 1.00 0.00 C ATOM 318 CG PHE A 68 -3.574 2.264 -0.611 1.00 0.00 C ATOM 319 CD1 PHE A 68 -2.365 1.834 -1.132 1.00 0.00 C ATOM 320 CD2 PHE A 68 -4.749 1.777 -1.168 1.00 0.00 C ATOM 321 CE1 PHE A 68 -2.329 0.936 -2.182 1.00 0.00 C ATOM 322 CE2 PHE A 68 -4.718 0.880 -2.220 1.00 0.00 C ATOM 323 CZ PHE A 68 -3.478 0.432 -2.702 1.00 0.00 C ATOM 0 H PHE A 68 -3.133 5.051 2.151 1.00 0.00 H new ATOM 0 HA PHE A 68 -2.582 4.759 -0.585 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -2.847 2.989 1.253 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -4.579 3.156 1.040 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -1.441 2.204 -0.713 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -5.700 2.103 -0.774 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -1.378 0.632 -2.593 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -5.637 0.528 -2.665 1.00 0.00 H new ATOM 0 HZ PHE A 68 -3.438 -0.312 -3.484 1.00 0.00 H new ATOM 333 N LEU A 69 -5.714 5.486 0.144 1.00 0.00 N ATOM 334 CA LEU A 69 -6.966 5.956 -0.408 1.00 0.00 C ATOM 335 C LEU A 69 -6.868 7.365 -0.966 1.00 0.00 C ATOM 336 O LEU A 69 -7.334 7.635 -2.075 1.00 0.00 O ATOM 337 CB LEU A 69 -8.047 5.890 0.663 1.00 0.00 C ATOM 338 CG LEU A 69 -8.722 4.532 0.789 1.00 0.00 C ATOM 339 CD1 LEU A 69 -9.316 4.147 -0.550 1.00 0.00 C ATOM 340 CD2 LEU A 69 -7.746 3.466 1.265 1.00 0.00 C ATOM 0 H LEU A 69 -5.714 5.390 1.159 1.00 0.00 H new ATOM 0 HA LEU A 69 -7.222 5.304 -1.243 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -7.606 6.154 1.624 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -8.806 6.641 0.443 1.00 0.00 H new ATOM 0 HG LEU A 69 -9.513 4.603 1.536 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -9.801 3.175 -0.467 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -10.050 4.894 -0.851 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -8.525 4.095 -1.298 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -8.262 2.509 1.344 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -6.926 3.379 0.552 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -7.349 3.746 2.241 1.00 0.00 H new ATOM 352 N THR A 70 -6.274 8.264 -0.202 1.00 0.00 N ATOM 353 CA THR A 70 -6.208 9.654 -0.605 1.00 0.00 C ATOM 354 C THR A 70 -5.266 9.844 -1.794 1.00 0.00 C ATOM 355 O THR A 70 -5.590 10.560 -2.737 1.00 0.00 O ATOM 356 CB THR A 70 -5.777 10.557 0.569 1.00 0.00 C ATOM 357 OG1 THR A 70 -6.714 10.417 1.647 1.00 0.00 O ATOM 358 CG2 THR A 70 -5.702 12.017 0.147 1.00 0.00 C ATOM 0 H THR A 70 -5.834 8.057 0.695 1.00 0.00 H new ATOM 0 HA THR A 70 -7.211 9.949 -0.914 1.00 0.00 H new ATOM 0 HB THR A 70 -4.784 10.246 0.892 1.00 0.00 H new ATOM 0 HG1 THR A 70 -6.459 9.652 2.205 1.00 0.00 H new ATOM 0 HG21 THR A 70 -5.396 12.626 0.997 1.00 0.00 H new ATOM 0 HG22 THR A 70 -4.975 12.126 -0.658 1.00 0.00 H new ATOM 0 HG23 THR A 70 -6.681 12.346 -0.201 1.00 0.00 H new ATOM 366 N MET A 71 -4.102 9.210 -1.740 1.00 0.00 N ATOM 367 CA MET A 71 -3.156 9.236 -2.852 1.00 0.00 C ATOM 368 C MET A 71 -3.696 8.481 -4.063 1.00 0.00 C ATOM 369 O MET A 71 -3.255 8.716 -5.187 1.00 0.00 O ATOM 370 CB MET A 71 -1.797 8.671 -2.433 1.00 0.00 C ATOM 371 CG MET A 71 -0.902 9.688 -1.733 1.00 0.00 C ATOM 372 SD MET A 71 -1.674 10.444 -0.287 1.00 0.00 S ATOM 373 CE MET A 71 -0.406 11.615 0.194 1.00 0.00 C ATOM 0 H MET A 71 -3.788 8.669 -0.935 1.00 0.00 H new ATOM 0 HA MET A 71 -3.022 10.279 -3.138 1.00 0.00 H new ATOM 0 HB2 MET A 71 -1.955 7.821 -1.769 1.00 0.00 H new ATOM 0 HB3 MET A 71 -1.282 8.294 -3.316 1.00 0.00 H new ATOM 0 HG2 MET A 71 0.023 9.198 -1.428 1.00 0.00 H new ATOM 0 HG3 MET A 71 -0.630 10.470 -2.441 1.00 0.00 H new ATOM 0 HE1 MET A 71 -0.486 11.820 1.262 1.00 0.00 H new ATOM 0 HE2 MET A 71 0.577 11.197 -0.023 1.00 0.00 H new ATOM 0 HE3 MET A 71 -0.537 12.542 -0.364 1.00 0.00 H new ATOM 383 N MET A 72 -4.629 7.562 -3.833 1.00 0.00 N ATOM 384 CA MET A 72 -5.349 6.952 -4.941 1.00 0.00 C ATOM 385 C MET A 72 -6.241 8.005 -5.587 1.00 0.00 C ATOM 386 O MET A 72 -5.976 8.458 -6.703 1.00 0.00 O ATOM 387 CB MET A 72 -6.201 5.767 -4.470 1.00 0.00 C ATOM 388 CG MET A 72 -6.969 5.090 -5.594 1.00 0.00 C ATOM 389 SD MET A 72 -8.166 3.876 -5.002 1.00 0.00 S ATOM 390 CE MET A 72 -7.082 2.650 -4.271 1.00 0.00 C ATOM 0 H MET A 72 -4.899 7.230 -2.907 