USER MOD reduce.3.24.130724 H: found=0, std=0, add=503, rem=0, adj=15 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 X(o=0,f=0) USER MOD Single : A 46 ASN : amide:sc= -0.125 X(o=-0.13,f=-0.62) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 GLN : amide:sc= -0.0101 X(o=-0.01,f=-0.14) USER MOD Single : A 59 SER OG : rot 180:sc= 0 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 180:sc= 0 USER MOD Single : A 77 LYS NZ :NH3+ 150:sc= 0 (180deg=-0.292) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0.0134 USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 94 HIS : no HD1:sc= -0.167 X(o=-0.17,f=0) USER MOD Single : A 95 SER OG : rot -70:sc= 0.424 USER MOD Single : A 98 TYR OH : rot 180:sc= 0 USER MOD Single : A 100 LYS NZ :NH3+ -103:sc= -0.644 (180deg=-3.94!) USER MOD Single : A 101 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 87 N PHE A 38 -1.349 -26.911 14.131 1.00 0.00 N ATOM 88 CA PHE A 38 -1.979 -25.654 13.705 1.00 0.00 C ATOM 89 C PHE A 38 -1.930 -24.531 14.760 1.00 0.00 C ATOM 90 O PHE A 38 -2.170 -23.379 14.425 1.00 0.00 O ATOM 91 CB PHE A 38 -3.423 -25.929 13.266 1.00 0.00 C ATOM 92 CG PHE A 38 -3.555 -26.915 12.118 1.00 0.00 C ATOM 93 CD1 PHE A 38 -2.843 -26.705 10.919 1.00 0.00 C ATOM 94 CD2 PHE A 38 -4.400 -28.036 12.236 1.00 0.00 C ATOM 95 CE1 PHE A 38 -2.967 -27.613 9.853 1.00 0.00 C ATOM 96 CE2 PHE A 38 -4.527 -28.942 11.167 1.00 0.00 C ATOM 97 CZ PHE A 38 -3.810 -28.731 9.976 1.00 0.00 C ATOM 0 HA PHE A 38 -1.393 -25.280 12.866 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -3.983 -26.308 14.121 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -3.886 -24.987 12.974 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -2.200 -25.843 10.819 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -4.952 -28.200 13.150 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -2.414 -27.452 8.939 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -5.176 -29.800 11.261 1.00 0.00 H new ATOM 0 HZ PHE A 38 -3.907 -29.427 9.156 1.00 0.00 H new ATOM 107 N ASP A 39 -1.583 -24.829 16.012 1.00 0.00 N ATOM 108 CA ASP A 39 -1.449 -23.887 17.122 1.00 0.00 C ATOM 109 C ASP A 39 -0.527 -22.702 16.793 1.00 0.00 C ATOM 110 O ASP A 39 -0.917 -21.549 16.986 1.00 0.00 O ATOM 111 CB ASP A 39 -0.920 -24.651 18.347 1.00 0.00 C ATOM 112 CG ASP A 39 -1.884 -25.721 18.884 1.00 0.00 C ATOM 113 OD1 ASP A 39 -2.533 -26.411 18.059 1.00 0.00 O ATOM 114 OD2 ASP A 39 -1.945 -25.839 20.126 1.00 0.00 O ATOM 0 H ASP A 39 -1.377 -25.787 16.294 1.00 0.00 H new ATOM 0 HA ASP A 39 -2.431 -23.460 17.325 1.00 0.00 H new ATOM 0 HB2 ASP A 39 0.025 -25.127 18.085 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -0.707 -23.937 19.143 1.00 0.00 H new ATOM 119 N GLU A 40 0.671 -22.976 16.251 1.00 0.00 N ATOM 120 CA GLU A 40 1.590 -21.933 15.779 1.00 0.00 C ATOM 121 C GLU A 40 0.917 -21.003 14.763 1.00 0.00 C ATOM 122 O GLU A 40 1.046 -19.782 14.871 1.00 0.00 O ATOM 123 CB GLU A 40 2.882 -22.522 15.182 1.00 0.00 C ATOM 124 CG GLU A 40 2.668 -23.641 14.146 1.00 0.00 C ATOM 125 CD GLU A 40 3.744 -23.713 13.051 1.00 0.00 C ATOM 126 OE1 GLU A 40 4.848 -23.158 13.262 1.00 0.00 O ATOM 127 OE2 GLU A 40 3.461 -24.357 12.018 1.00 0.00 O ATOM 0 H GLU A 40 1.027 -23.924 16.129 1.00 0.00 H new ATOM 0 HA GLU A 40 1.863 -21.347 16.657 1.00 0.00 H new ATOM 0 HB2 GLU A 40 3.448 -21.717 14.713 1.00 0.00 H new ATOM 0 HB3 GLU A 40 3.495 -22.912 15.994 1.00 0.00 H new ATOM 0 HG2 GLU A 40 2.633 -24.598 14.666 1.00 0.00 H new ATOM 0 HG3 GLU A 40 1.696 -23.500 13.673 1.00 0.00 H new ATOM 134 N LEU A 41 0.165 -21.582 13.814 1.00 0.00 N ATOM 135 CA LEU A 41 -0.604 -20.866 12.808 1.00 0.00 C ATOM 136 C LEU A 41 -1.667 -20.009 13.479 1.00 0.00 C ATOM 137 O LEU A 41 -1.682 -18.810 13.252 1.00 0.00 O ATOM 138 CB LEU A 41 -1.226 -21.812 11.757 1.00 0.00 C ATOM 139 CG LEU A 41 -0.386 -22.065 10.496 1.00 0.00 C ATOM 140 CD1 LEU A 41 -0.129 -20.779 9.704 1.00 0.00 C ATOM 141 CD2 LEU A 41 0.933 -22.763 10.821 1.00 0.00 C ATOM 0 H LEU A 41 0.079 -22.595 13.731 1.00 0.00 H new ATOM 0 HA LEU A 41 0.083 -20.217 12.265 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -1.426 -22.771 12.234 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -2.188 -21.401 11.452 1.00 0.00 H new ATOM 0 HG LEU A 41 -0.976 -22.731 9.867 1.00 0.00 H new ATOM 0 HD11 LEU A 41 0.469 -21.008 8.822 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -1.080 -20.346 9.395 1.00 0.00 H new ATOM 0 HD13 LEU A 41 0.408 -20.067 10.331 1.00 0.00 H new ATOM 0 HD21 LEU A 41 1.496 -22.923 9.902 1.00 0.00 H new ATOM 0 HD22 LEU A 41 1.516 -22.141 11.500 1.00 0.00 H new ATOM 0 HD23 LEU A 41 0.729 -23.724 11.294 1.00 0.00 H new ATOM 153 N GLN A 42 -2.527 -20.581 14.324 1.00 0.00 N ATOM 154 CA GLN A 42 -3.564 -19.827 15.039 1.00 0.00 C ATOM 155 C GLN A 42 -2.971 -18.608 15.763 1.00 0.00 C ATOM 156 O GLN A 42 -3.540 -17.521 15.692 1.00 0.00 O ATOM 157 CB GLN A 42 -4.293 -20.736 16.042 1.00 0.00 C ATOM 158 CG GLN A 42 -4.977 -21.970 15.427 1.00 0.00 C ATOM 159 CD GLN A 42 -6.357 -21.666 14.862 1.00 0.00 C ATOM 160 OE1 GLN A 42 -7.371 -21.809 15.525 1.00 0.00 O ATOM 161 NE2 GLN A 42 -6.448 -21.246 13.614 1.00 0.00 N ATOM 0 H GLN A 42 -2.526 -21.579 14.533 1.00 0.00 H new ATOM 0 HA GLN A 42 -4.280 -19.466 14.301 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -3.576 -21.073 16.791 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -5.046 -20.145 16.564 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -4.346 -22.371 14.634 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -5.065 -22.746 16.187 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -5.604 -21.124 13.054 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -7.362 -21.043 13.210 1.00 0.00 H new ATOM 170 N GLY A 43 -1.800 -18.774 16.394 1.00 0.00 N ATOM 171 CA GLY A 43 -1.058 -17.697 17.041 1.00 0.00 C ATOM 172 C GLY A 43 -0.529 -16.662 16.051 1.00 0.00 C ATOM 173 O GLY A 43 -0.951 -15.514 16.120 1.00 0.00 O ATOM 0 H GLY A 43 -1.338 -19.680 16.467 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -1.704 -17.202 17.766 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -0.222 -18.121 17.597 1.00 0.00 H new ATOM 177 N LEU A 44 0.366 -17.029 15.123 1.00 0.00 N ATOM 178 CA LEU A 44 0.907 -16.076 14.141 1.00 0.00 C ATOM 179 C LEU A 44 -0.206 -15.414 13.305 1.00 0.00 C ATOM 180 O LEU A 44 -0.114 -14.227 13.005 1.00 0.00 O ATOM 181 CB LEU A 44 2.022 -16.733 13.294 1.00 0.00 C ATOM 182 CG LEU A 44 1.539 -17.752 12.242 1.00 0.00 C ATOM 183 CD1 LEU A 44 1.170 -17.106 10.897 1.00 0.00 C ATOM 184 CD2 LEU A 44 2.581 -18.856 12.007 1.00 0.00 C ATOM 0 H LEU A 44 0.731 -17.977 15.031 1.00 0.00 H new ATOM 0 HA LEU A 44 1.378 -15.255 14.681 1.00 0.00 H new ATOM 0 HB2 LEU A 44 2.579 -15.947 12.785 1.00 0.00 H new ATOM 0 HB3 LEU A 44 2.719 -17.233 13.966 1.00 0.00 H new ATOM 0 HG LEU A 44 0.632 -18.189 12.659 1.00 0.00 H new ATOM 0 HD11 LEU A 44 0.838 -17.877 10.202 1.00 0.00 H new ATOM 0 HD12 LEU A 44 0.367 -16.384 11.048 1.00 0.00 H new ATOM 0 HD13 LEU A 44 2.042 -16.598 10.486 1.00 0.00 H new ATOM 0 HD21 LEU A 44 2.207 -19.556 11.260 1.00 0.00 H new ATOM 0 HD22 LEU A 44 3.510 -18.410 11.653 1.00 0.00 H new ATOM 0 HD23 LEU A 44 2.766 -19.387 12.941 1.00 0.00 H new ATOM 196 N VAL A 45 -1.294 -16.127 12.992 1.00 0.00 N ATOM 197 CA VAL A 