1.00 0.00 H new ATOM 0 HA MET A 72 -4.625 6.574 -5.663 1.00 0.00 H new ATOM 0 HB2 MET A 72 -5.555 5.033 -3.988 1.00 0.00 H new ATOM 0 HB3 MET A 72 -6.907 6.114 -3.715 1.00 0.00 H new ATOM 0 HG2 MET A 72 -7.489 5.849 -6.179 1.00 0.00 H new ATOM 0 HG3 MET A 72 -6.263 4.599 -6.264 1.00 0.00 H new ATOM 0 HE1 MET A 72 -7.657 1.758 -4.022 1.00 0.00 H new ATOM 0 HE2 MET A 72 -6.297 2.389 -4.981 1.00 0.00 H new ATOM 0 HE3 MET A 72 -6.632 3.056 -3.365 1.00 0.00 H new ATOM 400 N ALA A 73 -7.269 8.423 -4.847 1.00 0.00 N ATOM 401 CA ALA A 73 -8.197 9.466 -5.285 1.00 0.00 C ATOM 402 C ALA A 73 -7.489 10.751 -5.689 1.00 0.00 C ATOM 403 O ALA A 73 -8.100 11.624 -6.305 1.00 0.00 O ATOM 404 CB ALA A 73 -9.207 9.758 -4.187 1.00 0.00 C ATOM 0 H ALA A 73 -7.482 8.046 -3.923 1.00 0.00 H new ATOM 0 HA ALA A 73 -8.707 9.087 -6.171 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -9.894 10.536 -4.522 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -9.768 8.852 -3.959 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -8.684 10.096 -3.292 1.00 0.00 H new ATOM 410 N ARG A 74 -6.225 10.874 -5.295 1.00 0.00 N ATOM 411 CA ARG A 74 -5.384 11.991 -5.693 1.00 0.00 C ATOM 412 C ARG A 74 -5.589 12.311 -7.170 1.00 0.00 C ATOM 413 O ARG A 74 -5.829 13.459 -7.541 1.00 0.00 O ATOM 414 CB ARG A 74 -3.913 11.657 -5.429 1.00 0.00 C ATOM 415 CG ARG A 74 -2.956 12.824 -5.613 1.00 0.00 C ATOM 416 CD ARG A 74 -1.523 12.407 -5.311 1.00 0.00 C ATOM 417 NE ARG A 74 -0.612 13.552 -5.251 1.00 0.00 N ATOM 418 CZ ARG A 74 0.622 13.498 -4.743 1.00 0.00 C ATOM 419 NH1 ARG A 74 1.124 12.343 -4.327 1.00 0.00 N ATOM 420 NH2 ARG A 74 1.361 14.597 -4.670 1.00 0.00 N ATOM 0 H ARG A 74 -5.757 10.199 -4.690 1.00 0.00 H new ATOM 0 HA ARG A 74 -5.663 12.865 -5.105 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -3.816 11.282 -4.410 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -3.612 10.849 -6.096 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -3.023 13.196 -6.635 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -3.246 13.644 -4.956 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -1.495 11.873 -4.361 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -1.180 11.712 -6.078 1.00 0.00 H new ATOM 0 HE ARG A 74 -0.940 14.445 -5.620 1.00 0.00 H new ATOM 0 HH11 ARG A 74 0.567 11.491 -4.394 1.00 0.00 H new ATOM 0 HH12 ARG A 74 2.067 12.307 -3.940 1.00 0.00 H new ATOM 0 HH21 ARG A 74 0.987 15.486 -5.002 1.00 0.00 H new ATOM 0 HH22 ARG A 74 2.303 14.553 -4.282 1.00 0.00 H new ATOM 544 N GLU A 82 -14.351 -0.651 1.365 1.00 0.00 N ATOM 545 CA GLU A 82 -13.318 -0.456 2.381 1.00 0.00 C ATOM 546 C GLU A 82 -12.786 -1.796 2.879 1.00 0.00 C ATOM 547 O GLU A 82 -11.574 -2.001 2.999 1.00 0.00 O ATOM 548 CB GLU A 82 -13.898 0.345 3.547 1.00 0.00 C ATOM 549 CG GLU A 82 -12.913 0.609 4.671 1.00 0.00 C ATOM 550 CD GLU A 82 -11.712 1.403 4.212 1.00 0.00 C ATOM 551 OE1 GLU A 82 -11.899 2.411 3.503 1.00 0.00 O ATOM 552 OE2 GLU A 82 -10.575 1.004 4.536 1.00 0.00 O ATOM 0 HA GLU A 82 -12.488 0.094 1.937 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -14.266 1.299 3.170 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -14.757 -0.191 3.950 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -13.417 1.149 5.472 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -12.579 -0.341 5.088 1.00 0.00 H new ATOM 559 N GLU A 83 -13.707 -2.713 3.126 1.00 0.00 N ATOM 560 CA GLU A 83 -13.374 -4.037 3.633 1.00 0.00 C ATOM 561 C GLU A 83 -12.478 -4.784 2.646 1.00 0.00 C ATOM 562 O GLU A 83 -11.538 -5.482 3.035 1.00 0.00 O ATOM 563 CB GLU A 83 -14.656 -4.840 3.897 1.00 0.00 C ATOM 564 CG GLU A 83 -15.651 -4.144 4.827 1.00 0.00 C ATOM 565 CD GLU A 83 -16.556 -3.147 4.117 1.00 0.00 C ATOM 566 OE1 GLU A 83 -16.131 -1.996 3.886 1.00 0.00 O ATOM 567 OE2 GLU A 83 -17.705 -3.507 3.792 1.00 0.00 O ATOM 0 H GLU A 83 -14.705 -2.562 2.981 1.00 0.00 H new ATOM 0 HA GLU A 83 -12.830 -3.920 4.570 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -15.147 -5.043 2.945 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -14.385 -5.804 4.328 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -16.268 -4.899 5.315 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -15.100 -3.626 5.612 1.00 0.00 H new ATOM 574 N GLU A 84 -12.770 -4.617 