45 -2.457 -15.591 12.280 1.00 0.00 C ATOM 198 C VAL A 45 -3.230 -14.578 13.142 1.00 0.00 C ATOM 199 O VAL A 45 -3.624 -13.519 12.653 1.00 0.00 O ATOM 200 CB VAL A 45 -3.353 -16.716 11.713 1.00 0.00 C ATOM 201 CG1 VAL A 45 -4.701 -16.186 11.207 1.00 0.00 C ATOM 202 CG2 VAL A 45 -2.630 -17.432 10.551 1.00 0.00 C ATOM 0 H VAL A 45 -1.391 -17.114 13.232 1.00 0.00 H new ATOM 0 HA VAL A 45 -2.090 -15.038 11.416 1.00 0.00 H new ATOM 0 HB VAL A 45 -3.546 -17.412 12.530 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -5.295 -17.013 10.818 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -5.236 -15.710 12.028 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -4.531 -15.458 10.414 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -3.268 -18.223 10.158 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -2.413 -16.714 9.760 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -1.698 -17.865 10.914 1.00 0.00 H new ATOM 212 N ASN A 46 -3.395 -14.848 14.441 1.00 0.00 N ATOM 213 CA ASN A 46 -4.125 -13.987 15.375 1.00 0.00 C ATOM 214 C ASN A 46 -3.196 -13.121 16.257 1.00 0.00 C ATOM 215 O ASN A 46 -3.606 -12.649 17.316 1.00 0.00 O ATOM 216 CB ASN A 46 -5.098 -14.865 16.177 1.00 0.00 C ATOM 217 CG ASN A 46 -6.180 -14.050 16.872 1.00 0.00 C ATOM 218 OD1 ASN A 46 -6.755 -13.131 16.306 1.00 0.00 O ATOM 219 ND2 ASN A 46 -6.521 -14.402 18.095 1.00 0.00 N ATOM 0 H ASN A 46 -3.017 -15.687 14.880 1.00 0.00 H new ATOM 0 HA ASN A 46 -4.699 -13.249 14.815 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -5.565 -15.588 15.509 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -4.541 -15.433 16.922 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -7.271 -13.907 18.578 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -6.036 -15.170 18.559 1.00 0.00 H new ATOM 226 N SER A 47 -1.942 -12.906 15.833 1.00 0.00 N ATOM 227 CA SER A 47 -0.953 -12.091 16.558 1.00 0.00 C ATOM 228 C SER A 47 -0.003 -11.318 15.636 1.00 0.00 C ATOM 229 O SER A 47 0.194 -10.114 15.828 1.00 0.00 O ATOM 230 CB SER A 47 -0.151 -12.979 17.512 1.00 0.00 C ATOM 231 OG SER A 47 0.460 -12.175 18.498 1.00 0.00 O ATOM 0 H SER A 47 -1.580 -13.299 14.964 1.00 0.00 H new ATOM 0 HA SER A 47 -1.514 -11.343 17.117 1.00 0.00 H new ATOM 0 HB2 SER A 47 -0.806 -13.713 17.980 1.00 0.00 H new ATOM 0 HB3 SER A 47 0.607 -13.535 16.959 1.00 0.00 H new ATOM 0 HG SER A 47 0.973 -12.742 19.111 1.00 0.00 H new ATOM 237 N THR A 48 0.545 -11.990 14.613 1.00 0.00 N ATOM 238 CA THR A 48 1.440 -11.406 13.604 1.00 0.00 C ATOM 239 C THR A 48 0.642 -10.884 12.405 1.00 0.00 C ATOM 240 O THR A 48 0.781 -9.720 12.037 1.00 0.00 O ATOM 241 CB THR A 48 2.520 -12.420 13.160 1.00 0.00 C ATOM 242 OG1 THR A 48 3.102 -13.031 14.292 1.00 0.00 O ATOM 243 CG2 THR A 48 3.649 -11.756 12.368 1.00 0.00 C ATOM 0 H THR A 48 0.373 -12.984 14.461 1.00 0.00 H new ATOM 0 HA THR A 48 1.953 -10.559 14.060 1.00 0.00 H new ATOM 0 HB THR A 48 2.018 -13.150 12.525 1.00 0.00 H new ATOM 0 HG1 THR A 48 3.784 -13.673 14.003 1.00 0.00 H new ATOM 0 HG21 THR A 48 4.382 -12.509 12.079 1.00 0.00 H new ATOM 0 HG22 THR A 48 3.239 -11.287 11.474 1.00 0.00 H new ATOM 0 HG23 THR A 48 4.131 -10.999 12.987 1.00 0.00 H new ATOM 251 N VAL A 49 -0.234 -11.715 11.821 1.00 0.00 N ATOM 252 CA VAL A 49 -1.114 -11.331 10.705 1.00 0.00 C ATOM 253 C VAL A 49 -2.217 -10.389 11.163 1.00 0.00 C ATOM 254 O VAL A 49 -2.423 -9.387 10.488 1.00 0.00 O ATOM 255 CB VAL A 49 -1.717 -12.554 9.994 1.00 0.00 C ATOM 256 CG1 VAL A 49 -2.904 -12.221 9.081 1.00 0.00 C ATOM 257 CG2 VAL A 49 -0.649 -13.296 9.186 1.00 0.00 C ATOM 0 H VAL A 49 -0.353 -12.685 12.113 1.00 0.00 H new ATOM 0 HA VAL A 49 -0.487 -10.804 9.985 1.00 0.00 H new ATOM 0 HB VAL A 49 -2.099 -13.191 10.792 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -3.273 -13.135 8.616 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -3.700 -11.766 9.671 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -2.583 -11.524 8.307 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -1.099 -14.157 8.692 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -0.229 -12.626 8.436 1.00 0.00 H new ATOM 0 HG23 VAL A 49 0.143 -13.634 9.854 1.00 0.00 H new ATOM 267 N THR A 50 -2.906 -10.658 12.286 1.00 0.00 N ATOM 268 CA THR A 50 -3.973 -9.773 12.800 1.00 0.00 C ATOM 269 C THR A 50 -3.555 -8.298 12.765 1.00 0.00 C ATOM 270 O THR A 50 -4.304 -7.450 12.285 1.00 0.00 O ATOM 271 CB THR A 50 -4.429 -10.176 14.215 1.00 0.00 C ATOM 272 OG1 THR A 50 -5.555 -9.421 14.591 1.00 0.00 O ATOM 273 CG2 THR A 50 -3.374 -9.942 15.296 1.00 0.00 C ATOM 0 H THR A 50 -2.743 -11.486 12.860 1.00 0.00 H new ATOM 0 HA THR A 50 -4.825 -9.897 12.131 1.00 0.00 H new ATOM 0 HB THR A 50 -4.638 -11.244 14.152 1.00 0.00 H new ATOM 0 HG1 THR A 50 -5.840 -9.684 15.491 1.00 0.00 H new ATOM 0 HG21 THR A 50 -3.770 -10.250 16.264 1.00 0.00 H new ATOM 0 HG22 THR A 50 -2.482 -10.525 15.066 1.00 0.00 H new ATOM 0 HG23 THR A 50 -3.116 -8.883 15.330 1.00 0.00 H new ATOM 281 N GLN A 51 -2.313 -8.017 13.175 1.00 0.00 N ATOM 282 CA GLN A 51 -1.742 -6.681 13.217 1.00 0.00 C ATOM 283 C GLN A 51 -1.622 -6.069 11.819 1.00 0.00 C ATOM 284 O GLN A 51 -1.934 -4.896 11.653 1.00 0.00 O ATOM 285 CB GLN A 51 -0.401 -6.738 13.968 1.00 0.00 C ATOM 286 CG GLN A 51 -0.106 -5.454 14.764 1.00 0.00 C ATOM 287 CD GLN A 51 0.544 -4.344 13.944 1.00 0.00 C ATOM 288 OE1 GLN A 51 0.023 -3.245 13.824 1.00 0.00 O ATOM 289 NE2 GLN A 51 1.717 -4.584 13.388 1.00 0.00 N ATOM 0 H GLN A 51 -1.666 -8.738 13.494 1.00 0.00 H new ATOM 0 HA GLN A 51 -2.410 -6.014 13.761 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -0.408 -7.589 14.650 1.00 0.00 H new ATOM 0 HB3 GLN A 51 0.403 -6.909 13.253 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -1.039 -5.080 15.186 1.00 0.00 H new ATOM 0 HG3 GLN A 51 0.547 -5.701 15.601 1.00 0.00 H new ATOM 0 HE21 GLN A 51 2.151 -5.502 13.489 1.00 0.00 H new ATOM 0 HE22 GLN A 51 2.189 -3.852 12.858 1.00 0.00 H new ATOM 298 N ALA A 52 -1.266 -6.865 10.803 1.00 0.00 N ATOM 299 CA ALA A 52 -1.170 -6.441 9.408 1.00 0.00 C ATOM 300 C ALA A 52 -2.504 -5.881 8.883 1.00 0.00 C ATOM 301 O ALA A 52 -2.522 -4.806 8.278 1.00 0.00 O ATOM 302 CB ALA A 52 -0.687 -7.624 8.553 1.00 0.00 C ATOM 0 H ALA A 52 -1.031 -7.849 10.937 1.00 0.00 H new ATOM 0 HA ALA A 52 -0.447 -5.628 9.341 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -0.613 -7.314 7.511 1.00 0.00 H new ATOM 0 HB2 ALA A 52 0.292 -7.951 8.904 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -1.396 -8.447 8.637 1.00 0.00 H new ATOM 308 N ILE A 53 -3.617 -6.590 9.143 1.00 0.00 N ATOM 309 CA ILE A 53 -4.968 -6.150 8.769 1.00 0.00 C ATOM 310 C ILE A 53 -5.277 -4.809 9.440 1.00 0.00 C ATOM 311 O ILE A 53 -5.574 -3.834 8.747 1.00 0.00 O ATOM 312 CB ILE A 53 -6.054 -7.214 9.086 1.00 0.00 C ATOM 313 CG1 ILE A 53 -5.944 -8.471 8.192 1.00 0.00 C ATOM 314 CG2 ILE A 53 -7.463 -6.610 8.899 1.00 0.00 C ATOM 315 CD1 ILE A 53 -4.901 -9.478 8.670 1.00 0.00 C ATOM 0 H ILE A 53 -3.601 -7.490 9.622 1.00 0.00 H new ATOM 0 HA ILE A 53 -4.990 -6.019 7.687 1.00 0.00 H new ATOM 0 HB ILE A 53 -5.891 -7.516 10.121 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -6.916 -8.962 8.150 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -5.698 -8.162 7.176 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -8.216 -7.366 9.124 