1.365 1.00 0.00 N ATOM 575 CA GLU A 84 -11.974 -5.220 0.306 1.00 0.00 C ATOM 576 C GLU A 84 -10.595 -4.569 0.248 1.00 0.00 C ATOM 577 O GLU A 84 -9.597 -5.230 -0.013 1.00 0.00 O ATOM 578 CB GLU A 84 -12.681 -5.065 -1.041 1.00 0.00 C ATOM 579 CG GLU A 84 -14.087 -5.648 -1.063 1.00 0.00 C ATOM 580 CD GLU A 84 -14.101 -7.143 -0.841 1.00 0.00 C ATOM 581 OE1 GLU A 84 -13.932 -7.900 -1.823 1.00 0.00 O ATOM 582 OE2 GLU A 84 -14.270 -7.573 0.318 1.00 0.00 O ATOM 0 H GLU A 84 -13.559 -4.064 1.032 1.00 0.00 H new ATOM 0 HA GLU A 84 -11.855 -6.282 0.522 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -12.732 -4.006 -1.295 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -12.084 -5.550 -1.813 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -14.689 -5.165 -0.293 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -14.555 -5.423 -2.021 1.00 0.00 H new ATOM 589 N ILE A 85 -10.555 -3.264 0.502 1.00 0.00 N ATOM 590 CA ILE A 85 -9.301 -2.525 0.530 1.00 0.00 C ATOM 591 C ILE A 85 -8.420 -3.011 1.675 1.00 0.00 C ATOM 592 O ILE A 85 -7.200 -3.076 1.551 1.00 0.00 O ATOM 593 CB ILE A 85 -9.529 -0.999 0.643 1.00 0.00 C ATOM 594 CG1 ILE A 85 -10.326 -0.498 -0.561 1.00 0.00 C ATOM 595 CG2 ILE A 85 -8.201 -0.255 0.729 1.00 0.00 C ATOM 596 CD1 ILE A 85 -9.641 -0.767 -1.886 1.00 0.00 C ATOM 0 H ILE A 85 -11.381 -2.697 0.692 1.00 0.00 H new ATOM 0 HA ILE A 85 -8.794 -2.713 -0.417 1.00 0.00 H new ATOM 0 HB ILE A 85 -10.093 -0.805 1.556 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -11.306 -0.975 -0.563 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -10.493 0.574 -0.457 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -8.388 0.816 0.808 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -7.651 -0.593 1.607 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -7.613 -0.456 -0.167 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -10.259 -0.387 -2.699 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -8.672 -0.268 -1.903 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -9.498 -1.840 -2.010 1.00 0.00 H new ATOM 608 N ARG A 86 -9.043 -3.374 2.785 1.00 0.00 N ATOM 609 CA ARG A 86 -8.315 -3.946 3.910 1.00 0.00 C ATOM 610 C ARG A 86 -7.723 -5.300 3.526 1.00 0.00 C ATOM 611 O ARG A 86 -6.604 -5.644 3.924 1.00 0.00 O ATOM 612 CB ARG A 86 -9.225 -4.062 5.133 1.00 0.00 C ATOM 613 CG ARG A 86 -9.710 -2.709 5.619 1.00 0.00 C ATOM 614 CD ARG A 86 -10.541 -2.806 6.882 1.00 0.00 C ATOM 615 NE ARG A 86 -10.881 -1.476 7.381 1.00 0.00 N ATOM 616 CZ ARG A 86 -11.460 -1.236 8.554 1.00 0.00 C ATOM 617 NH1 ARG A 86 -11.798 -2.236 9.359 1.00 0.00 N ATOM 618 NH2 ARG A 86 -11.689 0.017 8.924 1.00 0.00 N ATOM 0 H ARG A 86 -10.048 -3.284 2.932 1.00 0.00 H new ATOM 0 HA ARG A 86 -7.491 -3.282 4.171 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -10.084 -4.686 4.886 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -8.687 -4.563 5.938 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -8.851 -2.064 5.803 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -10.302 -2.236 4.835 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -11.453 -3.368 6.681 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -9.989 -3.356 7.645 1.00 0.00 H new ATOM 0 HE ARG A 86 -10.659 -0.676 6.789 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -11.614 -3.200 9.080 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -12.242 -2.041 10.256 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -11.422 0.787 8.311 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -12.133 0.211 9.822 1.00 0.00 H new ATOM 632 N GLU A 87 -8.457 -6.047 2.710 1.00 0.00 N ATOM 633 CA GLU A 87 -7.945 -7.296 2.172 1.00 0.00 C ATOM 634 C GLU A 87 -6.865 -7.003 1.135 1.00 0.00 C ATOM 635 O GLU A 87 -5.957 -7.804 0.925 1.00 0.00 O ATOM 636 CB GLU A 87 -9.066 -8.138 1.555 1.00 0.00 C ATOM 637 CG GLU A 87 -9.994 -8.766 2.582 1.00 0.00 C ATOM 638 CD GLU A 87 -9.271 -9.708 3.528 1.00 0.00 C ATOM 639 OE1 GLU A 87 -8.805 -10.771 3.071 1.00 0.00 O ATOM 640 OE2 GLU A 87 -9.144 -9.380 4.728 1.00 0.00 O ATOM 0 H GLU A 87 -9.402 -5.810 2.409 1.00 0.00 H new ATOM 0 HA GLU A 87 -7.513 -7.872 2.990 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -9.653 -7.510 0.884 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -8.623 -8.927 0.948 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -10.476 -7.977 3.160 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -10.784 -9.312 2.066 1.00 0.00 H new ATOM 647 N ALA A 88 -6.955 -5.836 0.509 1.00 0.00 N ATOM 648 CA ALA A 88 -5.951 -5.402 -0.442 1.00 0.00 C ATOM 649 C ALA A 88 -4.656 -5.061 0.283 1.00 0.00 C ATOM 650 O ALA A 88 -3.586 -5.433 -0.166 1.00 0.00 O ATOM 651 CB ALA A 88 -6.450 -4.216 -1.252 1.00 0.00 C ATOM 0 H ALA A 88 -7.718 -5.174 0.647 1.00 0.00 H new ATOM 0 HA ALA A 88 -5.753 -6.218 -1.137 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -5.679 -3.908 -1.959 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -7.350 -4.501 -1.797 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -6.679 -3.388 -0.581 1.00 0.00 H new ATOM 657 N PHE A 89 -4.762 -4.369 1.416 1.00 0.00 N ATOM 658 CA PHE A 89 -3.601 -4.100 2.270 1.00 0.00 C ATOM 659 C PHE A 89 -2.914 -5.402 2.658 1.00 0.00 C ATOM 660 O PHE A 89 -1.695 -5.467 2.795 1.00 0.00 O ATOM 661 CB PHE A 89 -4.018 -3.341 3.534 1.00 0.00 C ATOM 662 CG PHE A 89 -4.070 -1.848 3.365 1.00 0.00 C ATOM 663 CD1 PHE A 89 -5.021 -1.255 2.553 1.00 0.00 C ATOM 664 CD2 PHE A 89 -3.163 -1.036 4.027 1.00 0.00 C ATOM 665 CE1 PHE A 89 -5.066 0.116 2.402 1.00 0.00 C ATOM 666 CE2 PHE A 89 -3.202 0.336 3.880 1.00 0.00 C ATOM 667 CZ PHE A 89 -4.156 0.912 3.066 1.00 0.00 C ATOM 0 H PHE A 89 -5.639 -3.983 1.766 1.00 0.00 H new ATOM 0 HA PHE A 89 -2.904 -3.482 1.704 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -5.000 -3.694 3.850 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -3.320 -3.581 4.336 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -5.737 -1.873 2.031 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -2.416 -1.482 4.666 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -5.813 0.565 1.764 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -2.488 0.957 4.401 1.00 0.00 H new ATOM 0 HZ PHE A 89 -4.190 1.985 2.949 1.00 0.00 H new ATOM 677 N ARG A 90 -3.726 -6.426 2.842 1.00 0.00 N ATOM 678 CA ARG A 90 -3.253 -7.766 3.168 1.00 0.00 C ATOM 679 C ARG A 90 -2.535 -8.414 1.972 1.00 0.00 C ATOM 680 O ARG A 90 -1.557 -9.139 2.149 1.00 0.00 O ATOM 681 CB ARG A 90 -4.473 -8.583 3.604 1.00 0.00 C ATOM 682 CG ARG A 90 -4.213 -10.001 4.080 1.00 0.00 C ATOM 683 CD ARG A 90 -5.538 -10.652 4.453 1.00 0.00 C ATOM 684 NE ARG A 90 -5.388 -11.956 5.089 1.00 0.00 N ATOM 685 CZ ARG A 90 -6.422 -12.703 5.481 1.00 0.00 C ATOM 686 NH1 ARG A 90 -7.666 -12.302 5.240 1.00 0.00 N ATOM 687 NH2 ARG A 90 -6.222 -13.856 6.101 1.00 0.00 N ATOM 0 H ARG A 90 -4.741 -6.355 2.770 1.00 0.00 H new ATOM 0 HA ARG A 90 -2.519 -7.726 3.972 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -4.975 -8.042 4.406 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -5.169 -8.628 2.766 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -3.719 -10.576 3.297 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -3.543 -9.992 4.940 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -6.082 -9.989 5.126 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -6.145 -10.763 3.554 1.00 0.00 H new ATOM 0 HE ARG A 90 -4.446 -12.315 5.242 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -7.833 -11.421 4.754 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -8.454 -12.875 5.541 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -5.272 -14.179 6.282 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -7.018 -14.421 6.397 1.00 0.00 H new ATOM 701 N VAL A 91 -3.022 -8.145 0.760 1.00 0.00 N ATOM 702 CA VAL A 91 -2.450 -8.730 -0.462 1.00 0.00 C ATOM 703 C VAL A 91 -1.312 -7.874 -1.031 1.00 0.00 C ATOM 704 O VAL A 91 -0.427 -8.382 -1.705 1.00 0.00 O ATOM 705 CB VAL A 91 -3.540 -8.941 -1.545 1.00 0.00 C ATOM 706 CG1 VAL A 91 -2.955 -9.558 -2.808 1.00 0.00 C ATOM 707 CG2 VAL A 91 -4.662 -9.819 -1.009 1.00 0.00 C ATOM 0 H VAL A 91 -3.814 -7.524 0.594 1.00 0.00 H new ATOM 0 HA VAL A 91 -2.037 -9.699 -0.180 1.00 0.00 H new ATOM 0 HB VAL A 91 -3.945 -7.962 -1.801 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -3.745 -9.693 -3.547 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -2.188 -8.898 -3.213 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -2.513 -10.525 -2.569 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -5.418 -9.956 -1.782 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -4.258 -10.789 -0.720 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -5.115 -9.341 -0.140 1.00 0.00 H new ATOM 717 N PHE A 92 -1.343 -6.578 -0.756 1.00 0.00 N ATOM 718 CA PHE A 92 -0.298 -5.656 -1.202 1.00 0.00 C ATOM 719 C PHE A 92 0.856 -5.625 -0.209 1.00 0.00 C ATOM 720 O PHE A 92 1.688 -4.719 -0.223 1.00 0.00 O ATOM 721 CB PHE A 92 -0.856 -4.248 -1.435 1.00 0.00 C ATOM 722 CG PHE A 92 -1.661 -4.126 -2.698 1.00 0.00 C ATOM 723 CD1 PHE A 92 -1.078 -4.387 -3.927 1.00 0.00 C ATOM 724 CD2 PHE A 92 -2.993 -3.749 -2.659 1.00 0.00 C ATOM 725 CE1 PHE A 92 -1.808 -4.275 -5.094 1.00 0.00 C ATOM 726 CE2 PHE A 92 -3.729 -3.636 -3.822 1.00 0.00 C ATOM 727 CZ PHE A 92 -3.135 -3.900 -5.042 1.00 0.00 C ATOM 0 H PHE A 92 -2.088 -6.133 -0.220 1.00 0.00 H new ATOM 0 HA PHE A 92 0.082 -6.022 -2.156 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -1.480 -3.968 -0.587 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -0.029 -3.539 -1.470 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -0.040 -4.682 -3.973 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -3.461 -3.541 -1.708 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -1.341 -4.481 -6.046 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -4.767 -3.342 -3.778 1.00 0.00 H new ATOM 0 HZ PHE A 92 -3.709 -3.813 -5.953 1.00 0.00 H new ATOM 737 N ASP A 93 0.884 -6.619 0.659 1.00 0.00 N ATOM 738 CA ASP A 93 1.899 -6.730 1.690 1.00 0.00 C ATOM 739 C ASP A 93 2.483 -8.140 1.654 1.00 0.00 C ATOM 740 O ASP A 93 1.772 -9.102 1.368 1.00 0.00 O ATOM 741 CB ASP A 93 1.271 -6.439 3.062 1.00 0.00 C ATOM 742 CG ASP A 93 2.275 -6.337 4.200 1.00 0.00 C ATOM 743 OD1 ASP A 93 3.349 -6.936 4.125 1.00 0.00 O ATOM 744 OD2 ASP A 93 2.032 -5.644 5.193 1.00 0.00 O ATOM 0 H ASP A 93 0.200 -7.376 0.669 1.00 0.00 H new ATOM 0 HA ASP A 93 2.696 -6.007 1.516 1.00 0.00 H new ATOM 0 HB2 ASP A 93 0.711 -5.506 3.002 1.00 0.00 H new ATOM 0 HB3 ASP A 93 0.554 -7.226 3.295 1.00 0.00 H new ATOM 749 N LYS A 94 3.774 -8.256 1.949 1.00 0.00 N ATOM 750 CA LYS A 94 4.443 -9.552 1.984 1.00 0.00 C ATOM 751 C LYS A 94 3.954 -10.340 3.194 1.00 0.00 C ATOM 752 O LYS A 94 3.832 -11.563 3.163 1.00 0.00 O ATOM 753 CB LYS A 94 5.961 -9.393 2.120 1.00 0.00 C ATOM 754 CG LYS A 94 6.618 -8.407 1.167 1.00 0.00 C ATOM 755 CD LYS A 94 8.086 -8.230 1.542 1.00 0.00 C ATOM 756 CE LYS A 94 8.771 -7.133 0.747 1.00 0.00 C ATOM 757 NZ LYS A 94 10.124 -6.830 1.289 1.00 0.00 N ATOM 0 H LYS A 94 4.380 -7.465 2.168 1.00 0.00 H new ATOM 0 HA LYS A 94 4.214 -10.068 1.052 1.00 0.00 H new ATOM 0 HB2 LYS A 94 6.183 -9.083 3.141 1.00 0.00 H new ATOM 0 HB3 LYS A 94 6.423 -10.370 1.975 1.00 0.00 H new ATOM 0 HG2 LYS A 94 6.536 -8.767 0.142 1.00 0.00 H new ATOM 0 HG3 LYS A 94 6.103 -7.447 1.210 1.00 0.00 H new ATOM 0 HD2 LYS A 94 8.159 -8.001 2.605 1.00 0.00 H new ATOM 0 HD3 LYS A 94 8.613 -9.171 1.382 1.00 0.00 H new ATOM 0 HE2 LYS A 94 8.856 -7.437 -0.296 1.00 0.00 H new ATOM 0 HE3 LYS A 94 8.159 -6.231 0.768 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 10.630 -6.204 0.630 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 10.031 -6.359 2.212 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 10.658 -7.715 1.404 1.00 0.00 H new ATOM 771 N ASP A 95 3.710 -9.606 4.270 1.00 0.00 N ATOM 772 CA ASP A 95 3.390 -10.190 5.567 1.00 0.00 C ATOM 773 C ASP A 95 1.973 -9.844 6.028 1.00 0.00 C ATOM 774 O ASP A 95 1.545 -10.251 7.111 1.00 0.00 O ATOM 775 CB ASP A 95 4.396 -9.687 6.605 1.00 0.00 C ATOM 776 CG ASP A 95 4.522 -8.177 6.577 1.00 0.00 C ATOM 777 OD1 ASP A 95 3.534 -7.473 6.822 1.00 0.00 O ATOM 778 OD2 ASP A 95 5.635 -7.664 6.383 1.00 0.00 O ATOM 0 H ASP A 95 3.728 -8.586 4.269 1.00 0.00 H new ATOM 0 HA ASP A 95 3.446 -11.274 5.465 1.00 0.00 H new ATOM 0 HB2 ASP A 95 4.085 -10.008 7.599 1.00 0.00 H new ATOM 0 HB3 ASP A 95 5.370 -10.137 6.415 1.00 0.00 H new ATOM 783 N GLY A 96 1.251 -9.114 5.176 1.00 0.00 N ATOM 784 CA GLY A 96 -0.068 -8.586 5.517 1.00 0.00 C ATOM 785 C GLY A 96 -0.175 -7.983 6.913 1.00 0.00 C ATOM 786 O GLY A 96 -1.115 -8.301 7.638 1.00 0.00 O ATOM 0 H GLY A 96 1.563 -8.874 4.235 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -0.339 -7.824 4.786 