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -7.588 -5.762 9.572 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -7.582 -6.276 7.868 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -4.882 -10.332 7.993 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -3.919 -9.005 8.685 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -5.156 -9.817 9.674 1.00 0.00 H new ATOM 327 N LEU A 54 -5.183 -4.754 10.776 1.00 0.00 N ATOM 328 CA LEU A 54 -5.494 -3.557 11.565 1.00 0.00 C ATOM 329 C LEU A 54 -4.657 -2.366 11.087 1.00 0.00 C ATOM 330 O LEU A 54 -5.216 -1.306 10.810 1.00 0.00 O ATOM 331 CB LEU A 54 -5.232 -3.797 13.064 1.00 0.00 C ATOM 332 CG LEU A 54 -5.943 -5.024 13.678 1.00 0.00 C ATOM 333 CD1 LEU A 54 -5.169 -5.533 14.904 1.00 0.00 C ATOM 334 CD2 LEU A 54 -7.415 -4.763 14.026 1.00 0.00 C ATOM 0 H LEU A 54 -4.886 -5.548 11.343 1.00 0.00 H new ATOM 0 HA LEU A 54 -6.552 -3.335 11.425 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -4.158 -3.909 13.213 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -5.539 -2.908 13.615 1.00 0.00 H new ATOM 0 HG LEU A 54 -5.949 -5.798 12.911 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -5.682 -6.397 15.325 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -4.161 -5.820 14.605 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -5.114 -4.743 15.653 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -7.854 -5.665 14.453 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -7.479 -3.951 14.750 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -7.959 -4.487 13.123 1.00 0.00 H new ATOM 346 N PHE A 55 -3.334 -2.562 10.968 1.00 0.00 N ATOM 347 CA PHE A 55 -2.375 -1.562 10.511 1.00 0.00 C ATOM 348 C PHE A 55 -2.760 -1.016 9.139 1.00 0.00 C ATOM 349 O PHE A 55 -2.909 0.197 8.999 1.00 0.00 O ATOM 350 CB PHE A 55 -0.948 -2.134 10.512 1.00 0.00 C ATOM 351 CG PHE A 55 0.131 -1.071 10.449 1.00 0.00 C ATOM 352 CD1 PHE A 55 0.256 -0.151 11.508 1.00 0.00 C ATOM 353 CD2 PHE A 55 1.021 -1.007 9.360 1.00 0.00 C ATOM 354 CE1 PHE A 55 1.250 0.841 11.472 1.00 0.00 C ATOM 355 CE2 PHE A 55 2.023 -0.020 9.328 1.00 0.00 C ATOM 356 CZ PHE A 55 2.135 0.907 10.380 1.00 0.00 C ATOM 0 H PHE A 55 -2.895 -3.454 11.197 1.00 0.00 H new ATOM 0 HA PHE A 55 -2.397 -0.726 11.210 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -0.806 -2.732 11.412 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -0.834 -2.806 9.662 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -0.416 -0.208 12.352 1.00 0.00 H new ATOM 0 HD2 PHE A 55 0.935 -1.715 8.549 1.00 0.00 H new ATOM 0 HE1 PHE A 55 1.335 1.552 12.281 1.00 0.00 H new ATOM 0 HE2 PHE A 55 2.708 0.026 8.494 1.00 0.00 H new ATOM 0 HZ PHE A 55 2.900 1.669 10.350 1.00 0.00 H new ATOM 366 N GLY A 56 -2.986 -1.894 8.152 1.00 0.00 N ATOM 367 CA GLY A 56 -3.431 -1.493 6.818 1.00 0.00 C ATOM 368 C GLY A 56 -4.717 -0.658 6.841 1.00 0.00 C ATOM 369 O GLY A 56 -4.794 0.359 6.150 1.00 0.00 O ATOM 0 H GLY A 56 -2.864 -2.901 8.260 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -2.640 -0.919 6.335 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -3.594 -2.384 6.212 1.00 0.00 H new ATOM 373 N VAL A 57 -5.703 -1.049 7.664 1.00 0.00 N ATOM 374 CA VAL A 57 -6.987 -0.340 7.808 1.00 0.00 C ATOM 375 C VAL A 57 -6.770 1.088 8.312 1.00 0.00 C ATOM 376 O VAL A 57 -7.091 2.047 7.603 1.00 0.00 O ATOM 377 CB VAL A 57 -7.961 -1.100 8.737 1.00 0.00 C ATOM 378 CG1 VAL A 57 -9.256 -0.301 8.959 1.00 0.00 C ATOM 379 CG2 VAL A 57 -8.329 -2.491 8.197 1.00 0.00 C ATOM 0 H VAL A 57 -5.631 -1.877 8.256 1.00 0.00 H new ATOM 0 HA VAL A 57 -7.442 -0.293 6.819 1.00 0.00 H new ATOM 0 HB VAL A 57 -7.433 -1.224 9.682 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -9.921 -0.861 9.616 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -9.017 0.659 9.417 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -9.749 -0.134 8.001 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -9.015 -2.980 8.889 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -8.808 -2.388 7.223 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -7.426 -3.093 8.096 1.00 0.00 H new ATOM 389 N ARG A 58 -6.230 1.238 9.532 1.00 0.00 N ATOM 390 CA ARG A 58 -5.974 2.557 10.133 1.00 0.00 C ATOM 391 C ARG A 58 -5.068 3.412 9.245 1.00 0.00 C ATOM 392 O ARG A 58 -5.317 4.606 9.114 1.00 0.00 O ATOM 393 CB ARG A 58 -5.421 2.428 11.565 1.00 0.00 C ATOM 394 CG ARG A 58 -4.053 1.732 11.623 1.00 0.00 C ATOM 395 CD ARG A 58 -3.542 1.523 13.046 1.00 0.00 C ATOM 396 NE ARG A 58 -2.601 2.586 13.431 1.00 0.00 N ATOM 397 CZ ARG A 58 -1.891 2.622 14.550 1.00 0.00 C ATOM 398 NH1 ARG A 58 -2.023 1.693 15.470 1.00 0.00 N ATOM 399 NH2 ARG A 58 -1.037 3.600 14.748 1.00 0.00 N ATOM 0 H ARG A 58 -5.960 0.454 10.126 1.00 0.00 H new ATOM 0 HA ARG A 58 -6.930 3.075 10.206 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -5.335 3.421 12.006 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -6.132 1.869 12.174 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -4.123 0.765 11.124 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -3.327 2.326 11.067 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -4.383 1.508 13.739 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -3.050 0.553 13.121 1.00 0.00 H new ATOM 0 HE ARG A 58 -2.485 3.363 12.780 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -2.681 0.926 15.330 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -1.467 1.739 16.324 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -0.922 4.328 14.042 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -0.489 3.632 15.607 1.00 0.00 H new ATOM 413 N SER A 59 -4.058 2.798 8.614 1.00 0.00 N ATOM 414 CA SER A 59 -3.122 3.449 7.698 1.00 0.00 C ATOM 415 C SER A 59 -3.850 4.040 6.491 1.00 0.00 C ATOM 416 O SER A 59 -3.738 5.240 6.247 1.00 0.00 O ATOM 417 CB SER A 59 -2.048 2.448 7.255 1.00 0.00 C ATOM 418 OG SER A 59 -1.067 3.075 6.459 1.00 0.00 O ATOM 0 H SER A 59 -3.867 1.803 8.733 1.00 0.00 H new ATOM 0 HA SER A 59 -2.640 4.274 8.222 1.00 0.00 H new ATOM 0 HB2 SER A 59 -1.579 2.002 8.132 1.00 0.00 H new ATOM 0 HB3 SER A 59 -2.512 1.637 6.694 1.00 0.00 H new ATOM 0 HG SER A 59 -0.393 2.416 6.191 1.00 0.00 H new ATOM 424 N GLY A 60 -4.643 3.231 5.772 1.00 0.00 N ATOM 425 CA GLY A 60 -5.422 3.684 4.621 1.00 0.00 C ATOM 426 C GLY A 60 -6.397 4.814 4.967 1.00 0.00 C ATOM 427 O GLY A 60 -6.445 5.822 4.261 1.00 0.00 O ATOM 0 H GLY A 60 -4.759 2.239 5.978 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -4.742 4.024 3.840 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -5.980 2.842 4.213 1.00 0.00 H new ATOM 431 N ALA A 61 -7.141 4.682 6.074 1.00 0.00 N ATOM 432 CA ALA A 61 -8.008 5.750 6.575 1.00 0.00 C ATOM 433 C ALA A 61 -7.222 7.029 6.915 1.00 0.00 C ATOM 434 O ALA A 61 -7.582 8.101 6.425 1.00 0.00 O ATOM 435 CB ALA A 61 -8.817 5.240 7.774 1.00 0.00 C ATOM 0 H ALA A 61 -7.157 3.835 6.643 1.00 0.00 H new ATOM 0 HA ALA A 61 -8.700 6.028 5.780 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -9.461 6.038 8.144 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -9.429 4.393 7.466 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -8.136 4.927 8.565 1.00 0.00 H new ATOM 441 N ALA A 62 -6.151 6.922 7.717 1.00 0.00 N ATOM 442 CA ALA A 62 -5.268 8.038 8.066 1.00 0.00 C ATOM 443 C ALA A 62 -4.653 8.709 6.824 1.00 0.00 C ATOM 444 O ALA A 62 -4.537 9.932 6.775 1.00 0.00 O ATOM 445 CB ALA A 62 -4.187 7.566 9.040 1.00 0.00 C ATOM 0 H ALA A 62 -5.872 6.040 8.147 1.00 0.00 H new ATOM 0 HA ALA A 62 -5.873 8.801 8.556 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -3.536 8.402 9.294 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -4.656 7.183 9.947 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -3.598 6.775 8.575 1.00 0.00 H new ATOM 451 N ALA A 63 -4.306 7.934 5.794 1.00 0.00 N ATOM 452 CA ALA A 63 -3.859 8.446 4.507 1.00 0.00 C ATOM 453 C ALA A 63 -4.968 9.208 3.772 1.00 0.00 C ATOM 454 O ALA A 63 -4.761 10.351 3.371 1.00 0.00 O ATOM 455 CB ALA A 63 -3.317 7.284 3.676 1.00 0.00 C ATOM 0 H ALA A 63 -4.330 6.915 5.837 1.00 0.00 H new ATOM 0 HA ALA A 63 -3.062 9.172 4.671 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -2.979 7.655 2.709 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -2.481 6.821 4.200 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -4.105 6.546 3.526 1.00 0.00 H new ATOM 461 N LEU A 64 -6.154 8.615 3.614 1.00 0.00 N ATOM 462 CA LEU A 64 -7.279 9.279 2.956 1.00 0.00 C ATOM 463 C LEU A 64 -7.602 10.619 3.620 1.00 0.00 C ATOM 464 O LEU A 64 -7.696 11.621 2.910 1.00 0.00 O ATOM 465 CB LEU A 64 -8.472 8.315 2.901 1.00 0.00 C ATOM 466 CG LEU A 64 -9.813 8.963 2.484 1.00 0.00 C ATOM 467 CD1 LEU A 64 -10.615 7.981 1.628 1.00 0.00 C ATOM 468 CD2 LEU A 64 -10.653 9.371 3.706 1.00 0.00 C ATOM 0 H LEU A 64 -6.359 7.669 3.936 1.00 0.00 H new ATOM 0 HA LEU A 64 -7.013 9.529 1.929 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -8.240 7.512 2.201 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -8.596 7.857 3.882 1.00 0.00 H new ATOM 0 HG LEU A 64 -9.583 9.863 1.913 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -11.559 8.440 1.336 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -10.044 7.726 0.735 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -10.814 7.076 2.202 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -11.587 9.822 3.371 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -10.871 8.489 4.308 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -10.097 10.091 4.306 1.00 0.00 H new ATOM 480 N THR A 65 -7.728 10.643 4.957 1.00 0.00 N ATOM 481 CA THR A 65 -8.017 11.877 5.704 1.00 0.00 C ATOM 482 C THR A 65 -6.908 12.921 5.546 1.00 0.00 C ATOM 483 O THR A 65 -7.215 14.088 5.307 1.00 0.00 O ATOM 484 CB THR A 65 -8.358 11.625 7.177 1.00 0.00 C ATOM 485 OG1 THR A 65 -8.801 12.832 7.738 1.00 0.00 O ATOM 486 CG2 THR A 65 -7.195 11.097 8.002 1.00 0.00 C ATOM 0 H THR A 65 -7.633 9.815 5.546 1.00 0.00 H new ATOM 0 HA THR A 65 -8.918 12.292 5.252 1.00 0.00 H new ATOM 0 HB THR A 65 -9.125 10.851 7.198 1.00 0.00 H new ATOM 0 HG1 THR A 65 -9.026 12.691 8.681 1.00 0.00 H new ATOM 0 HG21 THR A 65 -7.519 10.945 9.032 1.00 0.00 H new ATOM 0 HG22 THR A 65 -6.854 10.149 7.585 1.00 0.00 H new ATOM 0 HG23 THR A 65 -6.377 11.818 7.981 1.00 0.00 H new ATOM 494 N LEU A 66 -5.625 12.522 5.589 1.00 0.00 N ATOM 495 CA LEU A 66 -4.520 13.466 5.410 1.00 0.00 C ATOM 496 C LEU A 66 -4.536 14.081 4.003 1.00 0.00 C ATOM 497 O LEU A 66 -4.211 15.252 3.845 1.00 0.00 O ATOM 498 CB LEU A 66 -3.167 12.832 5.798 1.00 0.00 C ATOM 499 CG LEU A 66 -2.309 12.284 4.637 1.00 0.00 C ATOM 500 CD1 LEU A 66 -1.540 13.397 3.909 1.00 0.00 C ATOM 501 CD2 LEU A 66 -1.322 11.218 5.110 1.00 0.00 C ATOM 0 H LEU A 66 -5.334 11.557 5.745 1.00 0.00 H new ATOM 0 HA LEU A 66 -4.662 14.298 6.100 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -2.581 13.579 6.334 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -3.359 12.017 6.496 1.00 0.00 H new ATOM 0 HG LEU A 66 -3.012 11.830 3.938 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -0.951 12.964 3.101 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -2.246 14.118 3.497 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -0.876 13.900 4.612 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -0.739 10.860 4.262 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -0.652 11.647 5.855 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -1.870 10.385 5.551 1.00 0.00 H new ATOM 513 N ILE A 67 -4.899 13.306 2.975 1.00 0.00 N ATOM 514 CA ILE A 67 -4.897 13.772 1.585 1.00 0.00 C ATOM 515 C ILE A 67 -6.042 14.759 1.368 1.00 0.00 C ATOM 516 O ILE A 67 -5.799 15.887 0.941 1.00 0.00 O ATOM 517 CB ILE A 67 -4.968 12.576 0.623 1.00 0.00 C ATOM 518 CG1 ILE A 67 -3.670 11.747 0.722 1.00 0.00 C ATOM 519 CG2 ILE A 67 -5.161 13.034 -0.834 1.00 0.00 C ATOM 520 CD1 ILE A 67 -3.865 10.312 0.242 1.00 0.00 C ATOM 0 H ILE A 67 -5.202 12.338 3.084 1.00 0.00 H new ATOM 0 HA ILE A 67 -3.966 14.298 1.375 1.00 0.00 H new ATOM 0 HB ILE A 67 -5.826 11.969 0.912 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -2.890 12.224 0.129 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -3.324 11.739 1.756 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -5.207 12.162 -1.486 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -6.089 13.599 -0.918 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -4.324 13.666 -1.131 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -2.925 9.768 0.330 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -4.625 9.824 0.852 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -4.185 10.317 -0.800 1.00 0.00 H new ATOM 532 N VAL A 68 -7.279 14.355 1.691 1.00 0.00 N ATOM 533 CA VAL A 68 -8.451 15.234 1.585 1.00 0.00 C ATOM 534 C VAL A 68 -8.256 16.518 2.387 1.00 0.00 C ATOM 535 O VAL A 68 -8.411 17.598 1.814 1.00 0.00 O ATOM 536 CB VAL A 68 -9.767 14.515 1.948 1.00 0.00 C ATOM 537 CG1 VAL A 68 -9.804 13.995 3.386 1.00 0.00 C ATOM 538 CG2 VAL A 68 -11.000 15.406 1.719 1.00 0.00 C ATOM 0 H VAL A 68 -7.494 13.417 2.030 1.00 0.00 H new ATOM 0 HA VAL A 68 -8.543 15.515 0.536 1.00 0.00 H new ATOM 0 HB VAL A 68 -9.800 13.659 1.273 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -10.758 13.501 3.570 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -8.992 13.283 3.537 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -9.688 14.829 4.078 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -11.902 14.856 1.989 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -10.922 16.301 2.337 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -11.051 15.694 0.669 1.00 0.00 H new ATOM 548 N VAL A 69 -7.866 16.417 3.670 1.00 0.00 N ATOM 549 CA VAL A 69 -7.618 17.593 4.507 1.00 0.00 C ATOM 550 C VAL A 69 -6.508 18.443 3.896 1.00 0.00 C ATOM 551 O VAL A 69 -6.676 19.648 3.821 1.00 0.00 O ATOM 552 CB VAL A 69 -7.353 17.230 5.988 1.00 0.00 C ATOM 553 CG1 VAL A 69 -5.924 16.763 6.258 1.00 0.00 C ATOM 554 CG2 VAL A 69 -7.607 18.410 6.926 1.00 0.00 C ATOM 0 H VAL A 69 -7.717 15.528 4.147 1.00 0.00 H new ATOM 0 HA VAL A 69 -8.528 18.192 4.526 1.00 0.00 H new ATOM 0 HB VAL A 69 -8.049 16.414 6.182 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -5.812 16.526 7.316 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -5.713 15.874 5.663 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -5.225 17.555 5.988 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -7.408 18.107 7.954 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -6.949 19.237 6.657 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -8.645 18.729 6.836 1.00 0.00 H new ATOM 564 N TRP