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -0.800 -9.389 5.427 1.00 0.00 H new ATOM 790 N ASN A 97 0.758 -7.105 7.305 1.00 0.00 N ATOM 791 CA ASN A 97 0.686 -6.470 8.626 1.00 0.00 C ATOM 792 C ASN A 97 -0.366 -5.365 8.666 1.00 0.00 C ATOM 793 O ASN A 97 -0.520 -4.677 9.675 1.00 0.00 O ATOM 794 CB ASN A 97 2.062 -5.921 9.074 1.00 0.00 C ATOM 795 CG ASN A 97 2.611 -4.782 8.215 1.00 0.00 C ATOM 796 OD1 ASN A 97 2.273 -3.549 8.554 1.00 0.00 O flip ATOM 797 ND2 ASN A 97 3.367 -5.009 7.265 1.00 0.00 N flip ATOM 0 H ASN A 97 1.557 -6.823 6.738 1.00 0.00 H new ATOM 0 HA ASN A 97 0.387 -7.247 9.329 1.00 0.00 H new ATOM 0 HB2 ASN A 97 1.980 -5.573 10.104 1.00 0.00 H new ATOM 0 HB3 ASN A 97 2.782 -6.739 9.070 1.00 0.00 H new ATOM 0 HD21 ASN A 97 3.611 -5.970 7.026 1.00 0.00 H new ATOM 0 HD22 ASN A 97 3.747 -4.235 6.720 1.00 0.00 H new ATOM 804 N GLY A 98 -1.088 -5.197 7.567 1.00 0.00 N ATOM 805 CA GLY A 98 -2.188 -4.248 7.542 1.00 0.00 C ATOM 806 C GLY A 98 -1.758 -2.886 7.051 1.00 0.00 C ATOM 807 O GLY A 98 -2.427 -1.887 7.302 1.00 0.00 O ATOM 0 H GLY A 98 -0.934 -5.699 6.693 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -2.980 -4.630 6.899 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -2.608 -4.155 8.544 1.00 0.00 H new ATOM 811 N TYR A 99 -0.652 -2.860 6.329 1.00 0.00 N ATOM 812 CA TYR A 99 -0.092 -1.624 5.808 1.00 0.00 C ATOM 813 C TYR A 99 0.632 -1.914 4.513 1.00 0.00 C ATOM 814 O TYR A 99 1.232 -2.975 4.352 1.00 0.00 O ATOM 815 CB TYR A 99 0.869 -0.964 6.806 1.00 0.00 C ATOM 816 CG TYR A 99 0.195 -0.398 8.027 1.00 0.00 C ATOM 817 CD1 TYR A 99 -0.637 0.706 7.926 1.00 0.00 C ATOM 818 CD2 TYR A 99 0.385 -0.967 9.277 1.00 0.00 C ATOM 819 CE1 TYR A 99 -1.267 1.223 9.039 1.00 0.00 C ATOM 820 CE2 TYR A 99 -0.238 -0.456 10.395 1.00 0.00 C ATOM 821 CZ TYR A 99 -1.066 0.639 10.271 1.00 0.00 C ATOM 822 OH TYR A 99 -1.695 1.150 11.383 1.00 0.00 O ATOM 0 H TYR A 99 -0.117 -3.694 6.087 1.00 0.00 H new ATOM 0 HA TYR A 99 -0.912 -0.927 5.635 1.00 0.00 H new ATOM 0 HB2 TYR A 99 1.610 -1.699 7.121 1.00 0.00 H new ATOM 0 HB3 TYR A 99 1.409 -0.164 6.299 1.00 0.00 H new ATOM 0 HD1 TYR A 99 -0.794 1.168 6.962 1.00 0.00 H new ATOM 0 HD2 TYR A 99 1.033 -1.826 9.376 1.00 0.00 H new ATOM 0 HE1 TYR A 99 -1.915 2.082 8.945 1.00 0.00 H new ATOM 0 HE2 TYR A 99 -0.079 -0.910 11.362 1.00 0.00 H new ATOM 0 HH TYR A 99 -1.447 0.622 12.171 1.00 0.00 H new ATOM 832 N ILE A 100 0.575 -0.977 3.593 1.00 0.00 N ATOM 833 CA ILE A 100 1.176 -1.171 2.293 1.00 0.00 C ATOM 834 C ILE A 100 2.397 -0.274 2.147 1.00 0.00 C ATOM 835 O ILE A 100 2.281 0.928 1.931 1.00 0.00 O ATOM 836 CB ILE A 100 0.156 -0.873 1.170 1.00 0.00 C ATOM 837 CG1 ILE A 100 -1.065 -1.788 1.315 1.00 0.00 C ATOM 838 CG2 ILE A 100 0.787 -1.042 -0.207 1.00 0.00 C ATOM 839 CD1 ILE A 100 -2.178 -1.504 0.327 1.00 0.00 C ATOM 0 H ILE A 100 0.119 -0.074 3.721 1.00 0.00 H new ATOM 0 HA ILE A 100 1.487 -2.212 2.205 1.00 0.00 H new ATOM 0 HB ILE A 100 -0.163 0.165 1.265 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -0.745 -2.823 1.196 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -1.459 -1.691 2.326 1.00 0.00 H new ATOM 0 HG21 ILE A 100 0.045 -0.826 -0.976 1.00 0.00 H new ATOM 0 HG22 ILE A 100 1.627 -0.355 -0.309 1.00 0.00 H new ATOM 0 HG23 ILE A 100 1.141 -2.067 -0.322 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -3.003 -2.196 0.499 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -2.529 -0.481 0.459 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -1.804 -1.631 -0.689 1.00 0.00 H new ATOM 851 N SER A 101 3.567 -0.854 2.288 1.00 0.00 N ATOM 852 CA SER A 101 4.790 -0.104 2.107 1.00 0.00 C ATOM 853 C SER A 101 5.362 -0.407 0.731 1.00 0.00 C ATOM 854 O SER A 101 4.938 -1.361 0.085 1.00 0.00 O ATOM 855 CB SER A 101 5.807 -0.435 3.206 1.00 0.00 C ATOM 856 OG SER A 101 6.945 0.412 3.125 1.00 0.00 O ATOM 0 H SER A 101 3.698 -1.837 2.526 1.00 0.00 H new ATOM 0 HA SER A 101 4.569 0.961 2.179 1.00 0.00 H new ATOM 0 HB2 SER A 101 5.338 -0.326 4.184 1.00 0.00 H new ATOM 0 HB3 SER A 101 6.118 -1.476 3.116 1.00 0.00 H new ATOM 0 HG SER A 101 6.923 1.061 3.859 1.00 0.00 H new ATOM 862 N ALA A 102 6.314 0.398 0.286 1.00 0.00 N ATOM 863 CA ALA A 102 6.889 0.232 -1.041 1.00 0.00 C ATOM 864 C ALA A 102 7.437 -1.179 -1.219 1.00 0.00 C