A 70 -5.424 17.853 3.376 1.00 0.00 N ATOM 565 CA TRP A 70 -4.341 18.608 2.744 1.00 0.00 C ATOM 566 C TRP A 70 -4.789 19.370 1.486 1.00 0.00 C ATOM 567 O TRP A 70 -4.297 20.469 1.233 1.00 0.00 O ATOM 568 CB TRP A 70 -3.169 17.662 2.447 1.00 0.00 C ATOM 569 CG TRP A 70 -2.063 18.239 1.627 1.00 0.00 C ATOM 570 CD1 TRP A 70 -1.545 17.675 0.513 1.00 0.00 C ATOM 571 CD2 TRP A 70 -1.393 19.525 1.782 1.00 0.00 C ATOM 572 NE1 TRP A 70 -0.609 18.529 -0.037 1.00 0.00 N ATOM 573 CE2 TRP A 70 -0.512 19.704 0.678 1.00 0.00 C ATOM 574 CE3 TRP A 70 -1.485 20.579 2.718 1.00 0.00 C ATOM 575 CZ2 TRP A 70 0.221 20.884 0.489 1.00 0.00 C ATOM 576 CZ3 TRP A 70 -0.781 21.780 2.520 1.00 0.00 C ATOM 577 CH2 TRP A 70 0.064 21.933 1.409 1.00 0.00 C ATOM 0 H TRP A 70 -5.276 16.844 3.383 1.00 0.00 H new ATOM 0 HA TRP A 70 -4.017 19.377 3.445 1.00 0.00 H new ATOM 0 HB2 TRP A 70 -2.753 17.320 3.395 1.00 0.00 H new ATOM 0 HB3 TRP A 70 -3.557 16.783 1.933 1.00 0.00 H new ATOM 0 HD1 TRP A 70 -1.820 16.709 0.116 1.00 0.00 H new ATOM 0 HE1 TRP A 70 -0.058 18.317 -0.869 1.00 0.00 H new ATOM 0 HE3 TRP A 70 -2.103 20.461 3.596 1.00 0.00 H new ATOM 0 HZ2 TRP A 70 0.894 20.984 -0.349 1.00 0.00 H new ATOM 0 HZ3 TRP A 70 -0.891 22.589 3.227 1.00 0.00 H new ATOM 0 HH2 TRP A 70 0.595 22.862 1.262 1.00 0.00 H new ATOM 588 N ILE A 71 -5.734 18.830 0.713 1.00 0.00 N ATOM 589 CA ILE A 71 -6.263 19.497 -0.481 1.00 0.00 C ATOM 590 C ILE A 71 -7.130 20.704 -0.098 1.00 0.00 C ATOM 591 O ILE A 71 -6.810 21.834 -0.474 1.00 0.00 O ATOM 592 CB ILE A 71 -7.012 18.476 -1.365 1.00 0.00 C ATOM 593 CG1 ILE A 71 -6.000 17.501 -2.010 1.00 0.00 C ATOM 594 CG2 ILE A 71 -7.843 19.175 -2.457 1.00 0.00 C ATOM 595 CD1 ILE A 71 -6.612 16.120 -2.270 1.00 0.00 C ATOM 0 H ILE A 71 -6.154 17.919 0.896 1.00 0.00 H new ATOM 0 HA ILE A 71 -5.436 19.892 -1.071 1.00 0.00 H new ATOM 0 HB ILE A 71 -7.701 17.920 -0.729 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -5.642 17.921 -2.950 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -5.133 17.395 -1.358 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -8.356 18.425 -3.060 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -8.578 19.831 -1.991 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -7.184 19.764 -3.095 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -5.864 15.470 -2.724 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -6.946 15.687 -1.327 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -7.462 16.220 -2.944 1.00 0.00 H new ATOM 607 N THR A 72 -8.239 20.463 0.615 1.00 0.00 N ATOM 608 CA THR A 72 -9.221 21.501 0.984 1.00 0.00 C ATOM 609 C THR A 72 -8.719 22.413 2.110 1.00 0.00 C ATOM 610 O THR A 72 -8.705 23.636 1.971 1.00 0.00 O ATOM 611 CB THR A 72 -10.586 20.869 1.327 1.00 0.00 C ATOM 612 OG1 THR A 72 -11.500 21.869 1.721 1.00 0.00 O ATOM 613 CG2 THR A 72 -10.559 19.779 2.409 1.00 0.00 C ATOM 0 H THR A 72 -8.485 19.534 0.957 1.00 0.00 H new ATOM 0 HA THR A 72 -9.354 22.141 0.112 1.00 0.00 H new ATOM 0 HB THR A 72 -10.894 20.374 0.406 1.00 0.00 H new ATOM 0 HG1 THR A 72 -12.363 21.457 1.935 1.00 0.00 H new ATOM 0 HG21 THR A 72 -11.569 19.403 2.572 1.00 0.00 H new ATOM 0 HG22 THR A 72 -9.915 18.961 2.085 1.00 0.00 H new ATOM 0 HG23 THR A 72 -10.173 20.198 3.338 1.00 0.00 H new ATOM 621 N SER A 73 -8.244 21.816 3.204 1.00 0.00 N ATOM 622 CA SER A 73 -7.718 22.446 4.416 1.00 0.00 C ATOM 623 C SER A 73 -6.189 22.402 4.403 1.00 0.00 C ATOM 624 O SER A 73 -5.575 21.907 5.347 1.00 0.00 O ATOM 625 CB SER A 73 -8.287 21.723 5.652 1.00 0.00 C ATOM 626 OG SER A 73 -9.535 22.273 6.014 1.00 0.00 O ATOM 0 H SER A 73 -8.215 20.799 3.271 1.00 0.00 H new ATOM 0 HA SER A 73 -8.023 23.492 4.455 1.00 0.00 H new ATOM 0 HB2 SER A 73 -8.399 20.660 5.439 1.00 0.00 H new ATOM 0 HB3 SER A 73 -7.589 21.810 6.485 1.00 0.00 H new ATOM 0 HG SER A 73 -9.884 21.802 6.799 1.00 0.00 H new ATOM 632 N ARG A 74 -5.584 22.921 3.323 1.00 0.00 N ATOM 633 CA ARG A 74 -4.135 23.084 3.121 1.00 0.00 C ATOM 634 C ARG A 74 -3.402 23.571 4.375 1.00 0.00 C ATOM 635 O ARG A 74 -3.199 24.766 4.568 1.00 0.00 O ATOM 636 CB ARG A 74 -3.836 23.983 1.912 1.00 0.00 C ATOM 637 CG ARG A 74 -4.627 25.305 1.898 1.00 0.00 C ATOM 638 CD ARG A 74 -5.768 25.274 0.864 1.00 0.00 C ATOM 639 NE ARG A 74 -6.083 26.615 0.336 1.00 0.00 N ATOM 640 CZ ARG A 74 -5.289 27.369 -0.417 1.00 0.00 C ATOM 641 NH1 ARG A 74 -4.090 26.960 -0.770 1.00 0.00 N ATOM 642 NH2 ARG A 74 -5.681 28.554 -0.824 1.00 0.00 N ATOM 0 H ARG A 74 -6.121 23.257 2.524 1.00 0.00 H new ATOM 0 HA ARG A 74 -3.744 22.089 2.909 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -2.770 24.210 1.897 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -4.057 23.430 0.999 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -5.039 25.493 2.889 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -3.952 26.131 1.671 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -5.490 24.618 0.039 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -6.660 24.848 1.324 1.00 0.00 H new ATOM 0 HE ARG A 74 -6.998 27.000 0.571 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -3.752 26.047 -0.465 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -3.498 27.556 -1.349 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -6.603 28.904 -0.563 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -5.064 29.125 -1.402 1.00 0.00 H new ATOM 656 N SER A 75 -2.996 22.612 5.210 1.00 0.00 N ATOM 657 CA SER A 75 -2.346 22.842 6.492 1.00 0.00 C ATOM 658 C SER A 75 -0.990 23.490 6.243 1.00 0.00 C ATOM 659 O SER A 75 -0.840 24.693 6.457 1.00 0.00 O ATOM 660 CB SER A 75 -2.273 21.525 7.291 1.00 0.00 C ATOM 661 OG SER A 75 -1.277 21.567 8.294 1.00 0.00 O ATOM 0 H SER A 75 -3.117 21.621 5.000 1.00 0.00 H new ATOM 0 HA SER A 75 -2.922 23.531 7.110 1.00 0.00 H new ATOM 0 HB2 SER A 75 -3.241 21.326 7.750 1.00 0.00 H new ATOM 0 HB3 SER A 75 -2.067 20.699 6.610 1.00 0.00 H new ATOM 0 HG SER A 75 -1.264 20.715 8.778 1.00 0.00 H new ATOM 667 N ARG A 76 -0.016 22.693 5.777 1.00 0.00 N ATOM 668 CA ARG A 76 1.362 23.116 5.527 1.00 0.00 C ATOM 669 C ARG A 76 2.000 22.331 4.388 1.00 0.00 C ATOM 670 O ARG A 76 2.237 22.898 3.324 1.00 0.00 O ATOM 671 CB ARG A 76 2.184 22.989 6.828 1.00 0.00 C ATOM 672 CG ARG A 76 1.753 23.956 7.941 1.00 0.00 C ATOM 673 CD ARG A 76 1.930 25.436 7.553 1.00 0.00 C ATOM 674 NE ARG A 76 3.351 25.796 7.413 1.00 0.00 N ATOM 675 CZ ARG A 76 4.230 25.911 8.400 1.00 0.00 C ATOM 676 NH1 ARG A 76 3.884 25.761 9.659 1.00 0.00 N ATOM 677 NH2 ARG A 76 5.487 26.172 8.139 1.00 0.00 N ATOM 0 H ARG A 76 -0.175 21.709 5.559 1.00 0.00 H new ATOM 0 HA ARG A 76 1.351 24.160 5.214 1.00 0.00 H new ATOM 0 HB2 ARG A 76 2.102 21.967 7.198 1.00 0.00 H new ATOM 0 HB3 ARG A 76 3.235 23.162 6.599 1.00 0.00 H new ATOM 0 HG2 ARG A 76 0.707 23.773 8.189 1.00 0.00 H new ATOM 0 HG3 ARG A 76 2.334 23.749 8.840 1.00 0.00 H new ATOM 0 HD2 ARG A 76 1.411 25.631 6.614 1.00 0.00 H new ATOM 0 HD3 ARG A 76 1.467 26.069 8.310 1.00 0.00 H new ATOM 0 HE ARG A 76 3.692 25.974 6.468 1.00 0.00 H new ATOM 0 HH11 ARG A 76 2.916 25.550 9.900 1.00 0.00 H new ATOM 0 HH12 ARG A 76 4.584 25.856 10.395 1.00 0.00 H new ATOM 0 HH21 ARG A 76 5.794 26.288 7.173 1.00 0.00 H new ATOM 0 HH22 ARG A 76 6.159 26.259 8.902 1.00 0.00 H new ATOM 691 N LYS A 77 2.317 21.058 4.660 1.00 0.00 N ATOM 692 CA LYS A 77 3.007 20.094 3.799 1.00 0.00 C ATOM 693 C LYS A 77 3.276 18.805 4.575 1.00 0.00 C ATOM 694 O LYS A 77 3.478 18.821 5.793 1.00 0.00 O ATOM 695 CB LYS A 77 4.330 20.667 3.246 1.00 0.00 C ATOM 696 CG LYS A 77 5.279 21.223 4.328 1.00 0.00 C ATOM 697 CD LYS A 77 6.389 22.111 3.751 1.00 0.00 C ATOM 698 CE LYS A 77 7.416 21.318 2.932 1.00 0.00 C ATOM 699 NZ LYS A 77 7.047 21.227 1.496 1.00 0.00 N ATOM 0 H LYS A 77 2.077 20.645 5.561 1.00 0.00 H new ATOM 0 HA LYS A 77 2.359 19.880 2.949 1.00 0.00 H new ATOM 0 HB2 LYS A 77 4.848 19.885 2.691 1.00 0.00 H new ATOM 0 HB3 LYS A 77 4.100 21.462 2.537 1.00 0.00 H new ATOM 0 HG2 LYS A 77 4.700 21.798 5.051 1.00 0.00 H new ATOM 0 HG3 LYS A 77 5.731 20.392 4.870 1.00 0.00 H new ATOM 0 HD2 LYS A 77 5.943 22.880 3.120 1.00 0.00 H new ATOM 0 HD3 LYS A 77 6.899 22.624 4.566 1.00 0.00 H new ATOM 0 HE2 LYS A 77 8.393 21.791 3.024 1.00 0.00 H new ATOM 0 HE3 LYS A 77 7.508 20.313 3.345 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 7.910 21.166 0.919 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 6.466 20.379 1.340 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 6.507 22.072 1.222 1.00 0.00 H new ATOM 713 N THR A 78 3.320 17.698 3.840 1.00 0.00 N ATOM 714 CA THR A 78 3.610 16.360 4.351 1.00 0.00 C ATOM 715 C THR A 78 5.004 15.890 3.932 1.00 0.00 C ATOM 716 O THR A 78 5.564 16.405 2.960 1.00 0.00 O ATOM 717 CB THR A 78 2.549 15.357 3.873 1.00 0.00 C ATOM 718 OG1 THR A 78 1.917 15.764 2.682 1.00 0.00 O ATOM 719 CG2 THR A 78 1.471 15.208 4.937 1.00 0.00 C ATOM 0 H THR A 78 3.148 17.707 2.835 1.00 0.00 H new ATOM 0 HA THR A 78 3.584 16.412 5.439 1.00 0.00 H new ATOM 0 HB THR A 78 3.069 14.417 3.690 1.00 0.00 H new ATOM 0 HG1 THR A 78 1.253 15.093 2.418 1.00 0.00 H new ATOM 0 HG21 THR A 78 0.719 14.496 4.596 1.00 0.00 H new ATOM 0 HG22 THR A 78 1.920 14.846 5.862 1.00 0.00 H new ATOM 0 HG23 THR A 78 1.000 16.175 5.116 1.00 0.00 H new ATOM 727 N PRO A 79 5.587 14.920 4.661 1.00 0.00 N ATOM 728 CA PRO A 79 6.903 14.388 4.336 1.00 0.00 C ATOM 729 C PRO A 79 6.862 13.557 3.043 1.00 0.00 C ATOM 730 O PRO A 79 5.860 12.921 2.712 1.00 0.00 O ATOM 731 CB PRO A 79 7.322 13.563 5.561 1.00 0.00 C ATOM 732 CG PRO A 79 6.003 13.159 6.207 1.00 0.00 C ATOM 733 CD PRO A 79 5.050 14.297 5.863 1.00 0.00 C ATOM 0 HA PRO A 79 7.630 15.176 4.137 1.00 0.00 H new ATOM 0 HB2 PRO A 79 7.908 12.690 5.272 1.00 0.00 H new ATOM 0 HB3 PRO A 79 7.937 14.148 6.244 1.00 0.00 H new ATOM 0 HG2 PRO A 79 5.644 12.207 5.816 1.00 0.00 H new ATOM 0 HG3 PRO A 79 6.108 13.041 7.285 1.00 0.00 H new ATOM 0 HD2 PRO A 79 4.041 13.923 5.691 1.00 0.00 H new ATOM 0 HD3 PRO A 79 4.988 15.015 6.681 1.00 0.00 H new ATOM 849 N VAL A 86 1.390 6.891 0.298 1.00 0.00 N ATOM 850 CA VAL A 86 0.044 7.224 -0.167 1.00 0.00 C ATOM 851 C VAL A 86 -0.012 7.091 -1.684 1.00 0.00 C ATOM 852 O VAL A 86 -0.911 6.417 -2.153 1.00 0.00 O ATOM 853 CB VAL A 86 -0.472 8.601 0.312 1.00 0.00 C ATOM 854 CG1 VAL A 86 -0.397 8.754 1.837 1.00 0.00 C ATOM 855 CG2 VAL A 86 0.221 9.776 -0.376 1.00 0.00 C ATOM 0 HA VAL A 86 -0.640 6.509 0.290 1.00 0.00 H new ATOM 0 HB VAL A 86 -1.521 8.628 0.019 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -0.771 9.737 2.123 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -1.005 7.983 2.310 1.00 0.00 H new ATOM 0 HG13 VAL A 86 0.638 8.650 2.163 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -0.187 10.712 0.005 1.00 0.00 H new ATOM 0 HG22 VAL A 86 1.291 9.737 -0.173 1.00 0.00 H new ATOM 0 HG23 VAL A 86 0.054 9.718 -1.452 1.00 0.00 H new ATOM 865 N SER A 87 0.947 7.642 -2.448 1.00 0.00 N ATOM 866 CA SER A 87 0.983 7.565 -3.915 1.00 0.00 C ATOM 867 C SER A 87 0.860 6.129 -4.413 1.00 0.00 C ATOM 868 O SER A 87 -0.056 5.828 -5.179 1.00 0.00 O ATOM 869 CB SER A 87 2.256 8.220 -4.461 1.00 0.00 C ATOM 870 OG SER A 87 2.445 7.915 -5.827 1.00 0.00 O ATOM 0 H SER A 87 1.731 8.162 -2.055 1.00 0.00 H new ATOM 0 HA SER A 87 0.120 8.114 -4.290 1.00 0.00 H new ATOM 0 HB2 SER A 87 2.195 9.301 -4.333 1.00 0.00 H new ATOM 0 HB3 SER A 87 3.118 7.879 -3.887 1.00 0.00 H new ATOM 0 HG SER A 87 3.264 8.347 -6.149 1.00 0.00 H new ATOM 876 N LEU A 88 1.727 5.225 -3.935 1.00 0.00 N ATOM 877 CA LEU A 88 1.638 3.811 -4.290 1.00 0.00 C ATOM 878 C LEU A 88 0.235 3.263 -4.023 1.00 0.00 C ATOM 879 O LEU A 88 -0.424 2.790 -4.951 1.00 0.00 O ATOM 880 CB LEU A 88 2.706 3.004 -3.535 1.00 0.00 C ATOM 881 CG LEU A 88 4.063 2.951 -4.259 1.00 0.00 C ATOM 882 CD1 LEU A 88 5.049 2.179 -3.379 1.00 0.00 C ATOM 883 CD2 LEU A 88 3.953 2.272 -5.635 1.00 0.00 C ATOM 0 H LEU A 88 2.495 5.452 -3.303 1.00 0.00 H new ATOM 0 HA LEU A 88 1.828 3.711 -5.359 1.00 0.00 H new ATOM 0 HB2 LEU A 88 2.848 3.440 -2.546 1.00 0.00 H new ATOM 0 HB3 LEU A 88 2.343 1.987 -3.386 1.00 0.00 H new ATOM 0 HG LEU A 88 4.409 3.971 -4.428 1.00 0.00 H new ATOM 0 HD11 LEU A 88 6.018 2.130 -3.875 1.00 0.00 H new ATOM 0 HD12 LEU A 88 5.157 2.688 -2.421 1.00 0.00 H new ATOM 0 HD13 LEU A 88 4.675 1.169 -3.213 1.00 0.00 H new ATOM 0 HD21 LEU A 88 4.933 2.256 -6.112 1.00 0.00 H new ATOM 0 HD22 LEU A 88 3.594 1.251 -5.509 1.00 0.00 H new ATOM 0 HD23 LEU A 88 3.254 2.828 -6.260 1.00 0.00 H new ATOM 895 N PHE A 89 -0.243 3.371 -2.778 1.00 0.00 N ATOM 896 CA PHE A 89 -1.587 2.927 -2.423 1.00 0.00 C ATOM 897 C PHE A 89 -2.681 3.611 -3.257 1.00 0.00 C ATOM 898 O PHE A 89 -3.628 2.939 -3.627 1.00 0.00 O ATOM 899 CB PHE A 89 -1.824 3.091 -0.914 1.00 0.00 C ATOM 900 CG PHE A 89 -1.447 1.858 -0.110 1.00 0.00 C ATOM 901 CD1 PHE A 89 -0.095 1.501 0.065 1.00 0.00 C ATOM 902 CD2 PHE A 89 -2.457 1.039 0.432 1.00 0.00 C ATOM 903 CE1 PHE A 89 0.243 0.336 0.778 1.00 0.00 C ATOM 904 CE2 PHE A 89 -2.119 -0.121 1.151 1.00 0.00 C ATOM 905 CZ PHE A 89 -0.769 -0.473 1.325 1.00 0.00 C ATOM 0 H PHE A 89 0.287 3.764 -2.000 1.00 0.00 H new ATOM 0 HA PHE A 89 -1.655 1.867 -2.666 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -1.247 3.942 -0.553 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -2.875 3.322 -0.741 1.00 0.00 H new ATOM 0 HD1 PHE A 89 0.684 2.124 -0.349 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -3.495 1.303 0.295 1.00 0.00 H new ATOM 0 HE1 PHE A 89 1.280 0.063 0.905 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -2.897 -0.742 1.570 1.00 0.00 H new ATOM 0 HZ PHE A 89 -0.509 -1.364 1.878 1.00 0.00 H new ATOM 915 N LEU A 90 -2.553 4.890 -3.617 1.00 0.00 N ATOM 916 CA LEU A 90 -3.519 5.674 -4.390 1.00 0.00 C ATOM 917 C LEU A 90 -3.793 5.052 -5.758 1.00 0.00 C ATOM 918 O LEU A 90 -4.941 4.730 -6.077 1.00 0.00 O ATOM 919 CB LEU A 90 -3.017 7.128 -4.566 1.00 0.00 C ATOM 920 CG LEU A 90 -3.759 8.183 -3.740 1.00 0.00 C ATOM 921 CD1 LEU A 90 -5.264 8.179 -4.012 1.00 0.00 C ATOM 922 CD2 LEU A 90 -3.501 8.010 -2.248 1.00 0.00 C ATOM 0 H LEU A 90 -1.729 5.435 -3.364 1.00 0.00 H new ATOM 0 HA LEU A 90 -4.454 5.678 -3.830 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -1.960 7.164 -4.304 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -3.094 7.396 -5.620 1.00 0.00 H new ATOM 0 HG LEU A 90 -3.363 9.149 -4.054 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -5.746 8.944 -3.403 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -5.444 8.388 -5.067 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -5.677 7.202 -3.761 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -4.043 