ATOM 865 O ALA A 102 7.083 -1.877 -2.171 1.00 0.00 O ATOM 866 CB ALA A 102 7.978 1.255 -1.269 1.00 0.00 C ATOM 0 H ALA A 102 6.705 1.172 0.823 1.00 0.00 H new ATOM 0 HA ALA A 102 6.103 0.387 -1.780 1.00 0.00 H new ATOM 0 HB1 ALA A 102 8.401 1.121 -2.265 1.00 0.00 H new ATOM 0 HB2 ALA A 102 7.559 2.258 -1.185 1.00 0.00 H new ATOM 0 HB3 ALA A 102 8.761 1.125 -0.522 1.00 0.00 H new ATOM 872 N ALA A 103 8.311 -1.581 -0.300 1.00 0.00 N ATOM 873 CA ALA A 103 8.857 -2.936 -0.275 1.00 0.00 C ATOM 874 C ALA A 103 7.760 -3.993 -0.390 1.00 0.00 C ATOM 875 O ALA A 103 7.853 -4.915 -1.207 1.00 0.00 O ATOM 876 CB ALA A 103 9.651 -3.141 1.004 1.00 0.00 C ATOM 0 H ALA A 103 8.660 -0.979 0.446 1.00 0.00 H new ATOM 0 HA ALA A 103 9.513 -3.052 -1.138 1.00 0.00 H new ATOM 0 HB1 ALA A 103 10.058 -4.152 1.022 1.00 0.00 H new ATOM 0 HB2 ALA A 103 10.468 -2.420 1.045 1.00 0.00 H new ATOM 0 HB3 ALA A 103 8.998 -2.998 1.865 1.00 0.00 H new ATOM 882 N GLU A 104 6.722 -3.839 0.422 1.00 0.00 N ATOM 883 CA GLU A 104 5.598 -4.771 0.425 1.00 0.00 C ATOM 884 C GLU A 104 4.949 -4.791 -0.948 1.00 0.00 C ATOM 885 O GLU A 104 4.755 -5.850 -1.546 1.00 0.00 O ATOM 886 CB GLU A 104 4.545 -4.337 1.442 1.00 0.00 C ATOM 887 CG GLU A 104 5.114 -3.843 2.771 1.00 0.00 C ATOM 888 CD GLU A 104 5.656 -4.949 3.661 1.00 0.00 C ATOM 889 OE1 GLU A 104 6.648 -5.601 3.279 1.00 0.00 O ATOM 890 OE2 GLU A 104 5.086 -5.170 4.759 1.00 0.00 O ATOM 0 H GLU A 104 6.634 -3.074 1.091 1.00 0.00 H new ATOM 0 HA GLU A 104 5.975 -5.760 0.686 1.00 0.00 H new ATOM 0 HB2 GLU A 104 3.939 -3.544 1.003 1.00 0.00 H new ATOM 0 HB3 GLU A 104 3.878 -5.177 1.636 1.00 0.00 H new ATOM 0 HG2 GLU A 104 5.912 -3.129 2.570 1.00 0.00 H new ATOM 0 HG3 GLU A 104 4.334 -3.306 3.311 1.00 0.00 H new ATOM 897 N LEU A 105 4.687 -3.587 -1.452 1.00 0.00 N ATOM 898 CA LEU A 105 3.950 -3.386 -2.686 1.00 0.00 C ATOM 899 C LEU A 105 4.654 -4.078 -3.839 1.00 0.00 C ATOM 900 O LEU A 105 4.051 -4.832 -4.582 1.00 0.00 O ATOM 901 CB LEU A 105 3.831 -1.885 -2.976 1.00 0.00 C ATOM 902 CG LEU A 105 3.041 -1.512 -4.231 1.00 0.00 C ATOM 903 CD1 LEU A 105 1.588 -1.933 -4.099 1.00 0.00 C ATOM 904 CD2 LEU A 105 3.142 -0.015 -4.491 1.00 0.00 C ATOM 0 H LEU A 105 4.985 -2.719 -1.007 1.00 0.00 H new ATOM 0 HA LEU A 105 2.954 -3.814 -2.576 1.00 0.00 H new ATOM 0 HB2 LEU A 105 3.362 -1.404 -2.118 1.00 0.00 H new ATOM 0 HB3 LEU A 105 4.835 -1.470 -3.065 1.00 0.00 H new ATOM 0 HG LEU A 105 3.472 -2.044 -5.079 1.00 0.00 H new ATOM 0 HD11 LEU A 105 1.046 -1.657 -5.003 1.00 0.00 H new ATOM 0 HD12 LEU A 105 1.533 -3.012 -3.958 1.00 0.00 H new ATOM 0 HD13 LEU A 105 1.140 -1.432 -3.241 1.00 0.00 H new ATOM 0 HD21 LEU A 105 2.575 0.238 -5.387 1.00 0.00 H new ATOM 0 HD22 LEU A 105 2.736 0.530 -3.639 1.00 0.00 H new ATOM 0 HD23 LEU A 105 4.187 0.260 -4.633 1.00 0.00 H new ATOM 916 N ARG A 106 5.952 -3.856 -3.942 1.00 0.00 N ATOM 917 CA ARG A 106 6.704 -4.349 -5.083 1.00 0.00 C ATOM 918 C ARG A 106 6.840 -5.867 -5.057 1.00 0.00 C ATOM 919 O ARG A 106 6.405 -6.532 -5.998 1.00 0.00 O ATOM 920 CB ARG A 106 8.072 -3.680 -5.184 1.00 0.00 C ATOM 921 CG ARG A 106 7.985 -2.234 -5.644 1.00 0.00 C ATOM 922 CD ARG A 106 9.327 -1.711 -6.129 1.00 0.00 C ATOM 923 NE ARG A 106 9.245 -0.309 -6.551 1.00 0.00 N ATOM 924 CZ ARG A 106 10.224 0.344 -7.181 1.00 0.00 C ATOM 925 NH1 ARG A 106 11.343 -0.283 -7.515 1.00 0.00 N ATOM 926 NH2 ARG A 106 10.076 1.624 -7.500 1.00 0.00 N ATOM 0 H ARG A 106 6.504 -3.342 -3.256 1.00 0.00 H new ATOM 0 HA ARG A 106 6.137 -4.085 -5.975 1.00 0.00 H new ATOM 0 HB2 ARG A 106 8.564 -3.719 -4.212 1.00 0.00 H new ATOM 0 HB3 ARG A 106 8.696 -4.241 -5.879 1.00 0.00 H new ATOM 0 HG2 ARG A 106 7.252 -2.152 -6.447 1.00 0.00 H new ATOM 0 HG3 ARG A 106 7.629 -1.613 -4.822 1.00 0.00 H new ATOM 0 HD2 ARG A 106 10.064 -1.808 -5.332 1.00 0.00 H new ATOM 0 HD3 ARG A 106 9.675 -2.322 -6.962 1.00 0.00 H new ATOM 0 HE ARG A 106 8.384 0.200 -6.350 1.00 0.00 H new ATOM 0 HH11 ARG A 106 11.460 -1.271 -7.291 1.00 0.00 H new ATOM 0 HH12 ARG A 106 12.087 0.223 -7.996 1.00 0.00 H new ATOM 0 HH21 ARG A 106 9.212 2.112 -7.264 1.00 0.00 H new ATOM 0 HH22 ARG A 106 10.826 2.120 -7.981 1.00 0.00 H new ATOM 940 N HIS A 107 7.410 -6.407 -3.976 1.00 0.00 N ATOM 941 CA HIS A 107 7.676 -7.850 -3.874 1.00 0.00 C ATOM 