8.776 -1.694 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -3.841 7.024 -1.932 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -2.434 8.106 -2.050 1.00 0.00 H new ATOM 934 N ILE A 91 -2.736 4.893 -6.565 1.00 0.00 N ATOM 935 CA ILE A 91 -2.866 4.291 -7.891 1.00 0.00 C ATOM 936 C ILE A 91 -3.335 2.843 -7.753 1.00 0.00 C ATOM 937 O ILE A 91 -4.298 2.465 -8.421 1.00 0.00 O ATOM 938 CB ILE A 91 -1.567 4.393 -8.720 1.00 0.00 C ATOM 939 CG1 ILE A 91 -1.230 5.853 -9.109 1.00 0.00 C ATOM 940 CG2 ILE A 91 -1.719 3.564 -10.011 1.00 0.00 C ATOM 941 CD1 ILE A 91 -0.404 6.599 -8.059 1.00 0.00 C ATOM 0 H ILE A 91 -1.786 5.173 -6.321 1.00 0.00 H new ATOM 0 HA ILE A 91 -3.616 4.856 -8.445 1.00 0.00 H new ATOM 0 HB ILE A 91 -0.756 4.012 -8.100 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -0.684 5.851 -10.052 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -2.159 6.397 -9.280 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -0.803 3.634 -10.598 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -1.906 2.521 -9.754 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -2.555 3.950 -10.595 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -0.209 7.614 -8.404 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -0.956 6.635 -7.120 1.00 0.00 H new ATOM 0 HD13 ILE A 91 0.542 6.080 -7.904 1.00 0.00 H new ATOM 953 N ILE A 92 -2.677 2.054 -6.888 1.00 0.00 N ATOM 954 CA ILE A 92 -3.020 0.644 -6.658 1.00 0.00 C ATOM 955 C ILE A 92 -4.487 0.501 -6.234 1.00 0.00 C ATOM 956 O ILE A 92 -5.165 -0.412 -6.697 1.00 0.00 O ATOM 957 CB ILE A 92 -2.057 -0.009 -5.638 1.00 0.00 C ATOM 958 CG1 ILE A 92 -0.600 -0.020 -6.159 1.00 0.00 C ATOM 959 CG2 ILE A 92 -2.497 -1.452 -5.323 1.00 0.00 C ATOM 960 CD1 ILE A 92 0.423 -0.267 -5.038 1.00 0.00 C ATOM 0 H ILE A 92 -1.889 2.379 -6.327 1.00 0.00 H new ATOM 0 HA ILE A 92 -2.898 0.107 -7.599 1.00 0.00 H new ATOM 0 HB ILE A 92 -2.096 0.590 -4.728 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -0.495 -0.794 -6.919 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -0.383 0.933 -6.642 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -1.807 -1.894 -4.604 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -3.503 -1.442 -4.902 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -2.493 -2.042 -6.240 1.00 0.00 H new ATOM 0 HD11 ILE A 92 1.429 -0.265 -5.457 1.00 0.00 H new ATOM 0 HD12 ILE A 92 0.340 0.521 -4.290 1.00 0.00 H new ATOM 0 HD13 ILE A 92 0.226 -1.232 -4.572 1.00 0.00 H new ATOM 972 N LEU A 93 -5.003 1.421 -5.410 1.00 0.00 N ATOM 973 CA LEU A 93 -6.408 1.480 -5.031 1.00 0.00 C ATOM 974 C LEU A 93 -7.282 1.716 -6.252 1.00 0.00 C ATOM 975 O LEU A 93 -8.151 0.894 -6.506 1.00 0.00 O ATOM 976 CB LEU A 93 -6.663 2.557 -3.961 1.00 0.00 C ATOM 977 CG LEU A 93 -6.379 2.057 -2.534 1.00 0.00 C ATOM 978 CD1 LEU A 93 -6.385 3.252 -1.574 1.00 0.00 C ATOM 979 CD2 LEU A 93 -7.414 1.012 -2.088 1.00 0.00 C ATOM 0 H LEU A 93 -4.440 2.156 -4.983 1.00 0.00 H new ATOM 0 HA LEU A 93 -6.673 0.517 -4.595 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -6.037 3.425 -4.169 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -7.699 2.889 -4.026 1.00 0.00 H new ATOM 0 HG LEU A 93 -5.401 1.575 -2.521 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -6.184 2.905 -0.560 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -5.615 3.963 -1.873 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -7.360 3.739 -1.605 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -7.183 0.680 -1.076 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -8.410 1.455 -2.107 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -7.384 0.158 -2.765 1.00 0.00 H new ATOM 991 N HIS A 94 -7.073 2.802 -7.009 1.00 0.00 N ATOM 992 CA HIS A 94 -7.898 3.096 -8.184 1.00 0.00 C ATOM 993 C HIS A 94 -7.898 1.931 -9.190 1.00 0.00 C ATOM 994 O HIS A 94 -8.972 1.490 -9.600 1.00 0.00 O ATOM 995 CB HIS A 94 -7.453 4.420 -8.822 1.00 0.00 C ATOM 996 CG HIS A 94 -8.279 4.879 -10.007 1.00 0.00 C ATOM 997 ND1 HIS A 94 -7.885 5.828 -10.924 1.00 0.00 N ATOM 998 CD2 HIS A 94 -9.541 4.471 -10.362 1.00 0.00 C ATOM 999 CE1 HIS A 94 -8.878 5.973 -11.821 1.00 0.00 C ATOM 1000 NE2 HIS A 94 -9.907 5.169 -11.515 1.00 0.00 N ATOM 0 H HIS A 94 -6.341 3.489 -6.827 1.00 0.00 H new ATOM 0 HA HIS A 94 -8.932 3.212 -7.860 1.00 0.00 H new ATOM 0 HB2 HIS A 94 -7.479 5.198 -8.059 1.00 0.00 H new ATOM 0 HB3 HIS A 94 -6.415 4.320 -9.141 1.00 0.00 H new ATOM 0 HD2 HIS A 94 -10.143 3.741 -9.842 1.00 0.00 H new ATOM 0 HE1 HIS A 94 -8.850 6.643 -12.668 1.00 0.00 H new ATOM 0 HE2 HIS A 94 -10.786 5.084 -12.025 1.00 0.00 H new ATOM 1008 N SER A 95 -6.723 1.397 -9.549 1.00 0.00 N ATOM 1009 CA SER A 95 -6.608 0.263 -10.475 1.00 0.00 C ATOM 1010 C SER A 95 -7.293 -1.002 -9.943 1.00 0.00 C ATOM 1011 O SER A 95 -8.132 -1.577 -10.643 1.00 0.00 O ATOM 1012 CB SER A 95 -5.140 -0.003 -10.835 1.00 0.00 C ATOM 1013 OG SER A 95 -4.354 -0.251 -9.690 1.00 0.00 O ATOM 0 H SER A 95 -5.826 1.739 -9.206 1.00 0.00 H new ATOM 0 HA SER A 95 -7.138 0.540 -11.386 1.00 0.00 H new ATOM 0 HB2 SER A 95 -5.081 -0.858 -11.508 1.00 0.00 H new ATOM 0 HB3 SER A 95 -4.737 0.855 -11.373 1.00 0.00 H new ATOM 0 HG SER A 95 -4.255 0.577 -9.175 1.00 0.00 H new ATOM 1019 N ALA A 96 -6.990 -1.418 -8.705 1.00 0.00 N ATOM 1020 CA ALA A 96 -7.603 -2.591 -8.079 1.00 0.00 C ATOM 1021 C ALA A 96 -9.123 -2.429 -7.912 1.00 0.00 C ATOM 1022 O ALA A 96 -9.876 -3.366 -8.192 1.00 0.00 O ATOM 1023 CB ALA A 96 -6.930 -2.860 -6.729 1.00 0.00 C ATOM 0 H ALA A 96 -6.309 -0.946 -8.110 1.00 0.00 H new ATOM 0 HA ALA A 96 -7.450 -3.447 -8.737 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -7.386 -3.733 -6.263 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -5.867 -3.045 -6.883 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -7.058 -1.994 -6.080 1.00 0.00 H new ATOM 1029 N LEU A 97 -9.580 -1.238 -7.502 1.00 0.00 N ATOM 1030 CA LEU A 97 -10.992 -0.877 -7.423 1.00 0.00 C ATOM 1031 C LEU A 97 -11.667 -1.012 -8.785 1.00 0.00 C ATOM 1032 O LEU A 97 -12.711 -1.651 -8.866 1.00 0.00 O ATOM 1033 CB LEU A 97 -11.176 0.552 -6.875 1.00 0.00 C ATOM 1034 CG LEU A 97 -11.029 0.671 -5.343 1.00 0.00 C ATOM 1035 CD1 LEU A 97 -10.993 2.148 -4.945 1.00 0.00 C ATOM 1036 CD2 LEU A 97 -12.193 -0.029 -4.625 1.00 0.00 C ATOM 0 H LEU A 97 -8.958 -0.484 -7.210 1.00 0.00 H new ATOM 0 HA LEU A 97 -11.468 -1.570 -6.730 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -10.446 1.207 -7.350 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -12.163 0.914 -7.162 1.00 0.00 H new ATOM 0 HG LEU A 97 -10.099 0.186 -5.046 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -10.889 2.231 -3.863 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -10.146 2.635 -5.429 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -11.918 2.632 -5.259 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -12.067 0.069 -3.547 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -13.135 0.432 -4.923 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -12.205 -1.085 -4.895 1.00 0.00 H new ATOM 1048 N TYR A 98 -11.087 -0.447 -9.849 1.00 0.00 N ATOM 1049 CA TYR A 98 -11.661 -0.549 -11.189 1.00 0.00 C ATOM 1050 C TYR A 98 -11.740 -2.012 -11.651 1.00 0.00 C ATOM 1051 O TYR A 98 -12.796 -2.460 -12.095 1.00 0.00 O ATOM 1052 CB TYR A 98 -10.869 0.321 -12.171 1.00 0.00 C ATOM 1053 CG TYR A 98 -11.697 0.799 -13.347 1.00 0.00 C ATOM 1054 CD1 TYR A 98 -11.991 -0.079 -14.406 1.00 0.00 C ATOM 1055 CD2 TYR A 98 -12.181 2.124 -13.375 1.00 0.00 C ATOM 1056 CE1 TYR A 98 -12.754 0.372 -15.498 1.00 0.00 C ATOM 1057 CE2 TYR A 98 -12.935 2.581 -14.474 1.00 0.00 C ATOM 1058 CZ TYR A 98 -13.213 1.701 -15.544 1.00 0.00 C ATOM 1059 OH TYR A 98 -13.891 2.125 -16.644 1.00 0.00 O ATOM 0 H TYR A 98 -10.219 0.086 -9.805 1.00 0.00 H new ATOM 0 HA TYR A 98 -12.684 -0.174 -11.160 1.00 0.00 H new ATOM 0 HB2 TYR A 98 -10.470 1.186 -11.640 1.00 0.00 H new ATOM 0 HB3 TYR A 98 -10.016 -0.246 -12.542 1.00 0.00 H new ATOM 0 HD1 TYR A 98 -11.632 -1.097 -14.381 1.00 0.00 H new ATOM 0 HD2 TYR A 98 -11.973 2.790 -12.551 1.00 0.00 H new ATOM 0 HE1 TYR A 98 -12.989 -0.306 -16.306 1.00 0.00 H new ATOM 0 HE2 TYR A 98 -13.298 3.598 -14.498 1.00 0.00 H new ATOM 0 HH TYR A 98 -14.145 3.065 -16.530 1.00 0.00 H new ATOM 1069 N PHE A 99 -10.656 -2.782 -11.494 1.00 0.00 N ATOM 1070 CA PHE A 99 -10.626 -4.206 -11.838 1.00 0.00 C ATOM 1071 C PHE A 99 -11.720 -5.003 -11.112 1.00 0.00 C ATOM 1072 O PHE A 99 -12.547 -5.651 -11.759 1.00 0.00 O ATOM 1073 CB PHE A 99 -9.234 -4.778 -11.542 1.00 0.00 C ATOM 1074 CG PHE A 99 -9.157 -6.279 -11.752 1.00 0.00 C ATOM 1075 CD1 PHE A 99 -9.111 -6.804 -13.056 1.00 0.00 C ATOM 1076 CD2 PHE A 99 -9.188 -7.153 -10.647 1.00 0.00 C ATOM 1077 CE1 PHE A 99 -9.086 -8.195 -13.258 1.00 0.00 C ATOM 1078 CE2 PHE A 99 -9.165 -8.544 -10.848 1.00 0.00 C ATOM 1079 CZ PHE A 99 -9.114 -9.065 -12.153 1.00 0.00 C ATOM 0 H PHE A 99 -9.773 -2.432 -11.123 1.00 0.00 H new ATOM 0 HA PHE A 99 -10.833 -4.301 -12.904 1.00 0.00 H new ATOM 0 HB2 PHE A 99 -8.501 -4.288 -12.183 1.00 0.00 H new ATOM 0 HB3 PHE A 99 -8.962 -4.546 -10.512 1.00 0.00 H new ATOM 0 HD1 PHE A 99 -9.095 -6.136 -13.905 1.00 0.00 H new ATOM 0 HD2 PHE A 99 -9.229 -6.754 -9.644 1.00 0.00 H new ATOM 0 HE1 PHE A 99 -9.045 -8.595 -14.260 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -9.187 -9.213 -10.000 1.00 0.00 H new ATOM 0 HZ PHE A 99 -9.096 -10.134 -12.307 1.00 0.00 H new ATOM 1089 N LYS A 100 -11.748 -4.943 -9.771 1.00 0.00 N ATOM 1090 CA LYS A 100 -12.751 -5.664 -8.979 1.00 0.00 C ATOM 1091 C LYS A 100 -14.179 -5.200 -9.301 1.00 0.00 C ATOM 1092 O LYS A 100 -15.099 -6.012 -9.296 1.00 0.00 O ATOM 1093 CB LYS A 100 -12.404 -5.592 -7.479 1.00 0.00 C ATOM 1094 CG LYS A 100 -13.025 -4.384 -6.763 1.00 0.00 C ATOM 1095 CD LYS A 100 -12.472 -4.165 -5.348 1.00 0.00 C ATOM 1096 CE LYS A 100 -13.612 -3.878 -4.362 1.00 0.00 C ATOM 1097 NZ LYS A 100 -14.188 -2.524 -4.540 1.00 0.00 N ATOM 0 H LYS A 100 -11.086 -4.402 -9.215 1.00 0.00 H new ATOM 0 HA LYS A 100 -12.724 -6.717 -9.259 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -12.743 -6.506 -6.992 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -11.321 -5.553 -7.366 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -12.847 -3.488 -7.357 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -14.105 -4.520 -6.706 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -11.920 -5.048 -5.027 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -11.768 -3.333 -5.351 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -14.397 -4.623 -4.492 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -13.241 -3.980 -3.342 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -13.835 -1.895 -3.791 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -13.909 -2.147 -5.468 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -15.225 -2.578 -4.486 1.00 0.00 H new ATOM 1111 N TYR A 101 -14.359 -3.912 -9.612 1.00 0.00 N ATOM 1112 CA TYR A 101 -15.642 -3.333 -9.994 1.00 0.00 C ATOM 1113 C TYR A 101 -16.143 -3.876 -11.338 1.00 0.00 C ATOM 1114 O TYR A 101 -17.326 -4.183 -11.465 1.00 0.00 O ATOM 1115 CB TYR A 101 -15.511 -1.806 -10.020 1.00 0.00 C ATOM 1116 CG TYR A 101 -16.802 -1.088 -10.326 1.00 0.00 C ATOM 1117 CD1 TYR A 101 -17.771 -0.952 -9.315 1.00 0.00 C ATOM 1118 CD2 TYR A 101 -17.045 -0.585 -11.619 1.00 0.00 C ATOM 1119 CE1 TYR A 101 -19.002 -0.335 -9.598 1.00 0.00 C ATOM 1120 CE2 TYR A 101 -18.273 0.037 -11.904 1.00 0.00 C ATOM 1121 CZ TYR A 101 -19.259 0.148 -10.900 1.00 0.00 C ATOM 1122 OH TYR A 101 -20.471 0.690 -11.202 1.00 0.00 O ATOM 0 H TYR A 101 -13.598 -3.233 -9.604 1.00 0.00 H new ATOM 0 HA TYR A 101 -16.390 -3.620 -9.255 1.00 0.00 H new ATOM 0 HB2 TYR A 101 -15.138 -1.466 -9.054 1.00 0.00 H new ATOM 0 HB3 TYR A 101 -14.766 -1.527 -10.765 1.00 0.00 H new ATOM 0 HD1 TYR A 101 -17.569 -1.322 -8.321 1.00 0.00 H new ATOM 0 HD2 TYR A 101 -16.292 -0.677 -12.388 1.00 0.00 H new ATOM 0 HE1 TYR A 101 -19.748 -0.231 -8.824 1.00 0.00 H new ATOM 0 HE2 TYR A 101 -18.462 0.430 -12.892 1.00 0.00 H new ATOM 0 HH TYR A 101 -20.478 0.973 -12.140 1.00 0.00 H new ATOM 1132 N LEU A 102 -15.250 -4.059 -12.318 1.00 0.00 N ATOM 1133 CA LEU A 102 -15.596 -4.701 -13.584 1.00 0.00 C ATOM 1134 C LEU A 102 -15.965 -6.181 -13.391 1.00 0.00 C ATOM 1135 O LEU A 102 -16.986 -6.632 -13.915 1.00 0.00 O ATOM 1136 CB LEU A 102 -14.439 -4.546 -14.586 1.00 0.00 C ATOM 1137 CG LEU A 102 -14.210 -3.117 -15.120 1.00 0.00 C ATOM 1138 CD1 LEU A 102 -13.051 -3.166 -16.129 1.00 0.00 C ATOM 1139 CD2 LEU A 102 -15.476 -2.521 -15.750 1.00 0.00 C ATOM 0 H LEU A 102 -14.275 -3.767 -12.253 1.00 0.00 H new ATOM 0 HA LEU A 102 -16.479 -4.203 -13.986 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -13.520 -4.889 -14.110 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -14.624 -5.206 -15.433 1.00 0.00 H new ATOM 0 HG LEU A 102 -13.957 -2.459 -14.288 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -12.868 -2.166 -16.522 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -12.152 -3.530 -15.633 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -13.310 -3.836 -16.948 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -15.264 -1.515 -16.111 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -15.796 -3.146 -16.584 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -16.269 -2.479 -15.003 1.00 0.00 H new ATOM 1151 N LEU A 103 -15.162 -6.936 -12.625 1.00 0.00 N ATOM 1152 CA LEU A 103 -15.436 -8.356 -12.371 1.00 0.00 C ATOM 1153 C LEU A 103 -16.710 -8.564 -11.526 1.00 0.00 C ATOM 1154 O LEU A 103 -17.418 -9.548 -11.735 1.00 0.00 O ATOM 1155 CB LEU A 103 -14.174 -9.066 -11.823 1.00 0.00 C ATOM 1156 CG LEU A 103 -14.167 -9.331 -10.302 1.00 0.00 C ATOM 1157 CD1 LEU A 103 -14.895 -10.641 -9.945 1.00 0.00 C ATOM 1158 CD2 LEU A 103 -12.750 -9.361 -9.719 1.00 0.00 C ATOM 0 H LEU A 103 -14.318 -6.585 -12.172 1.00 0.00 H new ATOM 0 HA LEU A 103 -15.665 -8.842 -13.319 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -14.061 -10.019 -12.340 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -13.302 -8.462 -12.073 1.00 0.00 H new ATOM 0 HG LEU A 103 -14.703 -8.494 -9.855 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -14.867 -10.790 -8.866 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -15.932 -10.583 -10.277 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -14.402 -11.478 -10.440 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -12.802 -9.551 -8.647 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -12.175 -10.152 -10.200 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -12.264 -8.401 -9.895 1.00 0.00 H new