942 C HIS A 107 6.407 -8.668 -4.052 1.00 0.00 C ATOM 943 O HIS A 107 6.435 -9.760 -4.616 1.00 0.00 O ATOM 944 CB HIS A 107 8.294 -8.196 -2.519 1.00 0.00 C ATOM 945 CG HIS A 107 8.991 -9.531 -2.476 1.00 0.00 C ATOM 946 ND1 HIS A 107 8.466 -10.691 -3.009 1.00 0.00 N ATOM 947 CD2 HIS A 107 10.194 -9.873 -1.961 1.00 0.00 C ATOM 948 CE1 HIS A 107 9.314 -11.684 -2.817 1.00 0.00 C ATOM 949 NE2 HIS A 107 10.371 -11.214 -2.183 1.00 0.00 N ATOM 0 H HIS A 107 7.697 -5.869 -3.158 1.00 0.00 H new ATOM 0 HA HIS A 107 8.374 -8.098 -4.673 1.00 0.00 H new ATOM 0 HB2 HIS A 107 9.008 -7.418 -2.250 1.00 0.00 H new ATOM 0 HB3 HIS A 107 7.510 -8.185 -1.762 1.00 0.00 H new ATOM 0 HD1 HIS A 107 7.564 -10.769 -3.478 1.00 0.00 H new ATOM 0 HD2 HIS A 107 10.888 -9.211 -1.465 1.00 0.00 H new ATOM 0 HE1 HIS A 107 9.167 -12.708 -3.127 1.00 0.00 H new ATOM 958 N VAL A 108 5.309 -8.145 -3.554 1.00 0.00 N ATOM 959 CA VAL A 108 4.072 -8.897 -3.572 1.00 0.00 C ATOM 960 C VAL A 108 3.365 -8.728 -4.919 1.00 0.00 C ATOM 961 O VAL A 108 2.869 -9.694 -5.499 1.00 0.00 O ATOM 962 CB VAL A 108 3.141 -8.523 -2.395 1.00 0.00 C ATOM 963 CG1 VAL A 108 2.327 -7.273 -2.685 1.00 0.00 C ATOM 964 CG2 VAL A 108 2.240 -9.695 -2.041 1.00 0.00 C ATOM 0 H VAL A 108 5.245 -7.216 -3.137 1.00 0.00 H new ATOM 0 HA VAL A 108 4.325 -9.949 -3.443 1.00 0.00 H new ATOM 0 HB VAL A 108 3.771 -8.295 -1.535 1.00 0.00 H new ATOM 0 HG11 VAL A 108 1.688 -7.049 -1.831 1.00 0.00 H new ATOM 0 HG12 VAL A 108 3.000 -6.434 -2.865 1.00 0.00 H new ATOM 0 HG13 VAL A 108 1.709 -7.438 -3.567 1.00 0.00 H new ATOM 0 HG21 VAL A 108 1.590 -9.417 -1.211 1.00 0.00 H new ATOM 0 HG22 VAL A 108 1.631 -9.960 -2.905 1.00 0.00 H new ATOM 0 HG23 VAL A 108 2.852 -10.550 -1.752 1.00 0.00 H new ATOM 974 N MET A 109 3.342 -7.496 -5.410 1.00 0.00 N ATOM 975 CA MET A 109 2.624 -7.160 -6.625 1.00 0.00 C ATOM 976 C MET A 109 3.337 -7.638 -7.893 1.00 0.00 C ATOM 977 O MET A 109 2.868 -8.573 -8.548 1.00 0.00 O ATOM 978 CB MET A 109 2.390 -5.647 -6.669 1.00 0.00 C ATOM 979 CG MET A 109 1.564 -5.174 -7.852 1.00 0.00 C ATOM 980 SD MET A 109 -0.073 -5.925 -7.911 1.00 0.00 S ATOM 981 CE MET A 109 -0.781 -5.062 -9.312 1.00 0.00 C ATOM 0 H MET A 109 3.820 -6.706 -4.976 1.00 0.00 H new ATOM 0 HA MET A 109 1.669 -7.685 -6.602 1.00 0.00 H new ATOM 0 HB2 MET A 109 1.892 -5.342 -5.749 1.00 0.00 H new ATOM 0 HB3 MET A 109 3.356 -5.143 -6.691 1.00 0.00 H new ATOM 0 HG2 MET A 109 1.459 -4.090 -7.805 1.00 0.00 H new ATOM 0 HG3 MET A 109 2.097 -5.403 -8.775 1.00 0.00 H new ATOM 0 HE1 MET A 109 -1.798 -5.415 -9.480 1.00 0.00 H new ATOM 0 HE2 MET A 109 -0.797 -3.991 -9.109 1.00 0.00 H new ATOM 0 HE3 MET A 109 -0.179 -5.254 -10.200 1.00 0.00 H new ATOM 991 N THR A 110 4.456 -7.015 -8.260 1.00 0.00 N ATOM 992 CA THR A 110 5.056 -7.291 -9.560 1.00 0.00 C ATOM 993 C THR A 110 6.557 -7.596 -9.488 1.00 0.00 C ATOM 994 O THR A 110 7.043 -8.524 -10.142 1.00 0.00 O ATOM 995 CB THR A 110 4.845 -6.091 -10.504 1.00 0.00 C ATOM 996 OG1 THR A 110 3.464 -5.703 -10.506 1.00 0.00 O ATOM 997 CG2 THR A 110 5.284 -6.421 -11.920 1.00 0.00 C ATOM 0 H THR A 110 4.954 -6.332 -7.690 1.00 0.00 H new ATOM 0 HA THR A 110 4.557 -8.183 -9.938 1.00 0.00 H new ATOM 0 HB THR A 110 5.456 -5.266 -10.138 1.00 0.00 H new ATOM 0 HG1 THR A 110 2.902 -6.494 -10.369 1.00 0.00 H new ATOM 0 HG21 THR A 110 5.123 -5.555 -12.562 1.00 0.00 H new ATOM 0 HG22 THR A 110 6.342 -6.682 -11.921 1.00 0.00 H new ATOM 0 HG23 THR A 110 4.702 -7.263 -12.294 1.00 0.00 H new ATOM 1005 N ASN A 111 7.286 -6.827 -8.694 1.00 0.00 N ATOM 1006 CA ASN A 111 8.748 -6.840 -8.739 1.00 0.00 C ATOM 1007 C ASN A 111 9.332 -7.351 -7.435 1.00 0.00 C ATOM 1008 O ASN A 111 8.625 -7.923 -6.614 1.00 0.00 O ATOM 1009 CB ASN A 111 9.286 -5.433 -9.024 1.00 0.00 C ATOM 1010 CG ASN A 111 8.693 -4.817 -10.279 1.00 0.00 C ATOM 1011 OD1 ASN A 111 7.664 -4.142 -10.224 1.00 0.00 O ATOM 1012 ND2 ASN A 111 9.331 -5.040 -11.417 1.00 0.00 N ATOM 0 H ASN A 111 6.892 -6.183 -8.008 1.00 0.00 H new ATOM 0 HA ASN A 111 9.049 -7.513 -9.542 1.00 0.00 H new ATOM 0 HB2 ASN A 111 9.071 -4.788 -8.172 1.00 0.00 H new ATOM 0 HB3 ASN A 111 10.370 -5.478 -9.125 1.00 0.00 H new ATOM 0 HD21 ASN A 111 8.973 -4.648 -12.288 1.00 0.00 H new ATOM 0 HD22 ASN A 111 10.181 -5.604 -11.423 1.00 0.00 H new